A0A087Y548_POEFO Loading...

MN1 proto-onco, transcriptional regulator

AlphaFold DB , UniProt , Accession A0A087Y548, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 1,249 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
1M34.1Very low34.8Very low233 Ų233147.3 Ų147.3100%1.14879%0.788SS**  0145.80-78.3173.6-88.900108.1
2F34.8Very low34.3Very low210 Ų210144.4 Ų144.492%0.92177%0.773SS**  trans-28.3156.1180-44.4-87.9000118.6
3G37Very low33.8Very low68 Ų68135.2 Ų135.270%0.70173%0.726SS**  cis143.2124.1-8.200000115.4
4L47.7Very low33.6Very low153 Ų153141.1 Ų141.180%0.80173%0.733SS**  trans60.9135.1154.5-68.9165.8000122.2
5E43.8Very low33.1Very low151 Ų151140.6 Ų140.671%0.70673%0.732SS**  trans69.6160.2134.7-74.3-174.3131.300120.6
6Q35.4Very low33.8Very low125 Ų125139.6 Ų139.658%0.58474%0.736SS**  cis-167-177.9-16.5175.3179.2103.900107.7
7F36.7Very low33.4Very low186 Ų186135.9 Ų135.982%0.81674%0.74SS**  trans76.3155.2173.4-56.7-88.5000116.9
8G28.4Very low33.1Very low63 Ų63139 Ų13965%0.64975%0.749SS**  cis144.7119.7-13.800000116
9S30.9Very low33.1Very low115 Ų115137.5 Ų137.580%0.80475%0.75SS**  trans61.3122.5155.6-62.60000121.3
10Q25.9Very low33Very low183 Ų183137.4 Ų137.486%0.85574%0.744SS**  trans65.6-175163.3-57.5-163.2100113.2
11I28Very low32.9Very low133 Ų133140.5 Ų140.568%0.68275%0.745SS**  cis-153.5157.120.1-11.7174.5000113.3
12N28.9Very low32.5Very low113 Ų113135.7 Ų135.760%0.60472%0.724SS**  trans32.9119.9146.7-96.7-43.9000121.2
13S28.1Very low32.3Very low24 Ų24132.9 Ų132.917%0.16872%0.717CS.*  trans-40.9139.7135.2430000114.6N743S13-N743 WeakPolarHBondContact CB-O 3.03Å; S13-N743 WeakPolarHBondContact OG-CB 3.24Å; S13-N743 PolarHBondContact OG-ND2 3.42Å; S13-N743 PolarHBondContact OG-O 3.29Å
14R30.7Very low31.8Very low219 Ų219136.6 Ų136.683%0.82672%0.721SS**  trans-142.1145.9165.3-78.8-177.7167.5177.4-3.9110.3
15N25.7Very low31.2Very low133 Ų133137.5 Ų137.571%0.71172%0.721SS**  trans-144.4159.5154.1-1242.9000107.6
16P44.6Very low30.5Very low124 Ų124139.4 Ų139.481%0.80573%0.73SS**  trans-115.8162.3-130.31112.9000114.7
17G26.6Very low30.1Very low78 Ų78140.5 Ų140.580%0.80473%0.729SS**  trans-146.2134.4169.200000110.1
18Q28.2Very low29.9Very low191 Ų191135.7 Ų135.789%0.89371%0.711SS**  trans-75.9139.3-169.3-63.8174.2-3600114
19S32.8Very low29.8Very low111 Ų111136.8 Ų136.878%0.77670%0.702SS**  175.8110.7126.929.70000107.9
20E31.4Very low29.8Very low135 Ų135138 Ų13863%0.63170%0.697SS**  70.8102.877.7-71.5-102.275.400113.3
21R31.8Very low30.9Very low202 Ų202133.5 Ų133.576%0.76270%0.7SS**  trans51146.7134.1-72.6-170.8-89.3-176.5-2.6120.1
22N24.9Very low31.5Very low132 Ų132130.2 Ų130.271%0.70669%0.688SS**  cis-175-157.5-13.7-163.5-38.8000104.3
23I30.1Very low32Very low152 Ų152131.4 Ų131.478%0.77969%0.69SS**  trans75.1100.3168.8-48.8169.7000112.6
24N27.8Very low32.1Very low145 Ų145138.4 Ų138.478%0.77571%0.714SS**  80.6150.768.8-97.2-65.9000116.7
25Q34.3Very low32.1Very low173 Ų173136 Ų13681%0.80871%0.709SS**  trans-90.8146.9-165.7-48.5170.324.100113.4
26Q30.1Very low32Very low191 Ų191133.5 Ų133.589%0.89370%0.702SS**  trans-156.6115.4144.1-100.9155.920.500105.4
27R25.7Very low32.2Very low147 Ų147132.6 Ų132.656%0.55570%0.697SS**  cis75.3129.447.1-156.4-146.1-118.8-59.12.9111.7
28L33.9Very low32.2Very low85 Ų85132 Ų13245%0.44569%0.691SS.*  trans74.2150.5-170.7-40.5-175.6000110.5Y34L28-Y34 HydrophobicContact CD1-CD1 4.05Å; L28-Y34 HydrophobicContact CD1-CE1 4.24Å; L28-Y34 HydrophobicContact CD1-CG 4.31Å
29N25.6Very low32.3Very low86 Ų86132.9 Ų132.946%0.4669%0.692SS.*  cis-156.2176.820.6-157.6-11.5000111.7H33 Y34N29-H33 WeakPolarHBondContact ND2-CA 3.02Å; N29-H33 PolarHBondContact ND2-N 3.45Å; N29-H33 WeakPolarHBondContact OD1-CA 3.42Å; N29-H33 PolarHBondContact OD1-N 3.47Å; N29-Y34 PolarHBondContact ND2-N 3.35Å; N29-Y34 PolarHBondContact OD1-N 3.18Å
30M30.8Very low32.3Very low142 Ų142136.1 Ų136.170%0.769%0.694SS**SBendtrans-62.1-176.9160.2-55.4-158.5-59.100111.2S32M30-S32 WeakPolarHBondContact CE-O 3.42Å; M30-S32 PolarHBondContact O-N 3.46Å
31G49.3Very low32.2Very low88 Ų88134.8 Ų134.891%0.90771%0.706SS**SBendtrans-56.778.7141.500000110.5
32S40.4Very low32Very low63 Ų63129.1 Ų129.144%0.44171%0.711SS.*SBendtrans72.1130.5-175.6-133.80000118.6M30M30-S32 WeakPolarHBondContact CE-O 3.42Å; M30-S32 PolarHBondContact O-N 3.46Å
33H39.4Very low32.1Very low138 Ų138126.4 Ų126.464%0.63971%0.714SS**  trans79.189.6163.3-45.4-62.1000124.6N29N29-H33 WeakPolarHBondContact ND2-CA 3.02Å; N29-H33 PolarHBondContact ND2-N 3.45Å; N29-H33 WeakPolarHBondContact OD1-CA 3.42Å; N29-H33 PolarHBondContact OD1-N 3.47Å
34Y31Very low33.2Very low171 Ų171125.2 Ų125.267%0.67172%0.716SS**  trans63136.4142-89.1-99000125.1L28 N29L28-Y34 HydrophobicContact CD1-CD1 4.05Å; L28-Y34 HydrophobicContact CD1-CE1 4.24Å; L28-Y34 HydrophobicContact CD1-CG 4.31Å; N29-Y34 PolarHBondContact ND2-N 3.35Å; N29-Y34 PolarHBondContact OD1-N 3.18Å
35K29.1Very low34Very low169 Ų169124.3 Ų124.374%0.73572%0.718SS**  trans61.2165.8164.9-72.6174.3179.8177.30116.3
36S23.6Very low33.7Very low81 Ų81119.6 Ų119.657%0.56672%0.716SS**  cis-165.7173.7-34.9-97.30000108
37P49.1Very low33.8Very low105 Ų105114.7 Ų114.768%0.68271%0.708SS**  trans-109.4167.7-15340.6-31.1000116.5
38G27.8Very low34.1Very low66 Ų66113.9 Ų113.968%0.6872%0.719SS**  trans179.6103.2163.800000120
39F29.4Very low34Very low208 Ų208118 Ų11891%0.91274%0.736SS**  trans64.7173.7140-79.4-88.9000123.6
40H32.6Very low34.3Very low180 Ų180118.1 Ų118.183%0.83374%0.744SS**  trans-105.9145-157.8-63-113.9000115.3
41A28.6Very low34.4Very low107 Ų107115.7 Ų115.788%0.88475%0.746SS**  trans-172.6157.3139.700000107.9
42G28.1Very low33.6Very low83 Ų83120.4 Ų120.486%0.85675%0.747SS**  cis144.4113.9-4.500000111.2
43G27.6Very low33.2Very low75 Ų75120.7 Ų120.777%0.77376%0.76SS**  trans130.2138.3172.900000116.3
44P52.2Low33.7Very low127 Ų127119.4 Ų119.483%0.82576%0.764SS**  trans-96-160.6164.943.8-37000109.5
45P45.6Very low33.7Very low125 Ų125119.8 Ų119.881%0.81277%0.774SS**  cis-139.4-170.3-1.144.5-26.2000116.1
46G28.2Very low33.9Very low75 Ų75118.3 Ų118.377%0.77377%0.774SS**  trans86.5174.5160.700000115.9
47A31.7Very low34.2Very low87 Ų87122.6 Ų122.672%0.71979%0.785SS**  cis-175.9178.7-21.800000107.3
48V33Very low33.2Very low130 Ų130119.5 Ų119.579%0.78877%0.766SS**  trans60.7132.8175.1-66.50000116.1
49E30.1Very low33.6Very low171 Ų171122.3 Ų122.380%0.79976%0.761SS**  65144.159.8-72.3-143.586.500114.4
50S33.6Very low33.9Very low89 Ų89118.1 Ų118.162%0.62275%0.746SS**  cis-168147.2-16.2-101.80000109.5
51A31.6Very low34.4Very low91 Ų91114.8 Ų114.875%0.75273%0.734SS**  trans52.6140.4159.900000121.2
52M32.2Very low34.8Very low188 Ų188112 Ų11293%0.92672%0.715SS**  171.9153.6109.3-87.9-171.4-155.500111.6
53G32.5Very low35.7Very low69 Ų69115.8 Ų115.871%0.71172%0.715SS**  trans-92.2-141.5159.600000110.2
54P49.2Very low36Very low110 Ų110117.2 Ų117.271%0.71471%0.705SS**  cis-137.4-160.2-134.1-10.4000113.2
55M31.4Very low35.2Very low179 Ų179117.9 Ų117.988%0.88270%0.699SS**  trans72150.8170.4-46.8-173.3-166.200114.7
56N33.3Very low34.6Very low139 Ų139115.3 Ų115.374%0.74368%0.678SS**  cis-143.1138.423.4-170.614.6000112
57E30.6Very low34.8Very low170 Ų170117 Ų11779%0.79467%0.667SS**  trans-84.7162174.7-80-171.886.700112.2
58S28.2Very low34.7Very low40 Ų40118.4 Ų118.428%0.2866%0.663SS.*  trans172.6101.9142.5-900000113.8T830 G831 N832S58-T830 CarbonylContact O-C 2.8Å; S58-G831 PolarHBondContact O-N 3.45Å; S58-N832 VanDerWaalsContact C-N 3.31Å; S58-N832 PolarHBondContact O-N 3.09Å; S58-N832 VanDerWaalsContact OG-CB 3.32Å; S58-N832 WeakPolarHBondContact OG-CB 3.46Å; S58-N832 VanDerWaalsContact OG-CG 3.3Å; S58-N832 PolarHBondContact OG-ND2 3.28Å
59Q35.8Very low34.7Very low125 Ų125114.8 Ų114.858%0.58465%0.652SS**SBend-177116129.9-155.1131.946.300114.8G831 N832Q59-G831 PolarHBondContact NE2-O 2.97Å; Q59-N832 VanDerWaalsContact CA-CA 3.47Å; Q59-N832 VanDerWaalsContact CA-N 3.31Å; Q59-N832 PolarHBondContact NE2-O 3.47Å
60M35.8Very low35Very low120 Ų120115.1 Ų115.159%0.59165%0.653SS**  trans62.764.8156.3-68.9168.4-169.700121S833M60-S833 WeakPolarHBondContact CE-O 3.44Å; M60-S833 WeakPolarHBondContact CG-O 3.44Å
61L42.8Very low35.5Very low110 Ų110115.1 Ų115.158%0.57665%0.651SS**  trans4.6127.8135.9-80.2162.6000120.9N834L61-N834 HydrophobicContact CD1-CB 4.49Å; L61-N834 WeakPolarHBondContact CD1-OD1 3.06Å
62G36.5Very low35.2Very low48 Ų48121.3 Ų121.350%0.49566%0.657SS.*  125101.7115.100000120.1K836G62-K836 VanDerWaalsContact O-CG 3.27Å; G62-K836 WeakPolarHBondContact O-CG 3.02Å
63L47.8Very low35Very low164 Ų164116.8 Ų116.886%0.85965%0.649SS**  trans-68.2119.7173.1-61158.9000115.1K836L63-K836 WeakPolarHBondContact O-CE 3.28Å; L63-K836 PolarHBondContact O-NZ 3.47Å
64N33.5Very low35.1Very low105 Ų105116.8 Ų116.856%0.56165%0.65SS**  trans-162.6149.9143.2-149.81.8000115.7K836N64-K836 HydrophobicContact CB-CD 4.07Å
65M35.1Very low34.2Very low141 Ų141121.3 Ų121.370%0.69566%0.658SS**  trans-62.8161.6170-44.2167.1-70.800113.2
66N32.7Very low34.2Very low70 Ų70121.1 Ų121.137%0.37466%0.655SS.*  -167.1-110.9117.5-164.717.1000112.4V838 S839 Q840N66-V838 HydrophobicContact CB-CB 3.85Å; N66-V838 HydrophobicContact CB-CG1 3.78Å; N66-V838 HydrophobicContact CB-CG2 3.46Å; N66-V838 VanDerWaalsContact CB-CG2 3.46Å; N66-S839 VanDerWaalsContact C-CA 3.46Å; N66-S839 CarbonylContact C-O 3.2Å; N66-S839 VanDerWaalsContact C-O 3.28Å; N66-S839 PolarHBondContact N-O 2.65Å; N66-S839 CarbonylContact O-C 3.18Å; N66-Q840 WeakPolarHBondContact O-CA 3.37Å; N66-Q840 WeakPolarHBondContact O-CB 3.45Å; N66-Q840 WeakPolarHBondContact O-CG 3.16Å; N66-Q840 PolarHBondContact O-N 3.42Å
67M32.4Very low34.7Very low110 Ų110120 Ų12054%0.54266%0.655SS.*  trans-114.8152.2-158-70.7-144.1169.900123.1S839 Q840M67-S839 VanDerWaalsContact N-C 3.34Å; M67-Q840 PolarHBondContact O-N 3.01Å
68N31.1Very low35Very low118 Ų118123.2 Ų123.263%0.63166%0.66SS**  trans51.9141.1142.2-69.2-19.7000127.5Q840 S841N68-Q840 PolarHBondContact N-O 3.02Å; N68-S841 VanDerWaalsContact CA-OG 3.26Å; N68-S841 WeakPolarHBondContact CA-OG 3.42Å; N68-S841 PolarHBondContact N-OG 3.11Å; N68-S841 PolarHBondContact OD1-OG 3.41Å
69G33Very low35Very low54 Ų54124.3 Ų124.356%0.55768%0.678SS**  trans137.5131.514400000114.7
70E35Very low34.8Very low177 Ų177127.3 Ų127.383%0.82769%0.691SS**  cis50.313822.5-86.4-72.8105.100114.2
71P44.1Very low35.6Very low89 Ų89126.4 Ų126.458%0.57869%0.694SS**  cis-147.1-162.87.539.8-16.5000116.4
72Y26.7Very low35Very low221 Ų221127 Ų12787%0.86770%0.698SS**  trans82.7150.1141.1-109.5-91.6000124.3
73A27.8Very low34.9Very low93 Ų93131.6 Ų131.677%0.76971%0.708SS**  trans68.4134.1159.300000119.8
74G33.2Very low34.4Very low70 Ų70130.8 Ų130.872%0.72270%0.7SS**  trans-176.3-20.317800000120
75F30.9Very low34.4Very low205 Ų205131.6 Ų131.690%0.89971%0.709SS**  trans65.5137172.5-79.2-91000120.9
76H32.8Very low34.2Very low174 Ų174128.7 Ų128.781%0.80672%0.715SS**  trans-58.2164.9160.1-68.6-66.2000112.9
77P42.9Very low34.3Very low115 Ų115129.5 Ų129.575%0.74774%0.739SS**  cis-122.1166.226.836.9-20.9000115.3
78R36.2Very low34.4Very low239 Ų239127.7 Ų127.790%0.90275%0.749SS**  cis-147.5179.19.9-125.2157.3-176.7148.1-0.6108
79G29.7Very low34.5Very low63 Ų63129.9 Ų129.965%0.64976%0.76SS**  cis-176.7-155.57.100000111.7
80H31Very low34.5Very low187 Ų187135 Ų13587%0.86677%0.77SS**  trans-157.5173.8179.7-128.3-121.4000107.9
81P52.2Low34.3Very low101 Ų101134.4 Ų134.466%0.65677%0.767SS**  cis-123.2-1469.535.2-10.9000111.7
82D29.8Very low33.8Very low124 Ų124139 Ų13966%0.66378%0.78SS**  cis-154.8-160.57.5-141.5-56.3000112.9
83M34.3Very low34.2Very low144 Ų144136.2 Ų136.271%0.70978%0.776SS**  trans-148175.2-154-169.4170.4166.300116.3
84H37.4Very low34.6Very low147 Ų147138.3 Ų138.368%0.68177%0.769SS**  trans97.2118.7155.1-93.1-68.9000123.5
85T33.8Very low34.7Very low122 Ų122143.7 Ų143.775%0.74878%0.776SS**  trans39.7102.1138-46.40000122.9
86G32.1Very low34.7Very low79 Ų79137.3 Ų137.381%0.81477%0.767SS**  63.3100.6111.400000122.9
87G33.3Very low35.7Very low87 Ų87133.8 Ų133.890%0.89776%0.76SS**  trans113.2134.5139.800000118.2
88G34.4Very low35.1Very low73 Ų73135.3 Ų135.375%0.75376%0.759SS**  trans115.386.1158.200000118.8
89L34.3Very low35.1Very low163 Ų163131.6 Ų131.685%0.85375%0.752SS**  trans54.9125.6142-65.3169.9000122.5
90Q32.2Very low34.9Very low163 Ų163131.8 Ų131.876%0.76275%0.753SS**  trans77.3144.3152.4-65.5-16625.500121.4
91Q31.5Very low34.9Very low163 Ų163131.7 Ų131.776%0.76275%0.751SS**  trans60.7105.3159.8-69.3179.868.300120.2Q93Q91-Q93 PolarHBondContact O-N 3.34Å; Q91-Q93 VanDerWaalsContact O-N 3.08Å
92Q34.3Very low33.8Very low185 Ų185135.6 Ų135.686%0.86476%0.758SS**  32.165.7123-163-177-7.200118.6
93Q34.5Very low33.6Very low164 Ų164135.5 Ų135.577%0.76676%0.758SS**  trans-171.9145.6147.4-108.9176.765.900114.4Q91Q91-Q93 PolarHBondContact O-N 3.34Å; Q91-Q93 VanDerWaalsContact O-N 3.08Å
94Q35.2Very low33.5Very low137 Ų137135.7 Ų135.764%0.6476%0.761SS**  trans58.5123.9148-61.2-167.565.600123.9
95Q36.2Very low33Very low183 Ų183137.3 Ų137.386%0.85577%0.769SS**  trans72.6173.9143.9-57.2-177.364.200120.2
96G31.3Very low33.4Very low70 Ų70136.2 Ų136.272%0.72276%0.764SS**  trans-150.9-152.9-174.600000111.4
97P52.5Low34Very low101 Ų101138.2 Ų138.266%0.65676%0.763SS**  cis-143.3-164.1-9.339.8-16.2000116.5
98M31.9Very low34Very low147 Ų147142.7 Ų142.772%0.72476%0.76SS**  trans80.9128.1153.1-62.5-63.6-8700126.9
99H34.2Very low33.9Very low160 Ų160148.8 Ų148.874%0.74177%0.769SS**  trans47.2149.4138.8-90.6-97000127.8
100G27Very low33.7Very low67 Ų67144.7 Ų144.769%0.69177%0.766SS**  trans-169.2165.8168.300000113.6
101F31Very low33.7Very low185 Ų185145.9 Ų145.981%0.81177%0.771SS**  trans-144.9174.5-164.6-104.8-98.9000116.1
102F29.3Very low34.2Very low184 Ų184144 Ų14481%0.80777%0.773SS**  trans93.799.9154.4-88.7-77.2000123.6
103N26Very low34.2Very low122 Ų122143.3 Ų143.365%0.65277%0.769SS**  22.9127.9127.8-162.638.8000122.3
104N30.2Very low33.9Very low147 Ų147140.3 Ų140.379%0.78677%0.772SS**  -175159.8118.7-94.6-19000112.9
105Q28.3Very low33.9Very low182 Ų182141.6 Ų141.685%0.8578%0.778SS**  trans-100.4166.3179-94.5-103.4-44.600112.2
106P42.2Very low33.8Very low98 Ų98141.6 Ų141.664%0.63678%0.778SS**  trans-96.8178.2-148.138.9-39.5000115.6
107P43.8Very low34.3Very low121 Ų121143.2 Ų143.279%0.78678%0.776SS**  -124.3167.3128.637.6-32.3000114.2
108H33.8Very low33.4Very low181 Ų181147.1 Ų147.184%0.83879%0.785SS**  trans-67.9149.6-173.6-48.4-104.4000115
109Q32.9Very low34Very low201 Ų201145.8 Ų145.894%0.93979%0.787SS**  -176.9152.3125.8-102.1171.124.100112
110G29Very low34Very low77 Ų77146.6 Ų146.679%0.79479%0.791SS**  trans95.7116.4157.300000119
111H32.4Very low34.4Very low189 Ų189151.9 Ų151.988%0.87580%0.798SS**  trans-70.9162.2143.2-72.9-64.4000109
112P42.9Very low34.7Very low122 Ų122149.6 Ų149.679%0.79279%0.789SS**  cis-143.8-166.235.443-22.3000116.6
113H33Very low35.1Very low172 Ų172148.3 Ų148.380%0.79679%0.786SS**  trans-63.6142.7165.4-96.431.3000112.6
114A29.8Very low36.5Very low100 Ų100147.4 Ų147.483%0.82679%0.786SS**  trans-154.3149155.800000109.3
115H33.3Very low36.7Very low165 Ų165149.6 Ų149.676%0.76479%0.791SS**  trans-110.5137.9-174.9-74.5-108.6000112.9
116Q35.2Very low36.9Very low183 Ų183151.4 Ų151.486%0.85580%0.797SS**  trans63.6172.4156.7-79.1-146.44.200116.9
117P42.3Very low36.7Very low104 Ų104150.4 Ų150.468%0.67580%0.804SS**  cis-127-177.9742.7-27.9000116
118H32.1Very low36Very low183 Ų183148.8 Ų148.885%0.84781%0.809SS**  trans-128.6143.5160.1-87.25000110.5
119P46.3Very low35.9Very low118 Ų118146.2 Ų146.277%0.76680%0.802SS**  trans-98.1156.5-163.137.3-36.9000115.7
120H33.7Very low35.8Very low178 Ų178146.1 Ų146.182%0.82480%0.799SS**  trans-104.1154.4155.2-71.1-84.2000109.8
121Q35.4Very low35.8Very low177 Ų177146.1 Ų146.183%0.82780%0.798SS**  trans-145.2154.1170.5-94.3-61.12.400113.6
122H36.9Very low35.8Very low138 Ų138140.7 Ų140.764%0.63979%0.794SS**  trans-140.9173.5-169.5-84.1-119.4000109.5
123H37.2Very low36Very low157 Ų157141 Ų14173%0.72780%0.796SS**  cis-134.3-121.43.7-143.9-38.1000110.2
124P56.4Low36.2Very low102 Ų102140.2 Ų140.266%0.66280%0.798SS**  cis-134.4172.8-12.143.5-26.3000116.4
125H32.9Very low37Very low194 Ų194141.7 Ų141.790%0.89880%0.799SS**  trans-142.4153.9152.8-88.8-75.6000110
126F34.4Very low37Very low219 Ų219137.5 Ų137.596%0.96180%0.801SS**  trans-90.2164.7-179.4-116.5-109.1000111.8
127G37.4Very low36.7Very low77 Ų77134.1 Ų134.179%0.79480%0.797SS**  trans-140.3171.3-18000000114.7
128G29.5Very low36Very low87 Ų87134.6 Ų134.690%0.89780%0.803SS**  trans-175.3136.7-17900000114.6
129N31.1Very low35.9Very low128 Ų128131.3 Ų131.368%0.68480%0.799SS**  trans-92.6178.1-157-161.773.6000116.2
130F30.5Very low35.5Very low199 Ų199132.9 Ų132.987%0.87380%0.8SS**  trans75.7149171.1-51.8-80.7000117.5
131G29Very low35.5Very low76 Ų76133.2 Ų133.278%0.78480%0.802SS**  cis-173.2167.2-3.700000112.3
132G31.6Very low35.3Very low76 Ų76128.5 Ų128.578%0.78480%0.801SS**  trans-82.9-166-176.700000115.8
133P47.2Very low35.1Very low129 Ų129125.5 Ų125.584%0.83881%0.807SS**  cis-141.5170.627.743.1-25.3000118.8
134D37.4Very low34.8Very low155 Ų155129.3 Ų129.383%0.82982%0.815SS**  trans-86.1166.7164.1-65-83.4000113.1
135P48.1Very low33.9Very low130 Ų130132.3 Ų132.384%0.84483%0.825SS**  -155.5127.9102.836.2-15.9000118.9
136G31.8Very low33.8Very low78 Ų78131.5 Ų131.580%0.80482%0.824SS**  trans80155.3142.500000120
137S30.2Very low33.5Very low112 Ų112123.4 Ų123.478%0.78380%0.802SS**  cis-165.2169-7.264.70000113
138S27.9Very low33.2Very low113 Ų113130 Ų13079%0.7980%0.804SS**  trans66.1128.9179.472.50000116.2
139C29.8Very low33.3Very low114 Ų114131.5 Ų131.577%0.7779%0.792SS**  cis-131.6149.223.6-77.40000115.1
140L36.5Very low33.2Very low151 Ų151129.6 Ų129.679%0.79179%0.788SS**  trans33.3126.1149.9-61.1172.1000121.9
141H34.1Very low33.3Very low185 Ų185128 Ų12886%0.85679%0.789SS**  trans15.4129.1141.7-55.690.8000119.6
142G31.3Very low33.8Very low78 Ų78127.3 Ų127.380%0.80478%0.782SS**  cis172.7137.7-1.800000111.7
143G32.8Very low34.2Very low75 Ų75132.7 Ų132.777%0.77379%0.789SS**  trans-95.5136.1-179.100000113
144R31.5Very low33.9Very low237 Ų237129.9 Ų129.989%0.89478%0.783SS**SBendtrans61.2121.7165.1-55.8179.8-174.2-114.40.2117.5
145L36Very low34.5Very low165 Ų165125.5 Ų125.586%0.86476%0.764SS**  trans54.987.4143.4-63.8166.4000117.9
146M32Very low34Very low178 Ų178125.9 Ų125.988%0.87775%0.754SS**  trans-148141135.7-144.661177.100108
147G28.5Very low34.1Very low49 Ų49130.2 Ų130.251%0.50575%0.753SS.*  cis125.750.15.800000112.3
148Y31.1Very low34.6Very low215 Ų215128.1 Ų128.184%0.84375%0.75SS**  trans-125.8130.6165.1-82.2-90.4000108.8
149N30.5Very low35Very low119 Ų119132.8 Ų132.864%0.63676%0.756SS**  cis-145.4147.7-13.4-158.4-105.1000111.8
150S29.9Very low35.2Very low87 Ų87130.4 Ų130.461%0.60875%0.751SS**  trans-28.3129.4161.1-44.20000115.1
151N32.9Very low35Very low165 Ų165133.1 Ų133.188%0.88276%0.76SS**  trans173.6114.8133.1-86.9-19.8000108.8
152G38.8Very low35.1Very low63 Ų63128.1 Ų128.165%0.64976%0.758SS**  cis178.3-176.8-6.500000112.3
153M40.2Very low35.2Very low188 Ų188134.9 Ų134.993%0.92677%0.766SS**  trans40.1120.7149.8-78.950.8178.500118.8
154G40.4Very low35.2Very low70 Ų70138.2 Ų138.272%0.72277%0.766SS**  cis175.9-127.610.200000110.8
155P49.9Very low35.8Very low64 Ų64131.8 Ų131.842%0.41676%0.755SS.*  cis-143.1106.12.938.4-16.4000115.9R597P155-R597 HydrophobicContact CB-CB 4.17Å; P155-R597 PolarHBondContact O-NE 3.48Å; P155-R597 PolarHBondContact O-NH2 3.37Å
156Q37.9Very low35.8Very low137 Ų137128.5 Ų128.564%0.6474%0.738SS**  trans60.2120.5154.7-103.4-168.4-10.100120.1G158 R597Q156-G158 PolarHBondContact O-N 2.71Å; Q156-R597 PolarHBondContact O-NH2 2.83Å
157Q33Very low35.8Very low169 Ų169122.8 Ų122.879%0.7972%0.718SS**  41.874.5119.2-69.6-86.5-2400116.2
158G41.8Very low35.9Very low69 Ų69127.4 Ų127.471%0.71173%0.727SS**  trans-109.9152.3142.800000108.4Q156Q156-G158 PolarHBondContact O-N 2.71Å
159F35.3Very low36.1Very low210 Ų210118.8 Ų118.892%0.92170%0.703SS**  trans-82.3127.3176.1-81.6-108.1000110.5
160G35.9Very low36Very low64 Ų64118.9 Ų118.966%0.6670%0.7SS**SBendtrans96.9137.6165.800000116
161E31.7Very low36.3Very low209 Ų209119.4 Ų119.498%0.97771%0.71SS**  trans40.7120.9138.2-54.9175.9143.700119.6
162G36.1Very low36.3Very low79 Ų79114.8 Ų114.881%0.81470%0.7SS**  trans169.7142.7165.600000115.5
163F33.1Very low35.9Very low221 Ų221121.6 Ų121.697%0.96972%0.716SS**  trans-85.9163.3174.8-95.7-112.8000112.6
164D32.8Very low35.5Very low144 Ų144116.2 Ų116.277%0.7771%0.708SS**  trans-115.7162161.8-156.527.6000106.2
165P43.2Very low35.1Very low103 Ų103122.6 Ų122.667%0.66972%0.717SS**  cis-133.7-178.1-1.543.9-28.3000115
166L36.3Very low34.8Very low96 Ų96124.3 Ų124.350%0.50373%0.728SS.*  trans-73.4128.4154-71.9162.1000109.1G592L166-G592 VanDerWaalsContact CD1-C 3.43Å; L166-G592 VanDerWaalsContact CD1-O 3.23Å; L166-G592 WeakPolarHBondContact CD1-O 3.42Å; L166-G592 WeakPolarHBondContact CD2-O 3.36Å
167A32.5Very low34.5Very low57 Ų57124.7 Ų124.747%0.47173%0.729SS.*  72.185.565.700000112.9
168E31.6Very low34.4Very low147 Ų147123.4 Ų123.469%0.68772%0.723SS**  trans-138.590.2159-163.268.1-17300104.5H589E168-H589 VanDerWaalsContact C-ND1 3.25Å; E168-H589 VanDerWaalsContact CD-CB 3.42Å; E168-H589 VanDerWaalsContact CD-CD2 3.49Å; E168-H589 VanDerWaalsContact CD-CG 3.48Å; E168-H589 HydrophobicContact CG-CB 3.97Å; E168-H589 WeakPolarHBondContact OE1-CB 3.47Å; E168-H589 IonicContact OE1-CD2 2.96Å; E168-H589 PolarHBondContact OE1-CD2 3.42Å; E168-H589 IonicContact OE1-CG 2.68Å; E168-H589 IonicContact OE1-NE2 3.2Å
169G34.1Very low34Very low33 Ų33127.6 Ų127.634%0.3472%0.724SS.*  trans-101.9-148.8-148.500000119.2S588 H589G169-S588 CarbonylContact C-O 3.39Å; G169-H589 PolarHBondContact N-ND1 2.95Å; G169-H589 PolarHBondContact O-CE1 3.06Å; G169-H589 VanDerWaalsContact O-CE1 3.28Å; G169-H589 PolarHBondContact O-ND1 3.47Å
170Q28.9Very low34.4Very low121 Ų121122.5 Ų122.557%0.56571%0.713SS**  trans51.680.4150.4-119.2178.5-7.500119.7S588Q170-S588 WeakPolarHBondContact CA-O 3.45Å; Q170-S588 WeakPolarHBondContact CB-O 3.2Å; Q170-S588 PolarHBondContact O-N 3.38Å; Q170-S588 PolarHBondContact OE1-OG 3.35Å
