A0A077YZG9_TRITR Loading...

Synaptotagmin-12

AlphaFold DB , UniProt , Accession A0A077YZG9, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 317 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
1M32.5Very low41.5Very low238 Ų238126.5 Ų126.5100%1.17266%0.659SS**  0760-165.5-176.3-74.900106.1
2E31.2Very low41.9Very low200 Ų200129.8 Ų129.894%0.93566%0.664SS**  trans-86.5116.2174.5-76-179130.700106.8E4E2-E4 PolarHBondContact O-N 2.89Å
3Q30.7Very low41.4Very low181 Ų181128.2 Ų128.285%0.84667%0.665SS**  trans-66.4121.1179.1-83173.1-20.600109.5Q5Q3-Q5 PolarHBondContact O-N 2.98Å
4E31Very low41.2Very low198 Ų198124.9 Ų124.993%0.92565%0.653SS**  trans-56.4101.2162.9-87177.6122.300108.6E2 D6E2-E4 PolarHBondContact O-N 2.89Å; E4-D6 PolarHBondContact O-N 3.06Å
5Q34.9Very low40.3Very low184 Ų184130.1 Ų130.186%0.8667%0.668SS**  trans-78.6109.8-179.7-144.9167.519.100108.9Q3 A7Q3-Q5 PolarHBondContact O-N 2.98Å; Q5-A7 PolarHBondContact O-N 3.28Å; Q5-A7 VanDerWaalsContact O-N 3.16Å
6D39.7Very low39.7Very low115 Ų115134.9 Ų134.962%0.61568%0.675SS**  trans-37.3106.3-177-150.4-31000113.6E4 S8 S9E4-D6 PolarHBondContact O-N 3.06Å; D6-S8 PolarHBondContact O-N 2.96Å; D6-S8 PolarHBondContact OD1-OG 3.32Å; D6-S9 PolarHBondContact O-N 3.37Å; D6-S9 PolarHBondContact O-OG 3.43Å
7A47.3Very low39Very low50 Ų50136.6 Ų136.641%0.41369%0.687SS.*G310 helixtrans-64.4-10.6-176.800000113.3Q5 P138Q5-A7 PolarHBondContact O-N 3.28Å; Q5-A7 VanDerWaalsContact O-N 3.16Å; A7-P138 HydrophobicContact CB-CG 4.2Å
8S47.9Very low38.3Very low71 Ų71135 Ų13550%0.49770%0.698SS.*G310 helixtrans-73.9-21.9-18067.80000114D6 V10D6-S8 PolarHBondContact O-N 2.96Å; D6-S8 PolarHBondContact OD1-OG 3.32Å; S8-V10 PolarHBondContact O-N 3.19Å; S8-V10 VanDerWaalsContact O-N 3.17Å
9S50.9Low37.7Very low104 Ų104137.6 Ų137.673%0.72771%0.707SS**G310 helixtrans-73-8.4-171.270.50000115.8D6D6-S9 PolarHBondContact O-N 3.37Å; D6-S9 PolarHBondContact O-OG 3.43Å
10V57.8Low37.1Very low25 Ų25138 Ų13815%0.15272%0.716CS.*G310 helixtrans-77.3-24.2-173.51780000113.1S8 D169S8-V10 PolarHBondContact O-N 3.19Å; S8-V10 VanDerWaalsContact O-N 3.17Å; V10-D169 HydrophobicContact CG1-CB 3.77Å
11F52.6Low36.6Very low25 Ų25136.1 Ų136.111%0.1172%0.715CS.*  trans-113.9126.7-166-56.4-79.4000112.6L136 H139 Q163 I165 V173F11-L136 HydrophobicContact CE1-CB 4.15Å; F11-L136 HydrophobicContact CZ-CB 4.38Å; F11-H139 HydrophobicContact CD2-CB 4.26Å; F11-H139 HydrophobicContact CE2-CB 3.9Å; F11-H139 HydrophobicContact CZ-CB 4.37Å; F11-Q163 HydrophobicContact CD1-CG 4.15Å; F11-I165 HydrophobicContact CD1-CG1 4.41Å; F11-I165 HydrophobicContact CE1-CD1 4.23Å; F11-I165 HydrophobicContact CE1-CG1 4.24Å; F11-V173 HydrophobicContact CZ-CG2 4.27Å
12K46.7Very low36.2Very low166 Ų166130 Ų13072%0.72270%0.695SS**BIsolated β-bridgetrans-115.3121.5166-77.4-177.3177.8179.60109.2Q163K12-Q163 PolarHBondContact O-NE2 3.16Å
13T35.7Very low36.1Very low109 Ų109131.4 Ų131.467%0.66969%0.693SS**  trans-83.4124.7176.2-51.30000109.4
14V37.7Very low35.8Very low83 Ų83130.5 Ų130.550%0.50369%0.692SS.*  trans-119.6110.4167.4179.20000106.7R16V14-R16 HydrophobicContact CG1-CG 4.26Å; V14-R16 PolarHBondContact O-N 3.21Å
15K28.1Very low35.6Very low202 Ų202129.8 Ų129.888%0.87869%0.689SS**  trans-75.2119167.9-87.4-176.6172.1-177.70107.9
16R31Very low35Very low208 Ų208127 Ų12779%0.78569%0.689SS**  trans-123.9134.4160.4-80.9-171-176.4119.9-0.4108.8V14V14-R16 HydrophobicContact CG1-CG 4.26Å; V14-R16 PolarHBondContact O-N 3.21Å
17D27.2Very low34.2Very low163 Ų163126.9 Ų126.987%0.87270%0.697SS**  trans-72138.7175.3-68.7-46.9000110.1Q19D17-Q19 PolarHBondContact O-N 3.02Å; D17-Q19 VanDerWaalsContact O-N 3.11Å
18A26.8Very low33.4Very low108 Ų108129 Ų12989%0.89371%0.709SS**  trans-63.6107.9-175.500000110.8
19Q26Very low32.3Very low184 Ų184135.1 Ų135.186%0.8673%0.729SS**  trans-129121.3159.7-115.9175.8-20.800109.2D17 S21D17-Q19 PolarHBondContact O-N 3.02Å; D17-Q19 VanDerWaalsContact O-N 3.11Å; Q19-S21 PolarHBondContact O-N 3.15Å
20T26Very low31.2Very low145 Ų145141 Ų14189%0.8974%0.735SS**  trans-37.9116.5-176.454.80000114.1
21S26.5Very low30.1Very low99 Ų99145.8 Ų145.869%0.69277%0.767SS**  trans-102.3109.4166.752.60000109.7Q19Q19-S21 PolarHBondContact O-N 3.15Å
22S24.4Very low29.1Very low109 Ų109151.4 Ų151.476%0.76280%0.803SS**PPolyproline II helixtrans-73.6129.8169.560.70000109L24S22-L24 PolarHBondContact O-N 3.35Å
23W30.1Very low28.1Very low231 Ų231149.4 Ų149.488%0.87581%0.805SS**PPolyproline II helixtrans-77.5117.4178.5-74.887.4000109.7
24L24.5Very low27.8Very low161 Ų161150.5 Ų150.584%0.84381%0.807SS**PPolyproline II helixtrans-79.7118.2162.7-89.6133.7000108.6S22 C26S22-L24 PolarHBondContact O-N 3.35Å; L24-C26 PolarHBondContact O-N 3.49Å; L24-C26 VanDerWaalsContact O-N 3.16Å
25E24.9Very low27.4Very low184 Ų184154.8 Ų154.886%0.8683%0.826SS**  trans-55.8111.8171.5-83.5168.414100110.5S27E25-S27 PolarHBondContact O-N 3.1Å
26C23.5Very low27.3Very low125 Ų125152.2 Ų152.285%0.84582%0.821SS**  trans-8686.8171.1-162.80000108.7L24 S28L24-C26 PolarHBondContact O-N 3.49Å; L24-C26 VanDerWaalsContact O-N 3.16Å; C26-S28 PolarHBondContact O-N 3.36Å
27S22.6Very low27.2Very low113 Ų113149 Ų14979%0.7982%0.818SS**  trans-71.8107.4165.8-62.80000109.4E25E25-S27 PolarHBondContact O-N 3.1Å
28S31.1Very low27.4Very low95 Ų95146.4 Ų146.466%0.66481%0.81SS**  trans-143.190.8154.788.50000109.8C26 R30C26-S28 PolarHBondContact O-N 3.36Å; S28-R30 PolarHBondContact O-N 2.83Å
29E24.7Very low27.5Very low198 Ų198150.3 Ų150.393%0.92581%0.81SS**  trans-65124.9162.5-64.7-179.8127.400108.5
30R28.3Very low27.6Very low227 Ų227148.5 Ų148.586%0.85781%0.806SS**  trans-130.5133158.5-80.7-170.7179.3173.31108.4S28S28-R30 PolarHBondContact O-N 2.83Å
31P33.1Very low27.7Very low126 Ų126152.3 Ų152.382%0.81880%0.804SS**  trans-80.2132.8-168.632-32.2000110.5T33P31-T33 PolarHBondContact O-N 3.45Å
32V31.4Very low28Very low143 Ų143155.8 Ų155.887%0.86781%0.814SS**  trans-85.9107173.7178.70000107.6D34V32-D34 PolarHBondContact O-N 3.16Å
33T27.3Very low28.2Very low124 Ų124157.9 Ų157.976%0.76182%0.816SS**  trans-67.2122171.431.20000111.5P31P31-T33 PolarHBondContact O-N 3.45Å
34D27.8Very low28.1Very low133 Ų133150.9 Ų150.971%0.71181%0.807SS**  trans10.8105.8153.3-65.2-33.7000118.6V32 L36V32-D34 PolarHBondContact O-N 3.16Å; D34-L36 HydrophobicContact CB-CD1 4.46Å; D34-L36 HydrophobicContact CB-CG 4.44Å
35L30.8Very low28.2Very low172 Ų172149 Ų14990%0.90180%0.802SS**  trans-10281.7151.8-73172000108.4I37L35-I37 PolarHBondContact O-N 3.03Å
36L26.3Very low28.3Very low148 Ų148146.3 Ų146.378%0.77580%0.799SS**  trans-75.5112.6169-75.9161.3000109.3D34D34-L36 HydrophobicContact CB-CD1 4.46Å; D34-L36 HydrophobicContact CB-CG 4.44Å
37I29Very low28.6Very low141 Ų141145.6 Ų145.672%0.72380%0.795SS**  trans-104.4116.6164.2-59.5175.8000106.9L35L35-I37 PolarHBondContact O-N 3.03Å
38P31.2Very low28.9Very low109 Ų109146.2 Ų146.271%0.70880%0.8SS**  trans-80.5123-174.977000111.3D40P38-D40 PolarHBondContact O-N 3.34Å
39H28.5Very low28.9Very low189 Ų189145 Ų14588%0.87580%0.802SS**  trans-91.483.6165.3-78.3-77.5000109.3
40D28.3Very low29.1Very low147 Ų147141.5 Ų141.579%0.78680%0.799SS**  trans-102.1138.8167.1-101.4-24000110.7P38P38-D40 PolarHBondContact O-N 3.34Å
41R27.6Very low29.3Very low225 Ų225136.1 Ų136.185%0.84980%0.797SS**  trans83.285.3168.7-61.5-170.9163.2-166.3-3.8118.8
42L32.2Very low30Very low172 Ų172135.8 Ų135.890%0.90179%0.794SS**  trans-133.591130.1-74.4177.5000110.1
43L29.9Very low30.1Very low153 Ų153134 Ų13480%0.80179%0.789SS**  trans13.9115144-59.2164.4000116.6
44A27.4Very low30.1Very low84 Ų84133 Ų13369%0.69479%0.787SS**  63.4134.482.700000113.9
45T26.3Very low30.3Very low121 Ų121133.9 Ų133.974%0.74279%0.791SS**  cis-174.9137.4-4.421.80000105.5
46T26.6Very low30.1Very low128 Ų128131 Ų13179%0.78579%0.786SS**  trans39.5128.9140.867.90000122.6
47S30.9Very low30.4Very low110 Ų110129 Ų12977%0.76978%0.784SS**  -171108.6127.545.50000107.9
48S27.5Very low30.3Very low126 Ų126129.7 Ų129.788%0.88179%0.788SS**  72.1113.177720000115
49G30.9Very low30.1Very low69 Ų69130.7 Ų130.771%0.71178%0.783SS**  trans159.983.7165.900000110.5
50S29.7Very low30.1Very low124 Ų124130.9 Ų130.987%0.86779%0.787SS**  78.8114.887.965.40000115.1
51S32.6Very low30.1Very low115 Ų115132.3 Ų132.380%0.80479%0.786SS**  trans-67.1-164.5170.4-35.20000112.7
52P47.7Very low30.2Very low118 Ų118132.7 Ų132.777%0.76679%0.788SS**  cis-138.8177.7-15.435.8-15.5000114.7
53S34.5Very low30.1Very low107 Ų107132.6 Ų132.675%0.74879%0.787SS**  trans176.2109138.338.70000111.5
54S26.8Very low30.4Very low103 Ų103131.8 Ų131.872%0.7279%0.788SS**  56.6106.3102.4-15.50000117.1
55N32.3Very low31.3Very low150 Ų150133 Ų13380%0.80279%0.787SS**  165123.1113-84.5-13.3000114.9
56S26.2Very low32Very low113 Ų113132.8 Ų132.879%0.7978%0.781SS**  trans44.5121140.565.50000122.7
57S32.4Very low32.9Very low106 Ų106130.9 Ų130.974%0.74177%0.77SS**  161.1117.8110.6-175.30000113.2
58L27.7Very low33.8Very low154 Ų154130 Ų13081%0.80676%0.764SS**  trans17.6101.1153.6-62.5161.6000118.1
59E26.7Very low34.6Very low131 Ų131129.5 Ų129.561%0.61276%0.755SS**  79.593.481-159.7171.5174.800115K61E59-K61 HydrophobicContact CG-CD 4.5Å; E59-K61 HydrophobicContact CG-CG 4.13Å; E59-K61 VanDerWaalsContact OE1-CD 3.26Å; E59-K61 WeakPolarHBondContact OE1-CD 3.43Å; E59-K61 WeakPolarHBondContact OE1-CE 3.49Å; E59-K61 IonicContact OE1-NZ 3.98Å; E59-K61 PolarHBondContact OE1-NZ 3.49Å
60M28.1Very low34.8Very low192 Ų192132.3 Ų132.395%0.94675%0.753SS**  trans-12494.4155.2-163.5167.2-144.400107.9R62M60-R62 PolarHBondContact O-N 2.83Å
61K28.6Very low35.3Very low178 Ų178135.5 Ų135.577%0.77475%0.752SS**  trans-66.596.5178.7-82.1169.1163.9146.90110.4E59E59-K61 HydrophobicContact CG-CD 4.5Å; E59-K61 HydrophobicContact CG-CG 4.13Å; E59-K61 VanDerWaalsContact OE1-CD 3.26Å; E59-K61 WeakPolarHBondContact OE1-CD 3.43Å; E59-K61 WeakPolarHBondContact OE1-CE 3.49Å; E59-K61 IonicContact OE1-NZ 3.98Å; E59-K61 PolarHBondContact OE1-NZ 3.49Å
62R28.5Very low36.1Very low232 Ų232135.9 Ų135.988%0.87575%0.751SS**  trans-100.9115.5161.4-162.7167-17895.6-1.4108M60 V64M60-R62 PolarHBondContact O-N 2.83Å; R62-V64 PolarHBondContact O-N 2.98Å; R62-V64 VanDerWaalsContact O-N 3.11Å
63L30.2Very low36.1Very low170 Ų170134.9 Ų134.989%0.8975%0.753SS**  trans-38.5108.7-176.5-74.2143.5000112.4V65L63-V65 PolarHBondContact O-N 3.21Å
64V37.1Very low36.4Very low136 Ų136136.7 Ų136.782%0.82476%0.759SS**  trans-78.1106.3166.31790000105.9R62 D66R62-V64 PolarHBondContact O-N 2.98Å; R62-V64 VanDerWaalsContact O-N 3.11Å; V64-D66 PolarHBondContact O-N 3.03Å
65V47Very low37.3Very low111 Ų111136.3 Ų136.367%0.67376%0.756SS**  trans-60.4117.9165.5174.40000106.2L63 T67L63-V65 PolarHBondContact O-N 3.21Å; V65-T67 VanDerWaalsContact C-N 3.34Å; V65-T67 HydrophobicContact CG1-CG2 4.48Å; V65-T67 PolarHBondContact O-N 3.4Å
66D40.2Very low37.3Very low116 Ų116134.5 Ų134.562%0.6275%0.754SS**  trans-70.192.7179.7-168.1-6.2000109.1V64 S68V64-D66 PolarHBondContact O-N 3.03Å; D66-S68 VanDerWaalsContact CG-OG 3.25Å; D66-S68 PolarHBondContact O-N 3.48Å; D66-S68 WeakPolarHBondContact OD1-CB 3.43Å; D66-S68 PolarHBondContact OD1-N 2.98Å; D66-S68 PolarHBondContact OD1-OG 3.46Å; D66-S68 PolarHBondContact OD2-OG 3.06Å
67T45.2Very low37.7Very low88 Ų88135.7 Ų135.754%0.5475%0.751SS.*G310 helixtrans-76.74.3-179.857.30000112.8V65 T69 L70V65-T67 VanDerWaalsContact C-N 3.34Å; V65-T67 HydrophobicContact CG1-CG2 4.48Å; V65-T67 PolarHBondContact O-N 3.4Å; T67-T69 PolarHBondContact O-N 3.11Å; T67-T69 VanDerWaalsContact O-N 3.07Å; T67-L70 HydrophobicContact CG2-CD1 3.65Å; T67-L70 HydrophobicContact CG2-CG 4.43Å; T67-L70 PolarHBondContact O-N 2.9Å; T67-L70 VanDerWaalsContact O-N 3.11Å
68S51.1Low38Very low92 Ų92135.5 Ų135.564%0.64375%0.75SS**G310 helixtrans-62.6-15.5-178.262.40000114D66D66-S68 VanDerWaalsContact CG-OG 3.25Å; D66-S68 PolarHBondContact O-N 3.48Å; D66-S68 WeakPolarHBondContact OD1-CB 3.43Å; D66-S68 PolarHBondContact OD1-N 2.98Å; D66-S68 PolarHBondContact OD1-OG 3.46Å; D66-S68 PolarHBondContact OD2-OG 3.06Å
69T43.2Very low38.3Very low115 Ų115134.6 Ų134.671%0.70675%0.745SS**G310 helixtrans-108.22.9178.3600000114.3T67 K71T67-T69 PolarHBondContact O-N 3.11Å; T67-T69 VanDerWaalsContact O-N 3.07Å; T69-K71 PolarHBondContact O-N 3.04Å
70L35.2Very low38.7Very low128 Ų128135.1 Ų135.167%0.6775%0.752SS**  trans-70.6103.6175.9-65.1-175.8000109.5T67T67-L70 HydrophobicContact CG2-CD1 3.65Å; T67-L70 HydrophobicContact CG2-CG 4.43Å; T67-L70 PolarHBondContact O-N 2.9Å; T67-L70 VanDerWaalsContact O-N 3.11Å
71K40.6Very low39Very low191 Ų191130.6 Ų130.683%0.8374%0.739SS**PPolyproline II helixtrans-71.2140.2172.8-69.1-178.1179.1177.50109.3T69 A73T69-K71 PolarHBondContact O-N 3.04Å; K71-A73 PolarHBondContact O-N 2.86Å
72P48.8Very low39.4Very low123 Ų123128 Ų12880%0.79973%0.733SS**PPolyproline II helixtrans-54.1134176.1-23.932.3000111.3V74P72-V74 PolarHBondContact O-N 3.44Å
73A48.3Very low39.8Very low96 Ų96119.8 Ų119.879%0.79371%0.711SS**PPolyproline II helixtrans-67126.1164.500000108K71 S75K71-A73 PolarHBondContact O-N 2.86Å; A73-S75 VanDerWaalsContact C-N 3.31Å; A73-S75 PolarHBondContact O-N 2.72Å
74V41Very low40.3Very low146 Ų146116.5 Ų116.589%0.88570%0.702SS**  trans-66.295168.1-860000107.6P72 C76P72-V74 PolarHBondContact O-N 3.44Å; V74-C76 PolarHBondContact O-N 2.64Å
75S44.2Very low40.6Very low94 Ų94114 Ų11466%0.65768%0.683SS**  trans-59.1122.1173.1-177.80000107.9A73 D77A73-S75 VanDerWaalsContact C-N 3.31Å; A73-S75 PolarHBondContact O-N 2.72Å; S75-D77 PolarHBondContact O-N 3.32Å
76C33.3Very low40.4Very low112 Ų112110.7 Ų110.776%0.75767%0.667SS**  trans-55.9135.6169.1-67.20000109V74 S78V74-C76 PolarHBondContact O-N 2.64Å; C76-S78 PolarHBondContact O-N 3.48Å
77D33.7Very low40.5Very low138 Ų138111 Ų11174%0.73867%0.669SS**  trans-54.6104171.2-72.9-44.3000108.3S75 L79S75-D77 PolarHBondContact O-N 3.32Å; D77-L79 HydrophobicContact CB-CD2 3.98Å; D77-L79 HydrophobicContact CB-CG 3.85Å; D77-L79 PolarHBondContact O-N 2.98Å
78S38.9Very low40.3Very low102 Ų102109.3 Ų109.371%0.71366%0.656SS**  trans-71.276161.8-64.80000106.5C76 L80C76-S78 PolarHBondContact O-N 3.48Å; S78-L80 PolarHBondContact O-N 3.48Å
79L34.5Very low40Very low135 Ų135107.3 Ų107.371%0.70764%0.642SS**  trans-61.6110.3173.1-67.7178000107.1D77 S81D77-L79 HydrophobicContact CB-CD2 3.98Å; D77-L79 HydrophobicContact CB-CG 3.85Å; D77-L79 PolarHBondContact O-N 2.98Å; L79-S81 PolarHBondContact O-N 2.77Å
80L34.6Very low39.8Very low142 Ų142103.9 Ų103.974%0.74363%0.63SS**  trans60.751.8153.8-49.5175000115.1S78 L82S78-L80 PolarHBondContact O-N 3.48Å; L80-L82 PolarHBondContact O-N 2.87Å
81S34.2Very low40.1Very low97 Ų97103.6 Ų103.668%0.67863%0.629SS**  trans-6869.7156.2-57.50000109.5L79 S83L79-S81 PolarHBondContact O-N 2.77Å; S81-S83 PolarHBondContact O-N 2.86Å
82L37.1Very low40.6Very low123 Ų12399.9 Ų99.964%0.64461%0.614SS**  trans-75.547158.2-65.4175.2000108.7L80 S84L80-L82 PolarHBondContact O-N 2.87Å; L82-S84 PolarHBondContact O-N 3.25Å
83S38.2Very low41Very low60 Ų6095.3 Ų95.342%0.4259%0.585SS.*  trans-7685.2164.155.30000105.9S81 M85S81-S83 PolarHBondContact O-N 2.86Å; S83-M85 PolarHBondContact O-N 2.99Å
84S40.2Very low42.4Very low101 Ų10193.6 Ų93.671%0.70656%0.563SS**  trans-64.179160-175.30000106.7L82 A86L82-S84 PolarHBondContact O-N 3.25Å; S84-A86 VanDerWaalsContact C-N 3.35Å; S84-A86 PolarHBondContact O-N 2.7Å
85M42.2Very low44.6Very low84 Ų8486.7 Ų86.741%0.41452%0.521SS..  trans-70.499.7174.9-67.5-58.3-67.500106.1S83 W213 F274S83-M85 PolarHBondContact O-N 2.99Å; M85-W213 HydrophobicContact SD-CG 4.46Å; M85-F274 HydrophobicContact CE-CE2 3.93Å; M85-F274 HydrophobicContact CE-CZ 4.22Å
86A44.6Very low46.6Very low41 Ų4182.2 Ų82.234%0.33949%0.49SS..  trans-59143.4172.800000109.6S84 L88 V215S84-A86 VanDerWaalsContact C-N 3.35Å; S84-A86 PolarHBondContact O-N 2.7Å; A86-L88 PolarHBondContact O-N 3.04Å; A86-V215 HydrophobicContact CB-CB 4.11Å; A86-V215 HydrophobicContact CB-CG2 3.25Å
