A0A077ZE96_TRITR Loading...

WH2 motif protein

AlphaFold DB , UniProt , Accession A0A077ZE96, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 510 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
1M49.3Very low57.7Low248 Ų248142.8 Ų142.8100%1.22285%0.851SS**  0119.10-61.6172.5-176.100107.1
2M47.8Very low57.2Low193 Ų193142.1 Ų142.195%0.95185%0.848SS**  trans-116.8130.6177.6-69.9-164.8175.100109.4
3A61.3Low56.4Low102 Ų102145.3 Ų145.384%0.84385%0.849SS**PPolyproline II helixtrans-74.9127.2-179.700000110.1
4A61.5Low56Low93 Ų93147.2 Ų147.277%0.76985%0.853SS**PPolyproline II helixtrans-69.7139.5172.100000110.3
5P63.8Low55.9Low118 Ų118146.3 Ų146.377%0.76685%0.851SS**PPolyproline II helixtrans-70.6156.9-177.228.7-35.1000112.8
6P72.3Confident56.2Low117 Ų117144.2 Ų144.276%0.7684%0.843SS**PPolyproline II helixtrans-68.4149.6-17828.3-35.5000112.9
7P59.4Low56.9Low117 Ų117142.7 Ų142.776%0.7684%0.839SS**PPolyproline II helixtrans-71.8150.7-178.929.7-35.6000113
8P57.2Low57.4Low112 Ų112141.4 Ų141.473%0.72784%0.835SS**PPolyproline II helixtrans-73156.5-179.530.5-35.8000113L10P8-L10 PolarHBondContact O-N 3.25Å
9P61.1Low57.9Low123 Ų123140 Ų14080%0.79983%0.831SS**  trans-70.7112.8-178.928.2-34.4000112.1M11P9-M11 PolarHBondContact O-N 3.47Å
10L54.2Low58.6Low160 Ų160139.3 Ų139.384%0.83883%0.83SS**  trans-72106.3171.6-83.7168.1000111.2P8 T12P8-L10 PolarHBondContact O-N 3.25Å; L10-T12 PolarHBondContact O-N 3.26Å; L10-T12 PolarHBondContact O-OG1 3.44Å
11M47.3Very low59.1Low188 Ų188140.2 Ų140.293%0.92683%0.83SS**  trans-56.2100.4167.8-69.8-110.6165.600110.3P9P9-M11 PolarHBondContact O-N 3.47Å
12T51.1Low60Low134 Ų134133.9 Ų133.982%0.82281%0.808SS**PPolyproline II helixtrans-102.1124.8176.419.80000110.5L10L10-T12 PolarHBondContact O-N 3.26Å; L10-T12 PolarHBondContact O-OG1 3.44Å
13Q46.4Very low60.5Low184 Ų184131.1 Ų131.186%0.8680%0.801SS**PPolyproline II helixtrans-54.9148.2-167.2-6217410.200114.2T15Q13-T15 PolarHBondContact O-N 2.96Å
14L51.6Low59.9Low172 Ų172134.2 Ų134.290%0.90180%0.803SS**PPolyproline II helixtrans-57.5120.2158.5-66.9166.2000108.9
15T53.6Low59.1Low134 Ų134135.7 Ų135.782%0.82281%0.808SS**PPolyproline II helixtrans-60.8138.3171.921.40000110.3Q13Q13-T15 PolarHBondContact O-N 2.96Å
16P61.9Low58.1Low112 Ų112133.2 Ų133.273%0.72780%0.803SS**PPolyproline II helixtrans-65.1153.5-172.425-34.1000112.7
17P67.8Low56.7Low119 Ų119137.5 Ų137.577%0.77381%0.81SS**PPolyproline II helixtrans-66.2152.6-174.627.2-35.3000113
18P65.8Low55.6Low119 Ų119139.1 Ų139.177%0.77382%0.817SS**PPolyproline II helixtrans-68.4151.5-177.428.6-35.7000112.9
19P67.5Low54.8Low115 Ų115138.2 Ų138.275%0.74782%0.82SS**PPolyproline II helixtrans-69.2154-177.128.4-35.6000113.2
20P71.8Confident53.9Low126 Ų126142.1 Ų142.182%0.81882%0.824SS**PPolyproline II helixtrans-67.2146.2-179.927.7-34.7000112.9
21L68.7Low53.1Low158 Ų158143.9 Ų143.983%0.82783%0.825SS**PPolyproline II helixtrans-69.5144.9179.1-72163.3000111.9V23L21-V23 PolarHBondContact O-N 3.45Å
22P67.3Low52.7Low116 Ų116140.2 Ų140.275%0.75382%0.815SS**PPolyproline II helixtrans-61.1122.2178.5-22.733.3000112.5L24P22-L24 PolarHBondContact O-N 2.95Å
23V59.6Low52.4Low134 Ų134139.5 Ų139.581%0.81281%0.812SS**  trans-78.3112.9172.7-176.30000108.3L21 S25L21-V23 PolarHBondContact O-N 3.45Å; V23-S25 PolarHBondContact O-N 3.1Å; V23-S25 VanDerWaalsContact O-N 3.07Å
24L49.2Very low52.5Low167 Ų167135.5 Ų135.587%0.87481%0.811SS**  trans-70.4102.9176.1-73.5168.8000110.4P22 G26P22-L24 PolarHBondContact O-N 2.95Å; L24-G26 VanDerWaalsContact C-N 3.3Å; L24-G26 PolarHBondContact O-N 3.38Å
25S44.5Very low52.3Low125 Ų125130.7 Ų130.787%0.87480%0.796SS**  trans-66.980.8174.3-64.60000112V23V23-S25 PolarHBondContact O-N 3.1Å; V23-S25 VanDerWaalsContact O-N 3.07Å
26G42.5Very low52.2Low66 Ų66128.3 Ų128.368%0.6879%0.79SS**  trans-127.573.4-173.800000114.2L24L24-G26 VanDerWaalsContact C-N 3.3Å; L24-G26 PolarHBondContact O-N 3.38Å
27K42.2Very low51.9Low207 Ų207126.9 Ų126.990%0.978%0.783SS**  trans24.8110.6162.9-67.5-178.5178.7178.10118.8
28V36.4Very low51.6Low150 Ų150125.9 Ų125.991%0.90978%0.775SS**  trans-52.9129.5169.9-177.40000113.3
29A41.2Very low51.7Low94 Ų94126.3 Ų126.378%0.77777%0.77SS**  trans-143.3103.9158.500000111.8
30K41.8Very low51.8Low205 Ų205130.1 Ų130.189%0.89177%0.77SS**  trans4988.4164.5-67.4-177177.91770118.6
31K37.8Very low52.1Low197 Ų197131 Ų13186%0.85776%0.763SS**  trans-19.6118.6149.1-171.4178.2-171.4176.50114.9
32P38.8Very low52.5Low110 Ų110125.8 Ų125.871%0.71474%0.743SS**  trans-70.2145.816529.7-33000110.5
33P43.6Very low53Low119 Ų119125.5 Ų125.577%0.77374%0.735SS**  trans-69.9148.5-175.927.8-34.4000112.6A35P33-A35 VanDerWaalsContact C-N 3.25Å; P33-A35 PolarHBondContact O-N 2.75Å
34A49Very low53.9Low101 Ų101123.5 Ų123.584%0.83572%0.719SS**SBendtrans-77.954.7-168.900000114.7A36A34-A36 VanDerWaalsContact C-N 3.31Å; A34-A36 PolarHBondContact O-N 2.82Å
35A47.8Very low55.2Low71 Ų71117.6 Ų117.659%0.58769%0.694SS**  trans-83.33.5179.300000114.8P33 S37P33-A35 VanDerWaalsContact C-N 3.25Å; P33-A35 PolarHBondContact O-N 2.75Å; A35-S37 PolarHBondContact O-N 2.91Å
36A50.3Low56.6Low83 Ų83116.7 Ų116.769%0.68668%0.68SS**Hα-helixtrans-80-8.1-168.300000116.1A34A34-A36 VanDerWaalsContact C-N 3.31Å; A34-A36 PolarHBondContact O-N 2.82Å
37S56.1Low58Low83 Ų83118.6 Ų118.658%0.5867%0.673SS**Hα-helixtrans-79.9-33.8179.559.70000112.9A35 R40 Q41A35-S37 PolarHBondContact O-N 2.91Å; S37-R40 PolarHBondContact O-N 3Å; S37-Q41 PolarHBondContact O-N 2.98Å
38T61.6Low59.4Low98 Ų98116.8 Ų116.860%0.60166%0.66SS**Hα-helixtrans-67.4-44.8-174.6-380000112.2R40 Q41 A42T38-R40 VanDerWaalsContact C-N 3.29Å; T38-R40 PolarHBondContact O-N 2.84Å; T38-Q41 PolarHBondContact O-N 3.34Å; T38-A42 PolarHBondContact O-N 3.45Å
39D67.3Low61.1Low127 Ų127119 Ų11968%0.67965%0.652SS**Hα-helixtrans-61.6-36179.4-81.6-16.6000112.5A42 L43D39-A42 PolarHBondContact O-N 3.05Å; D39-L43 WeakPolarHBondContact O-CB 3.37Å; D39-L43 PolarHBondContact O-N 3.34Å
40R70.9Confident62.2Low195 Ų195118.6 Ų118.674%0.73665%0.65SS**Hα-helixtrans-69.4-36.7178.2-164.8171.8-175.5152.20.2111.8S37 T38 L44S37-R40 PolarHBondContact O-N 3Å; T38-R40 VanDerWaalsContact C-N 3.29Å; T38-R40 PolarHBondContact O-N 2.84Å; R40-L44 VanDerWaalsContact O-CG 3.29Å; R40-L44 WeakPolarHBondContact O-CG 3.39Å; R40-L44 PolarHBondContact O-N 3.36Å
41Q77.2Confident63.1Low144 Ų144112.3 Ų112.367%0.67364%0.643SS**Hα-helixtrans-72.5-38.1173.6-69.7-150.320.300112.6S37 T38 L44 A45S37-Q41 PolarHBondContact O-N 2.98Å; T38-Q41 PolarHBondContact O-N 3.34Å; Q41-L44 PolarHBondContact O-N 3.11Å; Q41-A45 WeakPolarHBondContact O-CB 3.44Å; Q41-A45 PolarHBondContact O-N 3.48Å
42A78.7Confident64Low50 Ų50107.6 Ų107.641%0.41364%0.635SS.*Hα-helixtrans-59.9-47174.600000111.4T38 D39 L44 A45 D46T38-A42 PolarHBondContact O-N 3.45Å; D39-A42 PolarHBondContact O-N 3.05Å; A42-L44 VanDerWaalsContact C-N 3.35Å; A42-L44 PolarHBondContact O-N 3.12Å; A42-A45 WeakPolarHBondContact O-CB 3.49Å; A42-A45 PolarHBondContact O-N 3.23Å; A42-A45 VanDerWaalsContact O-N 3.09Å; A42-D46 PolarHBondContact O-N 2.9Å
43L77.3Confident64.2Low110 Ų110104.7 Ų104.758%0.57663%0.625SS**Hα-helixtrans-60.9-41.1176.6-169.969.5000112.4D39 A45 D46 I47D39-L43 WeakPolarHBondContact O-CB 3.37Å; D39-L43 PolarHBondContact O-N 3.34Å; L43-A45 VanDerWaalsContact C-N 3.32Å; L43-A45 PolarHBondContact O-N 3Å; L43-D46 PolarHBondContact O-N 3.46Å; L43-I47 HydrophobicContact CG-CD1 4.26Å; L43-I47 VanDerWaalsContact O-CG1 3.3Å; L43-I47 WeakPolarHBondContact O-CG1 3.35Å; L43-I47 PolarHBondContact O-N 3.13Å
44L78.6Confident64.1Low91 Ų91102.4 Ų102.448%0.47662%0.622SS.*Hα-helixtrans-71.5-23.2175.5-70.7171.2000113.4R40 Q41 A42 R48R40-L44 VanDerWaalsContact O-CG 3.29Å; R40-L44 WeakPolarHBondContact O-CG 3.39Å; R40-L44 PolarHBondContact O-N 3.36Å; Q41-L44 PolarHBondContact O-N 3.11Å; A42-L44 VanDerWaalsContact C-N 3.35Å; A42-L44 PolarHBondContact O-N 3.12Å; L44-R48 WeakPolarHBondContact O-CG 3.5Å; L44-R48 PolarHBondContact O-N 3.26Å; L44-R48 PolarHBondContact O-NE 3.5Å; L44-R48 VanDerWaalsContact O-NE 3.09Å
45A75.2Confident64Low44 Ų44103.3 Ų103.336%0.36462%0.618SS.*Hα-helixtrans-76-42.4171.100000111.3Q41 A42 L43 R48 R49Q41-A45 WeakPolarHBondContact O-CB 3.44Å; Q41-A45 PolarHBondContact O-N 3.48Å; A42-A45 WeakPolarHBondContact O-CB 3.49Å; A42-A45 PolarHBondContact O-N 3.23Å; A42-A45 VanDerWaalsContact O-N 3.09Å; L43-A45 VanDerWaalsContact C-N 3.32Å; L43-A45 PolarHBondContact O-N 3Å; A45-R48 PolarHBondContact O-N 3.09Å; A45-R49 WeakPolarHBondContact O-CB 3.48Å; A45-R49 PolarHBondContact O-N 3.24Å
46D74.3Confident64Low106 Ų106111.4 Ų111.457%0.56763%0.633SS**Hα-helixtrans-65.1-41.9176.3-87.4-9.6000112.4A42 L43 R48 R49 A50A42-D46 PolarHBondContact O-N 2.9Å; L43-D46 PolarHBondContact O-N 3.46Å; D46-R48 VanDerWaalsContact C-N 3.33Å; D46-R48 PolarHBondContact O-N 3Å; D46-R49 PolarHBondContact O-N 3.48Å; D46-A50 WeakPolarHBondContact O-CB 3.17Å; D46-A50 PolarHBondContact O-N 3.18Å
47I71.8Confident64.2Low105 Ų105114.5 Ų114.554%0.53864%0.637SS.*Hα-helixtrans-60.8-43.3173.7-68.3165.6000110.7L43 G51L43-I47 HydrophobicContact CG-CD1 4.26Å; L43-I47 VanDerWaalsContact O-CG1 3.3Å; L43-I47 WeakPolarHBondContact O-CG1 3.35Å; L43-I47 PolarHBondContact O-N 3.13Å; I47-G51 PolarHBondContact O-N 3.4Å
48R72.2Confident64Low169 Ų169119.5 Ų119.564%0.63865%0.648SS**Hα-helixtrans-64.1-40.2175.1-79-176.4-70.9172.5-1.5112.2L44 A45 D46 G51 S52L44-R48 WeakPolarHBondContact O-CG 3.5Å; L44-R48 PolarHBondContact O-N 3.26Å; L44-R48 PolarHBondContact O-NE 3.5Å; L44-R48 VanDerWaalsContact O-NE 3.09Å; A45-R48 PolarHBondContact O-N 3.09Å; D46-R48 VanDerWaalsContact C-N 3.33Å; D46-R48 PolarHBondContact O-N 3Å; R48-G51 PolarHBondContact O-N 3.48Å; R48-S52 WeakPolarHBondContact O-CB 3.27Å; R48-S52 PolarHBondContact O-N 2.91Å; R48-S52 VanDerWaalsContact O-N 3.08Å; R48-S52 PolarHBondContact O-OG 3.32Å
49R70.7Confident63.8Low196 Ų196120.9 Ų120.974%0.7466%0.659SS**Hα-helixtrans-67.4-42.8178.4-171.3175.8-73.7-157.9-1.7111.8A45 D46 G53A45-R49 WeakPolarHBondContact O-CB 3.48Å; A45-R49 PolarHBondContact O-N 3.24Å; D46-R49 PolarHBondContact O-N 3.48Å; R49-G53 PolarHBondContact O-N 3.11Å
50A65.7Low63.2Low87 Ų87120.4 Ų120.472%0.71966%0.661SS**Hα-helixtrans-68.7-33.9175.700000113D46D46-A50 WeakPolarHBondContact O-CB 3.17Å; D46-A50 PolarHBondContact O-N 3.18Å
51G60.8Low61.9Low72 Ų72121.1 Ų121.174%0.74267%0.669SS**Hα-helixtrans-85.2-19-177.500000116.1I47 R48I47-G51 PolarHBondContact O-N 3.4Å; R48-G51 PolarHBondContact O-N 3.48Å
52S56.2Low61Low99 Ų99119.4 Ų119.469%0.69267%0.669SS**Hα-helixtrans-109.4-19.3-175.260.50000115.1R48 G54R48-S52 WeakPolarHBondContact O-CB 3.27Å; R48-S52 PolarHBondContact O-N 2.91Å; R48-S52 VanDerWaalsContact O-N 3.08Å; R48-S52 PolarHBondContact O-OG 3.32Å; S52-G54 PolarHBondContact O-N 2.94Å
53G43.4Very low59.7Low49 Ų49124.1 Ų124.151%0.50569%0.687SS.*  trans-86.582.317900000112.8R49 V55R49-G53 PolarHBondContact O-N 3.11Å; G53-V55 PolarHBondContact O-N 3.41Å
54G41.7Very low58.3Low70 Ų70123.7 Ų123.772%0.72269%0.685SS**  trans-62.190.4178.100000113.4S52 R56S52-G54 PolarHBondContact O-N 2.94Å; G54-R56 PolarHBondContact O-N 3.22Å
55V46.9Very low57.1Low121 Ų121130.6 Ų130.673%0.73371%0.705SS**  trans-62.1103.8167.2179.60000107.5G53 L57G53-V55 PolarHBondContact O-N 3.41Å; V55-L57 HydrophobicContact CG1-CD2 4.03Å; V55-L57 PolarHBondContact O-N 3.32Å
56R46.6Very low55.8Low240 Ų240133.5 Ų133.591%0.90672%0.723SS**  trans-6585173.1-69.6176.873.5-1685.6108.8G54 K58G54-R56 PolarHBondContact O-N 3.22Å; R56-K58 PolarHBondContact O-N 3.42Å; R56-K58 VanDerWaalsContact O-N 3.11Å
57L55.8Low54.2Low149 Ų149131.9 Ų131.978%0.7872%0.724SS**  trans-58.8116.5169-63.3178.1000107.2V55V55-L57 HydrophobicContact CG1-CD2 4.03Å; V55-L57 PolarHBondContact O-N 3.32Å
58K51.9Low52.9Low187 Ų187132.5 Ų132.581%0.81374%0.735SS**  trans-52.3135.7171-78.5-177.6172.5179.60107.9R56 T60R56-K58 PolarHBondContact O-N 3.42Å; R56-K58 VanDerWaalsContact O-N 3.11Å; K58-T60 PolarHBondContact O-N 3.27Å
59P55.9Low51.5Low127 Ų127132.3 Ų132.383%0.82575%0.746SS**  trans-59.7101.1175.4-23.934.2000110.3K61P59-K61 PolarHBondContact O-N 3.32Å
60T54.8Low50Low117 Ų117129.9 Ų129.972%0.71875%0.753SS**  trans-66119170.4-550000106.9K58 T62K58-T60 PolarHBondContact O-N 3.27Å; T60-T62 HydrophobicContact CG2-CG2 4.36Å; T60-T62 PolarHBondContact O-N 3.1Å
61K45.3Very low48.7Very low210 Ų210128.6 Ų128.691%0.91375%0.748SS**  trans-68.175176.2-71.4-175.6175.6-178.40110.7P59 N63P59-K61 PolarHBondContact O-N 3.32Å; K61-N63 PolarHBondContact O-N 3.39Å
62T57.7Low47.3Very low108 Ų108128.8 Ų128.866%0.66375%0.751SS**  trans-75.5114165.146.60000108.2T60 D64T60-T62 HydrophobicContact CG2-CG2 4.36Å; T60-T62 PolarHBondContact O-N 3.1Å; T62-D64 PolarHBondContact O-N 2.9Å
63N50.1Low46.3Very low149 Ų149129.4 Ų129.480%0.79776%0.761SS**  trans-72.469.1174.6-177.921.5000110.1K61K61-N63 PolarHBondContact O-N 3.39Å
64D49Very low45.7Very low101 Ų101132 Ų13254%0.5477%0.771SS.*  trans-108.493.2178-154.6-28.6000108.3T62 S66T62-D64 PolarHBondContact O-N 2.9Å; D64-S66 PolarHBondContact O-N 2.93Å; D64-S66 WeakPolarHBondContact OD1-CB 3.43Å; D64-S66 PolarHBondContact OD1-N 3.1Å; D64-S66 PolarHBondContact OD1-OG 2.96Å
65R53Low45.4Very low237 Ų237137.5 Ų137.589%0.89478%0.778SS**THydrogen-bonded Turntrans-68.212.3179.6-72.4-177.3170.6-174.9-5.8113.5
66S48.3Very low44.6Very low105 Ų105138.2 Ų138.273%0.73478%0.784SS**THydrogen-bonded Turntrans-101-6.7-173.5-34.90000113.9D64D64-S66 PolarHBondContact O-N 2.93Å; D64-S66 WeakPolarHBondContact OD1-CB 3.43Å; D64-S66 PolarHBondContact OD1-N 3.1Å; D64-S66 PolarHBondContact OD1-OG 2.96Å
67A40.4Very low44.1Very low71 Ų71132.5 Ų132.559%0.58778%0.778SS**SBendtrans-110.8131.2-177.700000111.3N69A67-N69 PolarHBondContact O-N 3.27Å
68P44.5Very low43Very low118 Ų118136.9 Ų136.977%0.76678%0.784SS**  trans-64.8133.9174.926.8-33.2000110.5V70P68-V70 PolarHBondContact O-N 2.94Å
69N42.5Very low42.4Very low166 Ų166133.9 Ų133.989%0.88878%0.783SS**  trans-77.587.9-171.4-141.420.1000110.3A67 G71A67-N69 PolarHBondContact O-N 3.27Å; N69-G71 PolarHBondContact O-N 2.73Å; N69-G71 VanDerWaalsContact O-N 3.09Å
