A0A096M9L7_POEFO Loading...

Ubiquitin interaction motif-containing protein 1

AlphaFold DB , UniProt , Accession A0A096M9L7, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 799 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M36.4Very low39Very low245 Ų245154.7 Ų154.7100%1.20783%0.828SS**  0-1760-88.9157.35900109.4
2R38.4Very low38.4Very low252 Ų252149.5 Ų149.595%0.95181%0.812SS**  trans-55.1152.9-178.3-51.9167.3-170.7-139.9-0.1111.5
3G39.1Very low37.8Very low64 Ų64146.3 Ų146.366%0.6681%0.808SS**  cis-166.9155.5-0.300000111.1
4R42.2Very low37.6Very low262 Ų262144.4 Ų144.499%0.98980%0.802SS**  65.6102.4101.8-74.9-166.1176.8-147.40.4117
5G35.2Very low37.3Very low72 Ų72143.1 Ų143.174%0.74280%0.799SS**  trans142.8146.9142.500000114.1
6R39.9Very low37.1Very low204 Ų204139.3 Ų139.377%0.7779%0.792SS**  cis168.2134.6-31.6-119.1-176.3171-120.64.1105.6
7H37.5Very low36.9Very low159 Ų159138.9 Ų138.974%0.73679%0.793SS**  trans70.4130.6168.6-48.1-52.1000115.7
8S38.4Very low37Very low92 Ų92139.3 Ų139.364%0.64379%0.787SS**  cis80.8102.529.983.70000115.2
9S33.6Very low37.1Very low124 Ų124139.4 Ų139.487%0.86778%0.78SS**  trans-173.7141.8147.6-950000111.8
10S34.5Very low37.2Very low115 Ų115140.5 Ų140.580%0.80478%0.779SS**  trans-124.1-175.2160.3-41.20000106.7
11P53.8Low37.1Very low113 Ų113137.9 Ų137.973%0.73477%0.77SS**  cis-135.8-161.1-837.6-15.5000113.5
12S31.3Very low37.3Very low92 Ų92137.5 Ų137.564%0.64376%0.756SS**  trans70.5108.4140.469.60000123.3
13S31.6Very low37.4Very low108 Ų108132.8 Ų132.876%0.75575%0.746SS**  7616711968.60000123.9
14V34Very low37.1Very low119 Ų119134.3 Ų134.372%0.72175%0.753SS**  trans102.5108.4156-161.80000119.3
15T33.7Very low37Very low125 Ų125128.2 Ų128.277%0.76774%0.739SS**  trans54.6119.1151.1630000124.8
16A33.9Very low37Very low83 Ų83136 Ų13669%0.68675%0.746SS**  57.1171.9110.500000123.2
17T33.4Very low37.1Very low132 Ų132134.6 Ų134.681%0.8175%0.746SS**  trans75.4153.7171.671.80000117.2
18Q39.6Very low37Very low147 Ų147133.2 Ų133.269%0.68774%0.744SS**  cis-171.5129.3-25.5164.2161.3-4.200111.6
19Q38.3Very low36.7Very low140 Ų140136.3 Ų136.365%0.65475%0.752SS**  trans66.5156.6149.9-93.9-176.4-36.500124.9
20Q39.1Very low36.9Very low161 Ų161136.3 Ų136.375%0.75275%0.747SS**  trans75.9151.1143.8-75.8168.959.600120.2
21S36.2Very low37Very low86 Ų86138.7 Ų138.760%0.60175%0.745SS**  cis-178.3139.2-25.7176.50000111.5
22R40.3Very low35.9Very low237 Ų237139.3 Ų139.389%0.89474%0.743SS**  trans173.9115.6143.8-98.3158161.6123.4-2.3108.7
23M39.8Very low35.9Very low153 Ų153140.8 Ų140.875%0.75475%0.747SS**  67.9134.974-66.2-74.9-8500112.9
24A33.2Very low35.7Very low97 Ų97140.6 Ų140.680%0.80275%0.746SS**  cis-144.3-175.631.800000116.1
25L39.2Very low35.6Very low133 Ų133139.8 Ų139.870%0.69675%0.746SS**  trans-114.9159.4-162.6-63.2156.2000114.6
26R36.6Very low35.3Very low235 Ų235141.5 Ų141.589%0.88775%0.751SS**  -169.6123.7129.3-96.1146.1-170.2-134.91.2109.2
27K41.7Very low35.2Very low175 Ų175141.7 Ų141.776%0.76175%0.747SS**  72.6131.767.8-74.3-164173.2-164.30112.3
28N35.3Very low35.3Very low130 Ų130143.6 Ų143.670%0.69575%0.746SS**  cis-147.513910-91.7-17.6000108.9
29L31.5Very low34.9Very low157 Ų157144.3 Ų144.382%0.82275%0.75SS**  71.1117.486.6-164.267.3000115.5
30T38.6Very low34.5Very low125 Ų125143.5 Ų143.577%0.76775%0.75SS**  trans-90.7-169.2174.245.50000112.4
31Q36.3Very low34.4Very low164 Ų164143.3 Ų143.377%0.76675%0.749SS**  trans95.9142.5176.3-60.6-170.7-5.600115.4
32N29.6Very low34.1Very low126 Ų126144.8 Ų144.867%0.67475%0.75SS**  cis-162.8164.3-3.1-119.8-13.6000114.7
33V31.7Very low33.8Very low123 Ų123138.6 Ų138.675%0.74574%0.739SS**  trans71.3106.4140.41690000121.3
34S28Very low33.5Very low104 Ų104137.8 Ų137.873%0.72773%0.733SS**  88.5149.9123.1-158.60000124
35S31.3Very low33.4Very low102 Ų102139.7 Ų139.771%0.71373%0.726SS**  trans95.294.4146.9-64.80000121.2
36D28.2Very low33.1Very low162 Ų162139.7 Ų139.787%0.86673%0.726SS**  90.1161.8112.4-148.23.6000120.1
37S32.1Very low33.1Very low87 Ų87137.5 Ų137.561%0.60872%0.723SS**  trans77.296.4169.1-164.60000119.8
38Q34.2Very low32.7Very low171 Ų171134.1 Ų134.180%0.79973%0.728SS**  45.7159.4119-58.8-176.7-15.200122.9
39Q32.3Very low33Very low163 Ų163133.6 Ų133.676%0.76273%0.734SS**  trans75.9147.3160.2-53.3-149-92.900117.4
40D28.8Very low33.4Very low123 Ų123132.9 Ų132.966%0.65874%0.736SS**  cis-164.1179.4-30.9-110.1-41.4000108.6
41E37.1Very low33.4Very low157 Ų157133.4 Ų133.473%0.73474%0.735SS**  trans32.4119.1147.3-77.2-149.87400121
42N29.6Very low33.7Very low117 Ų117132.2 Ų132.263%0.62674%0.739SS**  101.617070.7-167.915.9000111
43T35.4Very low34.3Very low106 Ų106134.9 Ų134.965%0.6575%0.747SS**  trans74.996.6171-15.90000114
44Q32.6Very low34.8Very low137 Ų137134.5 Ų134.564%0.6475%0.75SS**  81.913650.8-164.8-174.4-46.900112.7
45E30.9Very low35.5Very low137 Ų137139.1 Ų139.164%0.6475%0.752SS**  trans51.9156.1169.670.5-123140.700119.2
46D34Very low36.1Very low132 Ų132141.3 Ų141.371%0.70676%0.755SS**  cis-149.8141.510.7-133.3-2.2000109.3
47K36.7Very low36.7Very low190 Ų190137 Ų13783%0.82675%0.748SS**  37.4102.4104-53.2-72.5-173.9178.40116.8
48A32.3Very low37.3Very low104 Ų104138.4 Ų138.486%0.8675%0.749SS**  trans-156.1140.9142.400000110.9
49S41.7Very low37.8Very low119 Ų119134 Ų13483%0.83274%0.737SS**  trans-101.4143.8178.6-47.90000111.3
50T39Very low38.3Very low141 Ų141131 Ų13187%0.86573%0.734SS**  trans-139.8128.3145.147.10000111.2
51D38.6Very low38.9Very low137 Ų137132.1 Ų132.173%0.73374%0.739SS**  trans-64.8146170169.635.7000112.4
52T43.2Very low39.3Very low139 Ų139130.9 Ų130.985%0.85374%0.737SS**  trans-170.8129.8143.67.10000112
53E43.1Very low40.3Very low182 Ų182132.4 Ų132.485%0.8574%0.74SS**  trans-78.7171.4-179-61.1-176.397.600115.2
54S41.2Very low40.9Very low115 Ų115132.4 Ų132.480%0.80475%0.745SS**  trans86104.8146.3-165.50000119.7
55R43.7Very low41.8Very low201 Ų201131.3 Ų131.376%0.75875%0.747SS**  -159.99.6128.8-122.4-175.666.6-166-3.5120.5G57R55-G57 PolarHBondContact O-N 3.28Å
56D44.2Very low42.8Very low148 Ų148129.5 Ų129.579%0.79174%0.741SS**THydrogen-bonded Turntrans-7422.9-173.7-64.9-59.1000117L58D56-L58 VanDerWaalsContact C-N 3.34Å; D56-L58 PolarHBondContact O-N 3.18Å
57G40.5Very low44Very low70 Ų70129 Ų12972%0.72274%0.738SS**THydrogen-bonded Turntrans-79.7-3.5177.300000116R55R55-G57 PolarHBondContact O-N 3.28Å
58L43.2Very low45Very low117 Ų117124.3 Ų124.361%0.61373%0.727SS**SBendtrans-115.1-19.8-168.3-63.5178.2000115.6D56 S60D56-L58 VanDerWaalsContact C-N 3.34Å; D56-L58 PolarHBondContact O-N 3.18Å; L58-S60 VanDerWaalsContact C-N 3.34Å; L58-S60 PolarHBondContact O-N 3.3Å
59S45.1Very low46Very low80 Ų80128.8 Ų128.856%0.55972%0.722SS**THydrogen-bonded Turntrans-69.2-29.4-175.8-58.20000113.5
60S43Very low46.9Very low98 Ų98127.6 Ų127.669%0.68570%0.703SS**THydrogen-bonded Turntrans-78.8-16.7-174.1-54.10000114.8L58L58-S60 VanDerWaalsContact C-N 3.34Å; L58-S60 PolarHBondContact O-N 3.3Å
61L41.9Very low48.1Very low148 Ų148128 Ų12878%0.77569%0.693SS**THydrogen-bonded Turntrans-89.1-19.9-175.7-153.471.4000113.4
62L45.9Very low49.2Very low131 Ų131128.1 Ų128.169%0.68668%0.683SS**G310 helixtrans-87.6-11.3-176-67.4175.1000114.4S64L62-S64 PolarHBondContact O-N 3.31Å
63Q49.2Very low50.2Low149 Ų149130 Ų13070%0.69667%0.674SS**G310 helixtrans-74.2-13.5178.9-60.5-170.614.900113.5T65Q63-T65 VanDerWaalsContact C-N 3.34Å; Q63-T65 PolarHBondContact O-N 3.32Å
64S48.2Very low51Low106 Ų106124.6 Ų124.674%0.74165%0.654SS**G310 helixtrans-84.12.7-173.4-620000115.3L62L62-S64 PolarHBondContact O-N 3.31Å
65T52Low51.7Low114 Ų114123.7 Ų123.770%0.69964%0.637SS**G310 helixtrans-12522.7-177.147.70000114.5Q63 L67Q63-T65 VanDerWaalsContact C-N 3.34Å; Q63-T65 PolarHBondContact O-N 3.32Å; T65-L67 PolarHBondContact O-N 3.25Å
66L52.5Low52.4Low98 Ų98122.6 Ų122.651%0.51363%0.633SS.*  trans-69.3128.2173-55.9-174.2000111.5
67L59.8Low52.9Low121 Ų121122.8 Ų122.863%0.63463%0.627SS**  trans-65.2154.1-176.3-71.8167.7000112.2T65 R69 E70 K71T65-L67 PolarHBondContact O-N 3.25Å; L67-R69 PolarHBondContact O-N 3.28Å; L67-E70 WeakPolarHBondContact O-CA 3.27Å; L67-E70 WeakPolarHBondContact O-CB 3.4Å; L67-E70 PolarHBondContact O-N 3.28Å; L67-K71 PolarHBondContact O-N 3.09Å
68P55.8Low53.6Low93 Ų93124.6 Ų124.660%0.60462%0.62SS**THydrogen-bonded Turntrans-66.7-1178.427.7-36.2000114.9R72P68-R72 PolarHBondContact O-NE 3.26Å; P68-R72 VanDerWaalsContact O-NE 3.14Å; P68-R72 PolarHBondContact O-NH2 3.18Å
69R54.5Low54Low197 Ų197125.3 Ų125.374%0.74362%0.62SS**THydrogen-bonded Turntrans-87.6-27.5167.8-176.2176.2176113.5-5.6112.2L67 R73L67-R69 PolarHBondContact O-N 3.28Å; R69-R73 PolarHBondContact O-N 3.25Å
70E59.6Low54.2Low95 Ų95126.7 Ų126.744%0.44463%0.628SS.*THydrogen-bonded Turntrans-89.1-40.5-177.9-173.3158-149.600112L67 R72 R73 T74L67-E70 WeakPolarHBondContact O-CA 3.27Å; L67-E70 WeakPolarHBondContact O-CB 3.4Å; L67-E70 PolarHBondContact O-N 3.28Å; E70-R72 PolarHBondContact O-N 3.44Å; E70-R73 CarbonylContact O-C 3.56Å; E70-R73 WeakPolarHBondContact O-CA 3.3Å; E70-R73 WeakPolarHBondContact O-CB 3.49Å; E70-R73 PolarHBondContact O-N 3.25Å; E70-T74 PolarHBondContact O-N 3.16Å; E70-T74 PolarHBondContact O-OG1 2.87Å
71K65.1Low54.5Low150 Ų150131.8 Ų131.865%0.65263%0.632SS**Hα-helixtrans-54.5-40166.3-173.8173.6-179.8177.30111.7L67 R73 T74 E75L67-K71 PolarHBondContact O-N 3.09Å; K71-R73 VanDerWaalsContact C-N 3.29Å; K71-R73 PolarHBondContact O-N 3.23Å; K71-T74 PolarHBondContact O-N 3.49Å; K71-T74 PolarHBondContact O-OG1 3.23Å; K71-T74 VanDerWaalsContact O-OG1 3.08Å; K71-E75 WeakPolarHBondContact O-CB 3.43Å; K71-E75 PolarHBondContact O-N 3.46Å
72R61.6Low55.2Low138 Ų138134.7 Ų134.752%0.52163%0.633SS.*Hα-helixtrans-69.7-19172.5-104.4-178.5-68-171.5-6.9114.4P68 E70 E75 R76P68-R72 PolarHBondContact O-NE 3.26Å; P68-R72 VanDerWaalsContact O-NE 3.14Å; P68-R72 PolarHBondContact O-NH2 3.18Å; E70-R72 PolarHBondContact O-N 3.44Å; R72-E75 VanDerWaalsContact CG-OE2 3.22Å; R72-E75 WeakPolarHBondContact CG-OE2 3.22Å; R72-R76 WeakPolarHBondContact O-CB 3.5Å; R72-R76 VanDerWaalsContact O-CD 3.25Å; R72-R76 WeakPolarHBondContact O-CD 3.32Å; R72-R76 WeakPolarHBondContact O-CG 3.49Å; R72-R76 PolarHBondContact O-N 3.33Å
73R63.8Low56.1Low178 Ų178135.3 Ų135.367%0.67263%0.63SS**Hα-helixtrans-83.8-38.9172.1-86-174.8161.3-158.3-7.1111.8R69 E70 K71 K77R69-R73 PolarHBondContact O-N 3.25Å; E70-R73 CarbonylContact O-C 3.56Å; E70-R73 WeakPolarHBondContact O-CA 3.3Å; E70-R73 WeakPolarHBondContact O-CB 3.49Å; E70-R73 PolarHBondContact O-N 3.25Å; K71-R73 VanDerWaalsContact C-N 3.29Å; K71-R73 PolarHBondContact O-N 3.23Å; R73-K77 VanDerWaalsContact O-CB 3.28Å; R73-K77 WeakPolarHBondContact O-CB 3.43Å; R73-K77 PolarHBondContact O-N 2.91Å
74T59.5Low57.1Low69 Ų69136.9 Ų136.942%0.42364%0.638SS.*Hα-helixtrans-70.8-40.3174.150.20000111.8E70 K71 R76 K77 N78E70-T74 PolarHBondContact O-N 3.16Å; E70-T74 PolarHBondContact O-OG1 2.87Å; K71-T74 PolarHBondContact O-N 3.49Å; K71-T74 PolarHBondContact O-OG1 3.23Å; K71-T74 VanDerWaalsContact O-OG1 3.08Å; T74-R76 PolarHBondContact O-N 2.81Å; T74-K77 CarbonylContact O-C 3.6Å; T74-K77 PolarHBondContact O-N 2.96Å; T74-K77 VanDerWaalsContact O-N 3.16Å; T74-N78 WeakPolarHBondContact O-CB 3.31Å; T74-N78 PolarHBondContact O-N 3.33Å; T74-N78 PolarHBondContact O-OD1 3.33Å
75E56.6Low58.3Low97 Ų97135.7 Ų135.745%0.45362%0.622SS.*Hα-helixtrans-53.9-50.9168.8179.9176.1-125.600111.8K71 R72 K77 N78 H79K71-E75 WeakPolarHBondContact O-CB 3.43Å; K71-E75 PolarHBondContact O-N 3.46Å; R72-E75 VanDerWaalsContact CG-OE2 3.22Å; R72-E75 WeakPolarHBondContact CG-OE2 3.22Å; E75-K77 PolarHBondContact O-N 3.35Å; E75-N78 PolarHBondContact O-N 3.42Å; E75-H79 PolarHBondContact O-N 3.3Å
76R58.3Low60.1Low178 Ų178133.8 Ų133.867%0.67261%0.61SS**Hα-helixtrans-63.6-37.6173.8-74.2171.6-175.6-160.4-4113.3R72 T74 N78 H79 C80R72-R76 WeakPolarHBondContact O-CB 3.5Å; R72-R76 VanDerWaalsContact O-CD 3.25Å; R72-R76 WeakPolarHBondContact O-CD 3.32Å; R72-R76 WeakPolarHBondContact O-CG 3.49Å; R72-R76 PolarHBondContact O-N 3.33Å; T74-R76 PolarHBondContact O-N 2.81Å; R76-N78 VanDerWaalsContact C-N 3.32Å; R76-H79 CarbonylContact O-C 3.23Å; R76-H79 PolarHBondContact O-N 3.43Å; R76-C80 VanDerWaalsContact O-CB 3.26Å; R76-C80 WeakPolarHBondContact O-CB 3.49Å; R76-C80 PolarHBondContact O-N 3.44Å
77K55.1Low62Low151 Ų151137.5 Ų137.566%0.65762%0.624SS**Hα-helixtrans-69.3-30.5177.5-167.8171.6-177179.40112.1R73 T74 E75 C80 R81R73-K77 VanDerWaalsContact O-CB 3.28Å; R73-K77 WeakPolarHBondContact O-CB 3.43Å; R73-K77 PolarHBondContact O-N 2.91Å; T74-K77 CarbonylContact O-C 3.6Å; T74-K77 PolarHBondContact O-N 2.96Å; T74-K77 VanDerWaalsContact O-N 3.16Å; E75-K77 PolarHBondContact O-N 3.35Å; K77-C80 CarbonylContact O-C 3.56Å; K77-C80 PolarHBondContact O-N 3Å; K77-R81 PolarHBondContact O-N 3.34Å
78N54.8Low63.5Low108 Ų108138.2 Ų138.258%0.57862%0.624SS**Hα-helixtrans-76.6-37.9173.6-67.1-4.5000111.4T74 E75 R76 C80 R81T74-N78 WeakPolarHBondContact O-CB 3.31Å; T74-N78 PolarHBondContact O-N 3.33Å; T74-N78 PolarHBondContact O-OD1 3.33Å; E75-N78 PolarHBondContact O-N 3.42Å; R76-N78 VanDerWaalsContact C-N 3.32Å; N78-C80 VanDerWaalsContact C-N 3.25Å; N78-C80 PolarHBondContact O-N 3.41Å; N78-R81 CarbonylContact O-C 3.44Å; N78-R81 VanDerWaalsContact O-C 3.23Å; N78-R81 WeakPolarHBondContact O-CA 3.46Å; N78-R81 WeakPolarHBondContact O-CB 3.49Å; N78-R81 PolarHBondContact O-N 3.35Å
79H51.4Low65.3Low133 Ų133137.3 Ų137.362%0.61661%0.612SS**Hα-helixtrans-69.6-21.1168.3-69-31.3000113.6E75 R76 R81 R82E75-H79 PolarHBondContact O-N 3.3Å; R76-H79 CarbonylContact O-C 3.23Å; R76-H79 PolarHBondContact O-N 3.43Å; H79-R81 VanDerWaalsContact C-N 3.25Å; H79-R82 PolarHBondContact O-N 3.35Å
80C48.8Very low67.3Low108 Ų108133.5 Ų133.573%0.7360%0.603SS**THydrogen-bonded Turntrans-80.5-6.8167.6-159.50000112.6R76 K77 N78R76-C80 VanDerWaalsContact O-CB 3.26Å; R76-C80 WeakPolarHBondContact O-CB 3.49Å; R76-C80 PolarHBondContact O-N 3.44Å; K77-C80 CarbonylContact O-C 3.56Å; K77-C80 PolarHBondContact O-N 3Å; N78-C80 VanDerWaalsContact C-N 3.25Å; N78-C80 PolarHBondContact O-N 3.41Å
81R50.3Low69.1Low205 Ų205134.2 Ų134.277%0.77461%0.608SS**THydrogen-bonded Turntrans-10247.4157.4-67.3-174.1179.5-93.212.5109.8K77 N78 H79 K83K77-R81 PolarHBondContact O-N 3.34Å; N78-R81 CarbonylContact O-C 3.44Å; N78-R81 VanDerWaalsContact O-C 3.23Å; N78-R81 WeakPolarHBondContact O-CA 3.46Å; N78-R81 WeakPolarHBondContact O-CB 3.49Å; N78-R81 PolarHBondContact O-N 3.35Å; H79-R81 VanDerWaalsContact C-N 3.25Å; R81-K83 PolarHBondContact O-N 2.98Å
82R56.1Low70.6Confident210 Ų210131.9 Ų131.979%0.79260%0.602SS**  trans-55.4127.9142.9-80.4175-173.8163.10.9105.1H79 E84H79-R82 PolarHBondContact O-N 3.35Å; R82-E84 PolarHBondContact O-N 3.5Å; R82-E84 VanDerWaalsContact O-N 3.08Å
83K66.3Low72.2Confident143 Ų143128.9 Ų128.962%0.62260%0.596SS**  trans-65.1111.9168.6-158.5-171.6-177.5-144.40104.6R81 M85 E89R81-K83 PolarHBondContact O-N 2.98Å; K83-M85 VanDerWaalsContact C-N 3.35Å; K83-M85 PolarHBondContact O-N 2.95Å; K83-E89 IonicContact NZ-OE1 3.5Å; K83-E89 PolarHBondContact NZ-OE1 2.87Å; K83-E89 IonicContact NZ-OE2 2.58Å; K83-E89 PolarHBondContact NZ-OE2 3.14Å
84E70.1Confident73.8Confident183 Ų183123.1 Ų123.186%0.85559%0.587SS**  trans-58.8110160.4-73.2161.1172.700103.7R82R82-E84 PolarHBondContact O-N 3.5Å; R82-E84 VanDerWaalsContact O-N 3.08Å
85M71.7Confident75.6Confident81 Ų81125 Ų12540%0.39959%0.594SS.*  trans-68.3135.8-178.8-55.7-162.4-4000105.8K83 E89 E90 L93K83-M85 VanDerWaalsContact C-N 3.35Å; K83-M85 PolarHBondContact O-N 2.95Å; M85-E89 HydrophobicContact CB-CB 3.99Å; M85-E90 HydrophobicContact CB-CG 3.73Å; M85-E90 HydrophobicContact CE-CG 3.81Å; M85-L93 HydrophobicContact CE-CD2 3.87Å
86T90.2Very high77.6Confident74 Ų74126.4 Ų126.445%0.45460%0.6SS.*  trans-64.2154.8174.850.80000108.9E88 E89 E90T86-E88 PolarHBondContact O-N 3.48Å; T86-E88 VanDerWaalsContact O-N 3.09Å; T86-E89 CarbonylContact O-C 3.59Å; T86-E89 WeakPolarHBondContact O-CA 3.47Å; T86-E89 WeakPolarHBondContact O-CB 3.33Å; T86-E89 PolarHBondContact O-N 2.92Å; T86-E89 WeakPolarHBondContact OG1-CG 3.29Å; T86-E89 PolarHBondContact OG1-N 3.49Å; T86-E90 PolarHBondContact O-N 2.77Å
87E92.5Very high79.4Confident175 Ų175122.4 Ų122.482%0.81859%0.592SS**Hα-helixtrans-49.3-36.9173.9-174.2177.4172.400111.8E90 M91E87-E90 PolarHBondContact O-N 3.33Å; E87-M91 VanDerWaalsContact O-CB 3.29Å; E87-M91 WeakPolarHBondContact O-CB 3.48Å; E87-M91 PolarHBondContact O-N 3.25Å
88E91.4Very high81.4Confident136 Ų136118.9 Ų118.964%0.63659%0.586SS**Hα-helixtrans-62.9-45.3170.8-170.2177.4-151.600113.6T86 E90 M91 D92T86-E88 PolarHBondContact O-N 3.48Å; T86-E88 VanDerWaalsContact O-N 3.09Å; E88-E90 VanDerWaalsContact C-N 3.33Å; E88-E90 PolarHBondContact O-N 3.28Å; E88-M91 PolarHBondContact O-N 2.83Å; E88-D92 WeakPolarHBondContact O-CB 3.19Å; E88-D92 PolarHBondContact O-N 3.01Å
89E94.8Very high83.4Confident75 Ų75121.6 Ų121.635%0.3559%0.592SS.*Hα-helixtrans-67.3-30.1174.4-76.8-174.3146.100112.8K83 M85 T86 L93K83-E89 IonicContact NZ-OE1 3.5Å; K83-E89 PolarHBondContact NZ-OE1 2.87Å; K83-E89 IonicContact NZ-OE2 2.58Å; K83-E89 PolarHBondContact NZ-OE2 3.14Å; M85-E89 HydrophobicContact CB-CB 3.99Å; T86-E89 CarbonylContact O-C 3.59Å; T86-E89 WeakPolarHBondContact O-CA 3.47Å; T86-E89 WeakPolarHBondContact O-CB 3.33Å; T86-E89 PolarHBondContact O-N 2.92Å; T86-E89 WeakPolarHBondContact OG1-CG 3.29Å; T86-E89 PolarHBondContact OG1-N 3.49Å; E89-L93 WeakPolarHBondContact O-CB 3.43Å; E89-L93 PolarHBondContact O-N 2.82Å
90E95.4Very high85.6Confident116 Ų116120.6 Ų120.654%0.54259%0.588SS.*Hα-helixtrans-75.5-39.4173.8-56.7-149.7141.400111.7M85 T86 E87 E88 L93 A94M85-E90 HydrophobicContact CB-CG 3.73Å; M85-E90 HydrophobicContact CE-CG 3.81Å; T86-E90 PolarHBondContact O-N 2.77Å; E87-E90 PolarHBondContact O-N 3.33Å; E88-E90 VanDerWaalsContact C-N 3.33Å; E88-E90 PolarHBondContact O-N 3.28Å; E90-L93 PolarHBondContact O-N 2.69Å; E90-A94 WeakPolarHBondContact O-CB 3.45Å; E90-A94 PolarHBondContact O-N 3.05Å
91M96.5Very high87.9Confident111 Ų111121.8 Ų121.855%0.54758%0.583SS.*Hα-helixtrans-64.8-46.7174.8-179.2174.862.300112.2E87 E88 L93 A94 L95E87-M91 VanDerWaalsContact O-CB 3.29Å; E87-M91 WeakPolarHBondContact O-CB 3.48Å; E87-M91 PolarHBondContact O-N 3.25Å; E88-M91 PolarHBondContact O-N 2.83Å; M91-L93 VanDerWaalsContact C-N 3.29Å; M91-L93 PolarHBondContact O-N 3.19Å; M91-A94 WeakPolarHBondContact O-CB 3.42Å; M91-A94 PolarHBondContact O-N 2.68Å; M91-A94 VanDerWaalsContact O-N 3.16Å; M91-L95 HydrophobicContact CG-CD1 4.26Å; M91-L95 WeakPolarHBondContact O-CG 3.42Å; M91-L95 PolarHBondContact O-N 2.79Å