87D40.7Very low49.2Very low124 Ų12477.5 Ų77.566%0.66346%0.457SS*.  trans-60.799.6-174.4-167.7-5.4000110.8S89D87-S89 PolarHBondContact O-N 3.11Å; D87-S89 VanDerWaalsContact O-N 3.09Å; D87-S89 WeakPolarHBondContact OD1-CB 3.34Å; D87-S89 PolarHBondContact OD1-N 3.12Å; D87-S89 PolarHBondContact OD1-OG 3.09Å
88L42.7Very low52Low51 Ų5170.9 Ų70.927%0.26742%0.422SS..THydrogen-bonded Turntrans-75.922.2172.8-69.7172.2000112.2A86 I97 R266A86-L88 PolarHBondContact O-N 3.04Å; L88-I97 HydrophobicContact CD1-CD1 3.84Å; L88-I97 HydrophobicContact CD2-CD1 3.36Å; L88-I97 HydrophobicContact CD2-CG1 3.91Å; L88-I97 HydrophobicContact CG-CD1 3.91Å; L88-R266 VanDerWaalsContact C-NH2 3.25Å; L88-R266 PolarHBondContact O-NH2 3.11Å
89S42.9Very low54.4Low51 Ų5167.3 Ų67.336%0.35739%0.394SS..THydrogen-bonded Turntrans-120.44.4176.469.80000115.4D87D87-S89 PolarHBondContact O-N 3.11Å; D87-S89 VanDerWaalsContact O-N 3.09Å; D87-S89 WeakPolarHBondContact OD1-CB 3.34Å; D87-S89 PolarHBondContact OD1-N 3.12Å; D87-S89 PolarHBondContact OD1-OG 3.09Å
90G40.5Very low57.2Low43 Ų4361 Ų6144%0.44336%0.361SS..SBendtrans-76.1131.7153.300000108.7E92G90-E92 PolarHBondContact O-N 3.3Å
91D41.1Very low59.9Low121 Ų12158.2 Ų58.265%0.64734%0.34SS*.THydrogen-bonded Turntrans-5928.9174.9-98.6-22.5000115.1Q317D91-Q317 PolarHBondContact OD1-NE2 3.11Å; D91-Q317 PolarHBondContact OD2-NE2 3Å
92E50.9Low62.7Low114 Ų11453.7 Ų53.753%0.53331%0.308SS..THydrogen-bonded Turntrans-131.94.3-147.7-67.1-12411400114.3G90 P218 K221G90-E92 PolarHBondContact O-N 3.3Å; E92-P218 WeakPolarHBondContact O-CD 3.35Å; E92-K221 WeakPolarHBondContact OE1-CE 3.38Å; E92-K221 IonicContact OE1-NZ 3.6Å; E92-K221 PolarHBondContact OE1-NZ 3.33Å; E92-K221 IonicContact OE2-NZ 2.77Å; E92-K221 PolarHBondContact OE2-NZ 3.43Å
93S57.2Low65.3Low27 Ų2748.9 Ų48.919%0.18929%0.286CS..  trans-142.464.1175.7-65.10000113.1C95 G96 V215 L216S93-C95 PolarHBondContact O-N 2.93Å; S93-C95 VanDerWaalsContact O-N 3.08Å; S93-G96 PolarHBondContact O-N 3.13Å; S93-V215 WeakPolarHBondContact OG-CG1 3.29Å; S93-L216 VanDerWaalsContact CB-O 3.29Å; S93-L216 WeakPolarHBondContact CB-O 3.41Å; S93-L216 PolarHBondContact OG-O 3.43Å
94D77.6Confident67.9Low60 Ų6047.1 Ų47.132%0.32127%0.271SS..THydrogen-bonded Turntrans-62-6.1165.2-67.7-34000113.2G96 A121 R122 L123D94-G96 VanDerWaalsContact C-N 3.26Å; D94-G96 PolarHBondContact O-N 3.37Å; D94-A121 CarbonylContact O-C 3.58Å; D94-R122 HydrophobicContact CB-CB 4.26Å; D94-R122 PolarHBondContact O-N 2.99Å; D94-R122 IonicContact OD1-CZ 3.1Å; D94-R122 VanDerWaalsContact OD1-CZ 3.25Å; D94-R122 IonicContact OD1-NE 3.07Å; D94-R122 PolarHBondContact OD1-NE 3.39Å; D94-R122 IonicContact OD1-NH2 3.98Å; D94-R122 PolarHBondContact OD1-NH2 2.87Å; D94-L123 HydrophobicContact CB-CD1 4.16Å; D94-L123 HydrophobicContact CB-CD2 3.41Å; D94-L123 VanDerWaalsContact CB-CD2 3.41Å; D94-L123 HydrophobicContact CB-CG 3.4Å; D94-L123 PolarHBondContact O-N 2.83Å
95C86.7Confident70.3Confident0 Ų044.4 Ų44.40%025%0.252CS..THydrogen-bonded Turntrans-76.7-10.6175.6-52.20000113.5S93 L123 M179 V194 L216 P218S93-C95 PolarHBondContact O-N 2.93Å; S93-C95 VanDerWaalsContact O-N 3.08Å; C95-L123 VanDerWaalsContact SG-CD1 3.5Å; C95-M179 HydrophobicContact CB-CE 4.28Å; C95-M179 VanDerWaalsContact O-CE 3.3Å; C95-M179 WeakPolarHBondContact O-CE 3.39Å; C95-V194 PolarHBondContact SG-O 2.85Å; C95-V194 VanDerWaalsContact SG-O 3.41Å; C95-L216 HydrophobicContact CB-CB 3.64Å; C95-L216 WeakPolarHBondContact CB-O 3.42Å; C95-L216 WeakPolarHBondContact O-CD1 3.35Å; C95-P218 WeakPolarHBondContact SG-CA 3.39Å
96G87.2Confident72.6Confident1 Ų146.5 Ų46.51%0.0126%0.255CS..  trans86-170.9177.600000115.5S93 D94 H119 D120 L216S93-G96 PolarHBondContact O-N 3.13Å; D94-G96 VanDerWaalsContact C-N 3.26Å; D94-G96 PolarHBondContact O-N 3.37Å; G96-H119 CarbonylContact C-O 3.47Å; G96-H119 WeakPolarHBondContact CA-O 3.26Å; G96-D120 WeakPolarHBondContact CA-O 3.48Å; G96-D120 PolarHBondContact N-O 3.28Å; G96-L216 WeakPolarHBondContact O-CB 3.41Å; G96-L216 PolarHBondContact O-N 3.36Å
97I87Confident74.9Confident12 Ų1250.2 Ų50.26%0.06228%0.276CS..EExtended strand (participates in β ladder)trans-128.8128.7-177.3-35.8179.7000109.3L88 L118 H119 W213 L214 V215L88-I97 HydrophobicContact CD1-CD1 3.84Å; L88-I97 HydrophobicContact CD2-CD1 3.36Å; L88-I97 HydrophobicContact CD2-CG1 3.91Å; L88-I97 HydrophobicContact CG-CD1 3.91Å; I97-L118 WeakPolarHBondContact O-CA 3.5Å; I97-H119 PolarHBondContact N-O 3.03Å; I97-H119 PolarHBondContact O-N 2.6Å; I97-W213 HydrophobicContact CB-CE3 4.4Å; I97-W213 HydrophobicContact CG2-CB 4.04Å; I97-W213 HydrophobicContact CG2-CE3 3.89Å; I97-L214 WeakPolarHBondContact CA-O 3.34Å; I97-L214 WeakPolarHBondContact CG2-O 3.33Å; I97-V215 HydrophobicContact CD1-CG2 4.23Å; I97-V215 HydrophobicContact CG1-CG2 4.04Å; I97-V215 HydrophobicContact CG2-CG2 3.94Å
98V92.3Very high77.4Confident0 Ų048.2 Ų48.20%027%0.268CS..EExtended strand (participates in β ladder)trans-102.5130176.264.50000110.8V100 Q117 L118 F132 I157 L214 L216V98-V100 HydrophobicContact CG1-CG2 4.13Å; V98-V100 HydrophobicContact CG2-CG2 4.14Å; V98-Q117 WeakPolarHBondContact CA-O 3.41Å; V98-L118 HydrophobicContact CB-CD1 4.4Å; V98-F132 HydrophobicContact CB-CE1 4.28Å; V98-F132 HydrophobicContact CB-CZ 4.31Å; V98-F132 HydrophobicContact CG1-CE1 4.37Å; V98-F132 HydrophobicContact CG2-CE1 4.23Å; V98-F132 HydrophobicContact CG2-CZ 4.16Å; V98-I157 HydrophobicContact CG2-CD1 4.38Å; V98-L214 HydrophobicContact CG1-CB 3.81Å; V98-L214 PolarHBondContact N-O 3.21Å; V98-L214 PolarHBondContact O-N 2.94Å; V98-L216 HydrophobicContact CG1-CD2 4.1Å; V98-L216 HydrophobicContact CG1-CG 4.38Å
99E90.6Very high79.8Confident27 Ų2748.1 Ų48.113%0.12627%0.268CS..EExtended strand (participates in β ladder)trans-84.3120172.9-168.2-17617200109.6L116 Q117 T211 W213E99-L116 HydrophobicContact CB-CB 4.12Å; E99-L116 HydrophobicContact CG-CB 4.16Å; E99-L116 HydrophobicContact CG-CD1 3.85Å; E99-L116 PolarHBondContact O-N 3.31Å; E99-L116 WeakPolarHBondContact OE1-CD1 3.17Å; E99-Q117 HydrophobicContact CB-CG 3.91Å; E99-Q117 PolarHBondContact N-O 3.17Å; E99-Q117 VanDerWaalsContact OE2-CD 3.3Å; E99-Q117 WeakPolarHBondContact OE2-CG 3.38Å; E99-Q117 PolarHBondContact OE2-NE2 3.26Å; E99-T211 HydrophobicContact CG-CG2 3.57Å; E99-T211 WeakPolarHBondContact OE1-CG2 3.46Å; E99-W213 HydrophobicContact CB-CD2 4.25Å; E99-W213 HydrophobicContact CB-CE3 3.95Å; E99-W213 HydrophobicContact CB-CH2 3.71Å; E99-W213 HydrophobicContact CB-CZ2 4.03Å; E99-W213 HydrophobicContact CB-CZ3 3.7Å; E99-W213 VanDerWaalsContact CD-CZ2 3.46Å; E99-W213 HydrophobicContact CG-CD2 4.22Å; E99-W213 HydrophobicContact CG-CE3 4.42Å; E99-W213 HydrophobicContact CG-CH2 3.93Å; E99-W213 HydrophobicContact CG-CZ2 3.72Å; E99-W213 HydrophobicContact CG-CZ3 4.3Å; E99-W213 WeakPolarHBondContact OE2-CH2 3.06Å; E99-W213 WeakPolarHBondContact OE2-CZ2 3.47Å
100V92.8Very high82.3Confident2 Ų246.8 Ų46.81%0.01226%0.257CS..EExtended strand (participates in β ladder)trans-127.1125.9-178.7-178.30000109.7V98 L102 I113 Y114 L115 L175 N212 L214V98-V100 HydrophobicContact CG1-CG2 4.13Å; V98-V100 HydrophobicContact CG2-CG2 4.14Å; V100-L102 HydrophobicContact CG1-CD2 3.77Å; V100-L102 HydrophobicContact CG1-CG 4.24Å; V100-I113 HydrophobicContact CG1-CG2 4Å; V100-Y114 CarbonylContact C-O 3.46Å; V100-Y114 VanDerWaalsContact CA-O 3.29Å; V100-Y114 WeakPolarHBondContact CA-O 3.46Å; V100-L115 HydrophobicContact CG1-CD1 4.38Å; V100-L115 HydrophobicContact CG2-CD1 4.27Å; V100-L115 HydrophobicContact CG2-CG 4.36Å; V100-L175 HydrophobicContact CG1-CD2 4.08Å; V100-N212 PolarHBondContact N-O 3.16Å; V100-N212 PolarHBondContact O-N 3.11Å; V100-L214 HydrophobicContact CB-CD1 4.24Å; V100-L214 HydrophobicContact CG2-CD1 3.81Å; V100-L214 HydrophobicContact CG2-CG 4.31Å
101R91.7Very high84.8Confident84 Ų8444.8 Ų44.832%0.31724%0.235SC..EExtended strand (participates in β ladder)trans-104126.6172.4177-179.970.3-171.61.3110.3Y114 L116 C210R101-Y114 PolarHBondContact N-O 3.49Å; R101-Y114 PolarHBondContact O-N 3.12Å; R101-L116 HydrophobicContact CB-CD1 3.84Å; R101-C210 WeakPolarHBondContact CA-O 3.39Å
102L92.6Very high87.4Confident1 Ų139.7 Ų39.71%0.00521%0.209CC..EExtended strand (participates in β ladder)trans-112.5132178.5-58.3-176.9000109.9V100 S112 I113 L175 L201 L204 S209 C210V100-L102 HydrophobicContact CG1-CD2 3.77Å; V100-L102 HydrophobicContact CG1-CG 4.24Å; L102-S112 WeakPolarHBondContact CA-O 3.5Å; L102-I113 HydrophobicContact CD2-CB 4.04Å; L102-I113 HydrophobicContact CD2-CG1 3.78Å; L102-I113 HydrophobicContact CD2-CG2 3.82Å; L102-L175 HydrophobicContact CD1-CD2 4.49Å; L102-L175 HydrophobicContact CD2-CD2 3.9Å; L102-L201 HydrophobicContact CD1-CD2 3.76Å; L102-L204 HydrophobicContact CD1-CD1 3.31Å; L102-L204 HydrophobicContact CG-CD1 4.5Å; L102-S209 WeakPolarHBondContact O-CA 3.48Å; L102-C210 PolarHBondContact N-O 3.31Å; L102-C210 PolarHBondContact O-N 2.86Å
103A91.4Very high89.5Confident22 Ų2234.2 Ų34.218%0.18218%0.184CC..EExtended strand (participates in β ladder)trans-131.6148.9173.500000109.6S112A103-S112 PolarHBondContact N-O 2.87Å; A103-S112 PolarHBondContact O-N 3.16Å
104Y92.4Very high91.3Very high23 Ų2335 Ų359%0.0918%0.183CC..EExtended strand (participates in β ladder)trans-134.9123.7177.1-177.3-100.1000110.9R106 N109 M110 L111 I165 E167 L170Y104-R106 HydrophobicContact CD1-CG 4.02Å; Y104-R106 HydrophobicContact CE1-CB 4.34Å; Y104-R106 HydrophobicContact CE1-CG 3.81Å; Y104-N109 WeakPolarHBondContact OH-CA 3.48Å; Y104-N109 PolarHBondContact OH-OD1 2.83Å; Y104-N109 VanDerWaalsContact OH-OD1 3.12Å; Y104-M110 CarbonylContact C-O 3.5Å; Y104-M110 WeakPolarHBondContact CA-O 2.89Å; Y104-M110 VanDerWaalsContact CD2-O 3.22Å; Y104-M110 WeakPolarHBondContact CD2-O 3.31Å; Y104-L111 HydrophobicContact CD2-CB 4.15Å; Y104-I165 WeakPolarHBondContact CE2-O 3.26Å; Y104-I165 PolarHBondContact OH-O 2.81Å; Y104-E167 HydrophobicContact CE1-CB 4.11Å; Y104-E167 HydrophobicContact CE1-CG 4.18Å; Y104-E167 WeakPolarHBondContact OH-CA 3.12Å; Y104-E167 PolarHBondContact OH-N 2.7Å; Y104-L170 HydrophobicContact CD1-CD1 3.77Å; Y104-L170 HydrophobicContact CD2-CD1 3.83Å; Y104-L170 HydrophobicContact CD2-CD2 3.89Å; Y104-L170 HydrophobicContact CD2-CG 4.37Å; Y104-L170 HydrophobicContact CE1-CD1 3.71Å; Y104-L170 HydrophobicContact CE2-CD1 3.78Å; Y104-L170 HydrophobicContact CE2-CD2 3.89Å; Y104-L170 HydrophobicContact CE2-CG 4.11Å; Y104-L170 HydrophobicContact CG-CD1 3.82Å
105S91.3Very high92.2Very high45 Ų4532.2 Ų32.232%0.31517%0.168SC..EExtended strand (participates in β ladder)trans-98.7106.3175.7171.50000109.5T108 N109 M110S105-T108 VanDerWaalsContact CB-OG1 3.23Å; S105-T108 WeakPolarHBondContact CB-OG1 3.41Å; S105-T108 PolarHBondContact O-N 2.69Å; S105-T108 PolarHBondContact OG-OG1 3.22Å; S105-N109 WeakPolarHBondContact O-CA 3.41Å; S105-N109 PolarHBondContact O-N 3.2Å; S105-M110 PolarHBondContact N-O 2.98Å; S105-M110 PolarHBondContact O-N 3.45Å; S105-M110 VanDerWaalsContact O-N 3.11Å
106R90.8Very high92.5Very high127 Ų12733.9 Ų33.948%0.47918%0.177SC..THydrogen-bonded Turntrans-58.9-44.1176.2-61.7172.4179.6-114.6-7.1113.1Y104 T108 N109 E167Y104-R106 HydrophobicContact CD1-CG 4.02Å; Y104-R106 HydrophobicContact CE1-CB 4.34Å; Y104-R106 HydrophobicContact CE1-CG 3.81Å; R106-T108 VanDerWaalsContact C-N 3.26Å; R106-T108 PolarHBondContact O-N 3.26Å; R106-N109 PolarHBondContact O-N 2.63Å; R106-E167 IonicContact CZ-OE1 3.64Å; R106-E167 IonicContact CZ-OE2 2.74Å; R106-E167 IonicContact NE-OE1 3.92Å; R106-E167 IonicContact NE-OE2 2.92Å; R106-E167 IonicContact NH1-OE1 2.64Å; R106-E167 PolarHBondContact NH1-OE1 3.16Å; R106-E167 IonicContact NH1-OE2 2.65Å; R106-E167 PolarHBondContact NH1-OE2 3.31Å; R106-E167 IonicContact NH2-OE1 3.93Å; R106-E167 PolarHBondContact NH2-OE1 2.91Å
107P91.8Very high92.8Very high119 Ų11935.5 Ų35.577%0.77318%0.184SC*.THydrogen-bonded Turntrans-60.1-34.6-178.7-25.335.4000113.7
108T93.3Very high93.1Very high83 Ų8335 Ų3551%0.50918%0.181SC..THydrogen-bonded Turntrans-101.5-1.6-17855.80000113.5S105 R106 M110S105-T108 VanDerWaalsContact CB-OG1 3.23Å; S105-T108 WeakPolarHBondContact CB-OG1 3.41Å; S105-T108 PolarHBondContact O-N 2.69Å; S105-T108 PolarHBondContact OG-OG1 3.22Å; R106-T108 VanDerWaalsContact C-N 3.26Å; R106-T108 PolarHBondContact O-N 3.26Å; T108-M110 PolarHBondContact O-N 3.07Å; T108-M110 WeakPolarHBondContact OG1-CB 3.37Å
109N94.2Very high92.7Very high49 Ų4935.4 Ų35.426%0.26218%0.183SC..THydrogen-bonded Turntrans47.342.6-169.7-66-68.6000112.5Y104 S105 R106 C164 I165 F166Y104-N109 WeakPolarHBondContact OH-CA 3.48Å; Y104-N109 PolarHBondContact OH-OD1 2.83Å; Y104-N109 VanDerWaalsContact OH-OD1 3.12Å; S105-N109 WeakPolarHBondContact O-CA 3.41Å; S105-N109 PolarHBondContact O-N 3.2Å; R106-N109 PolarHBondContact O-N 2.63Å; N109-C164 CarbonylContact O-C 3.54Å; N109-C164 VanDerWaalsContact O-CA 3.31Å; N109-C164 WeakPolarHBondContact O-CA 3.27Å; N109-I165 CarbonylContact C-O 3.59Å; N109-I165 PolarHBondContact O-N 3.11Å; N109-I165 VanDerWaalsContact O-O 3.05Å; N109-F166 HydrophobicContact CB-CD1 4.33Å
110M94.6Very high92.3Very high23 Ų2336.7 Ų36.711%0.11319%0.191CC..EExtended strand (participates in β ladder)trans-109.4124-173.8-164.468.482.300110.7Y104 S105 T108 E162 Q163Y104-M110 CarbonylContact C-O 3.5Å; Y104-M110 WeakPolarHBondContact CA-O 2.89Å; Y104-M110 VanDerWaalsContact CD2-O 3.22Å; Y104-M110 WeakPolarHBondContact CD2-O 3.31Å; S105-M110 PolarHBondContact N-O 2.98Å; S105-M110 PolarHBondContact O-N 3.45Å; S105-M110 VanDerWaalsContact O-N 3.11Å; T108-M110 PolarHBondContact O-N 3.07Å; T108-M110 WeakPolarHBondContact OG1-CB 3.37Å; M110-E162 HydrophobicContact CG-CB 4.08Å; M110-E162 HydrophobicContact CG-CG 4.38Å; M110-E162 HydrophobicContact SD-CB 3.8Å; M110-Q163 VanDerWaalsContact SD-C 3.52Å
111L93.9Very high92.1Very high0 Ų037 Ų370%019%0.194CC..EExtended strand (participates in β ladder)trans-93.3121165.5176.471.1000108.6Y104 I113 L136 E162 Q163 I165 L201Y104-L111 HydrophobicContact CD2-CB 4.15Å; L111-I113 HydrophobicContact CD2-CD1 4.14Å; L111-I113 HydrophobicContact CD2-CG1 4.17Å; L111-I113 HydrophobicContact CG-CG1 4.13Å; L111-L136 HydrophobicContact CD2-CD1 4.25Å; L111-L136 HydrophobicContact CD2-CD2 4Å; L111-E162 WeakPolarHBondContact O-CA 3.41Å; L111-Q163 PolarHBondContact N-O 3.46Å; L111-Q163 PolarHBondContact O-N 3.4Å; L111-I165 HydrophobicContact CB-CD1 4.09Å; L111-I165 HydrophobicContact CB-CG1 4.49Å; L111-I165 HydrophobicContact CD2-CD1 3.61Å; L111-L201 HydrophobicContact CD1-CD1 4.36Å; L111-L201 HydrophobicContact CD2-CD1 3.7Å
112S94.5Very high91.8Very high14 Ų1439.7 Ų39.710%0.09820%0.204CC..EExtended strand (participates in β ladder)trans-105.7128.3173.4-47.20000109.5L102 A103 F161 E162L102-S112 WeakPolarHBondContact CA-O 3.5Å; A103-S112 PolarHBondContact N-O 2.87Å; A103-S112 PolarHBondContact O-N 3.16Å; S112-F161 CarbonylContact C-O 3.56Å; S112-F161 WeakPolarHBondContact CA-O 3.5Å; S112-E162 PolarHBondContact OG-OE1 3.02Å
113I95.6Very high91.4Very high0 Ų043.2 Ų43.20%022%0.223CC..EExtended strand (participates in β ladder)trans-118.6116-177.6-55.5161.2000107.5V100 L102 L111 L115 L134 L136 F144 E160 F161 L175V100-I113 HydrophobicContact CG1-CG2 4Å; L102-I113 HydrophobicContact CD2-CB 4.04Å; L102-I113 HydrophobicContact CD2-CG1 3.78Å; L102-I113 HydrophobicContact CD2-CG2 3.82Å; L111-I113 HydrophobicContact CD2-CD1 4.14Å; L111-I113 HydrophobicContact CD2-CG1 4.17Å; L111-I113 HydrophobicContact CG-CG1 4.13Å; I113-L115 HydrophobicContact CG2-CD1 3.8Å; I113-L134 HydrophobicContact CG2-CD1 4.13Å; I113-L136 HydrophobicContact CD1-CD1 4.48Å; I113-L136 HydrophobicContact CD1-CD2 4.14Å; I113-F144 HydrophobicContact CD1-CD2 4.35Å; I113-F144 HydrophobicContact CD1-CE2 4.06Å; I113-E160 CarbonylContact O-C 3.59Å; I113-E160 WeakPolarHBondContact O-CA 3.16Å; I113-F161 HydrophobicContact CB-CB 4.47Å; I113-F161 PolarHBondContact N-O 2.9Å; I113-F161 PolarHBondContact O-N 3.19Å; I113-L175 HydrophobicContact CD1-CD1 4.1Å; I113-L175 HydrophobicContact CG2-CD2 3.97Å
