G4VRY5_SCHMA Loading...

ASXH domain-containing protein

AlphaFold DB , UniProt , Accession G4VRY5, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 1,326 aa.

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(Predicted Aligned Error values between residue pairs)
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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
1M47.1Very low63.8Low240 Ų240146.9 Ų146.9100%1.18279%0.791SS**  0109.10-171.5-168.5-57.900107.6
2Y44Very low64Low238 Ų238151.5 Ų151.593%0.93380%0.799SS**  trans-86.5117.4-171.9-74.4-79.1000112.3
3A55.4Low63.9Low92 Ų92145.8 Ų145.876%0.7678%0.776SS**  trans-100.9111.817600000110.7S5A3-S5 PolarHBondContact O-N 2.91Å
4T66.8Low63.9Low127 Ų127141 Ų14178%0.77977%0.767SS**  trans-94.194.4-178.141.90000112.1K6T4-K6 PolarHBondContact O-N 3.45Å
5S57.1Low64.3Low111 Ų111147.7 Ų147.778%0.77678%0.776SS**  trans-70.578.7179.2-58.50000112.9A3 L7A3-S5 PolarHBondContact O-N 2.91Å; S5-L7 PolarHBondContact O-N 3.45Å
6K67.8Low65.1Low188 Ų188147.6 Ų147.682%0.81778%0.777SS**  trans-70100.6171.5-70.8-157.6174.9-166.20111.1T4 I8T4-K6 PolarHBondContact O-N 3.45Å; K6-I8 PolarHBondContact O-N 3Å
7L66.9Low65.8Low140 Ų140144.4 Ų144.473%0.73377%0.765SS**  trans-58.1121.9163.9-99.3160.7000109.6S5S5-L7 PolarHBondContact O-N 3.45Å
8I72.3Confident66.2Low152 Ų152143.1 Ų143.178%0.77977%0.766SS**  trans-102.9100.1170.6-58.8176.8000106.7K6 P10K6-I8 PolarHBondContact O-N 3Å; I8-P10 WeakPolarHBondContact O-CD 3.11Å
9I78.9Confident66.7Low136 Ų136142.3 Ų142.370%0.69776%0.755SS**  trans-85113.7173.2-57.7174.9000107.3
10P68.5Low67.2Low66 Ų66142.2 Ų142.243%0.42975%0.753SS.*  trans-71.9145.3171.931.1-33.8000110I8 K12 F19I8-P10 WeakPolarHBondContact O-CD 3.11Å; P10-K12 PolarHBondContact O-N 3.09Å; P10-F19 HydrophobicContact CG-CE2 4.26Å
11P77Confident67.5Low126 Ų126139.2 Ų139.282%0.81874%0.742SS**SBendtrans-64.5124.5176.426.3-33.4000111
12K66.7Low68.8Low202 Ų202137.2 Ų137.288%0.87873%0.726SS**  trans23.889.2165.7-66.8-177.1178.1178.70116.2P10P10-K12 PolarHBondContact O-N 3.09Å
13P61.9Low70.1Confident78 Ų78133.1 Ų133.151%0.50672%0.72SS.*  trans-62.6165.2159.229.8-34.9000111.3
14A64.5Low70.8Confident78 Ų78139.4 Ų139.465%0.64572%0.724SS**  trans-61.3156.4178.600000112.4D16A14-D16 VanDerWaalsContact C-N 3.25Å; A14-D16 PolarHBondContact O-N 3.21Å; A14-D16 VanDerWaalsContact O-N 3.09Å
15R70.2Confident71.2Confident241 Ų241140.2 Ų140.291%0.90972%0.722SS**THydrogen-bonded Turntrans-57-30.4-164.5-87.8-178.1165.1167-5.2115.2
16D76.3Confident71.9Confident147 Ų147145.7 Ų145.779%0.78673%0.726SS**THydrogen-bonded Turntrans-113.119.2-156.6-44.1-71.2000114.2A14A14-D16 VanDerWaalsContact C-N 3.25Å; A14-D16 PolarHBondContact O-N 3.21Å; A14-D16 VanDerWaalsContact O-N 3.09Å
17T76.9Confident71.8Confident93 Ų93144.2 Ų144.257%0.57173%0.726SS**SBendtrans-120.2126.4175.760.10000112.4F19T17-F19 PolarHBondContact O-N 3.28Å
18P73.5Confident71.8Confident120 Ų120149.1 Ų149.178%0.77974%0.735SS**  trans-65.6130.5-178.925.7-33.7000112.2I20P18-I20 PolarHBondContact O-N 3.25Å
19F74.9Confident71.3Confident128 Ų128150.7 Ų150.756%0.56174%0.738SS**  trans-77111-175.8176.2-99.2000112P10 T17 P21P10-F19 HydrophobicContact CG-CE2 4.26Å; T17-F19 PolarHBondContact O-N 3.28Å; F19-P21 HydrophobicContact CE1-CB 3.79Å; F19-P21 HydrophobicContact CE1-CG 4.25Å; F19-P21 HydrophobicContact CZ-CB 4.21Å; F19-P21 WeakPolarHBondContact O-CD 3.35Å
20I77.3Confident70.2Confident141 Ų141149.5 Ų149.572%0.72374%0.743SS**  trans-103.2105.8173.9-56.9177.8000109.5P18 K22P18-I20 PolarHBondContact O-N 3.25Å; I20-K22 PolarHBondContact O-N 2.79Å
21P74.2Confident69.8Low79 Ų79152.3 Ų152.351%0.51376%0.76SS.*  trans-70.2112.5-177.125.7-32.8000112.4F19 L23F19-P21 HydrophobicContact CE1-CB 3.79Å; F19-P21 HydrophobicContact CE1-CG 4.25Å; F19-P21 HydrophobicContact CZ-CB 4.21Å; F19-P21 WeakPolarHBondContact O-CD 3.35Å; P21-L23 PolarHBondContact O-N 3.23Å
22K74.9Confident68.7Low198 Ų198151.2 Ų151.286%0.86176%0.756SS**  trans-79.584.7175.7-75.7176.6177.8165.70111.9I20 R24I20-K22 PolarHBondContact O-N 2.79Å; K22-R24 PolarHBondContact O-N 3.36Å
23L69.6Low67.9Low153 Ų153147.4 Ų147.480%0.80176%0.755SS**  trans-54.3124.9165.8-81.5166.5000110.5P21P21-L23 PolarHBondContact O-N 3.23Å
24R71.5Confident67.2Low223 Ų223155 Ų15584%0.84277%0.773SS**  trans-127.471-173.7-161.1177.6-167174.25.4111.7K22 R26K22-R24 PolarHBondContact O-N 3.36Å; R24-R26 PolarHBondContact O-N 3.11Å
25I75.4Confident66.3Low145 Ų145157.7 Ų157.774%0.74479%0.786SS**  trans-60.3120.6178.3-56.5175000109.6L27I25-L27 HydrophobicContact CG2-CD2 4.14Å; I25-L27 HydrophobicContact CG2-CG 4.35Å
26R71.2Confident65.2Low225 Ų225150 Ų15085%0.84978%0.781SS**  trans-102.390.5173.4-90.2178.9156.4159.2-7.9109.6R24 R28R24-R26 PolarHBondContact O-N 3.11Å; R26-R28 PolarHBondContact O-N 3.03Å
27L65.7Low63.7Low157 Ų157146.5 Ų146.582%0.82278%0.781SS**PPolyproline II helixtrans-64.1123.6164.8-60.1178.4000108.6I25I25-L27 HydrophobicContact CG2-CD2 4.14Å; I25-L27 HydrophobicContact CG2-CG 4.35Å
28R67.2Low62.3Low243 Ų243153.5 Ų153.592%0.91780%0.797SS**PPolyproline II helixtrans-87.1129.4166.4-67.6-172.7179.4-159.91.4107.6R26R26-R28 PolarHBondContact O-N 3.03Å
29H61.9Low60.9Low185 Ų185155 Ų15586%0.85680%0.798SS**PPolyproline II helixtrans-64.5135.8168.2-62.6-75.2000109.3
30S54.4Low59.6Low112 Ų112157.9 Ų157.978%0.78381%0.813SS**PPolyproline II helixtrans-58.8140170.7-59.20000110.2S32S30-S32 PolarHBondContact O-N 2.9Å
31P61.7Low58Low124 Ų124154 Ų15481%0.80581%0.808SS**PPolyproline II helixtrans-64.3131.6174.527.9-33.7000109.7S33P31-S33 PolarHBondContact O-N 3.03Å
32S53.6Low56.6Low104 Ų104160.4 Ų160.473%0.72782%0.823SS**  trans-71112.1176.158.30000110.3S30 R34S30-S32 PolarHBondContact O-N 2.9Å; S32-R34 PolarHBondContact O-N 2.92Å
33S50.1Low54.9Low121 Ų121158.1 Ų158.185%0.84682%0.82SS**  trans-65.798.2169.245.20000110.1P31 C35P31-S33 PolarHBondContact O-N 3.03Å; S33-C35 PolarHBondContact O-N 3.43Å
34R47Very low53.6Low237 Ų237156.9 Ų156.989%0.89482%0.819SS**  trans-75.6105.4164.5-74.4-174.4175.3-160.9-0.5108.8S32S32-R34 PolarHBondContact O-N 2.92Å
35C45.5Very low52Low135 Ų135152.3 Ų152.391%0.91282%0.816SS**  trans-122.4145.2153.5-1010000107.9S33S33-C35 PolarHBondContact O-N 3.43Å
36G45.7Very low50.2Low79 Ų79153.6 Ų153.681%0.81482%0.819SS**  trans-153166.7-178.400000111.3
37G46.2Very low48.7Very low75 Ų75149.1 Ų149.177%0.77381%0.811SS**  trans97.2148.2-165.200000111.3
38R45.9Very low47.5Very low240 Ų240149.6 Ų149.691%0.90681%0.809SS**  cis-161.4165-12.5-130.6-176.8-166.1-169.44.8108.1
39D45.9Very low46.1Very low151 Ų151143.3 Ų143.381%0.80780%0.803SS**  trans-78.8131.1-167.4-45.5-93.8000114.5
40Q46Very low45.3Very low188 Ų188139.2 Ų139.288%0.87979%0.793SS**  trans176.8148.7151.2-98.7160.853.400106.6
41G43.7Very low44.4Very low59 Ų59141.4 Ų141.461%0.60879%0.79SS**  cis151.91531.800000109.1
42Y45.1Very low43.4Very low215 Ų215142.2 Ų142.284%0.84379%0.787SS**  trans71.181.5166.8-47.9-73.2000119.1
43N39Very low42.8Very low149 Ų149144.5 Ų144.580%0.79779%0.789SS**  18.9136120.4-81.3-1.7000121.6
44V42.2Very low42.3Very low127 Ų127141.8 Ų141.877%0.7778%0.781SS**  trans72.2142.9132.6177.60000115.5
45T38.2Very low42Very low127 Ų127136.8 Ų136.878%0.77977%0.772SS**  cis-138.1173.823.9-22.70000113.1
46H37.6Very low42Very low173 Ų173140 Ų14080%0.80177%0.771SS**  trans-69153.7156.2-79-118.8000111.6
47N39.9Very low41.8Very low130 Ų130139.1 Ų139.170%0.69576%0.761SS**  -170.6158.3115.8-101.618.5000114.2
48E40.1Very low41.7Very low167 Ų167142.4 Ų142.478%0.7876%0.761SS**  trans57.4100.5149.9-71.3157.3-116.800121.5
49S37.9Very low41.8Very low112 Ų112138.1 Ų138.178%0.78375%0.751SS**  trans-78.4166.9135.7-155.50000108.2
50P46.1Very low41.5Very low99 Ų99137.1 Ų137.164%0.64375%0.746SS**  cis-143-154.418.731.1-3.7000114.9
51H36Very low41.2Very low158 Ų158132.1 Ų132.173%0.73173%0.732SS**  trans102.4117.8147.9-81.8-52000122.2
52L39.7Very low41.1Very low140 Ų140139.5 Ų139.573%0.73375%0.748SS**  104.6125.1125.3-75167.5000122.4
53I40.9Very low40.7Very low152 Ų152136.6 Ų136.678%0.77974%0.741SS**  trans85.3117.5140.8-65.8161.1000120.2
54G39.7Very low40.9Very low65 Ų65136.6 Ų136.667%0.6775%0.747SS**  trans104.4143.9141.800000116.9
55N41.6Very low40.6Very low131 Ų131135.3 Ų135.370%0.70174%0.736SS**  cis-167.2165.8-21.8-129.919000109.2
56F45.3Very low40.6Very low203 Ų203136.6 Ų136.689%0.8974%0.736SS**  trans66.6149.7178.1-44.5-78.7000115.7
57G40.8Very low40.5Very low60 Ų60135.9 Ų135.962%0.61973%0.733SS**  cis174.9135.5-9.100000113.2
58D44.5Very low40.3Very low145 Ų145134.6 Ų134.678%0.77574%0.735SS**  trans72.9110.2138-59.53.5000123.2
59H46.9Very low40.1Very low150 Ų150134.7 Ų134.769%0.69474%0.74SS**  trans87.4113130.2-71.8-60.1000124.3
60D39.5Very low40.1Very low130 Ų130135.5 Ų135.570%0.69574%0.739SS**  62.5125129-48.8-6000120.8
61S41Very low39.5Very low83 Ų83134.3 Ų134.358%0.5875%0.745SS**  cis108.6102.112.881.90000116.2
62F41.4Very low39.5Very low214 Ų214132.1 Ų132.194%0.93974%0.743SS**  trans-154.4107.1152.8-70.6-71.3000105.8
63H36.1Very low39.3Very low153 Ų153132 Ų13271%0.70875%0.752SS**  cis868729.5-144.4-57.3000114.7
64T43Very low38.8Very low149 Ų149129.7 Ų129.791%0.91475%0.749SS**  trans-125.7122.115850.90000108
65N35.8Very low38.7Very low101 Ų101136.1 Ų136.154%0.5476%0.759SS.*  trans-138.3-169.7-178.1-170.427.4000109.1E67N65-E67 PolarHBondContact ND2-OE2 3Å
66I38.9Very low38.1Very low153 Ų153134.5 Ų134.579%0.78576%0.758SS**  trans84.198.3-177.2-50.8160.6000109.4
67E35.9Very low37.5Very low158 Ų158131.9 Ų131.974%0.73875%0.75SS**  cis72.5154.739.8-54.9-166.8101.200115.9N65N65-E67 PolarHBondContact ND2-OE2 3Å
68S34.8Very low37.1Very low104 Ų104135.1 Ų135.173%0.72775%0.753SS**  trans73.898.7175.6-156.30000117.6
69L36.2Very low36.5Very low169 Ų169137.6 Ų137.689%0.88575%0.751SS**  -144.8119.989.2-151.978.7000111
70V37.7Very low35.9Very low128 Ų128138.5 Ų138.578%0.77676%0.761SS**  trans-127.7119.3176.1-177.40000108.8V72V70-V72 HydrophobicContact CG1-CG2 3.97Å
71G34.2Very low35.6Very low75 Ų75138.2 Ų138.277%0.77377%0.765SS**  trans-137.495.5168.900000107.1
72V35.6Very low35.2Very low111 Ų111139 Ų13967%0.67378%0.776SS**  57.49664.5-1650000112.2V70V70-V72 HydrophobicContact CG1-CG2 3.97Å
73C35.5Very low34.8Very low138 Ų138136.8 Ų136.893%0.93277%0.769SS**  trans-143.6112.1146.6-110.10000107.1
74S31.7Very low34.7Very low103 Ų103138.4 Ų138.472%0.7277%0.774SS**  trans-107.5140-166.3-68.30000113.1
75F35.5Very low34.5Very low200 Ų200134.6 Ų134.688%0.87776%0.764SS**  trans19.5156.2140-94.2-89.9000123
76S30.4Very low34.7Very low97 Ų97136.4 Ų136.468%0.67878%0.781SS**  trans84.4147.7172.181.80000114.1
77M31.9Very low34.8Very low148 Ų148132 Ų13273%0.72976%0.758SS**  cis-138.913727-76-81.1-160.500114.6
78L31.8Very low35.6Very low129 Ų129128.9 Ų128.968%0.67575%0.751SS**  trans57.3169133.5-54.2176.9000119.1
79R33.3Very low35.9Very low196 Ų196130.2 Ų130.274%0.7475%0.75SS**  cis-148.8141.2-6.7-139.7163.8-167.3160.32.1109.7
80N34.8Very low36.1Very low169 Ų169126.2 Ų126.290%0.90474%0.736SS**  trans-86.7120.8160.2-86.9-38.8000109.6
81T33.2Very low36.4Very low125 Ų125127.2 Ų127.277%0.76774%0.735SS**  trans-146.3123.2166.146.20000110.5
82A31.5Very low36.6Very low99 Ų99128.1 Ų128.182%0.81873%0.726SS**  trans-100.4143-179.900000112.3
83Q33.7Very low36.7Very low167 Ų167131.4 Ų131.478%0.7873%0.731SS**  trans-148.9123.9149.1-77.5-143.65200107.5
84K34.5Very low36.7Very low187 Ų187132 Ų13281%0.81372%0.724SS**  89.6103.271.7-161.5-178.4-172.2-178.20110.4
85G37.2Very low36.9Very low70 Ų70131.2 Ų131.272%0.72272%0.719SS**  trans-92.7-167.2-179.300000113.7
86P40.7Very low37Very low138 Ų138131.4 Ų131.490%0.89672%0.72SS**  trans-134.5171.4136.938.7-28.4000114.1
87H41.2Very low37.4Very low62 Ų62132.4 Ų132.429%0.28773%0.727SS.*  trans-134.3162174.8-152.7-72000108.4N89 P1189H87-N89 PolarHBondContact CE1-N 3.42Å; H87-P1189 HydrophobicContact CB-CB 4.24Å
88P51.5Low37.9Very low92 Ų92136 Ų13660%0.59773%0.732SS**  -151.2142.4128.135.2-17.7000116.4
89N43Very low38.3Very low132 Ų132138.2 Ų138.271%0.70674%0.739SS**  trans66.9151.7131.5-63.2-4.6000121.5H87H87-N89 PolarHBondContact CE1-N 3.42Å
90S39.6Very low38.7Very low84 Ų84140.7 Ų140.759%0.58775%0.748SS**  cis-178.7159.3-10.651.40000114.7
91I44.5Very low38.8Very low150 Ų150141.2 Ų141.277%0.76975%0.745SS**  trans70.4141.6139.8-74.6161.3000118.7
92T37.4Very low39.4Very low94 Ų94143.3 Ų143.358%0.57775%0.751SS**  cis-169176-17.839.60000110.8
93K37.7Very low39.6Very low180 Ų180144 Ų14478%0.78375%0.749SS**  trans78.2149.5143.7-81.8159.1-165.1173.40118
94L35.5Very low40.1Very low149 Ų149139.5 Ų139.578%0.7875%0.748SS**  cis-162.4160.2-15-163.669.4000112.3
95S35.3Very low40.4Very low88 Ų88139.7 Ų139.762%0.61575%0.75SS**  trans65.8104.8143.848.20000124.7
96K38.4Very low41Very low204 Ų204143.2 Ų143.289%0.88776%0.757SS**  63.9139.5109.6-69.8179177.6178.30123.4
97S38.8Very low41Very low118 Ų118142.4 Ų142.483%0.82575%0.752SS**  trans100.8151.3152.690.10000116.3
98R42.7Very low40.8Very low224 Ų224143 Ų14385%0.84578%0.775SS**  cis-148.71173.9-154.4173.8-175-1713.5113.5
99Q39.2Very low40.5Very low174 Ų174144.4 Ų144.481%0.81379%0.786SS**  trans8.5123.4140.5-179.7-170.915.700119.5
100R42.1Very low40.5Very low248 Ų248145 Ų14594%0.93679%0.794SS**  -155.8150127.3-115.7177.2-177.4-165.2-0.9112.3
101Q37.5Very low40.8Very low180 Ų180148.3 Ų148.384%0.84180%0.804SS**  trans-115.6160.9176.9-67.9176.9-25.400110
102L45.5Very low41Very low169 Ų169152.5 Ų152.589%0.88581%0.81SS**  trans176.8113.6136.5-91.3162.1000105.4
103S35.8Very low41.3Very low113 Ų113159 Ų15979%0.7982%0.824SS**  86.7120.665.1-169.90000112.9
104G44.1Very low41.4Very low74 Ų74155.3 Ų155.376%0.76383%0.827SS**  trans160.8100.6178.500000112.3
105F40.9Very low42Very low191 Ų191153.9 Ų153.984%0.83883%0.825SS**  trans-97.2149.2-176.5-84.7-100.9000113.1
106T49.9Very low43Very low143 Ų143155.4 Ų155.488%0.87784%0.835SS**  trans-162.3128130.54.90000110.8
107P39.9Very low43.4Very low121 Ų121156.3 Ų156.379%0.78684%0.839SS**  trans-98.8143.7-176.536.2-32.7000113.1
108G37Very low44.3Very low75 Ų75161.9 Ų161.977%0.77384%0.842SS**  trans-174.936.4-17600000121.1
109C45.9Very low44.5Very low122 Ų122160.5 Ų160.582%0.82484%0.842SS**  trans-163.5132.1157.5-105.90000113.5I111C109-I111 PolarHBondContact O-N 2.98Å
110T43.8Very low45.2Very low144 Ų144160.8 Ų160.888%0.88384%0.843SS**  trans-87.381.1-179.440.10000112.5R112T110-R112 PolarHBondContact O-N 3.33Å
111I44.9Very low45.7Very low154 Ų154154.5 Ų154.579%0.7984%0.837SS**  trans-68.2111.2172.8-58.2175.9000109.5C109C109-I111 PolarHBondContact O-N 2.98Å
112R48.5Very low46.4Very low238 Ų238151.5 Ų151.590%0.89884%0.836SS**  trans-71.2128.9168.7-75.1-174.1171.9-169.7-3.2109.5T110T110-R112 PolarHBondContact O-N 3.33Å
113R43.5Very low46.7Very low231 Ų231145.6 Ų145.687%0.87281%0.812SS**  trans-68.1137.3-177.1-56.1175.1-165.5150.64.3110.9T115R113-T115 HydrophobicContact CB-CG2 4.37Å
114A41.3Very low47.6Very low102 Ų102148.1 Ų148.184%0.84381%0.809SS**  trans-115.6102.116400000108.5
115T48Very low48.3Very low119 Ų119150 Ų15073%0.7381%0.805SS**  trans-134.378.8-172.150.40000112.4R113R113-T115 HydrophobicContact CB-CG2 4.37Å
116S55.8Low49.3Very low119 Ų119148.1 Ų148.183%0.83280%0.804SS**  trans-167108.6150.8-88.50000110.8
117K47.1Very low50Low224 Ų224146.5 Ų146.597%0.97479%0.794SS**  trans-93.8108.6157.5-73.6-171.2176.2-173.90107.3