171A36.4Very low34.2Very low99 Ų99127.1 Ų127.182%0.81872%0.717SS**  -142.2149.2129.500000108.7
172G32.2Very low34.4Very low67 Ų67124 Ų12469%0.69170%0.702SS**  cis141.5762.500000110.8
173E31.6Very low34.3Very low207 Ų207128 Ų12897%0.96770%0.7SS**  trans65.5172.3176.9-46.9-164142.500116.7
174G31.6Very low34Very low75 Ų75127.7 Ų127.777%0.77369%0.692SS**  trans12032164.900000120.7
175F31Very low34.4Very low204 Ų204126.6 Ų126.690%0.89569%0.693SS**  trans-57.5162.3159.5-81.6-87.1000111.5
176P43.6Very low33.7Very low100 Ų100125.7 Ų125.765%0.64969%0.694SS**  cis-144178.422.944-25.3000118.3
177Q31.8Very low33.3Very low145 Ų145128.3 Ų128.368%0.67871%0.708SS**  trans62.6120.4145.9-79.2-174.4-69.500120.6
178Q31Very low33.4Very low142 Ų142132.1 Ų132.166%0.66472%0.719SS**  67.3138.486.3-68.2171.68.800112.8
179Q33.2Very low34.1Very low156 Ų156130.2 Ų130.273%0.72972%0.72SS**  cis-168.3-163.816.4-120.6161.819.900107
180P44.3Very low33.6Very low104 Ų104137.2 Ų137.268%0.67574%0.744SS**  -91.1168.1-65.313.410.4000110.4
181Q32.1Very low33.6Very low161 Ų161139.6 Ų139.675%0.75275%0.753SS**  62.8124.258.5-143.8174.2-500111.4
182Q35.3Very low33.2Very low142 Ų142141.3 Ų141.366%0.66474%0.743SS**  cis-139.8-148.50.4-133.117023.800107.4
183Q33.4Very low33.1Very low164 Ų164144.4 Ų144.477%0.76674%0.74SS**  cis-155.4174.28.8-143.3158.255.500111.4
184R27.7Very low33Very low215 Ų215143.1 Ų143.181%0.81173%0.733SS**  trans-136.6168.4165.5-129.9-167.8166.9167.6-6105.3
185P41.4Very low32.7Very low121 Ų121142.7 Ų142.779%0.78673%0.729SS**  cis-143.4170.747.738.5-18.3000116.2
186A28.6Very low33.3Very low83 Ų83139 Ų13969%0.68673%0.725SS**  trans-135.8139.9150.900000106.5
187N28Very low33.2Very low151 Ų151139.7 Ų139.781%0.80773%0.73SS**  trans-119.5115.6-174.6-147.659.5000111.7
188I33.6Very low33.1Very low137 Ų137138.3 Ų138.370%0.70374%0.736SS**  trans-29172.4153.353.3165.5000117
189P45.4Very low32.9Very low107 Ų107134.9 Ų134.970%0.69574%0.739SS**  cis-139.8178.6-42.939.5-23.8000112.9
190E25.3Very low32.7Very low180 Ų180135.3 Ų135.384%0.84175%0.746SS**  trans-150.3157.9158.6-158.789.9-113.900112.1
191F27.4Very low32.2Very low172 Ų172139.3 Ų139.375%0.75476%0.756SS**  trans-77.6173.9-176.1-72-96.9000113.8
192Q28.9Very low32.7Very low134 Ų134137.3 Ų137.363%0.62676%0.757SS**  cis176.7153.6-25.8-179.694.5-1.300108.9
193H30Very low32.9Very low133 Ų133136.5 Ų136.562%0.61676%0.761SS**  trans71.3120.1159-71.1-48.2000123
194H29.2Very low33.4Very low179 Ų179134.9 Ų134.983%0.82977%0.765SS**  trans58147.1138-51.5-48.7000121.6
195G26.3Very low33.7Very low67 Ų67128.2 Ų128.269%0.69176%0.756SS**  cis-158.8-167.87.100000114.3
196P42.4Very low33.8Very low125 Ų125128.6 Ų128.681%0.81276%0.758SS**  trans-100.2169.2-16441.7-38.5000114.7
197P41.3Very low34.1Very low115 Ų115130.6 Ų130.675%0.74777%0.766SS**  -148.1155.991.739.3-22.8000117.7
198S29.5Very low34.8Very low116 Ų116131.1 Ų131.181%0.81177%0.768SS**  trans48.1123.2150.460.20000122.4
199G28.6Very low35.5Very low70 Ų70130.6 Ų130.672%0.72277%0.774SS**  trans172.465.5164.400000120.4
200N28.5Very low35Very low165 Ų165132.7 Ų132.788%0.88278%0.778SS**  trans69.7142.9156.3-56.7-33.1000122.4
201H33.1Very low35.5Very low188 Ų188131.8 Ų131.887%0.8778%0.779SS**  trans-99.5-179.9162.6-65.2-98.7000109.6
202P42Very low35.8Very low120 Ų120130.9 Ų130.978%0.77978%0.777SS**  cis-126.1-174.4-6.429.9-7.8000114.3
203V40.2Very low36Very low124 Ų124129.7 Ų129.775%0.75278%0.784SS**  trans-105.1154.9176.5172.60000109.9A205V203-A205 HydrophobicContact CG1-CB 4.1Å
204P43.4Very low36.9Very low130 Ų130129.5 Ų129.584%0.84479%0.794SS**  -127.7136.8127.335.9-29.9000112
205A34Very low37.3Very low75 Ų75128 Ų12862%0.6279%0.792SS**  trans-111.5138.1179.700000110.6V203V203-A205 HydrophobicContact CG1-CB 4.1Å
206P43.7Very low37.8Very low129 Ų129135.8 Ų135.884%0.83880%0.801SS**PPolyproline II helixtrans-70.5137.816530.7-32.4000109.7
207C36.3Very low37.4Very low125 Ų125134.7 Ų134.785%0.84580%0.802SS**PPolyproline II helixtrans-77.6153.8-172.7-660000113.3
208L41.7Very low36.9Very low163 Ų163133.6 Ų133.685%0.85380%0.803SS**PPolyproline II helixtrans-74.6134.7170.1-65.5168.9000110.7
209P48.8Very low36.9Very low126 Ų126133.6 Ų133.682%0.81880%0.803SS**PPolyproline II helixtrans-75.3123.5158.330.6-30.3000109.7D211P209-D211 PolarHBondContact O-N 2.88Å
210L34.9Very low37Very low151 Ų151138.8 Ų138.879%0.79181%0.806SS**  trans-81.7108.6169.5-82.1153.9000109.3Q212L210-Q212 PolarHBondContact O-N 3.42Å
211D36.4Very low37.4Very low160 Ų160140 Ų14086%0.85681%0.806SS**  trans-79.795.5169-171.512000109.4P209P209-D211 PolarHBondContact O-N 2.88Å
212Q33.3Very low37.4Very low154 Ų154134.7 Ų134.772%0.7280%0.802SS**PPolyproline II helixtrans-90.4117.9174.5-70.4-168.812.400110.3L210 P214L210-Q212 PolarHBondContact O-N 3.42Å; Q212-P214 VanDerWaalsContact O-CD 3.25Å; Q212-P214 WeakPolarHBondContact O-CD 3.28Å
213S32Very low37Very low109 Ų109136.7 Ų136.776%0.76281%0.805SS**PPolyproline II helixtrans-61.7119.3175.356.40000112.5
214P50.1Low37Very low128 Ų128136.8 Ų136.883%0.83181%0.808SS**PPolyproline II helixtrans-80.5129.7170.1-7.726.1000109.9Q212Q212-P214 VanDerWaalsContact O-CD 3.25Å; Q212-P214 WeakPolarHBondContact O-CD 3.28Å
215N36.2Very low36.3Very low149 Ų149135.4 Ų135.480%0.79780%0.802SS**  trans-146.5115.6174.3-149.4-15.7000111.7
216R36.4Very low36Very low230 Ų230137.2 Ų137.287%0.86881%0.81SS**  trans62.3120.8174.8-79.1-177.4164.7169.3-5.2120.1
217A34.3Very low35.2Very low102 Ų102136.3 Ų136.384%0.84381%0.806SS**  trans63.4153.3131.900000119.1
218A31.3Very low34.8Very low91 Ų91135 Ų13575%0.75280%0.799SS**  cis-152.3174.39.900000112.7
219S28.7Very low34.2Very low116 Ų116133.3 Ų133.381%0.81180%0.795SS**  trans71.5140159-150.10000120
220F32.1Very low33.3Very low179 Ų179132.1 Ų132.179%0.78579%0.79SS**  trans-86.2156.6164.2-79.6-107.2000110.8
221H36.4Very low33Very low191 Ų191129.9 Ų129.988%0.88479%0.787SS**  -179.3143.5113.9-95.7-72.5000110.6
222G32.3Very low32.7Very low77 Ų77130.7 Ų130.779%0.79479%0.786SS**  trans88.3100.2161.600000117.7
223L34.8Very low32.9Very low162 Ų162127.9 Ų127.985%0.84878%0.781SS**  trans-94.3168.1159.2-80.7179.7000109.2
224P39.4Very low32.9Very low125 Ų125132.2 Ų132.281%0.81279%0.789SS**  cis-137.317527.242.1-23.5000118.3
225S29.6Very low31.8Very low102 Ų102132.2 Ų132.271%0.71379%0.786SS**  trans-76.5156.5-177-45.40000114.9
226S27.1Very low31.6Very low113 Ų113134 Ų13479%0.7979%0.793SS**  trans-155.1127148.1-82.90000112.3
227S27.7Very low31.4Very low109 Ų109131.4 Ų131.476%0.76279%0.79SS**  trans20149.7131.8-46.40000120.7
228S27.2Very low32Very low99 Ų99130.4 Ų130.469%0.69278%0.775SS**  cis179.5171.9-10.3-96.40000108.8
229T29.5Very low32.1Very low126 Ų126136.1 Ų136.177%0.77378%0.777SS**  trans62.5105.7151.442.50000122.4
230S28.8Very low32.2Very low101 Ų101141.9 Ų141.971%0.70678%0.781SS**  57.6124.6126.863.60000124.4
231S28.7Very low32.1Very low105 Ų105141.1 Ų141.173%0.73478%0.782SS**  trans57.1142.5132.3-57.10000121.5
232E30.2Very low32.3Very low177 Ų177137.5 Ų137.583%0.82778%0.776SS**  cis-156.8-174.1-10.4-116.5-171.16500108.7
233P38.6Very low32Very low95 Ų95140 Ų14062%0.61777%0.77SS**  trans-102150.3-144.839.2-36.7000117.5
234H32.5Very low31.8Very low200 Ų200140.4 Ų140.493%0.92677%0.768SS**  trans-138.3150.8148.3-82.6-57.7000111.1
235T26.4Very low31.3Very low127 Ų127138.1 Ų138.178%0.77977%0.767SS**  trans-102.6143.1-172.136.10000112.9
236M31.6Very low31.3Very low188 Ų188138 Ų13893%0.92677%0.772SS**  trans168.5150.3134.3-87-55.6176.300110.3
237E31.6Very low31.7Very low175 Ų175138.9 Ų138.982%0.81877%0.773SS**  trans-85178.8174-122.1-158.4117.300111.2
238P46.6Very low31.9Very low81 Ų81142.9 Ų142.953%0.52678%0.779SS.*  cis-142.1176.2-7.740.1-21.4000117.7
239R34.3Very low32.2Very low211 Ų211141.4 Ų141.480%0.79678%0.78SS**  trans77.9124.7141.6-105.6-176.9-79.6169.9-6123.7
240R31.8Very low32.4Very low236 Ų236144 Ų14489%0.89179%0.788SS**  trans76.2125.1142.7-88.4-175.5177.5168.8-1122.7
241M29.7Very low32.7Very low164 Ų164146.5 Ų146.581%0.80879%0.788SS**  trans-57.3164.5155.1-73.8-74.8-8300113.2
242P39.3Very low32.7Very low115 Ų115151.6 Ų151.675%0.74779%0.793SS**  cis-147.2164.932.343.2-23.8000120.7
243N27.4Very low32.7Very low128 Ų128148.3 Ų148.368%0.68478%0.781SS**  trans28.7146.4138.9-159.128.8000123.4
244Q30.1Very low32.3Very low172 Ų172151.9 Ų151.980%0.80479%0.787SS**  trans117.1144.3156.7-67.7-72.64.100117.2
245G29.6Very low32.8Very low77 Ų77147.8 Ų147.879%0.79478%0.778SS**  trans101134.315100000117.8
246A28.7Very low33.1Very low99 Ų99145.2 Ų145.282%0.81877%0.766SS**  trans-134.2148.5172.800000111.3
247V36.3Very low33.1Very low132 Ų132144 Ų14480%0.876%0.763SS**  trans178.9130.4144-86.40000105.1
248E31.2Very low33.6Very low193 Ų193141.3 Ų141.390%0.90276%0.761SS**  52.9127.669.9-68.1-172.4135.900113.6
249G33.4Very low33.7Very low68 Ų68143.8 Ų143.870%0.70178%0.777SS**  cis-176.1-173.2-3.800000110.1
250L34.4Very low33.8Very low180 Ų180139.8 Ų139.894%0.94278%0.781SS**  trans-150.9136.9162.5-143.178.5000110.6
251E34.5Very low33.9Very low153 Ų153132.3 Ų132.372%0.71578%0.778SS**  trans-104.5163.1-161.5-56.2160.686.600114
252Y29Very low34Very low212 Ų212133 Ų13383%0.83178%0.779SS**  trans-146.1131.8147.9-90.4-74.3000110.6
253N29.4Very low33.7Very low109 Ų109135.7 Ų135.758%0.58378%0.779SS**  trans-135.9166.7-178.9-69.6-64.5000108.2
254F29.7Very low33.8Very low169 Ų169136.7 Ų136.774%0.74178%0.784SS**  cis-142.5-166.512.1-101.3-50.9000107.8S256F254-S256 WeakPolarHBondContact CD1-OG 3.45Å; F254-S256 WeakPolarHBondContact CE1-OG 3.29Å
255P44.5Very low34.3Very low114 Ų114133.9 Ų133.974%0.7478%0.778SS**  cis-124.1168.71.944.5-29.6000113.6
256S31.3Very low34.9Very low74 Ų74135.4 Ų135.452%0.51777%0.774SS.*  cis80.998.928.4-550000116.1F254F254-S256 WeakPolarHBondContact CD1-OG 3.45Å; F254-S256 WeakPolarHBondContact CE1-OG 3.29Å
257D31.5Very low34.9Very low161 Ų161135.7 Ų135.786%0.86177%0.766SS**  170132.1128.3-90.8-11.3000113.4
258P42.7Very low34.5Very low120 Ų120138.7 Ų138.778%0.77977%0.769SS**  trans-132.9128.7153.835.4-21.3000113.1
259P49.2Very low34.8Very low132 Ų132134.4 Ų134.486%0.85776%0.76SS**  trans-82.5149.7171.733.2-33.6000112.5
260S36.1Very low34.7Very low128 Ų128136 Ų13690%0.89576%0.758SS**  trans-107.2158.9-176.553.80000113
261G34.9Very low34.5Very low79 Ų79133.2 Ų133.281%0.81475%0.753SS**  trans-177.295.3179.400000119.1
262H31.8Very low34.2Very low178 Ų178134.1 Ų134.182%0.82476%0.758SS**  trans81.4153146.6-135.5-85.4000122.7
263F31.5Very low34.3Very low171 Ų171130.4 Ų130.475%0.7576%0.757SS**  trans-94.4152.9-174.3-70.6-111.7000113.2
264D30.6Very low34.3Very low150 Ų150133.8 Ų133.880%0.80277%0.769SS**  -166.6170.397.7-128.7-48000113.9
265V39.2Very low34.5Very low112 Ų112130.4 Ų130.468%0.67977%0.766SS**  trans-156.1156.2-155.4170.40000110.4
266P42.9Very low33.9Very low109 Ų109133.8 Ų133.871%0.70877%0.773SS**  cis-133.2-161.5-0.327.2-0.7000115.8
267V29.4Very low34.1Very low105 Ų105137.6 Ų137.664%0.63679%0.786SS**  trans73.8112.3154.6-138.30000121
268F27.3Very low34.8Very low196 Ų196135.6 Ų135.686%0.8678%0.782SS**  174.4149.2101.8-105.3-75.7000113.7
269S37.3Very low34.3Very low102 Ų102137.5 Ų137.571%0.71378%0.78SS**  trans-81165.3164.7-49.20000111.1
270P31Very low33.4Very low103 Ų103141.5 Ų141.567%0.66979%0.785SS**  -128159.9124.736.7-31.6000113.6
271S30.9Very low33.4Very low121 Ų121138.7 Ų138.785%0.84678%0.776SS**  trans-141.2122.4162.6-65.20000106.3
272E27.3Very low33.8Very low172 Ų172140.7 Ų140.780%0.80477%0.774SS**  trans-145112-179.751.3-161.899.700112.1
273T31.9Very low33.9Very low133 Ų133136.1 Ų136.182%0.81678%0.775SS**  trans-92.6140.115148.40000108.2
274E30.5Very low34.3Very low181 Ų181139.8 Ų139.885%0.84678%0.784SS**  -169.6171.3120.6-160.8138.8121.900110.2
275S33.4Very low34.8Very low97 Ų97138.3 Ų138.368%0.67878%0.783SS**  trans-129.7137.4-175.654.30000112.1
276Q30.3Very low34.6Very low186 Ų186139.1 Ų139.187%0.86979%0.788SS**  trans-169147.3147.2-111.3151.2103.500115.3
277L36.2Very low34.6Very low154 Ų154139.1 Ų139.181%0.80679%0.788SS**  trans-96.5173159.3-77.1165000107.7
278P45.9Very low34.5Very low118 Ų118139.9 Ų139.977%0.76680%0.797SS**  cis-143.1-164.722.842.9-21.5000116.8
279H32Very low34.7Very low161 Ų161133.9 Ų133.975%0.74579%0.791SS**  trans-64.2157.5-179-55.4-85.2000116.3
280F31.9Very low34.5Very low216 Ų216136.1 Ų136.195%0.94780%0.795SS**  -166164.4103.6-95.1-69.4000110.5
281G36Very low34.3Very low69 Ų69140.7 Ų140.771%0.71181%0.805SS**  trans-113.5-155.7177.700000112.4
282P43Very low35.3Very low121 Ų121140.4 Ų140.479%0.78680%0.8SS**  cis-130.3170.5-5.841.2-26.3000114.7
283G34Very low35.4Very low81 Ų81135.8 Ų135.884%0.83580%0.798SS**  trans101161.2161.100000117.7
284R38.9Very low35.4Very low248 Ų248134.7 Ų134.794%0.93680%0.796SS**  trans-87.5157.4171.1-75.6179.2171.5-130.1-1109.5
285P40.7Very low35.6Very low120 Ų120132.2 Ų132.278%0.77980%0.799SS**  cis-138-165.828.241.1-21.1000116
286V35Very low35.5Very low129 Ų129131 Ų13178%0.78280%0.802SS**  trans-63.3165.5166.3-71.20000113
287P43.9Very low35.6Very low109 Ų109131 Ų13171%0.70880%0.804SS**  cis-135.6178-4.537.6-18.6000117.1
288S27.2Very low36.2Very low120 Ų120128.6 Ų128.684%0.83980%0.798SS**  trans66.6141147.460.20000123.7
289G32.1Very low35.5Very low71 Ų71134.5 Ų134.573%0.73281%0.805SS**  trans162.9155.9167.700000115.8
290N32.1Very low35.5Very low149 Ų149133 Ų13380%0.79781%0.808SS**  trans-135.1136.5-168.7-74.627.8000116.5
291F27.9Very low36.1Very low198 Ų198128.9 Ų128.987%0.86880%0.802SS**  trans54.4175.8144.3-83-77.2000121.6
292P51.3Low35.8Very low116 Ų116129.4 Ų129.475%0.75381%0.807SS**  cis-139167.7-22.934.9-15.2000118.5
293G30.1Very low35.3Very low74 Ų74131.6 Ų131.676%0.76381%0.809SS**  trans74.8176.4145.900000121.5
294S31Very low35.3Very low110 Ų110136 Ų13677%0.76981%0.808SS**  cis178.3158.8-30.152.40000113.8
295S35.6Very low35.1Very low129 Ų129127.2 Ų127.290%0.90279%0.794SS**  trans70.3164.6166.377.50000119
296G30.8Very low34.7Very low73 Ų73129.6 Ų129.675%0.75380%0.799SS**  cis-178.1177.30.800000113.8
297M32.2Very low34.9Very low185 Ų185128.6 Ų128.691%0.91180%0.797SS**  trans-102.4-161-179.8-49.614360.900111.4
298P49Very low34.7Very low103 Ų103132.7 Ų132.767%0.66980%0.804SS**  cis-142.2-179.1-16.442.8-23.9000117.9
299R30.9Very low34.9Very low242 Ų242129.8 Ų129.891%0.91379%0.793SS**  trans75.9174.6148.3-79.8173.4-169.7-178.24.8122.7
300T31.7Very low34.9Very low131 Ų131135 Ų13580%0.80480%0.798SS**  trans-128.7-167.3-161.761.60000111.3
301P44.3Very low34.9Very low129 Ų129137 Ų13784%0.83880%0.803SS**  cis-129.8-174-18.241.2-24.2000114.4
302G30Very low36.2Very low79 Ų79132.1 Ų132.181%0.81479%0.791SS**  trans174157.8168.500000115.5
303M31.9Very low35.8Very low167 Ų167132.7 Ų132.782%0.82380%0.795SS**  trans-153.9151-172.4-150.6-158.5172.800115.8
304Q34.2Very low36.6Very low175 Ų175134.9 Ų134.982%0.81880%0.795SS**  trans69149.6166.9-46.8-178.17.600117.1
305G35.4Very low37.1Very low63 Ų63137.3 Ų137.365%0.64980%0.795SS**  cis170.5169.5-900000113.3
306I33Very low37.4Very low170 Ų170137 Ų13787%0.87279%0.79SS**  trans59.1160160.768.2162.9000121
307S37.2Very low37.6Very low107 Ų107140.6 Ų140.675%0.74879%0.787SS**  cis-167.6124.5-31.8-90.20000114.8
308K39.8Very low37.4Very low195 Ų195139.8 Ų139.885%0.84878%0.781SS**  trans56.6137.8136.6-151.9168.6-173.6175.50124.8
309G31.6Very low36.8Very low60 Ų60138.9 Ų138.962%0.61978%0.775SS**  trans-137.3-174.5167.300000113.5
310H33.3Very low36.9Very low180 Ų180136.1 Ų136.183%0.83377%0.773SS**  trans-137.4166.4-160.9-78.592.9000118.3
311Q31.4Very low37Very low191 Ų191138.3 Ų138.389%0.89377%0.773SS**  trans113.5151.8158.4-69.9-153.1-66.700119.6
312P54.9Low37.1Very low95 Ų95134.7 Ų134.762%0.61776%0.759SS**  trans-125.5172.3-14644.7-31.8000116.9
313P44.4Very low37.2Very low129 Ų129137.1 Ų137.184%0.83876%0.758SS**SBend-111166107.4-14.132.1000114.7
314P45.6Very low37Very low119 Ų119136.7 Ų136.777%0.77375%0.752SS**  trans-116.1166.2-14241.3-34.3000118.5
315Q42.7Very low37.1Very low161 Ų161136.3 Ų136.375%0.75275%0.748SS**  trans-60.7155.6174.8-80.5-176.4-26.100115.7
316P41.1Very low36.8Very low123 Ų123138.5 Ų138.580%0.79974%0.741SS**  -93.8128.1104.3-22.935.6000111.3
317Q35.3Very low36.8Very low148 Ų148138.9 Ų138.969%0.69273%0.732SS**  61.6115.760-60.7-171.82.700109.7
318Q27.9Very low36.8Very low169 Ų169142.7 Ų142.779%0.7974%0.735SS**  cis-153.6-174.926.4-81.2-156.8-13.400111.7
319P36.5Very low36.5Very low84 Ų84135.2 Ų135.255%0.54571%0.713SS.*  cis-124.9171.2-36.526.4-5.8000110.5
320Q32.1Very low36.8Very low184 Ų184139.5 Ų139.586%0.8672%0.722SS**  515860.8-65.5-68.1-21.700115.7
321H34.7Very low37.2Very low176 Ų176133.7 Ų133.782%0.81571%0.71SS**  trans-129.6146.7140.8-79.9-90.1000106.1
322G47.1Very low37.7Very low53 Ų53136 Ų13655%0.54671%0.711SS.*  cis116.610435.800000105.3
323V30.9Very low36.9Very low130 Ų130140 Ų14079%0.78872%0.718SS**SBend31.3113.654.2-62.60000113.6
324F28.5Very low36.9Very low159 Ų159142.1 Ų142.170%0.69772%0.72SS**  trans59.3126.8-172.6-48.7-84.4000112.8
325F36Very low36.5Very low166 Ų166141.3 Ų141.373%0.72871%0.714SS**  cis-117.6138.116.8-88.7-124.6000109F328F325-F328 HydrophobicContact CE1-CE2 4.17Å
326E28.3Very low36Very low110 Ų110140.7 Ų140.751%0.51472%0.721SS.*  cis46.790.626.6-175159.7-172.200113.1
327R34.3Very low35.7Very low178 Ų178138 Ų13867%0.67272%0.716SS**  65.2111.6129.4-179.7-168.2-176.1-175.51.4117.6
328F35.9Very low36Very low187 Ų187139.1 Ų139.182%0.8272%0.723SS**  -108.6126.9104.1-75.9-85.4000108F325F325-F328 HydrophobicContact CE1-CE2 4.17Å
329G34.7Very low36.4Very low37 Ų37138.2 Ų138.238%0.38172%0.719SS.*  cis105.637.8-0.400000115.3
330N37.4Very low36.5Very low151 Ų151138.8 Ų138.881%0.80772%0.723SS**  trans-148.8125150.7-91.8-39.3000108.4
331G41.9Very low36.7Very low57 Ų57133.6 Ų133.659%0.58872%0.718SS**  cis152.5137.4-1000000111.7
332R40.7Very low36.5Very low239 Ų239131.3 Ų131.390%0.90272%0.716SS**  trans69.8142.2-177-41.6159.1-168.3-110.61.8111
333K38.6Very low35.6Very low179 Ų179136.7 Ų136.778%0.77873%0.733SS**  cis-163.1147.43.549.8-116.51711780108.7
334M43.6Very low35.6Very low175 Ų175134.6 Ų134.686%0.86273%0.729SS**  trans-146.5115.2155.7-73.4-60.1-83.800109.2
335P38Very low35.8Very low101 Ų101139 Ų13966%0.65674%0.741SS**  trans-68.7142.7148.234.4-32.8000107.7
336V32.7Very low35.6Very low148 Ų148139.4 Ų139.490%0.89775%0.745SS**  63.8109.354.6-1770000111.7
337G35.6Very low36.4Very low67 Ų67139.2 Ų139.269%0.69175%0.753SS**  trans160.692.1173.700000114.1
338M39.8Very low36.3Very low171 Ų171137.4 Ų137.484%0.84276%0.756SS**  trans26.6122.6156-82.460.4177.900119.6
339E36.6Very low36.2Very low151 Ų151136.2 Ų136.271%0.70676%0.755SS**  59135.660-145.3-92.2158.600113.2
340P39.9Very low36Very low96 Ų96142.6 Ų142.662%0.62378%0.775SS**  cis-127.2-164.1-30.340.5-25.6000112.2
341G35Very low36.2Very low75 Ų75140.4 Ų140.477%0.77377%0.769SS**  trans151.636.2158.900000119.3
342V30.1Very low35.5Very low127 Ų127144.9 Ų144.977%0.7778%0.775SS**  trans-91.8122.4177.6-72.40000112.9
343N28.5Very low35Very low167 Ų167140.3 Ų140.389%0.89376%0.763SS**  trans-148.680.5160.5-159.4-5.8000111.5
344A32.5Very low34.5Very low86 Ų86138.1 Ų138.171%0.71176%0.756SS**  trans-149.5120.5171.200000109.8
345R32.3Very low33.6Very low252 Ų252134.9 Ų134.995%0.95175%0.746SS**  trans-87.7119.1168.6-81.3-177.1165.5-173.4-4.7109.6
346H31.3Very low33.1Very low173 Ų173133 Ų13380%0.80175%0.745SS**  trans-73.2172.6163.5-84.6-83.8000111
347P45.8Very low33.2Very low107 Ų107132.8 Ų132.870%0.69574%0.738SS**  cis-119.1-165.35.838.2-18.9000112.2
348L31.5Very low32.8Very low140 Ų140138.2 Ų138.273%0.73375%0.749SS**  cis-163.7154.526.1-164.892.8000112.5
349M32.9Very low32.3Very low162 Ų162134 Ų13480%0.79874%0.741SS**  trans74.5144.6162.9-77-57.4101.300122.5
350Q31.7Very low31.8Very low170 Ų170137.4 Ų137.479%0.79475%0.748SS**  trans-98.6-171.1169.2-57172.3-10.500108.1
351P40.8Very low31.3Very low106 Ų106139.2 Ų139.269%0.68875%0.748SS**  cis-131.7154.7-0.649-33.5000113.3
352Q27.2Very low30.9Very low150 Ų150141.7 Ų141.770%0.70174%0.743SS**  71.4129.892.7-164.1177-51.100117.5
353Q31.4Very low30.9Very low143 Ų143141.4 Ų141.467%0.66875%0.747SS**  trans67.5160.7154.6-81.9173.2-2800119.5
354Q26.9Very low30.9Very low133 Ų133139.3 Ų139.362%0.62174%0.744SS**  cis-165.1168.7-34.7-124.7175.6-5.100110
355T25.1Very low31.7Very low108 Ų108141 Ų14166%0.66375%0.748SS**  trans19.4111.5142.9-47.40000119.2L357T355-L357 HydrophobicContact CG2-CD2 4.41Å; T355-L357 HydrophobicContact CG2-CG 4.15Å
356G28.2Very low32.3Very low60 Ų60135.2 Ų135.262%0.61974%0.743SS**  trans-117-17.4-17800000119.1
357L34Very low32.3Very low144 Ų144130.9 Ų130.975%0.75475%0.745SS**  trans50.696172.5-60.3175.5000118.8T355 A359T355-L357 HydrophobicContact CG2-CD2 4.41Å; T355-L357 HydrophobicContact CG2-CG 4.15Å; L357-A359 PolarHBondContact O-N 3.49Å
358I28.1Very low31.8Very low182 Ų182133.3 Ų133.393%0.93375%0.751SS**  trans-7899.1145.7-50175.3000107.2
359A27.9Very low32.1Very low81 Ų81132.7 Ų132.767%0.66976%0.756SS**  trans-82.8123.4179.800000112L357L357-A359 PolarHBondContact O-N 3.49Å
360R26.6Very low31.9Very low223 Ų223136.1 Ų136.184%0.84276%0.76SS**  trans-163.8131.9144.8-113.4-176.1174.9-139.9-5.4114.9
361Q29.7Very low32.4Very low134 Ų134132.7 Ų132.763%0.62675%0.752SS**  trans72.487.2152.1-56-63.8-49.200120.2
362N26.9Very low32.2Very low127 Ų127133.2 Ų133.268%0.67976%0.756SS**  53.7115114.8-56.1-23000121.3
363S29.1Very low32.1Very low122 Ų122135 Ų13585%0.85376%0.764SS**  -177.2161104-75.70000112.6
364C28.2Very low31.9Very low123 Ų123132.2 Ų132.283%0.83177%0.765SS**  trans-129.8-167.5-168.2-57.90000111.4
365P50.1Low32Very low120 Ų120134.6 Ų134.678%0.77978%0.777SS**  -115.3-162.8-66.641.7-27000110.1
366P44.7Very low32.7Very low132 Ų132135 Ų13586%0.85778%0.781SS**  -149176.270.738.9-18.3000115.7
367G31.4Very low32.7Very low82 Ų82136.1 Ų136.185%0.84579%0.792SS**  trans150.485.216600000116.9
368L34.8Very low32.6Very low157 Ų157136.1 Ų136.182%0.82279%0.793SS**  trans-92.8150.8170-97.8163.5000110.3
369P38.4Very low32.7Very low128 Ų128134 Ų13483%0.83179%0.788SS**  -140.2-163.577.136.9-17.8000116.1