114Y95.3Very high91.3Very high44 Ų4442.5 Ų42.517%0.17322%0.216CC..EExtended strand (participates in β ladder)trans-108.1117.4176.1-64.2-99.1000109.2V100 R101 E159 E160V100-Y114 CarbonylContact C-O 3.46Å; V100-Y114 VanDerWaalsContact CA-O 3.29Å; V100-Y114 WeakPolarHBondContact CA-O 3.46Å; R101-Y114 PolarHBondContact N-O 3.49Å; R101-Y114 PolarHBondContact O-N 3.12Å; Y114-E159 CarbonylContact C-O 3.57Å; Y114-E159 WeakPolarHBondContact CA-O 3.11Å; Y114-E160 HydrophobicContact CD1-CB 3.69Å; Y114-E160 HydrophobicContact CD1-CG 3.81Å; Y114-E160 HydrophobicContact CD2-CG 4.49Å; Y114-E160 HydrophobicContact CE1-CB 3.66Å; Y114-E160 HydrophobicContact CE1-CG 3.46Å; Y114-E160 VanDerWaalsContact CE1-CG 3.46Å; Y114-E160 WeakPolarHBondContact CE1-OE2 3.36Å; Y114-E160 HydrophobicContact CE2-CG 4.19Å; Y114-E160 HydrophobicContact CG-CB 4.44Å; Y114-E160 HydrophobicContact CG-CG 4.32Å; Y114-E160 PolarHBondContact OH-OE1 3.47Å; Y114-E160 PolarHBondContact OH-OE2 2.9Å
115L96.3Very high91Very high0 Ų044.3 Ų44.30%023%0.23CC..EExtended strand (participates in β ladder)trans-88.7112.4166.6-91.964.7000107.8V100 I113 F132 L134 T146 I157 E158 E159V100-L115 HydrophobicContact CG1-CD1 4.38Å; V100-L115 HydrophobicContact CG2-CD1 4.27Å; V100-L115 HydrophobicContact CG2-CG 4.36Å; I113-L115 HydrophobicContact CG2-CD1 3.8Å; L115-F132 HydrophobicContact CD2-CB 3.67Å; L115-F132 HydrophobicContact CD2-CD1 4.29Å; L115-F132 HydrophobicContact CD2-CD2 4.2Å; L115-F132 HydrophobicContact CD2-CG 3.8Å; L115-L134 HydrophobicContact CD1-CD1 3.53Å; L115-L134 HydrophobicContact CD1-CD2 3.97Å; L115-L134 HydrophobicContact CD1-CG 4.39Å; L115-L134 HydrophobicContact CD2-CD1 4.34Å; L115-L134 HydrophobicContact CD2-CD2 3.91Å; L115-T146 HydrophobicContact CD2-CG2 3.76Å; L115-I157 HydrophobicContact CB-CB 4.45Å; L115-I157 HydrophobicContact CB-CG2 3.98Å; L115-E158 CarbonylContact O-C 3.54Å; L115-E158 VanDerWaalsContact O-CA 3.26Å; L115-E158 WeakPolarHBondContact O-CA 3.43Å; L115-E158 PolarHBondContact O-N 3.17Å; L115-E159 PolarHBondContact N-O 3.19Å; L115-E159 PolarHBondContact O-N 3.4Å
116L93.2Very high90.8Very high35 Ų3547.5 Ų47.518%0.18325%0.25CC..EExtended strand (participates in β ladder)trans-90.8-61.4-172.4-70.5159.6000110.5E99 R101 I157 E158E99-L116 HydrophobicContact CB-CB 4.12Å; E99-L116 HydrophobicContact CG-CB 4.16Å; E99-L116 HydrophobicContact CG-CD1 3.85Å; E99-L116 PolarHBondContact O-N 3.31Å; E99-L116 WeakPolarHBondContact OE1-CD1 3.17Å; R101-L116 HydrophobicContact CB-CD1 3.84Å; L116-I157 PolarHBondContact O-N 2.88Å; L116-E158 PolarHBondContact O-N 2.94Å
117Q93.6Very high90.7Very high36 Ų3643.9 Ų43.917%0.16825%0.252CS..EExtended strand (participates in β ladder)trans-159.3156.8-174.149.4-178.73.400112.2V98 E99 H119 T155V98-Q117 WeakPolarHBondContact CA-O 3.41Å; E99-Q117 HydrophobicContact CB-CG 3.91Å; E99-Q117 PolarHBondContact N-O 3.17Å; E99-Q117 VanDerWaalsContact OE2-CD 3.3Å; E99-Q117 WeakPolarHBondContact OE2-CG 3.38Å; E99-Q117 PolarHBondContact OE2-NE2 3.26Å; Q117-H119 WeakPolarHBondContact CG-NE2 3.29Å; Q117-H119 PolarHBondContact NE2-NE2 2.71Å; Q117-H119 VanDerWaalsContact NE2-NE2 3.14Å; Q117-H119 PolarHBondContact OE1-NE2 2.84Å; Q117-T155 CarbonylContact C-O 3.46Å; Q117-T155 WeakPolarHBondContact CA-O 3.44Å; Q117-T155 WeakPolarHBondContact CB-O 3.38Å
118L92.2Very high90.7Very high0 Ų040.8 Ų40.80%023%0.228CC..EExtended strand (participates in β ladder)trans-115.8138.4174.1168.472.3000109.4I97 V98 A121 I130 F132 T154 T155 I157 M179 L216I97-L118 WeakPolarHBondContact O-CA 3.5Å; V98-L118 HydrophobicContact CB-CD1 4.4Å; L118-A121 HydrophobicContact CD1-CB 4.32Å; L118-A121 HydrophobicContact CD2-CB 3.74Å; L118-A121 HydrophobicContact CG-CB 4.06Å; L118-I130 HydrophobicContact CD2-CD1 3.28Å; L118-F132 HydrophobicContact CB-CZ 4.5Å; L118-F132 HydrophobicContact CD1-CZ 4.29Å; L118-F132 HydrophobicContact CD2-CE2 4.37Å; L118-F132 HydrophobicContact CD2-CZ 4.19Å; L118-T154 CarbonylContact O-C 3.59Å; L118-T155 PolarHBondContact N-O 2.86Å; L118-T155 PolarHBondContact O-N 3.32Å; L118-I157 HydrophobicContact CB-CD1 4.28Å; L118-M179 HydrophobicContact CD1-SD 4.25Å; L118-M179 HydrophobicContact CD2-SD 3.42Å; L118-M179 WeakPolarHBondContact CD2-SD 3.41Å; L118-M179 HydrophobicContact CG-SD 4.48Å; L118-L216 HydrophobicContact CD1-CD1 3.69Å
119H84.5Confident90.7Very high9 Ų941.3 Ų41.34%0.04223%0.225CC..EExtended strand (participates in β ladder)trans-128148.7-179.8-68.6-89.1000111.9G96 I97 Q117 A121 T154 W213 T272G96-H119 CarbonylContact C-O 3.47Å; G96-H119 WeakPolarHBondContact CA-O 3.26Å; I97-H119 PolarHBondContact N-O 3.03Å; I97-H119 PolarHBondContact O-N 2.6Å; Q117-H119 WeakPolarHBondContact CG-NE2 3.29Å; Q117-H119 PolarHBondContact NE2-NE2 2.71Å; Q117-H119 VanDerWaalsContact NE2-NE2 3.14Å; Q117-H119 PolarHBondContact OE1-NE2 2.84Å; H119-A121 VanDerWaalsContact C-N 3.28Å; H119-A121 PolarHBondContact O-N 3.09Å; H119-T154 WeakPolarHBondContact CE1-CG2 3.19Å; H119-T154 PolarHBondContact CE1-OG1 2.65Å; H119-T154 VanDerWaalsContact CE1-OG1 3.24Å; H119-T154 PolarHBondContact ND1-OG1 2.77Å; H119-W213 AromaticContact CD2-CH2 3.87Å; H119-W213 AromaticContact CD2-CZ3 3.58Å; H119-W213 AromaticContact NE2-CH2 3.96Å; H119-T272 HydrophobicContact CB-CG2 4.46Å; H119-T272 VanDerWaalsContact CD2-CG2 3.46Å; H119-T272 WeakPolarHBondContact CD2-CG2 3.26Å; H119-T272 WeakPolarHBondContact CE1-CB 3.42Å; H119-T272 WeakPolarHBondContact CE1-CG2 3.34Å; H119-T272 PolarHBondContact CE1-OG1 2.91Å; H119-T272 WeakPolarHBondContact ND1-CB 3.21Å; H119-T272 PolarHBondContact ND1-OG1 2.86Å; H119-T272 WeakPolarHBondContact NE2-CG2 3.06Å
120D83.3Confident90.8Very high55 Ų5539.1 Ų39.129%0.29421%0.214SC..  trans59.135.7168.3-164.927.5000113.9G96 R122 V153G96-D120 WeakPolarHBondContact CA-O 3.48Å; G96-D120 PolarHBondContact N-O 3.28Å; D120-R122 PolarHBondContact O-N 3.38Å; D120-R122 WeakPolarHBondContact OD1-CD 3.19Å; D120-R122 VanDerWaalsContact OD1-CG 3.27Å; D120-R122 WeakPolarHBondContact OD1-CG 3.43Å; D120-R122 IonicContact OD1-CZ 3.6Å; D120-R122 IonicContact OD1-NE 3.88Å; D120-R122 IonicContact OD1-NH1 3.27Å; D120-R122 PolarHBondContact OD1-NH1 2.92Å; D120-R122 IonicContact OD2-CZ 3.25Å; D120-R122 IonicContact OD2-NH1 2.65Å; D120-R122 PolarHBondContact OD2-NH1 3.38Å; D120-V153 PolarHBondContact N-O 3.27Å
121A88Confident91Very high8 Ų838.8 Ų38.87%0.06621%0.211CC..  trans-78.862.9177.400000112.2D94 L118 H119 L123 I124D94-A121 CarbonylContact O-C 3.58Å; L118-A121 HydrophobicContact CD1-CB 4.32Å; L118-A121 HydrophobicContact CD2-CB 3.74Å; L118-A121 HydrophobicContact CG-CB 4.06Å; H119-A121 VanDerWaalsContact C-N 3.28Å; H119-A121 PolarHBondContact O-N 3.09Å; A121-L123 VanDerWaalsContact C-N 3.26Å; A121-L123 PolarHBondContact O-N 3.15Å; A121-I124 HydrophobicContact CB-CD1 4.18Å; A121-I124 PolarHBondContact O-N 2.93Å; A121-I124 VanDerWaalsContact O-N 3.08Å
122R84.3Confident91.2Very high140 Ų14038.9 Ų38.953%0.52821%0.211SC..THydrogen-bonded Turntrans-61.3-23.8-173.6-61.3-170.7-68-95.3-3115.6D94 D120 I124D94-R122 HydrophobicContact CB-CB 4.26Å; D94-R122 PolarHBondContact O-N 2.99Å; D94-R122 IonicContact OD1-CZ 3.1Å; D94-R122 VanDerWaalsContact OD1-CZ 3.25Å; D94-R122 IonicContact OD1-NE 3.07Å; D94-R122 PolarHBondContact OD1-NE 3.39Å; D94-R122 IonicContact OD1-NH2 3.98Å; D94-R122 PolarHBondContact OD1-NH2 2.87Å; D120-R122 PolarHBondContact O-N 3.38Å; D120-R122 WeakPolarHBondContact OD1-CD 3.19Å; D120-R122 VanDerWaalsContact OD1-CG 3.27Å; D120-R122 WeakPolarHBondContact OD1-CG 3.43Å; D120-R122 IonicContact OD1-CZ 3.6Å; D120-R122 IonicContact OD1-NE 3.88Å; D120-R122 IonicContact OD1-NH1 3.27Å; D120-R122 PolarHBondContact OD1-NH1 2.92Å; D120-R122 IonicContact OD2-CZ 3.25Å; D120-R122 IonicContact OD2-NH1 2.65Å; D120-R122 PolarHBondContact OD2-NH1 3.38Å; R122-I124 PolarHBondContact O-N 3.06Å
123L85.1Confident91.3Very high76 Ų7639.5 Ų39.540%0.39821%0.214SC..THydrogen-bonded Turntrans-70.9-15.2175.6-66.4-173.5000113.6D94 C95 A121 V194D94-L123 HydrophobicContact CB-CD1 4.16Å; D94-L123 HydrophobicContact CB-CD2 3.41Å; D94-L123 VanDerWaalsContact CB-CD2 3.41Å; D94-L123 HydrophobicContact CB-CG 3.4Å; D94-L123 PolarHBondContact O-N 2.83Å; C95-L123 VanDerWaalsContact SG-CD1 3.5Å; A121-L123 VanDerWaalsContact C-N 3.26Å; A121-L123 PolarHBondContact O-N 3.15Å; L123-V194 HydrophobicContact CB-CG1 4.03Å; L123-V194 HydrophobicContact CD1-CG1 4.12Å
124I88.7Confident91.4Very high7 Ų739.5 Ų39.54%0.03621%0.214CC..SBendtrans-107.5118.2-177.3-63.8151.2000108.2A121 R122 N128 I130 C151 M179 V194A121-I124 HydrophobicContact CB-CD1 4.18Å; A121-I124 PolarHBondContact O-N 2.93Å; A121-I124 VanDerWaalsContact O-N 3.08Å; R122-I124 PolarHBondContact O-N 3.06Å; I124-N128 HydrophobicContact CG2-CB 3.96Å; I124-I130 HydrophobicContact CD1-CG2 3.65Å; I124-I130 HydrophobicContact CG1-CG2 4.3Å; I124-I130 HydrophobicContact CG2-CG2 3.83Å; I124-C151 HydrophobicContact CB-CB 4.49Å; I124-C151 HydrophobicContact CG2-CB 3.61Å; I124-M179 HydrophobicContact CD1-CE 3.32Å; I124-M179 HydrophobicContact CD1-CG 4.46Å; I124-M179 HydrophobicContact CD1-SD 3.62Å; I124-V194 HydrophobicContact CD1-CG1 4.15Å; I124-V194 HydrophobicContact CD1-CG2 4.3Å; I124-V194 HydrophobicContact CG1-CG1 4.18Å; I124-V194 HydrophobicContact CG1-CG2 4.24Å
125P87.3Confident91.5Very high61 Ų6138.6 Ų38.640%0.39621%0.21SC..  trans-57138.5172.2-24.232.3000111.3G127 N128 L184P125-G127 PolarHBondContact O-N 2.78Å; P125-N128 WeakPolarHBondContact CD-ND2 3.49Å; P125-N128 WeakPolarHBondContact O-CB 3.48Å; P125-N128 PolarHBondContact O-N 2.86Å; P125-L184 HydrophobicContact CG-CD1 4.31Å
126P87.1Confident91.4Very high112 Ų11238.6 Ų38.673%0.72721%0.21SC*.THydrogen-bonded Turntrans-60.4139.9179.425.3-33.6000110.9C151P126-C151 WeakPolarHBondContact CA-O 3.31Å
127G87.4Confident91.4Very high50 Ų5038.7 Ų38.752%0.51521%0.211SC..THydrogen-bonded Turntrans94.9-20.6-175.700000114.5P125 C151P125-G127 PolarHBondContact O-N 2.78Å; G127-C151 PolarHBondContact N-O 3.13Å
128N91.7Very high91.3Very high54 Ų5440.5 Ų40.529%0.28923%0.226SC..  trans-71.2141.3177.3-72.4-14.7000111.8I124 P125 C151 L184I124-N128 HydrophobicContact CG2-CB 3.96Å; P125-N128 WeakPolarHBondContact CD-ND2 3.49Å; P125-N128 WeakPolarHBondContact O-CB 3.48Å; P125-N128 PolarHBondContact O-N 2.86Å; N128-C151 VanDerWaalsContact O-CB 3.28Å; N128-C151 WeakPolarHBondContact O-CB 3.2Å; N128-C151 PolarHBondContact O-N 2.7Å; N128-L184 WeakPolarHBondContact ND2-CD2 3.47Å
129E94.5Very high90.9Very high95 Ų9542.9 Ų42.944%0.44424%0.237SC..EExtended strand (participates in β ladder)trans-76.2132.6179.9-64.8-172.2156.400112P148 I149 T181 H182E129-P148 HydrophobicContact CB-CB 4.35Å; E129-I149 CarbonylContact C-O 3.42Å; E129-I149 WeakPolarHBondContact CA-O 3.38Å; E129-T181 WeakPolarHBondContact O-CA 3.46Å; E129-T181 PolarHBondContact O-OG1 2.74Å; E129-H182 IonicContact OE2-NE2 3.81Å
130I96Very high90.7Very high3 Ų351.3 Ų51.32%0.01528%0.276CS..EExtended strand (participates in β ladder)trans-122.2155.5175.264.1163.9000110.8L118 I124 F132 P148 I149 C151 T155 M179 Y180L118-I130 HydrophobicContact CD2-CD1 3.28Å; I124-I130 HydrophobicContact CD1-CG2 3.65Å; I124-I130 HydrophobicContact CG1-CG2 4.3Å; I124-I130 HydrophobicContact CG2-CG2 3.83Å; I130-F132 HydrophobicContact CD1-CE2 4.29Å; I130-P148 CarbonylContact O-C 3.56Å; I130-P148 WeakPolarHBondContact O-CA 3.5Å; I130-I149 WeakPolarHBondContact CG1-O 3.34Å; I130-I149 PolarHBondContact N-O 3.07Å; I130-I149 PolarHBondContact O-N 2.65Å; I130-C151 HydrophobicContact CD1-CB 4.48Å; I130-C151 HydrophobicContact CG1-CB 4.44Å; I130-C151 HydrophobicContact CG2-CB 3.99Å; I130-T155 HydrophobicContact CD1-CG2 4.05Å; I130-M179 HydrophobicContact CD1-SD 4.28Å; I130-Y180 CarbonylContact C-O 3.56Å; I130-Y180 WeakPolarHBondContact CA-O 3.14Å
131W97.5Very high90.9Very high15 Ų1555.9 Ų55.96%0.05729%0.294CS..EExtended strand (participates in β ladder)trans-150.2160.6169.261.491.8000110.7T146 Y180 H182 A191W131-T146 WeakPolarHBondContact CA-OG1 3.37Å; W131-Y180 VanDerWaalsContact CE2-CB 3.42Å; W131-Y180 PolarHBondContact N-O 3.04Å; W131-Y180 AromaticContact NE1-CG 3.94Å; W131-Y180 PolarHBondContact O-N 3.43Å; W131-H182 AromaticContact CH2-CE1 3.9Å; W131-H182 AromaticContact CH2-NE2 3.91Å; W131-H182 AromaticContact CZ3-CD2 3.63Å; W131-H182 AromaticContact CZ3-NE2 3.55Å; W131-A191 HydrophobicContact CH2-CB 4.16Å; W131-A191 HydrophobicContact CZ2-CB 3.6Å
132F98Very high91Very high2 Ų258.4 Ų58.41%0.00931%0.31CS..EExtended strand (participates in β ladder)trans-108.6140.7177.5-73-98.9000111.5V98 L115 L118 I130 L134 K145 T146 I157 C177 Q178 M179 L216V98-F132 HydrophobicContact CB-CE1 4.28Å; V98-F132 HydrophobicContact CB-CZ 4.31Å; V98-F132 HydrophobicContact CG1-CE1 4.37Å; V98-F132 HydrophobicContact CG2-CE1 4.23Å; V98-F132 HydrophobicContact CG2-CZ 4.16Å; L115-F132 HydrophobicContact CD2-CB 3.67Å; L115-F132 HydrophobicContact CD2-CD1 4.29Å; L115-F132 HydrophobicContact CD2-CD2 4.2Å; L115-F132 HydrophobicContact CD2-CG 3.8Å; L118-F132 HydrophobicContact CB-CZ 4.5Å; L118-F132 HydrophobicContact CD1-CZ 4.29Å; L118-F132 HydrophobicContact CD2-CE2 4.37Å; L118-F132 HydrophobicContact CD2-CZ 4.19Å; I130-F132 HydrophobicContact CD1-CE2 4.29Å; F132-L134 HydrophobicContact CB-CD2 4.33Å; F132-K145 VanDerWaalsContact O-CA 3.31Å; F132-K145 WeakPolarHBondContact O-CA 3.12Å; F132-T146 HydrophobicContact CB-CG2 3.85Å; F132-T146 PolarHBondContact N-OG1 2.77Å; F132-T146 PolarHBondContact O-N 2.96Å; F132-I157 HydrophobicContact CD2-CD1 3.82Å; F132-I157 HydrophobicContact CE2-CD1 3.51Å; F132-I157 HydrophobicContact CZ-CD1 4.32Å; F132-C177 HydrophobicContact CD1-CB 4.45Å; F132-Q178 CarbonylContact C-O 3.56Å; F132-Q178 WeakPolarHBondContact CA-O 3.07Å; F132-M179 HydrophobicContact CD1-CB 4.09Å; F132-M179 HydrophobicContact CE1-CB 3.6Å; F132-M179 HydrophobicContact CE1-CG 4.07Å; F132-M179 HydrophobicContact CE2-CG 4.12Å; F132-M179 HydrophobicContact CE2-SD 4.4Å; F132-M179 HydrophobicContact CZ-CB 3.83Å; F132-M179 HydrophobicContact CZ-CG 3.76Å; F132-M179 HydrophobicContact CZ-SD 3.85Å; F132-L216 HydrophobicContact CE1-CD1 4.07Å; F132-L216 HydrophobicContact CE1-CD2 4.31Å; F132-L216 HydrophobicContact CZ-CD1 4.2Å
133L97.4Very high91.5Very high28 Ų2853.6 Ų53.615%0.14729%0.294CS..EExtended strand (participates in β ladder)trans-106130.3162-62.3-172.8000109F135 P142 K145 Q178 Y180L133-F135 HydrophobicContact CB-CE2 3.73Å; L133-F135 HydrophobicContact CB-CZ 4.36Å; L133-P142 HydrophobicContact CB-CB 4.18Å; L133-P142 HydrophobicContact CD1-CB 4.42Å; L133-P142 HydrophobicContact CD1-CG 4.45Å; L133-P142 HydrophobicContact CD2-CB 4.47Å; L133-K145 HydrophobicContact CD2-CB 3.64Å; L133-K145 HydrophobicContact CD2-CD 3.81Å; L133-K145 HydrophobicContact CD2-CG 3.6Å; L133-Q178 HydrophobicContact CB-CB 4.48Å; L133-Q178 PolarHBondContact N-O 2.77Å; L133-Q178 PolarHBondContact O-N 3.26Å; L133-Y180 HydrophobicContact CB-CD2 4.48Å; L133-Y180 HydrophobicContact CB-CE2 4.19Å; L133-Y180 HydrophobicContact CD1-CD2 4.1Å; L133-Y180 HydrophobicContact CD1-CE2 3.6Å; L133-Y180 HydrophobicContact CG-CD2 3.97Å; L133-Y180 HydrophobicContact CG-CE2 3.86Å
134L97.5Very high92.1Very high0 Ų051.6 Ų51.60%028%0.282CS..EExtended strand (participates in β ladder)trans-112.3126.3179.7-48.4-179.3000110.1I113 L115 F132 L143 F144 F161 L175 L176 C177I113-L134 HydrophobicContact CG2-CD1 4.13Å; L115-L134 HydrophobicContact CD1-CD1 3.53Å; L115-L134 HydrophobicContact CD1-CD2 3.97Å; L115-L134 HydrophobicContact CD1-CG 4.39Å; L115-L134 HydrophobicContact CD2-CD1 4.34Å; L115-L134 HydrophobicContact CD2-CD2 3.91Å; F132-L134 HydrophobicContact CB-CD2 4.33Å; L134-L143 PolarHBondContact O-N 2.82Å; L134-F144 HydrophobicContact CB-CB 4.04Å; L134-F144 HydrophobicContact CB-CD2 4.19Å; L134-F144 HydrophobicContact CD1-CB 4.07Å; L134-F144 HydrophobicContact CD1-CD2 4.36Å; L134-F144 HydrophobicContact CG-CB 4.25Å; L134-F144 PolarHBondContact N-O 3.27Å; L134-F144 PolarHBondContact O-N 3.01Å; L134-F161 HydrophobicContact CD1-CD2 3.51Å; L134-F161 HydrophobicContact CD1-CE2 3.77Å; L134-F161 HydrophobicContact CD1-CG 4.25Å; L134-L175 HydrophobicContact CB-CD1 4.19Å; L134-L176 WeakPolarHBondContact CA-O 3.33Å; L134-C177 HydrophobicContact CD2-CB 4.04Å; L134-C177 VanDerWaalsContact CD2-SG 3.6Å
