A0A077ZL37_TRITR Loading...

Uncharacterized protein

AlphaFold DB , UniProt , Accession A0A077ZL37, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 378 aa.

Structure Viewer
Loading PAE data...
(Predicted Aligned Error values between residue pairs)
Error loading PAE data: please refresh the page.

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
1M48.3Very low51Low236 Ų236143.1 Ų143.1100%1.16382%0.815SS**  092.80-68.4-58.2-179.600108.8
2P59.2Low50.6Low134 Ų134137.8 Ų137.887%0.8782%0.815SS**  trans-95.7171.8-178.537-32000113.3
3V45.8Very low50.8Low147 Ų147135.5 Ų135.589%0.89182%0.821SS**  trans-105150.8-167.9174.60000111.7
4G47.4Very low50.9Low55 Ų55139.6 Ų139.657%0.56783%0.827SS**  trans101.1125.3147.100000118
5N56.5Low50.9Low141 Ų141145.9 Ų145.975%0.75483%0.83SS**  179.3150.996.8-89.9-14.4000112.9Y7N5-Y7 HydrophobicContact CB-CE2 4.44Å
6S41.8Very low51Low112 Ų112151.7 Ų151.778%0.78384%0.835SS**  trans-141.7121.2172.9-65.60000110.1
7Y55.7Low50.9Low198 Ų198154.9 Ų154.978%0.77684%0.838SS**  trans-149.2121.2171.5-65.5-76.9000106.7N5N5-Y7 HydrophobicContact CB-CE2 4.44Å
8S49.7Very low51Low103 Ų103150 Ų15072%0.7283%0.83SS**  64116.874.1-158.80000111.2
9T52.3Low51.1Low127 Ų127149.8 Ų149.878%0.77983%0.826SS**  -164.7148.661.836.10000109.7
10K52.2Low50.9Low199 Ų199150 Ų15087%0.86582%0.821SS**  81.7154.364.2-96.9-161.3176.4-179.90115.6
11P52Low51Low122 Ų122151.9 Ų151.979%0.79282%0.823SS**  -135.1177.6-121.843.4-26.6000117.9
12G46Very low51Low80 Ų80149.8 Ų149.883%0.82581%0.811SS**  trans109.3133.614300000118.7
13A53.4Low50.4Low108 Ų108147.5 Ų147.589%0.89381%0.811SS**  trans-153.6139.3160.500000111.4
14H52.2Low50.5Low193 Ų193144.4 Ų144.489%0.89481%0.81SS**  trans-105.3178.2-171.3-97.6-69.4000113.9
15R50.6Low50.6Low233 Ų233149.6 Ų149.688%0.87982%0.823SS**  trans82.1132.9154.4-84175.1171-178.5-3.1116.1
16R53Low50.5Low239 Ų239151.5 Ų151.590%0.90283%0.827SS**  cis-150.1163.744.5-71.2179.2177.9-160-2.8113.6
17K48.9Very low50.5Low207 Ų207153.4 Ų153.490%0.982%0.823SS**  trans-105.2155.7167.2-66.7-178.1175.9-1760110.6
18G53.3Low50.2Low66 Ų66148.6 Ų148.668%0.6882%0.816SS**  trans-149.1125.8148.100000106.1
19L53.1Low50Low147 Ų147149.3 Ų149.377%0.7782%0.816SS**  47.6128.170.9-82.282.2000111
20E46.7Very low49.9Very low152 Ų152146.9 Ų146.971%0.7182%0.817SS**  cis173.3153-3.3-123.9178.5147.300103.3
21H54.1Low49.3Very low190 Ų190145.1 Ų145.188%0.8882%0.817SS**  trans172.9120.1136.3-98.561.2000109.7
22Q47.1Very low48.8Very low193 Ų193144.8 Ų144.890%0.90282%0.818SS**  trans-96.1155.8164.7-59.6177.333.800108.7
23G46.9Very low48.7Very low85 Ų85148.8 Ų148.888%0.87682%0.819SS**  trans159.313416500000113.8
24G47.4Very low48.3Very low83 Ų83151.5 Ų151.586%0.85681%0.813SS**  trans125.671169.200000115.1
25I49Very low47.5Very low164 Ų164148.3 Ų148.384%0.84181%0.81SS**  trans-87.9128.7164.8-60.2171.9000107.9
26H54.4Low47.1Very low180 Ų180142.6 Ų142.683%0.83380%0.8SS**  trans-158.1105.5157.9-129.7-90.2000111.9
27E43.6Very low46.5Very low153 Ų153136.4 Ų136.472%0.71579%0.794SS**  trans-105.9142.1151.5-111.9-80144.900104.4T29E27-T29 PolarHBondContact OE2-N 3.24Å
28P49.1Very low45.9Very low97 Ų97135.5 Ų135.563%0.6379%0.793SS**  -148.314488.736.6-18.9000116.2
29T45.7Very low45.1Very low117 Ų117138.5 Ų138.572%0.71880%0.798SS**  46.3113.5124.4-47.10000118.2E27E27-T29 PolarHBondContact OE2-N 3.24Å
30G48.6Very low44.4Very low77 Ų77140 Ų14079%0.79480%0.801SS**  trans-162.6101.3165.500000112.5
31D40.3Very low44.2Very low161 Ų161137.8 Ų137.886%0.86180%0.8SS**  trans-64.6134.4178.7-65.6-63.2000112.9
32S42Very low43.3Very low116 Ų116136.6 Ų136.681%0.81180%0.799SS**  trans-159.8128.9145.9-161.60000112.3
33L42.8Very low43Very low164 Ų164132.2 Ų132.286%0.85980%0.796SS**  trans-85.8122-176.7-66.7164000111.6
34Q44.6Very low42.6Very low164 Ų164138.9 Ų138.977%0.76680%0.795SS**  trans-148.3116.6159.9-75.9-59.1-47.900110.9
35P36.1Very low41.9Very low126 Ų126140.3 Ų140.382%0.81879%0.791SS**  trans-101.198.9171.334.2-25.8000110.8
36V43.1Very low41.4Very low113 Ų113139 Ų13969%0.68579%0.785SS**  trans-132.3116.9178.7-175.90000112.2
37S39.2Very low40.6Very low109 Ų109141.6 Ų141.676%0.76279%0.788SS**  trans43.8102.8163.563.70000119.4
38Q36.8Very low40.2Very low189 Ų189141 Ų14188%0.88379%0.789SS**  trans-72135.9152.2-62.7171.8-14.900110.2
39T35.8Very low39.7Very low129 Ų129145.5 Ų145.579%0.79180%0.799SS**  trans150.987.6140.1-61.60000110.7
40E38.8Very low39.2Very low178 Ų178149.8 Ų149.883%0.83280%0.802SS**  trans-107.9113.1164.8-91.8-66145.900109L42E40-L42 PolarHBondContact O-N 2.73Å
41P42.2Very low38.7Very low106 Ų106151.2 Ų151.269%0.68880%0.795SS**  trans-79.6105.7179.530.5-31.4000110.6A43P41-A43 PolarHBondContact O-N 2.98Å
42L36.3Very low38.8Very low165 Ų165150 Ų15086%0.86479%0.787SS**  trans-38.7105.7172.1-92.4162.1000112.6E40 R44E40-L42 PolarHBondContact O-N 2.73Å; L42-R44 VanDerWaalsContact C-N 3.34Å; L42-R44 PolarHBondContact O-N 2.97Å
43A40.9Very low39.4Very low100 Ų100148 Ų14883%0.82677%0.77SS**  trans-65.289.3177.700000110.7P41 S45P41-A43 PolarHBondContact O-N 2.98Å; A43-S45 PolarHBondContact O-N 3.18Å
44R37Very low39.7Very low226 Ų226146.2 Ų146.285%0.85377%0.766SS**  trans-62.7103.1174.6-71.8-178.2179.3168.90.9109.2L42 L46L42-R44 VanDerWaalsContact C-N 3.34Å; L42-R44 PolarHBondContact O-N 2.97Å; R44-L46 PolarHBondContact O-N 3.01Å
45S34.7Very low40Very low112 Ų112141.9 Ų141.978%0.78375%0.752SS**  trans-60.894.1174.4-179.60000110.9A43 R47A43-S45 PolarHBondContact O-N 3.18Å; S45-R47 PolarHBondContact O-N 3.22Å; S45-R47 VanDerWaalsContact O-N 3.14Å
46L36.9Very low40.3Very low137 Ų137140.7 Ų140.772%0.71775%0.753SS**  trans-68.6106.3178.6-68.4172.9000109.7R44 N48R44-L46 PolarHBondContact O-N 3.01Å; L46-N48 VanDerWaalsContact C-N 3.34Å; L46-N48 PolarHBondContact O-N 2.86Å
47R37.5Very low40.2Very low234 Ų234141.1 Ų141.188%0.88376%0.755SS**  trans-71.685.8177.1-62.7-170.1-158.1-135.76.5111S45 K49S45-R47 PolarHBondContact O-N 3.22Å; S45-R47 VanDerWaalsContact O-N 3.14Å; R47-K49 PolarHBondContact O-N 3.4Å
48N36.2Very low39.8Very low140 Ų140146.3 Ų146.375%0.74976%0.76SS**  trans-62.2101.3173.8-68.2-44.3000111.4L46L46-N48 VanDerWaalsContact C-N 3.34Å; L46-N48 PolarHBondContact O-N 2.86Å
49K37.7Very low40Very low193 Ų193139.8 Ų139.884%0.83973%0.734SS**  trans-80129.6168.4-71.3-175.9179.2179.10109.6R47R47-K49 PolarHBondContact O-N 3.4Å
50R34.9Very low40.3Very low207 Ų207137.6 Ų137.678%0.78171%0.711SS**  trans-105121.3176.5-65.8178.5174.4-155.4-4.6108.8
51V38.1Very low40.5Very low106 Ų106133.4 Ų133.464%0.64269%0.694SS**  trans-107.7137.9169.5-172.50000107.9V53V51-V53 HydrophobicContact CG1-CG2 3.81Å
52I43.1Very low40.5Very low135 Ų135134 Ų13469%0.69270%0.695SS**  trans-122.8114.1173.1-59.4175.6000105.8
53V55.6Low40.5Very low75 Ų75130 Ų13046%0.45567%0.672SS.*  trans-112.1130.8176.2-172.60000108.2V51 P55 F64V51-V53 HydrophobicContact CG1-CG2 3.81Å; V53-P55 WeakPolarHBondContact O-CD 3.21Å; V53-F64 HydrophobicContact CG1-CE1 4.25Å; V53-F64 HydrophobicContact CG1-CZ 3.91Å
54T48.6Very low40.6Very low126 Ų126128.7 Ų128.777%0.77365%0.648SS**  trans-101.495.5171.9-55.40000108A56T54-A56 PolarHBondContact O-N 2.78Å; T54-A56 VanDerWaalsContact O-N 3.08Å
55P51.3Low40.6Very low74 Ų74122.3 Ų122.348%0.48163%0.631SS.*  trans-68109177.627.1-33.3000109.8V53 V57 P59V53-P55 WeakPolarHBondContact O-CD 3.21Å; P55-V57 VanDerWaalsContact C-N 3.31Å; P55-P59 HydrophobicContact CB-CG 3.9Å
56A41.5Very low41Very low101 Ų101124.8 Ų124.884%0.83563%0.629SS**SBendtrans-76.4-22.2173.700000112.6T54T54-A56 PolarHBondContact O-N 2.78Å; T54-A56 VanDerWaalsContact O-N 3.08Å
57V40.7Very low40.8Very low121 Ų121126.2 Ų126.273%0.73363%0.63SS**SBendtrans-141.7147.2171.6179.90000105.9P55 P59P55-V57 VanDerWaalsContact C-N 3.31Å; V57-P59 WeakPolarHBondContact O-CD 3.23Å; V57-P59 VanDerWaalsContact O-CG 3.23Å; V57-P59 WeakPolarHBondContact O-CG 3.46Å; V57-P59 VanDerWaalsContact O-N 3.1Å
58Y31.6Very low40.6Very low219 Ų219121 Ų12186%0.85962%0.619SS**  trans-54.6108.9178.2-87.9-92.3000111.8
59P40.9Very low40.4Very low52 Ų52120.7 Ų120.734%0.33862%0.616SS.*  trans-92.7133.31770.822.3000108.3P55 V57 L61 F64P55-P59 HydrophobicContact CB-CG 3.9Å; V57-P59 WeakPolarHBondContact O-CD 3.23Å; V57-P59 VanDerWaalsContact O-CG 3.23Å; V57-P59 WeakPolarHBondContact O-CG 3.46Å; V57-P59 VanDerWaalsContact O-N 3.1Å; P59-L61 PolarHBondContact O-N 3.13Å; P59-F64 HydrophobicContact CB-CD2 3.98Å; P59-F64 HydrophobicContact CB-CE2 3.39Å; P59-F64 HydrophobicContact CB-CZ 3.71Å; P59-F64 HydrophobicContact CG-CD2 4.48Å; P59-F64 HydrophobicContact CG-CE2 3.45Å; P59-F64 VanDerWaalsContact CG-CE2 3.45Å; P59-F64 HydrophobicContact CG-CZ 3.58Å
60R41Very low40.3Very low82 Ų82120.1 Ų120.131%0.30962%0.617SS.*  trans-67.4129.2-172.9-61.4160.672.6-157.614.2108V62 E63 F64R60-V62 PolarHBondContact O-N 3.14Å; R60-E63 HydrophobicContact CB-CB 4.36Å; R60-E63 HydrophobicContact CB-CG 4.2Å; R60-E63 WeakPolarHBondContact CB-OE2 3.1Å; R60-E63 WeakPolarHBondContact CD-OE1 3.23Å; R60-E63 WeakPolarHBondContact CD-OE2 3.21Å; R60-E63 IonicContact CZ-OE1 2.97Å; R60-E63 IonicContact NE-OE1 3.49Å; R60-E63 IonicContact NH1-OE1 2.79Å; R60-E63 PolarHBondContact NH1-OE1 2.76Å; R60-E63 WeakPolarHBondContact O-CB 3.34Å; R60-E63 PolarHBondContact O-N 3.09Å; R60-F64 PolarHBondContact O-N 3.27Å
