A0A087XU62_POEFO Loading...

Phosphatase and actin regulator 4

Regulator of protein phosphatase 1 (PP1) required for neural tube and optic fissure closure, and enteric neural crest cell (ENCCs) migration during development. Acts as an activator of PP1. During neural tube closure, localizes to the ventral neural tube and activates PP1, leading to down-regulate cell proliferation within cranial neural tissue and the neural retina. Also acts as a regulator of migration of enteric neural crest cells (ENCCs) by activating PP1, leading to repression of the integrin signaling through the rho/rock pathway.

AlphaFold DB , UniProt , Accession A0A087XU62, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 867 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
1M31.3Very low35.8Very low221 Ų221148.8 Ų148.8100%1.08972%0.72SS**  0132.10-55.773.3168.600107.7
2E35.3Very low35.7Very low148 Ų148151.3 Ų151.369%0.69273%0.729SS**  cis-179.5143.3-21-126173.795.800107.3
3N36.3Very low35.2Very low113 Ų113147.7 Ų147.760%0.60473%0.729SS**  trans66.1147.6153.3-57.8-24.5000117.2
4R36.6Very low35Very low190 Ų190146.4 Ų146.472%0.71773%0.734SS**  cis-161.4160.2-4.2-118.1-176.3136.2101.915.9111.1
5D38.8Very low34.7Very low107 Ų107147.3 Ų147.357%0.57274%0.737SS**  20.5146122.6-41.91.4000117.5
6D38.6Very low34.4Very low128 Ų128146.9 Ų146.968%0.68474%0.744SS**  cis-165.8-178.64.7-131.7-37.3000112.9
7E39.4Very low34.3Very low159 Ų159142.9 Ų142.974%0.74375%0.748SS**  trans25.6168.2143.2-78.6178168.700123.4
8T37.7Very low34.1Very low105 Ų105146.1 Ų146.164%0.64476%0.759SS**  cis-158.31486.54.50000112.5
9E36.1Very low33.9Very low150 Ų150142.6 Ų142.670%0.70176%0.762SS**  trans57.8168.7135.5-78.2-163.5149.300128.5
10Q33.8Very low33.7Very low145 Ų145138.8 Ų138.868%0.67876%0.758SS**  trans104.266.4143.4-90.5164.471.900123.3
11H30.3Very low33.4Very low171 Ų171137.8 Ų137.879%0.79276%0.762SS**  26.5119.6120.1-66.2-85.9000121.6
12H34.5Very low33.4Very low179 Ų179132.8 Ų132.883%0.82974%0.744SS**  trans-173.1155.8141.436.5-82.3000109.9
13S29Very low33.1Very low104 Ų104134.6 Ų134.673%0.72775%0.752SS**  cis157.7147.6-29.6-94.20000107.9
14T32.6Very low32.9Very low130 Ų130137.1 Ų137.180%0.79877%0.766SS**  trans67.1137.7164.3-61.70000116.9
15M30.9Very low32.8Very low160 Ų160133.7 Ų133.779%0.78877%0.766SS**  cis-152.4153.2-15.4-113.8-179.6179.800108.1
16V30.1Very low32.6Very low140 Ų140134.8 Ų134.885%0.84878%0.776SS**  41.9123.495.6-173.30000116.1
17G31.5Very low32.8Very low79 Ų79133.9 Ų133.981%0.81478%0.778SS**  trans-174.9135.116800000111.2
18E31.4Very low33.1Very low200 Ų200131.7 Ų131.794%0.93578%0.777SS**  trans-131151-167.8-154.1-168.9156.500112.5
19G30Very low33.2Very low80 Ų80132.2 Ų132.283%0.82578%0.782SS**  trans75.6161.8174.400000115.7
20G29.5Very low33.2Very low66 Ų66134.9 Ų134.968%0.6879%0.792SS**  cis164.3154.8-5.900000111.1
21S28.3Very low33.8Very low119 Ų119139.7 Ų139.783%0.83280%0.803SS**  trans64156.3176.888.70000116.4
22T30.3Very low34.4Very low116 Ų116141.7 Ų141.771%0.71281%0.81SS**  cis-156.3161.9-15.53.80000109.8
23E29.6Very low34.5Very low186 Ų186136.7 Ų136.787%0.86981%0.807SS**  trans29.8133.6155.9-60.8-175.9122.300122.7
24D31.9Very low35.8Very low166 Ų166140.7 Ų140.789%0.88881%0.811SS**  trans-146.9157.5149-164.212000111.5
25T34.1Very low36.5Very low117 Ų117143.6 Ų143.672%0.71881%0.813SS**  trans-118.7146-160.7-61.50000114.6
26T34.4Very low37.3Very low130 Ų130141.6 Ų141.680%0.79882%0.815SS**  trans-43.2129.6178.2-66.10000114.3
27P43.5Very low38.3Very low110 Ų110140.2 Ų140.271%0.71481%0.807SS**  -155.6-162.389.940.5-17.6000115.2
28P45.5Very low39.4Very low113 Ų113143.6 Ų143.673%0.73481%0.805SS**  -123-137.2-70.742.9-26.6000112.8
29P40.8Very low40.5Very low115 Ų115137.8 Ų137.875%0.74780%0.799SS**  trans-114.7127.7-132.631.1-9.4000116.3R31P29-R31 PolarHBondContact O-N 3.3Å
30K35.4Very low42Very low207 Ų207142.5 Ų142.590%0.980%0.796SS**  trans-83115.2174-76.8179.5178.2171.60113
31R46.5Very low43.5Very low245 Ų245145.7 Ų145.793%0.92580%0.796SS**  trans-54.3128.7177-71.6153.158.8-179.5-1.2111.8P29 G33P29-R31 PolarHBondContact O-N 3.3Å; R31-G33 PolarHBondContact O-N 3.46Å
32K42.4Very low44.5Very low213 Ų213148.9 Ų148.993%0.92680%0.796SS**  trans-78101.6-179.9-65.8-173.6180179.80111.7
33G37Very low45.8Very low75 Ų75151.5 Ų151.577%0.77380%0.797SS**  trans-76.3127.417200000112.4R31R31-G33 PolarHBondContact O-N 3.46Å
34K57.2Low46.9Very low187 Ų187147.1 Ų147.181%0.81379%0.785SS**  trans-51.7137.7163.1-56.1142-173.4179.80107.2
35F45.8Very low47.7Very low192 Ų192149.6 Ų149.684%0.84278%0.782SS**  cis-145.9138.148.8-57-94.5000112.6
36S48.5Very low48.8Very low118 Ų118152.3 Ų152.383%0.82578%0.784SS**  trans-129.926.7172.7-158.30000112.3
37T51.8Low49.5Very low111 Ų111156.8 Ų156.868%0.68179%0.786SS**  trans-102.9-18.6-162.9-37.90000114
38I54.2Low50.1Low150 Ų150162.8 Ų162.877%0.76980%0.795SS**SBendtrans-83.2-21.6-173-81.2171.3000113.8K40I38-K40 PolarHBondContact O-N 3.17Å
39G54.6Low50.4Low78 Ų78162.1 Ų162.180%0.80478%0.78SS**THydrogen-bonded Turntrans-72.822.9-176.900000117
40K61.7Low51.4Low178 Ų178164.5 Ų164.577%0.77478%0.779SS**THydrogen-bonded Turntrans-131.4-2.7-171.8-72.5-176178.7174.90116.3I38I38-K40 PolarHBondContact O-N 3.17Å
41I60Low52.2Low133 Ų133163.6 Ų163.668%0.68278%0.775SS**SBendtrans-83.7-24.2-171.5-60178.5000113
42F49Very low52.2Low187 Ų187157.7 Ų157.782%0.8277%0.771SS**  trans-110.972179-73.8-83.2000113.3
43K57.9Low53Low170 Ų170150.4 Ų150.474%0.73975%0.747SS**  trans-135.865.5157.4-74.9-172.4175.5167.90110.7W45K43-W45 PolarHBondContact O-N 2.86Å
44P53.6Low54.1Low95 Ų95154.9 Ų154.962%0.61775%0.748SS**  trans-55.6138.4168.725.6-33.2000110
45W48.1Very low54.3Low217 Ų217153.4 Ų153.482%0.82274%0.741SS**  trans60.265.5162.7-61.354.8000116.1K43 W47K43-W45 PolarHBondContact O-N 2.86Å; W45-W47 HydrophobicContact CE3-CZ2 4.36Å; W45-W47 HydrophobicContact CZ3-CZ2 4.31Å
46K57.9Low55.1Low175 Ų175150.6 Ų150.676%0.76173%0.729SS**  trans-111.996.4157.6-59.6-146.971.7152.30110.9R48K46-R48 PolarHBondContact O-N 3.39Å
47W47.9Very low55.9Low223 Ų223152.2 Ų152.285%0.84572%0.721SS**  trans-57.1103177.7-65.399000111.9W45 K49W45-W47 HydrophobicContact CE3-CZ2 4.36Å; W45-W47 HydrophobicContact CZ3-CZ2 4.31Å; W47-K49 PolarHBondContact O-N 2.88Å
48R56.2Low56.7Low236 Ų236152.2 Ų152.289%0.89171%0.714SS**  trans-87.592.8179.2-154.9-178.4-158.3-121.95.1108.9K46 K50K46-R48 PolarHBondContact O-N 3.39Å; R48-K50 PolarHBondContact O-N 2.98Å
49K52.3Low57.6Low99 Ų99148.5 Ų148.543%0.4370%0.698SS.*  trans-39.7108.2175.3-176.8174.4-179.6178.30110.2W47 Y99 K101W47-K49 PolarHBondContact O-N 2.88Å; K49-Y99 VanDerWaalsContact NZ-CE2 3.32Å; K49-K101 HydrophobicContact CB-CD 4.49Å; K49-K101 HydrophobicContact CD-CD 4Å; K49-K101 HydrophobicContact CD-CG 3.92Å
50K60.3Low58.3Low166 Ų166146.8 Ų146.872%0.72267%0.674SS**  trans-64.1137.6179.3-158.4178.1-179.6-173.70107.3R48R48-K50 PolarHBondContact O-N 2.98Å
51K52.5Low58.4Low187 Ų187142.3 Ų142.381%0.81366%0.655SS**  trans-65.5141.5164.6-71.9-170.6174.6-170.80107.2S53K51-S53 PolarHBondContact O-N 2.84Å
52S46.8Very low58.8Low121 Ų121140.2 Ų140.285%0.84664%0.643SS**  trans-58.7109.2168.543.30000107.9E54S52-E54 PolarHBondContact O-N 2.66Å
53S59.9Low59.5Low60 Ų60137 Ų13742%0.4263%0.633SS.*  trans-74.6122.2173.3176.30000107.1K51 K55 F56 K57K51-S53 PolarHBondContact O-N 2.84Å; S53-K55 VanDerWaalsContact C-N 3.25Å; S53-K55 PolarHBondContact O-N 3.01Å; S53-F56 WeakPolarHBondContact O-CA 3.25Å; S53-F56 WeakPolarHBondContact O-CB 3.45Å; S53-F56 PolarHBondContact O-N 2.64Å; S53-K57 PolarHBondContact O-N 3.19Å
54E59.9Low59.9Low169 Ų169134 Ų13479%0.7962%0.622SS**Hα-helixtrans-51.3-49.4173-172.5166.7-153.300110.2S52 F56 K57 E58S52-E54 PolarHBondContact O-N 2.66Å; E54-F56 PolarHBondContact O-N 3.43Å; E54-K57 WeakPolarHBondContact O-CA 3.23Å; E54-K57 WeakPolarHBondContact O-CB 3.13Å; E54-K57 PolarHBondContact O-N 2.87Å; E54-E58 WeakPolarHBondContact O-CB 3.44Å; E54-E58 PolarHBondContact O-N 3.26Å
55K61.6Low60.6Low156 Ų156136.7 Ų136.768%0.67862%0.62SS**Hα-helixtrans-59.4-8.1171.4-55.9-155.3172.8-152.80116.6S53 E58 T59S53-K55 VanDerWaalsContact C-N 3.25Å; S53-K55 PolarHBondContact O-N 3.01Å; K55-E58 WeakPolarHBondContact CA-OE2 3.21Å; K55-T59 WeakPolarHBondContact O-CG2 3.02Å; K55-T59 PolarHBondContact O-OG1 2.84Å; K55-T59 VanDerWaalsContact O-OG1 3.09Å
56F62.6Low61.2Low134 Ų134132 Ų13259%0.58861%0.606SS**Hα-helixtrans-96.7-29.1172.4-163.7-87.9000111.4S53 E54 T59 S60S53-F56 WeakPolarHBondContact O-CA 3.25Å; S53-F56 WeakPolarHBondContact O-CB 3.45Å; S53-F56 PolarHBondContact O-N 2.64Å; E54-F56 PolarHBondContact O-N 3.43Å; F56-T59 VanDerWaalsContact CA-OG1 3.29Å; F56-T59 WeakPolarHBondContact CA-OG1 3.46Å; F56-T59 PolarHBondContact O-OG1 3.39Å; F56-S60 PolarHBondContact O-N 3.03Å
57K65.8Low60.6Low151 Ų151130.3 Ų130.366%0.65760%0.602SS**Hα-helixtrans-73.7-46.5170.9-139.2-167.3-179.5-147.30110.2S53 E54 T59 S60 E61S53-K57 PolarHBondContact O-N 3.19Å; E54-K57 WeakPolarHBondContact O-CA 3.23Å; E54-K57 WeakPolarHBondContact O-CB 3.13Å; E54-K57 PolarHBondContact O-N 2.87Å; K57-T59 VanDerWaalsContact C-N 3.31Å; K57-T59 PolarHBondContact O-N 2.9Å; K57-S60 PolarHBondContact O-N 2.95Å; K57-S60 PolarHBondContact O-OG 3.44Å; K57-E61 WeakPolarHBondContact O-CB 3.43Å; K57-E61 PolarHBondContact O-N 3.01Å
58E68.7Low60.7Low111 Ų111123 Ų12352%0.51959%0.585SS.*Hα-helixtrans-52.3-47.1170-173.9-179.2-152.300111.3E54 K55 E62E54-E58 WeakPolarHBondContact O-CB 3.44Å; E54-E58 PolarHBondContact O-N 3.26Å; K55-E58 WeakPolarHBondContact CA-OE2 3.21Å; E58-E62 WeakPolarHBondContact O-CB 3.46Å; E58-E62 PolarHBondContact O-N 3.02Å
59T71.4Confident60.1Low73 Ų73117.7 Ų117.745%0.44858%0.579SS.*Hα-helixtrans-72.4-26.2176.256.30000114.5K55 F56 K57 L63K55-T59 WeakPolarHBondContact O-CG2 3.02Å; K55-T59 PolarHBondContact O-OG1 2.84Å; K55-T59 VanDerWaalsContact O-OG1 3.09Å; F56-T59 VanDerWaalsContact CA-OG1 3.29Å; F56-T59 WeakPolarHBondContact CA-OG1 3.46Å; F56-T59 PolarHBondContact O-OG1 3.39Å; K57-T59 VanDerWaalsContact C-N 3.31Å; K57-T59 PolarHBondContact O-N 2.9Å; T59-L63 VanDerWaalsContact O-CB 3.28Å; T59-L63 WeakPolarHBondContact O-CB 3.5Å; T59-L63 PolarHBondContact O-N 3.2Å
60S69.3Low60.3Low41 Ų41123.2 Ų123.229%0.28760%0.597SS.*Hα-helixtrans-74.5-42.117465.10000110.4F56 K57 E62 L63 E64F56-S60 PolarHBondContact O-N 3.03Å; K57-S60 PolarHBondContact O-N 2.95Å; K57-S60 PolarHBondContact O-OG 3.44Å; S60-E62 VanDerWaalsContact C-N 3.34Å; S60-E62 PolarHBondContact O-N 3.17Å; S60-L63 CarbonylContact O-C 3.55Å; S60-L63 WeakPolarHBondContact O-CA 3.42Å; S60-L63 WeakPolarHBondContact O-CB 3.49Å; S60-L63 PolarHBondContact O-N 3.44Å; S60-E64 WeakPolarHBondContact O-CB 3.21Å; S60-E64 VanDerWaalsContact O-CG 3.29Å; S60-E64 WeakPolarHBondContact O-CG 3.18Å; S60-E64 PolarHBondContact O-N 3.05Å
61E64.3Low60.5Low84 Ų84121.4 Ų121.439%0.39359%0.585SS.*Hα-helixtrans-67.2-32.5177.1-149.3-173.4130.500111.9K57 R65K57-E61 WeakPolarHBondContact O-CB 3.43Å; K57-E61 PolarHBondContact O-N 3.01Å; E61-R65 VanDerWaalsContact C-NH1 3.3Å; E61-R65 VanDerWaalsContact O-CG 3.3Å; E61-R65 WeakPolarHBondContact O-CG 3.5Å; E61-R65 PolarHBondContact O-N 2.92Å; E61-R65 VanDerWaalsContact O-N 3.12Å; E61-R65 PolarHBondContact O-NH1 3.12Å; E61-R65 VanDerWaalsContact O-NH1 3.11Å; E61-R65 IonicContact OE1-CZ 3.49Å; E61-R65 IonicContact OE1-NH1 2.91Å; E61-R65 PolarHBondContact OE1-NH1 3.26Å; E61-R65 IonicContact OE1-NH2 2.66Å; E61-R65 PolarHBondContact OE1-NH2 2.94Å
62E69.4Low61.6Low90 Ų90115 Ų11542%0.42156%0.563SS.*Hα-helixtrans-78.2-26.4169.2-160.3-177.1167.900112.6E58 S60 K66E58-E62 WeakPolarHBondContact O-CB 3.46Å; E58-E62 PolarHBondContact O-N 3.02Å; S60-E62 VanDerWaalsContact C-N 3.34Å; S60-E62 PolarHBondContact O-N 3.17Å; E62-K66 VanDerWaalsContact CD-NZ 3.34Å; E62-K66 HydrophobicContact CG-CD 4.33Å; E62-K66 WeakPolarHBondContact O-CB 3.33Å; E62-K66 VanDerWaalsContact O-CG 3.27Å; E62-K66 WeakPolarHBondContact O-CG 3.18Å; E62-K66 PolarHBondContact O-N 3.22Å; E62-K66 WeakPolarHBondContact OE1-CE 3.33Å; E62-K66 IonicContact OE1-NZ 3.64Å; E62-K66 PolarHBondContact OE1-NZ 3.43Å
63L62.3Low62.5Low118 Ų118115 Ų11562%0.61854%0.544SS*.Hα-helixtrans-68.4-41.3169.4-157.683000110.8T59 S60 K66 M67T59-L63 VanDerWaalsContact O-CB 3.28Å; T59-L63 WeakPolarHBondContact O-CB 3.5Å; T59-L63 PolarHBondContact O-N 3.2Å; S60-L63 CarbonylContact O-C 3.55Å; S60-L63 WeakPolarHBondContact O-CA 3.42Å; S60-L63 WeakPolarHBondContact O-CB 3.49Å; S60-L63 PolarHBondContact O-N 3.44Å; L63-K66 CarbonylContact O-C 3.49Å; L63-K66 WeakPolarHBondContact O-CA 3.3Å; L63-K66 PolarHBondContact O-N 2.73Å; L63-M67 WeakPolarHBondContact O-CG 3.41Å; L63-M67 PolarHBondContact O-N 3.4Å
64E67.1Low62.9Low109 Ų109117.9 Ų117.951%0.50955%0.551SS.*Hα-helixtrans-59.9-46.3174.6-75153.6-161.400110.7S60 K66 M67 S68S60-E64 WeakPolarHBondContact O-CB 3.21Å; S60-E64 VanDerWaalsContact O-CG 3.29Å; S60-E64 WeakPolarHBondContact O-CG 3.18Å; S60-E64 PolarHBondContact O-N 3.05Å; E64-K66 VanDerWaalsContact C-N 3.25Å; E64-K66 PolarHBondContact O-N 2.75Å; E64-M67 HydrophobicContact CG-SD 4.41Å; E64-M67 WeakPolarHBondContact O-CG 3.48Å; E64-S68 PolarHBondContact O-N 2.84Å
65R68.1Low63.7Low151 Ų151113.3 Ų113.357%0.5753%0.529SS*.Hα-helixtrans-63.2-24.9170.4-68.6174.3-169.6103.5-6114.1E61 S68E61-R65 VanDerWaalsContact C-NH1 3.3Å; E61-R65 VanDerWaalsContact O-CG 3.3Å; E61-R65 WeakPolarHBondContact O-CG 3.5Å; E61-R65 PolarHBondContact O-N 2.92Å; E61-R65 VanDerWaalsContact O-N 3.12Å; E61-R65 PolarHBondContact O-NH1 3.12Å; E61-R65 VanDerWaalsContact O-NH1 3.11Å; E61-R65 IonicContact OE1-CZ 3.49Å; E61-R65 IonicContact OE1-NH1 2.91Å; E61-R65 PolarHBondContact OE1-NH1 3.26Å; E61-R65 IonicContact OE1-NH2 2.66Å; E61-R65 PolarHBondContact OE1-NH2 2.94Å; R65-S68 WeakPolarHBondContact O-CB 3.29Å
66K61.6Low64.4Low119 Ų119108.6 Ų108.652%0.51751%0.511SS..Hα-helixtrans-92.7-26.6-179.9-76.1173.2-176.1169.70114E62 L63 E64 T69E62-K66 VanDerWaalsContact CD-NZ 3.34Å; E62-K66 HydrophobicContact CG-CD 4.33Å; E62-K66 WeakPolarHBondContact O-CB 3.33Å; E62-K66 VanDerWaalsContact O-CG 3.27Å; E62-K66 WeakPolarHBondContact O-CG 3.18Å; E62-K66 PolarHBondContact O-N 3.22Å; E62-K66 WeakPolarHBondContact OE1-CE 3.33Å; E62-K66 IonicContact OE1-NZ 3.64Å; E62-K66 PolarHBondContact OE1-NZ 3.43Å; L63-K66 CarbonylContact O-C 3.49Å; L63-K66 WeakPolarHBondContact O-CA 3.3Å; L63-K66 PolarHBondContact O-N 2.73Å; E64-K66 VanDerWaalsContact C-N 3.25Å; E64-K66 PolarHBondContact O-N 2.75Å; K66-T69 WeakPolarHBondContact O-CB 3.13Å; K66-T69 PolarHBondContact O-N 3.18Å; K66-T69 PolarHBondContact O-OG1 3.45Å
67M45.2Very low65.3Low138 Ų138103.5 Ų103.568%0.6849%0.49SS*.Hα-helixtrans-70.1-23.416659.4-167.4-81.800111.6L63 E64 T69 R70L63-M67 WeakPolarHBondContact O-CG 3.41Å; L63-M67 PolarHBondContact O-N 3.4Å; E64-M67 HydrophobicContact CG-SD 4.41Å; E64-M67 WeakPolarHBondContact O-CG 3.48Å; M67-T69 PolarHBondContact O-N 3.11Å; M67-R70 PolarHBondContact O-N 2.89Å
68S49.8Very low65.9Low69 Ų69104.1 Ų104.148%0.48350%0.495SS..THydrogen-bonded Turntrans-64.96.4166.2-164.40000115.1E64 R65 R70E64-S68 PolarHBondContact O-N 2.84Å; R65-S68 WeakPolarHBondContact O-CB 3.29Å; S68-R70 CarbonylContact C-O 3.59Å; S68-R70 PolarHBondContact O-N 3.12Å
69T43.7Very low66.2Low125 Ų125104.1 Ų104.177%0.76750%0.495SS*.THydrogen-bonded Turntrans-78.4-1.9166.6-33.60000112.2K66 M67K66-T69 WeakPolarHBondContact O-CB 3.13Å; K66-T69 PolarHBondContact O-N 3.18Å; K66-T69 PolarHBondContact O-OG1 3.45Å; M67-T69 PolarHBondContact O-N 3.11Å
70R55.4Low66.2Low215 Ų215103.8 Ų103.881%0.81151%0.506SS*.SBendtrans-97.8148.6157.5-62.6-177.1178-154-2.9107.7M67 S68 T72M67-R70 PolarHBondContact O-N 2.89Å; S68-R70 CarbonylContact C-O 3.59Å; S68-R70 PolarHBondContact O-N 3.12Å; R70-T72 PolarHBondContact O-N 2.87Å
71R66.1Low66.4Low128 Ų128107.8 Ų107.848%0.48352%0.524SS..PPolyproline II helixtrans-46.7138.1-178.5-79.6-168.9177154.4-7111.6E75 L76R71-E75 WeakPolarHBondContact CA-OE2 3.38Å; R71-E75 HydrophobicContact CB-CB 4.19Å; R71-E75 HydrophobicContact CG-CB 4.44Å; R71-E75 IonicContact NE-OE1 2.76Å; R71-L76 HydrophobicContact CB-CD2 4.21Å; R71-L76 HydrophobicContact CB-CG 4.3Å
72T74.9Confident66.2Low54 Ų54107.4 Ų107.433%0.33152%0.524SS..PPolyproline II helixtrans-62.3156.5-179.861.20000111R70 Q74 E75 L76R70-T72 PolarHBondContact O-N 2.87Å; T72-Q74 PolarHBondContact O-N 3.07Å; T72-E75 PolarHBondContact N-OE2 3.05Å; T72-E75 PolarHBondContact O-N 3.37Å; T72-E75 WeakPolarHBondContact OG1-CG 3.26Å; T72-E75 PolarHBondContact OG1-N 2.59Å; T72-E75 PolarHBondContact OG1-OE2 2.92Å; T72-L76 WeakPolarHBondContact O-CG 3.44Å; T72-L76 PolarHBondContact O-N 3.01Å; T72-L76 VanDerWaalsContact O-N 3.16Å
73R66.3Low65.8Low119 Ų119112 Ų11245%0.44954%0.542SS..Hα-helixtrans-52.2-38.9172-173.7-169.1174.8-162.33.9111.1L76 I77 L82 D87R73-L76 PolarHBondContact O-N 3.09Å; R73-I77 HydrophobicContact CG-CD1 4.03Å; R73-I77 WeakPolarHBondContact O-CG1 3.38Å; R73-I77 PolarHBondContact O-N 3.27Å; R73-L82 HydrophobicContact CG-CD2 3.66Å; R73-D87 IonicContact CZ-OD2 3.89Å; R73-D87 IonicContact NH1-OD2 3.27Å; R73-D87 PolarHBondContact NH1-OD2 3.09Å; R73-D87 IonicContact NH2-OD2 2.69Å; R73-D87 PolarHBondContact NH2-OD2 3.36Å
74Q67.1Low65.8Low121 Ų121112.7 Ų112.757%0.56554%0.543SS*.Hα-helixtrans-63.2-49.2179-144.270.616.800112.3T72 L76 I77 E78T72-Q74 PolarHBondContact O-N 3.07Å; Q74-L76 PolarHBondContact O-N 3.37Å; Q74-I77 PolarHBondContact O-N 2.89Å; Q74-I77 VanDerWaalsContact O-N 3.12Å; Q74-E78 WeakPolarHBondContact O-CB 3.49Å; Q74-E78 PolarHBondContact O-N 2.88Å
75E77.5Confident65.2Low73 Ų73111.5 Ų111.534%0.34154%0.543SS..Hα-helixtrans-61.1-32176.1-74.516896.300112.9R71 T72 Q79R71-E75 WeakPolarHBondContact CA-OE2 3.38Å; R71-E75 HydrophobicContact CB-CB 4.19Å; R71-E75 HydrophobicContact CG-CB 4.44Å; R71-E75 IonicContact NE-OE1 2.76Å; T72-E75 PolarHBondContact N-OE2 3.05Å; T72-E75 PolarHBondContact O-N 3.37Å; T72-E75 WeakPolarHBondContact OG1-CG 3.26Å; T72-E75 PolarHBondContact OG1-N 2.59Å; T72-E75 PolarHBondContact OG1-OE2 2.92Å; E75-Q79 WeakPolarHBondContact O-CB 3.45Å; E75-Q79 WeakPolarHBondContact O-CG 3.45Å; E75-Q79 PolarHBondContact O-N 2.89Å
76L75.9Confident64.2Low57 Ų57110.2 Ų110.230%0.29855%0.554SS.*Hα-helixtrans-74.3-31.6177-64.6175.1000112.1R71 T72 R73 Q74 G80 L81 L82R71-L76 HydrophobicContact CB-CD2 4.21Å; R71-L76 HydrophobicContact CB-CG 4.3Å; T72-L76 WeakPolarHBondContact O-CG 3.44Å; T72-L76 PolarHBondContact O-N 3.01Å; T72-L76 VanDerWaalsContact O-N 3.16Å; R73-L76 PolarHBondContact O-N 3.09Å; Q74-L76 PolarHBondContact O-N 3.37Å; L76-G80 PolarHBondContact O-N 3.17Å; L76-L81 HydrophobicContact CD2-CB 4.44Å; L76-L81 HydrophobicContact CD2-CD1 4.2Å; L76-L81 PolarHBondContact O-N 2.65Å; L76-L82 HydrophobicContact CB-CB 3.93Å; L76-L82 HydrophobicContact CB-CD2 4.46Å; L76-L82 PolarHBondContact O-N 2.98Å
77I81.2Confident63Low28 Ų28109.3 Ų109.314%0.14456%0.555CS.*Hα-helixtrans-70.6-47.1171.1-68.6163.7000110.4R73 Q74 Q79 G80 L82 E84R73-I77 HydrophobicContact CG-CD1 4.03Å; R73-I77 WeakPolarHBondContact O-CG1 3.38Å; R73-I77 PolarHBondContact O-N 3.27Å; Q74-I77 PolarHBondContact O-N 2.89Å; Q74-I77 VanDerWaalsContact O-N 3.12Å; I77-Q79 VanDerWaalsContact C-N 3.26Å; I77-Q79 PolarHBondContact O-N 3.38Å; I77-G80 PolarHBondContact O-N 3.32Å; I77-L82 WeakPolarHBondContact CA-O 3.36Å; I77-L82 HydrophobicContact CG1-CB 4.13Å; I77-L82 HydrophobicContact CG1-CD2 4.21Å; I77-L82 HydrophobicContact CG1-CG 4.21Å; I77-E84 HydrophobicContact CG2-CB 3.82Å; I77-E84 HydrophobicContact CG2-CG 4.21Å
78E78.4Confident62.3Low163 Ų163110.4 Ų110.476%0.76256%0.563SS**Hα-helixtrans-63-30.1179.5-169.9175.4-163.200112.8Q74Q74-E78 WeakPolarHBondContact O-CB 3.49Å; Q74-E78 PolarHBondContact O-N 2.88Å
79Q75.2Confident61.5Low111 Ų111114.7 Ų114.752%0.51958%0.581SS.*THydrogen-bonded Turntrans-89.38.6171.6-64.1-158.1-10.300114.6E75 I77 L81E75-Q79 WeakPolarHBondContact O-CB 3.45Å; E75-Q79 WeakPolarHBondContact O-CG 3.45Å; E75-Q79 PolarHBondContact O-N 2.89Å; I77-Q79 VanDerWaalsContact C-N 3.26Å; I77-Q79 PolarHBondContact O-N 3.38Å; Q79-L81 HydrophobicContact CB-CD1 4.27Å; Q79-L81 HydrophobicContact CB-CG 4.42Å; Q79-L81 PolarHBondContact O-N 2.9Å; Q79-L81 VanDerWaalsContact O-N 3.14Å
80G72.4Confident60.9Low66 Ų66112.3 Ų112.368%0.6858%0.581SS**THydrogen-bonded Turntrans67.110.2177.400000115.2L76 I77L76-G80 PolarHBondContact O-N 3.17Å; I77-G80 PolarHBondContact O-N 3.32Å
81L72.2Confident59.5Low126 Ų126111.8 Ų111.866%0.6659%0.588SS**SBendtrans-84.2-12.9179.8-67.5170.1000112.7L76 Q79L76-L81 HydrophobicContact CD2-CB 4.44Å; L76-L81 HydrophobicContact CD2-CD1 4.2Å; L76-L81 PolarHBondContact O-N 2.65Å; Q79-L81 HydrophobicContact CB-CD1 4.27Å; Q79-L81 HydrophobicContact CB-CG 4.42Å; Q79-L81 PolarHBondContact O-N 2.9Å; Q79-L81 VanDerWaalsContact O-N 3.14Å
82L59.7Low58Low76 Ų76109.8 Ų109.840%0.39860%0.598SS.*SBendtrans-138.8134.8176.1-175.263.9000109.2R73 L76 I77R73-L82 HydrophobicContact CG-CD2 3.66Å; L76-L82 HydrophobicContact CB-CB 3.93Å; L76-L82 HydrophobicContact CB-CD2 4.46Å; L76-L82 PolarHBondContact O-N 2.98Å; I77-L82 WeakPolarHBondContact CA-O 3.36Å; I77-L82 HydrophobicContact CG1-CB 4.13Å; I77-L82 HydrophobicContact CG1-CD2 4.21Å; I77-L82 HydrophobicContact CG1-CG 4.21Å
83K62.4Low56Low185 Ų185115.7 Ų115.780%0.80462%0.622SS**  trans-75.4133.1178.7-162.2170.5-176.1177.20110.1
84E61.3Low54.1Low134 Ų134115.7 Ų115.763%0.62663%0.631SS**  trans-65.2134.8175-167.5167-137.700110.5I77I77-E84 HydrophobicContact CG2-CB 3.82Å; I77-E84 HydrophobicContact CG2-CG 4.21Å
85V55.4Low52.3Low84 Ų84115.3 Ų115.351%0.50964%0.637SS.*  trans-127.3124173.4178.50000106.2D87V85-D87 PolarHBondContact O-N 3.34Å
86P46.1Very low50Low124 Ų124120.8 Ų120.881%0.80566%0.66SS**  trans-78.187.9-172.230.7-35.4000111.8
87D37.2Very low47.7Very low100 Ų100127.7 Ų127.754%0.53569%0.691SS.*  trans-79.8115.7168.6-56.9-59.7000109.5R73 V85R73-D87 IonicContact CZ-OD2 3.89Å; R73-D87 IonicContact NH1-OD2 3.27Å; R73-D87 PolarHBondContact NH1-OD2 3.09Å; R73-D87 IonicContact NH2-OD2 2.69Å; R73-D87 PolarHBondContact NH2-OD2 3.36Å; V85-D87 PolarHBondContact O-N 3.34Å
88N30.1Very low45.2Very low161 Ų161132 Ų13286%0.86172%0.723SS**  trans-114.889.1-173.2-170.7-1.8000111.2
89D32.2Very low42.7Very low159 Ų159131.1 Ų131.185%0.8571%0.714SS**  trans-101.5108.9-173.4-88.4-31.3000113.8
90G32Very low40.5Very low75 Ų75132.2 Ų132.277%0.77373%0.727SS**  97.5136.5127.400000120.4
91E26.9Very low38.5Very low204 Ų204133.7 Ų133.795%0.95372%0.715SS**  trans-143.9160.5130.9-143.1-178.1-144.500109.8
92A33.1Very low36.7Very low85 Ų85134.1 Ų134.170%0.70272%0.718SS**  trans-155.6165.6-163.600000116.4