118R56.8Low51.6Low234 Ų234144.6 Ų144.688%0.88378%0.777SS**  trans-132.6135.1170.2-167.2170.6-175.6165.61.5108.9Q120R118-Q120 PolarHBondContact O-N 3.33Å
119K46.4Very low53.6Low195 Ų195144.3 Ų144.385%0.84876%0.758SS**  trans-49124.1-174.7-72.1-179.6171.1-175.70111.9
120Q53.7Low55.3Low181 Ų181143.5 Ų143.585%0.84675%0.745SS**  trans-124.7110.2154.9-77.6-174.4-2700107.1R118R118-Q120 PolarHBondContact O-N 3.33Å
121S54Low57.1Low116 Ų116141.5 Ų141.581%0.81173%0.725SS**  trans-137.926.718060.70000111.4
122S51.9Low59.1Low117 Ų117137.8 Ų137.882%0.81871%0.707SS**SBendtrans-140.312.7-168.9-169.30000113.3
123A51.5Low60.8Low45 Ų45128.6 Ų128.637%0.37268%0.678SS.*  trans-121.812.3-173.400000113.3T127A123-T127 PolarHBondContact O-OG1 2.93Å
124F54.1Low62.9Low166 Ų166123.8 Ų123.873%0.72867%0.669SS**SBendtrans-74.7-29.6-168.7-154.6-94.1000113.2
125V60.7Low65.1Low113 Ų113119.4 Ų119.469%0.68563%0.633SS**G310 helixtrans-72.4-46-179.1-1750000111.3T127 L128V125-T127 PolarHBondContact O-N 2.91Å; V125-L128 WeakPolarHBondContact O-CG 3.37Å; V125-L128 PolarHBondContact O-N 3.21Å; V125-L128 VanDerWaalsContact O-N 3.13Å
126D60Low67Low152 Ų152118.3 Ų118.381%0.81362%0.622SS**G310 helixtrans-66.3-5.1179.3-56.9-34.6000114
127T65.7Low68.3Low108 Ų108114.4 Ų114.466%0.66359%0.592SS**G310 helixtrans-10610.2179-36.50000112.6A123 V125 D129A123-T127 PolarHBondContact O-OG1 2.93Å; V125-T127 PolarHBondContact O-N 2.91Å; T127-D129 VanDerWaalsContact C-N 3.32Å; T127-D129 PolarHBondContact O-N 3.05Å
128L74Confident70.2Confident82 Ų82105.3 Ų105.343%0.42956%0.555SS.*  trans-74.284.4172.6-69.2178.5000110.9V125 L130 L136V125-L128 WeakPolarHBondContact O-CG 3.37Å; V125-L128 PolarHBondContact O-N 3.21Å; V125-L128 VanDerWaalsContact O-N 3.13Å; L128-L130 PolarHBondContact O-N 2.74Å; L128-L136 HydrophobicContact CD2-CD1 4.13Å
129D78.8Confident71.7Confident69 Ų69101 Ų10137%0.36954%0.542SS..  trans-59.9113.2177.5-169.4-33000111.4T127 E131 N132 S135T127-D129 VanDerWaalsContact C-N 3.32Å; T127-D129 PolarHBondContact O-N 3.05Å; D129-E131 PolarHBondContact OD1-N 2.94Å; D129-N132 PolarHBondContact OD1-N 3.25Å; D129-N132 PolarHBondContact OD2-ND2 3.02Å; D129-S135 WeakPolarHBondContact O-CB 3.32Å; D129-S135 PolarHBondContact O-OG 3.05Å
130L81.4Confident73.6Confident105 Ų10594.5 Ų94.555%0.5552%0.519SS..SBendtrans-89.1-16.8179.3-52.6-177.6000112.8L128 L137 Q230L128-L130 PolarHBondContact O-N 2.74Å; L130-L137 HydrophobicContact CD2-CD1 3.43Å; L130-L137 VanDerWaalsContact CD2-CD1 3.43Å; L130-Q230 PolarHBondContact O-NE2 3.09Å
131E81.5Confident75.2Confident101 Ų10190.4 Ų90.447%0.47250%0.503SS..SBendtrans-99.4-24.9-168.7-63.1-167.7160.200113.7D129 T236 P237D129-E131 PolarHBondContact OD1-N 2.94Å; E131-T236 PolarHBondContact O-OG1 3.5Å; E131-P237 VanDerWaalsContact CD-CG 3.43Å; E131-P237 WeakPolarHBondContact OE1-CG 3.49Å; E131-P237 WeakPolarHBondContact OE2-CD 3.12Å; E131-P237 VanDerWaalsContact OE2-CG 3.25Å; E131-P237 WeakPolarHBondContact OE2-CG 3.46Å
132N86Confident76.8Confident77 Ų7785.8 Ų85.841%0.41247%0.469SS..SBendtrans-82.9141179.8-90-46.2000113.2D129 D134 S135D129-N132 PolarHBondContact OD1-N 3.25Å; D129-N132 PolarHBondContact OD2-ND2 3.02Å; N132-D134 PolarHBondContact O-N 2.8Å; N132-S135 VanDerWaalsContact O-CB 3.24Å; N132-S135 WeakPolarHBondContact O-CB 3.28Å; N132-S135 PolarHBondContact O-N 2.91Å; N132-S135 VanDerWaalsContact O-N 3.17Å
133P84.6Confident78.5Confident45 Ų4583.8 Ų83.829%0.29245%0.446SS..THydrogen-bonded Turntrans-66.8-19.8176.529.2-36.3000113.2S135 T138 Q230P133-S135 VanDerWaalsContact C-N 3.28Å; P133-S135 PolarHBondContact O-N 3.18Å; P133-T138 WeakPolarHBondContact O-CG2 3.37Å; P133-T138 PolarHBondContact O-OG1 3.39Å; P133-Q230 WeakPolarHBondContact CB-O 3.39Å
134D87.1Confident80.2Confident129 Ų12988.2 Ų88.269%0.6946%0.462SS*.THydrogen-bonded Turntrans-82.7-1177.2-70.9-58000113.9N132 K139N132-D134 PolarHBondContact O-N 2.8Å; D134-K139 PolarHBondContact O-NZ 2.94Å
135S87.8Confident81.9Confident10 Ų1084.9 Ų84.97%0.0745%0.451CS..SBendtrans-46.3153.7178.5-174.90000113.4D129 N132 P133 L137 T138D129-S135 WeakPolarHBondContact O-CB 3.32Å; D129-S135 PolarHBondContact O-OG 3.05Å; N132-S135 VanDerWaalsContact O-CB 3.24Å; N132-S135 WeakPolarHBondContact O-CB 3.28Å; N132-S135 PolarHBondContact O-N 2.91Å; N132-S135 VanDerWaalsContact O-N 3.17Å; P133-S135 VanDerWaalsContact C-N 3.28Å; P133-S135 PolarHBondContact O-N 3.18Å; S135-L137 PolarHBondContact O-N 3.33Å; S135-L137 PolarHBondContact OG-N 2.97Å; S135-T138 PolarHBondContact O-N 3.34Å; S135-T138 PolarHBondContact O-OG1 3.31Å
136L87.5Confident83.1Confident97 Ų9781.1 Ų81.151%0.50843%0.427SS..G310 helixtrans-62.4-28.6168.6-69.3169.9000111.3L128 T138 K139 V140L128-L136 HydrophobicContact CD2-CD1 4.13Å; L136-T138 VanDerWaalsContact C-N 3.29Å; L136-T138 PolarHBondContact O-N 3.4Å; L136-K139 PolarHBondContact O-N 3.25Å; L136-V140 WeakPolarHBondContact O-CG2 3.44Å; L136-V140 PolarHBondContact O-N 3.21Å
137L84.9Confident84.6Confident37 Ų3776.6 Ų76.619%0.19440%0.403CS..G310 helixtrans-71.2-17.3179.8-57.5-176.4000114.3L130 S135 K139 L142 F226 S227L130-L137 HydrophobicContact CD2-CD1 3.43Å; L130-L137 VanDerWaalsContact CD2-CD1 3.43Å; S135-L137 PolarHBondContact O-N 3.33Å; S135-L137 PolarHBondContact OG-N 2.97Å; L137-K139 PolarHBondContact O-N 3.36Å; L137-L142 HydrophobicContact CD2-CD2 4.28Å; L137-F226 HydrophobicContact CB-CE1 4.38Å; L137-S227 PolarHBondContact O-OG 3.12Å
138T85.6Confident85.8Confident33 Ų3378.3 Ų78.320%0.20240%0.398CS..G310 helixtrans-77.3-9.8169.760.50000113.1P133 S135 L136 Q230P133-T138 WeakPolarHBondContact O-CG2 3.37Å; P133-T138 PolarHBondContact O-OG1 3.39Å; S135-T138 PolarHBondContact O-N 3.34Å; S135-T138 PolarHBondContact O-OG1 3.31Å; L136-T138 VanDerWaalsContact C-N 3.29Å; L136-T138 PolarHBondContact O-N 3.4Å; T138-Q230 HydrophobicContact CG2-CB 3.78Å; T138-Q230 HydrophobicContact CG2-CG 3.62Å
139K87.9Confident86.6Confident142 Ų14281.6 Ų81.662%0.61741%0.41SS*.THydrogen-bonded Turntrans-116.2-18.8-175.8-65.2157.4-171.61450113.4D134 L136 L137D134-K139 PolarHBondContact O-NZ 2.94Å; L136-K139 PolarHBondContact O-N 3.25Å; L137-K139 PolarHBondContact O-N 3.36Å
140V87.3Confident87.3Confident59 Ų5980.6 Ų80.636%0.35841%0.407SS..SBendtrans-85.6127.6173.4173.90000109.2L136 L142 L145L136-V140 WeakPolarHBondContact O-CG2 3.44Å; L136-V140 PolarHBondContact O-N 3.21Å; V140-L142 PolarHBondContact O-N 2.82Å; V140-L145 HydrophobicContact CG1-CB 4.36Å; V140-L145 HydrophobicContact CG1-CD2 4.26Å
141N87.4Confident87.9Confident96 Ų9675.7 Ų75.751%0.51338%0.381SS..  trans-70.599.4169.2-177.1-8.5000109.2K143 L144 L145N141-K143 PolarHBondContact O-N 3.15Å; N141-K143 VanDerWaalsContact O-N 3.11Å; N141-K143 WeakPolarHBondContact OD1-CB 3.32Å; N141-K143 PolarHBondContact OD1-N 3.32Å; N141-K143 VanDerWaalsContact OD1-N 3.11Å; N141-L144 HydrophobicContact CB-CD1 4.12Å; N141-L144 HydrophobicContact CB-CG 4.2Å; N141-L144 PolarHBondContact O-N 3.32Å; N141-L145 PolarHBondContact O-N 3.35Å
142L87.8Confident88.5Confident18 Ų1874.6 Ų74.69%0.09438%0.376CS..Hα-helixtrans-59-24.5-177.1-61.9177.7000113.1L137 V140 L144 L145 I146 L223 F226L137-L142 HydrophobicContact CD2-CD2 4.28Å; V140-L142 PolarHBondContact O-N 2.82Å; L142-L144 VanDerWaalsContact C-N 3.34Å; L142-L145 HydrophobicContact CD2-CD2 4.35Å; L142-L145 PolarHBondContact O-N 3.03Å; L142-I146 PolarHBondContact O-N 2.99Å; L142-L223 HydrophobicContact CB-CB 4.15Å; L142-L223 HydrophobicContact CB-CD1 4.19Å; L142-L223 HydrophobicContact CB-CD2 4.06Å; L142-L223 HydrophobicContact CB-CG 4.37Å; L142-L223 HydrophobicContact CD1-CD2 4.27Å; L142-F226 HydrophobicContact CD1-CB 4.29Å; L142-F226 HydrophobicContact CD1-CD1 3.55Å; L142-F226 HydrophobicContact CD1-CE1 4.21Å; L142-F226 HydrophobicContact CD1-CG 4.11Å
143K86.7Confident88.9Confident76 Ų7675.3 Ų75.333%0.3339%0.387SS..Hα-helixtrans-67.4-32.5174.5-173.7174.3-178.9166.20112.7N141 T220 L223N141-K143 PolarHBondContact O-N 3.15Å; N141-K143 VanDerWaalsContact O-N 3.11Å; N141-K143 WeakPolarHBondContact OD1-CB 3.32Å; N141-K143 PolarHBondContact OD1-N 3.32Å; N141-K143 VanDerWaalsContact OD1-N 3.11Å; K143-T220 HydrophobicContact CD-CG2 3.93Å; K143-T220 WeakPolarHBondContact CE-OG1 3.34Å; K143-T220 PolarHBondContact NZ-OG1 3.27Å; K143-L223 HydrophobicContact CB-CD1 4.41Å
144L86.9Confident89.3Confident138 Ų13875.8 Ų75.872%0.72339%0.387SS*.Hα-helixtrans-77.1-25.3173.8-62.7178.9000111.9N141 L142N141-L144 HydrophobicContact CB-CD1 4.12Å; N141-L144 HydrophobicContact CB-CG 4.2Å; N141-L144 PolarHBondContact O-N 3.32Å; L142-L144 VanDerWaalsContact C-N 3.34Å
145L89.6Confident89.8Confident95 Ų9573.7 Ų73.750%0.49738%0.38SS..Hα-helixtrans-81.9-31178.3-171.864.3000112.9V140 N141 L142 T150V140-L145 HydrophobicContact CG1-CB 4.36Å; V140-L145 HydrophobicContact CG1-CD2 4.26Å; N141-L145 PolarHBondContact O-N 3.35Å; L142-L145 HydrophobicContact CD2-CD2 4.35Å; L142-L145 PolarHBondContact O-N 3.03Å; L145-T150 WeakPolarHBondContact O-CB 3.08Å; L145-T150 PolarHBondContact O-OG1 3.12Å
146I87.3Confident90.1Very high34 Ų3476.2 Ų76.217%0.17439%0.393CS..SBendtrans-108.175.7179.1-49.8175.4000109.3L142 T150 L214 F219 L223L142-I146 PolarHBondContact O-N 2.99Å; I146-T150 WeakPolarHBondContact CA-OG1 3.47Å; I146-L214 HydrophobicContact CG2-CD2 4.29Å; I146-F219 HydrophobicContact CD1-CZ 4.32Å; I146-F219 HydrophobicContact CG2-CE1 4.28Å; I146-F219 HydrophobicContact CG2-CZ 4.09Å; I146-L223 HydrophobicContact CD1-CD1 4.31Å; I146-L223 HydrophobicContact CD1-CD2 4.09Å
147N90.1Very high90.4Very high58 Ų5877.2 Ų77.231%0.3140%0.398SS..  trans-91.8-178.6166.582.83.5000109.6E149 T150 F151 L214N147-E149 PolarHBondContact ND2-OE2 2.98Å; N147-E149 VanDerWaalsContact ND2-OE2 3.08Å; N147-E149 PolarHBondContact O-N 3.41Å; N147-E149 WeakPolarHBondContact OD1-CA 3.45Å; N147-E149 WeakPolarHBondContact OD1-CB 3.47Å; N147-E149 PolarHBondContact OD1-N 3.18Å; N147-T150 PolarHBondContact N-OG1 3.1Å; N147-T150 PolarHBondContact O-OG1 3.02Å; N147-T150 PolarHBondContact OD1-N 3.44Å; N147-T150 PolarHBondContact OD1-OG1 3.23Å; N147-F151 VanDerWaalsContact O-CB 3.32Å; N147-F151 WeakPolarHBondContact O-CB 3.45Å; N147-F151 PolarHBondContact O-N 3.31Å; N147-L214 VanDerWaalsContact C-CD1 3.49Å; N147-L214 WeakPolarHBondContact O-CD1 3.41Å
148R91.3Very high90.8Very high144 Ų14478 Ų7854%0.54341%0.405SS..Hα-helixtrans-65.9-35.8-178.8-174.8175.4177.8-175.5-1.1113.4H152 L214R148-H152 PolarHBondContact O-CD2 2.99Å; R148-H152 PolarHBondContact O-N 3.07Å; R148-H152 VanDerWaalsContact O-N 3.13Å; R148-L214 HydrophobicContact CB-CD1 4.34Å
149E91.7Very high91.3Very high150 Ų15077.3 Ų77.370%0.70140%0.399SS*.Hα-helixtrans-70.8-47.2-179.1-56.6161.7157.300110.2N147 H152 S153N147-E149 PolarHBondContact ND2-OE2 2.98Å; N147-E149 VanDerWaalsContact ND2-OE2 3.08Å; N147-E149 PolarHBondContact O-N 3.41Å; N147-E149 WeakPolarHBondContact OD1-CA 3.45Å; N147-E149 WeakPolarHBondContact OD1-CB 3.47Å; N147-E149 PolarHBondContact OD1-N 3.18Å; E149-H152 PolarHBondContact O-N 3.37Å; E149-S153 PolarHBondContact O-N 2.65Å
150T92.8Very high91.6Very high49 Ų4974.8 Ų74.830%0.30139%0.39SS..Hα-helixtrans-67.4-36.6177.559.70000111.5L145 I146 N147 H152 S153 L154L145-T150 WeakPolarHBondContact O-CB 3.08Å; L145-T150 PolarHBondContact O-OG1 3.12Å; I146-T150 WeakPolarHBondContact CA-OG1 3.47Å; N147-T150 PolarHBondContact N-OG1 3.1Å; N147-T150 PolarHBondContact O-OG1 3.02Å; N147-T150 PolarHBondContact OD1-N 3.44Å; N147-T150 PolarHBondContact OD1-OG1 3.23Å; T150-H152 PolarHBondContact O-N 3.3Å; T150-S153 WeakPolarHBondContact CA-OG 3.31Å; T150-S153 PolarHBondContact O-N 3.34Å; T150-S153 VanDerWaalsContact O-N 3.09Å; T150-S153 PolarHBondContact O-OG 3.4Å; T150-L154 WeakPolarHBondContact O-CG 3.45Å; T150-L154 PolarHBondContact O-N 3.37Å
151F93.8Very high91.8Very high1 Ų177.6 Ų77.60%0.00440%0.4CS..Hα-helixtrans-55.1-51.6169.3178-87.2000111.5N147 S153 L154 Q159 L162 V207 L209 L214N147-F151 VanDerWaalsContact O-CB 3.32Å; N147-F151 WeakPolarHBondContact O-CB 3.45Å; N147-F151 PolarHBondContact O-N 3.31Å; F151-S153 PolarHBondContact O-N 3.23Å; F151-L154 WeakPolarHBondContact O-CB 3.37Å; F151-L154 PolarHBondContact O-N 3.38Å; F151-L154 VanDerWaalsContact O-N 3.13Å; F151-Q159 HydrophobicContact CE1-CB 4.1Å; F151-Q159 HydrophobicContact CE1-CG 4.17Å; F151-Q159 HydrophobicContact CZ-CB 3.91Å; F151-Q159 HydrophobicContact CZ-CG 4.34Å; F151-Q159 WeakPolarHBondContact O-CG 3.47Å; F151-L162 HydrophobicContact CD2-CD1 4.18Å; F151-L162 HydrophobicContact CE2-CB 3.88Å; F151-L162 HydrophobicContact CE2-CD1 4.28Å; F151-V207 HydrophobicContact CE1-CG1 4.49Å; F151-V207 HydrophobicContact CZ-CG1 4.29Å; F151-L209 HydrophobicContact CD1-CD2 3.99Å; F151-L209 HydrophobicContact CD2-CD2 4.28Å; F151-L209 HydrophobicContact CE1-CB 4.37Å; F151-L209 HydrophobicContact CE1-CD2 3.89Å; F151-L209 HydrophobicContact CE2-CD2 4.17Å; F151-L209 HydrophobicContact CG-CD2 4.2Å; F151-L209 HydrophobicContact CZ-CD1 4.48Å; F151-L209 HydrophobicContact CZ-CD2 3.98Å; F151-L214 HydrophobicContact CB-CD1 3.91Å; F151-L214 HydrophobicContact CD2-CD2 4.25Å; F151-L214 HydrophobicContact CG-CD1 4.38Å
152H94Very high92Very high79 Ų7974.7 Ų74.737%0.36638%0.384SS..Hα-helixtrans-68.8-15.9177.7-67.6-50.7000113.7R148 E149 T150 Q159R148-H152 PolarHBondContact O-CD2 2.99Å; R148-H152 PolarHBondContact O-N 3.07Å; R148-H152 VanDerWaalsContact O-N 3.13Å; E149-H152 PolarHBondContact O-N 3.37Å; T150-H152 PolarHBondContact O-N 3.3Å; H152-Q159 PolarHBondContact O-NE2 2.89Å
153S94.4Very high92.2Very high91 Ų9174.3 Ų74.364%0.63638%0.383SS*.Hα-helixtrans-82.8-13.6171.981.50000114.5E149 T150 F151E149-S153 PolarHBondContact O-N 2.65Å; T150-S153 WeakPolarHBondContact CA-OG 3.31Å; T150-S153 PolarHBondContact O-N 3.34Å; T150-S153 VanDerWaalsContact O-N 3.09Å; T150-S153 PolarHBondContact O-OG 3.4Å; F151-S153 PolarHBondContact O-N 3.23Å
154L93.9Very high92.5Very high56 Ų5677.7 Ų77.729%0.29340%0.4SS..SBendtrans-70152.5177.2-68.3171.9000111.2T150 F151 V158 Q159 L162T150-L154 WeakPolarHBondContact O-CG 3.45Å; T150-L154 PolarHBondContact O-N 3.37Å; F151-L154 WeakPolarHBondContact O-CB 3.37Å; F151-L154 PolarHBondContact O-N 3.38Å; F151-L154 VanDerWaalsContact O-N 3.13Å; L154-V158 HydrophobicContact CB-CB 4.28Å; L154-V158 HydrophobicContact CB-CG1 4.36Å; L154-V158 HydrophobicContact CD1-CG1 4.02Å; L154-V158 HydrophobicContact CD2-CG1 4.47Å; L154-Q159 HydrophobicContact CB-CG 4.08Å; L154-Q159 PolarHBondContact O-NE2 3.33Å; L154-L162 HydrophobicContact CD1-CD1 3.46Å; L154-L162 VanDerWaalsContact CD1-CD1 3.46Å
155P96.4Very high92.7Very high85 Ų8577.7 Ų77.755%0.55240%0.4SS*.  trans-55.2146.1170.7-23.533.8000111.8D157 V158 Q159P155-D157 VanDerWaalsContact C-N 3.28Å; P155-D157 PolarHBondContact O-N 3.23Å; P155-V158 HydrophobicContact CB-CG2 4.23Å; P155-V158 HydrophobicContact CG-CG2 4.36Å; P155-V158 WeakPolarHBondContact O-CA 3.47Å; P155-V158 WeakPolarHBondContact O-CB 3.5Å; P155-V158 PolarHBondContact O-N 3.06Å; P155-Q159 PolarHBondContact O-N 2.87Å
156L94.6Very high92.8Very high62 Ų6273.8 Ų73.833%0.32538%0.38SS..Hα-helixtrans-54.2-42.2-172.3-177.857.9000113.2V158 Q159 Q160 N205 V207L156-V158 PolarHBondContact O-N 3.05Å; L156-Q159 WeakPolarHBondContact O-CB 3.4Å; L156-Q159 PolarHBondContact O-N 3.02Å; L156-Q159 VanDerWaalsContact O-N 3.17Å; L156-Q160 HydrophobicContact CD1-CG 4.44Å; L156-Q160 WeakPolarHBondContact O-CG 3.34Å; L156-Q160 PolarHBondContact O-N 3.47Å; L156-N205 WeakPolarHBondContact CD1-O 3.4Å; L156-N205 HydrophobicContact CD2-CB 4.34Å; L156-V207 HydrophobicContact CD1-CG2 3.68Å