61L43Very low39.9Very low91 Ų91113.6 Ų113.648%0.47660%0.603SS.*Hα-helixtrans-53.7-28.4-177.7-95.4154000113.5P59 I334P59-L61 PolarHBondContact O-N 3.13Å; L61-I334 HydrophobicContact CD2-CD1 4.08Å
62V42.2Very low39.6Very low117 Ų117115.4 Ų115.471%0.70961%0.614SS**Hα-helixtrans-73.7-34.3174.6171.10000112.9R60 L65R60-V62 PolarHBondContact O-N 3.14Å; V62-L65 PolarHBondContact O-N 3.23Å
63E37.7Very low39Very low82 Ų82112.9 Ų112.938%0.38362%0.622SS.*Hα-helixtrans-72.7-38.7178.4-75.1165.2175.400111.3R60 L65 H66 F67R60-E63 HydrophobicContact CB-CB 4.36Å; R60-E63 HydrophobicContact CB-CG 4.2Å; R60-E63 WeakPolarHBondContact CB-OE2 3.1Å; R60-E63 WeakPolarHBondContact CD-OE1 3.23Å; R60-E63 WeakPolarHBondContact CD-OE2 3.21Å; R60-E63 IonicContact CZ-OE1 2.97Å; R60-E63 IonicContact NE-OE1 3.49Å; R60-E63 IonicContact NH1-OE1 2.79Å; R60-E63 PolarHBondContact NH1-OE1 2.76Å; R60-E63 WeakPolarHBondContact O-CB 3.34Å; R60-E63 PolarHBondContact O-N 3.09Å; E63-L65 PolarHBondContact O-N 2.94Å; E63-H66 PolarHBondContact O-N 3.38Å; E63-F67 PolarHBondContact O-N 3.04Å
64F41.5Very low37.7Very low72 Ų72117.2 Ų117.232%0.31664%0.637SS.*Hα-helixtrans-57.1-36.9173.5-90.5-55.2000113.4V53 P59 R60 H66V53-F64 HydrophobicContact CG1-CE1 4.25Å; V53-F64 HydrophobicContact CG1-CZ 3.91Å; P59-F64 HydrophobicContact CB-CD2 3.98Å; P59-F64 HydrophobicContact CB-CE2 3.39Å; P59-F64 HydrophobicContact CB-CZ 3.71Å; P59-F64 HydrophobicContact CG-CD2 4.48Å; P59-F64 HydrophobicContact CG-CE2 3.45Å; P59-F64 VanDerWaalsContact CG-CE2 3.45Å; P59-F64 HydrophobicContact CG-CZ 3.58Å; R60-F64 PolarHBondContact O-N 3.27Å; F64-H66 PolarHBondContact O-N 3.24Å
65L38.1Very low36.8Very low93 Ų93121.8 Ų121.849%0.48765%0.646SS.*Hα-helixtrans-71.2-17.2177.6-81.6159.3000113.2V62 E63V62-L65 PolarHBondContact O-N 3.23Å; E63-L65 PolarHBondContact O-N 2.94Å
66H41.8Very low36.1Very low163 Ų163123 Ų12376%0.75566%0.656SS**Hα-helixtrans-115.4-14.2-172.4-156.2-85.5000114.5E63 F64E63-H66 PolarHBondContact O-N 3.38Å; F64-H66 PolarHBondContact O-N 3.24Å
67F33.1Very low35.5Very low167 Ų167126.1 Ų126.173%0.73265%0.654SS**Hα-helixtrans-117.3-17.1-171.9-100.5-86.8000117.6E63E63-F67 PolarHBondContact O-N 3.04Å
68D34.7Very low35.1Very low124 Ų124126 Ų12666%0.66366%0.657SS**  trans-142.551-169-155.416.1000115.7
69I31.2Very low35.1Very low134 Ų134120.6 Ų120.669%0.68765%0.646SS**  trans-118.948.9158.2-41-179.1000109.5S71I69-S71 VanDerWaalsContact C-N 3.28Å; I69-S71 PolarHBondContact O-N 2.79Å
70Q34.7Very low34.5Very low181 Ų181123.9 Ų123.985%0.84666%0.661SS**  trans-72.589.7163-72.9-161.8-900108.7T72Q70-T72 PolarHBondContact O-N 3.41Å
71S27.9Very low34.1Very low71 Ų71125.2 Ų125.250%0.49768%0.678SS.*  trans-58.8126.7-17959.60000111.3I69 G73I69-S71 VanDerWaalsContact C-N 3.28Å; I69-S71 PolarHBondContact O-N 2.79Å; S71-G73 PolarHBondContact O-N 3.49Å
72T32.4Very low33.6Very low143 Ų143126.8 Ų126.888%0.87769%0.687SS**THydrogen-bonded Turntrans-56.9108.7171.639.70000111.3Q70Q70-T72 PolarHBondContact O-N 3.41Å
73G29.5Very low33.1Very low82 Ų82129.3 Ų129.385%0.84569%0.691SS**THydrogen-bonded Turntrans897.8154.500000119.3S71S71-G73 PolarHBondContact O-N 3.49Å
74Q27.6Very low32.9Very low167 Ų167136.4 Ų136.478%0.7871%0.714SS**  trans-135.1126.2169.1-87.4-172.6-20.900112.8S76Q74-S76 PolarHBondContact O-N 3.32Å; Q74-S76 VanDerWaalsContact O-N 3.15Å
75K31.5Very low32.6Very low222 Ų222139 Ų13997%0.96574%0.738SS**  trans-67.5103.2167.9-79.6179170179.40109.3
76S34.9Very low32.4Very low99 Ų99139.4 Ų139.469%0.69275%0.749SS**  trans-85.4139.4157.9510000109.5Q74 C78Q74-S76 PolarHBondContact O-N 3.32Å; Q74-S76 VanDerWaalsContact O-N 3.15Å; S76-C78 PolarHBondContact O-N 2.93Å
77H29.1Very low32.1Very low167 Ų167137.8 Ų137.877%0.77374%0.741SS**  trans-78114.7-176-175.1-65.3000110V79H77-V79 PolarHBondContact O-N 2.81Å
78C33Very low31.9Very low119 Ų119133.9 Ų133.980%0.80473%0.734SS**  trans-65.398.7171.4-56.20000109.4S76 N80S76-C78 PolarHBondContact O-N 2.93Å; C78-N80 PolarHBondContact O-N 2.87Å
79V30.7Very low31.7Very low105 Ų105132.2 Ų132.264%0.63672%0.721SS**  trans-79.2100.7166.3179.30000107H77 T81H77-V79 PolarHBondContact O-N 2.81Å; V79-T81 HydrophobicContact CG1-CG2 4.16Å; V79-T81 PolarHBondContact O-N 2.95Å; V79-T81 VanDerWaalsContact O-N 3.13Å
80N29.7Very low31.9Very low120 Ų120127.8 Ų127.864%0.64270%0.7SS**  trans-67.6105.9168.3-17346.2000108.4C78 D82C78-N80 PolarHBondContact O-N 2.87Å; N80-D82 VanDerWaalsContact ND2-CG 3.25Å; N80-D82 PolarHBondContact ND2-OD1 3.15Å; N80-D82 PolarHBondContact ND2-OD2 3.15Å; N80-D82 VanDerWaalsContact ND2-OD2 3.14Å
81T32.4Very low32Very low111 Ų111120.6 Ų120.668%0.68167%0.668SS**  trans-103.4103.5167.133.90000108.6V79 H83V79-T81 HydrophobicContact CG1-CG2 4.16Å; V79-T81 PolarHBondContact O-N 2.95Å; V79-T81 VanDerWaalsContact O-N 3.13Å; T81-H83 PolarHBondContact O-N 3.35Å
82D31.8Very low32.5Very low124 Ų124120.2 Ų120.266%0.66366%0.659SS**  trans-68.228.6-176.6-62-67.4000114.6N80N80-D82 VanDerWaalsContact ND2-CG 3.25Å; N80-D82 PolarHBondContact ND2-OD1 3.15Å; N80-D82 PolarHBondContact ND2-OD2 3.15Å; N80-D82 VanDerWaalsContact ND2-OD2 3.14Å
83H31.9Very low32.7Very low169 Ų169115.7 Ų115.778%0.78263%0.629SS**SBendtrans-131.587.8-167.4-72.8-11.1000113.1T81T81-H83 PolarHBondContact O-N 3.35Å
84R33.4Very low33Very low232 Ų232117.7 Ų117.788%0.87562%0.617SS**  trans68.8124.8150.9-166.8180-178.7-176.91115.8S86R84-S86 PolarHBondContact O-N 2.91Å; R84-S86 VanDerWaalsContact O-N 3.09Å
85P35Very low33.3Very low125 Ų125113.1 Ų113.181%0.81260%0.603SS**PPolyproline II helixtrans-63.7117.5179.126.2-33.6000110.8
86S34.5Very low33.5Very low102 Ų102106.2 Ų106.271%0.71358%0.577SS**PPolyproline II helixtrans-65.4144.2168.645.20000110.1R84 C88R84-S86 PolarHBondContact O-N 2.91Å; R84-S86 VanDerWaalsContact O-N 3.09Å; S86-C88 PolarHBondContact O-N 3.17Å
87Q35Very low33.5Very low129 Ų129104.9 Ų104.960%0.60357%0.567SS**PPolyproline II helixtrans-72.6117.8178.3-68.1173.5-1000109.5F89Q87-F89 HydrophobicContact CB-CE2 4.18Å
88C29Very low33.9Very low86 Ų86102.8 Ų102.858%0.58157%0.572SS**EExtended strand (participates in β ladder)trans-92.5115.3174.8-66.10000110.1S86S86-C88 PolarHBondContact O-N 3.17Å
89F31.7Very low33.9Very low88 Ų88100.6 Ų100.639%0.38656%0.557SS.*EExtended strand (participates in β ladder)trans-88.5128.2170.4-59.6-96.8000109.1Q87 N106Q87-F89 HydrophobicContact CB-CE2 4.18Å; F89-N106 WeakPolarHBondContact CE1-OD1 3.28Å
90V34.7Very low34Very low41 Ų41101.1 Ų101.125%0.24856%0.562CS.*EExtended strand (participates in β ladder)trans-111.7113.9175.6179.70000107.7I92 I334V90-I92 HydrophobicContact CG1-CG1 4.15Å; V90-I334 HydrophobicContact CG1-CB 4.46Å; V90-I334 HydrophobicContact CG1-CD1 3.47Å; V90-I334 VanDerWaalsContact CG1-CD1 3.47Å; V90-I334 HydrophobicContact CG1-CG1 3.83Å
91L36.1Very low34.2Very low31 Ų31100.2 Ų100.216%0.16256%0.564CS.*EExtended strand (participates in β ladder)trans-94.6112.5174.7-172.961.9000109.6I93 L104 V332 Y333 I334L91-I93 HydrophobicContact CD2-CD1 4.18Å; L91-I93 HydrophobicContact CD2-CG1 4.23Å; L91-I93 HydrophobicContact CG-CG1 4.09Å; L91-L104 HydrophobicContact CD1-CD2 4.38Å; L91-V332 PolarHBondContact N-O 3.08Å; L91-V332 VanDerWaalsContact N-O 3.11Å; L91-Y333 HydrophobicContact CB-CD1 4.2Å; L91-Y333 HydrophobicContact CD2-CD1 3.83Å; L91-Y333 HydrophobicContact CD2-CE1 3.62Å; L91-Y333 HydrophobicContact CG-CD1 4.34Å; L91-Y333 CarbonylContact O-C 3.59Å; L91-Y333 VanDerWaalsContact O-CA 3.32Å; L91-Y333 WeakPolarHBondContact O-CA 3.19Å; L91-I334 PolarHBondContact O-N 3.44Å
92I38.5Very low34.4Very low62 Ų62101.4 Ų101.432%0.31856%0.562SS.*EExtended strand (participates in β ladder)trans-92118175.3-53.3179.7000108.2V90 I334 V336V90-I92 HydrophobicContact CG1-CG1 4.15Å; I92-I334 CarbonylContact C-O 3.57Å; I92-I334 VanDerWaalsContact CA-O 3.24Å; I92-I334 WeakPolarHBondContact CA-O 3.28Å; I92-I334 HydrophobicContact CG1-CB 4.37Å; I92-I334 WeakPolarHBondContact CG2-O 3.46Å; I92-V336 HydrophobicContact CG2-CG2 4.32Å
93I37Very low34.7Very low49 Ų49103.6 Ų103.625%0.25156%0.561SS.*EExtended strand (participates in β ladder)trans-111.1123.7175.3-57.7178.1000108.4L91 Y333 I334 F335L91-I93 HydrophobicContact CD2-CD1 4.18Å; L91-I93 HydrophobicContact CD2-CG1 4.23Å; L91-I93 HydrophobicContact CG-CG1 4.09Å; I93-Y333 HydrophobicContact CD1-CD1 3.72Å; I93-Y333 HydrophobicContact CD1-CE1 4.23Å; I93-Y333 HydrophobicContact CG1-CD1 4.49Å; I93-I334 PolarHBondContact N-O 2.89Å; I93-F335 HydrophobicContact CB-CD1 3.66Å; I93-F335 HydrophobicContact CB-CE1 3.51Å; I93-F335 HydrophobicContact CB-CZ 4.25Å; I93-F335 HydrophobicContact CD1-CE1 4.02Å; I93-F335 HydrophobicContact CD1-CZ 4.03Å; I93-F335 HydrophobicContact CG1-CE1 4.3Å; I93-F335 HydrophobicContact CG2-CD1 3.88Å; I93-F335 HydrophobicContact CG2-CE1 3.56Å; I93-F335 VanDerWaalsContact O-CA 3.29Å; I93-F335 WeakPolarHBondContact O-CA 3.43Å; I93-F335 WeakPolarHBondContact O-CD1 3.24Å