92D96.9Very high90.1Very high101 Ų101114.6 Ų114.654%0.5457%0.568SS.*Hα-helixtrans-60.5-39.4175.8-101.20.8000111.5E88 L95 Q96E88-D92 WeakPolarHBondContact O-CB 3.19Å; E88-D92 PolarHBondContact O-N 3.01Å; D92-L95 PolarHBondContact O-N 3.15Å; D92-Q96 WeakPolarHBondContact O-CB 3.45Å; D92-Q96 PolarHBondContact O-N 2.92Å
93L96.6Very high92.1Very high74 Ų74108.4 Ų108.439%0.38756%0.556SS.*Hα-helixtrans-65.8-40.7175-177.661.9000111.8M85 E89 E90 M91 Q96 L97M85-L93 HydrophobicContact CE-CD2 3.87Å; E89-L93 WeakPolarHBondContact O-CB 3.43Å; E89-L93 PolarHBondContact O-N 2.82Å; E90-L93 PolarHBondContact O-N 2.69Å; M91-L93 VanDerWaalsContact C-N 3.29Å; M91-L93 PolarHBondContact O-N 3.19Å; L93-Q96 PolarHBondContact O-N 3.44Å; L93-L97 HydrophobicContact CD1-CD1 4.34Å; L93-L97 HydrophobicContact CD1-CG 4.33Å; L93-L97 HydrophobicContact CG-CD1 4.12Å; L93-L97 WeakPolarHBondContact O-CB 3.5Å; L93-L97 VanDerWaalsContact O-CG 3.28Å; L93-L97 WeakPolarHBondContact O-CG 3.46Å; L93-L97 PolarHBondContact O-N 3.15Å
94A96.5Very high93.6Very high58 Ų58105.7 Ų105.748%0.47955%0.549SS..Hα-helixtrans-63.4-43.7175.400000111.9E90 M91 L97 S98E90-A94 WeakPolarHBondContact O-CB 3.45Å; E90-A94 PolarHBondContact O-N 3.05Å; M91-A94 WeakPolarHBondContact O-CB 3.42Å; M91-A94 PolarHBondContact O-N 2.68Å; M91-A94 VanDerWaalsContact O-N 3.16Å; A94-L97 PolarHBondContact O-N 2.86Å; A94-S98 VanDerWaalsContact O-CB 3.32Å; A94-S98 WeakPolarHBondContact O-CB 3.37Å; A94-S98 PolarHBondContact O-N 3.36Å
95L97.7Very high94.8Very high108 Ų108100.1 Ų100.157%0.56553%0.527SS*.Hα-helixtrans-63.1-40.4174-70172.3000111.9M91 D92 K99M91-L95 HydrophobicContact CG-CD1 4.26Å; M91-L95 WeakPolarHBondContact O-CG 3.42Å; M91-L95 PolarHBondContact O-N 2.79Å; D92-L95 PolarHBondContact O-N 3.15Å; L95-K99 VanDerWaalsContact O-CB 3.29Å; L95-K99 WeakPolarHBondContact O-CB 3.4Å; L95-K99 PolarHBondContact O-N 3.49Å
96Q97.4Very high96Very high126 Ų12699.1 Ų99.159%0.58953%0.532SS*.Hα-helixtrans-65-42.3175.7-175.5176.2-2.500112.1D92 L93 K99 Q100D92-Q96 WeakPolarHBondContact O-CB 3.45Å; D92-Q96 PolarHBondContact O-N 2.92Å; L93-Q96 PolarHBondContact O-N 3.44Å; Q96-K99 PolarHBondContact O-N 2.95Å; Q96-Q100 WeakPolarHBondContact O-CB 3.3Å; Q96-Q100 PolarHBondContact O-N 3.12Å
97L97.4Very high96.3Very high95 Ų95100.8 Ų100.850%0.49754%0.537SS..Hα-helixtrans-67.9-43.8177.5-72.3171.9000111.7L93 A94 K99 Q100 E101L93-L97 HydrophobicContact CD1-CD1 4.34Å; L93-L97 HydrophobicContact CD1-CG 4.33Å; L93-L97 HydrophobicContact CG-CD1 4.12Å; L93-L97 WeakPolarHBondContact O-CB 3.5Å; L93-L97 VanDerWaalsContact O-CG 3.28Å; L93-L97 WeakPolarHBondContact O-CG 3.46Å; L93-L97 PolarHBondContact O-N 3.15Å; A94-L97 PolarHBondContact O-N 2.86Å; L97-K99 VanDerWaalsContact C-N 3.35Å; L97-K99 PolarHBondContact O-N 3.06Å; L97-Q100 CarbonylContact O-C 3.57Å; L97-Q100 WeakPolarHBondContact O-CB 3.39Å; L97-Q100 PolarHBondContact O-N 3.32Å; L97-Q100 VanDerWaalsContact O-N 3.12Å; L97-E101 PolarHBondContact O-N 3.34Å
98S97.1Very high96.6Very high76 Ų7699.6 Ų99.653%0.53153%0.525SS..Hα-helixtrans-57.3-46.1173.2174.10000111.8A94 Q100 E101 A102A94-S98 VanDerWaalsContact O-CB 3.32Å; A94-S98 WeakPolarHBondContact O-CB 3.37Å; A94-S98 PolarHBondContact O-N 3.36Å; S98-Q100 VanDerWaalsContact C-N 3.32Å; S98-Q100 PolarHBondContact O-N 2.9Å; S98-E101 PolarHBondContact O-N 2.86Å; S98-A102 WeakPolarHBondContact O-CB 3.49Å; S98-A102 PolarHBondContact O-N 3.24Å
99K97.1Very high96.8Very high165 Ų16597.4 Ų97.472%0.71752%0.515SS*.Hα-helixtrans-62.9-36.1174.4-175.6173.3-176.9171.60113L95 Q96 L97 S103L95-K99 VanDerWaalsContact O-CB 3.29Å; L95-K99 WeakPolarHBondContact O-CB 3.4Å; L95-K99 PolarHBondContact O-N 3.49Å; Q96-K99 PolarHBondContact O-N 2.95Å; L97-K99 VanDerWaalsContact C-N 3.35Å; L97-K99 PolarHBondContact O-N 3.06Å; K99-S103 WeakPolarHBondContact O-CB 3.48Å; K99-S103 PolarHBondContact O-N 3.11Å; K99-S103 VanDerWaalsContact O-N 3.12Å
100Q96.9Very high97Very high112 Ų11298.9 Ų98.952%0.52352%0.522SS..Hα-helixtrans-69.3-39.3174.3178.8172.9-14.900111.5Q96 L97 S98 S103 N104Q96-Q100 WeakPolarHBondContact O-CB 3.3Å; Q96-Q100 PolarHBondContact O-N 3.12Å; L97-Q100 CarbonylContact O-C 3.57Å; L97-Q100 WeakPolarHBondContact O-CB 3.39Å; L97-Q100 PolarHBondContact O-N 3.32Å; L97-Q100 VanDerWaalsContact O-N 3.12Å; S98-Q100 VanDerWaalsContact C-N 3.32Å; S98-Q100 PolarHBondContact O-N 2.9Å; Q100-S103 PolarHBondContact O-N 3.48Å; Q100-N104 VanDerWaalsContact O-CG 3.32Å; Q100-N104 PolarHBondContact O-N 2.88Å; Q100-N104 PolarHBondContact O-ND2 3.16Å
101E97Very high97.1Very high133 Ų13398.1 Ų98.162%0.62152%0.518SS*.Hα-helixtrans-64.6-49.7175.3-176.3163.4-169.500111.5L97 S98 S103 N104 T105L97-E101 PolarHBondContact O-N 3.34Å; S98-E101 PolarHBondContact O-N 2.86Å; E101-S103 VanDerWaalsContact C-N 3.26Å; E101-S103 PolarHBondContact O-N 2.84Å; E101-N104 PolarHBondContact O-N 3.46Å; E101-T105 HydrophobicContact CG-CG2 4.37Å; E101-T105 PolarHBondContact O-N 2.76Å; E101-T105 PolarHBondContact O-OG1 3.36Å
102A96.7Very high97.1Very high55 Ų5596.5 Ų96.546%0.45551%0.51SS..Hα-helixtrans-56.9-37.4175.600000113.1S98 T105 A106S98-A102 WeakPolarHBondContact O-CB 3.49Å; S98-A102 PolarHBondContact O-N 3.24Å; A102-T105 WeakPolarHBondContact CA-OG1 3.47Å; A102-T105 PolarHBondContact O-OG1 3.1Å; A102-T105 VanDerWaalsContact O-OG1 3.11Å; A102-A106 VanDerWaalsContact O-CB 3.29Å; A102-A106 WeakPolarHBondContact O-CB 3.38Å; A102-A106 PolarHBondContact O-N 3.02Å; A102-A106 VanDerWaalsContact O-N 3.07Å
103S97.4Very high97.1Very high79 Ų7995.4 Ų95.455%0.55250%0.504SS*.Hα-helixtrans-67.4-42.3173.9-1730000112.3K99 Q100 E101 L107K99-S103 WeakPolarHBondContact O-CB 3.48Å; K99-S103 PolarHBondContact O-N 3.11Å; K99-S103 VanDerWaalsContact O-N 3.12Å; Q100-S103 PolarHBondContact O-N 3.48Å; E101-S103 VanDerWaalsContact C-N 3.26Å; E101-S103 PolarHBondContact O-N 2.84Å; S103-L107 WeakPolarHBondContact O-CB 3.07Å; S103-L107 PolarHBondContact O-N 3.27Å
104N97.4Very high97.2Very high87 Ų8795.9 Ų95.947%0.46550%0.504SS..Hα-helixtrans-69.5-38.1178.1-74.6-48.4000112.7Q100 E101 L107 R108Q100-N104 VanDerWaalsContact O-CG 3.32Å; Q100-N104 PolarHBondContact O-N 2.88Å; Q100-N104 PolarHBondContact O-ND2 3.16Å; E101-N104 PolarHBondContact O-N 3.46Å; N104-L107 PolarHBondContact O-N 3.26Å; N104-R108 WeakPolarHBondContact O-CB 3.45Å; N104-R108 PolarHBondContact O-N 2.8Å
105T95.8Very high97.2Very high65 Ų6597.3 Ų97.340%0.39950%0.504SS..Hα-helixtrans-69.4-41.1176.453.60000111.3E101 A102 R108 Q109E101-T105 HydrophobicContact CG-CG2 4.37Å; E101-T105 PolarHBondContact O-N 2.76Å; E101-T105 PolarHBondContact O-OG1 3.36Å; A102-T105 WeakPolarHBondContact CA-OG1 3.47Å; A102-T105 PolarHBondContact O-OG1 3.1Å; A102-T105 VanDerWaalsContact O-OG1 3.11Å; T105-R108 PolarHBondContact O-N 2.98Å; T105-Q109 WeakPolarHBondContact O-CB 3.34Å; T105-Q109 PolarHBondContact O-N 3.1Å
106A96.9Very high97.2Very high60 Ų6096.1 Ų96.150%0.49650%0.501SS..Hα-helixtrans-60.5-44172.300000112.5A102 R108 Q109 Q110A102-A106 VanDerWaalsContact O-CB 3.29Å; A102-A106 WeakPolarHBondContact O-CB 3.38Å; A102-A106 PolarHBondContact O-N 3.02Å; A102-A106 VanDerWaalsContact O-N 3.07Å; A106-R108 VanDerWaalsContact C-N 3.33Å; A106-R108 PolarHBondContact O-N 2.98Å; A106-Q109 PolarHBondContact O-N 2.84Å; A106-Q110 PolarHBondContact O-N 2.88Å
107L97.4Very high97.1Very high109 Ų10995.9 Ų95.957%0.57150%0.501SS*.Hα-helixtrans-63.5-38.3174.8179.562.2000112.2S103 N104 Q111S103-L107 WeakPolarHBondContact O-CB 3.07Å; S103-L107 PolarHBondContact O-N 3.27Å; N104-L107 PolarHBondContact O-N 3.26Å; L107-Q111 WeakPolarHBondContact O-CB 3.28Å; L107-Q111 PolarHBondContact O-N 3.03Å
108R97.3Very high97.1Very high151 Ų15195.9 Ų95.957%0.5750%0.497SS*.Hα-helixtrans-66-44175.8-150.1-168.881.1-144.5-5.8111N104 T105 A106 Q111 E112N104-R108 WeakPolarHBondContact O-CB 3.45Å; N104-R108 PolarHBondContact O-N 2.8Å; T105-R108 PolarHBondContact O-N 2.98Å; A106-R108 VanDerWaalsContact C-N 3.33Å; A106-R108 PolarHBondContact O-N 2.98Å; R108-Q111 PolarHBondContact O-N 2.79Å; R108-E112 IonicContact CZ-OE1 3.05Å; R108-E112 IonicContact NE-OE1 2.92Å; R108-E112 PolarHBondContact NE-OE1 3.05Å; R108-E112 IonicContact NH2-OE1 2.68Å; R108-E112 PolarHBondContact NH2-OE1 2.68Å; R108-E112 WeakPolarHBondContact O-CG 3.25Å; R108-E112 PolarHBondContact O-N 3.39Å
109Q97.4Very high97.1Very high90 Ų9095 Ų9542%0.42149%0.494SS..Hα-helixtrans-61.5-47.9176.3-171.262.656.800111.4T105 A106 Q111 E112 D113T105-Q109 WeakPolarHBondContact O-CB 3.34Å; T105-Q109 PolarHBondContact O-N 3.1Å; A106-Q109 PolarHBondContact O-N 2.84Å; Q109-Q111 VanDerWaalsContact C-N 3.26Å; Q109-Q111 PolarHBondContact O-N 2.91Å; Q109-E112 WeakPolarHBondContact O-CB 3.35Å; Q109-E112 PolarHBondContact O-N 2.82Å; Q109-D113 PolarHBondContact NE2-OD1 3.2Å; Q109-D113 PolarHBondContact O-N 3.06Å
110Q97.4Very high97Very high106 Ų10691.7 Ų91.750%0.49548%0.483SS..Hα-helixtrans-55.9-43.1174.4-176.9-172.9-21.700111.2A106 D113 E114A106-Q110 PolarHBondContact O-N 2.88Å; Q110-D113 PolarHBondContact O-N 2.86Å; Q110-E114 PolarHBondContact NE2-OE1 2.92Å; Q110-E114 WeakPolarHBondContact O-CB 3.35Å; Q110-E114 WeakPolarHBondContact O-CG 3.22Å; Q110-E114 PolarHBondContact O-N 3.04Å
111Q97.6Very high96.8Very high99 Ų9992.4 Ų92.446%0.46349%0.487SS..Hα-helixtrans-67.8-35178.1-176.862.2105.800112.5L107 R108 Q109 N115L107-Q111 WeakPolarHBondContact O-CB 3.28Å; L107-Q111 PolarHBondContact O-N 3.03Å; R108-Q111 PolarHBondContact O-N 2.79Å; Q109-Q111 VanDerWaalsContact C-N 3.26Å; Q109-Q111 PolarHBondContact O-N 2.91Å; Q111-N115 PolarHBondContact NE2-ND2 3.1Å; Q111-N115 WeakPolarHBondContact O-CB 3.22Å; Q111-N115 PolarHBondContact O-N 3.21Å; Q111-N115 VanDerWaalsContact O-N 3.1Å; Q111-N115 PolarHBondContact O-ND2 3.15Å
112E97.3Very high96.5Very high78 Ų7890.8 Ų90.836%0.36448%0.479SS..Hα-helixtrans-65.3-47172.4-73.7172.4-135.500110.9R108 Q109 E114 N115 V116R108-E112 IonicContact CZ-OE1 3.05Å; R108-E112 IonicContact NE-OE1 2.92Å; R108-E112 PolarHBondContact NE-OE1 3.05Å; R108-E112 IonicContact NH2-OE1 2.68Å; R108-E112 PolarHBondContact NH2-OE1 2.68Å; R108-E112 WeakPolarHBondContact O-CG 3.25Å; R108-E112 PolarHBondContact O-N 3.39Å; Q109-E112 WeakPolarHBondContact O-CB 3.35Å; Q109-E112 PolarHBondContact O-N 2.82Å; E112-E114 PolarHBondContact O-N 2.82Å; E112-N115 CarbonylContact O-C 3.57Å; E112-N115 WeakPolarHBondContact O-CB 3.19Å; E112-N115 PolarHBondContact O-N 3.39Å; E112-N115 VanDerWaalsContact O-N 3.11Å; E112-V116 WeakPolarHBondContact O-CG2 3.49Å; E112-V116 PolarHBondContact O-N 3.35Å
113D97.3Very high96.2Very high77 Ų7791.1 Ų91.141%0.41248%0.478SS..Hα-helixtrans-62.6-42.6178.1-62.6-16.4000112.1Q109 Q110 N115 V116 M117Q109-D113 PolarHBondContact NE2-OD1 3.2Å; Q109-D113 PolarHBondContact O-N 3.06Å; Q110-D113 PolarHBondContact O-N 2.86Å; D113-N115 VanDerWaalsContact C-N 3.32Å; D113-N115 PolarHBondContact O-N 3.28Å; D113-V116 PolarHBondContact O-N 2.86Å; D113-M117 WeakPolarHBondContact O-CB 3.4Å; D113-M117 WeakPolarHBondContact O-CG 3.4Å; D113-M117 PolarHBondContact O-N 3.21Å
114E97.5Very high95.6Very high85 Ų8593.3 Ų93.340%0.39748%0.481SS..Hα-helixtrans-61.5-38.8172.6-77.9-179.9-159.900112.1Q110 E112 M117 K118Q110-E114 PolarHBondContact NE2-OE1 2.92Å; Q110-E114 WeakPolarHBondContact O-CB 3.35Å; Q110-E114 WeakPolarHBondContact O-CG 3.22Å; Q110-E114 PolarHBondContact O-N 3.04Å; E112-E114 PolarHBondContact O-N 2.82Å; E114-M117 HydrophobicContact CG-CE 4.22Å; E114-K118 WeakPolarHBondContact O-CB 3.19Å; E114-K118 PolarHBondContact O-N 3.24Å
115N97.1Very high95Very high88 Ų8892.6 Ų92.647%0.47148%0.479SS..Hα-helixtrans-69-36.5174.8-80.1-57000112Q111 E112 D113 K118 A119Q111-N115 PolarHBondContact NE2-ND2 3.1Å; Q111-N115 WeakPolarHBondContact O-CB 3.22Å; Q111-N115 PolarHBondContact O-N 3.21Å; Q111-N115 VanDerWaalsContact O-N 3.1Å; Q111-N115 PolarHBondContact O-ND2 3.15Å; E112-N115 CarbonylContact O-C 3.57Å; E112-N115 WeakPolarHBondContact O-CB 3.19Å; E112-N115 PolarHBondContact O-N 3.39Å; E112-N115 VanDerWaalsContact O-N 3.11Å; D113-N115 VanDerWaalsContact C-N 3.32Å; D113-N115 PolarHBondContact O-N 3.28Å; N115-K118 PolarHBondContact O-N 2.81Å; N115-A119 VanDerWaalsContact O-CB 3.29Å; N115-A119 WeakPolarHBondContact O-CB 3.2Å; N115-A119 PolarHBondContact O-N 3.46Å
116V97.5Very high93.9Very high83 Ų8395.7 Ų95.750%0.50349%0.492SS..Hα-helixtrans-66-49.3174.2169.70000110.8E112 D113 K118 A119 I120E112-V116 WeakPolarHBondContact O-CG2 3.49Å; E112-V116 PolarHBondContact O-N 3.35Å; D113-V116 PolarHBondContact O-N 2.86Å; V116-K118 VanDerWaalsContact C-N 3.29Å; V116-K118 PolarHBondContact O-N 3.35Å; V116-A119 PolarHBondContact O-N 3.44Å; V116-A119 VanDerWaalsContact O-N 3.15Å; V116-I120 HydrophobicContact CG1-CD1 3.85Å; V116-I120 WeakPolarHBondContact O-CG1 3.25Å; V116-I120 PolarHBondContact O-N 2.86Å
117M95.9Very high92.3Very high121 Ų121100.3 Ų100.360%0.59650%0.504SS*.Hα-helixtrans-57-43.4175-74.2-171.7-7500111.6D113 E114 I120 Q121D113-M117 WeakPolarHBondContact O-CB 3.4Å; D113-M117 WeakPolarHBondContact O-CG 3.4Å; D113-M117 PolarHBondContact O-N 3.21Å; E114-M117 HydrophobicContact CG-CE 4.22Å; M117-I120 PolarHBondContact O-N 3.23Å; M117-Q121 WeakPolarHBondContact O-CB 3.41Å; M117-Q121 PolarHBondContact O-N 3.48Å
118K96.9Very high90.5Very high95 Ų95100.3 Ų100.341%0.41351%0.508SS..Hα-helixtrans-65.2-40.5175.9-176.6-179.7173-67.30112.6E114 N115 V116 Q121 E122E114-K118 WeakPolarHBondContact O-CB 3.19Å; E114-K118 PolarHBondContact O-N 3.24Å; N115-K118 PolarHBondContact O-N 2.81Å; V116-K118 VanDerWaalsContact C-N 3.29Å; V116-K118 PolarHBondContact O-N 3.35Å; K118-Q121 PolarHBondContact O-N 2.9Å; K118-E122 WeakPolarHBondContact CE-OE1 3.47Å; K118-E122 IonicContact NZ-OE1 3.16Å; K118-E122 PolarHBondContact NZ-OE1 3.33Å; K118-E122 IonicContact NZ-OE2 2.68Å; K118-E122 PolarHBondContact NZ-OE2 3.03Å; K118-E122 WeakPolarHBondContact O-CB 3.41Å; K118-E122 WeakPolarHBondContact O-CG 3.28Å; K118-E122 PolarHBondContact O-N 3.43Å
119A96.6Very high88.2Confident56 Ų5699.6 Ų99.646%0.46351%0.511SS..Hα-helixtrans-66.5-38.5177.100000112.2N115 V116 E122 S123N115-A119 VanDerWaalsContact O-CB 3.29Å; N115-A119 WeakPolarHBondContact O-CB 3.2Å; N115-A119 PolarHBondContact O-N 3.46Å; V116-A119 PolarHBondContact O-N 3.44Å; V116-A119 VanDerWaalsContact O-N 3.15Å; A119-E122 PolarHBondContact O-N 3.48Å; A119-S123 VanDerWaalsContact O-CB 3.31Å; A119-S123 WeakPolarHBondContact O-CB 3.33Å; A119-S123 PolarHBondContact O-N 2.85Å
120I95.2Very high86Confident97 Ų97100.6 Ų100.650%0.49753%0.525SS..Hα-helixtrans-62.7-46.9172.2-67.1164.8000110V116 M117 E122 S123 M124V116-I120 HydrophobicContact CG1-CD1 3.85Å; V116-I120 WeakPolarHBondContact O-CG1 3.25Å; V116-I120 PolarHBondContact O-N 2.86Å; M117-I120 PolarHBondContact O-N 3.23Å; I120-E122 PolarHBondContact O-N 3.36Å; I120-S123 WeakPolarHBondContact O-CB 3.44Å; I120-S123 PolarHBondContact O-N 3.19Å; I120-M124 HydrophobicContact CG2-SD 4.37Å; I120-M124 WeakPolarHBondContact O-CG 3.29Å; I120-M124 PolarHBondContact O-N 3.23Å
121Q92.4Very high83.1Confident127 Ų12798.3 Ų98.359%0.59353%0.531SS*.Hα-helixtrans-59.8-46.5176.9-171.1-176.819.800112M117 K118 S123 M124 V125M117-Q121 WeakPolarHBondContact O-CB 3.41Å; M117-Q121 PolarHBondContact O-N 3.48Å; K118-Q121 PolarHBondContact O-N 2.9Å; Q121-S123 PolarHBondContact O-N 2.97Å; Q121-M124 PolarHBondContact O-N 2.93Å; Q121-V125 WeakPolarHBondContact O-CB 3.38Å; Q121-V125 VanDerWaalsContact O-CG2 3.3Å; Q121-V125 WeakPolarHBondContact O-CG2 3.5Å; Q121-V125 PolarHBondContact O-N 3.47Å
122E91.1Very high80.7Confident98 Ų98100 Ų10046%0.45855%0.551SS.*Hα-helixtrans-65.3-37.7178-75.2177.3158.100111.8K118 A119 I120 V125 I126K118-E122 WeakPolarHBondContact CE-OE1 3.47Å; K118-E122 IonicContact NZ-OE1 3.16Å; K118-E122 PolarHBondContact NZ-OE1 3.33Å; K118-E122 IonicContact NZ-OE2 2.68Å; K118-E122 PolarHBondContact NZ-OE2 3.03Å; K118-E122 WeakPolarHBondContact O-CB 3.41Å; K118-E122 WeakPolarHBondContact O-CG 3.28Å; K118-E122 PolarHBondContact O-N 3.43Å; A119-E122 PolarHBondContact O-N 3.48Å; I120-E122 PolarHBondContact O-N 3.36Å; E122-V125 PolarHBondContact O-N 3.07Å; E122-I126 WeakPolarHBondContact O-CB 3.45Å; E122-I126 WeakPolarHBondContact O-CD1 3.44Å; E122-I126 WeakPolarHBondContact O-CG1 3.25Å; E122-I126 PolarHBondContact O-N 3Å
123S91.8Very high78.1Confident62 Ų62106 Ų10643%0.43458%0.575SS.*Hα-helixtrans-60.5-45.6172.9-1770000112.7A119 I120 Q121 I126 Q127A119-S123 VanDerWaalsContact O-CB 3.31Å; A119-S123 WeakPolarHBondContact O-CB 3.33Å; A119-S123 PolarHBondContact O-N 2.85Å; I120-S123 WeakPolarHBondContact O-CB 3.44Å; I120-S123 PolarHBondContact O-N 3.19Å; Q121-S123 PolarHBondContact O-N 2.97Å; S123-I126 PolarHBondContact O-N 3.34Å; S123-Q127 PolarHBondContact O-N 3.31Å
124M83.8Confident75.2Confident125 Ų125107.4 Ų107.462%0.61659%0.591SS**Hα-helixtrans-64.9-39.3175.7-69.2-17970.800112.5I120 Q121 Q127 T128I120-M124 HydrophobicContact CG2-SD 4.37Å; I120-M124 WeakPolarHBondContact O-CG 3.29Å; I120-M124 PolarHBondContact O-N 3.23Å; Q121-M124 PolarHBondContact O-N 2.93Å; M124-Q127 PolarHBondContact O-N 3.47Å; M124-T128 PolarHBondContact O-N 3.23Å; M124-T128 PolarHBondContact O-OG1 2.89Å
125V84.7Confident72.7Confident72 Ų72109.3 Ų109.344%0.43661%0.61SS.*Hα-helixtrans-68.2-36.8178169.80000111.7Q121 E122 Q127 T128 Q129Q121-V125 WeakPolarHBondContact O-CB 3.38Å; Q121-V125 VanDerWaalsContact O-CG2 3.3Å; Q121-V125 WeakPolarHBondContact O-CG2 3.5Å; Q121-V125 PolarHBondContact O-N 3.47Å; E122-V125 PolarHBondContact O-N 3.07Å; V125-Q127 VanDerWaalsContact C-N 3.31Å; V125-Q127 PolarHBondContact O-N 3.16Å; V125-T128 WeakPolarHBondContact CA-OG1 3.44Å; V125-T128 PolarHBondContact O-N 2.97Å; V125-T128 PolarHBondContact O-OG1 3.17Å; V125-Q129 PolarHBondContact O-N 3.36Å
126I73.6Confident69.9Low131 Ų131112.1 Ų112.167%0.67263%0.626SS**Hα-helixtrans-62.9-39174.6-71.4162.4000111E122 S123 T128E122-I126 WeakPolarHBondContact O-CB 3.45Å; E122-I126 WeakPolarHBondContact O-CD1 3.44Å; E122-I126 WeakPolarHBondContact O-CG1 3.25Å; E122-I126 PolarHBondContact O-N 3Å; S123-I126 PolarHBondContact O-N 3.34Å; I126-T128 VanDerWaalsContact C-N 3.34Å; I126-T128 PolarHBondContact O-N 3.5Å
127Q62.8Low67.3Low157 Ų157117.9 Ų117.973%0.73464%0.644SS**Hα-helixtrans-74.2-18.7177.2-70-173.967.400114.4S123 M124 V125S123-Q127 PolarHBondContact O-N 3.31Å; M124-Q127 PolarHBondContact O-N 3.47Å; V125-Q127 VanDerWaalsContact C-N 3.31Å; V125-Q127 PolarHBondContact O-N 3.16Å
