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Isoform 1 of Muscular LMNA-interacting protein

AlphaFold DB (A0A096MK47), UniProt , Accession A0A096MK47-1 (canonical: A0A096MK47), Species RAT (Rattus norvegicus, Rat), Gene Mlip, Length 807 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
1M39.1Very low44.8Very low242 Ų242167.3 Ų167.3100%1.19285%0.85SS**  0124.40-70.6159.616900105.8
2E41.8Very low44.8Very low175 Ų175167.5 Ų167.582%0.81885%0.853SS**  cis-117.9163.50.1-63.3147.9120.500110.5
3F52.9Low45Very low221 Ų221169.5 Ų169.597%0.96985%0.853SS**  trans-156.5127.2138.2-103.5-67.4000107.6
4E47.5Very low45.1Very low156 Ų156170.6 Ų170.673%0.72985%0.849SS**  trans-103170.2-164.4-154.2-156.7127.600112.1
5K51.3Low44.8Very low173 Ų173169.1 Ų169.175%0.75285%0.845SS**  trans77.390.6165.1-54-161.7175.1-174.40117.7
6H45.9Very low44.9Very low194 Ų194169.5 Ų169.590%0.89884%0.844SS**  trans-70.2134.1151-87.1-124.8000111.5
7E43.3Very low44.7Very low184 Ų184169.2 Ų169.286%0.8684%0.836SS**  trans-156.794.5149.6-164.3169.1179.400106.4
8Q44.8Very low44.5Very low182 Ų182170.1 Ų170.185%0.8584%0.843SS**  77108.164-163.8171.159.300112.5
9G42.1Very low44.6Very low74 Ų74167.2 Ų167.276%0.76383%0.828SS**  trans176.959.1-168.300000113.2A11G9-A11 PolarHBondContact O-N 3.41Å
10N42.2Very low44.5Very low156 Ų156167.9 Ų167.983%0.83483%0.828SS**  trans-37.2126.5162.7-80.6-41.8000111.9
11A41.9Very low44.4Very low83 Ų83166.4 Ų166.469%0.68681%0.814SS**  69.9114.268.900000114.7G9G9-A11 PolarHBondContact O-N 3.41Å
12L44.9Very low44.5Very low170 Ų170159.9 Ų159.989%0.8979%0.787SS**  trans-164.9135.1137.9-108.1167.1000111.4
13K46.7Very low44.2Very low194 Ų194156.4 Ų156.484%0.84378%0.778SS**  trans-83.7143.3174.4-58.3172.1-179.6175.60110.3
14K47.7Very low43.6Very low184 Ų184155 Ų15580%0.877%0.772SS**  trans-176.7148.3144.9-103.7147.3-171.1174.10112.4
15N40.6Very low43.4Very low149 Ų149155.3 Ų155.380%0.79777%0.773SS**  trans59.7100166.3-41.1-19.2000114
16E46.3Very low42.9Very low175 Ų175156.3 Ų156.382%0.81877%0.774SS**  cis65.598.146-164.8166.3-172.500115.2
17K40.8Very low42.8Very low164 Ų164150.8 Ų150.871%0.71376%0.756SS**  trans57.396.7137-165.3-174.8-179.7-175.70119.2
18L41Very low42.6Very low185 Ų185148.2 Ų148.297%0.96975%0.749SS**  trans-125104136.3-88.3169.9000108.8
19E46.7Very low42.7Very low116 Ų116146.5 Ų146.554%0.54274%0.74SS.*  trans-95.3110.9171-177.7-172.1148.600106.6R21E19-R21 VanDerWaalsContact C-N 3.25Å; E19-R21 HydrophobicContact CG-CG 4.32Å; E19-R21 PolarHBondContact O-N 3.38Å; E19-R21 IonicContact OE1-CZ 3.22Å; E19-R21 VanDerWaalsContact OE1-CZ 3.22Å; E19-R21 IonicContact OE1-NE 2.78Å; E19-R21 PolarHBondContact OE1-NE 3.37Å; E19-R21 IonicContact OE1-NH2 2.65Å; E19-R21 PolarHBondContact OE1-NH2 3.49Å
20E42.9Very low42.8Very low180 Ų180150.7 Ų150.784%0.84174%0.742SS**  trans-73.675-172-165-176.115600112V22E20-V22 VanDerWaalsContact C-N 3.35Å; E20-V22 HydrophobicContact CG-CG2 4.19Å; E20-V22 PolarHBondContact O-N 3.3Å; E20-V22 VanDerWaalsContact O-N 3.07Å
21R41.4Very low42.9Very low138 Ų138148.9 Ų148.952%0.52174%0.737SS.*  trans-78.683.2171.3-69.1-173.5175.2-123.2-11.2109.9E19 T23 H362E19-R21 VanDerWaalsContact C-N 3.25Å; E19-R21 HydrophobicContact CG-CG 4.32Å; E19-R21 PolarHBondContact O-N 3.38Å; E19-R21 IonicContact OE1-CZ 3.22Å; E19-R21 VanDerWaalsContact OE1-CZ 3.22Å; E19-R21 IonicContact OE1-NE 2.78Å; E19-R21 PolarHBondContact OE1-NE 3.37Å; E19-R21 IonicContact OE1-NH2 2.65Å; E19-R21 PolarHBondContact OE1-NH2 3.49Å; R21-T23 PolarHBondContact O-N 3Å; R21-T23 PolarHBondContact O-OG1 2.82Å; R21-H362 PolarHBondContact NH1-NE2 2.68Å; R21-H362 PolarHBondContact NH2-NE2 2.9Å
22V40.9Very low43Very low104 Ų104153.2 Ų153.263%0.6374%0.741SS**  trans-60.990.4164.5-176.90000108.2E20 F24E20-V22 VanDerWaalsContact C-N 3.35Å; E20-V22 HydrophobicContact CG-CG2 4.19Å; E20-V22 PolarHBondContact O-N 3.3Å; E20-V22 VanDerWaalsContact O-N 3.07Å; V22-F24 HydrophobicContact CG1-CD2 4.4Å
23T37.2Very low42.9Very low102 Ų102150.2 Ų150.263%0.62673%0.734SS**  trans-97.4103.1-176-52.90000106.6R21 E25R21-T23 PolarHBondContact O-N 3Å; R21-T23 PolarHBondContact O-OG1 2.82Å; T23-E25 HydrophobicContact CG2-CG 4.17Å; T23-E25 PolarHBondContact O-N 3.28Å
24F38.9Very low42.5Very low192 Ų192147.1 Ų147.184%0.84274%0.735SS**  trans-74.678.2178-119.7-87.5000109.4V22 Y26V22-F24 HydrophobicContact CG1-CD2 4.4Å; F24-Y26 PolarHBondContact O-N 2.97Å
25E43.1Very low42.1Very low162 Ų162145.1 Ų145.176%0.75773%0.729SS**  trans-73.1112.4166.1-70.5-156.2141.100108.9T23 S27T23-E25 HydrophobicContact CG2-CG 4.17Å; T23-E25 PolarHBondContact O-N 3.28Å; E25-S27 PolarHBondContact O-N 3.2Å; E25-S27 VanDerWaalsContact O-N 3.08Å
26Y41.1Very low42Very low195 Ų195143.4 Ų143.477%0.76573%0.728SS**  trans-7791.9172.5-164.2-91.1000108.2F24 D28F24-Y26 PolarHBondContact O-N 2.97Å; Y26-D28 VanDerWaalsContact CE1-OD1 3.28Å; Y26-D28 WeakPolarHBondContact CE1-OD1 3.26Å; Y26-D28 PolarHBondContact O-N 3.21Å
27S44.4Very low42Very low77 Ų77142.6 Ų142.654%0.53872%0.722SS.*  trans-92.888.3-171.154.60000111.8E25 H29E25-S27 PolarHBondContact O-N 3.2Å; E25-S27 VanDerWaalsContact O-N 3.08Å; S27-H29 PolarHBondContact O-N 2.79Å
28D39.1Very low42Very low131 Ų131141.8 Ų141.870%0.70172%0.721SS**  trans-6688.1174.9-72.4-49.3000111.7Y26Y26-D28 VanDerWaalsContact CE1-OD1 3.28Å; Y26-D28 WeakPolarHBondContact CE1-OD1 3.26Å; Y26-D28 PolarHBondContact O-N 3.21Å
29H46.8Very low42.1Very low145 Ų145142 Ų14267%0.67172%0.717SS**  trans-163.278.1166.231.5-88.5000113S27 T31S27-H29 PolarHBondContact O-N 2.79Å; H29-T31 PolarHBondContact O-N 2.78Å
30M45.1Very low41.8Very low162 Ų162144.9 Ų144.980%0.79872%0.723SS**  trans-88.289.9159.6-93.8164.453.600109.8F32M30-F32 HydrophobicContact CE-CE2 4.06Å; M30-F32 HydrophobicContact CE-CZ 3.87Å
31T43.4Very low41.8Very low118 Ų118144 Ų14472%0.72472%0.723SS**  trans-93.6114.3169.9-57.50000109.4H29 S33H29-T31 PolarHBondContact O-N 2.78Å; T31-S33 PolarHBondContact O-N 3.02Å
32F44.2Very low41.6Very low175 Ų175144.4 Ų144.477%0.76873%0.731SS**  trans-80.695.9178.1-74.2-85.3000111.4M30 C34M30-F32 HydrophobicContact CE-CE2 4.06Å; M30-F32 HydrophobicContact CE-CZ 3.87Å; F32-C34 PolarHBondContact O-N 3.49Å
33S42.1Very low41.8Very low107 Ų107151.3 Ų151.375%0.74875%0.746SS**  trans-83.795.2171.6-61.90000110.9T31 E35T31-S33 PolarHBondContact O-N 3.02Å; S33-E35 PolarHBondContact O-N 3.03Å; S33-E35 VanDerWaalsContact O-N 3.1Å
34C38.5Very low42Very low128 Ų128152.7 Ų152.787%0.86575%0.748SS**  trans-77.689.4170.5-168.50000110.1F32 S36F32-C34 PolarHBondContact O-N 3.49Å; C34-S36 PolarHBondContact O-N 2.79Å
35E39.2Very low42.3Very low143 Ų143151.9 Ų151.967%0.66875%0.752SS**  trans-90.387.5-179.9-160.9-174.7-168.400111.4S33 K37S33-E35 PolarHBondContact O-N 3.03Å; S33-E35 VanDerWaalsContact O-N 3.1Å; E35-K37 PolarHBondContact O-N 3.42Å; E35-K37 WeakPolarHBondContact OE1-CE 3.23Å; E35-K37 IonicContact OE1-NZ 2.68Å; E35-K37 PolarHBondContact OE1-NZ 2.79Å; E35-K37 IonicContact OE2-NZ 2.79Å; E35-K37 PolarHBondContact OE2-NZ 3.04Å; E35-K37 VanDerWaalsContact OE2-NZ 3.08Å
36S38.1Very low42.5Very low113 Ų113150.1 Ų150.179%0.7975%0.748SS**  trans-72.1104.6172.858.50000110.8C34C34-S36 PolarHBondContact O-N 2.79Å
37K46.9Very low42.2Very low157 Ų157151.5 Ų151.568%0.68375%0.753SS**  trans-98.6118172-91.5168.1173.6142.40111.5E35 E39E35-K37 PolarHBondContact O-N 3.42Å; E35-K37 WeakPolarHBondContact OE1-CE 3.23Å; E35-K37 IonicContact OE1-NZ 2.68Å; E35-K37 PolarHBondContact OE1-NZ 2.79Å; E35-K37 IonicContact OE2-NZ 2.79Å; E35-K37 PolarHBondContact OE2-NZ 3.04Å; E35-K37 VanDerWaalsContact OE2-NZ 3.08Å; K37-E39 PolarHBondContact O-N 3.11Å
38E41.2Very low42.5Very low148 Ų148152.2 Ų152.269%0.69276%0.756SS**  trans-76.193.4176.8179.7-170.7156.600110R40E38-R40 IonicContact OE1-CZ 3.08Å; E38-R40 IonicContact OE1-NH1 2.65Å; E38-R40 PolarHBondContact OE1-NH1 2.99Å; E38-R40 IonicContact OE1-NH2 2.67Å; E38-R40 PolarHBondContact OE1-NH2 2.8Å
39E42.8Very low42.4Very low189 Ų189150.9 Ų150.988%0.88376%0.757SS**  trans-101.3114.7169-167.5156-153.400109.5K37K37-E39 PolarHBondContact O-N 3.11Å
40R39.5Very low42.1Very low177 Ų177152.5 Ų152.567%0.66877%0.765SS**  trans-82.1135.4173.6-68171.8174.66412.9108.5E38E38-R40 IonicContact OE1-CZ 3.08Å; E38-R40 IonicContact OE1-NH1 2.65Å; E38-R40 PolarHBondContact OE1-NH1 2.99Å; E38-R40 IonicContact OE1-NH2 2.67Å; E38-R40 PolarHBondContact OE1-NH2 2.8Å
41D43Very low42.2Very low160 Ų160151.7 Ų151.786%0.85677%0.768SS**  trans-147.4140146.9-133.2-19.9000111.5
42Q38.2Very low42.2Very low147 Ų147151 Ų15169%0.68777%0.769SS**  trans-80.8125.3-173.4-10283.321.300112.2
43R44.4Very low42Very low250 Ų250146.2 Ų146.294%0.94377%0.769SS**  trans-134.3127.6136.9-71.6-160.4-161.8-89.90.6111.1
44I41.5Very low42.2Very low131 Ų131150 Ų15067%0.67277%0.772SS**  trans-95.2134.9178.4-63.2158.1000108.1
45L45.5Very low42Very low174 Ų174151.8 Ų151.891%0.91177%0.772SS**  trans-154.5128.6143.6-16164.4000109.8
46D47Very low42.1Very low126 Ų126150.9 Ų150.967%0.67478%0.782SS**  trans-95145.4-166.4-44.2-95.1000113.3
47Y36Very low42.4Very low223 Ų223154.3 Ų154.388%0.87579%0.785SS**  -164.8151.8114.3-133.4-124.6000112.5
48P49.2Very low42Very low93 Ų93158.2 Ų158.260%0.60480%0.796SS**  trans-87.5149.7-167.934.1-30.8000113.5
49S37.8Very low42.2Very low102 Ų102159.2 Ų159.271%0.71380%0.798SS**  57115.176.7-178.70000115
50E40.8Very low42.2Very low179 Ų179157.5 Ų157.584%0.83679%0.79SS**  177.2179.9116-97.1-172.8-163.800112.6
51V46.2Very low42.6Very low145 Ų145157.7 Ų157.788%0.87980%0.796SS**  trans79.7130.9177.8-172.40000117.4
52S43.4Very low42.8Very low105 Ų105156.5 Ų156.573%0.73479%0.789SS**  cis-168.7106.1-41.8178.20000109.7
53G41.1Very low43.3Very low74 Ų74156.1 Ų156.176%0.76380%0.797SS**  trans67.4174.9173.600000115.8
54K45.2Very low44Very low187 Ų187153.4 Ų153.481%0.81379%0.792SS**  cis-140.5134.25.2-60.7171-172.1170.60110.6
55N34.8Very low44.6Very low164 Ų164155.1 Ų155.188%0.87780%0.798SS**  trans44.690.8143.4-47.57.3000117.7
56S42.5Very low45.1Very low124 Ų124152.5 Ų152.587%0.86779%0.791SS**  trans-137.2148.9148-168.40000110.6R58S56-R58 PolarHBondContact O-N 3.32Å
57Q44.2Very low46Very low185 Ų185154.8 Ų154.886%0.86480%0.798SS**  trans-80.5116.8-165.8-165.6172.714.200110.6K59Q57-K59 VanDerWaalsContact C-N 3.26Å; Q57-K59 PolarHBondContact O-N 2.95Å
58R38.6Very low47.6Very low239 Ų239147 Ų14790%0.90279%0.785SS**  trans-67.480.7177.1-172.6-177.9-176173.91.6110.5S56 E60S56-R58 PolarHBondContact O-N 3.32Å; R58-E60 PolarHBondContact O-N 3.27Å
59K44.5Very low48.8Very low169 Ų169148.8 Ų148.874%0.73579%0.787SS**  trans-71.8115.6170.8-168.2173.7-176179.20108.2Q57 F61Q57-K59 VanDerWaalsContact C-N 3.26Å; Q57-K59 PolarHBondContact O-N 2.95Å; K59-F61 VanDerWaalsContact O-CD2 3.27Å; K59-F61 WeakPolarHBondContact O-CD2 3.29Å; K59-F61 PolarHBondContact O-N 3.09Å; K59-F61 VanDerWaalsContact O-N 3.1Å
60E44Very low50.5Low153 Ų153150.5 Ų150.572%0.71578%0.784SS**  trans-72.2102.8-178.6-169161.3-12100109.9R58 N62R58-E60 PolarHBondContact O-N 3.27Å; E60-N62 PolarHBondContact O-N 2.92Å; E60-N62 PolarHBondContact O-ND2 3.49Å
61F46.7Very low52Low182 Ų182152.9 Ų152.980%0.79879%0.791SS**  trans-67.495.6175.4-67.4-88.1000108.7K59 T63K59-F61 VanDerWaalsContact O-CD2 3.27Å; K59-F61 WeakPolarHBondContact O-CD2 3.29Å; K59-F61 PolarHBondContact O-N 3.09Å; K59-F61 VanDerWaalsContact O-N 3.1Å; F61-T63 PolarHBondContact O-N 3.45Å
62N47.5Very low53.3Low134 Ų134149 Ų14972%0.71778%0.78SS**  trans-62.1103.3172-89.4-109.1000108.4E60 K64E60-N62 PolarHBondContact O-N 2.92Å; E60-N62 PolarHBondContact O-ND2 3.49Å; N62-K64 PolarHBondContact O-N 3.07Å
63T48.3Very low55Low139 Ų139148.2 Ų148.285%0.85377%0.768SS**  trans-60.797.8173.1-45.80000108.3F61 E65F61-T63 PolarHBondContact O-N 3.45Å; T63-E65 PolarHBondContact O-N 2.96Å
64K58.8Low56.8Low193 Ų193152.7 Ų152.784%0.83977%0.774SS**  trans-69.4105.6176.1-73.1-169.6176.1-175.40108.4N62N62-K64 PolarHBondContact O-N 3.07Å
65E54.2Low58.1Low167 Ų167151.3 Ų151.378%0.7877%0.768SS**  trans-47.9130.4164.2-174.5178.3-162.200108.9T63 Q67T63-E65 PolarHBondContact O-N 2.96Å; E65-Q67 PolarHBondContact O-N 2.78Å
66P57.2Low60Low120 Ų120151.7 Ų151.778%0.77976%0.762SS**  trans-63.8110.1-178.925.7-33.3000108.8G68P66-G68 PolarHBondContact O-N 2.98Å
67Q65.8Low61.5Low173 Ų173148.3 Ų148.381%0.80874%0.741SS**  trans-63109.2-169.8-173.8160.8600110.5E65 M69E65-Q67 PolarHBondContact O-N 2.78Å; Q67-M69 PolarHBondContact O-N 2.94Å
68G68.8Low62.5Low59 Ų59145.8 Ų145.861%0.60873%0.729SS**PPolyproline II helixtrans-57.3133.7-173.600000112.6P66 Q70P66-G68 PolarHBondContact O-N 2.98Å; G68-Q70 PolarHBondContact O-N 3.17Å
69M73.9Confident64.3Low131 Ų131143.3 Ų143.365%0.64572%0.722SS**PPolyproline II helixtrans-56.5124.9-176.8-65.2174.766.700111.1Q67 F75Q67-M69 PolarHBondContact O-N 2.94Å; M69-F75 HydrophobicContact CE-CB 4.05Å; M69-F75 HydrophobicContact CE-CD1 4.4Å
70Q74.3Confident65.8Low139 Ų139140.1 Ų140.165%0.6572%0.716SS**PPolyproline II helixtrans-77.9157.8175.5-62-161-0.800111.3G68 G72 D73G68-Q70 PolarHBondContact O-N 3.17Å; Q70-G72 PolarHBondContact O-N 2.87Å; Q70-D73 PolarHBondContact N-OD2 2.9Å; Q70-D73 PolarHBondContact O-N 3.46Å
71K72.6Confident67.2Low228 Ų228140 Ų14099%0.99171%0.713SS**THydrogen-bonded Turntrans-69.575.8178.2-172.1-178.9178.21730111.4
72G72.7Confident68.8Low63 Ų63138.1 Ų138.165%0.64971%0.71SS**THydrogen-bonded Turntrans156.6-14.3-173.100000113.8Q70 L74Q70-G72 PolarHBondContact O-N 2.87Å; G72-L74 PolarHBondContact O-N 2.82Å
73D79.7Confident70.4Confident89 Ų89137 Ų13748%0.47671%0.708SS.*  trans-68.3113.7179.1-71-23.9000111.2Q70 F75Q70-D73 PolarHBondContact N-OD2 2.9Å; Q70-D73 PolarHBondContact O-N 3.46Å; D73-F75 PolarHBondContact O-N 2.65Å
74L78.6Confident71.5Confident169 Ų169136.6 Ų136.689%0.88570%0.7SS**  trans-73.9105.2170.2-100.165.3000108.9G72 K76G72-L74 PolarHBondContact O-N 2.82Å; L74-K76 PolarHBondContact O-N 2.78Å
75F72.4Confident71.9Confident157 Ų157129.4 Ų129.469%0.68968%0.675SS**PPolyproline II helixtrans-64.8132.3164.265.6-85.8000109.7M69 D73 A77M69-F75 HydrophobicContact CE-CB 4.05Å; M69-F75 HydrophobicContact CE-CD1 4.4Å; D73-F75 PolarHBondContact O-N 2.65Å; F75-A77 HydrophobicContact CD2-CB 4Å; F75-A77 HydrophobicContact CE2-CB 3.89Å; F75-A77 PolarHBondContact O-N 3.08Å
76K75.2Confident72.1Confident173 Ų173129.4 Ų129.475%0.75268%0.68SS**PPolyproline II helixtrans-75.3119158.7-81.2-175.8114.8-144.20107.3L74 E78L74-K76 PolarHBondContact O-N 2.78Å; K76-E78 IonicContact NZ-OE1 3.65Å; K76-E78 PolarHBondContact NZ-OE1 3.08Å
77A73.3Confident72Confident52 Ų52127.3 Ų127.343%0.4368%0.68SS.*PPolyproline II helixtrans-100130.2158.600000108.2F75 Y79F75-A77 HydrophobicContact CD2-CB 4Å; F75-A77 HydrophobicContact CE2-CB 3.89Å; F75-A77 PolarHBondContact O-N 3.08Å; A77-Y79 HydrophobicContact CB-CE2 4.05Å
78E64.7Low71.5Confident132 Ų132128 Ų12862%0.61768%0.683SS**  trans-113126.6173.7-66.8178.6-179.700107K76K76-E78 IonicContact NZ-OE1 3.65Å; K76-E78 PolarHBondContact NZ-OE1 3.08Å
79Y76.7Confident70.7Confident188 Ų188132.1 Ų132.174%0.73769%0.691SS**  trans-105.4121.3-175.2-72.1-87.3000109.6A77A77-Y79 HydrophobicContact CB-CE2 4.05Å
80V77Confident69.5Low101 Ų101133.5 Ų133.561%0.61270%0.696SS**  trans-98.7112.8174.3-176.60000108.7I82V80-I82 HydrophobicContact CG1-CG1 4.07Å; V80-I82 PolarHBondContact O-N 3.32Å
81F72.4Confident67.9Low151 Ų151130.4 Ų130.466%0.66269%0.694SS**  trans-8898.8173.3-71.9-82.6000109.9V83F81-V83 PolarHBondContact O-N 2.91Å
82I80.6Confident66.6Low142 Ų142124 Ų12473%0.72868%0.675SS**  trans-83.7106.6168.7-54177.9000107.4V80V80-I82 HydrophobicContact CG1-CG1 4.07Å; V80-I82 PolarHBondContact O-N 3.32Å
83V80.6Confident64.7Low111 Ų111127.4 Ų127.467%0.67369%0.687SS**  trans-101.4111.1172.5-179.10000107.7F81 S85F81-V83 PolarHBondContact O-N 2.91Å; V83-S85 PolarHBondContact O-N 2.85Å
84D72.9Confident63Low130 Ų130134.6 Ų134.670%0.69571%0.707SS**  trans-64.5133.6170.9-151.2-7.6000108.8D86D84-D86 PolarHBondContact O-N 3.26Å
85S66.1Low61Low43 Ų43136.2 Ų136.230%0.30171%0.711SS.*  trans-93.896.3-175-68.20000109.2V83 G87V83-S85 PolarHBondContact O-N 2.85Å; S85-G87 PolarHBondContact O-N 3.42Å
86D59.2Low59.1Low166 Ų166132 Ų13289%0.88871%0.712SS**  trans-46.2108.7173.4-72.4-35.4000110.3D84 E88D84-D86 PolarHBondContact O-N 3.26Å; D86-E88 PolarHBondContact O-N 2.98Å