94Q35.8Very low34.7Very low124 Ų124101.9 Ų101.958%0.57956%0.557SS**  trans-93.5106.7176.8-172.5178.6-31.300109.6D96Q94-D96 PolarHBondContact O-N 3.34Å; Q94-D96 VanDerWaalsContact O-N 3.14Å
95S34.1Very low34.8Very low71 Ų7196.8 Ų96.850%0.49754%0.541SS..  trans-72.70.7-175.2-55.70000115.5F335S95-F335 WeakPolarHBondContact OG-CD1 3.42Å
96D35.8Very low34.7Very low76 Ų7697 Ų9741%0.40654%0.535SS..SBendtrans-109.324-161.2-58.712.4000112.2Q94 S337 R338Q94-D96 PolarHBondContact O-N 3.34Å; Q94-D96 VanDerWaalsContact O-N 3.14Å; D96-S337 VanDerWaalsContact OD1-CB 3.26Å; D96-S337 WeakPolarHBondContact OD1-CB 3.32Å; D96-S337 PolarHBondContact OD1-OG 3.28Å; D96-S337 WeakPolarHBondContact OD2-CA 3.45Å; D96-S337 WeakPolarHBondContact OD2-CB 3.45Å; D96-R338 PolarHBondContact OD2-N 3.34Å
97S34.6Very low34.8Very low71 Ų7195.8 Ų95.850%0.49753%0.532SS..SBendtrans-142.1144.2178.3-175.50000111.4C99S97-C99 PolarHBondContact O-N 3.08Å; S97-C99 VanDerWaalsContact O-N 3.15Å; S97-C99 PolarHBondContact OG-N 3.26Å
98S37.4Very low34.6Very low124 Ų12491.8 Ų91.887%0.86753%0.525SS*.SBendtrans-69.11.2173.1430000114.3
99C33.3Very low34.8Very low72 Ų7298.1 Ų98.149%0.48654%0.537SS..SBendtrans-123.4118.3179.1-58.20000110.6S97 C101S97-C99 PolarHBondContact O-N 3.08Å; S97-C99 VanDerWaalsContact O-N 3.15Å; S97-C99 PolarHBondContact OG-N 3.26Å; C99-C101 PolarHBondContact O-N 3.11Å
100P31.5Very low35Very low116 Ų11699.2 Ų99.275%0.75356%0.555SS**  trans-76.485.8178.730.2-34.1000112H102P100-H102 PolarHBondContact O-N 3.3Å
101C35.6Very low34.7Very low102 Ų102100.8 Ų100.869%0.68958%0.579SS**  trans-8193.9174.4-63.90000111.3C99C99-C101 PolarHBondContact O-N 3.11Å
102H35.3Very low34.6Very low136 Ų136107.4 Ų107.463%0.6361%0.614SS**  trans-71.7126.7173-76-118.8000111.3P100P100-H102 PolarHBondContact O-N 3.3Å
103R38.2Very low34.4Very low170 Ų170109.3 Ų109.364%0.64263%0.633SS**EExtended strand (participates in β ladder)trans-121.4118.1164.2-70-170.8-174.5178.63.1110.2F105R103-F105 HydrophobicContact CB-CD2 4.44Å; R103-F105 HydrophobicContact CB-CE2 3.88Å
104L33.3Very low34.2Very low133 Ų133118.4 Ų118.470%0.69666%0.664SS**EExtended strand (participates in β ladder)trans-89.4131169.8-82.4156.5000109.5L91L91-L104 HydrophobicContact CD1-CD2 4.38Å
105F35.4Very low34.2Very low124 Ų124116.6 Ų116.654%0.54467%0.671SS.*EExtended strand (participates in β ladder)trans-119.4123.5170.7-71.3-82.4000109.7R103R103-F105 HydrophobicContact CB-CD2 4.44Å; R103-F105 HydrophobicContact CB-CE2 3.88Å
106N32.5Very low34.2Very low129 Ų129116.3 Ų116.369%0.6968%0.679SS**EExtended strand (participates in β ladder)trans-88.8110.3176.5-77.7-16000110.7F89 G108F89-N106 WeakPolarHBondContact CE1-OD1 3.28Å; N106-G108 PolarHBondContact O-N 3.08Å
107A36.5Very low34.2Very low77 Ų77121.5 Ų121.564%0.63670%0.701SS**EExtended strand (participates in β ladder)trans-90.377.2166.800000109.8
108G31.4Very low34.1Very low45 Ų45121.5 Ų121.546%0.46471%0.705SS.*  trans-138.8135.4-175.400000113.5N106N106-G108 PolarHBondContact O-N 3.08Å
109R31.7Very low34Very low220 Ų220122.8 Ų122.883%0.8370%0.697SS**  trans-96.9109.8-170.5-167.6-173-167.8-150.77.2112.4
110S35.8Very low34Very low111 Ų111125.7 Ų125.778%0.77671%0.713SS**  trans166.7141.9155.550.50000107
111G29.4Very low34.2Very low73 Ų73124.2 Ų124.275%0.75371%0.71SS**  cis91.460.110.100000111.5
112L34.2Very low34.1Very low170 Ų170126.3 Ų126.389%0.8971%0.71SS**  trans-168.2138.7160.1-105.2162.7000111.6
113S34Very low34.2Very low102 Ų102124.8 Ų124.871%0.71371%0.71SS**  trans54.3126164.8-1500000122.5A115S113-A115 VanDerWaalsContact C-N 3.32Å; S113-A115 PolarHBondContact O-N 3.32Å
114R33.4Very low34.1Very low240 Ų240123.5 Ų123.591%0.90672%0.721SS**THydrogen-bonded Turntrans-77.368173.4-173.7-174.6-173.9-173.62.2110.6
115A35.7Very low34.2Very low87 Ų87127 Ų12772%0.71972%0.724SS**THydrogen-bonded Turntrans-144.7-13.1179.600000115.9S113S113-A115 VanDerWaalsContact C-N 3.32Å; S113-A115 PolarHBondContact O-N 3.32Å
116G34Very low34.3Very low65 Ų65123.6 Ų123.667%0.6772%0.72SS**  trans-9513.4-173.900000116.3A118G116-A118 VanDerWaalsContact C-N 3.29Å; G116-A118 PolarHBondContact O-N 2.87Å; G116-A118 VanDerWaalsContact O-N 3.15Å
117Q35.5Very low34.6Very low184 Ų184126.3 Ų126.386%0.8673%0.728SS**THydrogen-bonded Turntrans-85.717.2-158.8-143.6171.5-24.500115.5
118A32.7Very low34.6Very low72 Ų72127.2 Ų127.260%0.59574%0.736SS**THydrogen-bonded Turntrans-117.6-8.8-169.500000116.6G116G116-A118 VanDerWaalsContact C-N 3.29Å; G116-A118 PolarHBondContact O-N 2.87Å; G116-A118 VanDerWaalsContact O-N 3.15Å
119H34.3Very low34.9Very low151 Ų151129.5 Ų129.570%0.69974%0.744SS**SBendtrans-114.517.6-161.9-63.1-64.8000117.3
120T34.4Very low35Very low133 Ų133126.8 Ų126.882%0.81675%0.746SS**SBendtrans-120.94.4178.447.70000115.2
121A34Very low35Very low84 Ų84127.4 Ų127.469%0.69475%0.747SS**SBendtrans-90.8-7.117500000114.3
122E35.4Very low35.2Very low146 Ų146130.8 Ų130.868%0.68275%0.753SS**SBendtrans-103-11.9-169.7-147.6-175.5151.100114.8V124E122-V124 VanDerWaalsContact C-N 3.31Å; E122-V124 PolarHBondContact O-N 2.77Å
123V36.7Very low35.3Very low105 Ų105127.1 Ų127.164%0.63675%0.747SS**THydrogen-bonded Turntrans-77.5-16-176.9-179.40000113
124V36.4Very low35.5Very low143 Ų143127 Ų12787%0.86775%0.752SS**THydrogen-bonded Turntrans-94.5-8.7-179.6178.10000112.9E122E122-V124 VanDerWaalsContact C-N 3.31Å; E122-V124 PolarHBondContact O-N 2.77Å
125R35.2Very low35.8Very low205 Ų205119.8 Ų119.877%0.77474%0.739SS**THydrogen-bonded Turntrans-111.1-13.5178.6-162.1171-81.6122.9-8.1114
126A37.3Very low36.1Very low54 Ų54123.5 Ų123.545%0.44674%0.741SS.*G310 helixtrans-87.3-9.5-176.800000116
127Q39.4Very low36.1Very low186 Ų186128.7 Ų128.787%0.86975%0.748SS**G310 helixtrans-90.53.7179.6-70-166.8-15.900114.7
128A36Very low36.1Very low96 Ų96124.1 Ų124.179%0.79374%0.742SS**G310 helixtrans-105.44.4-176.400000114.3
129S36.9Very low36.6Very low92 Ų92126.9 Ų126.964%0.64375%0.753SS**  trans-157.977.3-169.456.50000113.4
130L35.3Very low36.6Very low164 Ų164129.6 Ų129.686%0.85976%0.758SS**  trans-143.8125.4166.4-100.7157.7000109.1
131P35.3Very low36.8Very low123 Ų123131.8 Ų131.880%0.79976%0.763SS**  trans-93.2163-168.736.3-36.2000114.9
132T33.3Very low37.1Very low145 Ų145137.7 Ų137.789%0.8977%0.768SS**  trans-66.4137.6177.8-47.30000114.5
133A35.9Very low37.3Very low92 Ų92137.6 Ų137.676%0.7678%0.777SS**  trans-161.5134.8153.700000111.9
134A38.1Very low37.6Very low99 Ų99136.7 Ų136.782%0.81878%0.78SS**  trans57.8139.1174.600000116.2
135S39.5Very low37.9Very low89 Ų89136.7 Ų136.762%0.62278%0.775SS**  cis-168.8174.3-2.8-99.10000108.2
136E41.6Very low38.4Very low166 Ų166134 Ų13478%0.77678%0.781SS**  cis-142.3-175.610.7-149.463.591.300112.5
137E35.9Very low38.7Very low174 Ų174141.8 Ų141.881%0.81380%0.799SS**  trans-54.9134.7177.1-175.9179.3-174.700120.1
138A35.4Very low39.1Very low88 Ų88142.2 Ų142.273%0.72780%0.801SS**  trans-160.4151.514400000110.4
139P41.9Very low39.4Very low129 Ų129146.6 Ų146.684%0.83881%0.805SS**  trans-85.8156.7-147-16.533.3000117.9
140R35.6Very low39.8Very low209 Ų209154.4 Ų154.479%0.78982%0.82SS**  trans-82.5134.9178.2-64.3171.7168.3170-2.5112.3
141L37.8Very low40.3Very low178 Ų178158.8 Ų158.893%0.93283%0.825SS**  trans-120.4120.9148.6-81.5172000108.9
142R39.2Very low40.7Very low209 Ų209156.4 Ų156.479%0.78982%0.824SS**  trans-94.7130.8175.3-73.7-176.9171.7174.8-2.9109.2
143V41.1Very low41.5Very low144 Ų144154 Ų15487%0.87382%0.818SS**  trans-123.5105.4156.7-177.90000107.2
144A41.8Very low42.2Very low85 Ų85156.4 Ų156.470%0.70282%0.818SS**  trans-123.4158.1169.900000108.2
145D42.7Very low43Very low144 Ų144160.7 Ų160.777%0.7782%0.818SS**  trans56.4100.4178.8-82.7-45.3000118.3
146V45.8Very low43.2Very low147 Ų147162.6 Ų162.689%0.89183%0.829SS**  trans-125.278.4141.8-175.60000108.1
147R44.3Very low43.4Very low219 Ų219166.7 Ų166.783%0.82684%0.837SS**  trans-130.9134.1161.9-83.9-172.5171.9-179.6-1.2109.7
148Q47.8Very low43.8Very low195 Ų195162.3 Ų162.391%0.91183%0.831SS**  trans77.5161.4176.5-46.4-163.227.500117.2
149Q43Very low44.3Very low187 Ų187169.9 Ų169.987%0.87484%0.84SS**  trans78.261.3171.7-154.7166.8-17.700119.1
150R45Very low44.5Very low256 Ų256169.4 Ų169.497%0.96684%0.84SS**  trans-131.297.9130.1-74.4-163178.5-117.2-2.3110.7
151R46.2Very low45Very low256 Ų256170.8 Ų170.897%0.96685%0.845SS**  trans-93.6146.9161.3-68.2-176.4179.5-1681108.4
152G42.5Very low45.5Very low74 Ų74168 Ų16876%0.76384%0.838SS**  trans112.3133.8157.100000116.3
153A51.2Low45.7Very low94 Ų94162.9 Ų162.978%0.77784%0.84SS**  trans63.5134.3175.300000116.4
154D49.5Very low45.8Very low143 Ų143159.4 Ų159.477%0.76583%0.833SS**  cis-153.8156.61.4-125.8-39.6000113.6
155K55.1Low46.1Very low188 Ų188163.4 Ų163.482%0.81784%0.838SS**  trans11.4136.2167.6-73.9168.6178165.90123.5