128T58.8Low64.5Low108 Ų108120.2 Ų120.266%0.66365%0.653SS**THydrogen-bonded Turntrans-98.13-179.4380000114.7M124 V125 I126 P130M124-T128 PolarHBondContact O-N 3.23Å; M124-T128 PolarHBondContact O-OG1 2.89Å; V125-T128 WeakPolarHBondContact CA-OG1 3.44Å; V125-T128 PolarHBondContact O-N 2.97Å; V125-T128 PolarHBondContact O-OG1 3.17Å; I126-T128 VanDerWaalsContact C-N 3.34Å; I126-T128 PolarHBondContact O-N 3.5Å; T128-P130 VanDerWaalsContact O-CD 3.27Å; T128-P130 WeakPolarHBondContact O-CD 3.5Å
129Q49Very low61.6Low137 Ų137122.1 Ų122.164%0.6467%0.667SS**  trans-82.4112.3172.3-73.3-67.9-15.100111.7V125 G131V125-Q129 PolarHBondContact O-N 3.36Å; Q129-G131 PolarHBondContact O-N 3.1Å
130P52.6Low58.8Low110 Ų110126 Ų12671%0.71468%0.679SS**PPolyproline II helixtrans-68.1124.3172.128.9-33.4000109.8T128T128-P130 VanDerWaalsContact O-CD 3.27Å; T128-P130 WeakPolarHBondContact O-CD 3.5Å
131G36.7Very low55.9Low59 Ų59128.6 Ų128.661%0.60869%0.694SS**PPolyproline II helixtrans-55.6147.4-17700000113.6Q129 K133Q129-G131 PolarHBondContact O-N 3.1Å; G131-K133 PolarHBondContact O-N 3.11Å
132P47.1Very low53Low135 Ų135126.3 Ų126.388%0.87771%0.705SS**PPolyproline II helixtrans-62120.1-177.125.4-34000111S134P132-S134 PolarHBondContact O-N 3.19Å
133K42.3Very low50.4Low204 Ų204128.4 Ų128.489%0.88772%0.724SS**PPolyproline II helixtrans-62.9118.7-172.8-59.2179.6-178.5-177.90111.7G131G131-K133 PolarHBondContact O-N 3.11Å
134S37Very low48Very low105 Ų105131 Ų13173%0.73474%0.739SS**PPolyproline II helixtrans-74.1144.3164.549.40000110.7P132P132-S134 PolarHBondContact O-N 3.19Å
135P44Very low45.6Very low125 Ų125134.1 Ų134.181%0.81275%0.752SS**PPolyproline II helixtrans-78.7128.1-178.730.6-33.8000112.3
136D37.3Very low43.2Very low147 Ų147136.3 Ų136.379%0.78677%0.771SS**PPolyproline II helixtrans-62.3141.3175.4-75.1-63.3000113.8
137K43.8Very low41.5Very low204 Ų204137 Ų13789%0.88778%0.781SS**  trans-141.299.3152.4-73-162.6175.7-176.60111.4
138H37.4Very low40.2Very low170 Ų170133.1 Ų133.179%0.78778%0.783SS**  trans-52.5134.2161.5-100.3-115.9000111.6
139L36.2Very low39Very low136 Ų136132.9 Ų132.971%0.71279%0.786SS**  170141.497.2-137.974.5000113
140L37.7Very low38.4Very low136 Ų136137 Ų13771%0.71280%0.796SS**  trans68.7128.3160-57.8-176.1000122.6
141D32.9Very low37.6Very low152 Ų152143 Ų14381%0.81380%0.804SS**  trans56.1131.3138.7-53.8-17.7000122.9
142G32.6Very low37.7Very low79 Ų79149.7 Ų149.781%0.81482%0.817SS**  trans127.581151.200000118.1
143V36.4Very low37Very low142 Ų142150.5 Ų150.586%0.86181%0.813SS**  trans-62.7139.6154.8165.20000108.1
144P40.9Very low36.5Very low116 Ų116146.4 Ų146.475%0.75381%0.81SS**  cis-137.717847.528.6-4.5000118.7
145Q34.1Very low36.1Very low191 Ų191151.6 Ų151.689%0.89382%0.815SS**  trans-55.4153.4175.6-63.2156-33.100114.1
146S34Very low35.6Very low118 Ų118151.3 Ų151.383%0.82582%0.816SS**  trans-135.6105.8167.3-179.20000111.4
147T37.3Very low35.2Very low145 Ų145152.5 Ų152.589%0.8982%0.823SS**  trans-143.4139.6155.152.60000108.2
148G35.5Very low34.7Very low76 Ų76145.4 Ų145.478%0.78481%0.807SS**  cis174.9107.6-12.100000110.6
149S33.1Very low34.5Very low104 Ų104144.7 Ų144.773%0.72780%0.804SS**  trans-130.1110-178.9-170.60000113.2
150R37.9Very low34.3Very low222 Ų222148 Ų14884%0.83881%0.807SS**  trans35.8118.2154.5-58.5179.9175.7-143.4-1.1117.8
151R36.3Very low34.1Very low236 Ų236149.3 Ų149.389%0.89181%0.812SS**  -168.1160106.1-108.8154.4-72.9-170-0.8116.2
152K38Very low34.4Very low200 Ų200147.7 Ų147.787%0.8781%0.81SS**  trans-48.2147.4179.1-55.2175.7175.5-174.80114.1
153L32.7Very low34.4Very low153 Ų153152.6 Ų152.680%0.80181%0.811SS**  trans-89.9150.9159.7-73.3168.5000111
154S30.5Very low34.1Very low117 Ų117154.6 Ų154.682%0.81881%0.811SS**  trans-148.9127.116954.60000108.5
155Y29.3Very low33.6Very low214 Ų214153.8 Ų153.884%0.83980%0.804SS**  trans-103.8133177.8-86.6-89.1000111.2
156S32.8Very low33.5Very low120 Ų120151.4 Ų151.484%0.83980%0.797SS**  trans-90.9162.4169.437.30000111.2
157N29.7Very low33.4Very low172 Ų172151.4 Ų151.492%0.9280%0.797SS**  trans-132.9147.6-176.2179.727.2000110.3
158G32.9Very low32.9Very low55 Ų55148.4 Ų148.457%0.56780%0.796SS**  trans143.9110.8164.100000116.8
159E33.5Very low32.8Very low155 Ų155149.4 Ų149.472%0.72480%0.796SS**  trans58.6159.5139.6-44.7-152.992.500120.1
160R32.1Very low32.8Very low204 Ų204151.7 Ų151.777%0.7781%0.806SS**  cis-150.6179.7-6.7-139.7177.8-105.5175.43.2110.7
161M34.5Very low32.5Very low164 Ų164144.4 Ų144.481%0.80880%0.799SS**  trans-71.2167.5177.1-64.8-79.4-71.600114.7
162P39.3Very low32.9Very low119 Ų119139.9 Ų139.977%0.77380%0.8SS**  trans-127.2155.9135.437.9-29.7000114.2
163E31.6Very low32.6Very low182 Ų182133.9 Ų133.985%0.8580%0.796SS**  trans-107.1159.2161.2-64.1-177.3108.300109.6
164E31Very low32.6Very low183 Ų183134.3 Ų134.386%0.85580%0.799SS**  172154.8120-99-148.6117.200116.2
165V30.7Very low33Very low100 Ų100136.9 Ų136.961%0.60680%0.798SS**  trans69.5102.5146.51730000122.1
166N31.2Very low33.4Very low140 Ų140133.3 Ų133.375%0.74979%0.792SS**  31.4140.4128.7-52.6-52.7000123.3
167S31.9Very low33.7Very low118 Ų118134.7 Ų134.783%0.82579%0.788SS**  172.6121.7104.9-75.20000116.4
168G27.7Very low34Very low83 Ų83132.8 Ų132.886%0.85678%0.783SS**  trans68.8167.415500000119.5
169A31.5Very low34Very low96 Ų96141.6 Ų141.679%0.79380%0.799SS**  cis-164.1144.7-19.900000111.8
170V34.7Very low34.2Very low153 Ų153146.4 Ų146.493%0.92781%0.81SS**  trans40.1123.8154.7-174.10000121.1
171G31.1Very low34.7Very low68 Ų68146.2 Ų146.270%0.70182%0.815SS**  trans151.6127.615300000115.6
172P45.1Very low35Very low141 Ų141147.9 Ų147.992%0.91682%0.818SS**  trans-100.6161.7179.338.6-34000114.2
173G30.3Very low35.1Very low75 Ų75150 Ų15077%0.77382%0.822SS**  trans173.1135.5170.500000112.3
174D33.1Very low35.6Very low161 Ų161152.2 Ų152.286%0.86182%0.822SS**  trans-87.2161.9-163.3-64-73.2000116.9
175E39.2Very low36.1Very low172 Ų172152.2 Ų152.280%0.80482%0.82SS**  trans89.1151.5135.9-101.1-170.5172.500125.5
176I37.8Very low36.4Very low138 Ų138156 Ų15671%0.70883%0.831SS**  trans64.987157.5-58.5156.8000119.6
177I39.8Very low36.6Very low150 Ų150154.2 Ų154.277%0.76984%0.835SS**  9.8113.2129.1-38.8176.5000117.7
178T34.4Very low36.6Very low131 Ų131151.9 Ų151.980%0.80483%0.83SS**  172122.9115.133.70000111.6
179R33.8Very low37Very low241 Ų241153.6 Ų153.691%0.90983%0.829SS**  trans-138.3102.8167.3-79.4-169.5173.5-179.4-1.4112.2K181R179-K181 PolarHBondContact O-N 2.84Å
180R38.6Very low37.7Very low255 Ų255154.5 Ų154.596%0.96283%0.826SS**  trans-62.2112.5167.5-66.8176.7176.5169.6-2.1109.3
181K40.6Very low37.6Very low200 Ų200155.5 Ų155.587%0.8783%0.826SS**  trans-88.7105.6173.7-79.7-173.9176.6177.80110.9R179 L183R179-K181 PolarHBondContact O-N 2.84Å; K181-L183 PolarHBondContact O-N 3.03Å
182K41Very low37.9Very low200 Ų200160.8 Ų160.887%0.8784%0.835SS**  trans-7993.5175.7-172.3175.9-173.3173.90109.9R184K182-R184 PolarHBondContact O-N 3.01Å
183L41.7Very low37.3Very low162 Ų162163.4 Ų163.485%0.84883%0.831SS**  trans-78.5104.4180-165.475.5000111K181K181-L183 PolarHBondContact O-N 3.03Å
184R42.4Very low37.7Very low229 Ų229167.4 Ų167.486%0.86483%0.832SS**  trans-83.5130.6158.7-90.4-171166.6-147.9-1.2109.3K182K182-R184 PolarHBondContact O-N 3.01Å
185K41.8Very low38.1Very low184 Ų184164.7 Ų164.780%0.882%0.823SS**  trans-153109.2147-103.2168.2-177.5-175.30106.4
186Q36.6Very low37.8Very low180 Ų180163.2 Ų163.284%0.84182%0.82SS**  75.487.989.2-73.8-74.324.500111
187A35Very low38Very low101 Ų101164.5 Ų164.584%0.83583%0.828SS**  trans-79.9139.215800000108.2
188G33.3Very low37.7Very low70 Ų70161.3 Ų161.372%0.72282%0.819SS**  trans171.462.4-170.300000111.1P190G188-P190 VanDerWaalsContact O-CD 3.32Å; G188-P190 WeakPolarHBondContact O-CD 3.42Å
189S36.2Very low37.7Very low119 Ų119164 Ų16483%0.83282%0.823SS**PPolyproline II helixtrans-67119.4-176.6-51.50000111.2L191S189-L191 PolarHBondContact O-N 3.27Å
190P45.1Very low37.5Very low114 Ų114158 Ų15874%0.7481%0.813SS**PPolyproline II helixtrans-74.1121.6166.6-8.926.8000108.5G188 M192G188-P190 VanDerWaalsContact O-CD 3.32Å; G188-P190 WeakPolarHBondContact O-CD 3.42Å; P190-M192 PolarHBondContact O-N 3.47Å
191L32Very low37.2Very low174 Ų174153.8 Ų153.891%0.91180%0.804SS**PPolyproline II helixtrans-56126.8169.9-88.4159.2000109.7S189 K193S189-L191 PolarHBondContact O-N 3.27Å; L191-K193 PolarHBondContact O-N 3.12Å
192M37.3Very low36.6Very low180 Ų180151.4 Ų151.489%0.88780%0.801SS**PPolyproline II helixtrans-69.1123.5175.2-82.4-66.9167.200109.9P190P190-M192 PolarHBondContact O-N 3.47Å
193K33.5Very low36.1Very low195 Ų195149 Ų14985%0.84880%0.803SS**PPolyproline II helixtrans-74.4124.3176.4-175.6178.3178.2-177.60109.1L191L191-K193 PolarHBondContact O-N 3.12Å
194M38.6Very low35.5Very low160 Ų160146.2 Ų146.279%0.78880%0.797SS**PPolyproline II helixtrans-54.7137.8175-73.8-63.9-70.300111.3D196M194-D196 PolarHBondContact O-N 2.89Å
195P41.8Very low34.9Very low103 Ų103139.3 Ų139.367%0.66978%0.784SS**PPolyproline II helixtrans-65.1123170.5-19.532.7000110.7
196D32.9Very low34.3Very low141 Ų141138 Ų13875%0.75478%0.78SS**PPolyproline II helixtrans-78.1121.6167.9-172.6-16.4000108.3M194 S198M194-D196 PolarHBondContact O-N 2.89Å; D196-S198 PolarHBondContact OD1-OG 2.89Å
197L42.2Very low33.8Very low165 Ų165136.5 Ų136.586%0.86478%0.778SS**  trans-110.576.5-176.6-70.8-179.2000110.9
198S32.9Very low33.3Very low84 Ų84137.5 Ų137.559%0.58778%0.779SS**  trans-140.5143.3165.760.70000111.3D196D196-S198 PolarHBondContact OD1-OG 2.89Å
199Q33.5Very low33.2Very low188 Ų188139.7 Ų139.788%0.87978%0.78SS**  trans69.5134.2-173.9-55.9-170.311.200115.3
200T29.5Very low32.6Very low114 Ų114139.3 Ų139.370%0.69978%0.778SS**  cis-140.5137.70.247.60000113.5
201Q32.7Very low31.6Very low167 Ų167141.3 Ų141.378%0.7878%0.781SS**  trans38.6113.9140.7-69.3179.6-33.700122.2
202N29.7Very low31.5Very low150 Ų150139.3 Ų139.380%0.80278%0.776SS**  51.7116.9118.3-56.50.9000121.1
203V30.3Very low30.9Very low150 Ų150139.1 Ų139.191%0.90977%0.772SS**  trans-133.6115.8141.4-1750000108.9
204S28.6Very low30.6Very low103 Ų103135.8 Ų135.872%0.7277%0.774SS**  trans-99.4165.9155.571.20000107.6
205S29.9Very low30.1Very low84 Ų84134.3 Ų134.359%0.58777%0.773SS**  cis-161.3169.226.7-80.50000107.7
206Q29.5Very low29.5Very low156 Ų156135.1 Ų135.173%0.72978%0.782SS**  cis-162.1168.6-11.8-106.1160.6-107.300106.1
207N25.2Very low29.3Very low149 Ų149133 Ų13380%0.79778%0.784SS**  177.6137.988.3-95.2-25000110.6
208S25.2Very low28.7Very low121 Ų121132.2 Ų132.285%0.84678%0.775SS**  trans-158.8147.1144.5-100.90000108.2
209P31.6Very low28.5Very low117 Ų117135.7 Ų135.776%0.7679%0.787SS**  trans-89.2148.3-161.234.4-36.1000114.2
210S22.9Very low28.2Very low111 Ų111132.8 Ų132.878%0.77678%0.777SS**  trans-83.8133.1157.855.80000110.1
211I24.7Very low28.4Very low156 Ų156132.2 Ų132.280%0.878%0.778SS**  trans-112.9129.5161.3-64.2178.5000107.6
212T29.9Very low29Very low131 Ų131129.3 Ų129.380%0.80477%0.774SS**  trans-116.4124.5175.8490000109.4
213E24.3Very low29.2Very low176 Ų176130 Ų13082%0.82277%0.772SS**  trans-98.2121166.1-76.7-156.1113.700111.5
214S27.3Very low29.1Very low125 Ų125131.1 Ų131.187%0.87477%0.767SS**  trans-165.3123.4152.4-81.50000107.7
215V27.2Very low29.2Very low129 Ų129130.9 Ų130.978%0.78277%0.765SS**  trans-104.3135.6-162.9-1760000111.7
216S30.1Very low29.4Very low120 Ų120132.7 Ų132.784%0.83978%0.778SS**  trans-162.6118.7154.8-85.70000115
217A29.3Very low29.3Very low97 Ų97129 Ų12980%0.80278%0.782SS**  trans37.488.5146.600000121.8
218H27.6Very low29.6Very low149 Ų149128 Ų12869%0.6979%0.787SS**  11.1122.9127.5-175.9-71000120.6
219L30.6Very low30.4Very low157 Ų157128 Ų12882%0.82278%0.782SS**  trans-141.3165.9141.3-83-173.5000110.6
220D27Very low30.5Very low126 Ų126129 Ų12967%0.67478%0.781SS**  trans-69135.3-154.9-64.5-85.2000119.1
221S32.9Very low31.1Very low103 Ų103130.6 Ų130.672%0.7278%0.779SS**  10.9154.5122-69.90000121.3
222P46.3Very low31.4Very low106 Ų106131.5 Ų131.569%0.68878%0.78SS**  cis-146.9-174.9-22.640-20.5000116.4
223Q32.2Very low31.5Very low165 Ų165131.9 Ų131.977%0.77178%0.777SS**  trans89.2138.3141.5-94.5175.7-14.700122.5
224Q29.8Very low32Very low172 Ų172127.5 Ų127.580%0.80477%0.766SS**  trans70.5149.3163.9-59.9171.432.400118.1
225S29.2Very low32.2Very low98 Ų98130.8 Ų130.869%0.68577%0.768SS**  cis-168.6140.3-34.653.60000111.3
226S34Very low33Very low122 Ų122132.4 Ų132.485%0.85377%0.771SS**  trans51.192.5148-550000121.8
227G27.9Very low33.3Very low79 Ų79135.9 Ų135.981%0.81477%0.774SS**  85.4-169.2114.400000121.6
228S32.1Very low33.4Very low129 Ų129139.3 Ų139.390%0.90278%0.775SS**  trans87.3153.8-174.1-150.40000117.5
229T42.7Very low34.1Very low119 Ų119137.3 Ų137.373%0.7378%0.778SS**  trans-119.2145.8-173.550.70000111.6
230D32.5Very low34.4Very low138 Ų138135.1 Ų135.174%0.73877%0.773SS**  trans-176.4140.1138.4-92.3-12.8000107.2
231I34.8Very low34.7Very low145 Ų145134.9 Ų134.974%0.74478%0.776SS**  89.815052.5-73.6-177.7000112.6
232E30.8Very low34.8Very low175 Ų175139.7 Ų139.782%0.81878%0.784SS**  trans79.490.5173.5-82.6177.2172.200120.7
233D34Very low34.3Very low139 Ų139139.9 Ų139.974%0.74379%0.786SS**  84.6129.2106.1-123.3-12.2000123.7
234S33.4Very low35Very low85 Ų85140.7 Ų140.759%0.59479%0.794SS**  trans27.7120.3139.4-63.40000121.5
235Q31Very low35.4Very low194 Ų194138 Ų13891%0.90779%0.79SS**  -156.9147.395.8-108.5151.410000114.4
236L45.5Very low36.2Very low163 Ų163137.2 Ų137.285%0.85380%0.797SS**  trans-83.9127.9172.4-66.9167.7000110.1
237Q35.4Very low36.3Very low193 Ų193137.2 Ų137.290%0.90280%0.796SS**  trans-131.4157.7151.2-79.1-139.7-20.700111.1
238M31.9Very low36.9Very low168 Ų168143.6 Ų143.683%0.82880%0.795SS**  trans-83.8164.1-168.9-64-86.887.100112.8
239S42Very low37.1Very low107 Ų107141.7 Ų141.775%0.74879%0.787SS**  trans-36.3127.7172.9179.10000116.3
240P38Very low37Very low111 Ų111142.8 Ų142.872%0.72178%0.784SS**  trans-92.4126.1138.533-25.3000109.3
241V32.1Very low37.4Very low122 Ų122141.9 Ų141.974%0.73978%0.784SS**  61.8112.773.8179.10000112P243V241-P243 WeakPolarHBondContact O-CD 3.48Å
242F36.1Very low37.4Very low203 Ų203143.2 Ų143.289%0.8979%0.787SS**  trans-66.1127.1-179.6-67.4-88.2000112.5
243P36.1Very low37.9Very low110 Ų110140.7 Ų140.771%0.71478%0.783SS**  trans-82.5121.3162.731.8-30.1000110.5V241 T245V241-P243 WeakPolarHBondContact O-CD 3.48Å; P243-T245 PolarHBondContact O-N 2.91Å; P243-T245 VanDerWaalsContact O-N 3.14Å
244L46.1Very low38.4Very low182 Ų182139.2 Ų139.295%0.95378%0.783SS**  trans-69.1102.4168-80.7159.8000110
245T38.8Very low39.1Very low115 Ų115146.4 Ų146.471%0.70680%0.797SS**  trans-99.1105.7171.344.20000110.8P243 C247P243-T245 PolarHBondContact O-N 2.91Å; P243-T245 VanDerWaalsContact O-N 3.14Å; T245-C247 PolarHBondContact O-N 2.99Å
246G44.9Very low40.2Very low82 Ų82144.4 Ų144.485%0.84579%0.792SS**  trans-75.591.2-179.100000113.2R248G246-R248 PolarHBondContact O-N 3.4Å; G246-R248 VanDerWaalsContact O-N 3.15Å
247C36.6Very low40.4Very low122 Ų122141.8 Ų141.882%0.82478%0.779SS**  trans-73.899172-68.80000111.2T245 A249T245-C247 PolarHBondContact O-N 2.99Å; C247-A249 PolarHBondContact O-N 3.28Å; C247-A249 VanDerWaalsContact O-N 3.16Å
248R39.1Very low41.4Very low213 Ų213137.9 Ų137.980%0.80476%0.763SS**  trans-78.794177.2-164.9-178-154.4-86-1.2110.7G246 E250G246-R248 PolarHBondContact O-N 3.4Å; G246-R248 VanDerWaalsContact O-N 3.15Å; R248-E250 IonicContact NH1-OE1 2.69Å; R248-E250 PolarHBondContact O-N 3.16Å
249A37.5Very low42.3Very low89 Ų89134.9 Ų134.974%0.73675%0.751SS**  trans-69.1117.7171.800000110.6C247C247-A249 PolarHBondContact O-N 3.28Å; C247-A249 VanDerWaalsContact O-N 3.16Å
250E40.2Very low42.8Very low142 Ų142135.7 Ų135.766%0.66475%0.746SS**  trans-97.498.4-179-173.1143.5-117.600110.9R248 H252R248-E250 IonicContact NH1-OE1 2.69Å; R248-E250 PolarHBondContact O-N 3.16Å; E250-H252 PolarHBondContact O-N 2.94Å
251V40.7Very low43.7Very low120 Ų120133.5 Ų133.573%0.72773%0.731SS**  trans-86.4103.1179.4-1770000109.8V253V251-V253 HydrophobicContact CG1-CG2 4.05Å; V251-V253 PolarHBondContact O-N 3.09Å
252H34.5Very low44.6Very low173 Ų173133.7 Ų133.780%0.80172%0.724SS**  trans-72.193.4171.8-87.2-76.4000111.5E250E250-H252 PolarHBondContact O-N 2.94Å
253V42.6Very low45.3Very low121 Ų121127.9 Ų127.973%0.73371%0.705SS**  trans-81.8118.6168.3-174.90000109.4V251 R255V251-V253 HydrophobicContact CG1-CG2 4.05Å; V251-V253 PolarHBondContact O-N 3.09Å; V253-R255 PolarHBondContact O-N 3.18Å
254S44.4Very low45.9Very low108 Ų108126.8 Ų126.876%0.75570%0.699SS**  trans-58.3126.4171.7-66.10000110.5L256S254-L256 PolarHBondContact O-N 2.95Å; S254-L256 VanDerWaalsContact O-N 3.1Å
255R47Very low46.2Very low236 Ų236125.6 Ų125.689%0.89169%0.686SS**  trans-60.5114.3-178.1-70175.661.9-167.9-2.3110.5V253V253-R255 PolarHBondContact O-N 3.18Å
256L54.2Low46.7Very low153 Ų153124.8 Ų124.880%0.80169%0.685SS**  trans-58.4142.1166.8-64.4174.2000109.5S254 L258S254-L256 PolarHBondContact O-N 2.95Å; S254-L256 VanDerWaalsContact O-N 3.1Å; L256-L258 PolarHBondContact O-N 3.16Å
257N50.3Low46.9Very low108 Ų108124.9 Ų124.958%0.57867%0.672SS**  trans-67.4133.8-176.6-167.918.7000110.6D259 L260N257-D259 VanDerWaalsContact C-N 3.33Å; N257-D259 PolarHBondContact ND2-OD2 3.4Å; N257-D259 VanDerWaalsContact ND2-OD2 3.12Å; N257-D259 PolarHBondContact O-N 3.36Å; N257-L260 PolarHBondContact O-N 2.94Å
258L57Low47.2Very low110 Ų110121.7 Ų121.758%0.57666%0.66SS**Hα-helixtrans-67-36-167.2-171.959.8000112.1L256 L260 V261 E262L256-L258 PolarHBondContact O-N 3.16Å; L258-L260 PolarHBondContact O-N 3.44Å; L258-V261 WeakPolarHBondContact O-CB 3.45Å; L258-V261 PolarHBondContact O-N 3.32Å; L258-E262 PolarHBondContact O-N 3.37Å
259D50.4Low47.2Very low106 Ų106117 Ų11757%0.56766%0.658SS**Hα-helixtrans-57.6-36-177.6-44.6-28.5000112.5N257 V261 E262 T263N257-D259 VanDerWaalsContact C-N 3.33Å; N257-D259 PolarHBondContact ND2-OD2 3.4Å; N257-D259 VanDerWaalsContact ND2-OD2 3.12Å; N257-D259 PolarHBondContact O-N 3.36Å; D259-V261 VanDerWaalsContact C-N 3.27Å; D259-V261 PolarHBondContact O-N 2.94Å; D259-E262 PolarHBondContact O-N 3.41Å; D259-T263 PolarHBondContact O-N 3.4Å; D259-T263 PolarHBondContact O-OG1 3.22Å
260L52.9Low47.1Very low124 Ų124119.5 Ų119.565%0.64966%0.663SS**Hα-helixtrans-70.9-24.5179.6-166.567.5000112.4N257 L258 T263 C264N257-L260 PolarHBondContact O-N 2.94Å; L258-L260 PolarHBondContact O-N 3.44Å; L260-T263 WeakPolarHBondContact CA-OG1 3.16Å; L260-T263 PolarHBondContact O-OG1 3.4Å; L260-C264 PolarHBondContact O-SG 3.36Å
261V55.7Low47Very low65 Ų65121 Ų12139%0.39467%0.668SS.*Hα-helixtrans-84.7-19.1-179.6-176.30000111.6L258 D259 K265L258-V261 WeakPolarHBondContact O-CB 3.45Å; L258-V261 PolarHBondContact O-N 3.32Å; D259-V261 VanDerWaalsContact C-N 3.27Å; D259-V261 PolarHBondContact O-N 2.94Å; V261-K265 WeakPolarHBondContact O-CD 3.22Å; V261-K265 WeakPolarHBondContact O-CE 3.49Å; V261-K265 WeakPolarHBondContact O-CG 3.29Å