87G54.9Low57.3Low76 Ų76133.5 Ų133.578%0.78472%0.721SS**  trans-74.7109.1-170.600000112.6S85 D89S85-G87 PolarHBondContact O-N 3.42Å; G87-D89 PolarHBondContact O-N 2.85Å
88E54.4Low55.5Low188 Ų188140.6 Ų140.688%0.87975%0.745SS**  trans-73.4102.2171.958.7-169.3148.600111.5D86 E90D86-E88 PolarHBondContact O-N 2.98Å; E88-E90 PolarHBondContact O-N 3.31Å
89D51.7Low54.2Low145 Ų145137.5 Ų137.578%0.77575%0.749SS**  trans-73.185.2173.7-179.431.6000110.7G87 A91G87-D89 PolarHBondContact O-N 2.85Å; D89-A91 PolarHBondContact O-N 2.79Å
90E49.7Very low52.5Low160 Ų160134.7 Ų134.775%0.74875%0.754SS**  trans-75.964.3177.9-160.8-177.9-161.700112.1E88 T92E88-E90 PolarHBondContact O-N 3.31Å; E90-T92 HydrophobicContact CG-CG2 4Å; E90-T92 PolarHBondContact O-N 2.98Å
91A41.5Very low50.9Low74 Ų74136.4 Ų136.461%0.61277%0.767SS**  trans-70.659.2179.100000113.6D89 C93D89-A91 PolarHBondContact O-N 2.79Å; A91-C93 PolarHBondContact O-N 3.44Å
92T43.4Very low49Very low95 Ų95133 Ų13358%0.58378%0.775SS**  trans-101.364.1-177.858.80000113.2E90 R94E90-T92 HydrophobicContact CG-CG2 4Å; E90-T92 PolarHBondContact O-N 2.98Å; T92-R94 VanDerWaalsContact C-N 3.35Å; T92-R94 PolarHBondContact O-N 2.87Å
93C34.2Very low46.8Very low134 Ų134131.1 Ų131.191%0.90578%0.781SS**  trans-59.886.1174.6-71.20000113.3A91 Q95A91-C93 PolarHBondContact O-N 3.44Å; C93-Q95 PolarHBondContact O-N 2.86Å
94R43.9Very low44.6Very low239 Ų239133.3 Ų133.390%0.90279%0.794SS**  trans-83109.2169.6-71.3-69.2-156.6-151-0.1110.2T92T92-R94 VanDerWaalsContact C-N 3.35Å; T92-R94 PolarHBondContact O-N 2.87Å
95Q35.9Very low42.8Very low204 Ų204129.9 Ų129.995%0.95379%0.789SS**  trans-61.7132.9172.5177.7-176.672.300111.7C93C93-Q95 PolarHBondContact O-N 2.86Å
96G33.2Very low41.5Very low69 Ų69135.8 Ų135.871%0.71182%0.818SS**  trans-176.499.2177.700000116.1
97E37.3Very low40.4Very low204 Ų204134.9 Ų134.995%0.95381%0.811SS**  trans57.2167.5162.2-70.9-173.499.700120.8
98Q35.5Very low39.9Very low200 Ų200135.6 Ų135.694%0.93581%0.81SS**  trans-121.4147.5-164.6-59.8177.48.600111.9
99G37.9Very low39.3Very low67 Ų67133.3 Ų133.369%0.69181%0.809SS**  trans-148.9146.517000000111.1
100P40.8Very low38.8Very low129 Ų129135.5 Ų135.584%0.83881%0.806SS**  trans-76.6155.4-168.230.1-35.6000114.2
101P42Very low38.4Very low137 Ų137132.9 Ų132.989%0.8980%0.803SS**  trans-83.1138.7-171.533-35.4000113.2
102G33.9Very low38.8Very low81 Ų81138.7 Ų138.784%0.83582%0.815SS**  trans176.455177.800000118.1
103A33.1Very low38.6Very low102 Ų102139.9 Ų139.984%0.84383%0.827SS**  trans-159.3117.1161.200000111.9G105A103-G105 PolarHBondContact O-N 3.09Å
104T35.7Very low39.1Very low156 Ų156141.2 Ų141.296%0.95782%0.824SS**  trans-79.4112166.342.70000109.8
105G33.7Very low38.9Very low58 Ų58133.8 Ų133.860%0.59881%0.814SS**  trans-161.8107.2175.500000111.7A103 I107A103-G105 PolarHBondContact O-N 3.09Å; G105-I107 PolarHBondContact O-N 3.3Å
106N38.7Very low39Very low167 Ų167131 Ų13189%0.89380%0.804SS**  trans-80.758.217959.2-40.9000112
107I36.3Very low39.1Very low147 Ų147132.7 Ų132.775%0.75481%0.805SS**  trans-101.4110.6178.1-57.2177.8000108.7G105 T109G105-I107 PolarHBondContact O-N 3.3Å; I107-T109 PolarHBondContact O-N 3.38Å
108A45.9Very low39.3Very low92 Ų92127.9 Ų127.976%0.7679%0.794SS**  trans-63.2127.1170.800000109.8R110A108-R110 PolarHBondContact O-N 2.67Å
109T41.4Very low39.4Very low140 Ų140124.2 Ų124.286%0.85979%0.79SS**  trans-68.495.6-172.6-500000111.4I107I107-T109 PolarHBondContact O-N 3.38Å
110R39.9Very low39.4Very low190 Ų190128.3 Ų128.372%0.71780%0.796SS**PPolyproline II helixtrans-50.5127.5176.3-173.3-172.9-173.6-156.15.4110.8A108 K112A108-R110 PolarHBondContact O-N 2.67Å; R110-K112 PolarHBondContact O-N 2.86Å
111P43.1Very low39.1Very low105 Ų105126.8 Ų126.868%0.68279%0.794SS**PPolyproline II helixtrans-55.2125.2169.7-25.234.7000110.5S113P111-S113 PolarHBondContact O-N 2.84Å
112K49.9Very low38.8Very low197 Ų197124.8 Ų124.886%0.85778%0.783SS**PPolyproline II helixtrans-69.3131.7170.2-69.1173.7-177.4170.20107.5R110 L114R110-K112 PolarHBondContact O-N 2.86Å; K112-L114 PolarHBondContact O-N 2.86Å; K112-L114 VanDerWaalsContact O-N 3.1Å
113S38.7Very low38.7Very low119 Ų119127.9 Ų127.983%0.83278%0.781SS**  trans-42.7112.7-172.152.40000113P111 A115P111-S113 PolarHBondContact O-N 2.84Å; S113-A115 PolarHBondContact O-N 3.2Å
114L43.8Very low39Very low162 Ų162128.8 Ų128.885%0.84878%0.775SS**  trans-60.2131.7175.9-86.7158.1000110.3K112 I116K112-L114 PolarHBondContact O-N 2.86Å; K112-L114 VanDerWaalsContact O-N 3.1Å; L114-I116 PolarHBondContact O-N 3.1Å; L114-I116 VanDerWaalsContact O-N 3.17Å
115A39.5Very low39Very low83 Ų83126.9 Ų126.969%0.68676%0.763SS**  trans-74.7105.6-179.200000110.4S113 S117S113-A115 PolarHBondContact O-N 3.2Å; A115-S117 PolarHBondContact O-N 2.91Å; A115-S117 PolarHBondContact O-OG 3.4Å; A115-S117 VanDerWaalsContact O-OG 3.04Å
116I39.6Very low39.2Very low145 Ų145134.8 Ų134.874%0.74478%0.775SS**  trans-62.294.8-178.4-52.4174.2000110L114 S118L114-I116 PolarHBondContact O-N 3.1Å; L114-I116 VanDerWaalsContact O-N 3.17Å; I116-S118 PolarHBondContact O-N 3.44Å
117S34.9Very low38.8Very low105 Ų105132.8 Ų132.873%0.73477%0.771SS**  trans-95.976.6-177-61.30000109.9A115 S119A115-S117 PolarHBondContact O-N 2.91Å; A115-S117 PolarHBondContact O-OG 3.4Å; A115-S117 VanDerWaalsContact O-OG 3.04Å; S117-S119 PolarHBondContact O-N 3.41Å
118S40.3Very low39Very low104 Ų104135.6 Ų135.673%0.72778%0.778SS**  trans-70.194.5-178.259.50000111.6I116 L120I116-S118 PolarHBondContact O-N 3.44Å; S118-L120 PolarHBondContact O-N 2.87Å
119S37.3Very low38.9Very low122 Ų122137.6 Ų137.685%0.85378%0.78SS**  trans-74.333.3-179.652.20000114.7S117 A121S117-S119 PolarHBondContact O-N 3.41Å; S119-A121 PolarHBondContact O-N 2.98Å
120L39.5Very low38.6Very low154 Ų154142.4 Ų142.481%0.80678%0.783SS**  trans-9467.9173.9-164.467.2000110.9S118 S122S118-L120 PolarHBondContact O-N 2.87Å; L120-S122 PolarHBondContact O-N 3.31Å; L120-S122 VanDerWaalsContact O-N 3.08Å
121A34.1Very low38.5Very low97 Ų97136.6 Ų136.680%0.80278%0.782SS**  trans-73.893.7171.200000109.8S119 D123S119-A121 PolarHBondContact O-N 2.98Å; A121-D123 PolarHBondContact O-N 2.67Å; A121-D123 VanDerWaalsContact O-N 3.11Å
122S36.2Very low38.5Very low95 Ų95138.7 Ų138.766%0.66479%0.793SS**  trans-57.4113.9175.1-60.80000111.1L120 V124L120-S122 PolarHBondContact O-N 3.31Å; L120-S122 VanDerWaalsContact O-N 3.08Å; S122-V124 VanDerWaalsContact C-N 3.32Å; S122-V124 PolarHBondContact O-N 3.26Å
123D30.6Very low37.8Very low146 Ų146135.3 Ų135.378%0.78178%0.784SS**  trans-7281.2-176.4-17422.2000112A121 V125A121-D123 PolarHBondContact O-N 2.67Å; A121-D123 VanDerWaalsContact O-N 3.11Å; D123-V125 WeakPolarHBondContact OD1-CG2 3.5Å
124V39.1Very low38.1Very low120 Ų120135.7 Ų135.773%0.72778%0.781SS**  trans-113.775.3176.2-173.10000109S122 R126S122-V124 VanDerWaalsContact C-N 3.32Å; S122-V124 PolarHBondContact O-N 3.26Å; V124-R126 PolarHBondContact O-N 3.19Å
125V37.6Very low37.9Very low116 Ų116136.3 Ų136.370%0.70378%0.777SS**  trans-57.9106.3173.8-178.90000110.3D123 P127D123-V125 WeakPolarHBondContact OD1-CG2 3.5Å; V125-P127 WeakPolarHBondContact O-CD 3.27Å
126R35.8Very low37.8Very low225 Ų225138.5 Ų138.585%0.84978%0.781SS**  trans-65.7124.5170.6-77.9-174.4167.7110.9-4.9110.2V124 K128V124-R126 PolarHBondContact O-N 3.19Å; R126-K128 PolarHBondContact O-N 3.34Å; R126-K128 VanDerWaalsContact O-N 3.16Å
127P31.9Very low37.6Very low124 Ų124136 Ų13681%0.80578%0.777SS**  trans-68.6112.2174-18.432.1000111.2V125V125-P127 WeakPolarHBondContact O-CD 3.27Å
128K39.5Very low37.7Very low206 Ų206136.2 Ų136.290%0.89678%0.778SS**PPolyproline II helixtrans-83.7125169.6-169.476174.8-172.40109.1R126R126-K128 PolarHBondContact O-N 3.34Å; R126-K128 VanDerWaalsContact O-N 3.16Å
129V44.8Very low37.4Very low135 Ų135140 Ų14082%0.81878%0.784SS**PPolyproline II helixtrans-74146.8-176.5177.80000111.9
130R35.3Very low37.7Very low240 Ų240139.6 Ų139.691%0.90678%0.779SS**PPolyproline II helixtrans-51.6144-176.7-176.7-177.6-63.5-169.8-0.2114.6
131G38Very low37.7Very low69 Ų69140.6 Ų140.671%0.71178%0.779SS**  trans-154.948.4-176.100000117.8
132V42.9Very low38.1Very low148 Ų148143.3 Ų143.390%0.89778%0.779SS**  trans71.6153.4163.6-168.80000117.1
133D34.1Very low38.7Very low126 Ų126142.8 Ų142.867%0.67477%0.773SS**  trans-120.3157.3-172.5163.445.2000110.7
134V45Very low39.3Very low128 Ų128144.5 Ų144.578%0.77678%0.776SS**  trans-178.8112.6141.7151.90000110.7
135K39.8Very low39.6Very low175 Ų175142.2 Ų142.276%0.76178%0.777SS**  trans18.9150.3133.4-66.4-172.6176.7-179.30120.5
136V36.9Very low40.4Very low128 Ų128144.6 Ų144.678%0.77678%0.784SS**  cis-160.8-177.18.5110.30000112.2
137S35.5Very low40.8Very low94 Ų94138.3 Ų138.366%0.65778%0.78SS**  trans-64178.4176.662.40000115.4
138S37.4Very low41.6Very low108 Ų108137.8 Ų137.876%0.75578%0.777SS**  cis-163.9163.824.8-19.50000113.9
139H35.1Very low41.6Very low185 Ų185135.7 Ų135.786%0.85677%0.77SS**  trans-80.2176.7159.6-98.5-59.2000111.4
140P43.3Very low41.5Very low113 Ų113137.1 Ų137.173%0.73477%0.768SS**  cis-142.8-152.321.945.2-24000116.1
141E39.8Very low41.6Very low174 Ų174134.2 Ų134.281%0.81376%0.762SS**  trans115.7161.8153.5-149144.4-155.200118.6
142I41.4Very low41.6Very low154 Ų154139.6 Ų139.679%0.7977%0.768SS**  trans-161.6-162.3-150.128.9164.3000109
143P48.9Very low41Very low84 Ų84135.7 Ų135.755%0.54576%0.758SS.*  cis-138.3-169.3-119.310.5000116.8
144H42.5Very low41.1Very low182 Ų182138.9 Ų138.984%0.84377%0.769SS**  trans77.6135.4165.7-43.4-65.1000117.8
145G45.7Very low40.4Very low73 Ų73140.6 Ų140.675%0.75377%0.773SS**  cis-169.8-147.2-1.700000109.5
146I55.3Low40.3Very low165 Ų165139.1 Ų139.185%0.84678%0.779SS**  cis-155.5146.4-4.7-49.4172.8000108.5
147A43Very low40.2Very low94 Ų94138.7 Ų138.778%0.77778%0.781SS**  trans69.2151.8163.100000122
148P48.7Very low40.3Very low112 Ų112140.1 Ų140.173%0.72779%0.788SS**  trans-140-170.9-159.438.8-15.5000117.6
149Q41.3Very low40.1Very low162 Ų162141.1 Ų141.176%0.75779%0.79SS**  trans76.4153.2172.1-50.5-64.1-11.900115.3
150Q41.3Very low40.1Very low166 Ų166138.8 Ų138.878%0.77679%0.789SS**  cis-151.81469.6-149.7170.5-96.900113.8
151K38.7Very low39.9Very low178 Ų178139 Ų13977%0.77479%0.793SS**  trans43.2135.9150.1-78.7-85-174.1168.20123.1
152H36.9Very low39.7Very low183 Ų183139.3 Ų139.385%0.84779%0.794SS**  trans85.7130.5152.1-124.9-65.9000117.5
153G31.5Very low39.5Very low66 Ų66139.9 Ų139.968%0.6879%0.794SS**  trans-133.7176.9176.600000112.1
154Q35.4Very low38.9Very low192 Ų192143 Ų14390%0.89781%0.805SS**  trans-146.8161.5167.3-163.31641200109.1
155L30.5Very low38.7Very low165 Ų165139.2 Ų139.286%0.86481%0.805SS**  trans-76.4140.2-173.3-63.4158.3000112.6
156T37.2Very low38.2Very low144 Ų144144.9 Ų144.988%0.88381%0.812SS**  trans-155.3135.2147.317.30000109.9
157S34.1Very low37.3Very low118 Ų118146.7 Ų146.783%0.82581%0.813SS**  trans-105.6147174.850.50000110.9
158P39.4Very low37.2Very low125 Ų125147.1 Ų147.181%0.81281%0.808SS**  trans-118.9139159.735.3-25.6000112.8
159T31.8Very low36.9Very low129 Ų129147.1 Ų147.179%0.79181%0.808SS**  trans-71.1144.1168.6-50.40000111
160T34.5Very low36.7Very low136 Ų136144.3 Ų144.383%0.83481%0.813SS**  trans149.9127.4131.5500000113
161S39.6Very low36.6Very low117 Ų117145.1 Ų145.182%0.81881%0.814SS**  174.4138.4116.9-171.50000110
162E35.9Very low36.5Very low180 Ų180141.8 Ų141.884%0.84181%0.813SS**  trans-71.2154.4162.7-63.3165.689.500110.3
163Q37.4Very low36.4Very low167 Ų167142 Ų14278%0.7881%0.813SS**  trans-172.5132.2135.1-88.8-112.7-20.400111.3
164L36.5Very low36.8Very low149 Ų149144.9 Ų144.978%0.7882%0.817SS**  trans47.894.6151-55.6178000119.4
165A37.5Very low36.7Very low103 Ų103139.9 Ų139.985%0.85180%0.802SS**  trans-132130.1155.200000110.5
166H36.2Very low37.2Very low191 Ų191138.3 Ų138.388%0.88480%0.802SS**PPolyproline II helixtrans-77.6137-175.7-71.2-83.5000112.5
167K35Very low36.9Very low203 Ų203137.3 Ų137.388%0.88380%0.796SS**PPolyproline II helixtrans-79.1122.9-173.5-164.8173.4-174.3174.70111.4
168P42.9Very low37.3Very low103 Ų103139.3 Ų139.367%0.66980%0.798SS**PPolyproline II helixtrans-71.8163.2172.730.7-34.7000111.5
169P40.8Very low36.9Very low112 Ų112142.5 Ų142.573%0.72780%0.802SS**PPolyproline II helixtrans-61.1142.5179.5-22.134000112.7F171P169-F171 PolarHBondContact O-N 3.3Å
170A37.2Very low37.3Very low104 Ų104145.9 Ų145.986%0.8681%0.805SS**  trans-74.9114.5177.100000110.8S172A170-S172 PolarHBondContact O-N 2.97Å
171F40.1Very low37.3Very low182 Ų182145.3 Ų145.380%0.79880%0.802SS**  trans-73.6121.2168.9-71.1-87.8000109.7P169 F173P169-F171 PolarHBondContact O-N 3.3Å; F171-F173 PolarHBondContact O-N 3.2Å
172S35.6Very low37.6Very low108 Ų108144.7 Ų144.776%0.75580%0.795SS**  trans-80.3111.1173.9-175.40000109.6A170 V174A170-S172 PolarHBondContact O-N 2.97Å; S172-V174 PolarHBondContact O-N 2.75Å
173F36.4Very low37.8Very low189 Ų189141.8 Ų141.883%0.82979%0.792SS**  trans-75.3110.9166.6-78.5-93.8000109.1F171 S175F171-F173 PolarHBondContact O-N 3.2Å; F173-S175 PolarHBondContact O-N 2.99Å
174V38.8Very low37.6Very low126 Ų126140.4 Ų140.476%0.76480%0.795SS**  trans-86.895.5168.4-179.90000108S172 P176S172-V174 PolarHBondContact O-N 2.75Å; V174-P176 WeakPolarHBondContact O-CD 3.38Å
175S33.9Very low38.1Very low86 Ų86139 Ų13960%0.60179%0.794SS**  trans-61.7129.6175.5-57.30000111.2F173 T177F173-S175 PolarHBondContact O-N 2.99Å; S175-T177 PolarHBondContact O-N 3.32Å; S175-T177 PolarHBondContact O-OG1 3.01Å
176P41.2Very low38Very low132 Ų132138.4 Ų138.486%0.85779%0.789SS**  trans-70.187.3174.3-20.634.3000112.1V174 N178V174-P176 WeakPolarHBondContact O-CD 3.38Å; P176-N178 PolarHBondContact O-N 2.74Å; P176-N178 VanDerWaalsContact O-N 3.12Å
177T30.8Very low37.9Very low123 Ų123139.3 Ų139.376%0.75579%0.791SS**  trans-80.391.1178.7-50.60000111.2S175S175-T177 PolarHBondContact O-N 3.32Å; S175-T177 PolarHBondContact O-OG1 3.01Å
178N42.1Very low38.2Very low161 Ų161136.2 Ų136.286%0.86179%0.788SS**  trans-148.4106.6162.9-98-51.8000110.8P176P176-N178 PolarHBondContact O-N 2.74Å; P176-N178 VanDerWaalsContact O-N 3.12Å
179Q31.8Very low37.8Very low192 Ų192137.4 Ų137.490%0.89780%0.799SS**  trans-83.8123.1171.6-70.2-166.875.800110.1
180K39.3Very low37.6Very low199 Ų199134.9 Ų134.987%0.86579%0.794SS**  trans-146.692.9161.8-161.8156.7-173.6173.80110.8P182K180-P182 WeakPolarHBondContact O-CD 3.18Å
181T34.4Very low38Very low124 Ų124135.8 Ų135.876%0.76179%0.789SS**PPolyproline II helixtrans-57.9120.6-179.5-47.10000111.2
182P45.5Very low38.2Very low105 Ų105131.5 Ų131.568%0.68278%0.778SS**PPolyproline II helixtrans-69.6147.9170.5-17.332.1000111.2K180K180-P182 WeakPolarHBondContact O-CD 3.18Å
183P39.8Very low39.1Very low118 Ų118130.1 Ų130.177%0.76676%0.764SS**PPolyproline II helixtrans-67.5146.2173.129.5-34.4000111.1P185P183-P185 VanDerWaalsContact O-CD 3.24Å; P183-P185 WeakPolarHBondContact O-CD 3.22Å
184V34.5Very low40.3Very low139 Ų139127.9 Ų127.984%0.84276%0.76SS**PPolyproline II helixtrans-60.9118-176.31790000111.4A186V184-A186 PolarHBondContact O-N 3.5Å
185P45.7Very low41Very low119 Ų119126.1 Ų126.177%0.77374%0.744SS**PPolyproline II helixtrans-72.5126.1175.6-17.432.7000111.4P183 K187P183-P185 VanDerWaalsContact O-CD 3.24Å; P183-P185 WeakPolarHBondContact O-CD 3.22Å; P185-K187 PolarHBondContact O-N 3.07Å
186A35.2Very low41.8Very low90 Ų90126.9 Ų126.974%0.74474%0.738SS**  trans-78.393.9-17900000112.2V184 V188V184-A186 PolarHBondContact O-N 3.5Å; A186-V188 PolarHBondContact O-N 3.13Å
187K34.7Very low42.5Very low210 Ų210124.9 Ų124.991%0.91372%0.716SS**  trans42.866.1150.4-160.5-178-177.2-179.40116.1P185P185-K187 PolarHBondContact O-N 3.07Å
188V42.1Very low43.8Very low138 Ų138124.3 Ų124.384%0.83670%0.704SS**  trans-112.9136.4164.3-178.20000108.9A186 G190A186-V188 PolarHBondContact O-N 3.13Å; V188-G190 PolarHBondContact O-N 3.33Å
189S34.3Very low45Very low129 Ų129119.7 Ų119.790%0.90268%0.679SS**  trans-75.2120.1-177.3-57.70000112
190G37.4Very low46.6Very low59 Ų59119.2 Ų119.261%0.60867%0.669SS**SBendtrans164.9130.2172.600000112.2V188 T192V188-G190 PolarHBondContact O-N 3.33Å; G190-T192 PolarHBondContact O-N 2.95Å
191T44.6Very low48.1Very low122 Ų122117.2 Ų117.275%0.74866%0.656SS**  trans7.898.1165.553.60000117.3