370R28.6Very low33Very low233 Ų233137.1 Ų137.188%0.87979%0.794SS**  trans-110.9-175.6-159.9-114.9-165133.4104.1-8.9113.2
371P41.5Very low33.1Very low98 Ų98131.6 Ų131.664%0.63679%0.789SS**  trans-109.5-175.9-156.344.7-40.2000115.3
372P36.6Very low33.1Very low117 Ų117132 Ų13276%0.7680%0.796SS**  -122.9134.1127.334.3-25.2000110.9
373Q26Very low33.6Very low189 Ų189132.4 Ų132.488%0.88380%0.797SS**  82.8139.773.5-167.8177.8-20.800113.4
374A27.8Very low33.9Very low83 Ų83133 Ų13369%0.68679%0.789SS**  trans-102.9163-172.700000113.6
375E27.8Very low34.3Very low184 Ų184133.6 Ų133.686%0.8679%0.785SS**  -170160.1126.4-91.1-122.989.700111
376P40.1Very low33.5Very low117 Ų117131.2 Ų131.276%0.7678%0.782SS**  trans-91.1159.3176.836.8-33.4000112.9
377G28.8Very low33.1Very low82 Ų82128.2 Ų128.285%0.84578%0.775SS**  trans-155.3138.4177.100000113.4
378N32.5Very low33.4Very low144 Ų144131 Ų13177%0.7778%0.775SS**  trans-127142.3-176.3-169.914.4000109
379T29.8Very low33.6Very low137 Ų137130.8 Ų130.884%0.8477%0.772SS**  trans-162.1140.9165.570000113.7
380N33.2Very low33.8Very low147 Ų147132.3 Ų132.379%0.78677%0.77SS**  trans-110.5162.1168-86-79.2000110.5
381S28.8Very low34.6Very low107 Ų107127 Ų12775%0.74877%0.766SS**  trans-160.6125.6161.5-76.40000108.7
382N29.4Very low34.1Very low144 Ų144125.4 Ų125.477%0.7777%0.767SS**  74.7143.164.1-82.3-2.9000114.4
383I37.6Very low33.8Very low135 Ų135128.5 Ų128.569%0.69277%0.771SS**  cis-169.1-168.8-20.3-156.6166.4000108.1
384L36.2Very low34.2Very low133 Ų133126.7 Ų126.770%0.69676%0.762SS**  trans80.5147.4175.1-49.6-177.3000116.7
385D35.8Very low34.4Very low136 Ų136128.5 Ų128.573%0.72776%0.761SS**  cis-142.7178.82-144.6-77.2000112.4
386G34.6Very low34.7Very low71 Ų71125.2 Ų125.273%0.73275%0.745SS**  trans-92.6-170.7-170.900000116.7
387G36.2Very low34.5Very low69 Ų69127.9 Ų127.971%0.71175%0.745SS**  cis171.8-164.7-1.100000112.8
388V36.8Very low34.6Very low139 Ų139130 Ų13084%0.84273%0.733SS**  trans80.8134.9170.2-1740000118
389M38.2Very low34.7Very low154 Ų154133.7 Ų133.776%0.75974%0.738SS**  cis-166.3161.7-30.9-94.9-150.8-71.200110
390M42.7Very low36.3Very low160 Ų160132.1 Ų132.179%0.78873%0.73SS**  trans76153.1164.8-46.9-51.9-81.900119.1
391P45.5Very low36.2Very low122 Ų122132.8 Ų132.879%0.79273%0.732SS**  cis-131.7166.7-48.137.7-23.6000112.3
392G31.3Very low36.7Very low64 Ų64134.9 Ų134.966%0.6673%0.729SS**  cis169177.5-2.400000111.2
393Q30.8Very low37.1Very low181 Ų181138.1 Ų138.185%0.84673%0.731SS**  trans71.4140179.2-41.9-59.95.800115.9
394H35.3Very low37.2Very low151 Ų151137.4 Ų137.470%0.69973%0.728SS**  cis-161.5128.8-14.5-154.8-101.9000107.6
395N31Very low37.1Very low121 Ų121139 Ų13965%0.64773%0.732SS**  56.112683.4-102.314.7000115.6
396Q34.9Very low36.9Very low116 Ų116138.8 Ų138.854%0.54273%0.731SS.*  cis-155.8-170.49.4-80.6-176.2-125.300112.4E398Q396-E398 PolarHBondContact NE2-OE1 3.43Å
397F36.3Very low36.9Very low172 Ų172146.9 Ų146.975%0.75474%0.739SS**  trans102.7150.8147.8-49.4-59.7000121.2
398E30.3Very low36.6Very low126 Ų126146.7 Ų146.759%0.58974%0.737SS**  -168.5134.3-52-126.369.2100.500114.4Q396Q396-E398 PolarHBondContact NE2-OE1 3.43Å
399Y34.7Very low36.6Very low223 Ų223148.4 Ų148.488%0.87574%0.741SS**  trans64.3167.2150.1-79.5-40.9000125.4
400P62.4Low36.7Very low103 Ų103149.9 Ų149.967%0.66975%0.745SS**  trans-130.7-155-150.446-27000114.6
401I32.5Very low36.9Very low161 Ų161147.4 Ų147.483%0.82674%0.741SS**  trans-171.5160.6142.9-98.6-76.5000113.2
402H39.2Very low36.1Very low151 Ų151152.8 Ų152.870%0.69975%0.747SS**  trans-97.2-175.2-168.1-71.6-115.1000117
403R36.5Very low36.3Very low212 Ų212153.5 Ų153.580%0.876%0.755SS**  trans94.5150.1142.6-80-164.6164.275.9-0.1118.3
404L40.3Very low36.2Very low121 Ų121152 Ų15263%0.63475%0.752SS**  cis-168.1168.2-19.8-165.660.5000110.7
405E33Very low37Very low167 Ų167150 Ų15078%0.7875%0.753SS**  trans83.4165.5139.5-118.9155.8-168.400122.2
406N32.9Very low37.1Very low131 Ų131151.3 Ų151.370%0.70176%0.757SS**  -161163-75.7-154.3-26.1000111
407R34.7Very low37Very low240 Ų240154.4 Ų154.491%0.90677%0.769SS**  trans65.9154.2167.4-59.4174.6172.7174.8-3.6117.3
408G29.8Very low36.7Very low65 Ų65152.7 Ų152.767%0.6777%0.767SS**  cis164.7-174.8-9.100000114.1
409L35.4Very low37.1Very low176 Ų176153.7 Ų153.792%0.92177%0.774SS**  trans86.3119.1166.6-53.7173.1000120.6
410H41.3Very low37.1Very low184 Ų184151.2 Ų151.285%0.85277%0.771SS**  trans-108.5-171.3144.4-65.2-74.4000106.8
411P47.1Very low35.7Very low108 Ų108155 Ų15570%0.70178%0.779SS**  cis-144.9-169.37.931.9-4.6000117.3
412Y28.2Very low36.2Very low235 Ų235153.1 Ų153.192%0.92278%0.778SS**  trans71.9139.9160-82.6-75.7000122.2
413G35.5Very low35.9Very low79 Ų79150.3 Ų150.381%0.81478%0.78SS**  trans153.895.9165.500000114.2
414D29.3Very low36.2Very low149 Ų149146 Ų14680%0.79778%0.78SS**  trans-148133175.3-178.716.1000109
415P51Low36.2Very low109 Ų109145.9 Ų145.971%0.70879%0.786SS**  -149.8139.9120.336.2-19.1000117
416M33.9Very low36.7Very low149 Ų149143.1 Ų143.173%0.73478%0.783SS**  trans36.6120.4139-51.9-166.8-59.200120.7
417F32.7Very low36.7Very low181 Ų181142.7 Ų142.779%0.79479%0.79SS**  179.4129.396.1-109.5-79.7000115.2
418N29.3Very low36.8Very low136 Ų136139.9 Ų139.973%0.72779%0.787SS**  trans81153.7138.3-130.72.3000126.1
419M38.6Very low36.9Very low147 Ų147145.1 Ų145.172%0.72479%0.794SS**  trans75.761.4146.9-120.364.7178.100121.8
420Q35.2Very low37.1Very low172 Ų172142.7 Ų142.780%0.80479%0.789SS**  29103.7114.9-163.677.663.600118.1
421Q32.9Very low37Very low181 Ų181139.9 Ų139.985%0.84679%0.787SS**  trans-84.4133.8160.4-77.6-173.3-16.100111.7
422P43.2Very low36.2Very low123 Ų123142 Ų14280%0.79979%0.792SS**  trans-95175.6166.836.8-33.2000113.1
423A34.1Very low36.4Very low91 Ų91138.9 Ų138.975%0.75279%0.787SS**  trans-88.1173-174.800000113.4
424P42.5Very low36.2Very low123 Ų123145.4 Ų145.480%0.79979%0.787SS**  trans-94.3156.7-160.637-36.4000115.8
425P40.7Very low36.4Very low117 Ų117145 Ų14576%0.7678%0.784SS**  trans-128.1-169.5151.643.9-30.7000110.6
426P42.6Very low35.7Very low110 Ų110146.4 Ų146.471%0.71478%0.781SS**  -123.2175.4-86.236.5-19.9000113.7
427S33.7Very low35.7Very low122 Ų122148.2 Ų148.285%0.85379%0.787SS**  trans-67.5133.1174.154.10000112.9
428Q36.2Very low35.5Very low180 Ų180148.3 Ų148.384%0.84179%0.787SS**  trans-120.9146.3166.2-70.9-154.760.400112
429Q32.7Very low35.5Very low176 Ų176148 Ų14882%0.82279%0.785SS**  trans-91150.6167.1-66.8-179.7-39.400109.8P431Q429-P431 WeakPolarHBondContact O-CD 3.49Å
430P38.8Very low35Very low125 Ų125145.5 Ų145.581%0.81278%0.783SS**  trans-76.8122.7174.530-32.6000111.6
431P38.9Very low35.8Very low124 Ų124142 Ų14281%0.80578%0.775SS**  trans-74.5175.7163.234.2-34.8000110.6Q429Q429-P431 WeakPolarHBondContact O-CD 3.49Å
432N29.8Very low35.5Very low152 Ų152143 Ų14381%0.81377%0.773SS**  trans-134.2159.2-167.2-150.9-26.3000111.5
433Q33.3Very low35.2Very low171 Ų171144.2 Ų144.280%0.79977%0.769SS**  trans89130.8163.1-53.3-99.564.100121.2
434R31.9Very low35Very low216 Ų216146.1 Ų146.182%0.81577%0.767SS**  trans98.3157.5132.8-136.4-175.8-170.61595.7121
435L33.4Very low34.5Very low141 Ų141148.4 Ų148.474%0.73877%0.769SS**  trans90.4124.4174.5-76.849.8000115.7
436Q36.4Very low34.2Very low138 Ų138147 Ų14765%0.64577%0.767SS**  cis-148.5154.8-22.9-73-64.243.600109.2
437H33.8Very low33.6Very low187 Ų187152 Ų15287%0.86678%0.778SS**  trans-87.8139.4144.2-93.5-102.3000108.2
438F28.5Very low33.6Very low182 Ų182157.5 Ų157.580%0.79878%0.78SS**  trans-86.3127.7164.9-104.7-93.1000109.8
439D29Very low34.1Very low129 Ų129154.1 Ų154.169%0.6977%0.773SS**  trans21.3140.9135.3-77-71000120.5
440S27.1Very low33.9Very low95 Ų95155.4 Ų155.466%0.66477%0.771SS**  cis178.6-171.71.7-127.20000107.6
441P51.5Low33.5Very low100 Ų100157.2 Ų157.265%0.64977%0.766SS**  cis-141.7-168.7-1242-22.9000116.4
442Y26.7Very low33.2Very low201 Ų201157.9 Ų157.979%0.78876%0.763SS**  trans71.9104.5153.3-82.9-84.9000123.4
443M36.7Very low33.2Very low149 Ų149159 Ų15973%0.73476%0.761SS**  trans70.296.6135.7-60.2-64.3177.900124.3
444N31.7Very low33.6Very low131 Ų131155.9 Ų155.970%0.70176%0.755SS**  23.2110.1105.3-169.317.7000120
445M32Very low33.2Very low171 Ų171152.4 Ų152.484%0.84275%0.753SS**  -172.7168117.9-132.268.9-171.800111.2
446A33.9Very low32.9Very low87 Ų87150.2 Ų150.272%0.71975%0.749SS**  trans-110.5138.3-176.500000114.6
447K30.3Very low32.7Very low216 Ų216153.4 Ų153.494%0.93976%0.764SS**  trans-176.8161.8142.5-104.3158.8-174.2176.80114.6
448R33.4Very low32.5Very low236 Ų236148.5 Ų148.589%0.89176%0.764SS**  trans-66.8178.9167-60.4172.3165.5164.1-8111.1
449P46.2Very low32.4Very low109 Ų109142.9 Ų142.971%0.70876%0.758SS**  cis-146.8-16413.245.5-25.3000117.3
450R28.4Very low32.5Very low204 Ų204145 Ų14577%0.7777%0.769SS**  trans76155.3159.6-87.7171.9145.4131.6-1.9117.5
451F30.6Very low32.5Very low162 Ų162143.4 Ų143.471%0.71177%0.768SS**  cis-128.8177.14.7-119.3-72.7000112
452D32.6Very low31.3Very low139 Ų139150.3 Ų150.374%0.74378%0.781SS**  trans-140.4-176.7-171.3-152.7-36.8000110.1
453F30.5Very low31.3Very low174 Ų174146.6 Ų146.676%0.76378%0.783SS**  trans90.8155.6173.3-59.4-59.2000118.6
454P40.7Very low30.8Very low106 Ų106143 Ų14369%0.68878%0.784SS**  cis-142.2-174.4-32.838.1-20.3000115.2
455N24.2Very low31Very low144 Ų144142 Ų14277%0.7779%0.787SS**  trans70.4118.7163.2-91.95.1000117.9
456S26.1Very low30.9Very low94 Ų94142.8 Ų142.866%0.65779%0.791SS**  86.1103.652.4-64.40000113.2
457H33.1Very low30.8Very low205 Ų205144.6 Ų144.695%0.94979%0.789SS**  -157.9107.4124.5-100.1-65.6000109.1
458G29.5Very low30.8Very low85 Ų85140.1 Ų140.188%0.87678%0.775SS**  trans-118.9131.8168.400000109.6
459G26.9Very low30.9Very low64 Ų64136.3 Ų136.366%0.6677%0.767SS**  trans-167.8137.8170.900000106.4
460D31Very low30Very low172 Ų172139.7 Ų139.792%0.9278%0.778SS**  cis-132.3-170.73.5-36-58.8000108.1
461G27.6Very low30.3Very low62 Ų62134.9 Ų134.964%0.63978%0.776SS**  cis179.135.613.400000114.4
462W25.8Very low30.7Very low245 Ų245132.8 Ų132.893%0.92878%0.778SS**  trans75.9159.7162.2-69.233.8000120.2
463C26.8Very low30.7Very low124 Ų124132 Ų13284%0.83878%0.784SS**  trans64.1129.4162.2-66.50000119.1
464G25.6Very low30.7Very low73 Ų73127.8 Ų127.875%0.75378%0.781SS**  cis-179.7166.5-600000113.6M466G464-M466 PolarHBondContact O-N 3.33Å
465S35.5Very low30.2Very low110 Ų110133.7 Ų133.777%0.76979%0.792SS**  trans-77.1109.6164.4-1670000108.2
466M30.8Very low31.3Very low187 Ų187132.4 Ų132.492%0.92179%0.791SS**  trans-135.6112.2156.6-95.4-163.516300110.8G464G464-M466 PolarHBondContact O-N 3.33Å
467D30.8Very low31.5Very low125 Ų125131.3 Ų131.367%0.66879%0.794SS**  trans-58.3137.6171.3-53.7-110.7000112
468N30.8Very low32Very low122 Ų122129.6 Ų129.665%0.65279%0.791SS**  trans68136.7132.4-83.9-49000122.8
469H35.7Very low33Very low157 Ų157131.4 Ų131.473%0.72779%0.788SS**  trans65.5124.1154.1-37.8-39.4000119.6
470L27.4Very low33.3Very low180 Ų180131.1 Ų131.194%0.94278%0.784SS**  trans-133.4103143.3-81.3-179.3000110.2
471S34.6Very low33.5Very low103 Ų103132 Ų13272%0.7278%0.783SS**  trans-83.9166.8160.7-47.60000110.1
472P39.5Very low33.6Very low117 Ų117138.5 Ų138.576%0.7679%0.794SS**  trans-101.9105.2159.233.7-26.4000112.3
473S32.5Very low34.1Very low124 Ų124132.3 Ų132.387%0.86778%0.783SS**  trans69.2153.4152.1-53.40000118.7
474A30.1Very low35.7Very low85 Ų85131.3 Ų131.370%0.70278%0.775SS**  cis-148.9141.8600000114.7
475Y29.6Very low36.8Very low230 Ų230134 Ų13490%0.90278%0.779SS**  trans71.9156.9146.9-88.3-112.9000122
476P46.8Very low36.8Very low117 Ų117134.5 Ų134.576%0.7678%0.778SS**  trans-130.3179-147.944.9-30.8000117.8
477G31.6Very low36.7Very low70 Ų70132 Ų13272%0.72277%0.768SS**  trans-158.4157.1167.800000112.7
478L42.9Very low36.7Very low169 Ų169133.9 Ų133.989%0.88577%0.773SS**  trans-119.5-153.6-164.8-64173.4000113.9
479P50.4Low36.6Very low124 Ų124131 Ų13181%0.80577%0.772SS**  -130.3-162.4-9343.6-26.8000115.2
480G34.2Very low36.2Very low57 Ų57133.3 Ų133.359%0.58878%0.78SS**  trans131.9113168.200000112.3
481E33.5Very low36.4Very low190 Ų190128.8 Ų128.889%0.88877%0.769SS**  cis93.9104.840.2-71.6-170131.500114.9
482F30.1Very low36.8Very low200 Ų200129.8 Ų129.888%0.87777%0.773SS**  -174.8156.5115.7-141.4-103.3000112.2
483T35.9Very low36.2Very low115 Ų115127.8 Ų127.871%0.70677%0.774SS**  trans-147.5-160.8179.351.20000111.3
484P60.8Low36.3Very low103 Ų103128 Ų12867%0.66977%0.772SS**  -102.1-159.4-93.436.7-19.6000112.9
485P48.6Very low36.6Very low129 Ų129131.8 Ų131.884%0.83878%0.78SS**  -140.5-167.294.438.4-22.7000114.5
486V35.5Very low37Very low121 Ų121129.8 Ų129.873%0.73378%0.778SS**  trans-130.2159.8-156.7-82.90000114.6
487N28.9Very low36.3Very low133 Ų133132.6 Ų132.671%0.71178%0.781SS**  174.1167.5123.1-98.640000111.1
488E31.5Very low36.6Very low166 Ų166135.4 Ų135.478%0.77679%0.786SS**  cis176.7127.2-40.1-173.7164.4-14400107.4
489G28Very low36.5Very low62 Ų62130.5 Ų130.564%0.63978%0.777SS**  trans158.2155179.300000117.1
490F27.9Very low36.2Very low204 Ų204130.8 Ų130.890%0.89578%0.779SS**  trans-146.3157.8-160.6-69.9-66.6000113.9
491A31.4Very low36.7Very low85 Ų85133.4 Ų133.470%0.70278%0.776SS**  cis-148.6-84.7-9.600000116.2
492P42.3Very low37.7Very low125 Ų125129.1 Ų129.181%0.81276%0.764SS**  -122.4129.7-127.934.4-19.3000119.5
493G27.8Very low38.7Very low75 Ų75125.9 Ų125.977%0.77375%0.752SS**  trans81.9169.8141.500000119.5
494P35.5Very low40Very low128 Ų128124 Ų12483%0.83174%0.744SS**  cis-114.3165.5-9.240.1-29.1000113.7
495L36.1Very low40.4Very low165 Ų165124.5 Ų124.586%0.86474%0.74SS**  trans-87.6136.1170.4-76.7168.7000111.9
496Q36.8Very low41.6Very low187 Ų187123.7 Ų123.787%0.87473%0.725SS**  trans-143.1144153.6-76.5-152.851.100109.9
497H33.3Very low43.5Very low177 Ų177125.1 Ų125.182%0.81972%0.724SS**  trans-88.4136.9-175.4-65.7-100.7000112.1
498P38Very low45.7Very low128 Ų128128 Ų12883%0.83173%0.725SS**  trans-67.9146.1163-1832.4000112
499G40.9Very low47.9Very low66 Ų66125.4 Ų125.468%0.6871%0.712SS**  trans-81.5-177.2175.100000114.3
500P43.3Very low50.4Low131 Ų131126.4 Ų126.485%0.85170%0.703SS**  trans-67.9148.6-175.328-35.4000114
501E45.3Very low52.8Low111 Ų111118.7 Ų118.752%0.51968%0.677SS.*  trans-72.4143.2-169.4-120.1-130.292.700114.8Q503 S504E501-Q503 VanDerWaalsContact C-N 3.3Å; E501-Q503 VanDerWaalsContact CD-NE2 3.29Å; E501-Q503 PolarHBondContact O-N 3.39Å; E501-Q503 WeakPolarHBondContact OE1-CG 3.28Å; E501-Q503 PolarHBondContact OE1-NE2 3.21Å; E501-Q503 PolarHBondContact OE2-NE2 3.29Å; E501-S504 PolarHBondContact O-N 3.39Å; E501-S504 PolarHBondContact O-OG 3.01Å
502P52.9Low55.2Low100 Ų100117.2 Ų117.265%0.64967%0.665SS**THydrogen-bonded Turntrans-68.7-22.2-17728.3-35.5000114.3S504 L505 Q506P502-S504 PolarHBondContact O-N 3.19Å; P502-L505 PolarHBondContact O-N 3.48Å; P502-L505 VanDerWaalsContact O-N 3.13Å; P502-Q506 PolarHBondContact O-N 3.45Å
503Q52.4Low57.2Low132 Ų132116.8 Ų116.862%0.61765%0.653SS**Hα-helixtrans-56.3-37.4178.7-71.1-178.459.200112.8E501 L505 Q506 Q507E501-Q503 VanDerWaalsContact C-N 3.3Å; E501-Q503 VanDerWaalsContact CD-NE2 3.29Å; E501-Q503 PolarHBondContact O-N 3.39Å; E501-Q503 WeakPolarHBondContact OE1-CG 3.28Å; E501-Q503 PolarHBondContact OE1-NE2 3.21Å; E501-Q503 PolarHBondContact OE2-NE2 3.29Å; Q503-L505 VanDerWaalsContact C-N 3.27Å; Q503-L505 PolarHBondContact O-N 3.47Å; Q503-Q506 PolarHBondContact O-N 2.85Å; Q503-Q507 PolarHBondContact O-N 3.29Å; Q503-Q507 VanDerWaalsContact O-N 3.09Å
504S62.8Low59.9Low76 Ų76118.6 Ų118.653%0.53164%0.643SS.*Hα-helixtrans-59.6-35.4179.2660000113.1E501 P502 R508E501-S504 PolarHBondContact O-N 3.39Å; E501-S504 PolarHBondContact O-OG 3.01Å; P502-S504 PolarHBondContact O-N 3.19Å; S504-R508 PolarHBondContact O-N 3.31Å
505L70Confident62.1Low113 Ų113117.8 Ų117.859%0.59263%0.631SS**Hα-helixtrans-74.2-38.7179.5-162.272.8000111.3P502 Q503 R508 Q509P502-L505 PolarHBondContact O-N 3.48Å; P502-L505 VanDerWaalsContact O-N 3.13Å; Q503-L505 VanDerWaalsContact C-N 3.27Å; Q503-L505 PolarHBondContact O-N 3.47Å; L505-R508 PolarHBondContact O-N 2.8Å; L505-Q509 PolarHBondContact O-N 3.4Å
506Q73.7Confident64Low112 Ų112117.7 Ų117.752%0.52362%0.623SS.*Hα-helixtrans-65.7-41.6178.2-162.665.954.700111.7P502 Q503 Q509 N510P502-Q506 PolarHBondContact O-N 3.45Å; Q503-Q506 PolarHBondContact O-N 2.85Å; Q506-Q509 PolarHBondContact O-N 3.33Å; Q506-N510 PolarHBondContact O-N 2.8Å
507Q75.5Confident65.8Low151 Ų151115.8 Ų115.871%0.70662%0.615SS**Hα-helixtrans-66.7-39.4176-163175.220.800111.6Q503 Q509 N510 A511Q503-Q507 PolarHBondContact O-N 3.29Å; Q503-Q507 VanDerWaalsContact O-N 3.09Å; Q507-Q509 VanDerWaalsContact C-N 3.35Å; Q507-Q509 PolarHBondContact O-N 2.88Å; Q507-N510 PolarHBondContact O-N 3.39Å; Q507-A511 PolarHBondContact O-N 3Å
508R73.9Confident67.7Low195 Ų195113.5 Ų113.574%0.73661%0.606SS**Hα-helixtrans-62.1-38.2173-177.4173.9-75.3-135.5-1.9112.4S504 L505 A512S504-R508 PolarHBondContact O-N 3.31Å; L505-R508 PolarHBondContact O-N 2.8Å; R508-A512 WeakPolarHBondContact O-CB 3.22Å; R508-A512 PolarHBondContact O-N 3.23Å
509Q77.6Confident69.2Low110 Ų110109.8 Ų109.851%0.51459%0.586SS.*Hα-helixtrans-67.3-41.1174.2-76.7-169.7-300112.9L505 Q506 Q507 A512 M513L505-Q509 PolarHBondContact O-N 3.4Å; Q506-Q509 PolarHBondContact O-N 3.33Å; Q507-Q509 VanDerWaalsContact C-N 3.35Å; Q507-Q509 PolarHBondContact O-N 2.88Å; Q509-A512 PolarHBondContact O-N 3.39Å; Q509-M513 PolarHBondContact O-N 3.37Å
510N80.9Confident70.8Confident83 Ų83109.5 Ų109.544%0.44457%0.574SS.*Hα-helixtrans-63.5-43.4175.6-90.4-35.5000112.2Q506 Q507 A512 M513 M514Q506-N510 PolarHBondContact O-N 2.8Å; Q507-N510 PolarHBondContact O-N 3.39Å; N510-A512 VanDerWaalsContact C-N 3.35Å; N510-A512 PolarHBondContact O-N 2.84Å; N510-M513 PolarHBondContact O-N 3.08Å; N510-M514 PolarHBondContact O-N 2.95Å; N510-M514 VanDerWaalsContact O-N 3.09Å
511A78.6Confident71.7Confident42 Ų42112 Ų11235%0.34757%0.566SS.*Hα-helixtrans-59.8-44.7173.100000111.7Q507 M513 M514 I515Q507-A511 PolarHBondContact O-N 3Å; A511-M513 VanDerWaalsContact C-N 3.32Å; A511-M513 PolarHBondContact O-N 3.43Å; A511-M514 PolarHBondContact O-N 3Å; A511-I515 VanDerWaalsContact O-CG1 3.3Å; A511-I515 WeakPolarHBondContact O-CG1 3.27Å; A511-I515 PolarHBondContact O-N 3.29Å
512A82.2Confident72.6Confident55 Ų55111.5 Ų111.546%0.45557%0.567SS.*Hα-helixtrans-62.3-35.4176.500000113.1R508 Q509 N510 K516R508-A512 WeakPolarHBondContact O-CB 3.22Å; R508-A512 PolarHBondContact O-N 3.23Å; Q509-A512 PolarHBondContact O-N 3.39Å; N510-A512 VanDerWaalsContact C-N 3.35Å; N510-A512 PolarHBondContact O-N 2.84Å; A512-K516 VanDerWaalsContact O-CB 3.25Å; A512-K516 WeakPolarHBondContact O-CB 3.29Å; A512-K516 PolarHBondContact O-N 3.42Å
513M83.9Confident73.2Confident115 Ų115113.2 Ų113.257%0.56757%0.566SS**Hα-helixtrans-66.4-46.1173.7-96.4-167.2-71.600112.6Q509 N510 A511 I515 K516 Q517Q509-M513 PolarHBondContact O-N 3.37Å; N510-M513 PolarHBondContact O-N 3.08Å; A511-M513 VanDerWaalsContact C-N 3.32Å; A511-M513 PolarHBondContact O-N 3.43Å; M513-I515 PolarHBondContact O-N 3.33Å; M513-K516 PolarHBondContact O-N 2.63Å; M513-Q517 PolarHBondContact O-N 3.37Å
514M85Confident73.5Confident113 Ų113113.3 Ų113.356%0.55757%0.567SS**Hα-helixtrans-62.1-43.3177.2-72.4-172.3-74.600112.1N510 A511 K516 Q517 M518N510-M514 PolarHBondContact O-N 2.95Å; N510-M514 VanDerWaalsContact O-N 3.09Å; A511-M514 PolarHBondContact O-N 3Å; M514-K516 VanDerWaalsContact C-N 3.33Å; M514-K516 PolarHBondContact O-N 3.44Å; M514-Q517 PolarHBondContact O-N 2.71Å; M514-M518 PolarHBondContact O-N 2.94Å
515I81Confident73.4Confident111 Ų111116.2 Ų116.257%0.56957%0.572SS**Hα-helixtrans-60.4-43.3174.7-67.8165.3000110.6A511 M513 Q517 M518 A519A511-I515 VanDerWaalsContact O-CG1 3.3Å; A511-I515 WeakPolarHBondContact O-CG1 3.27Å; A511-I515 PolarHBondContact O-N 3.29Å; M513-I515 PolarHBondContact O-N 3.33Å; I515-Q517 PolarHBondContact O-N 2.97Å; I515-M518 PolarHBondContact O-N 3.47Å; I515-A519 WeakPolarHBondContact O-CB 3.48Å; I515-A519 PolarHBondContact O-N 3.25Å
516K75.4Confident72.6Confident164 Ų164119.4 Ų119.471%0.71358%0.576SS**Hα-helixtrans-66.5-34178.3-166.4173.2-176.6-179.60112.7A512 M513 M514 S520A512-K516 VanDerWaalsContact O-CB 3.25Å; A512-K516 WeakPolarHBondContact O-CB 3.29Å; A512-K516 PolarHBondContact O-N 3.42Å; M513-K516 PolarHBondContact O-N 2.63Å; M514-K516 VanDerWaalsContact C-N 3.33Å; M514-K516 PolarHBondContact O-N 3.44Å; K516-S520 VanDerWaalsContact O-CB 3.3Å; K516-S520 WeakPolarHBondContact O-CB 3.33Å; K516-S520 PolarHBondContact O-N 2.79Å
517Q74.9Confident71.3Confident147 Ų147121.5 Ų121.569%0.68759%0.588SS**Hα-helixtrans-66.1-48.1172.3-108.1-178.5-1000112M513 M514 I515 S520 R521M513-Q517 PolarHBondContact O-N 3.37Å; M514-Q517 PolarHBondContact O-N 2.71Å; I515-Q517 PolarHBondContact O-N 2.97Å; Q517-S520 WeakPolarHBondContact O-CB 3.48Å; Q517-S520 PolarHBondContact O-N 2.98Å; Q517-R521 PolarHBondContact O-N 2.81Å; Q517-R521 VanDerWaalsContact O-N 3.09Å
518M73.8Confident69.8Low129 Ų129124.2 Ų124.264%0.63559%0.591SS**Hα-helixtrans-63.1-42.9178-71.8-172-79.600112.1M514 I515 S520 R521 N522M514-M518 PolarHBondContact O-N 2.94Å; I515-M518 PolarHBondContact O-N 3.47Å; M518-S520 PolarHBondContact O-N 2.93Å; M518-R521 PolarHBondContact O-N 3.35Å; M518-N522 PolarHBondContact O-N 2.86Å
519A68.4Low67.9Low50 Ų50123.1 Ų123.141%0.41360%0.595SS.*Hα-helixtrans-62.6-39.7175.100000112.6I515 N522 Q523I515-A519 WeakPolarHBondContact O-CB 3.48Å; I515-A519 PolarHBondContact O-N 3.25Å; A519-N522 PolarHBondContact O-N 2.85Å; A519-Q523 PolarHBondContact O-N 2.96Å
520S74.3Confident66.2Low60 Ų60123.9 Ų123.942%0.4261%0.609SS.*Hα-helixtrans-61.4-47.6176.6-172.60000111.9K516 Q517 M518 N522 Q523 Q524K516-S520 VanDerWaalsContact O-CB 3.3Å; K516-S520 WeakPolarHBondContact O-CB 3.33Å; K516-S520 PolarHBondContact O-N 2.79Å; Q517-S520 WeakPolarHBondContact O-CB 3.48Å; Q517-S520 PolarHBondContact O-N 2.98Å; M518-S520 PolarHBondContact O-N 2.93Å; S520-N522 VanDerWaalsContact C-N 3.27Å; S520-N522 PolarHBondContact O-N 2.8Å; S520-Q523 PolarHBondContact O-N 3.28Å; S520-Q524 WeakPolarHBondContact O-CG 3.19Å; S520-Q524 PolarHBondContact O-N 2.87Å
521R62.2Low63.7Low183 Ų183124.9 Ų124.969%0.69162%0.623SS**Hα-helixtrans-59.3-37.4177.2-178.1172.9171.6167.1-2.7112.2Q517 M518 Q525Q517-R521 PolarHBondContact O-N 2.81Å; Q517-R521 VanDerWaalsContact O-N 3.09Å; M518-R521 PolarHBondContact O-N 3.35Å; R521-Q525 PolarHBondContact O-N 3.03Å