70V38.9Very low41.8Very low144 Ų144133.7 Ų133.787%0.87379%0.785SS**  trans-85.963168.6-168.90000109P68P68-V70 PolarHBondContact O-N 2.94Å
71G38.5Very low40.6Very low60 Ų60136.7 Ų136.762%0.61979%0.793SS**PPolyproline II helixtrans-84.7137.2167.700000109.9N69N69-G71 PolarHBondContact O-N 2.73Å; N69-G71 VanDerWaalsContact O-N 3.09Å
72G33Very low40.2Very low77 Ų77130.7 Ų130.779%0.79478%0.782SS**PPolyproline II helixtrans-71.6168.6-17000000115.7S74G72-S74 PolarHBondContact O-N 3.08Å
73A35.3Very low39.1Very low111 Ų111133.7 Ų133.792%0.91779%0.794SS**PPolyproline II helixtrans-67.1120.5-17500000114.8
74S30.8Very low38Very low103 Ų103130 Ų13072%0.7279%0.792SS**  trans-175.6109.7146.454.30000103.6G72G72-S74 PolarHBondContact O-N 3.08Å
75E33.6Very low37.1Very low186 Ų186131.3 Ų131.387%0.86981%0.806SS**  -138.8135.163.8-73.4142.3-174.200112.4P77E75-P77 WeakPolarHBondContact O-CD 3.17Å
76T31.9Very low35.8Very low137 Ų137124.5 Ų124.584%0.8480%0.8SS**PPolyproline II helixtrans-87.4117.5156.818.60000108.6
77P35.4Very low35.1Very low120 Ų120124.3 Ų124.378%0.77981%0.805SS**PPolyproline II helixtrans-59.7136.9159.2-18.332.2000108.8E75E75-P77 WeakPolarHBondContact O-CD 3.17Å
78R33.2Very low34.6Very low241 Ų241125 Ų12591%0.90981%0.81SS**PPolyproline II helixtrans-65.4145.5173.9-79.2176.5166.2174.2-5.9110.1
79P38.5Very low33.7Very low123 Ų123124 Ų12480%0.79981%0.813SS**PPolyproline II helixtrans-73.2135.1-175.630.1-34.5000111.4
80S43.9Very low33.3Very low123 Ų123120.7 Ų120.786%0.8681%0.808SS**PPolyproline II helixtrans-77.6144.6165-166.90000110
81M29.1Very low32.9Very low181 Ų181117.9 Ų117.989%0.89280%0.8SS**PPolyproline II helixtrans-79.5146.1-175.8-59.4-179.817400112.1
82A37Very low32.3Very low83 Ų83119.1 Ų119.169%0.68681%0.805SS**  171.2133123.800000112.1
83N33.6Very low32.3Very low171 Ų171122.1 Ų122.191%0.91481%0.807SS**  trans53113.9151.1-56.2-19000120.6
84G27.7Very low32.1Very low73 Ų73123 Ų12375%0.75380%0.802SS**  trans152.4119.1165.500000111.7
85P30.8Very low31.9Very low128 Ų128122 Ų12283%0.83181%0.808SS**  trans-85.7144.9-160.532.7-36.3000115.3A87P85-A87 PolarHBondContact O-N 3.26Å
86A25.9Very low31.8Very low94 Ų94117.5 Ų117.578%0.77780%0.802SS**  trans48.559.4136.600000119.2
87A32.5Very low31.7Very low101 Ų101120.2 Ų120.284%0.83580%0.802SS**  -111.572129.100000107.5P85P85-A87 PolarHBondContact O-N 3.26Å
88A30.8Very low31.8Very low84 Ų84121 Ų12169%0.69481%0.805SS**  49.275.58400000112.3A90A88-A90 PolarHBondContact O-N 3.14Å
89A24.6Very low31.7Very low99 Ų99119.6 Ų119.682%0.81880%0.799SS**  56.662.3120.600000118.4
90A35Very low32Very low96 Ų96119.8 Ų119.879%0.79380%0.801SS**  trans-138.675.5138.300000107.7A88A88-A90 PolarHBondContact O-N 3.14Å
91A29.7Very low31.8Very low85 Ų85120.4 Ų120.470%0.70280%0.8SS**  46.1103.987.900000110.8
92A26.1Very low32.5Very low86 Ų86114.5 Ų114.571%0.71179%0.785SS**  58.1138.265.100000112.8
93T32.6Very low32.9Very low139 Ų139119.4 Ų119.485%0.85380%0.796SS**  trans71.6124.8-163.178.10000112.8
94T32.3Very low34.1Very low130 Ų130115.6 Ų115.680%0.79878%0.779SS**  cis-132.9149.218.949.10000112.9A96T94-A96 PolarHBondContact O-N 3.16Å
95G26Very low36.2Very low83 Ų83116 Ų11686%0.85676%0.764SS**  trans-72.195.4-179.700000113.2K97G95-K97 PolarHBondContact O-N 3.49Å
96A31.2Very low38Very low91 Ų91114.6 Ų114.675%0.75275%0.745SS**  trans-79.166.2173.900000112.5T94 V98T94-A96 PolarHBondContact O-N 3.16Å; A96-V98 PolarHBondContact O-N 3.28Å
97K30.1Very low40.2Very low193 Ų193112 Ų11284%0.83972%0.723SS**  trans26.271.9152-160.9169-170.7169.50114.9G95 R99G95-K97 PolarHBondContact O-N 3.49Å; K97-R99 PolarHBondContact O-N 3.14Å
98V36.4Very low42.1Very low137 Ų137110.4 Ų110.483%0.8371%0.706SS**  trans-56105.5179178.20000108.8A96A96-V98 PolarHBondContact O-N 3.28Å
99R32.8Very low44.2Very low211 Ų211111.2 Ų111.280%0.79670%0.696SS**  trans-61.2147.1173.5-75.1169.2144.8176.2-8.4108.3K97 T101K97-R99 PolarHBondContact O-N 3.14Å; R99-T101 VanDerWaalsContact C-N 3.31Å; R99-T101 PolarHBondContact O-N 3.33Å
100P42.9Very low46.6Very low127 Ų127108.1 Ų108.183%0.82567%0.665SS**  trans-66.292.2175.728-34.1000109.8G102P100-G102 PolarHBondContact O-N 3.49Å
101T40Very low48.6Very low137 Ų137108 Ų10884%0.8465%0.651SS**  trans-75.656.9171440000110.2R99R99-T101 VanDerWaalsContact C-N 3.31Å; R99-T101 PolarHBondContact O-N 3.33Å
102G45Very low50.8Low57 Ų57112.6 Ų112.659%0.58865%0.65SS**  trans-122.159166.500000108P100 V104P100-G102 PolarHBondContact O-N 3.49Å; G102-V104 PolarHBondContact O-N 3.41Å
103M45.4Very low53Low185 Ų185111.4 Ų111.491%0.91164%0.64SS**  trans-65.486.7163.3-77.6-177.964.800107.1D105M103-D105 PolarHBondContact O-N 3.36Å
104V57.9Low55.2Low91 Ų91106.2 Ų106.255%0.55261%0.608SS**  trans-58.8109.9160.8-176.20000104.7G102 F106 E109G102-V104 PolarHBondContact O-N 3.41Å; V104-F106 PolarHBondContact O-N 3.18Å; V104-F106 VanDerWaalsContact O-N 3.08Å; V104-E109 HydrophobicContact CG1-CB 3.93Å
105D71.5Confident57.2Low81 Ų81105 Ų10543%0.43360%0.597SS.*  trans-53.4120.4178.1158.939000108.5M103 A107 S108 E109M103-D105 PolarHBondContact O-N 3.36Å; D105-A107 PolarHBondContact O-N 2.58Å; D105-A107 WeakPolarHBondContact OD1-CB 3.4Å; D105-A107 PolarHBondContact OD1-N 2.79Å; D105-S108 WeakPolarHBondContact O-CA 3.47Å; D105-S108 WeakPolarHBondContact O-CB 3.45Å; D105-S108 PolarHBondContact O-N 3.05Å; D105-S108 VanDerWaalsContact OD2-CB 3.24Å; D105-S108 WeakPolarHBondContact OD2-CB 3.32Å; D105-S108 PolarHBondContact OD2-N 3.19Å; D105-S108 PolarHBondContact OD2-OG 3.29Å; D105-E109 PolarHBondContact O-N 3.36Å
106F69.1Low59.6Low99 Ų99102.9 Ų102.943%0.43457%0.571SS.*Hα-helixtrans-60.3-33.1-176.9-179.8-102.6000110.9V104 E109 L110 L154 L157V104-F106 PolarHBondContact O-N 3.18Å; V104-F106 VanDerWaalsContact O-N 3.08Å; F106-E109 PolarHBondContact O-N 3Å; F106-L110 HydrophobicContact CE1-CD1 3.8Å; F106-L110 HydrophobicContact CZ-CD1 3.76Å; F106-L110 WeakPolarHBondContact O-CB 3.37Å; F106-L110 PolarHBondContact O-N 3Å; F106-L154 HydrophobicContact CD1-CD1 3.86Å; F106-L154 HydrophobicContact CE1-CD1 3.79Å; F106-L157 HydrophobicContact CD1-CD2 3.79Å; F106-L157 HydrophobicContact CE1-CD2 3.84Å; F106-L157 HydrophobicContact CG-CD2 4.19Å; F106-L157 HydrophobicContact CZ-CD2 4.29Å
107A72.6Confident61.8Low39 Ų39101.4 Ų101.432%0.32255%0.549SS..Hα-helixtrans-66-42174.700000111.6D105 L110 N111D105-A107 PolarHBondContact O-N 2.58Å; D105-A107 WeakPolarHBondContact OD1-CB 3.4Å; D105-A107 PolarHBondContact OD1-N 2.79Å; A107-L110 PolarHBondContact O-N 2.83Å; A107-N111 VanDerWaalsContact O-CB 3.28Å; A107-N111 WeakPolarHBondContact O-CB 3.28Å; A107-N111 VanDerWaalsContact O-CG 3.28Å; A107-N111 PolarHBondContact O-N 3.29Å; A107-N111 PolarHBondContact O-ND2 3.28Å; A107-N111 VanDerWaalsContact O-ND2 3.14Å
108S71.7Confident63.7Low68 Ų6895.9 Ų95.948%0.47653%0.526SS..Hα-helixtrans-62.8-42.6174.1-67.90000113.1D105 R112D105-S108 WeakPolarHBondContact O-CA 3.47Å; D105-S108 WeakPolarHBondContact O-CB 3.45Å; D105-S108 PolarHBondContact O-N 3.05Å; D105-S108 VanDerWaalsContact OD2-CB 3.24Å; D105-S108 WeakPolarHBondContact OD2-CB 3.32Å; D105-S108 PolarHBondContact OD2-N 3.19Å; D105-S108 PolarHBondContact OD2-OG 3.29Å; S108-R112 WeakPolarHBondContact O-CB 3.42Å; S108-R112 PolarHBondContact O-N 2.95Å
109E76.2Confident65.5Low102 Ų10294.5 Ų94.548%0.47751%0.511SS..Hα-helixtrans-72.8-36.2176.3-174.2155.2-150.900112.5V104 D105 F106 R112 A113V104-E109 HydrophobicContact CG1-CB 3.93Å; D105-E109 PolarHBondContact O-N 3.36Å; F106-E109 PolarHBondContact O-N 3Å; E109-R112 WeakPolarHBondContact O-CB 3.21Å; E109-R112 PolarHBondContact O-N 3.1Å; E109-A113 WeakPolarHBondContact O-CB 3.46Å; E109-A113 PolarHBondContact O-N 3.42Å
110L74.4Confident67.6Low34 Ų3491.2 Ų91.218%0.17850%0.502CS..Hα-helixtrans-63.3-46.4173.3-167.6106.8000111.3F106 A107 R112 A113 V114 V150F106-L110 HydrophobicContact CE1-CD1 3.8Å; F106-L110 HydrophobicContact CZ-CD1 3.76Å; F106-L110 WeakPolarHBondContact O-CB 3.37Å; F106-L110 PolarHBondContact O-N 3Å; A107-L110 PolarHBondContact O-N 2.83Å; L110-R112 VanDerWaalsContact C-N 3.3Å; L110-R112 PolarHBondContact O-N 3.04Å; L110-A113 PolarHBondContact O-N 3.25Å; L110-A113 VanDerWaalsContact O-N 3.12Å; L110-V114 WeakPolarHBondContact O-CG2 3.45Å; L110-V114 PolarHBondContact O-N 2.84Å; L110-V150 HydrophobicContact CD1-CG1 3.85Å; L110-V150 HydrophobicContact CD2-CG1 3.74Å; L110-V150 HydrophobicContact CG-CG1 4.07Å
111N76.9Confident68.9Low93 Ų9386.3 Ų86.350%0.49747%0.47SS..Hα-helixtrans-59.7-41.1174.3-80.1-35.4000111.3A107 A113 N115A107-N111 VanDerWaalsContact O-CB 3.28Å; A107-N111 WeakPolarHBondContact O-CB 3.28Å; A107-N111 VanDerWaalsContact O-CG 3.28Å; A107-N111 PolarHBondContact O-N 3.29Å; A107-N111 PolarHBondContact O-ND2 3.28Å; A107-N111 VanDerWaalsContact O-ND2 3.14Å; N111-A113 PolarHBondContact O-N 2.76Å; N111-N115 VanDerWaalsContact O-CB 3.25Å; N111-N115 WeakPolarHBondContact O-CB 3.42Å; N111-N115 VanDerWaalsContact O-CG 3.23Å; N111-N115 PolarHBondContact O-N 3.17Å; N111-N115 PolarHBondContact O-ND2 3.06Å
112R75.1Confident70.3Confident181 Ų18182.4 Ų82.468%0.68344%0.444SS*.Hα-helixtrans-60.1-44.5172.8-172.1-174.4-65.8-169.3-1.4111.6S108 E109 L110 A116S108-R112 WeakPolarHBondContact O-CB 3.42Å; S108-R112 PolarHBondContact O-N 2.95Å; E109-R112 WeakPolarHBondContact O-CB 3.21Å; E109-R112 PolarHBondContact O-N 3.1Å; L110-R112 VanDerWaalsContact C-N 3.3Å; L110-R112 PolarHBondContact O-N 3.04Å; R112-A116 VanDerWaalsContact O-CB 3.23Å; R112-A116 WeakPolarHBondContact O-CB 3.25Å; R112-A116 PolarHBondContact O-N 3.44Å
113A73.9Confident71.6Confident61 Ų6187.1 Ų87.150%0.50445%0.448SS..Hα-helixtrans-66.9-44.7179.100000112.9E109 L110 N111 A116 Q117E109-A113 WeakPolarHBondContact O-CB 3.46Å; E109-A113 PolarHBondContact O-N 3.42Å; L110-A113 PolarHBondContact O-N 3.25Å; L110-A113 VanDerWaalsContact O-N 3.12Å; N111-A113 PolarHBondContact O-N 2.76Å; A113-A116 PolarHBondContact O-N 3.39Å; A113-Q117 PolarHBondContact O-N 2.95Å
114V77.5Confident72.8Confident30 Ų3089 Ų8918%0.18245%0.445CS..Hα-helixtrans-62-48.8176.5171.20000110.5L110 A116 Q117 H118 L147L110-V114 WeakPolarHBondContact O-CG2 3.45Å; L110-V114 PolarHBondContact O-N 2.84Å; V114-A116 VanDerWaalsContact C-N 3.34Å; V114-A116 PolarHBondContact O-N 3.35Å; V114-Q117 PolarHBondContact O-N 3.13Å; V114-Q117 VanDerWaalsContact O-N 3.16Å; V114-H118 WeakPolarHBondContact O-CB 3.47Å; V114-H118 PolarHBondContact O-N 3.02Å; V114-L147 HydrophobicContact CG1-CD2 4.06Å; V114-L147 HydrophobicContact CG2-CD2 4.36Å
115N75.4Confident73.1Confident104 Ų10485.9 Ų85.956%0.55643%0.426SS*.Hα-helixtrans-62.2-40.4177.4-73.1-24.5000111.9N111 Q117 H118 Q119N111-N115 VanDerWaalsContact O-CB 3.25Å; N111-N115 WeakPolarHBondContact O-CB 3.42Å; N111-N115 VanDerWaalsContact O-CG 3.23Å; N111-N115 PolarHBondContact O-N 3.17Å; N111-N115 PolarHBondContact O-ND2 3.06Å; N115-Q117 PolarHBondContact O-N 2.93Å; N115-H118 PolarHBondContact O-N 3.3Å; N115-Q119 WeakPolarHBondContact O-CB 3.33Å; N115-Q119 WeakPolarHBondContact O-CG 3.35Å; N115-Q119 PolarHBondContact O-N 3.03Å
116A75.6Confident72.9Confident39 Ų3989.2 Ų89.232%0.32244%0.444SS..Hα-helixtrans-64.8-35.8174.900000112.9R112 A113 V114 K120R112-A116 VanDerWaalsContact O-CB 3.23Å; R112-A116 WeakPolarHBondContact O-CB 3.25Å; R112-A116 PolarHBondContact O-N 3.44Å; A113-A116 PolarHBondContact O-N 3.39Å; V114-A116 VanDerWaalsContact C-N 3.34Å; V114-A116 PolarHBondContact O-N 3.35Å; A116-K120 WeakPolarHBondContact O-CB 3.42Å; A116-K120 WeakPolarHBondContact O-CD 3.27Å; A116-K120 WeakPolarHBondContact O-CG 3.22Å; A116-K120 PolarHBondContact O-N 2.85Å; A116-K120 VanDerWaalsContact O-N 3.07Å
117Q76.8Confident72.4Confident60 Ų6086.8 Ų86.828%0.2845%0.447SS..Hα-helixtrans-72.2-38.5174.3-177.1167-67.800112.3A113 V114 N115 K120 T121 F143 F146A113-Q117 PolarHBondContact O-N 2.95Å; V114-Q117 PolarHBondContact O-N 3.13Å; V114-Q117 VanDerWaalsContact O-N 3.16Å; N115-Q117 PolarHBondContact O-N 2.93Å; Q117-K120 PolarHBondContact O-N 3.3Å; Q117-T121 WeakPolarHBondContact O-CB 3.2Å; Q117-T121 PolarHBondContact O-N 2.86Å; Q117-T121 PolarHBondContact O-OG1 2.89Å; Q117-F143 HydrophobicContact CG-CE2 4.39Å; Q117-F146 VanDerWaalsContact NE2-CE1 3.31Å
118H71.2Confident71.4Confident77 Ų7793.6 Ų93.636%0.35646%0.464SS..Hα-helixtrans-63.3-47.9176.3-166.180.3000110.7V114 N115 K120 T121 L122 F143V114-H118 WeakPolarHBondContact O-CB 3.47Å; V114-H118 PolarHBondContact O-N 3.02Å; N115-H118 PolarHBondContact O-N 3.3Å; H118-K120 PolarHBondContact O-N 2.93Å; H118-T121 WeakPolarHBondContact O-CB 3.37Å; H118-T121 PolarHBondContact O-N 3.36Å; H118-T121 VanDerWaalsContact O-N 3.1Å; H118-L122 VanDerWaalsContact CD2-CD1 3.45Å; H118-L122 WeakPolarHBondContact CD2-CD1 3.23Å; H118-L122 PolarHBondContact O-N 2.94Å; H118-F143 AromaticContact ND1-CZ 3.63Å
119Q74.4Confident70.4Confident109 Ų10994.5 Ų94.551%0.50946%0.464SS..Hα-helixtrans-54.2-47.4170.8-79.5-84.6-12.600112.9N115 T121 K123N115-Q119 WeakPolarHBondContact O-CB 3.33Å; N115-Q119 WeakPolarHBondContact O-CG 3.35Å; N115-Q119 PolarHBondContact O-N 3.03Å; Q119-T121 VanDerWaalsContact C-N 3.29Å; Q119-T121 PolarHBondContact O-N 3.01Å; Q119-K123 WeakPolarHBondContact O-CB 3.32Å; Q119-K123 VanDerWaalsContact O-CG 3.32Å; Q119-K123 WeakPolarHBondContact O-CG 3.35Å; Q119-K123 PolarHBondContact O-N 3.19Å
120K76.1Confident69.2Low141 Ų14192.2 Ų92.261%0.61346%0.457SS*.Hα-helixtrans-63.1-35176.4-75.1166.5-173.7170.30112.5A116 Q117 H118 R124A116-K120 WeakPolarHBondContact O-CB 3.42Å; A116-K120 WeakPolarHBondContact O-CD 3.27Å; A116-K120 WeakPolarHBondContact O-CG 3.22Å; A116-K120 PolarHBondContact O-N 2.85Å; A116-K120 VanDerWaalsContact O-N 3.07Å; Q117-K120 PolarHBondContact O-N 3.3Å; H118-K120 PolarHBondContact O-N 2.93Å; K120-R124 WeakPolarHBondContact O-CG 3.45Å; K120-R124 PolarHBondContact O-N 3.22Å