262E51Low46.8Very low126 Ų126121.5 Ų121.559%0.58967%0.673SS**Hα-helixtrans-83.4-39.6170.9-63.2-157.2132.600111.9L258 D259 C264 K265 S266L258-E262 PolarHBondContact O-N 3.37Å; D259-E262 PolarHBondContact O-N 3.41Å; E262-C264 PolarHBondContact O-N 2.94Å; E262-K265 WeakPolarHBondContact O-CB 3.48Å; E262-K265 PolarHBondContact O-N 3.43Å; E262-S266 PolarHBondContact O-N 3.46Å
263T51.1Low46.6Very low80 Ų80116.7 Ų116.749%0.49167%0.671SS.*Hα-helixtrans-57.4-36.1176.543.70000113.4D259 L260 K265 S266D259-T263 PolarHBondContact O-N 3.4Å; D259-T263 PolarHBondContact O-OG1 3.22Å; L260-T263 WeakPolarHBondContact CA-OG1 3.16Å; L260-T263 PolarHBondContact O-OG1 3.4Å; T263-K265 VanDerWaalsContact C-N 3.28Å; T263-K265 PolarHBondContact O-N 3.38Å; T263-S266 PolarHBondContact O-N 3.46Å; T263-S266 PolarHBondContact O-OG 2.98Å
264C49.1Very low46.4Very low87 Ų87119 Ų11959%0.58868%0.679SS**Hα-helixtrans-77.3-7.6177.3-620000114.3L260 E262 S267L260-C264 PolarHBondContact O-SG 3.36Å; E262-C264 PolarHBondContact O-N 2.94Å; C264-S267 PolarHBondContact O-OG 3.12Å
265K51.3Low45.8Very low157 Ų157121 Ų12168%0.68368%0.681SS**Hα-helixtrans-93-20.5173.4-67.6169.4-172.3166.80112.6V261 E262 T263V261-K265 WeakPolarHBondContact O-CD 3.22Å; V261-K265 WeakPolarHBondContact O-CE 3.49Å; V261-K265 WeakPolarHBondContact O-CG 3.29Å; E262-K265 WeakPolarHBondContact O-CB 3.48Å; E262-K265 PolarHBondContact O-N 3.43Å; T263-K265 VanDerWaalsContact C-N 3.28Å; T263-K265 PolarHBondContact O-N 3.38Å
266S50.8Low45.3Very low99 Ų99118.4 Ų118.469%0.69268%0.681SS**Hα-helixtrans-81-1517335.80000114.2E262 T263 G268E262-S266 PolarHBondContact O-N 3.46Å; T263-S266 PolarHBondContact O-N 3.46Å; T263-S266 PolarHBondContact O-OG 2.98Å; S266-G268 PolarHBondContact O-N 3.23Å
267S49.4Very low44.2Very low83 Ų83113.9 Ų113.958%0.5867%0.672SS**  trans-95.687.6178.355.60000111.8C264C264-S267 PolarHBondContact O-OG 3.12Å
268G42Very low43.3Very low55 Ų55119.8 Ų119.857%0.56769%0.686SS**  trans-69.2157.9165.500000111.9S266 V270S266-G268 PolarHBondContact O-N 3.23Å; G268-V270 PolarHBondContact O-N 3.2Å
269P38.3Very low42Very low116 Ų116121.1 Ų121.175%0.75369%0.689SS**  trans-66.6121.3178.527.5-33.7000110.9F271P269-F271 HydrophobicContact CB-CE2 4.42Å; P269-F271 HydrophobicContact CG-CE2 4.47Å; P269-F271 PolarHBondContact O-N 3.42Å
270V36.4Very low41.2Very low140 Ų140125.1 Ų125.185%0.84870%0.696SS**  trans-84.1107.5171.8178.80000108.4G268G268-V270 PolarHBondContact O-N 3.2Å
271F38.8Very low40.1Very low175 Ų175125.5 Ų125.577%0.76870%0.695SS**  trans-81140.2162-74-88.3000109.3P269 G273P269-F271 HydrophobicContact CB-CE2 4.42Å; P269-F271 HydrophobicContact CG-CE2 4.47Å; P269-F271 PolarHBondContact O-N 3.42Å; F271-G273 PolarHBondContact O-N 2.82Å
272P35.5Very low39.1Very low129 Ų129129.1 Ų129.184%0.83871%0.711SS**  trans-62.8129.6163.2-14.429.2000108.9
273G31Very low38.1Very low72 Ų72129.5 Ų129.574%0.74271%0.713SS**  trans-124.7122.9172.700000109.6F271F271-G273 PolarHBondContact O-N 2.82Å
274D37.5Very low37.2Very low170 Ų170133 Ų13391%0.90972%0.724SS**  trans-69.4133.5174.6-65.7-63.9000111M276D274-M276 PolarHBondContact O-N 3.4Å
275D32.5Very low36.1Very low151 Ų151134.1 Ų134.181%0.80773%0.733SS**  trans-8999-176-176.513.4000111.9
276M35.5Very low35.8Very low180 Ų180132.1 Ų132.189%0.88774%0.736SS**  trans-137.569.7168.7-77.6-62-68.200111.3D274D274-M276 PolarHBondContact O-N 3.4Å
277G30.7Very low34.7Very low59 Ų59133.3 Ų133.361%0.60874%0.739SS**  trans-75.9134.3-179.200000115.7
278R32.3Very low33.8Very low232 Ų232138.3 Ų138.388%0.87575%0.751SS**  trans-162.9108.1141.9-125.3170.4-96.2-103.82.6115.2
279E30.5Very low33.2Very low137 Ų137140.9 Ų140.964%0.6476%0.755SS**  trans47.7138.9144-94.3-177.1100.100123.8
280R32Very low32.8Very low190 Ų190144.7 Ų144.772%0.71776%0.76SS**  trans83.5139.4147.3-74.4174.8-161.5-88.3-8.8118.9
281Q30.8Very low32.8Very low132 Ų132143.5 Ų143.562%0.61776%0.758SS**  cis-168.6127.7-5.5-178.2174.2-64.100113.4
282L33.7Very low32.5Very low141 Ų141141.1 Ų141.174%0.73876%0.76SS**  trans63152.7161.4-84.967.2000116.1
283E31.4Very low32.1Very low135 Ų135141.2 Ų141.263%0.63176%0.758SS**  cis-152.8157.2-7.7-89.8-109.370.700113
284Q31.8Very low32.1Very low153 Ų153147.2 Ų147.272%0.71576%0.764SS**  trans50.3109.5145.1-69.9168.134.100122.3
285S25.4Very low31.7Very low110 Ų110144 Ų14477%0.76976%0.761SS**  trans-65.2-171.7145.4-50000111.3
286P45.6Very low31.7Very low116 Ų116147.8 Ų147.875%0.75376%0.764SS**  cis-122.4-154.46.624.43.6000110.9
287T28.5Very low31.4Very low124 Ų124146 Ų14676%0.76176%0.763SS**  cis-148.1169.817.458.80000114.3
288F29.1Very low31.4Very low187 Ų187147 Ų14782%0.8277%0.766SS**  trans-53.8171.5151-70.9-110.7000112
289V29.6Very low31.3Very low110 Ų110142.8 Ų142.867%0.66776%0.761SS**  cis-158.5149.827.3-135.50000112.6
290K30.3Very low31Very low196 Ų196142.1 Ų142.185%0.85277%0.77SS**  trans60.4143.8145.7-78.8167.1-175.5175.20121.8
291S36.8Very low30.8Very low114 Ų114137.7 Ų137.780%0.79777%0.768SS**  trans-72.2156.5178.4-19.60000114.5
292P31.9Very low30.6Very low126 Ų126137.7 Ų137.782%0.81877%0.773SS**  trans-97.4154.4155.435.8-29.3000112.3
293V27.6Very low30.7Very low130 Ų130139.1 Ų139.179%0.78878%0.775SS**  trans-114134.1174.6154.20000109.2
294F31.4Very low31.3Very low199 Ų199138 Ų13887%0.87378%0.78SS**  trans19.8122.5160-73.9-101.6000120.6
295A29.3Very low31.1Very low103 Ų103134.6 Ų134.685%0.85178%0.777SS**  trans-153.4141.8131.500000111.1
296R30.9Very low31.2Very low229 Ų229135 Ų13586%0.86478%0.778SS**  trans-111.5148.2167.9-72.1167.164.9-177.90.3108.6
297T30.5Very low30.3Very low143 Ų143138.5 Ų138.588%0.87779%0.785SS**  161.8168.5124.7380000112.1
298A30.5Very low30.3Very low80 Ų80139.5 Ų139.566%0.66179%0.786SS**  trans78.885.8162.500000119.9
299D29.4Very low30.4Very low143 Ų143137.9 Ų137.977%0.76579%0.785SS**  66.1102.4113.2-53.8-32.5000122.8
300C25.2Very low30.2Very low124 Ų124140.3 Ų140.384%0.83879%0.789SS**  65.7153.3109.6-63.60000123.5
301S26.6Very low30Very low97 Ų97137.2 Ų137.268%0.67878%0.781SS**  trans99.586.7142.9-168.30000121.7
302N26.4Very low29.5Very low132 Ų132137.7 Ų137.771%0.70678%0.784SS**  70.2116.3120.5-61.3-53.7000123
303H36.1Very low29.3Very low171 Ų171141 Ų14179%0.79279%0.786SS**  trans67.9174.1130.1-83.3-60.5000119.2
304P44.4Very low29.1Very low112 Ų112140 Ų14073%0.72779%0.785SS**  cis-137.8-175.117.344.9-26.6000118.5
305A28.2Very low29.6Very low80 Ų80135.7 Ų135.766%0.66178%0.779SS**  trans65.8121.6162.200000117.5
306C26.2Very low29.7Very low118 Ų118139 Ų13980%0.79778%0.777SS**  65136.682.8-58.20000112.8
307E28.3Very low29.7Very low190 Ų190136.8 Ų136.889%0.88878%0.777SS**  cis-133.3-162.341.7-62.8178.6148.400114.8
308N28.4Very low29.7Very low145 Ų145135.7 Ų135.778%0.77578%0.775SS**  trans-123.6-171.8-170-71.7-92.3000112.5
309L30.4Very low29.7Very low154 Ų154136.4 Ų136.481%0.80678%0.775SS**  trans80.7144.3171.3-83.675.7000116.2
310E24.9Very low30Very low160 Ų160136.7 Ų136.775%0.74878%0.777SS**  cis-153.9163.9-7.8-170.8159.6-154.100112.8
311L27.2Very low31Very low131 Ų131135.9 Ų135.969%0.68677%0.77SS**  trans-35150.2176.5-57.5160.4000119.1
312S26.1Very low31Very low124 Ų124137.2 Ų137.287%0.86777%0.774SS**  -170.2157.1119.7-84.90000114.4
313F26.8Very low31.2Very low195 Ų195136.3 Ų136.386%0.85577%0.773SS**  trans-100.1159.5-176.1-65.4-108.6000112.9
314S24.5Very low30.8Very low110 Ų110139.2 Ų139.277%0.76978%0.777SS**  -173.1160.8122.4-160.70000112.9
315S42.5Very low30.1Very low108 Ų108137.8 Ų137.876%0.75577%0.77SS**  trans-132.5148.4176.6-54.60000112.2
316Q29.8Very low30.2Very low172 Ų172140.8 Ų140.880%0.80478%0.775SS**  trans-171.5131.6158.3-103141.594.700106.3
317E31.3Very low30.5Very low184 Ų184140.4 Ų140.486%0.8677%0.773SS**  cis77108.545.8-160.9-170.313400114.6
318S30.5Very low31.1Very low119 Ų119137.8 Ų137.883%0.83277%0.773SS**  trans-165.9166.1147.855.20000108.6
319S31Very low31.3Very low96 Ų96139.9 Ų139.967%0.67178%0.778SS**  trans-155153.6-167.862.50000116.5
320N34.4Very low31.5Very low148 Ų148137.1 Ų137.179%0.79177%0.771SS**  trans71.4163148.6-71.4-27.1000119.7
321P46.5Very low32.4Very low108 Ų108135.5 Ų135.570%0.70178%0.775SS**  cis-140.6177.2-1529.4-6.8000117.4
322T26.9Very low32.5Very low124 Ų124133.6 Ų133.676%0.76177%0.769SS**  trans99.5125.3140.5-15.80000122
323V31.1Very low32.5Very low113 Ų113139 Ų13969%0.68577%0.772SS**  136.3112129.1175.60000114.3
324R28.3Very low32.7Very low232 Ų232137.3 Ų137.388%0.87577%0.766SS**  trans63.7159.1159.8-70.8179.6171.7177.6-4.6117.2
325S29.9Very low32.7Very low82 Ų82142.1 Ų142.157%0.57377%0.773SS**  cis-169.5158.7-18.3-91.90000107
326D29Very low32.1Very low144 Ų144143.5 Ų143.577%0.7778%0.777SS**  cis-164.4-179.4-23.3-88.3-34000106.9
327S32.5Very low32.7Very low109 Ų109140.8 Ų140.876%0.76278%0.775SS**  trans-153.9150.1171.5-73.90000111.7
328P41.3Very low32.4Very low135 Ų135137.9 Ų137.988%0.87778%0.775SS**  trans-75.7149.9-174.230.5-35000113.4
329Q32.4Very low32.1Very low189 Ų189135 Ų13588%0.88376%0.764SS**  trans-113.2162.4-173.9-62-178.5-85.400113.5
330S34.8Very low32.1Very low96 Ų96139.2 Ų139.267%0.67177%0.773SS**  trans-73.3162.9165.655.10000113.4
331P42.6Very low31.7Very low127 Ų127137.4 Ų137.483%0.82577%0.771SS**  trans-97.1143.8156.434.8-28.9000112.1
332V30Very low30.9Very low91 Ų91136.8 Ų136.855%0.55277%0.77SS**  trans-134.2144177.7171.90000108.4
333Y27.3Very low30.9Very low237 Ų237138.4 Ų138.493%0.92977%0.773SS**  trans-147.8149.2152.7-87.1-62.4000113.3
334H29.4Very low30.7Very low159 Ų159138.5 Ų138.574%0.73678%0.777SS**  trans-115.9149.8-179.8-56.1-97.2000111.5
335K25.6Very low30.7Very low212 Ų212135.7 Ų135.792%0.92277%0.772SS**  178136.8125.8-95.7152.5-173.2173.40113.9
336T29.8Very low30.8Very low136 Ų136139 Ų13983%0.83478%0.783SS**  trans-84-180160.928.80000110.6
337P42.7Very low31.3Very low116 Ų116137.9 Ų137.975%0.75378%0.784SS**  cis-137.1-167.89.143.6-25.4000116.1
338S24.1Very low31Very low123 Ų123138.2 Ų138.286%0.8679%0.785SS**  trans80140.1163.8-161.70000117
339G25.6Very low30.3Very low59 Ų59143.7 Ų143.761%0.60879%0.788SS**  cis166.3176.7-6.200000113
340Q30.3Very low29.9Very low184 Ų184137.7 Ų137.786%0.8678%0.776SS**  trans71.5115178.1-51.4-174.35.200114.6
341S25.8Very low29.5Very low109 Ų109142.3 Ų142.376%0.76279%0.787SS**  84.6145.987.190.30000113.1
342S29.8Very low28.7Very low96 Ų96141.4 Ų141.467%0.67178%0.779SS**  cis-159.4169.420.659.10000112.9
343L27.5Very low28.7Very low157 Ų157143.4 Ų143.482%0.82278%0.782SS**  trans30.5147.3148.1-83.663.9000121.3
344C26.7Very low28.9Very low115 Ų115142.3 Ų142.378%0.77778%0.777SS**  cis-157178.514.2-138.60000113.3
345K28.2Very low28.9Very low174 Ų174145.6 Ų145.676%0.75778%0.783SS**  trans-108.2-169.5161.7-82.1-164.2173.6-168.60110.2
346D31Very low29Very low152 Ų152140 Ų14081%0.81376%0.763SS**  trans94.1149.9155.5-76.414.9000119.2
347P39.9Very low29.2Very low120 Ų120142 Ų14278%0.77976%0.763SS**  -136.8-139-128.144.6-25.3000115.5
348C27.1Very low28.7Very low116 Ų116145.4 Ų145.478%0.78476%0.761SS**  trans-72.5158.8-160-460000117.3
349R25.4Very low28.9Very low250 Ų250145.9 Ų145.994%0.94375%0.753SS**  trans71.1134.6150.2-172.9-171.1-68.4-106.23.2115.8
350G24.2Very low29Very low62 Ų62148.3 Ų148.364%0.63976%0.756SS**  cis167.3-159.6-0.200000111.1
351Q26.7Very low28.8Very low193 Ų193144.8 Ų144.890%0.90275%0.751SS**  trans74.6155.9-176.4-57.9-163.32.300115.3
352V26.4Very low30.3Very low109 Ų109145.2 Ų145.266%0.66175%0.752SS**  cis-143.8156.211.889.90000114.2
353E29.1Very low30.1Very low132 Ų132146.1 Ų146.162%0.61775%0.753SS**  trans48.7128.9160.7-66.8-165.1106.400125.4
354R31.4Very low30Very low214 Ų214146.7 Ų146.781%0.80875%0.752SS**  trans38132.5133.8-49.5-170.6-131.3-136.94119.2
355R29Very low30Very low229 Ų229146.4 Ų146.486%0.86475%0.746SS**  cis-150.6-179.349.9-127.5-173.2177.2134.7-3.2113.8
356D29.1Very low29.9Very low94 Ų94146.4 Ų146.450%0.50375%0.749SS.*  trans-42159.2173.3-53.5-96.6000115.8R358D356-R358 IonicContact OD1-CZ 3.66Å; D356-R358 IonicContact OD1-NE 3.32Å; D356-R358 PolarHBondContact OD1-NE 3.12Å; D356-R358 IonicContact OD1-NH2 2.77Å; D356-R358 PolarHBondContact OD1-NH2 2.95Å
357E32.7Very low29.7Very low178 Ų178149.4 Ų149.483%0.83275%0.749SS**  cis-135.712719.8-69.7177.6106.300110.8
358R32.7Very low29.1Very low188 Ų188150 Ų15071%0.70975%0.75SS**  74.2129.777.2-65.6172.5-165.6-107.22115.9D356D356-R358 IonicContact OD1-CZ 3.66Å; D356-R358 IonicContact OD1-NE 3.32Å; D356-R358 PolarHBondContact OD1-NE 3.12Å; D356-R358 IonicContact OD1-NH2 2.77Å; D356-R358 PolarHBondContact OD1-NH2 2.95Å
359L29.2Very low29.1Very low133 Ų133151 Ų15170%0.69675%0.748SS**  cis-161.6139.6-12.3-119.2176.6000112.2
360T27.1Very low29.4Very low109 Ų109145.6 Ų145.667%0.66974%0.737SS**  trans40.2109.3153.845.60000122.4
361S26.7Very low29.6Very low110 Ų110150.4 Ų150.477%0.76974%0.743SS**  45.4145.698.7-48.50000122.3
362P56.5Low29.7Very low119 Ų119148.7 Ų148.777%0.77374%0.739SS**  trans-85.7-178.2177.239.2-38.9000113.2
363T25.1Very low29.8Very low114 Ų114151.8 Ų151.870%0.69975%0.746SS**  trans165.8145.2131.2-69.80000113.1
364E25.6Very low29.8Very low169 Ų169149.5 Ų149.579%0.7975%0.75SS**  trans53.2132.3158.5-75.7179.3117.600126.5
365V26.6Very low29.8Very low109 Ų109144.8 Ų144.866%0.66175%0.75SS**  53.4102.4126.8-174.70000121
366Q26.6Very low29.9Very low174 Ų174140.9 Ų140.981%0.81375%0.746SS**  -171.4136.8120.8-97.5148.6112.200108.2
367R26.4Very low29.9Very low215 Ų215141.8 Ų141.881%0.81176%0.759SS**  84.9122.757.6-153-176.5-156.3161.56.9112.1
368T26.9Very low29.8Very low133 Ų133139 Ų13982%0.81675%0.75SS**  trans60.5162.1173.648.70000117.7
369D28.5Very low29.7Very low137 Ų137138.2 Ų138.273%0.73375%0.754SS**  cis-178.7168.4-34.6-162.8-9.3000106.2
370L30.1Very low29.7Very low136 Ų136137 Ų13771%0.71276%0.757SS**  trans65.3137.7-175.4-61.695.3000114.8
371Q29.8Very low30.5Very low163 Ų163137.4 Ų137.476%0.76276%0.761SS**  cis89.4112.631.2-172.1-17165.900114.7
372L29.3Very low30.9Very low158 Ų158137.9 Ų137.983%0.82776%0.764SS**  trans179.6132.9155.2-95.5154.6000104.9
373Q26.9Very low29.4Very low173 Ų173136 Ų13681%0.80877%0.766SS**  cis59.3136.547-75.2-166.71.500114.2
374A29.3Very low29.6Very low84 Ų84136.1 Ų136.169%0.69477%0.771SS**  cis-167.5170-1100000109.8
375S31.5Very low29.9Very low116 Ų116138.7 Ų138.781%0.81177%0.773SS**  trans-169.4142.6149.357.20000111.8
376D31.1Very low30.1Very low147 Ų147143.1 Ų143.179%0.78678%0.784SS**  trans-97.8-171.2-165.6-56.3-92.3000115.8
377C30.4Very low30.3Very low113 Ų113141.3 Ų141.376%0.76478%0.78SS**  trans78.5139.7160.5-68.30000118.8
378D29.6Very low30.8Very low120 Ų120139.4 Ų139.464%0.64278%0.784SS**  cis-163.4168.3-17.6-134-50.1000113.5
379Q30.3Very low31.2Very low170 Ų170142.1 Ų142.179%0.79478%0.784SS**  trans34.2123.6155.3-80.5150.976.900122.6
380S28.8Very low31.3Very low109 Ų109140.4 Ų140.476%0.76278%0.783SS**  trans-92.3166.8156.762.20000111.5
381P45.1Very low31.2Very low117 Ų117141.8 Ų141.876%0.7679%0.791SS**  -150.8160.4107.238.1-21.2000118.4
382S33.8Very low31.3Very low119 Ų119137.7 Ų137.783%0.83279%0.793SS**  trans-14.1152.9160.560.70000122.7
383G26.6Very low31.3Very low79 Ų79136.3 Ų136.381%0.81480%0.795SS**  trans-179.461.9163.600000120
384C29.2Very low32.2Very low118 Ų118133.6 Ų133.680%0.79779%0.792SS**  trans-34.3137.4178-71.30000121.1
385R30.4Very low32.2Very low223 Ų223136.4 Ų136.484%0.84280%0.801SS**  trans59.3127.9140.7-61.4174.1179.2-99.64120.6
386K31.7Very low32.2Very low201 Ų201134.8 Ų134.887%0.87479%0.794SS**  -170.9163.9104.1-104.2167.3-175.1175.60114.7
387D31.6Very low32.1Very low137 Ų137136.9 Ų136.973%0.73380%0.799SS**  trans-81.4156.5-171.3-34.6-105.9000113.5
388I36.6Very low32Very low174 Ų174137.1 Ų137.189%0.89280%0.801SS**  trans-164.8156.3147.2-102.9151.2000109.7
389K33.9Very low31.9Very low190 Ų190138 Ų13883%0.82681%0.806SS**  trans-101.8179.7-175.2-70.1-175.5173.8-174.60112.8
390S30.4Very low32Very low102 Ų102140.7 Ų140.771%0.71381%0.809SS**  trans73.8144.6164.767.70000117.5
391D29.6Very low32Very low165 Ų165146.3 Ų146.388%0.88282%0.815SS**  cis-158146.7-24.5-97.5-35.1000107.6
392G31.2Very low31.3Very low77 Ų77146 Ų14679%0.79482%0.816SS**  trans162.997.5179.100000115.7
393C29.7Very low31.3Very low129 Ų129146.4 Ų146.487%0.87282%0.816SS**  trans-121.2170.7161.1-82.90000108.1
394P45.7Very low31.4Very low115 Ų115152.1 Ų152.175%0.74782%0.818SS**  cis-131.8170.52.740.8-26.5000115.2
395T29.7Very low31.6Very low143 Ų143152 Ų15288%0.87782%0.818SS**  trans-158147.6134.412.10000111.8
396A30.7Very low31.6Very low82 Ų82150.3 Ų150.368%0.67882%0.82SS**  trans-7.8121.6167.600000117.6
397E30.2Very low31.6Very low191 Ų191149.4 Ų149.489%0.89382%0.819SS**  70.5144.783.2-71.9179.2-176.900114.2
398C27.7Very low31.7Very low119 Ų119148.9 Ų148.980%0.80482%0.82SS**  cis-141.9155.85.6-174.90000109.9
399N27.2Very low31.5Very low139 Ų139147.5 Ų147.574%0.74382%0.815SS**  trans-143.7149.9161.4-156.8-2.5000111.5
400R31.6Very low31.6Very low225 Ų225146.8 Ų146.885%0.84981%0.814SS**  trans-76.8145.1-159.5-63.9172.8-71.3-157.7-1.6113.8
401Y28.5Very low31.5Very low227 Ų227149.6 Ų149.689%0.8982%0.821SS**  trans-129.5140.3159.1-91.1-84.6000110.3
402S31.3Very low31.6Very low112 Ų112148 Ų14878%0.78382%0.822SS**PPolyproline II helixtrans-74144.6173.4-49.70000111
403P34.3Very low31.7Very low127 Ų127154 Ų15483%0.82583%0.826SS**PPolyproline II helixtrans-72.5151.5175.531-34.9000111.9
404K27.3Very low31.7Very low199 Ų199151.8 Ų151.887%0.86583%0.825SS**PPolyproline II helixtrans-100.4144.5150.7-64.4173.1178.9174.50107.2
405S35Very low30.9Very low114 Ų114158.4 Ų158.480%0.79784%0.835SS**PPolyproline II helixtrans-98.5129.6143.240.40000106.5
406E29.4Very low31Very low188 Ų188158.5 Ų158.588%0.87984%0.836SS**  cis79.6131.637.4-158.3153.5-11800112.4
407E31.1Very low31.1Very low182 Ų182160 Ų16085%0.8584%0.841SS**  trans-121.6114.6-149.5-178.1175.7-17700109.9
408V34.5Very low31.2Very low126 Ų126154.3 Ų154.376%0.76483%0.834SS**  trans-100.2137.5-180178.20000110.2E410V408-E410 HydrophobicContact CG1-CG 4.26Å
409N32.5Very low31.5Very low146 Ų146158.5 Ų158.578%0.78184%0.839SS**  trans-122.168.1-157.360.3-33.6000113.3
410E36Very low31.8Very low175 Ų175161.3 Ų161.382%0.81884%0.844SS**  trans-104.4138.3-177.9-61.6-158.9146.800114.6V408 C412V408-E410 HydrophobicContact CG1-CG 4.26Å; E410-C412 PolarHBondContact O-N 2.96Å
411N28.2Very low32Very low161 Ų161159.7 Ų159.786%0.86185%0.846SS**  trans-83.4112.2-171.2-73.6-41.5000112.6
412C32.2Very low32.3Very low132 Ų132157 Ų15789%0.89285%0.847SS**PPolyproline II helixtrans-95.1126.2158.8-80.70000111.2E410E410-C412 PolarHBondContact O-N 2.96Å