192T44.3Very low49.8Very low93 Ų93117.9 Ų117.957%0.57165%0.654SS**  trans-81117.617052.50000111G190 H217G190-T192 PolarHBondContact O-N 2.95Å; T192-H217 PolarHBondContact O-N 3.41Å
193V55.2Low50.6Low79 Ų79116.4 Ų116.448%0.47964%0.641SS.*EExtended strand (participates in β ladder)trans-68.2132.4159.3177.60000107.9T214 F216V193-T214 HydrophobicContact CG1-CG2 3.73Å; V193-T214 HydrophobicContact CG2-CG2 4.46Å; V193-F216 HydrophobicContact CG2-CD1 3.9Å; V193-F216 HydrophobicContact CG2-CE1 3.66Å
194L60.1Low51.9Low142 Ų142118 Ų11874%0.74365%0.648SS**EExtended strand (participates in β ladder)trans-101.1-44.2-174.9-174.165000113.3Y215L194-Y215 PolarHBondContact N-O 3.18Å
195E53.7Low53.1Low89 Ų89119.8 Ų119.842%0.41665%0.646SS.*EExtended strand (participates in β ladder)trans-154.7143.2-175.6-160.1173.9-155.800109.2F197 Y215E195-F197 HydrophobicContact CB-CE2 4.35Å; E195-F197 VanDerWaalsContact CD-CZ 3.4Å; E195-F197 HydrophobicContact CG-CD2 4.31Å; E195-F197 HydrophobicContact CG-CE2 3.52Å; E195-F197 HydrophobicContact CG-CZ 3.89Å; E195-F197 WeakPolarHBondContact OE1-CZ 3.36Å; E195-Y215 HydrophobicContact CB-CD2 4.26Å; E195-Y215 PolarHBondContact O-N 2.94Å
196E51.5Low53.5Low101 Ų101116.7 Ų116.747%0.47264%0.637SS.*EExtended strand (participates in β ladder)trans-138.2127.1-178.1-179.7171.2-115.800110.4H198 T212 A213 T214E196-H198 IonicContact OE2-CE1 2.9Å; E196-H198 PolarHBondContact OE2-CE1 3.2Å; E196-T212 HydrophobicContact CG-CG2 3.93Å; E196-A213 WeakPolarHBondContact CA-O 3.26Å; E196-T214 HydrophobicContact CB-CG2 4.48Å; E196-T214 HydrophobicContact CG-CG2 4.46Å; E196-T214 PolarHBondContact OE1-OG1 3.21Å
197F55.3Low54.3Low91 Ų91114.7 Ų114.740%0.39962%0.62SS.*EExtended strand (participates in β ladder)trans-114129.2-178.6-69.1-91.7000110.8E195 T212 A213 Y215E195-F197 HydrophobicContact CB-CE2 4.35Å; E195-F197 VanDerWaalsContact CD-CZ 3.4Å; E195-F197 HydrophobicContact CG-CD2 4.31Å; E195-F197 HydrophobicContact CG-CE2 3.52Å; E195-F197 HydrophobicContact CG-CZ 3.89Å; E195-F197 WeakPolarHBondContact OE1-CZ 3.36Å; F197-T212 VanDerWaalsContact O-CA 3.3Å; F197-T212 WeakPolarHBondContact O-CA 3.28Å; F197-A213 PolarHBondContact N-O 3.18Å; F197-A213 PolarHBondContact O-N 2.8Å; F197-Y215 HydrophobicContact CD2-CD2 4.33Å; F197-Y215 AromaticContact CD2-CE2 3.72Å; F197-Y215 HydrophobicContact CD2-CE2 3.72Å; F197-Y215 HydrophobicContact CE2-CD2 4.29Å; F197-Y215 AromaticContact CE2-CE2 3.77Å; F197-Y215 HydrophobicContact CE2-CE2 3.77Å
198H59Low55.5Low111 Ų111107.7 Ų107.751%0.51460%0.598SS.*EExtended strand (participates in β ladder)trans-112.3125.9175.9-67.578.3000110.2E196E196-H198 IonicContact OE2-CE1 2.9Å; E196-H198 PolarHBondContact OE2-CE1 3.2Å
199I67.6Low56.1Low64 Ų64104.9 Ų104.933%0.32858%0.575SS.*EExtended strand (participates in β ladder)trans-127.1116.9175.8-57.6178.1000108.8R201 E211I199-R201 HydrophobicContact CG2-CG 3.98Å; I199-E211 HydrophobicContact CB-CB 4.37Å; I199-E211 PolarHBondContact N-O 2.97Å; I199-E211 PolarHBondContact O-N 2.89Å
200R64.6Low57.5Low181 Ų181102 Ų10268%0.68355%0.547SS*.EExtended strand (participates in β ladder)trans-100.2132.4167.5-75.7-171.8-66-79.7-0.7111E209 E210R200-E209 CarbonylContact C-O 3.58Å; R200-E209 WeakPolarHBondContact CA-O 3.4Å; R200-E210 WeakPolarHBondContact CD-OE1 3.31Å; R200-E210 HydrophobicContact CG-CB 4.09Å; R200-E210 VanDerWaalsContact CG-CD 3.4Å; R200-E210 HydrophobicContact CG-CG 3.77Å; R200-E210 WeakPolarHBondContact CG-OE1 3.44Å; R200-E210 IonicContact CZ-OE1 3.18Å; R200-E210 IonicContact NE-OE1 2.66Å; R200-E210 IonicContact NH1-OE1 2.67Å; R200-E210 PolarHBondContact NH1-OE1 3.2Å
201R69.9Low58.6Low158 Ų158103.1 Ų103.160%0.59654%0.537SS*.EExtended strand (participates in β ladder)trans-122.7150.9175.2-49.6-174.174.792.6-0109.5I199 E209I199-R201 HydrophobicContact CG2-CG 3.98Å; R201-E209 HydrophobicContact CB-CB 4.45Å; R201-E209 PolarHBondContact N-O 3.22Å; R201-E209 PolarHBondContact O-N 3.46Å
202L70Confident59.2Low137 Ų13798 Ų9872%0.71751%0.506SS*.EExtended strand (participates in β ladder)trans-117.2117172-177.368.1000107.7
203D62.1Low59.7Low75 Ų7594.5 Ų94.540%0.40149%0.486SS..  trans-71.1156.8174.5175.250.1000111.5H205 G206 A207D203-H205 PolarHBondContact O-N 3.4Å; D203-H205 WeakPolarHBondContact OD2-CA 3.29Å; D203-H205 WeakPolarHBondContact OD2-CB 3.41Å; D203-H205 PolarHBondContact OD2-N 2.93Å; D203-G206 PolarHBondContact O-N 3.03Å; D203-A207 HydrophobicContact CB-CB 4.35Å; D203-A207 PolarHBondContact N-O 2.99Å
204V67.4Low59.8Low151 Ų15191.2 Ų91.292%0.91547%0.466SS*.THydrogen-bonded Turntrans-56.2-28.8174.9-179.80000112G206V204-G206 VanDerWaalsContact C-N 3.3Å
205H59.5Low59.3Low176 Ų17687.4 Ų87.482%0.81544%0.442SS*.THydrogen-bonded Turntrans-85.53.5176.6-146.1-57.7000113.9D203D203-H205 PolarHBondContact O-N 3.4Å; D203-H205 WeakPolarHBondContact OD2-CA 3.29Å; D203-H205 WeakPolarHBondContact OD2-CB 3.41Å; D203-H205 PolarHBondContact OD2-N 2.93Å
206G54.4Low59.3Low55 Ų5587.2 Ų87.257%0.56744%0.44SS*.SBendtrans84.612175.500000115.2D203 V204D203-G206 PolarHBondContact O-N 3.03Å; V204-G206 VanDerWaalsContact C-N 3.3Å
207A52.2Low59.2Low47 Ų4786.7 Ų86.739%0.38844%0.438SS..  trans-79.7135.3171.700000111D203D203-A207 HydrophobicContact CB-CB 4.35Å; D203-A207 PolarHBondContact N-O 2.99Å
208S59.5Low58.7Low64 Ų6485.5 Ų85.545%0.44844%0.438SS..EExtended strand (participates in β ladder)trans-87.6126.3168.335.20000111S307S208-S307 PolarHBondContact O-OG 3.15Å; S208-S307 PolarHBondContact OG-OG 2.99Å
209E56Low58.1Low79 Ų7984.5 Ų84.537%0.36944%0.439SS..EExtended strand (participates in β ladder)trans-109.5134.2170.6-59.1-173.4125.900108.6R200 R201 H306R200-E209 CarbonylContact C-O 3.58Å; R200-E209 WeakPolarHBondContact CA-O 3.4Å; R201-E209 HydrophobicContact CB-CB 4.45Å; R201-E209 PolarHBondContact N-O 3.22Å; R201-E209 PolarHBondContact O-N 3.46Å; E209-H306 IonicContact OE1-CE1 2.62Å; E209-H306 IonicContact OE1-ND1 3.02Å
210E62.9Low56.9Low68 Ų6885.5 Ų85.532%0.31846%0.458SS..EExtended strand (participates in β ladder)trans-124.6118.8175.7-171.1144.6-140.400109R200 M305R200-E210 WeakPolarHBondContact CD-OE1 3.31Å; R200-E210 HydrophobicContact CG-CB 4.09Å; R200-E210 VanDerWaalsContact CG-CD 3.4Å; R200-E210 HydrophobicContact CG-CG 3.77Å; R200-E210 WeakPolarHBondContact CG-OE1 3.44Å; R200-E210 IonicContact CZ-OE1 3.18Å; R200-E210 IonicContact NE-OE1 2.66Å; R200-E210 IonicContact NH1-OE1 2.67Å; R200-E210 PolarHBondContact NH1-OE1 3.2Å; E210-M305 PolarHBondContact N-O 3.48Å; E210-M305 VanDerWaalsContact N-O 3.12Å; E210-M305 WeakPolarHBondContact O-CA 3.47Å; E210-M305 WeakPolarHBondContact O-CB 3.36Å; E210-M305 PolarHBondContact O-N 3.49Å
211E60.6Low56.1Low83 Ų8384.8 Ų84.839%0.38846%0.462SS..EExtended strand (participates in β ladder)trans-112.7122.7-177.7179.1-176.9-172.400108I199I199-E211 HydrophobicContact CB-CB 4.37Å; I199-E211 PolarHBondContact N-O 2.97Å; I199-E211 PolarHBondContact O-N 2.89Å
212T57.8Low54.5Low15 Ų1584.6 Ų84.69%0.09247%0.472CS..EExtended strand (participates in β ladder)trans-120.5127.2177-550000110E196 F197 I303E196-T212 HydrophobicContact CG-CG2 3.93Å; F197-T212 VanDerWaalsContact O-CA 3.3Å; F197-T212 WeakPolarHBondContact O-CA 3.28Å; T212-I303 PolarHBondContact N-O 2.89Å; T212-I303 CarbonylContact O-C 3.58Å; T212-I303 WeakPolarHBondContact O-CA 3.26Å; T212-I303 WeakPolarHBondContact O-CB 3.36Å; T212-I303 PolarHBondContact O-N 2.96Å
213A53.8Low52.5Low19 Ų1982.8 Ų82.816%0.15747%0.471CS..EExtended strand (participates in β ladder)trans-118.2116.4176.300000109.5E196 F197E196-A213 WeakPolarHBondContact CA-O 3.26Å; F197-A213 PolarHBondContact N-O 3.18Å; F197-A213 PolarHBondContact O-N 2.8Å
214T57.9Low51.5Low9 Ų984.4 Ų84.46%0.05549%0.486CS..EExtended strand (participates in β ladder)trans-119.6120.5-172.3-46.20000109.4V193 E196 F216V193-T214 HydrophobicContact CG1-CG2 3.73Å; V193-T214 HydrophobicContact CG2-CG2 4.46Å; E196-T214 HydrophobicContact CB-CG2 4.48Å; E196-T214 HydrophobicContact CG-CG2 4.46Å; E196-T214 PolarHBondContact OE1-OG1 3.21Å; T214-F216 HydrophobicContact CG2-CE1 4.41Å; T214-F216 HydrophobicContact CG2-CE2 3.95Å; T214-F216 HydrophobicContact CG2-CZ 3.8Å; T214-F216 WeakPolarHBondContact O-CD2 3.22Å
215Y50.7Low49.9Very low62 Ų6285.2 Ų85.224%0.24348%0.484CS..EExtended strand (participates in β ladder)trans-99116.9-174.9-61-63.7000112.1L194 E195 F197 Y298L194-Y215 PolarHBondContact N-O 3.18Å; E195-Y215 HydrophobicContact CB-CD2 4.26Å; E195-Y215 PolarHBondContact O-N 2.94Å; F197-Y215 HydrophobicContact CD2-CD2 4.33Å; F197-Y215 AromaticContact CD2-CE2 3.72Å; F197-Y215 HydrophobicContact CD2-CE2 3.72Å; F197-Y215 HydrophobicContact CE2-CD2 4.29Å; F197-Y215 AromaticContact CE2-CE2 3.77Å; F197-Y215 HydrophobicContact CE2-CE2 3.77Å; Y215-Y298 AromaticContact CD1-CE2 3.96Å; Y215-Y298 HydrophobicContact CD1-CE2 3.96Å; Y215-Y298 AromaticContact CD1-CZ 3.99Å; Y215-Y298 WeakPolarHBondContact CD1-OH 3.16Å; Y215-Y298 HydrophobicContact CE1-CE2 4.48Å; Y215-Y298 WeakPolarHBondContact CE1-OH 3.4Å
216F51.8Low49Very low86 Ų8681.6 Ų81.638%0.37748%0.476SS..EExtended strand (participates in β ladder)trans-100.6139.7180-61.2-86000111.6V193 T214 V301V193-F216 HydrophobicContact CG2-CD1 3.9Å; V193-F216 HydrophobicContact CG2-CE1 3.66Å; T214-F216 HydrophobicContact CG2-CE1 4.41Å; T214-F216 HydrophobicContact CG2-CE2 3.95Å; T214-F216 HydrophobicContact CG2-CZ 3.8Å; T214-F216 WeakPolarHBondContact O-CD2 3.22Å; F216-V301 HydrophobicContact CD2-CB 4.34Å; F216-V301 HydrophobicContact CD2-CG2 4.08Å; F216-V301 HydrophobicContact CE2-CB 4.3Å; F216-V301 HydrophobicContact CE2-CG2 4.36Å
217H49.9Very low48.1Very low90 Ų9083.7 Ų83.742%0.41749%0.488SS..  trans-103110.8173.3-174.1-70.3000111.5T192T192-H217 PolarHBondContact O-N 3.41Å
218T45.2Very low47.2Very low66 Ų6693.5 Ų93.541%0.40552%0.515SS..  trans-95107175.254.10000111.5S297T218-S297 PolarHBondContact OG1-O 3.21Å
219T45.8Very low46Very low89 Ų89100.1 Ų100.155%0.54654%0.536SS..PPolyproline II helixtrans-79.8119.916346.30000109.6H221T219-H221 PolarHBondContact O-CD2 2.97Å; T219-H221 PolarHBondContact O-N 3.25Å
220A42.8Very low44.8Very low86 Ų8699.7 Ų99.771%0.71155%0.553SS**PPolyproline II helixtrans-61.1126.4165.800000109.1
221H47.8Very low43.3Very low166 Ų166101.6 Ų101.677%0.76958%0.58SS**PPolyproline II helixtrans-82.5122-170.9-74.8-92.4000112.1T219T219-H221 PolarHBondContact O-CD2 2.97Å; T219-H221 PolarHBondContact O-N 3.25Å
222D36.3Very low41.9Very low154 Ų154103.4 Ų103.482%0.82460%0.602SS**PPolyproline II helixtrans-80.2141.2150.1-146.5-20000108.3P224D222-P224 WeakPolarHBondContact O-CD 3.28Å
223S29.3Very low40.6Very low98 Ų98108.4 Ų108.469%0.68563%0.633SS**PPolyproline II helixtrans-86.4127.3-15764.60000115
224P40.7Very low39.8Very low110 Ų110115.8 Ų115.871%0.71467%0.669SS**  trans-108.499.9164.833.9-20.2000110.6D222 P226D222-P224 WeakPolarHBondContact O-CD 3.28Å; P224-P226 VanDerWaalsContact O-CD 3.26Å; P224-P226 WeakPolarHBondContact O-CD 3.27Å
225L33.3Very low38.5Very low168 Ų168120.4 Ų120.488%0.8870%0.697SS**  trans-65.3116.9172.4-75.9164.6000110.7A227L225-A227 PolarHBondContact O-N 3.06Å
226P41.4Very low37.6Very low100 Ų100127.5 Ų127.565%0.64973%0.729SS**  trans-84.5105.2172.932.7-28.1000109.2P224 W228P224-P226 VanDerWaalsContact O-CD 3.26Å; P224-P226 WeakPolarHBondContact O-CD 3.27Å; P226-W228 PolarHBondContact O-N 3.24Å
227A34.2Very low36.6Very low99 Ų99128 Ų12882%0.81874%0.744SS**  trans-68.297.4179.400000111.5L225 K229L225-A227 PolarHBondContact O-N 3.06Å; A227-K229 PolarHBondContact O-N 3.07Å
228W34.2Very low35.9Very low252 Ų252129.9 Ų129.996%0.95576%0.763SS**  trans-65.491.6171.2-74.6-13.3000111.1P226P226-W228 PolarHBondContact O-N 3.24Å
229K33.8Very low35.2Very low203 Ų203132.5 Ų132.588%0.88379%0.785SS**  trans-96.694168.8-152.8176-171.3-1770109.5A227A227-K229 PolarHBondContact O-N 3.07Å
230G31.8Very low34.8Very low71 Ų71132 Ų13273%0.73279%0.789SS**  trans-55.9149.1175.400000112.2
231A29.5Very low34.5Very low107 Ų107136.2 Ų136.288%0.88479%0.794SS**  trans-67.6139.1-173.500000112.6
232S33.1Very low33.9Very low122 Ų122136 Ų13685%0.85380%0.798SS**  trans-131.5131.8156.2-174.60000108.1
233T30.4Very low34.2Very low119 Ų119134.7 Ų134.773%0.7380%0.798SS**  trans-85.9115.6-162.9-54.50000111.8
234L35.1Very low34.7Very low175 Ų175133.1 Ų133.192%0.91680%0.797SS**  trans-134.1133.6152.5-85.4179.6000110.6
235V31.8Very low34.5Very low105 Ų105133.5 Ų133.564%0.63680%0.803SS**  trans-95.3132.2-174.8175.10000109.6
236F32.5Very low34.7Very low211 Ų211130 Ų13093%0.92579%0.792SS**  trans-146.7136.3146.8-105-74.1000110.5
237S30.2Very low34.6Very low98 Ų98133 Ų13369%0.68580%0.802SS**  trans-100.1152.8-168.9-51.40000112.8
238P34.2Very low34.7Very low128 Ų128134.2 Ų134.283%0.83180%0.803SS**  trans-89.1134.2171.133.8-31.6000112.3
239S31.9Very low34.9Very low122 Ų122125.5 Ų125.585%0.85379%0.791SS**  trans175.5159.2143.1-160.40000114.2
240A35.8Very low35.1Very low77 Ų77120.7 Ų120.764%0.63678%0.783SS**  trans89.8126.8145.200000123.7
241Q36.9Very low35.4Very low176 Ų176124.2 Ų124.282%0.82279%0.785SS**  trans66119.3149.1-65.9167.6-41.200119.7
242L36.7Very low36Very low161 Ų161125.1 Ų125.184%0.84378%0.779SS**  cis77.9150.249.4-68.7173000114.5
243P41.1Very low36.3Very low126 Ų126123 Ų12382%0.81877%0.77SS**  cis-140.3-177-1739.2-19.9000116.5
244G40Very low36.8Very low65 Ų65123.5 Ų123.567%0.6777%0.768SS**  trans122132.6157.900000115.3
245S37.6Very low37.2Very low119 Ų119122.3 Ų122.383%0.83276%0.757SS**  cis7913435.178.40000115.1
246S37.3Very low37.6Very low95 Ų95123 Ų12366%0.66476%0.761SS**  cis-175.9-177.5-9.4480000109.3
247L39Very low37.8Very low162 Ų162124.5 Ų124.585%0.84876%0.761SS**  trans69.9163.7174.4-80.473.5000116.4
248C35.9Very low38Very low125 Ų125123 Ų12385%0.84576%0.761SS**  cis-170.4159.7-27.8-175.60000110
249G39.4Very low38.2Very low68 Ų68125.4 Ų125.470%0.70177%0.766SS**  trans94.7125.3167.200000115.2
250S37.5Very low38.4Very low102 Ų102124.3 Ų124.371%0.71376%0.764SS**  cis120.1146.22-163.80000112.6
251N38.4Very low39Very low145 Ų145126.6 Ų126.678%0.77577%0.773SS**  trans81.8145.1168.9-44.1-27000115.6
252V40.5Very low38.9Very low126 Ų126126.9 Ų126.976%0.76477%0.774SS**  cis-165.4157.5-81170000110.2
253A40.6Very low38.9Very low79 Ų79123.1 Ų123.165%0.65377%0.766SS**  trans65151158.700000121.1
254D41Very low38.8Very low129 Ų129123.8 Ų123.869%0.6976%0.758SS**  cis-164.3166.1-28-120.2-45.6000115.5
255H43.9Very low38.9Very low149 Ų149128.5 Ų128.569%0.6976%0.76SS**  trans67109.4144.4-72.314.8000123.7
256T40Very low39.1Very low119 Ų119131.7 Ų131.773%0.7376%0.759SS**  trans69.2125.2130.454.50000121.6
257R35.2Very low39.4Very low243 Ų243133.3 Ų133.392%0.91777%0.765SS**  73.4130.682.7-163.3-166.7-169.2176.54.2113.4
258G34.6Very low39.5Very low66 Ų66130.5 Ų130.568%0.6876%0.759SS**  cis154.8152.6-7.200000112.9
259L39.4Very low39.5Very low179 Ų179130.4 Ų130.494%0.93775%0.754SS**  trans71.9141.5167-60.3173.5000121.5
260A36.3Very low39.4Very low99 Ų99131.8 Ų131.882%0.81875%0.754SS**  trans83.4144.715100000121.1
261P47.2Very low39.4Very low126 Ų126132.2 Ų132.282%0.81876%0.757SS**  trans-119.4161.6-177.142.3-31.3000115.5
262E36Very low39.1Very low182 Ų182130 Ų13085%0.8576%0.758SS**  trans-149.6-171.1150.3-137.6-162.594.900112.1
263A35.9Very low39.3Very low82 Ų82132.6 Ų132.668%0.67877%0.767SS**  trans-131.9-151.7-14500000115.8
264Q40Very low38.9Very low139 Ų139136 Ų13665%0.6577%0.774SS**  trans90.1139177-52.3-171.836.100115
265K41.9Very low39Very low164 Ų164134.8 Ų134.871%0.71377%0.773SS**  cis-161144.48.3-129.1163.2-176.5147.90112.6
266K42.3Very low38.6Very low187 Ų187138.2 Ų138.281%0.81378%0.78SS**  trans62.9121.1134.2-158.7171.8179.61800117.2
267V42.7Very low38.6Very low129 Ų129140.3 Ų140.378%0.78278%0.782SS**  cis-149.5-17223.8-117.90000109.5
268S40.2Very low38.5Very low103 Ų103135.8 Ų135.872%0.7278%0.776SS**  cis-155.8-176.213-141.10000115.6
269T37.1Very low38.4Very low122 Ų122138.6 Ų138.675%0.74878%0.78SS**  trans-75163.3170.145.90000115.6
270S36.5Very low38.2Very low98 Ų98141.3 Ų141.369%0.68578%0.777SS**  cis-174.7175.2-10.650.80000112.1
271S37.2Very low38.3Very low111 Ų111142.4 Ų142.478%0.77677%0.774SS**  trans60.9117.5171.853.90000116.8