135F96.8Very high92.5Very high24 Ų2457 Ų5711%0.10531%0.306CS..EExtended strand (participates in β ladder)trans-115.2137.1176.7-55.3-111.5000109L133 L137 P142 L175 L176 Q178L133-F135 HydrophobicContact CB-CE2 3.73Å; L133-F135 HydrophobicContact CB-CZ 4.36Å; F135-L137 HydrophobicContact CB-CD2 4.08Å; F135-P142 HydrophobicContact CD1-CB 4.17Å; F135-P142 HydrophobicContact CD2-CB 4.46Å; F135-P142 HydrophobicContact CE1-CB 3.79Å; F135-P142 VanDerWaalsContact CE1-CD 3.5Å; F135-P142 HydrophobicContact CE1-CG 4.14Å; F135-P142 VanDerWaalsContact CE1-N 3.29Å; F135-P142 HydrophobicContact CE2-CB 4.07Å; F135-P142 HydrophobicContact CG-CB 4.49Å; F135-P142 HydrophobicContact CZ-CB 3.72Å; F135-P142 HydrophobicContact CZ-CG 4.18Å; F135-L175 WeakPolarHBondContact O-CA 3.45Å; F135-L176 HydrophobicContact CB-CB 4.18Å; F135-L176 HydrophobicContact CB-CD2 4.41Å; F135-L176 HydrophobicContact CD2-CD2 4.09Å; F135-L176 HydrophobicContact CD2-CG 4.31Å; F135-L176 HydrophobicContact CG-CD2 4.32Å; F135-L176 PolarHBondContact N-O 2.91Å; F135-L176 PolarHBondContact O-N 3.43Å; F135-Q178 HydrophobicContact CE2-CB 4.44Å; F135-Q178 HydrophobicContact CE2-CG 4.15Å
136L95.7Very high93Very high0 Ų054.4 Ų54.40%029%0.289CS..EExtended strand (participates in β ladder)trans-103.189.9165.6-64.9171.3000108.4F11 L111 I113 H139 L143 F144 Q163 I165 V173 A174 L175F11-L136 HydrophobicContact CE1-CB 4.15Å; F11-L136 HydrophobicContact CZ-CB 4.38Å; L111-L136 HydrophobicContact CD2-CD1 4.25Å; L111-L136 HydrophobicContact CD2-CD2 4Å; I113-L136 HydrophobicContact CD1-CD1 4.48Å; I113-L136 HydrophobicContact CD1-CD2 4.14Å; L136-H139 WeakPolarHBondContact O-CB 3.17Å; L136-H139 PolarHBondContact O-N 2.92Å; L136-L143 HydrophobicContact CB-CD1 3.56Å; L136-L143 HydrophobicContact CD1-CD1 3.57Å; L136-L143 HydrophobicContact CG-CD1 3.74Å; L136-F144 HydrophobicContact CD1-CE2 4.43Å; L136-Q163 HydrophobicContact CD1-CB 3.7Å; L136-Q163 HydrophobicContact CD1-CG 3.63Å; L136-I165 HydrophobicContact CD1-CD1 3.78Å; L136-V173 HydrophobicContact CB-CG1 3.95Å; L136-V173 HydrophobicContact CD2-CG1 3.88Å; L136-V173 HydrophobicContact CG-CG1 4.47Å; L136-A174 CarbonylContact C-O 3.5Å; L136-A174 WeakPolarHBondContact CA-O 3.46Å; L136-L175 HydrophobicContact CD2-CB 4.3Å; L136-L175 HydrophobicContact CD2-CD1 4.04Å
137L93.6Very high93.5Very high37 Ų3756.1 Ų56.119%0.19428%0.284CS..EExtended strand (participates in β ladder)trans-61.8139.7-179.6-57.7179.2000109.6F135 V173 A174 L176F135-L137 HydrophobicContact CB-CD2 4.08Å; L137-V173 WeakPolarHBondContact O-CA 3.32Å; L137-A174 HydrophobicContact CB-CB 4.43Å; L137-A174 PolarHBondContact N-O 3.49Å; L137-A174 PolarHBondContact O-N 2.82Å; L137-L176 HydrophobicContact CD1-CB 4.07Å; L137-L176 HydrophobicContact CD1-CD2 4.33Å; L137-L176 HydrophobicContact CD2-CD2 4.49Å; L137-L176 HydrophobicContact CG-CB 4.26Å
138P90.3Very high93.9Very high74 Ų7456.8 Ų56.848%0.48128%0.28SS..THydrogen-bonded Turncis-87.49.415.936-37.9000115.5A7 Q140A7-P138 HydrophobicContact CB-CG 4.2Å; P138-Q140 PolarHBondContact O-N 2.98Å
139H84.7Confident94.1Very high51 Ų5156.5 Ų56.524%0.23628%0.278CS..  trans-58.8125.9178-162.165.4000110.8F11 L136 K141F11-H139 HydrophobicContact CD2-CB 4.26Å; F11-H139 HydrophobicContact CE2-CB 3.9Å; F11-H139 HydrophobicContact CZ-CB 4.37Å; L136-H139 WeakPolarHBondContact O-CB 3.17Å; L136-H139 PolarHBondContact O-N 2.92Å; H139-K141 VanDerWaalsContact C-N 3.34Å; H139-K141 PolarHBondContact CD2-O 3.48Å; H139-K141 VanDerWaalsContact CD2-O 3.26Å; H139-K141 PolarHBondContact O-N 3.29Å
140Q80.1Confident94.1Very high186 Ų18654.4 Ų54.487%0.86928%0.277SS*.SBendtrans-77.5-19.2-170.2-65.4-177.3-6.600113.7P138P138-Q140 PolarHBondContact O-N 2.98Å
141K88.1Confident94Very high150 Ų15054.4 Ų54.465%0.65228%0.277SS*.SBendtrans-102.8148.6-177.8-65.7-177.9-178.5178.40110.5H139 L143H139-K141 VanDerWaalsContact C-N 3.34Å; H139-K141 PolarHBondContact CD2-O 3.48Å; H139-K141 VanDerWaalsContact CD2-O 3.26Å; H139-K141 PolarHBondContact O-N 3.29Å; K141-L143 PolarHBondContact O-N 3.04Å
142P90.2Very high93.6Very high62 Ų6257.1 Ų57.140%0.40330%0.295SS..  trans-62.4130169.627.5-32.2000108.2L133 F135L133-P142 HydrophobicContact CB-CB 4.18Å; L133-P142 HydrophobicContact CD1-CB 4.42Å; L133-P142 HydrophobicContact CD1-CG 4.45Å; L133-P142 HydrophobicContact CD2-CB 4.47Å; F135-P142 HydrophobicContact CD1-CB 4.17Å; F135-P142 HydrophobicContact CD2-CB 4.46Å; F135-P142 HydrophobicContact CE1-CB 3.79Å; F135-P142 VanDerWaalsContact CE1-CD 3.5Å; F135-P142 HydrophobicContact CE1-CG 4.14Å; F135-P142 VanDerWaalsContact CE1-N 3.29Å; F135-P142 HydrophobicContact CE2-CB 4.07Å; F135-P142 HydrophobicContact CG-CB 4.49Å; F135-P142 HydrophobicContact CZ-CB 3.72Å; F135-P142 HydrophobicContact CZ-CG 4.18Å
143L94.1Very high92.8Very high39 Ų3961.9 Ų61.920%0.20432%0.324CS..  trans-85.8-34.3177.4-73.3172.6000111.1L134 L136 K141 Q163L134-L143 PolarHBondContact O-N 2.82Å; L136-L143 HydrophobicContact CB-CD1 3.56Å; L136-L143 HydrophobicContact CD1-CD1 3.57Å; L136-L143 HydrophobicContact CG-CD1 3.74Å; K141-L143 PolarHBondContact O-N 3.04Å; L143-Q163 HydrophobicContact CD1-CG 4.45Å
144F97.4Very high92.2Very high33 Ų3362.5 Ų62.515%0.14533%0.329CS..EExtended strand (participates in β ladder)trans-132.3151-177.7-48.5-65.5000111.5I113 L134 L136 F161 E162 Q163I113-F144 HydrophobicContact CD1-CD2 4.35Å; I113-F144 HydrophobicContact CD1-CE2 4.06Å; L134-F144 HydrophobicContact CB-CB 4.04Å; L134-F144 HydrophobicContact CB-CD2 4.19Å; L134-F144 HydrophobicContact CD1-CB 4.07Å; L134-F144 HydrophobicContact CD1-CD2 4.36Å; L134-F144 HydrophobicContact CG-CB 4.25Å; L134-F144 PolarHBondContact N-O 3.27Å; L134-F144 PolarHBondContact O-N 3.01Å; L136-F144 HydrophobicContact CD1-CE2 4.43Å; F144-F161 HydrophobicContact CB-CB 4.23Å; F144-F161 HydrophobicContact CB-CD1 3.53Å; F144-F161 HydrophobicContact CB-CD2 4.31Å; F144-F161 HydrophobicContact CB-CE1 3.91Å; F144-F161 HydrophobicContact CB-CG 3.74Å; F144-F161 HydrophobicContact CB-CZ 4.45Å; F144-F161 HydrophobicContact CD1-CB 3.75Å; F144-F161 AromaticContact CD1-CD1 3.67Å; F144-F161 HydrophobicContact CD1-CD1 3.67Å; F144-F161 AromaticContact CD1-CG 3.99Å; F144-F161 HydrophobicContact CD1-CG 3.99Å; F144-F161 HydrophobicContact CD2-CB 3.69Å; F144-F161 HydrophobicContact CD2-CG 4.13Å; F144-F161 HydrophobicContact CE1-CB 3.98Å; F144-F161 HydrophobicContact CE2-CB 3.92Å; F144-F161 HydrophobicContact CG-CB 3.6Å; F144-F161 AromaticContact CG-CD1 3.67Å; F144-F161 HydrophobicContact CG-CD1 3.67Å; F144-F161 AromaticContact CG-CG 3.67Å; F144-F161 HydrophobicContact CG-CG 3.67Å; F144-F161 HydrophobicContact CZ-CB 4.05Å; F144-E162 VanDerWaalsContact CZ-O 3.31Å; F144-E162 WeakPolarHBondContact CZ-O 3.27Å; F144-Q163 HydrophobicContact CE2-CB 4.23Å; F144-Q163 HydrophobicContact CZ-CB 3.9Å
145K97.2Very high91.9Very high122 Ų12262.6 Ų62.653%0.5333%0.33SS..EExtended strand (participates in β ladder)trans-137.6129.1174.5175.2173.5-178.1-175.80107.9F132 L133F132-K145 VanDerWaalsContact O-CA 3.31Å; F132-K145 WeakPolarHBondContact O-CA 3.12Å; L133-K145 HydrophobicContact CD2-CB 3.64Å; L133-K145 HydrophobicContact CD2-CD 3.81Å; L133-K145 HydrophobicContact CD2-CG 3.6Å
146T98Very high91.7Very high6 Ų667.8 Ų67.84%0.03735%0.352CS..PPolyproline II helixtrans-74.4163.7172.668.70000110.7L115 W131 F132 I157 E159 F161L115-T146 HydrophobicContact CD2-CG2 3.76Å; W131-T146 WeakPolarHBondContact CA-OG1 3.37Å; F132-T146 HydrophobicContact CB-CG2 3.85Å; F132-T146 PolarHBondContact N-OG1 2.77Å; F132-T146 PolarHBondContact O-N 2.96Å; T146-I157 HydrophobicContact CG2-CG2 4.05Å; T146-E159 WeakPolarHBondContact CA-OE1 3.45Å; T146-E159 VanDerWaalsContact CB-OE1 3.27Å; T146-E159 WeakPolarHBondContact CB-OE1 3.34Å; T146-F161 HydrophobicContact CG2-CE2 4Å; T146-F161 HydrophobicContact CG2-CZ 3.83Å
147K96.7Very high91.7Very high147 Ų14768.4 Ų68.464%0.63936%0.355SS*.PPolyproline II helixtrans-65.5147.9165.7-60.5174.2-171.1169.50109.4E159K147-E159 WeakPolarHBondContact CB-OE1 3.42Å; K147-E159 PolarHBondContact N-OE1 3.48Å
148P96.1Very high91.8Very high65 Ų6573.1 Ų73.142%0.42238%0.376SS..PPolyproline II helixtrans-60.5134.8167.4-20.533.1000110.4E129 I130E129-P148 HydrophobicContact CB-CB 4.35Å; I130-P148 CarbonylContact O-C 3.56Å; I130-P148 WeakPolarHBondContact O-CA 3.5Å
149I96.6Very high92.1Very high47 Ų4771 Ų7124%0.24136%0.36CS..EExtended strand (participates in β ladder)trans-136.9138.3-179.3-90.5165000109.1E129 I130 C151 T155E129-I149 CarbonylContact C-O 3.42Å; E129-I149 WeakPolarHBondContact CA-O 3.38Å; I130-I149 WeakPolarHBondContact CG1-O 3.34Å; I130-I149 PolarHBondContact N-O 3.07Å; I130-I149 PolarHBondContact O-N 2.65Å; I149-C151 PolarHBondContact O-N 2.7Å; I149-T155 HydrophobicContact CG2-CG2 3.23Å
150A94.9Very high92.7Very high51 Ų5172.9 Ų72.942%0.42137%0.369SS..EExtended strand (participates in β ladder)trans-65.7128175.600000111
151C92.3Very high93.5Very high3 Ų365.1 Ų65.12%0.0233%0.333CS..  trans-70.8130.7179.4-171.60000110.9I124 P126 G127 N128 I130 I149I124-C151 HydrophobicContact CB-CB 4.49Å; I124-C151 HydrophobicContact CG2-CB 3.61Å; P126-C151 WeakPolarHBondContact CA-O 3.31Å; G127-C151 PolarHBondContact N-O 3.13Å; N128-C151 VanDerWaalsContact O-CB 3.28Å; N128-C151 WeakPolarHBondContact O-CB 3.2Å; N128-C151 PolarHBondContact O-N 2.7Å; I130-C151 HydrophobicContact CD1-CB 4.48Å; I130-C151 HydrophobicContact CG1-CB 4.44Å; I130-C151 HydrophobicContact CG2-CB 3.99Å; I149-C151 PolarHBondContact O-N 2.7Å
152T88.9Confident93.9Very high72 Ų7262.6 Ų62.644%0.44232%0.323SS..  trans-129.2173.9171.768.40000108.9T154 T155T152-T154 PolarHBondContact O-N 3.43Å; T152-T154 PolarHBondContact OG1-N 2.99Å; T152-T154 PolarHBondContact OG1-O 3.21Å; T152-T155 PolarHBondContact N-OG1 2.88Å; T152-T155 PolarHBondContact O-OG1 3.04Å; T152-T155 WeakPolarHBondContact OG1-CA 3.1Å; T152-T155 PolarHBondContact OG1-N 3.21Å
153V81.5Confident94.2Very high102 Ų10259.9 Ų59.962%0.61831%0.305SS*.THydrogen-bonded Turntrans-52.9-38.9175.5-178.50000111.6D120D120-V153 PolarHBondContact N-O 3.27Å
154T85.2Confident94.2Very high42 Ų4259.7 Ų59.726%0.25831%0.307SS..EExtended strand (participates in β ladder)trans-12892.9173.5-65.50000108.8L118 H119 T152 K156L118-T154 CarbonylContact O-C 3.59Å; H119-T154 WeakPolarHBondContact CE1-CG2 3.19Å; H119-T154 PolarHBondContact CE1-OG1 2.65Å; H119-T154 VanDerWaalsContact CE1-OG1 3.24Å; H119-T154 PolarHBondContact ND1-OG1 2.77Å; T152-T154 PolarHBondContact O-N 3.43Å; T152-T154 PolarHBondContact OG1-N 2.99Å; T152-T154 PolarHBondContact OG1-O 3.21Å; T154-K156 PolarHBondContact O-N 3.45Å
155T91.6Very high94Very high1 Ų158.2 Ų58.21%0.00630%0.3CS..EExtended strand (participates in β ladder)trans-85.6112.4-176.8-54.90000109.7Q117 L118 I130 I149 T152Q117-T155 CarbonylContact C-O 3.46Å; Q117-T155 WeakPolarHBondContact CA-O 3.44Å; Q117-T155 WeakPolarHBondContact CB-O 3.38Å; L118-T155 PolarHBondContact N-O 2.86Å; L118-T155 PolarHBondContact O-N 3.32Å; I130-T155 HydrophobicContact CD1-CG2 4.05Å; I149-T155 HydrophobicContact CG2-CG2 3.23Å; T152-T155 PolarHBondContact N-OG1 2.88Å; T152-T155 PolarHBondContact O-OG1 3.04Å; T152-T155 WeakPolarHBondContact OG1-CA 3.1Å; T152-T155 PolarHBondContact OG1-N 3.21Å
156K92.6Very high93.8Very high134 Ų13457.7 Ų57.758%0.58330%0.298SS*.EExtended strand (participates in β ladder)trans-81.8123.2176.3-65.5-171.1174.8-166.40110.5T154T154-K156 PolarHBondContact O-N 3.45Å
157I96Very high93.5Very high12 Ų1260.6 Ų60.66%0.06231%0.311CS..EExtended strand (participates in β ladder)trans-103.6-52.8-178.2-56168.2000109.4V98 L115 L116 L118 F132 T146 E159V98-I157 HydrophobicContact CG2-CD1 4.38Å; L115-I157 HydrophobicContact CB-CB 4.45Å; L115-I157 HydrophobicContact CB-CG2 3.98Å; L116-I157 PolarHBondContact O-N 2.88Å; L118-I157 HydrophobicContact CB-CD1 4.28Å; F132-I157 HydrophobicContact CD2-CD1 3.82Å; F132-I157 HydrophobicContact CE2-CD1 3.51Å; F132-I157 HydrophobicContact CZ-CD1 4.32Å; T146-I157 HydrophobicContact CG2-CG2 4.05Å; I157-E159 VanDerWaalsContact C-N 3.33Å; I157-E159 HydrophobicContact CG2-CB 4.29Å; I157-E159 HydrophobicContact CG2-CG 4.27Å; I157-E159 PolarHBondContact O-N 2.84Å
158E94.9Very high93.2Very high136 Ų13660.9 Ų60.964%0.63631%0.312SS*.EExtended strand (participates in β ladder)trans47.846.7175.7-60-179.9176.700114.3L115 L116L115-E158 CarbonylContact O-C 3.54Å; L115-E158 VanDerWaalsContact O-CA 3.26Å; L115-E158 WeakPolarHBondContact O-CA 3.43Å; L115-E158 PolarHBondContact O-N 3.17Å; L116-E158 PolarHBondContact O-N 2.94Å
159E98.1Very high93Very high30 Ų3058.6 Ų58.614%0.1430%0.297CS..EExtended strand (participates in β ladder)trans-111.7142.5177.2-71-168.4-123.200112.3Y114 L115 T146 K147 I157 F161Y114-E159 CarbonylContact C-O 3.57Å; Y114-E159 WeakPolarHBondContact CA-O 3.11Å; L115-E159 PolarHBondContact N-O 3.19Å; L115-E159 PolarHBondContact O-N 3.4Å; T146-E159 WeakPolarHBondContact CA-OE1 3.45Å; T146-E159 VanDerWaalsContact CB-OE1 3.27Å; T146-E159 WeakPolarHBondContact CB-OE1 3.34Å; K147-E159 WeakPolarHBondContact CB-OE1 3.42Å; K147-E159 PolarHBondContact N-OE1 3.48Å; I157-E159 VanDerWaalsContact C-N 3.33Å; I157-E159 HydrophobicContact CG2-CB 4.29Å; I157-E159 HydrophobicContact CG2-CG 4.27Å; I157-E159 PolarHBondContact O-N 2.84Å; E159-F161 HydrophobicContact CB-CE2 3.86Å; E159-F161 HydrophobicContact CB-CZ 3.82Å
160E96Very high92.6Very high90 Ų9057.3 Ų57.342%0.42129%0.29SS..EExtended strand (participates in β ladder)trans-115.1137.3179.3-179.4177.5-171.300111.4I113 Y114I113-E160 CarbonylContact O-C 3.59Å; I113-E160 WeakPolarHBondContact O-CA 3.16Å; Y114-E160 HydrophobicContact CD1-CB 3.69Å; Y114-E160 HydrophobicContact CD1-CG 3.81Å; Y114-E160 HydrophobicContact CD2-CG 4.49Å; Y114-E160 HydrophobicContact CE1-CB 3.66Å; Y114-E160 HydrophobicContact CE1-CG 3.46Å; Y114-E160 VanDerWaalsContact CE1-CG 3.46Å; Y114-E160 WeakPolarHBondContact CE1-OE2 3.36Å; Y114-E160 HydrophobicContact CE2-CG 4.19Å; Y114-E160 HydrophobicContact CG-CB 4.44Å; Y114-E160 HydrophobicContact CG-CG 4.32Å; Y114-E160 PolarHBondContact OH-OE1 3.47Å; Y114-E160 PolarHBondContact OH-OE2 2.9Å
161F97.6Very high92.3Very high24 Ų2463.2 Ų63.211%0.10530%0.302CS..EExtended strand (participates in β ladder)trans-131.8140.7177.2-53.3-76.9000110.8S112 I113 L134 F144 T146 E159S112-F161 CarbonylContact C-O 3.56Å; S112-F161 WeakPolarHBondContact CA-O 3.5Å; I113-F161 HydrophobicContact CB-CB 4.47Å; I113-F161 PolarHBondContact N-O 2.9Å; I113-F161 PolarHBondContact O-N 3.19Å; L134-F161 HydrophobicContact CD1-CD2 3.51Å; L134-F161 HydrophobicContact CD1-CE2 3.77Å; L134-F161 HydrophobicContact CD1-CG 4.25Å; F144-F161 HydrophobicContact CB-CB 4.23Å; F144-F161 HydrophobicContact CB-CD1 3.53Å; F144-F161 HydrophobicContact CB-CD2 4.31Å; F144-F161 HydrophobicContact CB-CE1 3.91Å; F144-F161 HydrophobicContact CB-CG 3.74Å; F144-F161 HydrophobicContact CB-CZ 4.45Å; F144-F161 HydrophobicContact CD1-CB 3.75Å; F144-F161 AromaticContact CD1-CD1 3.67Å; F144-F161 HydrophobicContact CD1-CD1 3.67Å; F144-F161 AromaticContact CD1-CG 3.99Å; F144-F161 HydrophobicContact CD1-CG 3.99Å; F144-F161 HydrophobicContact CD2-CB 3.69Å; F144-F161 HydrophobicContact CD2-CG 4.13Å; F144-F161 HydrophobicContact CE1-CB 3.98Å; F144-F161 HydrophobicContact CE2-CB 3.92Å; F144-F161 HydrophobicContact CG-CB 3.6Å; F144-F161 AromaticContact CG-CD1 3.67Å; F144-F161 HydrophobicContact CG-CD1 3.67Å; F144-F161 AromaticContact CG-CG 3.67Å; F144-F161 HydrophobicContact CG-CG 3.67Å; F144-F161 HydrophobicContact CZ-CB 4.05Å; T146-F161 HydrophobicContact CG2-CE2 4Å; T146-F161 HydrophobicContact CG2-CZ 3.83Å; E159-F161 HydrophobicContact CB-CE2 3.86Å; E159-F161 HydrophobicContact CB-CZ 3.82Å
162E96.3Very high92.3Very high97 Ų9771.4 Ų71.445%0.45333%0.332SS..EExtended strand (participates in β ladder)trans-123.7134.4-179-63.8-162.9130.300111.5M110 L111 S112 F144M110-E162 HydrophobicContact CG-CB 4.08Å; M110-E162 HydrophobicContact CG-CG 4.38Å; M110-E162 HydrophobicContact SD-CB 3.8Å; L111-E162 WeakPolarHBondContact O-CA 3.41Å; S112-E162 PolarHBondContact OG-OE1 3.02Å; F144-E162 VanDerWaalsContact CZ-O 3.31Å; F144-E162 WeakPolarHBondContact CZ-O 3.27Å