413K33.7Very low32.4Very low201 Ų201157.9 Ų157.987%0.87485%0.847SS**PPolyproline II helixtrans-76.4140.2179.2-65.7169.7-175.71680109.5W415K413-W415 PolarHBondContact O-N 3.45Å
414G28.9Very low32.6Very low83 Ų83156.9 Ų156.986%0.85684%0.843SS**PPolyproline II helixtrans-70.3126-172.300000113.7
415W28.9Very low33.1Very low255 Ų255154.4 Ų154.497%0.96684%0.839SS**PPolyproline II helixtrans-94.3128.3155.7-98.7-45.8000110K413K413-W415 PolarHBondContact O-N 3.45Å
416T31.7Very low33.3Very low145 Ų145156.2 Ų156.289%0.8984%0.837SS**  trans-90111.5161.749.90000108.6
417S34Very low33.9Very low113 Ų113152.3 Ų152.379%0.7983%0.826SS**  trans-126.8150.9165.9-165.80000110.2
418G31.5Very low34.1Very low72 Ų72150.4 Ų150.474%0.74282%0.821SS**PPolyproline II helixtrans-72.9130.9-169.100000112.7
419K33Very low34.4Very low206 Ų206151.1 Ų151.190%0.89682%0.819SS**PPolyproline II helixtrans-77.5122.9167.1-59.3-176.4-179.8-169.20108.8
420K35.2Very low34.4Very low198 Ų198154.2 Ų154.286%0.86182%0.82SS**PPolyproline II helixtrans-101.8129.5154.8-70.5-171.1175.3-173.60107.2L422K420-L422 PolarHBondContact O-N 3.49Å
421E34.5Very low34.5Very low192 Ų192151.1 Ų151.190%0.89782%0.818SS**  trans-74.3112.1175.7-86.2170.7122.200109.3T423E421-T423 PolarHBondContact O-N 2.88Å
422L36Very low35.3Very low171 Ų171151.6 Ų151.690%0.89582%0.815SS**  trans-87.998.1166.7-82.4162.2000108.3K420 S424K420-L422 PolarHBondContact O-N 3.49Å; L422-S424 PolarHBondContact O-N 3.47Å
423T33Very low35.6Very low130 Ų130152.5 Ų152.580%0.79881%0.806SS**  trans-69.1106.2168.246.50000108.8E421 D425E421-T423 PolarHBondContact O-N 2.88Å; T423-D425 PolarHBondContact O-N 3.33Å; T423-D425 VanDerWaalsContact O-N 3.1Å
424S37.7Very low36.4Very low105 Ų105150.7 Ų150.773%0.73480%0.8SS**  trans-69.5104.1178.3-174.90000110.6L422L422-S424 PolarHBondContact O-N 3.47Å
425D37.6Very low37.1Very low147 Ų147154.9 Ų154.979%0.78680%0.798SS**  trans-102.993.4172.9-136.6-3.9000107.7T423 T427T423-D425 PolarHBondContact O-N 3.33Å; T423-D425 VanDerWaalsContact O-N 3.1Å; D425-T427 PolarHBondContact O-N 3.5Å
426M39Very low37.6Very low152 Ų152149.5 Ų149.575%0.74979%0.788SS**  trans-78.882.6-174.7-79.4-106.164.600111.5
427T42.8Very low37.9Very low106 Ų106150.3 Ų150.365%0.6579%0.787SS**  trans-83.7116.9167.343.90000110.6D425 I429D425-T427 PolarHBondContact O-N 3.5Å; T427-I429 PolarHBondContact O-N 2.86Å; T427-I429 VanDerWaalsContact O-N 3.16Å
428L35Very low38.3Very low142 Ų142150.6 Ų150.674%0.74378%0.784SS**  trans-76.6100.3175.2-67.5174.4000110.3
429I40.6Very low38.7Very low141 Ų141152.2 Ų152.272%0.72378%0.779SS**  trans-81.4119166.4-59176.9000107.7T427 S431T427-I429 PolarHBondContact O-N 2.86Å; T427-I429 VanDerWaalsContact O-N 3.16Å; I429-S431 PolarHBondContact O-N 3.26Å
430W32.9Very low39.1Very low212 Ų212148.6 Ų148.680%0.80378%0.777SS**  trans-87.797171.6-73.366.3000108.5E432W430-E432 PolarHBondContact O-N 2.96Å
431S37.4Very low39.1Very low110 Ų110145.8 Ų145.877%0.76978%0.776SS**  trans-89.586.6173.9-62.30000110.2I429I429-S431 PolarHBondContact O-N 3.26Å
432E46.2Very low39.3Very low170 Ų170140.1 Ų140.179%0.79477%0.769SS**  trans-86.6100.3164.8-70.4-178.5172.900109.5W430W430-E432 PolarHBondContact O-N 2.96Å
433Q38.1Very low39.1Very low151 Ų151137.5 Ų137.571%0.70677%0.765SS**  174138.5126.9-172.354.149.400110.1E435Q433-E435 WeakPolarHBondContact CG-OE1 3.36Å
434E49.7Very low39.6Very low163 Ų163137.3 Ų137.376%0.76277%0.766SS**  trans-110.4135.4179.1161.4-172.3-129.300109.2
435E44.3Very low39.5Very low172 Ų172137.3 Ų137.380%0.80477%0.766SS**  trans-170.5144.7154.740.5-144.1141.500112.4Q433Q433-E435 WeakPolarHBondContact CG-OE1 3.36Å
436D40.3Very low39.4Very low142 Ų142135.8 Ų135.876%0.75976%0.764SS**  trans-79.8148.1-166.6-61.8-92.6000116V438D436-V438 VanDerWaalsContact C-N 3.27Å; D436-V438 HydrophobicContact CB-CG2 3.93Å; D436-V438 PolarHBondContact O-N 3.38Å
437D36.7Very low39.1Very low162 Ų162135 Ų13587%0.86677%0.768SS**  trans-79.269.4169.9-166.46.5000111.8
438V42.4Very low38.9Very low119 Ų119138.8 Ų138.872%0.72178%0.775SS**  trans-88.7109.5174.1-179.90000110.1D436D436-V438 VanDerWaalsContact C-N 3.27Å; D436-V438 HydrophobicContact CB-CG2 3.93Å; D436-V438 PolarHBondContact O-N 3.38Å
439T41Very low38.9Very low106 Ų106138 Ų13865%0.6578%0.779SS**  trans-54.5129.8178.756.40000112.7V441T439-V441 PolarHBondContact O-N 3.35Å
440P40.2Very low38.6Very low129 Ų129140.1 Ų140.184%0.83879%0.786SS**  trans-79.788-173.131.1-35.9000112.9
441V36.8Very low38.7Very low139 Ų139139.1 Ų139.184%0.84279%0.79SS**  trans-76.1120.9160176.10000108.5T439T439-V441 PolarHBondContact O-N 3.35Å
442G38.4Very low38.7Very low73 Ų73142.9 Ų142.975%0.75379%0.793SS**  trans-76.2151.5-159.300000117.1
443S31.6Very low38.1Very low116 Ų116140.7 Ų140.781%0.81179%0.793SS**  trans-135.8161.915764.60000108.9
444P42.6Very low38Very low127 Ų127138.3 Ų138.383%0.82580%0.799SS**PPolyproline II helixtrans-85.4143.6-146.231.5-36.4000115.7
445S36Very low37.3Very low104 Ų104137.1 Ų137.173%0.72780%0.803SS**PPolyproline II helixtrans-65.4146.1170.6-48.30000112.4V447S445-V447 PolarHBondContact O-N 3.48Å
446P35.6Very low36.9Very low116 Ų116134.5 Ų134.575%0.75380%0.8SS**PPolyproline II helixtrans-69.2123.2176.528.3-33.9000111.3
447V33.4Very low36.5Very low136 Ų136131.7 Ų131.782%0.82480%0.797SS**PPolyproline II helixtrans-87.6117.5179.5177.20000110.3S445S445-V447 PolarHBondContact O-N 3.48Å
448F37.6Very low36.2Very low184 Ų184130.9 Ų130.981%0.80779%0.793SS**PPolyproline II helixtrans-92144.5156.8-78.5-84.6000109.9E450F448-E450 PolarHBondContact O-N 2.96Å
449P35.1Very low35.7Very low125 Ų125131.1 Ų131.181%0.81279%0.79SS**PPolyproline II helixtrans-81.3119-172.9-6.925.2000111.5
450E34.6Very low35.3Very low187 Ų187133.5 Ų133.587%0.87479%0.794SS**PPolyproline II helixtrans-92.1123.9168.5-165.7174.1179.600109.9F448F448-E450 PolarHBondContact O-N 2.96Å
451E34.6Very low34.8Very low191 Ų191134.8 Ų134.889%0.89379%0.793SS**PPolyproline II helixtrans-73.3133.8-175.7-168.7-178.9162.900111.4
452K37.4Very low34.3Very low189 Ų189131.4 Ų131.482%0.82279%0.786SS**  trans-127.6110.7-167.4-157.1169.3-166.7166.40112.1
453P34.1Very low33.9Very low123 Ų123133.9 Ų133.980%0.79979%0.792SS**  trans-68136.9173.828.1-33.4000110.6
454A35Very low33.9Very low102 Ų102133.8 Ų133.884%0.84379%0.791SS**  trans-84.4141.2-172.700000113.4
455V34.7Very low33.8Very low138 Ų138132.7 Ų132.784%0.83678%0.784SS**  trans-130.8129.6161.8-177.90000107.5
456P37.6Very low33.6Very low116 Ų116137 Ų13775%0.75379%0.79SS**  trans-93.4152.4-167.335.5-36.3000115
457A30.5Very low33.3Very low83 Ų83139.9 Ų139.969%0.68679%0.793SS**  trans62.5104140.300000120.2
458D31.3Very low33Very low145 Ų145138.5 Ų138.578%0.77578%0.784SS**  92.7133.7110-80.115.9000124.1
459N30.9Very low32.6Very low125 Ų125137.2 Ų137.267%0.66879%0.785SS**  trans82.288140.5-68.2-37.2000121.8
460Q33Very low32.2Very low155 Ų155137.1 Ų137.172%0.72478%0.782SS**  80.7134.6107.8-71.2-98.557.200121.2
461L30.8Very low32Very low157 Ų157132.3 Ų132.382%0.82277%0.774SS**  trans66.6118.4148.5-64.7163.4000120.6
462G26.3Very low31.8Very low68 Ų68128 Ų12870%0.70177%0.765SS**  123.8110.9117.200000119.6
463S29.7Very low31.5Very low125 Ų125128.4 Ų128.487%0.87477%0.77SS**  trans59113.8138.4-54.20000121.8
464S30.9Very low31.3Very low113 Ų113129.9 Ų129.979%0.7977%0.766SS**  trans-63.8145.3147.2-164.90000109.6
465P41.7Very low31.5Very low105 Ų105130.4 Ų130.468%0.68276%0.761SS**  -157.7152.372.940.1-18.3000120.5
466K30.1Very low31Very low194 Ų194128.6 Ų128.684%0.84375%0.754SS**  trans62.4142.2140.5-67173.7-179.2177.50123
467H29.3Very low30.5Very low176 Ų176133.4 Ų133.482%0.81576%0.757SS**  trans98.4119.6138.9-107.8-127.2000123.3
468V28.2Very low31.2Very low108 Ų108135.5 Ų135.566%0.65576%0.764SS**  trans70.3100.4138.1171.80000122.1
469L28.9Very low31.1Very low156 Ų156134 Ų13482%0.81776%0.756SS**  50.9151.7105.3-107.5173.8000123.1
470V26Very low30.9Very low123 Ų123138 Ų13875%0.74576%0.762SS**  trans82.395.9167.4-179.70000115.2
471A30.4Very low31Very low86 Ų86135.5 Ų135.571%0.71176%0.762SS**  91154.283.300000113.2
472S30.6Very low30.9Very low100 Ų100134.3 Ų134.370%0.69976%0.755SS**  cis-168.1147.9-13.5-102.80000109.5
473Q31.7Very low31.3Very low198 Ų198140.1 Ų140.193%0.92576%0.761SS**  trans-178.3113138.6-103.3151.5113.200114
474E29.8Very low31.7Very low155 Ų155139.4 Ų139.472%0.72475%0.754SS**  trans-65.3164.5149.9-85.5-69.2131.500109.9S476E474-S476 PolarHBondContact OE2-N 3.4Å
475P39.6Very low31.6Very low112 Ų112143 Ų14373%0.72776%0.758SS**  cis-151.9170.141.943.9-23.4000120.9
476S24.4Very low31Very low100 Ų100147.5 Ų147.570%0.69977%0.767SS**  120.2132126.171.90000118.2E474E474-S476 PolarHBondContact OE2-N 3.4Å
477W27.4Very low30.9Very low217 Ų217144.9 Ų144.982%0.82277%0.771SS**  trans-92.6177172.6-59.936.2000109.7D479W477-D479 HydrophobicContact CE3-CB 4.11Å; W477-D479 HydrophobicContact CZ3-CB 4.32Å
478P43.9Very low30.9Very low128 Ų128142.1 Ų142.183%0.83177%0.772SS**  -138.4140.884.535.4-21.3000115.1
479D30Very low31.2Very low114 Ų114142 Ų14261%0.6178%0.776SS**  trans-78.5149.3152169.141.9000109.4W477W477-D479 HydrophobicContact CE3-CB 4.11Å; W477-D479 HydrophobicContact CZ3-CB 4.32Å
480W25.9Very low31.3Very low208 Ų208143.7 Ų143.779%0.78878%0.78SS**  trans-147.9118.3152.286.5-49000112L482W480-L482 HydrophobicContact CE3-CB 4.36Å; W480-L482 HydrophobicContact CE3-CD1 3.82Å; W480-L482 HydrophobicContact CE3-CG 4.49Å; W480-L482 HydrophobicContact CZ3-CB 4.25Å; W480-L482 HydrophobicContact CZ3-CD1 3.53Å; W480-L482 HydrophobicContact CZ3-CG 4.44Å
481S36Very low31.5Very low102 Ų102145.6 Ų145.671%0.71379%0.785SS**  trans-88.3139.6160.2-720000110.3
482L28.2Very low32.3Very low132 Ų132146.6 Ų146.669%0.69178%0.784SS**  trans-151.6124.4160.2-110.1170.7000113.5W480W480-L482 HydrophobicContact CE3-CB 4.36Å; W480-L482 HydrophobicContact CE3-CD1 3.82Å; W480-L482 HydrophobicContact CE3-CG 4.49Å; W480-L482 HydrophobicContact CZ3-CB 4.25Å; W480-L482 HydrophobicContact CZ3-CD1 3.53Å; W480-L482 HydrophobicContact CZ3-CG 4.44Å
483K33.8Very low32.2Very low190 Ų190148.1 Ų148.183%0.82679%0.789SS**  trans-81.1152.9153.3-62.1171.5178.7171.90107.3
484P39.4Very low32Very low110 Ų110144.1 Ų144.171%0.71478%0.784SS**  -159176.7103.935.2-13.8000118.1
485Q28.7Very low32.1Very low190 Ų190140.4 Ų140.489%0.88878%0.779SS**  trans99.4156.1151.4-57.5-144-1.100120.7
486K29.4Very low31.7Very low198 Ų198141.9 Ų141.986%0.86178%0.78SS**  trans-115.6155.1-171.2-63.8171.2174.51750109.7
487C26.3Very low32Very low139 Ų139145.3 Ų145.394%0.93979%0.785SS**  trans-139.3163.9143.6-95.70000109.6
488S29.8Very low32.1Very low118 Ų118140.3 Ų140.383%0.82578%0.784SS**  trans-139.9129.2-170177.30000111
489S34Very low31.3Very low107 Ų107143 Ų14375%0.74879%0.785SS**  trans-15990.6169.657.40000113.8
490Q31.3Very low32.3Very low191 Ų191142.6 Ų142.689%0.89379%0.788SS**  trans66.9134.5138.8-47.8-166.336.600121.9
491L30.3Very low32.3Very low163 Ų163140 Ų14085%0.85379%0.789SS**  trans-84.6-177.3162.1-91.686.8000110.1
492P48Very low31.9Very low106 Ų106140.4 Ų140.469%0.68879%0.791SS**  cis-118.7-173.71.634.2-13.4000112
493T27.6Very low32Very low132 Ų132145 Ų14581%0.8180%0.799SS**  cis-163.9169.539.9-20.50000107.2
494S29.1Very low31.9Very low115 Ų115143.2 Ų143.280%0.80479%0.794SS**  cis-149.4-131.418.969.70000114
495A31.8Very low31.4Very low77 Ų77145 Ų14564%0.63679%0.793SS**  trans-113.8167.3178.900000108.9
496L31Very low31.6Very low143 Ų143142.1 Ų142.175%0.74978%0.784SS**  cis-138.4147.430.7-81.7161.9000114.4
497Q29.7Very low31.7Very low172 Ų172139.7 Ų139.780%0.80479%0.785SS**  trans28.8137.6138.9-68171-21.500120.6
498S30.9Very low32Very low112 Ų112141.3 Ų141.378%0.78378%0.779SS**  cis-164.5144.6144.10000113.4
499H26.3Very low32Very low185 Ų185147.2 Ų147.286%0.85678%0.783SS**  trans-95-165.7167.6-61-68.5000111.1
500P50.5Low31.8Very low105 Ų105146.2 Ų146.268%0.68278%0.781SS**  -120.9-171.5-72.936-18.2000110.6
501L26.8Very low31.9Very low154 Ų154141.7 Ų141.781%0.80677%0.77SS**  -171.8124.984.7-82.6166.9000106.9
502S28.1Very low32.3Very low109 Ų109140.2 Ų140.276%0.76277%0.771SS**  70.1102.276.9-167.30000114.8
503R30.3Very low31.5Very low228 Ų228144 Ų14486%0.8678%0.779SS**  trans-142.8137.5134.1-174168.3175.6174.8-1.9109.5E505R503-E505 IonicContact NH2-OE2 3.78Å
504Q31.2Very low32.2Very low153 Ų153149.4 Ų149.472%0.71579%0.785SS**  trans-95.4146.8-178.8175.2-175.2-18.100109.9
505E29Very low32.4Very low149 Ų149146.9 Ų146.970%0.69678%0.777SS**  173.1119.2129.9-90.6155.4165.200111.8R503R503-E505 IonicContact NH2-OE2 3.78Å
506D31.4Very low32.5Very low128 Ų128151.4 Ų151.468%0.68479%0.785SS**  trans34.5112.8153.1-51.5-28.3000123
507V32.4Very low33.2Very low147 Ų147150.7 Ų150.789%0.89179%0.789SS**  trans-128.5129132.3-179.80000107.7R509V507-R509 PolarHBondContact O-N 3Å
508H32.5Very low34.1Very low174 Ų174147.5 Ų147.581%0.80679%0.786SS**  trans-67.1117.7-177.4-71.5-85.9000111.8A510H508-A510 PolarHBondContact O-N 3.42Å
509R30.6Very low34.8Very low241 Ų241149 Ų14991%0.90979%0.785SS**  trans-70.197161.5174.9178.8-85.3-168.8-7.2108.6V507V507-R509 PolarHBondContact O-N 3Å
510A29.8Very low36Very low87 Ų87150.6 Ų150.672%0.71978%0.784SS**  trans-63.5132.9160.800000109.2H508H508-A510 PolarHBondContact O-N 3.42Å
511S32.3Very low36.4Very low95 Ų95152.3 Ų152.366%0.66478%0.782SS**  trans-67.5146.3165.4-61.90000109.4Q513S511-Q513 PolarHBondContact O-N 3.05Å
512P38.3Very low38.7Very low132 Ų132149.1 Ų149.186%0.85777%0.769SS**  trans-62.2109.1165.927.3-32.4000108.1
513Q32.1Very low40.7Very low186 Ų186146.5 Ų146.587%0.86975%0.749SS**  trans-70.3139.9170.2-73.7-159.4-13.400109.2S511 G515S511-Q513 PolarHBondContact O-N 3.05Å; Q513-G515 PolarHBondContact O-N 3.4Å
514R43.1Very low42.5Very low245 Ų245140.2 Ų140.293%0.92573%0.729SS**  trans-68.397.2171.7176-168.1-66.4-110.6-0.9108
515G32.4Very low44.3Very low63 Ų63140.6 Ų140.665%0.64973%0.725SS**  trans-66.2157.2164.100000111.2Q513Q513-G515 PolarHBondContact O-N 3.4Å
516E33.8Very low46.1Very low172 Ų172139.9 Ų139.980%0.80472%0.717SS**  trans-69.8157.7170-73.9175.290.400111.2S518E516-S518 PolarHBondContact O-N 3.49Å
517P46.3Very low47.9Very low127 Ų127146.4 Ų146.483%0.82573%0.732SS**  trans-77.257.1178.834.8-37.1000111.8D519P517-D519 VanDerWaalsContact C-N 3.29Å; P517-D519 PolarHBondContact O-N 3.29Å
518S47Very low49.7Very low106 Ų106142.8 Ų142.874%0.74172%0.724SS**  trans-93.347.1179.7-59.20000112.6E516E516-S518 PolarHBondContact O-N 3.49Å
519D45.6Very low51.8Low142 Ų142136.4 Ų136.476%0.75970%0.697SS**  -154.8145.2123.1-152.3-15.6000109.7P517 Q521P517-D519 VanDerWaalsContact C-N 3.29Å; P517-D519 PolarHBondContact O-N 3.29Å; D519-Q521 PolarHBondContact O-N 3.43Å
520R51.6Low54Low220 Ų220128.6 Ų128.683%0.8368%0.678SS**  trans-87.394.3163-77.7-172.6177.4-132.32.7106.1T522R520-T522 VanDerWaalsContact C-N 3.3Å; R520-T522 WeakPolarHBondContact O-CA 3.46Å; R520-T522 PolarHBondContact O-N 3.47Å; R520-T522 PolarHBondContact O-OG1 3.18Å
521Q60.4Low56.4Low141 Ų141133.5 Ų133.566%0.65968%0.683SS**  trans-44.294.7174.6-174.185.249.700109.9D519 V523D519-Q521 PolarHBondContact O-N 3.43Å; Q521-V523 HydrophobicContact CG-CG2 4.45Å; Q521-V523 PolarHBondContact O-N 2.78Å; Q521-V523 VanDerWaalsContact O-N 3.15Å
522T75.5Confident58.8Low86 Ų86130.2 Ų130.253%0.52866%0.66SS.*  trans-89.194-170.6-68.60000105.9R520 H524R520-T522 VanDerWaalsContact C-N 3.3Å; R520-T522 WeakPolarHBondContact O-CA 3.46Å; R520-T522 PolarHBondContact O-N 3.47Å; R520-T522 PolarHBondContact O-OG1 3.18Å; T522-H524 PolarHBondContact O-CD2 2.95Å; T522-H524 PolarHBondContact O-N 3.27Å; T522-H524 VanDerWaalsContact O-N 3.11Å; T522-H524 PolarHBondContact O-NE2 3.36Å
523V68.8Low61.1Low54 Ų54126.7 Ų126.733%0.32764%0.637SS.*  trans-69.1108.6-174.8-176.60000108.6Q521 Y525 P538Q521-V523 HydrophobicContact CG-CG2 4.45Å; Q521-V523 PolarHBondContact O-N 2.78Å; Q521-V523 VanDerWaalsContact O-N 3.15Å; V523-Y525 HydrophobicContact CB-CD2 4.44Å; V523-Y525 HydrophobicContact CB-CE2 3.9Å; V523-Y525 HydrophobicContact CG1-CD2 4Å; V523-Y525 HydrophobicContact CG1-CE1 4.37Å; V523-Y525 HydrophobicContact CG1-CE2 3.37Å; V523-Y525 WeakPolarHBondContact O-CD2 3.42Å; V523-Y525 PolarHBondContact O-N 3.36Å; V523-Y525 VanDerWaalsContact O-N 3.15Å; V523-P538 HydrophobicContact CG1-CB 3.55Å; V523-P538 HydrophobicContact CG1-CG 3.49Å; V523-P538 VanDerWaalsContact CG1-CG 3.49Å
524H68.5Low63.5Low97 Ų97130.2 Ų130.245%0.44964%0.643SS.*  trans-84.196.3-173.1-70.3-81.4000110.5T522 Y526 D539T522-H524 PolarHBondContact O-CD2 2.95Å; T522-H524 PolarHBondContact O-N 3.27Å; T522-H524 VanDerWaalsContact O-N 3.11Å; T522-H524 PolarHBondContact O-NE2 3.36Å; H524-Y526 HydrophobicContact CB-CD2 4.29Å; H524-Y526 HydrophobicContact CB-CE2 3.5Å; H524-Y526 WeakPolarHBondContact O-CD2 3.42Å; H524-Y526 WeakPolarHBondContact O-CE2 3.28Å; H524-D539 PolarHBondContact N-OD1 3.36Å
525Y69Low65.3Low160 Ų160122.5 Ų122.563%0.62764%0.64SS**  trans-84.4114.6169.7-66.1-81.5000110.1V523 P538V523-Y525 HydrophobicContact CB-CD2 4.44Å; V523-Y525 HydrophobicContact CB-CE2 3.9Å; V523-Y525 HydrophobicContact CG1-CD2 4Å; V523-Y525 HydrophobicContact CG1-CE1 4.37Å; V523-Y525 HydrophobicContact CG1-CE2 3.37Å; V523-Y525 WeakPolarHBondContact O-CD2 3.42Å; V523-Y525 PolarHBondContact O-N 3.36Å; V523-Y525 VanDerWaalsContact O-N 3.15Å; Y525-P538 HydrophobicContact CE1-CB 4.33Å
526Y66.4Low67.7Low135 Ų135124.4 Ų124.453%0.52964%0.635SS.*  trans-94.3138.6176.6-62.8-99.9000110.1H524 V529 T542H524-Y526 HydrophobicContact CB-CD2 4.29Å; H524-Y526 HydrophobicContact CB-CE2 3.5Å; H524-Y526 WeakPolarHBondContact O-CD2 3.42Å; H524-Y526 WeakPolarHBondContact O-CE2 3.28Å; Y526-V529 WeakPolarHBondContact O-CB 3.26Å; Y526-V529 PolarHBondContact O-N 2.9Å; Y526-T542 HydrophobicContact CD2-CG2 3.5Å; Y526-T542 VanDerWaalsContact CD2-CG2 3.5Å; Y526-T542 HydrophobicContact CE2-CG2 3.76Å; Y526-T542 HydrophobicContact CG-CG2 4.27Å
527W68.5Low70.2Confident265 Ų265119.2 Ų119.2100%1.00461%0.612SS**THydrogen-bonded Turntrans-60.9139.5177.7-172.8-110.4000111V529W527-V529 VanDerWaalsContact C-N 3.26Å; W527-V529 PolarHBondContact O-N 2.91Å
528G70.7Confident72.1Confident71 Ų71114.1 Ų114.173%0.73258%0.579SS**THydrogen-bonded Turntrans80.4-11.4-174.700000115.9
529V77.3Confident73.9Confident39 Ų39110.3 Ų110.324%0.23655%0.55CS.*PPolyproline II helixtrans-78.8126.4171.5177.40000109.3Y526 W527 Y541 T542 I545Y526-V529 WeakPolarHBondContact O-CB 3.26Å; Y526-V529 PolarHBondContact O-N 2.9Å; W527-V529 VanDerWaalsContact C-N 3.26Å; W527-V529 PolarHBondContact O-N 2.91Å; V529-Y541 HydrophobicContact CG1-CD1 4.41Å; V529-Y541 HydrophobicContact CG1-CE1 4.41Å; V529-T542 HydrophobicContact CG2-CG2 4.44Å; V529-I545 HydrophobicContact CG1-CD1 3.83Å