93Q33.3Very low35.3Very low178 Ų178133.8 Ų133.883%0.83273%0.734SS**  trans84.9155167.3-45.5-16426.700115.8
94N26.8Very low33.9Very low120 Ų120134.2 Ų134.264%0.64274%0.738SS**  cis-133.6168.712.1-144.5-97.2000107.6
95V28.8Very low32.4Very low113 Ų113134.1 Ų134.169%0.68575%0.746SS**  -163.6140.350.6176.70000111.7
96K30.5Very low31.8Very low188 Ų188138 Ų13882%0.81776%0.763SS**  trans19.3126.8159.4-57166-178167.10120.6
97Q27.2Very low31.5Very low202 Ų202137.5 Ų137.594%0.94476%0.76SS**  -146.2176.7125.1-121.2-170.645.200113.2
98S27.3Very low31Very low118 Ų118139.1 Ų139.183%0.82577%0.773SS**  trans-116.2179.2-15756.30000115.2
99Y25.7Very low30.9Very low145 Ų145137.3 Ų137.357%0.56977%0.773SS**  trans-102.5128.3-154.3163.1-82.5000115.3K49K49-Y99 VanDerWaalsContact NZ-CE2 3.32Å
100V30Very low30.6Very low133 Ų133133.1 Ų133.181%0.80677%0.768SS**  trans179.1166.3138.8-91.90000110.3
101K30.6Very low30.4Very low98 Ų98133.8 Ų133.843%0.42678%0.775SS.*  -173.1131.9-50.6165.5175171.9-175.30111.5K49K49-K101 HydrophobicContact CB-CD 4.49Å; K49-K101 HydrophobicContact CD-CD 4Å; K49-K101 HydrophobicContact CD-CG 3.92Å
102N33.7Very low30.8Very low134 Ų134128.3 Ų128.372%0.71777%0.773SS**  trans72.5153.2179.3-49.9-18.8000113.5
103G30.2Very low30.9Very low70 Ų70128.3 Ų128.372%0.72278%0.782SS**  cis179.9167.5-5.300000110.7
104H32.9Very low31Very low194 Ų194124 Ų12490%0.89879%0.785SS**  trans-47.4146.1-178.7-55.6-74.7000113.3
105T29.5Very low31.3Very low131 Ų131122.3 Ų122.380%0.80480%0.795SS**  cis-145.617047.247.30000114.5
106L44.2Very low31.5Very low165 Ų165120.9 Ų120.986%0.86480%0.804SS**  trans-61.7149.7165-58.9176.5000110.4
107P39.5Very low31.5Very low114 Ų114116.1 Ų116.174%0.7481%0.808SS**  -152.717982.442.1-23.6000117.3
108V26.6Very low31.7Very low134 Ų134110.4 Ų110.481%0.81280%0.804SS**  trans72.8111.1143.8155.90000121.2
109S27.4Very low31.7Very low123 Ų123108 Ų10886%0.8680%0.797SS**  trans66.5164.8133.2-154.90000122.1
110G27.5Very low32Very low72 Ų72107.5 Ų107.574%0.74281%0.809SS**  trans87.188.9158.900000116.3
111G27.1Very low32Very low88 Ų88109.2 Ų109.291%0.90781%0.812SS**  trans-86.4-168.3175.300000115
112G34.1Very low31.9Very low89 Ų89110 Ų11092%0.91883%0.83SS**  trans129.6131.5167.100000114.4
113G35.1Very low31.6Very low86 Ų86109.9 Ų109.989%0.88784%0.839SS**  trans173.4110.717300000115.3
114G36.7Very low31.4Very low88 Ų88110 Ų11091%0.90784%0.84SS**  trans112.7119.8170.300000113.7
115G33.2Very low31.2Very low83 Ų83112.7 Ų112.786%0.85684%0.842SS**  cis-165.3-175.9-5.900000109.9
116G32.6Very low31.1Very low83 Ų83111.4 Ų111.486%0.85684%0.839SS**  cis165.9-178.7-2.500000111.3
117G31.2Very low31.3Very low88 Ų88109.7 Ų109.791%0.90784%0.838SS**  trans104.8138.7160.600000118.6
118G30.4Very low30.6Very low83 Ų83107.3 Ų107.386%0.85683%0.834SS**  trans108.896146.100000120.2
119G28.6Very low30.7Very low66 Ų66108.1 Ų108.168%0.6883%0.833SS**  98.9106.3120.400000122.1
120V30.9Very low30.7Very low135 Ų135110.3 Ų110.382%0.81883%0.83SS**  trans67.8131.8131.7-60.40000124.7
121I31Very low30.7Very low170 Ų170112.8 Ų112.887%0.87283%0.831SS**  trans68.7133.2151.463.7168.6000123.6
122S28.1Very low30.7Very low115 Ų115117.8 Ų117.880%0.80483%0.827SS**  trans-81.6139.8-172.7-42.10000115.3
123S26.1Very low30.4Very low131 Ų131121.1 Ų121.192%0.91682%0.823SS**  trans162.1150.7137.9-74.90000109.3
124G26.9Very low30.7Very low71 Ų71123 Ų12373%0.73282%0.82SS**  cis162.398.8-4.600000112.2
125R28.6Very low30.3Very low251 Ų251122 Ų12295%0.94781%0.809SS**  trans61.9138.8159-152.2169.8-172.7-117.66.3119.7
126S26.8Very low30Very low105 Ų105126.8 Ų126.873%0.73481%0.81SS**  trans-62.1-179.8175.5-23.60000114.7
127P48.7Very low30Very low129 Ų129127.7 Ų127.784%0.83880%0.803SS**  cis-142-172.93.142.9-24.5000116.4
128G25.4Very low30Very low64 Ų64130.4 Ų130.466%0.6680%0.797SS**  trans138.2121.5134.500000121.5
129N27.9Very low29.9Very low150 Ų150136.4 Ų136.480%0.80280%0.799SS**  trans66.5125.4132.3-67.1-8.8000125.4
130Q27.6Very low30.1Very low169 Ų169143 Ų14379%0.7980%0.803SS**  trans78.9134.5131.3-76.4-164.496.200123.8
131V27.8Very low30.1Very low125 Ų125144 Ų14476%0.75880%0.802SS**  trans70.1143.8138.3165.40000117.9
132K28.3Very low30.1Very low192 Ų192144.4 Ų144.484%0.83580%0.799SS**  cis-167.8166.3-21.9-176169.7-179.7179.90108.3
133L26.4Very low31.3Very low160 Ų160145.3 Ų145.384%0.83880%0.802SS**  trans-56.1166.3170.2-65.6172.7000113.2
134P41.4Very low31.5Very low124 Ų124142.5 Ų142.581%0.80579%0.794SS**  cis-150.2-174.828.145.2-25000119.4
135G28Very low31.5Very low67 Ų67150.6 Ų150.669%0.69180%0.803SS**  trans90.9158.4145.300000119.4
136E26.7Very low31.6Very low185 Ų185146.6 Ų146.686%0.86480%0.799SS**  cis-153.9161.9-11.7-64.2-161.9124.500111.9
137S33Very low31.6Very low101 Ų101146.1 Ų146.171%0.70680%0.802SS**  trans45.8125.3151.663.70000124.5
138D31.1Very low30.6Very low146 Ų146146.9 Ų146.978%0.78179%0.794SS**  trans10.8141.9139.8-62.5-85.9000123.2
139F29.1Very low31.4Very low208 Ų208149.3 Ų149.391%0.91280%0.798SS**  -157.1158.8108.9-124.4-88.6000112.9
140R32.8Very low31.3Very low204 Ų204148.4 Ų148.477%0.7779%0.789SS**  trans-125.4138.8-173.3169.6-173.3-178.11742.3110.4
141M29.6Very low31.6Very low158 Ų158146.1 Ų146.178%0.77878%0.782SS**  trans-171.1143.8137.4-88.6-30.2141.400115.2
142H31.9Very low32Very low178 Ų178146.1 Ų146.182%0.82477%0.774SS**  trans-125.2160156.5-77.6-49.4000105.3
143P53.2Low32.2Very low133 Ų133147.2 Ų147.286%0.86477%0.773SS**  -154.6-157.75042.9-19.9000115.2
144G29.8Very low32.3Very low73 Ų73143.2 Ų143.275%0.75377%0.77SS**  trans14353.3144.300000123
145R27.9Very low31.7Very low240 Ų240148.6 Ų148.691%0.90677%0.774SS**  trans13.7126.8148.7-77.8-174.4177.4-171.8-0.3122.7
146L29.5Very low31.8Very low168 Ų168149.7 Ų149.788%0.8877%0.771SS**  77142.4117.5-152.485.8000122.4
147A27.8Very low32.9Very low95 Ų95146.3 Ų146.379%0.78577%0.765SS**  trans109.5146.8147.700000119.5
148Q28.5Very low32.9Very low144 Ų144146.3 Ų146.367%0.67377%0.766SS**  trans-89.8176179.8-143.9-151.32.500110.3E150Q148-E150 PolarHBondContact NE2-OE1 2.93Å
149P42.1Very low32.9Very low115 Ų115146.3 Ų146.375%0.74777%0.765SS**  -147.6-177.567.140.5-19.9000117.3
150E25.6Very low33.1Very low132 Ų132139.8 Ų139.862%0.61776%0.757SS**  trans-39.7176.2160.8-51.8-63.6144.300116Q148Q148-E150 PolarHBondContact NE2-OE1 2.93Å
151D33.4Very low33.1Very low120 Ų120135.7 Ų135.764%0.64275%0.751SS**  cis-170.3176.926.6-151.6-39.1000113.5
152H36.1Very low33.2Very low125 Ų125136.2 Ų136.258%0.57974%0.744SS**  trans94.5106.6147.7-60.7-16.2000123.1
153R33.3Very low33.2Very low216 Ų216138.3 Ų138.382%0.81575%0.745SS**  trans60.5134.2135.9-81.4169.1-93.2-108.8-6.6121.4
154G27.1Very low32.3Very low76 Ų76135.9 Ų135.978%0.78474%0.743SS**  cis130.1154.2-1200000115.9
155R28.4Very low32Very low236 Ų236136.8 Ų136.889%0.89174%0.744SS**  trans-164.7144.5159.9-143.8-175.8-170.5-90.35.5114.9
156S31.2Very low32Very low90 Ų90133.3 Ų133.363%0.62974%0.742SS**  trans74.6147.4157.1-74.60000119.5
157P49.8Very low31.9Very low114 Ų114131.7 Ų131.774%0.7474%0.743SS**  -147.4174.6-126.945.3-26.7000119.4
158S32Very low31.9Very low102 Ų102132.6 Ų132.671%0.71374%0.744SS**  trans58.7140.7135.2-171.60000120.7
159D31.7Very low31.9Very low145 Ų145137.8 Ų137.878%0.77576%0.758SS**  cis-157.2151.8-16.2-106.8-80.6000105.9
160G32.8Very low31.1Very low71 Ų71135.1 Ų135.173%0.73275%0.751SS**  82.614081.500000112.4
161D33.2Very low31.3Very low119 Ų119136 Ų13664%0.63677%0.765SS**  cis-171.3166.5-2.1177.620.4000108.7
162R32.4Very low31.1Very low169 Ų169133.7 Ų133.764%0.63877%0.77SS**  trans85.1129.6156.5-46.7-166-178.7-119.7-34.1124.1
163R31.5Very low31Very low222 Ų222135.9 Ų135.984%0.83879%0.785SS**  trans69.4146.8134.2-80.1-172.5-94.1-114.813.1120.7
164G33.4Very low30.7Very low81 Ų81134.2 Ų134.284%0.83579%0.786SS**  trans162.7132.6152.600000114.9
165A25.4Very low30.8Very low92 Ų92138.5 Ų138.576%0.7679%0.786SS**  trans-139.4168.6162.800000108.4
166L27.3Very low31.1Very low167 Ų167136.4 Ų136.487%0.87479%0.786SS**  trans66.7122177-52.4169.3000116.3
167C27.5Very low31.3Very low134 Ų134134.9 Ų134.991%0.90579%0.785SS**  -171.1162.3101.1-112.20000112.5
168S28.1Very low30.3Very low115 Ų115139.9 Ų139.980%0.80479%0.789SS**  trans-107174.2-171.5-45.10000113.2
169R27.3Very low30.6Very low253 Ų253144.5 Ų144.596%0.95579%0.791SS**  trans78.3126.8152.9-177.9-168.6-82.4-157.7-5.1117.5
170G26.5Very low30.7Very low59 Ų59143.1 Ų143.161%0.60879%0.792SS**  trans131.786.4136.300000117.7
171T29.9Very low30.7Very low150 Ų150143.8 Ų143.892%0.9280%0.8SS**  trans22.7114.8130.754.30000119
172G28.4Very low30.7Very low72 Ų72141.6 Ų141.674%0.74281%0.805SS**  trans164.6102.2157.700000117.3
173L33Very low30.8Very low170 Ų170142.6 Ų142.689%0.8982%0.822SS**  trans50.1124.8147.9-93.665.2000122
174H27.7Very low30.8Very low181 Ų181135.4 Ų135.484%0.83882%0.817SS**  77.4147.7129.4-150-87.3000119.7
175E30.1Very low31.9Very low166 Ų166137.6 Ų137.678%0.77682%0.817SS**  trans-71.9142.5169.4-87.5-156.395.400112
176E34.5Very low32.3Very low192 Ų192141.5 Ų141.590%0.89782%0.819SS**  -167.2131110.852.2-177.7174.500113.3
177G34.3Very low32.3Very low59 Ų59139.7 Ų139.761%0.60882%0.815SS**  trans103.498.2140.700000122.1
178W29.3Very low32.4Very low219 Ų219142.2 Ų142.283%0.8381%0.813SS**  trans55116.1132.7-59.198.7000123.5
179R38.7Very low32.4Very low199 Ų199139.4 Ų139.475%0.75180%0.802SS**  trans90.9124.8132.7-69.6177.8-169.7-78.7-0.3123.8
180S33.9Very low32.4Very low115 Ų115136.8 Ų136.880%0.80480%0.8SS**  trans86.197.3132.7-63.20000123.3
181G33.3Very low32.5Very low86 Ų86139.5 Ų139.589%0.88781%0.81SS**  98116.7108.100000122.7
182G31.7Very low32.7Very low73 Ų73138.4 Ų138.475%0.75380%0.795SS**  trans114.8109.2135.400000121.5
183L34.6Very low32.6Very low190 Ų190144.4 Ų144.4100%0.99580%0.795SS**  trans57.6143.6147.9-64.1161.2000121.4
184G31.9Very low32.4Very low71 Ų71143.4 Ų143.473%0.73278%0.783SS**  trans-100.3-150.5178.700000114.6
185P56.2Low32.4Very low127 Ų127139.7 Ų139.783%0.82578%0.778SS**  cis-143.2167.95.843.5-24.9000119.1
186H34.2Very low32.4Very low174 Ų174139.1 Ų139.181%0.80678%0.78SS**  trans41.9128.8142.6-162.9-86.1000124.7
187V27.9Very low32.3Very low129 Ų129138.1 Ų138.178%0.78278%0.78SS**  trans-178.3150.6135.6138.60000115.3
188H28.8Very low32.3Very low186 Ų186139.5 Ų139.586%0.86179%0.785SS**  trans-19.8157.5158.4-124.923.8000118.7
189G28.2Very low32.2Very low56 Ų56141.3 Ų141.358%0.57779%0.793SS**  cis169.9-161.33.900000111.9
190E27.2Very low31.8Very low198 Ų198140.7 Ų140.793%0.92580%0.798SS**  trans76.7171.3163.597.9-170.9131.900123.4
191S29.5Very low31.5Very low116 Ų116138.6 Ų138.681%0.81179%0.794SS**  trans-145-173-165.9-56.40000110.7
192E32.2Very low31.4Very low128 Ų128143.4 Ų143.460%0.59879%0.794SS**  cis-154.8-149.512.1-165.2-114.7103.500108.3K194E192-K194 WeakPolarHBondContact OE1-CE 3.5Å; E192-K194 IonicContact OE1-NZ 2.62Å; E192-K194 IonicContact OE2-NZ 2.66Å; E192-K194 PolarHBondContact OE2-NZ 2.72Å
193W27.1Very low31.2Very low197 Ų197147.6 Ų147.675%0.74680%0.798SS**  trans94.688.2153.3-55.2-21.5000122.1
194K29.4Very low30.8Very low150 Ų150147.9 Ų147.965%0.65279%0.793SS**  71.6163.2109.3-71.4158-168.1154.20122.8E192E192-K194 WeakPolarHBondContact OE1-CE 3.5Å; E192-K194 IonicContact OE1-NZ 2.62Å; E192-K194 IonicContact OE2-NZ 2.66Å; E192-K194 PolarHBondContact OE2-NZ 2.72Å
195S28.1Very low30.5Very low103 Ų103148.2 Ų148.272%0.7279%0.789SS**  trans87142.2168.586.40000115.5
196N28.3Very low29.1Very low153 Ų153150.8 Ų150.882%0.81879%0.79SS**  cis-137.9169.38.7-93.4-59.7000113.6
197L34.1Very low29.1Very low171 Ų171151.3 Ų151.390%0.89579%0.79SS**  trans-82.6151.6167.1-82.163000111.4
198A32.6Very low29.2Very low88 Ų88151.4 Ų151.473%0.72779%0.787SS**  158.2130.4116.400000113.8
199W28Very low29.3Very low258 Ų258150.3 Ų150.398%0.97778%0.782SS**  trans-169.6169.3130.6-95.2108.7000108.3
200Q31.3Very low29.4Very low185 Ų185151.1 Ų151.186%0.86479%0.79SS**  trans-143.6145.3-145.4-172.917926.400115.4
201G27.3Very low29.6Very low71 Ų71151.1 Ų151.173%0.73278%0.782SS**  trans88.9112.3169.300000113.9
202Q31Very low29.6Very low188 Ų188154.7 Ų154.788%0.87978%0.778SS**  cis82.782.523.5-164.3-179.6-21.700116.6
203I27.6Very low29.4Very low161 Ų161152.7 Ų152.783%0.82679%0.791SS**  -166.3118125.932.8177.4000112.9
204H25.8Very low29.5Very low195 Ų195147 Ų14790%0.90379%0.794SS**  trans52.1164.8147.4-13972.2000123.2
205A25.2Very low29.4Very low79 Ų79150.5 Ų150.565%0.65380%0.803SS**  trans77.496.5165.100000120.6
206Q27.9Very low29.3Very low181 Ų181152 Ų15285%0.84680%0.802SS**  0.1133.5122.9-162.4-16910.300119.2
207K32.6Very low29.3Very low184 Ų184153.1 Ų153.180%0.880%0.802SS**  trans72.6-179158.1-131.6-175178.3-176.70118.4
208D30.9Very low30.2Very low132 Ų132149.3 Ų149.371%0.70679%0.788SS**  trans77.8155.3165.8-79-60.5000119.3
209E32.1Very low30Very low162 Ų162152.1 Ų152.176%0.75779%0.79SS**  cis-135.3144.43.2-159.7170.1170.200114.7
210G30.1Very low30Very low74 Ų74146.7 Ų146.776%0.76378%0.781SS**SBendtrans-124.519.8-17800000116.8
211R31.5Very low30Very low198 Ų198140.3 Ų140.375%0.74776%0.764SS**  trans75.8108.9176.2-62.2-174.6176.5-143.5-0.9119.7
212R29.1Very low29.9Very low191 Ų191145.2 Ų145.272%0.72177%0.768SS**  69.6108.9126.9-56.9-177.5-160.1-65.7-1.4121.5
213G28.4Very low29.9Very low86 Ų86147.7 Ų147.789%0.88777%0.769SS**  trans79.4153.9144.900000116.5
214G27.9Very low29.9Very low77 Ų77151.3 Ų151.379%0.79477%0.773SS**  cis144.6107.8-3.100000109
215R28.1Very low31.2Very low223 Ų223148.1 Ų148.184%0.84277%0.77SS**  122.214064.5-167.5-164.9-152.8-96.22.5106.5
216L26Very low31.2Very low135 Ų135147.8 Ų147.871%0.70777%0.774SS**  trans95.299.6167-55.4177.5000120.3
217H28.1Very low31.2Very low176 Ų176146.3 Ų146.382%0.81577%0.771SS**  77.1-172.5128.9-133.5-36.4000118.9
218P51.8Low31Very low92 Ų92144.4 Ų144.460%0.59777%0.765SS**  -86.4-168.9-127.741.8-29.6000113.6
219D29.4Very low30.9Very low147 Ų147146.4 Ų146.479%0.78677%0.767SS**  cis-178.4168.846.4-143.1-115.3000107.6
220D28.7Very low30.9Very low144 Ų144142.9 Ų142.977%0.7777%0.765SS**  cis-168.5179.7-47.4-156.3-44.8000106
221G29.9Very low31.3Very low51 Ų51144.9 Ų144.953%0.52677%0.765SS.*  trans82.293.213700000121.8
222Q26.4Very low31.1Very low174 Ų174140.5 Ų140.581%0.81377%0.765SS**  60.2117124.3-62.9-93.78.300121.1
223R30.4Very low31.2Very low239 Ų239139.8 Ų139.890%0.90277%0.77SS**  177.9152.9114.4-93.1150.3-154.8-89.20.5115.1
224R28.4Very low31.2Very low238 Ų238141.7 Ų141.790%0.89876%0.759SS**  trans-92.5-171.6162-62.9171.1157.5176.7-7.4109.5
225P51.8Low31.4Very low128 Ų128141.1 Ų141.183%0.83175%0.754SS**  -126.4178.1-72.839.5-24.1000112.3
226G26.7Very low31.6Very low72 Ų72139.6 Ų139.674%0.74275%0.748SS**  trans-160.7110.4165.900000110.4
227L27.2Very low31.9Very low150 Ų150144 Ų14479%0.78576%0.756SS**  cis89.4125.645.6-16891.9000111.9
228Q27.8Very low32.1Very low143 Ų143146.8 Ų146.867%0.66876%0.759SS**  trans75.4146177.8-42.8-165.446.100114.2
229K28.3Very low31.7Very low175 Ų175147.9 Ų147.976%0.76177%0.766SS**  cis-163.3150-11-120171.5-170.41570110
230A33.2Very low31.7Very low87 Ų87144.9 Ų144.972%0.71976%0.761SS**  trans-78.9158.9147.800000108.2
231P37.6Very low31.7Very low117 Ų117147 Ų14776%0.7677%0.767SS**  -156.5-171.862.142.7-21.6000116.8
232S28.5Very low31.9Very low106 Ų106148.9 Ų148.974%0.74178%0.777SS**  trans60.4151.4144.6-111.40000120.4
233E31.2Very low32.1Very low176 Ų176148.2 Ų148.282%0.82277%0.774SS**  cis-124.4149.45.8-53-178.4101.800108.8
234D28.8Very low32Very low125 Ų125147.9 Ų147.967%0.66877%0.773SS**  45.6130.864.4-158.99.2000113.9
235G30.8Very low32.3Very low66 Ų66145.7 Ų145.768%0.6877%0.77SS**  trans-170.8-28.3-165.600000120.7
236R32.3Very low31.8Very low191 Ų191145.7 Ų145.772%0.72177%0.77SS**  trans60129.7163.8-83.7-171-80.7-103.5-3.2120.8
237R33Very low32Very low228 Ų228149 Ų14986%0.8678%0.776SS**  trans112.7104.5145.7-67.1165.3-155.5-92.66.1119.4
238R32.6Very low32.2Very low233 Ų233149.1 Ų149.188%0.87978%0.777SS**  trans-34.7162.5138.8-88.7-163.7-64.8156.1-3.7114.9
239P42.4Very low32.9Very low115 Ų115148.5 Ų148.575%0.74779%0.785SS**  cis-152-173.145.844-23.5000119.9
240A29.7Very low33.1Very low84 Ų84151 Ų15169%0.69479%0.79SS**  trans83.1136.1141.900000120.1
241E28.2Very low33.1Very low188 Ų188156.1 Ų156.188%0.87980%0.798SS**  cis-148.5177.8-14.2-63-146.212200110.8
242A34.6Very low32.9Very low91 Ų91154.4 Ų154.475%0.75279%0.794SS**  trans60116.5164.200000118.4
243E31.4Very low33Very low160 Ų160155.2 Ų155.275%0.74880%0.8SS**  cis84.5124.733.7-55.5-143.5150.100116.5
244W28.5Very low33.2Very low233 Ų233151.1 Ų151.188%0.88380%0.796SS**  cis-163-172.6-18.3-122.332.2000110.5
245K34.4Very low33.5Very low192 Ų192154.3 Ų154.384%0.83581%0.807SS**  trans-76.3158.8-176.7-81.3177.5178.2176.50114.4
246P41.1Very low33.6Very low127 Ų127159.4 Ų159.483%0.82581%0.813SS**  trans-74.7158-170.430.7-38000114.8
247T30.3Very low33.6Very low141 Ų141153.6 Ų153.687%0.86581%0.813SS**  trans-154.2149.4173.6-76.30000112.2
248L31.8Very low33.5Very low154 Ų154152.6 Ų152.681%0.80681%0.809SS**  trans-81.3148.1-179.8-70.3162.5000113.3
249P42.2Very low33.5Very low129 Ų129147.8 Ų147.884%0.83881%0.806SS**  trans-68.4152.2166.6-17.832.1000113.4
250R33.6Very low33Very low228 Ų228151.1 Ų151.186%0.8680%0.803SS**  trans-155.4123.8-172.7-179.2-168.4-167169.25.4112.9
251H32.7Very low33.2Very low194 Ų194155 Ų15590%0.89880%0.8SS**  trans-160.5150.1165.1-75.8-55.2000109.6
252A32.2Very low33.2Very low81 Ų81152 Ų15267%0.66979%0.786SS**  cis-165.4177.3-15.200000110.9
253S31.1Very low33.4Very low124 Ų124151.9 Ų151.987%0.86778%0.779SS**  trans83.3150.3165.9-52.80000119.9
254A34.7Very low33.3Very low90 Ų90151.3 Ų151.374%0.74478%0.781SS**  cis-175.2113.5-31.400000112.8
255E36Very low33.3Very low191 Ų191145.3 Ų145.389%0.89378%0.775SS**  trans-175.9120.315348.8-166.2163.100108.1
256E33.3Very low33.1Very low174 Ų174144.3 Ų144.381%0.81377%0.773SS**  58.9123.584.8-169.3161.8-159.400115.3
257G31.7Very low32.3Very low69 Ų69146.9 Ų146.971%0.71177%0.772SS**  trans-179-2.5-175.700000124
258R31.8Very low32.5Very low207 Ų207146 Ų14678%0.78177%0.766SS**  trans47.9131.3162.2-59.2-176.2179-159.1-0.6122.2
259T32.4Very low33.5Very low132 Ų132143.4 Ų143.481%0.8176%0.758SS**  trans70.2153.6138.353.70000120.8
260R31.1Very low32.7Very low185 Ų185145.6 Ų145.670%0.69876%0.757SS**  cis-177130.6-13163.5-171.1177.4-76.71.9112.1
261R34.5Very low32.8Very low165 Ų165142.1 Ų142.162%0.62376%0.755SS**  trans68.9128.9155.6-74.8176.3142.1-130.2-1119
262E28.7Very low32.6Very low126 Ų126141.4 Ų141.459%0.58975%0.752SS**  92.7148.191.8-73.2168.6171.100112.9
263S37.8Very low32.6Very low87 Ų87141.4 Ų141.461%0.60875%0.752SS**  cis-168.6164.5-14.3-101.10000110.5
264D29.1Very low32.7Very low148 Ų148143.5 Ų143.579%0.79175%0.752SS**  trans64.8155.3156.9-57.5-34.3000118.4
265S29.8Very low32.5Very low107 Ų107147 Ų14775%0.74875%0.753SS**  cis-151137.10.726.40000114.1
266H29.8Very low32Very low172 Ų172143.6 Ų143.680%0.79674%0.741SS**  trans35.7125.8130.6-84-87000125.1
267F24.2Very low31.8Very low181 Ų181140.6 Ų140.679%0.79474%0.735SS**  89.5170.6128.6-136.4-110.2000121.7
268V33.4Very low31.6Very low122 Ų122145 Ų14574%0.73974%0.742SS**  trans-154.7-161.5-162-119.40000108.6
269P53.2Low31.4Very low99 Ų99147.3 Ų147.364%0.64375%0.75SS**  cis-136.6-172.43.544.7-24000115.9
270E25.9Very low31.3Very low175 Ų175149.2 Ų149.282%0.81875%0.75SS**  30132.3127.6-157.8164-104.800119.8
271L35.3Very low32Very low155 Ų155145.6 Ų145.681%0.81275%0.75SS**  cis-164.1-146.5-2.1-157.288.4000110.9
272E29Very low32.1Very low180 Ų180145.6 Ų145.684%0.84176%0.762SS**  trans75.2145.6161-63.5-167137.500119.6
273A32.2Very low32.8Very low81 Ų81145.4 Ų145.467%0.66977%0.771SS**  cis-162.9170.2-14.400000112.9
274L32.6Very low33.4Very low167 Ų167147.2 Ų147.287%0.87478%0.781SS**  trans15.6142.8148-70.5161.7000120.6
275Q30.1Very low33.4Very low163 Ų163149 Ų14976%0.76278%0.782SS**  cis-135.8-172.711.6-53.2168.8-131.200109.1
276D27Very low33.5Very low121 Ų121151.5 Ų151.565%0.64778%0.782SS**  cis-159.4-161-1.7-133.3-34.8000106.8
277T28.1Very low33.7Very low110 Ų110149 Ų14968%0.67578%0.784SS**  cis-152156.55.8-11.60000112.2
278L27.9Very low34.1Very low163 Ų163147.1 Ų147.185%0.85379%0.787SS**  trans12.9107.3153.3-69.1168.6000120
279R26.7Very low34.2Very low254 Ų254148.8 Ų148.896%0.95879%0.79SS**  -170.8172104.4-134.3171.5-177.4156.43.4113.7
280E31.9Very low33.7Very low172 Ų172149.2 Ų149.280%0.80479%0.793SS**  trans-121.6169.6-163.6-165.5-160138.500110.2
281P45.8Very low34.6Very low110 Ų110146.7 Ų146.771%0.71479%0.792SS**  cis-116.2-173.5-42.126.6-6.8000114.1
282L36.2Very low34.6Very low165 Ų165148.5 Ų148.586%0.86479%0.794SS**  trans-83.9159.4175.7-60168.9000113.6
283P43.1Very low34.7Very low121 Ų121152 Ų15279%0.78680%0.799SS**  -148.4172.196.236.7-17.8000115.8
284P50.7Low34.9Very low125 Ų125156 Ų15681%0.81281%0.808SS**  trans-96.5150.6-16436.9-36.3000116.8
285K29.1Very low34.7Very low187 Ų187156.1 Ų156.181%0.81381%0.806SS**  trans-156.7155.2170.7-67.1-172.2179.9-179.50109.6
286Q31.8Very low34.7Very low158 Ų158153.1 Ų153.174%0.73880%0.803SS**  cis-162152.9-15.9-112.7170.6-38.700107.7
287S33.2Very low34.8Very low121 Ų121153.3 Ų153.385%0.84682%0.815SS**  trans-76.1141.5163.345.30000110.4
288V32.5Very low34.8Very low140 Ų140154.6 Ų154.685%0.84882%0.822SS**  trans-118.4137.5-176.9179.30000110.7
289L35.5Very low35.4Very low157 Ų157152.2 Ų152.282%0.82282%0.816SS**PPolyproline II helixtrans-82.9156.6-168.9-64.8163.4000113.7
290P42.7Very low35.6Very low108 Ų108148.7 Ų148.770%0.70181%0.811SS**PPolyproline II helixtrans-68.9158.716231.6-35000111.9
291P45.7Very low36.3Very low123 Ų123145.6 Ų145.680%0.79981%0.806SS**PPolyproline II helixtrans-74.9145.6-170.629.2-35.6000114.4
292K34.6Very low35.6Very low193 Ų193143.6 Ų143.684%0.83981%0.805SS**PPolyproline II helixtrans-77.6142.2-179.4-60.5175.666.8169.80112
293W31.3Very low35.3Very low254 Ų254142.9 Ų142.996%0.96280%0.802SS**PPolyproline II helixtrans-79.1151163.1-70.161000109.8
294L35.9Very low34.7Very low163 Ų163145.4 Ų145.485%0.85380%0.803SS**  trans-121.1137.9178.5-72.2172.4000110.8
295M29.3Very low33.8Very low170 Ų170142.5 Ų142.584%0.83780%0.797SS**  trans-130.8132.1166.1-75.4-122.367.700110.1
296S29.6Very low34.6Very low100 Ų100139.4 Ų139.470%0.69980%0.795SS**  trans41.7131.6150.4-550000122.1
297S28.2Very low35.6Very low126 Ų126136.9 Ų136.988%0.88179%0.793SS**  trans-152.2151.5131.5-81.90000110.7
298T28.2Very low35.5Very low136 Ų136142.7 Ų142.783%0.83480%0.796SS**  trans-116.1142-177.7-56.20000109
299P41.9Very low35.6Very low113 Ų113142.2 Ų142.273%0.73479%0.794SS**  trans-91.2148.617835.6-34000113.4