121T70.6Confident68.1Low25 Ų2595.3 Ų95.315%0.15348%0.477CS..Hα-helixtrans-71.1-51.2178.4-54.20000110.6Q117 H118 Q119 K123 R124 T125 L129 L139Q117-T121 WeakPolarHBondContact O-CB 3.2Å; Q117-T121 PolarHBondContact O-N 2.86Å; Q117-T121 PolarHBondContact O-OG1 2.89Å; H118-T121 WeakPolarHBondContact O-CB 3.37Å; H118-T121 PolarHBondContact O-N 3.36Å; H118-T121 VanDerWaalsContact O-N 3.1Å; Q119-T121 VanDerWaalsContact C-N 3.29Å; Q119-T121 PolarHBondContact O-N 3.01Å; T121-K123 VanDerWaalsContact C-N 3.29Å; T121-K123 PolarHBondContact O-N 3.42Å; T121-R124 PolarHBondContact O-N 3.11Å; T121-T125 HydrophobicContact CG2-CG2 4.42Å; T121-T125 PolarHBondContact O-N 3.23Å; T121-T125 PolarHBondContact O-OG1 3.46Å; T121-T125 VanDerWaalsContact O-OG1 3.13Å; T121-L129 HydrophobicContact CG2-CD2 4.29Å; T121-L139 HydrophobicContact CG2-CD2 4.47Å
122L68.4Low67Low55 Ų5595.5 Ų95.529%0.28849%0.486SS..Hα-helixtrans-54.5-42.3175.6-76.8168.1000112.7H118 T125 N126 G127H118-L122 VanDerWaalsContact CD2-CD1 3.45Å; H118-L122 WeakPolarHBondContact CD2-CD1 3.23Å; H118-L122 PolarHBondContact O-N 2.94Å; L122-T125 PolarHBondContact O-N 3.49Å; L122-T125 PolarHBondContact O-OG1 3.36Å; L122-N126 PolarHBondContact O-N 3.04Å; L122-G127 PolarHBondContact O-N 2.9Å
123K72.9Confident65.9Low155 Ų15588.4 Ų88.467%0.67447%0.468SS*.Hα-helixtrans-66.7-34.8176.1-72.2179.2-177.3-170.80113Q119 T121Q119-K123 WeakPolarHBondContact O-CB 3.32Å; Q119-K123 VanDerWaalsContact O-CG 3.32Å; Q119-K123 WeakPolarHBondContact O-CG 3.35Å; Q119-K123 PolarHBondContact O-N 3.19Å; T121-K123 VanDerWaalsContact C-N 3.29Å; T121-K123 PolarHBondContact O-N 3.42Å
124R70.1Confident65.2Low225 Ų22589.1 Ų89.185%0.84947%0.474SS*.Hα-helixtrans-74.6-27.4174.6-79179.1173.4-179.8-2.7113.4K120 T121K120-R124 WeakPolarHBondContact O-CG 3.45Å; K120-R124 PolarHBondContact O-N 3.22Å; T121-R124 PolarHBondContact O-N 3.11Å
125T64.4Low64.5Low26 Ų2691.5 Ų91.516%0.1650%0.497CS..THydrogen-bonded Turntrans-97.62.7-17959.60000113.6T121 L122 G127 R128 L129 L139T121-T125 HydrophobicContact CG2-CG2 4.42Å; T121-T125 PolarHBondContact O-N 3.23Å; T121-T125 PolarHBondContact O-OG1 3.46Å; T121-T125 VanDerWaalsContact O-OG1 3.13Å; L122-T125 PolarHBondContact O-N 3.49Å; L122-T125 PolarHBondContact O-OG1 3.36Å; T125-G127 PolarHBondContact O-N 2.78Å; T125-R128 WeakPolarHBondContact O-CA 3.5Å; T125-R128 VanDerWaalsContact O-CB 3.25Å; T125-R128 WeakPolarHBondContact O-CB 3.45Å; T125-R128 PolarHBondContact O-N 2.84Å; T125-L129 HydrophobicContact CG2-CD2 4.31Å; T125-L139 HydrophobicContact CG2-CD2 3.74Å
126N67.3Low63.7Low150 Ų15087.6 Ų87.680%0.80248%0.482SS*.THydrogen-bonded Turntrans49.643.4-171.3-66.8-31000112.1L122 R128L122-N126 PolarHBondContact O-N 3.04Å; N126-R128 PolarHBondContact O-N 2.93Å
127G58.3Low63.4Low49 Ų4992.3 Ų92.351%0.50550%0.495SS..THydrogen-bonded Turntrans71.1-13.2-173.300000115L122 T125 L129L122-G127 PolarHBondContact O-N 2.9Å; T125-G127 PolarHBondContact O-N 2.78Å; G127-L129 PolarHBondContact O-N 2.96Å
128R51.9Low63.2Low181 Ų18198.7 Ų98.768%0.68352%0.517SS*.  trans-8473.5-173-154.8179.1-166.7-1581.5112T125 N126 T130T125-R128 WeakPolarHBondContact O-CA 3.5Å; T125-R128 VanDerWaalsContact O-CB 3.25Å; T125-R128 WeakPolarHBondContact O-CB 3.45Å; T125-R128 PolarHBondContact O-N 2.84Å; N126-R128 PolarHBondContact O-N 2.93Å; R128-T130 HydrophobicContact CG-CG2 3.53Å; R128-T130 PolarHBondContact O-N 2.6Å
129L51.9Low63.2Low88 Ų8898.6 Ų98.646%0.46152%0.518SS..  trans-72.551.7160.4-72.4173.6000111T121 T125 G127 T131T121-L129 HydrophobicContact CG2-CD2 4.29Å; T125-L129 HydrophobicContact CG2-CD2 4.31Å; G127-L129 PolarHBondContact O-N 2.96Å; L129-T131 PolarHBondContact O-N 2.82Å
130T51.2Low63.2Low54 Ų5494.5 Ų94.533%0.33150%0.503SS..  trans-69.5106.817539.70000110.4R128 S132R128-T130 HydrophobicContact CG-CG2 3.53Å; R128-T130 PolarHBondContact O-N 2.6Å; T130-S132 PolarHBondContact O-N 3.21Å
131T51.5Low63.2Low99 Ų9990.6 Ų90.661%0.60750%0.497SS*.THydrogen-bonded Turntrans-65.4-8173.749.60000113.8L129 K137L129-T131 PolarHBondContact O-N 2.82Å; T131-K137 VanDerWaalsContact O-CE 3.22Å; T131-K137 WeakPolarHBondContact O-CE 3.48Å; T131-K137 VanDerWaalsContact O-CG 3.27Å; T131-K137 WeakPolarHBondContact O-CG 3.42Å
132S53.5Low63.7Low97 Ų9796.8 Ų96.868%0.67852%0.522SS*.THydrogen-bonded Turntrans-71.9-28-179.353.60000114.4T130T130-S132 PolarHBondContact O-N 3.21Å
133G51.3Low64.3Low31 Ų3196 Ų9632%0.3252%0.516SS..SBendtrans-87.9142.5178.100000113.1A135 G136 K137G133-A135 PolarHBondContact O-N 3.33Å; G133-G136 CarbonylContact O-C 3.58Å; G133-G136 WeakPolarHBondContact O-CA 3.22Å; G133-G136 PolarHBondContact O-N 3.07Å; G133-K137 PolarHBondContact O-N 3.42Å
134A60.4Low64.7Low76 Ų7696.3 Ų96.363%0.62851%0.514SS*.Hα-helixtrans-56.5-33.2173.600000112.9R138A134-R138 WeakPolarHBondContact O-CG 3.09Å; A134-R138 PolarHBondContact O-N 3.13Å
135A61Low65.4Low80 Ų8092.1 Ų92.166%0.66150%0.502SS*.Hα-helixtrans-66.4-40.6170.900000112.7G133 R138 L139G133-A135 PolarHBondContact O-N 3.33Å; A135-R138 PolarHBondContact O-N 2.87Å; A135-L139 PolarHBondContact O-N 3.41Å
136G59Low66.3Low23 Ų2394.8 Ų94.824%0.23751%0.512CS..Hα-helixtrans-62.5-46.2174.200000111.9G133 R138 L139 A140G133-G136 CarbonylContact O-C 3.58Å; G133-G136 WeakPolarHBondContact O-CA 3.22Å; G133-G136 PolarHBondContact O-N 3.07Å; G136-R138 PolarHBondContact O-N 3.16Å; G136-L139 PolarHBondContact O-N 2.93Å; G136-A140 WeakPolarHBondContact O-CB 3.12Å; G136-A140 PolarHBondContact O-N 3.47Å
137K70.4Confident67.2Low137 Ų13790.2 Ų90.260%0.59649%0.487SS*.Hα-helixtrans-58-45.4173.4-65.1-174.9179.6-177.40111.9T131 G133 L139 A140 A141T131-K137 VanDerWaalsContact O-CE 3.22Å; T131-K137 WeakPolarHBondContact O-CE 3.48Å; T131-K137 VanDerWaalsContact O-CG 3.27Å; T131-K137 WeakPolarHBondContact O-CG 3.42Å; G133-K137 PolarHBondContact O-N 3.42Å; K137-L139 PolarHBondContact O-N 3.1Å; K137-A140 PolarHBondContact O-N 2.9Å; K137-A141 VanDerWaalsContact O-CB 3.28Å; K137-A141 WeakPolarHBondContact O-CB 3.28Å; K137-A141 PolarHBondContact O-N 2.98Å
138R71.9Confident68.4Low195 Ų19594.2 Ų94.274%0.73649%0.491SS*.Hα-helixtrans-64.1-36.9176-76.7179.7176.9-177.10.2113.4A134 A135 G136 K142A134-R138 WeakPolarHBondContact O-CG 3.09Å; A134-R138 PolarHBondContact O-N 3.13Å; A135-R138 PolarHBondContact O-N 2.87Å; G136-R138 PolarHBondContact O-N 3.16Å; R138-K142 WeakPolarHBondContact O-CG 3.41Å; R138-K142 PolarHBondContact O-N 3.03Å
139L72.2Confident70.1Confident75 Ų7589.2 Ų89.239%0.39348%0.477SS..Hα-helixtrans-73.1-43.6177.5-175.163.1000111.6T121 T125 A135 G136 K137 K142 F143T121-L139 HydrophobicContact CG2-CD2 4.47Å; T125-L139 HydrophobicContact CG2-CD2 3.74Å; A135-L139 PolarHBondContact O-N 3.41Å; G136-L139 PolarHBondContact O-N 2.93Å; K137-L139 PolarHBondContact O-N 3.1Å; L139-K142 PolarHBondContact O-N 2.76Å; L139-F143 PolarHBondContact O-N 3.03Å
140A73.4Confident71.6Confident22 Ų2286.3 Ų86.318%0.18246%0.463CS..Hα-helixtrans-59.5-47.7174.200000111G136 K137 K142 F143 Y144G136-A140 WeakPolarHBondContact O-CB 3.12Å; G136-A140 PolarHBondContact O-N 3.47Å; K137-A140 PolarHBondContact O-N 2.9Å; A140-K142 VanDerWaalsContact C-N 3.32Å; A140-K142 PolarHBondContact O-N 3.49Å; A140-F143 WeakPolarHBondContact O-CB 3.41Å; A140-F143 PolarHBondContact O-N 3.34Å; A140-Y144 HydrophobicContact CB-CD2 4.32Å; A140-Y144 HydrophobicContact CB-CE2 4.16Å; A140-Y144 WeakPolarHBondContact O-CD2 3.46Å; A140-Y144 PolarHBondContact O-N 3.04Å
141A76.5Confident73.2Confident59 Ų5990.8 Ų90.849%0.48847%0.473SS..Hα-helixtrans-57-42.6176.300000112.5K137 F143 F145K137-A141 VanDerWaalsContact O-CB 3.28Å; K137-A141 WeakPolarHBondContact O-CB 3.28Å; K137-A141 PolarHBondContact O-N 2.98Å; A141-F143 PolarHBondContact O-N 3.22Å; A141-F145 WeakPolarHBondContact O-CB 3.32Å; A141-F145 PolarHBondContact O-N 2.99Å
142K80.8Confident74.8Confident155 Ų15588.9 Ų88.967%0.67446%0.462SS*.Hα-helixtrans-63.4-38.8173.8-74.8176179.3-176.40112.7R138 L139 A140 F146R138-K142 WeakPolarHBondContact O-CG 3.41Å; R138-K142 PolarHBondContact O-N 3.03Å; L139-K142 PolarHBondContact O-N 2.76Å; A140-K142 VanDerWaalsContact C-N 3.32Å; A140-K142 PolarHBondContact O-N 3.49Å; K142-F146 WeakPolarHBondContact O-CB 3.44Å; K142-F146 PolarHBondContact O-N 3.29Å
143F80.6Confident76.1Confident40 Ų4087.5 Ų87.518%0.17545%0.451CS..Hα-helixtrans-68.5-46.4177.8-175.2-102.7000111.8Q117 H118 L139 A140 A141 F146 L147Q117-F143 HydrophobicContact CG-CE2 4.39Å; H118-F143 AromaticContact ND1-CZ 3.63Å; L139-F143 PolarHBondContact O-N 3.03Å; A140-F143 WeakPolarHBondContact O-CB 3.41Å; A140-F143 PolarHBondContact O-N 3.34Å; A141-F143 PolarHBondContact O-N 3.22Å; F143-F146 PolarHBondContact O-N 2.88Å; F143-L147 HydrophobicContact CD1-CD1 3.94Å; F143-L147 HydrophobicContact CD1-CG 4.47Å; F143-L147 HydrophobicContact CE1-CD1 3.46Å; F143-L147 VanDerWaalsContact CE1-CD1 3.46Å; F143-L147 HydrophobicContact CE1-CG 4.17Å; F143-L147 HydrophobicContact CZ-CD1 3.97Å; F143-L147 HydrophobicContact CZ-CG 4.32Å; F143-L147 WeakPolarHBondContact O-CG 3.42Å; F143-L147 PolarHBondContact O-N 2.82Å
144Y82.2Confident77.5Confident161 Ų16188 Ų8863%0.63145%0.446SS*.Hα-helixtrans-63.6-40.6174.8-72-62.9000112.5A140 F146 L147 F148A140-Y144 HydrophobicContact CB-CD2 4.32Å; A140-Y144 HydrophobicContact CB-CE2 4.16Å; A140-Y144 WeakPolarHBondContact O-CD2 3.46Å; A140-Y144 PolarHBondContact O-N 3.04Å; Y144-F146 PolarHBondContact O-N 2.89Å; Y144-L147 PolarHBondContact O-N 2.65Å; Y144-F148 WeakPolarHBondContact O-CB 3.47Å; Y144-F148 PolarHBondContact O-N 2.93Å
145F84.1Confident78.3Confident136 Ų13687.3 Ų87.360%0.59644%0.436SS*.Hα-helixtrans-64.3-38.9175.6-174.9-107.4000112.4A141 F148 I149A141-F145 WeakPolarHBondContact O-CB 3.32Å; A141-F145 PolarHBondContact O-N 2.99Å; F145-F148 PolarHBondContact O-N 3.1Å; F145-I149 HydrophobicContact CD1-CD1 3.85Å; F145-I149 HydrophobicContact CE1-CD1 3.43Å; F145-I149 VanDerWaalsContact CE1-CD1 3.43Å; F145-I149 HydrophobicContact CE1-CG1 4.41Å; F145-I149 HydrophobicContact CZ-CD1 3.84Å; F145-I149 HydrophobicContact CZ-CG1 4.46Å; F145-I149 WeakPolarHBondContact O-CG1 3.47Å; F145-I149 PolarHBondContact O-N 2.98Å
146F83.4Confident79Confident83 Ų8389 Ų8936%0.36443%0.433SS..Hα-helixtrans-63.6-46172.2177.7-91000112Q117 K142 F143 Y144 F148 I149 V150Q117-F146 VanDerWaalsContact NE2-CE1 3.31Å; K142-F146 WeakPolarHBondContact O-CB 3.44Å; K142-F146 PolarHBondContact O-N 3.29Å; F143-F146 PolarHBondContact O-N 2.88Å; Y144-F146 PolarHBondContact O-N 2.89Å; F146-F148 VanDerWaalsContact C-N 3.29Å; F146-F148 PolarHBondContact O-N 3.49Å; F146-I149 PolarHBondContact O-N 2.86Å; F146-V150 HydrophobicContact CD1-CG2 4.16Å; F146-V150 HydrophobicContact CE1-CG2 3.71Å; F146-V150 HydrophobicContact CE2-CG2 4.46Å; F146-V150 HydrophobicContact CZ-CG2 3.89Å; F146-V150 WeakPolarHBondContact O-CB 3.44Å; F146-V150 WeakPolarHBondContact O-CG2 3.41Å; F146-V150 PolarHBondContact O-N 2.78Å
147L85Confident79.8Confident54 Ų5492.3 Ų92.328%0.28345%0.445SS..Hα-helixtrans-61.2-37.1175.1-74.3-178.2000112.4V114 F143 Y144 V150 R151V114-L147 HydrophobicContact CG1-CD2 4.06Å; V114-L147 HydrophobicContact CG2-CD2 4.36Å; F143-L147 HydrophobicContact CD1-CD1 3.94Å; F143-L147 HydrophobicContact CD1-CG 4.47Å; F143-L147 HydrophobicContact CE1-CD1 3.46Å; F143-L147 VanDerWaalsContact CE1-CD1 3.46Å; F143-L147 HydrophobicContact CE1-CG 4.17Å; F143-L147 HydrophobicContact CZ-CD1 3.97Å; F143-L147 HydrophobicContact CZ-CG 4.32Å; F143-L147 WeakPolarHBondContact O-CG 3.42Å; F143-L147 PolarHBondContact O-N 2.82Å; Y144-L147 PolarHBondContact O-N 2.65Å; L147-V150 PolarHBondContact O-N 3.47Å; L147-R151 WeakPolarHBondContact O-CB 3.46Å; L147-R151 PolarHBondContact O-N 3.44Å
148F84.6Confident79.8Confident133 Ų13390 Ų9058%0.58344%0.437SS*.Hα-helixtrans-64.6-47.6175.5179.1-98.3000111.8Y144 F145 F146 V150 R151 V152Y144-F148 WeakPolarHBondContact O-CB 3.47Å; Y144-F148 PolarHBondContact O-N 2.93Å; F145-F148 PolarHBondContact O-N 3.1Å; F146-F148 VanDerWaalsContact C-N 3.29Å; F146-F148 PolarHBondContact O-N 3.49Å; F148-V150 VanDerWaalsContact C-N 3.31Å; F148-V150 PolarHBondContact O-N 2.74Å; F148-R151 WeakPolarHBondContact O-CB 3.47Å; F148-R151 PolarHBondContact O-N 2.9Å; F148-V152 HydrophobicContact CD1-CG2 4.27Å; F148-V152 HydrophobicContact CE1-CG2 3.85Å; F148-V152 HydrophobicContact CE2-CG2 4.16Å; F148-V152 HydrophobicContact CZ-CG2 3.79Å; F148-V152 WeakPolarHBondContact O-CG2 3.25Å; F148-V152 PolarHBondContact O-N 3.22Å
149I87.1Confident79.4Confident76 Ų7683.3 Ų83.339%0.3942%0.423SS..Hα-helixtrans-58.2-45.7173.9-71.1167000110.6F145 F146 R151 V152 C153F145-I149 HydrophobicContact CD1-CD1 3.85Å; F145-I149 HydrophobicContact CE1-CD1 3.43Å; F145-I149 VanDerWaalsContact CE1-CD1 3.43Å; F145-I149 HydrophobicContact CE1-CG1 4.41Å; F145-I149 HydrophobicContact CZ-CD1 3.84Å; F145-I149 HydrophobicContact CZ-CG1 4.46Å; F145-I149 WeakPolarHBondContact O-CG1 3.47Å; F145-I149 PolarHBondContact O-N 2.98Å; F146-I149 PolarHBondContact O-N 2.86Å; I149-R151 VanDerWaalsContact C-N 3.34Å; I149-R151 PolarHBondContact O-N 2.82Å; I149-V152 PolarHBondContact O-N 2.85Å; I149-C153 WeakPolarHBondContact O-CB 3.47Å; I149-C153 PolarHBondContact O-N 2.99Å; I149-C153 PolarHBondContact O-SG 3.45Å; I149-C153 VanDerWaalsContact O-SG 3.33Å
150V84Confident79.1Confident27 Ų2782.4 Ų82.416%0.16443%0.426CS..Hα-helixtrans-58.3-44.2176.6160.20000111.7L110 F146 L147 F148 C153 L154L110-V150 HydrophobicContact CD1-CG1 3.85Å; L110-V150 HydrophobicContact CD2-CG1 3.74Å; L110-V150 HydrophobicContact CG-CG1 4.07Å; F146-V150 HydrophobicContact CD1-CG2 4.16Å; F146-V150 HydrophobicContact CE1-CG2 3.71Å; F146-V150 HydrophobicContact CE2-CG2 4.46Å; F146-V150 HydrophobicContact CZ-CG2 3.89Å; F146-V150 WeakPolarHBondContact O-CB 3.44Å; F146-V150 WeakPolarHBondContact O-CG2 3.41Å; F146-V150 PolarHBondContact O-N 2.78Å; L147-V150 PolarHBondContact O-N 3.47Å; F148-V150 VanDerWaalsContact C-N 3.31Å; F148-V150 PolarHBondContact O-N 2.74Å; V150-C153 PolarHBondContact O-N 3.22Å; V150-L154 WeakPolarHBondContact O-CB 3.36Å; V150-L154 PolarHBondContact O-N 3.47Å
151R84.4Confident78.5Confident147 Ų14785 Ų8556%0.55544%0.443SS*.Hα-helixtrans-62.3-46.3176.6-16978.8173.6121.11.3111.6L147 F148 I149 L154 C155L147-R151 WeakPolarHBondContact O-CB 3.46Å; L147-R151 PolarHBondContact O-N 3.44Å; F148-R151 WeakPolarHBondContact O-CB 3.47Å; F148-R151 PolarHBondContact O-N 2.9Å; I149-R151 VanDerWaalsContact C-N 3.34Å; I149-R151 PolarHBondContact O-N 2.82Å; R151-L154 PolarHBondContact O-N 3.41Å; R151-C155 PolarHBondContact O-N 2.97Å; R151-C155 PolarHBondContact O-SG 2.91Å; R151-C155 VanDerWaalsContact O-SG 3.37Å