163Q96.1Very high92.5Very high5 Ų568.2 Ų68.22%0.02331%0.312CS..EExtended strand (participates in β ladder)trans-132.3128.9173.9-174.95163.500110.8F11 K12 M110 L111 L136 L143 F144 I165F11-Q163 HydrophobicContact CD1-CG 4.15Å; K12-Q163 PolarHBondContact O-NE2 3.16Å; M110-Q163 VanDerWaalsContact SD-C 3.52Å; L111-Q163 PolarHBondContact N-O 3.46Å; L111-Q163 PolarHBondContact O-N 3.4Å; L136-Q163 HydrophobicContact CD1-CB 3.7Å; L136-Q163 HydrophobicContact CD1-CG 3.63Å; L143-Q163 HydrophobicContact CD1-CG 4.45Å; F144-Q163 HydrophobicContact CE2-CB 4.23Å; F144-Q163 HydrophobicContact CZ-CB 3.9Å; Q163-I165 HydrophobicContact CB-CD1 4.49Å; Q163-I165 HydrophobicContact CB-CG1 4.3Å; Q163-I165 HydrophobicContact CG-CD1 4.2Å; Q163-I165 HydrophobicContact CG-CG1 3.79Å; Q163-I165 PolarHBondContact O-N 2.86Å
164C94.9Very high93Very high35 Ų3563.4 Ų63.424%0.23628%0.284CS..EExtended strand (participates in β ladder)trans-67.7118168.2-660000109.8N109N109-C164 CarbonylContact O-C 3.54Å; N109-C164 VanDerWaalsContact O-CA 3.31Å; N109-C164 WeakPolarHBondContact O-CA 3.27Å
165I93.2Very high93.5Very high2 Ų261.4 Ų61.41%0.0127%0.271CS..  trans-141.8127.8175.7-51.1178.8000107.6F11 Y104 N109 L111 L136 Q163 D169 L170 V173F11-I165 HydrophobicContact CD1-CG1 4.41Å; F11-I165 HydrophobicContact CE1-CD1 4.23Å; F11-I165 HydrophobicContact CE1-CG1 4.24Å; Y104-I165 WeakPolarHBondContact CE2-O 3.26Å; Y104-I165 PolarHBondContact OH-O 2.81Å; N109-I165 CarbonylContact C-O 3.59Å; N109-I165 PolarHBondContact O-N 3.11Å; N109-I165 VanDerWaalsContact O-O 3.05Å; L111-I165 HydrophobicContact CB-CD1 4.09Å; L111-I165 HydrophobicContact CB-CG1 4.49Å; L111-I165 HydrophobicContact CD2-CD1 3.61Å; L136-I165 HydrophobicContact CD1-CD1 3.78Å; Q163-I165 HydrophobicContact CB-CD1 4.49Å; Q163-I165 HydrophobicContact CB-CG1 4.3Å; Q163-I165 HydrophobicContact CG-CD1 4.2Å; Q163-I165 HydrophobicContact CG-CG1 3.79Å; Q163-I165 PolarHBondContact O-N 2.86Å; I165-D169 HydrophobicContact CG2-CB 4.08Å; I165-L170 HydrophobicContact CB-CD2 4.31Å; I165-L170 HydrophobicContact CG2-CD2 4.06Å; I165-L170 HydrophobicContact CG2-CG 4.49Å; I165-V173 HydrophobicContact CD1-CG1 4.37Å; I165-V173 HydrophobicContact CG2-CG2 4.38Å
166F93.1Very high93.7Very high110 Ų11062.4 Ų62.448%0.48228%0.276SS..  trans-67.7146.9175.5-66.9-73.5000111.8N109 K168 D169 L170N109-F166 HydrophobicContact CB-CD1 4.33Å; F166-K168 HydrophobicContact CB-CG 4.01Å; F166-K168 PolarHBondContact O-N 3.2Å; F166-K168 VanDerWaalsContact O-N 3.11Å; F166-D169 PolarHBondContact O-N 3.22Å; F166-L170 PolarHBondContact O-N 3.37Å
167E90.9Very high93.8Very high67 Ų6756 Ų5631%0.31325%0.249SC..THydrogen-bonded Turntrans-57-35.5-176.6-171.4-177.8157.400112.5Y104 R106 D169 L170Y104-E167 HydrophobicContact CE1-CB 4.11Å; Y104-E167 HydrophobicContact CE1-CG 4.18Å; Y104-E167 WeakPolarHBondContact OH-CA 3.12Å; Y104-E167 PolarHBondContact OH-N 2.7Å; R106-E167 IonicContact CZ-OE1 3.64Å; R106-E167 IonicContact CZ-OE2 2.74Å; R106-E167 IonicContact NE-OE1 3.92Å; R106-E167 IonicContact NE-OE2 2.92Å; R106-E167 IonicContact NH1-OE1 2.64Å; R106-E167 PolarHBondContact NH1-OE1 3.16Å; R106-E167 IonicContact NH1-OE2 2.65Å; R106-E167 PolarHBondContact NH1-OE2 3.31Å; R106-E167 IonicContact NH2-OE1 3.93Å; R106-E167 PolarHBondContact NH2-OE1 2.91Å; E167-D169 PolarHBondContact O-N 3.26Å; E167-L170 HydrophobicContact CG-CD1 4.29Å; E167-L170 PolarHBondContact O-N 3.12Å
168K90.1Very high93.9Very high153 Ų15356.5 Ų56.567%0.66525%0.25SS*.THydrogen-bonded Turntrans-61.7-30.6176.364.7177.9-177.21750113.2F166F166-K168 HydrophobicContact CB-CG 4.01Å; F166-K168 PolarHBondContact O-N 3.2Å; F166-K168 VanDerWaalsContact O-N 3.11Å
169D92.1Very high93.9Very high18 Ų1850 Ų5010%0.09622%0.22CC..THydrogen-bonded Turntrans-90.8-20-174.2-65.5-48.9000112.4V10 I165 F166 E167 R171 R172 V173V10-D169 HydrophobicContact CG1-CB 3.77Å; I165-D169 HydrophobicContact CG2-CB 4.08Å; F166-D169 PolarHBondContact O-N 3.22Å; E167-D169 PolarHBondContact O-N 3.26Å; D169-R171 PolarHBondContact O-N 3.25Å; D169-R172 WeakPolarHBondContact O-CB 3.49Å; D169-R172 PolarHBondContact O-N 3.49Å; D169-R172 IonicContact OD1-NH1 2.71Å; D169-V173 WeakPolarHBondContact O-CG2 3.18Å; D169-V173 PolarHBondContact O-N 3.35Å
170L89.6Confident93.8Very high19 Ų1950.5 Ų50.510%0.09922%0.221CC..G310 helixtrans-48.9-37.4176.8-72.1175.9000112.7Y104 I165 F166 E167 R172 V173 L201Y104-L170 HydrophobicContact CD1-CD1 3.77Å; Y104-L170 HydrophobicContact CD2-CD1 3.83Å; Y104-L170 HydrophobicContact CD2-CD2 3.89Å; Y104-L170 HydrophobicContact CD2-CG 4.37Å; Y104-L170 HydrophobicContact CE1-CD1 3.71Å; Y104-L170 HydrophobicContact CE2-CD1 3.78Å; Y104-L170 HydrophobicContact CE2-CD2 3.89Å; Y104-L170 HydrophobicContact CE2-CG 4.11Å; Y104-L170 HydrophobicContact CG-CD1 3.82Å; I165-L170 HydrophobicContact CB-CD2 4.31Å; I165-L170 HydrophobicContact CG2-CD2 4.06Å; I165-L170 HydrophobicContact CG2-CG 4.49Å; F166-L170 PolarHBondContact O-N 3.37Å; E167-L170 HydrophobicContact CG-CD1 4.29Å; E167-L170 PolarHBondContact O-N 3.12Å; L170-R172 PolarHBondContact O-N 2.83Å; L170-V173 PolarHBondContact O-N 2.89Å; L170-L201 HydrophobicContact CD2-CD1 3.95Å; L170-L201 WeakPolarHBondContact O-CB 3.41Å
171R88.2Confident93.7Very high176 Ų17646.3 Ų46.366%0.66420%0.202SC*.G310 helixtrans-67.4-19.4-177.2-48.3-174.8-158.4-135.13.2113.6D169 R202D169-R171 PolarHBondContact O-N 3.25Å; R171-R202 HydrophobicContact CB-CB 4.28Å
172R91.6Very high93.4Very high175 Ų17548.9 Ų48.966%0.6621%0.214SC*.G310 helixtrans-98.1-9.7-178.4-58.617467.4-163.33.5112.1D169 L170D169-R172 WeakPolarHBondContact O-CB 3.49Å; D169-R172 PolarHBondContact O-N 3.49Å; D169-R172 IonicContact OD1-NH1 2.71Å; L170-R172 PolarHBondContact O-N 2.83Å
173V92.9Very high92.7Very high4 Ų446 Ų462%0.02420%0.204CC..  trans-96.2143.5-173.7176.90000111.2F11 L136 L137 I165 D169 L170 L201F11-V173 HydrophobicContact CZ-CG2 4.27Å; L136-V173 HydrophobicContact CB-CG1 3.95Å; L136-V173 HydrophobicContact CD2-CG1 3.88Å; L136-V173 HydrophobicContact CG-CG1 4.47Å; L137-V173 WeakPolarHBondContact O-CA 3.32Å; I165-V173 HydrophobicContact CD1-CG1 4.37Å; I165-V173 HydrophobicContact CG2-CG2 4.38Å; D169-V173 WeakPolarHBondContact O-CG2 3.18Å; D169-V173 PolarHBondContact O-N 3.35Å; L170-V173 PolarHBondContact O-N 2.89Å; V173-L201 HydrophobicContact CB-CD1 3.92Å; V173-L201 HydrophobicContact CB-CG 4.38Å; V173-L201 HydrophobicContact CG1-CD1 3.65Å; V173-L201 HydrophobicContact CG1-CG 4.2Å; V173-L201 PolarHBondContact O-N 2.99Å
174A93.1Very high91.6Very high2 Ų249.9 Ų49.92%0.01722%0.224CC..EExtended strand (participates in β ladder)trans-128.3138.6167.100000110.2L136 L137 R198 I199 R200L136-A174 CarbonylContact C-O 3.5Å; L136-A174 WeakPolarHBondContact CA-O 3.46Å; L137-A174 HydrophobicContact CB-CB 4.43Å; L137-A174 PolarHBondContact N-O 3.49Å; L137-A174 PolarHBondContact O-N 2.82Å; A174-R198 HydrophobicContact CB-CG 4.23Å; A174-I199 CarbonylContact C-O 3.49Å; A174-I199 VanDerWaalsContact CA-O 3.31Å; A174-I199 WeakPolarHBondContact CA-O 3.36Å; A174-I199 WeakPolarHBondContact CB-O 3.08Å; A174-R200 HydrophobicContact CB-CB 4.43Å; A174-R200 HydrophobicContact CB-CG 4.11Å
175L95Very high90.7Very high0 Ų051.6 Ų51.60%024%0.237CC..EExtended strand (participates in β ladder)trans-83.5126.1168.6176.762.4000108.6V100 L102 I113 L134 F135 L136 R198 I199 L201V100-L175 HydrophobicContact CG1-CD2 4.08Å; L102-L175 HydrophobicContact CD1-CD2 4.49Å; L102-L175 HydrophobicContact CD2-CD2 3.9Å; I113-L175 HydrophobicContact CD1-CD1 4.1Å; I113-L175 HydrophobicContact CG2-CD2 3.97Å; L134-L175 HydrophobicContact CB-CD1 4.19Å; F135-L175 WeakPolarHBondContact O-CA 3.45Å; L136-L175 HydrophobicContact CD2-CB 4.3Å; L136-L175 HydrophobicContact CD2-CD1 4.04Å; L175-R198 CarbonylContact O-C 3.51Å; L175-R198 VanDerWaalsContact O-CA 3.32Å; L175-R198 WeakPolarHBondContact O-CA 3.35Å; L175-I199 HydrophobicContact CB-CG2 4.02Å; L175-I199 PolarHBondContact N-O 2.93Å; L175-I199 PolarHBondContact O-N 2.92Å; L175-L201 HydrophobicContact CB-CD2 4.42Å
176L95.3Very high89.4Confident22 Ų2260.1 Ų60.112%0.11528%0.283CS..EExtended strand (participates in β ladder)trans-113.9120.4168.8168.371000107.9L134 F135 L137 Q178 Q196 S197 R198L134-L176 WeakPolarHBondContact CA-O 3.33Å; F135-L176 HydrophobicContact CB-CB 4.18Å; F135-L176 HydrophobicContact CB-CD2 4.41Å; F135-L176 HydrophobicContact CD2-CD2 4.09Å; F135-L176 HydrophobicContact CD2-CG 4.31Å; F135-L176 HydrophobicContact CG-CD2 4.32Å; F135-L176 PolarHBondContact N-O 2.91Å; F135-L176 PolarHBondContact O-N 3.43Å; L137-L176 HydrophobicContact CD1-CB 4.07Å; L137-L176 HydrophobicContact CD1-CD2 4.33Å; L137-L176 HydrophobicContact CD2-CD2 4.49Å; L137-L176 HydrophobicContact CG-CB 4.26Å; L176-Q178 HydrophobicContact CD1-CG 4.33Å; L176-Q178 HydrophobicContact CD2-CG 4.29Å; L176-Q178 HydrophobicContact CG-CG 4.1Å; L176-Q196 HydrophobicContact CD1-CB 4.25Å; L176-S197 WeakPolarHBondContact CA-O 3.19Å; L176-R198 HydrophobicContact CD1-CB 4.17Å
177C96Very high87.9Confident0 Ų061 Ų610%029%0.292CS..EExtended strand (participates in β ladder)trans-102.5124.2173.7-59.50000108.5F132 L134 Q196 S197F132-C177 HydrophobicContact CD1-CB 4.45Å; L134-C177 HydrophobicContact CD2-CB 4.04Å; L134-C177 VanDerWaalsContact CD2-SG 3.6Å; C177-Q196 CarbonylContact O-C 3.57Å; C177-Q196 WeakPolarHBondContact O-CA 3.38Å; C177-Q196 WeakPolarHBondContact O-CB 3.37Å; C177-S197 PolarHBondContact N-O 2.76Å; C177-S197 PolarHBondContact O-N 3.43Å
178Q96.7Very high86.5Confident21 Ų2166 Ų6610%0.09831%0.313CS..EExtended strand (participates in β ladder)trans-118.8126.9175.7-71.8-171.3-26.300109.8F132 L133 F135 L176 Y180 L193 Q196F132-Q178 CarbonylContact C-O 3.56Å; F132-Q178 WeakPolarHBondContact CA-O 3.07Å; L133-Q178 HydrophobicContact CB-CB 4.48Å; L133-Q178 PolarHBondContact N-O 2.77Å; L133-Q178 PolarHBondContact O-N 3.26Å; F135-Q178 HydrophobicContact CE2-CB 4.44Å; F135-Q178 HydrophobicContact CE2-CG 4.15Å; L176-Q178 HydrophobicContact CD1-CG 4.33Å; L176-Q178 HydrophobicContact CD2-CG 4.29Å; L176-Q178 HydrophobicContact CG-CG 4.1Å; Q178-Y180 HydrophobicContact CB-CD2 4.24Å; Q178-Y180 HydrophobicContact CB-CE2 3.66Å; Q178-Y180 PolarHBondContact OE1-OH 2.64Å; Q178-L193 HydrophobicContact CB-CD1 3.64Å; Q178-L193 HydrophobicContact CG-CD1 3.97Å; Q178-Q196 HydrophobicContact CB-CB 4.48Å; Q178-Q196 HydrophobicContact CG-CB 3.8Å
179M96.1Very high85.5Confident0 Ų063.1 Ų63.10%032%0.318CS..EExtended strand (participates in β ladder)trans-96.5127177-174.9176.564.300110.2C95 L118 I124 I130 F132 V194 G195 L216C95-M179 HydrophobicContact CB-CE 4.28Å; C95-M179 VanDerWaalsContact O-CE 3.3Å; C95-M179 WeakPolarHBondContact O-CE 3.39Å; L118-M179 HydrophobicContact CD1-SD 4.25Å; L118-M179 HydrophobicContact CD2-SD 3.42Å; L118-M179 WeakPolarHBondContact CD2-SD 3.41Å; L118-M179 HydrophobicContact CG-SD 4.48Å; I124-M179 HydrophobicContact CD1-CE 3.32Å; I124-M179 HydrophobicContact CD1-CG 4.46Å; I124-M179 HydrophobicContact CD1-SD 3.62Å; I130-M179 HydrophobicContact CD1-SD 4.28Å; F132-M179 HydrophobicContact CD1-CB 4.09Å; F132-M179 HydrophobicContact CE1-CB 3.6Å; F132-M179 HydrophobicContact CE1-CG 4.07Å; F132-M179 HydrophobicContact CE2-CG 4.12Å; F132-M179 HydrophobicContact CE2-SD 4.4Å; F132-M179 HydrophobicContact CZ-CB 3.83Å; F132-M179 HydrophobicContact CZ-CG 3.76Å; F132-M179 HydrophobicContact CZ-SD 3.85Å; M179-V194 HydrophobicContact CE-CB 3.76Å; M179-V194 HydrophobicContact CE-CG1 3.59Å; M179-V194 PolarHBondContact O-N 3.4Å; M179-G195 PolarHBondContact N-O 2.93Å; M179-L216 HydrophobicContact CB-CD1 4.14Å; M179-L216 HydrophobicContact CE-CD1 3.96Å; M179-L216 HydrophobicContact SD-CD1 3.91Å
180Y95.6Very high85.2Confident41 Ų4164.8 Ų64.816%0.16133%0.334CS..EExtended strand (participates in β ladder)trans-117.6152.7177.7-74.9-98000110.8I130 W131 L133 Q178 A191 Q192 L193I130-Y180 CarbonylContact C-O 3.56Å; I130-Y180 WeakPolarHBondContact CA-O 3.14Å; W131-Y180 VanDerWaalsContact CE2-CB 3.42Å; W131-Y180 PolarHBondContact N-O 3.04Å; W131-Y180 AromaticContact NE1-CG 3.94Å; W131-Y180 PolarHBondContact O-N 3.43Å; L133-Y180 HydrophobicContact CB-CD2 4.48Å; L133-Y180 HydrophobicContact CB-CE2 4.19Å; L133-Y180 HydrophobicContact CD1-CD2 4.1Å; L133-Y180 HydrophobicContact CD1-CE2 3.6Å; L133-Y180 HydrophobicContact CG-CD2 3.97Å; L133-Y180 HydrophobicContact CG-CE2 3.86Å; Q178-Y180 HydrophobicContact CB-CD2 4.24Å; Q178-Y180 HydrophobicContact CB-CE2 3.66Å; Q178-Y180 PolarHBondContact OE1-OH 2.64Å; Y180-A191 HydrophobicContact CD1-CB 4.09Å; Y180-Q192 VanDerWaalsContact CA-O 3.24Å; Y180-Q192 WeakPolarHBondContact CA-O 3.28Å; Y180-Q192 VanDerWaalsContact CD1-C 3.49Å; Y180-Q192 WeakPolarHBondContact CD1-O 3.46Å; Y180-L193 HydrophobicContact CD1-CB 4.2Å; Y180-L193 HydrophobicContact CD2-CD1 4.16Å; Y180-L193 HydrophobicContact CE1-CB 3.69Å; Y180-L193 HydrophobicContact CE1-CD1 4.29Å; Y180-L193 HydrophobicContact CE2-CD1 3.69Å
181T93.8Very high85.2Confident2 Ų266.7 Ų66.71%0.01235%0.353CS..EExtended strand (participates in β ladder)trans-134.3163.8169-177.60000108.6E129 Q192 V194E129-T181 WeakPolarHBondContact O-CA 3.46Å; E129-T181 PolarHBondContact O-OG1 2.74Å; T181-Q192 HydrophobicContact CG2-CB 4.47Å; T181-Q192 PolarHBondContact N-O 3.27Å; T181-Q192 PolarHBondContact O-N 2.85Å; T181-V194 HydrophobicContact CG2-CG2 3.31Å
182H90.7Very high85.4Confident78 Ų7862.6 Ų62.636%0.36134%0.341SS..EExtended strand (participates in β ladder)trans-63.5142.8162.4-69.9-72.5000110.3E129 W131 L184E129-H182 IonicContact OE2-NE2 3.81Å; W131-H182 AromaticContact CH2-CE1 3.9Å; W131-H182 AromaticContact CH2-NE2 3.91Å; W131-H182 AromaticContact CZ3-CD2 3.63Å; W131-H182 AromaticContact CZ3-NE2 3.55Å; H182-L184 PolarHBondContact O-N 2.83Å
183C82.4Confident85.5Confident36 Ų3656.2 Ų56.224%0.24332%0.32CS..  trans-49.7123.6175.9-163.30000109.8S185 K188 A190C183-S185 VanDerWaalsContact C-N 3.29Å; C183-S185 PolarHBondContact SG-OG 2.76Å; C183-K188 WeakPolarHBondContact CB-O 3.42Å; C183-A190 WeakPolarHBondContact CB-O 3.22Å; C183-A190 PolarHBondContact N-O 2.92Å
184L73.1Confident85.5Confident86 Ų8656.8 Ų56.845%0.4532%0.323SS..SBendtrans-77.8-17-177-59.1-179.2000112.7P125 N128 H182P125-L184 HydrophobicContact CG-CD1 4.31Å; N128-L184 WeakPolarHBondContact ND2-CD2 3.47Å; H182-L184 PolarHBondContact O-N 2.83Å
185S75.3Confident85.4Confident72 Ų7256.7 Ų56.750%0.50332%0.322SS..SBendtrans-85.3144.3174.359.60000110.7C183 D187C183-S185 VanDerWaalsContact C-N 3.29Å; C183-S185 PolarHBondContact SG-OG 2.76Å; S185-D187 PolarHBondContact O-N 3.21Å
186D66.7Low85.4Confident181 Ų18157.5 Ų57.597%0.96833%0.326SS*.SBendtrans-51.8-15.1-178.5-84.3-35.9000115.4K188D186-K188 PolarHBondContact O-N 2.9Å
187D61.4Low85.2Confident129 Ų12957.3 Ų57.369%0.6933%0.327SS*.SBendtrans-88.293.5-176-131.6-16.5000111.8S185S185-D187 PolarHBondContact O-N 3.21Å
188K60.7Low85Confident170 Ų17064 Ų6474%0.73935%0.352SS*.  trans66.7136.8171.9-63.1174.8-179.9171.60115.8C183 D186 A190C183-K188 WeakPolarHBondContact CB-O 3.42Å; D186-K188 PolarHBondContact O-N 2.9Å; K188-A190 PolarHBondContact O-N 2.74Å
189A69.2Low84.7Confident93 Ų9364.5 Ų64.577%0.76936%0.355SS*.  trans-67.345.617300000113.8
190A85.5Confident84.4Confident53 Ų5369.9 Ų69.944%0.43838%0.375SS..  trans-76.7150.5174.300000110.4C183 K188C183-A190 WeakPolarHBondContact CB-O 3.22Å; C183-A190 PolarHBondContact N-O 2.92Å; K188-A190 PolarHBondContact O-N 2.74Å
191A90.5Very high84Confident60 Ų6068.1 Ų68.150%0.49637%0.369SS..EExtended strand (participates in β ladder)trans-76.5131.8171.500000110.2W131 Y180W131-A191 HydrophobicContact CH2-CB 4.16Å; W131-A191 HydrophobicContact CZ2-CB 3.6Å; Y180-A191 HydrophobicContact CD1-CB 4.09Å
192Q91.8Very high83.6Confident90 Ų9075.1 Ų75.142%0.42140%0.395SS..EExtended strand (participates in β ladder)trans-113.7130.4175.3-173.81772900110.3Y180 T181 V194Y180-Q192 VanDerWaalsContact CA-O 3.24Å; Y180-Q192 WeakPolarHBondContact CA-O 3.28Å; Y180-Q192 VanDerWaalsContact CD1-C 3.49Å; Y180-Q192 WeakPolarHBondContact CD1-O 3.46Å; T181-Q192 HydrophobicContact CG2-CB 4.47Å; T181-Q192 PolarHBondContact N-O 3.27Å; T181-Q192 PolarHBondContact O-N 2.85Å; Q192-V194 PolarHBondContact O-N 3.49Å