300E31Very low36.2Very low180 Ų180140.2 Ų140.284%0.84179%0.79SS**  trans-154.8168.3164-97.6-64.279.500107.8
301P46.9Very low35.5Very low107 Ų107140.4 Ų140.470%0.69579%0.794SS**  trans-136.8170.3-131.142.3-25.2000118.3
302G30.1Very low34.6Very low68 Ų68139.5 Ų139.570%0.70179%0.791SS**  trans98.2131.5135.900000119.9
303N29.5Very low34.5Very low151 Ų151139.3 Ų139.381%0.80779%0.792SS**  trans148.6145.2148-86.28.7000111.4
304E30.8Very low35.3Very low173 Ų173132.6 Ų132.681%0.80878%0.782SS**  cis-141.3172.4-26.7-73.4-144.2164.900106.1
305G31.4Very low35Very low65 Ų65129 Ų12967%0.6778%0.776SS**  cis179.3-160.630.600000112.5
306P47.3Very low35Very low121 Ų121126.4 Ų126.479%0.78677%0.77SS**  trans-124.4-153-15347.6-36.3000113.3
307P52.6Low34.9Very low105 Ų105128.5 Ų128.568%0.68277%0.772SS**  cis-134.5164.7-17.438.2-21.7000116.3
308R31.3Very low35Very low243 Ų243132.6 Ų132.692%0.91777%0.77SS**  172.6162.6125.1-95.8172-179.3-177.61.5115.5
309T33Very low35Very low131 Ų131131.2 Ų131.280%0.80477%0.766SS**  trans-100.3-176.1-175.152.20000111.5
310P48.9Very low34.7Very low115 Ų115131.3 Ų131.375%0.74777%0.769SS**  cis-146.5-179.812.845.2-25.7000119.6
311S26.9Very low35.5Very low112 Ų112128.4 Ų128.478%0.78377%0.766SS**  trans70.7151.4153.5-136.50000118.3
312S28.6Very low34.7Very low104 Ų104128.8 Ų128.873%0.72777%0.771SS**  cis-148.2162.87-46.30000112.7
313H31.7Very low34.9Very low188 Ų188130.4 Ų130.487%0.8778%0.778SS**  trans-79.1175.8165.2-71.5-60.4000112.3
314P47.9Very low34.9Very low113 Ų113126.1 Ų126.173%0.73477%0.769SS**  cis-125.3158.918.323.32.3000116.2
315A30.2Very low34.9Very low89 Ų89124.7 Ų124.774%0.73677%0.772SS**  53139.18400000115.2
316T28.1Very low35Very low115 Ų115127.2 Ų127.271%0.70678%0.78SS**  -176.3118.474.4-64.30000114.3
317L29.3Very low34.3Very low144 Ų144131 Ų13175%0.75478%0.784SS**  trans65.1152.5141.4-62.5173000127.4
318Y29.4Very low34.2Very low211 Ų211131.5 Ų131.583%0.82779%0.787SS**  trans88.9164.5144.1-87.8-57.2000123
319S29.2Very low34.1Very low107 Ų107126.6 Ų126.675%0.74878%0.784SS**  trans-124.1170.7-147.9-500000114.2
320S33.6Very low34.1Very low116 Ų116131.2 Ų131.281%0.81179%0.787SS**  trans-57.6161175.8-41.30000114.3
321P47.8Very low33.2Very low119 Ų119130.1 Ų130.177%0.77378%0.782SS**  -153.2155.4102.738.8-21.8000118.6
322S31Very low33.4Very low115 Ų115131.2 Ų131.280%0.80478%0.784SS**  trans56.4134.3138.8-1530000124.9
323A33.3Very low33.5Very low102 Ų102131.6 Ų131.684%0.84379%0.786SS**  trans59.2161.7149.900000120
324G30.4Very low33.6Very low61 Ų61128.7 Ų128.763%0.62979%0.787SS**  cis167.3145.4-12.100000113.7
325T31.2Very low32.7Very low142 Ų142128.1 Ų128.187%0.87179%0.792SS**  trans63.4141.2167.275.20000121.9
326S32.6Very low32.8Very low119 Ų119127.3 Ų127.383%0.83279%0.792SS**  trans142.4157.3133.966.40000116.1
327K33.3Very low32.9Very low199 Ų199128.6 Ų128.687%0.86580%0.8SS**  trans-134.9-177.3169.4-53.5179.2179.4177.40106.2
328P49.7Very low33Very low116 Ų116126.9 Ų126.975%0.75380%0.8SS**  cis-132.4-166.7-9.139.8-21.1000112.8
329V29.2Very low33Very low140 Ų140123.7 Ų123.785%0.84880%0.803SS**  171162129.3152.70000113.1
330R33.7Very low33.2Very low229 Ų229126.2 Ų126.286%0.86480%0.803SS**  trans-80.3179.5-177.6-95.9175.5175.4146.4-4.1113.4
331S29.5Very low33.2Very low91 Ų91127.9 Ų127.964%0.63680%0.798SS**  cis-168.5-175.18.9-1250000112.7
332V31.6Very low33.6Very low136 Ų136127 Ų12782%0.82479%0.792SS**  trans69147.6165.6-50.10000117.8
333S30.2Very low33.8Very low111 Ų111125.8 Ų125.878%0.77679%0.788SS**  cis-143.6177.324.3-67.60000114.6
334S34.1Very low34.8Very low127 Ų127126.4 Ų126.489%0.88878%0.784SS**  trans-148.5145.9-169-40.20000115.6
335A30.3Very low34.9Very low102 Ų102129 Ų12984%0.84379%0.792SS**  trans-177.8153.915500000109.2
336G31.3Very low35Very low72 Ų72126.6 Ų126.674%0.74279%0.787SS**  cis102.5120.312.300000110.3
337T30.6Very low34.8Very low141 Ų141129.1 Ų129.187%0.86579%0.79SS**  cis-150.4158.844.245.20000110.8
338S30.7Very low34.8Very low108 Ų108125.7 Ų125.776%0.75579%0.786SS**  cis87.6120.739.4-167.80000117
339T29.5Very low34.7Very low145 Ų145125.9 Ų125.989%0.8979%0.788SS**  trans-168158.7154.7-73.20000108.9
340H34.2Very low34.6Very low160 Ų160125.2 Ų125.274%0.74179%0.789SS**  trans-155.1164.8-155.7-161.9-148.2000114
341Q33.3Very low34.6Very low151 Ų151119.4 Ų119.471%0.70678%0.783SS**  trans79.9161.6158.5-63.5-93-62.100120.1
342P56.9Low35Very low101 Ų101124.7 Ų124.766%0.65680%0.798SS**  cis-148174.4-38.241.4-24000118.9
343A33.6Very low35Very low88 Ų88121.2 Ų121.273%0.72779%0.79SS**  trans77.9169.5143.600000121.6
344P54.7Low35Very low116 Ų116122.2 Ų122.275%0.75379%0.792SS**  -142.5174.3-63.444-28.7000118.1
345S33.8Very low35Very low114 Ų114126 Ų12680%0.79779%0.792SS**  trans83.199.9146.8-62.20000125.3
346A31.8Very low35.4Very low93 Ų93129.2 Ų129.277%0.76979%0.79SS**  54.2126.1126.400000125.5
347L29Very low36Very low171 Ų171131 Ų13190%0.89579%0.788SS**  173.9173.2115-91.1172.8000113.4
348T33.9Very low36.7Very low127 Ų127130.3 Ų130.378%0.77979%0.786SS**  trans-125.2-174.4-176.363.70000111
349P46.9Very low37.4Very low121 Ų121132.4 Ų132.479%0.78679%0.788SS**  cis-133.2-178.1-10.243.3-27.6000114.7
350S27.2Very low38.6Very low126 Ų126130.7 Ų130.788%0.88178%0.78SS**  trans178.1172.4140.8-163.60000112.1
351S33.7Very low39.7Very low106 Ų106128.5 Ų128.574%0.74178%0.78SS**  trans-134.5150.6-176.468.60000114.2
352Q38.7Very low40.2Very low202 Ų202127.4 Ų127.494%0.94479%0.785SS**  trans-159.4150152.6-76.9-150.7-3.400113.2
353G30.7Very low39.5Very low64 Ų64131.6 Ų131.666%0.6679%0.793SS**  91.861.2123.300000122.4
354T31Very low39.7Very low131 Ų131133.6 Ų133.680%0.80480%0.799SS**  trans27.6122139.856.80000121.9
355K34Very low38.8Very low207 Ų207133.2 Ų133.290%0.979%0.794SS**  -172.4148.3109.9-101.4166.6-174.1176.10112.3
356Q37.6Very low39Very low169 Ų169134.3 Ų134.379%0.7979%0.791SS**PPolyproline II helixtrans-87146179.9-80.3-176.4-22.400112.7
357P45.4Very low39.2Very low110 Ų110139.8 Ų139.871%0.71479%0.792SS**PPolyproline II helixtrans-74.4149.1147.833.6-32.2000110.4
358P43.5Very low39.6Very low126 Ų126138.6 Ų138.682%0.81879%0.786SS**PPolyproline II helixtrans-70.7151.6-169.927.9-35.5000114.3
359L47.3Very low39.7Very low152 Ų152140 Ų14080%0.79679%0.789SS**PPolyproline II helixtrans-65.2142.6174.6-71.9167.9000111.9
360P53.5Low39Very low110 Ų110139.6 Ų139.671%0.71480%0.796SS**PPolyproline II helixtrans-70.5145.3176.329.9-35000111.6
361P56.9Low39.3Very low114 Ų114137.9 Ų137.974%0.7479%0.789SS**PPolyproline II helixtrans-65.5149-179.526.7-34.7000112.5
362P45.2Very low39.3Very low127 Ų127140.5 Ų140.583%0.82579%0.792SS**PPolyproline II helixtrans-65.2138.2178.927.4-34.4000111.4
363K41.4Very low39Very low190 Ų190138.5 Ų138.583%0.82679%0.787SS**PPolyproline II helixtrans-70.6136.5-176.5-65.2167.6-177.2168.50110.9V365K363-V365 PolarHBondContact O-N 2.73Å
364P38.3Very low38.9Very low129 Ų129141.3 Ų141.384%0.83879%0.791SS**PPolyproline II helixtrans-62.1129.1169.726.4-33.2000109.9N366P364-N366 PolarHBondContact O-N 2.98Å
365V35Very low38.9Very low109 Ų109140 Ų14066%0.66179%0.787SS**  trans-77.1115.2-178.6172.60000109.7K363 R367K363-V365 PolarHBondContact O-N 2.73Å; V365-R367 HydrophobicContact CG1-CB 4.4Å; V365-R367 HydrophobicContact CG1-CG 4.37Å; V365-R367 PolarHBondContact O-N 2.98Å
366N39.2Very low38.7Very low137 Ų137134.6 Ų134.673%0.73378%0.781SS**  trans-62.7121.5165.2-179.9-17.9000108.8P364 N368P364-N366 PolarHBondContact O-N 2.98Å; N366-N368 PolarHBondContact OD1-N 3.07Å
367R35.6Very low38.5Very low208 Ų208134.4 Ų134.479%0.78578%0.784SS**  trans-136.846.1-178.4-131175.3-173.81360.8113.7V365 N369V365-R367 HydrophobicContact CG1-CB 4.4Å; V365-R367 HydrophobicContact CG1-CG 4.37Å; V365-R367 PolarHBondContact O-N 2.98Å; R367-N369 VanDerWaalsContact C-N 3.28Å; R367-N369 PolarHBondContact O-N 3.25Å
368N36.2Very low37.7Very low146 Ų146138.3 Ų138.378%0.78179%0.793SS**  trans-65.888.3158.8-79.93.7000109.9N366N366-N368 PolarHBondContact OD1-N 3.07Å
369N35.8Very low37Very low155 Ų155136.2 Ų136.283%0.82979%0.794SS**  trans-158104.5166.7-98-42.1000110.7R367R367-N369 VanDerWaalsContact C-N 3.28Å; R367-N369 PolarHBondContact O-N 3.25Å
370A32.7Very low36.1Very low114 Ų114132.8 Ų132.894%0.94280%0.796SS**  trans-98.979.3177.200000111
371A33.2Very low35.1Very low89 Ų89135.7 Ų135.774%0.73680%0.8SS**  trans-16299.6167.600000111.4
372M34.3Very low34Very low162 Ų162137.4 Ų137.480%0.79880%0.803SS**  trans154.8110.8143.8-87.7-49.1-56.100110.4
373L32.7Very low33.4Very low159 Ų159135.9 Ų135.983%0.83280%0.801SS**  trans-160.5112.3147.1-114.5168.2000108.8
374V28.9Very low33Very low123 Ų123136.1 Ų136.175%0.74581%0.805SS**  trans-138.31371681690000105.3
375S30.9Very low32.5Very low103 Ų103137.3 Ų137.372%0.7280%0.803SS**  trans68148.3-168.6-53.50000114.1
376A30Very low32.5Very low94 Ų94137.8 Ų137.878%0.77781%0.809SS**  cis-130.51696.200000112.7
377L31.7Very low32.1Very low165 Ų165139.5 Ų139.586%0.86482%0.817SS**  trans-77.6140.9171.5-74.967.5000110.5
378Q30.4Very low31.7Very low193 Ų193138.5 Ų138.590%0.90281%0.814SS**  trans-149.4155.5144.8-146.973.560.500108.1
379G28.1Very low31.3Very low81 Ų81140 Ų14084%0.83581%0.809SS**  trans-68.2156.2-171.600000114.8
380G27.9Very low31Very low80 Ų80137 Ų13783%0.82580%0.8SS**  trans179.471.9-176.900000111
381E32Very low31Very low172 Ų172137.6 Ų137.680%0.80480%0.796SS**  trans-77.6151.3-174.954.1-166.292.600113.7
382N34.9Very low30.8Very low150 Ų150143.9 Ų143.980%0.80280%0.801SS**  trans69.376.7172.4-52.7-64.2000118
383A32.9Very low30.7Very low94 Ų94143.8 Ų143.878%0.77780%0.796SS**  trans-150.893.2158.600000112.6L385A383-L385 PolarHBondContact O-N 2.73Å
384Q31.5Very low30.6Very low195 Ų195144.5 Ų144.591%0.91179%0.788SS**  trans-91.699.1177.9-172.8169.1-2.300111.3
385L29.2Very low30.8Very low155 Ų155145.6 Ų145.681%0.81279%0.785SS**  trans-90121.9175-70.3172.6000111.2A383A383-L385 PolarHBondContact O-N 2.73Å
386P35.2Very low30.7Very low119 Ų119145.3 Ų145.377%0.77378%0.782SS**  trans-79.4132.8175.631.1-33000111.7
387L30.2Very low30.7Very low173 Ų173147.6 Ų147.691%0.90678%0.781SS**  trans-116.998.6173.9-77.9174.1000111.7
388Y27.5Very low30.7Very low186 Ų186150.3 Ų150.373%0.72978%0.781SS**  trans-148.1151.7157.9-143.1-122.5000105
389W27.3Very low30.8Very low177 Ų177149.2 Ų149.267%0.6778%0.782SS**  cis-132.1169.332.2-71.260.3000112.6W392W389-W392 AromaticContact CE3-NE1 3.53Å; W389-W392 HydrophobicContact CH2-CZ2 4.35Å; W389-W392 AromaticContact CZ3-CE2 3.9Å; W389-W392 AromaticContact CZ3-CZ2 3.96Å; W389-W392 HydrophobicContact CZ3-CZ2 3.96Å; W389-W392 AromaticContact CZ3-NE1 3.46Å
390S29.6Very low31Very low92 Ų92151.2 Ų151.264%0.64378%0.777SS**  trans-150.4142.6161.8-69.60000110.2
391C32.4Very low31.4Very low127 Ų127158.5 Ų158.586%0.85878%0.781SS**  trans56.798.5170.1-57.20000117.2
392W28.9Very low31.4Very low221 Ų221158 Ų15884%0.83778%0.783SS**PPolyproline II helixtrans-80.9126.1150.8-7558.4000108.3W389W389-W392 AromaticContact CE3-NE1 3.53Å; W389-W392 HydrophobicContact CH2-CZ2 4.35Å; W389-W392 AromaticContact CZ3-CE2 3.9Å; W389-W392 AromaticContact CZ3-CZ2 3.96Å; W389-W392 HydrophobicContact CZ3-CZ2 3.96Å; W389-W392 AromaticContact CZ3-NE1 3.46Å
393K32.6Very low31.3Very low161 Ų161156.4 Ų156.470%0.778%0.784SS**PPolyproline II helixtrans-102.1138.7162.5-176.2171.8-175.8-93.20108.1E395K393-E395 IonicContact NZ-OE1 3.2Å; K393-E395 PolarHBondContact NZ-OE1 2.67Å; K393-E395 IonicContact NZ-OE2 2.74Å; K393-E395 PolarHBondContact NZ-OE2 2.98Å
394R30.8Very low31.2Very low173 Ų173159.8 Ų159.865%0.65379%0.788SS**PPolyproline II helixtrans-95.4123.2178.1175.7-164.6-69.6-177.7-9.5109.7
395E33Very low31.4Very low147 Ų147156 Ų15669%0.68778%0.781SS**  trans-137.7149.2140.6-89.987-160.900106.6K393K393-E395 IonicContact NZ-OE1 3.2Å; K393-E395 PolarHBondContact NZ-OE1 2.67Å; K393-E395 IonicContact NZ-OE2 2.74Å; K393-E395 PolarHBondContact NZ-OE2 2.98Å
396C28.5Very low31.7Very low96 Ų96154.4 Ų154.465%0.64978%0.777SS**  trans-115.2150.8-179.9-58.20000109.8
397D30.9Very low32Very low142 Ų142159.5 Ų159.576%0.75978%0.783SS**  150.2161.8128.1-72-13.9000112.6
398Y31.6Very low32.3Very low223 Ų223158.4 Ų158.488%0.87578%0.777SS**  trans75.6102.3-178.1-61.8-79.5000118
399D31.7Very low32.6Very low170 Ų170155.4 Ų155.491%0.90978%0.782SS**  trans-68.5119.7162.2-76-68.4000112.1
400V32.6Very low32.6Very low123 Ų123158.6 Ų158.675%0.74579%0.793SS**  trans-141.2124.6156.1-176.70000109.4L402V400-L402 PolarHBondContact O-N 3.25Å
401Y36.4Very low32.7Very low232 Ų232165.4 Ų165.491%0.9181%0.805SS**  trans-68.9111.6175.8-115.7-103.2000111.2
402L32.1Very low32.5Very low162 Ų162164.2 Ų164.285%0.84880%0.804SS**  trans-141.7134.7166.4-75.6179.6000112.2V400V400-L402 PolarHBondContact O-N 3.25Å
403S31.8Very low32.4Very low117 Ų117157.6 Ų157.682%0.81881%0.805SS**PPolyproline II helixtrans-81.5149.1-169.2-550000114.4
404L31.1Very low32.2Very low164 Ų164153.4 Ų153.486%0.85981%0.808SS**PPolyproline II helixtrans-75.7129.8177.1-71.9168000112.5
405P35.8Very low32.2Very low116 Ų116152.6 Ų152.675%0.75382%0.815SS**PPolyproline II helixtrans-70.9135.1172.8-19.432.9000113.2
406V34.7Very low32.1Very low122 Ų122155.4 Ų155.474%0.73982%0.82SS**PPolyproline II helixtrans-103.3131.6172.8176.60000110
407Y42.8Very low32.2Very low226 Ų226155 Ų15589%0.88682%0.818SS**  trans-135.1138.8166.5-90.3-78.7000111.3
408L35.3Very low32.2Very low150 Ų150151.1 Ų151.179%0.78581%0.811SS**  trans-114.9142.1-171.8-85.7168.9000114.4
409C33.8Very low32Very low123 Ų123147.6 Ų147.683%0.83181%0.807SS**  trans5.4140.9151-56.10000121.9
410R27.8Very low31.9Very low243 Ų243148.8 Ų148.892%0.91781%0.805SS**  trans-157.9139.3157.3-177.7-176.8-67.6-122.40.1109.2
411R32.1Very low31.9Very low235 Ų235147.4 Ų147.489%0.88780%0.801SS**  cis-165.6162-23.6-178.9174.6-170.7-166.55.4107.8
412A28.5Very low31.7Very low102 Ų102145.3 Ų145.384%0.84380%0.8SS**  trans85.2148.1163.400000117.7
413G27Very low31.6Very low82 Ų82141.6 Ų141.685%0.84579%0.792SS**  cis158.4117.8-14.100000116.7
414G28.2Very low31.5Very low74 Ų74143.2 Ų143.276%0.76380%0.797SS**  trans119.5162166.100000114.4
415L31.3Very low31.4Very low155 Ų155139 Ų13981%0.81279%0.793SS**  cis-174.4156.7-25.5-122.9172000107.8
416R30.5Very low31.1Very low206 Ų206137.5 Ų137.578%0.77780%0.799SS**  trans73.5157.7178.8-48.7-83.276.2-132.43.6115.7
417S30Very low31Very low89 Ų89137 Ų13762%0.62281%0.808SS**  166.6127-63.1175.80000110.8
418G30.4Very low30.3Very low59 Ų59132 Ų13261%0.60881%0.806SS**  trans90.9151.4166.100000116.6
419D28.4Very low30.5Very low149 Ų149132.7 Ų132.780%0.79781%0.81SS**  cis-162.4157.6-11.1-99.8-49.3000112.3
420F30Very low30.4Very low195 Ų195135.8 Ų135.886%0.85581%0.811SS**  trans33140.1151.7-101.9-126000121.7
421S31.4Very low30.9Very low95 Ų95130 Ų13066%0.66481%0.806SS**  cis-163.4169.528-46.20000115.1
422Q32.8Very low31Very low188 Ų188123.6 Ų123.688%0.87980%0.802SS**  trans88.6100.5138.8-160.6163.79700123
423A29.5Very low31.3Very low83 Ų83128.1 Ų128.169%0.68680%0.803SS**  trans54.5102.8132.200000123.7
424T29.9Very low32.2Very low151 Ų151130.3 Ų130.393%0.92680%0.802SS**  53.8113.6117.5-42.10000121.5
425G28.6Very low32.9Very low76 Ų76132.1 Ų132.178%0.78480%0.803SS**  trans166.9121.4151.700000116.6
426G29.3Very low33.9Very low85 Ų85130.5 Ų130.588%0.87680%0.802SS**  trans93.5134.2161.600000117
427A33.3Very low34.9Very low111 Ų111126.9 Ų126.992%0.91781%0.805SS**  trans-82.2151.4176.400000112.4
428S29Very low35.9Very low122 Ų122131 Ų13185%0.85382%0.817SS**  trans-141.3145.5166.2-169.70000110.8
429L37.8Very low36.8Very low164 Ų164133.7 Ų133.786%0.85982%0.824SS**  trans-97.1146.3-169-70162.1000111.9
430H32.9Very low37.8Very low188 Ų188132.8 Ų132.887%0.8783%0.826SS**  trans-66.3128.5171.4-92-93.5000111.5A432H430-A432 PolarHBondContact O-N 3.29Å; H430-A432 VanDerWaalsContact O-N 3.16Å
431P37.3Very low38.2Very low122 Ų122133.6 Ų133.679%0.79283%0.829SS**  trans-79.197.3173.430.7-33.1000111.2
432A34.1Very low38.3Very low99 Ų99140.5 Ų140.582%0.81884%0.84SS**PPolyproline II helixtrans-74.2136.4169.200000111.2H430H430-A432 PolarHBondContact O-N 3.29Å; H430-A432 VanDerWaalsContact O-N 3.16Å
433K35.6Very low38.9Very low198 Ų198137.7 Ų137.786%0.86184%0.836SS**PPolyproline II helixtrans-88.5137177.8-66.6176.4-179.1174.20110.5
434P44.8Very low39.3Very low127 Ų127138.6 Ų138.683%0.82583%0.833SS**PPolyproline II helixtrans-74.8151.4179.630.7-35.3000112.8
435S44.7Very low40Very low113 Ų113137.5 Ų137.579%0.7983%0.829SS**PPolyproline II helixtrans-75.5154.4175-62.90000112.7
436P51.3Low40.1Very low121 Ų121140.4 Ų140.479%0.78683%0.831SS**PPolyproline II helixtrans-73.4147.8177.430.6-35.5000112.8
437P52.7Low40.1Very low129 Ų129142.6 Ų142.684%0.83883%0.828SS**PPolyproline II helixtrans-80154.9-178.332.5-36.1000113.9
438M49.1Very low40.2Very low177 Ų177147 Ų14787%0.87283%0.826SS**PPolyproline II helixtrans-80.5152.7175.2-69.3174.164.400112.8
439P50.4Low40.3Very low115 Ų115152 Ų15275%0.74783%0.826SS**PPolyproline II helixtrans-76.9149.9176.231.9-35.4000113
440P48.9Very low39.8Very low129 Ų129152 Ų15284%0.83883%0.827SS**PPolyproline II helixtrans-75.8152.6-178.230.5-35.5000113.8
441K38.5Very low39.8Very low213 Ų213149 Ų14993%0.92682%0.822SS**PPolyproline II helixtrans-74.7140.9177.4-64.8178.5179.6177.70111.3
442R33.1Very low39.7Very low239 Ų239150.5 Ų150.590%0.90282%0.824SS**PPolyproline II helixtrans-91.3117.1179.5-169.4-179.976.4-169.95.5110.8
443T45.7Very low39.4Very low130 Ų130152.9 Ų152.980%0.79882%0.823SS**  trans-105.5154.8171.3-173.40000111.2
444T37.8Very low40.1Very low101 Ų101148.8 Ų148.862%0.6282%0.816SS**  trans-129.8123-176.248.80000110.2
445P44.5Very low39.5Very low129 Ų129149 Ų14984%0.83882%0.815SS**PPolyproline II helixtrans-74.4144.8176.530.9-34000111.5
446V30.7Very low39.6Very low136 Ų136149.3 Ų149.382%0.82482%0.815SS**PPolyproline II helixtrans-102.8130.61741710000109.4
447T29.9Very low38.5Very low132 Ų132148.2 Ų148.281%0.8181%0.81SS**PPolyproline II helixtrans-79.6131.7179-460000112
448K35.2Very low37.3Very low202 Ų202150.3 Ų150.388%0.87881%0.808SS**  trans-137.1152.2151.6-82.1-156.3172.5-172.60111
449R31.1Very low37.4Very low227 Ų227147.6 Ų147.686%0.85780%0.803SS**  trans-85.5159.9-179.1-56.2178.8-178.6106.4-1110.9
450N27.7Very low36.4Very low164 Ų164147.7 Ų147.788%0.87780%0.802SS**  trans-132.3163144.6-98.5-18.1000108.8
451T33.4Very low35.4Very low126 Ų126148.3 Ų148.377%0.77380%0.797SS**  trans-154.2136.8178.8-57.90000107.2
452D35.2Very low36.1Very low154 Ų154143.5 Ų143.582%0.82479%0.787SS**  trans-89.6147.5-165.7-49.4-90.7000113.8
453D26.8Very low36Very low149 Ų149137.3 Ų137.380%0.79778%0.78SS**  trans17.1163.9142.7-120.418.1000122.6
454P50.4Low36.6Very low111 Ų111135.5 Ų135.572%0.72177%0.771SS**  cis-133-179.1-5.320.26.2000116.4
455T32.4Very low36.2Very low131 Ų131139.2 Ų139.280%0.80478%0.781SS**  trans-80.8170.7170.645.90000113.1
456P47.3Very low35.5Very low121 Ų121138 Ų13879%0.78678%0.776SS**  cis-138.8-153.235.338.8-12.9000114.1
457S27.9Very low35.6Very low97 Ų97137.5 Ų137.568%0.67877%0.772SS**  cis-153.6-11212.659.90000116.3
458H28.1Very low35.7Very low174 Ų174139 Ų13981%0.80677%0.771SS**  trans-149.4159.8-162.6-63.9-68.2000110.2
459P51.1Low35.6Very low119 Ų119135.7 Ų135.777%0.77376%0.762SS**  cis-148.9-163.749.943.4-20.3000114.3
460V29.7Very low35.8Very low118 Ų118133.3 Ų133.372%0.71576%0.76SS**  cis-162.5140.2-25.8133.10000110.9
461I27Very low35.9Very low142 Ų142129.2 Ų129.273%0.72876%0.757SS**  trans14.6149.4133.5-15.1164000118.7
462P53.7Low35.9Very low112 Ų112131.3 Ų131.373%0.72776%0.762SS**  cis-158.9158.15044.8-21.2000125
463S29.6Very low35.9Very low108 Ų108131.4 Ų131.476%0.75576%0.761SS**  trans71.3166.9136.3-75.20000122.7
464P59.8Low36.7Very low93 Ų93129.6 Ų129.660%0.60476%0.758SS**  cis-135.6-177.2-10.820.55.5000117.1
465H27.8Very low35.8Very low178 Ų178131 Ų13182%0.82476%0.764SS**  trans84.5149161.5-52.2-73.4000120
466S30.8Very low35.7Very low105 Ų105128 Ų12873%0.73476%0.759SS**  cis-173164.4-32.4-159.70000111.4
467V32.5Very low35.1Very low124 Ų124132.1 Ų132.175%0.75277%0.765SS**  trans106.1133.8159.3-174.50000119.7
468E32.7Very low35.6Very low165 Ų165136.3 Ų136.377%0.77177%0.774SS**  trans-41.6166.5173.4-79.579.8-17300119.4
469D33.2Very low35.9Very low132 Ų132135.9 Ų135.971%0.70678%0.777SS**  cis-167.5178.8-9.7173.443000110.2
470H34.9Very low35.6Very low176 Ų176135.3 Ų135.382%0.81577%0.773SS**  trans106.7132.1160-54.8-20.4000119.1
471G30.6Very low36.9Very low78 Ų78135.5 Ų135.580%0.80478%0.777SS**  trans125.1114.4149.100000118
472I31.4Very low37.8Very low171 Ų171136.6 Ų136.688%0.87778%0.783SS**  trans-97.7151.6-178.8-61.3-66.8000113.2
473L35.8Very low37.9Very low155 Ų155136.6 Ų136.681%0.81278%0.783SS**  trans-38.7158.9167-71.3175.3000115.9
474P44.3Very low39.3Very low111 Ų111137.4 Ų137.472%0.72179%0.786SS**  cis-153168.344.943.1-21.8000121.4
475V31.8Very low39Very low140 Ų140138.3 Ų138.385%0.84879%0.794SS**  trans30.2126.1141.5-1770000120.5
476G29.6Very low40.4Very low68 Ų68135.4 Ų135.470%0.70179%0.791SS**  trans-174.675.5166.300000119.6
477F34.6Very low41.5Very low209 Ų209136.4 Ų136.492%0.91780%0.795SS**  trans66.7163.7154-70.2-82.3000122.3
478Q38.2Very low42.3Very low184 Ų184138.1 Ų138.186%0.8680%0.799SS**  trans-106.3162-170.9-57.5170.110.300111.8
479L34.8Very low43.1Very low166 Ų166136 Ų13687%0.86980%0.8SS**  trans-108.9150156.6-87150000109.7
480P44.8Very low43.7Very low106 Ų106136.1 Ų136.169%0.68881%0.805SS**PPolyproline II helixtrans-82.5161.9-15932.8-37.4000114.6
481P56.7Low44Very low123 Ų123135.3 Ų135.380%0.79980%0.802SS**PPolyproline II helixtrans-66.8151.9172.229.4-35.7000112.6
482L46.8Very low45Very low165 Ų165138.1 Ų138.186%0.86480%0.797SS**PPolyproline II helixtrans-66.9149.4175.5-71.3161.2000111.9
483P55.6Low45.6Very low111 Ų111134.8 Ų134.872%0.72179%0.787SS**PPolyproline II helixtrans-71150.2-177.129.4-35.8000112.9
484P58.6Low46Very low125 Ų125133.1 Ų133.181%0.81279%0.785SS**PPolyproline II helixtrans-73.3141.9178.430.5-35.1000112.5
485S52.8Low45.8Very low112 Ų112133.1 Ų133.178%0.78379%0.787SS**PPolyproline II helixtrans-69.2145.5174.4-52.20000112.3
486P57.8Low46.7Very low118 Ų118132 Ų13277%0.76678%0.783SS**PPolyproline II helixtrans-71.1154.4179.329.6-35.5000112.9
487P55.1Low47.3Very low126 Ų126134.7 Ų134.782%0.81879%0.788SS**PPolyproline II helixtrans-73.5149.4-178.530.5-35.7000113.2
488L49.4Very low47.2Very low160 Ų160136.4 Ų136.484%0.83879%0.789SS**PPolyproline II helixtrans-72.8142.9173.1-70.1166000111.4T490L488-T490 PolarHBondContact O-N 3Å
489P48.5Very low47.2Very low121 Ų121136.5 Ų136.579%0.78679%0.789SS**PPolyproline II helixtrans-76.5116.9-178.629.6-34.2000112.6H491P489-H491 PolarHBondContact O-N 3.05Å