156P44Very low46.3Very low129 Ų129163.7 Ų163.784%0.83884%0.839SS**  trans-115.4138.7151.336.9-26.5000114.6
157R46.1Very low46.3Very low253 Ų253161 Ų16196%0.95583%0.833SS**  trans-171.9147.8161.6-111.3-174172.3-167.6-1.4107.2
158A43.2Very low46.6Very low82 Ų82156.8 Ų156.868%0.67883%0.831SS**  cis171.4133.2-1900000105.9
159R46.9Very low46.6Very low246 Ų246153.5 Ų153.593%0.92883%0.827SS**  trans62.2147.2175.2-55.8-178.3172.1-159.7-3.5114.2
160S45.7Very low46.7Very low119 Ų119148 Ų14883%0.83282%0.82SS**  cis-155.7162.437-57.90000112.5
161R46.5Very low46.9Very low239 Ų239144.4 Ų144.490%0.90281%0.811SS**  trans-102.3146.2164.1-122.8176.6166.7172.6-5.7108.5
162P48.3Very low46.9Very low118 Ų118143.3 Ų143.377%0.76681%0.807SS**  -133.1161.8101.69.813.6000111.2
163A43.5Very low46.8Very low102 Ų102145 Ų14584%0.84381%0.808SS**  cis88.813241.300000114.1
164G43.5Very low46.5Very low71 Ų71145.6 Ų145.673%0.73281%0.806SS**  trans112.9135.3-177.600000113
165E46.8Very low46.7Very low170 Ų170143.2 Ų143.279%0.79480%0.8SS**  cis171166.4-26.1-110.7177.3155.400106
166N46.7Very low46.2Very low150 Ų150140.5 Ų140.580%0.80279%0.794SS**  trans78.2105.9170.6-48.8-45.8000116
167A47.6Very low46.2Very low91 Ų91144.9 Ų144.975%0.75279%0.794SS**  88.8133.877.200000111.3
168T50.2Low46.1Very low129 Ų129141.4 Ų141.479%0.79179%0.789SS**  cis-154.4151.123.5-52.80000110.4
169P47.7Very low46Very low127 Ų127143.2 Ų143.283%0.82580%0.797SS**  trans-94.3159.6-178.236.5-35.5000115.2
170G45.1Very low45.8Very low70 Ų70135.4 Ų135.472%0.72279%0.785SS**  trans-150.4101.9-17800000117.4
171K49.4Very low45.5Very low181 Ų181136.3 Ų136.379%0.78779%0.785SS**  trans65.3116.6150.4-61.8178.4-178.9174.60121.3
172R44.6Very low45.6Very low234 Ų234129.1 Ų129.188%0.88378%0.777SS**  59.3137.9122.6-58.6174.5-176.4-176.3-1.3118.4
173S42Very low45.4Very low110 Ų110129.2 Ų129.277%0.76978%0.778SS**  cis-151.815612.6-1720000112
174S44.9Very low45.2Very low106 Ų106132.3 Ų132.374%0.74178%0.78SS**  trans-58.9160.715648.30000111.3
175S52Low45.1Very low92 Ų92134.6 Ų134.664%0.64378%0.78SS**  cis-160179.343.857.80000116
176D46.3Very low44.6Very low131 Ų131135 Ų13570%0.70179%0.787SS**  trans64.598.9157.5-48.5-45.4000119.1
177R44.1Very low44.1Very low222 Ų222138.6 Ų138.684%0.83879%0.789SS**  69.5101.681.6-77.9-172171.2164.3-1.8116
178Q42.2Very low43.5Very low179 Ų179139.6 Ų139.684%0.83679%0.791SS**  trans63.1107.8139.5-60.5173.2-51.500119.6
179S41Very low43.3Very low120 Ų120141.3 Ų141.384%0.83979%0.793SS**  152.3148.8106.8-161.20000114.3
180A43.4Very low42.7Very low83 Ų83139.7 Ų139.769%0.68679%0.785SS**  trans57.895.6157.700000121.9
181T40.6Very low42.7Very low137 Ų137142.8 Ų142.884%0.8479%0.792SS**  53.9107.5116.9-47.20000122.1
182A47.1Very low42.1Very low88 Ų88140.7 Ų140.773%0.72780%0.795SS**  trans68.5125.4142.100000121.1
183P44.6Very low41.7Very low121 Ų121133.2 Ų133.279%0.78679%0.79SS**  trans-89.3142.6175.835.3-33.3000113.5
184N38.9Very low41.2Very low166 Ų166134 Ų13489%0.88880%0.796SS**  trans-75.6135.3165.7-73.4-51.4000110.9
185T41Very low40.7Very low120 Ų120133 Ų13374%0.73679%0.794SS**  trans-13894.1162.4-46.40000110.6R187T185-R187 PolarHBondContact O-N 3.22Å
186L36.7Very low40.1Very low177 Ų177137.8 Ų137.893%0.92781%0.811SS**  trans-63.3115.7165.8-82.3160.1000109.5
187R37.4Very low39.8Very low227 Ų227141.7 Ų141.786%0.85782%0.816SS**  trans-134.9139159-91.7-172.9164.9165.1-4.1110.6T185T185-R187 PolarHBondContact O-N 3.22Å
188S33.5Very low39.8Very low112 Ų112135.3 Ų135.378%0.78381%0.811SS**  trans-57.6135.8-17051.50000114.1
189I47.3Very low39.9Very low165 Ų165133 Ų13385%0.84681%0.805SS**  trans-126.6106.2161.3-57-179.5000107.7
190S35.4Very low40.1Very low93 Ų93132.2 Ų132.265%0.6580%0.796SS**  trans-69.1144.2179.7-56.90000111.5T192S190-T192 VanDerWaalsContact C-N 3.26Å; S190-T192 PolarHBondContact O-N 2.82Å
191P44.2Very low40Very low135 Ų135133.1 Ų133.188%0.87780%0.796SS**SBendtrans-83.260-173.835.5-37.4000113.1
192T36.2Very low40.4Very low137 Ų137131.4 Ų131.484%0.8479%0.79SS**  trans-13981.1174.4-42.10000110.2S190S190-T192 VanDerWaalsContact C-N 3.26Å; S190-T192 PolarHBondContact O-N 2.82Å
193G36.9Very low40.3Very low76 Ų76137.2 Ų137.278%0.78480%0.802SS**  trans-169.2112.5-177.500000113
194S32.4Very low40.4Very low128 Ų128134.8 Ų134.890%0.89580%0.799SS**  trans-66.1126.7177.945.90000113.1
195A34Very low40.9Very low85 Ų85132.9 Ų132.970%0.70279%0.793SS**  trans-152.892.2162.300000112.3R197A195-R197 PolarHBondContact O-N 2.89Å
196L38.3Very low41.3Very low191 Ų191131.1 Ų131.1100%178%0.779SS**  trans-70.476157.7-74.5171.7000108.8
197R40.7Very low42.1Very low214 Ų214127.5 Ų127.581%0.80877%0.767SS**  trans-93.5102.2176.6-155.7172.6-167.3-105.31.7109.4A195A195-R197 PolarHBondContact O-N 2.89Å
198A44.2Very low42.5Very low88 Ų88123.1 Ų123.173%0.72775%0.754SS**  trans-55.4141.1173.900000110.6P200A198-P200 VanDerWaalsContact O-CD 3.29Å; A198-P200 WeakPolarHBondContact O-CD 3.33Å
199N44.1Very low42.9Very low131 Ų131122.9 Ų122.970%0.70175%0.751SS**  trans-71115.2179.6177.224.8000110.5C201N199-C201 PolarHBondContact ND2-SG 3.14Å; N199-C201 PolarHBondContact O-N 3.01Å; N199-C201 VanDerWaalsContact O-N 3.08Å
200P45.6Very low42.6Very low102 Ų102126 Ų12666%0.66275%0.752SS**  trans-84.379.8176.635-30.9000109.8A198 S202A198-P200 VanDerWaalsContact O-CD 3.29Å; A198-P200 WeakPolarHBondContact O-CD 3.33Å; P200-S202 PolarHBondContact O-N 2.97Å
201C40Very low43.2Very low102 Ų102126.2 Ų126.269%0.68975%0.746SS**  trans-70.3107164.3-77.50000108.8N199N199-C201 PolarHBondContact ND2-SG 3.14Å; N199-C201 PolarHBondContact O-N 3.01Å; N199-C201 VanDerWaalsContact O-N 3.08Å
202S49.9Very low43.1Very low101 Ų101123.9 Ų123.971%0.70673%0.731SS**  trans-66.4134.6176.845.60000111.7P200 G204P200-S202 PolarHBondContact O-N 2.97Å; S202-G204 VanDerWaalsContact C-N 3.26Å; S202-G204 PolarHBondContact O-N 3.29Å
203E45.3Very low43.6Very low211 Ų211123.7 Ų123.799%0.98672%0.724SS**THydrogen-bonded Turntrans-76.157.9-166.7-165.5174.8177.500113.4
204G46.9Very low43.8Very low69 Ų69123.9 Ų123.971%0.71171%0.713SS**THydrogen-bonded Turntrans-146.2-23-169.100000119.3S202S202-G204 VanDerWaalsContact C-N 3.26Å; S202-G204 PolarHBondContact O-N 3.29Å
205T49.4Very low44.3Very low126 Ų126120.8 Ų120.877%0.77370%0.695SS**SBendtrans-137.94.3-162.827.70000117.2P207T205-P207 WeakPolarHBondContact O-CD 3.21Å
206D48.4Very low44.9Very low83 Ų83122.8 Ų122.844%0.44469%0.693SS.*  trans-92.8115.6176.3-172.60.2000112F208 C209D206-F208 PolarHBondContact O-N 3.02Å; D206-F208 WeakPolarHBondContact OD1-CB 3.4Å; D206-F208 VanDerWaalsContact OD1-CD2 3.3Å; D206-F208 WeakPolarHBondContact OD1-CD2 3.36Å; D206-F208 PolarHBondContact OD1-N 3.38Å; D206-C209 HydrophobicContact CB-CB 4.42Å; D206-C209 PolarHBondContact O-N 3.04Å; D206-C209 VanDerWaalsContact O-N 3.1Å
207P53.7Low45Very low101 Ų101121.1 Ų121.166%0.65668%0.678SS**G310 helixtrans-57.9-27173.5-23.334.7000113.6T205 C209 R210T205-P207 WeakPolarHBondContact O-CD 3.21Å; P207-C209 PolarHBondContact O-N 3.23Å; P207-R210 PolarHBondContact O-N 3.24Å
208F45.4Very low44.7Very low135 Ų135117.2 Ų117.259%0.59267%0.673SS**G310 helixtrans-72.6-15.7179.1-66.3-75.4000113.4D206 R210 L211D206-F208 PolarHBondContact O-N 3.02Å; D206-F208 WeakPolarHBondContact OD1-CB 3.4Å; D206-F208 VanDerWaalsContact OD1-CD2 3.3Å; D206-F208 WeakPolarHBondContact OD1-CD2 3.36Å; D206-F208 PolarHBondContact OD1-N 3.38Å; F208-R210 VanDerWaalsContact C-N 3.33Å; F208-L211 HydrophobicContact CD1-CD1 4.35Å
209C43.5Very low44.4Very low107 Ų107122.6 Ų122.672%0.72368%0.675SS**G310 helixtrans-83.8-2.4175.3-67.30000114.1D206 P207D206-C209 HydrophobicContact CB-CB 4.42Å; D206-C209 PolarHBondContact O-N 3.04Å; D206-C209 VanDerWaalsContact O-N 3.1Å; P207-C209 PolarHBondContact O-N 3.23Å
210R40.8Very low44.1Very low231 Ų231120.9 Ų120.987%0.87267%0.671SS**G310 helixtrans-110.50.8176.4-73.1-166174.3-164.2-0.5115.1P207 F208 P212P207-R210 PolarHBondContact O-N 3.24Å; F208-R210 VanDerWaalsContact C-N 3.33Å; R210-P212 VanDerWaalsContact O-CD 3.27Å; R210-P212 WeakPolarHBondContact O-CD 3.29Å
211L46.4Very low44Very low97 Ų97122.3 Ų122.351%0.50867%0.669SS.*SBendtrans-78.4113.7171.3-88155.5000109.5F208 L213F208-L211 HydrophobicContact CD1-CD1 4.35Å; L211-L213 PolarHBondContact O-N 3.16Å; L211-L213 VanDerWaalsContact O-N 3.1Å
212P41.9Very low44.2Very low87 Ų87121.3 Ų121.357%0.56567%0.668SS**  trans-61.711917325.5-32.7000108.6R210 S214 A215R210-P212 VanDerWaalsContact O-CD 3.27Å; R210-P212 WeakPolarHBondContact O-CD 3.29Å; P212-S214 PolarHBondContact O-N 2.87Å; P212-A215 WeakPolarHBondContact O-CB 3.33Å; P212-A215 PolarHBondContact O-N 2.9Å
213L47.3Very low43.8Very low133 Ų133121.6 Ų121.670%0.69667%0.665SS**G310 helixtrans-54-23.2-176.3-76.8161.4000113.2L211 A215 L216L211-L213 PolarHBondContact O-N 3.16Å; L211-L213 VanDerWaalsContact O-N 3.1Å; L213-A215 PolarHBondContact O-N 3.28Å; L213-L216 PolarHBondContact O-N 3.43Å