530P77.6Confident75.9Confident77 Ų77107.1 Ų107.150%0.554%0.536SS..PPolyproline II helixtrans-56.5155.6175.5-27.535.7000113.5C532 Y541P530-C532 PolarHBondContact O-N 3.47Å; P530-Y541 WeakPolarHBondContact O-CE1 3.35Å
531F78.4Confident77.7Confident190 Ų19099.4 Ų99.483%0.83351%0.507SS*.PPolyproline II helixtrans-58.5124.4177.3-68.2-72.6000111.8
532C84.4Confident79.1Confident26 Ų2693.2 Ų93.218%0.17648%0.48CS..PPolyproline II helixtrans-56.1129.1-179.6-174.40000111.6P530 R534 L536 P538 Y541P530-C532 PolarHBondContact O-N 3.47Å; C532-R534 PolarHBondContact O-N 2.92Å; C532-L536 PolarHBondContact SG-O 3.09Å; C532-L536 VanDerWaalsContact SG-O 3.38Å; C532-P538 HydrophobicContact CB-CB 3.88Å; C532-P538 HydrophobicContact CB-CG 3.83Å; C532-Y541 HydrophobicContact CB-CD1 3.96Å; C532-Y541 HydrophobicContact CB-CG 4.31Å; C532-Y541 VanDerWaalsContact SG-CB 3.6Å
533P85.6Confident79.7Confident59 Ų5995.6 Ų95.638%0.38348%0.483SS..PPolyproline II helixtrans-57.3136176.3-26.334.6000112.8G535 L536 Y541P533-G535 PolarHBondContact O-N 3.25Å; P533-G535 VanDerWaalsContact O-N 3.13Å; P533-L536 HydrophobicContact CB-CD1 4.02Å; P533-L536 HydrophobicContact CB-CG 4.38Å; P533-L536 HydrophobicContact CG-CD1 4.04Å; P533-L536 PolarHBondContact O-N 3.42Å; P533-Y541 VanDerWaalsContact CD-CE2 3.45Å; P533-Y541 HydrophobicContact CG-CD2 4.42Å; P533-Y541 HydrophobicContact CG-CE2 3.94Å
534R82.3Confident80.8Confident259 Ų25997.6 Ų97.698%0.97749%0.494SS*.THydrogen-bonded Turntrans-52.4119.4-179.9-82.3-174.1-83.3-106.7-0.1111.8C532C532-R534 PolarHBondContact O-N 2.92Å
535G80.5Confident81.9Confident84 Ų8495.3 Ų95.387%0.86649%0.485SS*.THydrogen-bonded Turntrans97.7-1.6179.600000114.9P533P533-G535 PolarHBondContact O-N 3.25Å; P533-G535 VanDerWaalsContact O-N 3.13Å
536L83.6Confident82.8Confident103 Ų10390.8 Ų90.854%0.53947%0.474SS..SBendtrans-96.9150.1165.4-61.4-177.3000110.8C532 P533 Y541C532-L536 PolarHBondContact SG-O 3.09Å; C532-L536 VanDerWaalsContact SG-O 3.38Å; P533-L536 HydrophobicContact CB-CD1 4.02Å; P533-L536 HydrophobicContact CB-CG 4.38Å; P533-L536 HydrophobicContact CG-CD1 4.04Å; P533-L536 PolarHBondContact O-N 3.42Å; L536-Y541 HydrophobicContact CD1-CD2 4.32Å
537D86Confident84.1Confident63 Ų6386.6 Ų86.634%0.33747%0.467SS..  trans-72.7123.3170.5166.648.5000110.3D539 T540 Y541D537-D539 VanDerWaalsContact C-N 3.33Å; D537-D539 PolarHBondContact O-N 2.92Å; D537-D539 PolarHBondContact OD1-N 2.62Å; D537-T540 PolarHBondContact O-N 3.42Å; D537-T540 WeakPolarHBondContact OD2-CB 3.46Å; D537-T540 PolarHBondContact OD2-N 2.89Å; D537-T540 PolarHBondContact OD2-OG1 3.45Å; D537-Y541 WeakPolarHBondContact O-CB 3.32Å; D537-Y541 PolarHBondContact O-N 3.1Å
538P85.9Confident85.4Confident20 Ų2078 Ų7813%0.1344%0.438CS..Hα-helixtrans-65.8-29.3-177.3-24.337.5000114.6V523 Y525 C532 Y541 T542V523-P538 HydrophobicContact CG1-CB 3.55Å; V523-P538 HydrophobicContact CG1-CG 3.49Å; V523-P538 VanDerWaalsContact CG1-CG 3.49Å; Y525-P538 HydrophobicContact CE1-CB 4.33Å; C532-P538 HydrophobicContact CB-CB 3.88Å; C532-P538 HydrophobicContact CB-CG 3.83Å; P538-Y541 PolarHBondContact O-N 3.05Å; P538-T542 WeakPolarHBondContact O-CB 3.47Å; P538-T542 PolarHBondContact O-N 2.92Å; P538-T542 PolarHBondContact O-OG1 3.43Å
539D85.8Confident86.5Confident25 Ų2580.8 Ų80.813%0.13443%0.434CS..Hα-helixtrans-69.8-40.9177.1-58-21.5000110H524 D537 K543H524-D539 PolarHBondContact N-OD1 3.36Å; D537-D539 VanDerWaalsContact C-N 3.33Å; D537-D539 PolarHBondContact O-N 2.92Å; D537-D539 PolarHBondContact OD1-N 2.62Å; D539-K543 WeakPolarHBondContact O-CD 3.28Å; D539-K543 VanDerWaalsContact O-CG 3.24Å; D539-K543 WeakPolarHBondContact O-CG 3.37Å; D539-K543 PolarHBondContact O-N 3.14Å
540T87.8Confident87.4Confident76 Ų7683.1 Ų83.147%0.46644%0.442SS..Hα-helixtrans-65.7-42.3172-61.80000112.1D537 K543 V544D537-T540 PolarHBondContact O-N 3.42Å; D537-T540 WeakPolarHBondContact OD2-CB 3.46Å; D537-T540 PolarHBondContact OD2-N 2.89Å; D537-T540 PolarHBondContact OD2-OG1 3.45Å; T540-K543 PolarHBondContact O-N 3.34Å; T540-V544 WeakPolarHBondContact O-CG2 3.45Å; T540-V544 PolarHBondContact O-N 2.87Å; T540-V544 VanDerWaalsContact O-N 3.16Å
541Y89.1Confident88.3Confident57 Ų5783 Ų8322%0.22444%0.44CS..Hα-helixtrans-62.1-42.9176.3-176.5-108.6000111.8V529 P530 C532 P533 L536 D537 P538 V544 I545V529-Y541 HydrophobicContact CG1-CD1 4.41Å; V529-Y541 HydrophobicContact CG1-CE1 4.41Å; P530-Y541 WeakPolarHBondContact O-CE1 3.35Å; C532-Y541 HydrophobicContact CB-CD1 3.96Å; C532-Y541 HydrophobicContact CB-CG 4.31Å; C532-Y541 VanDerWaalsContact SG-CB 3.6Å; P533-Y541 VanDerWaalsContact CD-CE2 3.45Å; P533-Y541 HydrophobicContact CG-CD2 4.42Å; P533-Y541 HydrophobicContact CG-CE2 3.94Å; L536-Y541 HydrophobicContact CD1-CD2 4.32Å; D537-Y541 WeakPolarHBondContact O-CB 3.32Å; D537-Y541 PolarHBondContact O-N 3.1Å; P538-Y541 PolarHBondContact O-N 3.05Å; Y541-V544 PolarHBondContact O-N 2.89Å; Y541-I545 HydrophobicContact CD1-CD1 3.79Å; Y541-I545 HydrophobicContact CE1-CD1 3.33Å; Y541-I545 HydrophobicContact CE2-CD1 4.21Å; Y541-I545 HydrophobicContact CG-CD1 4.41Å; Y541-I545 PolarHBondContact O-N 3.43Å
542T88.8Confident89.2Confident12 Ų1281.4 Ų81.47%0.07443%0.43CS..Hα-helixtrans-59.9-47.5173.6-61.10000111.6Y526 V529 P538 V544 I545 V546Y526-T542 HydrophobicContact CD2-CG2 3.5Å; Y526-T542 VanDerWaalsContact CD2-CG2 3.5Å; Y526-T542 HydrophobicContact CE2-CG2 3.76Å; Y526-T542 HydrophobicContact CG-CG2 4.27Å; V529-T542 HydrophobicContact CG2-CG2 4.44Å; P538-T542 WeakPolarHBondContact O-CB 3.47Å; P538-T542 PolarHBondContact O-N 2.92Å; P538-T542 PolarHBondContact O-OG1 3.43Å; T542-V544 VanDerWaalsContact C-N 3.27Å; T542-V544 PolarHBondContact O-N 3.16Å; T542-I545 PolarHBondContact O-N 3.13Å; T542-V546 HydrophobicContact CG2-CG2 4.19Å; T542-V546 WeakPolarHBondContact O-CG2 3.35Å; T542-V546 PolarHBondContact O-N 2.94Å
543K89.4Confident89.8Confident136 Ų13684.8 Ų84.859%0.59144%0.443SS*.Hα-helixtrans-57-39.4178.7-73158.8-170.1160.60112.4D539 T540 A547D539-K543 WeakPolarHBondContact O-CD 3.28Å; D539-K543 VanDerWaalsContact O-CG 3.24Å; D539-K543 WeakPolarHBondContact O-CG 3.37Å; D539-K543 PolarHBondContact O-N 3.14Å; T540-K543 PolarHBondContact O-N 3.34Å; K543-A547 WeakPolarHBondContact O-CB 3.4Å; K543-A547 PolarHBondContact O-N 3.21Å
544V92Very high90.3Very high95 Ų9587.4 Ų87.458%0.57645%0.448SS*.Hα-helixtrans-63.8-40.3174.7172.40000111.6T540 Y541 T542 Q548T540-V544 WeakPolarHBondContact O-CG2 3.45Å; T540-V544 PolarHBondContact O-N 2.87Å; T540-V544 VanDerWaalsContact O-N 3.16Å; Y541-V544 PolarHBondContact O-N 2.89Å; T542-V544 VanDerWaalsContact C-N 3.27Å; T542-V544 PolarHBondContact O-N 3.16Å; V544-Q548 VanDerWaalsContact O-CB 3.28Å; V544-Q548 WeakPolarHBondContact O-CB 3.23Å; V544-Q548 PolarHBondContact O-N 2.82Å
545I90.8Very high90.9Very high49 Ų4978.1 Ų78.125%0.25142%0.423SS..Hα-helixtrans-71.1-43-179.9-71.7166.3000111.8V529 Y541 T542 Q548 M549V529-I545 HydrophobicContact CG1-CD1 3.83Å; Y541-I545 HydrophobicContact CD1-CD1 3.79Å; Y541-I545 HydrophobicContact CE1-CD1 3.33Å; Y541-I545 HydrophobicContact CE2-CD1 4.21Å; Y541-I545 HydrophobicContact CG-CD1 4.41Å; Y541-I545 PolarHBondContact O-N 3.43Å; T542-I545 PolarHBondContact O-N 3.13Å; I545-Q548 PolarHBondContact O-N 3.16Å; I545-M549 WeakPolarHBondContact O-CB 3.19Å; I545-M549 PolarHBondContact O-N 2.99Å
546V89Confident91.7Very high65 Ų6578.8 Ų78.839%0.39441%0.406SS..Hα-helixtrans-60.8-48.1174.9175.10000110.5T542 Q548 M549 E550T542-V546 HydrophobicContact CG2-CG2 4.19Å; T542-V546 WeakPolarHBondContact O-CG2 3.35Å; T542-V546 PolarHBondContact O-N 2.94Å; V546-Q548 VanDerWaalsContact C-N 3.31Å; V546-Q548 PolarHBondContact O-N 3.31Å; V546-M549 WeakPolarHBondContact O-CB 3.34Å; V546-M549 PolarHBondContact O-N 3.05Å; V546-M549 VanDerWaalsContact O-N 3.09Å; V546-E550 PolarHBondContact O-N 3.4Å
547A93.7Very high92.2Very high47 Ų4778.2 Ų78.239%0.38840%0.399SS..Hα-helixtrans-61.3-37.7176.400000112.7K543 M549 E550 V551K543-A547 WeakPolarHBondContact O-CB 3.4Å; K543-A547 PolarHBondContact O-N 3.21Å; A547-M549 VanDerWaalsContact C-N 3.34Å; A547-E550 PolarHBondContact O-N 3.4Å; A547-V551 WeakPolarHBondContact O-CG2 3.39Å; A547-V551 PolarHBondContact O-N 3.38Å
548Q94.6Very high92.5Very high84 Ų8481.9 Ų81.939%0.39341%0.414SS..Hα-helixtrans-66.9-35.4174.7-177.857.278.100112.2V544 I545 V546 V551 Y552V544-Q548 VanDerWaalsContact O-CB 3.28Å; V544-Q548 WeakPolarHBondContact O-CB 3.23Å; V544-Q548 PolarHBondContact O-N 2.82Å; I545-Q548 PolarHBondContact O-N 3.16Å; V546-Q548 VanDerWaalsContact C-N 3.31Å; V546-Q548 PolarHBondContact O-N 3.31Å; Q548-V551 PolarHBondContact O-N 3Å; Q548-Y552 HydrophobicContact CG-CD2 4.18Å; Q548-Y552 HydrophobicContact CG-CE2 3.68Å; Q548-Y552 WeakPolarHBondContact O-CD2 3.49Å; Q548-Y552 PolarHBondContact O-N 3.21Å; Q548-Y552 VanDerWaalsContact O-N 3.1Å
549M94Very high92.6Very high131 Ų13184 Ų8465%0.64543%0.434SS*.Hα-helixtrans-69.4-41.8175.5-164.7169.972.800111.7I545 V546 A547 V551 Y552 E553I545-M549 WeakPolarHBondContact O-CB 3.19Å; I545-M549 PolarHBondContact O-N 2.99Å; V546-M549 WeakPolarHBondContact O-CB 3.34Å; V546-M549 PolarHBondContact O-N 3.05Å; V546-M549 VanDerWaalsContact O-N 3.09Å; A547-M549 VanDerWaalsContact C-N 3.34Å; M549-V551 VanDerWaalsContact C-N 3.32Å; M549-V551 PolarHBondContact O-N 2.9Å; M549-Y552 PolarHBondContact O-N 3.28Å; M549-E553 PolarHBondContact O-N 3.34Å
550E96Very high92.6Very high87 Ų8787.4 Ų87.441%0.40745%0.449SS..Hα-helixtrans-57.4-42.2170.4-75.5-176.2-12600112.5V546 A547 E553 K554V546-E550 PolarHBondContact O-N 3.4Å; A547-E550 PolarHBondContact O-N 3.4Å; E550-E553 PolarHBondContact O-N 3.4Å; E550-K554 WeakPolarHBondContact O-CB 3.36Å; E550-K554 WeakPolarHBondContact O-CD 3.5Å; E550-K554 WeakPolarHBondContact O-CG 3.22Å; E550-K554 PolarHBondContact O-N 3.03Å; E550-K554 IonicContact OE2-NZ 2.77Å; E550-K554 PolarHBondContact OE2-NZ 2.62Å
551V97.8Very high92.5Very high76 Ų7692.9 Ų92.946%0.46146%0.461SS..Hα-helixtrans-62.7-45177.4167.20000110.5A547 Q548 M549 E553 K554 S555A547-V551 WeakPolarHBondContact O-CG2 3.39Å; A547-V551 PolarHBondContact O-N 3.38Å; Q548-V551 PolarHBondContact O-N 3Å; M549-V551 VanDerWaalsContact C-N 3.32Å; M549-V551 PolarHBondContact O-N 2.9Å; V551-E553 PolarHBondContact O-N 2.86Å; V551-K554 PolarHBondContact O-N 3.16Å; V551-S555 WeakPolarHBondContact O-CB 3.46Å; V551-S555 PolarHBondContact O-N 3.41Å; V551-S555 PolarHBondContact O-OG 3.39Å
552Y96.6Very high91.6Very high156 Ų15692.2 Ų92.261%0.61247%0.472SS*.Hα-helixtrans-61.6-41.8174.9-72.4-51.3000112.4Q548 M549 S555 L556Q548-Y552 HydrophobicContact CG-CD2 4.18Å; Q548-Y552 HydrophobicContact CG-CE2 3.68Å; Q548-Y552 WeakPolarHBondContact O-CD2 3.49Å; Q548-Y552 PolarHBondContact O-N 3.21Å; Q548-Y552 VanDerWaalsContact O-N 3.1Å; M549-Y552 PolarHBondContact O-N 3.28Å; Y552-S555 PolarHBondContact O-N 3.27Å; Y552-L556 WeakPolarHBondContact O-CB 3.5Å; Y552-L556 PolarHBondContact O-N 2.9Å
553E96.5Very high90.9Very high96 Ų9698.9 Ų98.945%0.44951%0.506SS..Hα-helixtrans-63.4-44.1177.7-160.9-150.7-163.500111.9M549 E550 V551 L556 K557M549-E553 PolarHBondContact O-N 3.34Å; E550-E553 PolarHBondContact O-N 3.4Å; V551-E553 PolarHBondContact O-N 2.86Å; E553-L556 PolarHBondContact O-N 3Å; E553-K557 VanDerWaalsContact CD-CE 3.49Å; E553-K557 HydrophobicContact CG-CD 4.42Å; E553-K557 WeakPolarHBondContact O-CG 3.32Å; E553-K557 PolarHBondContact O-N 3.01Å; E553-K557 VanDerWaalsContact OE1-CE 3.23Å; E553-K557 WeakPolarHBondContact OE1-CE 3.4Å; E553-K557 IonicContact OE1-NZ 2.62Å; E553-K557 PolarHBondContact OE1-NZ 2.91Å; E553-K557 IonicContact OE2-NZ 2.62Å; E553-K557 PolarHBondContact OE2-NZ 3.25Å
554K96.6Very high89.5Confident114 Ų11499.2 Ų99.250%0.49651%0.513SS..Hα-helixtrans-63.3-47.3177.7-70.3161.5-166.8170.50111.1E550 V551 L556 K557 E558E550-K554 WeakPolarHBondContact O-CB 3.36Å; E550-K554 WeakPolarHBondContact O-CD 3.5Å; E550-K554 WeakPolarHBondContact O-CG 3.22Å; E550-K554 PolarHBondContact O-N 3.03Å; E550-K554 IonicContact OE2-NZ 2.77Å; E550-K554 PolarHBondContact OE2-NZ 2.62Å; V551-K554 PolarHBondContact O-N 3.16Å; K554-L556 PolarHBondContact O-N 3.44Å; K554-K557 PolarHBondContact O-N 2.92Å; K554-E558 PolarHBondContact O-N 3.47Å
555S95.6Very high88.4Confident64 Ų64104.6 Ų104.645%0.44852%0.523SS..Hα-helixtrans-65.5-34.7175.6-64.90000113.3V551 Y552 E558 A559V551-S555 WeakPolarHBondContact O-CB 3.46Å; V551-S555 PolarHBondContact O-N 3.41Å; V551-S555 PolarHBondContact O-OG 3.39Å; Y552-S555 PolarHBondContact O-N 3.27Å; S555-E558 PolarHBondContact O-N 3.29Å; S555-A559 WeakPolarHBondContact O-CB 3.44Å; S555-A559 PolarHBondContact O-N 3.32Å
556L95.8Very high87.1Confident98 Ų98111.3 Ų111.351%0.51355%0.551SS.*Hα-helixtrans-65.5-4717517962000111.2Y552 E553 K554 E558 A559 Q560Y552-L556 WeakPolarHBondContact O-CB 3.5Å; Y552-L556 PolarHBondContact O-N 2.9Å; E553-L556 PolarHBondContact O-N 3Å; K554-L556 PolarHBondContact O-N 3.44Å; L556-E558 VanDerWaalsContact C-N 3.29Å; L556-E558 PolarHBondContact O-N 3.29Å; L556-A559 PolarHBondContact O-N 3.42Å; L556-Q560 HydrophobicContact CD1-CG 4.43Å; L556-Q560 WeakPolarHBondContact O-CB 3.36Å; L556-Q560 VanDerWaalsContact O-CG 3.25Å; L556-Q560 WeakPolarHBondContact O-CG 3.41Å; L556-Q560 PolarHBondContact O-N 3.4Å
557K94.3Very high86Confident91 Ų91112.1 Ų112.140%0.39656%0.564SS.*Hα-helixtrans-60.9-37175.2-72.3171.1-177.9169.10111.7E553 K554 R561E553-K557 VanDerWaalsContact CD-CE 3.49Å; E553-K557 HydrophobicContact CG-CD 4.42Å; E553-K557 WeakPolarHBondContact O-CG 3.32Å; E553-K557 PolarHBondContact O-N 3.01Å; E553-K557 VanDerWaalsContact OE1-CE 3.23Å; E553-K557 WeakPolarHBondContact OE1-CE 3.4Å; E553-K557 IonicContact OE1-NZ 2.62Å; E553-K557 PolarHBondContact OE1-NZ 2.91Å; E553-K557 IonicContact OE2-NZ 2.62Å; E553-K557 PolarHBondContact OE2-NZ 3.25Å; K554-K557 PolarHBondContact O-N 2.92Å; K557-R561 VanDerWaalsContact O-CG 3.26Å; K557-R561 WeakPolarHBondContact O-CG 3.49Å; K557-R561 PolarHBondContact O-N 3.4Å
558E92.1Very high84.9Confident140 Ų140118.9 Ų118.965%0.65459%0.588SS**Hα-helixtrans-66.2-47.6174.1-171.7176.3-173.100112.4K554 S555 L556 Q560 R561 G562K554-E558 PolarHBondContact O-N 3.47Å; S555-E558 PolarHBondContact O-N 3.29Å; L556-E558 VanDerWaalsContact C-N 3.29Å; L556-E558 PolarHBondContact O-N 3.29Å; E558-Q560 VanDerWaalsContact C-N 3.32Å; E558-Q560 PolarHBondContact O-N 3.44Å; E558-R561 WeakPolarHBondContact O-CB 3.49Å; E558-R561 PolarHBondContact O-N 3.49Å; E558-G562 PolarHBondContact O-N 2.83Å; E558-G562 VanDerWaalsContact O-N 3.09Å
559A88.3Confident83.3Confident66 Ų66126.6 Ų126.655%0.54561%0.613SS.*Hα-helixtrans-60.5-40.9176.300000112.2S555 L556 G562 L563S555-A559 WeakPolarHBondContact O-CB 3.44Å; S555-A559 PolarHBondContact O-N 3.32Å; L556-A559 PolarHBondContact O-N 3.42Å; A559-G562 WeakPolarHBondContact O-CA 3.48Å; A559-G562 PolarHBondContact O-N 2.92Å; A559-G562 VanDerWaalsContact O-N 3.16Å; A559-L563 PolarHBondContact O-N 3.08Å
560Q86.9Confident82.4Confident95 Ų95123.5 Ų123.544%0.44462%0.615SS.*Hα-helixtrans-62.4-41.4174.5-73.3170.4-8.500112.4L556 E558 G562 L563 L564L556-Q560 HydrophobicContact CD1-CG 4.43Å; L556-Q560 WeakPolarHBondContact O-CB 3.36Å; L556-Q560 VanDerWaalsContact O-CG 3.25Å; L556-Q560 WeakPolarHBondContact O-CG 3.41Å; L556-Q560 PolarHBondContact O-N 3.4Å; E558-Q560 VanDerWaalsContact C-N 3.32Å; E558-Q560 PolarHBondContact O-N 3.44Å; Q560-G562 PolarHBondContact O-N 3.27Å; Q560-L563 PolarHBondContact O-N 3.2Å; Q560-L563 VanDerWaalsContact O-N 3.16Å; Q560-L564 WeakPolarHBondContact O-CG 3.36Å; Q560-L564 PolarHBondContact O-N 3.46Å
561R85.5Confident81Confident192 Ų192128.3 Ų128.373%0.72564%0.638SS**Hα-helixtrans-60.5-34172.8-73.4165.7177.2-174.5-1.3112.2K557 E558 R565K557-R561 VanDerWaalsContact O-CG 3.26Å; K557-R561 WeakPolarHBondContact O-CG 3.49Å; K557-R561 PolarHBondContact O-N 3.4Å; E558-R561 WeakPolarHBondContact O-CB 3.49Å; E558-R561 PolarHBondContact O-N 3.49Å; R561-R565 WeakPolarHBondContact O-CG 3.25Å
562G70Confident79.6Confident43 Ų43129.1 Ų129.144%0.44365%0.652SS.*Hα-helixtrans-66.2-46.3171.500000112.9E558 A559 Q560 R565E558-G562 PolarHBondContact O-N 2.83Å; E558-G562 VanDerWaalsContact O-N 3.09Å; A559-G562 WeakPolarHBondContact O-CA 3.48Å; A559-G562 PolarHBondContact O-N 2.92Å; A559-G562 VanDerWaalsContact O-N 3.16Å; Q560-G562 PolarHBondContact O-N 3.27Å; G562-R565 PolarHBondContact O-N 2.8Å
563L72.9Confident77.8Confident152 Ų152129.6 Ų129.680%0.79666%0.663SS**Hα-helixtrans-70.3-34-176.2-172.263000113.6A559 Q560 R565A559-L563 PolarHBondContact O-N 3.08Å; Q560-L563 PolarHBondContact O-N 3.2Å; Q560-L563 VanDerWaalsContact O-N 3.16Å; L563-R565 PolarHBondContact O-N 2.92Å
564L61.7Low75.9Confident143 Ų143133.1 Ų133.175%0.74968%0.68SS**THydrogen-bonded Turntrans-78.10.7179.9-68.6175.4000114.3Q560 K566Q560-L564 WeakPolarHBondContact O-CG 3.36Å; Q560-L564 PolarHBondContact O-N 3.46Å; L564-K566 PolarHBondContact O-N 3.4Å
565R67.8Low73.9Confident207 Ų207133.3 Ų133.378%0.78169%0.693SS**SBendtrans-71.294.5169.9-63.1-150.7-59.6-141.90.8109.8R561 G562 L563 A567R561-R565 WeakPolarHBondContact O-CG 3.25Å; G562-R565 PolarHBondContact O-N 2.8Å; L563-R565 PolarHBondContact O-N 2.92Å; R565-A567 PolarHBondContact O-N 3.37Å; R565-A567 VanDerWaalsContact O-N 3.16Å
566K62.6Low71.3Confident191 Ų191137 Ų13783%0.8370%0.703SS**  trans-42.7120.7172.3-63.4179.3-174.5179.40109.7L564L564-K566 PolarHBondContact O-N 3.4Å
567A67.8Low68.7Low81 Ų81136.9 Ų136.967%0.66971%0.708SS**PPolyproline II helixtrans-54.7141.9165.400000108.8R565 W569R565-A567 PolarHBondContact O-N 3.37Å; R565-A567 VanDerWaalsContact O-N 3.16Å; A567-W569 PolarHBondContact O-N 3.15Å; A567-W569 VanDerWaalsContact O-N 3.15Å
568E70.3Confident66Low190 Ų190141.9 Ų141.989%0.88873%0.733SS**PPolyproline II helixtrans-62.7119.3172.657.7-174.1178.600108.9G570E568-G570 PolarHBondContact O-N 3.49Å
569W60.8Low63.4Low245 Ų245143 Ų14393%0.92874%0.735SS**PPolyproline II helixtrans-66.5123.1175.9-72.980.3000107.7A567A567-W569 PolarHBondContact O-N 3.15Å; A567-W569 VanDerWaalsContact O-N 3.15Å
570G75Confident60.9Low66 Ų66145.7 Ų145.768%0.6875%0.75SS**PPolyproline II helixtrans-55.4155.3-176.200000112.9E568 A572E568-G570 PolarHBondContact O-N 3.49Å; G570-A572 PolarHBondContact O-N 3.4Å
571E66.9Low58.1Low189 Ų189150 Ų15088%0.88377%0.772SS**  trans-45.9126.1-173.3-171.7172.2-154.200112.2I573E571-I573 PolarHBondContact O-N 3.31Å
572A67.4Low55.4Low92 Ų92146.2 Ų146.276%0.7678%0.776SS**  trans-63.1109.8-166.600000111.6G570 Q574G570-A572 PolarHBondContact O-N 3.4Å; A572-Q574 VanDerWaalsContact C-N 3.29Å; A572-Q574 PolarHBondContact O-N 2.87Å