490T46Very low47Very low133 Ų133136.2 Ų136.282%0.81678%0.783SS**  trans-78.6104.9173.9-47.90000110.8L488L488-T490 PolarHBondContact O-N 3Å
491H41.8Very low46.5Very low160 Ų160139 Ų13974%0.74179%0.789SS**  trans-122.4106171.7-171.1-84.7000112.3P489P489-H491 PolarHBondContact O-N 3.05Å
492I50.9Low45.2Very low137 Ų137140.6 Ų140.670%0.70379%0.785SS**PPolyproline II helixtrans-84.5126.5175.5-63.6164.6000108.5
493P44.3Very low44.2Very low101 Ų101137 Ų13766%0.65677%0.771SS**PPolyproline II helixtrans-69.5140.5175.129.2-34000111.1
494P43.8Very low43Very low120 Ų120139.6 Ų139.678%0.77977%0.772SS**PPolyproline II helixtrans-71.9138.3-176.328.5-34.9000112.7
495S40.6Very low41.7Very low110 Ų110140.9 Ų140.977%0.76977%0.768SS**PPolyproline II helixtrans-67.3144.1171.5-630000111.8
496P50.5Low40.8Very low117 Ų117141.6 Ų141.676%0.7676%0.762SS**PPolyproline II helixtrans-67.7146.5174.829-35000111.6R498P496-R498 PolarHBondContact O-N 2.79Å
497P41.3Very low39.5Very low125 Ų125142.6 Ų142.681%0.81276%0.756SS**PPolyproline II helixtrans-70.8124.4-175.327.5-34.4000112.5
498R33.7Very low38.4Very low244 Ų244143.2 Ų143.292%0.92175%0.748SS**PPolyproline II helixtrans-78.9118.1159.6-74.4179.696.6-121.29.4109.1P496P496-R498 PolarHBondContact O-N 2.79Å
499Q37.7Very low37.6Very low187 Ų187142.2 Ų142.287%0.87474%0.739SS**PPolyproline II helixtrans-103.5161.4153.1-70.9-166.8-33.900110.1
500H30.3Very low37Very low159 Ų159143.8 Ų143.874%0.73674%0.735SS**  trans-98.9177.2-158.568.7-95000113.9H502H500-H502 AromaticContact CD2-CD2 3.67Å; H500-H502 AromaticContact NE2-CD2 3.72Å
501M34.6Very low36.2Very low166 Ų166142.7 Ų142.782%0.81873%0.733SS**  trans-103.2129.1-170.7-60.5-116.169.700112.8
502H28.6Very low35.9Very low155 Ų155145.5 Ų145.572%0.71874%0.739SS**  trans-159.4149.2158.8-79-61000109.4H500H500-H502 AromaticContact CD2-CD2 3.67Å; H500-H502 AromaticContact NE2-CD2 3.72Å
503T27.5Very low35.7Very low91 Ų91144.9 Ų144.956%0.55874%0.743SS**  -164.1161.7-50.216.80000109.2
504H30.6Very low35.2Very low164 Ų164148.2 Ų148.276%0.75975%0.75SS**  trans70.6158.2171.5-30.7-80000116.2
505H30.4Very low35.5Very low153 Ų153148.4 Ų148.471%0.70875%0.751SS**  cis-160.5148.2-7.2-143.121.6000113.3
506L34.5Very low35.2Very low126 Ų126150.7 Ų150.766%0.6675%0.754SS**  trans59.9167.2155.7-64.6175.3000119.1
507H29.8Very low35.2Very low139 Ų139150.3 Ų150.364%0.64475%0.751SS**  cis-152.3135.66.7-15068.3000112.4
508H33Very low35Very low140 Ų140153.1 Ų153.165%0.64875%0.753SS**  trans45.6173.3153.3-70.684.3000122.9
509Q31.7Very low35.8Very low139 Ų139146.9 Ų146.965%0.6575%0.745SS**  171.8155.7-58.2-98.1-76.110.200110.3
510H35.3Very low35.6Very low154 Ų154145.7 Ų145.771%0.71374%0.742SS**  trans67157.5166.6-49.2-41000117.8
511S29.1Very low36.6Very low110 Ų110143.3 Ų143.377%0.76974%0.741SS**  cis-162.1169.5-15.3-106.70000112.5
512Y36.2Very low36.4Very low219 Ų219143.2 Ų143.286%0.85974%0.741SS**  trans-87.6157.6171.5-95.1-87.7000112.4
513P47.2Very low36.7Very low123 Ų123142.3 Ų142.380%0.79974%0.74SS**  -155.2-171.88641-19.2000118
514H33.9Very low36.8Very low172 Ų172147.3 Ų147.380%0.79676%0.755SS**  trans-95.6172173-108.624.4000111.6
515P49.8Very low37Very low124 Ų124145.8 Ų145.881%0.80575%0.753SS**  cis-153.4-158.148.243.6-19.5000118.2
516L32.7Very low38.4Very low158 Ų158143.4 Ų143.483%0.82775%0.75SS**  trans-92.4-169.1174.7-62.5167000111.9
517P51.5Low39.1Very low108 Ų108142.8 Ų142.870%0.70175%0.754SS**  cis-143.8168.4-0.643.8-25.1000119.7
518Q37.6Very low39.4Very low184 Ų184141.6 Ų141.686%0.8676%0.761SS**  trans44.4178.5146.4-68-157.632.100122.3
519P50.1Low40.5Very low113 Ų113140.3 Ų140.373%0.73477%0.766SS**  cis-124.4-157.5-9.542.3-24.1000114.5
520I33.7Very low40.3Very low162 Ų162140.8 Ų140.883%0.83178%0.778SS**  trans-145.3132.3-172-51.3157.8000112
521P50.6Low40.4Very low110 Ų110139.7 Ų139.771%0.71478%0.782SS**  trans-158.6157.3132.539.1-20.6000119.2
522M31.2Very low40.4Very low164 Ų164143.4 Ų143.481%0.80879%0.787SS**  trans65.2160.5148-60.9-100.99300120.3
523L35.2Very low40.1Very low135 Ų135137.6 Ų137.671%0.70778%0.779SS**  cis-176.8125.2-25.5167.665.8000110.1
524F28.6Very low39.5Very low196 Ų196137.9 Ų137.986%0.8678%0.78SS**  trans-172.3158.6146.7-133.3-100.7000114
525D33.8Very low39.5Very low133 Ų133138.5 Ų138.571%0.71178%0.783SS**  trans-169.2168.3-178.3-163.349.3000107.9
526P61.6Low38.9Very low102 Ų102143.8 Ų143.866%0.66279%0.787SS**  cis-105.4-132.4-8.838.2-20.5000111.3
527P48Very low39.4Very low114 Ų114141.8 Ų141.874%0.7478%0.784SS**  cis-125.7-167.826.144.6-28.7000116.4
528S36.8Very low39.3Very low113 Ų113140.5 Ų140.579%0.7978%0.783SS**  trans-156.8-174.7170.1-64.60000107.4
529P55.8Low40.4Very low114 Ų114137.7 Ų137.774%0.7478%0.78SS**  cis-134.1-179.7-7.143.2-27.6000114.7
530T28.4Very low41.4Very low148 Ų148134.8 Ų134.891%0.90876%0.76SS**  trans-143.2156.3154.8-49.70000110.4
531V36.9Very low43.6Very low131 Ų131130.3 Ų130.379%0.79474%0.742SS**  trans-110.5140.7-171.9173.20000112.1
532E29.7Very low44.3Very low189 Ų189131.2 Ų131.288%0.88374%0.74SS**  trans-150.9178.2152.3-132.6-164.6107.600113.9
533S28.6Very low46.3Very low97 Ų97128.7 Ų128.768%0.67873%0.726SS**PPolyproline II helixtrans-81.7161.4-156.9-81.90000116.7Q535S533-Q535 PolarHBondContact O-N 2.78Å
534P35.3Very low48.3Very low128 Ų128124.9 Ų124.983%0.83171%0.706SS**PPolyproline II helixtrans-74.1118.5-170.628.8-36000113.8
535Q33.2Very low50.4Low185 Ų185120.9 Ų120.986%0.86469%0.691SS**PPolyproline II helixtrans-67.6142.4161.4-69.7-170.4-13.400110.7S533S533-Q535 PolarHBondContact O-N 2.78Å
536R37.9Very low52.2Low235 Ų235118.6 Ų118.689%0.88768%0.678SS**PPolyproline II helixtrans-60.8130.8170.4-67.2-178.3177.6114.4-2.4109.1A538R536-A538 PolarHBondContact O-N 3.06Å
537P42.8Very low52.5Low116 Ų116119.3 Ų119.375%0.75367%0.672SS**PPolyproline II helixtrans-61.8138.6167.627.2-33.3000109.2
538A49.7Very low53.5Low82 Ų82121.5 Ų121.568%0.67867%0.666SS**PPolyproline II helixtrans-56.1145.4174.300000110.5R536 V540R536-A538 PolarHBondContact O-N 3.06Å; A538-V540 PolarHBondContact O-N 2.98Å
539P60.9Low54.7Low125 Ų125119.7 Ų119.781%0.81266%0.658SS**  trans-58.5114.5-175.723.2-33.5000110.4P541P539-P541 WeakPolarHBondContact O-CD 3.29Å
540V71.4Confident55Low52 Ų52121.3 Ų121.332%0.31566%0.659SS.*  trans-61123.2-178.8175.30000108.4A538 L542 I544 M545A538-V540 PolarHBondContact O-N 2.98Å; V540-L542 PolarHBondContact O-N 3.47Å; V540-I544 HydrophobicContact CG1-CB 3.63Å; V540-I544 HydrophobicContact CG1-CG2 3.6Å; V540-M545 HydrophobicContact CB-CG 4.03Å; V540-M545 HydrophobicContact CG1-CG 3.89Å
541P79.8Confident56.1Low67 Ų67118.6 Ų118.644%0.43565%0.646SS.*  trans-52.7141.6-177.7-30.235.6000112.6P539 H543 I544 M545P539-P541 WeakPolarHBondContact O-CD 3.29Å; P541-H543 PolarHBondContact O-N 3.05Å; P541-I544 HydrophobicContact CB-CG1 4.47Å; P541-I544 HydrophobicContact CG-CD1 4.45Å; P541-I544 WeakPolarHBondContact O-CA 3.18Å; P541-I544 WeakPolarHBondContact O-CB 3.46Å; P541-I544 PolarHBondContact O-N 3.13Å; P541-M545 PolarHBondContact O-N 2.8Å; P541-M545 VanDerWaalsContact O-N 3.13Å
542L64.6Low56.6Low130 Ų130116.4 Ų116.468%0.68164%0.637SS**Hα-helixtrans-50.3-40.4-171.9-164.490.3000112.7V540 I544 M545 I546V540-L542 PolarHBondContact O-N 3.47Å; L542-I544 VanDerWaalsContact C-N 3.32Å; L542-I544 PolarHBondContact O-N 3.49Å; L542-M545 PolarHBondContact O-N 3.42Å; L542-I546 HydrophobicContact CD2-CD1 3.86Å; L542-I546 HydrophobicContact CG-CD1 3.91Å; L542-I546 WeakPolarHBondContact O-CB 3.34Å; L542-I546 VanDerWaalsContact O-CG1 3.28Å; L542-I546 WeakPolarHBondContact O-CG1 3.28Å; L542-I546 PolarHBondContact O-N 2.87Å
543H73.3Confident57.7Low110 Ų110113.7 Ų113.751%0.50964%0.636SS.*Hα-helixtrans-65.2-31.1178.373.782.4000113.4P541 Q547P541-H543 PolarHBondContact O-N 3.05Å; H543-Q547 VanDerWaalsContact O-CB 3.27Å; H543-Q547 WeakPolarHBondContact O-CB 3.27Å; H543-Q547 WeakPolarHBondContact O-CG 3.35Å; H543-Q547 PolarHBondContact O-N 3.25Å
544I76.6Confident58.6Low56 Ų56111.7 Ų111.729%0.28763%0.63SS.*Hα-helixtrans-76.6-37.2175.1-55.5-173.4000110.2V540 P541 L542 Q547 R548V540-I544 HydrophobicContact CG1-CB 3.63Å; V540-I544 HydrophobicContact CG1-CG2 3.6Å; P541-I544 HydrophobicContact CB-CG1 4.47Å; P541-I544 HydrophobicContact CG-CD1 4.45Å; P541-I544 WeakPolarHBondContact O-CA 3.18Å; P541-I544 WeakPolarHBondContact O-CB 3.46Å; P541-I544 PolarHBondContact O-N 3.13Å; L542-I544 VanDerWaalsContact C-N 3.32Å; L542-I544 PolarHBondContact O-N 3.49Å; I544-Q547 PolarHBondContact O-N 3.38Å; I544-R548 HydrophobicContact CG2-CG 4.44Å; I544-R548 WeakPolarHBondContact O-CB 3.44Å; I544-R548 VanDerWaalsContact O-CG 3.3Å; I544-R548 WeakPolarHBondContact O-CG 3.47Å; I544-R548 PolarHBondContact O-N 3.47Å
545M73.7Confident59.2Low112 Ų112112 Ų11255%0.55263%0.633SS**Hα-helixtrans-60.5-46.7171.2-67.6-18063.200111.1V540 P541 L542 R548 A549V540-M545 HydrophobicContact CB-CG 4.03Å; V540-M545 HydrophobicContact CG1-CG 3.89Å; P541-M545 PolarHBondContact O-N 2.8Å; P541-M545 VanDerWaalsContact O-N 3.13Å; L542-M545 PolarHBondContact O-N 3.42Å; M545-R548 PolarHBondContact O-N 3.34Å; M545-A549 WeakPolarHBondContact O-CB 3.43Å; M545-A549 PolarHBondContact O-N 3.38Å
546I71.1Confident59.2Low84 Ų84108 Ų10843%0.43163%0.631SS.*Hα-helixtrans-62.2-46.9175.8-69.3164.6000110.9L542 R548 A549 L550L542-I546 HydrophobicContact CD2-CD1 3.86Å; L542-I546 HydrophobicContact CG-CD1 3.91Å; L542-I546 WeakPolarHBondContact O-CB 3.34Å; L542-I546 VanDerWaalsContact O-CG1 3.28Å; L542-I546 WeakPolarHBondContact O-CG1 3.28Å; L542-I546 PolarHBondContact O-N 2.87Å; I546-R548 VanDerWaalsContact C-N 3.31Å; I546-R548 PolarHBondContact O-N 3.08Å; I546-A549 PolarHBondContact O-N 3.33Å; I546-L550 HydrophobicContact CG2-CD1 3.68Å; I546-L550 HydrophobicContact CG2-CG 4.31Å; I546-L550 WeakPolarHBondContact O-CB 3.28Å; I546-L550 VanDerWaalsContact O-CG 3.26Å; I546-L550 WeakPolarHBondContact O-CG 3.46Å; I546-L550 PolarHBondContact O-N 2.88Å
547Q68.8Low59.2Low117 Ų117105.4 Ų105.455%0.54763%0.629SS.*Hα-helixtrans-61.2-37.6176.9-77.2165.3-8.900112.4H543 I544 S551H543-Q547 VanDerWaalsContact O-CB 3.27Å; H543-Q547 WeakPolarHBondContact O-CB 3.27Å; H543-Q547 WeakPolarHBondContact O-CG 3.35Å; H543-Q547 PolarHBondContact O-N 3.25Å; I544-Q547 PolarHBondContact O-N 3.38Å; Q547-S551 WeakPolarHBondContact O-CB 3.48Å; Q547-S551 PolarHBondContact O-N 2.82Å; Q547-S551 VanDerWaalsContact O-N 3.17Å; Q547-S551 PolarHBondContact O-OG 3.01Å
548R68.4Low59.1Low161 Ų161105 Ų10561%0.60863%0.626SS**Hα-helixtrans-69-43.3174.7-75.7175.1173.6-178.6-2.5112.1I544 M545 I546 L550 S551 S552I544-R548 HydrophobicContact CG2-CG 4.44Å; I544-R548 WeakPolarHBondContact O-CB 3.44Å; I544-R548 VanDerWaalsContact O-CG 3.3Å; I544-R548 WeakPolarHBondContact O-CG 3.47Å; I544-R548 PolarHBondContact O-N 3.47Å; M545-R548 PolarHBondContact O-N 3.34Å; I546-R548 VanDerWaalsContact C-N 3.31Å; I546-R548 PolarHBondContact O-N 3.08Å; R548-L550 VanDerWaalsContact C-N 3.32Å; R548-L550 PolarHBondContact O-N 2.87Å; R548-S551 PolarHBondContact O-N 3.3Å; R548-S551 PolarHBondContact O-OG 3.46Å; R548-S552 WeakPolarHBondContact O-CB 3.45Å; R548-S552 PolarHBondContact O-N 3.02Å
549A61.5Low58.1Low75 Ų75109.1 Ų109.162%0.6263%0.631SS**Hα-helixtrans-61.6-39.3174.700000112.2M545 I546 S551M545-A549 WeakPolarHBondContact O-CB 3.43Å; M545-A549 PolarHBondContact O-N 3.38Å; I546-A549 PolarHBondContact O-N 3.33Å; A549-S551 VanDerWaalsContact C-N 3.3Å; A549-S551 PolarHBondContact O-N 3.03Å
550L63Low57.5Low147 Ų147108.4 Ų108.477%0.7763%0.626SS**THydrogen-bonded Turntrans-78.1-6.8177.8-66.6173.9000114.5I546 R548I546-L550 HydrophobicContact CG2-CD1 3.68Å; I546-L550 HydrophobicContact CG2-CG 4.31Å; I546-L550 WeakPolarHBondContact O-CB 3.28Å; I546-L550 VanDerWaalsContact O-CG 3.26Å; I546-L550 WeakPolarHBondContact O-CG 3.46Å; I546-L550 PolarHBondContact O-N 2.88Å; R548-L550 VanDerWaalsContact C-N 3.32Å; R548-L550 PolarHBondContact O-N 2.87Å
551S52Low55.9Low91 Ų91113.4 Ų113.464%0.63665%0.652SS**THydrogen-bonded Turntrans-118.6-1.3178.755.20000114.5Q547 R548 A549 P553Q547-S551 WeakPolarHBondContact O-CB 3.48Å; Q547-S551 PolarHBondContact O-N 2.82Å; Q547-S551 VanDerWaalsContact O-N 3.17Å; Q547-S551 PolarHBondContact O-OG 3.01Å; R548-S551 PolarHBondContact O-N 3.3Å; R548-S551 PolarHBondContact O-OG 3.46Å; A549-S551 VanDerWaalsContact C-N 3.3Å; A549-S551 PolarHBondContact O-N 3.03Å; S551-P553 WeakPolarHBondContact O-CD 3.3Å
552S47.4Very low53.9Low85 Ų85113.9 Ų113.959%0.59467%0.669SS**  trans-87.1119.1174.6-172.80000111.6R548 G554R548-S552 WeakPolarHBondContact O-CB 3.45Å; R548-S552 PolarHBondContact O-N 3.02Å; S552-G554 PolarHBondContact O-N 2.85Å
553P52.7Low52.7Low133 Ų133112.1 Ų112.186%0.86467%0.673SS**  trans-93.38517935.3-31.5000111.8S551S551-P553 WeakPolarHBondContact O-CD 3.3Å
554G46.8Very low51Low55 Ų55115.5 Ų115.557%0.56769%0.689SS**SBendtrans-178.3145.8171.400000113.9S552S552-G554 PolarHBondContact O-N 2.85Å
555P46.8Very low49.3Very low135 Ų135122.6 Ų122.688%0.87771%0.712SS**PPolyproline II helixtrans-79.4138.317732.6-33.5000111.6
556A33.6Very low47.2Very low100 Ų100121.2 Ų121.283%0.82672%0.718SS**PPolyproline II helixtrans-87.3132.3167.900000110.1
557Q39Very low45.5Very low180 Ų180124.1 Ų124.184%0.84173%0.729SS**PPolyproline II helixtrans-71.4140.2170.8-76.3-77.23.100110.4
558P39.3Very low43.9Very low109 Ų109123.1 Ų123.171%0.70874%0.742SS**PPolyproline II helixtrans-70.8138168.930.2-33.3000110.7
559H30Very low42.5Very low167 Ų167123.5 Ų123.577%0.77376%0.755SS**PPolyproline II helixtrans-78.5131.3172.1-175.2-74.2000110.1D561H559-D561 PolarHBondContact O-N 2.92Å
560P46.9Very low41.2Very low110 Ų110126.5 Ų126.571%0.71476%0.759SS**  trans-84.898.1175.433-31000110.6
561D38.3Very low39.9Very low158 Ų158128 Ų12885%0.84576%0.76SS**  trans-167.2156.7130.4-129.6-37000112.4H559H559-D561 PolarHBondContact O-N 2.92Å
562G38Very low38.8Very low77 Ų77132.5 Ų132.579%0.79477%0.771SS**  trans135.424.5178.700000116.5
563A39.7Very low38.5Very low93 Ų93135 Ų13577%0.76978%0.783SS**  trans-111.3101.2-174.800000113.6
564Q38.5Very low38Very low180 Ų180134.3 Ų134.384%0.84178%0.778SS**  trans-138.8112.3157.1-64.7-165.19.800108
565R39.3Very low37.8Very low206 Ų206137.3 Ų137.378%0.77779%0.788SS**  77129.4102.4-173.7179-87.1-135-2.5111.5
566A31Very low37.3Very low82 Ų82138.9 Ų138.968%0.67878%0.784SS**  cis-132.1135.335.200000113.1
567H34.2Very low37.1Very low145 Ų145144 Ų14467%0.67178%0.783SS**  74.2116.399.2-66.1-37.3000115
568A35.3Very low36.6Very low97 Ų97142 Ų14280%0.80277%0.773SS**  trans-105.7155.3167.100000110.3
569L38.4Very low36.2Very low169 Ų169142.8 Ų142.889%0.88578%0.776SS**  trans175.3138.5147.7-100.2170.9000108.5
570L34.9Very low36.2Very low137 Ų137140.7 Ų140.772%0.71777%0.771SS**  trans158.1112.1143.7-86159.7000110.3
571F35Very low35.6Very low179 Ų179145.8 Ų145.879%0.78578%0.776SS**  trans65.1120.2170.1-40.7-59.4000116.1
572E30.5Very low35.3Very low186 Ų186141.9 Ų141.987%0.86977%0.772SS**  cis76.5112.517.5-151.7169.1-168.300115.1
573T39.9Very low35Very low137 Ų137149.6 Ų149.684%0.8478%0.778SS**  trans-114.1141.9-172.624.70000113.1
574P41.8Very low34.8Very low118 Ų118151.2 Ų151.277%0.76678%0.78SS**  trans-92.8167.2170.336.2-33.1000113.7
575P44Very low34.6Very low118 Ų118150.3 Ų150.377%0.76678%0.78SS**  trans-107.6-173.6-15941.6-36.9000117.2
576E35.6Very low34.4Very low169 Ų169146.5 Ų146.579%0.7978%0.782SS**  trans-64.4159.1-170.2-5996.5131.500117.7
577Y29Very low34.4Very low208 Ų208148.9 Ų148.982%0.81679%0.788SS**  trans-153.8-170136.8-133.6-101.8000114.2
578Q30.1Very low34.4Very low136 Ų136147.3 Ų147.364%0.63679%0.794SS**  trans-113.1155.3-148.3-58.7174.11.900117.2
579V30.9Very low34.9Very low126 Ų126150.2 Ų150.276%0.76479%0.794SS**  trans51.5125.4134.7173.30000120.7
580D30Very low35.1Very low123 Ų123149.9 Ų149.966%0.65879%0.788SS**  -165.2-177.7107.2-146.1-4.2000114.6
581R33Very low35.6Very low218 Ų218149.2 Ų149.282%0.82379%0.791SS**  trans-63154.5-167-47.2114.1-163.9-97.8-1116.3
582G32.1Very low35.8Very low75 Ų75148.4 Ų148.477%0.77379%0.794SS**  trans-103.7174164.900000115.2
583R32.8Very low36.2Very low240 Ų240149.1 Ų149.191%0.90680%0.795SS**  trans-144.9137.6160.3-74.2-175.3178.3-90.42108.8
584P35.6Very low36.2Very low127 Ų127150.4 Ų150.483%0.82580%0.796SS**  trans-82.1149169.733.4-33000111.4
585L32.7Very low35.9Very low161 Ų161149.7 Ų149.784%0.84379%0.794SS**  trans-111.5145.2162.6-75.7172.1000109.2
586P36.3Very low35.8Very low125 Ų125153.4 Ų153.481%0.81280%0.8SS**  trans-79.1135.5-177.731.9-33.8000111.5
587V31.3Very low36.3Very low132 Ų132152 Ų15280%0.880%0.798SS**  trans-123.8115.6168.2-178.20000108.2
588S33.5Very low37.1Very low113 Ų113149.4 Ų149.479%0.7980%0.799SS**PPolyproline II helixtrans-85.3121.917454.40000110.3
589I45.2Very low37.5Very low157 Ų157154.2 Ų154.281%0.80581%0.813SS**PPolyproline II helixtrans-85.1120.4173.3-58174.1000108.5
590Q43Very low37.8Very low163 Ų163153.5 Ų153.576%0.76281%0.814SS**PPolyproline II helixtrans-86.3132.5159.6-70.6-170.24.200108.8L592Q590-L592 PolarHBondContact O-N 3.29Å
591P45Very low38.1Very low122 Ų122155.8 Ų155.879%0.79282%0.82SS**  trans-73.5107.1172.229.4-32000109.6
592L39.5Very low38.4Very low162 Ų162154.2 Ų154.285%0.84882%0.822SS**PPolyproline II helixtrans-70.8139.5165.5-75.9167.8000109.5Q590Q590-L592 PolarHBondContact O-N 3.29Å
593K39.8Very low38.7Very low202 Ų202155.3 Ų155.388%0.87881%0.807SS**PPolyproline II helixtrans-82.6138.4174.5-60.6173.2-178178.50108.7
594L39.6Very low39Very low164 Ų164149.3 Ų149.386%0.85979%0.789SS**PPolyproline II helixtrans-103.7146.9164.4-61.1176.9000108.1
595S35Very low39Very low103 Ų103152.4 Ų152.472%0.7279%0.793SS**PPolyproline II helixtrans-78.7150.417641.90000111.3D597S595-D597 VanDerWaalsContact C-N 3.27Å; S595-D597 PolarHBondContact O-N 3.12Å
596E42.2Very low39.3Very low195 Ų195153.4 Ų153.491%0.91179%0.793SS**SBendtrans-94.544.6-173.8-67.1173.19900111.1
597D46.8Very low39.6Very low139 Ų139154.5 Ų154.574%0.74379%0.792SS**  trans-132.362.9-166.6-60.1-77.9000112.6S595S595-D597 VanDerWaalsContact C-N 3.27Å; S595-D597 PolarHBondContact O-N 3.12Å
598D44.9Very low39.8Very low154 Ų154156.1 Ų156.182%0.82480%0.797SS**  trans-156.540.2167.8-149.27.9000112.8
599Y39.3Very low39.9Very low237 Ų237160 Ų16093%0.92980%0.802SS**  trans-126.875.6177.5-87.2-75.2000111.1
600S35.9Very low39.5Very low112 Ų112161.7 Ų161.778%0.78381%0.806SS**  trans-83.9113.1168.3-62.90000110.6
601E35.8Very low39.2Very low170 Ų170163.5 Ų163.579%0.79482%0.815SS**  trans-96.1110.7170.8-176.7164.3-170.700108.8E603E601-E603 PolarHBondContact O-N 3.06Å
602E40Very low39Very low186 Ų186166.4 Ų166.487%0.86982%0.818SS**  trans-93.183.3-177.4-70.1-178.9-12700112.4
603E37.9Very low38.5Very low97 Ų97168.2 Ų168.245%0.45382%0.815SS.*  trans-169134.8153.4-116.8-173.9161.900111.5E601 R782E601-E603 PolarHBondContact O-N 3.06Å; E603-R782 VanDerWaalsContact CD-CD 3.5Å; E603-R782 WeakPolarHBondContact OE1-CD 3.12Å; E603-R782 IonicContact OE1-NE 2.72Å; E603-R782 PolarHBondContact OE1-NE 3.29Å
604E39.8Very low38.1Very low114 Ų114164.2 Ų164.253%0.53380%0.803SS.*  trans71.7137.3-177.2-44.8-174.9141.500112.5R782E604-R782 WeakPolarHBondContact OE1-CD 3.49Å; E604-R782 IonicContact OE1-CZ 3.16Å; E604-R782 IonicContact OE1-NE 3.18Å; E604-R782 IonicContact OE1-NH1 2.67Å; E604-R782 PolarHBondContact OE1-NH1 3.25Å
605E34.9Very low37.8Very low192 Ų192159.3 Ų159.390%0.89779%0.792SS**  cis-132.2162.121.8-69.1173.214400113.4
606E40.3Very low37.5Very low182 Ų182163.3 Ų163.385%0.8580%0.799SS**  trans-137.9148172.8-170.6172-13400106
607D42.1Very low36.9Very low149 Ų149161.9 Ų161.980%0.79780%0.796SS**  trans63.3100.6-170.4-61-24.2000117.2
608D35.2Very low36.1Very low166 Ų166160.5 Ų160.589%0.88880%0.795SS**  -172.5165.5112.8-105.7-26.9000112.3
609E36.6Very low35.5Very low194 Ų194161.9 Ų161.991%0.90780%0.796SS**  trans77.8113173.1-55.5-165.5172.600119.2
610E36.5Very low35.7Very low192 Ų192155.8 Ų155.890%0.89779%0.786SS**  trans-76.9149.3169-48.8169.3156.500110.5
611E36.5Very low35.3Very low202 Ų202157.7 Ų157.794%0.94478%0.782SS**  trans-164.2159131.5-116.8177.6-151.700115
612E41Very low35Very low182 Ų182156.4 Ų156.485%0.8578%0.78SS**  trans-78.9128.7-170.3170-173.6179.600114.2
613Y29.1Very low34.6Very low201 Ų201155.2 Ų155.279%0.78877%0.774SS**  trans-156.2160.7147.3-150.1-101.2000115.1
614D31.3Very low34.9Very low118 Ų118154.9 Ų154.963%0.63178%0.781SS**  trans-89.6-178.5-179.777.268.3000114.6
615G32.3Very low34.6Very low60 Ų60159.8 Ų159.862%0.61979%0.794SS**  trans133.9100.7152.400000116.5
616E29.4Very low34.3Very low187 Ų187155.1 Ų155.187%0.87478%0.783SS**  trans-64.9147.9175-54.8174133.400113.4
617I29.4Very low34.2Very low165 Ų165157.2 Ų157.285%0.84678%0.783SS**  trans-126.3111.2161.9-61-178.6000109.4
618P30.9Very low33.7Very low111 Ų111159.8 Ų159.872%0.72178%0.782SS**  trans-80.8149.6-177.6-16.832000115.8
619Q30.7Very low33.3Very low182 Ų182156.3 Ų156.385%0.8577%0.77SS**  trans-92.4169.6144.9-75.8-163.514.900108.6
620P45Very low33.2Very low109 Ų109154.7 Ų154.771%0.70877%0.766SS**  cis-129.7-135.122.130-2.2000112.2
621E26.3Very low33Very low153 Ų153151.7 Ų151.772%0.71576%0.761SS**  cis-165.7172.79.8-146.7-169.9151.100113.4
622L30.5Very low32.8Very low143 Ų143145.8 Ų145.875%0.74975%0.754SS**  trans71.2103.3156.4-62.2-172.5000123
623E31.8Very low32.3Very low160 Ų160144.4 Ų144.475%0.74875%0.753SS**  trans-48.1174.1138.4-124.2-146.6103.100113.4R625E623-R625 PolarHBondContact OE1-N 3.33Å
624P43.7Very low32.6Very low91 Ų91139 Ų13959%0.59175%0.749SS**  cis-154.417047.443-20.7000121.7
625R32.3Very low32.6Very low216 Ų216136.9 Ų136.982%0.81576%0.756SS**  trans74.1149151.7-78.8165.4177.2128.12.9118E623E623-R625 PolarHBondContact OE1-N 3.33Å
626S29.3Very low32.5Very low94 Ų94140.4 Ų140.466%0.65777%0.765SS**  cis-157.6136.515.2-158.60000115.3
627R39.1Very low32.4Very low226 Ų226137.4 Ų137.485%0.85376%0.763SS**  trans66.1153151.4-75.8178.5165.8-169-4.6118.6
628R30.3Very low32.4Very low203 Ų203132.8 Ų132.877%0.76676%0.756SS**  cis-156.2139.67.5-133.8-175.690.8-165.410.6111.8
629C28.4Very low32.4Very low94 Ų94135.5 Ų135.564%0.63576%0.764SS**  trans59.7147.3152.7-62.60000120
630L33.6Very low32.9Very low159 Ų159132.7 Ų132.783%0.83276%0.761SS**  cis-165139.4-25.2-121171.5000106.7
631V31.7Very low31.9Very low129 Ų129130.9 Ų130.978%0.78276%0.763SS**  trans-112.1145171171.80000108.6
632G32Very low31.9Very low78 Ų78133.3 Ų133.380%0.80477%0.774SS**  trans-114.5142.9166.900000109.6
633D30.6Very low31.7Very low154 Ų154133.8 Ų133.882%0.82478%0.778SS**  trans-148.7172.6-162.9-176.234.7000112.2
634A35.9Very low31.2Very low86 Ų86131.2 Ų131.271%0.71178%0.777SS**  trans81.2138.2152.800000121