193L93.6Very high83.1Confident40 Ų4076.3 Ų76.321%0.20940%0.404CS..EExtended strand (participates in β ladder)trans-75.4118171.517864.6000109Q178 Y180 A219Q178-L193 HydrophobicContact CB-CD1 3.64Å; Q178-L193 HydrophobicContact CG-CD1 3.97Å; Y180-L193 HydrophobicContact CD1-CB 4.2Å; Y180-L193 HydrophobicContact CD2-CD1 4.16Å; Y180-L193 HydrophobicContact CE1-CB 3.69Å; Y180-L193 HydrophobicContact CE1-CD1 4.29Å; Y180-L193 HydrophobicContact CE2-CD1 3.69Å; L193-A219 HydrophobicContact CB-CB 4.22Å; L193-A219 HydrophobicContact CD2-CB 3.77Å; L193-A219 HydrophobicContact CG-CB 3.67Å; L193-A219 WeakPolarHBondContact O-CB 3.38Å
194V92.3Very high82.8Confident16 Ų1675.9 Ų75.910%0.09740%0.399CS..EExtended strand (participates in β ladder)trans-91.4-53.3-178.8-1780000110.4C95 L123 I124 M179 T181 Q192 A219C95-V194 PolarHBondContact SG-O 2.85Å; C95-V194 VanDerWaalsContact SG-O 3.41Å; L123-V194 HydrophobicContact CB-CG1 4.03Å; L123-V194 HydrophobicContact CD1-CG1 4.12Å; I124-V194 HydrophobicContact CD1-CG1 4.15Å; I124-V194 HydrophobicContact CD1-CG2 4.3Å; I124-V194 HydrophobicContact CG1-CG1 4.18Å; I124-V194 HydrophobicContact CG1-CG2 4.24Å; M179-V194 HydrophobicContact CE-CB 3.76Å; M179-V194 HydrophobicContact CE-CG1 3.59Å; M179-V194 PolarHBondContact O-N 3.4Å; T181-V194 HydrophobicContact CG2-CG2 3.31Å; Q192-V194 PolarHBondContact O-N 3.49Å; V194-A219 PolarHBondContact O-N 3.08Å; V194-A219 VanDerWaalsContact O-N 3.16Å
195G92.1Very high82.6Confident0 Ų082 Ų820%042%0.416CS..EExtended strand (participates in β ladder)trans-154.9162.4-175.900000112.6M179 S217M179-G195 PolarHBondContact N-O 2.93Å; G195-S217 CarbonylContact C-O 3.58Å; G195-S217 WeakPolarHBondContact CA-O 3.48Å
196Q94Very high82.4Confident17 Ų1779.3 Ų79.38%0.07940%0.396CS..EExtended strand (participates in β ladder)trans-150.1151.1-179.366-169.8-38.200112.6L176 C177 Q178 S217 V222L176-Q196 HydrophobicContact CD1-CB 4.25Å; C177-Q196 CarbonylContact O-C 3.57Å; C177-Q196 WeakPolarHBondContact O-CA 3.38Å; C177-Q196 WeakPolarHBondContact O-CB 3.37Å; Q178-Q196 HydrophobicContact CB-CB 4.48Å; Q178-Q196 HydrophobicContact CG-CB 3.8Å; Q196-S217 PolarHBondContact N-O 3.34Å; Q196-S217 PolarHBondContact O-N 2.81Å; Q196-S217 PolarHBondContact O-OG 2.99Å; Q196-V222 HydrophobicContact CG-CG2 3.99Å
197S91.8Very high82.3Confident19 Ų1975.2 Ų75.213%0.13338%0.378CS..EExtended strand (participates in β ladder)trans-140.1147.7175.8-160.70000110.8L176 C177 V215L176-S197 WeakPolarHBondContact CA-O 3.19Å; C177-S197 PolarHBondContact N-O 2.76Å; C177-S197 PolarHBondContact O-N 3.43Å; S197-V215 WeakPolarHBondContact CB-O 3.46Å; S197-V215 PolarHBondContact OG-O 3.05Å
198R91.5Very high82.7Confident141 Ų14177.1 Ų77.153%0.53238%0.38SS..EExtended strand (participates in β ladder)trans-130.3136.1-176.2-179.2-179.3172.6169.41.6110.3A174 L175 L176A174-R198 HydrophobicContact CB-CG 4.23Å; L175-R198 CarbonylContact O-C 3.51Å; L175-R198 VanDerWaalsContact O-CA 3.32Å; L175-R198 WeakPolarHBondContact O-CA 3.35Å; L176-R198 HydrophobicContact CD1-CB 4.17Å
199I89.9Confident83.3Confident30 Ų3073 Ų7315%0.15437%0.373CS..EExtended strand (participates in β ladder)trans-133.1132.2172-167.6156.4000110.8A174 L175 L204 N212 L214A174-I199 CarbonylContact C-O 3.49Å; A174-I199 VanDerWaalsContact CA-O 3.31Å; A174-I199 WeakPolarHBondContact CA-O 3.36Å; A174-I199 WeakPolarHBondContact CB-O 3.08Å; L175-I199 HydrophobicContact CB-CG2 4.02Å; L175-I199 PolarHBondContact N-O 2.93Å; L175-I199 PolarHBondContact O-N 2.92Å; I199-L204 HydrophobicContact CD1-CD1 3.89Å; I199-L204 HydrophobicContact CD1-CD2 3.63Å; I199-L204 HydrophobicContact CD1-CG 3.98Å; I199-L204 HydrophobicContact CG1-CD1 4Å; I199-L204 HydrophobicContact CG1-CD2 4.29Å; I199-L204 HydrophobicContact CG1-CG 4.13Å; I199-N212 HydrophobicContact CD1-CB 4.46Å; I199-L214 HydrophobicContact CB-CD2 3.9Å; I199-L214 HydrophobicContact CD1-CD2 3.79Å; I199-L214 HydrophobicContact CG1-CD2 4.47Å; I199-L214 HydrophobicContact CG2-CD1 4.2Å; I199-L214 HydrophobicContact CG2-CD2 4.06Å
200R90.1Very high83.5Confident113 Ų11370 Ų7043%0.42635%0.345SS..EExtended strand (participates in β ladder)trans-85.1132.4176.8-57176.8175.1146.2-5.1108.8A174 R202 D203A174-R200 HydrophobicContact CB-CB 4.43Å; A174-R200 HydrophobicContact CB-CG 4.11Å; R200-R202 HydrophobicContact CB-CG 4.21Å; R200-R202 PolarHBondContact O-N 3.12Å; R200-D203 WeakPolarHBondContact CB-OD2 3.16Å; R200-D203 PolarHBondContact O-N 3.41Å
201L88.1Confident83.4Confident5 Ų570.2 Ų70.23%0.02634%0.341CS..G310 helixtrans-67.6-22.9-176.9-57.8-171.9000112.5L102 L111 L170 V173 L175 D203 L204 I206L102-L201 HydrophobicContact CD1-CD2 3.76Å; L111-L201 HydrophobicContact CD1-CD1 4.36Å; L111-L201 HydrophobicContact CD2-CD1 3.7Å; L170-L201 HydrophobicContact CD2-CD1 3.95Å; L170-L201 WeakPolarHBondContact O-CB 3.41Å; V173-L201 HydrophobicContact CB-CD1 3.92Å; V173-L201 HydrophobicContact CB-CG 4.38Å; V173-L201 HydrophobicContact CG1-CD1 3.65Å; V173-L201 HydrophobicContact CG1-CG 4.2Å; V173-L201 PolarHBondContact O-N 2.99Å; L175-L201 HydrophobicContact CB-CD2 4.42Å; L201-D203 VanDerWaalsContact C-N 3.26Å; L201-D203 PolarHBondContact O-N 2.85Å; L201-L204 HydrophobicContact CD2-CD1 4.39Å; L201-L204 PolarHBondContact O-N 2.84Å; L201-I206 HydrophobicContact CB-CD1 3.85Å; L201-I206 HydrophobicContact CD2-CD1 3.91Å; L201-I206 HydrophobicContact CG-CD1 4.29Å
202R84.7Confident83.1Confident148 Ų14868.5 Ų68.556%0.55832%0.324SS*.G310 helixtrans-67.7-24.9173.581-172-178.8-1760.1113.9R171 R200 L204R171-R202 HydrophobicContact CB-CB 4.28Å; R200-R202 HydrophobicContact CB-CG 4.21Å; R200-R202 PolarHBondContact O-N 3.12Å; R202-L204 PolarHBondContact O-N 2.85Å
203D80.3Confident82.8Confident104 Ų10466 Ų6656%0.55631%0.311SS*.G310 helixtrans-83.2-5.2-178.9-56.7-17.8000110.2R200 L201R200-D203 WeakPolarHBondContact CB-OD2 3.16Å; R200-D203 PolarHBondContact O-N 3.41Å; L201-D203 VanDerWaalsContact C-N 3.26Å; L201-D203 PolarHBondContact O-N 2.85Å
204L75.9Confident82.5Confident26 Ų2664.6 Ų64.614%0.13630%0.303CS..SBendtrans-108.2136.9-179.5-63.6178.1000111.3L102 I199 L201 R202 I206 N212L102-L204 HydrophobicContact CD1-CD1 3.31Å; L102-L204 HydrophobicContact CG-CD1 4.5Å; I199-L204 HydrophobicContact CD1-CD1 3.89Å; I199-L204 HydrophobicContact CD1-CD2 3.63Å; I199-L204 HydrophobicContact CD1-CG 3.98Å; I199-L204 HydrophobicContact CG1-CD1 4Å; I199-L204 HydrophobicContact CG1-CD2 4.29Å; I199-L204 HydrophobicContact CG1-CG 4.13Å; L201-L204 HydrophobicContact CD2-CD1 4.39Å; L201-L204 PolarHBondContact O-N 2.84Å; R202-L204 PolarHBondContact O-N 2.85Å; L204-I206 HydrophobicContact CB-CD1 4.02Å; L204-I206 HydrophobicContact CB-CG1 3.48Å; L204-I206 VanDerWaalsContact CB-CG1 3.48Å; L204-I206 HydrophobicContact CD1-CD1 4.25Å; L204-I206 HydrophobicContact CD1-CG1 4.35Å; L204-I206 PolarHBondContact O-N 2.9Å; L204-N212 WeakPolarHBondContact CD2-OD1 3.13Å
205R69.9Low82.2Confident215 Ų21565.4 Ų65.481%0.81131%0.308SS*.  trans-82.670.3167.7-69.2-174.6179173.30.3110.1T207R205-T207 PolarHBondContact O-N 2.91Å
206I69.5Low82Confident15 Ų1565.4 Ų65.48%0.07731%0.308CS..THydrogen-bonded Turntrans-75.848179.3-37.1175.8000111L201 L204L201-I206 HydrophobicContact CB-CD1 3.85Å; L201-I206 HydrophobicContact CD2-CD1 3.91Å; L201-I206 HydrophobicContact CG-CD1 4.29Å; L204-I206 HydrophobicContact CB-CD1 4.02Å; L204-I206 HydrophobicContact CB-CG1 3.48Å; L204-I206 VanDerWaalsContact CB-CG1 3.48Å; L204-I206 HydrophobicContact CD1-CD1 4.25Å; L204-I206 HydrophobicContact CD1-CG1 4.35Å; L204-I206 PolarHBondContact O-N 2.9Å
207T66.5Low81.5Confident95 Ų9566.4 Ų66.458%0.58332%0.317SS*.THydrogen-bonded Turntrans-91.9-20.9172.751.80000111.9R205R205-T207 PolarHBondContact O-N 2.91Å
208K69Low81.3Confident170 Ų17066.5 Ų66.574%0.73932%0.317SS*.SBendtrans-140158.4172.4-65.6-174.5178.1-176.40107.1C210K208-C210 PolarHBondContact O-N 3.22Å
209S72Confident80.7Confident84 Ų8460.4 Ų60.459%0.58730%0.297SS*.  trans-52.3129.2176.8490000109.8L102L102-S209 WeakPolarHBondContact O-CA 3.48Å
210C74.4Confident79.7Confident28 Ų2863.3 Ų63.319%0.18932%0.32CS..EExtended strand (participates in β ladder)trans-130.6128.5179.961.40000109.9R101 L102 K208 N212R101-C210 WeakPolarHBondContact CA-O 3.39Å; L102-C210 PolarHBondContact N-O 3.31Å; L102-C210 PolarHBondContact O-N 2.86Å; K208-C210 PolarHBondContact O-N 3.22Å; C210-N212 PolarHBondContact O-ND2 3.19Å
211T84.5Confident78.2Confident58 Ų5861.4 Ų61.436%0.35632%0.315SS..EExtended strand (participates in β ladder)trans-86.2133.1173.2-62.50000109.1E99E99-T211 HydrophobicContact CG-CG2 3.57Å; E99-T211 WeakPolarHBondContact OE1-CG2 3.46Å
212N83.5Confident76.6Confident24 Ų2463.7 Ų63.713%0.12833%0.329CS..EExtended strand (participates in β ladder)trans-129.5141.2-179.5-63.2-88.8000109.4V100 I199 L204 C210 L214V100-N212 PolarHBondContact N-O 3.16Å; V100-N212 PolarHBondContact O-N 3.11Å; I199-N212 HydrophobicContact CD1-CB 4.46Å; L204-N212 WeakPolarHBondContact CD2-OD1 3.13Å; C210-N212 PolarHBondContact O-ND2 3.19Å; N212-L214 HydrophobicContact CB-CD2 4.48Å
213W84.4Confident74.7Confident39 Ų3964.2 Ų64.215%0.14834%0.338CS..EExtended strand (participates in β ladder)trans-102115.3174.2-70.390.5000108.9M85 I97 E99 H119 V271 T272M85-W213 HydrophobicContact SD-CG 4.46Å; I97-W213 HydrophobicContact CB-CE3 4.4Å; I97-W213 HydrophobicContact CG2-CB 4.04Å; I97-W213 HydrophobicContact CG2-CE3 3.89Å; E99-W213 HydrophobicContact CB-CD2 4.25Å; E99-W213 HydrophobicContact CB-CE3 3.95Å; E99-W213 HydrophobicContact CB-CH2 3.71Å; E99-W213 HydrophobicContact CB-CZ2 4.03Å; E99-W213 HydrophobicContact CB-CZ3 3.7Å; E99-W213 VanDerWaalsContact CD-CZ2 3.46Å; E99-W213 HydrophobicContact CG-CD2 4.22Å; E99-W213 HydrophobicContact CG-CE3 4.42Å; E99-W213 HydrophobicContact CG-CH2 3.93Å; E99-W213 HydrophobicContact CG-CZ2 3.72Å; E99-W213 HydrophobicContact CG-CZ3 4.3Å; E99-W213 WeakPolarHBondContact OE2-CH2 3.06Å; E99-W213 WeakPolarHBondContact OE2-CZ2 3.47Å; H119-W213 AromaticContact CD2-CH2 3.87Å; H119-W213 AromaticContact CD2-CZ3 3.58Å; H119-W213 AromaticContact NE2-CH2 3.96Å; W213-V271 HydrophobicContact CH2-CG1 4.46Å; W213-V271 HydrophobicContact CZ2-CG1 3.97Å; W213-T272 HydrophobicContact CH2-CG2 3.23Å; W213-T272 HydrophobicContact CZ2-CG2 4.04Å; W213-T272 HydrophobicContact CZ3-CG2 3.69Å
214L87.7Confident72.8Confident9 Ų963 Ų635%0.04733%0.331CS..EExtended strand (participates in β ladder)trans-104.9111-177.2-58.1-174.9000109.6I97 V98 V100 I199 N212 L216I97-L214 WeakPolarHBondContact CA-O 3.34Å; I97-L214 WeakPolarHBondContact CG2-O 3.33Å; V98-L214 HydrophobicContact CG1-CB 3.81Å; V98-L214 PolarHBondContact N-O 3.21Å; V98-L214 PolarHBondContact O-N 2.94Å; V100-L214 HydrophobicContact CB-CD1 4.24Å; V100-L214 HydrophobicContact CG2-CD1 3.81Å; V100-L214 HydrophobicContact CG2-CG 4.31Å; I199-L214 HydrophobicContact CB-CD2 3.9Å; I199-L214 HydrophobicContact CD1-CD2 3.79Å; I199-L214 HydrophobicContact CG1-CD2 4.47Å; I199-L214 HydrophobicContact CG2-CD1 4.2Å; I199-L214 HydrophobicContact CG2-CD2 4.06Å; N212-L214 HydrophobicContact CB-CD2 4.48Å; L214-L216 PolarHBondContact O-N 3.43Å
215V85.5Confident71.4Confident33 Ų3366.6 Ų66.620%0.235%0.354CS..EExtended strand (participates in β ladder)trans-72.6126.3173.61740000109.6A86 S93 I97 S197A86-V215 HydrophobicContact CB-CB 4.11Å; A86-V215 HydrophobicContact CB-CG2 3.25Å; S93-V215 WeakPolarHBondContact OG-CG1 3.29Å; I97-V215 HydrophobicContact CD1-CG2 4.23Å; I97-V215 HydrophobicContact CG1-CG2 4.04Å; I97-V215 HydrophobicContact CG2-CG2 3.94Å; S197-V215 WeakPolarHBondContact CB-O 3.46Å; S197-V215 PolarHBondContact OG-O 3.05Å
216L88.9Confident70Confident0 Ų064 Ų640%036%0.356CS..PPolyproline II helixtrans-82.6118.8177.5-62.4171.9000108.8S93 C95 G96 V98 L118 F132 M179 L214S93-L216 VanDerWaalsContact CB-O 3.29Å; S93-L216 WeakPolarHBondContact CB-O 3.41Å; S93-L216 PolarHBondContact OG-O 3.43Å; C95-L216 HydrophobicContact CB-CB 3.64Å; C95-L216 WeakPolarHBondContact CB-O 3.42Å; C95-L216 WeakPolarHBondContact O-CD1 3.35Å; G96-L216 WeakPolarHBondContact O-CB 3.41Å; G96-L216 PolarHBondContact O-N 3.36Å; V98-L216 HydrophobicContact CG1-CD2 4.1Å; V98-L216 HydrophobicContact CG1-CG 4.38Å; L118-L216 HydrophobicContact CD1-CD1 3.69Å; F132-L216 HydrophobicContact CE1-CD1 4.07Å; F132-L216 HydrophobicContact CE1-CD2 4.31Å; F132-L216 HydrophobicContact CZ-CD1 4.2Å; M179-L216 HydrophobicContact CB-CD1 4.14Å; M179-L216 HydrophobicContact CE-CD1 3.96Å; M179-L216 HydrophobicContact SD-CD1 3.91Å; L214-L216 PolarHBondContact O-N 3.43Å
217S83.5Confident68.4Low39 Ų3966 Ų6627%0.27338%0.38SS..EExtended strand (participates in β ladder)trans-85.8142171.861.80000110.5G195 Q196G195-S217 CarbonylContact C-O 3.58Å; G195-S217 WeakPolarHBondContact CA-O 3.48Å; Q196-S217 PolarHBondContact N-O 3.34Å; Q196-S217 PolarHBondContact O-N 2.81Å; Q196-S217 PolarHBondContact O-OG 2.99Å
218P86.6Confident67.3Low20 Ų2069.3 Ų69.313%0.1339%0.392CS..EExtended strand (participates in β ladder)trans-55.5139.2175.8-25.432.4000112.9E92 C95 S220 K221E92-P218 WeakPolarHBondContact O-CD 3.35Å; C95-P218 WeakPolarHBondContact SG-CA 3.39Å; P218-S220 PolarHBondContact O-N 3.46Å; P218-K221 PolarHBondContact O-N 3.32Å; P218-K221 VanDerWaalsContact O-N 3.16Å
219A79.4Confident66.1Low13 Ų1368.5 Ų68.511%0.10740%0.396CS..Hα-helixtrans-55.3-36.8-179.200000113.4L193 V194 K221 V222L193-A219 HydrophobicContact CB-CB 4.22Å; L193-A219 HydrophobicContact CD2-CB 3.77Å; L193-A219 HydrophobicContact CG-CB 3.67Å; L193-A219 WeakPolarHBondContact O-CB 3.38Å; V194-A219 PolarHBondContact O-N 3.08Å; V194-A219 VanDerWaalsContact O-N 3.16Å; A219-K221 PolarHBondContact O-N 2.98Å; A219-V222 PolarHBondContact O-N 2.84Å; A219-V222 VanDerWaalsContact O-N 3.12Å
220S69.9Low64.8Low91 Ų9170.3 Ų70.364%0.63640%0.399SS*.Hα-helixtrans-58.5-28.7-17954.70000113.6P218P218-S220 PolarHBondContact O-N 3.46Å
221K57.7Low63.3Low73 Ų7372 Ų7232%0.31742%0.421SS..Hα-helixtrans-77.9-22.3-179.9-73.5-178.4178.1169.80113.9E92 P218 A219 K232E92-K221 WeakPolarHBondContact OE1-CE 3.38Å; E92-K221 IonicContact OE1-NZ 3.6Å; E92-K221 PolarHBondContact OE1-NZ 3.33Å; E92-K221 IonicContact OE2-NZ 2.77Å; E92-K221 PolarHBondContact OE2-NZ 3.43Å; P218-K221 PolarHBondContact O-N 3.32Å; P218-K221 VanDerWaalsContact O-N 3.16Å; A219-K221 PolarHBondContact O-N 2.98Å; K221-K232 PolarHBondContact O-NZ 2.69Å
222V54.4Low61.5Low53 Ų5374.1 Ų74.132%0.32143%0.425SS..Hα-helixtrans-92.3-19.4-168.9-175.20000112.6Q196 A219 N224 V225Q196-V222 HydrophobicContact CG-CG2 3.99Å; A219-V222 PolarHBondContact O-N 2.84Å; A219-V222 VanDerWaalsContact O-N 3.12Å; V222-N224 PolarHBondContact O-N 2.78Å; V222-V225 WeakPolarHBondContact O-CG2 3.23Å
223Q46.2Very low59.9Low160 Ų16082.3 Ų82.375%0.74846%0.46SS*.SBendtrans-68.6-18.1179.3-67.4-172.49.900114V225Q223-V225 VanDerWaalsContact C-N 3.3Å; Q223-V225 PolarHBondContact O-N 3.14Å; Q223-V225 VanDerWaalsContact O-N 3.15Å
224N39Very low58.2Low77 Ų7789.2 Ų89.241%0.41249%0.494SS..THydrogen-bonded Turntrans-9051.2178.7-64.5-0.9000112.2V222 K232V222-N224 PolarHBondContact O-N 2.78Å; N224-K232 PolarHBondContact O-NZ 3.32Å
225V48Very low56.9Low102 Ų10295.9 Ų95.962%0.61853%0.534SS*.THydrogen-bonded Turntrans-109.1-23.7174.8-179.10000112.8V222 Q223V222-V225 WeakPolarHBondContact O-CG2 3.23Å; Q223-V225 VanDerWaalsContact C-N 3.3Å; Q223-V225 PolarHBondContact O-N 3.14Å; Q223-V225 VanDerWaalsContact O-N 3.15Å
226D40.5Very low55.7Low162 Ų16297.2 Ų97.287%0.86656%0.555SS**SBendtrans-125.479176.5-67.1-45.3000110.9
227G35.6Very low54.5Low55 Ų55104.8 Ų104.857%0.56760%0.595SS**SBendtrans155.4108.9172.400000113.1
228I43Very low53.6Low165 Ų165106.8 Ų106.885%0.84661%0.606SS**SBendtrans46.194.5150.9-50.5173.2000114.8D230I228-D230 VanDerWaalsContact C-N 3.25Å; I228-D230 PolarHBondContact O-N 3.23Å
229D43.7Very low52.5Low153 Ų153110.2 Ų110.282%0.81862%0.623SS**  trans7.160.4153.9-164.331.3000117.4G231D229-G231 PolarHBondContact O-N 3.24Å
230D43.8Very low52.1Low123 Ų123114.6 Ų114.666%0.65864%0.64SS**  trans-84.573.4173.2-166.730.4000108I228 K232I228-D230 VanDerWaalsContact C-N 3.25Å; I228-D230 PolarHBondContact O-N 3.23Å; D230-K232 PolarHBondContact O-N 3.07Å