272A33.2Very low37.9Very low98 Ų98141.1 Ų141.181%0.8177%0.768SS**  cis89.9106.528.500000115.6
273L44.7Very low37.9Very low181 Ų181138.7 Ų138.795%0.94877%0.768SS**  trans-166.1161.4141.3-100173.5000108.7
274N32.6Very low37.8Very low150 Ų150139.9 Ų139.980%0.80277%0.771SS**  trans-153.2169.1-169-139.3-11000107.5
275P41.8Very low37.8Very low104 Ų104138.8 Ų138.868%0.67578%0.776SS**  cis-130.4-164.7-15.941-23.2000113.5
276R35.8Very low37.3Very low220 Ų220135.8 Ų135.883%0.8378%0.782SS**  trans101.9151.5163.3-69.8-92.2-177.3173.61.3119.3
277E39.4Very low36.8Very low163 Ų163132.2 Ų132.276%0.76278%0.781SS**  trans74.169.2159.9-76.2149.1-124.800120.6
278D33.5Very low36.3Very low149 Ų149129.7 Ų129.780%0.79778%0.781SS**  76.6136.4117.4-84.8-60.3000125.6
279V33.9Very low35.9Very low125 Ų125128.7 Ų128.776%0.75878%0.778SS**  trans53.792.8158.4-1700000119.7
280R34.3Very low35.7Very low236 Ų236128.2 Ų128.289%0.89178%0.78SS**  -83.1144.9129.6-72.4-76.9-157.9148.16.5107.5
281T38.4Very low35.7Very low122 Ų122131.4 Ų131.475%0.74879%0.789SS**  -169.8162.979-65.40000111.1
282S38Very low35.8Very low98 Ų98137.2 Ų137.269%0.68579%0.794SS**  trans-56.2159.6-177.640.60000116.4
283P36.1Very low36.1Very low131 Ų131137.3 Ų137.385%0.85179%0.788SS**  trans-75.7144.1-164.430.4-37.2000114.7
284S34.6Very low35.9Very low107 Ų107133.7 Ų133.775%0.74878%0.776SS**  trans-111.4148.5164.4-65.20000109.9A286S284-A286 PolarHBondContact O-N 3.05Å
285P39.1Very low36.5Very low116 Ų116132.1 Ų132.175%0.75378%0.777SS**  trans-66.9123.8179.127.6-34000110.8S287P285-S287 VanDerWaalsContact C-N 3.31Å; P285-S287 PolarHBondContact O-N 2.66Å
286A31.6Very low36.7Very low102 Ų102130.8 Ų130.884%0.84377%0.774SS**  trans-79.174.6-17800000111.8S284 G288S284-A286 PolarHBondContact O-N 3.05Å; A286-G288 PolarHBondContact O-N 2.9Å
287S33.2Very low37.1Very low112 Ų112123.9 Ų123.978%0.78376%0.76SS**  trans-70.166.4168.3-66.30000111.1P285 A289P285-S287 VanDerWaalsContact C-N 3.31Å; P285-S287 PolarHBondContact O-N 2.66Å; S287-A289 PolarHBondContact O-N 3.35Å
288G30.3Very low37.7Very low76 Ų76122.9 Ų122.978%0.78475%0.75SS**  trans-71.734.2-17800000115.2A286 S290A286-G288 PolarHBondContact O-N 2.9Å; G288-S290 PolarHBondContact O-N 3.32Å
289A31.8Very low39Very low81 Ų81120 Ų12067%0.66973%0.734SS**  trans-75.887.8173.500000109.4S287 L291S287-A289 PolarHBondContact O-N 3.35Å; A289-L291 VanDerWaalsContact C-N 3.32Å; A289-L291 PolarHBondContact O-N 3.39Å
290S33.8Very low39.8Very low112 Ų112115.4 Ų115.478%0.78371%0.706SS**  trans-66.893.8170.4-171.60000109.2G288 R292G288-S290 PolarHBondContact O-N 3.32Å; S290-R292 PolarHBondContact O-N 3.31Å
291L36.2Very low40.6Very low166 Ų166106.2 Ų106.287%0.86968%0.676SS**  trans-67.580173.4-71.7171.2000109.7A289 S293A289-L291 VanDerWaalsContact C-N 3.32Å; A289-L291 PolarHBondContact O-N 3.39Å; L291-S293 VanDerWaalsContact C-N 3.31Å; L291-S293 PolarHBondContact O-N 3.23Å
292R39.3Very low41.8Very low232 Ų232107.4 Ų107.488%0.87567%0.667SS**  trans-59.5100.9154.9-89.4-169.3169.9-162-2.3107S290S290-R292 PolarHBondContact O-N 3.31Å
293S39.9Very low43Very low100 Ų100105.1 Ų105.170%0.69965%0.647SS**PPolyproline II helixtrans-47.9131.3161.751.90000108.6L291 S295L291-S293 VanDerWaalsContact C-N 3.31Å; L291-S293 PolarHBondContact O-N 3.23Å; S293-S295 PolarHBondContact O-N 3.2Å
294P41Very low44.4Very low105 Ų105102.2 Ų102.268%0.68263%0.627SS**PPolyproline II helixtrans-59.3127.4-178.824.4-33.3000109.4A296P294-A296 PolarHBondContact O-N 3.3Å
295S44.9Very low45.4Very low118 Ų118101.8 Ų101.883%0.82561%0.614SS**PPolyproline II helixtrans-56.4124.8170.1-66.40000108.3S293 S297S293-S295 PolarHBondContact O-N 3.2Å; S295-S297 PolarHBondContact O-N 2.96Å
296A46Very low45.9Very low75 Ų75101.8 Ų101.862%0.6260%0.604SS**  trans-60.7110.1179.500000109.6P294 Y298P294-A296 PolarHBondContact O-N 3.3Å; A296-Y298 PolarHBondContact O-N 3.1Å
297S44.6Very low46.9Very low75 Ų75100 Ų10052%0.52459%0.585SS.*  trans-7294.4179.753.60000109.7T218 S295 I299T218-S297 PolarHBondContact OG1-O 3.21Å; S295-S297 PolarHBondContact O-N 2.96Å; S297-I299 PolarHBondContact O-N 3.38Å
298Y51.8Low48.1Very low142 Ų142102.5 Ų102.556%0.55759%0.588SS**  trans-76113.1177.5171.1-98.9000110.4Y215 A296 P300Y215-Y298 AromaticContact CD1-CE2 3.96Å; Y215-Y298 HydrophobicContact CD1-CE2 3.96Å; Y215-Y298 AromaticContact CD1-CZ 3.99Å; Y215-Y298 WeakPolarHBondContact CD1-OH 3.16Å; Y215-Y298 HydrophobicContact CE1-CE2 4.48Å; Y215-Y298 WeakPolarHBondContact CE1-OH 3.4Å; A296-Y298 PolarHBondContact O-N 3.1Å; Y298-P300 HydrophobicContact CD1-CG 4.46Å; Y298-P300 HydrophobicContact CE1-CB 3.77Å; Y298-P300 HydrophobicContact CE1-CG 4.07Å; Y298-P300 WeakPolarHBondContact O-CD 3.34Å
299I60Low49.1Very low90 Ų90103.8 Ų103.846%0.46259%0.586SS.*  trans-105.7104.2176.7-57.9175.9000108.4S297 V301S297-I299 PolarHBondContact O-N 3.38Å; I299-V301 HydrophobicContact CG2-CG2 4.45Å; I299-V301 PolarHBondContact O-N 2.92Å; I299-V301 VanDerWaalsContact O-N 3.13Å
300P50.3Low50.4Low28 Ų28105.7 Ų105.718%0.18259%0.591CS.*  trans-79.494.3-179.230.7-33.4000111.5Y298Y298-P300 HydrophobicContact CD1-CG 4.46Å; Y298-P300 HydrophobicContact CE1-CB 3.77Å; Y298-P300 HydrophobicContact CE1-CG 4.07Å; Y298-P300 WeakPolarHBondContact O-CD 3.34Å
301V52.1Low50.9Low43 Ų43105.2 Ų105.226%0.26159%0.588SS.*  trans-73.8136.4173.1-175.30000110.3F216 I299 I303F216-V301 HydrophobicContact CD2-CB 4.34Å; F216-V301 HydrophobicContact CD2-CG2 4.08Å; F216-V301 HydrophobicContact CE2-CB 4.3Å; F216-V301 HydrophobicContact CE2-CG2 4.36Å; I299-V301 HydrophobicContact CG2-CG2 4.45Å; I299-V301 PolarHBondContact O-N 2.92Å; I299-V301 VanDerWaalsContact O-N 3.13Å; V301-I303 HydrophobicContact CG1-CG1 4.3Å
302R63.8Low51.7Low146 Ų146103 Ų10355%0.55158%0.583SS**EExtended strand (participates in β ladder)trans-127.5129.8-178.4-48.6175.7-160.2-90.8-0.1108.6
303I62.6Low52.5Low51 Ų51100.6 Ų100.626%0.26258%0.579SS.*EExtended strand (participates in β ladder)trans-123.9106-178.1-54.2179000108.8T212 V301 M305T212-I303 PolarHBondContact N-O 2.89Å; T212-I303 CarbonylContact O-C 3.58Å; T212-I303 WeakPolarHBondContact O-CA 3.26Å; T212-I303 WeakPolarHBondContact O-CB 3.36Å; T212-I303 PolarHBondContact O-N 2.96Å; V301-I303 HydrophobicContact CG1-CG1 4.3Å; I303-M305 HydrophobicContact CG2-CG 4.17Å
304V64.6Low53Low70 Ų70101.6 Ų101.642%0.42458%0.583SS.*EExtended strand (participates in β ladder)trans-100.8120.9179.2-174.90000109.3
305M56.3Low53.3Low98 Ų98104.7 Ų104.748%0.48359%0.593SS.*EExtended strand (participates in β ladder)trans-114.2109.3-177.9-61.1-177.469.600110.9E210 I303E210-M305 PolarHBondContact N-O 3.48Å; E210-M305 VanDerWaalsContact N-O 3.12Å; E210-M305 WeakPolarHBondContact O-CA 3.47Å; E210-M305 WeakPolarHBondContact O-CB 3.36Å; E210-M305 PolarHBondContact O-N 3.49Å; I303-M305 HydrophobicContact CG2-CG 4.17Å
306H49.3Very low53.4Low116 Ų116105.3 Ų105.354%0.53759%0.592SS.*EExtended strand (participates in β ladder)trans-93.8113.1174.8-61-72.2000110.6E209 L308E209-H306 IonicContact OE1-CE1 2.62Å; E209-H306 IonicContact OE1-ND1 3.02Å; H306-L308 PolarHBondContact O-N 2.82Å
307S53.4Low53Low65 Ų65106.4 Ų106.446%0.45560%0.595SS.*  trans-74.797.2173.7660000110.7S208 S309S208-S307 PolarHBondContact O-OG 3.15Å; S208-S307 PolarHBondContact OG-OG 2.99Å; S307-S309 PolarHBondContact O-N 3.29Å
308L57.7Low52.9Low163 Ų163108.4 Ų108.485%0.85361%0.609SS**PPolyproline II helixtrans-65.6120.8174.5-65.1-178.3000109.8H306H306-L308 PolarHBondContact O-N 2.82Å
309S52Low52.4Low104 Ų104106.4 Ų106.473%0.72762%0.616SS**PPolyproline II helixtrans-62.6144.8171.955.60000110.1S307 S311S307-S309 PolarHBondContact O-N 3.29Å; S309-S311 PolarHBondContact O-N 3.3Å; S309-S311 VanDerWaalsContact O-N 3.15Å
310P58.3Low51.5Low121 Ų121110.4 Ų110.479%0.78663%0.632SS**PPolyproline II helixtrans-61123.7-178.324.4-33.6000109.6
311S45.2Very low51Low102 Ų102112.3 Ų112.371%0.71366%0.657SS**  trans-43.8131.6178.3-176.80000110.4S309 K313S309-S311 PolarHBondContact O-N 3.3Å; S309-S311 VanDerWaalsContact O-N 3.15Å; S311-K313 PolarHBondContact O-N 3.42Å
312P53.2Low50.3Low118 Ų118114.9 Ų114.977%0.76668%0.677SS**  trans-55.7115.1-170.621.3-33.2000109.7
313K56.3Low49Very low183 Ų183116.2 Ų116.280%0.79669%0.694SS**  trans-47132.2-178.9-68.3178.6179.3177.70108.4S311 L315S311-K313 PolarHBondContact O-N 3.42Å; K313-L315 PolarHBondContact O-N 2.78Å
314P49.2Very low47.9Very low121 Ų121118.6 Ų118.679%0.78672%0.716SS**  trans-53.3119.7-178.322.6-33.3000107.9T316P314-T316 PolarHBondContact O-N 2.69Å
315L47.1Very low46.8Very low170 Ų170122 Ų12289%0.8974%0.737SS**  trans-55.2107.7-171.7-71.9172.7000108.4K313 S317K313-L315 PolarHBondContact O-N 2.78Å; L315-S317 PolarHBondContact O-N 3.2Å
316T47.1Very low45.9Very low130 Ų130123.4 Ų123.480%0.79875%0.751SS**  trans-61.5102.9175.749.50000106.5P314 S318P314-T316 PolarHBondContact O-N 2.69Å; T316-S318 PolarHBondContact O-N 3.24Å
317S38.9Very low45.3Very low98 Ų98124 Ų12469%0.68577%0.766SS**  trans-61.4101.3-175.352.80000108.5L315 S319L315-S317 PolarHBondContact O-N 3.2Å; S317-S319 PolarHBondContact O-N 3.07Å
318S40.9Very low44.8Very low118 Ų118125.7 Ų125.783%0.82578%0.778SS**  trans-74.750.6178.251.50000110.7T316 H320T316-S318 PolarHBondContact O-N 3.24Å; S318-H320 PolarHBondContact O-N 2.88Å
319S41.7Very low44Very low100 Ų100126.8 Ų126.870%0.69978%0.779SS**  trans-74.549178.8-58.20000111.1S317 G321S317-S319 PolarHBondContact O-N 3.07Å; S319-G321 PolarHBondContact O-N 2.95Å
320H42.5Very low43.6Very low173 Ų173128.8 Ų128.880%0.80179%0.787SS**  trans-76.341.2168-156.4-64.2000110.8S318S318-H320 PolarHBondContact O-N 2.88Å
321G39.9Very low42.6Very low68 Ų68128.9 Ų128.970%0.70179%0.79SS**  trans-99.785.2174.500000108.9S319 L323S319-G321 PolarHBondContact O-N 2.95Å; G321-L323 PolarHBondContact O-N 2.65Å
322S36.2Very low42.5Very low97 Ų97129.9 Ų129.968%0.67880%0.797SS**  trans-63.4113.3-173.6-53.30000112.6
323L37.4Very low41.9Very low174 Ų174129.8 Ų129.891%0.91180%0.8SS**  trans-135.2114.2149.8-79.5-176.5000110G321G321-L323 PolarHBondContact O-N 2.65Å
324S38Very low41.2Very low102 Ų102124 Ų12471%0.71379%0.792SS**  trans-73.9133.3168.8175.50000110
325T43.5Very low40.8Very low141 Ų141126.2 Ų126.287%0.86580%0.797SS**  trans-140.5135.8130.130.90000109.1
326V37.4Very low40.5Very low128 Ų128126.6 Ų126.678%0.77680%0.799SS**  trans-86.8131.5177.11780000108.9
327C36.3Very low40.5Very low127 Ų127126 Ų12686%0.85880%0.8SS**  trans-152.4117.2149.7-158.40000110.6
328S41.3Very low40.8Very low101 Ų101131.9 Ų131.971%0.70681%0.813SS**  trans-79.8168.5170.4-60.60000110.9
329Q40.8Very low41.2Very low187 Ų187131.3 Ų131.387%0.87481%0.809SS**  trans-52.7138.9177.7-58.5169.69.500112.7
330T44Very low41.2Very low146 Ų146130.5 Ų130.590%0.89682%0.817SS**  trans-161.1156.3132.15.10000111
331S37Very low41.6Very low123 Ų123130 Ų13086%0.8682%0.819SS**  trans-77.2137.3-176.2-48.60000112.7
332S43.2Very low42.1Very low122 Ų122136.7 Ų136.785%0.85383%0.829SS**  trans-152.7143.2148.962.20000111.7
333S42.5Very low43.1Very low117 Ų117137 Ų13782%0.81883%0.831SS**  trans-7814118052.70000113.3
334G40.5Very low44.7Very low61 Ų61134.5 Ų134.563%0.62983%0.826SS**  trans74.1122.315100000117.5
335N41Very low46Very low167 Ų167136.1 Ų136.189%0.89383%0.831SS**  -172.7157.788-87.8-36.1000111.8S337N335-S337 PolarHBondContact O-N 2.68Å
336L40.6Very low47.4Very low179 Ų179132.9 Ų132.994%0.93781%0.812SS**  trans-78.2111.6179.8-65.6171.4000110.6
337S46.6Very low49.3Very low118 Ų118130.6 Ų130.683%0.82580%0.802SS**  trans-133.6132.5167.5-92.20000111.2N335 S339N335-S337 PolarHBondContact O-N 2.68Å; S337-S339 PolarHBondContact O-N 3.28Å
338K46.4Very low51.3Low221 Ų221134.5 Ų134.596%0.96180%0.798SS**  trans-83.1112.7-176.1-63.9168.4-178.7169.30110.5
339S48.1Very low53.4Low105 Ų105135.5 Ų135.573%0.73480%0.795SS**  trans-114.3113.3162.257.50000110S337 L341S337-S339 PolarHBondContact O-N 3.28Å; S339-L341 PolarHBondContact O-N 3.28Å
340G41.3Very low55.4Low84 Ų84129.8 Ų129.887%0.86678%0.776SS**  trans-80.572.7-170.300000114.7
341L51.8Low57.3Low161 Ų161127.1 Ų127.184%0.84376%0.756SS**  trans-114122.5165.4-68.4175.5000109.6S339 S343S339-L341 PolarHBondContact O-N 3.28Å; L341-S343 PolarHBondContact O-N 3.07Å
342K50.8Low59.6Low209 Ų209125.7 Ų125.791%0.90974%0.738SS**  trans-70.7111.7-179.8-66.1177.1-179175.20109.2
343S56.4Low61.5Low104 Ų104122.9 Ų122.973%0.72772%0.715SS**PPolyproline II helixtrans-60138.7168.652.90000110.3L341 V345L341-S343 PolarHBondContact O-N 3.07Å; S343-V345 PolarHBondContact O-N 2.8Å
344P71.9Confident63.3Low122 Ų122119.9 Ų119.979%0.79270%0.698SS**PPolyproline II helixtrans-61.2136.7173.826.5-33.7000109.9
345V64.3Low65.3Low135 Ų135121.7 Ų121.782%0.81869%0.692SS**PPolyproline II helixtrans-62.9130.5177.6-178.20000108.5S343 S347S343-V345 PolarHBondContact O-N 2.8Å; V345-S347 PolarHBondContact O-N 3.33Å
346P72.5Confident67.3Low74 Ų74120.7 Ų120.748%0.48169%0.686SS.*PPolyproline II helixtrans-60.9130178.524.4-33.5000110.1
347S78.8Confident69.4Low79 Ų79120.3 Ų120.355%0.55268%0.677SS**PPolyproline II helixtrans-51150.2170.3169.60000110.6V345 L349 S350 L351V345-S347 PolarHBondContact O-N 3.33Å; S347-L349 PolarHBondContact O-N 3.48Å; S347-L349 VanDerWaalsContact O-N 3.09Å; S347-L349 PolarHBondContact OG-N 2.96Å; S347-S350 CarbonylContact O-C 3.59Å; S347-S350 WeakPolarHBondContact O-CA 3.44Å; S347-S350 WeakPolarHBondContact O-CB 3.07Å; S347-S350 PolarHBondContact O-N 2.88Å; S347-L351 PolarHBondContact O-N 3.36Å
348R78.4Confident70.7Confident210 Ų210118 Ų11879%0.79266%0.661SS**Hα-helixtrans-50.2-38.1174.8-71.9-176.167-160.4-0.6112L352R348-L352 WeakPolarHBondContact O-CB 3.23Å; R348-L352 VanDerWaalsContact O-CG 3.26Å; R348-L352 WeakPolarHBondContact O-CG 3.43Å; R348-L352 PolarHBondContact O-N 2.94Å
349L83.8Confident71.2Confident122 Ų122114.5 Ų114.564%0.63965%0.652SS**Hα-helixtrans-65.7-45.9174.6-17761.2000111.6S347 L351 L352 T353S347-L349 PolarHBondContact O-N 3.48Å; S347-L349 VanDerWaalsContact O-N 3.09Å; S347-L349 PolarHBondContact OG-N 2.96Å; L349-L351 PolarHBondContact O-N 3.04Å; L349-L352 PolarHBondContact O-N 3.02Å; L349-T353 VanDerWaalsContact O-CB 3.31Å; L349-T353 WeakPolarHBondContact O-CB 3.35Å; L349-T353 PolarHBondContact O-N 3.24Å; L349-T353 PolarHBondContact O-OG1 2.82Å
350S82.9Confident71.8Confident66 Ų66114.6 Ų114.646%0.46265%0.65SS.*Hα-helixtrans-61.9-39.9177174.60000112.6S347 A354S347-S350 CarbonylContact O-C 3.59Å; S347-S350 WeakPolarHBondContact O-CA 3.44Å; S347-S350 WeakPolarHBondContact O-CB 3.07Å; S347-S350 PolarHBondContact O-N 2.88Å; S350-A354 VanDerWaalsContact O-CB 3.27Å; S350-A354 WeakPolarHBondContact O-CB 3.15Å; S350-A354 PolarHBondContact O-N 3.26Å
351L84.9Confident72.1Confident91 Ų91115.5 Ų115.548%0.47664%0.643SS.*Hα-helixtrans-66.8-44.7175.2179.360.4000111.7S347 L349 A354 I355S347-L351 PolarHBondContact O-N 3.36Å; L349-L351 PolarHBondContact O-N 3.04Å; L351-A354 WeakPolarHBondContact O-CB 3.45Å; L351-A354 PolarHBondContact O-N 3.47Å; L351-I355 HydrophobicContact CD1-CD1 4.05Å; L351-I355 HydrophobicContact CD1-CG1 4.4Å; L351-I355 HydrophobicContact CG-CD1 3.98Å; L351-I355 VanDerWaalsContact O-CG1 3.29Å; L351-I355 WeakPolarHBondContact O-CG1 3.38Å; L351-I355 PolarHBondContact O-N 3.13Å
352L84.1Confident72Confident92 Ų92114.9 Ų114.948%0.48264%0.636SS.*Hα-helixtrans-65.1-43.3176.2-72.3168.6000111.7R348 L349 A354 I355 L356R348-L352 WeakPolarHBondContact O-CB 3.23Å; R348-L352 VanDerWaalsContact O-CG 3.26Å; R348-L352 WeakPolarHBondContact O-CG 3.43Å; R348-L352 PolarHBondContact O-N 2.94Å; L349-L352 PolarHBondContact O-N 3.02Å; L352-A354 VanDerWaalsContact C-N 3.29Å; L352-A354 PolarHBondContact O-N 2.76Å; L352-I355 PolarHBondContact O-N 3.06Å; L352-L356 WeakPolarHBondContact O-CB 3.08Å; L352-L356 VanDerWaalsContact O-CG 3.26Å; L352-L356 WeakPolarHBondContact O-CG 3.35Å; L352-L356 PolarHBondContact O-N 3.42Å
353T83.5Confident72Confident63 Ų63113.1 Ų113.139%0.38763%0.631SS.*Hα-helixtrans-62.5-35.5173-60.70000111.7L349 K357L349-T353 VanDerWaalsContact O-CB 3.31Å; L349-T353 WeakPolarHBondContact O-CB 3.35Å; L349-T353 PolarHBondContact O-N 3.24Å; L349-T353 PolarHBondContact O-OG1 2.82Å; T353-K357 HydrophobicContact CG2-CD 3.73Å; T353-K357 HydrophobicContact CG2-CG 4.29Å; T353-K357 VanDerWaalsContact O-CB 3.23Å; T353-K357 WeakPolarHBondContact O-CB 3.49Å; T353-K357 VanDerWaalsContact O-CG 3.22Å; T353-K357 WeakPolarHBondContact O-CG 3.39Å; T353-K357 PolarHBondContact O-N 2.89Å