635G32Very low30.3Very low75 Ų75131.1 Ų131.177%0.77378%0.778SS**  trans138.4128.6148.800000117.3
636V29.4Very low30Very low134 Ų134128.8 Ų128.881%0.81278%0.777SS**  cis-173.4177.2-48.9140.70000108.8
637C28.1Very low29.9Very low124 Ų124132.2 Ų132.284%0.83878%0.782SS**  trans91130.6178.5-58.70000115.2
638G29.3Very low29.6Very low68 Ų68128.6 Ų128.670%0.70178%0.775SS**  cis102.6139.212.100000110.8
639L31.6Very low29.6Very low167 Ų167126.8 Ų126.887%0.87478%0.776SS**  cis-156.3-16914.9-72.2172.8000108.4
640P39.9Very low29.7Very low123 Ų123129.2 Ų129.280%0.79978%0.782SS**  -123-171.8-51.235.2-19.4000111.8
641G25.1Very low29.8Very low72 Ų72130.2 Ų130.274%0.74278%0.783SS**  trans-115.8153.2158.700000111.1
642E26.5Very low29.9Very low204 Ų204132.2 Ų132.295%0.95378%0.783SS**  trans-79.8159.1179.3-72.2169.897.600112.7
643N25.1Very low30Very low153 Ų153137.1 Ų137.182%0.81879%0.785SS**  trans-121.2174.8-161.955.1-9.3000114
644S21.6Very low30.1Very low105 Ų105135.3 Ų135.373%0.73478%0.776SS**  trans-149.4165.6172.8-170.30000107.9
645S25Very low30.2Very low89 Ų89137.7 Ų137.762%0.62277%0.772SS**  trans62.3127.4-161.335.60000113.2
646E26.6Very low30.2Very low168 Ų168142.6 Ų142.679%0.78577%0.767SS**  70.7131.552.9-60.6150.3-121.300111.2
647E27.2Very low30.5Very low165 Ų165139.5 Ų139.577%0.77176%0.763SS**  cis-162.7170.7-19.4-153158.7-13400108
648E32.2Very low30.7Very low150 Ų150142 Ų14270%0.70176%0.762SS**  trans68.7148.8165.4-57.4-64.8-166.700122.7
649E30.9Very low30.6Very low166 Ų166146.3 Ų146.378%0.77676%0.764SS**  trans54.7142.9147.5-70.7169.1-152.200122.2
650D30.3Very low30.6Very low145 Ų145144.8 Ų144.878%0.77576%0.756SS**  cis-167.9-176.8-33.1-136.4-20.7000109
651E34.2Very low30.6Very low180 Ų180149.8 Ų149.884%0.84176%0.76SS**  trans66.4144168.5-58.2-172.7174.300117.9
652E34.2Very low31.1Very low170 Ų170155.6 Ų155.679%0.79477%0.767SS**  cis-174.8177.7-36.6-111.8-76.9-160.600106.6
653E35.3Very low31.5Very low181 Ų181153.1 Ų153.185%0.84676%0.76SS**  trans66.9150.2171.5-56-169.2157.700119.7
654D31.7Very low32.1Very low117 Ų117151.7 Ų151.763%0.62676%0.762SS**  -159.9-176.1-52.4-158.7-8000108.6R656D654-R656 IonicContact OD1-CZ 3.36Å; D654-R656 IonicContact OD1-NH1 2.85Å; D654-R656 PolarHBondContact OD1-NH1 3.16Å; D654-R656 IonicContact OD1-NH2 3.27Å; D654-R656 PolarHBondContact OD1-NH2 3.17Å; D654-R656 IonicContact OD2-CZ 3.76Å; D654-R656 IonicContact OD2-NH1 3.81Å; D654-R656 IonicContact OD2-NH2 2.9Å; D654-R656 PolarHBondContact OD2-NH2 3.2Å
655E37.8Very low33.2Very low136 Ų136154.7 Ų154.764%0.63677%0.77SS**  trans71.279.6150.9-59.5-116.597.100119.7
656R33.4Very low33.9Very low177 Ų177156.1 Ų156.167%0.66878%0.78SS**  53.1116.1108.5-65.8174.9-89.5-73.57.9120D654D654-R656 IonicContact OD1-CZ 3.36Å; D654-R656 IonicContact OD1-NH1 2.85Å; D654-R656 PolarHBondContact OD1-NH1 3.16Å; D654-R656 IonicContact OD1-NH2 3.27Å; D654-R656 PolarHBondContact OD1-NH2 3.17Å; D654-R656 IonicContact OD2-CZ 3.76Å; D654-R656 IonicContact OD2-NH1 3.81Å; D654-R656 IonicContact OD2-NH2 2.9Å; D654-R656 PolarHBondContact OD2-NH2 3.2Å
657G34.1Very low34.7Very low70 Ų70154 Ų15472%0.72278%0.775SS**  trans153.995.715600000112.2
658Q32.8Very low35.4Very low177 Ų177154.2 Ų154.283%0.82778%0.781SS**  62.5124.261.7-65.3-163.698.700115.8
659H27.7Very low35.9Very low158 Ų158154.4 Ų154.473%0.73178%0.782SS**  trans64.2144.8170.4-78.3-118.6000115.6
660D31.7Very low36.4Very low134 Ų134154.7 Ų154.772%0.71779%0.788SS**  cis-145.5168.43.1-121.2-33.4000113
661R40.1Very low36.8Very low229 Ų229151.1 Ų151.186%0.86478%0.779SS**  trans-100.6141.3155-50.1167.7-179153.8-2.3106.9
662E34.3Very low37Very low194 Ų194151.9 Ų151.991%0.90778%0.782SS**  trans-156.5167.1140.6-77-145151.100109.7
663D35.6Very low37.5Very low151 Ų151152.4 Ų152.481%0.80778%0.782SS**  trans-79159.5-165.8-51.3-61.3000114.9
664S37.3Very low37.6Very low123 Ų123152.3 Ų152.386%0.8678%0.782SS**  -175139.8124.9-79.70000113.2
665D44.8Very low38Very low169 Ų169156.1 Ų156.190%0.90480%0.796SS**  trans-71.4144.4160.4-78.7-57.7000111.3
666S38.9Very low38.4Very low118 Ų118156.5 Ų156.583%0.82580%0.802SS**  trans-157.4140.3142.4-143.60000111.1
667D44.7Very low38.7Very low125 Ų125153.6 Ų153.667%0.66881%0.809SS**  trans-56.9148156.1-78.5-89.6000109.9
668D41Very low39.4Very low169 Ų169157.2 Ų157.290%0.90481%0.811SS**  trans-145.4146.8130.4-129.4-32.7000110.3
669Q43.4Very low39.9Very low154 Ų154158 Ų15872%0.7282%0.815SS**  trans-120.2139.6-171.1-60169.316.200108.9
670D41.3Very low40.9Very low171 Ų171160 Ų16091%0.91483%0.825SS**  trans-142.6155.1162.2-146.5-21.3000112.4
671A37.6Very low41.8Very low70 Ų70160.6 Ų160.658%0.57983%0.828SS**  trans-89.5144.1-146.600000115
672H40.1Very low42.4Very low196 Ų196156.7 Ų156.791%0.90782%0.819SS**  trans-101.6115.4136.8-72.3-41.5000108.4E674H672-E674 PolarHBondContact O-N 3.2Å
673K44.3Very low43.6Very low182 Ų182151.7 Ų151.779%0.79180%0.804SS**  trans-62.7124.1178.9-85.5-177.4167.8-176.10111.4E675K673-E675 PolarHBondContact O-N 2.91Å
674E37Very low44.7Very low179 Ų179150.6 Ų150.684%0.83681%0.805SS**  24.196111.9-63.7166.2-144.300115.3H672H672-E674 PolarHBondContact O-N 3.2Å
675E41Very low45.7Very low197 Ų197148.2 Ų148.292%0.92178%0.782SS**  trans-108.5140.8134.1-79.3-165.2145.600108.1K673K673-E675 PolarHBondContact O-N 2.91Å
676D45.3Very low46.7Very low144 Ų144143.5 Ų143.577%0.7776%0.763SS**  trans-75.2135.6-168.7-178.79.8000112.4D678D676-D678 PolarHBondContact OD1-N 2.78Å
677S39.2Very low48.1Very low116 Ų116141.5 Ų141.581%0.81175%0.754SS**  trans-162.467.5169.9-177.80000110.8E679S677-E679 PolarHBondContact O-N 3.44Å
678D48.5Very low49.3Very low145 Ų145141.1 Ų141.178%0.77575%0.751SS**  trans-42.2118.5161.6-87.9-28.8000112.2D676D676-D678 PolarHBondContact OD1-N 2.78Å
679E44.1Very low50.7Low194 Ų194134.7 Ų134.791%0.90772%0.721SS**  trans-171.489.9137.2-107.1169.3-178.100112.6S677 D681S677-E679 PolarHBondContact O-N 3.44Å; E679-D681 VanDerWaalsContact C-N 3.34Å; E679-D681 PolarHBondContact O-N 3.15Å
680E47.8Very low52.3Low201 Ų201129.2 Ų129.294%0.93970%0.7SS**  trans-70.977.1165.3-92.5-88.4124.300111.1
681D52.2Low54Low146 Ų146128.7 Ų128.778%0.78169%0.685SS**  trans-164.358.6162.7-130.7-23.1000115.5E679 P683E679-D681 VanDerWaalsContact C-N 3.34Å; E679-D681 PolarHBondContact O-N 3.15Å; D681-P683 WeakPolarHBondContact O-CD 3.27Å
682E51.5Low56Low146 Ų146128.3 Ų128.368%0.68268%0.676SS**  trans-95.499.2163-158.3-179.2-153.600111.3L685E682-L685 VanDerWaalsContact CD-CD2 3.48Å; E682-L685 HydrophobicContact CG-CD2 4.4Å; E682-L685 WeakPolarHBondContact OE1-CD2 3.47Å; E682-L685 WeakPolarHBondContact OE2-CD2 3.46Å
683P60.8Low57.9Low90 Ų90124.2 Ų124.258%0.58466%0.655SS**  trans-65151.5-17926.7-35.6000111.7D681 L685D681-P683 WeakPolarHBondContact O-CD 3.27Å; P683-L685 PolarHBondContact O-N 3.22Å
684P57.3Low59.8Low128 Ų128123.5 Ų123.583%0.83165%0.647SS**THydrogen-bonded Turntrans-49105.3-162.617.3-33.1000112.9S686P684-S686 WeakPolarHBondContact O-CA 3.24Å; P684-S686 PolarHBondContact O-N 3.19Å
685L58.4Low62.2Low72 Ų72121.9 Ų121.938%0.37764%0.638SS.*THydrogen-bonded Turntrans-28.491.2-162.7-83174000113.6E682 P683 S690 K693E682-L685 VanDerWaalsContact CD-CD2 3.48Å; E682-L685 HydrophobicContact CG-CD2 4.4Å; E682-L685 WeakPolarHBondContact OE1-CD2 3.47Å; E682-L685 WeakPolarHBondContact OE2-CD2 3.46Å; P683-L685 PolarHBondContact O-N 3.22Å; L685-S690 PolarHBondContact O-OG 3.48Å; L685-K693 VanDerWaalsContact CD2-NZ 3.28Å
686S67.1Low64.2Low70 Ų70116.4 Ų116.449%0.4961%0.614SS.*  trans-38.4139.6-1661700000112.4P684 L688 A689 S690P684-S686 WeakPolarHBondContact O-CA 3.24Å; P684-S686 PolarHBondContact O-N 3.19Å; S686-L688 CarbonylContact O-C 3.4Å; S686-L688 PolarHBondContact O-N 3.22Å; S686-L688 PolarHBondContact OG-N 3.32Å; S686-A689 CarbonylContact O-C 3.55Å; S686-A689 WeakPolarHBondContact O-CA 3.49Å; S686-A689 WeakPolarHBondContact O-CB 3.45Å; S686-A689 PolarHBondContact O-N 2.82Å; S686-S690 PolarHBondContact O-N 3.32Å
687A68.6Low66.1Low77 Ų77113.2 Ų113.264%0.63660%0.601SS**THydrogen-bonded Turntrans-52.3-23.5178.900000113R691A687-R691 WeakPolarHBondContact O-CB 3.43Å; A687-R691 WeakPolarHBondContact O-CD 3.46Å; A687-R691 WeakPolarHBondContact O-CG 3.48Å; A687-R691 PolarHBondContact O-N 3Å
688L69.7Low68.2Low116 Ų116112.3 Ų112.361%0.60759%0.586SS**THydrogen-bonded Turntrans-73.6-52.5168.2-166.666.5000112.8S686 S690 R691 V692S686-L688 CarbonylContact O-C 3.4Å; S686-L688 PolarHBondContact O-N 3.22Å; S686-L688 PolarHBondContact OG-N 3.32Å; L688-S690 VanDerWaalsContact C-N 3.34Å; L688-S690 PolarHBondContact O-N 3.45Å; L688-R691 CarbonylContact O-C 3.48Å; L688-R691 WeakPolarHBondContact O-CA 3.36Å; L688-R691 WeakPolarHBondContact O-CB 3.35Å; L688-R691 PolarHBondContact O-N 2.9Å; L688-V692 WeakPolarHBondContact O-CG2 3.22Å; L688-V692 PolarHBondContact O-N 3.16Å
689A69.8Low69.7Low35 Ų35107.8 Ų107.829%0.28957%0.569SS.*Hα-helixtrans-57-43.917500000112.3S686 R691 V692 K693S686-A689 CarbonylContact O-C 3.55Å; S686-A689 WeakPolarHBondContact O-CA 3.49Å; S686-A689 WeakPolarHBondContact O-CB 3.45Å; S686-A689 PolarHBondContact O-N 2.82Å; A689-R691 PolarHBondContact O-N 3.37Å; A689-V692 CarbonylContact O-C 3.59Å; A689-V692 PolarHBondContact O-N 2.94Å; A689-V692 VanDerWaalsContact O-N 3.11Å; A689-K693 WeakPolarHBondContact O-CB 3.41Å; A689-K693 PolarHBondContact O-N 3.36Å
690S76.1Confident71.4Confident38 Ų38103.7 Ų103.727%0.26655%0.553SS.*Hα-helixtrans-68.6-12.3173.4-71.30000114L685 S686 L688 R694L685-S690 PolarHBondContact O-OG 3.48Å; S686-S690 PolarHBondContact O-N 3.32Å; L688-S690 VanDerWaalsContact C-N 3.34Å; L688-S690 PolarHBondContact O-N 3.45Å; S690-R694 PolarHBondContact O-NE 2.66Å; S690-R694 PolarHBondContact O-NH2 2.87Å
691R76.9Confident73.1Confident160 Ų160101.6 Ų101.660%0.60454%0.54SS*.Hα-helixtrans-93.6-31.6167.2-77.1164.870.7-1712.9112A687 L688 A689 K695A687-R691 WeakPolarHBondContact O-CB 3.43Å; A687-R691 WeakPolarHBondContact O-CD 3.46Å; A687-R691 WeakPolarHBondContact O-CG 3.48Å; A687-R691 PolarHBondContact O-N 3Å; L688-R691 CarbonylContact O-C 3.48Å; L688-R691 WeakPolarHBondContact O-CA 3.36Å; L688-R691 WeakPolarHBondContact O-CB 3.35Å; L688-R691 PolarHBondContact O-N 2.9Å; A689-R691 PolarHBondContact O-N 3.37Å; R691-K695 WeakPolarHBondContact O-CB 3.5Å; R691-K695 VanDerWaalsContact O-CG 3.31Å; R691-K695 WeakPolarHBondContact O-CG 3.41Å; R691-K695 PolarHBondContact O-N 3.04Å
692V79.5Confident74.4Confident63 Ų6398.7 Ų98.738%0.38252%0.524SS..Hα-helixtrans-67.9-57.6173.4170.50000109.8L688 A689 R694 K695 D696L688-V692 WeakPolarHBondContact O-CG2 3.22Å; L688-V692 PolarHBondContact O-N 3.16Å; A689-V692 CarbonylContact O-C 3.59Å; A689-V692 PolarHBondContact O-N 2.94Å; A689-V692 VanDerWaalsContact O-N 3.11Å; V692-R694 PolarHBondContact O-N 3.25Å; V692-K695 CarbonylContact O-C 3.59Å; V692-K695 WeakPolarHBondContact O-CA 3.44Å; V692-K695 PolarHBondContact O-N 2.91Å; V692-D696 WeakPolarHBondContact CG1-OD2 3.44Å; V692-D696 PolarHBondContact O-N 3.27Å
693K79.9Confident75.5Confident110 Ų11095.9 Ų95.948%0.47852%0.521SS..Hα-helixtrans-49.9-36.5173.2-68.4-178.8179.7177.90112.3L685 A689 T697L685-K693 VanDerWaalsContact CD2-NZ 3.28Å; A689-K693 WeakPolarHBondContact O-CB 3.41Å; A689-K693 PolarHBondContact O-N 3.36Å; K693-T697 WeakPolarHBondContact O-CB 3.2Å; K693-T697 VanDerWaalsContact O-CG2 3.31Å; K693-T697 WeakPolarHBondContact O-CG2 3.4Å; K693-T697 PolarHBondContact O-N 3.43Å; K693-T697 VanDerWaalsContact O-N 3.07Å; K693-T697 PolarHBondContact O-OG1 2.96Å
694R85.2Confident75.9Confident167 Ų16796.2 Ų96.263%0.6353%0.525SS*.Hα-helixtrans-75.3-37.5172.6-84.9-174.2-70.5179.7-6.3115S690 V692 D696 T697 L698S690-R694 PolarHBondContact O-NE 2.66Å; S690-R694 PolarHBondContact O-NH2 2.87Å; V692-R694 PolarHBondContact O-N 3.25Å; R694-D696 VanDerWaalsContact C-N 3.33Å; R694-T697 WeakPolarHBondContact CA-OG1 3.33Å; R694-T697 PolarHBondContact O-OG1 2.83Å; R694-L698 WeakPolarHBondContact O-CB 3.36Å; R694-L698 PolarHBondContact O-N 2.63Å
695K87.3Confident76.5Confident145 Ų14598 Ų9863%0.6352%0.515SS*.Hα-helixtrans-67.4-34.6173.5-83.3178.466.3-163.90111.8R691 V692 L698 A699R691-K695 WeakPolarHBondContact O-CB 3.5Å; R691-K695 VanDerWaalsContact O-CG 3.31Å; R691-K695 WeakPolarHBondContact O-CG 3.41Å; R691-K695 PolarHBondContact O-N 3.04Å; V692-K695 CarbonylContact O-C 3.59Å; V692-K695 WeakPolarHBondContact O-CA 3.44Å; V692-K695 PolarHBondContact O-N 2.91Å; K695-L698 CarbonylContact O-C 3.56Å; K695-L698 WeakPolarHBondContact O-CB 3.34Å; K695-L698 PolarHBondContact O-N 3.19Å; K695-A699 VanDerWaalsContact O-CB 3.31Å; K695-A699 WeakPolarHBondContact O-CB 3.39Å; K695-A699 PolarHBondContact O-N 3.02Å
696D83.4Confident76.3Confident81 Ų8199.5 Ų99.543%0.43353%0.53SS..Hα-helixtrans-85.2-37.2-174-55.7-20.5000110.8V692 R694 L698 A699 L700V692-D696 WeakPolarHBondContact CG1-OD2 3.44Å; V692-D696 PolarHBondContact O-N 3.27Å; R694-D696 VanDerWaalsContact C-N 3.33Å; D696-L698 VanDerWaalsContact C-N 3.3Å; D696-L698 PolarHBondContact O-N 3.05Å; D696-A699 PolarHBondContact O-N 3.14Å; D696-L700 WeakPolarHBondContact O-CB 3.45Å; D696-L700 WeakPolarHBondContact O-CG 3.14Å; D696-L700 PolarHBondContact O-N 2.91Å
697T84.3Confident75.2Confident78 Ų78101.5 Ų101.548%0.47954%0.542SS..Hα-helixtrans-66.2-30.8165.651.20000112.6K693 R694 K701K693-T697 WeakPolarHBondContact O-CB 3.2Å; K693-T697 VanDerWaalsContact O-CG2 3.31Å; K693-T697 WeakPolarHBondContact O-CG2 3.4Å; K693-T697 PolarHBondContact O-N 3.43Å; K693-T697 VanDerWaalsContact O-N 3.07Å; K693-T697 PolarHBondContact O-OG1 2.96Å; R694-T697 WeakPolarHBondContact CA-OG1 3.33Å; R694-T697 PolarHBondContact O-OG1 2.83Å; T697-K701 VanDerWaalsContact O-CB 3.3Å; T697-K701 WeakPolarHBondContact O-CB 3.38Å; T697-K701 VanDerWaalsContact O-CG 3.31Å; T697-K701 WeakPolarHBondContact O-CG 3.23Å; T697-K701 PolarHBondContact O-N 3.31Å
698L83.1Confident74.5Confident97 Ų97101.9 Ų101.951%0.50855%0.545SS..Hα-helixtrans-67.6-44.8167.3-177.471.3000111R694 K695 D696 L700 K701 L702R694-L698 WeakPolarHBondContact O-CB 3.36Å; R694-L698 PolarHBondContact O-N 2.63Å; K695-L698 CarbonylContact O-C 3.56Å; K695-L698 WeakPolarHBondContact O-CB 3.34Å; K695-L698 PolarHBondContact O-N 3.19Å; D696-L698 VanDerWaalsContact C-N 3.3Å; D696-L698 PolarHBondContact O-N 3.05Å; L698-L700 PolarHBondContact O-N 3.42Å; L698-K701 CarbonylContact O-C 3.56Å; L698-K701 VanDerWaalsContact O-C 3.3Å; L698-K701 WeakPolarHBondContact O-CA 3.48Å; L698-K701 PolarHBondContact O-N 3.09Å; L698-K701 VanDerWaalsContact O-N 3.1Å; L698-L702 HydrophobicContact CD1-CD1 4.47Å; L698-L702 HydrophobicContact CD1-CG 4.45Å; L698-L702 HydrophobicContact CD2-CD1 4.41Å; L698-L702 HydrophobicContact CG-CD1 3.98Å; L698-L702 HydrophobicContact CG-CG 4.31Å; L698-L702 WeakPolarHBondContact O-CB 3.44Å; L698-L702 VanDerWaalsContact O-CG 3.26Å; L698-L702 WeakPolarHBondContact O-CG 3.47Å; L698-L702 PolarHBondContact O-N 2.9Å
699A81.9Confident73.5Confident49 Ų49101 Ų10141%0.40555%0.546SS..Hα-helixtrans-60.6-45.317900000111.2K695 D696 K701 L702 S703K695-A699 VanDerWaalsContact O-CB 3.31Å; K695-A699 WeakPolarHBondContact O-CB 3.39Å; K695-A699 PolarHBondContact O-N 3.02Å; D696-A699 PolarHBondContact O-N 3.14Å; A699-K701 PolarHBondContact O-N 3Å; A699-L702 CarbonylContact O-C 3.56Å; A699-L702 WeakPolarHBondContact O-CA 3.4Å; A699-L702 PolarHBondContact O-N 2.97Å; A699-S703 PolarHBondContact O-N 2.95Å; A699-S703 PolarHBondContact O-OG 3.31Å
700L79.4Confident72.2Confident109 Ų109105.7 Ų105.757%0.57157%0.567SS**Hα-helixtrans-60.2-42.5171.4-70.9166.9000111.7D696 L698 L702 S703 S704D696-L700 WeakPolarHBondContact O-CB 3.45Å; D696-L700 WeakPolarHBondContact O-CG 3.14Å; D696-L700 PolarHBondContact O-N 2.91Å; L698-L700 PolarHBondContact O-N 3.42Å; L700-L702 PolarHBondContact O-N 3.12Å; L700-S703 WeakPolarHBondContact CA-OG 3.49Å; L700-S703 PolarHBondContact O-OG 2.91Å; L700-S704 WeakPolarHBondContact O-CB 3.35Å; L700-S704 PolarHBondContact O-N 2.88Å; L700-S704 PolarHBondContact O-OG 2.91Å
701K82.3Confident70.9Confident157 Ų157110.4 Ų110.468%0.68358%0.579SS**Hα-helixtrans-71.5-3.1172.2-76-179.9175.1179.80114.8T697 L698 A699 R705T697-K701 VanDerWaalsContact O-CB 3.3Å; T697-K701 WeakPolarHBondContact O-CB 3.38Å; T697-K701 VanDerWaalsContact O-CG 3.31Å; T697-K701 WeakPolarHBondContact O-CG 3.23Å; T697-K701 PolarHBondContact O-N 3.31Å; L698-K701 CarbonylContact O-C 3.56Å; L698-K701 VanDerWaalsContact O-C 3.3Å; L698-K701 WeakPolarHBondContact O-CA 3.48Å; L698-K701 PolarHBondContact O-N 3.09Å; L698-K701 VanDerWaalsContact O-N 3.1Å; A699-K701 PolarHBondContact O-N 3Å; K701-R705 WeakPolarHBondContact O-CG 3.21Å
702L80.1Confident69.4Low84 Ų84107.2 Ų107.244%0.4457%0.574SS.*Hα-helixtrans-108-35.7173.4-71177000111.8L698 A699 L700 R705L698-L702 HydrophobicContact CD1-CD1 4.47Å; L698-L702 HydrophobicContact CD1-CG 4.45Å; L698-L702 HydrophobicContact CD2-CD1 4.41Å; L698-L702 HydrophobicContact CG-CD1 3.98Å; L698-L702 HydrophobicContact CG-CG 4.31Å; L698-L702 WeakPolarHBondContact O-CB 3.44Å; L698-L702 VanDerWaalsContact O-CG 3.26Å; L698-L702 WeakPolarHBondContact O-CG 3.47Å; L698-L702 PolarHBondContact O-N 2.9Å; A699-L702 CarbonylContact O-C 3.56Å; A699-L702 WeakPolarHBondContact O-CA 3.4Å; A699-L702 PolarHBondContact O-N 2.97Å; L700-L702 PolarHBondContact O-N 3.12Å; L702-R705 WeakPolarHBondContact O-CB 3.41Å; L702-R705 PolarHBondContact O-N 3.44Å
703S75.3Confident67.8Low87 Ų87114.2 Ų114.261%0.60859%0.593SS**Hα-helixtrans-74.4-33.3172.962.10000112.2A699 L700 R705A699-S703 PolarHBondContact O-N 2.95Å; A699-S703 PolarHBondContact O-OG 3.31Å; L700-S703 WeakPolarHBondContact CA-OG 3.49Å; L700-S703 PolarHBondContact O-OG 2.91Å; S703-R705 VanDerWaalsContact C-N 3.25Å
704S68.6Low65.9Low97 Ų97117 Ų11768%0.67861%0.606SS**THydrogen-bonded Turntrans-86.711.1171.6-54.60000112.9L700L700-S704 WeakPolarHBondContact O-CB 3.35Å; L700-S704 PolarHBondContact O-N 2.88Å; L700-S704 PolarHBondContact O-OG 2.91Å
705R69.9Low64Low165 Ų165111.2 Ų111.262%0.62359%0.589SS**SBendtrans-73.4126.1153.4-69.5178.2179.6-163.5-0.6106.4K701 L702 S703 C707K701-R705 WeakPolarHBondContact O-CG 3.21Å; L702-R705 WeakPolarHBondContact O-CB 3.41Å; L702-R705 PolarHBondContact O-N 3.44Å; S703-R705 VanDerWaalsContact C-N 3.25Å; R705-C707 PolarHBondContact O-N 3.49Å; R705-C707 VanDerWaalsContact O-N 3.15Å
706P54.9Low61.9Low105 Ų105111.2 Ų111.268%0.68259%0.591SS**PPolyproline II helixtrans-56.3126.417423.9-32.9000108.7A708P706-A708 PolarHBondContact O-N 2.74Å
707C43.2Very low60.1Low112 Ų112115.2 Ų115.276%0.75761%0.607SS**PPolyproline II helixtrans-57.3133.8177.6-168.90000108.8R705 P709R705-C707 PolarHBondContact O-N 3.49Å; R705-C707 VanDerWaalsContact O-N 3.15Å; C707-P709 WeakPolarHBondContact O-CD 3.43Å
708A53.6Low58.4Low85 Ų85121.1 Ų121.170%0.70262%0.621SS**THydrogen-bonded Turntrans-7399.1177.600000108.9P706P706-A708 PolarHBondContact O-N 2.74Å
709P49.4Very low56.4Low96 Ų96119.5 Ų119.562%0.62362%0.617SS**THydrogen-bonded Turn-123.7-1310636.2-33.7000114.4C707 R711 D712C707-P709 WeakPolarHBondContact O-CD 3.43Å; P709-R711 VanDerWaalsContact C-N 3.32Å; P709-R711 PolarHBondContact O-N 3.41Å; P709-D712 PolarHBondContact O-N 2.85Å
710D42.9Very low54.4Low135 Ų135121.6 Ų121.672%0.72263%0.629SS**THydrogen-bonded Turntrans-92.820.8-169.3-14717.5000115
711R47.8Very low52.7Low136 Ų136120.5 Ų120.551%0.51362%0.618SS.*THydrogen-bonded Turntrans-102.9-15.3164.6-88-160.263.1178.6-7.6113.8P709 T715P709-R711 VanDerWaalsContact C-N 3.32Å; P709-R711 PolarHBondContact O-N 3.41Å; R711-T715 PolarHBondContact NE-OG1 3.24Å; R711-T715 PolarHBondContact NH2-OG1 2.79Å; R711-T715 VanDerWaalsContact NH2-OG1 3.09Å; R711-T715 WeakPolarHBondContact O-CA 3.49Å; R711-T715 PolarHBondContact O-N 2.59Å; R711-T715 PolarHBondContact O-OG1 3.22Å
712D45Very low50.7Low94 Ų94116.7 Ų116.750%0.50360%0.602SS.*Hα-helixtrans-71.1-31.1-179.8-78.3-51.4000112.5P709 F714 Q716P709-D712 PolarHBondContact O-N 2.85Å; D712-F714 PolarHBondContact O-N 2.89Å; D712-Q716 WeakPolarHBondContact O-CB 3.39Å
713R45.5Very low48.8Very low210 Ų210119.6 Ų119.679%0.79262%0.618SS**Hα-helixtrans-69.5-27.7-177-171.6171.2-72.7-981.7114.6
714F41.9Very low47.1Very low169 Ų169121.3 Ų121.374%0.74162%0.616SS**Hα-helixtrans-133.3-6.3-176.6-103.6-78.8000116D712D712-F714 PolarHBondContact O-N 2.89Å
715T43.3Very low45.6Very low44 Ų44121.6 Ų121.627%0.2762%0.616SS.*Hα-helixtrans-117.8-1.1172.964.90000115.5R711 E717 R718 S719R711-T715 PolarHBondContact NE-OG1 3.24Å; R711-T715 PolarHBondContact NH2-OG1 2.79Å; R711-T715 VanDerWaalsContact NH2-OG1 3.09Å; R711-T715 WeakPolarHBondContact O-CA 3.49Å; R711-T715 PolarHBondContact O-N 2.59Å; R711-T715 PolarHBondContact O-OG1 3.22Å; T715-E717 PolarHBondContact O-N 3.38Å; T715-R718 CarbonylContact O-C 3.48Å; T715-R718 PolarHBondContact O-N 3.32Å; T715-S719 PolarHBondContact O-N 3.23Å
716Q43.5Very low44.5Very low145 Ų145120 Ų12068%0.67863%0.627SS**THydrogen-bonded Turntrans-62.1-27.3163.6-174.8165.483.600111.9D712D712-Q716 WeakPolarHBondContact O-CB 3.39Å
717E46.2Very low43.8Very low166 Ų166117.8 Ų117.878%0.77662%0.624SS**THydrogen-bonded Turntrans-81.6-16.3169.5-169.5169.3-152.800113.2T715 L731T715-E717 PolarHBondContact O-N 3.38Å; E717-L731 WeakPolarHBondContact O-CD2 3.42Å
718R48Very low43.9Very low201 Ų201118.3 Ų118.376%0.75862%0.615SS**THydrogen-bonded Turntrans-124.71-167.7-132.5175.1-168.2-129.5-0.4119.2T715 L731T715-R718 CarbonylContact O-C 3.48Å; T715-R718 PolarHBondContact O-N 3.32Å; R718-L731 HydrophobicContact CB-CD1 4.31Å; R718-L731 HydrophobicContact CG-CD1 3.68Å
719S41.6Very low43.3Very low63 Ų63120 Ų12044%0.44162%0.617SS.*  trans-156.786.4169.3-171.50000114.7T715 R721T715-S719 PolarHBondContact O-N 3.23Å; S719-R721 PolarHBondContact OG-O 3.33Å
720S39.5Very low42.8Very low94 Ų94117.6 Ų117.666%0.65761%0.61SS**SBendtrans-105.736.3157.9-64.20000110.9
721R44Very low42.9Very low86 Ų86113.8 Ų113.833%0.32559%0.589SS.*  trans-165.9136.2-176.7-130.2-165.4166.9-175.2-16.2106.3S719 T729 G730 L731 T732S719-R721 PolarHBondContact OG-O 3.33Å; R721-T729 PolarHBondContact NH1-O 2.94Å; R721-G730 WeakPolarHBondContact CD-O 3.16Å; R721-G730 PolarHBondContact NH1-O 3.33Å; R721-L731 VanDerWaalsContact CB-N 3.34Å; R721-T732 HydrophobicContact CG-CG2 4.44Å
722E39.8Very low42.9Very low77 Ų77110.9 Ų110.936%0.3659%0.587SS.*  cis-156.5142.413.8-161.3145.9-13800110.4
723D40.1Very low43.3Very low144 Ų144113.6 Ų113.677%0.7759%0.59SS**  trans-160.1116.8168.5-126.7-10.9000108
724Q39.7Very low44.1Very low123 Ų123112.2 Ų112.258%0.57559%0.592SS**SBendcis-154.1152.2-22.2-132.4179.8104.500107.7
725P38.3Very low45.9Very low104 Ų104105.6 Ų105.668%0.67557%0.567SS**SBend-137.4-16989.944.1-30.6000110.8G727P725-G727 PolarHBondContact O-N 3.1Å