522N64.1Low61.8Low100 Ų100130.4 Ų130.454%0.53565%0.645SS.*Hα-helixtrans-71.5-40.4177-162.9-93.7000112.5M518 A519 S520 Q524 Q525 R526M518-N522 PolarHBondContact O-N 2.86Å; A519-N522 PolarHBondContact O-N 2.85Å; S520-N522 VanDerWaalsContact C-N 3.27Å; S520-N522 PolarHBondContact O-N 2.8Å; N522-Q524 PolarHBondContact O-N 2.89Å; N522-Q525 PolarHBondContact O-N 3.37Å; N522-R526 PolarHBondContact O-N 2.89Å
523Q65.8Low59.5Low136 Ų136135 Ų13564%0.63666%0.657SS**Hα-helixtrans-65.7-36.1174.5-72.1-165.912.900112.9A519 S520 Q525 R526 M527A519-Q523 PolarHBondContact O-N 2.96Å; S520-Q523 PolarHBondContact O-N 3.28Å; Q523-Q525 VanDerWaalsContact C-N 3.3Å; Q523-Q525 PolarHBondContact O-N 3.21Å; Q523-R526 PolarHBondContact O-N 3.43Å; Q523-M527 WeakPolarHBondContact O-CB 3.27Å; Q523-M527 WeakPolarHBondContact O-CG 3.43Å; Q523-M527 PolarHBondContact O-N 3.13Å
524Q59.9Low57.1Low135 Ų135136.3 Ų136.363%0.63166%0.662SS**Hα-helixtrans-61.7-36.9174.5-74.7177.8-18.200112.4S520 N522S520-Q524 WeakPolarHBondContact O-CG 3.19Å; S520-Q524 PolarHBondContact O-N 2.87Å; N522-Q524 PolarHBondContact O-N 2.89Å
525Q59.4Low54.6Low137 Ų137139.7 Ų139.764%0.6468%0.682SS**Hα-helixtrans-69-41.3172.1-71-177.3-46.200112.2R521 N522 Q523 M527 R528R521-Q525 PolarHBondContact O-N 3.03Å; N522-Q525 PolarHBondContact O-N 3.37Å; Q523-Q525 VanDerWaalsContact C-N 3.3Å; Q523-Q525 PolarHBondContact O-N 3.21Å; Q525-M527 VanDerWaalsContact C-N 3.3Å; Q525-M527 PolarHBondContact O-N 2.71Å; Q525-R528 PolarHBondContact O-N 2.74Å
526R54.4Low52.3Low180 Ų180137.3 Ų137.368%0.67968%0.684SS**Hα-helixtrans-69.8-21178.8-173.5174.6-93.7-144-1.2113.9N522 Q523N522-R526 PolarHBondContact O-N 2.89Å; Q523-R526 PolarHBondContact O-N 3.43Å
527M46.2Very low50.4Low156 Ų156137.9 Ų137.977%0.76869%0.689SS**THydrogen-bonded Turntrans-91-8.5179.7-75.5-67.1-68.100114.9Q523 Q525 Q529Q523-M527 WeakPolarHBondContact O-CB 3.27Å; Q523-M527 WeakPolarHBondContact O-CG 3.43Å; Q523-M527 PolarHBondContact O-N 3.13Å; Q525-M527 VanDerWaalsContact C-N 3.3Å; Q525-M527 PolarHBondContact O-N 2.71Å; M527-Q529 PolarHBondContact O-N 2.9Å
528R43Very low48.4Very low207 Ų207140 Ų14078%0.78170%0.699SS**  trans-88.797.1179.1-177.5174.6166109.9-3.3110.7Q525Q525-R528 PolarHBondContact O-N 2.74Å
529Q34.3Very low46.4Very low173 Ų173137.5 Ų137.581%0.80871%0.705SS**  trans-61.6148.9170.6-73.8-169.1-800111.7M527 S531M527-Q529 PolarHBondContact O-N 2.9Å; Q529-S531 PolarHBondContact O-N 3.07Å
530P41.4Very low44.6Very low126 Ų126142.4 Ų142.482%0.81873%0.725SS**  trans-74.3115.5172.730.3-33000110.7L532P530-L532 PolarHBondContact O-N 3.19Å
531S29.3Very low42.8Very low104 Ų104145.2 Ų145.273%0.72774%0.739SS**  trans-80.2112.8172.3530000110.8Q529Q529-S531 PolarHBondContact O-N 3.07Å
532L38.2Very low41.5Very low157 Ų157142.1 Ų142.182%0.82274%0.742SS**  trans-76.1150.3166.2-86.1164.9000111.1P530P530-L532 PolarHBondContact O-N 3.19Å
533Q34.3Very low40.1Very low152 Ų152142.9 Ų142.971%0.7175%0.753SS**  trans93.7139-169-59.6163.188.200113.3
534Q32.9Very low38.3Very low143 Ų143143.1 Ų143.167%0.66876%0.764SS**  cis-154.5135-1.7-120.2170.674.100108.2
535L32.4Very low37.3Very low184 Ų184142 Ų14296%0.96377%0.768SS**  trans-151.195.9162.9-173.162000110.3
536G33.5Very low36Very low60 Ų60143.5 Ų143.562%0.61978%0.777SS**  trans-138.7106.6174.600000109.6
537H34.6Very low35.1Very low176 Ų176141.1 Ų141.182%0.81578%0.782SS**  trans40.7113.5165-44.2-66.5000119.1
538H33.8Very low34.5Very low193 Ų193143.4 Ų143.489%0.89479%0.791SS**  -142.4121.6124.4-90.6-76.9000108.2
539G32.3Very low33.9Very low75 Ų75137.5 Ų137.577%0.77380%0.795SS**  trans-118123.1164.500000107
540D30.7Very low33.7Very low154 Ų154132.9 Ų132.982%0.82479%0.794SS**  trans-147.7151176.1-126-43.9000110.3
541V35.6Very low33.7Very low119 Ų119132.4 Ų132.472%0.72179%0.79SS**  trans-95.3135.8-163.71780000111.1P543V541-P543 VanDerWaalsContact O-CD 3.28Å; V541-P543 WeakPolarHBondContact O-CD 3.24Å
542P34.6Very low33.8Very low117 Ų117134.5 Ų134.576%0.7680%0.798SS**  trans-69.3122.5175.527.6-34.2000111.8
543P35.4Very low33.4Very low117 Ų117130.3 Ų130.376%0.7679%0.793SS**  trans-110.8115.8-17635.7-24.1000113.3V541V541-P543 VanDerWaalsContact O-CD 3.28Å; V541-P543 WeakPolarHBondContact O-CD 3.24Å
544V27.4Very low33.2Very low141 Ų141131.2 Ų131.286%0.85580%0.803SS**  trans-151.4159.2164.2-114.40000109.5
545P39.3Very low33.3Very low111 Ų111132.1 Ų132.172%0.72181%0.809SS**  -126.4-175.5-108.242.1-28.3000113.5
546M32.1Very low33.8Very low168 Ų168129 Ų12983%0.82880%0.8SS**  trans-176.6165133.8-98.6-73.2174.800111.9
547T35.6Very low33.7Very low130 Ų130133.1 Ų133.180%0.79880%0.803SS**  trans62.4107.3169.257.70000119.7
548H34.4Very low34.3Very low204 Ų204130 Ų13094%0.94480%0.798SS**  trans-79.3150147.3-66.2-97.6000109.5
549G30.3Very low33.9Very low84 Ų84126.8 Ų126.887%0.86679%0.788SS**  trans-170.330.7-172.900000122.6
550G28.8Very low33.8Very low76 Ų76132 Ų13278%0.78479%0.79SS**  trans88.6177.116000000119
551P43Very low33.8Very low115 Ų115130.3 Ų130.375%0.74778%0.78SS**  trans-135.3-171.3-154.240.2-20.4000117.2
552V31.4Very low33.4Very low148 Ų148133.2 Ų133.290%0.89778%0.778SS**  trans72141.2165.6-53.30000120.2
553G28.7Very low33.2Very low69 Ų69136.2 Ų136.271%0.71178%0.782SS**  trans158.847.9164.700000122.9
554N30Very low32.8Very low171 Ų171137.1 Ų137.191%0.91478%0.781SS**  trans65.9139155.1-63.2-19.6000123.8
555M35.3Very low33Very low163 Ų163136 Ų13680%0.80378%0.779SS**  trans-73.3171.3163.1-14041.9174.800110
556P42.5Very low32.6Very low117 Ų117134.2 Ų134.276%0.7678%0.781SS**  cis-146.8178.121.544.1-23.3000120.1
557Q31.7Very low32.7Very low148 Ų148138.5 Ų138.569%0.69279%0.788SS**  trans-62.3170.3157.9-75.1-86.7-17.300112.3
558P46.6Very low32.7Very low110 Ų110139.5 Ų139.571%0.71479%0.786SS**  cis-143.2176.220.544.7-26.2000119
559N27.3Very low33.1Very low125 Ų125135 Ų13567%0.66877%0.774SS**  trans35.7135.4146.9-90.20.7000124.6
560F28.8Very low32.9Very low186 Ų186135.5 Ų135.582%0.81677%0.765SS**  trans42.5125.6146.9-68.6-72.9000121.4
561D30.4Very low33Very low118 Ų118137.9 Ų137.963%0.63176%0.758SS**  -165161.894.8-146.1-17.9000113.2
562R28.4Very low32.4Very low180 Ų180140.1 Ų140.168%0.67976%0.764SS**  trans51.5102.7147.9-155155.5-70.8100.321.2123.2
563E30.6Very low32.3Very low180 Ų180135.8 Ų135.884%0.84175%0.749SS**  44.3129.7118.5-162.3175.8109.200122.5
564N27.2Very low32.3Very low136 Ų136141.5 Ų141.573%0.72776%0.757SS**  157.1130.5122.7-1717000114.7
565S30Very low32.2Very low116 Ų116140.8 Ų140.881%0.81175%0.753SS**  trans49.1143.5157.8-68.30000123.1
566G31.8Very low32.9Very low75 Ų75138.1 Ų138.177%0.77375%0.748SS**  trans-157.3-39.617900000121.7
567R33.8Very low32.3Very low257 Ų257140.9 Ų140.997%0.9775%0.751SS**  trans70149.2178.9-59.7-172.7178.1-133.4-0.6120
568M35.1Very low32.4Very low152 Ų152139 Ų13975%0.74975%0.749SS**  trans-83.4-178.7-179.5-75.2-80.8-73.600113.9I571M568-I571 HydrophobicContact CE-CD1 4.1Å
569P43.1Very low31.5Very low109 Ų109139.8 Ų139.871%0.70875%0.752SS**  cis-117.3-153.92.643.5-28.8000112.6
570S27.4Very low31.5Very low95 Ų95141.3 Ų141.366%0.66476%0.755SS**  cis-153.8165.92.8-137.90000107.9
571I29.6Very low31.4Very low125 Ų125139.2 Ų139.264%0.64175%0.748SS**  cis82.187.414.4-48173.8000116.2M568M568-I571 HydrophobicContact CE-CD1 4.1Å
572D30.7Very low31.4Very low163 Ų163140.2 Ų140.287%0.87275%0.753SS**  179.1159.9121.5-105.7-45.6000109.5
573G29.5Very low31.6Very low57 Ų57137.6 Ų137.659%0.58876%0.762SS**  cis174.7146-6.100000111.7
574Q29.5Very low31.7Very low189 Ų189139.1 Ų139.188%0.88376%0.76SS**  trans56.6127.8166.4-102.265.4-7.300123.8
575N27.5Very low31.8Very low155 Ų155141.8 Ų141.883%0.82977%0.766SS**  trans-168.1158.5155.4-160.822.5000107.2
576P49.3Very low31.7Very low108 Ų108145.6 Ų145.670%0.70177%0.771SS**  cis-121.1178.3-1541.5-28.1000114.1
577H30.7Very low31.6Very low175 Ų175144 Ų14481%0.8176%0.755SS**  trans-139.3140.8148.5-164.6-84.3000113.8
578V33Very low31.5Very low109 Ų109134.9 Ų134.966%0.66173%0.73SS**  trans-57.8139.5-175.2-158.90000115
579T27.8Very low31.6Very low125 Ų125132.2 Ų132.277%0.76772%0.716SS**  -161.5143123.624.30000111.8
580Q27Very low31.5Very low157 Ų157130.1 Ų130.173%0.73470%0.702SS**  trans6.8153.1153.8-70162.6-82.300122
581E27.6Very low32.2Very low142 Ų142131.6 Ų131.666%0.66471%0.709SS**  cis-167.1172.1-17.759.8-17291.400110.9S583E581-S583 PolarHBondContact O-N 3.5Å
582N30.7Very low32.4Very low140 Ų140127.7 Ų127.775%0.74970%0.7SS**  trans-14114.1177.7-69.4-37.4000118.2
583S32.7Very low32.5Very low124 Ų124128 Ų12887%0.86770%0.696SS**  trans-134.3116.4155.4-75.40000110.1E581E581-S583 PolarHBondContact O-N 3.5Å
584W31.1Very low33.1Very low212 Ų212132.5 Ų132.580%0.80371%0.706SS**  trans-98.6155.4175.5-87.256.8000110.5
585F30.2Very low33.2Very low192 Ų192131.4 Ų131.484%0.84270%0.703SS**  trans72.6117.7-179.1-61-82.6000116.1
586Q28.3Very low33.7Very low196 Ų196128.4 Ų128.492%0.91669%0.694SS**  trans-97136.2152.9-66.2-160.2-14.500108.8
587G28.3Very low33Very low42 Ų42130.5 Ų130.543%0.43369%0.688SS.*  trans-102.7149.4154.300000108.4
588S32.9Very low33.4Very low65 Ų65133.2 Ų133.246%0.45569%0.691SS.*  trans-109.8158178.458.50000110.8G169 Q170G169-S588 CarbonylContact C-O 3.39Å; Q170-S588 WeakPolarHBondContact CA-O 3.45Å; Q170-S588 WeakPolarHBondContact CB-O 3.2Å; Q170-S588 PolarHBondContact O-N 3.38Å; Q170-S588 PolarHBondContact OE1-OG 3.35Å
589H35.9Very low33.5Very low97 Ų97136.7 Ų136.745%0.44970%0.702SS.*  trans-138.5121.9-169.8-54.6-47.1000110.9E168 G169E168-H589 VanDerWaalsContact C-ND1 3.25Å; E168-H589 VanDerWaalsContact CD-CB 3.42Å; E168-H589 VanDerWaalsContact CD-CD2 3.49Å; E168-H589 VanDerWaalsContact CD-CG 3.48Å; E168-H589 HydrophobicContact CG-CB 3.97Å; E168-H589 WeakPolarHBondContact OE1-CB 3.47Å; E168-H589 IonicContact OE1-CD2 2.96Å; E168-H589 PolarHBondContact OE1-CD2 3.42Å; E168-H589 IonicContact OE1-CG 2.68Å; E168-H589 IonicContact OE1-NE2 3.2Å; G169-H589 PolarHBondContact N-ND1 2.95Å; G169-H589 PolarHBondContact O-CE1 3.06Å; G169-H589 VanDerWaalsContact O-CE1 3.28Å; G169-H589 PolarHBondContact O-ND1 3.47Å
590P42.1Very low33.6Very low65 Ų65134.1 Ų134.142%0.42270%0.701SS.*  trans-98.1161.1179.837-34000113.7
591P42.5Very low33.7Very low125 Ų125130.4 Ų130.481%0.81270%0.704SS**  trans-120.8164.7-149.141.5-31.8000117.8
592G34.1Very low34Very low44 Ų44129.1 Ų129.145%0.45472%0.718SS.*  trans119.8137.6138.200000119.6L166L166-G592 VanDerWaalsContact CD1-C 3.43Å; L166-G592 VanDerWaalsContact CD1-O 3.23Å; L166-G592 WeakPolarHBondContact CD1-O 3.42Å; L166-G592 WeakPolarHBondContact CD2-O 3.36Å
593E32.6Very low34Very low169 Ų169125.9 Ų125.979%0.7972%0.717SS**  trans108.370.1170-59.2-169.3-171.600118.2
594I40.7Very low33.7Very low152 Ų152126.6 Ų126.678%0.77971%0.712SS**  34.2121.193.652.9158.8000121.1
595M32.4Very low33.9Very low166 Ų166123.6 Ų123.682%0.81871%0.707SS**  trans-161.198.6138.4-109.8177.7-109.900111.4
596S37.2Very low34Very low92 Ų92120.5 Ų120.564%0.64371%0.708SS**  72.4112.584.3-76.80000117.9
597R34.9Very low34Very low152 Ų152114.5 Ų114.557%0.57470%0.699SS**  trans-153.9155.8136-134.1149.8-75.5-117.44.8111.3P155 Q156P155-R597 HydrophobicContact CB-CB 4.17Å; P155-R597 PolarHBondContact O-NE 3.48Å; P155-R597 PolarHBondContact O-NH2 3.37Å; Q156-R597 PolarHBondContact O-NH2 2.83Å
598R40.1Very low34.8Very low232 Ų232118 Ų11888%0.87571%0.714SS**  trans-109.2163-159.6-65.3179.4170.6-154.8-1.4114.7
599M34Very low34.8Very low181 Ų181122.3 Ų122.389%0.89273%0.733SS**  146.1139.1129.9-76.2-65.8-8200110.7
600G30.9Very low34.5Very low72 Ų72126.5 Ų126.574%0.74275%0.752SS**  cis153.4114.3-9.800000113.6
601G27.8Very low34.1Very low79 Ų79131.9 Ų131.981%0.81477%0.774SS**  trans103.7121.6178.300000113
602A34.7Very low33.5Very low114 Ų114128.7 Ų128.794%0.94276%0.763SS**  cis101130.420.900000114.4
603G29.8Very low33.5Very low72 Ų72134 Ų13474%0.74278%0.781SS**  trans176.573.6-175.800000115.8
604N28.1Very low33.4Very low140 Ų140132.8 Ų132.875%0.74978%0.775SS**  trans37.3152.5154-6959.6000125.4
605E34.7Very low32.9Very low149 Ų149132.5 Ų132.570%0.69677%0.77SS**  trans-70157.1-174.659.6-74-16.600119.1
606S31.6Very low32.8Very low126 Ų126131.6 Ų131.688%0.88177%0.769SS**  trans-175.1146.313627.60000113.1
607G28.8Very low32.5Very low70 Ų70130 Ų13072%0.72277%0.767SS**  trans-121.5-146.3160.300000108.8
608P45.5Very low32.5Very low115 Ų115128.1 Ų128.175%0.74778%0.784SS**  cis-134-170.4-11.533.4-11.3000112.3
609N31.5Very low32Very low157 Ų157120.5 Ų120.584%0.8478%0.778SS**  165.8145.7125.9-85.8-10.9000114.3
610E31.7Very low32Very low185 Ų185119.5 Ų119.586%0.86477%0.773SS**  trans-94.4140.7166.8-63.7170.884.900111.8
611M33.3Very low32.3Very low178 Ų178122.7 Ų122.788%0.87777%0.77SS**  trans-166.8140.2137.5-139.2156.9-75.300107.9
612G30.2Very low32.5Very low57 Ų57127.9 Ų127.959%0.58877%0.77SS**  cis116.8132.77.600000110.2
613L33.9Very low32.6Very low157 Ų157133.7 Ų133.782%0.82277%0.768SS**  trans75.3153.3-176.2-51.4172.1000116.1
614Q29.7Very low33.5Very low143 Ų143135.8 Ų135.867%0.66877%0.768SS**  cis-167.5159.5-38.6-152.8-17284.600110.1
615Q31.2Very low33.6Very low145 Ų145132.2 Ų132.268%0.67877%0.765SS**  trans84.5136.3138.1-133.5-16898.900122.3
616N29.9Very low33.5Very low148 Ų148133.7 Ų133.779%0.79178%0.775SS**  trans74.6163.6143.5-114.8-38.1000120.9
617G31.3Very low33.5Very low59 Ų59131 Ų13161%0.60877%0.768SS**  trans-167.2-172.6-178.500000113.6
618A32.9Very low33.8Very low112 Ų112135.7 Ų135.793%0.92677%0.773SS**  trans58.2110.917600000117.6
619G31.2Very low33.1Very low72 Ų72138.6 Ų138.674%0.74278%0.777SS**  trans16498.7161.800000118.6
620M32.6Very low33.2Very low160 Ų160138.3 Ų138.379%0.78877%0.771SS**  56.5109.3127.2-62.1-95.7-95.700121.7
621M37.4Very low34.3Very low138 Ų138135.3 Ų135.368%0.6877%0.767SS**  trans76.5163.8135.1-58.7-168.3-66.700121.8
622F32.1Very low34.5Very low188 Ų188133.2 Ų133.283%0.82576%0.757SS**  trans88.2105.6165.4-60.6-72.8000121.4
623R37.4Very low35Very low237 Ų237142.6 Ų142.689%0.89477%0.774SS**  trans-73-177.7146.9-121-176.3179.3-144.82.5109.7
624P48Very low35.2Very low115 Ų115142.2 Ų142.275%0.74777%0.771SS**  cis-140.4-176.1-12.440.3-22.1000116.1
625G30.7Very low35.2Very low66 Ų66140.2 Ų140.268%0.6878%0.779SS**  trans113.9167.4138.700000118.4
626I31.7Very low35.2Very low179 Ų179136.6 Ų136.692%0.91878%0.781SS**  cis-163.8155-2022.3168.9000110.9
627G32.4Very low35.3Very low71 Ų71137.9 Ų137.973%0.73279%0.788SS**  trans102.1155.5162.200000116.4
628M35.6Very low35.4Very low167 Ų167138 Ų13882%0.82379%0.79SS**  cis-161.4154-5.2-106.1-60.8-164.900111.3
629Q30.8Very low35.6Very low176 Ų176141.5 Ų141.582%0.82279%0.786SS**  trans70.7126.2153.2-68.6165.122.600122.4
630E32.8Very low35.6Very low152 Ų152144.1 Ų144.171%0.7179%0.788SS**  trans-84.9170.7154.6-126.3-160.7107.700109.8M632E630-M632 PolarHBondContact OE1-N 3Å
631P55.5Low35.4Very low121 Ų121143.7 Ų143.779%0.78678%0.784SS**  -152.7148.955.639.2-17000120.4
632M37.8Very low35Very low134 Ų134142.1 Ų142.166%0.6678%0.782SS**  trans16.3130134.7-171.5-161-52.700122.2E630 I634E630-M632 PolarHBondContact OE1-N 3Å; M632-I634 HydrophobicContact CG-CD1 4.44Å
633R40.7Very low34.9Very low255 Ų255140.1 Ų140.196%0.96278%0.779SS**  trans-151.7167137.7-72.9-150.8-177.8-172.82.5112
634I36.8Very low34.6Very low148 Ų148136.5 Ų136.576%0.75977%0.772SS**  trans-138.5160.5-157.9-72.5164.8000112.3M632M632-I634 HydrophobicContact CG-CD1 4.44Å
635A31.3Very low33.9Very low101 Ų101136.5 Ų136.584%0.83578%0.775SS**  trans72.6149.4175.300000116.2
636G30.6Very low34.6Very low70 Ų70139.8 Ų139.872%0.72278%0.784SS**  cis151.1164.6-1.900000110.7
637D32.6Very low34.5Very low174 Ų174134.5 Ų134.593%0.9377%0.774SS**  cis-167176-11.6-142.8-67.9000109.9
638G31.6Very low34.6Very low62 Ų62139.2 Ų139.264%0.63978%0.779SS**  trans143.5127.9168.700000119.4
639H38Very low34.6Very low185 Ų185138.2 Ų138.286%0.85677%0.772SS**  trans-44.2166.4166.3-61.3-59.1000117.5
640V31.1Very low34.4Very low128 Ų128135.8 Ų135.878%0.77677%0.774SS**  cis-147.6145.55.3-1030000106.7
641Q29.5Very low34.4Very low151 Ų151135.8 Ų135.871%0.70678%0.775SS**  81.3103.550.3-82.9-69.91800118
642T27.3Very low33.5Very low104 Ų104138.6 Ų138.664%0.63878%0.775SS**  trans58.6164.114628.20000120.3
643L31.6Very low33Very low146 Ų146137.9 Ų137.976%0.76478%0.783SS**  cis-140.5151.224.5-71.3163.9000115.5
644H30Very low32.5Very low161 Ų161129.2 Ų129.275%0.74577%0.773SS**  trans14.9146.8139.2-55.791.7000125.1
645S34.3Very low32.3Very low116 Ų116129.4 Ų129.481%0.81178%0.776SS**  trans-74.7159.3153.3-33.90000113.4
646P43.6Very low32.6Very low134 Ų134133 Ų13387%0.8778%0.777SS**  trans-125.6179.5152.239.5-28.8000112.7
647G30.4Very low32.7Very low69 Ų69133 Ų13371%0.71178%0.778SS**  trans-173.2-177.8169.300000114.4
648M34.6Very low32.6Very low169 Ų169132.1 Ų132.183%0.83377%0.773SS**  trans88.7133.8166-56.4-63-9400121.1
649H36Very low32.9Very low146 Ų146136 Ų13668%0.67678%0.778SS**  trans93.7120138.4-88.2-148000123.9
650S26.1Very low32.7Very low125 Ų125132.1 Ų132.187%0.87477%0.772SS**  trans-165.9172.2133.7-84.80000111.6
651Q32.9Very low32.8Very low153 Ų153132.7 Ų132.772%0.71577%0.766SS**  -139.5152.4-128.9-100.2-172.9-25.100117.1
652F36.2Very low32.9Very low179 Ų179131 Ų13179%0.78576%0.759SS**  trans69.7141.1148.3-91.6-81.8000124.8
653S27.1Very low32.9Very low120 Ų120134.1 Ų134.184%0.83977%0.767SS**  trans68.9150.6153.9-60.60000120.7
654G31.4Very low32.9Very low72 Ų72132.5 Ų132.574%0.74277%0.768SS**  cis162.3152.7-13.100000116.6
655N31.9Very low33.7Very low153 Ų153131.1 Ų131.182%0.81877%0.773SS**  trans73177.2157.4-144.95.3000121.7
656M38.8Very low33.5Very low176 Ų176129 Ų12987%0.86777%0.77SS**  trans-119.7156-157.8-58.2170.2-81.200116
657G31.6Very low33Very low71 Ų71127.8 Ų127.873%0.73277%0.771SS**  trans158.9116.1161.400000113.1
658N31.2Very low33.2Very low155 Ų155128.1 Ų128.183%0.82977%0.774SS**  88.5166.383.4-145.6-74.6000114.1
659L37.3Very low33.2Very low144 Ų144124.1 Ų124.175%0.75478%0.776SS**  trans-81.9144.1-162.8-63.878.6000113.7
660S32.9Very low33.1Very low103 Ų103121 Ų12172%0.7278%0.784SS**  169.1142.3110.7-790000116.7
661Q34Very low33.5Very low140 Ų140124.1 Ų124.165%0.65478%0.784SS**  trans63.5120.3145.2-73.8-171.899.500123.3
662M32Very low34.4Very low114 Ų114122.1 Ų122.156%0.56278%0.784SS**  trans98.7120.9132.3-75.8178.417300121.9
663Q27.6Very low34.5Very low171 Ų171121.6 Ų121.680%0.79979%0.79SS**  trans74.390.2138.7-68.7174.3-16.100120.2
664S32Very low35Very low112 Ų112119.3 Ų119.378%0.78378%0.779SS**  -34.6152.1126.4-45.80000112.4
665P46.3Very low35.9Very low131 Ų131122 Ų12285%0.85178%0.782SS**  cis-151.117446.743.1-24.2000118.4
666G29.1Very low36Very low73 Ų73119.4 Ų119.475%0.75378%0.783SS**  trans132.5156139.600000116.7
667A32.7Very low35.7Very low108 Ų108116.2 Ų116.289%0.89377%0.766SS**  trans-45.8151.8177.900000115
668G35.7Very low36Very low75 Ų75122.5 Ų122.577%0.77377%0.767SS**  cis113.9141.86.600000112.7
669G35.1Very low36.3Very low86 Ų86123.3 Ų123.389%0.88776%0.759SS**  trans84.6148.2177.500000115.3
670G33.3Very low37.3Very low81 Ų81121.8 Ų121.884%0.83576%0.757SS**  trans96.885.615400000118.7
671H35.3Very low37.3Very low189 Ų189121.1 Ų121.188%0.87576%0.758SS**  trans-67.8175131.4-58.5-95000109.2
672P50.5Low37.1Very low111 Ų111120.7 Ų120.772%0.72176%0.76SS**  cis-136.1170.1-0.934.4-14.2000116.6
673N39Very low37Very low168 Ų168124.4 Ų124.490%0.89877%0.774SS**  trans52.6160.1144.8-72.18.7000124
674A36.7Very low37.6Very low73 Ų73122 Ų12260%0.60377%0.773SS**  trans-79.3167.3-176.900000114.3
675P51.8Low37.6Very low127 Ų127121 Ų12183%0.82577%0.771SS**  trans-113.2160.9-153.940.9-34.6000117.1
676A32.6Very low37.8Very low100 Ų100120.5 Ų120.583%0.82677%0.768SS**  trans-174.9158.5140.100000112.9
677E32.3Very low38.6Very low108 Ų108121.9 Ų121.951%0.50576%0.764SS.*  trans-150.7168.5170.1-73.8-160.9145.500108.2R679E677-R679 IonicContact OE1-CZ 3.66Å; E677-R679 IonicContact OE1-NH1 2.72Å; E677-R679 PolarHBondContact OE1-NH1 3.06Å; E677-R679 IonicContact OE1-NH2 3.22Å; E677-R679 PolarHBondContact OE1-NH2 3.04Å; E677-R679 IonicContact OE2-NH1 2.88Å; E677-R679 PolarHBondContact OE2-NH1 3.42Å
678R38.7Very low38.6Very low204 Ų204125.7 Ų125.777%0.7777%0.765SS**  cis-128.3170.822.2-89.782.4-149.3-1392.4110.6
679R37.7Very low38.3Very low172 Ų172125.4 Ų125.465%0.64976%0.762SS**  cis74.1152.237.1-82.8-150.5-146.581.416.5116.3E677E677-R679 IonicContact OE1-CZ 3.66Å; E677-R679 IonicContact OE1-NH1 2.72Å; E677-R679 PolarHBondContact OE1-NH1 3.06Å; E677-R679 IonicContact OE1-NH2 3.22Å; E677-R679 PolarHBondContact OE1-NH2 3.04Å; E677-R679 IonicContact OE2-NH1 2.88Å; E677-R679 PolarHBondContact OE2-NH1 3.42Å
680P57.3Low38.1Very low111 Ų111125.8 Ų125.872%0.72176%0.758SS**  cis-82.7-152.2-6.540.4-39.1000110.5
681A34.4Very low38Very low90 Ų90130.3 Ų130.374%0.74476%0.757SS**  cis-160.1169.13.700000109.5
682D28.6Very low38.6Very low130 Ų130126.2 Ų126.270%0.69575%0.747SS**  -165.4168.5-51-133.1-66.1000110.4
683F30.1Very low37.6Very low193 Ų193127 Ų12785%0.84675%0.75SS**  trans61.8154.5-174.4-74-85.6000117.7
684P40.8Very low37Very low119 Ų119128.1 Ų128.177%0.77375%0.747SS**  cis-122.3172.3-1140.5-27.3000114.7
685A32Very low37.6Very low91 Ų91129.5 Ų129.575%0.75275%0.75SS**  trans-147.6173.9156.400000107.1
686P50.3Low36.6Very low122 Ų122134.3 Ų134.379%0.79275%0.753SS**  cis-117.9-129.7-736.7-15.2000107.8
687P46.3Very low36.6Very low101 Ų101133.1 Ų133.166%0.65675%0.751SS**  cis-130.6-175.6-3033.8-13.5000114.8
688M31.3Very low36.6Very low188 Ų188131.9 Ų131.993%0.92677%0.766SS**  trans71.3156.6165.5-54.4-150.4-6200116.8
689G29.9Very low36.2Very low69 Ų69126.4 Ų126.471%0.71177%0.765SS**  cis149-179.3-6.900000113.4
690A31.8Very low36Very low95 Ų95125 Ų12579%0.78577%0.77SS**  trans71.6125.6-175.300000115.4
691Q31.1Very low34.9Very low175 Ų175129.2 Ų129.282%0.81877%0.772SS**  cis78154.945.1-61.9-89.8-1600112.8
692P46.6Very low35Very low104 Ų104133.7 Ų133.768%0.67578%0.777SS**  cis-131.2-144.8-27.336.6-18.1000111.5
693T29.9Very low34.9Very low126 Ų126130.6 Ų130.677%0.77378%0.776SS**  trans112.393146.6-38.70000119
694F27.5Very low35.4Very low193 Ų193127.5 Ų127.585%0.84678%0.776SS**  trans-72.3173.2141.4-77.7-85.3000110.3