354A80.8Confident71.2Confident54 Ų54118.2 Ų118.245%0.44663%0.634SS.*Hα-helixtrans-66.1-46.5173.600000111.4S350 L351 L352 L356 K357 S358S350-A354 VanDerWaalsContact O-CB 3.27Å; S350-A354 WeakPolarHBondContact O-CB 3.15Å; S350-A354 PolarHBondContact O-N 3.26Å; L351-A354 WeakPolarHBondContact O-CB 3.45Å; L351-A354 PolarHBondContact O-N 3.47Å; L352-A354 VanDerWaalsContact C-N 3.29Å; L352-A354 PolarHBondContact O-N 2.76Å; A354-L356 PolarHBondContact O-N 3.2Å; A354-K357 PolarHBondContact O-N 2.84Å; A354-S358 VanDerWaalsContact O-CB 3.29Å; A354-S358 WeakPolarHBondContact O-CB 3.41Å; A354-S358 PolarHBondContact O-N 2.66Å; A354-S358 PolarHBondContact O-OG 3.32Å; A354-S358 VanDerWaalsContact O-OG 3.09Å
355I82.3Confident70.1Confident99 Ų99118.3 Ų118.351%0.50864%0.635SS.*Hα-helixtrans-62.3-42177.4-68.9164.2000111.6L351 L352 S358L351-I355 HydrophobicContact CD1-CD1 4.05Å; L351-I355 HydrophobicContact CD1-CG1 4.4Å; L351-I355 HydrophobicContact CG-CD1 3.98Å; L351-I355 VanDerWaalsContact O-CG1 3.29Å; L351-I355 WeakPolarHBondContact O-CG1 3.38Å; L351-I355 PolarHBondContact O-N 3.13Å; L352-I355 PolarHBondContact O-N 3.06Å; I355-S358 WeakPolarHBondContact CA-OG 3.2Å; I355-S358 PolarHBondContact O-OG 3.03Å
356L83.9Confident69Low146 Ų146118 Ų11876%0.76463%0.628SS**Hα-helixtrans-74.1-27179.1-68.8169000113.1L352 A354L352-L356 WeakPolarHBondContact O-CB 3.08Å; L352-L356 VanDerWaalsContact O-CG 3.26Å; L352-L356 WeakPolarHBondContact O-CG 3.35Å; L352-L356 PolarHBondContact O-N 3.42Å; A354-L356 PolarHBondContact O-N 3.2Å
357K84Confident67.5Low171 Ų171119.5 Ų119.574%0.74364%0.64SS**Hα-helixtrans-88.2-20.7173.6-70.1179.167.8173.70113.2T353 A354 N359T353-K357 HydrophobicContact CG2-CD 3.73Å; T353-K357 HydrophobicContact CG2-CG 4.29Å; T353-K357 VanDerWaalsContact O-CB 3.23Å; T353-K357 WeakPolarHBondContact O-CB 3.49Å; T353-K357 VanDerWaalsContact O-CG 3.22Å; T353-K357 WeakPolarHBondContact O-CG 3.39Å; T353-K357 PolarHBondContact O-N 2.89Å; A354-K357 PolarHBondContact O-N 2.84Å; K357-N359 VanDerWaalsContact C-N 3.29Å; K357-N359 PolarHBondContact O-N 2.94Å
358S73Confident65.8Low70 Ų70121.5 Ų121.549%0.4965%0.651SS.*SBendtrans-77.282.6172.462.50000109.8A354 I355A354-S358 VanDerWaalsContact O-CB 3.29Å; A354-S358 WeakPolarHBondContact O-CB 3.41Å; A354-S358 PolarHBondContact O-N 2.66Å; A354-S358 PolarHBondContact O-OG 3.32Å; A354-S358 VanDerWaalsContact O-OG 3.09Å; I355-S358 WeakPolarHBondContact CA-OG 3.2Å; I355-S358 PolarHBondContact O-OG 3.03Å
359N56.9Low63.9Low147 Ų147115.9 Ų115.979%0.78665%0.649SS**  trans-52.7123.6167.9-124.8-24.6000108.6K357 S361K357-N359 VanDerWaalsContact C-N 3.29Å; K357-N359 PolarHBondContact O-N 2.94Å; N359-S361 PolarHBondContact O-N 3.49Å
360P60.7Low61.7Low107 Ų107115.9 Ų115.970%0.69566%0.66SS**  trans-74.877.6-175.330.2-35.2000110.7H362P360-H362 PolarHBondContact O-N 2.76Å
361S49Very low59.4Low103 Ų103118.4 Ų118.472%0.7268%0.676SS**  trans-55.7130176.4-175.40000110.6N359 Q363N359-S361 PolarHBondContact O-N 3.49Å; S361-Q363 PolarHBondContact O-N 2.9Å
362H50.2Low57.6Low149 Ų149119 Ų11969%0.6969%0.685SS**SBendtrans-76.158.5-174.3-62.2-76.1000112.9R21 P360R21-H362 PolarHBondContact NH1-NE2 2.68Å; R21-H362 PolarHBondContact NH2-NE2 2.9Å; P360-H362 PolarHBondContact O-N 2.76Å
363Q49.9Very low55.5Low171 Ų171120.5 Ų120.580%0.79970%0.699SS**  trans-124.993.6172.2-160.7166.51700111.1S361 P365S361-Q363 PolarHBondContact O-N 2.9Å; Q363-P365 VanDerWaalsContact O-CD 3.26Å; Q363-P365 WeakPolarHBondContact O-CD 3.46Å
364R39.5Very low53.6Low212 Ų212126.3 Ų126.380%0.872%0.719SS**  trans-67.8114.6-175.5-177.7-171.5-155.4160.66.8112.4L366R364-L366 HydrophobicContact CG-CD2 4.22Å; R364-L366 HydrophobicContact CG-CG 4.49Å
365P48.8Very low51.6Low124 Ų124128.5 Ų128.581%0.80573%0.731SS**  trans-75.5129.4161.2-6.325.9000108.5Q363Q363-P365 VanDerWaalsContact O-CD 3.26Å; Q363-P365 WeakPolarHBondContact O-CD 3.46Å
366L42.1Very low49.5Very low129 Ų129132 Ų13268%0.67575%0.749SS**  trans-93.4104.3179.2-75.6170.1000111.3R364R364-L366 HydrophobicContact CG-CD2 4.22Å; R364-L366 HydrophobicContact CG-CG 4.49Å
367S40.4Very low47.4Very low105 Ų105132.1 Ų132.173%0.73475%0.751SS**  trans69.5171.5147.9-58.80000117.6
368P43.3Very low45.1Very low121 Ų121130.1 Ų130.179%0.78676%0.759SS**  cis-137.4142.6-49.635.5-21.1000114.2
369A38.4Very low43.4Very low91 Ų91135.2 Ų135.275%0.75278%0.78SS**SBendtrans-164.3145.5152.600000112.7
370S37Very low42.4Very low122 Ų122132.5 Ų132.585%0.85378%0.777SS**  trans53.266.1158.5-61.50000118.9
371C35Very low41.1Very low119 Ų119133.2 Ų133.280%0.80479%0.785SS**  trans-95.3124.9148-610000109.1T373C371-T373 PolarHBondContact O-N 3.17Å
372P47.1Very low40.6Very low104 Ų104133 Ų13368%0.67578%0.783SS**  trans-76.6110.1171.829.9-31.5000110F374P372-F374 HydrophobicContact CG-CE2 4.31Å; P372-F374 PolarHBondContact O-N 2.89Å
373T40.6Very low39.9Very low124 Ų124132.4 Ų132.476%0.76179%0.791SS**  trans-67.1102.3176.9-53.40000110.8C371 S375C371-T373 PolarHBondContact O-N 3.17Å; T373-S375 PolarHBondContact O-N 2.83Å; T373-S375 VanDerWaalsContact O-N 3.11Å
374F42.6Very low39.7Very low185 Ų185131.5 Ų131.581%0.81179%0.79SS**  trans-77.689.2166-77.9-82.8000109.5P372 L376P372-F374 HydrophobicContact CG-CE2 4.31Å; P372-F374 PolarHBondContact O-N 2.89Å; F374-L376 PolarHBondContact O-N 3.42Å; F374-L376 VanDerWaalsContact O-N 3.17Å
375S40.1Very low39.7Very low99 Ų99127.7 Ų127.769%0.69279%0.791SS**  trans-62.2114171.4-67.10000110.5T373 N377T373-S375 PolarHBondContact O-N 2.83Å; T373-S375 VanDerWaalsContact O-N 3.11Å; S375-N377 PolarHBondContact O-N 3.11Å
376L36.8Very low39.5Very low172 Ų172128.6 Ų128.690%0.90179%0.788SS**  trans-72.870172-71.5170.8000110.9F374F374-L376 PolarHBondContact O-N 3.42Å; F374-L376 VanDerWaalsContact O-N 3.17Å
377N39.4Very low39.8Very low149 Ų149129.7 Ų129.780%0.79779%0.794SS**  trans-156.277174.6-95.4-38.1000111.8S375S375-N377 PolarHBondContact O-N 3.11Å
378S36.5Very low40Very low129 Ų129131.4 Ų131.490%0.90279%0.791SS**  trans-171.394.7152.9-83.70000109.6
379L37.7Very low39.9Very low178 Ų178134.8 Ų134.893%0.93279%0.793SS**  trans-78.9159.3163.5-81.3164.7000110
380A35.4Very low40.1Very low89 Ų89137.3 Ų137.374%0.73679%0.793SS**SBendtrans70.2124.7166.200000118.8
381S32.8Very low40.2Very low122 Ų122139.9 Ų139.985%0.85379%0.788SS**  trans56.199136.1-54.60000119.8
382S38.2Very low40.5Very low98 Ų98142.5 Ų142.569%0.68579%0.789SS**  trans-146.9104.3142.7-155.60000112.1L384S382-L384 WeakPolarHBondContact OG-CD1 3.3Å
383T35.8Very low40.4Very low138 Ų138143.6 Ų143.685%0.84779%0.794SS**  trans-93.7103.4167.7-530000107.5
384L46.8Very low40.4Very low151 Ų151142.9 Ų142.979%0.79179%0.791SS**  trans-127.2104.1-180-76.8175.6000112.2S382S382-L384 WeakPolarHBondContact OG-CD1 3.3Å
385T40.2Very low40.4Very low132 Ų132139.3 Ų139.381%0.8179%0.789SS**  trans-88.4135.2160.451.70000109.8
386L43.5Very low40.8Very low144 Ų144141.2 Ų141.275%0.75480%0.797SS**  trans171.3122.1136.9178.662.6000112.2Q388L386-Q388 HydrophobicContact CD1-CB 4.08Å; L386-Q388 HydrophobicContact CG-CB 4.28Å
387D47.7Very low41.2Very low151 Ų151139 Ų13981%0.80779%0.793SS**  trans-160.391.1142.8-162.144000106.7
388Q45.7Very low41.8Very low142 Ų142141.8 Ų141.866%0.66480%0.798SS**  84.792.164.5-164.6-161.4129.300114.4L386L386-Q388 HydrophobicContact CD1-CB 4.08Å; L386-Q388 HydrophobicContact CG-CB 4.28Å
389K40.7Very low42.4Very low192 Ų192145.9 Ų145.984%0.83580%0.8SS**  trans-161.6149.3140.9-123.9179.8-178.2175.60114.8
390I43Very low42.4Very low144 Ų144143 Ų14374%0.73879%0.794SS**  trans77.385.9158.7-56.2164.4000117.3
391K39.5Very low42.9Very low175 Ų175147 Ų14776%0.76180%0.802SS**  56.8105.7116-168.9-175.1-177.9-172.40117
392Q40.1Very low43.1Very low175 Ų175145.5 Ų145.582%0.81879%0.792SS**  -163.1153.275.7-136.5150.7-39.800114.9
393T46Very low43.3Very low126 Ų126145.6 Ų145.677%0.77379%0.792SS**  trans-76.5178.3-172.844.70000117
394P40.5Very low43.1Very low110 Ų110144.7 Ų144.771%0.71479%0.79SS**  cis-145.2175.2-42.541.4-24.4000115.6
395S42.5Very low42.8Very low110 Ų110142.1 Ų142.177%0.76979%0.785SS**  trans179.4123.5131.735.40000116.9
396T49.2Very low42.7Very low138 Ų138143.4 Ų143.485%0.84779%0.786SS**  trans42.7120.814856.30000123.7
397P43.1Very low42.5Very low127 Ų127142.2 Ų142.283%0.82579%0.785SS**  trans-115.7166.8173.441.5-32.9000115.7
398K52.7Low42Very low207 Ų207141.7 Ų141.790%0.979%0.788SS**  trans-143.8104.8163.7-75.4-169.4-180174.60115.4
399K49.4Very low41.7Very low215 Ų215138.9 Ų138.994%0.93580%0.796SS**  trans35.7130.2140.3-56.9-174.6178.4-174.80121.9
400S38.1Very low41.3Very low116 Ų116135.2 Ų135.281%0.81180%0.795SS**  trans-104.7159.2161.931.50000112.8
401L45.2Very low41.2Very low175 Ų175133.5 Ų133.592%0.91679%0.791SS**  trans-172.7167.8156.3-85.1-172.8000107.6
402S38.2Very low41Very low90 Ų90133.1 Ų133.163%0.62979%0.792SS**  -177147-50.5177.10000109.8
403S40.6Very low40.7Very low99 Ų99133.3 Ų133.369%0.69279%0.793SS**  trans65.9123.4151.250.90000123.5
404C33.1Very low40.2Very low120 Ų120135.9 Ų135.981%0.81180%0.796SS**  91.3127.7125.9-76.30000124.6
405S39.6Very low39.8Very low97 Ų97139.4 Ų139.468%0.67880%0.803SS**  trans86.991.6133.3-61.70000122.9
406L38.4Very low39.2Very low159 Ų159138.5 Ų138.583%0.83280%0.803SS**  67.6157.5118.6-67.8174.6000122.9
407T40Very low38.4Very low119 Ų119137.7 Ų137.773%0.7380%0.803SS**  trans71.694.7158.233.20000120.4
408T37.2Very low37.9Very low140 Ų140135.5 Ų135.586%0.85980%0.795SS**  48.6114.6123560000120.5
409G39.5Very low36.8Very low82 Ų82134.1 Ų134.185%0.84579%0.792SS**  trans-165.5151.4159.400000110.1
410S32.6Very low35.9Very low115 Ų115128.1 Ų128.180%0.80478%0.777SS**  trans-141.3-176.7179.4-164.70000110.5
411T40.2Very low35.8Very low109 Ų109130.2 Ų130.267%0.66977%0.774SS**  trans65.5104.8169.555.50000118.7
412E35.8Very low35Very low166 Ų166130 Ų13078%0.77677%0.768SS**  85.4112.6119.9-72.3179.2111.100123
413Q33.5Very low34.8Very low179 Ų179130.4 Ų130.484%0.83677%0.769SS**  90.1132.1119.5-159.8170.327.600119.6
414E34.2Very low34.1Very low180 Ų180130.1 Ų130.184%0.84177%0.766SS**  trans-109.1120.4178.6174.6-168.2149.800109.1
415Q32.4Very low34.1Very low184 Ų184132.2 Ų132.286%0.8676%0.763SS**  trans-156.1119.8139.6-160.3162.1-1.700111.6
416A31.5Very low33.9Very low92 Ų92134.2 Ų134.276%0.7677%0.765SS**  trans30.9117.2159.200000120.4
417S31.6Very low33.5Very low121 Ų121130.5 Ų130.585%0.84675%0.753SS**  178169.5107-161.90000112.2
418A32Very low33.1Very low81 Ų81133.1 Ų133.167%0.66975%0.754SS**  trans61.9102.7152.100000120.5
419E29.1Very low32.9Very low178 Ų178135 Ų13583%0.83275%0.751SS**  80.5147.3118-134.969.6169.100122.8
420S31.6Very low32.4Very low88 Ų88135.1 Ų135.162%0.61574%0.738SS**  trans70.791.4155.5-170.90000120
421H35.5Very low32.4Very low161 Ų161140 Ų14075%0.74575%0.745SS**  48.5124.4124-52.7-58.2000120
422Q28.8Very low32Very low170 Ų170140.3 Ų140.379%0.79475%0.747SS**  54.813970.4-72.4-108.8-12.300114.8
423P33.1Very low32.4Very low99 Ų99138.5 Ų138.564%0.64375%0.748SS**  cis-141.4-143.9-28.640.8-21.3000111.6
424C27.7Very low32.8Very low93 Ų93135.5 Ų135.563%0.62874%0.744SS**  trans-16.1138.9155.2-530000116.5
425H32.7Very low32.7Very low164 Ų164134.1 Ų134.176%0.75974%0.741SS**  -176.1129.895.9-100.8-81000108.9
426L33.8Very low32.7Very low138 Ų138130.3 Ų130.372%0.72374%0.735SS**  42.997.672.8-81.2170.2000110.8
427S31Very low32.8Very low82 Ų82135.1 Ų135.157%0.57374%0.742SS**  167.9-168.763.7-920000110.9
428F32.5Very low33.1Very low173 Ų173134.1 Ų134.176%0.75974%0.741SS**  trans10487.3147.9-62.4-70.7000119.6
429F32Very low33.1Very low181 Ų181139.4 Ų139.479%0.79475%0.752SS**  65.8144.5118.3-87.2-113.8000121.1
430S28.2Very low33.7Very low83 Ų83135.9 Ų135.958%0.5874%0.744SS**  trans60.697.8146.5-60.10000120.3T432S430-T432 PolarHBondContact O-N 3Å; S430-T432 PolarHBondContact O-OG1 2.84Å
431K34Very low34.4Very low217 Ų217137.8 Ų137.894%0.94376%0.755SS**  -23.196.1122.4178.7-167.7179.9-178.50113.2
432T30.8Very low34.3Very low117 Ų117135.2 Ų135.272%0.71876%0.755SS**  trans-150.3130.1163.213.80000111.5S430S430-T432 PolarHBondContact O-N 3Å; S430-T432 PolarHBondContact O-OG1 2.84Å
433T44Very low35.2Very low127 Ų127133 Ų13378%0.77976%0.755SS**  trans-67.9145.6173-49.40000111.3
434P42.9Very low35.8Very low116 Ų116134.3 Ų134.375%0.75376%0.764SS**  -116.9131.8119.1-6.225.6000110.1
435L31.8Very low36.2Very low151 Ų151133.8 Ų133.879%0.79177%0.766SS**  667754.8-162.677000108.9
436S32.7Very low36.7Very low105 Ų105134.5 Ų134.573%0.73477%0.774SS**  87.8105.876.1170.90000112.5
437Q32.6Very low37.2Very low193 Ų193132 Ų13290%0.90277%0.773SS**  trans-159.3165.7151.1-123.4173.1-12.300111.6
438A38.3Very low37.6Very low99 Ų99133.7 Ų133.782%0.81879%0.785SS**  trans66.892169.300000118.4
439Q32.9Very low38.1Very low192 Ų192130.7 Ų130.790%0.89779%0.785SS**  trans-31.2174.3145.1-95.5-174.3-10100118.8
440P40.8Very low38.5Very low104 Ų104127 Ų12768%0.67578%0.783SS**  trans-101.3-169.8-147.643-40.5000114.8
441P46.2Very low39.1Very low129 Ų129134 Ų13484%0.83880%0.798SS**  -130.6176.9119.238.3-31.1000115.5
442S33.9Very low39.4Very low107 Ų107128.5 Ų128.575%0.74879%0.793SS**  trans-88.2166.7-167.148.20000116.2
443P46.9Very low39.8Very low124 Ų124126.6 Ų126.681%0.80579%0.789SS**  trans-89.9157.4178.936.9-37000114.9
444P47Very low39.9Very low126 Ų126126.5 Ų126.582%0.81879%0.788SS**  trans-133.2174.5148.338.2-25.4000112.1
445A36.1Very low39.8Very low81 Ų81127 Ų12767%0.66978%0.784SS**  cis-175.9173.5-32.500000108.2
446L43.2Very low40.5Very low180 Ų180125.1 Ų125.194%0.94278%0.78SS**  trans70.3149.1167.3-50.9167.7000115.8
447A42.6Very low40.9Very low84 Ų84126.7 Ų126.769%0.69478%0.775SS**  cis-141143.7-6.100000108.6
448S39.5Very low41.3Very low119 Ų119125.1 Ų125.183%0.83277%0.765SS**  57.5127.988.1-1460000113.9
449S44.6Very low41.5Very low109 Ų109127.8 Ų127.876%0.76276%0.764SS**  cis-151.6-170.8759.50000108.9
450S39.4Very low42.1Very low105 Ų105124.6 Ų124.673%0.73476%0.76SS**  cis-158.2-168.97.5-156.20000111.3
451Y40.5Very low41.8Very low230 Ų230122.7 Ų122.790%0.90276%0.759SS**  trans-126.8152.5169-79.5-111.3000110.8
452A41.6Very low41.4Very low101 Ų101122 Ų12284%0.83576%0.758SS**  trans170.4150.514800000111.2
453A38Very low41.4Very low77 Ų77122.8 Ų122.864%0.63676%0.758SS**  cis-171.8156.1-21.300000109.5
454T46.3Very low41Very low124 Ų124124.2 Ų124.276%0.76176%0.758SS**  trans55141.9144.9530000120.8
455D39.9Very low40.6Very low127 Ų127128.8 Ų128.868%0.67976%0.759SS**  cis-161.3178.11.3-135.9-55.8000113.3
456T48.1Very low40.5Very low112 Ų112129.6 Ų129.669%0.68776%0.76SS**  trans-0.2158.5153.4370000122.4
457E40.1Very low39.9Very low138 Ų138126.3 Ų126.365%0.64575%0.752SS**  cis-155.8177.78.3-135.4-175.6133.600114.6
458K40.5Very low39.8Very low159 Ų159129.1 Ų129.169%0.69176%0.76SS**  trans-1.1135.2160.2-71170.2-168.4144.30119.9
459I43.8Very low39.9Very low156 Ų156129.5 Ų129.580%0.876%0.758SS**  64128.352.5-49.1160.4000113.6
460P45.3Very low39.8Very low124 Ų124129.7 Ų129.781%0.80576%0.757SS**  cis-140.8-175.7-36.441.6-22.1000114.5
461G34Very low40.6Very low64 Ų64131.1 Ų131.166%0.6676%0.764SS**  trans106.3165.314000000120.9
462S38.5Very low40.4Very low115 Ų115129.4 Ų129.480%0.80476%0.764SS**  trans63.7134.3-169.869.40000115
463T34Very low40.3Very low124 Ų124129.4 Ų129.476%0.76176%0.757SS**  cis97.6133.222.3-55.50000113.9
464L38.9Very low40.5Very low153 Ų153134.1 Ų134.180%0.80177%0.767SS**  trans103.7139.6169.3-71.2123.5000120.2
465R37.3Very low39.7Very low223 Ų223134.2 Ų134.284%0.84277%0.767SS**  trans64.590.8152.3-75.5-173168.5-167.4-3.2122.4
466S34.1Very low40Very low97 Ų97134.7 Ų134.768%0.67877%0.77SS**  27.1143.6107.466.40000122.4
467S31.9Very low39.5Very low112 Ų112136.4 Ų136.478%0.78377%0.774SS**  trans82.9124.515376.70000119.6
468T39.2Very low39.7Very low142 Ų142138.9 Ų138.987%0.87178%0.783SS**  trans-162.4146.1133-710000107.9
469T41.9Very low39.3Very low128 Ų128136.8 Ų136.879%0.78579%0.788SS**PPolyproline II helixtrans-91166.9-173.919.20000113.6
470P42Very low39.1Very low113 Ų113137.7 Ų137.773%0.73479%0.793SS**PPolyproline II helixtrans-79.4161.8178.434.3-36.1000112.9