157D94.8Very high93Very high118 Ų11874.6 Ų74.663%0.63139%0.388SS*.Hα-helixtrans-58.8-35176.7-48.9-27.4000112.4P155 M161P155-D157 VanDerWaalsContact C-N 3.28Å; P155-D157 PolarHBondContact O-N 3.23Å; D157-M161 VanDerWaalsContact O-CB 3.28Å; D157-M161 WeakPolarHBondContact O-CB 3.25Å; D157-M161 PolarHBondContact O-N 3.13Å
158V93.1Very high93Very high55 Ų5577 Ų7733%0.33340%0.4SS..Hα-helixtrans-78.8-37.3178.7-172.90000110.6L154 P155 L156 M161 L162L154-V158 HydrophobicContact CB-CB 4.28Å; L154-V158 HydrophobicContact CB-CG1 4.36Å; L154-V158 HydrophobicContact CD1-CG1 4.02Å; L154-V158 HydrophobicContact CD2-CG1 4.47Å; P155-V158 HydrophobicContact CB-CG2 4.23Å; P155-V158 HydrophobicContact CG-CG2 4.36Å; P155-V158 WeakPolarHBondContact O-CA 3.47Å; P155-V158 WeakPolarHBondContact O-CB 3.5Å; P155-V158 PolarHBondContact O-N 3.06Å; L156-V158 PolarHBondContact O-N 3.05Å; V158-M161 PolarHBondContact O-N 2.83Å; V158-L162 HydrophobicContact CG1-CD1 4.27Å; V158-L162 HydrophobicContact CG1-CG 4.48Å; V158-L162 WeakPolarHBondContact O-CB 3.39Å; V158-L162 WeakPolarHBondContact O-CG 3.49Å; V158-L162 PolarHBondContact O-N 3.41Å
159Q94.9Very high93Very high18 Ų1877.4 Ų77.48%0.08441%0.406CS..Hα-helixtrans-58.3-49.6170-63.8-172.733.300110.3F151 H152 L154 P155 L156 M161 L162 C163 V207F151-Q159 HydrophobicContact CE1-CB 4.1Å; F151-Q159 HydrophobicContact CE1-CG 4.17Å; F151-Q159 HydrophobicContact CZ-CB 3.91Å; F151-Q159 HydrophobicContact CZ-CG 4.34Å; F151-Q159 WeakPolarHBondContact O-CG 3.47Å; H152-Q159 PolarHBondContact O-NE2 2.89Å; L154-Q159 HydrophobicContact CB-CG 4.08Å; L154-Q159 PolarHBondContact O-NE2 3.33Å; P155-Q159 PolarHBondContact O-N 2.87Å; L156-Q159 WeakPolarHBondContact O-CB 3.4Å; L156-Q159 PolarHBondContact O-N 3.02Å; L156-Q159 VanDerWaalsContact O-N 3.17Å; Q159-M161 PolarHBondContact O-N 3.14Å; Q159-L162 PolarHBondContact O-N 3.47Å; Q159-C163 WeakPolarHBondContact O-CB 3.29Å; Q159-C163 PolarHBondContact O-N 2.87Å; Q159-V207 HydrophobicContact CB-CB 4.16Å; Q159-V207 HydrophobicContact CB-CG2 3.91Å
160Q94.6Very high93Very high88 Ų8870.8 Ų70.841%0.41138%0.375SS..Hα-helixtrans-60.3-45.4177.1-69.6-179.611.600112L156 C163 Q164 V207L156-Q160 HydrophobicContact CD1-CG 4.44Å; L156-Q160 WeakPolarHBondContact O-CG 3.34Å; L156-Q160 PolarHBondContact O-N 3.47Å; Q160-C163 WeakPolarHBondContact O-CB 3.39Å; Q160-C163 PolarHBondContact O-N 3.33Å; Q160-Q164 VanDerWaalsContact O-CG 3.3Å; Q160-Q164 WeakPolarHBondContact O-CG 3.37Å; Q160-Q164 PolarHBondContact O-N 2.94Å; Q160-V207 HydrophobicContact CG-CG2 3.59Å
161M92.9Very high92.8Very high119 Ų11970.9 Ų70.959%0.58637%0.372SS*.Hα-helixtrans-63.3-42.5179.3-171-174.3-54.100112.7D157 V158 Q159 L165D157-M161 VanDerWaalsContact O-CB 3.28Å; D157-M161 WeakPolarHBondContact O-CB 3.25Å; D157-M161 PolarHBondContact O-N 3.13Å; V158-M161 PolarHBondContact O-N 2.83Å; Q159-M161 PolarHBondContact O-N 3.14Å; M161-L165 WeakPolarHBondContact O-CG 3.39Å; M161-L165 PolarHBondContact O-N 3.22Å
162L91.2Very high92.4Very high34 Ų3472.8 Ų72.818%0.17839%0.385CS..Hα-helixtrans-67-39.8174.5-74.2173.5000111.6F151 L154 V158 Q159 Q164 L165F151-L162 HydrophobicContact CD2-CD1 4.18Å; F151-L162 HydrophobicContact CE2-CB 3.88Å; F151-L162 HydrophobicContact CE2-CD1 4.28Å; L154-L162 HydrophobicContact CD1-CD1 3.46Å; L154-L162 VanDerWaalsContact CD1-CD1 3.46Å; V158-L162 HydrophobicContact CG1-CD1 4.27Å; V158-L162 HydrophobicContact CG1-CG 4.48Å; V158-L162 WeakPolarHBondContact O-CB 3.39Å; V158-L162 WeakPolarHBondContact O-CG 3.49Å; V158-L162 PolarHBondContact O-N 3.41Å; Q159-L162 PolarHBondContact O-N 3.47Å; L162-Q164 VanDerWaalsContact C-N 3.34Å; L162-Q164 PolarHBondContact O-N 3.37Å; L162-L165 WeakPolarHBondContact O-CB 3.29Å; L162-L165 PolarHBondContact O-N 3.04Å; L162-L165 VanDerWaalsContact O-N 3.09Å
163C92.3Very high92.1Very high10 Ų1076.7 Ų76.77%0.06840%0.396CS..Hα-helixtrans-62.2-40.4178.8-156.40000112Q159 Q160 L165 L166 H171 V207Q159-C163 WeakPolarHBondContact O-CB 3.29Å; Q159-C163 PolarHBondContact O-N 2.87Å; Q160-C163 WeakPolarHBondContact O-CB 3.39Å; Q160-C163 PolarHBondContact O-N 3.33Å; C163-L165 PolarHBondContact O-N 3.13Å; C163-L166 PolarHBondContact O-N 3.38Å; C163-L166 VanDerWaalsContact O-N 3.16Å; C163-H171 PolarHBondContact O-ND1 3.16Å; C163-H171 WeakPolarHBondContact SG-CB 3.4Å; C163-V207 HydrophobicContact CB-CG1 3.77Å; C163-V207 VanDerWaalsContact SG-CG1 3.53Å
164Q92.4Very high91.5Very high147 Ų14779.8 Ų79.869%0.68740%0.401SS*.THydrogen-bonded Turntrans-66.5-16.4174.1-72171.719.800114.6Q160 L162Q160-Q164 VanDerWaalsContact O-CG 3.3Å; Q160-Q164 WeakPolarHBondContact O-CG 3.37Å; Q160-Q164 PolarHBondContact O-N 2.94Å; L162-Q164 VanDerWaalsContact C-N 3.34Å; L162-Q164 PolarHBondContact O-N 3.37Å
165L90.9Very high90.5Very high138 Ų13881.2 Ų81.272%0.72341%0.407SS*.THydrogen-bonded Turntrans-88.7-7.6175.3-66.9171.7000113.1M161 L162 C163M161-L165 WeakPolarHBondContact O-CG 3.39Å; M161-L165 PolarHBondContact O-N 3.22Å; L162-L165 WeakPolarHBondContact O-CB 3.29Å; L162-L165 PolarHBondContact O-N 3.04Å; L162-L165 VanDerWaalsContact O-N 3.09Å; C163-L165 PolarHBondContact O-N 3.13Å
166L91.4Very high88.9Confident13 Ų1379.9 Ų79.97%0.06840%0.4CS..SBendtrans-94.7155.3178.3-63.9166.7000110.9C163 D170 H171 L209 A213 F219C163-L166 PolarHBondContact O-N 3.38Å; C163-L166 VanDerWaalsContact O-N 3.16Å; L166-D170 HydrophobicContact CB-CB 4.11Å; L166-H171 PolarHBondContact O-CE1 3.31Å; L166-H171 VanDerWaalsContact O-CE1 3.31Å; L166-H171 PolarHBondContact O-ND1 2.89Å; L166-L209 HydrophobicContact CD1-CD1 3.69Å; L166-A213 HydrophobicContact CD1-CB 4.24Å; L166-F219 HydrophobicContact CD2-CB 3.77Å; L166-F219 HydrophobicContact CD2-CD2 3.6Å; L166-F219 HydrophobicContact CD2-CE2 4.39Å; L166-F219 HydrophobicContact CD2-CG 3.82Å
167P91.4Very high87.7Confident52 Ų5282.1 Ų82.134%0.33841%0.412SS..  trans-52.2148.8173-26.935.3000113F169 D170 H171P167-F169 PolarHBondContact O-N 3.39Å; P167-F169 VanDerWaalsContact O-N 3.13Å; P167-D170 WeakPolarHBondContact CD-OD2 3.25Å; P167-D170 WeakPolarHBondContact O-CB 3.41Å; P167-D170 PolarHBondContact O-N 3.4Å; P167-H171 PolarHBondContact O-ND1 3.09Å
168L90.7Very high86.3Confident108 Ų10882.6 Ų82.657%0.56541%0.414SS*.Hα-helixtrans-51.6-41.3-178.7-59.9176.5000112.9D170 H171 C172L168-D170 PolarHBondContact O-N 2.99Å; L168-H171 WeakPolarHBondContact CD2-NE2 3.3Å; L168-H171 PolarHBondContact O-N 2.82Å; L168-H171 VanDerWaalsContact O-N 3.09Å; L168-C172 WeakPolarHBondContact O-CB 3.32Å; L168-C172 PolarHBondContact O-N 3.21Å; L168-C172 PolarHBondContact O-SG 2.9Å; L168-C172 VanDerWaalsContact O-SG 3.39Å
169F90.4Very high84.7Confident152 Ų15287.2 Ų87.267%0.66744%0.437SS*.Hα-helixtrans-59.7-26.7178-56.7-78.8000114.1P167 H171 M175P167-F169 PolarHBondContact O-N 3.39Å; P167-F169 VanDerWaalsContact O-N 3.13Å; F169-H171 VanDerWaalsContact C-N 3.34Å; F169-M175 HydrophobicContact CD1-SD 3.4Å; F169-M175 WeakPolarHBondContact CD1-SD 3.4Å; F169-M175 HydrophobicContact CE1-SD 3.8Å; F169-M175 HydrophobicContact CG-SD 4.14Å
170D92Very high83Confident11 Ų1191.5 Ų91.56%0.05947%0.469CS..Hα-helixtrans-81.5-12.4179.3-79.8-41.1000113L166 P167 L168 H210 A213 N216L166-D170 HydrophobicContact CB-CB 4.11Å; P167-D170 WeakPolarHBondContact CD-OD2 3.25Å; P167-D170 WeakPolarHBondContact O-CB 3.41Å; P167-D170 PolarHBondContact O-N 3.4Å; L168-D170 PolarHBondContact O-N 2.99Å; D170-H210 WeakPolarHBondContact O-CB 3.36Å; D170-H210 PolarHBondContact O-N 3.14Å; D170-A213 HydrophobicContact CB-CB 3.61Å; D170-A213 VanDerWaalsContact OD1-CA 3.3Å; D170-A213 WeakPolarHBondContact OD1-CA 3.18Å; D170-N216 PolarHBondContact OD2-ND2 3.27Å
171H89.4Confident81.2Confident52 Ų5291.6 Ų91.624%0.24148%0.484CS..Hα-helixtrans-127.1-13.8-17859.3-119.8000116C163 L166 P167 L168 F169 R173C163-H171 PolarHBondContact O-ND1 3.16Å; C163-H171 WeakPolarHBondContact SG-CB 3.4Å; L166-H171 PolarHBondContact O-CE1 3.31Å; L166-H171 VanDerWaalsContact O-CE1 3.31Å; L166-H171 PolarHBondContact O-ND1 2.89Å; P167-H171 PolarHBondContact O-ND1 3.09Å; L168-H171 WeakPolarHBondContact CD2-NE2 3.3Å; L168-H171 PolarHBondContact O-N 2.82Å; L168-H171 VanDerWaalsContact O-N 3.09Å; F169-H171 VanDerWaalsContact C-N 3.34Å; H171-R173 PolarHBondContact O-N 2.84Å
172C85.7Confident79.5Confident40 Ų4092.8 Ų92.827%0.2749%0.492SS..  trans-8496.2173.8-700000111.9L168 E174 M175L168-C172 WeakPolarHBondContact O-CB 3.32Å; L168-C172 PolarHBondContact O-N 3.21Å; L168-C172 PolarHBondContact O-SG 2.9Å; L168-C172 VanDerWaalsContact O-SG 3.39Å; C172-E174 PolarHBondContact O-N 3.13Å; C172-E174 VanDerWaalsContact O-N 3.1Å; C172-M175 HydrophobicContact CB-CB 4.34Å; C172-M175 HydrophobicContact CB-CE 4.09Å; C172-M175 HydrophobicContact CB-CG 3.76Å; C172-M175 HydrophobicContact CB-SD 3.71Å; C172-M175 WeakPolarHBondContact O-CB 3.45Å; C172-M175 PolarHBondContact O-N 3.13Å
173R87Confident77.9Confident162 Ų16298.7 Ų98.761%0.61152%0.523SS*.G310 helixtrans-48.4-39.8177.3-176.8177.3177-165.3-1.5113.6H171 M175 S176 W208H171-R173 PolarHBondContact O-N 2.84Å; R173-M175 VanDerWaalsContact C-N 3.3Å; R173-M175 PolarHBondContact O-N 3.11Å; R173-S176 WeakPolarHBondContact O-CB 3.35Å; R173-S176 PolarHBondContact O-N 3.35Å; R173-W208 HydrophobicContact CB-CD2 3.61Å; R173-W208 HydrophobicContact CB-CE3 3.86Å; R173-W208 HydrophobicContact CB-CG 3.93Å; R173-W208 HydrophobicContact CB-CZ2 4.34Å; R173-W208 HydrophobicContact CB-CZ3 4.31Å; R173-W208 HydrophobicContact CG-CD2 3.98Å; R173-W208 HydrophobicContact CG-CG 4.12Å; R173-W208 HydrophobicContact CG-CZ2 4.25Å
174E80.5Confident76.4Confident156 Ų156105.3 Ų105.373%0.72956%0.558SS**G310 helixtrans-61.8-33.9-178.3-65.4168.8-173.400112.9C172 S176 L177C172-E174 PolarHBondContact O-N 3.13Å; C172-E174 VanDerWaalsContact O-N 3.1Å; E174-S176 PolarHBondContact O-N 3.43Å; E174-L177 PolarHBondContact O-N 3.4Å
175M72.9Confident74.6Confident85 Ų85106.8 Ų106.842%0.41956%0.564SS.*G310 helixtrans-67.6-20.7-180-65.5-178.4177.600112.9F169 C172 R173F169-M175 HydrophobicContact CD1-SD 3.4Å; F169-M175 WeakPolarHBondContact CD1-SD 3.4Å; F169-M175 HydrophobicContact CE1-SD 3.8Å; F169-M175 HydrophobicContact CG-SD 4.14Å; C172-M175 HydrophobicContact CB-CB 4.34Å; C172-M175 HydrophobicContact CB-CE 4.09Å; C172-M175 HydrophobicContact CB-CG 3.76Å; C172-M175 HydrophobicContact CB-SD 3.71Å; C172-M175 WeakPolarHBondContact O-CB 3.45Å; C172-M175 PolarHBondContact O-N 3.13Å; R173-M175 VanDerWaalsContact C-N 3.3Å; R173-M175 PolarHBondContact O-N 3.11Å
176S63.9Low73Confident58 Ų58107.1 Ų107.141%0.40657%0.567SS.*G310 helixtrans-81.3-15.9-178.6-174.50000114.3R173 E174R173-S176 WeakPolarHBondContact O-CB 3.35Å; R173-S176 PolarHBondContact O-N 3.35Å; E174-S176 PolarHBondContact O-N 3.43Å
177L68.6Low71.2Confident109 Ų109114.8 Ų114.857%0.57161%0.608SS**THydrogen-bonded Turntrans-95.5-28.9-170.5-67.4172.7000113.3E174 N179 S180E174-L177 PolarHBondContact O-N 3.4Å; L177-N179 PolarHBondContact O-N 3Å; L177-N179 VanDerWaalsContact O-N 3.12Å; L177-S180 PolarHBondContact O-N 2.99Å
178N65.7Low69.2Low127 Ų127122.5 Ų122.568%0.67963%0.632SS**THydrogen-bonded Turntrans-70.1-12.5-168.3-63.2-8.3000114.9
179N60.4Low67Low153 Ų153122.7 Ų122.782%0.81864%0.642SS**THydrogen-bonded Turntrans-96.9-3.4-177.8-735.5000114.4L177L177-N179 PolarHBondContact O-N 3Å; L177-N179 VanDerWaalsContact O-N 3.12Å
180S58.3Low64.9Low107 Ų107121.5 Ų121.575%0.74865%0.649SS**SBendtrans-109.85.1-173.8-164.90000114.8L177L177-S180 PolarHBondContact O-N 2.99Å
181A56.3Low62.4Low90 Ų90125.8 Ų125.874%0.74468%0.681SS**  trans-112.818.9-172.800000113.9
182L58.3Low60.5Low144 Ų144131.7 Ų131.775%0.75471%0.713SS**  trans-105.736.4-174-130.4172.4000112.4
183I57.7Low58.3Low159 Ų159134.9 Ų134.982%0.81574%0.736SS**SBendtrans-142.762.7179.5-43177.8000110.4
184D60.1Low56.6Low149 Ų149136 Ų13680%0.79775%0.753SS**  -174.1111.6122-121.8-30.3000110.2N186D184-N186 VanDerWaalsContact C-N 3.32Å; D184-N186 PolarHBondContact O-N 3.39Å
185E56Low54.6Low178 Ų178133.6 Ų133.683%0.83275%0.754SS**  trans-88.965.5175.6-81.5-89.5148.100109.7
186N55.5Low53.3Low145 Ų145135.1 Ų135.178%0.77577%0.772SS**  trans-168.869.2168.5-93.4-43.6000113D184D184-N186 VanDerWaalsContact C-N 3.32Å; D184-N186 PolarHBondContact O-N 3.39Å
187D54.7Low52Low173 Ų173136.1 Ų136.193%0.92579%0.792SS**  -169.3152.8126.1-114.2-32.8000113.2
188Y49.4Very low51.3Low215 Ų215137.7 Ų137.784%0.84380%0.799SS**  trans-115.393.4-152.7-164.7-89.4000114
189S44.9Very low50.6Low112 Ų112141.1 Ų141.178%0.78381%0.811SS**  trans-162.590.4167.7-84.20000114.9S191S189-S191 PolarHBondContact O-N 2.9Å
190P45.9Very low50Low126 Ų126137.7 Ų137.782%0.81880%0.799SS**  trans-90.871.7-177.336-35.4000113.6
191S39.8Very low49.8Very low102 Ų102138 Ų13871%0.71380%0.801SS**  trans-155.978.4172.265.50000115S189S189-S191 PolarHBondContact O-N 2.9Å
192L49.7Very low49.9Very low175 Ų175141.7 Ų141.792%0.91680%0.803SS**  trans-125.4113.5163.3-74.2177.8000110.9
193S38.1Very low49.9Very low108 Ų108141.4 Ų141.476%0.75580%0.798SS**  trans-68.3141.9179.6-50.20000111.8S195S193-S195 PolarHBondContact O-N 2.94Å
194L51.7Low50.2Low184 Ų184138.4 Ų138.496%0.96379%0.791SS**SBendtrans-71.472.6167.8-73.880.9000110.3
195S38.6Very low51.1Low107 Ų107137 Ų13775%0.74878%0.783SS**  trans-154.549.5-177.4-172.40000113.9S193S193-S195 PolarHBondContact O-N 2.94Å
196S45.1Very low52.5Low116 Ų116133.1 Ų133.181%0.81177%0.772SS**  trans-128.5143149.364.20000108.7
197G37.8Very low54.2Low79 Ų79127.2 Ų127.281%0.81474%0.741SS**  cis131.218.2800000113.2
198I54.1Low56.1Low143 Ų143122.8 Ų122.873%0.73371%0.712SS**  trans-123.9132.1-177.6-57.4-179.8000109.2S200I198-S200 PolarHBondContact O-N 3.32Å; I198-S200 PolarHBondContact O-OG 3.47Å; I198-S200 VanDerWaalsContact O-OG 3.05Å
199E49.9Very low58.2Low199 Ų199113 Ų11393%0.9367%0.674SS**  trans-61.4114.4-170.9-60.1175.2151.300111.7
200S48.8Very low60.5Low80 Ų80110.2 Ų110.256%0.55965%0.648SS**  trans-151.940.1-17645.60000111.9I198 E202I198-S200 PolarHBondContact O-N 3.32Å; I198-S200 PolarHBondContact O-OG 3.47Å; I198-S200 VanDerWaalsContact O-OG 3.05Å; S200-E202 PolarHBondContact O-N 3.06Å
201S52.5Low62.6Low114 Ų114108.1 Ų108.180%0.79764%0.635SS**THydrogen-bonded Turntrans-67.6-1.4-167.649.80000116.8
202E58.6Low65.1Low168 Ų168106.8 Ų106.879%0.78562%0.622SS**THydrogen-bonded Turntrans-118.1-17.6-176.3-60.3-166.6153.300114.6S200S200-E202 PolarHBondContact O-N 3.06Å
203Q59.7Low67.1Low138 Ų13898.4 Ų98.465%0.64558%0.579SS**G310 helixtrans-78.2-19.3179.6-106.276.740.500114.5N205 T206Q203-N205 PolarHBondContact O-N 3.07Å; Q203-N205 VanDerWaalsContact O-N 3.13Å; Q203-T206 PolarHBondContact O-N 2.92Å; Q203-T206 VanDerWaalsContact O-N 3.16Å; Q203-T206 PolarHBondContact O-OG1 2.74Å
204S63.2Low69.7Low95 Ų9594 Ų9466%0.66455%0.546SS*.G310 helixtrans-63.5-20.4-167.853.60000115.3
205N78Confident71.5Confident119 Ų11990.4 Ų90.464%0.63653%0.528SS*.G310 helixtrans-87.43.2179.3-70.1-37.9000114.1L156 Q203L156-N205 WeakPolarHBondContact CD1-O 3.4Å; L156-N205 HydrophobicContact CD2-CB 4.34Å; Q203-N205 PolarHBondContact O-N 3.07Å; Q203-N205 VanDerWaalsContact O-N 3.13Å
206T85.7Confident73.9Confident98 Ų9886.8 Ų86.860%0.60150%0.5SS*.SBendtrans-81.5129.117955.50000111.8Q203 W208Q203-T206 PolarHBondContact O-N 2.92Å; Q203-T206 VanDerWaalsContact O-N 3.16Å; Q203-T206 PolarHBondContact O-OG1 2.74Å; T206-W208 PolarHBondContact O-N 3.28Å; T206-W208 VanDerWaalsContact O-N 3.14Å