152V84.4Confident77.4Confident60 Ų6086.8 Ų86.836%0.36444%0.444SS..Hα-helixtrans-64.5-42.8178.3171.60000111.3F148 I149 L154 C155 L156F148-V152 HydrophobicContact CD1-CG2 4.27Å; F148-V152 HydrophobicContact CE1-CG2 3.85Å; F148-V152 HydrophobicContact CE2-CG2 4.16Å; F148-V152 HydrophobicContact CZ-CG2 3.79Å; F148-V152 WeakPolarHBondContact O-CG2 3.25Å; F148-V152 PolarHBondContact O-N 3.22Å; I149-V152 PolarHBondContact O-N 2.85Å; V152-L154 VanDerWaalsContact C-N 3.33Å; V152-L154 PolarHBondContact O-N 2.91Å; V152-C155 PolarHBondContact O-N 3.4Å; V152-L156 HydrophobicContact CG1-CD1 3.93Å; V152-L156 HydrophobicContact CG1-CG 4.5Å; V152-L156 WeakPolarHBondContact O-CB 3.17Å; V152-L156 WeakPolarHBondContact O-CG 3.36Å; V152-L156 PolarHBondContact O-N 3.19Å
153C81.7Confident76Confident68 Ų6885.8 Ų85.846%0.45945%0.446SS..Hα-helixtrans-61.9-39.4174.4-72.70000112.2I149 V150 L156 L157I149-C153 WeakPolarHBondContact O-CB 3.47Å; I149-C153 PolarHBondContact O-N 2.99Å; I149-C153 PolarHBondContact O-SG 3.45Å; I149-C153 VanDerWaalsContact O-SG 3.33Å; V150-C153 PolarHBondContact O-N 3.22Å; C153-L156 PolarHBondContact O-N 3.33Å; C153-L157 WeakPolarHBondContact O-CB 3.49Å; C153-L157 PolarHBondContact O-N 3.08Å
154L80.7Confident74.4Confident41 Ų4188.4 Ų88.422%0.21547%0.469CS..Hα-helixtrans-63.4-49.2175.9-169.869.9000111.1F106 V150 R151 V152 L156 L157 E158F106-L154 HydrophobicContact CD1-CD1 3.86Å; F106-L154 HydrophobicContact CE1-CD1 3.79Å; V150-L154 WeakPolarHBondContact O-CB 3.36Å; V150-L154 PolarHBondContact O-N 3.47Å; R151-L154 PolarHBondContact O-N 3.41Å; V152-L154 VanDerWaalsContact C-N 3.33Å; V152-L154 PolarHBondContact O-N 2.91Å; L154-L156 VanDerWaalsContact C-N 3.33Å; L154-L156 PolarHBondContact O-N 3.22Å; L154-L157 PolarHBondContact O-N 3.5Å; L154-L157 VanDerWaalsContact O-N 3.16Å; L154-E158 WeakPolarHBondContact O-CB 3.39Å; L154-E158 PolarHBondContact O-N 3.29Å
155C76.1Confident72.5Confident61 Ų6188.6 Ų88.641%0.41248%0.476SS..Hα-helixtrans-62.1-36.6177.8-65.50000113.1R151 V152 A159R151-C155 PolarHBondContact O-N 2.97Å; R151-C155 PolarHBondContact O-SG 2.91Å; R151-C155 VanDerWaalsContact O-SG 3.37Å; V152-C155 PolarHBondContact O-N 3.4Å; C155-A159 WeakPolarHBondContact O-CB 3.46Å; C155-A159 PolarHBondContact O-N 3.43Å
156L76Confident70.3Confident115 Ų11586.3 Ų86.360%0.60248%0.483SS*.Hα-helixtrans-68-37.3174.6-75.5168000112.6V152 C153 L154 A160V152-L156 HydrophobicContact CG1-CD1 3.93Å; V152-L156 HydrophobicContact CG1-CG 4.5Å; V152-L156 WeakPolarHBondContact O-CB 3.17Å; V152-L156 WeakPolarHBondContact O-CG 3.36Å; V152-L156 PolarHBondContact O-N 3.19Å; C153-L156 PolarHBondContact O-N 3.33Å; L154-L156 VanDerWaalsContact C-N 3.33Å; L154-L156 PolarHBondContact O-N 3.22Å; L156-A160 PolarHBondContact O-N 2.95Å; L156-A160 VanDerWaalsContact O-N 3.14Å
157L76.3Confident68.1Low94 Ų9487.5 Ų87.549%0.49250%0.496SS..Hα-helixtrans-71.7-38177.8-15774.5000111.5F106 C153 L154 A160 S161F106-L157 HydrophobicContact CD1-CD2 3.79Å; F106-L157 HydrophobicContact CE1-CD2 3.84Å; F106-L157 HydrophobicContact CG-CD2 4.19Å; F106-L157 HydrophobicContact CZ-CD2 4.29Å; C153-L157 WeakPolarHBondContact O-CB 3.49Å; C153-L157 PolarHBondContact O-N 3.08Å; L154-L157 PolarHBondContact O-N 3.5Å; L154-L157 VanDerWaalsContact O-N 3.16Å; L157-A160 PolarHBondContact O-N 2.87Å; L157-S161 WeakPolarHBondContact O-CB 3.18Å; L157-S161 PolarHBondContact O-N 3.41Å
158E71Confident65.6Low89 Ų8990.4 Ų90.442%0.41652%0.517SS..Hα-helixtrans-67.8-40.6175.9-171.3165.7-158.100111.8L154 S161 N162L154-E158 WeakPolarHBondContact O-CB 3.39Å; L154-E158 PolarHBondContact O-N 3.29Å; E158-S161 PolarHBondContact O-N 2.93Å; E158-N162 PolarHBondContact O-N 3.37Å; E158-N162 PolarHBondContact O-ND2 3.12Å
159A63.7Low63.2Low53 Ų5393.5 Ų93.544%0.43853%0.53SS..Hα-helixtrans-59-49.1170.700000111.9C155 S161 N162 D163C155-A159 WeakPolarHBondContact O-CB 3.46Å; C155-A159 PolarHBondContact O-N 3.43Å; A159-S161 VanDerWaalsContact C-N 3.25Å; A159-S161 PolarHBondContact O-N 3.34Å; A159-N162 PolarHBondContact O-N 2.94Å; A159-D163 PolarHBondContact O-N 2.86Å
160A64.2Low60.5Low57 Ų57101.1 Ų101.147%0.47155%0.553SS.*Hα-helixtrans-63.5-28.8177.100000113.4L156 L157 S164L156-A160 PolarHBondContact O-N 2.95Å; L156-A160 VanDerWaalsContact O-N 3.14Å; L157-A160 PolarHBondContact O-N 2.87Å; A160-S164 PolarHBondContact O-OG 2.86Å
161S60.8Low58.1Low75 Ų75105.7 Ų105.752%0.52458%0.584SS.*Hα-helixtrans-74.7-36174.7-168.40000112.6L157 E158 A159 S164L157-S161 WeakPolarHBondContact O-CB 3.18Å; L157-S161 PolarHBondContact O-N 3.41Å; E158-S161 PolarHBondContact O-N 2.93Å; A159-S161 VanDerWaalsContact C-N 3.25Å; A159-S161 PolarHBondContact O-N 3.34Å; S161-S164 WeakPolarHBondContact O-CB 3.27Å; S161-S164 PolarHBondContact O-N 3.42Å
162N55.2Low55.6Low98 Ų98105.1 Ų105.152%0.52460%0.596SS.*Hα-helixtrans-70.8-36.3-179.4-80.9-55.2000112.6E158 A159 S164 Q165E158-N162 PolarHBondContact O-N 3.37Å; E158-N162 PolarHBondContact O-ND2 3.12Å; A159-N162 PolarHBondContact O-N 2.94Å; N162-S164 PolarHBondContact O-N 2.84Å; N162-S164 VanDerWaalsContact O-N 3.1Å; N162-Q165 PolarHBondContact O-N 2.95Å
163D50.5Low53.3Low133 Ų133108.6 Ų108.671%0.71162%0.617SS**G310 helixtrans-58.9-22.5172-77.4-31.7000112.9A159A159-D163 PolarHBondContact O-N 2.86Å
164S46.5Very low50.8Low95 Ų95109 Ų10966%0.66462%0.619SS**G310 helixtrans-82.2-11.3-177.9-58.50000114.5A160 S161 N162A160-S164 PolarHBondContact O-OG 2.86Å; S161-S164 WeakPolarHBondContact O-CB 3.27Å; S161-S164 PolarHBondContact O-N 3.42Å; N162-S164 PolarHBondContact O-N 2.84Å; N162-S164 VanDerWaalsContact O-N 3.1Å
165Q42.1Very low48.1Very low166 Ų166114 Ų11478%0.77665%0.646SS**G310 helixtrans-98.3-6.1-178.8-74.7-78.16.600113.8N162 V167N162-Q165 PolarHBondContact O-N 2.95Å; Q165-V167 VanDerWaalsContact C-N 3.28Å; Q165-V167 PolarHBondContact O-N 3.41Å
166A38.9Very low45.9Very low88 Ų88113.7 Ų113.773%0.72765%0.647SS**SBendtrans-80.65.9-173.500000115.3
167V36Very low43.8Very low108 Ų108115.3 Ų115.366%0.65566%0.662SS**SBendtrans-129.9125.6-171.3-174.70000112.5Q165Q165-V167 VanDerWaalsContact C-N 3.28Å; Q165-V167 PolarHBondContact O-N 3.41Å
168T32.9Very low41.7Very low115 Ų115118 Ų11871%0.70667%0.67SS**  trans62.7114.4170.645.50000117
169K35.6Very low40Very low197 Ų197119.7 Ų119.786%0.85769%0.688SS**  cis-171.2163.840.2-101.4152-174.8-177.90111.6
170R29.4Very low38.7Very low236 Ų236123.8 Ų123.889%0.89171%0.707SS**  trans-78.1155.3-176.9-61.8173.3178.2-176.1-2.9113.2
171P34.1Very low37.3Very low124 Ų124128.2 Ų128.281%0.80573%0.728SS**  trans-77.6144.8174.733-34.7000112.1
172V31.6Very low35.9Very low134 Ų134135.4 Ų135.481%0.81274%0.744SS**  trans-136.4132.1170177.40000108.1
173V35.8Very low34.6Very low133 Ų133138 Ų13881%0.80675%0.753SS**  trans-119.3128.4-178.2175.90000109
174P29Very low33.4Very low77 Ų77139.8 Ų139.850%0.576%0.757SS.*  trans-118.7171164.117.73.9000113.3Q197P174-Q197 VanDerWaalsContact CG-OE1 3.27Å
175L23.9Very low32.5Very low147 Ų147140.1 Ų140.177%0.7776%0.759SS**  trans-142.9133.7-154-170.678.1000113.2
176A30Very low31.7Very low53 Ų53143.3 Ų143.344%0.43876%0.764SS.*  trans57.9142.4149.500000124.2
177T31.5Very low31Very low149 Ų149147.9 Ų147.991%0.91477%0.77SS**  177.7162.8120.226.10000114.8
178K33.4Very low30.7Very low152 Ų152147 Ų14766%0.66178%0.775SS**  trans-127162.3-166.9-56.3-175.8174.1-160.10114.5D191K178-D191 PolarHBondContact NZ-O 3.4Å
179P34.2Very low30.5Very low123 Ų123148.1 Ų148.180%0.79978%0.782SS**  -156.7137.6122.237-17.2000120.7
180V36.1Very low30.6Very low139 Ų139143.5 Ų143.584%0.84277%0.772SS**  42.6115124.7-169.70000125.4
181V35.3Very low30.9Very low151 Ų151138.4 Ų138.492%0.91576%0.762SS**  trans-141.9176.1147.4175.40000109.7
182R31.4Very low30.6Very low225 Ų225140.3 Ų140.385%0.84976%0.76SS**  trans-109.7152.4-148.7-173178.5178.8163.3-2.7115.8
183Q27.9Very low30.6Very low153 Ų153140.3 Ų140.372%0.71576%0.755SS**  trans11195.2147.3-148.1160.64.900120.6
184Q26.1Very low30.3Very low170 Ų170140 Ų14079%0.79475%0.749SS**  trans51.2132.7131.9-64.2165.5-25.500120.3
185S27.1Very low30.7Very low102 Ų102144.5 Ų144.571%0.71376%0.763SS**  cis-161.714811.958.20000113.9
186R25.5Very low31Very low234 Ų234146.8 Ų146.888%0.88377%0.77SS**SBendtrans62.6113.3170-54.7-176.9-176.1-145.10.8115.7
187Q24.3Very low31.2Very low183 Ų183150.9 Ų150.986%0.85578%0.78SS**SBendcis-159.5137.9-1.7-160.9162.2-14.600108.5
188A29.5Very low31.5Very low90 Ų90152 Ų15274%0.74478%0.775SS**SBendtrans72.677.2173.200000120.6
189T28.3Very low31.7Very low139 Ų139152.1 Ų152.185%0.85378%0.778SS**  trans73.3109.1132.3-250000121.7
190P37.3Very low31.8Very low99 Ų99155.5 Ų155.564%0.64378%0.782SS**  trans-113.6-176.4-179.341.4-34.3000118.1
191D35.7Very low31.6Very low129 Ų129152.7 Ų152.769%0.6977%0.774SS**  trans96.9145.4152.4-80.3-45.3000125.2K178K178-D191 PolarHBondContact NZ-O 3.4Å
192Q29.4Very low31.6Very low164 Ų164152 Ų15277%0.76677%0.769SS**  trans-96.5174-151.5-56.9177.6-9.600117.2
193L31.2Very low31.8Very low135 Ų135150.8 Ų150.871%0.70777%0.77SS**  trans90.485.7143.1-129.1165000120.6Q195L193-Q195 HydrophobicContact CD2-CB 3.75Å
194D30.2Very low32.4Very low125 Ų125149.6 Ų149.667%0.66877%0.773SS**  trans-81.7106154.2-99.1-60.6000110.4
195Q36Very low32.5Very low172 Ų172150.4 Ų150.480%0.80477%0.769SS**  trans-158.544.3160.3-144.5-176.1116.700116.8L193L193-Q195 HydrophobicContact CD2-CB 3.75Å
196Q31.3Very low32.6Very low195 Ų195151.5 Ų151.591%0.91176%0.763SS**  trans-153.887.7156.5-138.5177.95.100114.7
197Q33.2Very low32.8Very low139 Ų139147.2 Ų147.265%0.6575%0.753SS**  trans-137.793.4154.8-154.7-174.5105.200110.6P174P174-Q197 VanDerWaalsContact CG-OE1 3.27Å
198Q37.4Very low33.4Very low173 Ų173145.8 Ų145.881%0.80875%0.75SS**  trans-159.2141.1165.3-128.5174.981.400111.6
199Q38.4Very low33.7Very low155 Ų155146.8 Ų146.872%0.72475%0.747SS**  trans83.579.1165.6-51.6177.934.500119
200H35.2Very low33.8Very low193 Ų193145.8 Ų145.889%0.89474%0.741SS**  -153.1112.1115.7-76.2-67.1000105.9
201A32.4Very low33.7Very low81 Ų81145 Ų14567%0.66975%0.751SS**  cis73.1137.53100000115.3
202V36.7Very low33.8Very low135 Ų135143.7 Ų143.782%0.81875%0.752SS**  trans86.185.2161.9-161.60000119.2
203K34.7Very low34.3Very low200 Ų200145.7 Ų145.787%0.8776%0.758SS**  trans-166.9127.1138.9-103.2166.8-177.11760104
204V39.7Very low34.9Very low128 Ų128145.4 Ų145.478%0.77676%0.764SS**  cis-145.1126.318.9169.10000105.3
205R28.2Very low35.4Very low188 Ų188143.8 Ų143.871%0.70977%0.769SS**  cis74.7110.449-174.1177.5169166.71.3113.5
206Q30.7Very low36.1Very low124 Ų124141.8 Ų141.858%0.57977%0.77SS**  trans68162.5158.8-68.2174.8-41.800116.6
207Q28.6Very low36.7Very low145 Ų145138.5 Ų138.568%0.67876%0.759SS**  cis-158.3171.9-17.6-109.5156.7-20.400106.4
208L37.6Very low38.2Very low152 Ų152137.2 Ų137.280%0.79676%0.763SS**  141.2147.593.9-153.772.2000106.1
209T35Very low38.6Very low111 Ų111135.6 Ų135.668%0.68176%0.76SS**  cis-151.4139.2-32.9-91.60000109.9
210V31.3Very low38.7Very low118 Ų118137 Ų13772%0.71576%0.763SS**  trans17.7132.4147.1-169.90000120.9S212V210-S212 WeakPolarHBondContact CG1-OG 3.43Å
211G34.8Very low39.1Very low84 Ų84132.8 Ų132.887%0.86675%0.753SS**  trans-134.1115.7147.600000110.4
212S38.2Very low40.1Very low101 Ų101137 Ų13771%0.70676%0.764SS**  trans-139.2128.7-173.150.50000112.8V210V210-S212 WeakPolarHBondContact CG1-OG 3.43Å
213K39.5Very low40.3Very low206 Ų206139.3 Ų139.390%0.89676%0.764SS**  trans-114.3154.8164-83.4-172.6174.2-1770109.9
214P43.1Very low40.2Very low128 Ų128140.7 Ų140.783%0.83176%0.764SS**PPolyproline II helixtrans-80.1158.5-153.3-16.332.8000115.6
215A42.5Very low40.3Very low92 Ų92141 Ų14176%0.7677%0.766SS**PPolyproline II helixtrans-84.4145.4179.700000112.8
216P49.1Very low40.6Very low129 Ų129136.1 Ų136.184%0.83876%0.76SS**PPolyproline II helixtrans-65.7133.3171.7-19.432.5000112.3
217N45.1Very low40.6Very low127 Ų127138 Ų13868%0.67977%0.772SS**PPolyproline II helixtrans-81.6125.1178.2-177.5-17.5000110.9N219N217-N219 PolarHBondContact O-N 3.34Å; N217-N219 PolarHBondContact OD1-N 3Å
218P65Low40.7Very low112 Ų112137.9 Ų137.973%0.72778%0.776SS**  trans-77.8-8.3-176.531.3-36.3000115.5K220P218-K220 VanDerWaalsContact C-N 3.27Å; P218-K220 PolarHBondContact O-N 3.28Å; P218-K220 VanDerWaalsContact O-N 3.1Å
219N44Very low40.5Very low139 Ų139136.6 Ų136.674%0.74378%0.78SS**  trans-86.134.2-170.2-71-19.1000115.4N217N217-N219 PolarHBondContact O-N 3.34Å; N217-N219 PolarHBondContact OD1-N 3Å
220K41Very low40.3Very low184 Ų184138 Ų13880%0.879%0.788SS**  trans-134.3110163.2-74.5-168.3177.9-173.50110.2P218 N222P218-K220 VanDerWaalsContact C-N 3.27Å; P218-K220 PolarHBondContact O-N 3.28Å; P218-K220 VanDerWaalsContact O-N 3.1Å; K220-N222 PolarHBondContact O-N 2.95Å
221P43.2Very low40.9Very low105 Ų105137.9 Ų137.968%0.68279%0.79SS**  trans-70.7114.3165.329.5-30.5000108.1F223P221-F223 WeakPolarHBondContact O-CD2 3.41Å; P221-F223 PolarHBondContact O-N 3.42Å
222N53.5Low40.7Very low168 Ų168143.1 Ų143.190%0.89879%0.792SS**  trans-72.1120.3171.4-118.1-17.9000108.3K220K220-N222 PolarHBondContact O-N 2.95Å
223F41.9Very low40Very low185 Ų185146.5 Ų146.581%0.81180%0.797SS**  trans-67.1138.9-169.2-85.2-99.9000112.3P221 V225P221-F223 WeakPolarHBondContact O-CD2 3.41Å; P221-F223 PolarHBondContact O-N 3.42Å; F223-V225 PolarHBondContact O-N 3.33Å
224R32.5Very low39.3Very low229 Ų229142.9 Ų142.986%0.86479%0.787SS**  trans-67.7106.3170.9-177.4-170.2-165.8-170.23.1108.7S226R224-S226 PolarHBondContact O-N 2.84Å
225V41.9Very low38.8Very low135 Ų135141.1 Ų141.182%0.81878%0.778SS**  trans-79.7116.3163.4-1730000107.1F223F223-V225 PolarHBondContact O-N 3.33Å
226S34.9Very low38.3Very low85 Ų85143.2 Ų143.259%0.59478%0.781SS**  trans-69.2144.4175-67.80000110.8R224R224-S226 PolarHBondContact O-N 2.84Å
227I29.8Very low37.5Very low163 Ų163147 Ų14784%0.83679%0.785SS**  trans-89.4101.8172.7-58.7157.6000106.6
228D31.4Very low37.1Very low142 Ų142147 Ų14776%0.75979%0.791SS**  trans-153.787.5168.6-88.5-48.3000110.9