231G43.8Very low52.1Low62 Ų62113.1 Ų113.164%0.63963%0.629SS**  trans52.916.4158.200000117.6D229 K233D229-G231 PolarHBondContact O-N 3.24Å; G231-K233 VanDerWaalsContact C-N 3.35Å; G231-K233 PolarHBondContact O-N 3.28Å
232K47.6Very low53.2Low104 Ų104114.5 Ų114.545%0.45264%0.64SS.*  trans-6199.5175.3-88.1-179.5174.91750106.6K221 N224 D230 Q234K221-K232 PolarHBondContact O-NZ 2.69Å; N224-K232 PolarHBondContact O-NZ 3.32Å; D230-K232 PolarHBondContact O-N 3.07Å; K232-Q234 PolarHBondContact O-N 2.87Å
233K49.9Very low54.4Low195 Ų195115.4 Ų115.485%0.84865%0.648SS**  trans-5789.5171.6-78.4-180177.7174.40108G231 V235G231-K233 VanDerWaalsContact C-N 3.35Å; G231-K233 PolarHBondContact O-N 3.28Å; K233-V235 WeakPolarHBondContact O-CG2 3.3Å; K233-V235 PolarHBondContact O-N 2.91Å
234Q48.7Very low56.2Low185 Ų185113.7 Ų113.786%0.86464%0.636SS**  trans-64.5105.2168.5-78-174.159.400106.3K232 G236K232-Q234 PolarHBondContact O-N 2.87Å; Q234-G236 PolarHBondContact O-N 2.8Å
235V59.3Low58.3Low148 Ų148112.1 Ų112.190%0.89763%0.631SS**  trans-72.6-9.1-178.4-166.50000111.1K233K233-V235 WeakPolarHBondContact O-CG2 3.3Å; K233-V235 PolarHBondContact O-N 2.91Å
236G59.6Low60.2Low62 Ų62111.1 Ų111.164%0.63963%0.627SS**  trans86.4-179-178.300000112.9Q234Q234-G236 PolarHBondContact O-N 2.8Å
237D64.9Low62.4Low158 Ų158108.5 Ų108.585%0.84563%0.627SS**  trans-100.1143.2-179.1-62.1-38.8000112.4
238V64.4Low64.8Low82 Ų82108.6 Ų108.650%0.49762%0.623SS.*  trans-106.5133.6170.965.20000110.7F240 V259V238-F240 HydrophobicContact CG1-CD1 4.31Å; V238-F240 HydrophobicContact CG1-CE1 4.47Å; V238-V259 HydrophobicContact CG2-CG1 3.95Å; V238-V259 HydrophobicContact CG2-CG2 4.22Å
239L63.9Low66.8Low91 Ų91107.2 Ų107.248%0.47661%0.613SS.*  trans-104.3125.6175.7-17964000110.2M256L239-M256 HydrophobicContact CD1-CE 4.23Å; L239-M256 HydrophobicContact CD2-CE 3.67Å; L239-M256 HydrophobicContact CD2-SD 3.46Å; L239-M256 WeakPolarHBondContact CD2-SD 3.2Å; L239-M256 HydrophobicContact CG-CE 3.62Å; L239-M256 HydrophobicContact CG-SD 3.92Å; L239-M256 PolarHBondContact O-N 3.2Å
240F70.9Confident68.7Low106 Ų106107 Ų10747%0.46560%0.6SS.*EExtended strand (participates in β ladder)trans-144.4162.817564.1-83.2000110.8V238 L242 V254V238-F240 HydrophobicContact CG1-CD1 4.31Å; V238-F240 HydrophobicContact CG1-CE1 4.47Å; F240-L242 HydrophobicContact CD2-CD1 4.49Å; F240-L242 HydrophobicContact CD2-CD2 4.03Å; F240-L242 HydrophobicContact CD2-CG 3.93Å; F240-L242 HydrophobicContact CE2-CD1 3.87Å; F240-L242 HydrophobicContact CE2-CD2 4.14Å; F240-L242 HydrophobicContact CE2-CG 3.82Å; F240-V254 CarbonylContact C-O 3.55Å; F240-V254 WeakPolarHBondContact CA-O 3.31Å; F240-V254 WeakPolarHBondContact CB-O 3.34Å
241S69.4Low70.5Confident60 Ų60106.3 Ų106.342%0.4260%0.596SS.*EExtended strand (participates in β ladder)trans-124.6144.1175.4178.70000110.2V253 V254S241-V253 WeakPolarHBondContact O-CA 3.22Å; S241-V254 PolarHBondContact N-O 3.08Å; S241-V254 PolarHBondContact O-N 2.88Å
242L80.6Confident72.3Confident102 Ų102106 Ų10653%0.53458%0.582SS.*EExtended strand (participates in β ladder)trans-122.4138.4179.5-62.6179.1000110.3F240 T252 V253F240-L242 HydrophobicContact CD2-CD1 4.49Å; F240-L242 HydrophobicContact CD2-CD2 4.03Å; F240-L242 HydrophobicContact CD2-CG 3.93Å; F240-L242 HydrophobicContact CE2-CD1 3.87Å; F240-L242 HydrophobicContact CE2-CD2 4.14Å; F240-L242 HydrophobicContact CE2-CG 3.82Å; L242-T252 WeakPolarHBondContact CA-O 3.41Å; L242-V253 HydrophobicContact CD2-CB 4.1Å; L242-V253 HydrophobicContact CD2-CG1 3.86Å; L242-V253 HydrophobicContact CD2-CG2 3.65Å
243S80.2Confident73.8Confident72 Ų72104 Ų10450%0.50358%0.578SS.*EExtended strand (participates in β ladder)trans-141.9134.1171.5178.20000109.9T252S243-T252 PolarHBondContact N-O 2.94Å; S243-T252 PolarHBondContact O-N 3.27Å
244Y83.5Confident75Confident123 Ų12398.3 Ų98.348%0.48256%0.56SS.*EExtended strand (participates in β ladder)trans-116.7128.8175.6179.6-119.6000110.3P246 Q249 L251Y244-P246 HydrophobicContact CD1-CG 3.87Å; Y244-P246 HydrophobicContact CE1-CB 3.91Å; Y244-P246 HydrophobicContact CE1-CG 3.66Å; Y244-Q249 PolarHBondContact OH-NE2 2.8Å; Y244-Q249 PolarHBondContact OH-OE1 2.94Å; Y244-L251 HydrophobicContact CD2-CB 4.47Å
245S84.2Confident76.1Confident45 Ų4592 Ų9232%0.31553%0.532SS..EExtended strand (participates in β ladder)trans-108.9104.3171.1179.10000108.9A247 A248 Q249 R250S245-A247 VanDerWaalsContact C-N 3.35Å; S245-A247 PolarHBondContact O-N 2.95Å; S245-A248 PolarHBondContact O-N 2.85Å; S245-Q249 PolarHBondContact O-N 2.82Å; S245-R250 PolarHBondContact N-O 3.27Å; S245-R250 PolarHBondContact O-N 3.42Å; S245-R250 VanDerWaalsContact O-N 3.12Å
246P86.2Confident76.4Confident81 Ų8190.4 Ų90.453%0.52652%0.516SS..THydrogen-bonded Turntrans-60.7-41.6-178.8-22.731.2000113.1Y244 A248 Q249Y244-P246 HydrophobicContact CD1-CG 3.87Å; Y244-P246 HydrophobicContact CE1-CB 3.91Å; Y244-P246 HydrophobicContact CE1-CG 3.66Å; P246-A248 VanDerWaalsContact C-N 3.27Å; P246-A248 PolarHBondContact O-N 2.95Å; P246-Q249 PolarHBondContact O-N 2.85Å; P246-Q249 VanDerWaalsContact O-N 3.09Å; P246-Q249 PolarHBondContact O-NE2 3.11Å
247A86.4Confident76.7Confident106 Ų10693.7 Ų93.788%0.87651%0.512SS*.THydrogen-bonded Turntrans-62.5-34.6-179.600000112.7S245S245-A247 VanDerWaalsContact C-N 3.35Å; S245-A247 PolarHBondContact O-N 2.95Å
248A87.2Confident76.7Confident58 Ų5897.7 Ų97.748%0.47952%0.516SS..THydrogen-bonded Turntrans-93-2177.200000113.3S245 P246 R250S245-A248 PolarHBondContact O-N 2.85Å; P246-A248 VanDerWaalsContact C-N 3.27Å; P246-A248 PolarHBondContact O-N 2.95Å; A248-R250 HydrophobicContact CB-CB 3.91Å; A248-R250 PolarHBondContact O-N 2.87Å; A248-R250 VanDerWaalsContact O-N 3.11Å
249Q85.1Confident76.9Confident136 Ų13696 Ų9664%0.63651%0.505SS*.THydrogen-bonded Turntrans46.639.5-170.3-65.7-69.5-52.600112Y244 S245 P246Y244-Q249 PolarHBondContact OH-NE2 2.8Å; Y244-Q249 PolarHBondContact OH-OE1 2.94Å; S245-Q249 PolarHBondContact O-N 2.82Å; P246-Q249 PolarHBondContact O-N 2.85Å; P246-Q249 VanDerWaalsContact O-N 3.09Å; P246-Q249 PolarHBondContact O-NE2 3.11Å
250R83.4Confident77.3Confident147 Ų14796.7 Ų96.756%0.55550%0.502SS*.EExtended strand (participates in β ladder)trans-117.9115.5-168.8-170.5173.171.3-167.41.2110.8S245 A248S245-R250 PolarHBondContact N-O 3.27Å; S245-R250 PolarHBondContact O-N 3.42Å; S245-R250 VanDerWaalsContact O-N 3.12Å; A248-R250 HydrophobicContact CB-CB 3.91Å; A248-R250 PolarHBondContact O-N 2.87Å; A248-R250 VanDerWaalsContact O-N 3.11Å
251L81.8Confident77.5Confident109 Ų10994.9 Ų94.957%0.57150%0.497SS*.EExtended strand (participates in β ladder)trans-89.6127.3164.4-178.966.2000109.2Y244 V253Y244-L251 HydrophobicContact CD2-CB 4.47Å; L251-V253 HydrophobicContact CD2-CG2 4.33Å; L251-V253 HydrophobicContact CG-CG2 4.24Å
252T81.7Confident78.1Confident56 Ų5697.5 Ų97.534%0.34450%0.498SS..EExtended strand (participates in β ladder)trans-110.1124.8175.2-51.20000108.6L242 S243 V254L242-T252 WeakPolarHBondContact CA-O 3.41Å; S243-T252 PolarHBondContact N-O 2.94Å; S243-T252 PolarHBondContact O-N 3.27Å; T252-V254 HydrophobicContact CG2-CG2 4.24Å
253V79.4Confident78.1Confident62 Ų6296 Ų9638%0.37649%0.493SS..EExtended strand (participates in β ladder)trans-115.7117.8175.6-172.80000107.8S241 L242 L251 I255S241-V253 WeakPolarHBondContact O-CA 3.22Å; L242-V253 HydrophobicContact CD2-CB 4.1Å; L242-V253 HydrophobicContact CD2-CG1 3.86Å; L242-V253 HydrophobicContact CD2-CG2 3.65Å; L251-V253 HydrophobicContact CD2-CG2 4.33Å; L251-V253 HydrophobicContact CG-CG2 4.24Å; V253-I255 HydrophobicContact CG1-CG1 4.11Å
254V75.2Confident78.1Confident76 Ų7694.5 Ų94.546%0.46148%0.482SS..EExtended strand (participates in β ladder)trans-107.2126177-177.80000108.7F240 S241 T252F240-V254 CarbonylContact C-O 3.55Å; F240-V254 WeakPolarHBondContact CA-O 3.31Å; F240-V254 WeakPolarHBondContact CB-O 3.34Å; S241-V254 PolarHBondContact N-O 3.08Å; S241-V254 PolarHBondContact O-N 2.88Å; T252-V254 HydrophobicContact CG2-CG2 4.24Å
255I70.3Confident78.1Confident53 Ų5391.5 Ų91.527%0.27248%0.476SS..EExtended strand (participates in β ladder)trans-117.8122-176.2-51173000109.2V253 V259 L261V253-I255 HydrophobicContact CG1-CG1 4.11Å; I255-V259 HydrophobicContact CB-CG2 4.44Å; I255-V259 HydrophobicContact CG2-CG2 3.09Å; I255-L261 HydrophobicContact CD1-CB 3.75Å; I255-L261 HydrophobicContact CD1-CD1 3.89Å; I255-L261 HydrophobicContact CD1-CD2 4.11Å; I255-L261 HydrophobicContact CD1-CG 4.11Å
256M67Low77.7Confident113 Ų11393 Ų9356%0.55748%0.475SS*.  trans-93-12.1-168.4-63.4-174.4-136.200114.7L239L239-M256 HydrophobicContact CD1-CE 4.23Å; L239-M256 HydrophobicContact CD2-CE 3.67Å; L239-M256 HydrophobicContact CD2-SD 3.46Å; L239-M256 WeakPolarHBondContact CD2-SD 3.2Å; L239-M256 HydrophobicContact CG-CE 3.62Å; L239-M256 HydrophobicContact CG-SD 3.92Å; L239-M256 PolarHBondContact O-N 3.2Å
257K66.2Low77.4Confident132 Ų13294.2 Ų94.257%0.57447%0.474SS*.SBendtrans-126.3165.6-173.9-70.4-175.9178.5177.40111.8V259K257-V259 PolarHBondContact O-N 2.97Å
258R64.4Low76.8Confident242 Ų24292 Ų9291%0.91346%0.456SS*.SBendtrans-62.868.1176.8-68.4-178.5176.5179.5-1.4112.4
259V67.9Low76.1Confident45 Ų4594.5 Ų94.527%0.27346%0.457SS..  trans-118.1157.5173.4-600000109.4V238 I255 K257V238-V259 HydrophobicContact CG2-CG1 3.95Å; V238-V259 HydrophobicContact CG2-CG2 4.22Å; I255-V259 HydrophobicContact CB-CG2 4.44Å; I255-V259 HydrophobicContact CG2-CG2 3.09Å; K257-V259 PolarHBondContact O-N 2.97Å
260Y71.9Confident74.8Confident106 Ų10690.4 Ų90.442%0.41644%0.443SS..PPolyproline II helixtrans-92.5134.7175.1-30.7-89.4000106.9V282 R285Y260-V282 CarbonylContact C-O 3.37Å; Y260-V282 WeakPolarHBondContact CA-O 3.42Å; Y260-R285 HydrophobicContact CE1-CB 3.88Å; Y260-R285 HydrophobicContact CE1-CG 3.92Å; Y260-R285 WeakPolarHBondContact OH-CD 3.24Å; Y260-R285 PolarHBondContact OH-NE 2.88Å; Y260-R285 PolarHBondContact OH-NH1 3Å
261L76.5Confident73.4Confident68 Ų6888.5 Ų88.536%0.35645%0.448SS..EExtended strand (participates in β ladder)trans-91.3117.4172.5179.359.6000108.1I255 V263 T281 V282I255-L261 HydrophobicContact CD1-CB 3.75Å; I255-L261 HydrophobicContact CD1-CD1 3.89Å; I255-L261 HydrophobicContact CD1-CD2 4.11Å; I255-L261 HydrophobicContact CD1-CG 4.11Å; L261-V263 HydrophobicContact CD2-CG2 4.11Å; L261-V263 HydrophobicContact CG-CG2 3.97Å; L261-T281 WeakPolarHBondContact O-CA 3.31Å; L261-V282 PolarHBondContact N-O 3.31Å; L261-V282 PolarHBondContact O-N 2.81Å
262R81Confident71.7Confident116 Ų11684.4 Ų84.444%0.43843%0.428SS..EExtended strand (participates in β ladder)trans-99.5122.3168.4-174174.4178.8162.92.4109.1H279 V280R262-H279 HydrophobicContact CG-CB 4.41Å; R262-H279 PolarHBondContact NE-CD2 3.16Å; R262-H279 PolarHBondContact NH2-CD2 3.22Å; R262-H279 PolarHBondContact NH2-CE1 3.46Å; R262-H279 VanDerWaalsContact NH2-CE1 3.28Å; R262-H279 PolarHBondContact NH2-ND1 2.78Å; R262-H279 PolarHBondContact NH2-NE2 3.46Å; R262-H279 VanDerWaalsContact NH2-NE2 3.13Å; R262-V280 CarbonylContact C-O 3.48Å; R262-V280 VanDerWaalsContact CA-O 3.31Å; R262-V280 WeakPolarHBondContact CA-O 3.31Å
263V80.7Confident70.2Confident70 Ų7086 Ų8642%0.42443%0.431SS..EExtended strand (participates in β ladder)trans-109.3121.5173.4-175.80000107.4L261 H279 V280L261-V263 HydrophobicContact CD2-CG2 4.11Å; L261-V263 HydrophobicContact CG-CG2 3.97Å; V263-H279 CarbonylContact O-C 3.54Å; V263-H279 VanDerWaalsContact O-CA 3.27Å; V263-H279 WeakPolarHBondContact O-CA 3.46Å; V263-V280 HydrophobicContact CB-CG1 4.03Å; V263-V280 PolarHBondContact N-O 2.83Å; V263-V280 PolarHBondContact O-N 2.96Å
264S80.8Confident69.5Low40 Ų4086.2 Ų86.228%0.2843%0.427SS..EExtended strand (participates in β ladder)trans-110.3130.2176.5-58.80000109G278 H279S264-G278 WeakPolarHBondContact CA-O 3.36Å; S264-H279 WeakPolarHBondContact OG-CB 3.48Å
265V82.1Confident69.4Low60 Ų6086 Ų8636%0.36443%0.426SS..EExtended strand (participates in β ladder)trans-96.6127.4174.2-175.20000107.6I277 G278 L311V265-I277 HydrophobicContact CG1-CD1 3.89Å; V265-I277 PolarHBondContact O-N 2.91Å; V265-G278 PolarHBondContact N-O 3.17Å; V265-G278 PolarHBondContact O-N 3.47Å; V265-L311 HydrophobicContact CB-CD1 3.88Å; V265-L311 HydrophobicContact CG2-CD1 3.83Å; V265-L311 HydrophobicContact CG2-CD2 3.86Å
266R77Confident69.7Low77 Ų7785.5 Ų85.529%0.29143%0.425SS..EExtended strand (participates in β ladder)trans-125.7135.2178.5-54.3-170.6176.5-155.10.7109.3L88 F274 T275L88-R266 VanDerWaalsContact C-NH2 3.25Å; L88-R266 PolarHBondContact O-NH2 3.11Å; R266-F274 HydrophobicContact CB-CB 4.08Å; R266-T275 CarbonylContact C-O 3.54Å; R266-T275 VanDerWaalsContact CA-O 3.26Å; R266-T275 WeakPolarHBondContact CA-O 3.45Å
267E79.9Confident70.4Confident106 Ų10684.5 Ų84.550%0.49542%0.421SS..EExtended strand (participates in β ladder)trans-87.5128.4171.2-175.2165-134.800108.4H269 F274 T275 I277E267-H269 IonicContact OE2-CE1 3.68Å; E267-F274 CarbonylContact O-C 3.53Å; E267-F274 WeakPolarHBondContact O-CA 3.44Å; E267-T275 PolarHBondContact N-O 3.16Å; E267-T275 PolarHBondContact O-N 3.45Å; E267-I277 HydrophobicContact CB-CD1 3.89Å; E267-I277 HydrophobicContact CB-CG1 3.95Å
268A74.1Confident71.3Confident60 Ų6078.2 Ų78.250%0.49639%0.394SS..EExtended strand (participates in β ladder)trans-90.5112175.200000109.1F274A268-F274 HydrophobicContact CB-CD1 3.52Å; A268-F274 HydrophobicContact CB-CE1 3.42Å; A268-F274 VanDerWaalsContact CB-CE1 3.42Å
269H72.5Confident72.2Confident110 Ų11067.6 Ų67.651%0.50936%0.355SS..SBendtrans-80.6-31.3170.9-61-57000111E267 E273 T275E267-H269 IonicContact OE2-CE1 3.68Å; H269-E273 HydrophobicContact CB-CB 4.17Å; H269-E273 PolarHBondContact N-O 2.91Å; H269-T275 PolarHBondContact CD2-OG1 3.27Å; H269-T275 WeakPolarHBondContact NE2-CB 3.39Å; H269-T275 PolarHBondContact NE2-OG1 2.86Å
270S58Low73Confident50 Ų5066.1 Ų66.135%0.3535%0.346SS..SBendtrans-143.2-174.717375.10000109.3T272 E273S270-T272 PolarHBondContact O-N 3.29Å; S270-T272 PolarHBondContact OG-N 2.88Å; S270-T272 PolarHBondContact OG-OG1 3.37Å; S270-E273 PolarHBondContact N-O 3.28Å; S270-E273 WeakPolarHBondContact OG-CB 3.45Å; S270-E273 PolarHBondContact OG-N 2.82Å
271V53.2Low73.4Confident107 Ų10763.2 Ų63.265%0.64834%0.339SS*.SBendtrans-54.6-21174.7174.10000112.2W213 F274W213-V271 HydrophobicContact CH2-CG1 4.46Å; W213-V271 HydrophobicContact CZ2-CG1 3.97Å; V271-F274 WeakPolarHBondContact O-CZ 3.42Å
272T45.8Very low73.7Confident24 Ų2461 Ų6115%0.14733%0.329CS..SBendtrans-138-21-168.956.90000115.5H119 W213 S270 F274H119-T272 HydrophobicContact CB-CG2 4.46Å; H119-T272 VanDerWaalsContact CD2-CG2 3.46Å; H119-T272 WeakPolarHBondContact CD2-CG2 3.26Å; H119-T272 WeakPolarHBondContact CE1-CB 3.42Å; H119-T272 WeakPolarHBondContact CE1-CG2 3.34Å; H119-T272 PolarHBondContact CE1-OG1 2.91Å; H119-T272 WeakPolarHBondContact ND1-CB 3.21Å; H119-T272 PolarHBondContact ND1-OG1 2.86Å; H119-T272 WeakPolarHBondContact NE2-CG2 3.06Å; W213-T272 HydrophobicContact CH2-CG2 3.23Å; W213-T272 HydrophobicContact CZ2-CG2 4.04Å; W213-T272 HydrophobicContact CZ3-CG2 3.69Å; S270-T272 PolarHBondContact O-N 3.29Å; S270-T272 PolarHBondContact OG-N 2.88Å; S270-T272 PolarHBondContact OG-OG1 3.37Å; T272-F274 WeakPolarHBondContact O-CD2 3.35Å; T272-F274 WeakPolarHBondContact O-CE2 3.28Å; T272-F274 PolarHBondContact O-N 2.89Å
273E50.2Low73.6Confident90 Ų9055.5 Ų55.542%0.42131%0.308SS..  trans-84.9112.2173.4-71.2-172.2169.200109.1H269 S270H269-E273 HydrophobicContact CB-CB 4.17Å; H269-E273 PolarHBondContact N-O 2.91Å; S270-E273 PolarHBondContact N-O 3.28Å; S270-E273 WeakPolarHBondContact OG-CB 3.45Å; S270-E273 PolarHBondContact OG-N 2.82Å
274F64.1Low73.4Confident66 Ų6654.9 Ų54.929%0.28931%0.31SS..EExtended strand (participates in β ladder)trans-122.5125.8178.1-53.4-84.8000110.8M85 R266 E267 A268 V271 T272M85-F274 HydrophobicContact CE-CE2 3.93Å; M85-F274 HydrophobicContact CE-CZ 4.22Å; R266-F274 HydrophobicContact CB-CB 4.08Å; E267-F274 CarbonylContact O-C 3.53Å; E267-F274 WeakPolarHBondContact O-CA 3.44Å; A268-F274 HydrophobicContact CB-CD1 3.52Å; A268-F274 HydrophobicContact CB-CE1 3.42Å; A268-F274 VanDerWaalsContact CB-CE1 3.42Å; V271-F274 WeakPolarHBondContact O-CZ 3.42Å; T272-F274 WeakPolarHBondContact O-CD2 3.35Å; T272-F274 WeakPolarHBondContact O-CE2 3.28Å; T272-F274 PolarHBondContact O-N 2.89Å