214S42.4Very low43.9Very low80 Ų80117.3 Ų117.356%0.55965%0.645SS**G310 helixtrans-54.4-28.5170.8-43.20000114.5P212 N218P212-S214 PolarHBondContact O-N 2.87Å; S214-N218 PolarHBondContact O-N 2.84Å; S214-N218 PolarHBondContact O-ND2 3.24Å
215A43.1Very low43.9Very low62 Ų62118.8 Ų118.851%0.51264%0.636SS.*G310 helixtrans-73-27.7-179.600000113.1P212 L213P212-A215 WeakPolarHBondContact O-CB 3.33Å; P212-A215 PolarHBondContact O-N 2.9Å; L213-A215 PolarHBondContact O-N 3.28Å
216L44.7Very low44.2Very low128 Ų128114.8 Ų114.867%0.6762%0.62SS**G310 helixtrans-88.8-4.6-179-66.1175.3000113.8L213L213-L216 PolarHBondContact O-N 3.43Å
217F41.9Very low44.2Very low156 Ų156114.4 Ų114.468%0.68462%0.618SS**THydrogen-bonded Turntrans-117.3-0.7178.6-77-78.6000114.2
218N34.6Very low43.8Very low131 Ų131115 Ų11570%0.70162%0.615SS**  trans-103.915.8174.6-78.5-62.2000113.4S214 P220S214-N218 PolarHBondContact O-N 2.84Å; S214-N218 PolarHBondContact O-ND2 3.24Å; N218-P220 WeakPolarHBondContact O-CD 3.47Å
219W37.9Very low44.1Very low201 Ų201112.9 Ų112.976%0.76161%0.609SS**  trans-73.1119.1169.8-167-97.6000110E221W219-E221 PolarHBondContact O-N 2.88Å
220P36.7Very low44.5Very low96 Ų96116 Ų11662%0.62361%0.606SS**THydrogen-bonded Turntrans-88.466.7-157.736.3-38.4000113.2N218N218-P220 WeakPolarHBondContact O-CD 3.47Å
221E43.2Very low44.7Very low132 Ų132110.4 Ų110.462%0.61759%0.592SS**THydrogen-bonded Turntrans-129.6-18.4176.8-148.2164.5-177.500113.1W219W219-E221 PolarHBondContact O-N 2.88Å
222A44.4Very low44.5Very low80 Ų80112.2 Ų112.266%0.66159%0.593SS**Hα-helixtrans-79-17.6177.500000114.5
223V42.5Very low44.4Very low108 Ų108112.3 Ų112.366%0.65559%0.591SS**Hα-helixtrans-68.5-44.8178.2-179.10000110.3L225 G226V223-L225 VanDerWaalsContact C-N 3.35Å; V223-L225 PolarHBondContact O-N 3Å; V223-G226 PolarHBondContact O-N 2.84Å
224H47.3Very low44.4Very low120 Ų120115 Ų11556%0.55659%0.592SS**Hα-helixtrans-75.3-20.5178.8-58.3-57.9000113.6G226 D227 L228H224-G226 VanDerWaalsContact C-N 3.26Å; H224-G226 PolarHBondContact O-N 3.48Å; H224-D227 PolarHBondContact O-N 3.39Å; H224-D227 VanDerWaalsContact O-N 3.17Å; H224-L228 HydrophobicContact CB-CD1 4.46Å; H224-L228 VanDerWaalsContact O-CD1 3.3Å; H224-L228 WeakPolarHBondContact O-CD1 3.44Å; H224-L228 PolarHBondContact O-N 2.95Å
225L45.5Very low44.5Very low100 Ų100113.3 Ų113.352%0.52458%0.583SS.*Hα-helixtrans-60.6-36.5172.4-117.276.7000112.2V223 D227 L229V223-L225 VanDerWaalsContact C-N 3.35Å; V223-L225 PolarHBondContact O-N 3Å; L225-D227 VanDerWaalsContact C-N 3.34Å; L225-L229 WeakPolarHBondContact O-CB 3.4Å; L225-L229 VanDerWaalsContact O-CG 3.28Å; L225-L229 WeakPolarHBondContact O-CG 3.42Å; L225-L229 PolarHBondContact O-N 3.27Å
226G57.8Low44.4Very low43 Ų43111.8 Ų111.844%0.44357%0.569SS.*Hα-helixtrans-62-42.5174.500000112V223 H224 R230V223-G226 PolarHBondContact O-N 2.84Å; H224-G226 VanDerWaalsContact C-N 3.26Å; H224-G226 PolarHBondContact O-N 3.48Å; G226-R230 WeakPolarHBondContact O-CB 3.49Å; G226-R230 PolarHBondContact O-N 2.83Å
227D47.6Very low44.3Very low74 Ų74109.1 Ų109.140%0.39656%0.558SS.*Hα-helixtrans-74.6-40.9178.9-70.5-38.4000112.7H224 L225 L229 R230 I231H224-D227 PolarHBondContact O-N 3.39Å; H224-D227 VanDerWaalsContact O-N 3.17Å; L225-D227 VanDerWaalsContact C-N 3.34Å; D227-L229 VanDerWaalsContact C-N 3.35Å; D227-L229 PolarHBondContact O-N 2.99Å; D227-R230 CarbonylContact O-C 3.57Å; D227-R230 PolarHBondContact O-N 3.17Å; D227-R230 VanDerWaalsContact O-N 3.15Å; D227-I231 WeakPolarHBondContact O-CB 3.16Å; D227-I231 WeakPolarHBondContact O-CD1 3.26Å; D227-I231 WeakPolarHBondContact O-CG1 3.3Å; D227-I231 PolarHBondContact O-N 2.99Å
228L44.7Very low44.3Very low115 Ų115108.7 Ų108.760%0.60256%0.562SS**Hα-helixtrans-59.1-45172.5-96.182.5000111.5H224 R230 I231 W232H224-L228 HydrophobicContact CB-CD1 4.46Å; H224-L228 VanDerWaalsContact O-CD1 3.3Å; H224-L228 WeakPolarHBondContact O-CD1 3.44Å; H224-L228 PolarHBondContact O-N 2.95Å; L228-R230 VanDerWaalsContact C-N 3.32Å; L228-R230 PolarHBondContact O-N 2.98Å; L228-I231 PolarHBondContact O-N 2.86Å; L228-W232 WeakPolarHBondContact O-CB 3.43Å; L228-W232 PolarHBondContact O-N 3.47Å
229L51.4Low44.5Very low90 Ų90108.7 Ų108.747%0.47156%0.562SS.*Hα-helixtrans-65.3-36.2176-73.3169000111.7L225 D227 V233L225-L229 WeakPolarHBondContact O-CB 3.4Å; L225-L229 VanDerWaalsContact O-CG 3.28Å; L225-L229 WeakPolarHBondContact O-CG 3.42Å; L225-L229 PolarHBondContact O-N 3.27Å; D227-L229 VanDerWaalsContact C-N 3.35Å; D227-L229 PolarHBondContact O-N 2.99Å; L229-V233 VanDerWaalsContact O-CB 3.28Å; L229-V233 WeakPolarHBondContact O-CB 2.96Å; L229-V233 WeakPolarHBondContact O-CG2 3.23Å; L229-V233 PolarHBondContact O-N 3.44Å
230R52Low44.5Very low171 Ų171109.2 Ų109.265%0.64557%0.565SS**Hα-helixtrans-70.3-36.2176.9-169.7178.9-171.3-172.23.9112.9G226 D227 L228 R234G226-R230 WeakPolarHBondContact O-CB 3.49Å; G226-R230 PolarHBondContact O-N 2.83Å; D227-R230 CarbonylContact O-C 3.57Å; D227-R230 PolarHBondContact O-N 3.17Å; D227-R230 VanDerWaalsContact O-N 3.15Å; L228-R230 VanDerWaalsContact C-N 3.32Å; L228-R230 PolarHBondContact O-N 2.98Å; R230-R234 PolarHBondContact O-N 3.37Å
231I44.7Very low44.4Very low115 Ų115107.9 Ų107.959%0.5957%0.569SS**Hα-helixtrans-68.4-46.9173-69.3161.8000109.6D227 L228 R234 A235D227-I231 WeakPolarHBondContact O-CB 3.16Å; D227-I231 WeakPolarHBondContact O-CD1 3.26Å; D227-I231 WeakPolarHBondContact O-CG1 3.3Å; D227-I231 PolarHBondContact O-N 2.99Å; L228-I231 PolarHBondContact O-N 2.86Å; I231-R234 WeakPolarHBondContact O-CB 3.22Å; I231-R234 PolarHBondContact O-N 3.4Å; I231-R234 VanDerWaalsContact O-N 3.16Å; I231-A235 PolarHBondContact O-N 2.79Å
232W42.3Very low44.1Very low135 Ų135108.9 Ų108.951%0.51158%0.578SS.*Hα-helixtrans-72.9-34.3-177-16029.6000112.8L228 R234 A235 S236L228-W232 WeakPolarHBondContact O-CB 3.43Å; L228-W232 PolarHBondContact O-N 3.47Å; W232-R234 VanDerWaalsContact C-N 3.29Å; W232-R234 PolarHBondContact O-N 2.84Å; W232-A235 PolarHBondContact O-N 2.96Å; W232-S236 WeakPolarHBondContact O-CB 3.46Å; W232-S236 PolarHBondContact O-N 3.14Å; W232-S236 PolarHBondContact O-OG 3.15Å
233V40.9Very low43.5Very low89 Ų89108.1 Ų108.154%0.53958%0.577SS.*Hα-helixtrans-62-36.4168.6166.70000111.5L229 T237L229-V233 VanDerWaalsContact O-CB 3.28Å; L229-V233 WeakPolarHBondContact O-CB 2.96Å; L229-V233 WeakPolarHBondContact O-CG2 3.23Å; L229-V233 PolarHBondContact O-N 3.44Å; V233-T237 WeakPolarHBondContact O-CG2 3.34Å; V233-T237 PolarHBondContact O-N 3.02Å; V233-T237 PolarHBondContact O-OG1 2.85Å
234R46.6Very low42.9Very low189 Ų189112.8 Ų112.871%0.71359%0.589SS**Hα-helixtrans-66-46.6172.4-104.4177.6155.8165.6-8.5112.2R230 I231 W232 T237R230-R234 PolarHBondContact O-N 3.37Å; I231-R234 WeakPolarHBondContact O-CB 3.22Å; I231-R234 PolarHBondContact O-N 3.4Å; I231-R234 VanDerWaalsContact O-N 3.16Å; W232-R234 VanDerWaalsContact C-N 3.29Å; W232-R234 PolarHBondContact O-N 2.84Å; R234-T237 PolarHBondContact O-N 3.34Å; R234-T237 PolarHBondContact O-OG1 2.88Å
235A44.5Very low42.4Very low45 Ų45113 Ų11337%0.37260%0.604SS.*Hα-helixtrans-64.4-47.7-18000000112.2I231 W232 T237 N238I231-A235 PolarHBondContact O-N 2.79Å; W232-A235 PolarHBondContact O-N 2.96Å; A235-T237 VanDerWaalsContact C-N 3.27Å; A235-T237 PolarHBondContact O-N 2.69Å; A235-N238 PolarHBondContact O-N 3.26Å; A235-N238 VanDerWaalsContact O-N 3.08Å
236S41.3Very low42.4Very low30 Ų30120 Ų12021%0.2162%0.623CS.*Hα-helixtrans-61.9-31.2178.8-66.70000112.9W232 N238 L239 Y240W232-S236 WeakPolarHBondContact O-CB 3.46Å; W232-S236 PolarHBondContact O-N 3.14Å; W232-S236 PolarHBondContact O-OG 3.15Å; S236-N238 PolarHBondContact O-N 3.48Å; S236-L239 PolarHBondContact O-N 3.41Å; S236-Y240 WeakPolarHBondContact O-CD2 3.15Å; S236-Y240 VanDerWaalsContact O-CE2 3.23Å; S236-Y240 WeakPolarHBondContact O-CE2 3.27Å
237T42.7Very low41.2Very low71 Ų71124.4 Ų124.444%0.43664%0.642SS.*THydrogen-bonded Turntrans-70.9-1017650.10000115.3V233 R234 A235V233-T237 WeakPolarHBondContact O-CG2 3.34Å; V233-T237 PolarHBondContact O-N 3.02Å; V233-T237 PolarHBondContact O-OG1 2.85Å; R234-T237 PolarHBondContact O-N 3.34Å; R234-T237 PolarHBondContact O-OG1 2.88Å; A235-T237 VanDerWaalsContact C-N 3.27Å; A235-T237 PolarHBondContact O-N 2.69Å
238N41.5Very low40.8Very low147 Ų147127.5 Ų127.579%0.78666%0.664SS**THydrogen-bonded Turntrans-107.73.7175.7-78.3-10.7000113.6A235 S236A235-N238 PolarHBondContact O-N 3.26Å; A235-N238 VanDerWaalsContact O-N 3.08Å; S236-N238 PolarHBondContact O-N 3.48Å
239L39.2Very low40.3Very low132 Ų132131.1 Ų131.169%0.69168%0.677SS**SBendtrans-103.7-0.8178.8-77.1161.7000113.8S236 G241S236-L239 PolarHBondContact O-N 3.41Å; L239-G241 VanDerWaalsContact C-N 3.34Å; L239-G241 PolarHBondContact O-N 3.43Å
240Y37.9Very low39.7Very low211 Ų211132 Ų13283%0.82769%0.691SS**THydrogen-bonded Turntrans-92.665.1169.9-61.8-74.8000110.7S236S236-Y240 WeakPolarHBondContact O-CD2 3.15Å; S236-Y240 VanDerWaalsContact O-CE2 3.23Å; S236-Y240 WeakPolarHBondContact O-CE2 3.27Å
241G34Very low39.3Very low68 Ų68130.4 Ų130.470%0.70170%0.7SS**THydrogen-bonded Turntrans-138-6.7179.600000115.4L239L239-G241 VanDerWaalsContact C-N 3.34Å; L239-G241 PolarHBondContact O-N 3.43Å