229S33.3Very low35.7Very low125 Ų125144.6 Ų144.687%0.87479%0.787SS**  trans-162.3136146.6-81.70000109.3
230V29.8Very low35.6Very low140 Ų140144.1 Ų144.185%0.84879%0.792SS**PPolyproline II helixtrans-101.6156.4-160.4164.20000109.6
231P43.8Very low35.9Very low117 Ų117142.2 Ų142.276%0.7680%0.795SS**PPolyproline II helixtrans-95.9163.5-138.537.1-37.8000115.5
232Q30.9Very low35.8Very low193 Ų193142.1 Ų142.190%0.90280%0.797SS**PPolyproline II helixtrans-93.5154.7156.2-83.1-172.5-49.700112
233Q24Very low35.5Very low173 Ų173137.5 Ų137.581%0.80879%0.789SS**  trans-43.5157.2161.8-73.4167-107.400113
234D25.6Very low35.8Very low129 Ų129132.7 Ų132.769%0.6978%0.775SS**  cis-155.2177.122.5-136.8-50.3000112.7
235S31.2Very low37Very low92 Ų92125 Ų12564%0.64376%0.756SS**  trans75.6133.2161.876.90000121.3
236T31.8Very low38.3Very low135 Ų135124.7 Ų124.783%0.82875%0.754SS**  trans6383.5163.2630000119.5
237K32.5Very low40.2Very low210 Ų210129.3 Ų129.391%0.91376%0.763SS**PPolyproline II helixtrans-100.1121.8151.5-87.3179.9178.3170.30110.7
238P36.5Very low42Very low125 Ų125123.5 Ų123.581%0.81274%0.739SS**PPolyproline II helixtrans-71.3154.8177.529.2-34.4000112.1
239G36.6Very low43.8Very low62 Ų62121.1 Ų121.164%0.63973%0.726SS**PPolyproline II helixtrans-64.2168.5-176.400000115.3V241G239-V241 PolarHBondContact O-N 3.38Å; G239-V241 VanDerWaalsContact O-N 3.1Å
240P41.9Very low46Very low130 Ų130123.8 Ų123.884%0.84472%0.717SS**  trans-70.5108.9-167.727.9-35.1000112.5S242P240-S242 PolarHBondContact O-N 2.82Å
241V46.6Very low47.8Very low144 Ų144119.9 Ų119.987%0.87370%0.7SS**  trans-65.787.5157.6-77.30000108.8G239 G243G239-V241 PolarHBondContact O-N 3.38Å; G239-V241 VanDerWaalsContact O-N 3.1Å; V241-G243 VanDerWaalsContact C-N 3.25Å; V241-G243 PolarHBondContact O-N 2.97Å
242S41.1Very low49.3Very low103 Ų103121.8 Ų121.872%0.7270%0.696SS**  trans-63.685.2177.2173.10000110.3P240 V244P240-S242 PolarHBondContact O-N 2.82Å; S242-V244 PolarHBondContact O-N 3.49Å
243G46.8Very low51.2Low71 Ų71119.2 Ų119.273%0.73269%0.687SS**  trans-61.498.7174.300000110V241 S245V241-G243 VanDerWaalsContact C-N 3.25Å; V241-G243 PolarHBondContact O-N 2.97Å; G243-S245 VanDerWaalsContact C-N 3.35Å; G243-S245 PolarHBondContact O-N 3.44Å
244V48.3Very low53.7Low84 Ų84117.8 Ų117.851%0.50968%0.681SS.*  trans-63.997.4177.6-174.70000108.2S242 A248 L249S242-V244 PolarHBondContact O-N 3.49Å; V244-A248 HydrophobicContact CG1-CB 4.13Å; V244-L249 HydrophobicContact CG1-CB 4.19Å; V244-L249 HydrophobicContact CG1-CD1 4.27Å
245S58.7Low55.2Low66 Ų66117.9 Ų117.946%0.46268%0.681SS.*  trans-58.114817972.70000110.2G243 K247 A248 L249G243-S245 VanDerWaalsContact C-N 3.35Å; G243-S245 PolarHBondContact O-N 3.44Å; S245-K247 PolarHBondContact O-N 3.42Å; S245-A248 WeakPolarHBondContact O-CB 3.35Å; S245-A248 PolarHBondContact O-N 3.07Å; S245-A248 PolarHBondContact OG-N 3.01Å; S245-L249 PolarHBondContact O-N 3.3Å; S245-L249 VanDerWaalsContact O-N 3.09Å
246V69.8Low56.3Low129 Ų129118.3 Ų118.378%0.78268%0.682SS**Hα-helixtrans-55-27.6178.5-178.80000111.6R250V246-R250 WeakPolarHBondContact O-CB 3.3Å; V246-R250 PolarHBondContact O-N 3.09Å
247K75Confident57.6Low183 Ų183117.4 Ų117.480%0.79668%0.678SS**Hα-helixtrans-67.2-43.8174.3-163.8177.8-178.3-175.20112.4S245 R250 A251S245-K247 PolarHBondContact O-N 3.42Å; K247-R250 PolarHBondContact O-N 2.97Å; K247-A251 PolarHBondContact O-N 3.46Å
248A67.3Low58.5Low40 Ų40116.5 Ų116.533%0.33168%0.678SS.*Hα-helixtrans-67.6-38.2176.300000112.2V244 S245 A251 K252V244-A248 HydrophobicContact CG1-CB 4.13Å; S245-A248 WeakPolarHBondContact O-CB 3.35Å; S245-A248 PolarHBondContact O-N 3.07Å; S245-A248 PolarHBondContact OG-N 3.01Å; A248-A251 PolarHBondContact O-N 2.64Å; A248-K252 PolarHBondContact O-N 3.43Å
249L69.4Low59Low92 Ų92118.8 Ų118.848%0.48268%0.682SS.*Hα-helixtrans-68.7-37177.4-148.1149.4000111.4V244 S245 K252 L253V244-L249 HydrophobicContact CG1-CB 4.19Å; V244-L249 HydrophobicContact CG1-CD1 4.27Å; S245-L249 PolarHBondContact O-N 3.3Å; S245-L249 VanDerWaalsContact O-N 3.09Å; L249-K252 PolarHBondContact O-N 3.08Å; L249-L253 HydrophobicContact CD2-CD1 3.92Å; L249-L253 HydrophobicContact CD2-CG 4.43Å; L249-L253 WeakPolarHBondContact O-CG 3.37Å; L249-L253 PolarHBondContact O-N 3.47Å; L249-L253 VanDerWaalsContact O-N 3.11Å
250R77.9Confident59.3Low182 Ų182125.4 Ų125.469%0.68769%0.693SS**Hα-helixtrans-64.8-41.7171.4-167.2176.5-166.5167.75.1112.5V246 K247 L253 Q254V246-R250 WeakPolarHBondContact O-CB 3.3Å; V246-R250 PolarHBondContact O-N 3.09Å; K247-R250 PolarHBondContact O-N 2.97Å; R250-L253 PolarHBondContact O-N 3Å; R250-Q254 WeakPolarHBondContact O-CB 3.29Å; R250-Q254 PolarHBondContact O-N 3.35Å
251A69Low59.2Low58 Ų58124.5 Ų124.548%0.47969%0.687SS.*Hα-helixtrans-62.3-44.9175.200000112.2K247 A248 L253 Q254 N255K247-A251 PolarHBondContact O-N 3.46Å; A248-A251 PolarHBondContact O-N 2.64Å; A251-L253 VanDerWaalsContact C-N 3.29Å; A251-L253 PolarHBondContact O-N 3.09Å; A251-Q254 PolarHBondContact O-N 3.49Å; A251-Q254 VanDerWaalsContact O-N 3.12Å; A251-N255 PolarHBondContact O-N 2.88Å
252K75.1Confident59.2Low156 Ų156123.7 Ų123.768%0.67869%0.685SS**Hα-helixtrans-63.2-29.7175.8-75.9-171.6173.1-170.80114A248 L249A248-K252 PolarHBondContact O-N 3.43Å; L249-K252 PolarHBondContact O-N 3.08Å
253L70.1Confident59.1Low139 Ų139123.8 Ų123.873%0.72869%0.685SS**Hα-helixtrans-79-25.6173.7-74.5171.1000113.2L249 R250 A251L249-L253 HydrophobicContact CD2-CD1 3.92Å; L249-L253 HydrophobicContact CD2-CG 4.43Å; L249-L253 WeakPolarHBondContact O-CG 3.37Å; L249-L253 PolarHBondContact O-N 3.47Å; L249-L253 VanDerWaalsContact O-N 3.11Å; R250-L253 PolarHBondContact O-N 3Å; A251-L253 VanDerWaalsContact C-N 3.29Å; A251-L253 PolarHBondContact O-N 3.09Å
254Q76.1Confident58.5Low144 Ų144125 Ų12567%0.67368%0.683SS**Hα-helixtrans-92-19.6-177.7-164.3158.9-2.400113R250 A251R250-Q254 WeakPolarHBondContact O-CB 3.29Å; R250-Q254 PolarHBondContact O-N 3.35Å; A251-Q254 PolarHBondContact O-N 3.49Å; A251-Q254 VanDerWaalsContact O-N 3.12Å
255N58.3Low58Low131 Ų131128.7 Ų128.770%0.70169%0.694SS**SBendtrans-134.598.1168.2-81.9-52.3000109.9A251A251-N255 PolarHBondContact O-N 2.88Å
256P53.4Low56.8Low100 Ų100132.3 Ų132.365%0.64971%0.707SS**PPolyproline II helixtrans-70.1132.9171.329.2-32.7000109.8Q258P256-Q258 PolarHBondContact O-N 3.31Å
257P58.7Low54.9Low117 Ų117130.7 Ų130.776%0.7670%0.702SS**PPolyproline II helixtrans-66.2122.1175.326.9-32.7000109.8L259P257-L259 PolarHBondContact O-N 3.09Å
258Q51.6Low53.2Low191 Ų191130.5 Ų130.589%0.89370%0.704SS**PPolyproline II helixtrans-69.4129175.2-69.3-170.8-600110.1P256 K260P256-Q258 PolarHBondContact O-N 3.31Å; Q258-K260 PolarHBondContact O-N 3.22Å
259L46.8Very low51.4Low172 Ų172136.3 Ų136.390%0.90172%0.724SS**PPolyproline II helixtrans-70.6122.7179.7-65.1165.4000109.8P257P257-L259 PolarHBondContact O-N 3.09Å
260K43.4Very low49.6Very low202 Ų202142.1 Ų142.188%0.87874%0.739SS**PPolyproline II helixtrans-96.4125.7165.3-152.1172.1-173.6-179.60107.7Q258Q258-K260 PolarHBondContact O-N 3.22Å
261P40.9Very low48.2Very low110 Ų110137.9 Ų137.971%0.71474%0.736SS**PPolyproline II helixtrans-70.4150.9-169.126.9-34.7000112.6S263P261-S263 PolarHBondContact O-N 3.36Å
262P44.8Very low46.6Very low127 Ų127143.2 Ų143.283%0.82576%0.756SS**PPolyproline II helixtrans-73.3124.6178.630-33.4000110.8
263S38.9Very low44.5Very low105 Ų105139.4 Ų139.473%0.73476%0.761SS**PPolyproline II helixtrans-82.6126172.8-159.60000110.1P261P261-S263 PolarHBondContact O-N 3.36Å
264S35.7Very low42.9Very low97 Ų97137.7 Ų137.768%0.67877%0.767SS**PPolyproline II helixtrans-91.2125.4-179.5530000112.3
265H37Very low40.6Very low161 Ų161135.5 Ų135.575%0.74577%0.767SS**  trans-123.4112.4154.7-65.8-76.3000106
266L33.3Very low39.4Very low142 Ų142136.4 Ų136.474%0.74377%0.767SS**  60.3134.287.8-84.385.6000112
267S31.1Very low38.1Very low95 Ų95138.9 Ų138.966%0.66477%0.77SS**  cis-173-172.7-4.2-111.40000108.7
268Q38.8Very low36.9Very low180 Ų180141.4 Ų141.484%0.84178%0.775SS**  trans81.8138.7165.4-48.3-177.617.900116.2
269H30.2Very low35.9Very low162 Ų162136.9 Ų136.975%0.7577%0.765SS**  cis-158.9122.3-17.6-141.1-124000110.5
270R30Very low35.1Very low213 Ų213135 Ų13580%0.80476%0.76SS**  59.7171.3128.4-124-160.9164.4133-1.8120.7
271P49.7Very low34.7Very low94 Ų94136.7 Ų136.761%0.6176%0.761SS**  -126.3168.3-8539-24.8000116.7
272N35.4Very low34.2Very low170 Ų170140.1 Ų140.191%0.90977%0.767SS**  trans-168.2143.3133.3-92.1-22.4000106.2
273G29.2Very low33.9Very low76 Ų76142.4 Ų142.478%0.78477%0.767SS**  cis147.246.77.900000111.9
274A37.2Very low33.6Very low102 Ų102143.7 Ų143.784%0.84378%0.775SS**  trans-163.3106.9171.500000112.5
275S28.8Very low33.8Very low98 Ų98144 Ų14469%0.68578%0.778SS**  trans-76.2170.2157.7-101.60000110.3
276H33.2Very low33.7Very low150 Ų150142 Ų14269%0.69478%0.782SS**  cis-145.9154.94.2-116.2-69.4000109.9
277E25.1Very low33.9Very low153 Ų153143.5 Ų143.572%0.71579%0.79SS**  trans8.9141.5152.4-66.6168.2102.800122.3
278I34.4Very low34.1Very low170 Ų170143.7 Ų143.787%0.87279%0.791SS**  -149.2126.4110.9-96147.3000111.4
279S29.5Very low33.9Very low96 Ų96143.3 Ų143.367%0.67179%0.794SS**  trans46.497.8154.2-150.60000122.1R281S279-R281 PolarHBondContact O-N 2.99Å
280V30.5Very low34.3Very low132 Ų132141.8 Ų141.880%0.880%0.796SS**  14.4104.8122.9-168.80000117.1
281R35Very low34.5Very low238 Ų238134.9 Ų134.990%0.89878%0.784SS**  trans-146.8132148-139.6175.1-173.2-175.62.4111.9S279 Q283S279-R281 PolarHBondContact O-N 2.99Å; R281-Q283 PolarHBondContact O-N 3.46Å
282H31.3Very low34Very low182 Ų182140.3 Ų140.384%0.84380%0.798SS**  trans-51.4120.7-174.7-61.1-93.8000113.3
283Q36.6Very low33.9Very low175 Ų175135.7 Ų135.782%0.81879%0.791SS**  trans-129.5111.3152.4-69.7-162.211.500110R281 S285R281-Q283 PolarHBondContact O-N 3.46Å; Q283-S285 PolarHBondContact O-N 3.06Å; Q283-S285 VanDerWaalsContact O-N 3.13Å
284S33.7Very low34Very low131 Ų131144 Ų14492%0.91680%0.799SS**  trans-59.9105162.347.80000109.6
285S40.1Very low34.1Very low104 Ų104145 Ų14573%0.72780%0.797SS**  trans-123.7140.8172.749.30000110.5Q283Q283-S285 PolarHBondContact O-N 3.06Å; Q283-S285 VanDerWaalsContact O-N 3.13Å
286S33.6Very low34.3Very low119 Ų119145.5 Ų145.583%0.83280%0.8SS**PPolyproline II helixtrans-69.7125-170.849.20000112.7
287L37.4Very low34.7Very low174 Ų174145 Ų14591%0.91181%0.808SS**PPolyproline II helixtrans-87.5125.3161.2-80171.2000110.8
288S36.8Very low35.1Very low98 Ų98145.4 Ų145.469%0.68581%0.81SS**PPolyproline II helixtrans-72.7128-179.836.90000111.7V290S288-V290 PolarHBondContact O-N 3.04Å
289L34.1Very low34.9Very low173 Ų173146 Ų14691%0.90681%0.809SS**  trans-83.292.5162.8-98.5161.4000109.1A291L289-A291 VanDerWaalsContact C-N 3.28Å; L289-A291 PolarHBondContact O-N 3.41Å
290V38.3Very low35.1Very low130 Ų130151 Ų15179%0.78882%0.821SS**  trans-69.887168.7-176.90000108.5S288S288-V290 PolarHBondContact O-N 3.04Å
291A34.3Very low35.2Very low68 Ų68150.5 Ų150.556%0.56282%0.819SS**  trans-89.4150.2161.800000109.3L289L289-A291 VanDerWaalsContact C-N 3.28Å; L289-A291 PolarHBondContact O-N 3.41Å
292F39Very low35Very low207 Ų207147.7 Ų147.791%0.90882%0.816SS**SBendtrans80.179.9-177.3-50.8-72.6000116.5
293G34.5Very low35.3Very low73 Ų73148.8 Ų148.875%0.75382%0.821SS**  81.388.8117.600000118.4P295G293-P295 WeakPolarHBondContact O-CD 3.44Å
294R30.6Very low35.1Very low250 Ų250148.3 Ų148.394%0.94382%0.824SS**  trans-80.2117.1142.6-81.2-174.6169.2-155.9-2.3108.8
295P39.8Very low35.2Very low124 Ų124152.8 Ų152.881%0.80582%0.821SS**  trans-72.8131.9147.931.4-29.1000107.9G293G293-P295 WeakPolarHBondContact O-CD 3.44Å
296S31.8Very low35Very low109 Ų109154.1 Ų154.176%0.76283%0.825SS**  trans-100.4102.4173.6-167.60000108.6
297V41.6Very low35.4Very low140 Ų140153.8 Ų153.885%0.84883%0.829SS**  trans-139.8121.4158.6-176.20000106.5
298E35Very low35.3Very low161 Ų161148.9 Ų148.975%0.75282%0.821SS**  trans-79.9164.2176.5-72.2150113.900111.2
299Q29.6Very low35.2Very low183 Ų183155.1 Ų155.186%0.85584%0.836SS**  trans61.291.4164.7-65.4177.4-17.100117.7
300Q33.3Very low35.5Very low200 Ų200152 Ų15294%0.93583%0.828SS**  -144.8107.5116.8-140.8168.4-8.700110.4
301T32.5Very low35.4Very low121 Ų121151.4 Ų151.474%0.74283%0.83SS**  trans-78.2161.3173-40.10000109.4
302E31.8Very low36Very low180 Ų180154.2 Ų154.284%0.84184%0.84SS**  trans70.382.7170.6-53.5-165.5122.400117.5
303Q36.3Very low36Very low204 Ų204149 Ų14995%0.95383%0.827SS**  trans-147.553.3131.7-130.117522.200113.4R305Q303-R305 PolarHBondContact O-N 3.28Å
304D32.5Very low36.2Very low165 Ų165155.2 Ų155.288%0.88283%0.834SS**  trans-74.599.7159.7-124.9-35.8000108.5
305R37.5Very low37.1Very low225 Ų225148 Ų14885%0.84983%0.827SS**  trans-178.7136.5143-103.8168.4-178.2171.32.2116.1Q303Q303-R305 PolarHBondContact O-N 3.28Å
306T35.3Very low37.7Very low132 Ų132152.1 Ų152.181%0.8183%0.833SS**  trans59.889.7146.752.70000120.4
307A42.4Very low39.4Very low112 Ų112150.9 Ų150.993%0.92683%0.829SS**  -179.4142.2116.200000107.8
308G35.1Very low40.6Very low71 Ų71149.8 Ų149.873%0.73283%0.825SS**  cis164.91345.600000106S310G308-S310 PolarHBondContact O-N 3.46Å
309F33.3Very low42.4Very low230 Ų230147.6 Ų147.6100%1.00983%0.825SS**  trans-62.8134.5-172.8-73.1-102.9000112
310S40.5Very low44.8Very low106 Ų106144.2 Ų144.274%0.74182%0.819SS**  trans-142.3102.9159.1-167.60000110.7G308G308-S310 PolarHBondContact O-N 3.46Å
311S36Very low47Very low118 Ų118140.7 Ų140.783%0.82581%0.813SS**  trans-83.3113171.252.10000109.9
312V47.3Very low49.2Very low128 Ų128142.6 Ų142.678%0.77682%0.818SS**  trans-122.1114.6168.1-144.70000109
313P39.2Very low51.4Low98 Ų98139.9 Ų139.964%0.63682%0.816SS**  trans-89.6160.2-179.837.7-35.8000111.5
314F39.3Very low53.4Low202 Ų202134.8 Ų134.889%0.88681%0.808SS**  trans60.186.7168.8-62.2-78.5000118.6
315A50Low55.4Low98 Ų98136.3 Ų136.381%0.8181%0.807SS**  -134.4112.2127.200000108.6A317A315-A317 VanDerWaalsContact C-N 3.34Å; A315-A317 PolarHBondContact O-N 2.82Å
316K50.7Low57.2Low212 Ų212131.1 Ų131.192%0.92280%0.803SS**  trans-7490.5-179.1-164.3167.1-172.9169.80108.2
317A68.3Low59Low83 Ų83130.5 Ų130.569%0.68680%0.801SS**PPolyproline II helixtrans-49.9135.9-175.700000110.8A315A315-A317 VanDerWaalsContact C-N 3.34Å; A315-A317 PolarHBondContact O-N 2.82Å