573I58.6Low54.1Low166 Ų166149.5 Ų149.585%0.85179%0.789SS**  trans-69.586.9179-53.8179000109.2E571 P575E571-I573 PolarHBondContact O-N 3.31Å; I573-P575 WeakPolarHBondContact O-CD 3.12Å
574Q57.7Low52Low171 Ų171151.7 Ų151.780%0.79980%0.795SS**  trans-69.2120.7176.5-175173.486.300109.4A572 E576A572-Q574 VanDerWaalsContact C-N 3.29Å; A572-Q574 PolarHBondContact O-N 2.87Å; Q574-E576 PolarHBondContact O-N 3.06Å; Q574-E576 VanDerWaalsContact O-N 3.12Å
575P53.1Low50.6Low117 Ų117151.1 Ų151.176%0.7680%0.798SS**  trans-68.6111.1176.627-32.6000109.5I573I573-P575 WeakPolarHBondContact O-CD 3.12Å
576E41.8Very low48.9Very low142 Ų142147.2 Ų147.266%0.66480%0.802SS**  trans-65.1128.9-175.9-159-168.9173.900110.6Q574 Q578 K579Q574-E576 PolarHBondContact O-N 3.06Å; Q574-E576 VanDerWaalsContact O-N 3.12Å; E576-Q578 PolarHBondContact O-N 3.42Å; E576-K579 IonicContact OE1-NZ 2.79Å; E576-K579 PolarHBondContact OE1-NZ 2.88Å
577P42.2Very low47.5Very low96 Ų96143.3 Ų143.362%0.62381%0.806SS**  trans-64.8122.4176.625.5-34.2000110.6K579P577-K579 PolarHBondContact O-N 3.11Å
578Q36.8Very low45.7Very low196 Ų196143 Ų14392%0.91681%0.81SS**  trans-58.9108-175.9-69.6-173.1-12.300112E576 S580E576-Q578 PolarHBondContact O-N 3.42Å; Q578-S580 PolarHBondContact O-N 2.82Å
579K38.1Very low43.9Very low162 Ų162139.3 Ų139.370%0.70481%0.806SS**  trans-75.4117.4167.2-67.6164.9-169.7133.40108.4E576 P577 M581E576-K579 IonicContact OE1-NZ 2.79Å; E576-K579 PolarHBondContact OE1-NZ 2.88Å; P577-K579 PolarHBondContact O-N 3.11Å; K579-M581 PolarHBondContact O-N 2.59Å
580S34.8Very low43Very low123 Ų123133.1 Ų133.186%0.8680%0.797SS**  trans-68.1119.6177.939.40000111.3Q578Q578-S580 PolarHBondContact O-N 2.82Å
581M28.5Very low41.1Very low185 Ų185137.6 Ų137.691%0.91180%0.8SS**  trans-93.6109.3168.3-73.4175.961.100109.6K579K579-M581 PolarHBondContact O-N 2.59Å
582S28.4Very low39.6Very low113 Ų113134.1 Ų134.179%0.7979%0.794SS**  trans-74145165.2-169.80000109.5
583P43.7Very low37.8Very low113 Ų113135 Ų13573%0.73479%0.793SS**  trans-86.8135.1-173.332.9-34.1000112.9
584E29.1Very low36.7Very low197 Ų197133.7 Ų133.792%0.92179%0.793SS**  trans-135.1166.3152-78.3-146.999.900109.8
585T32.1Very low35.5Very low131 Ų131131 Ų13180%0.80479%0.793SS**  trans-118.3147.4-15764.40000114.2
586S31.2Very low34.7Very low125 Ų125137.2 Ų137.287%0.87480%0.801SS**  trans-174.3155.9140.930.70000111.3
587A33.9Very low34.4Very low110 Ų110142 Ų14291%0.90981%0.813SS**  trans-84.2157-169.800000114.2
588G29.4Very low34.1Very low73 Ų73149.3 Ų149.375%0.75383%0.828SS**  trans168.477.9164.600000119.5
589S32.7Very low33.9Very low114 Ų114143.5 Ų143.580%0.79782%0.821SS**  trans62.4139.6151.2-1590000121.1
590P41.7Very low34.1Very low114 Ų114143.3 Ų143.374%0.7483%0.826SS**  trans-96.1127.5172.935.4-30.7000114
591Q34.6Very low34.2Very low161 Ų161149.4 Ų149.475%0.75283%0.831SS**  trans-148.5121.1165.8-96.3-61.9-46.500111.9C593Q591-C593 PolarHBondContact O-N 3.48Å
592P36.5Very low34.7Very low116 Ų116148.2 Ų148.275%0.75383%0.827SS**  trans-88.686.7177.134.1-32.6000112.1V594P592-V594 PolarHBondContact O-N 3.4Å
593C30.1Very low35Very low109 Ų109154.7 Ų154.774%0.73683%0.834SS**  trans-74.6112.5178.4-73.30000113Q591 S595Q591-C593 PolarHBondContact O-N 3.48Å; C593-S595 PolarHBondContact O-N 3.29Å
594V34.2Very low34.5Very low140 Ų140152.5 Ų152.585%0.84883%0.832SS**  trans-59.7116.3178-760000113.4P592 R596P592-V594 PolarHBondContact O-N 3.4Å; V594-R596 PolarHBondContact O-N 3.09Å
595S33.9Very low34.7Very low115 Ų115148.7 Ų148.780%0.80483%0.827SS**  trans-92.777.6-179.7-72.30000112.8C593 R597C593-S595 PolarHBondContact O-N 3.29Å; S595-R597 PolarHBondContact O-N 2.83Å; S595-R597 VanDerWaalsContact O-N 3.16Å
596R35.5Very low34.8Very low247 Ų247152.1 Ų152.193%0.93283%0.831SS**  trans-63.8103.5174.4-178.3-174.1-173.9-134.58.5111.4V594V594-R596 PolarHBondContact O-N 3.09Å
597R36.3Very low35Very low241 Ų241156.7 Ų156.791%0.90983%0.829SS**  trans-98115.8-177.5-149.3-172.5-64.4-119.89112.2S595S595-R597 PolarHBondContact O-N 2.83Å; S595-R597 VanDerWaalsContact O-N 3.16Å
598R35.3Very low34.7Very low251 Ų251156.9 Ų156.995%0.94782%0.824SS**  trans-154.8138.2164-161.9-178.2-143.1-128.45110.6
599G32.7Very low34.7Very low73 Ų73161.2 Ų161.275%0.75382%0.824SS**  trans116105.9165.100000115
600L41.9Very low34.6Very low158 Ų158160.3 Ų160.383%0.82782%0.824SS**  trans-68.7145.5160.6-69.870.8000109.4
601R36.5Very low34Very low252 Ų252159 Ų15995%0.95182%0.823SS**  trans-146.3131.2144-79-155.6164.5158.1-2.3111.5
602L39.8Very low33.7Very low160 Ų160158.6 Ų158.684%0.83883%0.826SS**  trans-83.3154.3170.8-80.466.6000111
603R35.2Very low33.2Very low249 Ų249161.7 Ų161.794%0.9483%0.828SS**  trans-150.9140.5159.2-109.6-176.5178-103.36.7107.2
604G32.8Very low33.1Very low67 Ų67164.3 Ų164.369%0.69183%0.834SS**  cis146.578.9-5.800000113.6
605S31.7Very low33.5Very low117 Ų117162.2 Ų162.282%0.81882%0.823SS**  trans-174145.8168.3-106.40000109.5
606K34.2Very low33.2Very low203 Ų203165.3 Ų165.388%0.88383%0.825SS**  cis-125.6-166.111.8-62.6178.2179.2171.70111.7
607R36.8Very low33Very low221 Ų221161.6 Ų161.683%0.83482%0.818SS**  trans-121.1149-166.1-62.4177.3170.3-1610.5115.4
608S27.4Very low33Very low113 Ų113158.7 Ų158.779%0.7982%0.815SS**  trans-177.7120.1136.647.40000106.8
609E29.3Very low33.2Very low164 Ų164155.7 Ų155.777%0.76681%0.811SS**  cis72.8114.843.4-157.7175.2155.500111.7
610A29.9Very low33.4Very low95 Ų95158.7 Ų158.779%0.78581%0.806SS**  cis-163.5-176.2-800000111.7
611A30.1Very low33.3Very low88 Ų88162.6 Ų162.673%0.72781%0.81SS**  trans102.4119.6159.400000121.2
612D28Very low33.2Very low152 Ų152158 Ų15881%0.81380%0.796SS**  trans69.4177.3136.8-56.4-30.8000124.1
613F26.3Very low33.1Very low181 Ų181157.3 Ų157.379%0.79479%0.794SS**  trans-124.4134.2-146-68.2-107.7000114.6
614L28Very low32.9Very low163 Ų163152.5 Ų152.585%0.85379%0.787SS**  trans60.1176.8157.3-60.1172000116.5
615P42.8Very low32.7Very low97 Ų97152.6 Ų152.663%0.6379%0.787SS**  -117.6-175.8-61.538.9-27.3000111.3
616E26.3Very low32.9Very low180 Ų180156.1 Ų156.184%0.84179%0.791SS**  trans65.2159.5162.8-88.8163.4156.300114.9
617E31.5Very low32.9Very low169 Ų169155.6 Ų155.679%0.7979%0.792SS**  cis-130.6-175.8-0.6-66.9-172126.500111.8
618E36.6Very low32.7Very low180 Ų180153.7 Ų153.784%0.84179%0.792SS**  trans-21.9155.5167.1-54178.3157.900122
619E38.7Very low33Very low187 Ų187157.8 Ų157.887%0.87480%0.799SS**  -156.3154.6108.7-101.1-150.6168.100112.1
620E38.2Very low33.1Very low136 Ų136158.4 Ų158.464%0.63680%0.802SS**  trans-67.2151.5-178.3-54-177134.200113.9K622E620-K622 WeakPolarHBondContact OE1-CE 3.14Å; E620-K622 IonicContact OE1-NZ 3.65Å; E620-K622 WeakPolarHBondContact OE2-CE 3.42Å; E620-K622 IonicContact OE2-NZ 2.83Å
621R39Very low33.1Very low240 Ų240163.5 Ų163.591%0.90681%0.809SS**  -139.7156.5113.6-68.3-156.8-175.5-80-22.2109.7
622K35.7Very low33.6Very low155 Ų155167.6 Ų167.667%0.67481%0.811SS**  trans-94.2161.7-158-62.8-174.6179-174.70114.3E620E620-K622 WeakPolarHBondContact OE1-CE 3.14Å; E620-K622 IonicContact OE1-NZ 3.65Å; E620-K622 WeakPolarHBondContact OE2-CE 3.42Å; E620-K622 IonicContact OE2-NZ 2.83Å
623D36.5Very low33.8Very low146 Ų146167.9 Ų167.978%0.78181%0.807SS**  trans-60.8177.9159.2-157.5-3.8000111.9
624D30.9Very low34.3Very low149 Ų149168.6 Ų168.680%0.79781%0.813SS**  trans143.2102151.3-72.5-23000113
625G28.6Very low34.8Very low68 Ų68169.9 Ų169.970%0.70181%0.814SS**  trans77.1140.6159.800000117.9
626E36.2Very low34.1Very low191 Ų191168.6 Ų168.689%0.89382%0.819SS**  cis57153.44-64.9-165.1-176.200118.2
627E33.7Very low34.3Very low193 Ų193167.3 Ų167.390%0.90282%0.818SS**  trans69.2146.2-163.3-58.2178.1-165.600113.4
628E32.2Very low34.6Very low180 Ų180167.4 Ų167.484%0.84182%0.816SS**  cis-121.8144.817.6-62.1167.2116.800114.3
629Q34.1Very low34.5Very low200 Ų200166.8 Ų166.894%0.93581%0.813SS**  trans-133.370.6150.6-82.2-164.8600109.1
630Q31.3Very low34.3Very low176 Ų176163.1 Ų163.182%0.82281%0.808SS**  trans-159106170.8-136.6173.6-4.800114.3
631E31Very low33.9Very low203 Ų203163.7 Ų163.795%0.94982%0.815SS**  trans-136.9111.6147.3-82.8-157.8149.800109.2
632K39.2Very low33.6Very low174 Ų174160.1 Ų160.176%0.75781%0.809SS**  trans-157.7141.1160.8-147.3-155.4168.7-153.30109.5
633E33.5Very low33.6Very low157 Ų157158.5 Ų158.573%0.73481%0.812SS**  trans74.7108.4166.2-59.5174-166.700118.1
634E35.9Very low33.6Very low197 Ų197160 Ų16092%0.92181%0.814SS**  trans-131.5137.1130.1-157.2-176.8-169.800108.5
635E39.7Very low34.2Very low189 Ų189161.3 Ų161.388%0.88382%0.818SS**  trans-75.6158.6168.1-62.5-178.7104.700109.7
636G28Very low34.4Very low71 Ų71165.2 Ų165.273%0.73282%0.822SS**  cis132.4132.61000000109.4
637N29.3Very low34.7Very low152 Ų152161.2 Ų161.281%0.81381%0.811SS**  trans-15896.9175.3-136.6-13.5000115
638K38.3Very low34.8Very low172 Ų172159.5 Ų159.575%0.74881%0.808SS**  trans49.5121.3133.8-68.6-168.2173.4-158.70123.1
639E34Very low35.1Very low166 Ų166157 Ų15778%0.77680%0.801SS**  88.5143.7117.2-163.4170171.800119.2
640S34Very low35Very low111 Ų111153.2 Ų153.278%0.77680%0.795SS**  trans63.2153.1-172.988.20000116.2
641D30.2Very low35.4Very low147 Ų147152.8 Ų152.879%0.78679%0.793SS**  cis-142.1173.8-5.7-148.1-10.1000111.1
642E34.2Very low35.5Very low165 Ų165149.2 Ų149.277%0.77179%0.785SS**  trans-93.2154-173.259.3-165.610000115.4
643V34.8Very low35.2Very low121 Ų121146.2 Ų146.273%0.73378%0.784SS**  trans68.1106.8166.3-166.10000117.9
644Q35.9Very low35.4Very low177 Ų177144.7 Ų144.783%0.82779%0.788SS**  -159.4131.8111.5-111.5171.7-30.600112.2
645M44.1Very low35.1Very low178 Ų178142.6 Ų142.688%0.87778%0.778SS**  trans-83.1140.7155.3-39.2-66.217400105.8
646D33.2Very low34.6Very low149 Ų149141.5 Ų141.580%0.79777%0.771SS**  trans-141.8157.9154.9-141.7-12.1000113.2
647T41.7Very low34.6Very low107 Ų107144.6 Ų144.666%0.65678%0.776SS**  trans-100.3134.1-167.3-16.90000108.9
648D35.8Very low34.6Very low157 Ų157145.9 Ų145.984%0.8478%0.777SS**  trans-166.9103.2153.1-87.8-34.6000102.6
649D38.2Very low34Very low128 Ų128143.8 Ų143.868%0.68478%0.778SS**  cis5790.144.7-157.211.1000112.9
650C33.5Very low33.7Very low121 Ų121143.6 Ų143.682%0.81878%0.777SS**  trans-148.473.6172.6-91.70000109.3
651E38.1Very low33.4Very low166 Ų166145.1 Ų145.178%0.77678%0.776SS**  trans36.3113.3137.5-72.1-70.4173.200118.4
652V32.9Very low33.3Very low128 Ų128143.7 Ų143.778%0.77678%0.778SS**  trans-68.7134.8168.3166.70000110.6
653C34.8Very low33.2Very low111 Ų111142.7 Ų142.775%0.7578%0.778SS**  trans17143.6156.2-550000120.2
654P37.9Very low33.1Very low126 Ų126144.2 Ų144.282%0.81878%0.782SS**  -143.6127.2114.234.3-20.4000115.7
655E28.9Very low32.9Very low152 Ų152143.2 Ų143.271%0.7178%0.782SS**  trans-148135144.5-90.4-144.1116.400112
656K29.6Very low32.2Very low167 Ų167138.7 Ų138.773%0.72677%0.768SS**  trans75.648.5150.9-64.8159.9-176.1147.90119.9
657T26.9Very low32.2Very low135 Ų135136.6 Ų136.683%0.82876%0.761SS**  trans-137.7146135.652.70000107.3
658E28.9Very low31.9Very low180 Ų180140.2 Ų140.284%0.84177%0.768SS**  cis-119.1-149.70.1-57.1174.2102.500109.9
659T27Very low31.6Very low127 Ų127139 Ų13978%0.77976%0.761SS**  cis-153142.546.1-44.30000112.3
660Q27.4Very low31.5Very low162 Ų162140.1 Ų140.176%0.75777%0.766SS**  trans-122.1118.9153.9-92.2-95.471.400109.3
661L27Very low31.2Very low144 Ų144138.6 Ų138.675%0.75476%0.757SS**  trans57.9114.6157-49.3178.8000119
662S28.3Very low31Very low117 Ų117137.8 Ų137.882%0.81876%0.757SS**  trans-108.6133.3152.6-179.60000108.6
663D31.7Very low30.9Very low144 Ų144138.2 Ų138.277%0.7776%0.755SS**  trans-86.3140.2176.2-80.7-45.5000112.5
664N32.6Very low30.8Very low153 Ų153139.1 Ų139.182%0.81876%0.757SS**  trans62.1154.5169.3-61-20.6000116.7
665D32.5Very low30.5Very low156 Ų156140.5 Ų140.583%0.83476%0.757SS**  cis-143.417310.4-168.918000111.9
666S29.6Very low30.7Very low83 Ų83137 Ų13758%0.5875%0.754SS**  trans85.4101.1157.9-155.10000120.1
667T33.9Very low30.7Very low105 Ų105137.7 Ų137.764%0.64476%0.76SS**  trans68.1116.8132.856.60000122.2
668K35.3Very low31Very low183 Ų183137.7 Ų137.780%0.79676%0.76SS**  51.9128.9122.6-58.1175.8-173.2174.50118
669D29.5Very low31.1Very low132 Ų132137.3 Ų137.371%0.70676%0.759SS**  cis-160.2167.946.3-103.1-38.3000112.6
670L34.7Very low31.7Very low150 Ų150136.1 Ų136.179%0.78575%0.753SS**  trans28.9139.8139.2-56175.3000120.3
671S28.4Very low31.6Very low89 Ų89133 Ų13362%0.62275%0.749SS**  cis176.3143.810.741.70000112.5
672L33.7Very low31.7Very low150 Ų150134.9 Ų134.979%0.78575%0.754SS**  trans59.4148.8148.5-52.7167.6000118.2
673D29.4Very low31.7Very low136 Ų136138.4 Ų138.473%0.72775%0.754SS**  cis-165.1-173.9-6.1-113.5-16.6000109.6
674V34.6Very low31.7Very low130 Ų130138.2 Ų138.279%0.78875%0.753SS**  trans93.997.1164.3-168.90000118.1
675D30.6Very low32Very low155 Ų155136.3 Ų136.383%0.82975%0.75SS**  28.3145.7122.1-81.9-39.9000122.1
676A33.3Very low31.8Very low79 Ų79137.2 Ų137.265%0.65375%0.749SS**  cis-157.4169.23.500000113.5
677E29.7Very low32.2Very low181 Ų181141.3 Ų141.385%0.84676%0.763SS**  trans-7.1136.5162-48.9179.6114.300117.7
678T32.6Very low32.5Very low135 Ų135142 Ų14283%0.82877%0.77SS**  -167.9149.158.8-53.80000112
679Q31.3Very low32.3Very low173 Ų173142.4 Ų142.481%0.80877%0.774SS**  trans-118.2175.3171.7-113.1-150.948.200110
680P39.2Very low32.3Very low102 Ų102144.1 Ų144.166%0.66278%0.782SS**  cis-141.8-178.415.338.4-17.3000117.8
681S24.8Very low32.1Very low97 Ų97146.2 Ų146.268%0.67879%0.788SS**  trans98.4140.3132.7-119.10000123.2
682Q30.5Very low32.1Very low182 Ų182149.6 Ų149.685%0.8580%0.795SS**  trans69152.1157.5-62.2-175.82.300120
683K27.3Very low32.2Very low191 Ų191149.6 Ų149.683%0.8380%0.795SS**  cis-167.5125.3-37-165.3176.8-176.3-174.80107.4
684N31.3Very low32.2Very low140 Ų140150.4 Ų150.475%0.74980%0.798SS**  trans-90.7139179.4-159.327.8000112
685P39.1Very low32Very low114 Ų114155.9 Ų155.974%0.7481%0.805SS**  trans-113.6125.2165.235-22.9000111.9
686E28.5Very low31.8Very low175 Ų175151.6 Ų151.682%0.81880%0.797SS**  trans-114.1152178-167.2162.4-162.900110
687L38.4Very low31.5Very low169 Ų169156.1 Ų156.189%0.88581%0.811SS**  trans-94.7148.5-177.3-67.6171.2000111.2
688P40Very low31.8Very low119 Ų119153.1 Ų153.177%0.77381%0.809SS**  trans-116.3162.6159.437.5-28.7000113.5
689E30.8Very low32Very low192 Ų192152.5 Ų152.590%0.89781%0.808SS**  trans-66.5175-178.7-68.6151.6110.500115
690I29.5Very low31.8Very low168 Ų168152.4 Ų152.486%0.86281%0.811SS**  trans-114.9117.1173.2-60.2173.5000108.7
691E30.4Very low31.3Very low194 Ų194157.8 Ų157.891%0.90782%0.818SS**  trans-120.5152.2162.2-163.5175-148.800109.5
692M30Very low31.5Very low159 Ų159160.2 Ų160.278%0.78382%0.819SS**  trans-99.9151.8-172.1-67.6163.745.900111.7
693I34Very low31.2Very low151 Ų151158.1 Ų158.177%0.77481%0.809SS**  166.8119.5126-87.3161.1000114.1
694L31Very low31.1Very low153 Ų153154.7 Ų154.780%0.80181%0.807SS**  trans65.7144.4152-69171.9000124.4
695R29.4Very low30.8Very low244 Ų244155.4 Ų155.492%0.92181%0.806SS**  trans81.5126.7157.6-138.4-173.6-47.5-105.7-0.6116.1
696G27.2Very low30.1Very low66 Ų66158 Ų15868%0.6881%0.808SS**  cis178.5-179.8-5.100000113.5
697D27.5Very low30.5Very low174 Ų174153.9 Ų153.993%0.9380%0.797SS**  trans72.3161.7172.1-63.7-21.7000120.6
698S34.2Very low30Very low117 Ų117153.6 Ų153.682%0.81879%0.791SS**  trans-125.7163.7-153-79.30000114.9
699P38Very low29.9Very low122 Ų122152.6 Ų152.679%0.79279%0.785SS**  trans-89.9161.9-170.336-37.5000115.6
700I25.8Very low29.6Very low171 Ų171150.2 Ų150.288%0.87778%0.778SS**  trans-125.3156170-70.6-179.2000110.3
701R28.7Very low29.5Very low215 Ų215146.8 Ų146.881%0.81177%0.769SS**  trans-116.7168.4-166.6-74-176.3175.4-125.43.3114
702H30.4Very low29.2Very low149 Ų149144 Ų14469%0.6977%0.766SS**  trans72.4158.4152.4-83.3-144.7000117.4
703E24.5Very low29.1Very low138 Ų138140.4 Ų140.465%0.64576%0.761SS**  cis-148.7173.12-146.416210900113.1Q705E703-Q705 PolarHBondContact OE1-NE2 3.1Å
704C25.3Very low28.7Very low118 Ų118140.6 Ų140.680%0.79776%0.763SS**  trans-130.5138.8167.8-65.50000111.5
705Q24.9Very low28.7Very low156 Ų156139.3 Ų139.373%0.72977%0.767SS**  trans177.1157.5167.3-97145.596.300106.9E703E703-Q705 PolarHBondContact OE1-NE2 3.1Å
706E24.5Very low28.7Very low167 Ų167136.7 Ų136.778%0.7876%0.762SS**  cis-162.2179.3-14.8-104.1-75.986.700105.7
707P36.6Very low28.9Very low89 Ų89142.4 Ų142.458%0.57877%0.774SS**  trans-123.8-159.5-147.433.5-11.1000116.3
708E28Very low28.9Very low164 Ų164141.8 Ų141.877%0.76677%0.765SS**  trans74.8167.3165.7-61.7-53.998.300119.1
709P38.3Very low28.6Very low98 Ų98143.5 Ų143.564%0.63676%0.76SS**  cis-137.1156.9-42.935.2-20.4000115.2
710N24.6Very low28.3Very low141 Ų141143.5 Ų143.575%0.75475%0.754SS**  trans178.3157150.839.147.4000113.1
711S25.4Very low28.5Very low96 Ų96141.5 Ų141.567%0.67175%0.749SS**  cis-177.5160.7-29.358.10000109.8
712T24.8Very low28.8Very low137 Ų137137.4 Ų137.484%0.8475%0.754SS**  trans72.1151.117168.70000117.2
713A28.5Very low28.5Very low83 Ų83135.1 Ų135.169%0.68675%0.754SS**  cis-163.8172.1-16.900000112.5
714D25.9Very low28.5Very low154 Ų154134.4 Ų134.482%0.82476%0.763SS**  trans51.3111.4157.5-77.9-52.4000122.8
715S30.9Very low28.6Very low127 Ų127133.9 Ų133.989%0.88876%0.76SS**  -160.9154.810929.80000112.4
716K28.8Very low28.7Very low188 Ų188135.9 Ų135.982%0.81777%0.766SS**  trans-73.1150.7-165.1-56.2178173.4-169.10115.3
717M30.6Very low29.1Very low187 Ų187135.4 Ų135.492%0.92177%0.769SS**  -151.7161.5108.368-176.3-168.800112
718E29.1Very low28.7Very low160 Ų160136.8 Ų136.875%0.74878%0.776SS**  trans-87.8176.4-179.6-65.6158.3149.800109.5
719E27.3Very low28.8Very low153 Ų153139.9 Ų139.972%0.71578%0.78SS**  cis-159.8174.320.6-158.6-173.4101.500110.2
720N30.9Very low28.5Very low123 Ų123138.3 Ų138.366%0.65878%0.782SS**  trans65.8101.1168.6-63.5-58.9000117.7
721V30.9Very low28.8Very low129 Ų129140.3 Ų140.378%0.78279%0.787SS**  75.493.553.4-172.80000114.4
722S34.5Very low28.8Very low129 Ų129141.9 Ų141.990%0.90279%0.792SS**  trans-151.4133.9133.5-171.30000107.7
723S24.6Very low29.2Very low100 Ų100139.8 Ų139.870%0.69979%0.789SS**  trans-135.7138.6-156.756.70000115.5
724C24.3Very low29.2Very low124 Ų124143.8 Ų143.884%0.83879%0.793SS**  trans62165163.9-114.70000115.1
725C27.3Very low29.3Very low107 Ų107147.1 Ų147.172%0.72380%0.795SS**  cis-121.8174.310.9-67.60000109.6
726K28Very low29.2Very low197 Ų197148.1 Ų148.186%0.85780%0.795SS**  cis-154.5144.932.8-60.1159.8-173.81680112.6
727D32.5Very low29.3Very low158 Ų158148.3 Ų148.385%0.84580%0.795SS**  -148.6-176.6129-147.3-27.8000109
728V28.5Very low29.3Very low118 Ų118148.9 Ų148.972%0.71579%0.793SS**  trans89.9127.4172.1-1750000117.6