242L37.4Very low39Very low154 Ų154130.5 Ų130.581%0.80671%0.708SS**SBendtrans-121.5125.7176.1-81.184.7000110.4
243G31.1Very low38.8Very low63 Ų63132.2 Ų132.265%0.64973%0.727SS**SBendtrans114.2138.5172.100000114.6
244F30.7Very low38.7Very low207 Ų207132.1 Ų132.191%0.90874%0.736SS**  trans82.637.7172-41.9-60.8000119.4
245S37.2Very low38.3Very low124 Ų124130 Ų13087%0.86774%0.744SS**PPolyproline II helixtrans-72.5126.6148.2-800000109.7
246R44.2Very low38.2Very low246 Ų246131.3 Ų131.393%0.92876%0.762SS**PPolyproline II helixtrans-82.8126.9174.9-63.1-176.3-176.7-160.20.8109.7
247T33Very low37.6Very low136 Ų136138 Ų13883%0.83480%0.796SS**PPolyproline II helixtrans-73.1128.4-178.9-36.60000111.8
248V40Very low37.5Very low140 Ų140139 Ų13985%0.84881%0.811SS**  trans-132.4142.4153.7161.70000106.7
249E33Very low37.4Very low190 Ų190136.6 Ų136.689%0.88881%0.812SS**  trans-68.6131.3-165.2-63.2164.5102.900114.4
250S40.2Very low36.8Very low108 Ų108139.8 Ų139.876%0.75582%0.82SS**  trans-155.9102140.166.70000111.6
251V42.5Very low36.5Very low138 Ų138135.8 Ų135.884%0.83682%0.822SS**  trans45.7118153.3-1680000118.8
252P38.8Very low36.5Very low118 Ų118135.7 Ų135.777%0.76682%0.821SS**  trans-82.9154.6177.335.7-34.9000112.4
253N38.1Very low36.3Very low170 Ų170134.9 Ų134.991%0.90982%0.817SS**  trans-142.7143.3150.2-119.6-25.6000110.8
254A38.1Very low36.5Very low88 Ų88140 Ų14073%0.72783%0.828SS**  trans-72.2149.2-161.500000114.4
255T39.9Very low37Very low144 Ų144135.6 Ų135.688%0.88382%0.818SS**  172.9130.9116.4-71.30000111.1
256G41.7Very low36.8Very low73 Ų73134 Ų13475%0.75381%0.812SS**  trans86.374.5152.700000118
257D29.2Very low36.3Very low170 Ų170130.6 Ų130.691%0.90981%0.811SS**  trans-83.6126.1161.2-172.110.5000109.8
258A40.3Very low36.5Very low91 Ų91129.7 Ų129.775%0.75281%0.81SS**  trans-157.3107.6178.100000114.1
259A38Very low36.3Very low98 Ų98125.9 Ų125.981%0.8180%0.799SS**  trans63101.914800000120.4
260F28.5Very low36.4Very low198 Ų198125.6 Ų125.687%0.86880%0.798SS**  trans-70.6133.5144.5-84.2-104.9000110.7
261C30.4Very low35.9Very low127 Ų127126.3 Ų126.386%0.85880%0.8SS**  165.1144.7128.6-159.90000109.6
262G35.2Very low35.7Very low66 Ų66123.4 Ų123.468%0.6880%0.798SS**  trans175.561.9-175.300000115.5
263D31.6Very low35.6Very low137 Ų137123.2 Ų123.273%0.73380%0.799SS**  trans23.9106.6149.5-54.1-25.4000120.1V265D263-V265 HydrophobicContact CB-CG2 4.1Å; D263-V265 PolarHBondContact O-N 3.26Å
264I35.9Very low35.8Very low171 Ų171119.3 Ų119.388%0.87779%0.785SS**  trans-86.785.3158.8-57.2180000108.5
265V40.6Very low35.7Very low114 Ų114122.2 Ų122.269%0.69179%0.789SS**  trans-70.2144.6173.8176.10000110.9D263 I267D263-V265 HydrophobicContact CB-CG2 4.1Å; D263-V265 PolarHBondContact O-N 3.26Å; V265-I267 PolarHBondContact O-N 3.41Å
266A33.9Very low35.3Very low91 Ų91121 Ų12175%0.75279%0.785SS**  trans-65.2126.3-175.500000113.2S268A266-S268 VanDerWaalsContact C-N 3.29Å; A266-S268 PolarHBondContact O-N 3.15Å
267I32.9Very low35.4Very low175 Ų175123.7 Ų123.790%0.89779%0.786SS**  trans-83.273.8176.6-44.7177.4000109.8V265V265-I267 PolarHBondContact O-N 3.41Å
268S38.6Very low36Very low116 Ų116121.3 Ų121.381%0.81178%0.78SS**  trans-81.8129.6159.7-171.10000108.3A266A266-S268 VanDerWaalsContact C-N 3.29Å; A266-S268 PolarHBondContact O-N 3.15Å
269G35.7Very low35.9Very low61 Ų61125.9 Ų125.963%0.62978%0.779SS**  trans-86.3150.2-16300000115.1
270Q34.1Very low36.1Very low183 Ų183129.8 Ų129.886%0.85578%0.781SS**  trans-175.5131.4136.8-95.7-72.6-82.300107.6
271P30.7Very low36.6Very low124 Ų124126.2 Ų126.281%0.80577%0.767SS**  trans-89.9124.8175.833.1-29.4000110.9
272G37.1Very low37.3Very low76 Ų76129.7 Ų129.778%0.78477%0.767SS**  trans-155.9108.8-17900000114.4
273S37.8Very low38Very low114 Ų114134.4 Ų134.480%0.79777%0.769SS**  trans54.1110.6156.3-149.60000121.8
274S42.5Very low38.2Very low89 Ų89133 Ų13362%0.62277%0.766SS**  trans65.1139.3130.384.30000123.3
275D36Very low38.5Very low148 Ų148132.5 Ų132.579%0.79176%0.764SS**  trans90.2118.5151.1-48.4-44000120.3
276C31.2Very low38.6Very low120 Ų120133.2 Ų133.281%0.81177%0.774SS**  trans-68.6166.1174.1-54.20000110.4
277V43.8Very low38.8Very low129 Ų129132.4 Ų132.478%0.78277%0.774SS**  -165.3139.764.4166.10000109.2
278P40.3Very low39Very low120 Ų120131.1 Ų131.178%0.77978%0.775SS**PPolyproline II helixtrans-80.8136.4166.833.1-31.8000111
279Y38.4Very low39.2Very low186 Ų186128.9 Ų128.973%0.72976%0.764SS**PPolyproline II helixtrans-85.5145.2177.192.9-76.1000111.8E281Y279-E281 HydrophobicContact CE2-CB 3.92Å
280E42.6Very low39.6Very low180 Ų180134 Ų13484%0.84178%0.776SS**PPolyproline II helixtrans-95.4131.9172.7-77.2-83.3144.200110.1
281E38.8Very low39.9Very low124 Ų124128.7 Ų128.758%0.57977%0.771SS**  trans-111.6109.7164.7-168.6178.816900110.2Y279 K283Y279-E281 HydrophobicContact CE2-CB 3.92Å; E281-K283 IonicContact OE1-NZ 3.85Å; E281-K283 PolarHBondContact OE1-NZ 2.64Å
282K45.2Very low40.3Very low200 Ų200129.2 Ų129.287%0.8778%0.776SS**  trans-134.7117.7165.5-170.9173.4-178.8177.80110.8
283K49.3Very low40.4Very low164 Ų164130.7 Ų130.771%0.71378%0.775SS**  trans-87.4130.6-176.2-101.5177.8-179.8118.80113.7E281E281-K283 IonicContact OE1-NZ 3.85Å; E281-K283 PolarHBondContact OE1-NZ 2.64Å
284T37.4Very low40.9Very low109 Ų109131 Ų13167%0.66977%0.774SS**  trans79.395.4130.9-49.10000120.9
285L41.2Very low40.5Very low159 Ų159131.8 Ų131.883%0.83278%0.78SS**  59.9110.4128.4-56.6177.1000122.4
286S42.5Very low41Very low129 Ų129130.6 Ų130.690%0.90278%0.783SS**  174.2147.9113.941.40000108.1
287G39.4Very low41.7Very low74 Ų74134.1 Ų134.176%0.76379%0.787SS**  cis-161.6161.4-9.900000109
288T37Very low41.6Very low149 Ų149132.8 Ų132.891%0.91479%0.79SS**  trans-59.7160.2176.612.20000113.2
289A43.1Very low41.8Very low69 Ų69135 Ų13557%0.5780%0.795SS**  cis-158.7174.5-2.100000110.8
290D42.8Very low42.4Very low167 Ų167131.1 Ų131.189%0.89379%0.792SS**  trans64.1130.5149.2-55.8-28.2000122.3
291G41.9Very low42.4Very low73 Ų73134.6 Ų134.675%0.75380%0.797SS**  trans135.274.9131.500000119.8
292C38.3Very low42.7Very low134 Ų134133.2 Ų133.291%0.90581%0.807SS**  trans71.6141.4146.7-140.40000120.7
293S38.9Very low42.8Very low107 Ų107129.4 Ų129.475%0.74880%0.803SS**  trans-123.7-178.6176.6-70.80000108.6
294P47.8Very low42.9Very low120 Ų120128.2 Ų128.278%0.77981%0.809SS**  cis-131-160.3-48.137.4-20.3000111.2
295S35.1Very low43.7Very low107 Ų107128.6 Ų128.675%0.74881%0.813SS**  trans77.9112.6153.8-173.30000120
296S46.6Very low43.7Very low122 Ų122132.7 Ų132.785%0.85382%0.818SS**  -163.2151.4128.1-81.30000111.6
297E45.9Very low43.9Very low194 Ų194131.6 Ų131.691%0.90782%0.817SS**  trans-82153.8-172.2-57.4164.385.500114
298A41.6Very low44Very low102 Ų102133.5 Ų133.584%0.84382%0.818SS**  trans-168.9116.9142.300000112.8
299L43.7Very low44.4Very low167 Ų167131.9 Ų131.987%0.87481%0.813SS**  trans-96.8-173.3165.2-83.2172.7000109.6
300P51.8Low44.4Very low104 Ų104140 Ų14068%0.67583%0.829SS**  cis-132.7179.2-30.128-7.7000113.3
301R41.5Very low44.6Very low253 Ų253136 Ų13696%0.95582%0.818SS**  -175150.4125.8-102.3167.6-174.9-172.82.2114.3
302A45.4Very low44.8Very low94 Ų94140.6 Ų140.678%0.77783%0.826SS**  trans-98.1-167.3-176.900000110.7
303P48.5Very low44.9Very low121 Ų121145.8 Ų145.879%0.78683%0.827SS**  cis-139.7-176.311.341.5-20.3000117.7
304V49.6Very low45.5Very low138 Ų138145.3 Ų145.384%0.83683%0.829SS**  trans-105.4144-177.4-167.90000111.6
305P54.1Low45.4Very low118 Ų118147.2 Ų147.277%0.76683%0.833SS**  trans-98.8135.1163.433.8-27.2000113
306R42.2Very low46.3Very low245 Ų245147.3 Ų147.393%0.92583%0.833SS**  trans-75146.1168.4-85.4174.6163.7156.1-6.8111.1
307A46.2Very low46.5Very low106 Ų106144.8 Ų144.888%0.87683%0.826SS**  trans-124.4121.3154.500000109.4
308S42.4Very low46.4Very low113 Ų113144 Ų14479%0.7983%0.829SS**  trans-131.4110175.764.10000111.4
309S45.8Very low46.9Very low116 Ų116145.7 Ų145.781%0.81182%0.819SS**  trans-167.4156.9152.667.20000106.1
310R43.1Very low47.5Very low239 Ų239141.5 Ų141.590%0.90281%0.808SS**  cis-152149.314-153.9169.2-174.7164.4-0.9107.9
311A46.2Very low47.6Very low82 Ų82142.6 Ų142.668%0.67882%0.816SS**  trans-70.8145.3178.200000111.8
312N45.1Very low48.1Very low170 Ų170139.6 Ų139.691%0.90980%0.804SS**  trans-139.397.8154.1-88.2-30.4000107.7
313R42.3Very low48.2Very low244 Ų244141.2 Ų141.292%0.92181%0.807SS**  trans-82.7119.9159.3-80-175.9171.196.3-2.8106.6
314A49.9Very low48.2Very low97 Ų97146.9 Ų146.980%0.80281%0.813SS**  trans-112.8104.6161.400000106.7
315D46.1Very low47.9Very low160 Ų160150.1 Ų150.186%0.85682%0.815SS**  trans-87.6121.9168.8176.919.7000107.6
316S54.3Low47.2Very low108 Ų108154.9 Ų154.976%0.75582%0.818SS**  trans-16194.3173.165.30000112.4
317G50.7Low47.1Very low69 Ų69148.4 Ų148.471%0.71181%0.808SS**  trans73.1112.413900000118.7E319G317-E319 PolarHBondContact O-N 3.07Å
318D44.6Very low46.7Very low179 Ų179149.2 Ų149.296%0.95780%0.804SS**  trans-55.2115.8152.7-84.1-55.8000110.9