207V92.6Very high76Confident20 Ų2089 Ų8912%0.12150%0.498CS..  trans-71.7109.1175.3176.50000108.8F151 L156 Q159 Q160 C163F151-V207 HydrophobicContact CE1-CG1 4.49Å; F151-V207 HydrophobicContact CZ-CG1 4.29Å; L156-V207 HydrophobicContact CD1-CG2 3.68Å; Q159-V207 HydrophobicContact CB-CB 4.16Å; Q159-V207 HydrophobicContact CB-CG2 3.91Å; Q160-V207 HydrophobicContact CG-CG2 3.59Å; C163-V207 HydrophobicContact CB-CG1 3.77Å; C163-V207 VanDerWaalsContact SG-CG1 3.53Å
208W93.6Very high78.5Confident81 Ų8193 Ų9331%0.30749%0.493SS..  trans-67.2139.1170.8-173.192000110R173 T206 H210R173-W208 HydrophobicContact CB-CD2 3.61Å; R173-W208 HydrophobicContact CB-CE3 3.86Å; R173-W208 HydrophobicContact CB-CG 3.93Å; R173-W208 HydrophobicContact CB-CZ2 4.34Å; R173-W208 HydrophobicContact CB-CZ3 4.31Å; R173-W208 HydrophobicContact CG-CD2 3.98Å; R173-W208 HydrophobicContact CG-CG 4.12Å; R173-W208 HydrophobicContact CG-CZ2 4.25Å; T206-W208 PolarHBondContact O-N 3.28Å; T206-W208 VanDerWaalsContact O-N 3.14Å; W208-H210 HydrophobicContact CH2-CB 3.69Å; W208-H210 AromaticContact CH2-CD2 3.84Å; W208-H210 HydrophobicContact CZ3-CB 3.92Å
209L93.2Very high80.1Confident10 Ų1087.2 Ų87.25%0.05246%0.463CS..  trans-143.6132.6-178.7-170.472.5000108.5F151 L166 A213 L214F151-L209 HydrophobicContact CD1-CD2 3.99Å; F151-L209 HydrophobicContact CD2-CD2 4.28Å; F151-L209 HydrophobicContact CE1-CB 4.37Å; F151-L209 HydrophobicContact CE1-CD2 3.89Å; F151-L209 HydrophobicContact CE2-CD2 4.17Å; F151-L209 HydrophobicContact CG-CD2 4.2Å; F151-L209 HydrophobicContact CZ-CD1 4.48Å; F151-L209 HydrophobicContact CZ-CD2 3.98Å; L166-L209 HydrophobicContact CD1-CD1 3.69Å; L209-A213 HydrophobicContact CD1-CB 3.73Å; L209-A213 HydrophobicContact CD2-CB 4.2Å; L209-A213 HydrophobicContact CG-CB 3.71Å; L209-L214 HydrophobicContact CD2-CD1 4.14Å; L209-L214 HydrophobicContact CD2-CD2 3.94Å; L209-L214 HydrophobicContact CD2-CG 3.81Å
210H93.2Very high81.9Confident53 Ų5379.2 Ų79.225%0.24543%0.427CS..  trans-64.5140.2179.8-172.4-108.5000110.5D170 W208 T212 A213D170-H210 WeakPolarHBondContact O-CB 3.36Å; D170-H210 PolarHBondContact O-N 3.14Å; W208-H210 HydrophobicContact CH2-CB 3.69Å; W208-H210 AromaticContact CH2-CD2 3.84Å; W208-H210 HydrophobicContact CZ3-CB 3.92Å; H210-T212 PolarHBondContact CE1-OG1 3.02Å; H210-T212 VanDerWaalsContact CE1-OG1 3.28Å; H210-T212 PolarHBondContact ND1-OG1 2.85Å; H210-T212 PolarHBondContact O-N 2.81Å; H210-A213 HydrophobicContact CB-CB 4.48Å; H210-A213 WeakPolarHBondContact O-CB 3.3Å; H210-A213 PolarHBondContact O-N 3.5Å
211P90.9Very high84Confident81 Ų8180.8 Ų80.853%0.52642%0.424SS..THydrogen-bonded Turntrans-57.8-24.5-174.2-28.737.1000115.4
212T91.8Very high85.8Confident74 Ų7477.8 Ų77.845%0.45441%0.407SS..THydrogen-bonded Turntrans-89-8.6176.964.90000114.2H210 L214 N215 N216H210-T212 PolarHBondContact CE1-OG1 3.02Å; H210-T212 VanDerWaalsContact CE1-OG1 3.28Å; H210-T212 PolarHBondContact ND1-OG1 2.85Å; H210-T212 PolarHBondContact O-N 2.81Å; T212-L214 PolarHBondContact O-N 3.34Å; T212-N215 CarbonylContact O-C 3.31Å; T212-N215 VanDerWaalsContact O-C 3.31Å; T212-N215 VanDerWaalsContact O-CA 3.31Å; T212-N215 WeakPolarHBondContact O-CA 3.43Å; T212-N215 WeakPolarHBondContact O-CB 3.48Å; T212-N215 PolarHBondContact O-N 2.93Å; T212-N216 PolarHBondContact O-N 3.09Å
213A92.8Very high87.3Confident0 Ų070.9 Ų70.90%038%0.375CS..G310 helixtrans-59.4-43.6-167.500000114L166 D170 L209 H210 N215 N216L166-A213 HydrophobicContact CD1-CB 4.24Å; D170-A213 HydrophobicContact CB-CB 3.61Å; D170-A213 VanDerWaalsContact OD1-CA 3.3Å; D170-A213 WeakPolarHBondContact OD1-CA 3.18Å; L209-A213 HydrophobicContact CD1-CB 3.73Å; L209-A213 HydrophobicContact CD2-CB 4.2Å; L209-A213 HydrophobicContact CG-CB 3.71Å; H210-A213 HydrophobicContact CB-CB 4.48Å; H210-A213 WeakPolarHBondContact O-CB 3.3Å; H210-A213 PolarHBondContact O-N 3.5Å; A213-N215 VanDerWaalsContact C-N 3.25Å; A213-N215 PolarHBondContact O-N 3.28Å; A213-N216 WeakPolarHBondContact O-CB 3.28Å; A213-N216 PolarHBondContact O-N 3.16Å
214L91Very high88.7Confident14 Ų1471 Ų717%0.07338%0.375CS..G310 helixtrans-75.9-15.7176-56.1178.5000112.8I146 N147 R148 F151 L209 T212 F219I146-L214 HydrophobicContact CG2-CD2 4.29Å; N147-L214 VanDerWaalsContact C-CD1 3.49Å; N147-L214 WeakPolarHBondContact O-CD1 3.41Å; R148-L214 HydrophobicContact CB-CD1 4.34Å; F151-L214 HydrophobicContact CB-CD1 3.91Å; F151-L214 HydrophobicContact CD2-CD2 4.25Å; F151-L214 HydrophobicContact CG-CD1 4.38Å; L209-L214 HydrophobicContact CD2-CD1 4.14Å; L209-L214 HydrophobicContact CD2-CD2 3.94Å; L209-L214 HydrophobicContact CD2-CG 3.81Å; T212-L214 PolarHBondContact O-N 3.34Å; L214-F219 HydrophobicContact CB-CE1 4.43Å; L214-F219 HydrophobicContact CD2-CD1 4.33Å; L214-F219 HydrophobicContact CD2-CE1 3.79Å; L214-F219 HydrophobicContact CD2-CZ 4.15Å
215N89.9Confident90.2Very high109 Ų10968.1 Ų68.158%0.58335%0.352SS*.G310 helixtrans-93.5-6.2172.9-76.9-34.4000113.1T212 A213 E217T212-N215 CarbonylContact O-C 3.31Å; T212-N215 VanDerWaalsContact O-C 3.31Å; T212-N215 VanDerWaalsContact O-CA 3.31Å; T212-N215 WeakPolarHBondContact O-CA 3.43Å; T212-N215 WeakPolarHBondContact O-CB 3.48Å; T212-N215 PolarHBondContact O-N 2.93Å; A213-N215 VanDerWaalsContact C-N 3.25Å; A213-N215 PolarHBondContact O-N 3.28Å; N215-E217 PolarHBondContact O-N 3.42Å
216N88.9Confident90.8Very high32 Ų3265.1 Ų65.117%0.17133%0.334CS..  trans-54.4134.5179-173.8-30.7000110.2D170 T212 A213 F218 F219 T220D170-N216 PolarHBondContact OD2-ND2 3.27Å; T212-N216 PolarHBondContact O-N 3.09Å; A213-N216 WeakPolarHBondContact O-CB 3.28Å; A213-N216 PolarHBondContact O-N 3.16Å; N216-F218 PolarHBondContact O-N 3.48Å; N216-F218 WeakPolarHBondContact OD1-CD2 3.18Å; N216-F218 PolarHBondContact OD1-N 2.9Å; N216-F219 HydrophobicContact CB-CB 4.37Å; N216-F219 PolarHBondContact O-N 2.95Å; N216-F219 VanDerWaalsContact O-N 3.12Å; N216-T220 WeakPolarHBondContact O-CB 3.49Å; N216-T220 PolarHBondContact O-N 3.45Å; N216-T220 PolarHBondContact O-OG1 2.95Å
217E90.7Very high90.9Very high161 Ų16161.5 Ų61.575%0.75231%0.313SS*.Hα-helixtrans-56.5-38.1178.1-64.4-168.5161.200112N215 F219 K221N215-E217 PolarHBondContact O-N 3.42Å; E217-F219 PolarHBondContact O-N 2.89Å; E217-K221 WeakPolarHBondContact O-CB 3.15Å; E217-K221 PolarHBondContact O-N 2.92Å
218F89.3Confident90.9Very high164 Ų16464.5 Ų64.572%0.71933%0.328SS*.Hα-helixtrans-63.4-41.4177.3-69.7-74.6000112.1N216 A222N216-F218 PolarHBondContact O-N 3.48Å; N216-F218 WeakPolarHBondContact OD1-CD2 3.18Å; N216-F218 PolarHBondContact OD1-N 2.9Å; F218-A222 VanDerWaalsContact O-CB 3.23Å; F218-A222 WeakPolarHBondContact O-CB 3.4Å; F218-A222 PolarHBondContact O-N 3.39Å
219F88.4Confident90.8Very high21 Ų2165.7 Ų65.79%0.09233%0.332CS..Hα-helixtrans-73.8-46.5177.9-175.3-109.9000111.7I146 L166 L214 N216 E217 K221 A222 L223I146-F219 HydrophobicContact CD1-CZ 4.32Å; I146-F219 HydrophobicContact CG2-CE1 4.28Å; I146-F219 HydrophobicContact CG2-CZ 4.09Å; L166-F219 HydrophobicContact CD2-CB 3.77Å; L166-F219 HydrophobicContact CD2-CD2 3.6Å; L166-F219 HydrophobicContact CD2-CE2 4.39Å; L166-F219 HydrophobicContact CD2-CG 3.82Å; L214-F219 HydrophobicContact CB-CE1 4.43Å; L214-F219 HydrophobicContact CD2-CD1 4.33Å; L214-F219 HydrophobicContact CD2-CE1 3.79Å; L214-F219 HydrophobicContact CD2-CZ 4.15Å; N216-F219 HydrophobicContact CB-CB 4.37Å; N216-F219 PolarHBondContact O-N 2.95Å; N216-F219 VanDerWaalsContact O-N 3.12Å; E217-F219 PolarHBondContact O-N 2.89Å; F219-K221 VanDerWaalsContact C-N 3.3Å; F219-K221 PolarHBondContact O-N 3.43Å; F219-A222 PolarHBondContact O-N 3.07Å; F219-A222 VanDerWaalsContact O-N 3.11Å; F219-L223 HydrophobicContact CD1-CD1 4.06Å; F219-L223 HydrophobicContact CD1-CG 4.47Å; F219-L223 HydrophobicContact CE1-CD1 3.5Å; F219-L223 HydrophobicContact CE1-CG 4.15Å; F219-L223 HydrophobicContact CE2-CD2 4.37Å; F219-L223 HydrophobicContact CE2-CG 4.36Å; F219-L223 HydrophobicContact CZ-CD1 3.77Å; F219-L223 HydrophobicContact CZ-CD2 4.2Å; F219-L223 HydrophobicContact CZ-CG 4.09Å; F219-L223 WeakPolarHBondContact O-CG 3.23Å; F219-L223 PolarHBondContact O-N 3.13Å
220T87.8Confident90.6Very high31 Ų3165.2 Ų65.219%0.1933%0.33CS..Hα-helixtrans-52.4-49.4172.8-68.60000110.8K143 N216 L223 Q224K143-T220 HydrophobicContact CD-CG2 3.93Å; K143-T220 WeakPolarHBondContact CE-OG1 3.34Å; K143-T220 PolarHBondContact NZ-OG1 3.27Å; N216-T220 WeakPolarHBondContact O-CB 3.49Å; N216-T220 PolarHBondContact O-N 3.45Å; N216-T220 PolarHBondContact O-OG1 2.95Å; T220-L223 PolarHBondContact O-N 3.19Å; T220-Q224 PolarHBondContact O-N 2.96Å
221K91.6Very high90.4Very high113 Ų11365.5 Ų65.549%0.49134%0.341SS..Hα-helixtrans-67.9-37.8178.1-168-172.1-173.7-52.10111.9E217 F219 L223 Q224 D225E217-K221 WeakPolarHBondContact O-CB 3.15Å; E217-K221 PolarHBondContact O-N 2.92Å; F219-K221 VanDerWaalsContact C-N 3.3Å; F219-K221 PolarHBondContact O-N 3.43Å; K221-L223 VanDerWaalsContact C-N 3.34Å; K221-L223 PolarHBondContact O-N 3.01Å; K221-Q224 PolarHBondContact O-N 3.21Å; K221-D225 IonicContact NZ-OD1 3.81Å; K221-D225 PolarHBondContact NZ-OD1 3.37Å; K221-D225 IonicContact NZ-OD2 3.02Å; K221-D225 PolarHBondContact NZ-OD2 3.28Å; K221-D225 WeakPolarHBondContact O-CB 3.11Å; K221-D225 PolarHBondContact O-N 2.9Å
222A90.6Very high90.4Very high52 Ų5267.4 Ų67.443%0.4334%0.342SS..Hα-helixtrans-63-39.3176.400000112.3F218 F219 F226F218-A222 VanDerWaalsContact O-CB 3.23Å; F218-A222 WeakPolarHBondContact O-CB 3.4Å; F218-A222 PolarHBondContact O-N 3.39Å; F219-A222 PolarHBondContact O-N 3.07Å; F219-A222 VanDerWaalsContact O-N 3.11Å; A222-F226 WeakPolarHBondContact O-CB 3.43Å; A222-F226 PolarHBondContact O-N 2.8Å
223L90.8Very high90.4Very high22 Ų2265 Ų6512%0.11533%0.331CS..Hα-helixtrans-68.6-41.3174.5-68.6-174.2000112.5L142 K143 I146 F219 T220 K221 F226L142-L223 HydrophobicContact CB-CB 4.15Å; L142-L223 HydrophobicContact CB-CD1 4.19Å; L142-L223 HydrophobicContact CB-CD2 4.06Å; L142-L223 HydrophobicContact CB-CG 4.37Å; L142-L223 HydrophobicContact CD1-CD2 4.27Å; K143-L223 HydrophobicContact CB-CD1 4.41Å; I146-L223 HydrophobicContact CD1-CD1 4.31Å; I146-L223 HydrophobicContact CD1-CD2 4.09Å; F219-L223 HydrophobicContact CD1-CD1 4.06Å; F219-L223 HydrophobicContact CD1-CG 4.47Å; F219-L223 HydrophobicContact CE1-CD1 3.5Å; F219-L223 HydrophobicContact CE1-CG 4.15Å; F219-L223 HydrophobicContact CE2-CD2 4.37Å; F219-L223 HydrophobicContact CE2-CG 4.36Å; F219-L223 HydrophobicContact CZ-CD1 3.77Å; F219-L223 HydrophobicContact CZ-CD2 4.2Å; F219-L223 HydrophobicContact CZ-CG 4.09Å; F219-L223 WeakPolarHBondContact O-CG 3.23Å; F219-L223 PolarHBondContact O-N 3.13Å; T220-L223 PolarHBondContact O-N 3.19Å; K221-L223 VanDerWaalsContact C-N 3.34Å; K221-L223 PolarHBondContact O-N 3.01Å; L223-F226 WeakPolarHBondContact O-CB 3.17Å; L223-F226 PolarHBondContact O-N 3.48Å
224Q89.6Confident90.4Very high141 Ų14169.2 Ų69.266%0.65935%0.351SS*.Hα-helixtrans-67.4-45.2175.9-168.2174.116.700111.6T220 K221 F226 D228T220-Q224 PolarHBondContact O-N 2.96Å; K221-Q224 PolarHBondContact O-N 3.21Å; Q224-F226 PolarHBondContact O-N 3.5Å; Q224-D228 PolarHBondContact O-N 3.29Å
225D93.1Very high90.1Very high34 Ų3472.6 Ų72.618%0.18237%0.365CS..Hα-helixtrans-58.7-31.7171.7-86.224.2000111.7K221 D228 R229K221-D225 IonicContact NZ-OD1 3.81Å; K221-D225 PolarHBondContact NZ-OD1 3.37Å; K221-D225 IonicContact NZ-OD2 3.02Å; K221-D225 PolarHBondContact NZ-OD2 3.28Å; K221-D225 WeakPolarHBondContact O-CB 3.11Å; K221-D225 PolarHBondContact O-N 2.9Å; D225-D228 PolarHBondContact O-N 3.29Å; D225-R229 VanDerWaalsContact O-CB 3.26Å; D225-R229 WeakPolarHBondContact O-CB 3.31Å; D225-R229 WeakPolarHBondContact O-CG 3.42Å; D225-R229 PolarHBondContact O-N 3.2Å; D225-R229 IonicContact OD2-CZ 3.66Å; D225-R229 IonicContact OD2-NE 3.83Å; D225-R229 IonicContact OD2-NH2 2.74Å; D225-R229 PolarHBondContact OD2-NH2 2.89Å
226F90.6Very high89.8Confident57 Ų5769.8 Ų69.825%0.2535%0.352CS..Hα-helixtrans-61.6-55.1-179.7177.6-85.2000111.4L137 L142 A222 L223 Q224 D228 R229 Q230 F235L137-F226 HydrophobicContact CB-CE1 4.38Å; L142-F226 HydrophobicContact CD1-CB 4.29Å; L142-F226 HydrophobicContact CD1-CD1 3.55Å; L142-F226 HydrophobicContact CD1-CE1 4.21Å; L142-F226 HydrophobicContact CD1-CG 4.11Å; A222-F226 WeakPolarHBondContact O-CB 3.43Å; A222-F226 PolarHBondContact O-N 2.8Å; L223-F226 WeakPolarHBondContact O-CB 3.17Å; L223-F226 PolarHBondContact O-N 3.48Å; Q224-F226 PolarHBondContact O-N 3.5Å; F226-D228 PolarHBondContact O-N 2.8Å; F226-R229 PolarHBondContact O-N 2.85Å; F226-Q230 HydrophobicContact CE1-CB 4.44Å; F226-Q230 WeakPolarHBondContact O-CB 3.44Å; F226-Q230 PolarHBondContact O-N 3.31Å; F226-F235 HydrophobicContact CD2-CE1 4.49Å; F226-F235 AromaticContact CD2-CE2 3.54Å; F226-F235 HydrophobicContact CD2-CE2 3.54Å; F226-F235 AromaticContact CD2-CZ 3.48Å; F226-F235 HydrophobicContact CD2-CZ 3.48Å; F226-F235 VanDerWaalsContact CD2-CZ 3.48Å; F226-F235 HydrophobicContact CE2-CD2 4.14Å; F226-F235 HydrophobicContact CE2-CE1 4.31Å; F226-F235 AromaticContact CE2-CE2 3.48Å; F226-F235 HydrophobicContact CE2-CE2 3.48Å; F226-F235 VanDerWaalsContact CE2-CE2 3.48Å; F226-F235 AromaticContact CE2-CZ 3.59Å; F226-F235 HydrophobicContact CE2-CZ 3.59Å; F226-F235 HydrophobicContact CG-CE2 4.14Å; F226-F235 HydrophobicContact CG-CZ 4.39Å; F226-F235 HydrophobicContact CZ-CD2 4.4Å; F226-F235 HydrophobicContact CZ-CE2 4.04Å
227S89.4Confident89.3Confident22 Ų2271.5 Ų71.515%0.15437%0.365CS..Hα-helixtrans-59.9-36.6178.5-56.80000110.9L137 Q230 A231L137-S227 PolarHBondContact O-OG 3.12Å; S227-Q230 PolarHBondContact O-N 3.44Å; S227-A231 VanDerWaalsContact O-CB 3.3Å; S227-A231 WeakPolarHBondContact O-CB 3.32Å; S227-A231 PolarHBondContact O-N 3.13Å
228D91.2Very high88.5Confident83 Ų8373.3 Ų73.344%0.44437%0.365SS..Hα-helixtrans-68-40.3178.2-14341.3000112.6Q224 D225 F226 K232Q224-D228 PolarHBondContact O-N 3.29Å; D225-D228 PolarHBondContact O-N 3.29Å; F226-D228 PolarHBondContact O-N 2.8Å; D228-K232 WeakPolarHBondContact O-CB 3.4Å; D228-K232 WeakPolarHBondContact O-CD 3.34Å; D228-K232 VanDerWaalsContact O-CE 3.32Å; D228-K232 WeakPolarHBondContact O-CE 3.45Å; D228-K232 WeakPolarHBondContact O-CG 3.43Å; D228-K232 PolarHBondContact O-N 3.43Å; D228-K232 VanDerWaalsContact OD2-CE 3.31Å; D228-K232 WeakPolarHBondContact OD2-CE 3.4Å; D228-K232 IonicContact OD2-NZ 2.65Å; D228-K232 PolarHBondContact OD2-NZ 3.01Å
229R91.9Very high87.5Confident105 Ų10572.2 Ų72.240%0.39637%0.365SS..Hα-helixtrans-74.7-33.7175.8-70.8176.1-157.1-173.59.7112.3D225 F226 K232 G233 E234 F235D225-R229 VanDerWaalsContact O-CB 3.26Å; D225-R229 WeakPolarHBondContact O-CB 3.31Å; D225-R229 WeakPolarHBondContact O-CG 3.42Å; D225-R229 PolarHBondContact O-N 3.2Å; D225-R229 IonicContact OD2-CZ 3.66Å; D225-R229 IonicContact OD2-NE 3.83Å; D225-R229 IonicContact OD2-NH2 2.74Å; D225-R229 PolarHBondContact OD2-NH2 2.89Å; F226-R229 PolarHBondContact O-N 2.85Å; R229-K232 PolarHBondContact O-N 2.87Å; R229-G233 PolarHBondContact O-N 3.3Å; R229-E234 HydrophobicContact CB-CB 4.17Å; R229-E234 HydrophobicContact CB-CG 4.34Å; R229-E234 WeakPolarHBondContact CG-OE2 3.15Å; R229-E234 WeakPolarHBondContact O-CB 3.42Å; R229-E234 PolarHBondContact O-N 3.24Å; R229-F235 HydrophobicContact CB-CE2 3.96Å; R229-F235 HydrophobicContact CB-CZ 4.28Å