729R30.1Very low29.3Very low228 Ų228146.5 Ų146.586%0.8679%0.789SS**  trans82.3134.9163.7-150.2-178.4-52.7-102.1-2.1116.6
730G31.5Very low29.4Very low65 Ų65148.2 Ų148.267%0.6779%0.794SS**  cis137.8117.8-14.600000115.2
731Q29.7Very low29.3Very low184 Ų184146.7 Ų146.786%0.8679%0.793SS**  trans-139.2153.7156.2-78.6-157.257.900110.6
732T27.1Very low29.5Very low128 Ų128151.6 Ų151.679%0.78580%0.798SS**  trans48.979.6160.553.10000119.9
733A32.1Very low29.3Very low94 Ų94152.2 Ų152.278%0.77778%0.784SS**  29146.5124.200000123.7
734Q27.6Very low29.5Very low166 Ų166153.2 Ų153.278%0.77678%0.782SS**  trans76.2107.5165.4-57.5-153.639.800116.3
735R28.9Very low30.1Very low225 Ų225154.7 Ų154.785%0.84978%0.776SS**  66.8115.382.7-77.2174.556.6167.6-4.1113.9
736V29.2Very low30.1Very low147 Ų147158.6 Ų158.689%0.89178%0.784SS**  -159.5163.6113.9141.80000108.8
737K31.4Very low30.5Very low192 Ų192155.4 Ų155.484%0.83578%0.781SS**  trans-92.2179.6-176-54.4172.8178.6-179.60111.4
738K28.9Very low30.6Very low199 Ų199156.5 Ų156.587%0.86578%0.781SS**  trans89.2144.7141-163.4-173.2-176.4-174.20116.6
739V30Very low30.7Very low110 Ų110158.8 Ų158.867%0.66778%0.781SS**  cis-172.7161.1-33.983.70000109.2
740K30.2Very low30.8Very low189 Ų189156.1 Ų156.182%0.82278%0.78SS**  trans70.1155.8165-82.6178.1179.9-176.40116.7
741S28.3Very low30.9Very low92 Ų92160.9 Ų160.964%0.64379%0.785SS**  cis-167.5150.5-5.538.60000115.4
742R34.7Very low31Very low231 Ų231158.9 Ų158.987%0.87278%0.78SS**  trans72.8139.3156.2-70.1170.1178.7-167-4.3116.8
743K29.3Very low31.2Very low143 Ų143164.3 Ų164.362%0.62279%0.787SS**  71.2134.954.8-120.2-169.7173.4-820110.5
744D30.5Very low31.2Very low120 Ų120165 Ų16564%0.64279%0.785SS**  cis-126.215317.2-67.7-89.7000110.7
745Q36.1Very low31.7Very low155 Ų155164.6 Ų164.672%0.72479%0.788SS**  64.793.155.4-168.6-176.82.900115.2
746E27.2Very low31.7Very low190 Ų190162.8 Ų162.889%0.88879%0.789SS**  trans-153.1162133.6-165.2144.9-139.100109
747V36.4Very low31.7Very low130 Ų130166 Ų16679%0.78879%0.785SS**  trans-142.9127.4-178.8-154.20000108.9
748E33.9Very low31.7Very low181 Ų181161.7 Ų161.785%0.84678%0.779SS**  trans-154.1159.4159.2-115.5-53.111300108.6
749K31.1Very low31.6Very low165 Ų165160.7 Ų160.772%0.71778%0.777SS**  trans-112.5137.5-156.5-155-174.7176.5-147.80113
750M32.1Very low31.5Very low173 Ų173160.8 Ų160.885%0.85278%0.781SS**  trans-81.2128.5177.753.4173.1-77.400112.9
751E34.1Very low31.8Very low165 Ų165157.2 Ų157.277%0.77178%0.778SS**  trans-153.590.7157.7-104.8151.2-146.100105.5
752D30.6Very low32.1Very low141 Ų141160.4 Ų160.475%0.75478%0.783SS**  83107.197.5-170.225.3000113.8
753R32.6Very low32.2Very low243 Ų243157.5 Ų157.592%0.91778%0.784SS**  trans-146.4111.1159-166.1171.1-179.3-174-0.4108.4
754S32.7Very low32.8Very low107 Ų107159.3 Ų159.375%0.74879%0.794SS**  trans-73.4162.9-169.953.40000114.1
755L36.6Very low33.2Very low159 Ų159157.8 Ų157.883%0.83280%0.798SS**  trans-87.1142-169.5-59.7163.4000112.2
756Q29.9Very low33.1Very low186 Ų186154.8 Ų154.887%0.86980%0.8SS**  164165.4121-88.5172.3-8100111.3
757R29.2Very low33.4Very low216 Ų216152.2 Ų152.282%0.81580%0.797SS**  cis177.4149.4-42.8-176.4175.1179.2168.91.3107.4
758S30.8Very low33.7Very low100 Ų100151.3 Ų151.370%0.69979%0.791SS**  trans69.5116.4157.442.70000120.4
759E27.6Very low34Very low178 Ų178148 Ų14883%0.83279%0.786SS**  trans-49.6167.5141.3-57.2146.199.300111.3
760C26.7Very low34.6Very low112 Ų112148 Ų14876%0.75779%0.788SS**  cis-165.1-177.419.3-135.10000106.7
761P37.7Very low35.5Very low115 Ų115144.2 Ų144.275%0.74778%0.779SS**  cis-128178.4-742.2-26.6000114.8
762E33.5Very low36.6Very low159 Ų159142.3 Ų142.374%0.74378%0.78SS**  trans-66.9148177-175.8173.7-177.500114.5
763L37Very low38.2Very low170 Ų170142.2 Ų142.289%0.8978%0.775SS**  trans-124.8116.4157.9-76.3178.5000107.4A765L763-A765 PolarHBondContact O-N 3.19Å; L763-A765 VanDerWaalsContact O-N 3.09Å
764E43.3Very low40.5Very low180 Ų180134 Ų13484%0.84176%0.759SS**  trans-61112.7-178.3-69.7-170.6172.700111.7
765A37.6Very low43.2Very low89 Ų89132.7 Ų132.774%0.73675%0.75SS**  trans-91.7127.2152.100000107.3L763 V767L763-A765 PolarHBondContact O-N 3.19Å; L763-A765 VanDerWaalsContact O-N 3.09Å; A765-V767 PolarHBondContact O-N 3.06Å
766A34.4Very low45.9Very low92 Ų92128.1 Ų128.176%0.7673%0.729SS**  trans-55.4127.2-166.100000113V768A766-V768 PolarHBondContact O-N 2.77Å
767V32.6Very low49Very low135 Ų135124.3 Ų124.382%0.81871%0.714SS**  trans-65.394.9174.1-179.40000109.4A765A765-V767 PolarHBondContact O-N 3.06Å
768V43.8Very low52.1Low111 Ų111114.4 Ų114.467%0.67368%0.678SS**  trans-62.8127.3154-1800000106.1A766 H770A766-V768 PolarHBondContact O-N 2.77Å; V768-H770 PolarHBondContact O-N 2.58Å
769P39.7Very low54.9Low112 Ų112115.4 Ų115.473%0.72768%0.682SS**  trans-60.4113.5170.5-19.431.9000107.9S771P769-S771 PolarHBondContact O-N 3.47Å
770H43.8Very low58Low166 Ų166112 Ų11277%0.76967%0.669SS**PPolyproline II helixtrans-55.4126.1167.7-75.9-113.1000106.9V768V768-H770 PolarHBondContact O-N 2.58Å
771S51.1Low61.2Low93 Ų93109.2 Ų109.265%0.6565%0.65SS**PPolyproline II helixtrans-53.4141.7166.447.10000108.2P769 E773P769-S771 PolarHBondContact O-N 3.47Å; S771-E773 PolarHBondContact O-N 3.08Å
772P56.7Low63.7Low125 Ų125111.8 Ų111.881%0.81265%0.652SS**PPolyproline II helixtrans-52.3123.4173.124.3-33.5000108.1A774P772-A774 PolarHBondContact O-N 3.17Å
773E65.3Low66.4Low139 Ų139105.3 Ų105.365%0.6563%0.628SS**PPolyproline II helixtrans-59.5131.1-178.3-65.2179.9156.600107.9S771 S775S771-E773 PolarHBondContact O-N 3.08Å; E773-S775 PolarHBondContact O-N 3.32Å
774A80Confident69Low69 Ų69101 Ų10157%0.5761%0.613SS**  trans-66.6103.3-175.600000108.7P772 A787P772-A774 PolarHBondContact O-N 3.17Å; A774-A787 WeakPolarHBondContact O-CB 3.35Å; A774-A787 PolarHBondContact O-N 3.15Å
775S89.6Confident71.4Confident81 Ų8194.9 Ų94.957%0.56658%0.583SS**EExtended strand (participates in β ladder)trans-71.4130.5170.555.50000109.2E773 F785E773-S775 PolarHBondContact O-N 3.32Å; S775-F785 CarbonylContact C-O 3.58Å; S775-F785 VanDerWaalsContact CA-O 3.3Å; S775-F785 WeakPolarHBondContact CA-O 3.38Å
776V93.1Very high74.1Confident63 Ų6392.1 Ų92.138%0.38256%0.558SS.*EExtended strand (participates in β ladder)trans-112.8127.5174-176.20000107.1F785 A787 I790V776-F785 PolarHBondContact N-O 3.43Å; V776-F785 PolarHBondContact O-N 3.35Å; V776-A787 HydrophobicContact CG2-CB 4.37Å; V776-I790 HydrophobicContact CB-CB 4.3Å; V776-I790 HydrophobicContact CB-CD1 4.45Å; V776-I790 HydrophobicContact CB-CG1 4.01Å; V776-I790 HydrophobicContact CB-CG2 4.39Å; V776-I790 HydrophobicContact CG1-CD1 4.38Å; V776-I790 HydrophobicContact CG1-CG1 3.95Å
777D95.6Very high76.7Confident106 Ų10690.6 Ų90.657%0.56755%0.545SS*.EExtended strand (participates in β ladder)trans-86.4130.3-179.6-55.1-29.6000109.6G783 S784D777-G783 WeakPolarHBondContact CA-O 3.21Å; D777-S784 WeakPolarHBondContact OD1-CB 3.29Å
778C93.7Very high79.5Confident7 Ų788.2 Ų88.25%0.04753%0.534CS..  trans-72.7125175.6-176.40000110L780 Q782 G783 F785 I790 H793C778-L780 PolarHBondContact O-N 2.82Å; C778-Q782 WeakPolarHBondContact O-CA 3.24Å; C778-Q782 PolarHBondContact O-N 2.84Å; C778-G783 PolarHBondContact N-O 2.92Å; C778-F785 HydrophobicContact CB-CD2 4.36Å; C778-F785 HydrophobicContact CB-CE2 4.15Å; C778-I790 HydrophobicContact CB-CD1 4.25Å; C778-H793 VanDerWaalsContact CB-NE2 3.35Å; C778-H793 WeakPolarHBondContact CB-NE2 3.47Å; C778-H793 PolarHBondContact SG-NE2 2.71Å
779P90.5Very high81.7Confident122 Ų12287.9 Ų87.979%0.79253%0.525SS*.THydrogen-bonded Turntrans-71.5-9.1-177.530.3-36.6000114
780L92.1Very high84.3Confident107 Ų10784.2 Ų84.256%0.5650%0.499SS*.THydrogen-bonded Turntrans-87.6-79.7174.9-54.4176.9000109.1C778 Q782 C797 G799C778-L780 PolarHBondContact O-N 2.82Å; L780-Q782 VanDerWaalsContact C-N 3.27Å; L780-Q782 PolarHBondContact O-N 3.16Å; L780-C797 HydrophobicContact CD1-CB 4.28Å; L780-G799 VanDerWaalsContact C-OXT 3.25Å; L780-G799 VanDerWaalsContact CB-OXT 3.28Å; L780-G799 WeakPolarHBondContact CB-OXT 3.1Å
781C93.1Very high86.7Confident52 Ų5284 Ų8435%0.35150%0.499SS..THydrogen-bonded Turntrans-76.3-6.7-173.973.60000115.2G783 H793 G799C781-G783 PolarHBondContact O-N 3.35Å; C781-G783 VanDerWaalsContact O-N 3.1Å; C781-G783 PolarHBondContact SG-N 2.82Å; C781-G783 VanDerWaalsContact SG-N 3.35Å; C781-H793 PolarHBondContact SG-CE1 3.35Å; C781-H793 PolarHBondContact SG-NE2 2.84Å; C781-G799 WeakPolarHBondContact CA-OXT 3.16Å; C781-G799 VanDerWaalsContact CB-OXT 3.25Å; C781-G799 WeakPolarHBondContact CB-OXT 3.34Å; C781-G799 PolarHBondContact N-OXT 3.43Å
782Q91.2Very high88.7Confident169 Ų16984.6 Ų84.679%0.7949%0.493SS*.  trans59.714.8-174.9-62.9161.757.700114.7C778 L780C778-Q782 WeakPolarHBondContact O-CA 3.24Å; C778-Q782 PolarHBondContact O-N 2.84Å; L780-Q782 VanDerWaalsContact C-N 3.27Å; L780-Q782 PolarHBondContact O-N 3.16Å
783G89.6Confident90.5Very high23 Ų2380.2 Ų80.224%0.23746%0.462CS..  trans-73.6141.3171.200000112D777 C778 C781 F785D777-G783 WeakPolarHBondContact CA-O 3.21Å; C778-G783 PolarHBondContact N-O 2.92Å; C781-G783 PolarHBondContact O-N 3.35Å; C781-G783 VanDerWaalsContact O-N 3.1Å; C781-G783 PolarHBondContact SG-N 2.82Å; C781-G783 VanDerWaalsContact SG-N 3.35Å; G783-F785 VanDerWaalsContact C-CE2 3.46Å; G783-F785 VanDerWaalsContact O-CD2 3.25Å; G783-F785 WeakPolarHBondContact O-CD2 3.43Å; G783-F785 VanDerWaalsContact O-CE2 3.28Å; G783-F785 WeakPolarHBondContact O-CE2 3.49Å
784S93.2Very high91.8Very high81 Ų8176.8 Ų76.857%0.56646%0.457SS*.EExtended strand (participates in β ladder)trans-96123.7176.355.80000110.8D777D777-S784 WeakPolarHBondContact OD1-CB 3.29Å
785F92.8Very high92.4Very high50 Ų5076.9 Ų76.922%0.21946%0.459CS..EExtended strand (participates in β ladder)trans-125.5144.1-176-60.5-87.1000110.5S775 V776 C778 G783 I790 H793S775-F785 CarbonylContact C-O 3.58Å; S775-F785 VanDerWaalsContact CA-O 3.3Å; S775-F785 WeakPolarHBondContact CA-O 3.38Å; V776-F785 PolarHBondContact N-O 3.43Å; V776-F785 PolarHBondContact O-N 3.35Å; C778-F785 HydrophobicContact CB-CD2 4.36Å; C778-F785 HydrophobicContact CB-CE2 4.15Å; G783-F785 VanDerWaalsContact C-CE2 3.46Å; G783-F785 VanDerWaalsContact O-CD2 3.25Å; G783-F785 WeakPolarHBondContact O-CD2 3.43Å; G783-F785 VanDerWaalsContact O-CE2 3.28Å; G783-F785 WeakPolarHBondContact O-CE2 3.49Å; F785-I790 HydrophobicContact CB-CB 4.22Å; F785-I790 HydrophobicContact CB-CD1 4.15Å; F785-I790 HydrophobicContact CD2-CD1 3.99Å; F785-I790 HydrophobicContact CG-CD1 4.42Å; F785-H793 HydrophobicContact CD1-CB 4.04Å; F785-H793 HydrophobicContact CD2-CB 4.23Å; F785-H793 AromaticContact CD2-CD2 3.54Å; F785-H793 AromaticContact CD2-CG 3.79Å; F785-H793 HydrophobicContact CE1-CB 4.08Å; F785-H793 AromaticContact CE1-CG 3.79Å; F785-H793 AromaticContact CE1-ND1 3.84Å; F785-H793 HydrophobicContact CE2-CB 4.28Å; F785-H793 AromaticContact CE2-CD2 3.19Å; F785-H793 WeakPolarHBondContact CE2-CD2 3.4Å; F785-H793 AromaticContact CE2-CE1 3.66Å; F785-H793 AromaticContact CE2-CG 3.43Å; F785-H793 VanDerWaalsContact CE2-CG 3.43Å; F785-H793 AromaticContact CE2-ND1 3.71Å; F785-H793 AromaticContact CE2-NE2 3.35Å; F785-H793 VanDerWaalsContact CE2-NE2 3.35Å; F785-H793 WeakPolarHBondContact CE2-NE2 3.26Å; F785-H793 HydrophobicContact CG-CB 4.12Å; F785-H793 HydrophobicContact CZ-CB 4.22Å; F785-H793 AromaticContact CZ-CD2 3.69Å; F785-H793 AromaticContact CZ-CE1 3.53Å; F785-H793 AromaticContact CZ-CG 3.43Å; F785-H793 VanDerWaalsContact CZ-CG 3.43Å; F785-H793 AromaticContact CZ-ND1 3.34Å; F785-H793 VanDerWaalsContact CZ-ND1 3.34Å; F785-H793 WeakPolarHBondContact CZ-ND1 3.28Å; F785-H793 AromaticContact CZ-NE2 3.75Å
786P93.7Very high92.6Very high31 Ų3182.1 Ų82.120%0.20147%0.467CS..EExtended strand (participates in β ladder)trans-62.1149.3172.628-33.6000110.1S788 E789 I790P786-S788 PolarHBondContact O-N 3.36Å; P786-E789 HydrophobicContact CG-CB 3.92Å; P786-E789 HydrophobicContact CG-CG 3.82Å; P786-E789 WeakPolarHBondContact CG-OE2 3.4Å; P786-E789 PolarHBondContact O-N 3.37Å; P786-I790 PolarHBondContact O-N 3.45Å; P786-I790 VanDerWaalsContact O-N 3.1Å
787A90.6Very high92.6Very high60 Ų6080.3 Ų80.350%0.49646%0.457SS..THydrogen-bonded Turntrans-57.3-13.7-177.900000115.2A774 V776A774-A787 WeakPolarHBondContact O-CB 3.35Å; A774-A787 PolarHBondContact O-N 3.15Å; V776-A787 HydrophobicContact CG2-CB 4.37Å
788S90.2Very high92.2Very high85 Ų8583.3 Ų83.359%0.59447%0.473SS*.THydrogen-bonded Turntrans-85.3-16.6172.350.40000114.9P786P786-S788 PolarHBondContact O-N 3.36Å
789E91.2Very high91.3Very high104 Ų10486.2 Ų86.249%0.48651%0.505SS..THydrogen-bonded Turntrans-116.1-18.6-175.7-63.5179.5173.700112.9P786 E791 I792 H793P786-E789 HydrophobicContact CG-CB 3.92Å; P786-E789 HydrophobicContact CG-CG 3.82Å; P786-E789 WeakPolarHBondContact CG-OE2 3.4Å; P786-E789 PolarHBondContact O-N 3.37Å; E789-E791 PolarHBondContact O-N 2.93Å; E789-I792 WeakPolarHBondContact O-CB 3.11Å; E789-I792 PolarHBondContact O-N 3.32Å; E789-H793 PolarHBondContact O-N 3.41Å
790I93.6Very high91.3Very high35 Ų3584.5 Ų84.518%0.17949%0.49CS..Hα-helixtrans-57-32.7178.8-172.562.8000113.2V776 C778 F785 P786 A794V776-I790 HydrophobicContact CB-CB 4.3Å; V776-I790 HydrophobicContact CB-CD1 4.45Å; V776-I790 HydrophobicContact CB-CG1 4.01Å; V776-I790 HydrophobicContact CB-CG2 4.39Å; V776-I790 HydrophobicContact CG1-CD1 4.38Å; V776-I790 HydrophobicContact CG1-CG1 3.95Å; C778-I790 HydrophobicContact CB-CD1 4.25Å; F785-I790 HydrophobicContact CB-CB 4.22Å; F785-I790 HydrophobicContact CB-CD1 4.15Å; F785-I790 HydrophobicContact CD2-CD1 3.99Å; F785-I790 HydrophobicContact CG-CD1 4.42Å; P786-I790 PolarHBondContact O-N 3.45Å; P786-I790 VanDerWaalsContact O-N 3.1Å; I790-A794 VanDerWaalsContact O-CB 3.22Å; I790-A794 WeakPolarHBondContact O-CB 3.36Å; I790-A794 PolarHBondContact O-N 2.87Å
791E93Very high91.3Very high163 Ų16383.3 Ų83.376%0.76249%0.486SS*.Hα-helixtrans-65.5-44.1174.4-176.9176.8-168.200111.7E789 A794 A795E789-E791 PolarHBondContact O-N 2.93Å; E791-A794 PolarHBondContact O-N 3.02Å; E791-A795 PolarHBondContact O-N 2.99Å
792I93.9Very high91.2Very high104 Ų10485 Ų8553%0.53349%0.494SS..Hα-helixtrans-66.6-43.9177.2-55.7174.4000109.7E789 A795 Y796E789-I792 WeakPolarHBondContact O-CB 3.11Å; E789-I792 PolarHBondContact O-N 3.32Å; I792-A795 PolarHBondContact O-N 3.24Å; I792-Y796 HydrophobicContact CG2-CD2 4.2Å; I792-Y796 HydrophobicContact CG2-CE2 4.25Å; I792-Y796 VanDerWaalsContact O-CD2 3.22Å; I792-Y796 WeakPolarHBondContact O-CD2 3.42Å
793H94.7Very high91.2Very high34 Ų3480.1 Ų80.116%0.15748%0.477CS..Hα-helixtrans-62.9-46.1176.9172.362.2000111.8C778 C781 F785 E789 A795 Y796 C797C778-H793 VanDerWaalsContact CB-NE2 3.35Å; C778-H793 WeakPolarHBondContact CB-NE2 3.47Å; C778-H793 PolarHBondContact SG-NE2 2.71Å; C781-H793 PolarHBondContact SG-CE1 3.35Å; C781-H793 PolarHBondContact SG-NE2 2.84Å; F785-H793 HydrophobicContact CD1-CB 4.04Å; F785-H793 HydrophobicContact CD2-CB 4.23Å; F785-H793 AromaticContact CD2-CD2 3.54Å; F785-H793 AromaticContact CD2-CG 3.79Å; F785-H793 HydrophobicContact CE1-CB 4.08Å; F785-H793 AromaticContact CE1-CG 3.79Å; F785-H793 AromaticContact CE1-ND1 3.84Å; F785-H793 HydrophobicContact CE2-CB 4.28Å; F785-H793 AromaticContact CE2-CD2 3.19Å; F785-H793 WeakPolarHBondContact CE2-CD2 3.4Å; F785-H793 AromaticContact CE2-CE1 3.66Å; F785-H793 AromaticContact CE2-CG 3.43Å; F785-H793 VanDerWaalsContact CE2-CG 3.43Å; F785-H793 AromaticContact CE2-ND1 3.71Å; F785-H793 AromaticContact CE2-NE2 3.35Å; F785-H793 VanDerWaalsContact CE2-NE2 3.35Å; F785-H793 WeakPolarHBondContact CE2-NE2 3.26Å; F785-H793 HydrophobicContact CG-CB 4.12Å; F785-H793 HydrophobicContact CZ-CB 4.22Å; F785-H793 AromaticContact CZ-CD2 3.69Å; F785-H793 AromaticContact CZ-CE1 3.53Å; F785-H793 AromaticContact CZ-CG 3.43Å; F785-H793 VanDerWaalsContact CZ-CG 3.43Å; F785-H793 AromaticContact CZ-ND1 3.34Å; F785-H793 VanDerWaalsContact CZ-ND1 3.34Å; F785-H793 WeakPolarHBondContact CZ-ND1 3.28Å; F785-H793 AromaticContact CZ-NE2 3.75Å; E789-H793 PolarHBondContact O-N 3.41Å; H793-A795 PolarHBondContact O-N 3.04Å; H793-Y796 CarbonylContact O-C 3.52Å; H793-Y796 PolarHBondContact O-N 2.99Å; H793-C797 PolarHBondContact CE1-SG 2.77Å; H793-C797 PolarHBondContact NE2-SG 3.32Å; H793-C797 VanDerWaalsContact NE2-SG 3.35Å; H793-C797 WeakPolarHBondContact O-CB 3.48Å; H793-C797 PolarHBondContact O-N 2.96Å
794A91.8Very high91.3Very high66 Ų6683.6 Ų83.655%0.54549%0.492SS..Hα-helixtrans-60.7-30.217900000112.9I790 E791 Y796I790-A794 VanDerWaalsContact O-CB 3.22Å; I790-A794 WeakPolarHBondContact O-CB 3.36Å; I790-A794 PolarHBondContact O-N 2.87Å; E791-A794 PolarHBondContact O-N 3.02Å; A794-Y796 VanDerWaalsContact C-N 3.27Å; A794-Y796 PolarHBondContact O-N 3.42Å
795A92.8Very high91.2Very high72 Ų7283.8 Ų83.860%0.59549%0.487SS*.THydrogen-bonded Turntrans-72.3-15.1174.600000114.5E791 I792 H793E791-A795 PolarHBondContact O-N 2.99Å; I792-A795 PolarHBondContact O-N 3.24Å; H793-A795 PolarHBondContact O-N 3.04Å
796Y93.3Very high91.1Very high190 Ų19086.2 Ų86.275%0.74551%0.506SS*.THydrogen-bonded Turntrans-13211.5-175.6-60.9-61.4000114.3I792 H793 A794 D798I792-Y796 HydrophobicContact CG2-CD2 4.2Å; I792-Y796 HydrophobicContact CG2-CE2 4.25Å; I792-Y796 VanDerWaalsContact O-CD2 3.22Å; I792-Y796 WeakPolarHBondContact O-CD2 3.42Å; H793-Y796 CarbonylContact O-C 3.52Å; H793-Y796 PolarHBondContact O-N 2.99Å; A794-Y796 VanDerWaalsContact C-N 3.27Å; A794-Y796 PolarHBondContact O-N 3.42Å; Y796-D798 PolarHBondContact O-N 3.48Å
797C94.1Very high90.9Very high25 Ų2590.5 Ų90.517%0.16953%0.529CS..  trans-76.4120.9179.3-165.70000110.6L780 H793 G799L780-C797 HydrophobicContact CD1-CB 4.28Å; H793-C797 PolarHBondContact CE1-SG 2.77Å; H793-C797 PolarHBondContact NE2-SG 3.32Å; H793-C797 VanDerWaalsContact NE2-SG 3.35Å; H793-C797 WeakPolarHBondContact O-CB 3.48Å; H793-C797 PolarHBondContact O-N 2.96Å; C797-G799 PolarHBondContact SG-OXT 3.44Å; C797-G799 VanDerWaalsContact SG-OXT 3.36Å
798D87.3Confident90.9Very high169 Ų16993 Ų9390%0.90453%0.532SS*.  trans-99.3-10.2-172.959.7-36.8000114.8Y796Y796-D798 PolarHBondContact O-N 3.48Å
799G75Confident91Very high69 Ų6993.7 Ų93.771%0.71153%0.526SS*.  trans167.20177.700000111.7L780 C781 C797L780-G799 VanDerWaalsContact C-OXT 3.25Å; L780-G799 VanDerWaalsContact CB-OXT 3.28Å; L780-G799 WeakPolarHBondContact CB-OXT 3.1Å; C781-G799 WeakPolarHBondContact CA-OXT 3.16Å; C781-G799 VanDerWaalsContact CB-OXT 3.25Å; C781-G799 WeakPolarHBondContact CB-OXT 3.34Å; C781-G799 PolarHBondContact N-OXT 3.43Å; C797-G799 PolarHBondContact SG-OXT 3.44Å; C797-G799 VanDerWaalsContact SG-OXT 3.36Å

Retrieved 799 of 799 residues in 849.4 ms (Link to these results)