695P48.6Very low35.5Very low101 Ų101126.2 Ų126.266%0.65677%0.767SS**  cis-133.2-178.4-26.335.4-17.4000112.8
696Y30.6Very low35.5Very low229 Ų229130 Ų13090%0.89877%0.769SS**  177.6144.4118.1-119.5-91.8000114.3
697G32.7Very low34.5Very low75 Ų75129.5 Ų129.577%0.77377%0.768SS**  trans75.2137.7163.400000116.4
698G32.1Very low34.2Very low81 Ų81129 Ų12984%0.83577%0.773SS**  cis-163.9148.2-7.200000109.6
699A29.6Very low34.6Very low89 Ų89126.3 Ų126.374%0.73677%0.77SS**  trans-96.9138.8-161.200000115.6
700N33.7Very low34.6Very low143 Ų143132.4 Ų132.477%0.76578%0.78SS**  trans-161.1118.9134.3-94.3-53.3000107.7
701R35.4Very low34.7Very low199 Ų199131.4 Ų131.475%0.75178%0.778SS**  63.7119.976.2-69.8-171.9-170.9-129.76.2111.5
702Q35.2Very low34.7Very low184 Ų184130.5 Ų130.586%0.8678%0.784SS**  cis-148.6171.12.8-72.8139.872.600107.7
703G28.2Very low34.1Very low65 Ų65131.2 Ų131.267%0.6779%0.792SS**  cis-178156.4-0.900000110.2
704P40Very low34Very low129 Ų129131.8 Ų131.884%0.83880%0.795SS**  trans-131.4-129.3-136.333.1-8.8000116.6
705P43.1Very low34.3Very low92 Ų92128.4 Ų128.460%0.59780%0.795SS**  -132.5-174.1-87.336.8-19.1000118.3
706H32.5Very low33.5Very low169 Ų169129.6 Ų129.678%0.78280%0.803SS**  trans92.6122.6146.6-67.2-39.9000123.7
707S29.1Very low33.6Very low112 Ų112122.1 Ų122.178%0.78380%0.796SS**  43.8133.4120.8-450000123.2
708A38.4Very low33.3Very low92 Ų92124.8 Ų124.876%0.7680%0.802SS**  trans-84.6170.4166.900000113.1
709P41.4Very low32.9Very low131 Ų131131.7 Ų131.785%0.85181%0.805SS**  -148.5-160.391.341.4-23.3000115
710Q29.9Very low34.1Very low197 Ų197132.7 Ų132.792%0.92180%0.804SS**  trans-86.9162.7-173.6-63.3178.8-19.300114.4
711G33.3Very low34.7Very low73 Ų73130.4 Ų130.475%0.75380%0.797SS**  trans-110.8-170.2-175.900000116.2
712V31.3Very low34.2Very low157 Ų157129 Ų12995%0.95280%0.799SS**  trans-151.3165.1171.2-840000110.7
713S34.2Very low34.1Very low118 Ų118123.8 Ų123.883%0.82578%0.783SS**  trans-103.6139-174.1-47.80000114.3
714T28.2Very low33.9Very low138 Ų138126.5 Ų126.585%0.84778%0.782SS**  trans-154.413715246.10000111.4
715S32.5Very low33.4Very low122 Ų122129.5 Ų129.585%0.85378%0.782SS**  trans-100.5144.3156-57.20000109.2
716P32.8Very low33.2Very low127 Ų127130 Ų13083%0.82579%0.786SS**  -138.3162.4113.338-28000112.5
717G32.4Very low33.2Very low71 Ų71128.1 Ų128.173%0.73279%0.792SS**  trans-117.8156175.200000112.8
718S25.8Very low33.2Very low131 Ų131126.4 Ų126.492%0.91679%0.791SS**  trans-160.6148.3162.3-82.20000112.5
719Y24.3Very low32.8Very low226 Ų226130.2 Ų130.289%0.88679%0.793SS**  trans-109.5-159.4-178.5-98.4-74.1000109.1
720P55.2Low32Very low111 Ų111133.7 Ų133.772%0.72179%0.79SS**  cis-111.6-55.1-20.627.1-23000124.4
721P46.1Very low31.8Very low95 Ų95129.5 Ų129.562%0.61778%0.782SS**  -115.8167.7-128.538.3-22.8000113.9
722Q25.2Very low31.5Very low168 Ų168130.9 Ų130.979%0.78578%0.78SS**  -168.916656.8-81.5-85-80.800108
723S31.4Very low31.2Very low76 Ų76129.5 Ų129.553%0.53177%0.772SS.*  cis-173.9161.8-24.2-103.40000109
724D25.7Very low30.8Very low122 Ų122129.2 Ų129.265%0.65277%0.769SS**  cis-132.5-113.6-3.1-147.1-110000111.8
725F28.9Very low30.8Very low192 Ų192131.5 Ų131.584%0.84277%0.768SS**  cis-149.5166.1-7.6-130.15.3000107.5
726P38.4Very low31Very low102 Ų102133.7 Ų133.766%0.66277%0.769SS**  -115.2147.3-129.540.2-35.5000117.9
727S32.7Very low30.7Very low130 Ų130131 Ų13191%0.90977%0.765SS**  trans178.3149.9139.943.80000108.6
728G29.6Very low30.6Very low75 Ų75132.2 Ų132.277%0.77377%0.767SS**  cis-173.6105.1-5.700000109.5
729Q28.5Very low30.8Very low173 Ų173133.9 Ų133.981%0.80877%0.765SS**  trans-31.8155.5175.9-72.1-148.924.600119.1
730R26.5Very low30.8Very low204 Ų204127.8 Ų127.877%0.7776%0.756SS**  cis-171.4157-11.5-125-171.8-170.1-113.22.1111.2
731S25.7Very low30.1Very low108 Ų108130.3 Ų130.376%0.75576%0.762SS**  trans70.7167.4160-40.30000116.3
732S26.1Very low29.2Very low103 Ų103128.5 Ų128.572%0.7276%0.761SS**  cis-157.5145.110.767.30000115.5
733V25.1Very low29.5Very low128 Ų128125.5 Ų125.578%0.77675%0.75SS**  trans29.1124.2154.8-77.50000125.2
734S25.7Very low29.5Very low111 Ų111130.6 Ų130.678%0.77676%0.763SS**  62.6136.1121.6-50.40000125.1
735K29Very low30.1Very low186 Ų186129.4 Ų129.481%0.80977%0.765SS**  121.2107.6119.9-157.4173.8-176.9-174.20119.2
736L35.6Very low30.2Very low168 Ų168130.3 Ų130.388%0.8877%0.768SS**  trans68.5148.5153.4-64.7171.7000120.8
737G27.3Very low30.4Very low72 Ų72132.1 Ų132.174%0.74278%0.778SS**  trans129.395.6-179.600000110.7
738A30.3Very low30.1Very low95 Ų95131.3 Ų131.379%0.78577%0.772SS**  95.9116.95400000113.4
739L29.7Very low31.1Very low167 Ų167133.4 Ų133.487%0.87478%0.775SS**  trans61.9115.8162.5-51.9178.5000120.1
740S25.1Very low31.9Very low98 Ų98133 Ų13369%0.68577%0.771SS**  174.4148.7111-77.50000113.6
741L39.7Very low33Very low163 Ų163129.5 Ų129.585%0.85377%0.767SS**  trans-89.8122.4173.5-85.8162.1000111.3
742G26.2Very low33.9Very low58 Ų58128.4 Ų128.460%0.59876%0.76SS**  trans-133.456.3-170.700000114.7F744G742-F744 PolarHBondContact O-N 3.5Å
743N33.3Very low35.2Very low104 Ų104129.2 Ų129.256%0.55676%0.76SS**  trans-50.7132.8172150.898.1000112.6S13S13-N743 WeakPolarHBondContact CB-O 3.03Å; S13-N743 WeakPolarHBondContact OG-CB 3.24Å; S13-N743 PolarHBondContact OG-ND2 3.42Å; S13-N743 PolarHBondContact OG-O 3.29Å
744F31.4Very low36.2Very low183 Ų183131.1 Ų131.180%0.80376%0.758SS**  trans-154.9138.9151.2-125.7-77.1000111.5G742G742-F744 PolarHBondContact O-N 3.5Å
745S38Very low37.5Very low98 Ų98127.4 Ų127.469%0.68574%0.738SS**  trans-75.7130.8-175.2-440000112.6
746K30.5Very low38.6Very low210 Ų210125.8 Ų125.891%0.91373%0.733SS**  trans-155.2121.9155.2-112.9167.9-173.7177.80111S748K746-S748 PolarHBondContact O-N 3.07Å
747T41.6Very low39.7Very low140 Ų140121.3 Ų121.386%0.85972%0.715SS**  trans-79.197.1177.945.90000110.6S749T747-S749 PolarHBondContact O-N 3.28Å
748S28.2Very low41.3Very low114 Ų114120.4 Ų120.480%0.79770%0.697SS**  trans-83.693.1165.1-167.70000109.1K746 K750K746-S748 PolarHBondContact O-N 3.07Å; S748-K750 VanDerWaalsContact C-N 3.32Å; S748-K750 PolarHBondContact O-N 2.97Å
749S49.1Very low43.3Very low119 Ų119121.7 Ų121.783%0.83269%0.69SS**  trans-8372.9-178.456.50000111.5T747T747-S749 PolarHBondContact O-N 3.28Å
750K45.7Very low45Very low165 Ų165116.3 Ų116.372%0.71767%0.67SS**  trans-145.3146.6168.4-130.8-173.4167.5-165.80112.1S748S748-K750 VanDerWaalsContact C-N 3.32Å; S748-K750 PolarHBondContact O-N 2.97Å
751D50.6Low47.1Very low130 Ų130114.4 Ų114.470%0.69566%0.66SS**  trans57.860.5159-50.2-40000117.3
752S44.1Very low49.2Very low85 Ų85112.3 Ų112.359%0.59465%0.649SS**  trans-131.143.1162.4-152.80000113.1F754 G755S752-F754 VanDerWaalsContact C-N 3.27Å; S752-F754 PolarHBondContact O-N 3.34Å; S752-G755 PolarHBondContact O-N 3.37Å
753V52.3Low51.3Low120 Ų120111.5 Ų111.573%0.72763%0.634SS**Hα-helixtrans-62.1-31175.8-88.60000113.1S757V753-S757 WeakPolarHBondContact O-CB 3.41Å; V753-S757 PolarHBondContact O-N 3.07Å
754F46.3Very low53.5Low167 Ų167110 Ų11073%0.73263%0.629SS**Hα-helixtrans-65.6-42.8179.7-165.7-100.2000112.7S752 S757 C758S752-F754 VanDerWaalsContact C-N 3.27Å; S752-F754 PolarHBondContact O-N 3.34Å; F754-S757 PolarHBondContact O-N 3.09Å; F754-C758 PolarHBondContact O-N 3.34Å; F754-C758 PolarHBondContact O-SG 2.89Å
755G54.5Low55.3Low34 Ų34104 Ų10435%0.35161%0.613SS.*Hα-helixtrans-68.1-39.5179.400000113.2S752 L759S752-G755 PolarHBondContact O-N 3.37Å; G755-L759 PolarHBondContact O-N 3.05Å
756Q51.2Low56.7Low151 Ų151102.7 Ų102.771%0.70660%0.603SS**Hα-helixtrans-70.5-37.2173.7-65.7-168.521.700112.1L759 A760Q756-L759 PolarHBondContact O-N 3.04Å; Q756-A760 WeakPolarHBondContact O-CB 2.86Å; Q756-A760 PolarHBondContact O-N 3Å
757S59.6Low58.5Low74 Ų7498.1 Ų98.152%0.51759%0.585SS.*Hα-helixtrans-59.9-46.3174-175.40000111.7V753 F754 L759 A760 A761V753-S757 WeakPolarHBondContact O-CB 3.41Å; V753-S757 PolarHBondContact O-N 3.07Å; F754-S757 PolarHBondContact O-N 3.09Å; S757-L759 PolarHBondContact O-N 2.96Å; S757-A760 PolarHBondContact O-N 3.2Å; S757-A761 WeakPolarHBondContact O-CB 3.49Å; S757-A761 PolarHBondContact O-N 3.29Å
758C59.5Low59.7Low53 Ų5396 Ų9636%0.35857%0.569SS.*Hα-helixtrans-62.5-42.8177.7-65.70000112.5F754 A761 L762F754-C758 PolarHBondContact O-N 3.34Å; F754-C758 PolarHBondContact O-SG 2.89Å; C758-A761 PolarHBondContact O-N 3.47Å; C758-L762 WeakPolarHBondContact O-CB 3.01Å; C758-L762 VanDerWaalsContact O-CG 3.31Å; C758-L762 WeakPolarHBondContact O-CG 3.38Å; C758-L762 PolarHBondContact O-N 3.34Å
759L72.9Confident61.8Low123 Ų12397 Ų9764%0.64456%0.562SS**Hα-helixtrans-67.6-35.8176.1-77.6168.1000112.8G755 Q756 S757 S763G755-L759 PolarHBondContact O-N 3.05Å; Q756-L759 PolarHBondContact O-N 3.04Å; S757-L759 PolarHBondContact O-N 2.96Å; L759-S763 VanDerWaalsContact O-CB 3.28Å; L759-S763 WeakPolarHBondContact O-CB 2.67Å; L759-S763 PolarHBondContact O-N 2.95Å
760A65.1Low62.6Low54 Ų5493.4 Ų93.445%0.44653%0.533SS..Hα-helixtrans-67-44.7173.100000111.5Q756 S757 S763 T764Q756-A760 WeakPolarHBondContact O-CB 2.86Å; Q756-A760 PolarHBondContact O-N 3Å; S757-A760 PolarHBondContact O-N 3.2Å; A760-S763 WeakPolarHBondContact O-CB 2.68Å; A760-S763 PolarHBondContact O-N 3.31Å; A760-T764 PolarHBondContact O-N 3.19Å; A760-T764 PolarHBondContact O-OG1 3.49Å; A760-T764 VanDerWaalsContact O-OG1 3.05Å
761A68.4Low63Low58 Ų5889 Ų8948%0.47953%0.528SS..Hα-helixtrans-62.3-44177.200000112.1S757 C758 T764 A765S757-A761 WeakPolarHBondContact O-CB 3.49Å; S757-A761 PolarHBondContact O-N 3.29Å; C758-A761 PolarHBondContact O-N 3.47Å; A761-T764 PolarHBondContact O-N 3.33Å; A761-A765 VanDerWaalsContact O-CB 3.31Å; A761-A765 WeakPolarHBondContact O-CB 3.38Å; A761-A765 PolarHBondContact O-N 2.96Å
762L84.6Confident63.1Low118 Ų11888 Ų8862%0.61853%0.531SS*.Hα-helixtrans-63.2-40.2173.8-74.7165.6000112C758 A765 C766C758-L762 WeakPolarHBondContact O-CB 3.01Å; C758-L762 VanDerWaalsContact O-CG 3.31Å; C758-L762 WeakPolarHBondContact O-CG 3.38Å; C758-L762 PolarHBondContact O-N 3.34Å; L762-A765 PolarHBondContact O-N 3.3Å; L762-C766 VanDerWaalsContact O-CB 3.28Å; L762-C766 WeakPolarHBondContact O-CB 3.44Å; L762-C766 PolarHBondContact O-N 3.27Å
763S71.1Confident63.6Low41 Ų4190.3 Ų90.329%0.28754%0.536SS..Hα-helixtrans-64.4-42.5175.3-172.90000112.2L759 A760 C766 Q767L759-S763 VanDerWaalsContact O-CB 3.28Å; L759-S763 WeakPolarHBondContact O-CB 2.67Å; L759-S763 PolarHBondContact O-N 2.95Å; A760-S763 WeakPolarHBondContact O-CB 2.68Å; A760-S763 PolarHBondContact O-N 3.31Å; S763-C766 PolarHBondContact O-N 2.81Å; S763-Q767 WeakPolarHBondContact O-CB 2.99Å; S763-Q767 VanDerWaalsContact O-CG 3.31Å; S763-Q767 WeakPolarHBondContact O-CG 3.26Å; S763-Q767 PolarHBondContact O-N 3.38Å; S763-Q767 PolarHBondContact O-NE2 3.33Å; S763-Q767 VanDerWaalsContact O-NE2 3.12Å; S763-Q767 PolarHBondContact OG-NE2 2.79Å
764T78.5Confident63.4Low74 Ų7487.7 Ų87.745%0.45453%0.533SS..Hα-helixtrans-68-41.4175.9-58.70000111.7A760 A761 C766 Q767 N768A760-T764 PolarHBondContact O-N 3.19Å; A760-T764 PolarHBondContact O-OG1 3.49Å; A760-T764 VanDerWaalsContact O-OG1 3.05Å; A761-T764 PolarHBondContact O-N 3.33Å; T764-C766 PolarHBondContact O-N 3.43Å; T764-Q767 PolarHBondContact O-N 3.04Å; T764-N768 WeakPolarHBondContact O-CB 3.14Å; T764-N768 PolarHBondContact O-N 2.72Å; T764-N768 PolarHBondContact O-OD1 2.82Å
765A68.6Low63.2Low56 Ų5682 Ų8246%0.46352%0.517SS..Hα-helixtrans-62.5-42175.600000111.8A761 L762 N768 M769A761-A765 VanDerWaalsContact O-CB 3.31Å; A761-A765 WeakPolarHBondContact O-CB 3.38Å; A761-A765 PolarHBondContact O-N 2.96Å; L762-A765 PolarHBondContact O-N 3.3Å; A765-N768 PolarHBondContact O-N 3.08Å; A765-M769 WeakPolarHBondContact O-CB 3.23Å; A765-M769 PolarHBondContact O-N 3.43Å
766C68.6Low62.7Low70 Ų7085.5 Ų85.547%0.47353%0.533SS..Hα-helixtrans-66.4-43.1175.6-169.80000112L762 S763 T764 N768 M769 I770L762-C766 VanDerWaalsContact O-CB 3.28Å; L762-C766 WeakPolarHBondContact O-CB 3.44Å; L762-C766 PolarHBondContact O-N 3.27Å; S763-C766 PolarHBondContact O-N 2.81Å; T764-C766 PolarHBondContact O-N 3.43Å; C766-N768 PolarHBondContact O-N 2.85Å; C766-M769 PolarHBondContact O-N 3.04Å; C766-I770 VanDerWaalsContact O-CG1 3.31Å; C766-I770 WeakPolarHBondContact O-CG1 3.32Å; C766-I770 PolarHBondContact O-N 3.28Å
767Q68.2Low62.3Low114 Ų11484.4 Ų84.453%0.53353%0.532SS..Hα-helixtrans-62.6-40.7173.9-77.117076.500112.5S763 T764 I770 A771S763-Q767 WeakPolarHBondContact O-CB 2.99Å; S763-Q767 VanDerWaalsContact O-CG 3.31Å; S763-Q767 WeakPolarHBondContact O-CG 3.26Å; S763-Q767 PolarHBondContact O-N 3.38Å; S763-Q767 PolarHBondContact O-NE2 3.33Å; S763-Q767 VanDerWaalsContact O-NE2 3.12Å; S763-Q767 PolarHBondContact OG-NE2 2.79Å; T764-Q767 PolarHBondContact O-N 3.04Å; Q767-I770 PolarHBondContact O-N 3.42Å; Q767-A771 WeakPolarHBondContact O-CB 3.27Å; Q767-A771 PolarHBondContact O-N 2.94Å
768N66.5Low61.6Low97 Ų9786.3 Ų86.352%0.51954%0.536SS..Hα-helixtrans-67.1-39.6176.2-71.7-3.6000111.5T764 A765 C766 A771 S772T764-N768 WeakPolarHBondContact O-CB 3.14Å; T764-N768 PolarHBondContact O-N 2.72Å; T764-N768 PolarHBondContact O-OD1 2.82Å; A765-N768 PolarHBondContact O-N 3.08Å; C766-N768 PolarHBondContact O-N 2.85Å; N768-A771 PolarHBondContact O-N 3.12Å; N768-S772 WeakPolarHBondContact O-CB 3.45Å; N768-S772 PolarHBondContact O-N 3.43Å; N768-S772 PolarHBondContact O-OG 3Å; N768-S772 VanDerWaalsContact O-OG 3.1Å
769M72.4Confident60.7Low133 Ų13390.2 Ų90.266%0.65555%0.553SS**Hα-helixtrans-61.5-43.7173.1-174.3-180-73.100111.6A765 C766 A771 S772 L773A765-M769 WeakPolarHBondContact O-CB 3.23Å; A765-M769 PolarHBondContact O-N 3.43Å; C766-M769 PolarHBondContact O-N 3.04Å; M769-A771 VanDerWaalsContact C-N 3.34Å; M769-A771 PolarHBondContact O-N 3.45Å; M769-S772 PolarHBondContact O-N 2.98Å; M769-L773 HydrophobicContact CG-CD1 4.45Å; M769-L773 WeakPolarHBondContact O-CG 3.39Å; M769-L773 PolarHBondContact O-N 3.1Å
770I65.3Low59Low45 Ų4588.9 Ų88.923%0.23155%0.55CS.*Hα-helixtrans-63.1-38.7174.8-70.8164.4000111.6C766 Q767 L773 L778C766-I770 VanDerWaalsContact O-CG1 3.31Å; C766-I770 WeakPolarHBondContact O-CG1 3.32Å; C766-I770 PolarHBondContact O-N 3.28Å; Q767-I770 PolarHBondContact O-N 3.42Å; I770-L773 PolarHBondContact O-N 2.87Å; I770-L778 HydrophobicContact CG2-CB 4.16Å; I770-L778 HydrophobicContact CG2-CD1 4.08Å
771A54.2Low57.8Low73 Ų7391.6 Ų91.660%0.60356%0.561SS**Hα-helixtrans-67.2-41.8175.700000112.2Q767 N768 M769 L773 G774Q767-A771 WeakPolarHBondContact O-CB 3.27Å; Q767-A771 PolarHBondContact O-N 2.94Å; N768-A771 PolarHBondContact O-N 3.12Å; M769-A771 VanDerWaalsContact C-N 3.34Å; M769-A771 PolarHBondContact O-N 3.45Å; A771-L773 PolarHBondContact O-N 3.26Å; A771-G774 PolarHBondContact O-N 3.36Å; A771-G774 VanDerWaalsContact O-N 3.09Å
772S52.7Low56.3Low109 Ų10997 Ų9776%0.76257%0.574SS**Hα-helixtrans-64.4-25.3174.7-640000113.4N768 M769 G774N768-S772 WeakPolarHBondContact O-CB 3.45Å; N768-S772 PolarHBondContact O-N 3.43Å; N768-S772 PolarHBondContact O-OG 3Å; N768-S772 VanDerWaalsContact O-OG 3.1Å; M769-S772 PolarHBondContact O-N 2.98Å; S772-G774 PolarHBondContact O-N 3.32Å
773L55.8Low53.6Low133 Ų13398.8 Ų98.870%0.69659%0.585SS**THydrogen-bonded Turntrans-78.44.7173.6-71.3167.7000113.8M769 I770 A771 A775M769-L773 HydrophobicContact CG-CD1 4.45Å; M769-L773 WeakPolarHBondContact O-CG 3.39Å; M769-L773 PolarHBondContact O-N 3.1Å; I770-L773 PolarHBondContact O-N 2.87Å; A771-L773 PolarHBondContact O-N 3.26Å; L773-A775 VanDerWaalsContact C-N 3.26Å; L773-A775 PolarHBondContact O-N 2.94Å; L773-A775 VanDerWaalsContact O-N 3.13Å
774G48.6Very low51.9Low64 Ų64105 Ų10566%0.6661%0.606SS**THydrogen-bonded Turntrans68.913.1166.500000116.2A771 S772 P776A771-G774 PolarHBondContact O-N 3.36Å; A771-G774 VanDerWaalsContact O-N 3.09Å; S772-G774 PolarHBondContact O-N 3.32Å; G774-P776 VanDerWaalsContact O-CD 3.26Å; G774-P776 WeakPolarHBondContact O-CD 3.26Å
775A40.8Very low49.8Very low48 Ų48110 Ų11040%0.39762%0.622SS.*  trans-102.495.7-17700000111.9L773 N777L773-A775 VanDerWaalsContact C-N 3.26Å; L773-A775 PolarHBondContact O-N 2.94Å; L773-A775 VanDerWaalsContact O-N 3.13Å; A775-N777 PolarHBondContact O-N 2.91Å
776P43.6Very low48Very low107 Ų107114 Ų11470%0.69564%0.635SS**THydrogen-bonded Turntrans-79.825-163.834.4-39.9000115.6G774G774-P776 VanDerWaalsContact O-CD 3.26Å; G774-P776 WeakPolarHBondContact O-CD 3.26Å
777N43.7Very low46Very low128 Ų128118 Ų11868%0.68465%0.647SS**THydrogen-bonded Turntrans-155.646.8-174.3-92.6-45.9000114.8A775A775-N777 PolarHBondContact O-N 2.91Å
778L43.9Very low44.3Very low114 Ų114119.6 Ų119.660%0.59766%0.659SS**  trans-98.988.1165.4-69.7-176.8000111.4I770 V780I770-L778 HydrophobicContact CG2-CB 4.16Å; I770-L778 HydrophobicContact CG2-CD1 4.08Å; L778-V780 PolarHBondContact O-N 3.49Å
779N40.8Very low42.6Very low136 Ų136124.5 Ų124.573%0.72768%0.679SS**  trans-82.576.4-176.4-17287.5000112.4T781N779-T781 PolarHBondContact O-N 2.84Å
780V38.8Very low41Very low95 Ų95121.7 Ų121.758%0.57669%0.685SS**  trans-78.782.6-179.4-173.30000111.7L778 F782L778-V780 PolarHBondContact O-N 3.49Å; V780-F782 HydrophobicContact CG1-CD2 4.33Å; V780-F782 HydrophobicContact CG1-CE2 3.97Å; V780-F782 HydrophobicContact CG1-CZ 4.3Å; V780-F782 PolarHBondContact O-N 3.43Å
781T39.9Very low39.5Very low110 Ų110129.7 Ų129.768%0.67572%0.717SS**  trans-78103.3171.641.50000111.8N779 N783N779-T781 PolarHBondContact O-N 2.84Å; T781-N783 PolarHBondContact O-N 2.93Å
782F35.1Very low39Very low172 Ų172138.1 Ų138.175%0.75473%0.734SS**  trans-63.996.6171.7-76.3-86000111.7V780 K784V780-F782 HydrophobicContact CG1-CD2 4.33Å; V780-F782 HydrophobicContact CG1-CE2 3.97Å; V780-F782 HydrophobicContact CG1-CZ 4.3Å; V780-F782 PolarHBondContact O-N 3.43Å; F782-K784 VanDerWaalsContact C-N 3.33Å; F782-K784 PolarHBondContact O-N 3.37Å
783N28Very low38.1Very low156 Ų156142.2 Ų142.283%0.83474%0.738SS**  trans-76.977-177.1-167.630.9000112.1T781 K785T781-N783 PolarHBondContact O-N 2.93Å; N783-K785 PolarHBondContact O-N 2.94Å
784K36.5Very low36.7Very low172 Ų172143.1 Ų143.175%0.74874%0.742SS**  trans-6893.1-178.9-173.8176179.7176.40111.6F782 N786F782-K784 VanDerWaalsContact C-N 3.33Å; F782-K784 PolarHBondContact O-N 3.37Å; K784-N786 VanDerWaalsContact C-N 3.32Å; K784-N786 PolarHBondContact O-N 3.5Å
785K35.2Very low35.7Very low179 Ų179144.6 Ų144.678%0.77874%0.743SS**  trans-65.583.3171.3-175.4-164.2172.8-173.60111.3N783N783-K785 PolarHBondContact O-N 2.94Å
786N29.5Very low35Very low139 Ų139150.3 Ų150.374%0.74376%0.761SS**  trans-97.1140154.1-918.9000109.2K784K784-N786 VanDerWaalsContact C-N 3.32Å; K784-N786 PolarHBondContact O-N 3.5Å
787Q27.8Very low34.4Very low154 Ų154150.7 Ų150.772%0.7276%0.762SS**  trans-110.7140.4-173.1-178.7175.1-8.900109.9
788N30.7Very low33.9Very low147 Ų147153.1 Ų153.179%0.78677%0.769SS**  trans57.5111-178-717.1000116.3
789E31.9Very low33.2Very low200 Ų200155.4 Ų155.494%0.93578%0.777SS**  -145152.1108.8-117170.4-170.700110.4
790G38.1Very low32.5Very low75 Ų75154.3 Ų154.377%0.77377%0.771SS**  trans-90.3138.2-159.100000114.8R792G790-R792 PolarHBondContact O-N 3.49Å
791K34.6Very low32.2Very low212 Ų212156.2 Ų156.292%0.92278%0.776SS**  trans-62.8121.5168-67.5179-179.6176.30111
792R42.5Very low31.5Very low250 Ų250157.5 Ų157.594%0.94378%0.779SS**  trans-144.9159.1142.3-111.9-178.5-73.9-145.73.4109.5G790G790-R792 PolarHBondContact O-N 3.49Å
793K33.8Very low31Very low196 Ų196154 Ų15485%0.85278%0.776SS**  trans-109159.8-169.6-74-173170.8-171.60112.2
794L26.8Very low30.9Very low151 Ų151151.5 Ų151.579%0.79177%0.771SS**  trans84.9135144-135.274.3000118.5
795S26.9Very low30.5Very low95 Ų95149.4 Ų149.466%0.66477%0.772SS**  trans51142.6141.3540000121.8
796Q27.9Very low30.2Very low168 Ų168145.4 Ų145.479%0.78577%0.767SS**  cis-173.3150.8-14.3-172.4-177.5-14.700108.6
797T31.1Very low30.3Very low116 Ų116145.6 Ų145.671%0.71277%0.768SS**  trans64.3-179.1164.426.80000117.5
798E32.4Very low30.4Very low178 Ų178139.8 Ų139.883%0.83275%0.749SS**  trans-114.6178.7-141.1-70162.9101.600115.9
799Q28.4Very low30.3Very low162 Ų162137.2 Ų137.276%0.75774%0.739SS**  trans-41162.8171.3-75.7172.6-80.300117
800D27.5Very low30.2Very low113 Ų113131.1 Ų131.160%0.60473%0.73SS**  cis-160.917111-129.5-30.8000116.1
801I31.2Very low29.8Very low135 Ų135133.8 Ų133.869%0.69274%0.737SS**  trans66.4125.2145.2-73.7158.7000123.3
802N25.8Very low29.4Very low138 Ų138128.1 Ų128.174%0.73873%0.73SS**  trans82.1105.8149.1-95.6-32.8000125.4
803S24.5Very low29.2Very low98 Ų98119.9 Ų119.969%0.68572%0.723SS**  78141.6117.1-71.50000125.3
804S26.4Very low29.3Very low103 Ų103115.7 Ų115.772%0.7272%0.715SS**  trans81104.2151.925.80000123.4
805T27.5Very low29.4Very low128 Ų128116.1 Ų116.179%0.78571%0.713SS**  73.4126.2126.653.80000125.5
806S30.1Very low29.5Very low96 Ų96121.4 Ų121.467%0.67172%0.72SS**  trans75.1114131.263.40000125.6
807N29.6Very low29.6Very low142 Ų142121.8 Ų121.876%0.75972%0.719SS**  30149.5125.9-72.620.2000125.3S820N807-S820 CarbonylContact C-O 3.56Å
808G31.6Very low29.4Very low32 Ų32124.2 Ų124.233%0.3372%0.723SS.*  trans131.295.6142.600000117.1S819 S820 A821G808-S819 CarbonylContact O-C 3.6Å; G808-S820 CarbonylContact C-O 3.28Å; G808-S820 PolarHBondContact N-O 2.89Å; G808-S820 CarbonylContact O-C 2.99Å; G808-S820 VanDerWaalsContact O-CA 3.32Å; G808-S820 WeakPolarHBondContact O-CA 3.42Å; G808-S820 PolarHBondContact O-N 3.28Å; G808-A821 PolarHBondContact N-O 2.87Å; G808-A821 PolarHBondContact O-N 2.94Å
809T28.9Very low29Very low94 Ų94120.7 Ų120.758%0.57772%0.717SS**  trans-74.3151.1176.34.40000114.6S822T809-S822 VanDerWaalsContact OG1-C 3.31Å; T809-S822 WeakPolarHBondContact OG1-CA 3.33Å; T809-S822 VanDerWaalsContact OG1-CB 3.26Å; T809-S822 WeakPolarHBondContact OG1-CB 3.31Å; T809-S822 PolarHBondContact OG1-N 2.91Å; T809-S822 PolarHBondContact OG1-O 3.41Å
810G28.5Very low29Very low71 Ų71115.9 Ų115.973%0.73270%0.702SS**  trans-175.5144.4158.600000112.7
811S30.6Very low29.1Very low132 Ų132113.8 Ų113.892%0.92370%0.7SS**  trans-107.3128.2174.3-62.30000110.9
812A26.6Very low28.8Very low93 Ų93110.6 Ų110.677%0.76969%0.69SS**  trans-156.6134.6154.200000109.4
813G38.3Very low28.8Very low77 Ų77112.7 Ų112.779%0.79470%0.695SS**  trans-86.1127.4145.600000105.9