471P56.7Low38.9Very low135 Ų135135.7 Ų135.788%0.87779%0.787SS**PPolyproline II helixtrans-76.7151.9178.231.9-35.5000113.3
472Q35.6Very low39.5Very low194 Ų194140.4 Ų140.491%0.90780%0.797SS**  trans-133.9125.3-178.1174.4-173-11.300110.2
473S39.6Very low40.3Very low100 Ų100140.2 Ų140.270%0.69979%0.791SS**  trans-166.5149.1169.648.40000109
474Q41.9Very low40.9Very low177 Ų177139.7 Ų139.783%0.82779%0.79SS**  cis-148.6164.9-8.9-115.9159.6-1.600107.9
475T31.5Very low40.9Very low125 Ų125137.8 Ų137.877%0.76779%0.789SS**  trans-135.5128.5175.7-580000108.7
476D44.8Very low41.2Very low138 Ų138133.4 Ų133.474%0.73879%0.787SS**  trans-133.8142171.2-92.6-56.2000110.3
477L37.3Very low41.5Very low148 Ų148134.9 Ų134.978%0.77579%0.792SS**  trans-14285.5-170.1-131.691000110.8
478F44.1Very low42Very low190 Ų190135.5 Ų135.583%0.83379%0.794SS**  trans-141.2120.3165.9-62.8-74.5000108.1
479S32.9Very low41.7Very low114 Ų114131.8 Ų131.880%0.79778%0.784SS**  78.991.553-170.50000113.2
480L40.2Very low41.7Very low175 Ų175134.5 Ų134.592%0.91679%0.792SS**  trans-150.4150.6137.1-160.959.3000109.1
481A41.6Very low41.2Very low82 Ų82134.5 Ų134.568%0.67880%0.795SS**  trans-115.8155.4179.900000110.8
482D46Very low40.5Very low163 Ų163133.8 Ų133.887%0.87279%0.791SS**  trans-141.7157.7154.6-147.3-14.3000110.5
483V54.3Low40.6Very low112 Ų112132.3 Ų132.368%0.67979%0.788SS**  trans-151.4179-148.7-179.80000108.8
484P46.4Very low40.3Very low112 Ų112132.5 Ų132.573%0.72779%0.789SS**  cis-105.2178.5-48.933.4-19.5000112.7
485S40.6Very low40.2Very low113 Ų113129.2 Ų129.279%0.7979%0.786SS**  trans160.9148.8143-80.90000113.2
486V41.7Very low40.7Very low132 Ų132128.3 Ų128.380%0.878%0.784SS**  cis-141.7160.3-44.3-145.90000108.4
487T40.4Very low40.7Very low127 Ų127130.5 Ų130.578%0.77979%0.788SS**  trans-93.7-171.9163.238.10000110.7
488P42.9Very low40.9Very low126 Ų126126.6 Ų126.682%0.81878%0.783SS**  cis-112.3-170.3-9.916.110.2000111.4
489G33.2Very low41.1Very low64 Ų64128.2 Ų128.266%0.6678%0.784SS**  cis119.4155.712.300000111.6
490L41.2Very low42.1Very low184 Ų184131.3 Ų131.396%0.96378%0.783SS**  trans86130.9-176.7-51.9175.5000118
491S32.7Very low42.5Very low113 Ų113128.7 Ų128.779%0.7977%0.769SS**  trans-83.1158.9162.5-37.90000110
492P40.8Very low43.1Very low121 Ų121128.5 Ų128.579%0.78678%0.776SS**  -158.516685.542.2-23.3000118.2
493L38.8Very low43.1Very low162 Ų162127.5 Ų127.585%0.84877%0.77SS**  trans54.7151.5136.9-164.163.2000122.7
494S32Very low42.8Very low105 Ų105128.9 Ų128.973%0.73477%0.773SS**  trans70.3159.9167.4-79.10000117.2
495S41.2Very low42.9Very low107 Ų107134.4 Ų134.475%0.74878%0.779SS**  cis-176.9160.9-18.7550000109.2
496S40.8Very low42.9Very low106 Ų106133 Ų13374%0.74178%0.775SS**  cis-174.5175.1-23-1750000108.7
497K44.7Very low43.3Very low185 Ų185132.8 Ų132.880%0.80478%0.776SS**  trans68.7141.8-173.6-86.581.8168.3-1730116.5
498G42.8Very low43.5Very low66 Ų66134.3 Ų134.368%0.6877%0.774SS**  cis141.6162.6-21.600000116.5
499R48.9Very low43.6Very low223 Ų223136 Ų13684%0.84277%0.769SS**  trans68.5120.5164.4-41-127.5-90.1-1245.9113.6
500K53.5Low44.1Very low180 Ų180139.1 Ų139.178%0.78377%0.77SS**  cis-148.6-179.636.6-67.3177122.4-71.80110.2
501D47Very low44.3Very low119 Ų119140 Ų14064%0.63676%0.761SS**  cis-170.6158-40.1-80.4-24.6000106.4
502G56Low44.6Very low78 Ų78141.6 Ų141.680%0.80476%0.761SS**  trans94.6148.2171.100000116.7
503D46.1Very low44.8Very low143 Ų143143.2 Ų143.277%0.76576%0.761SS**  -159156.7-84.5-173.920.1000109.5
504L47.8Very low44.6Very low141 Ų141140.5 Ų140.574%0.73876%0.755SS**  trans50.9115.8173.1-54.2-172.7000117.3
505R46.9Very low44.9Very low227 Ų227141.2 Ų141.286%0.85776%0.755SS**  -177.9151.752.3-107.6-97.2-172.9-179.12.9112.8
506A41.9Very low44.5Very low85 Ų85147.6 Ų147.670%0.70276%0.762SS**  trans60.6115.2149.700000121.7
507P48.9Very low44.5Very low126 Ų126147.5 Ų147.582%0.81876%0.759SS**  trans-112.3-168.5167.942.3-33.3000114.2
508E46.2Very low44Very low159 Ų159144 Ų14474%0.74376%0.758SS**  trans104.1137.4-176.3-64.3-143.1113.600114
509K45Very low43.6Very low162 Ų162146.6 Ų146.670%0.70476%0.761SS**  cis-143.5158.612-139.3171.3-170.379.30113.7
510N42.9Very low43.1Very low129 Ų129143.5 Ų143.569%0.6976%0.76SS**  trans-53.9171175.5-77.8-41.6000115.8
511R45.7Very low42.3Very low204 Ų204139.2 Ų139.277%0.7775%0.753SS**  cis165.8137.5-29.9-108.1-174.5-178.3162-3.9107.1
512N39.3Very low41.7Very low146 Ų146142.9 Ų142.978%0.78176%0.764SS**  trans65.7165.6161.6-45.6-16.3000114.6
513I45.3Very low40.9Very low154 Ų154146.5 Ų146.579%0.7976%0.763SS**  cis-145.1128.725.1-69.1173.8000111.9
514C34.4Very low40.4Very low106 Ų106145.3 Ų145.372%0.71676%0.763SS**  38.4108.7126.9-133.70000124.2
515T37.7Very low40.1Very low120 Ų120143.9 Ų143.974%0.73676%0.762SS**  74.8125.4118.8-55.50000125.1
516R31.8Very low39.9Very low240 Ų240141.2 Ų141.291%0.90676%0.763SS**  trans77155.2155.6-94.7-163.3146.3105.9-1.5121.7
517P40.9Very low39.6Very low105 Ų105143.5 Ų143.568%0.68276%0.763SS**  trans-119.4165.7-170.743.2-32.8000115.9
518S35.9Very low39.2Very low111 Ų111146.1 Ų146.178%0.77677%0.765SS**  -177.9138.9128.2-800000114.5
519T34.2Very low38.6Very low121 Ų121143.3 Ų143.374%0.74276%0.763SS**  trans16.9121.1144.8-24.90000121.3
520L37.7Very low38.3Very low157 Ų157142 Ų14282%0.82277%0.769SS**  168.1153.5111.3-89.5173000115.9
521S37Very low37.9Very low91 Ų91140.7 Ų140.764%0.63678%0.775SS**  trans56.5104.114760.60000124.7
522F35.3Very low37.5Very low196 Ų196139 Ų13986%0.8678%0.781SS**  75.1131.6116.6-76.8-68.4000125.7
523I37.5Very low37Very low154 Ų154137.9 Ų137.979%0.7978%0.784SS**  trans82.1118.5150.1-62.9159.3000119.3
524P36.3Very low36.6Very low117 Ų117136.3 Ų136.376%0.7679%0.787SS**  trans-110.8172169.141.6-33.3000113.6
525P40.7Very low36.6Very low112 Ų112136.3 Ų136.373%0.72779%0.788SS**  trans-127.6136.216436.8-23.1000116
526I42.9Very low36.6Very low170 Ų170133.9 Ų133.987%0.87279%0.787SS**  trans74.1155.2139.9-65.9172.2000118.5
527N36.7Very low37.2Very low133 Ų133131.6 Ų131.671%0.71178%0.784SS**  trans-140.8127-162.9159.288.9000109.6
528E41.1Very low37.1Very low181 Ų181131.5 Ų131.585%0.84679%0.785SS**  trans-132.9142.8168.9-86.4-61.3159.300109
529S33Very low37.2Very low101 Ų101136.4 Ų136.471%0.70679%0.792SS**  trans-125.9117-163.9-173.20000112.5
530T38.2Very low37.6Very low134 Ų134138.5 Ų138.582%0.82279%0.793SS**  trans-145.6126.4170.5-51.90000109.7
531A33.9Very low38.5Very low101 Ų101136.8 Ų136.884%0.83579%0.792SS**  trans-83.5121.8-17600000111.9
532L37.6Very low38.5Very low170 Ų170137.5 Ų137.589%0.8980%0.797SS**  trans-138144.9164.1-90.7168000109.3
533S29.1Very low39Very low121 Ų121133.7 Ų133.785%0.84679%0.791SS**  trans-88.2140.4-171.5470000112.8
534S36.2Very low39.5Very low121 Ų121130.8 Ų130.885%0.84679%0.79SS**  trans-152.6132.3166.9-168.30000113.6
535S35.2Very low39.9Very low106 Ų106132.2 Ų132.274%0.74179%0.791SS**  trans-32.7117.4176.9-170.40000117.4
536G37.9Very low40.1Very low69 Ų69130.6 Ų130.671%0.71178%0.782SS**  trans-111.3119.8161.100000110.4C538G536-C538 PolarHBondContact O-N 3.16Å
537K44.8Very low40.4Very low193 Ų193129.8 Ų129.884%0.83978%0.78SS**PPolyproline II helixtrans-79118.3-165.9-63.1162.1-173.9171.90112.4
538C37.7Very low41Very low103 Ų103130.9 Ų130.970%0.69679%0.785SS**PPolyproline II helixtrans-86.2140.8170.2-62.70000111.2G536G536-C538 PolarHBondContact O-N 3.16Å
539F38.7Very low41.4Very low213 Ų213127.9 Ų127.993%0.93477%0.773SS**PPolyproline II helixtrans-82.5134.8164.2-83.9-98000109.8
540H43.2Very low42Very low166 Ų166126.7 Ų126.777%0.76976%0.759SS**  trans-109.9124.8175.2-71.1-99.7000110.2
541P56.4Low42.4Very low121 Ų121130.9 Ų130.979%0.78676%0.759SS**  trans-73.4165.4160.632.8-33.2000110.7
542S35.7Very low42.8Very low106 Ų106130.7 Ų130.774%0.74175%0.752SS**  trans-61.4150.3-165.8-50.80000115.2A544S542-A544 PolarHBondContact O-N 3.46Å
543P46.6Very low43.2Very low115 Ų115130.3 Ų130.375%0.74774%0.743SS**SBendtrans-70.3-4.5-171.1-20.634.1000117.1L545P543-L545 VanDerWaalsContact C-N 3.25Å; P543-L545 PolarHBondContact O-N 3.03Å
544A47.9Very low43.7Very low93 Ų93134 Ų13477%0.76974%0.738SS**THydrogen-bonded Turntrans-74.64-161.800000116.6S542S542-A544 PolarHBondContact O-N 3.46Å
545L44.1Very low43.6Very low147 Ų147134.2 Ų134.277%0.7774%0.735SS**THydrogen-bonded Turntrans-135.911.2-175-68.3175.3000114.6P543P543-L545 VanDerWaalsContact C-N 3.25Å; P543-L545 PolarHBondContact O-N 3.03Å
546S44.7Very low43.6Very low78 Ų78134.7 Ų134.755%0.54574%0.737SS.*  trans-74.8-32.3-172.4-65.80000114.9L548 I549S546-L548 PolarHBondContact O-N 3.38Å; S546-I549 PolarHBondContact O-N 2.97Å
547D50.3Low43.5Very low154 Ų154137 Ų13782%0.82474%0.742SS**Hα-helixtrans-73.7-21.9-166.9-67.7-41.2000115.2
548L48.5Very low43.1Very low156 Ų156137 Ų13782%0.81775%0.746SS**Hα-helixtrans-78.2-23.1179.6-169.857.8000112.7S546S546-L548 PolarHBondContact O-N 3.38Å
549I48.8Very low43.1Very low117 Ų117142.6 Ų142.660%0.675%0.752SS**Hα-helixtrans-84.5-33.1-173.4-63.4177.2000111.9S546 R551 S552S546-I549 PolarHBondContact O-N 2.97Å; I549-R551 VanDerWaalsContact C-N 3.29Å; I549-R551 PolarHBondContact O-N 2.93Å; I549-S552 PolarHBondContact O-N 2.88Å
550D46.5Very low43.2Very low76 Ų76139.2 Ų139.241%0.40674%0.739SS.*Hα-helixtrans-70.4-23-174.5-168.563.5000113.7S552 K553 R554D550-S552 PolarHBondContact O-N 3.03Å; D550-K553 PolarHBondContact O-N 3.26Å; D550-R554 IonicContact OD2-CZ 3.51Å; D550-R554 IonicContact OD2-NE 2.71Å; D550-R554 PolarHBondContact OD2-NE 2.84Å; D550-R554 IonicContact OD2-NH2 3.57Å; D550-R554 PolarHBondContact OD2-NH2 3.19Å
551R47.7Very low42.8Very low222 Ų222135 Ų13584%0.83873%0.728SS**THydrogen-bonded Turntrans-69.3-13.1176.4-154.4167.8-173.7144-0.7113.5I549I549-R551 VanDerWaalsContact C-N 3.29Å; I549-R551 PolarHBondContact O-N 2.93Å
552S40.7Very low42Very low97 Ų97136.1 Ų136.168%0.67873%0.727SS**THydrogen-bonded Turntrans-91.1-7.6176.6-171.90000113.6I549 D550I549-S552 PolarHBondContact O-N 2.88Å; D550-S552 PolarHBondContact O-N 3.03Å
553K45.8Very low42.1Very low162 Ų162140.1 Ų140.170%0.70473%0.734SS**THydrogen-bonded Turntrans-103-17.1-174-70.6-74-176171.40115D550 T555D550-K553 PolarHBondContact O-N 3.26Å; K553-T555 PolarHBondContact O-N 2.7Å
554R39.9Very low41.5Very low198 Ų198144.2 Ų144.275%0.74774%0.735SS**SBendtrans-95.148.3-172.6-73-171.8-97.1154.1-9.7114.5D550D550-R554 IonicContact OD2-CZ 3.51Å; D550-R554 IonicContact OD2-NE 2.71Å; D550-R554 PolarHBondContact OD2-NE 2.84Å; D550-R554 IonicContact OD2-NH2 3.57Å; D550-R554 PolarHBondContact OD2-NH2 3.19Å
555T35.3Very low41.1Very low127 Ų127145.6 Ų145.678%0.77974%0.736SS**SBendtrans-142.527-179.118.70000114.4K553K553-T555 PolarHBondContact O-N 2.7Å
556C35.3Very low40.5Very low116 Ų116144.5 Ų144.578%0.78473%0.731SS**SBendtrans-147.6142.4167.5-147.40000112.6
557S36Very low40.4Very low117 Ų117145.9 Ų145.982%0.81874%0.738SS**  trans58.282.6166.3-58.90000119
558Q35.5Very low39.8Very low194 Ų194143.8 Ų143.891%0.90774%0.736SS**  trans-135.887.3155.4-171.9-175.57.500111.7
559R37Very low39.3Very low219 Ų219141.2 Ų141.283%0.82674%0.736SS**  trans-170.5152.1160.7-74-142.8-172.7-147.63.8106.5
560H40.5Very low38.7Very low143 Ų143142.9 Ų142.966%0.66275%0.746SS**  cis-135.9-175.75.9-132.6-79.9000111
561S36.8Very low38.7Very low77 Ų77145.5 Ų145.554%0.53877%0.767SS.*  trans-61172.3177.950.20000114.7
562D38.5Very low38.5Very low144 Ų144140.5 Ų140.577%0.7776%0.761SS**  -16417350.3-104.2-63.8000117.8
563Q37.7Very low38.5Very low190 Ų190141 Ų14189%0.88876%0.762SS**  trans89.8146.2167.8-57.9-149.915.300121.2
564R33.6Very low39.1Very low201 Ų201139.4 Ų139.476%0.75877%0.769SS**  trans-122.3163.8-172.8-138.8-174.983.4-159.65.5108.2
565P41Very low39.2Very low123 Ų123136.1 Ų136.180%0.79977%0.77SS**  -135.4179.57616.77.2000115.2
566N31.3Very low39.2Very low124 Ų124135.2 Ų135.266%0.66377%0.769SS**  trans-111.8169.3177.1-141.1-1000107.1
567P42.4Very low39.4Very low107 Ų107141.4 Ų141.470%0.69578%0.776SS**  -152-179.554.443.9-23.3000118.4
568S37.6Very low39.5Very low110 Ų110140.5 Ų140.577%0.76978%0.775SS**  trans72.893.4148.7-590000120.9
569A37.7Very low39.7Very low101 Ų101134.4 Ų134.484%0.83577%0.765SS**  175.2135.7107.600000112.1
570L36.3Very low39.9Very low153 Ų153130.2 Ų130.280%0.80177%0.769SS**  trans-107.9156.4162.2-104.882.3000109.5T572L570-T572 HydrophobicContact CD2-CG2 4.35Å
571P45.2Very low40Very low131 Ų131127.8 Ų127.885%0.85177%0.774SS**  -132.6167.9110.220.6-1.9000114.4
572T44.4Very low40.1Very low117 Ų117129.4 Ų129.472%0.71879%0.785SS**PPolyproline II helixtrans-93.1163.2-171.237.20000114.6L570L570-T572 HydrophobicContact CD2-CG2 4.35Å
573P40.6Very low40.1Very low106 Ų106131.3 Ų131.369%0.68879%0.789SS**PPolyproline II helixtrans-86.4158.4178.835.5-36.5000113.9
574P57.9Low40.6Very low130 Ų130127.4 Ų127.484%0.84478%0.78SS**PPolyproline II helixtrans-83162.5167.935.1-34.4000112.6
575V42.5Very low40.9Very low128 Ų128125.8 Ų125.878%0.77678%0.781SS**  trans-137.7153.5-170.8-166.10000111.2
576S35.8Very low40.9Very low109 Ų109126.3 Ų126.376%0.76278%0.776SS**  trans108.6149147.8-46.80000119.8
577R38Very low41.3Very low246 Ų246123.4 Ų123.493%0.92878%0.776SS**  trans92.2135.5142.7-150.2174.8-163.7138.92.5117.6
578A39.7Very low41.3Very low97 Ų97128.7 Ų128.780%0.80278%0.784SS**  cis-168.9163.5-26.200000111.1
579G39.8Very low41.2Very low67 Ų67128.8 Ų128.869%0.69178%0.784SS**  trans130110.4170.400000111.8
580S40.3Very low41.4Very low130 Ų130132.1 Ų132.191%0.90979%0.786SS**  73.7128.264.4-61.70000112.8
581A42.8Very low41.7Very low93 Ų93132.1 Ų132.177%0.76979%0.786SS**  cis-163.2177.2-3.500000108.8
582S39.3Very low41.6Very low110 Ų110131.4 Ų131.477%0.76978%0.782SS**  cis-165.6167.6-5.643.40000111.3
583H38.9Very low41.7Very low184 Ų184131.3 Ų131.385%0.85278%0.783SS**  trans-92.9-168.8163.9-70.5-63000110
584P47.3Very low41.6Very low109 Ų109134.8 Ų134.871%0.70879%0.79SS**  cis-152.2-154.916.446-22.5000117.8
585H39.7Very low40.6Very low166 Ų166133.5 Ų133.577%0.76978%0.784SS**  trans76.6146159.8-96.2-55.7000118.3
586L41.9Very low40.4Very low134 Ų134131.8 Ų131.870%0.70278%0.778SS**  cis-126.2157.90.5-78.7133.9000109.7
587G39.8Very low40.5Very low64 Ų64133.8 Ų133.866%0.6678%0.779SS**  86.1131.27200000111.1
588Y42.1Very low40.5Very low218 Ų218127.2 Ų127.286%0.85577%0.766SS**  cis-146.6165.516.2-80.1-101.2000112.4
589S35.1Very low40.6Very low111 Ų111131 Ų13178%0.77677%0.767SS**  trans-106.1161.2166.9-51.60000111.5
590I41.9Very low40.3Very low172 Ų172132 Ų13288%0.88277%0.769SS**  trans-156.2137.4146.6-100143.7000110.1
591L43.8Very low40.3Very low152 Ų152133.8 Ų133.880%0.79677%0.767SS**  trans-132.1154.9170.8-117.5165.6000105.3
592P41Very low39.9Very low117 Ų117137.7 Ų137.776%0.7677%0.77SS**  -154.1-178.7102.436.4-15.4000115.6
593P47.4Very low39.7Very low115 Ų115143.9 Ų143.975%0.74778%0.776SS**  trans-126.2179.7-169.844-31.2000115.6
594E38.4Very low39.3Very low179 Ų179140.7 Ų140.784%0.83678%0.775SS**  trans-153.5131.9150.3-99.6179.3174.300108.3
595S37.2Very low38.9Very low102 Ų102140.8 Ų140.871%0.71378%0.776SS**  76.4139.981.6116.70000114.3
596S38Very low38.5Very low92 Ų92138.4 Ų138.464%0.64378%0.778SS**  cis-166.9171.2-5.8510000112.4
597L38.7Very low38.1Very low152 Ų152136.8 Ų136.880%0.79678%0.784SS**  trans67.8147.5160.6-76.9159.6000118.2
598T38.3Very low38.1Very low107 Ų107142.1 Ų142.166%0.65680%0.796SS**  cis-146.8159.710.4-38.10000112.9
599Q40.2Very low38.1Very low177 Ų177140 Ų14083%0.82779%0.794SS**  trans-13161.7158.2-55.6163.330.400119.7
600A34.8Very low38.8Very low87 Ų87140.3 Ų140.372%0.71979%0.793SS**  cis-166164.9-13.100000106.2
601L40.1Very low38.6Very low168 Ų168137.8 Ų137.888%0.8879%0.79SS**  -170.816558.2-165.872.4000109.2
602Q34.1Very low38.4Very low176 Ų176136.8 Ų136.882%0.82279%0.794SS**  trans-79.8141.8-174.8-63.7-174.7-19.200115.4
603R34.1Very low38.7Very low239 Ų239134.7 Ų134.790%0.90280%0.795SS**  -175.5122.9130-103.7164.4-176.8133.3-0.6113.1
604S31Very low38.2Very low118 Ų118135 Ų13583%0.82580%0.8SS**  trans-98.8152.2141.1-56.60000107
605P39Very low38.3Very low111 Ų111130.8 Ų130.872%0.72180%0.795SS**  -152.4165.984.840.6-22.7000117.1
606S32.6Very low38.4Very low116 Ų116132.5 Ų132.581%0.81180%0.801SS**  trans55.2131.3142.8-60.80000122.6
607A33.1Very low38.4Very low100 Ų100133.8 Ų133.883%0.82681%0.809SS**  trans-63.8153.5172.600000114.3