275T74.8Confident73Confident72 Ų7262.8 Ų62.844%0.44233%0.334SS..EExtended strand (participates in β ladder)trans-92.8126.8167.2-62.60000109.1R266 E267 H269 I277R266-T275 CarbonylContact C-O 3.54Å; R266-T275 VanDerWaalsContact CA-O 3.26Å; R266-T275 WeakPolarHBondContact CA-O 3.45Å; E267-T275 PolarHBondContact N-O 3.16Å; E267-T275 PolarHBondContact O-N 3.45Å; H269-T275 PolarHBondContact CD2-OG1 3.27Å; H269-T275 WeakPolarHBondContact NE2-CB 3.39Å; H269-T275 PolarHBondContact NE2-OG1 2.86Å; T275-I277 PolarHBondContact O-N 3.26Å; T275-I277 VanDerWaalsContact O-N 3.13Å
276T75.9Confident72.8Confident41 Ų4161.3 Ų61.325%0.25233%0.326SS..EExtended strand (participates in β ladder)trans-72.1109.3172.5-61.20000108.6G278T276-G278 VanDerWaalsContact C-N 3.31Å
277I82.2Confident72.9Confident92 Ų9262.4 Ų62.447%0.47235%0.345SS..EExtended strand (participates in β ladder)trans-67.1-41.8175.1-52.2-178.2000108.9V265 E267 T275 L311V265-I277 HydrophobicContact CG1-CD1 3.89Å; V265-I277 PolarHBondContact O-N 2.91Å; E267-I277 HydrophobicContact CB-CD1 3.89Å; E267-I277 HydrophobicContact CB-CG1 3.95Å; T275-I277 PolarHBondContact O-N 3.26Å; T275-I277 VanDerWaalsContact O-N 3.13Å; I277-L311 HydrophobicContact CG2-CD1 4.19Å
278G83.4Confident73.3Confident0 Ų060.2 Ų60.20%035%0.351CS..EExtended strand (participates in β ladder)trans169.4-172.1175.400000112.2S264 V265 T276 L312S264-G278 WeakPolarHBondContact CA-O 3.36Å; V265-G278 PolarHBondContact N-O 3.17Å; V265-G278 PolarHBondContact O-N 3.47Å; T276-G278 VanDerWaalsContact C-N 3.31Å; G278-L312 CarbonylContact C-O 3.53Å; G278-L312 WeakPolarHBondContact CA-O 3.44Å
279H84.1Confident73.9Confident20 Ų2064.3 Ų64.39%0.09336%0.358CS..EExtended strand (participates in β ladder)trans-145.1160.2-178.967.2-74.1000111.8R262 V263 S264 L312 A313R262-H279 HydrophobicContact CG-CB 4.41Å; R262-H279 PolarHBondContact NE-CD2 3.16Å; R262-H279 PolarHBondContact NH2-CD2 3.22Å; R262-H279 PolarHBondContact NH2-CE1 3.46Å; R262-H279 VanDerWaalsContact NH2-CE1 3.28Å; R262-H279 PolarHBondContact NH2-ND1 2.78Å; R262-H279 PolarHBondContact NH2-NE2 3.46Å; R262-H279 VanDerWaalsContact NH2-NE2 3.13Å; V263-H279 CarbonylContact O-C 3.54Å; V263-H279 VanDerWaalsContact O-CA 3.27Å; V263-H279 WeakPolarHBondContact O-CA 3.46Å; S264-H279 WeakPolarHBondContact OG-CB 3.48Å; H279-L312 PolarHBondContact N-O 2.82Å; H279-L312 PolarHBondContact ND1-O 2.71Å; H279-L312 PolarHBondContact O-N 3.21Å; H279-A313 PolarHBondContact CE1-O 3.18Å
280V84.2Confident74.4Confident14 Ų1460.9 Ų60.99%0.08534%0.342CS..EExtended strand (participates in β ladder)trans-131.8140.8168.259.90000108.5R262 V263 V282 E290 H309R262-V280 CarbonylContact C-O 3.48Å; R262-V280 VanDerWaalsContact CA-O 3.31Å; R262-V280 WeakPolarHBondContact CA-O 3.31Å; V263-V280 HydrophobicContact CB-CG1 4.03Å; V263-V280 PolarHBondContact N-O 2.83Å; V263-V280 PolarHBondContact O-N 2.96Å; V280-V282 HydrophobicContact CG2-CG2 4.18Å; V280-E290 HydrophobicContact CG2-CG 4Å; V280-H309 HydrophobicContact CB-CB 4.27Å; V280-H309 HydrophobicContact CG2-CB 3.63Å
281T82Confident75.5Confident45 Ų4562.3 Ų62.328%0.27634%0.342SS..EExtended strand (participates in β ladder)trans-116.6126.2172.3-55.60000108.5L261 C286L261-T281 WeakPolarHBondContact O-CA 3.31Å; T281-C286 PolarHBondContact O-SG 3.18Å
282V81.2Confident77.1Confident22 Ų2258.1 Ų58.113%0.13332%0.32CS..EExtended strand (participates in β ladder)trans-115.2131.7177.4-178.20000108.7Y260 L261 V280 W294Y260-V282 CarbonylContact C-O 3.37Å; Y260-V282 WeakPolarHBondContact CA-O 3.42Å; L261-V282 PolarHBondContact N-O 3.31Å; L261-V282 PolarHBondContact O-N 2.81Å; V280-V282 HydrophobicContact CG2-CG2 4.18Å; V282-W294 HydrophobicContact CG1-CB 4.03Å; V282-W294 HydrophobicContact CG1-CE3 4.33Å
283G80.3Confident79Confident0 Ų058.4 Ų58.40%032%0.32CS..SBendtrans171.3173.4-179.800000114R285 C286G283-R285 PolarHBondContact O-N 2.99Å; G283-C286 PolarHBondContact N-SG 2.58Å; G283-C286 VanDerWaalsContact N-SG 3.4Å; G283-C286 WeakPolarHBondContact O-CB 3.38Å; G283-C286 PolarHBondContact O-N 2.96Å
284A74.8Confident80.5Confident56 Ų5656 Ų5646%0.46331%0.307SS..THydrogen-bonded Turntrans-62-16-173.900000115.5W294A284-W294 HydrophobicContact CB-CZ2 4.41Å
285R72.9Confident81.3Confident207 Ų20757.3 Ų57.378%0.78131%0.314SS*.THydrogen-bonded Turntrans-109.43.7179-64.7-175.2-179.5169.2-2.7113.6Y260 G283Y260-R285 HydrophobicContact CE1-CB 3.88Å; Y260-R285 HydrophobicContact CE1-CG 3.92Å; Y260-R285 WeakPolarHBondContact OH-CD 3.24Å; Y260-R285 PolarHBondContact OH-NE 2.88Å; Y260-R285 PolarHBondContact OH-NH1 3Å; G283-R285 PolarHBondContact O-N 2.99Å
286C79Confident81.8Confident29 Ų2960.5 Ų60.520%0.19632%0.318CS..  trans-70167.3170.2-620000109.4T281 G283 E290 F291T281-C286 PolarHBondContact O-SG 3.18Å; G283-C286 PolarHBondContact N-SG 2.58Å; G283-C286 VanDerWaalsContact N-SG 3.4Å; G283-C286 WeakPolarHBondContact O-CB 3.38Å; G283-C286 PolarHBondContact O-N 2.96Å; C286-E290 HydrophobicContact CB-CB 3.77Å; C286-F291 WeakPolarHBondContact O-CB 3.33Å
287S78.8Confident82.1Confident99 Ų9962.3 Ų62.369%0.69232%0.324SS*.  trans-118.4172.6170.958.20000109.4E290S287-E290 VanDerWaalsContact O-OE2 3.07Å
288G88.4Confident82.1Confident61 Ų6163.2 Ų63.263%0.62933%0.328SS*.Hα-helixtrans66.8-137.3173.300000114.9E290 G292G288-E290 VanDerWaalsContact C-N 3.32Å; G288-G292 PolarHBondContact O-N 3.25Å; G288-G292 VanDerWaalsContact O-N 3.15Å
289K86.2Confident82.3Confident145 Ų14568.1 Ų68.163%0.6335%0.354SS*.Hα-helixtrans-71.2-31.9-172.6-72.4-172.4176-173.60112G292 H293 M307K289-G292 PolarHBondContact O-N 2.89Å; K289-H293 WeakPolarHBondContact O-CB 3.48Å; K289-H293 PolarHBondContact O-N 2.87Å; K289-M307 HydrophobicContact CB-SD 4.45Å
290E83.2Confident82.2Confident39 Ų3970.9 Ų70.918%0.18237%0.37CS..Hα-helixtrans-65.5-44.4-179.9-62.774.2-169.800109.8V280 C286 S287 G288 H293 W294 H309V280-E290 HydrophobicContact CG2-CG 4Å; C286-E290 HydrophobicContact CB-CB 3.77Å; S287-E290 VanDerWaalsContact O-OE2 3.07Å; G288-E290 VanDerWaalsContact C-N 3.32Å; E290-H293 PolarHBondContact O-N 2.78Å; E290-W294 WeakPolarHBondContact O-CB 3.44Å; E290-W294 PolarHBondContact O-N 2.82Å; E290-H309 IonicContact OE1-ND1 2.64Å
291F81.2Confident81.7Confident79 Ų7975.6 Ų75.635%0.34640%0.401SS..Hα-helixtrans-65.3-46172.2-177.9-107.4000112.3C286 H293 W294 Q295C286-F291 WeakPolarHBondContact O-CB 3.33Å; F291-H293 VanDerWaalsContact C-N 3.27Å; F291-H293 PolarHBondContact O-N 2.83Å; F291-W294 WeakPolarHBondContact O-CB 3.4Å; F291-W294 PolarHBondContact O-N 3.01Å; F291-W294 VanDerWaalsContact O-N 3.16Å; F291-Q295 WeakPolarHBondContact O-CB 3.27Å; F291-Q295 PolarHBondContact O-N 2.86Å
292G86.5Confident81.5Confident19 Ų1980.1 Ų80.120%0.19643%0.428CS..Hα-helixtrans-60.4-37.4177.500000112.8G288 K289 R296G288-G292 PolarHBondContact O-N 3.25Å; G288-G292 VanDerWaalsContact O-N 3.15Å; K289-G292 PolarHBondContact O-N 2.89Å; G292-R296 WeakPolarHBondContact O-CG 3.07Å; G292-R296 PolarHBondContact O-N 2.9Å; G292-R296 VanDerWaalsContact O-N 3.1Å
293H85.7Confident81.3Confident30 Ų3081.2 Ų81.214%0.13944%0.44CS..Hα-helixtrans-64.2-48.1173.3-171.2-161.2000111.6K289 E290 F291 Q295 R296 M297 L305 M307 H309K289-H293 WeakPolarHBondContact O-CB 3.48Å; K289-H293 PolarHBondContact O-N 2.87Å; E290-H293 PolarHBondContact O-N 2.78Å; F291-H293 VanDerWaalsContact C-N 3.27Å; F291-H293 PolarHBondContact O-N 2.83Å; H293-Q295 VanDerWaalsContact C-N 3.34Å; H293-Q295 PolarHBondContact O-N 2.96Å; H293-R296 PolarHBondContact O-N 3.31Å; H293-M297 PolarHBondContact O-N 3.49Å; H293-L305 PolarHBondContact NE2-O 2.97Å; H293-M307 HydrophobicContact CB-CE 3.58Å; H293-M307 HydrophobicContact CB-SD 3.76Å; H293-H309 AromaticContact CE1-NE2 3.84Å; H293-H309 AromaticContact CG-NE2 3.67Å; H293-H309 AromaticContact ND1-CE1 3.73Å; H293-H309 AromaticContact ND1-NE2 2.98Å; H293-H309 PolarHBondContact ND1-NE2 2.9Å
294W81.3Confident81Confident40 Ų4086.9 Ų86.915%0.15248%0.477CS..Hα-helixtrans-56.7-47.6176.3174.4-93.7000111.8V282 A284 E290 F291 R296 M297 M298V282-W294 HydrophobicContact CG1-CB 4.03Å; V282-W294 HydrophobicContact CG1-CE3 4.33Å; A284-W294 HydrophobicContact CB-CZ2 4.41Å; E290-W294 WeakPolarHBondContact O-CB 3.44Å; E290-W294 PolarHBondContact O-N 2.82Å; F291-W294 WeakPolarHBondContact O-CB 3.4Å; F291-W294 PolarHBondContact O-N 3.01Å; F291-W294 VanDerWaalsContact O-N 3.16Å; W294-R296 PolarHBondContact O-N 3.12Å; W294-M297 HydrophobicContact CD2-CE 4.09Å; W294-M297 HydrophobicContact CE3-CE 3.39Å; W294-M297 HydrophobicContact CH2-CE 4.08Å; W294-M297 HydrophobicContact CZ3-CE 3.41Å; W294-M297 VanDerWaalsContact CZ3-CE 3.41Å; W294-M297 WeakPolarHBondContact O-CB 3.42Å; W294-M297 PolarHBondContact O-N 2.86Å; W294-M298 HydrophobicContact CZ2-CG 4.33Å; W294-M298 HydrophobicContact CZ2-SD 3.9Å; W294-M298 WeakPolarHBondContact O-CG 3.49Å; W294-M298 PolarHBondContact O-N 2.78Å
295Q82.3Confident81.2Confident93 Ų9387.2 Ų87.244%0.43547%0.47SS..Hα-helixtrans-61.3-47.3-179.8-173.6173.7-6.700111.4F291 H293 M297 M298 D299F291-Q295 WeakPolarHBondContact O-CB 3.27Å; F291-Q295 PolarHBondContact O-N 2.86Å; H293-Q295 VanDerWaalsContact C-N 3.34Å; H293-Q295 PolarHBondContact O-N 2.96Å; Q295-M297 VanDerWaalsContact C-N 3.26Å; Q295-M297 PolarHBondContact O-N 2.83Å; Q295-M298 WeakPolarHBondContact O-CB 3.48Å; Q295-M298 PolarHBondContact O-N 3.05Å; Q295-D299 PolarHBondContact O-N 3.41Å
296R84.7Confident81.7Confident140 Ų14084 Ų8453%0.52847%0.474SS..Hα-helixtrans-60.9-36177-70.3178.8-169.5138.95.3112.9G292 H293 W294 D299 N300 L305G292-R296 WeakPolarHBondContact O-CG 3.07Å; G292-R296 PolarHBondContact O-N 2.9Å; G292-R296 VanDerWaalsContact O-N 3.1Å; H293-R296 PolarHBondContact O-N 3.31Å; W294-R296 PolarHBondContact O-N 3.12Å; R296-D299 PolarHBondContact O-N 3.44Å; R296-N300 WeakPolarHBondContact O-CB 3.49Å; R296-N300 PolarHBondContact O-N 3.28Å; R296-N300 PolarHBondContact O-ND2 3.25Å; R296-L305 HydrophobicContact CB-CD1 3.56Å; R296-L305 WeakPolarHBondContact O-CD1 3.34Å
297M82.6Confident81.9Confident78 Ų7885.3 Ų85.338%0.38448%0.478SS..Hα-helixtrans-65.2-40.6175.5-175.6-170.871.400111.2H293 W294 Q295 D299 N300 L305H293-M297 PolarHBondContact O-N 3.49Å; W294-M297 HydrophobicContact CD2-CE 4.09Å; W294-M297 HydrophobicContact CE3-CE 3.39Å; W294-M297 HydrophobicContact CH2-CE 4.08Å; W294-M297 HydrophobicContact CZ3-CE 3.41Å; W294-M297 VanDerWaalsContact CZ3-CE 3.41Å; W294-M297 WeakPolarHBondContact O-CB 3.42Å; W294-M297 PolarHBondContact O-N 2.86Å; Q295-M297 VanDerWaalsContact C-N 3.26Å; Q295-M297 PolarHBondContact O-N 2.83Å; M297-D299 VanDerWaalsContact C-N 3.32Å; M297-N300 CarbonylContact O-C 3.55Å; M297-N300 PolarHBondContact O-N 2.8Å; M297-L305 HydrophobicContact CB-CD1 4.22Å; M297-L305 VanDerWaalsContact N-CD1 3.35Å
298M81.5Confident82.3Confident112 Ų11292 Ų9255%0.55249%0.488SS*.Hα-helixtrans-66.1-35.5173.8-66.1-56.8-55.300112.3W294 Q295 N300W294-M298 HydrophobicContact CZ2-CG 4.33Å; W294-M298 HydrophobicContact CZ2-SD 3.9Å; W294-M298 WeakPolarHBondContact O-CG 3.49Å; W294-M298 PolarHBondContact O-N 2.78Å; Q295-M298 WeakPolarHBondContact O-CB 3.48Å; Q295-M298 PolarHBondContact O-N 3.05Å; M298-N300 VanDerWaalsContact C-N 3.33Å
299D87.2Confident82.1Confident102 Ų10290.9 Ų90.955%0.54547%0.467SS..Hα-helixtrans-76.1-21.5178.8-62-24.1000112.5Q295 R296 M297Q295-D299 PolarHBondContact O-N 3.41Å; R296-D299 PolarHBondContact O-N 3.44Å; M297-D299 VanDerWaalsContact C-N 3.32Å
300N83.5Confident82.1Confident79 Ų7992.4 Ų92.442%0.42247%0.473SS..  trans-131.267.3-176.4-60.6-87.9000111.7R296 M297 M298 T302 A303R296-N300 WeakPolarHBondContact O-CB 3.49Å; R296-N300 PolarHBondContact O-N 3.28Å; R296-N300 PolarHBondContact O-ND2 3.25Å; M297-N300 CarbonylContact O-C 3.55Å; M297-N300 PolarHBondContact O-N 2.8Å; M298-N300 VanDerWaalsContact C-N 3.33Å; N300-T302 PolarHBondContact O-N 2.78Å; N300-A303 HydrophobicContact CB-CB 4.25Å; N300-A303 PolarHBondContact O-N 3.25Å
301P72.2Confident82.2Confident113 Ų11394 Ų9473%0.73448%0.482SS*.THydrogen-bonded Turntrans-65.3-14.8-165.524.6-35.2000115.7
302T77.6Confident82.1Confident139 Ų13995 Ų9585%0.85349%0.491SS*.THydrogen-bonded Turntrans-109.3-9.2-177.455.40000113.6N300N300-T302 PolarHBondContact O-N 2.78Å
303A76.8Confident81.6Confident46 Ų4697.7 Ų97.738%0.3851%0.512SS..SBendtrans-98.9125.2-17600000110.2N300 L305N300-A303 HydrophobicContact CB-CB 4.25Å; N300-A303 PolarHBondContact O-N 3.25Å; A303-L305 PolarHBondContact O-N 2.87Å
304P74.7Confident80.4Confident119 Ų119103.1 Ų103.177%0.77354%0.535SS*.PPolyproline II helixtrans-63.8122170.627-32.2000109
305L78.8Confident78.8Confident63 Ų63104.9 Ų104.933%0.3355%0.553SS.*PPolyproline II helixtrans-103.4129175-68.1175.6000109.9H293 R296 M297 A303H293-L305 PolarHBondContact NE2-O 2.97Å; R296-L305 HydrophobicContact CB-CD1 3.56Å; R296-L305 WeakPolarHBondContact O-CD1 3.34Å; M297-L305 HydrophobicContact CB-CD1 4.22Å; M297-L305 VanDerWaalsContact N-CD1 3.35Å; A303-L305 PolarHBondContact O-N 2.87Å
306T83.1Confident76.8Confident140 Ų140106.4 Ų106.486%0.85957%0.571SS**  trans-107.8134.6176.856.60000109.7
307M82.9Confident74.4Confident56 Ų56109.3 Ų109.328%0.27659%0.591SS.*  trans-154.7139.7176.9-169.7178.7-53.200110.9K289 H293 H309K289-M307 HydrophobicContact CB-SD 4.45Å; H293-M307 HydrophobicContact CB-CE 3.58Å; H293-M307 HydrophobicContact CB-SD 3.76Å; M307-H309 PolarHBondContact O-CD2 3.49Å; M307-H309 VanDerWaalsContact SD-CE1 3.59Å
308W87.4Confident73.9Confident240 Ų240110.9 Ų110.991%0.90960%0.601SS**  trans-80.2129.7169.9-67.4101.2000111.1
309H83.9Confident73.5Confident37 Ų37110.8 Ų110.817%0.17160%0.604CS.*  trans-117146.4171.4-63.6-76.6000109.4V280 E290 H293 M307V280-H309 HydrophobicContact CB-CB 4.27Å; V280-H309 HydrophobicContact CG2-CB 3.63Å; E290-H309 IonicContact OE1-ND1 2.64Å; H293-H309 AromaticContact CE1-NE2 3.84Å; H293-H309 AromaticContact CG-NE2 3.67Å; H293-H309 AromaticContact ND1-CE1 3.73Å; H293-H309 AromaticContact ND1-NE2 2.98Å; H293-H309 PolarHBondContact ND1-NE2 2.9Å; M307-H309 PolarHBondContact O-CD2 3.49Å; M307-H309 VanDerWaalsContact SD-CE1 3.59Å
310K86.3Confident72.8Confident176 Ų176111.3 Ų111.377%0.76561%0.607SS**PPolyproline II helixtrans-76.3132.2171.8-70.8-173177.3-175.80108.1L312K310-L312 PolarHBondContact O-N 2.83Å
311L86Confident72.2Confident72 Ų72113.2 Ų113.238%0.37762%0.618SS.*PPolyproline II helixtrans-69.9128.5171.5-62.2-180000108.9V265 I277V265-L311 HydrophobicContact CB-CD1 3.88Å; V265-L311 HydrophobicContact CG2-CD1 3.83Å; V265-L311 HydrophobicContact CG2-CD2 3.86Å; I277-L311 HydrophobicContact CG2-CD1 4.19Å
312L78.9Confident72.2Confident100 Ų100113.3 Ų113.352%0.52461%0.61SS.*BIsolated β-bridgetrans-83.5134169.7-59.3177.7000108.3G278 H279 K310G278-L312 CarbonylContact C-O 3.53Å; G278-L312 WeakPolarHBondContact CA-O 3.44Å; H279-L312 PolarHBondContact N-O 2.82Å; H279-L312 PolarHBondContact ND1-O 2.71Å; H279-L312 PolarHBondContact O-N 3.21Å; K310-L312 PolarHBondContact O-N 2.83Å
313A76Confident71.8Confident77 Ų77111.5 Ų111.564%0.63659%0.594SS**PPolyproline II helixtrans-55.5155.9172.900000110.3H279 S315H279-A313 PolarHBondContact CE1-O 3.18Å; A313-S315 PolarHBondContact O-N 3.23Å
314K61.2Low71.4Confident144 Ų144116.2 Ų116.263%0.62661%0.609SS**PPolyproline II helixtrans-52126.5171.4-170.2-178.3178.1-173.90107.7P316K314-P316 WeakPolarHBondContact O-CD 3.2Å
315S47.6Very low71.2Confident76 Ų76116 Ų11653%0.53160%0.597SS.*PPolyproline II helixtrans-57.6121.8170.146.40000107.3A313 Q317A313-S315 PolarHBondContact O-N 3.23Å; S315-Q317 PolarHBondContact O-N 3.39Å
316P40.3Very low70.6Confident125 Ų125120.4 Ų120.481%0.81262%0.619SS**PPolyproline II helixtrans-59.4127.1167.724.7-29.4000107.1K314K314-P316 WeakPolarHBondContact O-CD 3.2Å
317Q33.1Very low69.4Low202 Ų202118.6 Ų118.694%0.94460%0.597SS**  trans-660164.4-85175.9-44.800109.5D91 S315D91-Q317 PolarHBondContact OD1-NE2 3.11Å; D91-Q317 PolarHBondContact OD2-NE2 3Å; S315-Q317 PolarHBondContact O-N 3.39Å

Retrieved 317 of 317 residues in 512.9 ms (Link to these results)