318P66Low60.4Low117 Ų117129.6 Ų129.676%0.7679%0.788SS**PPolyproline II helixtrans-58.9140.8-179.724.6-33.4000109.7
319P74Confident62.1Low115 Ų115138 Ų13875%0.74780%0.797SS**PPolyproline II helixtrans-59.1143.2-178.224.7-33.8000110.5
320P79.4Confident63.9Low112 Ų112134.8 Ų134.873%0.72778%0.783SS**PPolyproline II helixtrans-59.9146.7-175.824.6-34.4000111.3L322P320-L322 PolarHBondContact O-N 3.46Å
321P79.2Confident65.3Low125 Ų125133.3 Ų133.381%0.81277%0.771SS**PPolyproline II helixtrans-59.8134.8-179.124.9-33.9000110.7
322L79.5Confident67.1Low161 Ų161130 Ų13084%0.84375%0.748SS**PPolyproline II helixtrans-60141.2177.8-67.4174.9000110.6P320 A324P320-L322 PolarHBondContact O-N 3.46Å; L322-A324 PolarHBondContact O-N 3.45Å
323P78.5Confident68.3Low123 Ų123129.7 Ų129.780%0.79974%0.74SS**PPolyproline II helixtrans-53131.7178.9-27.534.6000112.2K325P323-K325 PolarHBondContact O-N 3.44Å
324A77.9Confident70Confident97 Ų97131 Ų13180%0.80274%0.738SS**PPolyproline II helixtrans-56.6128.9177.400000110.3L322L322-A324 PolarHBondContact O-N 3.45Å
325K73.8Confident71.5Confident198 Ų198127.3 Ų127.386%0.86172%0.723SS**PPolyproline II helixtrans-54.6126.4178.2-71.5175.9179.9172.10108.9P323P323-K325 PolarHBondContact O-N 3.44Å
326P75Confident72.7Confident115 Ų115130.3 Ų130.375%0.74771%0.714SS**PPolyproline II helixtrans-61.3142.3-176.924.3-33.8000110.4S328P326-S328 PolarHBondContact O-N 2.97Å
327P73.9Confident73.8Confident120 Ų120126.9 Ų126.978%0.77970%0.699SS**PPolyproline II helixtrans-58.4130.7-178.122.6-32.9000110.5R329P327-R329 PolarHBondContact O-N 3.23Å; P327-R329 VanDerWaalsContact O-N 3.1Å
328S72.6Confident73.7Confident92 Ų92127.1 Ų127.164%0.64369%0.688SS**  trans-61.1116-174.5-166.40000110.6P326 K330P326-S328 PolarHBondContact O-N 2.97Å; S328-K330 PolarHBondContact O-N 3.46Å
329R69.1Low73.7Confident248 Ų248125.2 Ų125.294%0.93668%0.675SS**  trans-69.834177.9-68.2-172.3174.4-163.90.6114P327 P331P327-R329 PolarHBondContact O-N 3.23Å; P327-R329 VanDerWaalsContact O-N 3.1Å; R329-P331 WeakPolarHBondContact O-CD 3.39Å
330K71Confident73.2Confident163 Ų163123.4 Ų123.471%0.70967%0.665SS**  trans-78.1115.4168.7-71.3-179.6-178.8177.20107.5S328 S332S328-K330 PolarHBondContact O-N 3.46Å; K330-S332 PolarHBondContact O-N 2.9Å
331P70.7Confident72.5Confident75 Ų75123.8 Ų123.849%0.48766%0.657SS.*  trans-61.5133.2178.824.3-33.3000109.8R329 H335 R336R329-P331 WeakPolarHBondContact O-CD 3.39Å; P331-H335 HydrophobicContact CB-CB 4.28Å; P331-R336 PolarHBondContact O-NE 3.33Å
332S74.7Confident71.6Confident49 Ų49125.3 Ų125.334%0.34365%0.651SS.*  trans-59162-17682.10000112.1K330 E334 H335 R336K330-S332 PolarHBondContact O-N 2.9Å; S332-E334 VanDerWaalsContact C-N 3.25Å; S332-E334 WeakPolarHBondContact CB-OE2 3.4Å; S332-E334 PolarHBondContact O-N 2.87Å; S332-E334 PolarHBondContact OG-N 3.43Å; S332-E334 PolarHBondContact OG-OE2 2.76Å; S332-H335 WeakPolarHBondContact O-CB 3.09Å; S332-H335 PolarHBondContact O-N 2.87Å; S332-H335 VanDerWaalsContact O-N 3.14Å; S332-H335 PolarHBondContact OG-N 3.29Å; S332-R336 WeakPolarHBondContact O-CG 3.47Å; S332-R336 PolarHBondContact O-N 3.29Å
333I72.7Confident70.5Confident120 Ų120125.2 Ų125.262%0.61564%0.644SS**Hα-helixtrans-63.5-33.5-180-65.5171.9000110.7R336 K337I333-R336 PolarHBondContact O-N 3.19Å; I333-K337 HydrophobicContact CG2-CD 4.43Å; I333-K337 WeakPolarHBondContact O-CG 3.48Å; I333-K337 PolarHBondContact O-N 3.48Å; I333-K337 VanDerWaalsContact O-N 3.16Å
334E73Confident69.6Low125 Ų125129 Ų12958%0.58464%0.642SS**Hα-helixtrans-65.3-43.5172.9-50.489.7174.900111.7S332 R336 K337 N338S332-E334 VanDerWaalsContact C-N 3.25Å; S332-E334 WeakPolarHBondContact CB-OE2 3.4Å; S332-E334 PolarHBondContact O-N 2.87Å; S332-E334 PolarHBondContact OG-N 3.43Å; S332-E334 PolarHBondContact OG-OE2 2.76Å; E334-R336 VanDerWaalsContact C-N 3.28Å; E334-R336 PolarHBondContact O-N 2.84Å; E334-K337 PolarHBondContact O-N 3.05Å; E334-K337 VanDerWaalsContact O-N 3.14Å; E334-N338 PolarHBondContact O-N 3.08Å
335H72.3Confident68.3Low125 Ų125129.7 Ų129.758%0.57964%0.637SS**Hα-helixtrans-58.2-41.6176.8-113.689.2000111.6P331 S332 K337 V339P331-H335 HydrophobicContact CB-CB 4.28Å; S332-H335 WeakPolarHBondContact O-CB 3.09Å; S332-H335 PolarHBondContact O-N 2.87Å; S332-H335 VanDerWaalsContact O-N 3.14Å; S332-H335 PolarHBondContact OG-N 3.29Å; H335-K337 PolarHBondContact O-N 2.78Å; H335-V339 VanDerWaalsContact O-CG2 3.27Å; H335-V339 WeakPolarHBondContact O-CG2 3.38Å; H335-V339 PolarHBondContact O-N 3.11Å
336R73.8Confident66.9Low161 Ų161127.2 Ų127.261%0.60863%0.632SS**Hα-helixtrans-64.9-37.2177-66.4176.8-174.5-144.7-4.7112.9P331 S332 I333 E334P331-R336 PolarHBondContact O-NE 3.33Å; S332-R336 WeakPolarHBondContact O-CG 3.47Å; S332-R336 PolarHBondContact O-N 3.29Å; I333-R336 PolarHBondContact O-N 3.19Å; E334-R336 VanDerWaalsContact C-N 3.28Å; E334-R336 PolarHBondContact O-N 2.84Å
337K74.7Confident65.7Low140 Ų140130.5 Ų130.561%0.60963%0.634SS**Hα-helixtrans-70-52.8177.4-71175.6179.5-178.50111.2I333 E334 H335 V339 S340I333-K337 HydrophobicContact CG2-CD 4.43Å; I333-K337 WeakPolarHBondContact O-CG 3.48Å; I333-K337 PolarHBondContact O-N 3.48Å; I333-K337 VanDerWaalsContact O-N 3.16Å; E334-K337 PolarHBondContact O-N 3.05Å; E334-K337 VanDerWaalsContact O-N 3.14Å; H335-K337 PolarHBondContact O-N 2.78Å; K337-V339 VanDerWaalsContact C-N 3.32Å; K337-V339 PolarHBondContact O-N 2.85Å; K337-S340 PolarHBondContact O-N 2.82Å; K337-S340 VanDerWaalsContact O-N 3.08Å; K337-S340 PolarHBondContact O-OG 3Å
338N65.8Low64.4Low88 Ų88130.5 Ų130.547%0.47164%0.635SS.*Hα-helixtrans-62-32.7-175.2-76.9-6.6000113.9E334 S340 E341 K342E334-N338 PolarHBondContact O-N 3.08Å; N338-S340 VanDerWaalsContact C-N 3.29Å; N338-S340 PolarHBondContact O-N 3.25Å; N338-E341 PolarHBondContact O-N 3.02Å; N338-K342 PolarHBondContact O-N 2.93Å
339V67Low62.8Low78 Ų78135.8 Ų135.847%0.47365%0.649SS.*Hα-helixtrans-61.9-38.5176.21720000111.3H335 K337 E341 F343H335-V339 VanDerWaalsContact O-CG2 3.27Å; H335-V339 WeakPolarHBondContact O-CG2 3.38Å; H335-V339 PolarHBondContact O-N 3.11Å; K337-V339 VanDerWaalsContact C-N 3.32Å; K337-V339 PolarHBondContact O-N 2.85Å; V339-E341 VanDerWaalsContact C-N 3.3Å; V339-E341 PolarHBondContact O-N 3.14Å; V339-F343 HydrophobicContact CG1-CD2 4.47Å; V339-F343 HydrophobicContact CG1-CE2 3.99Å; V339-F343 WeakPolarHBondContact O-CD2 3.4Å
340S63.7Low61.5Low77 Ų77128.2 Ų128.254%0.53863%0.634SS.*Hα-helixtrans-70.2-26.4-179.673.60000113.8K337 N338K337-S340 PolarHBondContact O-N 2.82Å; K337-S340 VanDerWaalsContact O-N 3.08Å; K337-S340 PolarHBondContact O-OG 3Å; N338-S340 VanDerWaalsContact C-N 3.29Å; N338-S340 PolarHBondContact O-N 3.25Å
341E64.3Low59.9Low120 Ų120126.5 Ų126.556%0.56164%0.638SS**Hα-helixtrans-82.6-37.9-178.1-168.1158.7-141.900112.1N338 V339 F343 R344N338-E341 PolarHBondContact O-N 3.02Å; V339-E341 VanDerWaalsContact C-N 3.3Å; V339-E341 PolarHBondContact O-N 3.14Å; E341-F343 PolarHBondContact O-N 2.61Å; E341-F343 VanDerWaalsContact O-N 3.11Å; E341-R344 WeakPolarHBondContact O-CB 3.46Å; E341-R344 PolarHBondContact O-N 2.85Å
342K60Low58.1Low156 Ų156129.5 Ų129.568%0.67865%0.654SS**Hα-helixtrans-60-22.1176.1-71.5-175.7179.7-170.80114.4N338 T345N338-K342 PolarHBondContact O-N 2.93Å; K342-T345 PolarHBondContact O-OG1 3.14Å
343F56.2Low56.3Low159 Ų159136.4 Ų136.470%0.69768%0.681SS**THydrogen-bonded Turntrans-88.6-4174.6-69.5-69000114.4V339 E341V339-F343 HydrophobicContact CG1-CD2 4.47Å; V339-F343 HydrophobicContact CG1-CE2 3.99Å; V339-F343 WeakPolarHBondContact O-CD2 3.4Å; E341-F343 PolarHBondContact O-N 2.61Å; E341-F343 VanDerWaalsContact O-N 3.11Å
344R60.4Low54.6Low203 Ų203139.7 Ų139.777%0.76669%0.691SS**THydrogen-bonded Turntrans-87.3-21.2176.3-82.4-178.9166.4163.7-5.3114.1E341E341-R344 WeakPolarHBondContact O-CB 3.46Å; E341-R344 PolarHBondContact O-N 2.85Å
345T49.6Very low52.6Low112 Ų112140.8 Ų140.869%0.68770%0.696SS**SBendtrans-88.2-12.5-173.249.30000114.3K342 K347K342-T345 PolarHBondContact O-OG1 3.14Å; T345-K347 PolarHBondContact O-N 2.86Å
346L43.9Very low50.7Low146 Ų146142.9 Ų142.976%0.76470%0.704SS**  trans-77.568.6168.1-64.3178.5000110.5
347K49.2Very low49.1Very low183 Ų183143.6 Ų143.680%0.79672%0.719SS**  trans-65.4130.6161.7-77.4-171.8175.5-177.80108.2T345 Q349T345-K347 PolarHBondContact O-N 2.86Å; K347-Q349 PolarHBondContact O-N 3.31Å
348P47.1Very low47.3Very low121 Ų121140.8 Ų140.879%0.78672%0.722SS**  trans-63.2118.5166.625.9-31.4000109.1S350P348-S350 PolarHBondContact O-N 2.95Å
349Q40Very low45.5Very low202 Ų202145.1 Ų145.194%0.94474%0.736SS**  trans-75.2109.7163.2-90.3-171.9-38.200108.2K347K347-Q349 PolarHBondContact O-N 3.31Å
350S40.8Very low44.1Very low90 Ų90147.9 Ų147.963%0.62976%0.756SS**  trans-150.696.2162.460.80000110.4P348P348-S350 PolarHBondContact O-N 2.95Å
351T37.1Very low42.5Very low127 Ų127149 Ų14978%0.77976%0.76SS**  trans33.5103.8135.5540000117.5
352V34.1Very low41.4Very low137 Ų137149.2 Ų149.283%0.8377%0.774SS**  63.986.887.6-179.40000112.6
353Q36.6Very low40.1Very low194 Ų194149.9 Ų149.991%0.90778%0.777SS**  trans-127.3132142.3-96.8-173.1-8.300109.3
354K37.2Very low39.1Very low189 Ų189152.8 Ų152.882%0.82279%0.785SS**  trans-49.2130.3-175.5-58.6157.3-179.6-179.70110.4
355Q30.7Very low37.8Very low149 Ų149154.1 Ų154.170%0.69679%0.79SS**  68.613257.8-155.2-177.58.600112.8
356F32.3Very low37.1Very low168 Ų168154.7 Ų154.774%0.73780%0.799SS**  trans86.891171.5-52.1-71000119.5
357L40.6Very low36.5Very low176 Ų176152.8 Ų152.892%0.92180%0.797SS**  -148.5119.1115.8-139.466.3000111.4
358A37Very low35.7Very low82 Ų82149.3 Ų149.368%0.67880%0.796SS**  trans8.7121.116000000119.7
359K27.4Very low35.3Very low178 Ų178148.4 Ų148.477%0.77479%0.793SS**  67.3134.682.3-72.8-175.6178.2178.20112.6T361K359-T361 HydrophobicContact CG-CG2 4.43Å
360P37.2Very low35Very low136 Ų136147.7 Ų147.788%0.88379%0.789SS**  -105.7153.654.235.3-36.3000115.9
361T31.1Very low34.8Very low101 Ų101150.8 Ų150.862%0.6280%0.799SS**  trans-100.9135.2167.647.30000109.7K359K359-T361 HydrophobicContact CG-CG2 4.43Å
362S40.2Very low34.8Very low124 Ų124152.6 Ų152.687%0.86780%0.803SS**  trans-121.5135.7148.1-166.20000109.1
363K33.6Very low35Very low170 Ų170152.2 Ų152.274%0.73980%0.803SS**  trans-104.4178.4179.9-66.6178.1179176.30108.7
364Y35.2Very low34.9Very low221 Ų221146.7 Ų146.787%0.86780%0.798SS**  trans73.2120-171-60.8-95.7000111.6
365R32.1Very low34.9Very low231 Ų231146.4 Ų146.487%0.87280%0.802SS**  cis59.182.926-163.1-167.6-174.4-1702113
366S35.8Very low35.3Very low123 Ų123142.7 Ų142.786%0.8679%0.793SS**  -156.4164.3121-101.20000111.1
367S31.8Very low36.1Very low106 Ų106139.4 Ų139.474%0.74179%0.788SS**  trans-85.8164.6-175.2-55.40000112.3
368S32.7Very low36.4Very low110 Ų110138.2 Ų138.277%0.76978%0.778SS**  trans67.3147.1161.739.20000119.2
369S37.9Very low37Very low102 Ų102137.7 Ų137.771%0.71377%0.774SS**  trans65.3124.1165.539.20000119.9
370E34.4Very low38.1Very low187 Ų187133.8 Ų133.887%0.87477%0.765SS**  trans83.8135.5144.3-66.8-179.8120.600121.6
371N36.3Very low38.7Very low156 Ų156133.1 Ų133.183%0.83475%0.754SS**PPolyproline II helixtrans-64.6145.5-178-57.4-73.4000110.8P373N371-P373 WeakPolarHBondContact O-CD 3.46Å
372L37.6Very low39.7Very low165 Ų165131.6 Ų131.686%0.86475%0.751SS**PPolyproline II helixtrans-65.2124157.2-68.6170.6000108.3
373P37.2Very low40.3Very low128 Ų128128.5 Ų128.583%0.83173%0.733SS**SBendtrans-68.1135.7169.529.3-33000109N371N371-P373 WeakPolarHBondContact O-CD 3.46Å
374G35.8Very low41.2Very low78 Ų78123.9 Ų123.980%0.80472%0.722SS**  trans147.4-10.8173.800000117.1
375M35.4Very low42.1Very low184 Ų184118.9 Ų118.991%0.90671%0.71SS**  trans-121.895.7170.7-61.4-171.779.700109.1
376S39.5Very low43.2Very low70 Ų70110.9 Ų110.949%0.4969%0.694SS.*  trans-64.9145.817569.10000110E378S376-E378 PolarHBondContact O-N 3.28Å
377P50.6Low44.3Very low100 Ų100110 Ų11065%0.64968%0.683SS**THydrogen-bonded Turntrans-64.6-12.5-178.124.6-33.7000113.8A379 T380P377-A379 PolarHBondContact O-N 3.46Å; P377-T380 WeakPolarHBondContact O-CB 3.23Å; P377-T380 PolarHBondContact O-N 3.16Å; P377-T380 VanDerWaalsContact O-N 3.1Å; P377-T380 PolarHBondContact O-OG1 3.01Å
378E45.2Very low45.4Very low150 Ų150107.5 Ų107.570%0.70167%0.668SS**Hα-helixtrans-61.8-37-177.6-149.2169.5176.400113.1S376 T380 L381 A382S376-E378 PolarHBondContact O-N 3.28Å; E378-T380 PolarHBondContact O-N 2.96Å; E378-L381 PolarHBondContact O-N 3.02Å; E378-A382 PolarHBondContact O-N 3.38Å
379A51.1Low46.4Very low72 Ų72109.9 Ų109.960%0.59567%0.665SS**Hα-helixtrans-62.6-27.9175.100000113P377 A383P377-A379 PolarHBondContact O-N 3.46Å; A379-A383 PolarHBondContact O-N 3.48Å
380T50.5Low47.1Very low96 Ų96107.7 Ų107.759%0.58965%0.653SS**Hα-helixtrans-75.3-30.9177.9-7.60000112.8P377 E378 S384P377-T380 WeakPolarHBondContact O-CB 3.23Å; P377-T380 PolarHBondContact O-N 3.16Å; P377-T380 VanDerWaalsContact O-N 3.1Å; P377-T380 PolarHBondContact O-OG1 3.01Å; E378-T380 PolarHBondContact O-N 2.96Å; T380-S384 PolarHBondContact O-N 2.97Å; T380-S384 PolarHBondContact O-OG 3.38Å
381L49.8Very low48.3Very low122 Ų122104.8 Ų104.864%0.63964%0.643SS**Hα-helixtrans-73.1-43.8176.3-83.9134.9000111.2E378 A383 S384 D385E378-L381 PolarHBondContact O-N 3.02Å; L381-A383 VanDerWaalsContact C-N 3.29Å; L381-A383 PolarHBondContact O-N 2.89Å; L381-S384 WeakPolarHBondContact O-CA 3.47Å; L381-S384 VanDerWaalsContact O-CB 3.31Å; L381-S384 WeakPolarHBondContact O-CB 3.36Å; L381-S384 PolarHBondContact O-N 3.37Å; L381-D385 PolarHBondContact O-N 2.97Å
382A51.6Low49.1Very low68 Ų68103.4 Ų103.456%0.56263%0.633SS**Hα-helixtrans-58.4-38.6175.600000113E378 S384 A386E378-A382 PolarHBondContact O-N 3.38Å; A382-S384 VanDerWaalsContact C-N 3.28Å; A382-S384 PolarHBondContact O-N 3.25Å; A382-A386 PolarHBondContact O-N 3.02Å
383A51.9Low49.6Very low59 Ų59101.8 Ų101.849%0.48863%0.625SS.*Hα-helixtrans-67.4-27.7174.300000113.2A379 L381 V387A379-A383 PolarHBondContact O-N 3.48Å; L381-A383 VanDerWaalsContact C-N 3.29Å; L381-A383 PolarHBondContact O-N 2.89Å; A383-V387 WeakPolarHBondContact O-CG2 3.36Å