608L39.9Very low38.8Very low175 Ų175132.3 Ų132.392%0.91681%0.808SS**  trans-113.7120.8165.5-71.5170.9000109.6
609H41.3Very low38.7Very low175 Ų175132.1 Ų132.181%0.8181%0.812SS**  trans-141.7125.8160.8-162.7-71.4000108.2
610P49.6Very low38.6Very low117 Ų117134.7 Ų134.776%0.7681%0.814SS**  trans-71146.9179.929.9-34.4000110.7
611S38.8Very low39.1Very low119 Ų119136.9 Ų136.983%0.83282%0.818SS**  trans-125.9122.7170.9-175.60000108.8
612C38.6Very low39.4Very low130 Ų130132.2 Ų132.288%0.87881%0.811SS**  trans-90.9111.5178.1-172.90000109.3
613G46.9Very low40.2Very low74 Ų74132.4 Ų132.476%0.76381%0.814SS**  trans-89.5133.717800000112.4
614S36.7Very low41Very low122 Ų122125.7 Ų125.785%0.85380%0.801SS**  trans-147.1113.4171.6179.90000110.5
615A40.5Very low41.9Very low89 Ų89127.7 Ų127.774%0.73680%0.803SS**  trans-172.3111.8158.700000112.5
616T39.6Very low42.1Very low139 Ų139126.9 Ų126.985%0.85380%0.799SS**  60.1127.8129.3-44.70000121.8
617C38.5Very low42.6Very low118 Ų118127.6 Ų127.680%0.79780%0.799SS**  trans-89.2172.9173.3-41.50000113.6
618P46.5Very low42.9Very low121 Ų121127.4 Ų127.479%0.78680%0.798SS**  trans-133.9113.8142.834.1-19.9000115.7
619S36.9Very low43.2Very low104 Ų104124.8 Ų124.873%0.72779%0.794SS**  trans24.7147.2141.665.20000125.4
620R37.8Very low43.1Very low231 Ų231124 Ų12487%0.87280%0.796SS**  trans79.4141.8153.9-122.5-179.1-96.7-111.1-1.4114.7
621T46.5Very low42.7Very low133 Ų133130.4 Ų130.482%0.81681%0.805SS**  cis-155153.324.1-52.50000111.4
622G44.5Very low42.7Very low70 Ų70130 Ų13072%0.72280%0.802SS**  trans137.5136.3163.700000115.7
623M52.8Low42.8Very low179 Ų179129.2 Ų129.288%0.88280%0.798SS**  trans-149.5175.1-177.8-78.8-85.7-74.800108
624P51Low42.5Very low98 Ų98136.4 Ų136.464%0.63680%0.802SS**  cis-126-165.7-48.139.2-24000110.2
625D50Low42.7Very low160 Ų160137 Ų13786%0.85680%0.8SS**  -163.3165.5126.5-125.6-35.4000116.4
626S41.5Very low42.7Very low94 Ų94138 Ų13866%0.65780%0.802SS**  trans-60.2153.3-178.7-163.50000113.9
627T44.8Very low42.6Very low132 Ų132137.5 Ų137.581%0.8180%0.799SS**  -16915058-54.10000112.6
628A39.1Very low43.1Very low96 Ų96138 Ų13879%0.79380%0.8SS**  trans-98.9153.2177.900000113.9
629S46.2Very low42.6Very low119 Ų119137.5 Ų137.583%0.83280%0.8SS**  trans-152.6133.7164.3-171.20000112.2
630N39.5Very low42.8Very low158 Ų158140.5 Ų140.585%0.84581%0.807SS**  trans-97.1138.3174.9-88.2-70.9000110.7
631R40.8Very low43Very low252 Ų252134.5 Ų134.595%0.95180%0.798SS**  trans-155147.2155-110.2170.2-165.9-92.5-1110.7
632S38Very low42.7Very low111 Ų111135.5 Ų135.578%0.77680%0.804SS**  trans-130138.9-167.364.80000114.4
633S41.3Very low42.4Very low113 Ų113137 Ų13779%0.7980%0.803SS**  trans-155.6105.616050.40000107.9
634R39.4Very low41.5Very low226 Ų226136.3 Ų136.385%0.85380%0.802SS**  84.2117.668.4-81.3-171-177.6-161.92.7113.7
635V41.7Very low40.8Very low134 Ų134138.2 Ų138.281%0.81281%0.812SS**  trans74.1137.8141.8176.20000115.8
636S40.2Very low40Very low111 Ų111141.2 Ų141.278%0.77681%0.811SS**  cis-128.3163.49.1-680000113.6
637T38.3Very low39.9Very low128 Ų128142.9 Ų142.979%0.78582%0.818SS**  trans-93.7172.6157.354.30000111.1
638P48.5Very low39.9Very low128 Ų128145.5 Ų145.583%0.83182%0.818SS**  -133.8154.99938.2-30.2000114.2
639S35.9Very low40.1Very low111 Ų111149.4 Ų149.478%0.77682%0.82SS**PPolyproline II helixtrans-85.4139.8179.2520000113.1
640L42.2Very low40Very low166 Ų166151.3 Ų151.387%0.86982%0.82SS**PPolyproline II helixtrans-100.7141.5164.3-72.1173.6000111
641P41.8Very low40.4Very low106 Ų106152 Ų15269%0.68882%0.822SS**PPolyproline II helixtrans-85.4124.5-174.532.3-33.7000112.8S643P641-S643 PolarHBondContact O-N 2.94Å
642V40.1Very low40.4Very low154 Ų154144.5 Ų144.593%0.93381%0.808SS**  trans-94.185166-1790000108.9
643S37.5Very low40.6Very low101 Ų101144.7 Ų144.771%0.70681%0.806SS**  trans-104.4110.2179.8-70.60000112.2P641P641-S643 PolarHBondContact O-N 2.94Å
644L34.2Very low40.2Very low164 Ų164145.6 Ų145.686%0.85981%0.811SS**  trans54.9106.6143.3-153.779.9000119
645T35.1Very low40.3Very low138 Ų138139 Ų13985%0.84781%0.805SS**  trans-152.7141.3137.1-5.20000111.5
646R34.1Very low40.4Very low223 Ų223140.7 Ų140.784%0.84281%0.809SS**  trans-108.782.1-172.5179.5-164.2-178.2-174.44.2109.8
647T39.7Very low40.3Very low130 Ų130141 Ų14180%0.79881%0.811SS**  trans-83.5121.2175.441.80000111.1E649T647-E649 PolarHBondContact O-N 3.12Å
648K44.5Very low40.5Very low187 Ų187143.1 Ų143.181%0.81381%0.814SS**  trans-85.888.5164.5-76.7-174.9175.8-1770108.2
649E42.9Very low40.2Very low178 Ų178142.8 Ų142.883%0.83282%0.815SS**  trans-83.5123.4169.4-162.5162.3-130.600109.8T647T647-E649 PolarHBondContact O-N 3.12Å
650L45.6Very low40.7Very low158 Ų158142.1 Ų142.183%0.82782%0.816SS**  trans-87.2110.3-179.5-71.9169.9000108.9S652L650-S652 VanDerWaalsContact C-N 3.31Å; L650-S652 PolarHBondContact O-N 2.86Å
651I45.8Very low41.3Very low173 Ų173137.4 Ų137.489%0.88781%0.807SS**  trans-68.992.1173.9-57.4174.4000108.4
652S41.3Very low41.7Very low94 Ų94138.4 Ų138.466%0.65781%0.814SS**  trans-66.7137.5172-170.30000109.9L650 C654L650-S652 VanDerWaalsContact C-N 3.31Å; L650-S652 PolarHBondContact O-N 2.86Å; S652-C654 PolarHBondContact O-N 2.86Å
653P42.9Very low42.2Very low116 Ų116137.5 Ų137.575%0.75380%0.799SS**  trans-65.5135.4174.428.2-34.1000110.5A655P653-A655 PolarHBondContact O-N 2.96Å; P653-A655 VanDerWaalsContact O-N 3.13Å
654C33Very low42.6Very low132 Ų132140.6 Ų140.689%0.89281%0.808SS**  trans-60.1115.4-179.2-61.80000112S652S652-C654 PolarHBondContact O-N 2.86Å
655A41.2Very low43.8Very low88 Ų88140.5 Ų140.573%0.72780%0.801SS**  trans-79.1144.5151.100000108.7P653 S657P653-A655 PolarHBondContact O-N 2.96Å; P653-A655 VanDerWaalsContact O-N 3.13Å; A655-S657 PolarHBondContact O-N 2.9Å
656L44Very low44.9Very low169 Ų169143.6 Ų143.689%0.88580%0.802SS**  trans-74.8106.3177.3-73.7162.5000109.8M658L656-M658 PolarHBondContact O-N 3.42Å
657S36.9Very low46Very low118 Ų118139 Ų13983%0.82580%0.802SS**PPolyproline II helixtrans-68.6116.2174.5-62.10000110.9A655A655-S657 PolarHBondContact O-N 2.9Å
658M44.5Very low46.9Very low171 Ų171140.4 Ų140.484%0.84280%0.797SS**PPolyproline II helixtrans-73.5148.3168.2-68.5-84.877.200111L656L656-M658 PolarHBondContact O-N 3.42Å
659S42.2Very low47.8Very low122 Ų122139.5 Ų139.585%0.85380%0.795SS**PPolyproline II helixtrans-69.1135-170.9-169.90000112.7
660A46.2Very low48.2Very low97 Ų97139.9 Ų139.980%0.80279%0.79SS**  trans-100.810317700000111
661G54Low49.2Very low66 Ų66140.4 Ų140.468%0.6879%0.786SS**  trans-77.5143.4168.300000111.9E663G661-E663 PolarHBondContact O-N 3.29Å
662P51.2Low50.1Low127 Ų127138.6 Ų138.683%0.82578%0.783SS**  trans-88.6106.2-176.433.2-32.9000112.5
663E49.8Very low51.4Low136 Ų136142.3 Ų142.364%0.63679%0.787SS**  trans-126.4124.2161-150.4-162.5113.600112.2G661 K665G661-E663 PolarHBondContact O-N 3.29Å; E663-K665 VanDerWaalsContact C-N 3.35Å; E663-K665 PolarHBondContact O-N 3.08Å; E663-K665 WeakPolarHBondContact OE1-CD 2.97Å; E663-K665 WeakPolarHBondContact OE1-CE 3.13Å; E663-K665 IonicContact OE1-NZ 2.69Å; E663-K665 PolarHBondContact OE1-NZ 2.99Å
664N45.2Very low52.2Low166 Ų166143 Ų14389%0.88880%0.795SS**  trans-84.866.7-169-66.1-71.3000112.8
665K59.7Low53Low162 Ų162141.3 Ų141.370%0.70478%0.784SS**  trans-116.8126.2170.8-72.7177.1-177.7145.70110.5E663E663-K665 VanDerWaalsContact C-N 3.35Å; E663-K665 PolarHBondContact O-N 3.08Å; E663-K665 WeakPolarHBondContact OE1-CD 2.97Å; E663-K665 WeakPolarHBondContact OE1-CE 3.13Å; E663-K665 IonicContact OE1-NZ 2.69Å; E663-K665 PolarHBondContact OE1-NZ 2.99Å
666K58.5Low53.6Low203 Ų203146.3 Ų146.388%0.88379%0.786SS**  trans-53.5122.9-173.9-67.6-179.7178.71780110.6K668K666-K668 PolarHBondContact O-N 3.06Å
667P56.8Low54.6Low127 Ų127146.6 Ų146.683%0.82578%0.78SS**  trans-66.6111.9178.726.2-33.2000109.7Q669P667-Q669 PolarHBondContact O-N 2.75Å
668K59.1Low55.8Low159 Ų159145.1 Ų145.169%0.69178%0.775SS**  trans-62.5118166.5-79.6-177.5177177.50107.6K666 Y670K666-K668 PolarHBondContact O-N 3.06Å; K668-Y670 VanDerWaalsContact C-N 3.26Å; K668-Y670 HydrophobicContact CB-CD2 4.05Å; K668-Y670 HydrophobicContact CB-CE2 3.6Å; K668-Y670 HydrophobicContact CD-CE2 4.38Å; K668-Y670 WeakPolarHBondContact O-CD2 3.49Å; K668-Y670 PolarHBondContact O-N 2.71Å
669Q63.5Low56.3Low167 Ų167145.2 Ų145.278%0.7877%0.771SS**  trans-71.983.6177-170.8-174.917.700109.9P667 K671P667-Q669 PolarHBondContact O-N 2.75Å; Q669-K671 VanDerWaalsContact C-N 3.31Å; Q669-K671 HydrophobicContact CG-CG 4.49Å; Q669-K671 PolarHBondContact O-N 3.36Å
670Y51Low57.1Low186 Ų186143.4 Ų143.473%0.72976%0.763SS**  trans-66.191.9169.3-71-82.8000109K668 T672K668-Y670 VanDerWaalsContact C-N 3.26Å; K668-Y670 HydrophobicContact CB-CD2 4.05Å; K668-Y670 HydrophobicContact CB-CE2 3.6Å; K668-Y670 HydrophobicContact CD-CE2 4.38Å; K668-Y670 WeakPolarHBondContact O-CD2 3.49Å; K668-Y670 PolarHBondContact O-N 2.71Å; Y670-T672 VanDerWaalsContact C-N 3.32Å; Y670-T672 PolarHBondContact O-N 3.02Å
671K66.1Low57.8Low169 Ų169143.5 Ų143.574%0.73576%0.764SS**  trans-65.693.7167.1-76.7-173.7175-178.70108.4Q669 K673Q669-K671 VanDerWaalsContact C-N 3.31Å; Q669-K671 HydrophobicContact CG-CG 4.49Å; Q669-K671 PolarHBondContact O-N 3.36Å; K671-K673 PolarHBondContact O-N 2.86Å
672T65.3Low58Low135 Ų135146.9 Ų146.983%0.82877%0.765SS**  trans-53108.6166.8-54.40000108.3Y670 S674Y670-T672 VanDerWaalsContact C-N 3.32Å; Y670-T672 PolarHBondContact O-N 3.02Å; T672-S674 PolarHBondContact O-N 2.85Å
673K68.9Low58.4Low172 Ų172146.5 Ų146.575%0.74876%0.763SS**  trans-64.3123.7177-66.7-178.7178.8179.10107.7K671 S675K671-K673 PolarHBondContact O-N 2.86Å; K673-S675 PolarHBondContact O-N 2.94Å
674S58.7Low58.7Low131 Ų131145.7 Ų145.792%0.91677%0.767SS**THydrogen-bonded Turntrans-72.933.6176.5620000113T672T672-S674 PolarHBondContact O-N 2.85Å
675S51.3Low59.2Low96 Ų96142 Ų14267%0.67175%0.748SS**THydrogen-bonded Turntrans-106.42-178.761.70000112.7K673 K677K673-S675 PolarHBondContact O-N 2.94Å; S675-K677 PolarHBondContact O-N 2.93Å
676Y51.9Low59.2Low194 Ų194139.4 Ų139.476%0.76175%0.745SS**  trans-74.9106.4168.5-165.3-99.3000108.6A678Y676-A678 PolarHBondContact O-N 3.49Å
677K66.7Low59.2Low174 Ų174136 Ų13676%0.75774%0.736SS**  trans-62.3107.5166.3-76.1-174.6176.1-178.10107.1S675 F679S675-K677 PolarHBondContact O-N 2.93Å; K677-F679 PolarHBondContact O-N 2.93Å
678A60.3Low59.2Low87 Ų87135.4 Ų135.472%0.71973%0.725SS**  trans-63.1103169.300000108Y676 A680Y676-A678 PolarHBondContact O-N 3.49Å; A678-A680 PolarHBondContact O-N 2.96Å
679F55.1Low59.1Low174 Ų174134.9 Ų134.976%0.76373%0.729SS**  trans-61108.7162.3-70.6-87.5000106.1K677 A681K677-F679 PolarHBondContact O-N 2.93Å; F679-A681 PolarHBondContact O-N 3.4Å
680A59.4Low58.9Low83 Ų83134.6 Ų134.669%0.68673%0.728SS**  trans-56133.9172.400000107.7A678 I682A678-A680 PolarHBondContact O-N 2.96Å; A680-I682 PolarHBondContact O-N 2.62Å
681A62Low59.3Low100 Ų100133 Ų13383%0.82673%0.727SS**  trans-56.8106.7-178.400000109.3F679 P683F679-A681 PolarHBondContact O-N 3.4Å; A681-P683 VanDerWaalsContact O-CD 3.28Å; A681-P683 WeakPolarHBondContact O-CD 3.36Å
682I57.6Low58.9Low137 Ų137134.3 Ų134.370%0.70373%0.733SS**  trans-71.7119.5177.7-59.6177.4000106A680 T684A680-I682 PolarHBondContact O-N 2.62Å; I682-T684 PolarHBondContact O-N 3.37Å
683P58.8Low58.5Low118 Ų118132.1 Ų132.177%0.76673%0.728SS**  trans-68.2102.4168.4-12.529.3000106.7A681 N685A681-P683 VanDerWaalsContact O-CD 3.28Å; A681-P683 WeakPolarHBondContact O-CD 3.36Å; P683-N685 PolarHBondContact O-N 3.46Å
684T56.7Low57.8Low119 Ų119132.3 Ų132.373%0.7374%0.737SS**  trans-73.771.5-177.947.50000110.4I682 T686I682-T684 PolarHBondContact O-N 3.37Å; T684-T686 PolarHBondContact O-N 3.46Å
685N56.1Low57.6Low90 Ų90133.7 Ų133.748%0.48173%0.734SS.*  trans-68.8100.6165.5-174.9-7.6000108.1P683 L687 L688P683-N685 PolarHBondContact O-N 3.46Å; N685-L687 PolarHBondContact O-N 2.97Å; N685-L687 PolarHBondContact OD1-N 2.89Å; N685-L688 PolarHBondContact O-N 2.91Å
686T59Low57.9Low106 Ų106137.3 Ų137.365%0.6574%0.74SS**G310 helixtrans-60.6-29.5-17645.10000112.8T684 L688T684-T686 PolarHBondContact O-N 3.46Å; T686-L688 PolarHBondContact O-N 3.36Å
687L58Low58.2Low132 Ų132132.6 Ų132.669%0.69173%0.733SS**G310 helixtrans-736.7-175.4-58.4172000114.8N685N685-L687 PolarHBondContact O-N 2.97Å; N685-L687 PolarHBondContact OD1-N 2.89Å
688L57.4Low56.9Low115 Ų115128.8 Ų128.860%0.60273%0.734SS**G310 helixtrans-121.71.5-176-86.6164.4000115.2N685 T686N685-L688 PolarHBondContact O-N 2.91Å; T686-L688 PolarHBondContact O-N 3.36Å
689L57Low56.2Low148 Ų148135.6 Ų135.678%0.77574%0.741SS**SBendtrans-86.6-23.6172.8-107.667000113.5Q691L689-Q691 VanDerWaalsContact C-N 3.32Å; L689-Q691 PolarHBondContact O-N 2.94Å
690E60.2Low55.9Low160 Ų160133.9 Ų133.975%0.74875%0.745SS**G310 helixtrans-80.3-7.6-167.6-60.1-178156.100114.4
691Q58Low55Low154 Ų154138.3 Ų138.372%0.7275%0.752SS**G310 helixtrans-99.227.3-175.6-62.9-170.3-11.700114.4L689L689-Q691 VanDerWaalsContact C-N 3.32Å; L689-Q691 PolarHBondContact O-N 2.94Å
692K59.2Low54.1Low196 Ų196138.6 Ų138.685%0.85275%0.747SS**G310 helixtrans-137.59.9-178.4-69.2-66158.5-154.70116.7
693A56.3Low53.2Low88 Ų88138.5 Ų138.573%0.72775%0.748SS**SBendtrans-107.38.7-173.700000115.8
694L53.2Low52.7Low177 Ų177138.6 Ų138.693%0.92775%0.752SS**  trans-132.874.2-175.7-68.7175.8000112.3
695D55.8Low52.1Low159 Ų159142.8 Ų142.885%0.8576%0.76SS**  trans-157.581.1161.3-160.714.4000109.2
696E57.3Low51.4Low173 Ų173142.8 Ų142.881%0.80877%0.772SS**  trans-113.4117.9177.2-140.4-64.9141.700107.8A698E696-A698 PolarHBondContact O-N 3.35Å
697P56.9Low50.5Low94 Ų94143.1 Ų143.161%0.6178%0.779SS**  trans-85.1113.5-158.431.2-35.6000113.6R699P697-R699 VanDerWaalsContact C-N 3.3Å; P697-R699 PolarHBondContact O-N 3.13Å
698A41.4Very low49.9Very low94 Ų94142.4 Ų142.478%0.77778%0.78SS**  trans-67.673.1177.900000114.6E696E696-A698 PolarHBondContact O-N 3.35Å
699R45.6Very low49.2Very low231 Ų231142 Ų14287%0.87279%0.787SS**  trans-148.5114163.1-67.4-63152153.6-0.5112.6P697P697-R699 VanDerWaalsContact C-N 3.3Å; P697-R699 PolarHBondContact O-N 3.13Å
700T48.6Very low48.6Very low138 Ų138141.5 Ų141.585%0.84779%0.785SS**  trans-148.8139.8147-710000108.1
701E39.6Very low48Very low176 Ų176140 Ų14082%0.82278%0.781SS**  trans-110.4117.5-173.5179.5178.3170.700108.8
702S44.2Very low47.4Very low105 Ų105139 Ų13973%0.73479%0.788SS**  trans-14954.3-175.853.60000113.8S704S702-S704 PolarHBondContact O-N 3.34Å
703N38.7Very low47.1Very low136 Ų136134.9 Ų134.973%0.72778%0.779SS**  trans-35.1113.1165.841.6-81.6000117
704S47.3Very low46.5Very low119 Ų119138 Ų13883%0.83278%0.779SS**  trans-152154.6152.156.30000111.8S702S702-S704 PolarHBondContact O-N 3.34Å
705K44.1Very low46.4Very low208 Ų208136.5 Ų136.590%0.90477%0.766SS**  trans-82.4155.5-178-57.6175.4177.4176.70110
706A41.8Very low45.4Very low89 Ų89134.8 Ų134.874%0.73677%0.767SS**  178.3168.453.300000112.4
707S40.1Very low45Very low114 Ų114132.2 Ų132.280%0.79777%0.768SS**  trans71.5138.6147.7-159.20000119.1
708V45.2Very low44.3Very low116 Ų116135.2 Ų135.270%0.70378%0.779SS**  cis-160138.1-15.9126.10000107.4
709S42.9Very low44.1Very low108 Ų108136.3 Ų136.376%0.75578%0.781SS**  trans58.6160.4170.560.20000117.2
710D43.3Very low44.1Very low137 Ų137131.5 Ų131.573%0.73378%0.78SS**  cis-148.2155.210.3-150.76.2000113.3
711L48.7Very low43.9Very low128 Ų128130.6 Ų130.667%0.6778%0.779SS**  trans38.4135170-97.669.5000121V713L711-V713 HydrophobicContact CD2-CG2 3.98Å; L711-V713 HydrophobicContact CG-CG2 4.33Å
712P45.9Very low44Very low132 Ų132133.6 Ų133.686%0.85778%0.783SS**  -135.5168.282.639.6-29000115
713V51.1Low44.2Very low110 Ų110133.9 Ų133.967%0.66778%0.782SS**  trans-92.1142.6-172.1178.30000112.5L711L711-V713 HydrophobicContact CD2-CG2 3.98Å; L711-V713 HydrophobicContact CG-CG2 4.33Å
714E44.6Very low44.3Very low154 Ų154132.2 Ų132.272%0.7278%0.781SS**  trans-15.5159.5148.1-94.4-174.2104.800119
715H51.9Low44.2Very low145 Ų145135.1 Ų135.167%0.67178%0.781SS**  cis-138157.217.4-52.4-95.5000112.5
716S34.7Very low43.9Very low123 Ų123131.1 Ų131.186%0.8678%0.775SS**  trans-119.8150.2156-70.40000108.9
717S48.6Very low44Very low120 Ų120133.9 Ų133.984%0.83977%0.774SS**  trans-138.4130.7177.1-60.40000111.5
718D41.3Very low44.4Very low157 Ų157136.2 Ų136.284%0.8478%0.777SS**  trans-84.6166.3-170.1-70-64.2000115.2