319E51.1Low46.4Very low136 Ų136149.4 Ų149.464%0.63679%0.792SS**  trans-120111.7153.9-171.4161.9159.600109.9G317 R322G317-E319 PolarHBondContact O-N 3.07Å; E319-R322 IonicContact OE1-CZ 3.58Å; E319-R322 VanDerWaalsContact OE1-CZ 3.29Å; E319-R322 IonicContact OE1-NE 3.54Å; E319-R322 PolarHBondContact OE1-NE 2.89Å; E319-R322 IonicContact OE1-NH2 2.73Å; E319-R322 PolarHBondContact OE1-NH2 3.45Å
320A56.8Low45.7Very low79 Ų79148.5 Ų148.565%0.65378%0.782SS**  trans-60.1140.6-179.500000111.5R322A320-R322 PolarHBondContact O-N 2.93Å
321P54Low45.1Very low128 Ų128143.3 Ų143.383%0.83176%0.763SS**  trans-65.2108.8-175.125.6-34.2000111.3
322R52.9Low44.5Very low190 Ų190140.8 Ų140.872%0.71774%0.739SS**  trans-55.1137.6178.1-59.6-173.7-171.8-148.93.1110.9E319 A320 R324E319-R322 IonicContact OE1-CZ 3.58Å; E319-R322 VanDerWaalsContact OE1-CZ 3.29Å; E319-R322 IonicContact OE1-NE 3.54Å; E319-R322 PolarHBondContact OE1-NE 2.89Å; E319-R322 IonicContact OE1-NH2 2.73Å; E319-R322 PolarHBondContact OE1-NH2 3.45Å; A320-R322 PolarHBondContact O-N 2.93Å; R322-R324 PolarHBondContact O-N 2.82Å
323P46.9Very low44.1Very low127 Ų127134.7 Ų134.783%0.82570%0.704SS**  trans-65109.6-177.225.6-33.9000110.8K325P323-K325 PolarHBondContact O-N 2.97Å
324R47.4Very low44Very low241 Ų241123.3 Ų123.391%0.90966%0.661SS**PPolyproline II helixtrans-62.9117.3172.9-66.6-174.8178.9-165.9-0.3109R322 R326R322-R324 PolarHBondContact O-N 2.82Å; R324-R326 PolarHBondContact O-N 3Å
325K43.9Very low43.4Very low205 Ų205120.9 Ų120.989%0.89163%0.632SS**PPolyproline II helixtrans-53.2124.2170-73.2-177.4176.5179.70108.5P323P323-K325 PolarHBondContact O-N 2.97Å
326R39.2Very low43Very low218 Ų218115.5 Ų115.582%0.82361%0.605SS**PPolyproline II helixtrans-66.3141.7175.7-59.6-174.4-167.2-176.75.3109.1R324R324-R326 PolarHBondContact O-N 3Å
327P39.5Very low42.1Very low110 Ų110111.5 Ų111.571%0.71458%0.577SS**PPolyproline II helixtrans-63.2156.1169.429-34.6000110.4E329P327-E329 PolarHBondContact O-N 3.23Å
328P39.3Very low41.4Very low123 Ų123114.9 Ų114.980%0.79957%0.568SS**PPolyproline II helixtrans-62131177.126-33.9000111.2T330P328-T330 PolarHBondContact O-N 2.86Å
329E34.4Very low40.9Very low116 Ų116111.7 Ų111.754%0.54255%0.546SS..  trans-74.9104.3172.9-69.5176.4-179.500109.8P327 R331P327-E329 PolarHBondContact O-N 3.23Å; E329-R331 PolarHBondContact O-N 3.46Å; E329-R331 IonicContact OE2-CZ 3.32Å; E329-R331 IonicContact OE2-NE 3.08Å; E329-R331 PolarHBondContact OE2-NE 3.22Å; E329-R331 IonicContact OE2-NH2 3.29Å; E329-R331 PolarHBondContact OE2-NH2 2.91Å
330T32.4Very low40.3Very low98 Ų98115 Ų11560%0.60155%0.552SS**  trans-67.5124.7166.2-550000109.5P328 I377P328-T330 PolarHBondContact O-N 2.86Å; T330-I377 HydrophobicContact CG2-CG2 4.01Å
331R31.1Very low39.2Very low129 Ų129118 Ų11849%0.48756%0.558SS.*  trans-109.1116-178.6-68.3-177.4178.4-177.4-0.9110.3E329 Y333 D378E329-R331 PolarHBondContact O-N 3.46Å; E329-R331 IonicContact OE2-CZ 3.32Å; E329-R331 IonicContact OE2-NE 3.08Å; E329-R331 PolarHBondContact OE2-NE 3.22Å; E329-R331 IonicContact OE2-NH2 3.29Å; E329-R331 PolarHBondContact OE2-NH2 2.91Å; R331-Y333 HydrophobicContact CB-CD2 4.29Å; R331-Y333 HydrophobicContact CB-CE2 3.57Å; R331-D378 PolarHBondContact O-N 3Å
332V32Very low38.4Very low29 Ų29117.8 Ų117.818%0.17654%0.544CS..EExtended strand (participates in β ladder)trans-97.9113.2173.4-174.50000108.8L91 I334 L375 I377L91-V332 PolarHBondContact N-O 3.08Å; L91-V332 VanDerWaalsContact N-O 3.11Å; V332-I334 HydrophobicContact CG1-CG1 4.3Å; V332-L375 HydrophobicContact CG1-CD2 4.05Å; V332-L375 HydrophobicContact CG1-CG 4.18Å; V332-I377 HydrophobicContact CG2-CG1 4.44Å
333Y36.5Very low37.5Very low43 Ų43116.5 Ų116.517%0.16955%0.551CS.*EExtended strand (participates in β ladder)trans-95.9127.9174.6-59.8-101.2000108.8L91 I93 R331 L375 R376 D378L91-Y333 HydrophobicContact CB-CD1 4.2Å; L91-Y333 HydrophobicContact CD2-CD1 3.83Å; L91-Y333 HydrophobicContact CD2-CE1 3.62Å; L91-Y333 HydrophobicContact CG-CD1 4.34Å; L91-Y333 CarbonylContact O-C 3.59Å; L91-Y333 VanDerWaalsContact O-CA 3.32Å; L91-Y333 WeakPolarHBondContact O-CA 3.19Å; I93-Y333 HydrophobicContact CD1-CD1 3.72Å; I93-Y333 HydrophobicContact CD1-CE1 4.23Å; I93-Y333 HydrophobicContact CG1-CD1 4.49Å; R331-Y333 HydrophobicContact CB-CD2 4.29Å; R331-Y333 HydrophobicContact CB-CE2 3.57Å; Y333-L375 WeakPolarHBondContact O-CA 3.46Å; Y333-R376 HydrophobicContact CD2-CG 4.3Å; Y333-R376 PolarHBondContact N-O 3.32Å; Y333-R376 PolarHBondContact O-N 2.92Å; Y333-D378 HydrophobicContact CE2-CB 4.24Å; Y333-D378 VanDerWaalsContact CE2-OD2 3.23Å; Y333-D378 WeakPolarHBondContact CE2-OD2 3.22Å
334I41.8Very low36.9Very low5 Ų5122.1 Ų122.13%0.02656%0.556CS.*EExtended strand (participates in β ladder)trans-114.9114.3176.7-60.6-171.2000108.2L61 V90 L91 I92 I93 V332 V336 L373 L375L61-I334 HydrophobicContact CD2-CD1 4.08Å; V90-I334 HydrophobicContact CG1-CB 4.46Å; V90-I334 HydrophobicContact CG1-CD1 3.47Å; V90-I334 VanDerWaalsContact CG1-CD1 3.47Å; V90-I334 HydrophobicContact CG1-CG1 3.83Å; L91-I334 PolarHBondContact O-N 3.44Å; I92-I334 CarbonylContact C-O 3.57Å; I92-I334 VanDerWaalsContact CA-O 3.24Å; I92-I334 WeakPolarHBondContact CA-O 3.28Å; I92-I334 HydrophobicContact CG1-CB 4.37Å; I92-I334 WeakPolarHBondContact CG2-O 3.46Å; I93-I334 PolarHBondContact N-O 2.89Å; V332-I334 HydrophobicContact CG1-CG1 4.3Å; I334-V336 HydrophobicContact CG2-CG2 4.22Å; I334-L373 HydrophobicContact CG2-CD1 3.28Å; I334-L373 HydrophobicContact CG2-CG 4.03Å; I334-L375 HydrophobicContact CD1-CD1 4.2Å; I334-L375 HydrophobicContact CG1-CD1 3.99Å; I334-L375 HydrophobicContact CG1-CG 4.16Å; I334-L375 HydrophobicContact CG2-CD1 4.49Å
335F37.1Very low36.2Very low46 Ų46115.9 Ų115.920%0.20254%0.54CS..EExtended strand (participates in β ladder)trans-95.3131.1171.3-58.1-97.1000110.2I93 S95 L373 V374 R376I93-F335 HydrophobicContact CB-CD1 3.66Å; I93-F335 HydrophobicContact CB-CE1 3.51Å; I93-F335 HydrophobicContact CB-CZ 4.25Å; I93-F335 HydrophobicContact CD1-CE1 4.02Å; I93-F335 HydrophobicContact CD1-CZ 4.03Å; I93-F335 HydrophobicContact CG1-CE1 4.3Å; I93-F335 HydrophobicContact CG2-CD1 3.88Å; I93-F335 HydrophobicContact CG2-CE1 3.56Å; I93-F335 VanDerWaalsContact O-CA 3.29Å; I93-F335 WeakPolarHBondContact O-CA 3.43Å; I93-F335 WeakPolarHBondContact O-CD1 3.24Å; S95-F335 WeakPolarHBondContact OG-CD1 3.42Å; F335-L373 CarbonylContact O-C 3.59Å; F335-L373 WeakPolarHBondContact O-CA 3.29Å; F335-V374 HydrophobicContact CB-CB 4.23Å; F335-V374 PolarHBondContact N-O 2.99Å; F335-V374 PolarHBondContact O-N 2.81Å; F335-R376 HydrophobicContact CE2-CB 4.29Å
336V38.1Very low35.6Very low47 Ų47111.6 Ų111.629%0.28553%0.533SS..EExtended strand (participates in β ladder)trans-118.7110.1175.3-1780000108.4I92 I334 F371 R372 L373I92-V336 HydrophobicContact CG2-CG2 4.32Å; I334-V336 HydrophobicContact CG2-CG2 4.22Å; V336-F371 HydrophobicContact CG1-CB 4.33Å; V336-F371 HydrophobicContact CG1-CD1 3.78Å; V336-F371 HydrophobicContact CG1-CG 4.4Å; V336-R372 WeakPolarHBondContact CA-O 3.41Å; V336-L373 HydrophobicContact CG2-CD1 3.83Å
337S35.3Very low35.1Very low23 Ų23109.6 Ų109.616%0.16153%0.53CS..EExtended strand (participates in β ladder)trans-109.1142.1174-67.10000111.6D96 R372D96-S337 VanDerWaalsContact OD1-CB 3.26Å; D96-S337 WeakPolarHBondContact OD1-CB 3.32Å; D96-S337 PolarHBondContact OD1-OG 3.28Å; D96-S337 WeakPolarHBondContact OD2-CA 3.45Å; D96-S337 WeakPolarHBondContact OD2-CB 3.45Å; S337-R372 PolarHBondContact N-O 3.2Å; S337-R372 VanDerWaalsContact N-O 3.07Å; S337-R372 PolarHBondContact O-N 2.9Å
338R35Very low34.7Very low141 Ų141115.5 Ų115.553%0.53254%0.538SS..EExtended strand (participates in β ladder)trans-108.1106.8-172.5-172.4-178.3-175172.34.4110.7D96 R340 F371D96-R338 PolarHBondContact OD2-N 3.34Å; R338-R340 PolarHBondContact O-N 3.23Å; R338-F371 HydrophobicContact CB-CD1 4.28Å; R338-F371 HydrophobicContact CB-CE1 4.25Å; R338-F371 HydrophobicContact CG-CD1 4.34Å; R338-F371 HydrophobicContact CG-CE1 4Å
339F35.1Very low34.1Very low111 Ų111115.6 Ų115.649%0.48754%0.537SS..  trans-88.5110.4-176.6-81.6-89.9000112.8N341 G370 R372F339-N341 VanDerWaalsContact C-N 3.34Å; F339-N341 PolarHBondContact O-N 3.1Å; F339-N341 VanDerWaalsContact O-N 3.16Å; F339-G370 PolarHBondContact N-O 3.18Å; F339-R372 HydrophobicContact CD2-CB 4.17Å; F339-R372 HydrophobicContact CE2-CB 4Å
340R38Very low34Very low205 Ų205117 Ų11777%0.77455%0.553SS**SBendtrans-79.773.1164.5-73.5-175.4173.7-175.2-0.5111R338R338-R340 PolarHBondContact O-N 3.23Å
341N32.6Very low33.7Very low144 Ų144123.9 Ų123.977%0.7757%0.568SS**  trans172.3108.2153.1-100-48000111.8F339F339-N341 VanDerWaalsContact C-N 3.34Å; F339-N341 PolarHBondContact O-N 3.1Å; F339-N341 VanDerWaalsContact O-N 3.16Å
342F37.5Very low33.4Very low122 Ų122129.2 Ų129.254%0.53559%0.588SS.*  trans-128.17.6169.7-107.4-85.9000114.2R344 I345F342-R344 PolarHBondContact O-N 3.08Å; F342-I345 HydrophobicContact CD1-CD1 4.05Å; F342-I345 HydrophobicContact CE1-CD1 3.74Å