814P34.6Very low28.9Very low108 Ų108114.6 Ų114.670%0.70170%0.698SS**SBend-121.2-15171.241-34.6000112.4
815E28.8Very low28.9Very low159 Ų159114.1 Ų114.174%0.74370%0.695SS**SBendtrans-64.7152.3178.9-61.990.3153.900114
816Y29.2Very low28.8Very low206 Ų206116.9 Ų116.981%0.80870%0.699SS**  trans81.3124.1168.6-69.5-86.4000121
817F30.2Very low28.8Very low177 Ų177120.8 Ų120.878%0.77671%0.708SS**  trans68.9116.1155.6-68.8-68.8000124
818Q26.1Very low29.3Very low167 Ų167120 Ų12078%0.7871%0.711SS**  trans60.4114.5138.3-75.1-179.2-28.200124.9
819S24.8Very low29.1Very low103 Ų103121.2 Ų121.272%0.7272%0.724SS**  68.4150.4127.3-56.80000123G808G808-S819 CarbonylContact O-C 3.6Å
820S28.6Very low29.2Very low61 Ų61122.1 Ų122.143%0.42773%0.729SS.*  cis-174106.4-28.951.40000115.9N807 G808N807-S820 CarbonylContact C-O 3.56Å; G808-S820 CarbonylContact C-O 3.28Å; G808-S820 PolarHBondContact N-O 2.89Å; G808-S820 CarbonylContact O-C 2.99Å; G808-S820 VanDerWaalsContact O-CA 3.32Å; G808-S820 WeakPolarHBondContact O-CA 3.42Å; G808-S820 PolarHBondContact O-N 3.28Å
821A29.1Very low29.2Very low70 Ų70120.8 Ų120.858%0.57972%0.715SS**  trans72124158.100000124.1G808G808-A821 PolarHBondContact N-O 2.87Å; G808-A821 PolarHBondContact O-N 2.94Å
822S26.2Very low29.3Very low67 Ų67118.3 Ų118.347%0.46969%0.692SS.*  trans175.7141.6161.4-83.50000117.2T809T809-S822 VanDerWaalsContact OG1-C 3.31Å; T809-S822 WeakPolarHBondContact OG1-CA 3.33Å; T809-S822 VanDerWaalsContact OG1-CB 3.26Å; T809-S822 WeakPolarHBondContact OG1-CB 3.31Å; T809-S822 PolarHBondContact OG1-N 2.91Å; T809-S822 PolarHBondContact OG1-O 3.41Å
823Q25.7Very low29.5Very low183 Ų183116.6 Ų116.686%0.85567%0.674SS**  trans12.2133.2160.3-67.5-1651.200127.8
824N25.3Very low29.1Very low138 Ų138118.1 Ų118.174%0.73866%0.664SS**  79.8128.5124.6-167.225.3000123.9
825S26.6Very low28.9Very low93 Ų93116.7 Ų116.765%0.6566%0.657SS**  trans67.2152.7163.3-70.50000117.4
826Q25Very low28.8Very low186 Ų186114.7 Ų114.787%0.86965%0.645SS**  cis-149.9172.88.7-133.4160.3-1.100111.2
827M31.4Very low29.2Very low178 Ų178109.9 Ų109.988%0.87764%0.639SS**  trans-79.6175176.8-65.5-141.1-58.900113.3
828P39.8Very low29.1Very low125 Ų125105 Ų10581%0.81262%0.624SS**  cis-125.8-163.53.544.2-27.7000113.4
829G27.9Very low29.2Very low58 Ų58101.6 Ų101.660%0.59862%0.618SS**  cis139154.9-11.900000115.4
830T29.1Very low29.4Very low113 Ų113102.7 Ų102.769%0.69361%0.612SS**  trans71.714717668.40000119.7S58S58-T830 CarbonylContact O-C 2.8Å
831G30.3Very low29.3Very low43 Ų43101.3 Ų101.344%0.44360%0.603SS.*  trans-171.7-29.1172.500000121.7S58 Q59S58-G831 PolarHBondContact O-N 3.45Å; Q59-G831 PolarHBondContact NE2-O 2.97Å
832N31.2Very low29.1Very low80 Ų80106 Ų10643%0.42861%0.613SS.*  trans78152.8168.4-139.7-5.8000121.1S58 Q59S58-N832 VanDerWaalsContact C-N 3.31Å; S58-N832 PolarHBondContact O-N 3.09Å; S58-N832 VanDerWaalsContact OG-CB 3.32Å; S58-N832 WeakPolarHBondContact OG-CB 3.46Å; S58-N832 VanDerWaalsContact OG-CG 3.3Å; S58-N832 PolarHBondContact OG-ND2 3.28Å; Q59-N832 VanDerWaalsContact CA-CA 3.47Å; Q59-N832 VanDerWaalsContact CA-N 3.31Å; Q59-N832 PolarHBondContact NE2-O 3.47Å
833S31.6Very low29Very low57 Ų57108.4 Ų108.440%0.39963%0.625SS.*  trans32.1150.4154.265.40000123.2M60M60-S833 WeakPolarHBondContact CE-O 3.44Å; M60-S833 WeakPolarHBondContact CG-O 3.44Å
834N29.5Very low29Very low109 Ų109104.9 Ų104.958%0.58362%0.616SS**  cis-161.9166.718.4-160.50.6000113.9L61L61-N834 HydrophobicContact CD1-CB 4.49Å; L61-N834 WeakPolarHBondContact CD1-OD1 3.06Å
835S31Very low29Very low78 Ų78107.3 Ų107.355%0.54562%0.622SS.*  trans54.6101.8147.4580000124.3
836K25.9Very low29.2Very low116 Ų116106 Ų10650%0.50462%0.623SS.*  6.9155.4122.6-54.1178.2-168.3-164.40119.4G62 L63 N64G62-K836 VanDerWaalsContact O-CG 3.27Å; G62-K836 WeakPolarHBondContact O-CG 3.02Å; L63-K836 WeakPolarHBondContact O-CE 3.28Å; L63-K836 PolarHBondContact O-NZ 3.47Å; N64-K836 HydrophobicContact CB-CD 4.07Å
837P37.5Very low29.3Very low105 Ų105106 Ų10668%0.68262%0.624SS**  cis-150.618029.444.1-23.7000120.1
838V27.8Very low29.2Very low76 Ų76102.1 Ų102.146%0.46162%0.619SS.*  trans83.795.9142.8155.10000121.6N66N66-V838 HydrophobicContact CB-CB 3.85Å; N66-V838 HydrophobicContact CB-CG1 3.78Å; N66-V838 HydrophobicContact CB-CG2 3.46Å; N66-V838 VanDerWaalsContact CB-CG2 3.46Å
839S28.3Very low28.7Very low94 Ų94101.6 Ų101.666%0.65762%0.619SS**  trans-162.3149.7163.6-33.10000115.1N66 M67N66-S839 VanDerWaalsContact C-CA 3.46Å; N66-S839 CarbonylContact C-O 3.2Å; N66-S839 VanDerWaalsContact C-O 3.28Å; N66-S839 PolarHBondContact N-O 2.65Å; N66-S839 CarbonylContact O-C 3.18Å; M67-S839 VanDerWaalsContact N-C 3.34Å
840Q29.8Very low28.8Very low127 Ų127102.9 Ų102.959%0.59362%0.624SS**  trans-142170.3178.9-94.5-138.566.700108.5N66 M67 N68N66-Q840 WeakPolarHBondContact O-CA 3.37Å; N66-Q840 WeakPolarHBondContact O-CB 3.45Å; N66-Q840 WeakPolarHBondContact O-CG 3.16Å; N66-Q840 PolarHBondContact O-N 3.42Å; M67-Q840 PolarHBondContact O-N 3.01Å; N68-Q840 PolarHBondContact N-O 3.02Å
841S25.4Very low28.9Very low32 Ų32104.9 Ų104.922%0.22463%0.629CS.*  89.5116.3122.649.10000118.7N68N68-S841 VanDerWaalsContact CA-OG 3.26Å; N68-S841 WeakPolarHBondContact CA-OG 3.42Å; N68-S841 PolarHBondContact N-OG 3.11Å; N68-S841 PolarHBondContact OD1-OG 3.41Å
842Q25.3Very low28.7Very low168 Ų168107.9 Ų107.979%0.78564%0.643SS**  trans66.1120.2151-64.6-176.2-7.400113.1
843T25.6Very low29.4Very low118 Ų118109 Ų10972%0.72466%0.655SS**  cis-167.2173.816-90000111.4
844V25.5Very low29.2Very low109 Ų109113.8 Ų113.866%0.66168%0.676SS**  trans74.4129.4139.9159.50000120.4
845Q24.8Very low29.1Very low188 Ų188117.9 Ų117.988%0.87969%0.685SS**  trans64.9169.5153.7-77.3164.8-21.200120.8
846G29.5Very low28.9Very low65 Ų65120 Ų12067%0.6769%0.69SS**  trans79.869.9177.700000113.5
847E27.4Very low29Very low188 Ų188121.7 Ų121.788%0.87970%0.702SS**  56.113572.2-61.6-148.8142.600116.3
848A30Very low28.7Very low95 Ų95123.9 Ų123.979%0.78571%0.708SS**  trans54.584.3158.300000119.5
849S29.2Very low28.8Very low115 Ų115124.2 Ų124.280%0.80472%0.718SS**  -172.3137.9116.1-81.40000109.4
850A29.1Very low29.2Very low85 Ų85125.9 Ų125.970%0.70273%0.725SS**  cis64.8119.849.100000111.1
851L31.6Very low29.8Very low155 Ų155125.7 Ų125.781%0.81273%0.734SS**  cis-133.4154.64.2-68.2170.4000106.7
852S27.6Very low30.1Very low105 Ų105130.3 Ų130.373%0.73477%0.765SS**  44.4146.570.8-62.10000115
853P44Very low30.5Very low103 Ų103128.5 Ų128.567%0.66977%0.771SS**  cis-132175.6-17.840.1-24.9000113.5
854N28.5Very low30.9Very low158 Ų158132.6 Ų132.685%0.84578%0.782SS**  trans-147.5156.4135.9-142.1-11.4000113.7
855Y27.2Very low31.2Very low196 Ų196130.8 Ų130.877%0.76979%0.786SS**  trans-110.8166.9176.8-75.5-96.2000107
856N26.1Very low31.4Very low122 Ų122131.8 Ų131.865%0.65279%0.787SS**  cis-177.7155-10.7162.753.8000106.9
857M28.7Very low31.4Very low152 Ų152132.5 Ų132.575%0.74979%0.787SS**  trans65.7164.1-176.9-58.9-54.5-177.300113.9
858D30.5Very low31.7Very low151 Ų151129.5 Ų129.581%0.80778%0.782SS**  cis-145-159.127.2-141.9-73000115.4
859A31Very low31.9Very low82 Ų82131.7 Ų131.768%0.67879%0.785SS**  trans-81.7163-151.200000118.8
860T35.8Very low32.1Very low130 Ų130129.9 Ų129.980%0.79879%0.785SS**  trans-84.5143.9169.239.20000113.8
861P42.2Very low32.3Very low122 Ų122132.1 Ų132.179%0.79280%0.795SS**  trans-105.4162.3143.735.6-27.8000111.6
862C32Very low32.6Very low130 Ų130128 Ų12888%0.87879%0.791SS**  trans-107151.2-178.3-63.50000112.6
863S34.1Very low33.4Very low130 Ų130135.2 Ų135.291%0.90980%0.802SS**  trans-145.2163.4157.559.40000110.2
864E33.2Very low33.1Very low203 Ų203133.9 Ų133.995%0.94981%0.806SS**  trans-115.1137.1-157.7-175.4178.9168.100112.1
865G31.8Very low33.5Very low72 Ų72138.7 Ų138.774%0.74281%0.813SS**  trans-179.147.7-171.300000120.3
866K28.8Very low33.9Very low208 Ų208133.2 Ų133.290%0.90482%0.816SS**  trans50.9133.4149.3-156.3177.3-176176.40121.4
867A31Very low34.8Very low81 Ų81139 Ų13967%0.66983%0.829SS**  trans98.2131.9152.300000121.3
868T33.1Very low35.5Very low125 Ų125143.8 Ų143.877%0.76784%0.838SS**  trans62.7124.5149.439.10000122.4
869T34.2Very low36Very low141 Ų141146.4 Ų146.487%0.86584%0.842SS**  trans53.6110.314756.90000119.2
870G33.4Very low36.4Very low77 Ų77153.1 Ų153.179%0.79485%0.85SS**  trans-174.2119.8166.400000113.5
871S33.8Very low36.2Very low132 Ų132153 Ų15392%0.92385%0.845SS**  trans-59.6133-179.3-60.80000113.1
872G38.4Very low35.8Very low69 Ų69149.4 Ų149.471%0.71182%0.822SS**  trans-69.1172.5-167.900000118.6
873R43.7Very low35.8Very low256 Ų256145.5 Ų145.597%0.96680%0.804SS**  trans-169.7120.2150.1-95.7149.2-163-110.75.8107.9
874G37.1Very low35.9Very low74 Ų74148 Ų14876%0.76380%0.801SS**  trans178.585.8179.200000118.1
875R36.6Very low35.9Very low259 Ų259143 Ų14398%0.97778%0.784SS**  trans36119.2143-52.6178.9-175.7-154.41.1119.2
876G35.8Very low35.9Very low81 Ų81144.8 Ų144.884%0.83579%0.786SS**  trans-170.873.7168.300000117
877R44.8Very low36.6Very low245 Ų245141 Ų14193%0.92578%0.782SS**  trans-66.5128.8163.2-97.1-177.2163.1-162.5-3.6110.1
878R43.6Very low36.6Very low252 Ų252140.4 Ų140.495%0.95178%0.784SS**  trans-170.1141.2139.2-99.7143-160.1-133.82111.1
879K42.1Very low36.8Very low205 Ų205142 Ų14289%0.89179%0.786SS**  trans-67.4143169.6-72.6-173.9172.6-1700110.2
880R38.4Very low36.6Very low224 Ų224145.6 Ų145.685%0.84579%0.79SS**  trans-163.9157.9132.4-107.6-176.5-94.5167.6-9.8108.9
881D32Very low36.4Very low128 Ų128151.2 Ų151.268%0.68479%0.793SS**  cis158.9122.7-28.4-166.6-95.8000106.4
882S34.5Very low36.1Very low45 Ų45148.5 Ų148.532%0.31577%0.774SS.*  trans62.9157.6159.6-157.60000122.2A1098S882-A1098 WeakPolarHBondContact CB-O 3.48Å; S882-A1098 PolarHBondContact OG-O 2.74Å
883G30.8Very low35.7Very low49 Ų49146.6 Ų146.651%0.50575%0.75SS.*  trans92.7132.1-178.600000114
884H37.8Very low35.1Very low182 Ų182138.7 Ų138.784%0.84373%0.727SS**  cis-137.7134.29.4-70.7-99.5000109.3
885V32.9Very low34.8Very low97 Ų97140.7 Ų140.759%0.58872%0.72SS**  60.6111.284.2-177.70000114.4M1099V885-M1099 HydrophobicContact CG2-CE 4.14Å; V885-M1099 HydrophobicContact CG2-CG 4.08Å; V885-M1099 HydrophobicContact CG2-SD 3.94Å
886S32.2Very low34.6Very low111 Ų111130.3 Ų130.378%0.77669%0.694SS**  trans-84.8157.5172.9-41.40000112.9
887P42.5Very low34.4Very low129 Ų129133.2 Ų133.284%0.83869%0.69SS**  trans-97150151.435.6-28.9000111.3
888G31.3Very low33.8Very low68 Ų68127.4 Ų127.470%0.70168%0.684SS**  trans-111.1155.2-179.100000114.5
889I37Very low33.2Very low159 Ų159121.2 Ų121.282%0.81567%0.674SS**  trans14.5119.2149.138.2171.1000119.3
890F30.3Very low32.7Very low215 Ų215117.8 Ų117.894%0.94367%0.67SS**  -155.8147.1126.4-102.1-72.5000110.1
891F29.3Very low32.4Very low196 Ų196112.3 Ų112.386%0.8667%0.666SS**  trans-82.5155.8172.1-84.6-95.3000111.5
892S26.2Very low33Very low75 Ų75112.5 Ų112.552%0.52467%0.674SS.*  164.5113.8128.5-75.90000114.1K922S892-K922 WeakPolarHBondContact O-CE 3.28Å
893S30.8Very low32.8Very low28 Ų28114.1 Ų114.120%0.19670%0.697CS.*  134.3130.5105.3176.60000120.6K922 H923S893-K922 WeakPolarHBondContact OG-CA 3.41Å; S893-H923 WeakPolarHBondContact OG-CA 3.5Å; S893-H923 WeakPolarHBondContact OG-CB 3.28Å
894D31Very low33Very low90 Ų90119.8 Ų119.848%0.48171%0.711SS.*  trans28.6142.2133.7-45.6-74.6000123.2E921 K922 H923D894-E921 CarbonylContact O-C 3.49Å; D894-E921 WeakPolarHBondContact O-CA 3.34Å; D894-K922 WeakPolarHBondContact O-CA 3.41Å; D894-K922 PolarHBondContact O-N 2.93Å; D894-H923 IonicContact OD2-CD2 3.45Å; D894-H923 PolarHBondContact OD2-CD2 3.38Å
895N30.1Very low32.7Very low117 Ų117118.4 Ų118.463%0.62671%0.705SS**BIsolated β-bridgetrans-75.4158.3163.4-57.4-37000112H920N895-H920 WeakPolarHBondContact OD1-CA 3.39Å; N895-H920 PolarHBondContact OD1-N 2.9Å
896G33.7Very low32.6Very low41 Ų41120.4 Ų120.442%0.42372%0.717SS.*  trans157.3104.6153.800000117
897N30.3Very low33.1Very low142 Ų142121 Ų12176%0.75972%0.718SS**  trans-132.596.2166.1-173.411.7000111.8
898P33.3Very low32.4Very low122 Ų122121 Ų12179%0.79272%0.721SS**  trans-99.79417535.1-27.9000111.6
899V30.3Very low32.5Very low122 Ų122122.5 Ų122.574%0.73973%0.728SS**  trans-91.6103.5162.9174.40000109.2
900V31.7Very low32.1Very low134 Ų134118.7 Ų118.781%0.81273%0.727SS**  -155.3146.2115.5-146.20000109.7
901S31.9Very low32.2Very low109 Ų109115.9 Ų115.976%0.76273%0.728SS**  trans-95.8-168.7165.5-48.30000110.4
902P44.5Very low32.2Very low132 Ų132110.1 Ų110.186%0.85772%0.723SS**  -108.7153.9-111.834.8-19.6000115.1
903G30.7Very low32.6Very low78 Ų78113.8 Ų113.880%0.80473%0.732SS**  trans-152.9154172.300000111.1
904Q34.6Very low32.8Very low169 Ų169122.9 Ų122.979%0.7976%0.762SS**  trans-104.1162.6-174.3-50.3-176.312.100113.4
905Q32.4Very low32.9Very low153 Ų153122.5 Ų122.572%0.71578%0.779SS**  trans76.8113.5152.8-68.1165.345.200120.3
906T29.8Very low32.9Very low138 Ų138120.3 Ų120.385%0.84778%0.784SS**  trans75.3155.5143.150.70000120.6
907P44.2Very low32.7Very low123 Ų123121.5 Ų121.580%0.79980%0.797SS**  trans-122.1161.6-151.441.7-29.8000116.8
908S27.4Very low33Very low129 Ų129120.3 Ų120.390%0.90280%0.795SS**  trans-163.1172.5142-1570000112.4
909A32.9Very low33.5Very low101 Ų101119.4 Ų119.484%0.83579%0.789SS**  trans-90165.5-165.800000116.2
910G28.3Very low33.6Very low78 Ų78119.1 Ų119.180%0.80478%0.779SS**  trans167.8107.616400000118.7
911V33.3Very low33.5Very low157 Ų157118 Ų11895%0.95277%0.765SS**  trans-22.8145.8158.2178.70000118.3
912G29.7Very low33.5Very low74 Ų74117.9 Ų117.976%0.76375%0.751SS**  trans169.2119.8155.700000119.4
913E34.1Very low32.9Very low153 Ų153115.2 Ų115.272%0.71573%0.727SS**  trans-60.2164.5179.3-104.2-179.591.500120.6
914R34.5Very low32.9Very low219 Ų219118.7 Ų118.783%0.82673%0.726SS**  trans82.5156.5149.2-72.8160.8-159.8-115.9-9.7121.9
915G33.2Very low32.7Very low82 Ų82118 Ų11885%0.84572%0.723SS**  trans108.4149.3170.700000114.1
916G29.9Very low32.6Very low70 Ų70115.9 Ų115.972%0.72273%0.725SS**  trans-167.3139.9178.700000115.8
917G30.1Very low33Very low67 Ų67114.9 Ų114.969%0.69172%0.721SS**  trans174.4108176.600000112.7
918T37.1Very low32.3Very low117 Ų117114.3 Ų114.372%0.71872%0.72SS**  trans-72.5158.8173.2490000111.8
919P43.7Very low32.5Very low103 Ų103118 Ų11867%0.66971%0.714SS**  cis-155.1165.640.142-20.7000120.9
920H31.2Very low32.6Very low116 Ų116116.8 Ų116.854%0.53771%0.711SS.*  trans65.8178.4152.8-81.4-55000118N895N895-H920 WeakPolarHBondContact OD1-CA 3.39Å; N895-H920 PolarHBondContact OD1-N 2.9Å
921E30.2Very low32.7Very low109 Ų109121.4 Ų121.451%0.50971%0.709SS.*BIsolated β-bridgecis-143.3153.4-20.6-118.5-162.7-166.600104.9D894D894-E921 CarbonylContact O-C 3.49Å; D894-E921 WeakPolarHBondContact O-CA 3.34Å
922K31.1Very low32.7Very low108 Ų108117.7 Ų117.747%0.4770%0.703SS.*  cis-160.7172.8-3.2-86.1-153.2175.587.50106.6S892 S893 D894S892-K922 WeakPolarHBondContact O-CE 3.28Å; S893-K922 WeakPolarHBondContact OG-CA 3.41Å; D894-K922 WeakPolarHBondContact O-CA 3.41Å; D894-K922 PolarHBondContact O-N 2.93Å
923H32.6Very low32.9Very low75 Ų75117.4 Ų117.435%0.34770%0.7SS.*  cis-166.6140.7-13.1164.7-117.6000108.7S893 D894 Q925S893-H923 WeakPolarHBondContact OG-CA 3.5Å; S893-H923 WeakPolarHBondContact OG-CB 3.28Å; D894-H923 IonicContact OD2-CD2 3.45Å; D894-H923 PolarHBondContact OD2-CD2 3.38Å; H923-Q925 PolarHBondContact NE2-N 3.05Å; H923-Q925 VanDerWaalsContact NE2-N 3.18Å
924L31.4Very low33Very low151 Ų151117.3 Ų117.379%0.79170%0.704SS**  trans-168.6103.6146.4-92.2-161.5000114.8
925Q29.9Very low33.1Very low155 Ų155114.2 Ų114.272%0.72470%0.703SS**  trans-14.6114.5150.5-170.3170.12.100121.1H923H923-Q925 PolarHBondContact NE2-N 3.05Å; H923-Q925 VanDerWaalsContact NE2-N 3.18Å
926S29.3Very low33.3Very low108 Ų108117.1 Ų117.176%0.75570%0.696SS**  trans69.2168155.1-51.50000118.4
927P39.3Very low33.8Very low118 Ų118121.8 Ų121.877%0.76670%0.704SS**  cis-133.8-171.9-2.944.5-28000116
928S29.7Very low33.9Very low111 Ų111121.5 Ų121.578%0.77670%0.701SS**  trans68.3140.3149.7-152.90000121.4
929W31.9Very low34Very low207 Ų207123.5 Ų123.578%0.78471%0.708SS**  trans-68.4146.8152.3-76.379.5000109.9E1058W929-E1058 VanDerWaalsContact CD1-OE1 3.23Å
930G34.1Very low33.3Very low75 Ų75127.3 Ų127.377%0.77372%0.717SS**  trans-107.4152.5178.200000113
931K31.3Very low33.7Very low175 Ų175125.5 Ų125.576%0.76172%0.722SS**  trans-144137.5179.1-179175.4179.4173.30111.2V1057K931-V1057 HydrophobicContact CD-CG1 4.44Å
932G32.6Very low34Very low79 Ų79127.5 Ų127.581%0.81474%0.736SS**  trans85.9153-177.500000112.8
933G34.1Very low34.7Very low68 Ų68129 Ų12970%0.70175%0.748SS**  cis-150-164.2-3.100000109.6
934D35.4Very low34.6Very low150 Ų150132.9 Ų132.980%0.80277%0.768SS**  cis-165.5-1735.4-122.5-59.4000110.4
935L37.3Very low34.4Very low155 Ų155129.8 Ų129.881%0.81276%0.759SS**  trans89133.7176.5-50.9166.1000116
936M37.5Very low34.3Very low142 Ų142126.9 Ų126.970%0.776%0.756SS**  cis-166.3152.3-15.3-121.1-59115.200109.9
937L39.6Very low34.7Very low168 Ų168128.9 Ų128.988%0.8876%0.758SS**  trans63.4153.2-179.5-71.671000115.4
938G33.5Very low34.3Very low62 Ų62129.4 Ų129.464%0.63975%0.754SS**  cis177.3154.2-6.400000111.9
939D37.6Very low34.4Very low159 Ų159129.5 Ų129.585%0.8575%0.754SS**  trans61.5136.6177.3-54.4-27.8000117.3
940Q30.4Very low34.4Very low183 Ų183123.4 Ų123.486%0.85576%0.756SS**  cis79.5129.934.4-168.6-178108.700112.9
941A38.9Very low34.5Very low78 Ų78127.4 Ų127.465%0.64576%0.758SS**  cis-125.5166-2.100000109
942D35.4Very low34.4Very low150 Ų150127.2 Ų127.280%0.80276%0.76SS**  cis71157.440.6-146.7-10.4000114.6
943L46.7Very low34.6Very low141 Ų141128.6 Ų128.674%0.73876%0.757SS**  trans78.9139.3-172.3-44.6-178.8000115.4
944M30.8Very low34.6Very low155 Ų155132.2 Ų132.276%0.76477%0.765SS**  cis-157.2164.8-4-124.5168.675.500114.1
945S27Very low34.4Very low86 Ų86129.7 Ų129.760%0.60177%0.765SS**  trans-37.1155.4163.5580000116.1
946S28.4Very low34.2Very low94 Ų94126.5 Ų126.566%0.65776%0.761SS**  172.9155.865.1-122.70000113.4
947L37.6Very low33.8Very low151 Ų151129.3 Ų129.379%0.79177%0.769SS**  trans59.1138149.5-57.9167.3000118.7
948D31.2Very low33.6Very low129 Ų129125.7 Ų125.769%0.6976%0.758SS**  cis94.4120.831.2-174.637.9000115.3
949S30.4Very low33.4Very low112 Ų112129.8 Ų129.878%0.78377%0.765SS**  trans56.3144.2159.1-69.10000122
950G32.8Very low33.1Very low80 Ų80126.7 Ų126.783%0.82576%0.756SS**  trans157.285.9165.500000116.8
951I36.3Very low32.9Very low159 Ų159124 Ų12482%0.81576%0.757SS**  trans-88.5154-177.2-38.7172.7000112
952Q29.6Very low32.4Very low171 Ų171125.8 Ų125.880%0.79977%0.765SS**  trans108.198.9152.3-55.9-17342.900121.1
953S35.6Very low33.7Very low108 Ų108124.4 Ų124.476%0.75577%0.765SS**  58.8147109.7-49.20000126
954V35.6Very low32.8Very low144 Ų144127.5 Ų127.587%0.87377%0.766SS**  trans95.5110.8149.6-165.30000121.1
955A31.2Very low32.8Very low97 Ų97124.7 Ų124.780%0.80276%0.758SS**  trans163.4142.713100000111.6
956A31.7Very low32.8Very low87 Ų87126.7 Ų126.772%0.71976%0.762SS**  cis-164154.4-14.700000111.8
957K30.3Very low33Very low201 Ų201131.5 Ų131.587%0.87477%0.771SS**  trans38.5146.9138.7-67.2-175.7179-174.10121.8
958S35.2Very low34.2Very low92 Ų92129 Ų12964%0.64376%0.764SS**  cis-178156.72.542.40000113.8
959D27.7Very low34.2Very low148 Ų148129.4 Ų129.479%0.79177%0.767SS**  trans63.7164.4150.5-72.4-56.3000122.8
960S31.9Very low34.6Very low94 Ų94130.5 Ų130.566%0.65776%0.763SS**  -178.5136.3-5653.80000111.3
961S26.4Very low34.5Very low126 Ų126132 Ų13288%0.88176%0.756SS**  trans165.4172.3154.7-82.70000115.3
962S27.9Very low34.1Very low116 Ų116129.2 Ų129.281%0.81175%0.751SS**  trans-134.8-159.4-169.2-42.60000112.7
963P63.6Low34.2Very low121 Ų121126.2 Ų126.279%0.78675%0.745SS**  -128.4-164.8-64.636.1-17.3000114.3
964R28.8Very low34.1Very low206 Ų206129.5 Ų129.578%0.77775%0.747SS**  trans81163.4160.8-128.4-178.5164.2-117.3-17.3114.4D966R964-D966 IonicContact NH2-OD1 3.34Å; R964-D966 IonicContact NH2-OD2 3.94Å
965V30.5Very low33.8Very low97 Ų97133.5 Ų133.559%0.58875%0.749SS**  cis-155.215121.2-134.50000115.2
966D27.1Very low33.8Very low128 Ų128132.6 Ų132.668%0.68475%0.749SS**  trans61.2167.2142.6-63.7-13.7000126.3R964R964-D966 IonicContact NH2-OD1 3.34Å; R964-D966 IonicContact NH2-OD2 3.94Å
967F32.1Very low33.8Very low194 Ų194135.8 Ų135.885%0.85175%0.754SS**  trans-113.3-160.6-164.7-75.7-92.3000112
968P62Low34.1Very low99 Ų99135.5 Ų135.564%0.64376%0.755SS**  cis-130.6-119.5-35.232-8.1000112.2
969D32.2Very low34.4Very low138 Ų138138.2 Ų138.274%0.73876%0.763SS**  trans86.2114.7176.2-61.1-68.5000117.8
970D38.8Very low34.9Very low134 Ų134138.7 Ų138.772%0.71776%0.76SS**  cis87.8143.538-71.9-79.3000113.6
971V30Very low35.2Very low112 Ų112140 Ų14068%0.67976%0.764SS**  cis-157.2164.1-3.993.60000111.6
972S28.1Very low35.4Very low100 Ų100139.7 Ų139.770%0.69976%0.762SS**  trans138.6112.7147.9-62.10000111.5
973T32.7Very low35.5Very low109 Ų109139.7 Ų139.767%0.66976%0.762SS**  62112.955.5720000116.1
974H31.8Very low33.9Very low176 Ų176138.8 Ų138.882%0.81576%0.758SS**  -168.4172.5103.3-111.4-83000114.2
975Y29.7Very low34.1Very low229 Ų229134.5 Ų134.590%0.89876%0.76SS**  trans-80.9167.5-174.6-80.2-120.2000114.1
976G30.7Very low34.2Very low78 Ų78137.2 Ų137.280%0.80477%0.771SS**  trans179.2114.4155.900000114.3
977N33.4Very low34.6Very low153 Ų153135.3 Ų135.382%0.81877%0.773SS**  trans-149.3108.1168.3169.2100.5000109.1
978E36.3Very low34.6Very low195 Ų195129.7 Ų129.791%0.91177%0.77SS**  trans-167.3174.316049-155.9124.800110.4
979D40.8Very low33.2Very low149 Ų149128.9 Ų128.980%0.79778%0.779SS**  trans-108.6172.6-167.3-146.5-39.1000111.9
980E39.1Very low33.4Very low159 Ų159127.1 Ų127.174%0.74378%0.784SS**  trans64.7125.4165.4-61.7-147.483.600121.8
981V38.4Very low33.2Very low120 Ų120126.1 Ų126.173%0.72779%0.788SS**  trans59112.2145.8-57.20000122.7
982S28.8Very low33.5Very low120 Ų120125 Ų12584%0.83979%0.791SS**  178165.3106.9-80.90000115.3
983S30.5Very low33.6Very low117 Ų117126 Ų12682%0.81879%0.792SS**  trans-64.6174.2175.7-45.50000113.6
984S29.4Very low33.5Very low101 Ų101130.3 Ų130.371%0.70680%0.802SS**  cis-167.4155.426.1590000115.6
985S33.4Very low34Very low117 Ų117127.8 Ų127.882%0.81880%0.801SS**  trans66162.8141.2-66.40000121.6
986D32.8Very low34Very low154 Ų154123.6 Ų123.682%0.82479%0.794SS**  cis-179.1153.5-34.6-161.8-147.3000106