230Q88.8Confident86Confident0 Ų082.4 Ų82.40%040%0.403CS..Hα-helixtrans-66.5-45.3172.5-168.2-178.732.100110.4L130 P133 T138 F226 S227 K232 G233 F235L130-Q230 PolarHBondContact O-NE2 3.09Å; P133-Q230 WeakPolarHBondContact CB-O 3.39Å; T138-Q230 HydrophobicContact CG2-CB 3.78Å; T138-Q230 HydrophobicContact CG2-CG 3.62Å; F226-Q230 HydrophobicContact CE1-CB 4.44Å; F226-Q230 WeakPolarHBondContact O-CB 3.44Å; F226-Q230 PolarHBondContact O-N 3.31Å; S227-Q230 PolarHBondContact O-N 3.44Å; Q230-K232 VanDerWaalsContact C-N 3.31Å; Q230-K232 PolarHBondContact O-N 3.17Å; Q230-G233 PolarHBondContact O-N 3.13Å; Q230-F235 HydrophobicContact CB-CD2 3.8Å; Q230-F235 HydrophobicContact CB-CE2 4.09Å; Q230-F235 HydrophobicContact CG-CD2 4.25Å
231A89Confident84.4Confident59 Ų5986.6 Ų86.649%0.48842%0.424SS..Hα-helixtrans-61.8-33.7172.400000113.3S227 G233S227-A231 VanDerWaalsContact O-CB 3.3Å; S227-A231 WeakPolarHBondContact O-CB 3.32Å; S227-A231 PolarHBondContact O-N 3.13Å; A231-G233 PolarHBondContact O-N 3.25Å
232K91.5Very high82.7Confident122 Ų12291 Ų9153%0.5344%0.438SS..THydrogen-bonded Turntrans-73.8-8.5172.1-70.3159.6-158.3166.90114.1D228 R229 Q230 E234D228-K232 WeakPolarHBondContact O-CB 3.4Å; D228-K232 WeakPolarHBondContact O-CD 3.34Å; D228-K232 VanDerWaalsContact O-CE 3.32Å; D228-K232 WeakPolarHBondContact O-CE 3.45Å; D228-K232 WeakPolarHBondContact O-CG 3.43Å; D228-K232 PolarHBondContact O-N 3.43Å; D228-K232 VanDerWaalsContact OD2-CE 3.31Å; D228-K232 WeakPolarHBondContact OD2-CE 3.4Å; D228-K232 IonicContact OD2-NZ 2.65Å; D228-K232 PolarHBondContact OD2-NZ 3.01Å; R229-K232 PolarHBondContact O-N 2.87Å; Q230-K232 VanDerWaalsContact C-N 3.31Å; Q230-K232 PolarHBondContact O-N 3.17Å; K232-E234 HydrophobicContact CB-CG 4.16Å
233G91.5Very high81.3Confident22 Ų2292.1 Ų92.123%0.22745%0.447CS..THydrogen-bonded Turntrans68.733.6-176.400000113.6R229 Q230 A231 T236R229-G233 PolarHBondContact O-N 3.3Å; Q230-G233 PolarHBondContact O-N 3.13Å; A231-G233 PolarHBondContact O-N 3.25Å; G233-T236 WeakPolarHBondContact CA-OG1 3.39Å
234E91.8Very high79.7Confident89 Ų8993.1 Ų93.142%0.41646%0.462SS..SBendtrans-74.6-35.3176.4-67.9-174.6-157.300112.5R229 K232R229-E234 HydrophobicContact CB-CB 4.17Å; R229-E234 HydrophobicContact CB-CG 4.34Å; R229-E234 WeakPolarHBondContact CG-OE2 3.15Å; R229-E234 WeakPolarHBondContact O-CB 3.42Å; R229-E234 PolarHBondContact O-N 3.24Å; K232-E234 HydrophobicContact CB-CG 4.16Å
235F86Confident78.2Confident86 Ų8693.1 Ų93.138%0.37747%0.466SS..SBendtrans-77.4-28.1175-59.4-61.1000113.1F226 R229 Q230 P237F226-F235 HydrophobicContact CD2-CE1 4.49Å; F226-F235 AromaticContact CD2-CE2 3.54Å; F226-F235 HydrophobicContact CD2-CE2 3.54Å; F226-F235 AromaticContact CD2-CZ 3.48Å; F226-F235 HydrophobicContact CD2-CZ 3.48Å; F226-F235 VanDerWaalsContact CD2-CZ 3.48Å; F226-F235 HydrophobicContact CE2-CD2 4.14Å; F226-F235 HydrophobicContact CE2-CE1 4.31Å; F226-F235 AromaticContact CE2-CE2 3.48Å; F226-F235 HydrophobicContact CE2-CE2 3.48Å; F226-F235 VanDerWaalsContact CE2-CE2 3.48Å; F226-F235 AromaticContact CE2-CZ 3.59Å; F226-F235 HydrophobicContact CE2-CZ 3.59Å; F226-F235 HydrophobicContact CG-CE2 4.14Å; F226-F235 HydrophobicContact CG-CZ 4.39Å; F226-F235 HydrophobicContact CZ-CD2 4.4Å; F226-F235 HydrophobicContact CZ-CE2 4.04Å; R229-F235 HydrophobicContact CB-CE2 3.96Å; R229-F235 HydrophobicContact CB-CZ 4.28Å; Q230-F235 HydrophobicContact CB-CD2 3.8Å; Q230-F235 HydrophobicContact CB-CE2 4.09Å; Q230-F235 HydrophobicContact CG-CD2 4.25Å; F235-P237 VanDerWaalsContact O-CD 3.3Å; F235-P237 WeakPolarHBondContact O-CD 3.44Å; F235-P237 VanDerWaalsContact O-N 3.08Å
236T83.5Confident76.7Confident49 Ų49101.3 Ų101.330%0.30149%0.494SS..SBendtrans-54.7117.4176.3-41.10000108.8E131 G233 R238E131-T236 PolarHBondContact O-OG1 3.5Å; G233-T236 WeakPolarHBondContact CA-OG1 3.39Å; T236-R238 PolarHBondContact O-N 2.87Å
237P77.8Confident75.3Confident69 Ų69101.9 Ų101.945%0.44851%0.509SS..  trans-55.6110.5-169-30.635.9000110.4E131 F235 I239E131-P237 VanDerWaalsContact CD-CG 3.43Å; E131-P237 WeakPolarHBondContact OE1-CG 3.49Å; E131-P237 WeakPolarHBondContact OE2-CD 3.12Å; E131-P237 VanDerWaalsContact OE2-CG 3.25Å; E131-P237 WeakPolarHBondContact OE2-CG 3.46Å; F235-P237 VanDerWaalsContact O-CD 3.3Å; F235-P237 WeakPolarHBondContact O-CD 3.44Å; F235-P237 VanDerWaalsContact O-N 3.08Å; P237-I239 WeakPolarHBondContact O-CG1 3.44Å; P237-I239 PolarHBondContact O-N 3.05Å
238R74.7Confident73.8Confident198 Ų198109.1 Ų109.175%0.74754%0.541SS*.  trans-62.389.1-179.9-71.3-174.1-177.1175.93.6108.4T236 R240T236-R238 PolarHBondContact O-N 2.87Å; R238-R240 PolarHBondContact O-N 2.81Å
239I68.2Low72.4Confident141 Ų141110.6 Ų110.672%0.72355%0.552SS**  trans-51.6105-177.3-63.8179.2000105.8P237 N241P237-I239 WeakPolarHBondContact O-CG1 3.44Å; P237-I239 PolarHBondContact O-N 3.05Å; I239-N241 PolarHBondContact O-N 3.35Å
240R56.5Low70.9Confident235 Ų235108.4 Ų108.489%0.88756%0.563SS**  trans-71.183.3-173.7-79.6-177.7173.2161.9-2.8107.1R238 R242R238-R240 PolarHBondContact O-N 2.81Å; R240-R242 PolarHBondContact O-N 2.9Å
241N53.5Low69.4Low120 Ų120115.3 Ų115.364%0.64260%0.6SS**  trans-62.774.9170.3-83.6-49.2000108I239 A243 G244I239-N241 PolarHBondContact O-N 3.35Å; N241-A243 PolarHBondContact O-N 2.9Å; N241-G244 PolarHBondContact O-N 2.8Å
242R57.5Low67.9Low206 Ų206123.5 Ų123.578%0.77762%0.618SS**Hα-helixtrans-62.7-15.6-177.7-140.7170.9-175.5175.80.6111.2R240 R246R240-R242 PolarHBondContact O-N 2.9Å; R242-R246 WeakPolarHBondContact O-CG 3.47Å; R242-R246 PolarHBondContact O-N 3.29Å
243A59.7Low65.9Low75 Ų75127.2 Ų127.262%0.6263%0.63SS**Hα-helixtrans-61.1-44.4163.700000113.3N241 R246 A247N241-A243 PolarHBondContact O-N 2.9Å; A243-R246 PolarHBondContact O-N 3.12Å; A243-A247 PolarHBondContact O-N 3Å
244G58.7Low64Low42 Ų42137 Ų13743%0.43366%0.66SS.*Hα-helixtrans-65.1-47.9-177.600000113N241 R246 A247 H248N241-G244 PolarHBondContact O-N 2.8Å; G244-R246 PolarHBondContact O-N 2.96Å; G244-A247 WeakPolarHBondContact O-CB 3.41Å; G244-A247 PolarHBondContact O-N 3.23Å; G244-A247 VanDerWaalsContact O-N 3.16Å; G244-H248 PolarHBondContact O-N 2.99Å
245L57.9Low62.1Low142 Ų142142.9 Ų142.974%0.74368%0.68SS**Hα-helixtrans-66.2-22.6174.8-92159.7000113.4V249L245-V249 WeakPolarHBondContact O-CG2 3.44Å
246R61.1Low60.7Low205 Ų205144.1 Ų144.177%0.77470%0.695SS**Hα-helixtrans-82.5-29.4171.3-78.5-172.9167.6-142.2-3.8113.3R242 A243 G244R242-R246 WeakPolarHBondContact O-CG 3.47Å; R242-R246 PolarHBondContact O-N 3.29Å; A243-R246 PolarHBondContact O-N 3.12Å; G244-R246 PolarHBondContact O-N 2.96Å
247A60.7Low59Low69 Ų69146.7 Ų146.757%0.5772%0.715SS**Hα-helixtrans-64.1-40.7178.200000112.6A243 G244A243-A247 PolarHBondContact O-N 3Å; G244-A247 WeakPolarHBondContact O-CB 3.41Å; G244-A247 PolarHBondContact O-N 3.23Å; G244-A247 VanDerWaalsContact O-N 3.16Å
248H58.9Low57.3Low175 Ų175149.5 Ų149.581%0.8174%0.736SS**THydrogen-bonded Turntrans-81.7-12.8-175.6-106.9-74.8000115.9G244G244-H248 PolarHBondContact O-N 2.99Å
249V62.4Low56.1Low113 Ų113144.4 Ų144.469%0.68573%0.731SS**THydrogen-bonded Turntrans-94.5-14.3-179.8-178.40000112.1L245L245-V249 WeakPolarHBondContact O-CG2 3.44Å
250G58.3Low54.8Low60 Ų60145.1 Ų145.162%0.61974%0.736SS**THydrogen-bonded Turntrans-75.2-22.2-17500000116.5
251N57.8Low54.2Low145 Ų145141.5 Ų141.578%0.77573%0.733SS**THydrogen-bonded Turntrans-102.817.3-166.8-77.817.5000115.4Y253N251-Y253 PolarHBondContact O-N 2.66Å
252R58.8Low53.7Low231 Ų231144.4 Ų144.487%0.87275%0.748SS**  trans-78.9108168.1-70.2-168.7-175.8-175.72109.5R254R252-R254 PolarHBondContact O-N 2.73Å
253Y48Very low52.9Low199 Ų199143 Ų14378%0.7875%0.75SS**  trans-49.8133.4-179.6-76.5-99.6000112.6N251 Y255N251-Y253 PolarHBondContact O-N 2.66Å; Y253-Y255 PolarHBondContact O-N 2.77Å
254R52.8Low51.8Low229 Ų229144.4 Ų144.486%0.86476%0.755SS**  trans-79.892160.1-76.8-171.8176.4-170.2-1.4109.2R252 T256R252-R254 PolarHBondContact O-N 2.73Å; R254-T256 PolarHBondContact O-N 3.37Å
255Y51.3Low50.9Low212 Ų212150.2 Ų150.283%0.83178%0.776SS**  trans-72.788.4154.1-77.4-79.8000108.6Y253Y253-Y255 PolarHBondContact O-N 2.77Å
256T55.7Low50Low112 Ų112148.8 Ų148.869%0.68777%0.774SS**  trans-118.387.7157.751.30000105.2R254R254-T256 PolarHBondContact O-N 3.37Å
257S48.6Very low49.2Very low103 Ų103145.9 Ų145.972%0.7277%0.773SS**  70.693.197.3-172.20000110.1S259S257-S259 PolarHBondContact O-N 3.01Å
258S43.1Very low48.5Very low128 Ų128148.7 Ų148.790%0.89578%0.779SS**  trans-63.3128.2174.9-53.30000110.2
259S47.8Very low48Very low91 Ų91146.6 Ų146.664%0.63677%0.774SS**  trans-148.3129.2168.6-50.60000109.6S257S257-S259 PolarHBondContact O-N 3.01Å
260D42.5Very low47.3Very low155 Ų155150.4 Ų150.483%0.82978%0.781SS**  trans5985.9150.4-46.7-31000119.1
261L43Very low46.8Very low159 Ų159156.8 Ų156.883%0.83279%0.792SS**  trans-144.846.6143.4-129.4157.6000112.5Q263L261-Q263 PolarHBondContact O-N 3.11Å
262L42.3Very low46.3Very low182 Ų182159 Ų15995%0.95380%0.795SS**  trans-76.4103.5160.4-80.8172.2000108.6
263Q41.6Very low45.8Very low177 Ų177153.7 Ų153.783%0.82779%0.788SS**  trans-95.9131.9167.2-158.9156.732.500109.2L261L261-Q263 PolarHBondContact O-N 3.11Å
264S36.4Very low45.6Very low103 Ų103152.8 Ų152.872%0.7279%0.788SS**  trans-62.2141.6-163.755.20000114.6
265N40.5Very low45.2Very low164 Ų164147 Ų14788%0.87778%0.778SS**  trans-119.9135.1145.5-150.65.6000108.2
266T37.7Very low45Very low112 Ų112144.3 Ų144.369%0.68777%0.773SS**  trans-95.1147.8-162.844.60000113.1
267N45.1Very low44.6Very low144 Ų144144.5 Ų144.577%0.7777%0.766SS**  trans-161.1127.8145.4-102-33.5000113.6
268N45.1Very low44.9Very low128 Ų128147.5 Ų147.568%0.68477%0.772SS**  trans69.2114.8145.1-61.2-25.7000123
269N48.6Very low44.9Very low132 Ų132150 Ų15071%0.70676%0.762SS**  78.186127.1-64.9-23.1000121.7
270K48.8Very low45.1Very low193 Ų193151.4 Ų151.484%0.83977%0.767SS**  172.1149.591-89.7152.7-175.6173.60113.9
271K46.8Very low45.7Very low194 Ų194152.6 Ų152.684%0.84377%0.765SS**  trans4.3139.9154.8-59.6173.6-178.8178.70117.6
272K48.2Very low45.9Very low192 Ų192154.4 Ų154.484%0.83577%0.766SS**  cis-159.416535.2-141.1175.5-178.1-174.40113.5
273T48.3Very low46.2Very low118 Ų118150.3 Ų150.372%0.72475%0.753SS**  trans-49.8162.717537.40000116.3
274F42.4Very low46.5Very low181 Ų181147.6 Ų147.679%0.79475%0.753SS**  cis-137.6-172.536.6-165-109.9000115.7
275V46Very low46.9Very low107 Ų107146.5 Ų146.565%0.64876%0.758SS**  trans-144.3133.4-160.6176.60000113.9
276H46.8Very low47Very low155 Ų155147.2 Ų147.272%0.71876%0.756SS**  trans-172.2151158.1-93.4-68.8000106.9
277E47.5Very low47.7Very low117 Ų117149 Ų14955%0.54777%0.767SS.*  cis63.9107.2-11-164.3161.6134.100121.7R279E277-R279 VanDerWaalsContact CD-NH1 3.28Å; E277-R279 HydrophobicContact CG-CB 3.85Å; E277-R279 WeakPolarHBondContact OE1-CD 3.47Å; E277-R279 IonicContact OE1-CZ 2.73Å; E277-R279 IonicContact OE1-NE 3.98Å; E277-R279 IonicContact OE1-NH1 3.87Å; E277-R279 PolarHBondContact OE1-NH1 3.48Å; E277-R279 VanDerWaalsContact OE2-CD 3.32Å; E277-R279 WeakPolarHBondContact OE2-CD 3.42Å; E277-R279 IonicContact OE2-CZ 2.78Å; E277-R279 IonicContact OE2-NE 3.74Å; E277-R279 IonicContact OE2-NH1 3.56Å; E277-R279 PolarHBondContact OE2-NH1 3.35Å
278I55.2Low47.7Very low166 Ų166149.3 Ų149.385%0.85177%0.768SS**  trans-129.3145.1132.2-78.8-178.1000107.7
279R41.5Very low47.5Very low180 Ų180147.7 Ų147.768%0.67977%0.767SS**  trans-166121.6-153.2166.4-166-176.3-171.99.1114.4E277E277-R279 VanDerWaalsContact CD-NH1 3.28Å; E277-R279 HydrophobicContact CG-CB 3.85Å; E277-R279 WeakPolarHBondContact OE1-CD 3.47Å; E277-R279 IonicContact OE1-CZ 2.73Å; E277-R279 IonicContact OE1-NE 3.98Å; E277-R279 IonicContact OE1-NH1 3.87Å; E277-R279 PolarHBondContact OE1-NH1 3.48Å; E277-R279 VanDerWaalsContact OE2-CD 3.32Å; E277-R279 WeakPolarHBondContact OE2-CD 3.42Å; E277-R279 IonicContact OE2-CZ 2.78Å; E277-R279 IonicContact OE2-NE 3.74Å; E277-R279 IonicContact OE2-NH1 3.56Å; E277-R279 PolarHBondContact OE2-NH1 3.35Å
280T53.5Low47.2Very low121 Ų121152.6 Ų152.674%0.74278%0.776SS**  trans-169.1154.3165.236.40000111.5
281K55Low46.9Very low180 Ų180155.3 Ų155.378%0.78378%0.781SS**  cis-172.8138.2-24.3-111.6172.6-168.6168.60107.3
282K45.8Very low47Very low197 Ų197152.1 Ų152.186%0.85778%0.783SS**  trans47.4158.6144.8-77.6-167.6176.3-174.20121.3
283S48.9Very low46.8Very low96 Ų96148.5 Ų148.567%0.67178%0.782SS**  cis179156.8-15.150.90000108.5
284S47.5Very low46.7Very low119 Ų119155 Ų15583%0.83279%0.793SS**  cis-178.9149.7-17.151.60000108.9
285G45.8Very low46.9Very low80 Ų80151.8 Ų151.883%0.82579%0.793SS**  trans-139.7150176.100000113.1
286Q43.2Very low46.8Very low180 Ų180156.1 Ų156.184%0.84180%0.803SS**  trans-105.8150.3-167.9-64179.7-11.100114.3
287T50.8Low46.9Very low148 Ų148154.7 Ų154.791%0.90881%0.807SS**  trans-163.5151133.47.50000112.3
288N45.5Very low47Very low151 Ų151158.8 Ų158.881%0.80782%0.823SS**  trans-107.4171.1178.7-82.3-57.1000109.9
289S41.3Very low46.3Very low95 Ų95157.7 Ų157.766%0.66482%0.819SS**  cis-174.4172.9-28.2-173.90000108.5
290R42.4Very low46.8Very low235 Ų235158.7 Ų158.789%0.88783%0.829SS**  trans65.6114.8164.7-74.2179173.9-179.5-2.4121
291R43.2Very low46.4Very low250 Ų250159.5 Ų159.594%0.94383%0.829SS**  trans-32.3149.6152-70.1172.7166.2175.5-4.4115.3
292S48.2Very low46.1Very low126 Ų126156.9 Ų156.988%0.88183%0.832SS**  trans-125.5144.4152.3179.50000110.3
293S43.9Very low45.9Very low116 Ų116155.4 Ų155.481%0.81183%0.833SS**  trans-120.6119.1-179.753.90000110.6
294R46.7Very low46.1Very low256 Ų256155.4 Ų155.497%0.96684%0.839SS**  trans-91.3125.9-166.4-166.2177.9-171.6177.23.7112.8
295S46.4Very low46.2Very low113 Ų113155.8 Ų155.879%0.7984%0.839SS**  trans-99.9177.3173.155.10000112.4
296K43.7Very low46.1Very low198 Ų198159.7 Ų159.786%0.86184%0.84SS**  trans-76149.1-166-60.5173.5-178.2173.80113.7
297P48.7Very low46.2Very low124 Ų124158.2 Ų158.281%0.80584%0.839SS**  trans-78.8163.2166.334.8-35.2000112.7
298K49.3Very low45.6Very low203 Ų203157.1 Ų157.188%0.88383%0.827SS**  trans-126.8154.1160.3-86.8-173.7172.4-175.90108.4
299N41.6Very low45.6Very low144 Ų144158.4 Ų158.477%0.7783%0.826SS**  trans-66.9153.8176.1-70.29.9000112.3
300F51.4Low45.7Very low201 Ų201161 Ų16188%0.88283%0.827SS**  trans-125.1137.7146.9-96.4-92.3000107.1
301D44.6Very low45.6Very low138 Ų138158 Ų15874%0.73882%0.823SS**  trans-87.8146.9171-62.8-62.9000109.8
302C49.3Very low45.7Very low125 Ų125151.8 Ų151.885%0.84582%0.815SS**  trans-130.6112.6172.1-63.40000109.1
303N40.9Very low45.1Very low165 Ų165150.4 Ų150.488%0.88281%0.806SS**  trans-115.8125.3168.6-74.6-46.6000108.3
304A54.1Low45Very low96 Ų96151.2 Ų151.279%0.79380%0.799SS**  trans-145.2134.7164.200000107.5
305P49.7Very low44.7Very low128 Ų128147.8 Ų147.883%0.83179%0.792SS**  trans-97.1137179.435.2-30.3000111.8
306D42.8Very low44.5Very low161 Ų161147.8 Ų147.886%0.86179%0.787SS**  trans-106139163.5-71.6-52.3000109.6
307N45.3Very low44.4Very low150 Ų150144.8 Ų144.880%0.80278%0.781SS**  trans-156.1129.9162.8-94.6-10.1000107.6
308D39Very low44.1Very low125 Ų125144.3 Ų144.367%0.66878%0.78SS**  trans41.6122.1153.3-44.9-40.2000119
309F44.6Very low44.1Very low177 Ų177140.3 Ų140.378%0.77678%0.775SS**  -168.9151.671-95.7-73.5000114.6
310H43.1Very low44.5Very low149 Ų149139 Ų13969%0.6977%0.774SS**  trans38.6123.1157-64-54.4000123.3
311H41.1Very low44.2Very low172 Ų172136.2 Ų136.280%0.79677%0.773SS**  24.5149.4119-69.4-86.2000121
312P44.7Very low44Very low120 Ų120136.9 Ų136.978%0.77978%0.777SS**  cis-139.8-174.730.243.3-25.4000117
313S36.8Very low43.7Very low98 Ų98135 Ų13569%0.68577%0.77SS**  trans-104.2166.4158.667.20000108.2