726P46.1Very low48Very low130 Ų130112 Ų11284%0.84459%0.587SS**SBendtrans-75.1116.8-158.129.5-33.3000113.4
727G40.7Very low50.2Low60 Ų60112.1 Ų112.162%0.61959%0.587SS**  trans165.334.8178.800000113.1P725 T729P725-G727 PolarHBondContact O-N 3.1Å; G727-T729 PolarHBondContact O-N 3.38Å
728Q44.1Very low52.2Low123 Ų123108.9 Ų108.958%0.57557%0.572SS**  trans-66.4129.2-165.4-61.7-179.913.300112.9
729T40.8Very low54.1Low119 Ų119103.7 Ų103.773%0.7355%0.552SS**  trans-167.8104.1147.14.20000111.9R721 G727R721-T729 PolarHBondContact NH1-O 2.94Å; G727-T729 PolarHBondContact O-N 3.38Å
730G39.7Very low56.6Low47 Ų47104 Ų10449%0.48555%0.547SS..  trans65.4129.6149.300000119.3R721R721-G730 WeakPolarHBondContact CD-O 3.16Å; R721-G730 PolarHBondContact NH1-O 3.33Å
731L46Very low59.1Low54 Ų54102.2 Ų102.228%0.28354%0.538SS..  trans30.399.1148.9-71.5158.7000118.5E717 R718 R721 W733E717-L731 WeakPolarHBondContact O-CD2 3.42Å; R718-L731 HydrophobicContact CB-CD1 4.31Å; R718-L731 HydrophobicContact CG-CD1 3.68Å; R721-L731 VanDerWaalsContact CB-N 3.34Å; L731-W733 PolarHBondContact O-N 3.14Å
732T47.8Very low61.6Low76 Ų76101 Ų10147%0.46654%0.537SS..  trans-80.9101.1166.129.60000111.9R721 Q734R721-T732 HydrophobicContact CG-CG2 4.44Å; T732-Q734 PolarHBondContact O-N 3.13Å
733W51.9Low64.2Low151 Ų151103.1 Ų103.157%0.57254%0.542SS*.  trans-44.6132.5139-5981.4000108.3L731 S735 W739L731-W733 PolarHBondContact O-N 3.14Å; W733-S735 CarbonylContact O-C 3.6Å; W733-S735 PolarHBondContact O-N 2.89Å; W733-W739 HydrophobicContact CB-CB 4.12Å; W733-W739 HydrophobicContact CB-CE3 4.2Å; W733-W739 AromaticContact CD1-CE3 3.83Å; W733-W739 HydrophobicContact CD2-CD2 4.43Å; W733-W739 AromaticContact CD2-CE3 3.46Å; W733-W739 HydrophobicContact CD2-CE3 3.46Å; W733-W739 VanDerWaalsContact CD2-CE3 3.46Å; W733-W739 AromaticContact CD2-CZ3 3.51Å; W733-W739 HydrophobicContact CD2-CZ3 3.51Å; W733-W739 AromaticContact CE2-CE3 3.75Å; W733-W739 AromaticContact CE2-CH2 3.94Å; W733-W739 AromaticContact CE2-CZ3 3.31Å; W733-W739 AromaticContact CE3-CE3 3.89Å; W733-W739 HydrophobicContact CE3-CE3 3.89Å; W733-W739 AromaticContact CE3-CZ3 3.92Å; W733-W739 HydrophobicContact CE3-CZ3 3.92Å; W733-W739 HydrophobicContact CG-CD2 4.1Å; W733-W739 AromaticContact CG-CE3 3.57Å; W733-W739 HydrophobicContact CG-CE3 3.57Å; W733-W739 HydrophobicContact CG-CZ3 4.02Å; W733-W739 HydrophobicContact CH2-CZ3 4.02Å; W733-W739 HydrophobicContact CZ2-CE3 4.42Å; W733-W739 HydrophobicContact CZ2-CH2 4.13Å; W733-W739 AromaticContact CZ2-CZ3 3.6Å; W733-W739 HydrophobicContact CZ2-CZ3 3.6Å; W733-W739 HydrophobicContact CZ3-CZ3 4.16Å; W733-W739 AromaticContact NE1-CE3 3.93Å; W733-W739 AromaticContact NE1-CH2 3.94Å; W733-W739 AromaticContact NE1-CZ3 3.65Å
734Q63.2Low66.9Low180 Ų180100.5 Ų100.584%0.84153%0.531SS*.SBendtrans-64.9-9.6-148.6-64.1179.71200116.9T732T732-Q734 PolarHBondContact O-N 3.13Å
735S78.5Confident69.7Low31 Ų31101 Ų10122%0.21753%0.534CS..  trans-146.2151.6152.11700000109W733 E737 Q738 W739W733-S735 CarbonylContact O-C 3.6Å; W733-S735 PolarHBondContact O-N 2.89Å; S735-E737 PolarHBondContact O-N 2.75Å; S735-E737 WeakPolarHBondContact OG-CB 3.27Å; S735-E737 PolarHBondContact OG-N 2.62Å; S735-E737 VanDerWaalsContact OG-N 3.08Å; S735-E737 PolarHBondContact OG-OE2 3.28Å; S735-Q738 WeakPolarHBondContact O-CB 3.15Å; S735-Q738 PolarHBondContact O-N 2.66Å; S735-Q738 VanDerWaalsContact O-N 3.1Å; S735-W739 PolarHBondContact O-N 2.62Å
736R88.6Confident72.5Confident179 Ų179101 Ų10168%0.67553%0.527SS*.Hα-helixtrans-51.4-42.1166.1170.5179.9-74.8-836.9110.8Q738 W739 E740R736-Q738 VanDerWaalsContact C-N 3.35Å; R736-Q738 PolarHBondContact O-N 3.37Å; R736-W739 WeakPolarHBondContact O-CB 3.3Å; R736-W739 PolarHBondContact O-N 3.17Å; R736-E740 VanDerWaalsContact CG-CD 3.46Å; R736-E740 WeakPolarHBondContact CG-OE1 3.35Å; R736-E740 IonicContact NH1-OE1 3.07Å; R736-E740 PolarHBondContact NH1-OE1 3.06Å; R736-E740 VanDerWaalsContact NH1-OE1 3.07Å; R736-E740 WeakPolarHBondContact O-CB 3.45Å; R736-E740 WeakPolarHBondContact O-CG 3.37Å; R736-E740 PolarHBondContact O-N 2.85Å
737E89.5Confident75Confident147 Ų14796.3 Ų96.369%0.68750%0.502SS*.Hα-helixtrans-66.9-36.3-180-55.3158.6142.700111.4S735 E740 A741S735-E737 PolarHBondContact O-N 2.75Å; S735-E737 WeakPolarHBondContact OG-CB 3.27Å; S735-E737 PolarHBondContact OG-N 2.62Å; S735-E737 VanDerWaalsContact OG-N 3.08Å; S735-E737 PolarHBondContact OG-OE2 3.28Å; E737-E740 PolarHBondContact O-N 3.11Å; E737-A741 VanDerWaalsContact O-CB 3.22Å; E737-A741 WeakPolarHBondContact O-CB 3.33Å; E737-A741 PolarHBondContact O-N 3.31Å
738Q88.4Confident77.7Confident98 Ų9897.3 Ų97.346%0.45850%0.496SS..Hα-helixtrans-68.5-40.7174.7-71.3173900111S735 R736 E740 A741 I742S735-Q738 WeakPolarHBondContact O-CB 3.15Å; S735-Q738 PolarHBondContact O-N 2.66Å; S735-Q738 VanDerWaalsContact O-N 3.1Å; R736-Q738 VanDerWaalsContact C-N 3.35Å; R736-Q738 PolarHBondContact O-N 3.37Å; Q738-E740 VanDerWaalsContact C-N 3.33Å; Q738-A741 PolarHBondContact O-N 2.95Å; Q738-I742 WeakPolarHBondContact O-CB 3.48Å; Q738-I742 WeakPolarHBondContact O-CD1 3.23Å; Q738-I742 WeakPolarHBondContact O-CG1 3.39Å; Q738-I742 PolarHBondContact O-N 3.31Å
739W87.6Confident80.3Confident91 Ų9192.8 Ų92.835%0.34548%0.48SS..Hα-helixtrans-64.4-37.2173.2179.5-119.5000112W733 S735 R736 R743W733-W739 HydrophobicContact CB-CB 4.12Å; W733-W739 HydrophobicContact CB-CE3 4.2Å; W733-W739 AromaticContact CD1-CE3 3.83Å; W733-W739 HydrophobicContact CD2-CD2 4.43Å; W733-W739 AromaticContact CD2-CE3 3.46Å; W733-W739 HydrophobicContact CD2-CE3 3.46Å; W733-W739 VanDerWaalsContact CD2-CE3 3.46Å; W733-W739 AromaticContact CD2-CZ3 3.51Å; W733-W739 HydrophobicContact CD2-CZ3 3.51Å; W733-W739 AromaticContact CE2-CE3 3.75Å; W733-W739 AromaticContact CE2-CH2 3.94Å; W733-W739 AromaticContact CE2-CZ3 3.31Å; W733-W739 AromaticContact CE3-CE3 3.89Å; W733-W739 HydrophobicContact CE3-CE3 3.89Å; W733-W739 AromaticContact CE3-CZ3 3.92Å; W733-W739 HydrophobicContact CE3-CZ3 3.92Å; W733-W739 HydrophobicContact CG-CD2 4.1Å; W733-W739 AromaticContact CG-CE3 3.57Å; W733-W739 HydrophobicContact CG-CE3 3.57Å; W733-W739 HydrophobicContact CG-CZ3 4.02Å; W733-W739 HydrophobicContact CH2-CZ3 4.02Å; W733-W739 HydrophobicContact CZ2-CE3 4.42Å; W733-W739 HydrophobicContact CZ2-CH2 4.13Å; W733-W739 AromaticContact CZ2-CZ3 3.6Å; W733-W739 HydrophobicContact CZ2-CZ3 3.6Å; W733-W739 HydrophobicContact CZ3-CZ3 4.16Å; W733-W739 AromaticContact NE1-CE3 3.93Å; W733-W739 AromaticContact NE1-CH2 3.94Å; W733-W739 AromaticContact NE1-CZ3 3.65Å; S735-W739 PolarHBondContact O-N 2.62Å; R736-W739 WeakPolarHBondContact O-CB 3.3Å; R736-W739 PolarHBondContact O-N 3.17Å; W739-R743 HydrophobicContact CD2-CG 4.48Å; W739-R743 WeakPolarHBondContact O-CB 3.48Å; W739-R743 VanDerWaalsContact O-CG 3.26Å; W739-R743 WeakPolarHBondContact O-CG 3.42Å; W739-R743 PolarHBondContact O-N 3.33Å
740E93.6Very high83Confident69 Ų6991.4 Ų91.432%0.32247%0.467SS..Hα-helixtrans-73.8-36.1176.5-75.8160.5-167.600112.1R736 E737 Q738 R743 T744R736-E740 VanDerWaalsContact CG-CD 3.46Å; R736-E740 WeakPolarHBondContact CG-OE1 3.35Å; R736-E740 IonicContact NH1-OE1 3.07Å; R736-E740 PolarHBondContact NH1-OE1 3.06Å; R736-E740 VanDerWaalsContact NH1-OE1 3.07Å; R736-E740 WeakPolarHBondContact O-CB 3.45Å; R736-E740 WeakPolarHBondContact O-CG 3.37Å; R736-E740 PolarHBondContact O-N 2.85Å; E737-E740 PolarHBondContact O-N 3.11Å; Q738-E740 VanDerWaalsContact C-N 3.33Å; E740-R743 IonicContact OE1-NH2 2.62Å; E740-R743 PolarHBondContact OE1-NH2 3Å; E740-T744 VanDerWaalsContact O-CB 3.31Å; E740-T744 WeakPolarHBondContact O-CB 3.31Å; E740-T744 PolarHBondContact O-N 2.87Å; E740-T744 PolarHBondContact O-OG1 3.41Å
741A93.4Very high85.8Confident57 Ų5793.7 Ų93.747%0.47147%0.472SS..Hα-helixtrans-65.2-44.1169.900000112E737 Q738 T744 Q745E737-A741 VanDerWaalsContact O-CB 3.22Å; E737-A741 WeakPolarHBondContact O-CB 3.33Å; E737-A741 PolarHBondContact O-N 3.31Å; Q738-A741 PolarHBondContact O-N 2.95Å; A741-T744 PolarHBondContact O-N 3.27Å; A741-Q745 VanDerWaalsContact O-CB 3.28Å; A741-Q745 WeakPolarHBondContact O-CB 3.48Å; A741-Q745 PolarHBondContact O-N 3.26Å
742I94.8Very high88.3Confident62 Ų6297.8 Ų97.832%0.31848%0.484SS..Hα-helixtrans-64.3-45.6175.4-72165.1000110.5Q738 T744 Q745 I746Q738-I742 WeakPolarHBondContact O-CB 3.48Å; Q738-I742 WeakPolarHBondContact O-CD1 3.23Å; Q738-I742 WeakPolarHBondContact O-CG1 3.39Å; Q738-I742 PolarHBondContact O-N 3.31Å; I742-T744 VanDerWaalsContact C-N 3.3Å; I742-T744 PolarHBondContact O-N 2.85Å; I742-Q745 PolarHBondContact O-N 2.99Å; I742-I746 HydrophobicContact CG2-CD1 3.69Å; I742-I746 HydrophobicContact CG2-CG1 4.36Å; I742-I746 WeakPolarHBondContact O-CB 3.4Å; I742-I746 VanDerWaalsContact O-CG1 3.29Å; I742-I746 WeakPolarHBondContact O-CG1 3.31Å; I742-I746 PolarHBondContact O-N 2.78Å
743R96Very high90.7Very high120 Ų120103.3 Ų103.345%0.45350%0.496SS..Hα-helixtrans-58.8-41.2174-76.4-172.1-69172.7-1.2111.8W739 E740 G747W739-R743 HydrophobicContact CD2-CG 4.48Å; W739-R743 WeakPolarHBondContact O-CB 3.48Å; W739-R743 VanDerWaalsContact O-CG 3.26Å; W739-R743 WeakPolarHBondContact O-CG 3.42Å; W739-R743 PolarHBondContact O-N 3.33Å; E740-R743 IonicContact OE1-NH2 2.62Å; E740-R743 PolarHBondContact OE1-NH2 3Å; R743-G747 PolarHBondContact O-N 3.4Å
744T97.2Very high92.8Very high89 Ų89100.9 Ų100.955%0.54649%0.494SS..Hα-helixtrans-69.2-38.3176.6-560000112.2E740 A741 I742 G747 T748E740-T744 VanDerWaalsContact O-CB 3.31Å; E740-T744 WeakPolarHBondContact O-CB 3.31Å; E740-T744 PolarHBondContact O-N 2.87Å; E740-T744 PolarHBondContact O-OG1 3.41Å; A741-T744 PolarHBondContact O-N 3.27Å; I742-T744 VanDerWaalsContact C-N 3.3Å; I742-T744 PolarHBondContact O-N 2.85Å; T744-G747 PolarHBondContact O-N 3.47Å; T744-T748 HydrophobicContact CG2-CG2 4.38Å; T744-T748 WeakPolarHBondContact O-CB 3.45Å; T744-T748 WeakPolarHBondContact O-CG2 3.42Å; T744-T748 PolarHBondContact O-N 3.43Å; T744-T748 PolarHBondContact O-OG1 3.07Å
745Q97.6Very high94.4Very high134 Ų13496.8 Ų96.863%0.62649%0.485SS*.Hα-helixtrans-66.7-43.1176.1-173.9-178.71000111.5A741 I742 T748 A749A741-Q745 VanDerWaalsContact O-CB 3.28Å; A741-Q745 WeakPolarHBondContact O-CB 3.48Å; A741-Q745 PolarHBondContact O-N 3.26Å; I742-Q745 PolarHBondContact O-N 2.99Å; Q745-T748 PolarHBondContact O-OG1 3.2Å; Q745-A749 WeakPolarHBondContact O-CB 3.5Å; Q745-A749 PolarHBondContact O-N 2.88Å
746I97.4Very high95.3Very high105 Ų105102 Ų10254%0.53851%0.506SS..Hα-helixtrans-64-47.9173.8-68.7168.5000109.8I742 A749 L750I742-I746 HydrophobicContact CG2-CD1 3.69Å; I742-I746 HydrophobicContact CG2-CG1 4.36Å; I742-I746 WeakPolarHBondContact O-CB 3.4Å; I742-I746 VanDerWaalsContact O-CG1 3.29Å; I742-I746 WeakPolarHBondContact O-CG1 3.31Å; I742-I746 PolarHBondContact O-N 2.78Å; I746-A749 PolarHBondContact O-N 3.03Å; I746-L750 VanDerWaalsContact O-CB 3.24Å; I746-L750 WeakPolarHBondContact O-CB 3.5Å; I746-L750 PolarHBondContact O-N 3.47Å
747G98.3Very high95.7Very high30 Ų30102.8 Ų102.831%0.30951%0.509SS..Hα-helixtrans-58-52.817800000112.7R743 T744 A749 L750 T751R743-G747 PolarHBondContact O-N 3.4Å; T744-G747 PolarHBondContact O-N 3.47Å; G747-A749 VanDerWaalsContact C-N 3.34Å; G747-A749 PolarHBondContact O-N 3.04Å; G747-L750 PolarHBondContact O-N 3.34Å; G747-T751 PolarHBondContact O-N 2.66Å; G747-T751 PolarHBondContact O-OG1 3.34Å; G747-T751 VanDerWaalsContact O-OG1 3.07Å
748T97.9Very high96Very high81 Ų8198.3 Ų98.350%0.49749%0.493SS..Hα-helixtrans-66-32.1178.753.50000113.4T744 Q745 R752T744-T748 HydrophobicContact CG2-CG2 4.38Å; T744-T748 WeakPolarHBondContact O-CB 3.45Å; T744-T748 WeakPolarHBondContact O-CG2 3.42Å; T744-T748 PolarHBondContact O-N 3.43Å; T744-T748 PolarHBondContact O-OG1 3.07Å; Q745-T748 PolarHBondContact O-OG1 3.2Å; T748-R752 WeakPolarHBondContact O-CB 3.38Å; T748-R752 PolarHBondContact O-N 2.88Å; T748-R752 PolarHBondContact O-NH1 3.39Å
749A98.1Very high96.4Very high28 Ų2897.3 Ų97.323%0.23149%0.493CS..Hα-helixtrans-70.6-38.5171.500000112.4Q745 I746 G747 R753Q745-A749 WeakPolarHBondContact O-CB 3.5Å; Q745-A749 PolarHBondContact O-N 2.88Å; I746-A749 PolarHBondContact O-N 3.03Å; G747-A749 VanDerWaalsContact C-N 3.34Å; G747-A749 PolarHBondContact O-N 3.04Å; A749-R753 WeakPolarHBondContact O-CG 3.37Å; A749-R753 PolarHBondContact O-N 3.24Å
750L98.3Very high96.7Very high91 Ų9195.9 Ų95.948%0.47650%0.501SS..Hα-helixtrans-67.6-49.3176.9-179.660.9000111I746 G747 R752 R753 L754I746-L750 VanDerWaalsContact O-CB 3.24Å; I746-L750 WeakPolarHBondContact O-CB 3.5Å; I746-L750 PolarHBondContact O-N 3.47Å; G747-L750 PolarHBondContact O-N 3.34Å; L750-R752 VanDerWaalsContact C-N 3.27Å; L750-R752 PolarHBondContact O-N 3.49Å; L750-R753 CarbonylContact O-C 3.31Å; L750-R753 PolarHBondContact O-N 2.82Å; L750-L754 HydrophobicContact CD1-CD1 4Å; L750-L754 HydrophobicContact CD1-CD2 4.42Å; L750-L754 HydrophobicContact CD1-CG 3.95Å; L750-L754 HydrophobicContact CD2-CD1 4.48Å; L750-L754 HydrophobicContact CG-CD1 3.84Å; L750-L754 HydrophobicContact CG-CG 4.22Å; L750-L754 WeakPolarHBondContact O-CG 3.14Å; L750-L754 PolarHBondContact O-N 3.22Å
751T97.8Very high96.7Very high95 Ų9598.4 Ų98.458%0.58351%0.513SS*.Hα-helixtrans-53.8-45175.6-58.30000111.3G747 R753 L754 S755G747-T751 PolarHBondContact O-N 2.66Å; G747-T751 PolarHBondContact O-OG1 3.34Å; G747-T751 VanDerWaalsContact O-OG1 3.07Å; T751-R753 PolarHBondContact O-N 2.88Å; T751-L754 PolarHBondContact O-N 3.43Å; T751-S755 WeakPolarHBondContact O-CB 3.12Å; T751-S755 PolarHBondContact O-N 3.14Å; T751-S755 PolarHBondContact O-OG 2.8Å
752R98.1Very high96.7Very high140 Ų14098.9 Ų98.953%0.52851%0.505SS..Hα-helixtrans-65.5-36.4176.6-175173.367-101.54.7113.3T748 L750 S755 Q756T748-R752 WeakPolarHBondContact O-CB 3.38Å; T748-R752 PolarHBondContact O-N 2.88Å; T748-R752 PolarHBondContact O-NH1 3.39Å; L750-R752 VanDerWaalsContact C-N 3.27Å; L750-R752 PolarHBondContact O-N 3.49Å; R752-S755 PolarHBondContact O-OG 3.49Å; R752-Q756 WeakPolarHBondContact O-CB 3.33Å; R752-Q756 VanDerWaalsContact O-CG 3.31Å; R752-Q756 WeakPolarHBondContact O-CG 3.49Å; R752-Q756 PolarHBondContact O-N 2.78Å
753R97.9Very high96.7Very high191 Ų19198.4 Ų98.472%0.72150%0.503SS*.Hα-helixtrans-69.9-40.8174.8-77.7176.4173.4-173.3-1.6111.7A749 L750 T751 Q756 R757A749-R753 WeakPolarHBondContact O-CG 3.37Å; A749-R753 PolarHBondContact O-N 3.24Å; L750-R753 CarbonylContact O-C 3.31Å; L750-R753 PolarHBondContact O-N 2.82Å; T751-R753 PolarHBondContact O-N 2.88Å; R753-Q756 CarbonylContact O-C 3.6Å; R753-Q756 VanDerWaalsContact O-C 3.31Å; R753-Q756 PolarHBondContact O-N 2.85Å; R753-Q756 VanDerWaalsContact O-N 3.17Å; R753-R757 PolarHBondContact O-N 2.81Å
754L97.2Very high96.5Very high100 Ų10096.7 Ų96.752%0.52450%0.5SS..Hα-helixtrans-68.1-38.9178.3-68.2175.4000111.7L750 T751 Q756 R757L750-L754 HydrophobicContact CD1-CD1 4Å; L750-L754 HydrophobicContact CD1-CD2 4.42Å; L750-L754 HydrophobicContact CD1-CG 3.95Å; L750-L754 HydrophobicContact CD2-CD1 4.48Å; L750-L754 HydrophobicContact CG-CD1 3.84Å; L750-L754 HydrophobicContact CG-CG 4.22Å; L750-L754 WeakPolarHBondContact O-CG 3.14Å; L750-L754 PolarHBondContact O-N 3.22Å; T751-L754 PolarHBondContact O-N 3.43Å; L754-Q756 PolarHBondContact O-N 2.91Å; L754-R757 WeakPolarHBondContact O-CB 3.4Å; L754-R757 PolarHBondContact O-N 3.36Å
755S97.2Very high96.4Very high94 Ų9498.9 Ų98.966%0.65750%0.504SS*.THydrogen-bonded Turntrans-71.1-4.5172.772.80000114.2T751 R752T751-S755 WeakPolarHBondContact O-CB 3.12Å; T751-S755 PolarHBondContact O-N 3.14Å; T751-S755 PolarHBondContact O-OG 2.8Å; R752-S755 PolarHBondContact O-OG 3.49Å
756Q96.2Very high96.3Very high140 Ų14098.7 Ų98.765%0.65450%0.498SS*.THydrogen-bonded Turntrans-123.416.7176.5-65.5-179.1-16.900111.9R752 R753 L754 P758R752-Q756 WeakPolarHBondContact O-CB 3.33Å; R752-Q756 VanDerWaalsContact O-CG 3.31Å; R752-Q756 WeakPolarHBondContact O-CG 3.49Å; R752-Q756 PolarHBondContact O-N 2.78Å; R753-Q756 CarbonylContact O-C 3.6Å; R753-Q756 VanDerWaalsContact O-C 3.31Å; R753-Q756 PolarHBondContact O-N 2.85Å; R753-Q756 VanDerWaalsContact O-N 3.17Å; L754-Q756 PolarHBondContact O-N 2.91Å; Q756-P758 WeakPolarHBondContact O-CD 3.4Å
757R96.9Very high95.9Very high196 Ų19698.5 Ų98.574%0.7450%0.498SS*.PPolyproline II helixtrans-71.3119.3-179.9-178.6179.9179.4177.71.5109.7R753 L754R753-R757 PolarHBondContact O-N 2.81Å; L754-R757 WeakPolarHBondContact O-CB 3.4Å; L754-R757 PolarHBondContact O-N 3.36Å
758P96.9Very high95.7Very high54 Ų54102.7 Ų102.735%0.35151%0.512SS..PPolyproline II helixtrans-62.2152173.4-20.433.4000111.5Q756 E762 L763Q756-P758 WeakPolarHBondContact O-CD 3.4Å; P758-E762 HydrophobicContact CB-CB 4.05Å; P758-L763 HydrophobicContact CB-CD2 4.07Å; P758-L763 HydrophobicContact CB-CG 4.23Å; P758-L763 HydrophobicContact CG-CD2 4.29Å
759T96.3Very high95.3Very high76 Ų76102.1 Ų102.147%0.46651%0.505SS..PPolyproline II helixtrans-68164.1172.273.30000111.2E761 E762 L763T759-E761 VanDerWaalsContact C-N 3.34Å; T759-E762 WeakPolarHBondContact O-CB 3.44Å; T759-E762 PolarHBondContact O-N 2.81Å; T759-E762 WeakPolarHBondContact OG1-CB 3.38Å; T759-E762 PolarHBondContact OG1-N 3.5Å; T759-L763 WeakPolarHBondContact O-CG 3.3Å; T759-L763 PolarHBondContact O-N 3.29Å
760A94.5Very high94.8Very high62 Ų62105.8 Ų105.851%0.51252%0.518SS..Hα-helixtrans-60.5-45.5175.300000111.4E762 L763 E764 L769A760-E762 VanDerWaalsContact C-N 3.32Å; A760-E762 PolarHBondContact O-N 3.29Å; A760-L763 WeakPolarHBondContact O-CB 3.43Å; A760-L763 PolarHBondContact O-N 3.23Å; A760-E764 PolarHBondContact O-N 3.16Å; A760-L769 HydrophobicContact CB-CD2 3.89Å
761E92.2Very high93.9Very high121 Ų121104.5 Ų104.557%0.56552%0.515SS*.Hα-helixtrans-58.4-41.1174.4-165.1-160.9153.400111.8T759 L763 E764 Q765T759-E761 VanDerWaalsContact C-N 3.34Å; E761-L763 PolarHBondContact O-N 2.98Å; E761-E764 WeakPolarHBondContact O-CB 3.24Å; E761-E764 PolarHBondContact O-N 3.07Å; E761-E764 VanDerWaalsContact O-N 3.11Å; E761-Q765 HydrophobicContact CG-CG 4.45Å; E761-Q765 WeakPolarHBondContact O-CB 3.37Å; E761-Q765 VanDerWaalsContact O-CG 3.25Å; E761-Q765 WeakPolarHBondContact O-CG 3.32Å; E761-Q765 PolarHBondContact O-N 3.13Å; E761-Q765 PolarHBondContact OE1-NE2 3.17Å
762E94.6Very high92.7Very high67 Ų67109.7 Ų109.731%0.31353%0.53SS..Hα-helixtrans-64.5-23.3175.1-98.8-158.9-96.900113.9P758 T759 A760 R766P758-E762 HydrophobicContact CB-CB 4.05Å; T759-E762 WeakPolarHBondContact O-CB 3.44Å; T759-E762 PolarHBondContact O-N 2.81Å; T759-E762 WeakPolarHBondContact OG1-CB 3.38Å; T759-E762 PolarHBondContact OG1-N 3.5Å; A760-E762 VanDerWaalsContact C-N 3.32Å; A760-E762 PolarHBondContact O-N 3.29Å; E762-R766 VanDerWaalsContact O-CG 3.28Å; E762-R766 WeakPolarHBondContact O-CG 3.15Å; E762-R766 PolarHBondContact O-NH1 3.26Å; E762-R766 IonicContact OE2-CZ 3.23Å; E762-R766 IonicContact OE2-NH1 2.75Å; E762-R766 PolarHBondContact OE2-NH1 2.69Å; E762-R766 IonicContact OE2-NH2 3.07Å; E762-R766 PolarHBondContact OE2-NH2 3.47Å
763L95.3Very high92.1Very high52 Ų52106.3 Ų106.327%0.27252%0.522SS..Hα-helixtrans-85.9-31.1172.6-64.1175.1000111.4P758 T759 A760 E761 R766 N767 I768 L769P758-L763 HydrophobicContact CB-CD2 4.07Å; P758-L763 HydrophobicContact CB-CG 4.23Å; P758-L763 HydrophobicContact CG-CD2 4.29Å; T759-L763 WeakPolarHBondContact O-CG 3.3Å; T759-L763 PolarHBondContact O-N 3.29Å; A760-L763 WeakPolarHBondContact O-CB 3.43Å; A760-L763 PolarHBondContact O-N 3.23Å; E761-L763 PolarHBondContact O-N 2.98Å; L763-R766 CarbonylContact O-C 3.6Å; L763-R766 PolarHBondContact O-N 2.82Å; L763-N767 PolarHBondContact O-N 2.82Å; L763-I768 HydrophobicContact CB-CB 4.31Å; L763-I768 HydrophobicContact CD2-CB 4.31Å; L763-I768 HydrophobicContact CD2-CD1 4.04Å; L763-I768 HydrophobicContact CD2-CG2 4.23Å; L763-I768 PolarHBondContact O-N 3.21Å; L763-L769 HydrophobicContact CB-CB 3.72Å; L763-L769 PolarHBondContact O-N 2.76Å
764E91.8Very high91.7Very high85 Ų85101.7 Ų101.740%0.39751%0.509SS..Hα-helixtrans-69.5-48.8175.1-170.4175.8169.600111.6A760 E761 R766 N767 L769 P771A760-E764 PolarHBondContact O-N 3.16Å; E761-E764 WeakPolarHBondContact O-CB 3.24Å; E761-E764 PolarHBondContact O-N 3.07Å; E761-E764 VanDerWaalsContact O-N 3.11Å; E764-R766 PolarHBondContact O-N 3.46Å; E764-R766 VanDerWaalsContact O-N 3.1Å; E764-N767 WeakPolarHBondContact O-CA 3.26Å; E764-N767 PolarHBondContact O-N 3.5Å; E764-L769 WeakPolarHBondContact CA-O 3.01Å; E764-P771 HydrophobicContact CG-CG 4.23Å; E764-P771 WeakPolarHBondContact OE1-CG 3.45Å
765Q93.1Very high91.4Very high135 Ų13599.5 Ų99.563%0.63151%0.505SS*.THydrogen-bonded Turntrans-56.4-25.5170.9-69.317411.600113.1E761E761-Q765 HydrophobicContact CG-CG 4.45Å; E761-Q765 WeakPolarHBondContact O-CB 3.37Å; E761-Q765 VanDerWaalsContact O-CG 3.25Å; E761-Q765 WeakPolarHBondContact O-CG 3.32Å; E761-Q765 PolarHBondContact O-N 3.13Å; E761-Q765 PolarHBondContact OE1-NE2 3.17Å
766R95.9Very high91Very high130 Ų130100 Ų10049%0.49150%0.5SS..THydrogen-bonded Turntrans-95.52.6175.6-69.1-175.1-172.598.7-5.3113.8E762 L763 E764 I768E762-R766 VanDerWaalsContact O-CG 3.28Å; E762-R766 WeakPolarHBondContact O-CG 3.15Å; E762-R766 PolarHBondContact O-NH1 3.26Å; E762-R766 IonicContact OE2-CZ 3.23Å; E762-R766 IonicContact OE2-NH1 2.75Å; E762-R766 PolarHBondContact OE2-NH1 2.69Å; E762-R766 IonicContact OE2-NH2 3.07Å; E762-R766 PolarHBondContact OE2-NH2 3.47Å; L763-R766 CarbonylContact O-C 3.6Å; L763-R766 PolarHBondContact O-N 2.82Å; E764-R766 PolarHBondContact O-N 3.46Å; E764-R766 VanDerWaalsContact O-N 3.1Å; R766-I768 HydrophobicContact CB-CD1 3.85Å; R766-I768 HydrophobicContact CB-CG1 4.05Å; R766-I768 PolarHBondContact O-N 3.49Å
767N89.8Confident90.6Very high101 Ų10196.4 Ų96.454%0.5448%0.48SS..THydrogen-bonded Turntrans55.138.2-177.9-170.9-117.9000112.4L763 E764L763-N767 PolarHBondContact O-N 2.82Å; E764-N767 WeakPolarHBondContact O-CA 3.26Å; E764-N767 PolarHBondContact O-N 3.5Å
768I93.3Very high90.4Very high117 Ų11790.9 Ų90.960%0.646%0.463SS*.SBendtrans-102.6-44.9174-60.6169.8000109.5L763 R766L763-I768 HydrophobicContact CB-CB 4.31Å; L763-I768 HydrophobicContact CD2-CB 4.31Å; L763-I768 HydrophobicContact CD2-CD1 4.04Å; L763-I768 HydrophobicContact CD2-CG2 4.23Å; L763-I768 PolarHBondContact O-N 3.21Å; R766-I768 HydrophobicContact CB-CD1 3.85Å; R766-I768 HydrophobicContact CB-CG1 4.05Å; R766-I768 PolarHBondContact O-N 3.49Å
769L91Very high90.3Very high69 Ų6990.3 Ų90.336%0.36146%0.463SS..SBendtrans-90.8143162.3-173.463.1000107.5A760 L763 E764A760-L769 HydrophobicContact CB-CD2 3.89Å; L763-L769 HydrophobicContact CB-CB 3.72Å; L763-L769 PolarHBondContact O-N 2.76Å; E764-L769 WeakPolarHBondContact CA-O 3.01Å