987A35.7Very low33.9Very low88 Ų88131.2 Ų131.273%0.72780%0.799SS**  cis-134.9-165.7-0.400000108.2
988G32.6Very low33.7Very low75 Ų75129 Ų12977%0.77380%0.795SS**  cis-169.3173.71.400000107.8
989G32.1Very low34.2Very low82 Ų82125 Ų12585%0.84579%0.786SS**  cis121.9146.726.500000108.5
990A35.5Very low33.7Very low102 Ų102125.4 Ų125.484%0.84379%0.785SS**  cis-162.5-169.7-15.800000106.4
991S35.4Very low33.4Very low113 Ų113124.1 Ų124.179%0.7978%0.782SS**  cis-166.91422.8-166.30000108.1
992A37.3Very low33Very low89 Ų89125 Ų12574%0.73679%0.787SS**  cis-137-80.6-17.100000110.6
993T29.6Very low33.1Very low120 Ų120123 Ų12374%0.73679%0.787SS**  cis-150.5140.3-16.3-46.60000109.3
994K30.5Very low33.3Very low199 Ų199123.1 Ų123.187%0.86579%0.787SS**  trans-148.9153.4169.9-69.3-179.1-179.8172.70108.7
995P42.6Very low34.4Very low123 Ų123124.9 Ų124.980%0.79980%0.796SS**  -141.6167.3100.535.7-20.3000112.1
996N28.9Very low34.4Very low141 Ų141128.3 Ų128.375%0.75480%0.796SS**  cis82.881.618.7-164.16.1000117.9
997R29.7Very low34.3Very low238 Ų238128.6 Ų128.690%0.89880%0.795SS**  -173.2167.6121.6-103.6178.5-180-169.70.5113
998S27.6Very low34.1Very low107 Ų107133.1 Ų133.175%0.74880%0.801SS**  trans-89.5-169.9-176.1-8.70000112.8
999P47.9Very low34.1Very low110 Ų110139.7 Ų139.771%0.71480%0.802SS**  cis-139.5-178.1-35.538.6-20.5000115.2
1000M29.8Very low33.9Very low159 Ų159140.9 Ų140.978%0.78380%0.798SS**  trans76.7117.9143.1-73.6-94.4-92.200123.8
1001I33.7Very low33.8Very low132 Ų132141.9 Ų141.968%0.67779%0.789SS**  trans66.5115.7144.3-39.7156000120.8
1002T29.8Very low33.6Very low137 Ų137143.7 Ų143.784%0.8479%0.79SS**  161.5149.6119.238.70000113.2
1003G30.6Very low33.1Very low80 Ų80144 Ų14483%0.82579%0.787SS**  trans82.1114145.100000120.8
1004S33.9Very low33.3Very low119 Ų119145.2 Ų145.283%0.83279%0.788SS**  trans-97152.4155.5-50.90000110.2
1005P52.7Low33.4Very low137 Ų137143.3 Ų143.389%0.8979%0.786SS**  -141.4-142.8106.138.1-22.2000114.2
1006K34.1Very low32.8Very low190 Ų190145.2 Ų145.283%0.82679%0.79SS**  trans-131.7161.9-142.5-152.9-173.7-175.8178.60114
1007M30.8Very low33Very low160 Ų160141.2 Ų141.279%0.78878%0.782SS**  trans84.8115.7157.3-64.817346.600121.9
1008Q31.4Very low33Very low182 Ų182139.1 Ų139.185%0.8578%0.782SS**  170.3138.5119.4-91.4-179.6-116.500107.7
1009R32Very low33.3Very low213 Ų213143.5 Ų143.580%0.80479%0.788SS**  cis102.898.720.7-170.9-167.3-167.9175.18.4113.9
1010S28.6Very low32.9Very low108 Ų108143.3 Ų143.376%0.75579%0.787SS**  trans177.4100134.333.90000114.7
1011D32.8Very low33Very low123 Ų123143.9 Ų143.966%0.65879%0.792SS**  41.3121121.6-44.8-52.8000123
1012N31Very low32.8Very low150 Ų150140.7 Ų140.780%0.80279%0.792SS**  trans57.4143.2131-59.7-4.6000120.9
1013S27.7Very low32.8Very low96 Ų96143.3 Ų143.367%0.67180%0.797SS**  cis174.7155.348.8-1300000114.4
1014L33.2Very low32.9Very low145 Ų145142.9 Ų142.976%0.75979%0.792SS**  trans71.4118.7145.7-60.7165.4000124.4
1015L33.6Very low32.8Very low159 Ų159144.7 Ų144.783%0.83279%0.791SS**  41.4124.1126.1-55.4176000121.6
1016N28.7Very low31.8Very low163 Ų163144.7 Ų144.787%0.87278%0.784SS**  -168.1175.590.3-160.97.1000110
1017G32.9Very low31.6Very low58 Ų58141.1 Ų141.160%0.59877%0.774SS**  trans-146.3145.5176.400000114.8
1018Q31.1Very low31.8Very low193 Ų193141.4 Ų141.490%0.90277%0.773SS**  trans-164.1160.2167.2-114.1171.25.200111.8
1019K32.8Very low31.7Very low199 Ų199139.3 Ų139.387%0.86577%0.772SS**  trans-128.3165.4160.4-67.2-176.9178.1-179.60106
1020P39.2Very low31.6Very low107 Ų107134.2 Ų134.270%0.69577%0.765SS**  cis-138-167.912.138.8-17.7000115.1
1021L32.3Very low31.7Very low170 Ų170134.4 Ų134.489%0.8977%0.767SS**  trans70.5140.8165-55.4166.3000117.3
1022G29.2Very low31.9Very low65 Ų65132.8 Ų132.867%0.6777%0.77SS**  cis-179.7167.9-7.900000114.9
1023M31Very low32.8Very low192 Ų192130.8 Ų130.895%0.94677%0.765SS**  trans69.9111.4165.4-92.156.7179.900122.4
1024G31.1Very low32.9Very low71 Ų71133.4 Ų133.473%0.73277%0.772SS**  trans103.4139.8137.300000118.5
1025I33.1Very low32.6Very low157 Ų157131.8 Ų131.881%0.80577%0.772SS**  cis-153.4164.9-14.3-23.6171.2000108.5
1026N31.8Very low32.5Very low138 Ų138135.4 Ų135.474%0.73878%0.777SS**  trans73.4142.9170.5-57.5-1.1000115.5
1027N30.3Very low32.6Very low115 Ų115131.4 Ų131.462%0.61577%0.774SS**  cis-156.4161.93.3-128.410.8000113.2
1028H34.2Very low32.5Very low166 Ų166137 Ų13777%0.76979%0.79SS**  trans74.1143.3169-49.8-56.4000118.9
1029T29.4Very low32.4Very low137 Ų137134.8 Ų134.884%0.8478%0.784SS**  trans-176.8151.5-159.6-87.30000109.3
1030T30.6Very low32.3Very low107 Ų107130.8 Ų130.866%0.65678%0.781SS**  cis-170.9160.3-18.2-82.40000108.5
1031S29.8Very low31.9Very low112 Ų112128.9 Ų128.978%0.78378%0.781SS**  trans68.9142.7158570000122.1
1032A37.3Very low32Very low88 Ų88127.1 Ų127.173%0.72778%0.777SS**  trans-87.7177.1152.400000110.2
1033P49Very low32.2Very low109 Ų109129.3 Ų129.371%0.70878%0.782SS**  -158.5167.899.440.8-21.6000118.5
1034D30.5Very low32.2Very low151 Ų151127.2 Ų127.281%0.80778%0.78SS**  trans50143.6138.1-57-20.5000127.1
1035S26.7Very low32.2Very low110 Ų110127.4 Ų127.477%0.76978%0.782SS**  trans100.1150.2137.6-81.50000123.9
1036Y31.9Very low32Very low235 Ų235124.6 Ų124.692%0.92278%0.782SS**  trans-57.7158-171.2-58.5-102.3000117.5
1037G30.1Very low31.9Very low80 Ų80124.1 Ų124.183%0.82579%0.79SS**  trans-168.2152.6165.600000113.9
1038L31.7Very low31.9Very low175 Ų175122.7 Ų122.792%0.91680%0.802SS**  trans-124142.2-176.7-100.6165000112.1
1039N29.4Very low31.7Very low147 Ų147121.4 Ų121.479%0.78681%0.805SS**  trans51.2128.8142.6-157.833.6000122
1040S30.5Very low31.7Very low114 Ų114120.1 Ų120.180%0.79780%0.802SS**  trans36.8135.4146.2-164.40000122.3
1041G30.6Very low31.7Very low67 Ų67123.9 Ų123.969%0.69181%0.812SS**  trans137.172.3148.100000119.5
1042V33.9Very low32.3Very low134 Ų134124.8 Ų124.881%0.81282%0.815SS**  trans27113.8140-178.60000120.2
1043S34.2Very low31.9Very low110 Ų110124.2 Ų124.277%0.76982%0.818SS**  trans69152.5147.180.30000121.3
1044T31.2Very low31.2Very low148 Ų148125.8 Ų125.891%0.90883%0.826SS**  trans-139.9138.3157.546.40000110.3
1045G29.4Very low31.6Very low76 Ų76124.4 Ų124.478%0.78483%0.825SS**  trans176.3102.7179.100000114.2
1046A30Very low31.7Very low97 Ų97122.3 Ų122.380%0.80282%0.821SS**  trans68.7101.2167.900000120.2
1047S29.8Very low31.8Very low129 Ų129116.9 Ų116.990%0.90281%0.812SS**  42114.1122.4-50.10000121.6
1048G29.7Very low32Very low84 Ų84119.3 Ų119.387%0.86680%0.802SS**  trans-167.6115.1167.200000115.2
1049V30.2Very low32Very low139 Ų139120.4 Ų120.484%0.84280%0.802SS**  trans-70.5147.8-170.2172.10000115.7
1050S28.7Very low32.1Very low111 Ų111119.4 Ų119.478%0.77680%0.801SS**  trans78.9145.4155.264.20000123.1
1051H30.4Very low32Very low185 Ų185124.3 Ų124.386%0.85680%0.802SS**  trans-94.1179162-60.3-79.7000110
1052P44.1Very low32Very low131 Ų131126.3 Ų126.385%0.85180%0.801SS**  cis-132.2-175-1.941.7-25.6000114.5
1053G28.5Very low32.1Very low76 Ų76126.4 Ų126.478%0.78481%0.805SS**  trans140.712214900000117.5
1054T33.8Very low31.7Very low142 Ų142126.2 Ų126.287%0.87180%0.803SS**  trans-101.6148.1150.952.80000107.8
1055P39.3Very low31.8Very low122 Ų122125 Ų12579%0.79280%0.801SS**  -144.216485.538.1-22000114.6
1056G28.5Very low31.9Very low66 Ų66127.9 Ų127.968%0.6880%0.803SS**  trans-96.8177.7176.500000115
1057V34.4Very low32.1Very low122 Ų122128.4 Ų128.474%0.73980%0.801SS**  trans-147.6153.9157.7-79.40000108.9K931K931-V1057 HydrophobicContact CD-CG1 4.44Å
1058E33.5Very low32.3Very low131 Ų131125.3 Ų125.361%0.61279%0.79SS**  trans-78.1145-175.8-58157.496.900112.7W929W929-E1058 VanDerWaalsContact CD1-OE1 3.23Å
1059Q33.2Very low32.9Very low197 Ų197130.6 Ų130.692%0.92179%0.792SS**  trans-154.8128.9137.5-120.1170.645.700115.7
1060V29.6Very low33.6Very low127 Ų127132.4 Ų132.477%0.7779%0.791SS**  trans-49.8130.1171.3170.90000114.3
1061R28.8Very low34.8Very low216 Ų216136.1 Ų136.182%0.81580%0.796SS**  177.8162106.4-132.7169.6-177.1113.5-2.7113.9
1062T32Very low36.6Very low110 Ų110132.6 Ų132.668%0.67578%0.782SS**  trans54.4128.6159.951.10000120.4S1064T1062-S1064 PolarHBondContact O-N 3.21Å
1063P34.2Very low38.1Very low136 Ų136131.3 Ų131.388%0.88377%0.765SS**  trans-75.7109.4155.831.9-28.9000109.1
1064S26.9Very low40.4Very low105 Ų105132.1 Ų132.173%0.73476%0.756SS**  trans-96.6130.7168.4-1670000109.4T1062 T1066T1062-S1064 PolarHBondContact O-N 3.21Å; S1064-T1066 PolarHBondContact O-N 3.43Å
1065S33.1Very low42.7Very low123 Ų123130.2 Ų130.286%0.8674%0.74SS**  trans-69.3121-177.6-54.10000111.5
1066T31.7Very low44.8Very low137 Ų137130.3 Ų130.384%0.8473%0.73SS**  trans-101.8111.3166.354.40000109.6S1064 G1068S1064-T1066 PolarHBondContact O-N 3.43Å; T1066-G1068 PolarHBondContact O-N 3.48Å
1067S34.3Very low47.7Very low108 Ų108131 Ų13176%0.75572%0.717SS**  trans-69.6108.8-17953.30000112.3
1068G32.9Very low50.3Low64 Ų64128.7 Ų128.766%0.6670%0.7SS**  trans-72.5137.7143.600000108.7T1066 E1070T1066-G1068 PolarHBondContact O-N 3.48Å; G1068-E1070 PolarHBondContact O-N 2.83Å
1069Q42.6Very low52.8Low195 Ų195128.3 Ų128.391%0.91170%0.699SS**  trans-78.773.1167.3-77.7-82.4-51.300108.3
1070E46.3Very low55.4Low176 Ų176121.2 Ų121.282%0.82267%0.673SS**  trans-80117.4169.5-165154.8-136.500107.6G1068 I1072G1068-E1070 PolarHBondContact O-N 2.83Å; E1070-I1072 VanDerWaalsContact C-N 3.31Å; E1070-I1072 PolarHBondContact O-N 2.86Å
1071E53Low58Low189 Ų189119.3 Ų119.388%0.88366%0.656SS**  trans-71.885.8-174.2-172.4174.8-165.500109.4H1073E1071-H1073 PolarHBondContact O-N 3.36Å
1072I68.4Low60.9Low111 Ų111112.8 Ų112.857%0.56964%0.637SS**  trans-52110.3-171.2-49.5178.2000109.4E1070 E1076 I1077E1070-I1072 VanDerWaalsContact C-N 3.31Å; E1070-I1072 PolarHBondContact O-N 2.86Å; I1072-E1076 HydrophobicContact CG2-CB 4.17Å; I1072-I1077 HydrophobicContact CB-CD1 4.37Å; I1072-I1077 HydrophobicContact CB-CG1 4.28Å; I1072-I1077 HydrophobicContact CG2-CD1 4.32Å; I1072-I1077 HydrophobicContact CG2-CG1 3.69Å
1073H75.5Confident63.4Low105 Ų105113 Ų11349%0.48663%0.63SS.*  trans-61.4137.5-169.8-167.2-101.2000109.4E1071 L1075 E1076 I1077E1071-H1073 PolarHBondContact O-N 3.36Å; H1073-L1075 PolarHBondContact O-N 3.12Å; H1073-E1076 WeakPolarHBondContact O-CA 3.43Å; H1073-E1076 WeakPolarHBondContact O-CB 3.3Å; H1073-E1076 PolarHBondContact O-N 3.24Å; H1073-I1077 PolarHBondContact O-N 2.99Å
1074P76.4Confident66Low92 Ų92111.2 Ų111.260%0.59761%0.612SS**Hα-helixtrans-59.3-23.8-173.819.7-32.3000113.3L1078P1074-L1078 VanDerWaalsContact O-CB 3.27Å; P1074-L1078 WeakPolarHBondContact O-CB 3.33Å; P1074-L1078 PolarHBondContact O-N 3.29Å
1075L82.7Confident68.6Low103 Ų103111.4 Ų111.454%0.53960%0.602SS.*Hα-helixtrans-68.5-32.8170.9-61.2178.6000113.8H1073 Q1079H1073-L1075 PolarHBondContact O-N 3.12Å; L1075-Q1079 WeakPolarHBondContact O-CB 3.49Å; L1075-Q1079 PolarHBondContact O-N 3.04Å
1076E83.8Confident70.6Confident124 Ų124113.9 Ų113.958%0.57959%0.592SS**Hα-helixtrans-73-39.3173.9-90.8-175.1143.200111.5I1072 H1073 L1078 Q1079 A1080I1072-E1076 HydrophobicContact CG2-CB 4.17Å; H1073-E1076 WeakPolarHBondContact O-CA 3.43Å; H1073-E1076 WeakPolarHBondContact O-CB 3.3Å; H1073-E1076 PolarHBondContact O-N 3.24Å; E1076-L1078 VanDerWaalsContact C-N 3.33Å; E1076-Q1079 PolarHBondContact O-N 3.36Å; E1076-A1080 VanDerWaalsContact O-CB 3.28Å; E1076-A1080 WeakPolarHBondContact O-CB 3.47Å; E1076-A1080 PolarHBondContact O-N 3.47Å
1077I87.6Confident72.5Confident79 Ų79113.2 Ų113.241%0.40558%0.579SS.*Hα-helixtrans-61.1-46172.1-55.8179.6000109.7I1072 H1073 A1080 Q1081I1072-I1077 HydrophobicContact CB-CD1 4.37Å; I1072-I1077 HydrophobicContact CB-CG1 4.28Å; I1072-I1077 HydrophobicContact CG2-CD1 4.32Å; I1072-I1077 HydrophobicContact CG2-CG1 3.69Å; H1073-I1077 PolarHBondContact O-N 2.99Å; I1077-A1080 PolarHBondContact O-N 3.44Å; I1077-Q1081 WeakPolarHBondContact O-CB 3.4Å; I1077-Q1081 WeakPolarHBondContact O-CG 3.31Å; I1077-Q1081 PolarHBondContact O-N 3.2Å
1078L89.4Confident73.9Confident74 Ų74114.6 Ų114.639%0.38757%0.574SS.*Hα-helixtrans-63.1-41.1175.7-178.662.4000112.1P1074 E1076 Q1081 I1082P1074-L1078 VanDerWaalsContact O-CB 3.27Å; P1074-L1078 WeakPolarHBondContact O-CB 3.33Å; P1074-L1078 PolarHBondContact O-N 3.29Å; E1076-L1078 VanDerWaalsContact C-N 3.33Å; L1078-Q1081 PolarHBondContact O-N 2.99Å; L1078-I1082 HydrophobicContact CD1-CD1 4.21Å; L1078-I1082 HydrophobicContact CD1-CG1 4.47Å; L1078-I1082 HydrophobicContact CG-CD1 3.97Å; L1078-I1082 WeakPolarHBondContact O-CB 3.22Å; L1078-I1082 VanDerWaalsContact O-CG1 3.24Å; L1078-I1082 WeakPolarHBondContact O-CG1 3.31Å; L1078-I1082 PolarHBondContact O-N 3.01Å
1079Q87.3Confident74.9Confident124 Ų124118.9 Ų118.958%0.57958%0.575SS**Hα-helixtrans-66.3-42.5177.3-176.7165.4-13.100111.4L1075 E1076 I1082 Q1083L1075-Q1079 WeakPolarHBondContact O-CB 3.49Å; L1075-Q1079 PolarHBondContact O-N 3.04Å; E1076-Q1079 PolarHBondContact O-N 3.36Å; Q1079-I1082 PolarHBondContact O-N 3.26Å; Q1079-Q1083 VanDerWaalsContact O-CB 3.29Å; Q1079-Q1083 WeakPolarHBondContact O-CB 3.31Å; Q1079-Q1083 PolarHBondContact O-N 2.9Å
1080A86.1Confident75.1Confident47 Ų47114 Ų11439%0.38856%0.562SS.*Hα-helixtrans-62.5-41.917300000111.8E1076 I1077 Q1083 L1084E1076-A1080 VanDerWaalsContact O-CB 3.28Å; E1076-A1080 WeakPolarHBondContact O-CB 3.47Å; E1076-A1080 PolarHBondContact O-N 3.47Å; I1077-A1080 PolarHBondContact O-N 3.44Å; A1080-Q1083 PolarHBondContact O-N 3.48Å; A1080-L1084 WeakPolarHBondContact O-CB 3.41Å; A1080-L1084 WeakPolarHBondContact O-CG 3.28Å; A1080-L1084 PolarHBondContact O-N 3.49Å
1081Q85.3Confident75.4Confident88 Ų88112.5 Ų112.541%0.41156%0.558SS.*Hα-helixtrans-63-43.9173.5-76.6-178.25.200112.2I1077 L1078 Q1083 L1084 Q1085I1077-Q1081 WeakPolarHBondContact O-CB 3.4Å; I1077-Q1081 WeakPolarHBondContact O-CG 3.31Å; I1077-Q1081 PolarHBondContact O-N 3.2Å; L1078-Q1081 PolarHBondContact O-N 2.99Å; Q1081-Q1083 VanDerWaalsContact C-N 3.26Å; Q1081-Q1083 PolarHBondContact O-N 3.32Å; Q1081-L1084 PolarHBondContact O-N 3.01Å; Q1081-Q1085 WeakPolarHBondContact O-CB 3.34Å; Q1081-Q1085 PolarHBondContact O-N 2.92Å
1082I88.7Confident75Confident79 Ų79108.1 Ų108.141%0.40555%0.548SS..Hα-helixtrans-61.9-36.5174.2-71.1164.3000110.7L1078 Q1079 R1086L1078-I1082 HydrophobicContact CD1-CD1 4.21Å; L1078-I1082 HydrophobicContact CD1-CG1 4.47Å; L1078-I1082 HydrophobicContact CG-CD1 3.97Å; L1078-I1082 WeakPolarHBondContact O-CB 3.22Å; L1078-I1082 VanDerWaalsContact O-CG1 3.24Å; L1078-I1082 WeakPolarHBondContact O-CG1 3.31Å; L1078-I1082 PolarHBondContact O-N 3.01Å; Q1079-I1082 PolarHBondContact O-N 3.26Å; I1082-R1086 VanDerWaalsContact O-CB 3.29Å; I1082-R1086 WeakPolarHBondContact O-CB 3.49Å; I1082-R1086 VanDerWaalsContact O-CG 3.22Å; I1082-R1086 WeakPolarHBondContact O-CG 3.25Å; I1082-R1086 PolarHBondContact O-N 3.42Å
1083Q85.4Confident73.7Confident115 Ų115112.1 Ų112.154%0.53757%0.565SS.*Hα-helixtrans-76-36.3-179.7-155.9159.515.300112.3Q1079 A1080 Q1081 Q1087Q1079-Q1083 VanDerWaalsContact O-CB 3.29Å; Q1079-Q1083 WeakPolarHBondContact O-CB 3.31Å; Q1079-Q1083 PolarHBondContact O-N 2.9Å; A1080-Q1083 PolarHBondContact O-N 3.48Å; Q1081-Q1083 VanDerWaalsContact C-N 3.26Å; Q1081-Q1083 PolarHBondContact O-N 3.32Å; Q1083-Q1087 WeakPolarHBondContact O-CG 3.37Å; Q1083-Q1087 PolarHBondContact O-N 3.21Å
1084L89.1Confident72.2Confident97 Ų97114.5 Ų114.551%0.50858%0.581SS.*Hα-helixtrans-65.8-46.1169.2-81.7161.1000111.8A1080 Q1081 R1086 Q1087 Q1088A1080-L1084 WeakPolarHBondContact O-CB 3.41Å; A1080-L1084 WeakPolarHBondContact O-CG 3.28Å; A1080-L1084 PolarHBondContact O-N 3.49Å; Q1081-L1084 PolarHBondContact O-N 3.01Å; L1084-R1086 VanDerWaalsContact C-N 3.3Å; L1084-R1086 PolarHBondContact O-N 3Å; L1084-Q1087 WeakPolarHBondContact O-CB 3.25Å; L1084-Q1087 PolarHBondContact O-N 2.81Å; L1084-Q1087 VanDerWaalsContact O-N 3.08Å; L1084-Q1088 WeakPolarHBondContact O-CG 3.33Å; L1084-Q1088 PolarHBondContact O-N 3.05Å
1085Q80.4Confident70.1Confident109 Ų109118.6 Ų118.651%0.50959%0.592SS.*Hα-helixtrans-63.2-38.2176.2-173.4173.265.900111Q1081 Q1088 F1089Q1081-Q1085 WeakPolarHBondContact O-CB 3.34Å; Q1081-Q1085 PolarHBondContact O-N 2.92Å; Q1085-Q1088 PolarHBondContact O-N 3.27Å; Q1085-F1089 HydrophobicContact CG-CD2 3.75Å; Q1085-F1089 HydrophobicContact CG-CE2 3.6Å; Q1085-F1089 VanDerWaalsContact O-CD2 3.24Å; Q1085-F1089 WeakPolarHBondContact O-CD2 3.33Å; Q1085-F1089 PolarHBondContact O-N 2.88Å
1086R75.4Confident68.1Low176 Ų176119 Ų11966%0.66460%0.601SS**Hα-helixtrans-61.1-42169.6-82.4172166.2-83.4-0.9112.5I1082 L1084 F1089 S1090I1082-R1086 VanDerWaalsContact O-CB 3.29Å; I1082-R1086 WeakPolarHBondContact O-CB 3.49Å; I1082-R1086 VanDerWaalsContact O-CG 3.22Å; I1082-R1086 WeakPolarHBondContact O-CG 3.25Å; I1082-R1086 PolarHBondContact O-N 3.42Å; L1084-R1086 VanDerWaalsContact C-N 3.3Å; L1084-R1086 PolarHBondContact O-N 3Å; R1086-F1089 PolarHBondContact O-N 3.46Å; R1086-S1090 VanDerWaalsContact O-CB 3.27Å; R1086-S1090 WeakPolarHBondContact O-CB 3.09Å; R1086-S1090 PolarHBondContact O-N 3.21Å; R1086-S1090 PolarHBondContact O-OG 3.02Å
1087Q73Confident65.7Low122 Ų122120 Ų12057%0.5761%0.609SS**Hα-helixtrans-64.7-45.2174.4-72.8-179.44300111.6Q1083 L1084 F1089 S1090 I1091Q1083-Q1087 WeakPolarHBondContact O-CG 3.37Å; Q1083-Q1087 PolarHBondContact O-N 3.21Å; L1084-Q1087 WeakPolarHBondContact O-CB 3.25Å; L1084-Q1087 PolarHBondContact O-N 2.81Å; L1084-Q1087 VanDerWaalsContact O-N 3.08Å; Q1087-F1089 VanDerWaalsContact C-N 3.27Å; Q1087-F1089 PolarHBondContact O-N 3.39Å; Q1087-S1090 PolarHBondContact O-N 2.76Å; Q1087-I1091 PolarHBondContact O-N 3.37Å
1088Q63.5Low63.2Low137 Ų137119.9 Ų119.964%0.6462%0.62SS**Hα-helixtrans-62.5-28.8177.8-72.7179.7-18.700113.7L1084 Q1085 I1091L1084-Q1088 WeakPolarHBondContact O-CG 3.33Å; L1084-Q1088 PolarHBondContact O-N 3.05Å; Q1085-Q1088 PolarHBondContact O-N 3.27Å; Q1088-I1091 VanDerWaalsContact O-CG1 3.28Å; Q1088-I1091 WeakPolarHBondContact O-CG1 3.45Å
1089F53.8Low60.6Low155 Ų155123 Ų12368%0.6863%0.634SS**Hα-helixtrans-91.9-3.3170.6-70.9-59.4000114.6Q1085 R1086 Q1087Q1085-F1089 HydrophobicContact CG-CD2 3.75Å; Q1085-F1089 HydrophobicContact CG-CE2 3.6Å; Q1085-F1089 VanDerWaalsContact O-CD2 3.24Å; Q1085-F1089 WeakPolarHBondContact O-CD2 3.33Å; Q1085-F1089 PolarHBondContact O-N 2.88Å; R1086-F1089 PolarHBondContact O-N 3.46Å; Q1087-F1089 VanDerWaalsContact C-N 3.27Å; Q1087-F1089 PolarHBondContact O-N 3.39Å
1090S46.8Very low57.8Low91 Ų91124.9 Ų124.964%0.63664%0.641SS**Hα-helixtrans-98.3-4.8176.3-58.90000113.7R1086 Q1087 S1092R1086-S1090 VanDerWaalsContact O-CB 3.27Å; R1086-S1090 WeakPolarHBondContact O-CB 3.09Å; R1086-S1090 PolarHBondContact O-N 3.21Å; R1086-S1090 PolarHBondContact O-OG 3.02Å; Q1087-S1090 PolarHBondContact O-N 2.76Å; S1090-S1092 VanDerWaalsContact C-N 3.31Å; S1090-S1092 PolarHBondContact O-N 3.2Å
1091I50.9Low55.2Low145 Ų145130.2 Ų130.274%0.74466%0.663SS**THydrogen-bonded Turntrans-89.52117955.1169.1000113.9Q1087 Q1088Q1087-I1091 PolarHBondContact O-N 3.37Å; Q1088-I1091 VanDerWaalsContact O-CG1 3.28Å; Q1088-I1091 WeakPolarHBondContact O-CG1 3.45Å
1092S45.2Very low52.5Low97 Ų97129.7 Ų129.768%0.67868%0.681SS**THydrogen-bonded Turntrans-136.725.3-174.5740000116.5S1090S1090-S1092 VanDerWaalsContact C-N 3.31Å; S1090-S1092 PolarHBondContact O-N 3.2Å
1093E42.2Very low49.7Very low196 Ų196135.8 Ų135.892%0.91670%0.704SS**SBendtrans-148.152.2158.9-156.4174.9129.800112.5
1094D43.9Very low47Very low155 Ų155140.1 Ų140.183%0.82972%0.722SS**  trans-138.9125.4165.8-144.9-31.3000111.2
1095Q30.7Very low43.9Very low178 Ų178140.1 Ų140.183%0.83273%0.729SS**  trans-153.9152.5178.8-106.9-140.1-18.300109.9
1096P42Very low41.4Very low110 Ų110140.5 Ų140.571%0.71474%0.744SS**  -90145.1-128.9-13.730.6000114.9A1098P1096-A1098 VanDerWaalsContact C-N 3.29Å; P1096-A1098 PolarHBondContact O-N 3Å
1097L33.4Very low39Very low146 Ų146138.2 Ų138.276%0.76475%0.745SS**  trans-72.378170.5-72.2171.6000111.8
1098A35.2Very low36.6Very low76 Ų76138.2 Ų138.263%0.62876%0.757SS**  trans-64.6140.8168.900000111.1S882 P1096S882-A1098 WeakPolarHBondContact CB-O 3.48Å; S882-A1098 PolarHBondContact OG-O 2.74Å; P1096-A1098 VanDerWaalsContact C-N 3.29Å; P1096-A1098 PolarHBondContact O-N 3Å
1099M33.5Very low35.1Very low139 Ų139137.6 Ų137.669%0.68577%0.765SS**  trans-82.4141.6-175-65.1152.959.800111.6V885V885-M1099 HydrophobicContact CG2-CE 4.14Å; V885-M1099 HydrophobicContact CG2-CG 4.08Å; V885-M1099 HydrophobicContact CG2-SD 3.94Å
1100K30Very low33.8Very low165 Ų165134.6 Ų134.672%0.71776%0.764SS**  trans-123.4107171.3-174.9159.6-173.6127.10112.8
1101N30.3Very low32.9Very low158 Ų158139.6 Ų139.685%0.84578%0.777SS**  trans-56.1137.9166.4-81.8-14.1000111
1102G29Very low31.8Very low77 Ų77139.1 Ų139.179%0.79478%0.776SS**  trans-100.4165.9-175.300000114.2
1103K29Very low31.1Very low207 Ų207138.2 Ų138.290%0.978%0.782SS**  trans-154.3129.6151.5-154.8166.1-174.6175.40109.4
1104K29.2Very low30.5Very low207 Ų207135.6 Ų135.690%0.977%0.774SS**  trans-114.5135.1156.5-85.8-173.8173.4-178.40106.4
1105S24.8Very low29.8Very low96 Ų96135.4 Ų135.467%0.67177%0.773SS**  trans-82.1147.6162.9144.80000108.7D1107S1105-D1107 PolarHBondContact OG-OD2 3.22Å
1106S27.2Very low30Very low118 Ų118135.3 Ų135.383%0.82577%0.773SS**  trans-166.258.5169.3-1780000108.3
1107D25.4Very low29.6Very low128 Ų128137.8 Ų137.868%0.68478%0.779SS**  trans-56.9134.7174.1-52.1-101.1000109.7S1105S1105-D1107 PolarHBondContact OG-OD2 3.22Å
1108C23.3Very low29.8Very low121 Ų121137 Ų13782%0.81878%0.783SS**  174.3167.998.6-89.20000108.7
1109P31.2Very low29.4Very low125 Ų125136.5 Ų136.581%0.81279%0.785SS**  cis-125.5-178.511.642.1-27.7000115.5
1110S26.4Very low29.2Very low92 Ų92136.5 Ų136.564%0.64380%0.797SS**  trans-70.3150.2178.9-176.10000114.7N1112S1110-N1112 PolarHBondContact OG-OD1 2.99Å
1111Q28.7Very low29Very low196 Ų196134.2 Ų134.292%0.91680%0.802SS**  trans-127.1142.8133.6-86.4-168.7-32.400109.3
1112N27.7Very low29.8Very low135 Ų135132 Ų13272%0.72280%0.796SS**  trans-75.8157.2-173.4-84.332.1000113.7S1110 D1114S1110-N1112 PolarHBondContact OG-OD1 2.99Å; N1112-D1114 PolarHBondContact ND2-OD2 3.3Å
1113G30Very low29.7Very low78 Ų78135.6 Ų135.680%0.80480%0.797SS**  trans-164.969.8169.900000109.7N1115G1113-N1115 PolarHBondContact O-N 3.09Å