314I40.7Very low43.5Very low133 Ų133131.9 Ų131.968%0.68276%0.761SS**  cis-167.9140.348.3-127.8157.4000107.9
315F41Very low43Very low184 Ų184134.1 Ų134.181%0.80776%0.759SS**  trans60.5159.8160.5-69-133.1000117.2
316T42.7Very low42.7Very low113 Ų113135.3 Ų135.369%0.69376%0.757SS**  cis-136151.311.735.90000113.6
317N42Very low42.5Very low135 Ų135132.6 Ų132.672%0.72275%0.751SS**  trans39.1116.1138.7-55.3-12.3000123.3
318S41.7Very low42.2Very low113 Ų113129.9 Ų129.979%0.7974%0.743SS**  84.2151.4126.6-60.90000120.8
319P48.8Very low42.3Very low120 Ų120129.1 Ų129.178%0.77974%0.743SS**  trans-132.6-149.8-142.546.6-25.8000113.2
320P49.3Very low42.2Very low117 Ų117129.5 Ų129.576%0.7675%0.747SS**  -124.7169.4-116.534-12.2000115.9
321V45.1Very low41.9Very low141 Ų141127.7 Ų127.786%0.85575%0.751SS**  trans-140.6153.9168.9-172.80000110.9
322D41.2Very low41.9Very low152 Ų152126.8 Ų126.881%0.81376%0.757SS**  trans-70.6-169.3-164-57.8-84.6000119.2
323A42.2Very low41.7Very low85 Ų85126.7 Ų126.770%0.70276%0.76SS**  trans83.310316300000116.3
324S38.1Very low41.9Very low100 Ų100125 Ų12570%0.69976%0.758SS**  68.6127.77878.40000113.3
325L43.3Very low42.1Very low143 Ų143124.6 Ų124.675%0.74977%0.767SS**  179.6163.874-97.3167.9000111.1
326I43.6Very low42.2Very low153 Ų153120.8 Ų120.879%0.78576%0.763SS**  trans66.6151.7146.3-73.1163.2000118.2
327S38.6Very low42.2Very low104 Ų104121.3 Ų121.373%0.72777%0.766SS**  cis-173.2-167.3-30.5-165.60000108.5
328S39.3Very low42.6Very low93 Ų93124.2 Ų124.265%0.6577%0.772SS**  trans74.9110.4174.5-1580000115.3
329T40.4Very low42.7Very low109 Ų109126 Ų12667%0.66977%0.773SS**  cis76.2117.14276.40000116.1
330H43.3Very low42.2Very low185 Ų185125.1 Ų125.186%0.85677%0.77SS**  -165.2158.9123.9-104.9-70.2000110.7
331S36.4Very low42Very low111 Ų111128.2 Ų128.278%0.77677%0.774SS**  trans-144139.8-171.2-46.40000111.4
332V41.8Very low41.7Very low153 Ų153126.8 Ų126.893%0.92777%0.77SS**  trans-142.5154.5166.8-1740000109.6
333S40.2Very low41.8Very low118 Ų118128.6 Ų128.683%0.82577%0.771SS**  trans-120.3173.4-162.756.60000114.3
334G41.2Very low41.8Very low63 Ų63136.3 Ų136.365%0.64978%0.782SS**  trans163.289.2156.100000121.6
335S44.9Very low41.9Very low125 Ų125139 Ų13987%0.87479%0.788SS**  trans66.6167.5150.684.10000119.2
336S42.4Very low41.8Very low104 Ų104143.7 Ų143.773%0.72780%0.796SS**  cis-154.1128-0.4-154.70000115.9
337V43.3Very low41.5Very low124 Ų124141.8 Ų141.875%0.75280%0.796SS**  trans17.6127.6147.7-157.90000124.3
338K49.7Very low41.6Very low195 Ų195143.9 Ų143.985%0.84881%0.805SS**  160.4117.7126.9-86.7170.7-173.4177.50111.3
339N42.7Very low41.6Very low151 Ų151147.9 Ų147.981%0.80781%0.81SS**  58.3134.682.2-100.6-2.7000115.5
340S39.7Very low41.6Very low102 Ų102149 Ų14971%0.71381%0.812SS**  cis-155.2176.616.4-83.10000115.5
341Q44.3Very low41.3Very low182 Ų182145.1 Ų145.185%0.8581%0.805SS**  trans-44.8175174.3-50.7-179.37.200117.4
342S39.7Very low41.2Very low110 Ų110150 Ų15077%0.76981%0.808SS**  cis-164.5-171.635.8-158.20000116.7
343K43Very low41.2Very low191 Ų191149.5 Ų149.583%0.8380%0.8SS**  trans-115.5161.8-168.1-53164.6178.6170.30113.5
344R42.8Very low41Very low247 Ų247151.2 Ų151.293%0.93279%0.794SS**  -174.6161.1124.1-104.9163.6-176.1163.52.5115.6
345N38.8Very low40.6Very low156 Ų156153 Ų15383%0.83480%0.797SS**  trans-128.4150.7179-70.9-28.2000110.8
346R41.3Very low40.4Very low242 Ų242154.7 Ų154.791%0.91380%0.796SS**  trans165138.5146-92.5160.5-176.1-168.40.2107.6
347S36.8Very low40.2Very low113 Ų113152.8 Ų152.879%0.7979%0.793SS**  cis84.7104.923.9-160.70000114.9
348T41.7Very low40.2Very low147 Ų147153.9 Ų153.990%0.90279%0.794SS**  trans-153.4172.8174.82.90000108.9
349K39.6Very low39.9Very low178 Ų178151.3 Ų151.377%0.77479%0.79SS**  trans-160.5156.5-166.7-167.3-167.7167.1-168.10112.1
350L39.2Very low40.1Very low133 Ų133153.3 Ų153.370%0.69679%0.794SS**  trans72.8159.5170.7-68.1129.9000115.3
351S36.8Very low40.2Very low103 Ų103153.2 Ų153.272%0.7279%0.794SS**  cis-151.5155.33.316.60000114.3
352Y35.5Very low39.9Very low213 Ų213151.9 Ų151.984%0.83579%0.789SS**  trans-12.4143.2148.2-78.2-102.8000119.8
353L40.5Very low40.1Very low143 Ų143154 Ų15475%0.74979%0.791SS**  -175.7127.7112.6-89.7164.8000107.3
354Q36.5Very low39.9Very low153 Ų153150.7 Ų150.772%0.71579%0.786SS**  65.396.288-164171.2-26.300111.6
355S34.3Very low39.7Very low101 Ų101145 Ų14571%0.70678%0.783SS**  86.5156.380.2-62.10000113
356D39.5Very low39.5Very low161 Ų161143 Ų14386%0.86178%0.781SS**  trans92.3138.2-176.1-51.3-18.1000114
357G37.9Very low39.4Very low63 Ų63137.4 Ų137.465%0.64978%0.776SS**  cis13092-3.700000112.8
358N44.3Very low39.3Very low147 Ų147137.3 Ų137.379%0.78678%0.776SS**  trans-172.4135.7162.7-89.5-40.7000105.9
359N42.9Very low39.3Very low141 Ų141135.8 Ų135.875%0.75477%0.768SS**  cis111.5150.432.5-81.7-25.1000109.5
360E47.4Very low39.1Very low193 Ų193134.3 Ų134.390%0.90277%0.767SS**  trans78.6141.5-171.6-57.2-162.2136.400117
361S40.4Very low39Very low101 Ų101136 Ų13671%0.70677%0.771SS**  cis-158.8179.8-25.9-160.20000110.7
362M39.1Very low39.3Very low153 Ų153137 Ų13775%0.75478%0.776SS**  trans-54.5146.8173.7-62.4167.8-76.400111.6
363I42.9Very low39.6Very low156 Ų156137.4 Ų137.480%0.878%0.776SS**  -163114.885.7-83.8149.6000106.8
364V39.4Very low39.6Very low120 Ų120135.9 Ų135.973%0.72777%0.765SS**  5091.988.5-173.40000114.5
365C37.9Very low39.7Very low128 Ų128137.8 Ų137.887%0.86577%0.765SS**  -166.1153.5129.8-114.50000112
366S36Very low40.1Very low113 Ų113139.7 Ų139.779%0.7977%0.767SS**  trans-98.7170.7-172.8-54.40000111.7
367P39.8Very low40.2Very low125 Ų125140.4 Ų140.481%0.81276%0.762SS**  trans-85.6161.2-160.335.1-36.5000114.4
368S32.9Very low40.4Very low112 Ų112144.7 Ų144.778%0.78377%0.766SS**  trans-139.8142162.8-730000110.7
369P43Very low40.4Very low115 Ų115146.4 Ų146.475%0.74777%0.766SS**  trans-82.2-152.816937.4-36.1000110.5
370I35.6Very low40.4Very low147 Ų147144.4 Ų144.475%0.75476%0.763SS**  trans93.7138.8-179.9-56.9163000113.2
371Q35.6Very low39.9Very low168 Ų168143.9 Ų143.979%0.78576%0.761SS**  cis-159.7160.7-27.1-105.2-175.70.300107.6
372P44.9Very low39.7Very low125 Ų125145 Ų14581%0.81277%0.767SS**  trans-78.7156.5166.834.5-34.7000112.5
373R41.1Very low39.6Very low220 Ų220142.3 Ų142.383%0.8376%0.763SS**  trans-155.6138.3-178.4-169.8172.9179.8171.13.5107.1
374E41.1Very low39.6Very low111 Ų111142.2 Ų142.252%0.51976%0.761SS.*  cis-145.6164.85.2-135.1172.7-117.300105.8
375R38.3Very low39.6Very low193 Ų193143.7 Ų143.773%0.72876%0.76SS**  cis-153.6161.124.9-99.4177.6-165.1-178.13.6110.8
376L42.8Very low39.6Very low141 Ų141142.7 Ų142.774%0.73875%0.754SS**  trans42.4138.2136.9-53.4169.9000119.8
377K41.3Very low39.7Very low176 Ų176143.9 Ų143.977%0.76575%0.752SS**  cis-159.4116.814.1-153.5163.3-179.4179.40106.8
378E41.4Very low39.7Very low154 Ų154145.8 Ų145.872%0.7276%0.756SS**  85.913767.5-172.9-175.5-112.900113.8
379K44.9Very low40.2Very low183 Ų183147.8 Ų147.880%0.79676%0.756SS**  trans93.7110.4-173.5-61.7-168174.4-169.60115.4
380S42.8Very low39.8Very low99 Ų99151.6 Ų151.669%0.69276%0.764SS**  81.513850.8760000112.7
381E36.4Very low40Very low182 Ų182150.3 Ų150.385%0.8577%0.766SS**  cis-175.6-176.9-19.8-129.6171.7176.100106.8
382C37Very low40.1Very low123 Ų123151.6 Ų151.683%0.83177%0.772SS**  trans67142.5-175.9-70.90000115
383S36.1Very low39.8Very low98 Ų98149.3 Ų149.369%0.68577%0.772SS**  cis110.8154.819.8-169.90000111.2
384M42.8Very low39.7Very low154 Ų154146.5 Ų146.576%0.75977%0.771SS**  trans67.9147.2-168.2-36.6-55.3-84.300113
385E40.3Very low39.7Very low151 Ų151148.6 Ų148.671%0.70678%0.784SS**  cis169.5138-25.3173.5164.3175.400103.5
386S37.1Very low39.8Very low106 Ų106147.3 Ų147.374%0.74179%0.787SS**  trans-86.1130.6-171.651.20000112.3
387N39.5Very low39.4Very low138 Ų138147.9 Ų147.974%0.73879%0.79SS**  trans-137.5116.6159-82.5-69000109.7
388D38.8Very low39.2Very low166 Ų166148.9 Ų148.989%0.88880%0.795SS**  trans-78.3118.9165.8-65.1-61.6000108.7
389I42.7Very low39Very low153 Ų153147.2 Ų147.279%0.78580%0.796SS**  trans-130.1113.7161.6-62.6-175.8000108.6
390E36.2Very low38.8Very low196 Ų196143.8 Ų143.892%0.91680%0.795SS**  trans-74.1127.6170.5176177.7-126.800109.8
391C39.5Very low38.5Very low119 Ų119146.3 Ų146.380%0.80480%0.8SS**  trans-157.6135165.3-163.70000111.2
392E37.2Very low38.7Very low195 Ų195145.9 Ų145.991%0.91180%0.803SS**  trans-71.6152.1172.6-62.5-171.212500111.7
393G39.3Very low38.7Very low78 Ų78144.3 Ų144.380%0.80479%0.793SS**  trans-159.295.618000000112.7
394I37.9Very low38.9Very low160 Ų160147.6 Ų147.682%0.82180%0.798SS**  trans-73.2138.2173.6-57.4163.5000109.1
395I42.6Very low38.7Very low155 Ų155147.4 Ų147.480%0.79580%0.799SS**  trans177.7122.6134.7-90.6152.6000113.9
396Q39.2Very low38.4Very low166 Ų166145.9 Ų145.978%0.77680%0.804SS**  trans1.3126152.8-54.1173.81.200122.5
397N35.3Very low38.8Very low153 Ų153146.4 Ų146.482%0.81880%0.804SS**  30.6119.6123.7-55.5-12.7000121.4
398K37.1Very low38.4Very low198 Ų198150 Ų15086%0.86181%0.814SS**  -172.6119.9108.3-106.4177.1178.9178.40116.7
399T37Very low38.5Very low119 Ų119147.7 Ų147.773%0.7381%0.808SS**  trans5.8122142.255.40000121.9
400S39.7Very low38.3Very low111 Ų111147.8 Ų147.878%0.77681%0.809SS**  -173.9114.9116.939.70000109
401D36.6Very low38.4Very low151 Ų151144.5 Ų144.581%0.80780%0.798SS**  72.8102.880.7-73.8-40.5000115.2
402L41.6Very low38.2Very low174 Ų174145.3 Ų145.391%0.91179%0.794SS**  -164.5164.8119.6-102.8167.4000110.9
403S36.7Very low38.2Very low90 Ų90141.1 Ų141.163%0.62978%0.782SS**  trans-128.2-172.2-145.949.40000115.6
404E39.5Very low38.2Very low167 Ų167144 Ų14478%0.7878%0.779SS**  trans81.8135.1162.7-68.3178.9-136.600118.1
405L38.8Very low38.2Very low150 Ų150142.5 Ų142.579%0.78577%0.772SS**  cis-135.9154.5-1.5-76.8105.8000112.9
406C34.9Very low37.9Very low118 Ų118141.9 Ų141.980%0.79777%0.771SS**  trans-121.8-152.4163.7-56.80000107.9
407P45.1Very low37.8Very low117 Ų117140 Ų14076%0.7678%0.776SS**  cis-134-172.6-22.238.3-19.1000114.3
408F31.8Very low37.8Very low213 Ų213140.3 Ų140.393%0.93478%0.776SS**  trans-101.1151.3153.2-79.5-99.5000109.7
409P40.6Very low37.9Very low118 Ų118136.4 Ų136.477%0.76677%0.771SS**  trans-118.6149.3173.338.7-28.8000115.1
410L38.6Very low37.8Very low155 Ų155135.5 Ų135.581%0.81277%0.769SS**  trans-150.9136.3158.7-87.1174.2000111.1
411D36.7Very low37.7Very low128 Ų128136.2 Ų136.268%0.68477%0.774SS**  trans66.8125.3143.7-51.4-13.7000125.3
412D37.2Very low37.7Very low135 Ų135132.3 Ų132.372%0.72277%0.769SS**  90.6102.5127.6-70.9-5000127.9
413T36.4Very low37.5Very low108 Ų108134.1 Ų134.166%0.66377%0.77SS**  77.9124.1123.961.40000126
414L39.4Very low37.3Very low139 Ų139134.1 Ų134.173%0.72877%0.77SS**  trans60.2126.5130.1-61.8170.8000123.3
415N37.6Very low37.1Very low128 Ų128135.6 Ų135.668%0.68477%0.774SS**  -179.5144.6103.8-98.7-46.8000117.5
416N36.1Very low37.2Very low142 Ų142138.6 Ų138.676%0.75978%0.776SS**  trans43.9127145.4-59.9-23.6000124.9
417S36.4Very low37.7Very low127 Ų127138.4 Ų138.489%0.88877%0.773SS**  -177.7168.9105.738.80000113.2
418I36.8Very low37.4Very low159 Ų159136.8 Ų136.882%0.81577%0.77SS**  trans-129158.1-172-27.2176000109.8
419P38Very low37.7Very low116 Ų116133.7 Ų133.775%0.75376%0.763SS**  -156.1135.8105.137.3-17.3000119.4
420S35.4Very low37.8Very low100 Ų100134.4 Ų134.470%0.69976%0.76SS**  trans39.2140.7137.666.80000127.1
421S38.2Very low37.8Very low126 Ų126131.3 Ų131.388%0.88174%0.741SS**  trans84.6143.5146.879.20000120.2
422G37.1Very low37.9Very low68 Ų68131.1 Ų131.170%0.70174%0.74SS**  cis164.7153.9-1500000115.7
423K35.5Very low38Very low213 Ų213128.4 Ų128.493%0.92673%0.732SS**  trans70152.6171.1-63.6177.2-178.9175.60116.5
424S33.7Very low38.1Very low89 Ų89130.2 Ų130.262%0.62273%0.733SS**  cis-173.5168.1-14.346.50000112.4
425F35.3Very low38.2Very low198 Ų198132.1 Ų132.187%0.86874%0.736SS**  trans109.8135.7161-74.1-80.4000121.2
426Y40Very low38.1Very low213 Ų213130.8 Ų130.884%0.83573%0.732SS**  trans-133.8179.3174.3-105.4-73.4000106.2
427P46.3Very low38.2Very low114 Ų114130.7 Ų130.774%0.7473%0.732SS**  cis-131.2178.238.116.612.5000114.5
428A38.5Very low38.2Very low83 Ų83129.2 Ų129.269%0.68672%0.721SS**  cis73.5149.24400000114.4
429D37.1Very low38.1Very low148 Ų148127.7 Ų127.779%0.79172%0.719SS**  cis-155.4-157.211.6-136.6-42.8000108.8
430L42.8Very low38Very low133 Ų133127.4 Ų127.470%0.69672%0.719SS**  cis-169.7176.16.2-131.9-176.2000111.3
431E40Very low37.9Very low90 Ų90127.5 Ų127.542%0.42172%0.718SS.*  trans74.8151.2151.1-77.3-154.2-132.500123.1K1122E431-K1122 WeakPolarHBondContact OE2-CE 3.47Å; E431-K1122 IonicContact OE2-NZ 2.66Å; E431-K1122 PolarHBondContact OE2-NZ 2.89Å
432N39.1Very low37.7Very low124 Ų124129 Ų12966%0.66372%0.716SS**  cis-171.4-175.5-18.9-124.5-26.4000108.2
433S37.8Very low37.6Very low79 Ų79129.8 Ų129.855%0.55271%0.71SS**  cis-161.8-154.5-1242.90000107.4
434E39.5Very low37.6Very low145 Ų145125 Ų12568%0.67870%0.695SS**  cis-171.9-174.13.2-140.5155.8103.500112.6
435F41.1Very low37.8Very low180 Ų180130.6 Ų130.679%0.78970%0.702SS**  trans82.4163.2163-89.4-81000125.1
436T36.2Very low37.8Very low100 Ų100127.1 Ų127.161%0.61369%0.693SS**  trans-146.3-176.9-137.2490000118.6
437D37.6Very low37.7Very low139 Ų139125.6 Ų125.674%0.74369%0.686SS**  trans85.1153.1151.8-64.8-51.8000122.2
438S36Very low37.5Very low96 Ų96125.1 Ų125.167%0.67168%0.677SS**  cis-172.5171.6-21.258.20000115.6
439V35.2Very low37.5Very low127 Ų127125.9 Ų125.977%0.7767%0.669SS**  trans64.4150156.2-1120000127.2
440C34.9Very low37.5Very low110 Ų110128.7 Ų128.774%0.74367%0.669SS**  trans81.9148.3143.9-790000122.4
441C33.7Very low37.1Very low102 Ų102126.5 Ų126.569%0.68967%0.665SS**  cis-176158.7-29.3-122.50000112.7
442L33.7Very low36.9Very low159 Ų159129.5 Ų129.583%0.83268%0.683SS**  trans66.4157.8154.7-62.2165.3000118
443S35.7Very low36.5Very low84 Ų84128 Ų12859%0.58768%0.682SS**  cis-160.2159.4-0.7-130.70000115.9
444D34.9Very low36.4Very low112 Ų112132.3 Ų132.360%0.59970%0.698SS**  trans71.1136.6139.1-85.7-89.2000125.7
445R38.5Very low36.2Very low206 Ų206130.7 Ų130.778%0.77770%0.703SS**  trans71.9149140.1-71.3166.1-167.2-144.6-4118.9
446N35.2Very low36.3Very low125 Ų125128.1 Ų128.167%0.66870%0.704SS**  cis-170.4165.4-11.4-114.97.9000106.4
447R38.3Very low36.2Very low182 Ų182127.1 Ų127.169%0.68771%0.706SS**  cis-173.6163.8-19.9-131.9-178.9111.3170.13.1106.4
448D40.8Very low36.2Very low104 Ų104130.9 Ų130.956%0.55671%0.712SS**  trans62.4147.2151.9-55-19000117.4
449D38.7Very low36.3Very low99 Ų99133.3 Ų133.353%0.52972%0.717SS.*  cis-161.5160.4-9.5-127.9-26.8000112.4
450R37.3Very low36.3Very low206 Ų206130.4 Ų130.478%0.77771%0.713SS**  trans64150.8145.8-71.2167.5-141.4-141.12.6121
451S34.5Very low36.8Very low88 Ų88130.5 Ų130.562%0.61571%0.712SS**  cis-174.9163.9-1650.60000112.7
452L36.5Very low37Very low152 Ų152133.1 Ų133.180%0.79672%0.718SS**  trans72.7124.2165.3-44-177.4000115
453S29.9Very low37.3Very low93 Ų93132 Ų13265%0.6572%0.717SS**  cis79113.618.593.60000117.2
454L35.5Very low37.2Very low170 Ų170131.9 Ų131.989%0.8972%0.717SS**  179.5144.2110.8-94.5163.4000112.4
455S35Very low37.6Very low111 Ų111132.5 Ų132.578%0.77673%0.727SS**  trans-89.7156.3171.9-42.30000111.2
456P44.1Very low37.3Very low125 Ų125127.1 Ų127.181%0.81272%0.721SS**  -150.1-178.311035.2-17.3000113.6
457A33.6Very low37.2Very low80 Ų80126 Ų12666%0.66172%0.723SS**  cis-175.5151.8-39.500000109.3
458Y37.2Very low37.1Very low218 Ų218124 Ų12486%0.85573%0.73SS**  trans67155.1162.3-74.4-149.5000115.6