384S52.8Low50Low74 Ų74101 Ų10152%0.51761%0.614SS.*Hα-helixtrans-73.9-43.2179.7-580000111.7T380 L381 A382 A386 V387 A388T380-S384 PolarHBondContact O-N 2.97Å; T380-S384 PolarHBondContact O-OG 3.38Å; L381-S384 WeakPolarHBondContact O-CA 3.47Å; L381-S384 VanDerWaalsContact O-CB 3.31Å; L381-S384 WeakPolarHBondContact O-CB 3.36Å; L381-S384 PolarHBondContact O-N 3.37Å; A382-S384 VanDerWaalsContact C-N 3.28Å; A382-S384 PolarHBondContact O-N 3.25Å; S384-A386 PolarHBondContact O-N 3.18Å; S384-V387 PolarHBondContact O-N 2.85Å; S384-A388 PolarHBondContact O-N 2.94Å; S384-A388 VanDerWaalsContact O-N 3.11Å
385D54Low50.7Low115 Ų115105.7 Ų105.762%0.61561%0.612SS**Hα-helixtrans-67.4-34.7178.5-89.6-18.2000113.4L381 V387 A388 K389L381-D385 PolarHBondContact O-N 2.97Å; D385-V387 VanDerWaalsContact C-N 3.32Å; D385-V387 PolarHBondContact O-N 2.73Å; D385-A388 PolarHBondContact O-N 3.1Å; D385-K389 PolarHBondContact O-N 3.42Å
386A54.7Low51.4Low64 Ų64101.3 Ų101.353%0.52960%0.6SS.*Hα-helixtrans-62.1-39.917500000112A382 S384 A390A382-A386 PolarHBondContact O-N 3.02Å; S384-A386 PolarHBondContact O-N 3.18Å; A386-A390 WeakPolarHBondContact O-CB 3.47Å; A386-A390 PolarHBondContact O-N 3.34Å; A386-A390 VanDerWaalsContact O-N 3.1Å
387V58.8Low51.6Low104 Ų104103.6 Ų103.663%0.6361%0.607SS**Hα-helixtrans-69.8-38.1176.4175.70000111.3A383 S384 D385 A390 L391A383-V387 WeakPolarHBondContact O-CG2 3.36Å; S384-V387 PolarHBondContact O-N 2.85Å; D385-V387 VanDerWaalsContact C-N 3.32Å; D385-V387 PolarHBondContact O-N 2.73Å; V387-A390 PolarHBondContact O-N 2.82Å; V387-L391 PolarHBondContact O-N 3.24Å
388A56Low51.5Low53 Ų53105.7 Ų105.744%0.43861%0.611SS.*Hα-helixtrans-63.4-45175.800000112.4S384 D385 L391 M392S384-A388 PolarHBondContact O-N 2.94Å; S384-A388 VanDerWaalsContact O-N 3.11Å; D385-A388 PolarHBondContact O-N 3.1Å; A388-L391 PolarHBondContact O-N 3.4Å; A388-M392 PolarHBondContact O-N 3.28Å
389K52.8Low51.6Low161 Ų161103.2 Ų103.270%0.762%0.616SS**Hα-helixtrans-63.1-40.6175.3-79.1-180175.2174.40112.6D385 L391 M392 N393D385-K389 PolarHBondContact O-N 3.42Å; K389-L391 VanDerWaalsContact C-N 3.26Å; K389-L391 PolarHBondContact O-N 2.87Å; K389-M392 PolarHBondContact O-N 3.25Å; K389-N393 PolarHBondContact O-N 2.96Å
390A54Low51.5Low56 Ų56104.6 Ų104.646%0.46362%0.621SS.*Hα-helixtrans-63.6-30.1177.200000113.3A386 V387 N394A386-A390 WeakPolarHBondContact O-CB 3.47Å; A386-A390 PolarHBondContact O-N 3.34Å; A386-A390 VanDerWaalsContact O-N 3.1Å; V387-A390 PolarHBondContact O-N 2.82Å; A390-N394 PolarHBondContact O-ND2 3.25Å
391L58.8Low50.9Low126 Ų126110.5 Ų110.566%0.6663%0.633SS**Hα-helixtrans-76.7-32.2179.2-165.269000113V387 A388 K389V387-L391 PolarHBondContact O-N 3.24Å; A388-L391 PolarHBondContact O-N 3.4Å; K389-L391 VanDerWaalsContact C-N 3.26Å; K389-L391 PolarHBondContact O-N 2.87Å
392M53.7Low50.2Low127 Ų127108.1 Ų108.163%0.62664%0.638SS**Hα-helixtrans-70.7-40.7179.6-74.1-69.6107.500112.8A388 K389 N394A388-M392 PolarHBondContact O-N 3.28Å; K389-M392 PolarHBondContact O-N 3.25Å; M392-N394 VanDerWaalsContact C-N 3.29Å; M392-N394 PolarHBondContact O-N 3.3Å
393N48.2Very low49.4Very low130 Ų130114 Ų11470%0.69566%0.656SS**G310 helixtrans-76.5-8.5-176.2-73.45.2000114.6K389 K395K389-N393 PolarHBondContact O-N 2.96Å; N393-K395 VanDerWaalsContact C-N 3.35Å; N393-K395 PolarHBondContact O-N 3.43Å
394N44.9Very low48.6Very low111 Ų111119.3 Ų119.359%0.59467%0.671SS**G310 helixtrans-87.19.2-175.2-95.2-78.6000115.2A390 M392A390-N394 PolarHBondContact O-ND2 3.25Å; M392-N394 VanDerWaalsContact C-N 3.29Å; M392-N394 PolarHBondContact O-N 3.3Å
395K50.1Low47.8Very low177 Ų177126.6 Ų126.677%0.7769%0.687SS**G310 helixtrans-85.5-16-179.7-81.6-175175178.90115.3N393N393-K395 VanDerWaalsContact C-N 3.35Å; N393-K395 PolarHBondContact O-N 3.43Å
396S51.1Low47.1Very low93 Ų93127 Ų12765%0.6569%0.693SS**SBendtrans-94.8-24.1-172.341.70000115.7
397D43.6Very low46.2Very low118 Ų118131 Ų13163%0.63170%0.701SS**SBendtrans-1024.1-169.5-85.2-76.1000116.1A399D397-A399 PolarHBondContact O-N 3.14Å
398I48.6Very low45.7Very low144 Ų144131.5 Ų131.574%0.73871%0.709SS**THydrogen-bonded Turntrans-69.8-20.3-178.7-61.5174.8000112.1
399A47.1Very low44.9Very low98 Ų98137.5 Ų137.581%0.8173%0.728SS**THydrogen-bonded Turntrans-76.9-21.5-17600000115.1D397D397-A399 PolarHBondContact O-N 3.14Å
400S49.3Very low44.5Very low101 Ų101140.4 Ų140.471%0.70673%0.734SS**SBendtrans-123.14.1-161.9-61.30000116.4
401R37.6Very low44Very low220 Ų220143.7 Ų143.783%0.8375%0.751SS**  trans-130.580.1172.6-75.7-169.9178.3177.61.9113.6
402G34.8Very low43.2Very low72 Ų72143.8 Ų143.874%0.74276%0.756SS**  trans-61.5138.2151.600000110.7
403M35.3Very low42.9Very low191 Ų191144.9 Ų144.994%0.94176%0.763SS**  trans58.666.8162.3-51.2-142.979.200118.2
404Q33.7Very low42.5Very low171 Ų171143.8 Ų143.880%0.79977%0.766SS**  trans-132134.5139-129.11781300112.3V406Q404-V406 PolarHBondContact O-N 2.9Å
405R37Very low42.7Very low227 Ų227145.2 Ų145.286%0.85777%0.772SS**  trans-84.177.4-163.7-171-174.1-171.9-152.36.7110.3Q407R405-Q407 PolarHBondContact O-N 2.99Å
406V39.5Very low42.9Very low123 Ų123142.7 Ų142.775%0.74577%0.774SS**  trans-64.499.6177.3-176.10000109.7Q404 S408Q404-V406 PolarHBondContact O-N 2.9Å; V406-S408 PolarHBondContact O-N 3.03Å
407Q35.7Very low43.2Very low149 Ų149144.9 Ų144.970%0.69678%0.783SS**  trans-62.4120164.6-69.6177-18.900107.6R405 H409R405-Q407 PolarHBondContact O-N 2.99Å; Q407-H409 PolarHBondContact O-N 2.94Å; Q407-H409 VanDerWaalsContact O-N 3.14Å
408S47.1Very low43.7Very low114 Ų114141.7 Ų141.780%0.79778%0.779SS**  trans-65.6116.8177.841.60000110.3V406 R410V406-S408 PolarHBondContact O-N 3.03Å; S408-R410 PolarHBondContact O-N 3.36Å; S408-R410 VanDerWaalsContact O-N 3.11Å
409H39.2Very low44Very low179 Ų179141.3 Ų141.383%0.82979%0.785SS**  trans-61111.6-175.7-58.2-88.9000111.3Q407Q407-H409 PolarHBondContact O-N 2.94Å; Q407-H409 VanDerWaalsContact O-N 3.14Å
410R45.5Very low44.6Very low222 Ų222147.5 Ų147.584%0.83879%0.788SS**  trans-89.6137.8148.2-87.6-172.3168.2-160.6-4.6107.8S408 V412S408-R410 PolarHBondContact O-N 3.36Å; S408-R410 VanDerWaalsContact O-N 3.11Å; R410-V412 PolarHBondContact O-N 3.47Å
411P43.9Very low45Very low125 Ų125148.2 Ų148.281%0.81279%0.79SS**  trans-63.9112.3173.226.4-32.8000109I413P411-I413 PolarHBondContact O-N 3.43Å
412V41.6Very low46.6Very low127 Ų127144 Ų14477%0.7779%0.789SS**  trans-84.7108.4171.5177.70000106.8R410 S414R410-V412 PolarHBondContact O-N 3.47Å; V412-S414 PolarHBondContact O-N 3.34Å
413I46.4Very low48.1Very low150 Ų150145.7 Ų145.777%0.76979%0.787SS**  trans-68.6100.3168.9-61.1172.6000106.8P411 L415P411-I413 PolarHBondContact O-N 3.43Å; I413-L415 PolarHBondContact O-N 2.85Å; I413-L415 VanDerWaalsContact O-N 3.08Å
414S40.4Very low49.6Very low108 Ų108142.1 Ų142.176%0.75578%0.778SS**  trans-75.290.7179.551.80000110.5V412V412-S414 PolarHBondContact O-N 3.34Å
415L49.2Very low51.4Low140 Ų140139.9 Ų139.973%0.73378%0.778SS**  trans-73.5140.7162.7-68.7172000109.2I413 V417I413-L415 PolarHBondContact O-N 2.85Å; I413-L415 VanDerWaalsContact O-N 3.08Å; L415-V417 PolarHBondContact O-N 3.36Å
416P53.3Low52.8Low125 Ų125140.5 Ų140.581%0.81278%0.781SS**  trans-65.3120.4-175.925.4-33.7000111.1G418P416-G418 PolarHBondContact O-N 3.07Å
417V58.6Low54.4Low138 Ų138140 Ų14084%0.83678%0.779SS**  trans-81.197.6174.2-178.80000108L415L415-V417 PolarHBondContact O-N 3.36Å
418G53.3Low55.7Low52 Ų52140.4 Ų140.454%0.53679%0.787SS.*PPolyproline II helixtrans-60.7162.1171.300000112.5P416 R420P416-G418 PolarHBondContact O-N 3.07Å; G418-R420 PolarHBondContact O-N 2.81Å; G418-R420 VanDerWaalsContact O-N 3.13Å
419P55.8Low56.8Low135 Ų135141.2 Ų141.288%0.87779%0.786SS**PPolyproline II helixtrans-58.8119-173.223.9-33.9000111.2P421P419-P421 WeakPolarHBondContact O-CD 3.24Å
420R59.1Low58.4Low228 Ų228136.2 Ų136.286%0.8678%0.776SS**PPolyproline II helixtrans-81.9121.1-177.2-169.1179.8-171.4-143.71.9109.3G418 T422G418-R420 PolarHBondContact O-N 2.81Å; G418-R420 VanDerWaalsContact O-N 3.13Å; R420-T422 PolarHBondContact O-N 2.69Å
421P58.2Low59.8Low117 Ų117130.8 Ų130.876%0.7677%0.77SS**PPolyproline II helixtrans-59.1131.5179-24.734.3000111.8P419P419-P421 WeakPolarHBondContact O-CD 3.24Å
422T70.4Confident61.2Low131 Ų131130.4 Ų130.480%0.80477%0.767SS**PPolyproline II helixtrans-64.4131.6175.2-37.30000109.3R420R420-T422 PolarHBondContact O-N 2.69Å
423P67.3Low62.8Low107 Ų107130 Ų13070%0.69577%0.768SS**PPolyproline II helixtrans-65.4144.7178.227.2-34.5000110.9
424P66.4Low63.9Low116 Ų116128.3 Ų128.375%0.75377%0.766SS**PPolyproline II helixtrans-64.7150.1178.627.3-34.7000111.5
425P72.2Confident65.3Low125 Ų125128.6 Ų128.681%0.81277%0.765SS**PPolyproline II helixtrans-61.9139.6179.725.8-33.8000111.2
426R66.4Low66Low240 Ų240127.7 Ų127.791%0.90677%0.768SS**PPolyproline II helixtrans-70.7139.4172.1-87.9-177.6168.5-178.2-4.7109.8
427P71.5Confident66.2Low111 Ų111127.6 Ų127.672%0.72177%0.767SS**PPolyproline II helixtrans-56.3143.4162.7-2233.5000110.5V429P427-V429 PolarHBondContact O-N 3.04Å
428D64.9Low66Low158 Ų158125.6 Ų125.685%0.84577%0.765SS**  trans-72.689.7-176.6-162.71.4000110.6A430D428-A430 PolarHBondContact O-N 3.17Å; D428-A430 VanDerWaalsContact O-N 3.1Å
429V69.4Low65.6Low131 Ų131127.7 Ų127.779%0.79478%0.778SS**  trans-77.895172.1-179.30000107.1P427P427-V429 PolarHBondContact O-N 3.04Å
430A72Confident64.7Low74 Ų74126.5 Ų126.561%0.61277%0.773SS**  trans-45.8137.4178.500000111.5D428D428-A430 PolarHBondContact O-N 3.17Å; D428-A430 VanDerWaalsContact O-N 3.1Å
431P76.5Confident63.6Low109 Ų109121.3 Ų121.371%0.70877%0.771SS**PPolyproline II helixtrans-61.4145.9-176.525.1-34000111.3
432P72.5Confident62.7Low117 Ų117119.8 Ų119.876%0.7677%0.769SS**PPolyproline II helixtrans-62145.6-179.126.5-34.8000111.3
433P74.3Confident60.8Low119 Ų119122.1 Ų122.177%0.77378%0.775SS**PPolyproline II helixtrans-63.6149.1-175.625.9-34.8000112.1
434P71.1Confident59.4Low114 Ų114121.7 Ų121.774%0.7477%0.772SS**PPolyproline II helixtrans-65148.3179.327.6-34.7000111.5
435P68.5Low57.8Low114 Ų114124.7 Ų124.774%0.7478%0.776SS**PPolyproline II helixtrans-64146.6175.328.2-34.5000110.7
436P64.4Low56Low120 Ų120127.8 Ų127.878%0.77978%0.777SS**PPolyproline II helixtrans-61.1139.4179.125.6-34000110.5A438P436-A438 PolarHBondContact O-N 2.94Å
437P58Low54.8Low123 Ų123123 Ų12380%0.79977%0.769SS**PPolyproline II helixtrans-63127.7177.626.1-33.1000109.5A439P437-A439 PolarHBondContact O-N 3.38Å
438A54.5Low53.5Low96 Ų96127.2 Ų127.279%0.79378%0.776SS**  trans-62.4108.716900000108P436 S440P436-A438 PolarHBondContact O-N 2.94Å; A438-S440 PolarHBondContact O-N 3.3Å
439A45.1Very low52.1Low97 Ų97123 Ų12380%0.80277%0.77SS**  trans-62.4107.5-17800000110.1P437P437-A439 PolarHBondContact O-N 3.38Å
440S37Very low50.6Low110 Ų110121.8 Ų121.877%0.76977%0.767SS**  trans-73.6134.5166.1-71.40000109.7A438A438-S440 PolarHBondContact O-N 3.3Å
441S35.3Very low49.2Very low118 Ų118127.5 Ų127.583%0.82578%0.778SS**  trans79.5171169.685.20000118.4
442A38.1Very low47.7Very low86 Ų86127.7 Ų127.771%0.71178%0.782SS**  trans78.662.9175.700000118.2
443L30.5Very low46.5Very low179 Ų179127.7 Ų127.794%0.93779%0.785SS**  -77.1124.4126.1-99.8166000108
444P38.8Very low45.3Very low99 Ų99127.9 Ų127.964%0.64378%0.784SS**  trans-115.5159.9169.340.2-31.2000112.9
445Q32.6Very low44.4Very low179 Ų179126.3 Ų126.384%0.83678%0.78SS**  trans75.6115.7161-48-151.60.700120.7
446K34.1Very low43.8Very low189 Ų189126.7 Ų126.782%0.82278%0.78SS**  16.6108.5126.1-58.5176.3178.7179.80117.1
447L42.3Very low43.4Very low140 Ų140125.9 Ų125.973%0.73378%0.775SS**  174.7149.2111.3-108.9109.2000108
448F43Very low43.6Very low199 Ų199125.4 Ų125.487%0.87377%0.772SS**  trans62.4112.4-173.3-45.5-77.3000113.5
449G36.2Very low43.8Very low69 Ų69126.3 Ų126.371%0.71177%0.77SS**  cis99.380.520.900000110.5
450S37.7Very low44.6Very low106 Ų106127 Ų12774%0.74177%0.766SS**  trans68.2115.1156.1-67.20000120.5
451K42.2Very low46.1Very low195 Ų195127.1 Ų127.185%0.84876%0.764SS**  trans75.192.1136.6-57.1169.8-172.2-178.70118.8
452S44.8Very low47.3Very low113 Ų113132.9 Ų132.979%0.7977%0.767SS**  -173.778.2118.638.50000111.3V454S452-V454 VanDerWaalsContact C-N 3.3Å; S452-V454 PolarHBondContact O-N 3.5Å
453S47.7Very low48.2Very low116 Ų116132.5 Ų132.581%0.81176%0.756SS**  trans-72.390.5165.4-174.40000108.7A455S453-A455 PolarHBondContact O-N 3.44Å
454V49.5Very low49.7Very low124 Ų124130 Ų13075%0.75274%0.744SS**  trans-7189161.2179.80000106.1S452 V456S452-V454 VanDerWaalsContact C-N 3.3Å; S452-V454 PolarHBondContact O-N 3.5Å; V454-V456 VanDerWaalsContact C-N 3.31Å; V454-V456 PolarHBondContact O-N 3.11Å
455A52.3Low50.8Low80 Ų80129.2 Ų129.266%0.66174%0.741SS**  trans-64.392177.400000109.2S453 P457S453-A455 PolarHBondContact O-N 3.44Å; A455-P457 VanDerWaalsContact O-CD 3.28Å; A455-P457 WeakPolarHBondContact O-CD 3.28Å; A455-P457 VanDerWaalsContact O-N 3.13Å
456V55.1Low52.3Low123 Ų123127.2 Ų127.275%0.74574%0.735SS**  trans-59.7114.9168.31790000106.5V454V454-V456 VanDerWaalsContact C-N 3.31Å; V454-V456 PolarHBondContact O-N 3.11Å
457P57.3Low53.7Low103 Ų103120.8 Ų120.867%0.66972%0.717SS**PPolyproline II helixtrans-62.7139.5-178.325.4-33.2000109A455A455-P457 VanDerWaalsContact O-CD 3.28Å; A455-P457 WeakPolarHBondContact O-CD 3.28Å; A455-P457 VanDerWaalsContact O-N 3.13Å
458P62.1Low54.8Low113 Ų113118.1 Ų118.173%0.73470%0.701SS**PPolyproline II helixtrans-58141.317824.8-33.7000109.6
459P59Low56.1Low115 Ų115112.8 Ų112.875%0.74768%0.678SS**PPolyproline II helixtrans-57.8139.617825-33.9000109.4
460P61.4Low57.8Low111 Ų111113.8 Ų113.872%0.72167%0.667SS**PPolyproline II helixtrans-56.7140.9-17723.1-33.5000110R462P460-R462 PolarHBondContact O-N 3.31Å
461P69.3Low59.3Low112 Ų112114.7 Ų114.773%0.72766%0.66SS**PPolyproline II helixtrans-54.8130.7178.722.7-32.7000108.8V463P461-V463 PolarHBondContact O-N 3.1Å
462R59.8Low60.5Low239 Ų239115 Ų11590%0.90266%0.655SS**  trans-68.580.2175.2-72.6-176.8-179.4147.41109.2P460 D464P460-R462 PolarHBondContact O-N 3.31Å; R462-D464 PolarHBondContact O-N 3.18Å; R462-D464 VanDerWaalsContact O-N 3.1Å