1114D30.1Very low29.9Very low141 Ų141129.9 Ų129.975%0.75479%0.789SS**  trans-60128.3-178.4-70.3-98.6000112.5N1112N1112-D1114 PolarHBondContact ND2-OD2 3.3Å
1115N28.8Very low29.9Very low151 Ų151123.7 Ų123.781%0.80778%0.784SS**  trans-156.990.8152-151.52.3000112.3G1113G1113-N1115 PolarHBondContact O-N 3.09Å
1116E35Very low30.7Very low176 Ų176129.4 Ų129.482%0.82280%0.796SS**  trans53.4141.9147.2-57.6-78.573.500121.8
1117L34Very low30.9Very low162 Ų162127.5 Ų127.585%0.84880%0.795SS**  trans-80.4-179.6177.7-62.5167.5000111.8
1118P36.6Very low31.2Very low129 Ų129127.3 Ų127.384%0.83880%0.804SS**  cis-128.3-178.90.341.1-24.2000113.8
1119G27Very low32.1Very low66 Ų66130.3 Ų130.368%0.6881%0.808SS**  cis171.9-159.5-1.600000112.5
1120C30.3Very low32.2Very low139 Ų139127.8 Ų127.894%0.93981%0.805SS**  trans7273.4171.9-64.90000119.2
1121S24.9Very low32.9Very low117 Ų117129.8 Ų129.882%0.81881%0.813SS**  trans-98.6168.5132.5-157.10000107
1122P46.7Very low33.8Very low110 Ų110127.9 Ų127.971%0.71481%0.808SS**  cis-125.2-151.51046.6-27.5000111.1
1123D27.1Very low34.7Very low154 Ų154126.3 Ų126.382%0.82480%0.799SS**  cis-148.4-170.735.9-157-103.6000114
1124A33Very low35.6Very low87 Ų87128.6 Ų128.672%0.71979%0.793SS**  trans-115.4148.2-155.100000115.5
1125G30.6Very low36.9Very low77 Ų77127.5 Ų127.579%0.79479%0.787SS**  trans-142.9125.2170.400000111.8
1126K41.2Very low38.1Very low216 Ų216125.2 Ų125.294%0.93978%0.778SS**  trans-99.797.4-174.5-71.9179.6-178.9171.40113.1
1127G31.4Very low38.7Very low78 Ų78122.7 Ų122.780%0.80477%0.77SS**  trans76.2141.4142.500000119.9
1128S31.7Very low39.5Very low123 Ų123121.2 Ų121.286%0.8676%0.76SS**  trans-158.9162144.8-174.80000109
1129M41.6Very low40.2Very low184 Ų184118.8 Ų118.891%0.90675%0.751SS**  trans-72.9145.9158.9-6517272.300109.2
1130G33.5Very low41.1Very low72 Ų72123.7 Ų123.774%0.74276%0.756SS**  trans-139.4119.3176.800000110
1131T40.9Very low41.6Very low135 Ų135125.2 Ų125.283%0.82875%0.75SS**  trans-33139.7168.744.30000115.9
1132I47.1Very low42Very low156 Ų156127.4 Ų127.480%0.875%0.747SS**  trans-62.4131.7153.3-78.4172.8000107.6
1133D47.6Very low41.2Very low101 Ų101126.6 Ų126.654%0.5475%0.749SS.*  trans-78138.4174.1-157.2-23.8000110.1D1135D1133-D1135 VanDerWaalsContact C-N 3.28Å; D1133-D1135 PolarHBondContact OD1-N 3.4Å
1134L49.3Very low41.4Very low127 Ų127124.7 Ų124.767%0.66574%0.743SS**Hα-helixtrans-73.2-27-179.3-160.268.9000111.1L1137 M1138L1134-L1137 HydrophobicContact CD1-CD2 4.38Å; L1134-L1137 PolarHBondContact O-N 3.48Å; L1134-M1138 PolarHBondContact O-N 3.29Å
1135D55.8Low41.1Very low118 Ų118132.3 Ų132.363%0.63175%0.753SS**Hα-helixtrans-65.7-38.3178-144.343.6000111.4D1133 L1137 M1138 A1139D1133-D1135 VanDerWaalsContact C-N 3.28Å; D1133-D1135 PolarHBondContact OD1-N 3.4Å; D1135-L1137 VanDerWaalsContact C-N 3.29Å; D1135-L1137 PolarHBondContact O-N 3.25Å; D1135-M1138 PolarHBondContact O-N 2.93Å; D1135-A1139 PolarHBondContact O-N 3.38Å
1136T53.9Low40.9Very low102 Ų102138.6 Ų138.663%0.62676%0.755SS**Hα-helixtrans-67.4-27.6174.3-53.40000112.7A1139T1136-A1139 PolarHBondContact O-N 3.49Å
1137L49.1Very low40.6Very low124 Ų124134 Ų13465%0.64974%0.744SS**Hα-helixtrans-75.8-26.9178.3-169.965.3000112.5L1134 D1135L1134-L1137 HydrophobicContact CD1-CD2 4.38Å; L1134-L1137 PolarHBondContact O-N 3.48Å; D1135-L1137 VanDerWaalsContact C-N 3.29Å; D1135-L1137 PolarHBondContact O-N 3.25Å
1138M49.7Very low40.8Very low130 Ų130135.8 Ų135.864%0.6474%0.742SS**Hα-helixtrans-82.1-14.6175.1-60.5-156.6-56.200113.2L1134 D1135 E1140L1134-M1138 PolarHBondContact O-N 3.29Å; D1135-M1138 PolarHBondContact O-N 2.93Å; M1138-E1140 PolarHBondContact O-N 2.99Å
1139A51Low40.8Very low79 Ų79135.1 Ų135.165%0.65374%0.737SS**THydrogen-bonded Turntrans-76.6-13.3-173.700000115.5D1135 T1136D1135-A1139 PolarHBondContact O-N 3.38Å; T1136-A1139 PolarHBondContact O-N 3.49Å
1140E47.8Very low40.3Very low169 Ų169133.2 Ų133.279%0.7973%0.731SS**THydrogen-bonded Turntrans-123.327.4-170.1-149.2177.1-175.500114.6M1138M1138-E1140 PolarHBondContact O-N 2.99Å
1141Q39.7Very low40.2Very low171 Ų171138.5 Ų138.580%0.79973%0.733SS**  trans-136.360174.3-74.3-64.5-79.400113.7
1142H33Very low39.9Very low163 Ų163137.6 Ų137.676%0.75573%0.728SS**  trans-115.189.9169.8-81.1-65.3000112.7
1143A31.1Very low39.2Very low93 Ų93137.4 Ų137.477%0.76973%0.725SS**  trans-134.357.3164.900000109.7
1144T29.8Very low38.5Very low113 Ų113140.2 Ų140.269%0.69374%0.737SS**  trans-75.3125.3-178.8-49.20000110.5
1145W27.9Very low37.9Very low247 Ų247141.2 Ų141.294%0.93674%0.743SS**  trans-65.2141.6173.9-67.172000110.6
1146Y26.8Very low36.7Very low209 Ų209138.7 Ų138.782%0.8275%0.745SS**  trans-123.8131.6176.5-137.2-90.7000111.5
1147V34.4Very low35.8Very low120 Ų120139 Ų13973%0.72775%0.752SS**  trans-96.5142.5172.91760000107.9
1148P35.1Very low35.2Very low116 Ų116142.2 Ų142.275%0.75376%0.763SS**  trans-60.3147.4-172-25.635.4000114.5
1149S32.4Very low34.6Very low109 Ų109143.3 Ų143.376%0.76277%0.772SS**  trans-154.1115.4166.5-75.60000109.6
1150D30.8Very low33.7Very low143 Ų143145.3 Ų145.377%0.76577%0.771SS**  trans-74.2137.2-177-49.5-93.7000112.8
1151K32.1Very low33Very low183 Ų183145.2 Ų145.280%0.79677%0.768SS**  162.1122.7117.5-85.5148.6-164.61590115.1
1152T33.2Very low32.7Very low116 Ų116141 Ų14171%0.71276%0.763SS**  trans59.7112.4137.461.90000122.7
1153M33.2Very low32.6Very low153 Ų153142.4 Ų142.475%0.75477%0.772SS**  78.1135.5120-77-175.1168.400123
1154M33.6Very low32.6Very low160 Ų160141.7 Ų141.779%0.78877%0.773SS**  trans66.2151.4150.5-64.9-62.7-167.300117.5
1155D35.6Very low33.8Very low148 Ų148141.9 Ų141.979%0.79178%0.777SS**  cis-166-169.7-28.6-157.7-96.8000106.8
1156G30.7Very low33.8Very low65 Ų65142.1 Ų142.167%0.6778%0.777SS**  trans86.7100.3154.600000117.6
1157S35.4Very low34.1Very low109 Ų109138.5 Ų138.576%0.76277%0.768SS**  trans-80.3146.8154.354.40000111.4
1158E35.3Very low34Very low191 Ų191139.6 Ų139.689%0.89376%0.763SS**  -175.7165.7120.255.2-169.5102.600113.1
1159D37.4Very low33.6Very low153 Ų153141.5 Ų141.582%0.81877%0.767SS**  trans-87.1166.5-169.2-62.4-107000114.7
1160D32.8Very low33.3Very low121 Ų121145.1 Ų145.165%0.64777%0.769SS**  146.6143.6113.3-163.4-143.2000116
1161K32.6Very low33.2Very low166 Ų166143 Ų14372%0.72277%0.766SS**  trans43.5113.2157.2-85.1171.1-15170.80122.8
1162A33.4Very low33Very low83 Ų83143.4 Ų143.469%0.68677%0.77SS**  105.1127.710200000122.2
1163M30.9Very low32.7Very low193 Ų193144.9 Ų144.995%0.95177%0.774SS**  trans65.9125.4134.7-63.9-79.2-103.200121.5
1164G31.5Very low32.4Very low77 Ų77142.3 Ų142.379%0.79477%0.771SS**  trans128.8109.1143.600000117.6
1165P55.3Low31.9Very low118 Ų118140.3 Ų140.377%0.76677%0.773SS**  trans-108147.5174.937.7-30.7000114.1
1166W28.2Very low31.5Very low251 Ų251142.2 Ų142.295%0.95177%0.774SS**  trans175.3163.3163.1-90.5-1.3000108.5
1167E31.2Very low31.3Very low134 Ų134148.4 Ų148.463%0.62679%0.786SS**  cis-163.7166.6-26-107.3-112.110500108.6
1168K32.2Very low30.7Very low143 Ų143151.8 Ų151.862%0.62279%0.789SS**  trans-7.9144.1167.6-49.3173.7-176.568.70120.3
1169N28.5Very low30.2Very low156 Ų156147.9 Ų147.983%0.83478%0.783SS**  -175.7-164.193-105.3-41.8000115.8
1170K26.3Very low29.6Very low184 Ų184148.7 Ų148.780%0.878%0.782SS**  trans-152.9161.4-147.5177.7-178.1175.2-179.30113.5
1171S27.4Very low29.4Very low100 Ų100149.6 Ų149.670%0.69979%0.786SS**  trans89161.5172-32.90000114.5
1172Q27.3Very low29.1Very low191 Ų191146 Ų14689%0.89378%0.782SS**  cis-144.8-161.115.8-153.5161.4-70.100113.2
1173N28.3Very low28.8Very low146 Ų146151 Ų15178%0.78179%0.791SS**  trans-144.9146.6-154.4-179.233.7000115.3
1174S25.5Very low28.5Very low99 Ų99146.7 Ų146.769%0.69278%0.78SS**  trans53.6127.1148.4163.50000122.9
1175S23.7Very low28.6Very low119 Ų119151.5 Ų151.583%0.83278%0.779SS**  -163.2172.6119.259.60000113.3
1176K27.3Very low27.4Very low187 Ų187151.7 Ų151.781%0.81378%0.778SS**  trans-101.1167.8-175-52.1170-179.1175.50112.2
1177E25.7Very low27.3Very low196 Ų196143.1 Ų143.192%0.91677%0.768SS**  -174.9-166.6107.4-101.7164.7-169.900113.3
1178E23Very low27.3Very low179 Ų179141.6 Ų141.684%0.83678%0.778SS**  trans-134.7142.7-143.6171.3-176150.600114.4
1179S25.2Very low27.1Very low110 Ų110141.9 Ų141.977%0.76979%0.791SS**  trans175.7137.2140.7-81.20000117.6
1180E25.1Very low27.1Very low169 Ų169138.4 Ų138.479%0.7979%0.785SS**  trans36.1131.3142.4-59-154.2106.700128
1181L28.6Very low27.8Very low141 Ų141134.6 Ų134.674%0.73878%0.779SS**  trans44.1127.6135.9-79.8103.1000124.8
1182S26Very low27.8Very low91 Ų91133.3 Ų133.364%0.63678%0.781SS**  159.3138.4104.4-81.10000117.6
1183Q27.8Very low27.9Very low187 Ų187128.7 Ų128.787%0.87478%0.776SS**  trans61.1164.2147-61.1174.926.400118.3
1184S25.3Very low27.9Very low103 Ų103125.6 Ų125.672%0.7278%0.778SS**  cis-148.1160.5-5.1410000107.6
1185K31.7Very low28.1Very low178 Ų178125 Ų12577%0.77479%0.788SS**  cis74.5112.838.7-172.3-89.2174.1-168.20112.4
1186T30.1Very low28.3Very low121 Ų121123.3 Ų123.374%0.74279%0.789SS**  cis-137.5-162.920.3-11.10000109.7
1187G27.2Very low28.3Very low71 Ų71118.2 Ų118.273%0.73279%0.79SS**  cis176.6-170.66.700000111.4
1188A30.9Very low28.4Very low103 Ų103113.1 Ų113.185%0.85179%0.79SS**  trans-153.1150.6-178.500000114.3
1189V27.5Very low28.6Very low148 Ų148108.5 Ų108.590%0.89779%0.79SS**  trans-152.7145.2170.1-177.50000112.2
1190A30.3Very low28.9Very low84 Ų84109.2 Ų109.269%0.69480%0.795SS**  trans-141.9162.3156.100000106.4
1191P39.8Very low29.1Very low103 Ų103107.4 Ų107.467%0.66980%0.801SS**  cis-147.4-160.642.643.5-22.1000114.7
1192G27.2Very low29.2Very low73 Ų73104.3 Ų104.375%0.75380%0.803SS**  trans148.9118.1156.100000117
1193A30.6Very low29.3Very low95 Ų95103.8 Ų103.879%0.78581%0.813SS**  trans-72.2168.2-171.300000118
1194G28.3Very low29.4Very low80 Ų80103 Ų10383%0.82581%0.814SS**  trans13413314100000118.1
1195G27.9Very low29.7Very low87 Ų87105 Ų10590%0.89781%0.812SS**  trans96.214516500000115.7
1196G28.2Very low29.8Very low83 Ų83104.7 Ų104.786%0.85682%0.818SS**  trans-156.3-176.1176.500000112
1197G27.2Very low29.9Very low81 Ų81105.8 Ų105.884%0.83582%0.815SS**  trans122114.2171.800000115.2
1198G27.6Very low30.1Very low89 Ų89108.7 Ų108.792%0.91882%0.822SS**  trans52.2122.8145.500000121.3
1199G28.7Very low30.1Very low82 Ų82111.1 Ų111.185%0.84582%0.82SS**  trans-177.6107.5163.600000113.1
1200S30.5Very low30Very low124 Ų124108.9 Ų108.987%0.86781%0.811SS**  trans-95.5171175.6-61.60000112.3
1201S30.5Very low29.9Very low132 Ų132111 Ų11192%0.92382%0.815SS**  trans80132.4179.4-156.50000114.9
1202G29.2Very low29.4Very low75 Ų75113.7 Ų113.777%0.77382%0.818SS**  cis172.1177.3-3.400000112.1
1203G29.6Very low29.5Very low81 Ų81116.2 Ų116.284%0.83582%0.823SS**  trans124.9127.617100000115
1204N29.4Very low29.6Very low170 Ų170117.8 Ų117.891%0.90982%0.823SS**  trans-79.9144.1175.9-70.5-34.8000112
1205H30.7Very low29.9Very low144 Ų144121.7 Ų121.767%0.66783%0.825SS**  trans-157.7116.5139.9-172.4-131.9000111.1Q1207H1205-Q1207 VanDerWaalsContact CE1-CG 3.48Å; H1205-Q1207 WeakPolarHBondContact CE1-CG 3.3Å; H1205-Q1207 PolarHBondContact CE1-NE2 3.48Å; H1205-Q1207 PolarHBondContact NE2-NE2 3.21Å
1206L34.3Very low30.1Very low172 Ų172126.5 Ų126.590%0.90182%0.824SS**  trans-87.1116.8166.5-73.9168.7000108.7
1207Q31.2Very low30.7Very low145 Ų145130.6 Ų130.668%0.67883%0.826SS**  trans-142.3129.5158.2-100-176.514.800111.3H1205H1205-Q1207 VanDerWaalsContact CE1-CG 3.48Å; H1205-Q1207 WeakPolarHBondContact CE1-CG 3.3Å; H1205-Q1207 PolarHBondContact CE1-NE2 3.48Å; H1205-Q1207 PolarHBondContact NE2-NE2 3.21Å
1208C31.9Very low30.8Very low131 Ų131130.2 Ų130.289%0.88582%0.821SS**  trans-75131.4170.8-530000109.2
1209L30.4Very low31.2Very low154 Ų154133.4 Ų133.481%0.80682%0.818SS**  trans-119.1115.4168.7-75176.8000110.9
1210S26Very low31.3Very low102 Ų102134.9 Ų134.971%0.71382%0.815SS**  trans-63.3138.1167.3-177.50000109.9
1211V29.5Very low31.4Very low129 Ų129139.4 Ų139.478%0.78282%0.819SS**  trans-97.297.3176.6-163.10000108.9
1212H28.7Very low31.4Very low158 Ų158136.7 Ų136.773%0.73181%0.812SS**  trans-72.8126.6167.7-84.3-107.4000110T1214H1212-T1214 PolarHBondContact O-N 2.98Å
1213C28.7Very low31.7Very low127 Ų127145.3 Ų145.386%0.85882%0.821SS**  trans-88.594.1166.7-65.50000109.4
1214T32.6Very low32Very low127 Ų127145.5 Ų145.578%0.77982%0.823SS**  trans-85.2128.7167.144.50000110.5H1212H1212-T1214 PolarHBondContact O-N 2.98Å
1215D35.9Very low32Very low162 Ų162140.1 Ų140.187%0.86681%0.808SS**  trans-81.2122.8170.7-178.549.3000109.5
1216E31.5Very low32.5Very low189 Ų189139.5 Ų139.588%0.88382%0.816SS**  trans-145.4130.2169-156.7-173.4129.200110.8
1217L39.9Very low32.6Very low169 Ų169136.5 Ų136.589%0.88581%0.805SS**  trans-113.695.3-169.1-175.570.6000111.4
1218G30.9Very low33Very low72 Ų72135.2 Ų135.274%0.74281%0.812SS**  trans-95106.7179.200000114.1
1219D34.1Very low33.5Very low157 Ų157132.5 Ų132.584%0.8480%0.795SS**  trans-81.6122.2174.4-157.5-36.8000110.8
1220S32Very low33.8Very low113 Ų113135.3 Ų135.379%0.7980%0.795SS**  trans-157.9124.3179.2-87.50000114.1G1222S1220-G1222 PolarHBondContact O-N 3.38Å
1221K33Very low34.4Very low218 Ų218140.8 Ų140.895%0.94880%0.8SS**  trans-99.172.3-163.6-168173.2-179.1173.50113.3
1222G30.6Very low35.1Very low75 Ų75138.3 Ų138.377%0.77379%0.788SS**  trans-96.9164.4178.100000115.2S1220S1220-G1222 PolarHBondContact O-N 3.38Å
1223R34Very low35.9Very low256 Ų256135.8 Ų135.897%0.96678%0.779SS**  trans-90.4121.3-177.5-72.5-173.9179.3-167.45114.1
1224G36.8Very low36.6Very low85 Ų85136.9 Ų136.988%0.87677%0.771SS**  66.696.4126.200000120.1
1225G30.3Very low37.1Very low58 Ų58134 Ų13460%0.59876%0.757SS**  trans-161.6148158.900000110.7
1226P40.9Very low37.6Very low130 Ų130129.7 Ų129.784%0.84473%0.733SS**  trans-77.5125.2-18030.4-33.1000111.6S1228P1226-S1228 PolarHBondContact O-N 3.49Å
1227V34.8Very low38.6Very low110 Ų110125.6 Ų125.667%0.66772%0.716SS**  trans-95.598.8-173.7-1730000111.6S1229V1227-S1229 PolarHBondContact O-N 2.91Å
1228S39.5Very low39.1Very low117 Ų117121.2 Ų121.282%0.81870%0.7SS**G310 helixtrans-74.40.2-178.9-53.70000115.6P1226 W1230P1226-S1228 PolarHBondContact O-N 3.49Å; S1228-W1230 PolarHBondContact O-N 2.88Å
1229S43.6Very low39.8Very low75 Ų75123.1 Ų123.152%0.52469%0.693SS.*G310 helixtrans-75.4-18.5-164.8-1560000115.7V1227 R1231 S1232V1227-S1229 PolarHBondContact O-N 2.91Å; S1229-R1231 PolarHBondContact O-N 3.39Å; S1229-S1232 PolarHBondContact O-N 3.49Å
1230W36.7Very low40.8Very low212 Ų212123.6 Ų123.680%0.80368%0.683SS**G310 helixtrans-66.3-9-169.9-81.681.8000116.3S1228S1228-W1230 PolarHBondContact O-N 2.88Å
1231R39.4Very low41.8Very low218 Ų218125.5 Ų125.582%0.82368%0.677SS**G310 helixtrans-86.6-23.5171.2-76.2-177.1172.4-107.3-0.4113.9S1229 S1235S1229-R1231 PolarHBondContact O-N 3.39Å; R1231-S1235 PolarHBondContact O-OG 3.03Å
1232S44.2Very low42.8Very low77 Ų77117 Ų11754%0.53865%0.652SS.*Hα-helixtrans-71.8-37.9-170.5-155.60000113.3S1229 H1234 S1235 D1236S1229-S1232 PolarHBondContact O-N 3.49Å; S1232-H1234 VanDerWaalsContact C-N 3.35Å; S1232-H1234 PolarHBondContact O-N 2.98Å; S1232-S1235 PolarHBondContact O-N 3.31Å; S1232-S1235 VanDerWaalsContact O-N 3.11Å; S1232-D1236 PolarHBondContact O-N 3.47Å
1233I45.3Very low43.8Very low105 Ų105118.2 Ų118.254%0.53865%0.645SS.*Hα-helixtrans-64.8-38.9-176.5-56.9174.8000111.3I1237I1233-I1237 HydrophobicContact CG2-CD1 3.97Å; I1233-I1237 WeakPolarHBondContact O-CG1 3.36Å; I1233-I1237 PolarHBondContact O-N 2.72Å
1234H41.9Very low44.3Very low149 Ų149113.3 Ų113.369%0.6963%0.63SS**Hα-helixtrans-66.8-35.1174.4-83.6-93.4000112.6S1232 S1238S1232-H1234 VanDerWaalsContact C-N 3.35Å; S1232-H1234 PolarHBondContact O-N 2.98Å; H1234-S1238 WeakPolarHBondContact O-CB 3.47Å; H1234-S1238 PolarHBondContact O-N 3.06Å
1235S44.5Very low45.4Very low68 Ų68113.3 Ų113.348%0.47661%0.613SS.*Hα-helixtrans-70-41.4177.3-660000112.8R1231 S1232 S1238 N1239R1231-S1235 PolarHBondContact O-OG 3.03Å; S1232-S1235 PolarHBondContact O-N 3.31Å; S1232-S1235 VanDerWaalsContact O-N 3.11Å; S1235-S1238 PolarHBondContact O-N 3.23Å; S1235-N1239 WeakPolarHBondContact O-CB 3.46Å; S1235-N1239 PolarHBondContact O-N 3.2Å
1236D46.3Very low46.5Very low71 Ų71114.1 Ų114.138%0.3862%0.615SS.*Hα-helixtrans-68.3-43.9179.9-163.7-0.7000111.6S1232 S1238 N1239 R1240S1232-D1236 PolarHBondContact O-N 3.47Å; D1236-S1238 VanDerWaalsContact C-N 3.33Å; D1236-S1238 PolarHBondContact O-N 3.31Å; D1236-N1239 PolarHBondContact O-N 2.96Å; D1236-R1240 VanDerWaalsContact CG-NH2 3.31Å; D1236-R1240 WeakPolarHBondContact O-CG 3.18Å; D1236-R1240 PolarHBondContact O-N 3.21Å; D1236-R1240 IonicContact OD1-CZ 3.96Å; D1236-R1240 VanDerWaalsContact OD1-CZ 3.3Å; D1236-R1240 IonicContact OD1-NE 3.04Å; D1236-R1240 PolarHBondContact OD1-NE 3.3Å; D1236-R1240 IonicContact OD1-NH2 3.3Å; D1236-R1240 PolarHBondContact OD1-NH2 3.13Å; D1236-R1240 IonicContact OD2-CZ 3.96Å; D1236-R1240 IonicContact OD2-NE 2.79Å; D1236-R1240 IonicContact OD2-NH2 3.64Å; D1236-R1240 PolarHBondContact OD2-NH2 2.8Å
1237I52.8Low46.8Very low102 Ų102111.8 Ų111.852%0.52361%0.606SS.*Hα-helixtrans-60.7-43173.3-65.1169.9000110.9I1233 R1240 F1241I1233-I1237 HydrophobicContact CG2-CD1 3.97Å; I1233-I1237 WeakPolarHBondContact O-CG1 3.36Å; I1233-I1237 PolarHBondContact O-N 2.72Å; I1237-R1240 PolarHBondContact O-N 3.42Å; I1237-F1241 PolarHBondContact O-N 2.9Å
1238S49.9Very low47.3Very low78 Ų78110.9 Ų110.955%0.54560%0.597SS.*Hα-helixtrans-65.2-38.1178-169.90000112.8H1234 S1235 D1236 G1242H1234-S1238 WeakPolarHBondContact O-CB 3.47Å; H1234-S1238 PolarHBondContact O-N 3.06Å; S1235-S1238 PolarHBondContact O-N 3.23Å; D1236-S1238 VanDerWaalsContact C-N 3.33Å; D1236-S1238 PolarHBondContact O-N 3.31Å; S1238-G1242 PolarHBondContact O-N 3.3Å
1239N45.8Very low47.6Very low111 Ų111113.5 Ų113.559%0.59461%0.608SS**Hα-helixtrans-68.5-44.3176.8-82.3-5.5000111.3S1235 D1236 F1241 G1242 T1243S1235-N1239 WeakPolarHBondContact O-CB 3.46Å; S1235-N1239 PolarHBondContact O-N 3.2Å; D1236-N1239 PolarHBondContact O-N 2.96Å; N1239-F1241 VanDerWaalsContact C-N 3.34Å; N1239-F1241 PolarHBondContact O-N 3.36Å; N1239-G1242 PolarHBondContact O-N 3.09Å; N1239-G1242 VanDerWaalsContact O-N 3.12Å; N1239-T1243 PolarHBondContact O-N 3.32Å; N1239-T1243 PolarHBondContact O-OG1 3.48Å; N1239-T1243 VanDerWaalsContact O-OG1 3.08Å
1240R55Low47.8Very low168 Ų168115.4 Ų115.463%0.63461%0.612SS**Hα-helixtrans-63.7-38.7178-66.3177.6-156.9-123.93.8112D1236 I1237 F1244D1236-R1240 VanDerWaalsContact CG-NH2 3.31Å; D1236-R1240 WeakPolarHBondContact O-CG 3.18Å; D1236-R1240 PolarHBondContact O-N 3.21Å; D1236-R1240 IonicContact OD1-CZ 3.96Å; D1236-R1240 VanDerWaalsContact OD1-CZ 3.3Å; D1236-R1240 IonicContact OD1-NE 3.04Å; D1236-R1240 PolarHBondContact OD1-NE 3.3Å; D1236-R1240 IonicContact OD1-NH2 3.3Å; D1236-R1240 PolarHBondContact OD1-NH2 3.13Å; D1236-R1240 IonicContact OD2-CZ 3.96Å; D1236-R1240 IonicContact OD2-NE 2.79Å; D1236-R1240 IonicContact OD2-NH2 3.64Å; D1236-R1240 PolarHBondContact OD2-NH2 2.8Å; I1237-R1240 PolarHBondContact O-N 3.42Å; R1240-F1244 WeakPolarHBondContact O-CB 3.21Å; R1240-F1244 PolarHBondContact O-N 3.3Å
1241F52Low48.4Very low152 Ų152110.3 Ų110.367%0.66760%0.602SS**Hα-helixtrans-64.6-42.5170.7-114.1-89.1000112.4I1237 N1239 F1244 V1245I1237-F1241 PolarHBondContact O-N 2.9Å; N1239-F1241 VanDerWaalsContact C-N 3.34Å; N1239-F1241 PolarHBondContact O-N 3.36Å; F1241-F1244 PolarHBondContact O-N 2.86Å; F1241-V1245 WeakPolarHBondContact O-CG2 3.26Å; F1241-V1245 PolarHBondContact O-N 3.08Å
1242G55Low48.9Very low40 Ų40104.3 Ų104.341%0.41259%0.59SS.*Hα-helixtrans-59.5-47.1176.500000112.8S1238 N1239 F1244 V1245 A1246S1238-G1242 PolarHBondContact O-N 3.3Å; N1239-G1242 PolarHBondContact O-N 3.09Å; N1239-G1242 VanDerWaalsContact O-N 3.12Å; G1242-F1244 PolarHBondContact O-N 2.72Å; G1242-V1245 PolarHBondContact O-N 3.22Å; G1242-A1246 VanDerWaalsContact O-CB 3.28Å; G1242-A1246 WeakPolarHBondContact O-CB 3.33Å; G1242-A1246 PolarHBondContact O-N 2.83Å
1243T51.6Low49.2Very low101 Ų101105.9 Ų105.962%0.6259%0.593SS**Hα-helixtrans-64.6-38176-51.20000112.1N1239 A1246 A1247N1239-T1243 PolarHBondContact O-N 3.32Å; N1239-T1243 PolarHBondContact O-OG1 3.48Å; N1239-T1243 VanDerWaalsContact O-OG1 3.08Å; T1243-A1246 PolarHBondContact O-N 2.83Å; T1243-A1247 WeakPolarHBondContact O-CB 3.32Å; T1243-A1247 PolarHBondContact O-N 3.24Å
1244F43.9Very low49.4Very low152 Ų152106 Ų10667%0.66760%0.596SS**Hα-helixtrans-68.9-36.1179.2-150.5-90.8000112.5R1240 F1241 G1242 L1248R1240-F1244 WeakPolarHBondContact O-CB 3.21Å; R1240-F1244 PolarHBondContact O-N 3.3Å; F1241-F1244 PolarHBondContact O-N 2.86Å; G1242-F1244 PolarHBondContact O-N 2.72Å; F1244-L1248 HydrophobicContact CD1-CD1 3.8Å; F1244-L1248 HydrophobicContact CE1-CD1 3.72Å
1245V59.2Low49.9Very low85 Ų85103.1 Ų103.152%0.51559%0.59SS.*Hα-helixtrans-72.2-40.1173.5173.80000111.4F1241 G1242 A1247 L1248 T1249F1241-V1245 WeakPolarHBondContact O-CG2 3.26Å; F1241-V1245 PolarHBondContact O-N 3.08Å; G1242-V1245 PolarHBondContact O-N 3.22Å; V1245-A1247 PolarHBondContact O-N 2.68Å; V1245-L1248 PolarHBondContact O-N 2.88Å; V1245-L1248 VanDerWaalsContact O-N 3.07Å; V1245-T1249 PolarHBondContact O-N 3.38Å; V1245-T1249 PolarHBondContact O-OG1 3Å
1246A53.4Low50.3Low76 Ų76105.6 Ų105.663%0.62860%0.598SS**Hα-helixtrans-70-12.8177.300000114.3G1242 T1243G1242-A1246 VanDerWaalsContact O-CB 3.28Å; G1242-A1246 WeakPolarHBondContact O-CB 3.33Å; G1242-A1246 PolarHBondContact O-N 2.83Å; T1243-A1246 PolarHBondContact O-N 2.83Å
1247A48.7Very low50.6Low80 Ų80108.3 Ų108.366%0.66162%0.615SS**THydrogen-bonded Turntrans-98.34.3171.300000113.3T1243 V1245T1243-A1247 WeakPolarHBondContact O-CB 3.32Å; T1243-A1247 PolarHBondContact O-N 3.24Å; V1245-A1247 PolarHBondContact O-N 2.68Å
1248L45.8Very low50.4Low91 Ų91108.8 Ų108.848%0.47662%0.623SS.*  trans-124.513.2-179.4-91.5166000112.6F1244 V1245F1244-L1248 HydrophobicContact CD1-CD1 3.8Å; F1244-L1248 HydrophobicContact CE1-CD1 3.72Å; V1245-L1248 PolarHBondContact O-N 2.88Å; V1245-L1248 VanDerWaalsContact O-N 3.07Å
1249T45Very low50.5Low172 Ų172111.6 Ų111.6100%1.05563%0.63SS**  trans-124.90177.4-44.90000109.6V1245V1245-T1249 PolarHBondContact O-N 3.38Å; V1245-T1249 PolarHBondContact O-OG1 3Å

Retrieved 1,249 of 1,249 residues in 351.1 ms (Link to these results)