719S37.9Very low44.4Very low116 Ų116133.9 Ų133.981%0.81178%0.776SS**  trans119.7117.1141.1-54.50000117.2
720P46.2Very low45.2Very low130 Ų130134.3 Ų134.384%0.84478%0.779SS**  trans-112.4138.4167.736.4-27.3000113.6
721S44.1Very low45.4Very low119 Ų119135.2 Ų135.283%0.83278%0.779SS**  trans-158.5124.7163.860.40000118.2
722R40.7Very low45.4Very low239 Ų239134.6 Ų134.690%0.90278%0.781SS**  trans55.3156.4150.1-69-172.670.8-163.11.1124.1
723P49.7Very low45.8Very low112 Ų112134.5 Ų134.573%0.72777%0.772SS**  trans-125.9-174.6-172.745.2-30.9000115.7
724S40.9Very low45.8Very low101 Ų101138.8 Ų138.871%0.70678%0.781SS**  trans-156.6131.2161-80.50000115.5
725Q43.7Very low46Very low179 Ų179137.9 Ų137.984%0.83679%0.787SS**  41.1139.9129.3-42.6-178.710.200119.8
726T39.2Very low45.9Very low124 Ų124136 Ų13676%0.76179%0.787SS**  cis-156.9-163.831.160.80000109.4
727M44.2Very low46.6Very low147 Ų147136 Ų13672%0.72478%0.782SS**  cis-165.4169.4-14.4-130-55.3109.600109.8
728L48.4Very low46.4Very low163 Ų163136.3 Ų136.385%0.85378%0.779SS**  trans59.5143.9159.6-61.8164.6000119.6
729G44.2Very low47Very low67 Ų67136.9 Ų136.969%0.69178%0.777SS**  cis172.2148.2-10.900000114.2
730S58.8Low47.8Very low117 Ų117136.9 Ų136.982%0.81877%0.773SS**  trans60.7126.8166.7-64.70000119.8
731E49.4Very low47.9Very low156 Ų156142.1 Ų142.173%0.72978%0.777SS**  96.2124.752.4-170.8174.6-17500112.3
732T47Very low48.3Very low115 Ų115140.9 Ų140.971%0.70677%0.774SS**  -177.9118.194.2-59.40000114.5
733I55.2Low48.7Very low130 Ų130134.9 Ų134.967%0.66778%0.775SS**  trans31.2124.7140-32.8167.7000122
734K51.2Low48.7Very low201 Ų201133.2 Ų133.287%0.87478%0.778SS**  175.7147.7119.2-92.5159.8-169.5173.80116.3
735T48.8Very low49.4Very low135 Ų135140 Ų14083%0.82879%0.788SS**  trans-123.2-162.8179.455.30000108.5
736P49.4Very low50.3Low106 Ų106139.8 Ų139.869%0.68879%0.787SS**  cis-143.7173.30.842-20.9000119.2
737T49.6Very low50.8Low121 Ų121138.9 Ų138.974%0.74278%0.782SS**  trans36.7128.1138.8-52.50000123.2
738T45Very low51.7Low127 Ų127140.6 Ų140.678%0.77979%0.785SS**  179.6145.8119.3-73.60000112.4
739H54.5Low52.1Low170 Ų170142.8 Ų142.879%0.78778%0.783SS**  trans-116.3-173.6175.1-47.6-81.5000109.9
740P54.4Low52.6Low115 Ų115143.8 Ų143.875%0.74779%0.785SS**  cis-141.8179.6-2.544-25.7000117
741R48.2Very low51.9Low241 Ų241146 Ų14691%0.90979%0.787SS**  trans56.4104139.9-172-173.6-167.2173.94.8120.3
742A51.5Low52.1Low93 Ų93146.1 Ų146.177%0.76979%0.792SS**  177.8143.3108.200000114.7
743A49.6Very low51.9Low113 Ų113145.4 Ų145.493%0.93479%0.792SS**  trans37.884151.400000120.1
744G48.6Very low51.2Low76 Ų76145.4 Ų145.478%0.78480%0.804SS**  trans-131137.9161.200000111.5
745R57Low51Low244 Ų244141 Ų14192%0.92180%0.798SS**  trans-80.9133.2169.8-75.4167.2156.5150.9-14.1109
746E61.7Low50.9Low174 Ų174139.4 Ų139.481%0.81379%0.792SS**  -177.9160.1128.450.7-159.1124.600113.7
747T50.3Low50.4Low106 Ų106140 Ų14065%0.6580%0.799SS**  trans-75.7133.9-167.1-48.60000112.6Y749T747-Y749 HydrophobicContact CG2-CD2 3.85Å; T747-Y749 HydrophobicContact CG2-CE2 3.68Å
748K62.4Low50.2Low183 Ų183140.4 Ų140.480%0.79680%0.801SS**  trans-118.1112.3160.3-54.3-61.7178.8-167.80107.6A750K748-A750 PolarHBondContact O-N 3.39Å
749Y56.7Low50.3Low209 Ų209141.1 Ų141.182%0.8281%0.806SS**  trans-70.3128.2173.3-77.3-90.9000109.3T747T747-Y749 HydrophobicContact CG2-CD2 3.85Å; T747-Y749 HydrophobicContact CG2-CE2 3.68Å
750A55.4Low50.1Low87 Ų87138.6 Ų138.672%0.71981%0.807SS**  trans-82.4119.7-17900000110.8K748 L752K748-A750 PolarHBondContact O-N 3.39Å; A750-L752 VanDerWaalsContact C-N 3.26Å; A750-L752 PolarHBondContact O-N 3.38Å
751N44.3Very low50.1Low163 Ų163140.6 Ų140.687%0.87281%0.807SS**  trans-78.971.1173.5-74.7-38.7000111.3
752L53.9Low50.7Low160 Ų160134.2 Ų134.284%0.83880%0.799SS**  trans-143.9139.3166.6-65.1175.2000107.4A750A750-L752 VanDerWaalsContact C-N 3.26Å; A750-L752 PolarHBondContact O-N 3.38Å
753S43.4Very low51.3Low100 Ų100136.7 Ų136.770%0.69980%0.795SS**  cis-147.7157.89.553.70000112.1S755S753-S755 PolarHBondContact O-N 3.04Å
754S39.1Very low52Low130 Ų130139.3 Ų139.391%0.90979%0.792SS**  trans-73.583.2173.7-52.40000111.2S756S754-S756 PolarHBondContact O-N 2.84Å
755S47Very low53.1Low109 Ų109138.7 Ų138.776%0.76277%0.773SS**  trans-72114.7173.161.90000110.6S753S753-S755 PolarHBondContact O-N 3.04Å
756S46.3Very low54.1Low100 Ų100135.2 Ų135.270%0.69977%0.765SS**  trans-65.7166.5174.755.40000112.3S754 T758S754-S756 PolarHBondContact O-N 2.84Å; S756-T758 PolarHBondContact O-N 2.97Å
757S39.8Very low54.7Low118 Ų118133.5 Ų133.583%0.82577%0.769SS**  trans-58.7116-179.849.80000112.9
758T44.6Very low56Low130 Ų130132.5 Ų132.580%0.79878%0.779SS**  trans-106.3118.9158.750.50000109.3S756 S760S756-T758 PolarHBondContact O-N 2.97Å; T758-S760 PolarHBondContact O-N 3.18Å
759T46.8Very low57.1Low142 Ų142127.8 Ų127.887%0.87177%0.766SS**  trans-67.6110.1170.542.30000108.8E761T759-E761 PolarHBondContact O-N 3.32Å
760S52.2Low58.2Low117 Ų117125.8 Ų125.882%0.81877%0.767SS**  trans-69.698.5176.958.70000110T758 S762T758-S760 PolarHBondContact O-N 3.18Å; S760-S762 PolarHBondContact O-N 3.22Å
761E52.9Low59.2Low157 Ų157129.6 Ų129.673%0.73476%0.763SS**  trans-49.4121.1177.1-171.5-168.7150.600111.2T759 Q763T759-E761 PolarHBondContact O-N 3.32Å; E761-Q763 VanDerWaalsContact C-N 3.28Å; E761-Q763 PolarHBondContact O-N 3.12Å
762S61Low60.9Low107 Ų107128 Ų12875%0.74876%0.761SS**  trans-75.480177.5171.90000110.1S760 L764S760-S762 PolarHBondContact O-N 3.22Å; S762-L764 PolarHBondContact O-N 3.48Å
763Q63.7Low62Low145 Ų145125.9 Ų125.968%0.67876%0.755SS**  trans-54.1112.9176-73.7-159.7-3.400111E761 T765E761-Q763 VanDerWaalsContact C-N 3.28Å; E761-Q763 PolarHBondContact O-N 3.12Å; Q763-T765 PolarHBondContact O-N 2.9Å; Q763-T765 PolarHBondContact O-OG1 3.3Å
764L64.1Low63.4Low169 Ų169126.7 Ų126.789%0.88576%0.758SS**  trans-57.3103.9-173.3-72.5165.3000110.2S762S762-L764 PolarHBondContact O-N 3.48Å
765T72.8Confident65.1Low62 Ų62127.8 Ų127.838%0.3875%0.752SS.*PPolyproline II helixtrans-74.7139.1178.3-63.10000108.8Q763 V769 R771Q763-T765 PolarHBondContact O-N 2.9Å; Q763-T765 PolarHBondContact O-OG1 3.3Å; T765-V769 HydrophobicContact CG2-CB 3.83Å; T765-V769 HydrophobicContact CG2-CG1 3.81Å; T765-V769 VanDerWaalsContact CG2-O 3.22Å; T765-V769 WeakPolarHBondContact CG2-O 3.26Å; T765-R771 PolarHBondContact OG1-NH2 3.37Å
766K77.8Confident66.1Low171 Ų171131.6 Ų131.674%0.74376%0.755SS**PPolyproline II helixtrans-54.5143.4-171.6-66.5-177.4179.3-179.30111.9G768 V769K766-G768 PolarHBondContact O-N 3.47Å; K766-V769 PolarHBondContact O-N 3.07Å
767P75.1Confident67.2Low139 Ų139132 Ų13290%0.90376%0.757SS**THydrogen-bonded Turntrans-49.5126.9176.9-28.435.2000112.2
768G77.8Confident68.3Low84 Ų84134.6 Ų134.687%0.86675%0.754SS**THydrogen-bonded Turntrans93.5-3.9-178.600000116.1K766K766-G768 PolarHBondContact O-N 3.47Å
769V83.7Confident69.1Low85 Ų85135.2 Ų135.252%0.51575%0.752SS.*  trans-108.4106.1175.1179.50000110.7T765 K766 R771T765-V769 HydrophobicContact CG2-CB 3.83Å; T765-V769 HydrophobicContact CG2-CG1 3.81Å; T765-V769 VanDerWaalsContact CG2-O 3.22Å; T765-V769 WeakPolarHBondContact CG2-O 3.26Å; K766-V769 PolarHBondContact O-N 3.07Å; V769-R771 HydrophobicContact CG1-CG 4.47Å
770I79.9Confident69.6Low166 Ų166136.5 Ų136.585%0.85175%0.745SS**  trans-89.4131.5174.2-58174.6000109
771R77.4Confident69.9Low167 Ų167138.5 Ų138.563%0.6375%0.746SS**  trans-125.1135.8168-67.6-167.9-68.8168.2-2109.5T765 V769 V773T765-R771 PolarHBondContact OG1-NH2 3.37Å; V769-R771 HydrophobicContact CG1-CG 4.47Å; R771-V773 PolarHBondContact O-N 3.4Å
772P80.8Confident70Confident129 Ų129137.8 Ų137.884%0.83874%0.741SS**  trans-61.1130.5170.8-21.133000110.7
773V75.2Confident69.8Low117 Ų117143 Ų14371%0.70975%0.75SS**  trans-95125.41721780000108.2R771 I775R771-V773 PolarHBondContact O-N 3.4Å; V773-I775 PolarHBondContact O-N 3.32Å
774P74.6Confident69.5Low117 Ų117142.2 Ų142.276%0.7675%0.746SS**  trans-7588.4178.230.2-34.1000110.9K776P774-K776 PolarHBondContact O-N 3.44Å
775I73.3Confident69.2Low153 Ų153142.7 Ų142.779%0.78574%0.744SS**  trans-70.4117.4173.8-58.2173.9000108.8V773V773-I775 PolarHBondContact O-N 3.32Å
776K69.6Low68.6Low189 Ų189148.6 Ų148.682%0.82277%0.767SS**  trans-93107.4170.8-66-175.6179.7-177.40109.3P774 K778P774-K776 PolarHBondContact O-N 3.44Å; K776-K778 PolarHBondContact O-N 3.17Å
777S68.4Low67.8Low107 Ų107146.5 Ų146.575%0.74877%0.768SS**  trans-65.4112171.139.80000110.2L779S777-L779 VanDerWaalsContact C-N 3.32Å; S777-L779 PolarHBondContact O-N 3.02Å; S777-L779 VanDerWaalsContact O-N 3.07Å
778K62.3Low67.4Low174 Ų174148.8 Ų148.876%0.75776%0.76SS**  trans-7789.1164.9-75.7-171.3177.2-177.40108.2K776 F780K776-K778 PolarHBondContact O-N 3.17Å; K778-F780 VanDerWaalsContact C-N 3.31Å; K778-F780 HydrophobicContact CB-CD2 4.37Å; K778-F780 HydrophobicContact CB-CE2 4.12Å; K778-F780 PolarHBondContact O-N 3.1Å
779L62.9Low67.3Low142 Ų142153 Ų15374%0.74376%0.757SS**  trans-69.890.8172.2-134.5174.2000108.4S777 L781S777-L779 VanDerWaalsContact C-N 3.32Å; S777-L779 PolarHBondContact O-N 3.02Å; S777-L779 VanDerWaalsContact O-N 3.07Å; L779-L781 HydrophobicContact CD2-CD1 4.3Å; L779-L781 PolarHBondContact O-N 3.46Å
780F56.9Low67.1Low169 Ų169152.9 Ų152.974%0.74176%0.759SS**  trans-69.3108.3168.7-75.5-83.6000107.8K778 K782K778-F780 VanDerWaalsContact C-N 3.31Å; K778-F780 HydrophobicContact CB-CD2 4.37Å; K778-F780 HydrophobicContact CB-CE2 4.12Å; K778-F780 PolarHBondContact O-N 3.1Å; F780-K782 PolarHBondContact O-N 3.32Å
781L58.8Low67.1Low159 Ų159148.7 Ų148.783%0.83274%0.738SS**  trans-69.974.7162.6-88.878.1000108.8L779 K783L779-L781 HydrophobicContact CD2-CD1 4.3Å; L779-L781 PolarHBondContact O-N 3.46Å; L781-K783 PolarHBondContact O-N 3.37Å
782K53.5Low67.3Low142 Ų142144.8 Ų144.862%0.61773%0.734SS**  trans-69.8111156.6-152.6178.4171.5-147.10104.8F780 E784F780-K782 PolarHBondContact O-N 3.32Å; K782-E784 WeakPolarHBondContact CD-OE2 3.08Å; K782-E784 WeakPolarHBondContact CE-OE1 3.49Å; K782-E784 WeakPolarHBondContact CE-OE2 3.42Å; K782-E784 IonicContact NZ-OE1 3.82Å; K782-E784 PolarHBondContact NZ-OE1 3.02Å; K782-E784 IonicContact NZ-OE2 3.36Å; K782-E784 PolarHBondContact NZ-OE2 2.85Å; K782-E784 PolarHBondContact O-N 3.01Å
783K56.6Low67.1Low216 Ų216145.3 Ų145.394%0.93972%0.723SS**  trans-76.660.2176.1-165.6-173.7179.5-172.30108.9L781L781-K783 PolarHBondContact O-N 3.37Å
784E57.9Low67.1Low130 Ų130142.1 Ų142.161%0.60771%0.706SS**  trans-81.7122.4175.8-153130.6-112.800106.4K782 E786K782-E784 WeakPolarHBondContact CD-OE2 3.08Å; K782-E784 WeakPolarHBondContact CE-OE1 3.49Å; K782-E784 WeakPolarHBondContact CE-OE2 3.42Å; K782-E784 IonicContact NZ-OE1 3.82Å; K782-E784 PolarHBondContact NZ-OE1 3.02Å; K782-E784 IonicContact NZ-OE2 3.36Å; K782-E784 PolarHBondContact NZ-OE2 2.85Å; K782-E784 PolarHBondContact O-N 3.01Å; E784-E786 PolarHBondContact O-N 2.99Å
785E57.8Low67.3Low179 Ų179142.1 Ų142.184%0.83669%0.694SS**  trans-7593.4-175.9-170.1170.1161.400108.4V787E785-V787 PolarHBondContact O-N 3.49Å
786E59.8Low67.4Low186 Ų186142 Ų14287%0.86969%0.685SS**  trans-66.494.3-179.6-171.2167.3-14100109.3E784 Y788E784-E786 PolarHBondContact O-N 2.99Å; E786-Y788 PolarHBondContact O-N 3.23Å
787V62.5Low67.4Low126 Ų126138.7 Ų138.776%0.76468%0.675SS**  trans-61.3104.9179.3178.90000108.2E785 E789E785-V787 PolarHBondContact O-N 3.49Å; V787-E789 PolarHBondContact O-N 3.21Å
788Y65.5Low67.2Low188 Ų188139.4 Ų139.474%0.73767%0.667SS**  trans-64.196.4176.7179.5-96.8000109.8E786 P790E786-Y788 PolarHBondContact O-N 3.23Å; Y788-P790 HydrophobicContact CE1-CB 4.13Å; Y788-P790 WeakPolarHBondContact O-CD 3.24Å
789E75.3Confident67.2Low171 Ų171137.2 Ų137.280%0.79966%0.664SS**  trans-73.7115.1169-170168.9-139.400108.4V787 N791V787-E789 PolarHBondContact O-N 3.21Å; E789-N791 PolarHBondContact O-N 3.22Å
790P80.1Confident67Low84 Ų84135.4 Ų135.455%0.54566%0.663SS.*  trans-67.4138-175.727.8-34.5000110.3Y788 P792Y788-P790 HydrophobicContact CE1-CB 4.13Å; Y788-P790 WeakPolarHBondContact O-CD 3.24Å; P790-P792 VanDerWaalsContact O-N 3.1Å
791N80.4Confident67.1Low78 Ų78132.2 Ų132.242%0.41766%0.662SS.*  trans-43.3118.1-178.4175.3-2.9000111.5E789 F793 S794E789-N791 PolarHBondContact O-N 3.22Å; N791-F793 PolarHBondContact O-N 2.78Å; N791-F793 WeakPolarHBondContact OD1-CB 3.34Å; N791-F793 WeakPolarHBondContact OD1-CD2 3.35Å; N791-F793 PolarHBondContact OD1-N 2.95Å; N791-S794 VanDerWaalsContact O-CB 3.23Å; N791-S794 WeakPolarHBondContact O-CB 3.39Å; N791-S794 PolarHBondContact O-N 3.47Å; N791-S794 PolarHBondContact O-OG 2.76Å
792P80.9Confident67Low84 Ų84127.5 Ų127.555%0.54565%0.651SS.*THydrogen-bonded Turntrans-66.5-11.7-174.626.5-35.4000113.6P790 K795P790-P792 VanDerWaalsContact O-N 3.1Å; P792-K795 PolarHBondContact O-NZ 2.89Å
793F75.8Confident67.1Low141 Ų141128.2 Ų128.262%0.61866%0.661SS**THydrogen-bonded Turntrans-92.3-5.4174-57.9-79.8000114.2N791 K795 Y796N791-F793 PolarHBondContact O-N 2.78Å; N791-F793 WeakPolarHBondContact OD1-CB 3.34Å; N791-F793 WeakPolarHBondContact OD1-CD2 3.35Å; N791-F793 PolarHBondContact OD1-N 2.95Å; F793-K795 VanDerWaalsContact C-N 3.29Å; F793-K795 PolarHBondContact O-N 2.98Å; F793-Y796 HydrophobicContact CB-CD2 4.39Å; F793-Y796 HydrophobicContact CD1-CD2 4.15Å; F793-Y796 HydrophobicContact CD1-CE2 4.26Å; F793-Y796 PolarHBondContact O-N 3.37Å
794S76.3Confident67Low49 Ų49127.4 Ų127.434%0.34366%0.658SS.*G310 helixtrans-46.9-51177.547.20000112.4N791 Y796 L797N791-S794 VanDerWaalsContact O-CB 3.23Å; N791-S794 WeakPolarHBondContact O-CB 3.39Å; N791-S794 PolarHBondContact O-N 3.47Å; N791-S794 PolarHBondContact O-OG 2.76Å; S794-Y796 PolarHBondContact O-N 2.8Å; S794-L797 WeakPolarHBondContact O-CB 3.38Å; S794-L797 PolarHBondContact O-N 2.89Å
795K78.4Confident66.9Low118 Ų118126.7 Ų126.751%0.51367%0.667SS.*G310 helixtrans-54.4-5177.268.8176.8-172.6-79.90117.2P792 F793P792-K795 PolarHBondContact O-NZ 2.89Å; F793-K795 VanDerWaalsContact C-N 3.29Å; F793-K795 PolarHBondContact O-N 2.98Å
796Y76.3Confident66.7Low150 Ų150127.3 Ų127.359%0.58867%0.67SS**G310 helixtrans-108.9-4.1175.7-58.1-62000113.2F793 S794F793-Y796 HydrophobicContact CB-CD2 4.39Å; F793-Y796 HydrophobicContact CD1-CD2 4.15Å; F793-Y796 HydrophobicContact CD1-CE2 4.26Å; F793-Y796 PolarHBondContact O-N 3.37Å; S794-Y796 PolarHBondContact O-N 2.8Å
797L68.7Low65.9Low119 Ų119131.3 Ų131.362%0.62369%0.689SS**THydrogen-bonded Turntrans-87.7-32.5-179.9-75.1165.2000112.7S794 D799 S800S794-L797 WeakPolarHBondContact O-CB 3.38Å; S794-L797 PolarHBondContact O-N 2.89Å; L797-D799 PolarHBondContact O-N 2.86Å; L797-S800 PolarHBondContact O-OG 2.8Å; L797-S800 VanDerWaalsContact O-OG 3.13Å
798E65.4Low66.1Low122 Ų122131.6 Ų131.657%0.5769%0.685SS**G310 helixtrans-63.6-35.7-178.1-79.178.9-131.800114.1S800 S801E798-S800 PolarHBondContact O-N 3.03Å; E798-S801 PolarHBondContact O-N 3.5Å; E798-S801 PolarHBondContact O-OG 2.93Å
799D61.8Low66.1Low128 Ų128128.6 Ų128.668%0.68468%0.682SS**G310 helixtrans-64.3-17-169.6-78.2-19.9000114.7L797 S801L797-D799 PolarHBondContact O-N 2.86Å; D799-S801 PolarHBondContact O-N 3.46Å
800S58.6Low65.6Low104 Ų104126.3 Ų126.373%0.72768%0.676SS**G310 helixtrans-74.3-9178.5640000114.5L797 E798L797-S800 PolarHBondContact O-OG 2.8Å; L797-S800 VanDerWaalsContact O-OG 3.13Å; E798-S800 PolarHBondContact O-N 3.03Å
801S58.4Low64.8Low103 Ų103128.8 Ų128.872%0.7268%0.683SS**G310 helixtrans-100.2-8.5-168.666.20000116.1E798 D799E798-S801 PolarHBondContact O-N 3.5Å; E798-S801 PolarHBondContact O-OG 2.93Å; D799-S801 PolarHBondContact O-N 3.46Å
802G56Low63.8Low59 Ų59131.9 Ų131.961%0.60870%0.7SS**SBendtrans-95.7-13.5-16800000117.8F804G802-F804 PolarHBondContact O-N 3.32Å
803L56.5Low62.7Low158 Ų158135.1 Ų135.183%0.82771%0.71SS**SBendtrans-97.321.1-162.1-72171.3000116.2
804F54.8Low61.7Low199 Ų199134.7 Ų134.787%0.87372%0.717SS**SBendtrans-127.649.3-178.9-74-77.2000113G802G802-F804 PolarHBondContact O-N 3.32Å
805S56.2Low60.6Low114 Ų114141.3 Ų141.380%0.79775%0.746SS**SBendtrans-143.914.5179.1-66.20000115.7
806E53.8Low59.1Low193 Ų193143.3 Ų143.390%0.90277%0.765SS**  trans-142.862.8176.9-160.7173.3114.700112.9
807Q42.8Very low57.5Low270 Ų270142.6 Ų142.6100%1.26278%0.781SS**  trans-161.70154.4-99-150.9-108.700110.7

Retrieved 807 of 807 residues in 212.2 ms (Link to these results)