770Q85.9Confident90.2Very high105 Ų10592.5 Ų92.549%0.49147%0.468SS..PPolyproline II helixtrans-99.7145.7172.5-62.6-175.43.400109.6K772Q770-K772 PolarHBondContact O-N 3.03Å
771P79.6Confident90.3Very high64 Ų6494 Ų9442%0.41647%0.47SS..PPolyproline II helixtrans-53.7131.6169.3-19.829.9000109E764 N773 R777E764-P771 HydrophobicContact CG-CG 4.23Å; E764-P771 WeakPolarHBondContact OE1-CG 3.45Å; P771-N773 VanDerWaalsContact C-N 3.29Å; P771-N773 PolarHBondContact O-N 3.29Å; P771-R777 PolarHBondContact O-NH1 3.34Å
772K73.9Confident90.5Very high205 Ų20591.7 Ų91.789%0.89146%0.457SS*.SBendtrans-61.4-28.6-153.9-71.1-175179.7178.60116.1Q770Q770-K772 PolarHBondContact O-N 3.03Å
773N85.6Confident90.7Very high69 Ų6991.2 Ų91.237%0.36945%0.454SS..  trans-82.9130.3-176.6-164.4-4.1000111.6P771 A775 D776 R777P771-N773 VanDerWaalsContact C-N 3.29Å; P771-N773 PolarHBondContact O-N 3.29Å; N773-A775 WeakPolarHBondContact OD1-CB 3.2Å; N773-A775 PolarHBondContact OD1-N 3.38Å; N773-D776 HydrophobicContact CB-CB 4.01Å; N773-D776 WeakPolarHBondContact CB-OD2 3.17Å; N773-D776 PolarHBondContact ND2-OD1 2.74Å; N773-D776 PolarHBondContact ND2-OD2 2.84Å; N773-R777 WeakPolarHBondContact O-CG 3.4Å; N773-R777 PolarHBondContact O-NH1 2.93Å
774Q89.1Confident90.8Very high94 Ų9492 Ų9244%0.43946%0.458SS..Hα-helixtrans-80.7-34.6172.3165.860.917.500111.3R777 Q778Q774-R777 PolarHBondContact O-N 3.15Å; Q774-Q778 PolarHBondContact O-N 2.84Å; Q774-Q778 PolarHBondContact O-OE1 3.19Å
775A89.7Confident91.1Very high53 Ų5393.2 Ų93.244%0.43846%0.462SS..Hα-helixtrans-65.2-45.417900000111.6N773 R777 Q778 A779N773-A775 WeakPolarHBondContact OD1-CB 3.2Å; N773-A775 PolarHBondContact OD1-N 3.38Å; A775-R777 PolarHBondContact O-N 2.94Å; A775-Q778 CarbonylContact O-C 3.56Å; A775-Q778 PolarHBondContact O-N 3.4Å; A775-A779 PolarHBondContact O-N 3.1Å
776D89.3Confident91.4Very high106 Ų10694 Ų9457%0.56746%0.459SS*.Hα-helixtrans-58.1-37.4175.8-62.6-20.5000112.1N773 A779 E780N773-D776 HydrophobicContact CB-CB 4.01Å; N773-D776 WeakPolarHBondContact CB-OD2 3.17Å; N773-D776 PolarHBondContact ND2-OD1 2.74Å; N773-D776 PolarHBondContact ND2-OD2 2.84Å; D776-A779 PolarHBondContact O-N 3.38Å; D776-E780 WeakPolarHBondContact O-CB 3.37Å; D776-E780 PolarHBondContact O-N 3.43Å
777R88.3Confident91.5Very high63 Ų6392.5 Ų92.524%0.23845%0.454CS..Hα-helixtrans-68.9-38.7175.6-65.7-172.7-54.2-110.410.7111.9P771 N773 Q774 A775 V781P771-R777 PolarHBondContact O-NH1 3.34Å; N773-R777 WeakPolarHBondContact O-CG 3.4Å; N773-R777 PolarHBondContact O-NH1 2.93Å; Q774-R777 PolarHBondContact O-N 3.15Å; A775-R777 PolarHBondContact O-N 2.94Å; R777-V781 WeakPolarHBondContact O-CB 3.49Å; R777-V781 VanDerWaalsContact O-CG2 3.24Å; R777-V781 WeakPolarHBondContact O-CG2 3.46Å; R777-V781 PolarHBondContact O-N 3.38Å
778Q93.3Very high91.9Very high80 Ų8092.1 Ų92.137%0.37445%0.451SS..Hα-helixtrans-66-44.5174.3-73.9171.7-85.300110.9Q774 A775 E780 V781 R782Q774-Q778 PolarHBondContact O-N 2.84Å; Q774-Q778 PolarHBondContact O-OE1 3.19Å; A775-Q778 CarbonylContact O-C 3.56Å; A775-Q778 PolarHBondContact O-N 3.4Å; Q778-E780 PolarHBondContact O-N 3.32Å; Q778-V781 CarbonylContact O-C 3.57Å; Q778-V781 PolarHBondContact O-N 2.86Å; Q778-R782 WeakPolarHBondContact O-CB 3.41Å; Q778-R782 WeakPolarHBondContact O-CG 3.48Å; Q778-R782 PolarHBondContact O-N 3.04Å
779A94.3Very high92.1Very high42 Ų4290.9 Ų90.935%0.34745%0.449SS..Hα-helixtrans-61.7-41.9174.500000112.3A775 D776 R782 E783A775-A779 PolarHBondContact O-N 3.1Å; D776-A779 PolarHBondContact O-N 3.38Å; A779-R782 PolarHBondContact O-N 3.2Å; A779-E783 WeakPolarHBondContact O-CB 3.28Å; A779-E783 PolarHBondContact O-N 3.07Å
780E94.4Very high92.5Very high123 Ų12393.8 Ų93.858%0.57546%0.455SS*.Hα-helixtrans-63.3-42.6173.7-162.7-165.3175.900111.2D776 Q778 I784D776-E780 WeakPolarHBondContact O-CB 3.37Å; D776-E780 PolarHBondContact O-N 3.43Å; Q778-E780 PolarHBondContact O-N 3.32Å; E780-I784 HydrophobicContact CG-CD1 3.85Å; E780-I784 HydrophobicContact CG-CG1 4.45Å; E780-I784 VanDerWaalsContact O-CB 3.26Å; E780-I784 WeakPolarHBondContact O-CB 3.45Å; E780-I784 WeakPolarHBondContact O-CD1 3.27Å; E780-I784 WeakPolarHBondContact O-CG1 3.34Å; E780-I784 PolarHBondContact O-N 2.94Å
781V96Very high93Very high93 Ų9395.5 Ų95.556%0.56446%0.461SS*.Hα-helixtrans-65.1-41176.5167.30000111.7R777 Q778 I784 K785R777-V781 WeakPolarHBondContact O-CB 3.49Å; R777-V781 VanDerWaalsContact O-CG2 3.24Å; R777-V781 WeakPolarHBondContact O-CG2 3.46Å; R777-V781 PolarHBondContact O-N 3.38Å; Q778-V781 CarbonylContact O-C 3.57Å; Q778-V781 PolarHBondContact O-N 2.86Å; V781-I784 PolarHBondContact O-N 2.95Å; V781-K785 VanDerWaalsContact O-CB 3.31Å; V781-K785 WeakPolarHBondContact O-CB 3.44Å; V781-K785 PolarHBondContact O-N 3.26Å
782R97.1Very high93.9Very high73 Ų7397 Ų9728%0.27547%0.465SS..Hα-helixtrans-64.2-47.6175.2-75.3-168.2-84.9112.8-11.8111.7E603 E604 Q778 A779 I784 K785 R786E603-R782 VanDerWaalsContact CD-CD 3.5Å; E603-R782 WeakPolarHBondContact OE1-CD 3.12Å; E603-R782 IonicContact OE1-NE 2.72Å; E603-R782 PolarHBondContact OE1-NE 3.29Å; E604-R782 WeakPolarHBondContact OE1-CD 3.49Å; E604-R782 IonicContact OE1-CZ 3.16Å; E604-R782 IonicContact OE1-NE 3.18Å; E604-R782 IonicContact OE1-NH1 2.67Å; E604-R782 PolarHBondContact OE1-NH1 3.25Å; Q778-R782 WeakPolarHBondContact O-CB 3.41Å; Q778-R782 WeakPolarHBondContact O-CG 3.48Å; Q778-R782 PolarHBondContact O-N 3.04Å; A779-R782 PolarHBondContact O-N 3.2Å; R782-I784 PolarHBondContact O-N 3.27Å; R782-K785 WeakPolarHBondContact O-CB 3.19Å; R782-K785 PolarHBondContact O-N 3.17Å; R782-R786 VanDerWaalsContact O-CB 3.3Å; R782-R786 WeakPolarHBondContact O-CB 3.46Å; R782-R786 PolarHBondContact O-N 2.99Å
783E97.6Very high95Very high57 Ų5791.7 Ų91.727%0.26645%0.454SS..Hα-helixtrans-64.7-36.7173.4169.152.8-157.700112A779 R786 R787A779-E783 WeakPolarHBondContact O-CB 3.28Å; A779-E783 PolarHBondContact O-N 3.07Å; E783-R786 IonicContact OE2-CZ 3.95Å; E783-R786 VanDerWaalsContact OE2-CZ 3.27Å; E783-R786 IonicContact OE2-NE 2.73Å; E783-R786 PolarHBondContact OE2-NE 2.76Å; E783-R786 IonicContact OE2-NH2 2.59Å; E783-R786 PolarHBondContact OE2-NH2 3.38Å; E783-R787 WeakPolarHBondContact O-CB 3.45Å; E783-R787 PolarHBondContact O-N 2.89Å; E783-R787 WeakPolarHBondContact OE1-CD 3.43Å
784I98.2Very high95.5Very high68 Ų6895.4 Ų95.435%0.34947%0.469SS..Hα-helixtrans-62.9-45.3172.8-74.5166.4000110.9E780 V781 R782 L788E780-I784 HydrophobicContact CG-CD1 3.85Å; E780-I784 HydrophobicContact CG-CG1 4.45Å; E780-I784 VanDerWaalsContact O-CB 3.26Å; E780-I784 WeakPolarHBondContact O-CB 3.45Å; E780-I784 WeakPolarHBondContact O-CD1 3.27Å; E780-I784 WeakPolarHBondContact O-CG1 3.34Å; E780-I784 PolarHBondContact O-N 2.94Å; V781-I784 PolarHBondContact O-N 2.95Å; R782-I784 PolarHBondContact O-N 3.27Å; I784-L788 WeakPolarHBondContact O-CB 3.4Å; I784-L788 PolarHBondContact O-N 2.87Å
785K98.4Very high95.8Very high111 Ų11199.8 Ų99.848%0.48348%0.481SS..Hα-helixtrans-56.8-58174.3178.6-167.7176.6-164.30109.6V781 R782 R787 L788 T789V781-K785 VanDerWaalsContact O-CB 3.31Å; V781-K785 WeakPolarHBondContact O-CB 3.44Å; V781-K785 PolarHBondContact O-N 3.26Å; R782-K785 WeakPolarHBondContact O-CB 3.19Å; R782-K785 PolarHBondContact O-N 3.17Å; K785-R787 PolarHBondContact O-N 3.48Å; K785-L788 PolarHBondContact O-N 3.48Å; K785-T789 WeakPolarHBondContact O-CB 3.11Å; K785-T789 PolarHBondContact O-N 2.76Å; K785-T789 PolarHBondContact O-OG1 2.95Å; K785-T789 VanDerWaalsContact O-OG1 3.07Å
786R98.4Very high96.1Very high150 Ų15099.7 Ų99.757%0.56648%0.476SS*.Hα-helixtrans-53.6-51.2179.2-167.8175.375.8152.8-4.3112.4R782 E783 T789 R790R782-R786 VanDerWaalsContact O-CB 3.3Å; R782-R786 WeakPolarHBondContact O-CB 3.46Å; R782-R786 PolarHBondContact O-N 2.99Å; E783-R786 IonicContact OE2-CZ 3.95Å; E783-R786 VanDerWaalsContact OE2-CZ 3.27Å; E783-R786 IonicContact OE2-NE 2.73Å; E783-R786 PolarHBondContact OE2-NE 2.76Å; E783-R786 IonicContact OE2-NH2 2.59Å; E783-R786 PolarHBondContact OE2-NH2 3.38Å; R786-T789 PolarHBondContact O-N 3.35Å; R786-R790 PolarHBondContact O-N 2.93Å
787R98.3Very high96.3Very high100 Ų10098.6 Ų98.638%0.37747%0.474SS..Hα-helixtrans-68.4-32.7180-174.5173.863.3-167.8-1.3113.4E783 K785 K791E783-R787 WeakPolarHBondContact O-CB 3.45Å; E783-R787 PolarHBondContact O-N 2.89Å; E783-R787 WeakPolarHBondContact OE1-CD 3.43Å; K785-R787 PolarHBondContact O-N 3.48Å; R787-K791 WeakPolarHBondContact O-CB 3.31Å; R787-K791 WeakPolarHBondContact O-CG 3.45Å; R787-K791 PolarHBondContact O-N 3.24Å
788L98.4Very high96.5Very high93 Ų9399.6 Ų99.649%0.48749%0.487SS..Hα-helixtrans-72-48.1174.8178.659.8000110.6I784 K785 R790 K791 L792I784-L788 WeakPolarHBondContact O-CB 3.4Å; I784-L788 PolarHBondContact O-N 2.87Å; K785-L788 PolarHBondContact O-N 3.48Å; L788-R790 VanDerWaalsContact C-N 3.34Å; L788-R790 PolarHBondContact O-N 3.02Å; L788-K791 CarbonylContact O-C 3.5Å; L788-K791 WeakPolarHBondContact O-CA 3.46Å; L788-K791 PolarHBondContact O-N 2.7Å; L788-L792 HydrophobicContact CD1-CD1 3.96Å; L788-L792 HydrophobicContact CD1-CG 4Å; L788-L792 HydrophobicContact CG-CD1 3.88Å; L788-L792 HydrophobicContact CG-CG 4.33Å; L788-L792 WeakPolarHBondContact O-CG 3.47Å; L788-L792 PolarHBondContact O-N 3.19Å
789T98Very high96.4Very high91 Ų9198.9 Ų98.956%0.55849%0.494SS*.Hα-helixtrans-55.7-47.7176.6-60.90000111K785 R786 K791 L792 S793K785-T789 WeakPolarHBondContact O-CB 3.11Å; K785-T789 PolarHBondContact O-N 2.76Å; K785-T789 PolarHBondContact O-OG1 2.95Å; K785-T789 VanDerWaalsContact O-OG1 3.07Å; R786-T789 PolarHBondContact O-N 3.35Å; T789-K791 VanDerWaalsContact C-N 3.31Å; T789-K791 PolarHBondContact O-N 2.93Å; T789-L792 PolarHBondContact O-N 3.09Å; T789-L792 VanDerWaalsContact O-N 3.1Å; T789-S793 PolarHBondContact O-N 3.07Å; T789-S793 PolarHBondContact O-OG 2.9Å
790R98.1Very high96.3Very high130 Ų13099.8 Ų99.849%0.49149%0.491SS..Hα-helixtrans-59.4-36.5174.8-169.6172.373.6-142.72.9113.5R786 L788 S793 Q794R786-R790 PolarHBondContact O-N 2.93Å; L788-R790 VanDerWaalsContact C-N 3.34Å; L788-R790 PolarHBondContact O-N 3.02Å; R790-S793 PolarHBondContact O-OG 2.82Å; R790-Q794 WeakPolarHBondContact O-CB 3.41Å; R790-Q794 WeakPolarHBondContact O-CG 3.45Å; R790-Q794 PolarHBondContact O-N 3.11Å
791K98.1Very high96.3Very high141 Ų14196 Ų9661%0.61348%0.475SS*.Hα-helixtrans-75.4-25.8176-78.7179.6176.9-176.90113.6R787 L788 T789R787-K791 WeakPolarHBondContact O-CB 3.31Å; R787-K791 WeakPolarHBondContact O-CG 3.45Å; R787-K791 PolarHBondContact O-N 3.24Å; L788-K791 CarbonylContact O-C 3.5Å; L788-K791 WeakPolarHBondContact O-CA 3.46Å; L788-K791 PolarHBondContact O-N 2.7Å; T789-K791 VanDerWaalsContact C-N 3.31Å; T789-K791 PolarHBondContact O-N 2.93Å
792L97.1Very high96Very high96 Ų9694.9 Ų94.950%0.50346%0.463SS..Hα-helixtrans-84.5-33178.3-70.2176.2000112.3L788 T789 R795L788-L792 HydrophobicContact CD1-CD1 3.96Å; L788-L792 HydrophobicContact CD1-CG 4Å; L788-L792 HydrophobicContact CG-CD1 3.88Å; L788-L792 HydrophobicContact CG-CG 4.33Å; L788-L792 WeakPolarHBondContact O-CG 3.47Å; L788-L792 PolarHBondContact O-N 3.19Å; T789-L792 PolarHBondContact O-N 3.09Å; T789-L792 VanDerWaalsContact O-N 3.1Å; L792-R795 VanDerWaalsContact O-CB 3.23Å; L792-R795 WeakPolarHBondContact O-CB 3.49Å
793S96.7Very high95.8Very high93 Ų9395.3 Ų95.365%0.6548%0.482SS*.Hα-helixtrans-69-39.4172.162.10000112T789 R790 R795T789-S793 PolarHBondContact O-N 3.07Å; T789-S793 PolarHBondContact O-OG 2.9Å; R790-S793 PolarHBondContact O-OG 2.82Å; S793-R795 PolarHBondContact O-N 3.26Å; S793-R795 VanDerWaalsContact O-N 3.13Å
794Q96.3Very high95.7Very high146 Ų14699.7 Ų99.768%0.68250%0.496SS*.THydrogen-bonded Turntrans-82.528.6176.3-62.2179.5-7.700113.5R790R790-Q794 WeakPolarHBondContact O-CB 3.41Å; R790-Q794 WeakPolarHBondContact O-CG 3.45Å; R790-Q794 PolarHBondContact O-N 3.11Å
795R96.5Very high95.3Very high186 Ų186104.3 Ų104.370%0.70251%0.514SS*.PPolyproline II helixtrans-80.5120.9-176.5-177.5175.9179.5174.7-0.6111L792 S793L792-R795 VanDerWaalsContact O-CB 3.23Å; L792-R795 WeakPolarHBondContact O-CB 3.49Å; S793-R795 PolarHBondContact O-N 3.26Å; S793-R795 VanDerWaalsContact O-N 3.13Å
796P95.5Very high94.9Very high52 Ų52104.1 Ų104.134%0.33852%0.517SS..PPolyproline II helixtrans-66.4147.7-177.127.5-35.9000112.5E800 L801P796-E800 WeakPolarHBondContact CA-OE2 3.46Å; P796-E800 VanDerWaalsContact CB-CD 3.49Å; P796-E800 HydrophobicContact CB-CG 4.31Å; P796-E800 WeakPolarHBondContact CB-OE2 3.06Å; P796-L801 HydrophobicContact CB-CD2 4.19Å; P796-L801 HydrophobicContact CB-CG 4.31Å; P796-L801 HydrophobicContact CG-CD1 4.5Å; P796-L801 HydrophobicContact CG-CD2 3.91Å; P796-L801 HydrophobicContact CG-CG 4.28Å
797T94.4Very high94.4Very high83 Ų8399.1 Ų99.151%0.50950%0.501SS..PPolyproline II helixtrans-76160.4-177.267.70000112.4A799 E800 L801T797-A799 VanDerWaalsContact C-N 3.29Å; T797-A799 PolarHBondContact O-N 3.46Å; T797-E800 PolarHBondContact N-OE2 2.96Å; T797-E800 WeakPolarHBondContact O-CB 3.48Å; T797-E800 PolarHBondContact O-N 3.48Å; T797-E800 VanDerWaalsContact OG1-CB 3.22Å; T797-E800 WeakPolarHBondContact OG1-CB 3.4Å; T797-E800 PolarHBondContact OG1-N 2.82Å; T797-E800 VanDerWaalsContact OG1-N 3.15Å; T797-L801 WeakPolarHBondContact O-CG 3.39Å; T797-L801 PolarHBondContact O-N 2.74Å
798V91.3Very high93.6Very high84 Ų84105 Ų10551%0.50952%0.524SS..Hα-helixtrans-59.1-41.6175.9179.40000111.2L801 Q802 L807V798-L801 PolarHBondContact O-N 2.72Å; V798-Q802 WeakPolarHBondContact O-CG 3.25Å; V798-Q802 PolarHBondContact O-N 2.78Å; V798-L807 HydrophobicContact CG1-CD2 4.09Å
799A91Very high92.6Very high64 Ų64107.3 Ų107.353%0.52953%0.53SS..Hα-helixtrans-63.8-41.1176.900000112.3T797 Q802 A803T797-A799 VanDerWaalsContact C-N 3.29Å; T797-A799 PolarHBondContact O-N 3.46Å; A799-Q802 PolarHBondContact O-N 3.18Å; A799-A803 WeakPolarHBondContact O-CB 3.37Å; A799-A803 PolarHBondContact O-N 3.07Å
800E93.4Very high91.3Very high62 Ų62110 Ų11029%0.2954%0.536SS..Hα-helixtrans-64.3-40.3175.2-178-173175.100112.1P796 T797 A803 R804P796-E800 WeakPolarHBondContact CA-OE2 3.46Å; P796-E800 VanDerWaalsContact CB-CD 3.49Å; P796-E800 HydrophobicContact CB-CG 4.31Å; P796-E800 WeakPolarHBondContact CB-OE2 3.06Å; T797-E800 PolarHBondContact N-OE2 2.96Å; T797-E800 WeakPolarHBondContact O-CB 3.48Å; T797-E800 PolarHBondContact O-N 3.48Å; T797-E800 VanDerWaalsContact OG1-CB 3.22Å; T797-E800 WeakPolarHBondContact OG1-CB 3.4Å; T797-E800 PolarHBondContact OG1-N 2.82Å; T797-E800 VanDerWaalsContact OG1-N 3.15Å; E800-A803 PolarHBondContact O-N 2.82Å; E800-R804 WeakPolarHBondContact O-CB 3.21Å; E800-R804 WeakPolarHBondContact O-CG 3.46Å; E800-R804 PolarHBondContact O-N 3.19Å; E800-R804 IonicContact OE1-CZ 3.43Å; E800-R804 IonicContact OE1-NH1 2.59Å; E800-R804 PolarHBondContact OE1-NH1 3.33Å; E800-R804 IonicContact OE1-NH2 3.43Å; E800-R804 PolarHBondContact OE1-NH2 3.02Å
801L93.4Very high90.1Very high43 Ų43110.7 Ų110.723%0.22554%0.544CS..Hα-helixtrans-68.9-32.4175.2-67175.3000112.8P796 T797 V798 K805 I806 L807P796-L801 HydrophobicContact CB-CD2 4.19Å; P796-L801 HydrophobicContact CB-CG 4.31Å; P796-L801 HydrophobicContact CG-CD1 4.5Å; P796-L801 HydrophobicContact CG-CD2 3.91Å; P796-L801 HydrophobicContact CG-CG 4.28Å; T797-L801 WeakPolarHBondContact O-CG 3.39Å; T797-L801 PolarHBondContact O-N 2.74Å; V798-L801 PolarHBondContact O-N 2.72Å; L801-K805 PolarHBondContact O-N 2.92Å; L801-I806 HydrophobicContact CD2-CB 4.3Å; L801-I806 HydrophobicContact CD2-CD1 3.79Å; L801-I806 HydrophobicContact CD2-CG2 4.26Å; L801-I806 WeakPolarHBondContact O-CB 3.31Å; L801-I806 PolarHBondContact O-N 3.02Å; L801-L807 HydrophobicContact CB-CB 4.45Å; L801-L807 PolarHBondContact O-N 3.01Å; L801-L807 VanDerWaalsContact O-N 3.09Å
802Q90Very high88.4Confident70 Ų70112.9 Ų112.933%0.32755%0.55SS.*Hα-helixtrans-71.9-44.4171.6-74.7171.3-1100111.6V798 A799 R804 K805 L807V798-Q802 WeakPolarHBondContact O-CG 3.25Å; V798-Q802 PolarHBondContact O-N 2.78Å; A799-Q802 PolarHBondContact O-N 3.18Å; Q802-R804 VanDerWaalsContact C-N 3.33Å; Q802-R804 PolarHBondContact O-N 2.86Å; Q802-K805 WeakPolarHBondContact O-CA 3.38Å; Q802-K805 PolarHBondContact O-N 2.85Å; Q802-L807 HydrophobicContact CG-CB 3.95Å; Q802-L807 HydrophobicContact CG-CD2 4.03Å
803A92.8Very high87.2Confident81 Ų81114.1 Ų114.167%0.66956%0.561SS**Hα-helixtrans-61.1-40.6176.700000112A799 E800 K805A799-A803 WeakPolarHBondContact O-CB 3.37Å; A799-A803 PolarHBondContact O-N 3.07Å; E800-A803 PolarHBondContact O-N 2.82Å; A803-K805 PolarHBondContact O-N 3.48Å
804R94.6Very high86Confident150 Ų150118.2 Ų118.257%0.56657%0.57SS**THydrogen-bonded Turntrans-74.80.5170.7-67.8-173.6-175.3128.913.3114.1E800 Q802 I806E800-R804 WeakPolarHBondContact O-CB 3.21Å; E800-R804 WeakPolarHBondContact O-CG 3.46Å; E800-R804 PolarHBondContact O-N 3.19Å; E800-R804 IonicContact OE1-CZ 3.43Å; E800-R804 IonicContact OE1-NH1 2.59Å; E800-R804 PolarHBondContact OE1-NH1 3.33Å; E800-R804 IonicContact OE1-NH2 3.43Å; E800-R804 PolarHBondContact OE1-NH2 3.02Å; Q802-R804 VanDerWaalsContact C-N 3.33Å; Q802-R804 PolarHBondContact O-N 2.86Å; R804-I806 HydrophobicContact CB-CD1 3.78Å; R804-I806 HydrophobicContact CB-CG1 3.94Å; R804-I806 PolarHBondContact O-N 3.1Å; R804-I806 VanDerWaalsContact O-N 3.12Å
805K90.8Very high84.8Confident164 Ų164117.6 Ų117.671%0.71358%0.576SS**THydrogen-bonded Turntrans56.224.9-179.8-57.2174.8-176.71740114.1L801 Q802 A803L801-K805 PolarHBondContact O-N 2.92Å; Q802-K805 WeakPolarHBondContact O-CA 3.38Å; Q802-K805 PolarHBondContact O-N 2.85Å; A803-K805 PolarHBondContact O-N 3.48Å
806I90.9Very high83.5Confident107 Ų107114.2 Ų114.255%0.54958%0.577SS.*  trans-74.6-45.9173.4-62.1167.8000108.4L801 R804L801-I806 HydrophobicContact CD2-CB 4.3Å; L801-I806 HydrophobicContact CD2-CD1 3.79Å; L801-I806 HydrophobicContact CD2-CG2 4.26Å; L801-I806 WeakPolarHBondContact O-CB 3.31Å; L801-I806 PolarHBondContact O-N 3.02Å; R804-I806 HydrophobicContact CB-CD1 3.78Å; R804-I806 HydrophobicContact CB-CG1 3.94Å; R804-I806 PolarHBondContact O-N 3.1Å; R804-I806 VanDerWaalsContact O-N 3.12Å
807L87.7Confident82.4Confident46 Ų46121.1 Ų121.124%0.24160%0.604CS.*  trans-83.5118.2166.9-141.775.9000109V798 L801 Q802 F809V798-L807 HydrophobicContact CG1-CD2 4.09Å; L801-L807 HydrophobicContact CB-CB 4.45Å; L801-L807 PolarHBondContact O-N 3.01Å; L801-L807 VanDerWaalsContact O-N 3.09Å; Q802-L807 HydrophobicContact CG-CB 3.95Å; Q802-L807 HydrophobicContact CG-CD2 4.03Å; L807-F809 HydrophobicContact CD1-CD1 4.43Å; L807-F809 HydrophobicContact CD1-CE1 3.63Å; L807-F809 HydrophobicContact CD1-CE2 4.29Å; L807-F809 HydrophobicContact CD1-CZ 3.56Å; L807-F809 HydrophobicContact CD2-CD2 4.45Å; L807-F809 HydrophobicContact CD2-CE2 4.02Å; L807-F809 HydrophobicContact CD2-CZ 4.13Å; L807-F809 HydrophobicContact CG-CD1 4.25Å; L807-F809 HydrophobicContact CG-CD2 4.49Å; L807-F809 HydrophobicContact CG-CE1 3.9Å; L807-F809 HydrophobicContact CG-CE2 4.15Å; L807-F809 HydrophobicContact CG-CZ 3.86Å
808R81.1Confident81.4Confident224 Ų224120.8 Ų120.885%0.84561%0.61SS**  trans-108.5-5179.4-55.2-173.2-157.5132.65114.2
809F76.4Confident80.7Confident141 Ų141124.9 Ų124.962%0.61862%0.623SS**SBendtrans-97.7136.3168.759.6-91.8000108.5L807L807-F809 HydrophobicContact CD1-CD1 4.43Å; L807-F809 HydrophobicContact CD1-CE1 3.63Å; L807-F809 HydrophobicContact CD1-CE2 4.29Å; L807-F809 HydrophobicContact CD1-CZ 3.56Å; L807-F809 HydrophobicContact CD2-CD2 4.45Å; L807-F809 HydrophobicContact CD2-CE2 4.02Å; L807-F809 HydrophobicContact CD2-CZ 4.13Å; L807-F809 HydrophobicContact CG-CD1 4.25Å; L807-F809 HydrophobicContact CG-CD2 4.49Å; L807-F809 HydrophobicContact CG-CE1 3.9Å; L807-F809 HydrophobicContact CG-CE2 4.15Å; L807-F809 HydrophobicContact CG-CZ 3.86Å
810H71.8Confident80Confident147 Ų147128.8 Ų128.868%0.68164%0.635SS**  trans-76.9145.4163.7-61.695.5000107.9Y812H810-Y812 WeakPolarHBondContact CB-O 3.35Å; H810-Y812 PolarHBondContact O-N 3.4Å
811E72Confident79.1Confident144 Ų144133.1 Ų133.167%0.67365%0.65SS**SBendtrans-61.9-33.5178.5-177.5170.5-157.600111.5
812Y63.3Low78.3Confident187 Ų187135.7 Ų135.773%0.73366%0.664SS**SBendtrans-98.8123.8171.9-56.1-82.4000109.4H810H810-Y812 WeakPolarHBondContact CB-O 3.35Å; H810-Y812 PolarHBondContact O-N 3.4Å
813V70.7Confident77.4Confident122 Ų122140.4 Ų140.474%0.73968%0.679SS**  trans-91.6122.3165.9178.80000107.2V815V813-V815 PolarHBondContact O-N 3.27Å
814E73.3Confident76.5Confident179 Ų179146.5 Ų146.584%0.83669%0.685SS**  trans-65.6104.1170.6-68.3-178.617400109.3T816E814-T816 PolarHBondContact O-N 3.04Å
815V70.1Confident75.2Confident133 Ų133142.4 Ų142.481%0.80668%0.682SS**  trans-83.988.7175.3-176.30000108.4V813V813-V815 PolarHBondContact O-N 3.27Å
816T69.9Low74.2Confident116 Ų116140 Ų14071%0.71268%0.678SS**  trans-69.5139.6165.844.30000110E814 A818E814-T816 PolarHBondContact O-N 3.04Å; T816-A818 PolarHBondContact O-N 2.77Å
817E70.7Confident73.6Confident197 Ų197139.9 Ų139.992%0.92167%0.673SS**  trans-68104.2174.8-67.7-168.1153.100109.7
818A75.3Confident72.7Confident75 Ų75142.1 Ų142.162%0.6269%0.69SS**  trans-73135.1174.900000110.2T816 D820T816-A818 PolarHBondContact O-N 2.77Å; A818-D820 PolarHBondContact O-N 2.89Å
819Q75.7Confident72.1Confident170 Ų170139.4 Ų139.479%0.79468%0.68SS**  trans-52.5122.9173.3-135.485.331.700110.3Y821Q819-Y821 VanDerWaalsContact O-CD1 3.25Å; Q819-Y821 WeakPolarHBondContact O-CD1 3.49Å; Q819-Y821 PolarHBondContact O-N 3.24Å
820D76.4Confident72.1Confident147 Ų147137.1 Ų137.179%0.78668%0.678SS**  trans-78.372.9179.5-113.8-14.9000110.7A818A818-D820 PolarHBondContact O-N 2.89Å
821Y73.5Confident72.5Confident153 Ų153136.6 Ų136.660%0.667%0.674SS**  trans-72.2141.8171.964.9-91000110.6Q819 R823Q819-Y821 VanDerWaalsContact O-CD1 3.25Å; Q819-Y821 WeakPolarHBondContact O-CD1 3.49Å; Q819-Y821 PolarHBondContact O-N 3.24Å; Y821-R823 HydrophobicContact CD2-CG 4.14Å; Y821-R823 HydrophobicContact CE2-CG 3.71Å; Y821-R823 PolarHBondContact O-N 3.46Å
822D77.1Confident73.2Confident96 Ų96132.3 Ų132.351%0.51366%0.655SS.*  trans-67.9100.3-177.8-176.318.3000111.9R824 A825D822-R824 PolarHBondContact O-N 2.86Å; D822-R824 WeakPolarHBondContact OD1-CA 3.44Å; D822-R824 WeakPolarHBondContact OD1-CB 3.18Å; D822-R824 VanDerWaalsContact OD1-CG 3.23Å; D822-R824 WeakPolarHBondContact OD1-CG 3.26Å; D822-R824 PolarHBondContact OD1-N 2.86Å; D822-A825 WeakPolarHBondContact O-CB 3.46Å; D822-A825 PolarHBondContact O-N 2.8Å
823R72.2Confident74.5Confident170 Ų170126.3 Ų126.364%0.64264%0.638SS**THydrogen-bonded Turntrans-64.5-3.3173.8-59.4-176.6-177.5110.45.3113.2Y821Y821-R823 HydrophobicContact CD2-CG 4.14Å; Y821-R823 HydrophobicContact CE2-CG 3.71Å; Y821-R823 PolarHBondContact O-N 3.46Å