343N33.9Very low33.2Very low163 Ų163133 Ų13387%0.87262%0.622SS**THydrogen-bonded Turntrans-78.728.2-176.5-71.2-8.4000114.7
344R35.1Very low32.9Very low246 Ų246136 Ų13693%0.92866%0.657SS**THydrogen-bonded Turntrans-136.414-177.2-90-166.3175.9-169.4-0.2116.1F342F342-R344 PolarHBondContact O-N 3.08Å
345I32.5Very low32.3Very low109 Ų109140.8 Ų140.856%0.55969%0.69SS**  trans-112.1116.6175.2-53.3-177.6000109.8F342 F347F342-I345 HydrophobicContact CD1-CD1 4.05Å; F342-I345 HydrophobicContact CE1-CD1 3.74Å; I345-F347 PolarHBondContact O-N 3.16Å
346P30.6Very low31.9Very low115 Ų115149.8 Ų149.875%0.74772%0.724SS**  trans-75.9113.8178.729.5-32.5000111R348P346-R348 PolarHBondContact O-N 3.42Å
347F29.6Very low31.4Very low177 Ų177151 Ų15178%0.77675%0.746SS**  trans-71.492.4171.8-79.6-90.6000110.8I345I345-F347 PolarHBondContact O-N 3.16Å
348R30.4Very low31.1Very low233 Ų233159.3 Ų159.388%0.87978%0.783SS**  trans-92.5123.4159.8-83.9-172.2172.3-179.7-1.6110.2P346P346-R348 PolarHBondContact O-N 3.42Å
349T26.9Very low30.7Very low125 Ų125161.1 Ų161.177%0.76780%0.797SS**  trans72.878.8155.6-38.80000118.2
350V32.5Very low30.5Very low147 Ų147161.6 Ų161.689%0.89181%0.809SS**  trans-131.482.3141.8-172.80000108.5
351R26.8Very low30Very low241 Ų241162.9 Ų162.991%0.90981%0.814SS**  trans-114.891.5169.7-87.8-170.2177179.1-0.6109.3
352R25.3Very low30.1Very low242 Ų242162.4 Ų162.491%0.91381%0.811SS**  trans-175.2155.1152.7-110.3172.4178.3176.4-0.9109.6
353A27.2Very low29.6Very low107 Ų107164.9 Ų164.988%0.88483%0.83SS**  trans70.566.7177.300000117.3
354A30.4Very low29.6Very low108 Ų108162.5 Ų162.589%0.89382%0.821SS**  trans-155.192.2143.100000107.7
355S27.9Very low29.5Very low104 Ų104157.1 Ų157.173%0.72782%0.816SS**  trans-113.1150.1171-1740000107.8
356Y28.8Very low29.6Very low235 Ų235156.8 Ų156.892%0.92282%0.821SS**SBendtrans69.1137.8-167.9-69.3-93.4000115.7
357G27.5Very low29.7Very low72 Ų72159.4 Ų159.474%0.74283%0.827SS**  trans117.463.2156.600000117.2
358E30Very low30Very low198 Ų198160.4 Ų160.493%0.92583%0.826SS**  trans72.5158.7141.6-145.2160.7-152.700120
359Q26.1Very low30.2Very low179 Ų179153 Ų15384%0.83680%0.804SS**  trans-12798.9-155.5178.9-172.693.700109.7
360V31.7Very low30.7Very low122 Ų122148.3 Ų148.374%0.73978%0.78SS**  trans-122.8110.8171-176.10000109.6N362V360-N362 PolarHBondContact O-N 2.87Å
361R27.1Very low30.8Very low232 Ų232146 Ų14688%0.87576%0.758SS**  trans-63.3123.1170.9-68.5175.6173.9176.7-3.1109.3
362N33.6Very low31.2Very low134 Ų134138.6 Ų138.672%0.71773%0.73SS**  trans-149.8100.8161.6-86.8-51.6000109V360 V364V360-N362 PolarHBondContact O-N 2.87Å; N362-V364 PolarHBondContact O-N 2.85Å
363D28Very low31.8Very low173 Ų173130.3 Ų130.393%0.92570%0.704SS**  trans-72.679.4171.6-77.3-51.6000110
364V34.2Very low32.4Very low114 Ų114128.3 Ų128.369%0.69168%0.68SS**  trans-127.6100.4172.8-175.50000108.9N362 P366N362-V364 PolarHBondContact O-N 2.85Å; V364-P366 VanDerWaalsContact O-CD 3.22Å; V364-P366 WeakPolarHBondContact O-CD 3.3Å
365T32.6Very low32.6Very low133 Ų133126.8 Ų126.882%0.81666%0.657SS**  trans-60.5113.3177.2-50.40000110.4L367T365-L367 PolarHBondContact O-N 3.35Å; T365-L367 VanDerWaalsContact O-N 3.12Å
366P34.1Very low33Very low101 Ų101127.8 Ų127.866%0.65665%0.645SS**  trans-76.4109.3-17829.6-32.3000109.9V364 R368V364-P366 VanDerWaalsContact O-CD 3.22Å; V364-P366 WeakPolarHBondContact O-CD 3.3Å; P366-R368 VanDerWaalsContact C-N 3.27Å; P366-R368 PolarHBondContact O-N 3.37Å
367L33Very low33.5Very low170 Ų170121.9 Ų121.989%0.8963%0.628SS**  trans-62.688.3166.3-81.4167.6000109.4T365 L369T365-L367 PolarHBondContact O-N 3.35Å; T365-L367 VanDerWaalsContact O-N 3.12Å; L367-L369 PolarHBondContact O-N 3.1Å
368R35.5Very low34.1Very low199 Ų199124.1 Ų124.175%0.75162%0.623SS**  trans-6594.3179.4-79.6-170.6171.7-174.7-2111P366 G370P366-R368 VanDerWaalsContact C-N 3.27Å; P366-R368 PolarHBondContact O-N 3.37Å; R368-G370 PolarHBondContact O-N 3.19Å
369L35.9Very low34.3Very low78 Ų78120.5 Ų120.541%0.40861%0.608SS.*  trans-88.598.7-179.4-164.981.6000110.2L367 F371L367-L369 PolarHBondContact O-N 3.1Å; L369-F371 HydrophobicContact CD2-CE1 4.37Å; L369-F371 HydrophobicContact CD2-CE2 3.74Å; L369-F371 HydrophobicContact CD2-CZ 3.5Å; L369-F371 VanDerWaalsContact CD2-CZ 3.5Å; L369-F371 HydrophobicContact CG-CE2 4.34Å; L369-F371 HydrophobicContact CG-CZ 4.34Å
370G36.1Very low34.8Very low26 Ų26117.4 Ų117.427%0.26860%0.596SS.*  trans-76125179.100000113F339 R368F339-G370 PolarHBondContact N-O 3.18Å; R368-G370 PolarHBondContact O-N 3.19Å
371F34.5Very low34.9Very low99 Ų99117.1 Ų117.143%0.43459%0.588SS.*EExtended strand (participates in β ladder)trans-104.1145.8167.7-64.2-82.8000110.4V336 R338 L369V336-F371 HydrophobicContact CG1-CB 4.33Å; V336-F371 HydrophobicContact CG1-CD1 3.78Å; V336-F371 HydrophobicContact CG1-CG 4.4Å; R338-F371 HydrophobicContact CB-CD1 4.28Å; R338-F371 HydrophobicContact CB-CE1 4.25Å; R338-F371 HydrophobicContact CG-CD1 4.34Å; R338-F371 HydrophobicContact CG-CE1 4Å; L369-F371 HydrophobicContact CD2-CE1 4.37Å; L369-F371 HydrophobicContact CD2-CE2 3.74Å; L369-F371 HydrophobicContact CD2-CZ 3.5Å; L369-F371 VanDerWaalsContact CD2-CZ 3.5Å; L369-F371 HydrophobicContact CG-CE2 4.34Å; L369-F371 HydrophobicContact CG-CZ 4.34Å
372R36.2Very low35.4Very low84 Ų84110.4 Ų110.432%0.31757%0.571SS.*EExtended strand (participates in β ladder)trans-110.2118.3170.8-172.1179.3-173.8173.93109.5V336 S337 F339 V374V336-R372 WeakPolarHBondContact CA-O 3.41Å; S337-R372 PolarHBondContact N-O 3.2Å; S337-R372 VanDerWaalsContact N-O 3.07Å; S337-R372 PolarHBondContact O-N 2.9Å; F339-R372 HydrophobicContact CD2-CB 4.17Å; F339-R372 HydrophobicContact CE2-CB 4Å; R372-V374 HydrophobicContact CG-CG2 4.38Å
373L36.8Very low35.5Very low68 Ų68108.9 Ų108.936%0.35656%0.562SS.*EExtended strand (participates in β ladder)trans-88.9130.9171.7-15871.9000109.5I334 F335 V336 L375I334-L373 HydrophobicContact CG2-CD1 3.28Å; I334-L373 HydrophobicContact CG2-CG 4.03Å; F335-L373 CarbonylContact O-C 3.59Å; F335-L373 WeakPolarHBondContact O-CA 3.29Å; V336-L373 HydrophobicContact CG2-CD1 3.83Å; L373-L375 HydrophobicContact CD2-CD1 3.81Å; L373-L375 HydrophobicContact CG-CD1 4.05Å
374V40.7Very low36Very low66 Ų66104.6 Ų104.640%0.454%0.538SS..EExtended strand (participates in β ladder)trans-126.8112.2168.8-176.80000108.1F335 R372F335-V374 HydrophobicContact CB-CB 4.23Å; F335-V374 PolarHBondContact N-O 2.99Å; F335-V374 PolarHBondContact O-N 2.81Å; R372-V374 HydrophobicContact CG-CG2 4.38Å
375L33.3Very low36.1Very low76 Ų76103.9 Ų103.940%0.39853%0.527SS..EExtended strand (participates in β ladder)trans-82.7135168.3-97.573.2000110V332 Y333 I334 L373V332-L375 HydrophobicContact CG1-CD2 4.05Å; V332-L375 HydrophobicContact CG1-CG 4.18Å; Y333-L375 WeakPolarHBondContact O-CA 3.46Å; I334-L375 HydrophobicContact CD1-CD1 4.2Å; I334-L375 HydrophobicContact CG1-CD1 3.99Å; I334-L375 HydrophobicContact CG1-CG 4.16Å; I334-L375 HydrophobicContact CG2-CD1 4.49Å; L373-L375 HydrophobicContact CD2-CD1 3.81Å; L373-L375 HydrophobicContact CG-CD1 4.05Å
376R37Very low36.4Very low124 Ų124101.7 Ų101.747%0.46850%0.504SS..EExtended strand (participates in β ladder)trans-121.6131.9163.3163.9179.8-179.5166.4-1107.6Y333 F335 D378Y333-R376 HydrophobicContact CD2-CG 4.3Å; Y333-R376 PolarHBondContact N-O 3.32Å; Y333-R376 PolarHBondContact O-N 2.92Å; F335-R376 HydrophobicContact CE2-CB 4.29Å; R376-D378 IonicContact CZ-OD1 3.04Å; R376-D378 VanDerWaalsContact CZ-OD1 3.26Å; R376-D378 IonicContact CZ-OD2 3.26Å; R376-D378 IonicContact NE-OD1 2.69Å; R376-D378 PolarHBondContact NE-OD1 3.12Å; R376-D378 IonicContact NE-OD2 2.77Å; R376-D378 PolarHBondContact NE-OD2 3.38Å; R376-D378 IonicContact NH2-OD1 3.61Å; R376-D378 PolarHBondContact NH2-OD1 2.91Å; R376-D378 IonicContact NH2-OD2 2.87Å; R376-D378 PolarHBondContact NH2-OD2 3.27Å; R376-D378 VanDerWaalsContact NH2-OD2 3.08Å
377I39.9Very low36.6Very low112 Ų112101.8 Ų101.857%0.57449%0.492SS*.EExtended strand (participates in β ladder)trans-118.8118.3176.8-54.1174.7000105.2T330 V332T330-I377 HydrophobicContact CG2-CG2 4.01Å; V332-I377 HydrophobicContact CG2-CG1 4.44Å
378D40.1Very low36.9Very low119 Ų11995.5 Ų95.564%0.63646%0.456SS*.  trans-99.60173.3-73.7-20.3000110.5R331 Y333 R376R331-D378 PolarHBondContact O-N 3Å; Y333-D378 HydrophobicContact CE2-CB 4.24Å; Y333-D378 VanDerWaalsContact CE2-OD2 3.23Å; Y333-D378 WeakPolarHBondContact CE2-OD2 3.22Å; R376-D378 IonicContact CZ-OD1 3.04Å; R376-D378 VanDerWaalsContact CZ-OD1 3.26Å; R376-D378 IonicContact CZ-OD2 3.26Å; R376-D378 IonicContact NE-OD1 2.69Å; R376-D378 PolarHBondContact NE-OD1 3.12Å; R376-D378 IonicContact NE-OD2 2.77Å; R376-D378 PolarHBondContact NE-OD2 3.38Å; R376-D378 IonicContact NH2-OD1 3.61Å; R376-D378 PolarHBondContact NH2-OD1 2.91Å; R376-D378 IonicContact NH2-OD2 2.87Å; R376-D378 PolarHBondContact NH2-OD2 3.27Å; R376-D378 VanDerWaalsContact NH2-OD2 3.08Å

Retrieved 378 of 378 residues in 176.4 ms (Link to these results)