459N39.2Very low36.8Very low146 Ų146121.9 Ų121.978%0.78173%0.734SS**  cis-140.5164.86.1-116.1-28.3000111.2
460G34.8Very low36.5Very low66 Ų66124.4 Ų124.468%0.6875%0.747SS**  trans-87-147.6177.400000114.3
461P45.2Very low36.4Very low112 Ų112118.8 Ų118.873%0.72774%0.739SS**  cis-143.2163.59.943.2-25.4000118.4
462L38.4Very low36.3Very low158 Ų158121.1 Ų121.183%0.82775%0.745SS**  trans58.6158.1145.4-65.2165.5000119.4
463V39.8Very low36.3Very low134 Ų134124 Ų12481%0.81275%0.751SS**  cis-130.8150.915.31790000111
464S34.6Very low36.3Very low83 Ų83123 Ų12358%0.5876%0.756SS**  trans-88.8172.1-179.5-47.40000114.2
465P42.7Very low36.2Very low124 Ų124123.1 Ų123.181%0.80576%0.756SS**  -130.1143.393.835.9-27.7000112.5
466S31.9Very low36.1Very low93 Ų93127.4 Ų127.465%0.6576%0.761SS**  cis66125.31983.30000116.6
467S33.3Very low35.5Very low101 Ų101128.6 Ų128.671%0.70676%0.76SS**  cis-179.1166.6-2.2430000110.8
468V36.8Very low35.3Very low140 Ų140130.5 Ų130.585%0.84877%0.767SS**  trans70.8133.8167.1-164.30000115
469G33.7Very low35Very low61 Ų61127.1 Ų127.163%0.62976%0.764SS**  cis166176.4-7.300000113
470D32.5Very low34.8Very low152 Ų152129.4 Ų129.481%0.81377%0.767SS**  trans33.8135.5149-68-47.1000122.3
471S36.3Very low34.6Very low87 Ų87132.9 Ų132.961%0.60878%0.775SS**  cis-171.1156.3-2.355.40000114.3
472N32.6Very low34.2Very low138 Ų138135.4 Ų135.474%0.73878%0.781SS**  trans59138140.3-69.2-36.8000122.5
473K36.3Very low33.7Very low212 Ų212136.1 Ų136.192%0.92278%0.78SS**  trans75.8123.2165.3-50.5167.1-166.8175.70115.7
474G29.5Very low33.5Very low73 Ų73135.5 Ų135.575%0.75378%0.782SS**  cis12978.6-10.100000115.2
475L33.1Very low33.5Very low171 Ų171139.5 Ų139.590%0.89579%0.791SS**  trans-138.9114162.8-66173.5000105.9
476K31.8Very low32.9Very low201 Ų201141.7 Ų141.787%0.87479%0.791SS**  63.4123.764.2-87.9-164.9173.1-175.10115.6
477L32.1Very low33.1Very low151 Ų151144.1 Ų144.179%0.79180%0.796SS**  trans-40.5149.7-178.5-76.957.2000116
478C29.6Very low32.9Very low119 Ų119147.3 Ų147.380%0.80480%0.797SS**  trans-141.741160.7-88.50000112.1K480C478-K480 PolarHBondContact O-N 3.42Å
479D32Very low32.6Very low148 Ų148147.3 Ų147.379%0.79179%0.791SS**  trans-70.2115.8166.7-80.2-51.5000109.9T481D479-T481 PolarHBondContact O-N 3.46Å
480K34.9Very low32.4Very low194 Ų194149.6 Ų149.684%0.84379%0.793SS**  trans-88.989.7-175.9-65.8-178.8179.5-178.10110.6C478 L482C478-K480 PolarHBondContact O-N 3.42Å; K480-L482 PolarHBondContact O-N 3.16Å
481T29.8Very low32.3Very low139 Ų139149.8 Ų149.885%0.85380%0.795SS**  trans-61.9116.2158.340.60000109.1D479D479-T481 PolarHBondContact O-N 3.46Å
482L36.3Very low32.2Very low164 Ų164151.4 Ų151.486%0.85981%0.806SS**  trans-104.7134.1165.9-108.5169.3000109.2K480K480-L482 PolarHBondContact O-N 3.16Å
483E28.8Very low32.6Very low173 Ų173150.2 Ų150.281%0.80881%0.806SS**  trans-63.1148.7-176.4-58.8-92.8101.900111.9
484S34.4Very low32.5Very low122 Ų122147.6 Ų147.685%0.85380%0.802SS**  trans-155.176.5163.6-75.20000110.6
485E35.8Very low32.8Very low166 Ų166152.5 Ų152.578%0.77681%0.807SS**  trans27.1117.4157.5-56-164.5127.800120.9L487E485-L487 PolarHBondContact O-N 3.31Å
486E30.1Very low33Very low171 Ų171153.8 Ų153.880%0.79981%0.805SS**  trans-67100.6158-178.8-168.3156.300110.3
487L34.8Very low33.2Very low143 Ų143150 Ų15075%0.74980%0.801SS**  trans-104.1133.4173.4-93.6172.7000113.6E485 L489E485-L487 PolarHBondContact O-N 3.31Å; L487-L489 HydrophobicContact CD2-CD1 4.37Å
488K29.1Very low33.6Very low168 Ų168149.4 Ų149.473%0.7381%0.805SS**  trans-142.576.5-157.7-179.5-174.6176.6175.60111.4
489L31.5Very low34Very low140 Ų140152.6 Ų152.673%0.73381%0.807SS**  trans-139.4132.8171.7-78.6100.5000107.8L487L487-L489 HydrophobicContact CD2-CD1 4.37Å
490T28.8Very low34.3Very low109 Ų109150.1 Ų150.167%0.66981%0.807SS**  55.69056.772.40000111.6
491D31.1Very low34.4Very low157 Ų157152.7 Ų152.784%0.8481%0.812SS**  -164.716982.2-102.8-29.8000114.5
492S34.9Very low34.7Very low121 Ų121157.5 Ų157.585%0.84681%0.814SS**  trans-130.4102.6174.6-69.30000112.3
493P39.6Very low34.9Very low113 Ų113158 Ų15873%0.73482%0.817SS**  trans-97.8149175.934.7-31.5000114.3
494N33.8Very low35.1Very low157 Ų157155.4 Ų155.484%0.8482%0.818SS**  trans62.184.5160.1-71.4-33000120.3
495M35.8Very low35.7Very low176 Ų176157.6 Ų157.687%0.86782%0.819SS**  trans-35135.2137.8-62.2-9390.100113.3P497M495-P497 WeakPolarHBondContact O-CD 3.49Å
496K37.2Very low35.8Very low197 Ų197156.3 Ų156.386%0.85782%0.818SS**  trans-90.5116.7163.4-76.3-178.6177.8174.60110.7T498K496-T498 PolarHBondContact O-N 2.93Å
497P36.5Very low36.5Very low121 Ų121153.9 Ų153.979%0.78682%0.819SS**  trans-82.7115.6175.531.5-32.1000111.2M495M495-P497 WeakPolarHBondContact O-CD 3.49Å
498T41.8Very low36.6Very low140 Ų140155.4 Ų155.486%0.85982%0.82SS**  trans-78.8134.9179.8-50.50000111.2K496 A500K496-T498 PolarHBondContact O-N 2.93Å; T498-A500 PolarHBondContact O-N 2.94Å
499H36.7Very low37.3Very low186 Ų186155.5 Ų155.586%0.86183%0.827SS**  trans-60120.4-168.7-75.6-90.9000115.5
500A38.2Very low37.7Very low96 Ų96154.9 Ų154.979%0.79383%0.829SS**  trans-99.490.2162.400000111T498 R502T498-A500 PolarHBondContact O-N 2.94Å; A500-R502 PolarHBondContact O-N 2.92Å; A500-R502 VanDerWaalsContact O-N 3.09Å
501R37.5Very low38.2Very low248 Ų248155.2 Ų155.294%0.93684%0.836SS**  trans-62.7110.4169.8-89.7-176.4171.7167.8-2.3109.9
502R35.7Very low38.8Very low240 Ų240153.4 Ų153.491%0.90683%0.833SS**  trans-125.9117.8167.7-147.6175.1-170.7-175.61.3109.2A500 S504A500-R502 PolarHBondContact O-N 2.92Å; A500-R502 VanDerWaalsContact O-N 3.09Å; R502-S504 PolarHBondContact O-N 3.24Å
503L40.3Very low39Very low175 Ų175153.6 Ų153.692%0.91683%0.832SS**  trans-69.1128.3-179.4-63.4166.8000109.7
504S32.7Very low39.2Very low118 Ų118153.7 Ų153.783%0.82583%0.833SS**  trans-98.3145.9157.5-163.50000108.2R502R502-S504 PolarHBondContact O-N 3.24Å
505L48.8Very low39.4Very low167 Ų167153.2 Ų153.287%0.87483%0.831SS**  trans-123.2123.8176.2-108.4166.5000108.4
506D36.6Very low39.7Very low140 Ų140154.7 Ų154.775%0.74983%0.827SS**  trans-74.1144.8177.1-103.1-62.6000112.1
507S45Very low39.9Very low119 Ų119151.4 Ų151.483%0.83281%0.814SS**  trans-159.3114.9151.560.80000110.1
508K37.5Very low40.1Very low176 Ų176151.7 Ų151.777%0.76581%0.809SS**  trans-96.1149.3178.7-57.9172.7-176.8173.60110.9
509L42.6Very low40Very low169 Ų169149.6 Ų149.689%0.88580%0.8SS**  trans170.9110.2154.1-92.7152.8000105.5
510V41.1Very low40.2Very low127 Ų127146.8 Ų146.877%0.7780%0.796SS**  cis8194.849.6-177.90000113.9
511S39.5Very low40.5Very low116 Ų116146.4 Ų146.481%0.81179%0.788SS**  trans-174.8126.7145.657.80000111.2
512P42.5Very low40.8Very low119 Ų119142 Ų14277%0.77378%0.783SS**  trans-110.7164-179.740-33.3000114.7
513C39.7Very low41Very low125 Ų125135.2 Ų135.285%0.84577%0.772SS**  trans166.6163.8130.8-920000113.6
514P44.6Very low41.1Very low115 Ų115131.3 Ų131.375%0.74776%0.76SS**  trans-131.9152-151.641.9-26.1000119.6
515N38Very low41.6Very low148 Ų148137.1 Ų137.179%0.79176%0.763SS**  trans34121.2132.6-173.222.6000122.3
516R40.5Very low41.2Very low206 Ų206134.9 Ų134.978%0.77776%0.762SS**  -166.5134.6129.4-112.3-174.4-175-134.113.5114.1
517Q42Very low41.7Very low128 Ų128133 Ų13360%0.59877%0.766SS**  trans45.7149.8132.2-68.6172.7-26.600120.9
518N40.8Very low41.4Very low128 Ų128138.8 Ų138.868%0.68477%0.77SS**  cis-164.1155.89.9-128.99000111.7
519S40.3Very low41.9Very low96 Ų96135.4 Ų135.467%0.67177%0.765SS**  trans59.7168.2148-560000119.5
520T41.4Very low41.9Very low126 Ų126132.1 Ų132.177%0.77376%0.757SS**  cis-170.3157.4-31.332.60000106.7
521S43.9Very low41.9Very low88 Ų88137.8 Ų137.862%0.61576%0.764SS**  cis-176.2173-24.858.30000108.4
522N43.6Very low42Very low156 Ų156138.4 Ų138.483%0.83477%0.769SS**  trans66.5159.1163.3-67.2-12.9000117.6
523S40Very low42.1Very low98 Ų98137.6 Ų137.669%0.68577%0.766SS**  cis-162.6141.1-14.3164.90000112.8
524S41.3Very low42.1Very low93 Ų93139.1 Ų139.165%0.6577%0.765SS**  trans53.6121.3142.5-54.50000125.6
525R43.5Very low41.7Very low239 Ų239138.4 Ų138.490%0.90276%0.763SS**  79.9125.4122.9-72.4-179.9174.6-162.4-1.3123.2
526S41.2Very low41.9Very low121 Ų121137.7 Ų137.785%0.84676%0.764SS**  88.9105.4126.1-173.90000121.8
527A46.7Very low42Very low101 Ų101133.8 Ų133.884%0.83577%0.769SS**  -164.615812400000112.9
528R39.1Very low42.1Very low240 Ų240132.9 Ų132.991%0.90678%0.777SS**  trans-115174.9165-119.4-171.4170.3-177.1-2.7106.5
529P47.4Very low42.3Very low104 Ų104132.2 Ų132.268%0.67578%0.781SS**  cis-14517122.842.4-21.9000119.2
530S42Very low42.4Very low100 Ų100131.2 Ų131.270%0.69979%0.786SS**  trans53.6132.3139.763.90000125.3
531R42Very low43.1Very low247 Ų247129.8 Ų129.893%0.93278%0.781SS**  trans65.5103.8141.8-78.3-177163.9-175.6-4.9119.9
532S42Very low44Very low129 Ų129131.3 Ų131.390%0.90279%0.789SS**  -156.7170112.150.40000109.8
533S43.4Very low44.6Very low102 Ų102129.7 Ų129.771%0.71379%0.79SS**  trans-107.3137-169510000113
534N40Very low46.1Very low156 Ų156132.5 Ų132.583%0.83479%0.794SS**  -167.6159.4128.3-100.7-17.6000114.5
535S37.3Very low47.8Very low101 Ų101132.8 Ų132.871%0.70679%0.793SS**  trans-14.9121.1168.554.90000119.3
536T40.7Very low49.3Very low132 Ų132126.7 Ų126.781%0.8179%0.785SS**  -177.9114.2104.7420000110.6S538T536-S538 PolarHBondContact O-N 3.35Å
537S43.2Very low50.7Low124 Ų124127 Ų12787%0.86778%0.784SS**  trans-89.174.8176.9410000112C539S537-C539 PolarHBondContact O-N 2.78Å
538S43.8Very low51.9Low110 Ų110133 Ų13377%0.76979%0.785SS**  trans-68.195.8174.5580000111.4T536 G540T536-S538 PolarHBondContact O-N 3.35Å; S538-G540 PolarHBondContact O-N 2.96Å
539C44.6Very low53.5Low114 Ų114130.6 Ų130.677%0.7778%0.784SS**  trans-67.198.7174.2-1750000110.5S537 S541S537-C539 PolarHBondContact O-N 2.78Å; C539-S541 VanDerWaalsContact C-N 3.33Å; C539-S541 PolarHBondContact O-N 2.68Å
540G42.6Very low54.6Low75 Ų75131.6 Ų131.677%0.77379%0.788SS**  trans-66.686.4176.200000111.8S538S538-G540 PolarHBondContact O-N 2.96Å
541S56.5Low56.5Low96 Ų96135 Ų13567%0.67179%0.79SS**  trans-66.1131.3175.7-65.20000110.3C539 S543C539-S541 VanDerWaalsContact C-N 3.33Å; C539-S541 PolarHBondContact O-N 2.68Å; S541-S543 PolarHBondContact O-N 3.17Å
542P63.6Low58.5Low120 Ų120127.9 Ų127.978%0.77977%0.774SS**  trans-65.3124.718026.2-33.5000110.3M544P542-M544 PolarHBondContact O-N 3.26Å
543S56.3Low60.7Low122 Ų122126.4 Ų126.485%0.85376%0.756SS**  trans-62.1111.2179.4-172.50000110.4S541S541-S543 PolarHBondContact O-N 3.17Å
544M70.1Confident62.9Low157 Ų157124.7 Ų124.777%0.77375%0.748SS**PPolyproline II helixtrans-65.2131.8177.2-85.7-65.9-63.500110P542P542-M544 PolarHBondContact O-N 3.26Å
545P77.3Confident65.4Low99 Ų99119.8 Ų119.864%0.64373%0.729SS**PPolyproline II helixtrans-60.2142.7176.625.5-34.1000110.2
546P74.7Confident68.1Low111 Ų111120 Ų12072%0.72172%0.72SS**PPolyproline II helixtrans-58.2146.6-174.422.9-33.9000111.2R548P546-R548 PolarHBondContact O-N 2.95Å
547P71.8Confident70.7Confident127 Ų127121.7 Ų121.783%0.82571%0.712SS**  trans-53.6109.1-174.9-27.835.3000112Q549P547-Q549 PolarHBondContact O-N 3.47Å
548R72.2Confident73.1Confident228 Ų228120.4 Ų120.486%0.8669%0.692SS**  trans-53.5127.3172-72.9-174.5171.7-159-2.9107.5P546 T550P546-R548 PolarHBondContact O-N 2.95Å; R548-T550 VanDerWaalsContact C-N 3.29Å; R548-T550 PolarHBondContact O-N 2.8Å; R548-T550 PolarHBondContact O-OG1 2.95Å
549Q71.9Confident75.6Confident189 Ų189122.8 Ų122.888%0.88369%0.689SS**  trans-63.786.7-174.4-68.3-178.8-4.600111.4P547 K551P547-Q549 PolarHBondContact O-N 3.47Å; Q549-K551 PolarHBondContact O-N 2.67Å
550T71.1Confident78.1Confident125 Ų125122.6 Ų122.677%0.76768%0.68SS**  trans-68.198.4179.3-41.30000108.2R548 T552R548-T550 VanDerWaalsContact C-N 3.29Å; R548-T550 PolarHBondContact O-N 2.8Å; R548-T550 PolarHBondContact O-OG1 2.95Å; T550-T552 PolarHBondContact O-N 3.22Å
551K80.6Confident80.7Confident170 Ų170126.9 Ų126.974%0.73967%0.672SS**  trans-52104.6-178.4-75.7175.4178.6166.50109.4Q549Q549-K551 PolarHBondContact O-N 2.67Å
552T85.7Confident82.5Confident98 Ų98125.2 Ų125.260%0.60166%0.664SS**  trans-58.9146.9-169.3-360000109.3T550 A554 A555 M556T550-T552 PolarHBondContact O-N 3.22Å; T552-A554 CarbonylContact O-C 3.56Å; T552-A554 PolarHBondContact O-N 2.69Å; T552-A555 WeakPolarHBondContact O-CA 3.39Å; T552-A555 WeakPolarHBondContact O-CB 3.31Å; T552-A555 PolarHBondContact O-N 3.17Å; T552-M556 PolarHBondContact O-N 2.99Å; T552-M556 VanDerWaalsContact O-N 3.1Å
553L86.8Confident84.2Confident98 Ų98127 Ų12751%0.51366%0.66SS.*Hα-helixtrans-59.3-23.8-177.4-164.3143.8000112.4R557L553-R557 HydrophobicContact CD2-CG 4.32Å; L553-R557 VanDerWaalsContact CD2-NE 3.34Å; L553-R557 WeakPolarHBondContact O-CG 3.2Å; L553-R557 PolarHBondContact O-N 3.04Å; L553-R557 VanDerWaalsContact O-N 3.08Å
554A89.4Confident86Confident67 Ų67130.2 Ų130.255%0.55465%0.653SS**Hα-helixtrans-61.3-52165.500000113.3T552 M556 R557 E558T552-A554 CarbonylContact O-C 3.56Å; T552-A554 PolarHBondContact O-N 2.69Å; A554-M556 VanDerWaalsContact C-N 3.29Å; A554-M556 PolarHBondContact O-N 3.09Å; A554-R557 WeakPolarHBondContact O-CB 3.49Å; A554-R557 PolarHBondContact O-N 2.96Å; A554-R557 VanDerWaalsContact O-N 3.11Å; A554-E558 PolarHBondContact O-N 2.6Å
555A92.1Very high87.1Confident53 Ų53129.9 Ų129.944%0.43865%0.652SS.*Hα-helixtrans-62.7-32.8178.400000112.8T552 K559T552-A555 WeakPolarHBondContact O-CA 3.39Å; T552-A555 WeakPolarHBondContact O-CB 3.31Å; T552-A555 PolarHBondContact O-N 3.17Å; A555-K559 WeakPolarHBondContact O-CB 3.13Å; A555-K559 PolarHBondContact O-N 3.05Å
556M94.8Very high87.9Confident105 Ų105130 Ų13052%0.51765%0.646SS.*Hα-helixtrans-69-41.3171.9-64.5-154.8-62.500112.5T552 A554 L560T552-M556 PolarHBondContact O-N 2.99Å; T552-M556 VanDerWaalsContact O-N 3.1Å; A554-M556 VanDerWaalsContact C-N 3.29Å; A554-M556 PolarHBondContact O-N 3.09Å; M556-L560 PolarHBondContact O-N 3.32Å
557R95.7Very high88.8Confident167 Ų167130.7 Ų130.763%0.6364%0.638SS**Hα-helixtrans-63.1-40.5174-77.4174.8174.1164.81.4112L553 A554 L560 R561L553-R557 HydrophobicContact CD2-CG 4.32Å; L553-R557 VanDerWaalsContact CD2-NE 3.34Å; L553-R557 WeakPolarHBondContact O-CG 3.2Å; L553-R557 PolarHBondContact O-N 3.04Å; L553-R557 VanDerWaalsContact O-N 3.08Å; A554-R557 WeakPolarHBondContact O-CB 3.49Å; A554-R557 PolarHBondContact O-N 2.96Å; A554-R557 VanDerWaalsContact O-N 3.11Å; R557-L560 WeakPolarHBondContact O-CB 3.32Å; R557-L560 PolarHBondContact O-N 3.3Å; R557-R561 PolarHBondContact O-N 3.18Å
558E94.1Very high89.6Confident98 Ų98129.7 Ų129.746%0.45862%0.622SS.*Hα-helixtrans-71.6-39.9179.8-153.653.9-126.900111.9A554 L560 R561 A562A554-E558 PolarHBondContact O-N 2.6Å; E558-L560 PolarHBondContact O-N 2.92Å; E558-R561 WeakPolarHBondContact O-CB 3.47Å; E558-R561 PolarHBondContact O-N 3.38Å; E558-R561 VanDerWaalsContact O-N 3.12Å; E558-R561 WeakPolarHBondContact OE1-CD 3.32Å; E558-R561 IonicContact OE1-NH1 2.6Å; E558-R561 WeakPolarHBondContact OE2-CD 3.39Å; E558-R561 IonicContact OE2-CZ 2.73Å; E558-R561 IonicContact OE2-NE 3.8Å; E558-R561 IonicContact OE2-NH1 3.67Å; E558-R561 PolarHBondContact OE2-NH1 2.78Å; E558-A562 PolarHBondContact O-N 3.28Å
559K96.1Very high90.3Very high160 Ų160121.4 Ų121.470%0.69660%0.6SS**Hα-helixtrans-60.4-33.4170.1-175.2166.1-177.3169.20112.5A555 K563A555-K559 WeakPolarHBondContact O-CB 3.13Å; A555-K559 PolarHBondContact O-N 3.05Å; K559-K563 WeakPolarHBondContact O-CB 3.3Å; K559-K563 PolarHBondContact O-N 3.15Å