824R72.2Confident75.5Confident209 Ų209126 Ų12679%0.78964%0.638SS**THydrogen-bonded Turntrans-96.11.2173.1-46.2172.270.7-1381.1112.9D822D822-R824 PolarHBondContact O-N 2.86Å; D822-R824 WeakPolarHBondContact OD1-CA 3.44Å; D822-R824 WeakPolarHBondContact OD1-CB 3.18Å; D822-R824 VanDerWaalsContact OD1-CG 3.23Å; D822-R824 WeakPolarHBondContact OD1-CG 3.26Å; D822-R824 PolarHBondContact OD1-N 2.86Å
825A69Low76.4Confident63 Ų63120.6 Ų120.652%0.52162%0.624SS.*  trans-44.2153.9177.600000113.9D822 K827D822-A825 WeakPolarHBondContact O-CB 3.46Å; D822-A825 PolarHBondContact O-N 2.8Å; A825-K827 VanDerWaalsContact C-N 3.28Å; A825-K827 PolarHBondContact O-N 3.17Å
826D68.4Low77.4Confident114 Ų114117.3 Ų117.361%0.6160%0.602SS**  trans-77.171.8-158.2-1563.5000113.8P828 K831D826-P828 WeakPolarHBondContact O-CD 3.48Å; D826-K831 VanDerWaalsContact CG-CE 3.44Å; D826-K831 WeakPolarHBondContact OD2-CE 3.04Å; D826-K831 IonicContact OD2-NZ 2.64Å; D826-K831 PolarHBondContact OD2-NZ 3.41Å
827K78Confident78.5Confident105 Ų105116.3 Ų116.346%0.45759%0.588SS.*  trans-16.493.3175.5-63.2164.4-165.91540113.5A825 W829 T830A825-K827 VanDerWaalsContact C-N 3.28Å; A825-K827 PolarHBondContact O-N 3.17Å; K827-W829 HydrophobicContact CB-CD2 4.12Å; K827-W829 HydrophobicContact CB-CH2 4.18Å; K827-W829 HydrophobicContact CB-CZ2 3.74Å; K827-W829 HydrophobicContact CD-CZ2 4.09Å; K827-W829 HydrophobicContact CG-CH2 3.99Å; K827-W829 HydrophobicContact CG-CZ2 3.57Å; K827-W829 PolarHBondContact O-N 3.04Å; K827-W829 VanDerWaalsContact O-N 3.12Å; K827-T830 WeakPolarHBondContact CB-OG1 3.42Å; K827-T830 WeakPolarHBondContact O-CA 3.31Å; K827-T830 WeakPolarHBondContact O-CB 3.3Å; K827-T830 PolarHBondContact O-N 3.34Å; K827-T830 PolarHBondContact O-OG1 2.81Å
828P69.1Low79.5Confident92 Ų92108.4 Ų108.460%0.59756%0.556SS**Hα-helixtrans-61.9-31.2-16921.1-32.7000113.1D826 T830 K831 L832D826-P828 WeakPolarHBondContact O-CD 3.48Å; P828-T830 PolarHBondContact O-N 3.49Å; P828-T830 VanDerWaalsContact O-N 3.09Å; P828-K831 PolarHBondContact O-N 3.37Å; P828-L832 PolarHBondContact O-N 3.02Å
829W69.3Low80.4Confident168 Ų168107.5 Ų107.564%0.63655%0.549SS*.Hα-helixtrans-59.8-19.5173.361.384.3000114.6K827 L832K827-W829 HydrophobicContact CB-CD2 4.12Å; K827-W829 HydrophobicContact CB-CH2 4.18Å; K827-W829 HydrophobicContact CB-CZ2 3.74Å; K827-W829 HydrophobicContact CD-CZ2 4.09Å; K827-W829 HydrophobicContact CG-CH2 3.99Å; K827-W829 HydrophobicContact CG-CZ2 3.57Å; K827-W829 PolarHBondContact O-N 3.04Å; K827-W829 VanDerWaalsContact O-N 3.12Å; W829-L832 HydrophobicContact CB-CD1 4.14Å
830T75.8Confident81.2Confident92 Ų92102.5 Ų102.556%0.56453%0.527SS*.Hα-helixtrans-77.4-28174.6-40.10000111.6K827 P828K827-T830 WeakPolarHBondContact CB-OG1 3.42Å; K827-T830 WeakPolarHBondContact O-CA 3.31Å; K827-T830 WeakPolarHBondContact O-CB 3.3Å; K827-T830 PolarHBondContact O-N 3.34Å; K827-T830 PolarHBondContact O-OG1 2.81Å; P828-T830 PolarHBondContact O-N 3.49Å; P828-T830 VanDerWaalsContact O-N 3.09Å
831K81.4Confident82Confident137 Ų137100.1 Ų100.160%0.59651%0.507SS*.Hα-helixtrans-86.7-14.8178.8-62.6-176.1-180178.90113.9D826 P828 T833D826-K831 VanDerWaalsContact CG-CE 3.44Å; D826-K831 WeakPolarHBondContact OD2-CE 3.04Å; D826-K831 IonicContact OD2-NZ 2.64Å; D826-K831 PolarHBondContact OD2-NZ 3.41Å; P828-K831 PolarHBondContact O-N 3.37Å; K831-T833 PolarHBondContact O-N 3.17Å
832L86.2Confident83.1Confident53 Ų5398.8 Ų98.828%0.27750%0.504SS..  trans-50.8123175.3-70.7171.5000111.3P828 W829 D836 K837 I840P828-L832 PolarHBondContact O-N 3.02Å; W829-L832 HydrophobicContact CB-CD1 4.14Å; L832-D836 WeakPolarHBondContact CA-OD2 3.33Å; L832-D836 HydrophobicContact CB-CB 4.31Å; L832-D836 HydrophobicContact CD2-CB 3.67Å; L832-K837 HydrophobicContact CB-CD 4.3Å; L832-K837 HydrophobicContact CB-CG 4.05Å; L832-K837 HydrophobicContact CD1-CG 4.46Å; L832-K837 PolarHBondContact O-NZ 2.89Å; L832-I840 HydrophobicContact CD1-CD1 3.99Å; L832-I840 HydrophobicContact CD2-CD1 3.92Å
833T90.1Very high84Confident62 Ų62100.4 Ų100.438%0.3851%0.509SS..  trans-67.5167174.374.10000111.1K831 A835 D836 K837K831-T833 PolarHBondContact O-N 3.17Å; T833-A835 PolarHBondContact O-N 3.05Å; T833-A835 PolarHBondContact OG1-N 3.17Å; T833-D836 WeakPolarHBondContact CB-OD2 3.43Å; T833-D836 WeakPolarHBondContact CG2-OD2 3.24Å; T833-D836 PolarHBondContact N-OD2 3.29Å; T833-D836 PolarHBondContact O-N 3.26Å; T833-D836 PolarHBondContact OG1-N 3.2Å; T833-D836 PolarHBondContact OG1-OD1 3.43Å; T833-D836 PolarHBondContact OG1-OD2 3.49Å; T833-K837 WeakPolarHBondContact O-CG 3.31Å; T833-K837 PolarHBondContact O-N 3.39Å; T833-K837 VanDerWaalsContact O-N 3.08Å
834P92.2Very high85.1Confident114 Ų11496 Ų9674%0.7450%0.497SS*.Hα-helixtrans-58.6-31.1169.2-24.435.7000113A838P834-A838 WeakPolarHBondContact O-CB 3.36Å; P834-A838 PolarHBondContact O-N 3.3Å
835A91Very high86.1Confident66 Ų6687.2 Ų87.255%0.54547%0.466SS..Hα-helixtrans-69.3-47.9176.800000111.3T833 K837 A838 A839T833-A835 PolarHBondContact O-N 3.05Å; T833-A835 PolarHBondContact OG1-N 3.17Å; A835-K837 VanDerWaalsContact C-N 3.27Å; A835-K837 PolarHBondContact O-N 2.77Å; A835-A838 CarbonylContact O-C 3.53Å; A835-A838 WeakPolarHBondContact O-CA 3.35Å; A835-A838 WeakPolarHBondContact O-CB 3.48Å; A835-A838 PolarHBondContact O-N 3.39Å; A835-A839 PolarHBondContact O-N 2.98Å
836D92.7Very high87.3Confident64 Ų6487.2 Ų87.234%0.34246%0.457SS..Hα-helixtrans-61.3-40.1177.8-41.9-28.9000110.6L832 T833 A838 A839 I840L832-D836 WeakPolarHBondContact CA-OD2 3.33Å; L832-D836 HydrophobicContact CB-CB 4.31Å; L832-D836 HydrophobicContact CD2-CB 3.67Å; T833-D836 WeakPolarHBondContact CB-OD2 3.43Å; T833-D836 WeakPolarHBondContact CG2-OD2 3.24Å; T833-D836 PolarHBondContact N-OD2 3.29Å; T833-D836 PolarHBondContact O-N 3.26Å; T833-D836 PolarHBondContact OG1-N 3.2Å; T833-D836 PolarHBondContact OG1-OD1 3.43Å; T833-D836 PolarHBondContact OG1-OD2 3.49Å; D836-A838 VanDerWaalsContact C-N 3.33Å; D836-A838 PolarHBondContact O-N 3.1Å; D836-A839 PolarHBondContact O-N 3.27Å; D836-I840 WeakPolarHBondContact O-CB 3.29Å; D836-I840 WeakPolarHBondContact O-CD1 3.22Å; D836-I840 VanDerWaalsContact O-CG1 3.24Å; D836-I840 WeakPolarHBondContact O-CG1 3.35Å; D836-I840 PolarHBondContact O-N 2.84Å
837K92.5Very high88.6Confident95 Ų9587 Ų8741%0.41345%0.449SS..Hα-helixtrans-63.8-35.8174.6-77162.4175.5140.90112.3L832 T833 A835 R841L832-K837 HydrophobicContact CB-CD 4.3Å; L832-K837 HydrophobicContact CB-CG 4.05Å; L832-K837 HydrophobicContact CD1-CG 4.46Å; L832-K837 PolarHBondContact O-NZ 2.89Å; T833-K837 WeakPolarHBondContact O-CG 3.31Å; T833-K837 PolarHBondContact O-N 3.39Å; T833-K837 VanDerWaalsContact O-N 3.08Å; A835-K837 VanDerWaalsContact C-N 3.27Å; A835-K837 PolarHBondContact O-N 2.77Å; K837-R841 WeakPolarHBondContact O-CB 3.28Å; K837-R841 VanDerWaalsContact O-CG 3.23Å; K837-R841 WeakPolarHBondContact O-CG 3.16Å; K837-R841 PolarHBondContact O-N 3.23Å; K837-R841 VanDerWaalsContact O-N 3.16Å
838A91.9Very high89.3Confident31 Ų3184 Ų8426%0.25644%0.436SS..Hα-helixtrans-71.4-41.9173.300000111.8P834 A835 D836 R841 K842P834-A838 WeakPolarHBondContact O-CB 3.36Å; P834-A838 PolarHBondContact O-N 3.3Å; A835-A838 CarbonylContact O-C 3.53Å; A835-A838 WeakPolarHBondContact O-CA 3.35Å; A835-A838 WeakPolarHBondContact O-CB 3.48Å; A835-A838 PolarHBondContact O-N 3.39Å; D836-A838 VanDerWaalsContact C-N 3.33Å; D836-A838 PolarHBondContact O-N 3.1Å; A838-R841 PolarHBondContact O-N 3.3Å; A838-K842 PolarHBondContact O-N 2.87Å
839A93.4Very high90.3Very high56 Ų5681.7 Ų81.746%0.46342%0.422SS..Hα-helixtrans-59.9-50176.400000111.5A835 D836 R841 K842 E843A835-A839 PolarHBondContact O-N 2.98Å; D836-A839 PolarHBondContact O-N 3.27Å; A839-R841 VanDerWaalsContact C-N 3.31Å; A839-R841 PolarHBondContact O-N 2.78Å; A839-K842 CarbonylContact O-C 3.38Å; A839-K842 WeakPolarHBondContact O-CA 3.45Å; A839-K842 WeakPolarHBondContact O-CB 3.48Å; A839-K842 PolarHBondContact O-N 2.78Å; A839-E843 WeakPolarHBondContact O-CB 3.4Å; A839-E843 PolarHBondContact O-N 3.45Å
840I92.4Very high91.3Very high66 Ų6679.1 Ų79.134%0.33843%0.425SS..Hα-helixtrans-61.1-38.4176.1-66.7162.8000111.2L832 D836 K842 L844L832-I840 HydrophobicContact CD1-CD1 3.99Å; L832-I840 HydrophobicContact CD2-CD1 3.92Å; D836-I840 WeakPolarHBondContact O-CB 3.29Å; D836-I840 WeakPolarHBondContact O-CD1 3.22Å; D836-I840 VanDerWaalsContact O-CG1 3.24Å; D836-I840 WeakPolarHBondContact O-CG1 3.35Å; D836-I840 PolarHBondContact O-N 2.84Å; I840-K842 VanDerWaalsContact C-N 3.34Å; I840-L844 HydrophobicContact CG2-CD1 3.84Å; I840-L844 HydrophobicContact CG2-CG 4.32Å; I840-L844 VanDerWaalsContact O-CB 3.27Å; I840-L844 WeakPolarHBondContact O-CB 3.46Å; I840-L844 WeakPolarHBondContact O-CG 3.4Å; I840-L844 PolarHBondContact O-N 2.84Å
841R94.6Very high92.1Very high96 Ų9681.3 Ų81.336%0.36243%0.429SS..Hα-helixtrans-65.3-36.1173.7-76.5-176-45.7-161.210.2112.5K837 A838 A839 N845 H865 R866 P867K837-R841 WeakPolarHBondContact O-CB 3.28Å; K837-R841 VanDerWaalsContact O-CG 3.23Å; K837-R841 WeakPolarHBondContact O-CG 3.16Å; K837-R841 PolarHBondContact O-N 3.23Å; K837-R841 VanDerWaalsContact O-N 3.16Å; A838-R841 PolarHBondContact O-N 3.3Å; A839-R841 VanDerWaalsContact C-N 3.31Å; A839-R841 PolarHBondContact O-N 2.78Å; R841-N845 WeakPolarHBondContact O-CB 3.31Å; R841-N845 PolarHBondContact O-N 3.03Å; R841-N845 PolarHBondContact O-ND2 2.79Å; R841-N845 PolarHBondContact O-OD1 3.25Å; R841-H865 HydrophobicContact CB-CB 3.98Å; R841-H865 HydrophobicContact CG-CB 3.93Å; R841-R866 WeakPolarHBondContact CD-O 3.34Å; R841-R866 PolarHBondContact NE-O 2.98Å; R841-P867 PolarHBondContact NH2-O 3.24Å; R841-P867 PolarHBondContact NH2-OXT 2.85Å
842K95.4Very high92.6Very high126 Ų12678 Ų7855%0.54842%0.416SS..Hα-helixtrans-68.7-52.2175.9-172.6-166.6175.2-63.90110.3A838 A839 I840 L844 N845 D846A838-K842 PolarHBondContact O-N 2.87Å; A839-K842 CarbonylContact O-C 3.38Å; A839-K842 WeakPolarHBondContact O-CA 3.45Å; A839-K842 WeakPolarHBondContact O-CB 3.48Å; A839-K842 PolarHBondContact O-N 2.78Å; I840-K842 VanDerWaalsContact C-N 3.34Å; K842-L844 PolarHBondContact O-N 3.28Å; K842-N845 CarbonylContact O-C 3.6Å; K842-N845 WeakPolarHBondContact O-CA 3.5Å; K842-N845 VanDerWaalsContact O-CB 3.31Å; K842-N845 WeakPolarHBondContact O-CB 3.12Å; K842-N845 PolarHBondContact O-N 3.16Å; K842-D846 VanDerWaalsContact NZ-CG 3.3Å; K842-D846 IonicContact NZ-OD1 3.38Å; K842-D846 PolarHBondContact NZ-OD1 2.8Å; K842-D846 IonicContact NZ-OD2 3.43Å; K842-D846 PolarHBondContact NZ-OD2 2.93Å; K842-D846 PolarHBondContact O-N 2.78Å
843E95.6Very high92.8Very high129 Ų12984.8 Ų84.860%0.60345%0.446SS*.Hα-helixtrans-55.5-46.8177.7-174.9-179-173.600111.9A839 N845 D846 Y847A839-E843 WeakPolarHBondContact O-CB 3.4Å; A839-E843 PolarHBondContact O-N 3.45Å; E843-N845 PolarHBondContact O-N 2.95Å; E843-D846 PolarHBondContact O-N 3.38Å; E843-Y847 WeakPolarHBondContact O-CB 3.4Å; E843-Y847 PolarHBondContact O-N 3.33Å
844L95.4Very high92.8Very high77 Ų7783.8 Ų83.840%0.40344%0.44SS..Hα-helixtrans-67-16.4174.1-70.6173.7000114.2I840 K842 K848I840-L844 HydrophobicContact CG2-CD1 3.84Å; I840-L844 HydrophobicContact CG2-CG 4.32Å; I840-L844 VanDerWaalsContact O-CB 3.27Å; I840-L844 WeakPolarHBondContact O-CB 3.46Å; I840-L844 WeakPolarHBondContact O-CG 3.4Å; I840-L844 PolarHBondContact O-N 2.84Å; K842-L844 PolarHBondContact O-N 3.28Å; L844-K848 WeakPolarHBondContact O-CD 3.22Å; L844-K848 WeakPolarHBondContact O-CE 3.48Å; L844-K848 WeakPolarHBondContact O-CG 3.49Å
845N94.6Very high92.7Very high25 Ų2584.6 Ų84.613%0.13443%0.433CS..Hα-helixtrans-88.6-44.3172-78.1-10.3000111.4R841 K842 E843 K848 S849 F864 H865R841-N845 WeakPolarHBondContact O-CB 3.31Å; R841-N845 PolarHBondContact O-N 3.03Å; R841-N845 PolarHBondContact O-ND2 2.79Å; R841-N845 PolarHBondContact O-OD1 3.25Å; K842-N845 CarbonylContact O-C 3.6Å; K842-N845 WeakPolarHBondContact O-CA 3.5Å; K842-N845 VanDerWaalsContact O-CB 3.31Å; K842-N845 WeakPolarHBondContact O-CB 3.12Å; K842-N845 PolarHBondContact O-N 3.16Å; E843-N845 PolarHBondContact O-N 2.95Å; N845-K848 PolarHBondContact O-N 2.81Å; N845-S849 WeakPolarHBondContact O-CB 3.47Å; N845-S849 PolarHBondContact O-N 3.21Å; N845-S849 PolarHBondContact O-OG 3.41Å; N845-F864 HydrophobicContact CB-CD1 3.89Å; N845-F864 WeakPolarHBondContact O-CE1 3.43Å; N845-F864 VanDerWaalsContact OD1-CA 3.3Å; N845-F864 WeakPolarHBondContact OD1-CA 3.11Å; N845-F864 WeakPolarHBondContact OD1-CB 3.4Å; N845-H865 PolarHBondContact ND2-O 3.11Å; N845-H865 PolarHBondContact OD1-CD2 2.9Å; N845-H865 PolarHBondContact OD1-N 2.68Å
846D94.5Very high92.7Very high63 Ų6388.9 Ų88.934%0.33744%0.442SS..Hα-helixtrans-55.3-55.3175.3-60.1-26.4000108.6K842 E843 K848 S849 T850K842-D846 VanDerWaalsContact NZ-CG 3.3Å; K842-D846 IonicContact NZ-OD1 3.38Å; K842-D846 PolarHBondContact NZ-OD1 2.8Å; K842-D846 IonicContact NZ-OD2 3.43Å; K842-D846 PolarHBondContact NZ-OD2 2.93Å; K842-D846 PolarHBondContact O-N 2.78Å; E843-D846 PolarHBondContact O-N 3.38Å; D846-K848 VanDerWaalsContact C-N 3.34Å; D846-K848 PolarHBondContact O-N 2.91Å; D846-S849 CarbonylContact O-C 3.54Å; D846-S849 WeakPolarHBondContact O-CA 3.39Å; D846-S849 PolarHBondContact O-N 3.07Å; D846-S849 PolarHBondContact O-OG 3.3Å; D846-T850 PolarHBondContact O-N 2.85Å; D846-T850 PolarHBondContact O-OG1 3.3Å
847Y94.6Very high92.6Very high111 Ų11192.8 Ų92.844%0.43546%0.459SS..Hα-helixtrans-50-49.9175.4-178.4-90.8000112.5E843 S849 E851 M852E843-Y847 WeakPolarHBondContact O-CB 3.4Å; E843-Y847 PolarHBondContact O-N 3.33Å; Y847-S849 PolarHBondContact O-N 2.84Å; Y847-S849 VanDerWaalsContact O-N 3.17Å; Y847-E851 HydrophobicContact CD2-CB 3.83Å; Y847-E851 HydrophobicContact CD2-CG 4.03Å; Y847-E851 WeakPolarHBondContact CD2-OE2 3.26Å; Y847-E851 HydrophobicContact CE2-CB 4Å; Y847-E851 HydrophobicContact CE2-CG 3.76Å; Y847-E851 WeakPolarHBondContact CE2-OE1 3.38Å; Y847-E851 HydrophobicContact CG-CB 4.41Å; Y847-E851 PolarHBondContact O-N 2.8Å; Y847-M852 HydrophobicContact CD1-CB 4.08Å; Y847-M852 HydrophobicContact CE1-CB 3.84Å; Y847-M852 HydrophobicContact CE1-CG 4.29Å; Y847-M852 WeakPolarHBondContact O-CB 3.35Å; Y847-M852 PolarHBondContact O-N 3.41Å
848K93.6Very high92.6Very high42 Ų4290.8 Ų90.818%0.18346%0.457CS..Hα-helixtrans-64-17.6177.5-75.9173.5-169.21680114.6L844 N845 D846 M852 R863 F864 H865L844-K848 WeakPolarHBondContact O-CD 3.22Å; L844-K848 WeakPolarHBondContact O-CE 3.48Å; L844-K848 WeakPolarHBondContact O-CG 3.49Å; N845-K848 PolarHBondContact O-N 2.81Å; D846-K848 VanDerWaalsContact C-N 3.34Å; D846-K848 PolarHBondContact O-N 2.91Å; K848-M852 HydrophobicContact CB-CE 4.04Å; K848-M852 HydrophobicContact CG-CE 3.88Å; K848-M852 HydrophobicContact CG-SD 4.11Å; K848-R863 PolarHBondContact NZ-O 3.38Å; K848-F864 HydrophobicContact CB-CD1 4.22Å; K848-F864 HydrophobicContact CB-CE1 3.68Å; K848-F864 HydrophobicContact CB-CZ 4.49Å; K848-H865 PolarHBondContact NZ-CD2 3.47Å; K848-H865 VanDerWaalsContact NZ-CD2 3.31Å; K848-H865 PolarHBondContact NZ-NE2 3.27Å
849S89.2Confident92.6Very high43 Ų4394.9 Ų94.930%0.30147%0.465SS..Hα-helixtrans-102.9-31.3-177.8730000113.4N845 D846 Y847 R859N845-S849 WeakPolarHBondContact O-CB 3.47Å; N845-S849 PolarHBondContact O-N 3.21Å; N845-S849 PolarHBondContact O-OG 3.41Å; D846-S849 CarbonylContact O-C 3.54Å; D846-S849 WeakPolarHBondContact O-CA 3.39Å; D846-S849 PolarHBondContact O-N 3.07Å; D846-S849 PolarHBondContact O-OG 3.3Å; Y847-S849 PolarHBondContact O-N 2.84Å; Y847-S849 VanDerWaalsContact O-N 3.17Å; S849-R859 PolarHBondContact O-NH2 3.04Å
850T89.8Confident92.4Very high113 Ų11398.5 Ų98.569%0.69348%0.475SS*.Hα-helixtrans-114.7-31.3-172.858.70000115.4D846D846-T850 PolarHBondContact O-N 2.85Å; D846-T850 PolarHBondContact O-OG1 3.3Å
851E93.9Very high92.4Very high139 Ų139103.6 Ų103.665%0.6549%0.492SS*.THydrogen-bonded Turntrans-116-34.4-169.2-168.7179.3156.600112.8Y847 E853Y847-E851 HydrophobicContact CD2-CB 3.83Å; Y847-E851 HydrophobicContact CD2-CG 4.03Å; Y847-E851 WeakPolarHBondContact CD2-OE2 3.26Å; Y847-E851 HydrophobicContact CE2-CB 4Å; Y847-E851 HydrophobicContact CE2-CG 3.76Å; Y847-E851 WeakPolarHBondContact CE2-OE1 3.38Å; Y847-E851 HydrophobicContact CG-CB 4.41Å; Y847-E851 PolarHBondContact O-N 2.8Å; E851-E853 PolarHBondContact O-N 2.92Å; E851-E853 VanDerWaalsContact O-N 3.11Å
852M90.4Very high92.3Very high67 Ų67100.3 Ų100.333%0.3348%0.482SS..SBendtrans-73.7101.1173.7-167.8179.375.400110Y847 K848 V854 T862Y847-M852 HydrophobicContact CD1-CB 4.08Å; Y847-M852 HydrophobicContact CE1-CB 3.84Å; Y847-M852 HydrophobicContact CE1-CG 4.29Å; Y847-M852 WeakPolarHBondContact O-CB 3.35Å; Y847-M852 PolarHBondContact O-N 3.41Å; K848-M852 HydrophobicContact CB-CE 4.04Å; K848-M852 HydrophobicContact CG-CE 3.88Å; K848-M852 HydrophobicContact CG-SD 4.11Å; M852-V854 HydrophobicContact CE-CG2 3.72Å; M852-V854 HydrophobicContact CG-CG2 4.36Å; M852-V854 PolarHBondContact O-N 3.07Å; M852-T862 HydrophobicContact CE-CG2 4.24Å
853E90.4Very high92.2Very high196 Ų196104.7 Ų104.792%0.91650%0.495SS*.  trans-62.7124.5176.6-170.8172.7-156.200111.2E851E851-E853 PolarHBondContact O-N 2.92Å; E851-E853 VanDerWaalsContact O-N 3.11Å
854V89.8Confident92.2Very high40 Ų40103.4 Ų103.424%0.24249%0.488CS..  trans-142132.3178.7179.80000108.1M852 E856 T862M852-V854 HydrophobicContact CE-CG2 3.72Å; M852-V854 HydrophobicContact CG-CG2 4.36Å; M852-V854 PolarHBondContact O-N 3.07Å; V854-E856 PolarHBondContact O-N 3.08Å; V854-T862 HydrophobicContact CG1-CG2 4.22Å; V854-T862 HydrophobicContact CG2-CG2 4.13Å
855H91.5Very high92.1Very high131 Ų131103.3 Ų103.361%0.60649%0.485SS*.  trans-50.7136.6176.1-159.2-103.1000111.1E857 S858 R859H855-E857 IonicContact CE1-OE2 3.91Å; H855-E857 PolarHBondContact CE1-OE2 2.9Å; H855-E857 IonicContact ND1-OE2 3.21Å; H855-E857 PolarHBondContact ND1-OE2 2.72Å; H855-E857 PolarHBondContact O-N 2.85Å; H855-S858 CarbonylContact O-C 3.3Å; H855-S858 WeakPolarHBondContact O-CA 3.47Å; H855-S858 WeakPolarHBondContact O-CB 3.15Å; H855-S858 PolarHBondContact O-N 3.45Å; H855-R859 PolarHBondContact O-N 3.35Å; H855-R859 VanDerWaalsContact O-N 3.13Å
856E90Very high91.8Very high157 Ų157112.4 Ų112.473%0.73452%0.518SS*.G310 helixtrans-57.7-46.5-164.8-57.3-168142.300112.8V854 S858 R859V854-E856 PolarHBondContact O-N 3.08Å; E856-S858 PolarHBondContact O-N 3.43Å; E856-S858 VanDerWaalsContact O-N 3.17Å; E856-R859 VanDerWaalsContact O-CB 3.27Å; E856-R859 WeakPolarHBondContact O-CB 3.37Å; E856-R859 PolarHBondContact O-N 3.21Å
857E90.8Very high90.8Very high146 Ų146116.2 Ų116.268%0.68255%0.546SS*.G310 helixtrans-55.7-30.1173.9-56.9174.614600113.5H855H855-E857 IonicContact CE1-OE2 3.91Å; H855-E857 PolarHBondContact CE1-OE2 2.9Å; H855-E857 IonicContact ND1-OE2 3.21Å; H855-E857 PolarHBondContact ND1-OE2 2.72Å; H855-E857 PolarHBondContact O-N 2.85Å
858S93.1Very high90.6Very high53 Ų53116.5 Ų116.537%0.37155%0.551SS.*G310 helixtrans-91.2-11.7-179-69.70000113.6H855 E856 I860 Y861H855-S858 CarbonylContact O-C 3.3Å; H855-S858 WeakPolarHBondContact O-CA 3.47Å; H855-S858 WeakPolarHBondContact O-CB 3.15Å; H855-S858 PolarHBondContact O-N 3.45Å; E856-S858 PolarHBondContact O-N 3.43Å; E856-S858 VanDerWaalsContact O-N 3.17Å; S858-I860 PolarHBondContact O-N 2.91Å; S858-I860 VanDerWaalsContact O-N 3.16Å; S858-Y861 PolarHBondContact O-N 2.85Å
859R91Very high90.5Very high116 Ų116120.4 Ų120.444%0.43857%0.571SS.*G310 helixtrans-58.9-31.1-177.9-151.3178.7-158.2131.90.3111.9S849 H855 E856 Y861 T862S849-R859 PolarHBondContact O-NH2 3.04Å; H855-R859 PolarHBondContact O-N 3.35Å; H855-R859 VanDerWaalsContact O-N 3.13Å; E856-R859 VanDerWaalsContact O-CB 3.27Å; E856-R859 WeakPolarHBondContact O-CB 3.37Å; E856-R859 PolarHBondContact O-N 3.21Å; R859-Y861 PolarHBondContact O-N 2.79Å; R859-T862 WeakPolarHBondContact O-CB 3.4Å; R859-T862 WeakPolarHBondContact O-CG2 3.31Å; R859-T862 PolarHBondContact O-N 3.2Å; R859-T862 VanDerWaalsContact O-N 3.14Å; R859-T862 PolarHBondContact O-OG1 3.39Å
860I89.4Confident90.5Very high132 Ų132124.7 Ų124.768%0.67759%0.586SS**G310 helixtrans-63.3-19.8175.966.1178.3000114.5S858S858-I860 PolarHBondContact O-N 2.91Å; S858-I860 VanDerWaalsContact O-N 3.16Å
861Y92.8Very high90.6Very high174 Ų174125.4 Ų125.468%0.68258%0.579SS**G310 helixtrans-92.7-3.4177.9-55.3-63000113.2S858 R859 R863S858-Y861 PolarHBondContact O-N 2.85Å; R859-Y861 PolarHBondContact O-N 2.79Å; Y861-R863 PolarHBondContact O-N 3.32Å
862T91.9Very high90.4Very high27 Ų27124.5 Ų124.517%0.16658%0.575CS.*  trans-65.9132.7178.659.70000111.3M852 V854 R859 F864M852-T862 HydrophobicContact CE-CG2 4.24Å; V854-T862 HydrophobicContact CG1-CG2 4.22Å; V854-T862 HydrophobicContact CG2-CG2 4.13Å; R859-T862 WeakPolarHBondContact O-CB 3.4Å; R859-T862 WeakPolarHBondContact O-CG2 3.31Å; R859-T862 PolarHBondContact O-N 3.2Å; R859-T862 VanDerWaalsContact O-N 3.14Å; R859-T862 PolarHBondContact O-OG1 3.39Å; T862-F864 WeakPolarHBondContact OG1-CE2 3.21Å; T862-F864 WeakPolarHBondContact OG1-CZ 3.44Å
863R94.6Very high90.4Very high217 Ų217128.3 Ų128.382%0.81959%0.591SS**  trans-103.797-173.6-72.5-17561174.9-4.8111.9K848 Y861K848-R863 PolarHBondContact NZ-O 3.38Å; Y861-R863 PolarHBondContact O-N 3.32Å
864F93.9Very high90.4Very high102 Ų102123.5 Ų123.545%0.44757%0.568SS.*PPolyproline II helixtrans-72147.4171.1-58.9-74.4000112.2N845 K848 T862N845-F864 HydrophobicContact CB-CD1 3.89Å; N845-F864 WeakPolarHBondContact O-CE1 3.43Å; N845-F864 VanDerWaalsContact OD1-CA 3.3Å; N845-F864 WeakPolarHBondContact OD1-CA 3.11Å; N845-F864 WeakPolarHBondContact OD1-CB 3.4Å; K848-F864 HydrophobicContact CB-CD1 4.22Å; K848-F864 HydrophobicContact CB-CE1 3.68Å; K848-F864 HydrophobicContact CB-CZ 4.49Å; T862-F864 WeakPolarHBondContact OG1-CE2 3.21Å; T862-F864 WeakPolarHBondContact OG1-CZ 3.44Å
865H93.6Very high90.4Very high76 Ų76129.9 Ų129.935%0.35259%0.593SS.*PPolyproline II helixtrans-71.1154.4165.2-58.5-82.8000109.5R841 N845 K848R841-H865 HydrophobicContact CB-CB 3.98Å; R841-H865 HydrophobicContact CG-CB 3.93Å; N845-H865 PolarHBondContact ND2-O 3.11Å; N845-H865 PolarHBondContact OD1-CD2 2.9Å; N845-H865 PolarHBondContact OD1-N 2.68Å; K848-H865 PolarHBondContact NZ-CD2 3.47Å; K848-H865 VanDerWaalsContact NZ-CD2 3.31Å; K848-H865 PolarHBondContact NZ-NE2 3.27Å
866R88.8Confident90.3Very high216 Ų216129.8 Ų129.882%0.81559%0.592SS**PPolyproline II helixtrans-72.8143.9169.2-69.3-177.4172.9-170-6.4109.6R841R841-R866 WeakPolarHBondContact CD-O 3.34Å; R841-R866 PolarHBondContact NE-O 2.98Å
867P73.9Confident90.4Very high142 Ų142127.4 Ų127.492%0.92258%0.579SS**  trans-46.70171.3-30.437.2000113.7R841R841-P867 PolarHBondContact NH2-O 3.24Å; R841-P867 PolarHBondContact NH2-OXT 2.85Å

Retrieved 867 of 867 residues in 505.9 ms (Link to these results)