463V55.9Low61.7Low79 Ų79117.9 Ų117.948%0.47965%0.649SS.*  trans-60.2108.2157.4-76.90000106.7P461 S465P461-V463 PolarHBondContact O-N 3.1Å; V463-S465 VanDerWaalsContact C-N 3.26Å; V463-S465 PolarHBondContact O-N 3.21Å; V463-S465 PolarHBondContact O-OG 3.18Å
464D62.9Low62.7Low127 Ų127118 Ų11868%0.67964%0.635SS**  trans-58.395.1168.5-78.8-44.9000107.1R462 L466 A467 H468R462-D464 PolarHBondContact O-N 3.18Å; R462-D464 VanDerWaalsContact O-N 3.1Å; D464-L466 PolarHBondContact O-N 3.24Å; D464-A467 HydrophobicContact CB-CB 4.28Å; D464-A467 WeakPolarHBondContact O-CB 3.43Å; D464-A467 PolarHBondContact O-N 3.26Å; D464-H468 PolarHBondContact O-N 3.42Å
465S62.2Low63.6Low82 Ų82121.6 Ų121.657%0.57364%0.641SS**Hα-helixtrans-58.6-28.6-165.2-50.10000112.3V463 E469V463-S465 VanDerWaalsContact C-N 3.26Å; V463-S465 PolarHBondContact O-N 3.21Å; V463-S465 PolarHBondContact O-OG 3.18Å; S465-E469 WeakPolarHBondContact O-CB 3.47Å; S465-E469 PolarHBondContact O-N 2.99Å
466L63.1Low64.4Low137 Ų137125 Ų12572%0.71764%0.641SS**Hα-helixtrans-63.8-36.3173.9-68.1172000113.5D464 L470D464-L466 PolarHBondContact O-N 3.24Å; L466-L470 WeakPolarHBondContact O-CB 3.36Å; L466-L470 WeakPolarHBondContact O-CD1 3.36Å; L466-L470 WeakPolarHBondContact O-CG 3.35Å; L466-L470 PolarHBondContact O-N 3.1Å; L466-L470 VanDerWaalsContact O-N 3.07Å
467A65Low65Low54 Ų54126.4 Ų126.445%0.44664%0.637SS.*Hα-helixtrans-70-52.8178.900000110.6D464 E469 L470 E471D464-A467 HydrophobicContact CB-CB 4.28Å; D464-A467 WeakPolarHBondContact O-CB 3.43Å; D464-A467 PolarHBondContact O-N 3.26Å; A467-E469 VanDerWaalsContact C-N 3.34Å; A467-E469 PolarHBondContact O-N 3.02Å; A467-L470 PolarHBondContact O-N 3.25Å; A467-E471 WeakPolarHBondContact O-CB 3.39Å; A467-E471 PolarHBondContact O-N 2.98Å
468H64.1Low65.6Low83 Ų83124.8 Ų124.838%0.38462%0.623SS.*Hα-helixtrans-64.7-33.9177.3-78.16.9000113.2D464 E471 R472D464-H468 PolarHBondContact O-N 3.42Å; H468-E471 IonicContact ND1-OE2 2.93Å; H468-E471 PolarHBondContact O-N 3.45Å; H468-R472 WeakPolarHBondContact O-CG 3.36Å; H468-R472 PolarHBondContact O-N 2.86Å
469E71.5Confident66.1Low87 Ų87123.1 Ų123.141%0.40762%0.618SS.*Hα-helixtrans-72.8-34.3176.8-177.1154.4-163.600112.4S465 A467 R473S465-E469 WeakPolarHBondContact O-CB 3.47Å; S465-E469 PolarHBondContact O-N 2.99Å; A467-E469 VanDerWaalsContact C-N 3.34Å; A467-E469 PolarHBondContact O-N 3.02Å; E469-R473 HydrophobicContact CG-CG 4.3Å; E469-R473 VanDerWaalsContact O-CB 3.27Å; E469-R473 WeakPolarHBondContact O-CB 3.46Å; E469-R473 WeakPolarHBondContact O-CD 3.47Å; E469-R473 WeakPolarHBondContact O-CG 3.31Å; E469-R473 PolarHBondContact O-N 3.31Å; E469-R473 IonicContact OE1-CZ 3.18Å; E469-R473 IonicContact OE1-NE 2.69Å; E469-R473 PolarHBondContact OE1-NE 3.13Å; E469-R473 IonicContact OE1-NH2 2.65Å; E469-R473 PolarHBondContact OE1-NH2 3.5Å
470L70.4Confident66.8Low90 Ų90126.7 Ų126.747%0.47162%0.617SS.*Hα-helixtrans-65.9-41.7169.7-73.1171.5000111.6L466 A467 R472 R473 F474L466-L470 WeakPolarHBondContact O-CB 3.36Å; L466-L470 WeakPolarHBondContact O-CD1 3.36Å; L466-L470 WeakPolarHBondContact O-CG 3.35Å; L466-L470 PolarHBondContact O-N 3.1Å; L466-L470 VanDerWaalsContact O-N 3.07Å; A467-L470 PolarHBondContact O-N 3.25Å; L470-R472 PolarHBondContact O-N 3.42Å; L470-R473 PolarHBondContact O-N 3.3Å; L470-F474 HydrophobicContact CD2-CD2 4.07Å; L470-F474 HydrophobicContact CD2-CE2 3.87Å; L470-F474 WeakPolarHBondContact O-CB 3.44Å; L470-F474 WeakPolarHBondContact O-CD2 3.47Å; L470-F474 PolarHBondContact O-N 3.35Å
471E69.5Low67.3Low126 Ų126129.3 Ų129.359%0.58961%0.614SS**Hα-helixtrans-67.3-31.4179.3-168.9167.5-149.100113.4A467 H468A467-E471 WeakPolarHBondContact O-CB 3.39Å; A467-E471 PolarHBondContact O-N 2.98Å; H468-E471 IonicContact ND1-OE2 2.93Å; H468-E471 PolarHBondContact O-N 3.45Å
472R68.7Low67.5Low201 Ų201128.7 Ų128.776%0.75860%0.604SS**Hα-helixtrans-76.8-36.6169.9-70.5-174-160.31431.9113.7H468 L470H468-R472 WeakPolarHBondContact O-CG 3.36Å; H468-R472 PolarHBondContact O-N 2.86Å; L470-R472 PolarHBondContact O-N 3.42Å
473R68.7Low68.2Low174 Ų174121.9 Ų121.966%0.65759%0.59SS**Hα-helixtrans-77-29.1-178.3-74.5173.2178.7-1368112.6E469 L470E469-R473 HydrophobicContact CG-CG 4.3Å; E469-R473 VanDerWaalsContact O-CB 3.27Å; E469-R473 WeakPolarHBondContact O-CB 3.46Å; E469-R473 WeakPolarHBondContact O-CD 3.47Å; E469-R473 WeakPolarHBondContact O-CG 3.31Å; E469-R473 PolarHBondContact O-N 3.31Å; E469-R473 IonicContact OE1-CZ 3.18Å; E469-R473 IonicContact OE1-NE 2.69Å; E469-R473 PolarHBondContact OE1-NE 3.13Å; E469-R473 IonicContact OE1-NH2 2.65Å; E469-R473 PolarHBondContact OE1-NH2 3.5Å; L470-R473 PolarHBondContact O-N 3.3Å
474F68.2Low69.1Low117 Ų117121 Ų12151%0.51359%0.588SS.*SBendtrans-123.2112.6179-61.6-82.4000109L470 F476L470-F474 HydrophobicContact CD2-CD2 4.07Å; L470-F474 HydrophobicContact CD2-CE2 3.87Å; L470-F474 WeakPolarHBondContact O-CB 3.44Å; L470-F474 WeakPolarHBondContact O-CD2 3.47Å; L470-F474 PolarHBondContact O-N 3.35Å; F474-F476 HydrophobicContact CB-CD2 4.01Å; F474-F476 HydrophobicContact CB-CE1 4.49Å; F474-F476 HydrophobicContact CB-CE2 3.57Å; F474-F476 HydrophobicContact CB-CZ 3.84Å; F474-F476 HydrophobicContact CG-CE2 4.4Å; F474-F476 HydrophobicContact CG-CZ 4.37Å; F474-F476 VanDerWaalsContact O-CD2 3.23Å; F474-F476 WeakPolarHBondContact O-CD2 3.4Å; F474-F476 PolarHBondContact O-N 3.34Å
475F70.2Confident69.8Low200 Ų200118.1 Ų118.188%0.87758%0.576SS**  trans-6582.6168.4-74.8-83.7000110K477F475-K477 PolarHBondContact O-N 3.28Å
476F68.4Low70.3Confident153 Ų153118.3 Ų118.367%0.67158%0.575SS**  trans-68.396.3168.1-67.9-73.5000108F474 D478F474-F476 HydrophobicContact CB-CD2 4.01Å; F474-F476 HydrophobicContact CB-CE1 4.49Å; F474-F476 HydrophobicContact CB-CE2 3.57Å; F474-F476 HydrophobicContact CB-CZ 3.84Å; F474-F476 HydrophobicContact CG-CE2 4.4Å; F474-F476 HydrophobicContact CG-CZ 4.37Å; F474-F476 VanDerWaalsContact O-CD2 3.23Å; F474-F476 WeakPolarHBondContact O-CD2 3.4Å; F474-F476 PolarHBondContact O-N 3.34Å; F476-D478 PolarHBondContact O-N 3.35Å
477K68.1Low70.8Confident151 Ų151116.6 Ų116.666%0.65756%0.564SS**  trans-57.9126.3164.9-65.6-173.4177.2-174.60107.6F475 A479 L482F475-K477 PolarHBondContact O-N 3.28Å; K477-A479 PolarHBondContact O-N 3.26Å; K477-L482 HydrophobicContact CB-CD2 3.92Å; K477-L482 HydrophobicContact CB-CG 4.41Å; K477-L482 HydrophobicContact CD-CD2 4.39Å
478D70Confident71.2Confident70 Ų70119.4 Ų119.437%0.37457%0.566SS.*  trans-50133.5172.71689.4000108.9F476 R480 Y481F476-D478 PolarHBondContact O-N 3.35Å; D478-R480 PolarHBondContact O-N 3.21Å; D478-R480 PolarHBondContact OD1-N 3.36Å; D478-R480 IonicContact OD1-NE 2.81Å; D478-R480 IonicContact OD2-CZ 3.88Å; D478-R480 IonicContact OD2-NE 3.17Å; D478-R480 PolarHBondContact OD2-NE 2.88Å; D478-R480 IonicContact OD2-NH2 3.63Å; D478-R480 PolarHBondContact OD2-NH2 2.75Å; D478-Y481 HydrophobicContact CB-CD2 3.94Å; D478-Y481 HydrophobicContact CB-CE2 4.23Å; D478-Y481 PolarHBondContact O-N 2.88Å
479A71.8Confident71.3Confident77 Ų77123.2 Ų123.264%0.63658%0.577SS**G310 helixtrans-56.8-21.1-169.100000113.4K477 Y481 L482K477-A479 PolarHBondContact O-N 3.26Å; A479-Y481 VanDerWaalsContact C-N 3.27Å; A479-Y481 PolarHBondContact O-N 3.31Å; A479-L482 PolarHBondContact O-N 3.38Å
480R73.3Confident71.2Confident191 Ų191127.5 Ų127.572%0.72160%0.597SS**G310 helixtrans-66.1-23.4173.5-61.3-177.7-66.91601.6114.2D478D478-R480 PolarHBondContact O-N 3.21Å; D478-R480 PolarHBondContact OD1-N 3.36Å; D478-R480 IonicContact OD1-NE 2.81Å; D478-R480 IonicContact OD2-CZ 3.88Å; D478-R480 IonicContact OD2-NE 3.17Å; D478-R480 PolarHBondContact OD2-NE 2.88Å; D478-R480 IonicContact OD2-NH2 3.63Å; D478-R480 PolarHBondContact OD2-NH2 2.75Å
481Y72.4Confident71.1Confident165 Ų165128.5 Ų128.565%0.64760%0.602SS**G310 helixtrans-1061.2-179.7-55.1-83.5000113.4D478 A479D478-Y481 HydrophobicContact CB-CD2 3.94Å; D478-Y481 HydrophobicContact CB-CE2 4.23Å; D478-Y481 PolarHBondContact O-N 2.88Å; A479-Y481 VanDerWaalsContact C-N 3.27Å; A479-Y481 PolarHBondContact O-N 3.31Å
482L74.1Confident71Confident99 Ų99133.2 Ų133.252%0.51862%0.615SS.*SBendtrans-77.6132.6169.2-67.6176.6000108.7K477 A479K477-L482 HydrophobicContact CB-CD2 3.92Å; K477-L482 HydrophobicContact CB-CG 4.41Å; K477-L482 HydrophobicContact CD-CD2 4.39Å; A479-L482 PolarHBondContact O-N 3.38Å
483P74Confident70.8Confident96 Ų96129.5 Ų129.562%0.62362%0.617SS**PPolyproline II helixtrans-60.7143.8174.927.1-34.3000109.5
484S74.5Confident70.5Confident60 Ų60128.7 Ų128.742%0.4262%0.624SS.*PPolyproline II helixtrans-56.6133.5175.647.80000110R489S484-R489 PolarHBondContact O-NE 2.92Å; S484-R489 VanDerWaalsContact O-NE 3.13Å
485P77Confident69.9Low67 Ų67132 Ų13244%0.43564%0.638SS.*PPolyproline II helixtrans-57.1150.6176.8-22.833.1000110.5E487 F488 R489P485-E487 WeakPolarHBondContact CB-OE2 3.06Å; P485-E487 PolarHBondContact O-N 3.29Å; P485-F488 HydrophobicContact CB-CD2 4.01Å; P485-F488 HydrophobicContact CG-CD2 4.16Å; P485-F488 PolarHBondContact O-N 3.42Å; P485-R489 PolarHBondContact O-N 3.16Å
486P73.5Confident69.4Low86 Ų86133.9 Ų133.956%0.55864%0.639SS**G310 helixtrans-49.6-36.9-171.8-28.236000114.2F488 R489P486-F488 VanDerWaalsContact C-N 3.28Å; P486-F488 PolarHBondContact O-N 2.93Å; P486-R489 PolarHBondContact O-N 2.92Å
487E74.3Confident68.6Low101 Ų101133 Ų13347%0.47265%0.646SS.*G310 helixtrans-64.9-31.4-179.6-4775.3-162.800112.1P485P485-E487 WeakPolarHBondContact CB-OE2 3.06Å; P485-E487 PolarHBondContact O-N 3.29Å
488F71.7Confident67.8Low113 Ų113129.3 Ų129.350%0.49664%0.644SS.*G310 helixtrans-93.9-8.7-178.5-63.9-95.5000113.1P485 P486 Q490 L491P485-F488 HydrophobicContact CB-CD2 4.01Å; P485-F488 HydrophobicContact CG-CD2 4.16Å; P485-F488 PolarHBondContact O-N 3.42Å; P486-F488 VanDerWaalsContact C-N 3.28Å; P486-F488 PolarHBondContact O-N 2.93Å; F488-Q490 PolarHBondContact O-N 2.95Å; F488-L491 HydrophobicContact CD1-CD1 3.74Å; F488-L491 HydrophobicContact CE1-CD1 4.3Å; F488-L491 HydrophobicContact CG-CD1 4.47Å; F488-L491 PolarHBondContact O-N 2.92Å
489R67.3Low66.9Low164 Ų164131.9 Ų131.962%0.61966%0.664SS**THydrogen-bonded Turntrans-66.2-27.1177.6-66.8-178.3-176.4-171.30.2113.2S484 P485 P486S484-R489 PolarHBondContact O-NE 2.92Å; S484-R489 VanDerWaalsContact O-NE 3.13Å; P485-R489 PolarHBondContact O-N 3.16Å; P486-R489 PolarHBondContact O-N 2.92Å
490Q69.6Low66Low177 Ų177137.6 Ų137.683%0.82768%0.675SS**THydrogen-bonded Turntrans-79.5-22.4176.6-60.5-175.8300112.8F488 R492F488-Q490 PolarHBondContact O-N 2.95Å; Q490-R492 PolarHBondContact O-N 2.82Å; Q490-R492 VanDerWaalsContact O-N 3.11Å
491L68Low64.8Low110 Ų110133.5 Ų133.558%0.57667%0.673SS**SBendtrans-75.7104176.6-62.6176.1000108.1F488F488-L491 HydrophobicContact CD1-CD1 3.74Å; F488-L491 HydrophobicContact CE1-CD1 4.3Å; F488-L491 HydrophobicContact CG-CD1 4.47Å; F488-L491 PolarHBondContact O-N 2.92Å
492R67.1Low64.1Low225 Ų225131.2 Ų131.285%0.84968%0.678SS**  trans-44.9133.4173.5-63.9-175-171.5178.43.5108.5Q490 I494Q490-R492 PolarHBondContact O-N 2.82Å; Q490-R492 VanDerWaalsContact O-N 3.11Å; R492-I494 PolarHBondContact O-N 3.32Å
493P64.6Low63.1Low124 Ų124132.4 Ų132.481%0.80569%0.69SS**  trans-52.3112.2178.1-26.634.1000109.3K495P493-K495 PolarHBondContact O-N 3.32Å
494I62.3Low61.8Low156 Ų156135 Ų13580%0.870%0.699SS**  trans-67.494.7175.9-58.2175.5000105R492 R496R492-I494 PolarHBondContact O-N 3.32Å; I494-R496 PolarHBondContact O-N 3.42Å
495K56.5Low60.7Low187 Ų187140.5 Ų140.581%0.81372%0.718SS**  trans-51.7112165.5-79.3-172.8175.8-177.50105P493 V497P493-K495 PolarHBondContact O-N 3.32Å; K495-V497 PolarHBondContact O-N 3.28Å
496R58.4Low59.3Low240 Ų240147.9 Ų147.991%0.90674%0.737SS**  trans-67.284.8174.9-68.3-177-179.8-176.80.1106.8I494 A498I494-R496 PolarHBondContact O-N 3.42Å; R496-A498 PolarHBondContact O-N 3.11Å
497V51.2Low58Low133 Ų133151.1 Ų151.181%0.80675%0.748SS**  trans-64.897.9161.5-177.60000104.1K495K495-V497 PolarHBondContact O-N 3.28Å
498A53.2Low56.6Low75 Ų75152.4 Ų152.462%0.6276%0.762SS**PPolyproline II helixtrans-55136171.500000107.3R496 K500R496-A498 PolarHBondContact O-N 3.11Å; A498-K500 PolarHBondContact O-N 2.78Å; A498-K500 VanDerWaalsContact O-N 3.16Å
499P50.8Low55.2Low123 Ų123151.3 Ų151.380%0.79977%0.769SS**PPolyproline II helixtrans-56.5126.6178.823.8-32.7000108.3
500K52.2Low54.2Low198 Ų198155 Ų15586%0.86180%0.801SS**PPolyproline II helixtrans-55.7133169.6-97.3-175.8171.8-176.40107.3A498A498-K500 PolarHBondContact O-N 2.78Å; A498-K500 VanDerWaalsContact O-N 3.16Å
501P48.7Very low53.5Low104 Ų104154 Ų15468%0.67580%0.8SS**PPolyproline II helixtrans-59.3149.5172.826.9-33.7000109.2T503P501-T503 PolarHBondContact O-N 3.31Å
502P56.2Low52.7Low118 Ų118156.3 Ų156.377%0.76681%0.812SS**PPolyproline II helixtrans-59.5129175.926.2-33.5000109.1D504P502-D504 PolarHBondContact O-N 3.26Å
503T53.1Low51.9Low124 Ų124152.4 Ų152.476%0.76181%0.81SS**PPolyproline II helixtrans-70.6122.8168.2-440000107.4P501 E505P501-T503 PolarHBondContact O-N 3.31Å; T503-E505 VanDerWaalsContact C-N 3.31Å; T503-E505 PolarHBondContact O-N 2.97Å
504D47.8Very low51.1Low151 Ų151154.1 Ų154.181%0.80781%0.81SS**  trans-66.994.1166.9-78.3-45.1000108.5P502 R506P502-D504 PolarHBondContact O-N 3.26Å; D504-R506 PolarHBondContact O-N 2.98Å
505E51.4Low50.4Low175 Ų175154 Ų15482%0.81881%0.811SS**  trans-69.580.3163.5-72.2-168177.100108.3T503 I507T503-E505 VanDerWaalsContact C-N 3.31Å; T503-E505 PolarHBondContact O-N 2.97Å; E505-I507 PolarHBondContact O-N 3.22Å
506R47Very low50Low221 Ų221151.8 Ų151.883%0.83481%0.811SS**  trans-63.4100.1173.2-171.2-179.1-169.4-173.83.3108D504 T508D504-R506 PolarHBondContact O-N 2.98Å; R506-T508 PolarHBondContact O-N 3.17Å
507I46.7Very low49.4Very low154 Ų154145.5 Ų145.579%0.7980%0.804SS**  trans-53.5104174.1-58.6166.2000108.7E505E505-I507 PolarHBondContact O-N 3.22Å
508T45.3Very low49.3Very low128 Ų128146.5 Ų146.579%0.78580%0.804SS**  trans-95.589.516150.20000107.6R506R506-T508 PolarHBondContact O-N 3.17Å
509S41.9Very low49Very low91 Ų91152.4 Ų152.464%0.63682%0.819SS**  trans-82.5113161.959.60000108.9
510N46.8Very low48.8Very low242 Ų242155.1 Ų155.1100%1.29482%0.821SS**  trans-179.60139.5-89.1-14.5000108.3

Retrieved 510 of 510 residues in 125.8 ms (Link to these results)