560L96.2Very high90.9Very high110 Ų110117.8 Ų117.858%0.57658%0.583SS**Hα-helixtrans-71.5-34.9174-86.9165.3000113.2M556 R557 E558 R564M556-L560 PolarHBondContact O-N 3.32Å; R557-L560 WeakPolarHBondContact O-CB 3.32Å; R557-L560 PolarHBondContact O-N 3.3Å; E558-L560 PolarHBondContact O-N 2.92Å; L560-R564 WeakPolarHBondContact O-CB 3.37Å; L560-R564 PolarHBondContact O-N 3.11Å
561R96.5Very high91.4Very high164 Ų164119 Ų11962%0.61957%0.573SS**Hα-helixtrans-63.5-53.5169.8-79.5172.8166.8166.5-10.3111.2R557 E558 K563 R564 M565R557-R561 PolarHBondContact O-N 3.18Å; E558-R561 WeakPolarHBondContact O-CB 3.47Å; E558-R561 PolarHBondContact O-N 3.38Å; E558-R561 VanDerWaalsContact O-N 3.12Å; E558-R561 WeakPolarHBondContact OE1-CD 3.32Å; E558-R561 IonicContact OE1-NH1 2.6Å; E558-R561 WeakPolarHBondContact OE2-CD 3.39Å; E558-R561 IonicContact OE2-CZ 2.73Å; E558-R561 IonicContact OE2-NE 3.8Å; E558-R561 IonicContact OE2-NH1 3.67Å; E558-R561 PolarHBondContact OE2-NH1 2.78Å; R561-K563 VanDerWaalsContact C-N 3.35Å; R561-K563 PolarHBondContact O-N 2.83Å; R561-R564 WeakPolarHBondContact O-CA 3.45Å; R561-R564 WeakPolarHBondContact O-CB 3.26Å; R561-R564 PolarHBondContact O-N 3.5Å; R561-M565 PolarHBondContact O-N 3.19Å
562A96.3Very high90.9Very high61 Ų61115.1 Ų115.150%0.50457%0.567SS.*Hα-helixtrans-56.9-45.5-179.300000112.1E558 R564 M565 L566E558-A562 PolarHBondContact O-N 3.28Å; A562-R564 VanDerWaalsContact C-N 3.28Å; A562-R564 PolarHBondContact O-N 3.37Å; A562-M565 PolarHBondContact O-N 3.27Å; A562-L566 WeakPolarHBondContact O-CB 3.49Å; A562-L566 PolarHBondContact O-N 3.11Å
563K97.5Very high89.8Confident158 Ų158118.2 Ų118.269%0.68758%0.577SS**Hα-helixtrans-63.8-31.7175.8-169.1178.3-179.2-1750112.8K559 R561 K567K559-K563 WeakPolarHBondContact O-CB 3.3Å; K559-K563 PolarHBondContact O-N 3.15Å; R561-K563 VanDerWaalsContact C-N 3.35Å; R561-K563 PolarHBondContact O-N 2.83Å; K563-K567 PolarHBondContact O-N 3.02Å
564R95.3Very high88.6Confident190 Ų190122 Ų12272%0.71759%0.594SS**Hα-helixtrans-75-39.9178.1-162.3-179.1-63.1179.3-3.4111.7L560 R561 A562 E568L560-R564 WeakPolarHBondContact O-CB 3.37Å; L560-R564 PolarHBondContact O-N 3.11Å; R561-R564 WeakPolarHBondContact O-CA 3.45Å; R561-R564 WeakPolarHBondContact O-CB 3.26Å; R561-R564 PolarHBondContact O-N 3.5Å; A562-R564 VanDerWaalsContact C-N 3.28Å; A562-R564 PolarHBondContact O-N 3.37Å; R564-E568 PolarHBondContact O-N 2.97Å
565M94Very high86.8Confident149 Ų149121.8 Ų121.873%0.73460%0.598SS**Hα-helixtrans-64.1-43.8171.8-78.8-16475.100112.2R561 A562 K567 E568 S569R561-M565 PolarHBondContact O-N 3.19Å; A562-M565 PolarHBondContact O-N 3.27Å; M565-K567 VanDerWaalsContact C-N 3.34Å; M565-K567 PolarHBondContact O-N 3.35Å; M565-E568 PolarHBondContact O-N 2.79Å; M565-S569 PolarHBondContact O-N 2.94Å; M565-S569 PolarHBondContact O-OG 2.92Å
566L93.3Very high85Confident102 Ų102127.5 Ų127.553%0.53462%0.616SS.*Hα-helixtrans-58.4-46.1179.3-173.865.3000111.7A562 E568 S569 E570A562-L566 WeakPolarHBondContact O-CB 3.49Å; A562-L566 PolarHBondContact O-N 3.11Å; L566-E568 PolarHBondContact O-N 3.06Å; L566-S569 WeakPolarHBondContact CA-OG 3.35Å; L566-S569 PolarHBondContact O-N 3.23Å; L566-S569 PolarHBondContact O-OG 3.44Å; L566-E570 WeakPolarHBondContact O-CG 3.03Å; L566-E570 PolarHBondContact O-N 2.93Å
567K93.7Very high82.6Confident125 Ų125133.5 Ų133.554%0.54363%0.633SS.*Hα-helixtrans-63.5-26.1176.7-174.3168.6-178.5177.10113.4K563 M565 E570 R571K563-K567 PolarHBondContact O-N 3.02Å; M565-K567 VanDerWaalsContact C-N 3.34Å; M565-K567 PolarHBondContact O-N 3.35Å; K567-E570 WeakPolarHBondContact CA-OE2 3.25Å; K567-R571 WeakPolarHBondContact O-CG 3.49Å; K567-R571 PolarHBondContact O-N 3.22Å
568E88.4Confident80.3Confident106 Ų106133.5 Ų133.550%0.49564%0.638SS.*Hα-helixtrans-81.7-36.3175.9-148.460-157.100111.8R564 M565 L566 R571 S572R564-E568 PolarHBondContact O-N 2.97Å; M565-E568 PolarHBondContact O-N 2.79Å; L566-E568 PolarHBondContact O-N 3.06Å; E568-R571 WeakPolarHBondContact O-CB 3.2Å; E568-R571 PolarHBondContact O-N 2.68Å; E568-R571 IonicContact OE1-NH1 3.6Å; E568-R571 IonicContact OE2-CZ 2.99Å; E568-R571 IonicContact OE2-NH1 2.66Å; E568-R571 PolarHBondContact OE2-NH1 3.03Å; E568-S572 PolarHBondContact O-N 2.87Å
569S86.9Confident78Confident55 Ų55139.2 Ų139.239%0.38566%0.657SS.*Hα-helixtrans-65.8-35.5169.749.20000113M565 L566 R571 S572 M573M565-S569 PolarHBondContact O-N 2.94Å; M565-S569 PolarHBondContact O-OG 2.92Å; L566-S569 WeakPolarHBondContact CA-OG 3.35Å; L566-S569 PolarHBondContact O-N 3.23Å; L566-S569 PolarHBondContact O-OG 3.44Å; S569-R571 VanDerWaalsContact C-N 3.28Å; S569-R571 PolarHBondContact O-N 3.08Å; S569-S572 PolarHBondContact O-N 2.66Å; S569-M573 WeakPolarHBondContact O-CB 3.3Å; S569-M573 VanDerWaalsContact O-CG 3.23Å; S569-M573 WeakPolarHBondContact O-CG 3.19Å; S569-M573 PolarHBondContact O-N 3.02Å
570E84Confident75.4Confident113 Ų113135.3 Ų135.353%0.52866%0.662SS.*Hα-helixtrans-58.4-40173.1-75.2167.117600111.4L566 K567L566-E570 WeakPolarHBondContact O-CG 3.03Å; L566-E570 PolarHBondContact O-N 2.93Å; K567-E570 WeakPolarHBondContact CA-OE2 3.25Å
571R81.2Confident73.3Confident151 Ų151138.3 Ų138.357%0.5768%0.678SS**Hα-helixtrans-67.7-43.5174.3-71.4162.9157.1-177.3-15.1112.5K567 E568 S569 M573K567-R571 WeakPolarHBondContact O-CG 3.49Å; K567-R571 PolarHBondContact O-N 3.22Å; E568-R571 WeakPolarHBondContact O-CB 3.2Å; E568-R571 PolarHBondContact O-N 2.68Å; E568-R571 IonicContact OE1-NH1 3.6Å; E568-R571 IonicContact OE2-CZ 2.99Å; E568-R571 IonicContact OE2-NH1 2.66Å; E568-R571 PolarHBondContact OE2-NH1 3.03Å; S569-R571 VanDerWaalsContact C-N 3.28Å; S569-R571 PolarHBondContact O-N 3.08Å; R571-M573 VanDerWaalsContact C-N 3.29Å; R571-M573 PolarHBondContact O-N 2.94Å
572S70.9Confident70.9Confident88 Ų88136.1 Ų136.162%0.61569%0.685SS**Hα-helixtrans-68.8-25.3-178.4-167.50000113.7E568 S569E568-S572 PolarHBondContact O-N 2.87Å; S569-S572 PolarHBondContact O-N 2.66Å
573M62.7Low68.3Low163 Ų163136.5 Ų136.580%0.80369%0.694SS**Hα-helixtrans-84.4-25.5-177.6-72.1-74.8-74.500113.8S569 R571S569-M573 WeakPolarHBondContact O-CB 3.3Å; S569-M573 VanDerWaalsContact O-CG 3.23Å; S569-M573 WeakPolarHBondContact O-CG 3.19Å; S569-M573 PolarHBondContact O-N 3.02Å; R571-M573 VanDerWaalsContact C-N 3.29Å; R571-M573 PolarHBondContact O-N 2.94Å
574M60.5Low65.7Low176 Ų176134.3 Ų134.387%0.86770%0.699SS**Hα-helixtrans-86.8-9.6179.1-109.172.5179.400114.1
575G53.5Low63.1Low63 Ų63133.9 Ų133.965%0.64971%0.707SS**SBendtrans-99.94.1-164.300000117.7
576Q52.5Low61.4Low174 Ų174132.5 Ų132.581%0.81371%0.708SS**  trans-122.779.5-177.2-73-166.9-5.300113.3
577R46Very low59.4Low230 Ų230133.3 Ų133.387%0.86872%0.719SS**SBendtrans-174.5142149.3-104.9157.5-146.1-118.23.8111.5
578F46Very low57.2Low168 Ų168135.4 Ų135.474%0.73773%0.73SS**SBendtrans70.6137174.2-73.3-80.6000118.9
579Y47.1Very low55.6Low218 Ų218136.6 Ų136.686%0.85575%0.747SS**  trans56.5103.9173.1-51.8-62.9000118.2
580G40.8Very low53.6Low77 Ų77138.7 Ų138.779%0.79476%0.761SS**  trans-114.1132.8158.300000110.5
581L53.2Low51.7Low174 Ų174139.3 Ų139.391%0.91178%0.778SS**  trans-148.3163.7161.5-93.1173.5000106.7
582P45.6Very low49.8Very low118 Ų118136.1 Ų136.177%0.76679%0.793SS**  trans-95152.2-136.634-38.3000117.3
583G40.4Very low48.5Very low69 Ų69137.9 Ų137.971%0.71181%0.805SS**  88.227.9119.600000120.3M585G583-M585 PolarHBondContact O-N 3.41Å
584S44.4Very low47.5Very low112 Ų112135.5 Ų135.578%0.78381%0.805SS**  trans-74.286.3168.9-172.30000112T586S584-T586 PolarHBondContact O-N 2.99Å
585M40.8Very low46.6Very low180 Ų180130.2 Ų130.289%0.88780%0.795SS**  trans-80.392.3173.2-74.1-170.16700111.2G583 P587G583-M585 PolarHBondContact O-N 3.41Å; M585-P587 WeakPolarHBondContact O-CD 3.24Å
586T56.5Low46Very low121 Ų121137 Ų13774%0.74280%0.802SS**  trans-89108.4164.127.40000109.7S584S584-T586 PolarHBondContact O-N 2.99Å
587P51.9Low45.4Very low118 Ų118138.8 Ų138.877%0.76681%0.808SS**  trans-73.5134.4-175.828.8-34.2000111.8M585M585-P587 WeakPolarHBondContact O-CD 3.24Å
588H47.5Very low45.2Very low170 Ų170135 Ų13579%0.78780%0.8SS**  trans-64.2133.5167.8-79.9-84.7000110.4S590H588-S590 PolarHBondContact O-N 3.38Å
589P55.3Low44.7Very low131 Ų131134 Ų13485%0.85180%0.803SS**SBendtrans-7476.8176.330.8-35.4000111.1
590S45.1Very low44.3Very low98 Ų98133 Ų13369%0.68580%0.797SS**  trans-144.929-172.2-670000114.1H588H588-S590 PolarHBondContact O-N 3.38Å
591S43.9Very low44.1Very low126 Ų126136 Ų13688%0.88180%0.795SS**  trans-160.1141.2161.6-80.80000109.9
592G42.3Very low43.3Very low85 Ų85136.8 Ų136.888%0.87679%0.787SS**  trans-99.6129.5169.700000110.2
593S42.8Very low42.9Very low124 Ų124136.8 Ų136.887%0.86779%0.787SS**  trans-144.7155.2160.1-165.70000108.9
594S42.3Very low42.8Very low114 Ų114140 Ų14080%0.79779%0.793SS**  trans-87.1141.7-176.9-165.20000111.1
595G39.8Very low42.5Very low65 Ų65139.1 Ų139.167%0.6779%0.787SS**  trans-149.3101.1-178.900000110.8
596Y41.6Very low42.5Very low204 Ų204136.2 Ų136.280%0.877%0.774SS**  trans-33.9128.2-178-61.6-96.8000117.2
597F41Very low41.5Very low213 Ų213136.7 Ų136.793%0.93477%0.772SS**  trans-110.7134.8130.8-86-83.9000107.9
598Q40.2Very low40.8Very low150 Ų150138.8 Ų138.870%0.70177%0.769SS**  trans-85.6121.7-174.9-68.3-177.9-7.400111.4R600Q598-R600 PolarHBondContact O-N 3.45Å
599N36Very low40.3Very low148 Ų148136.1 Ų136.179%0.79176%0.764SS**  trans-70106.1156.6-88.4-2.8000108.8N601N599-N601 PolarHBondContact O-N 2.9Å
600R39.3Very low39.3Very low197 Ų197135.6 Ų135.674%0.74376%0.764SS**  trans-77.271.8163.9-80.3-168.5176.3-171.91.7110.5Q598Q598-R600 PolarHBondContact O-N 3.45Å
601N36.8Very low38.9Very low138 Ų138137.6 Ų137.674%0.73877%0.766SS**  trans-82.7109.6157.3-76.9-2000107.8N599 P603N599-N601 PolarHBondContact O-N 2.9Å; N601-P603 VanDerWaalsContact O-CD 3.28Å; N601-P603 WeakPolarHBondContact O-CD 3.18Å
602Y35.5Very low38.5Very low192 Ų192137 Ų13775%0.75376%0.762SS**  trans-97.6108.7167.5-90-72.8000110
603P36.9Very low38.3Very low118 Ų118140.8 Ų140.877%0.76676%0.757SS**  trans-94.5116.5162.834-27.8000109.9N601N601-P603 VanDerWaalsContact O-CD 3.28Å; N601-P603 WeakPolarHBondContact O-CD 3.18Å
604T39.1Very low38.1Very low136 Ų136142 Ų14283%0.83476%0.759SS**  trans-136.4149.8160.8-46.90000108.3
605S38.3Very low37.8Very low93 Ų93144.4 Ų144.465%0.6576%0.758SS**  trans-142.8178.9-162.957.30000111.7
606I40.3Very low37.7Very low119 Ų119148.5 Ų148.561%0.6176%0.764SS**  trans93.5115.4166.4-59.2166.9000115.9N722I606-N722 VanDerWaalsContact CG2-ND2 3.32Å; I606-N722 WeakPolarHBondContact CG2-ND2 3.49Å
607N35.7Very low37.4Very low132 Ų132148 Ų14871%0.70677%0.767SS**  trans-69.7158.7163.7-61.1-26.6000111.2
608F36.6Very low37.3Very low161 Ų161147.2 Ų147.271%0.70677%0.766SS**  -169.716499.9-105.4-71.6000113.6N722F608-N722 HydrophobicContact CD2-CB 4.49Å; F608-N722 HydrophobicContact CE2-CB 3.94Å; F608-N722 WeakPolarHBondContact CE2-O 3.48Å
609V37.7Very low36.9Very low114 Ų114145.4 Ų145.469%0.69177%0.769SS**  trans-96.2151.2-169.4174.10000111.5L611V609-L611 HydrophobicContact CG1-CD1 3.86Å
610S35Very low37.3Very low121 Ų121143.8 Ų143.885%0.84677%0.767SS**  trans-156.3144.2150-77.30000110.6
611L36.3Very low37.2Very low139 Ų139139.2 Ų139.273%0.72877%0.766SS**  trans-100.3147.5-177.7-82.874.3000112.5V609V609-L611 HydrophobicContact CG1-CD1 3.86Å
612S35.2Very low37.3Very low113 Ų113140.2 Ų140.279%0.7977%0.769SS**  trans-175119142.234.80000105.6
613E37Very low37.5Very low165 Ų165136.5 Ų136.577%0.77177%0.771SS**  cis52.391.549.4-64.8-163.215600113.6
614T40.1Very low37.4Very low150 Ų150136.3 Ų136.392%0.9277%0.773SS**  -173.6155.7111.321.40000111.7
615E35.7Very low37.6Very low165 Ų165135.7 Ų135.777%0.77177%0.771SS**  trans-82.4151.2174.5-54.2166.397.100111.3
616N36.7Very low37.7Very low150 Ų150136.3 Ų136.380%0.80278%0.776SS**  -177.8165102.6-103.6-73.7000114.6
617K36.9Very low37.5Very low194 Ų194138.1 Ų138.184%0.84379%0.785SS**  trans-98.2141.2177.3-59.5169.4-177.1168.40110.8
618Q38.2Very low37.6Very low197 Ų197143.4 Ų143.492%0.92180%0.796SS**  trans-157.2149148.8-115165.72600112.7
619S32Very low37.9Very low111 Ų111140.1 Ų140.178%0.77679%0.789SS**  trans-139.8-175.3177.2-35.90000106.7
620P44.6Very low38Very low114 Ų114139.5 Ų139.574%0.7479%0.787SS**  cis-133.1-125.6-7.640.3-18.8000111
621S36.9Very low38.3Very low102 Ų102141 Ų14171%0.71378%0.784SS**  trans76.6121-17971.40000115.1
622I39.5Very low38.3Very low158 Ų158137.3 Ų137.381%0.8177%0.77SS**  cis84.79938.8-58.2160.4000112.9
623S39.8Very low38.5Very low115 Ų115137.1 Ų137.180%0.80477%0.766SS**  173.5133.8117.455.30000113.3
624S34.8Very low38.7Very low113 Ų113134.9 Ų134.979%0.7977%0.768SS**  trans-77172.8160.9-25.50000110.1
625P43.3Very low38.4Very low124 Ų124131.9 Ų131.981%0.80576%0.759SS**  cis-130.7-153.749.534.8-11.3000111
626S38.6Very low38.4Very low106 Ų106131.1 Ų131.174%0.74176%0.76SS**  cis-157.4-175.510.6-156.60000112.9
627L37.1Very low38.3Very low156 Ų156130.6 Ų130.682%0.81776%0.758SS**  trans-110.1152.7178.5-58.686000112.1
628R38.8Very low38.7Very low244 Ų244133.5 Ų133.592%0.92176%0.763SS**  178.1139.9108.8-98176.1177.2-167.5-1.3113.7
629T41.3Very low38.6Very low91 Ų91129 Ų12956%0.55875%0.753SS**  trans-95.2164.1163.550.20000110.8N659T629-N659 HydrophobicContact CG2-CB 4.31Å
630P40.2Very low39.1Very low102 Ų102130.1 Ų130.166%0.66276%0.755SS**  -145136.2127.732.9-15.7000116.5
631I42.1Very low39Very low151 Ų151132.8 Ų132.877%0.77476%0.758SS**  59.8115.9120.4-54.2166000120.9
632S35.7Very low39.3Very low62 Ų62132.5 Ų132.543%0.43476%0.756SS.*  trans-56.3-172.7158.759.60000116.6R657S632-R657 PolarHBondContact OG-NH1 3.04Å; S632-R657 PolarHBondContact OG-NH2 2.84Å
633P40.4Very low39.3Very low109 Ų109131.3 Ų131.371%0.70876%0.755SS**  cis-135-149.9-5.838.8-16.4000113.1
634S40Very low38.9Very low118 Ų118132.5 Ų132.583%0.82575%0.753SS**  trans74.9172.916780.20000117.7
635A33.9Very low39.2Very low87 Ų87132.7 Ų132.772%0.71975%0.749SS**  -172.8126.4-55.300000109.5
636N35.6Very low38.9Very low149 Ų149131.9 Ų131.980%0.79775%0.746SS**  trans56.8160.2164.7-86.225.9000122.6
637D34.6Very low38.6Very low140 Ų140131.6 Ų131.675%0.74974%0.744SS**  trans58.2104.2156.1-62.6-35.1000122.2
638R45.6Very low38.5Very low254 Ų254130.5 Ų130.596%0.95874%0.739SS**  -161137.2110.5-110.7172.1179.2-176.9-0.5112.8
639S36.8Very low38.3Very low103 Ų103127 Ų12772%0.7273%0.733SS**  trans-124.4128.8-174.2560000113.8
640V40.6Very low38Very low134 Ų134126.7 Ų126.781%0.81273%0.734SS**  trans-152.4123163.9-179.40000106
641H44.3Very low37.9Very low171 Ų171129.8 Ų129.879%0.79274%0.74SS**SBendcis-157.4176.5-12.8-105.4-3.7000106.1
642S42.4Very low37.8Very low96 Ų96127.6 Ų127.667%0.67173%0.733SS**  cis-147.913914.954.60000112.4
643V39.3Very low38Very low133 Ų133132.5 Ų132.581%0.80675%0.749SS**  trans66.1107.6161.1-127.40000121.6
644N31.5Very low37.9Very low139 Ų139134.2 Ų134.274%0.74375%0.748SS**  trans99.7131134.4-121.7-6000123.2
645V41.8Very low38.1Very low117 Ų117134.9 Ų134.971%0.70974%0.742SS**  trans39.498.1165.4-730000119.5
646S36.8Very low38.2Very low107 Ų107135.6 Ų135.675%0.74874%0.737SS**  77.1116.176.2-60.50000114.6
647S31.5Very low38.5Very low101 Ų101136 Ų13671%0.70673%0.728SS**  cis81.3137.642.381.90000113.6
648L34.8Very low39Very low133 Ų133133.5 Ų133.570%0.69672%0.719SS**  cis-161.1165.335.8-74.1163.3000114.9
649Q34.5Very low38.9Very low170 Ų170126.2 Ų126.279%0.79470%0.699SS**  trans66.1156.8136.7-79.4163.6-20.300123.3
650S34.6Very low39.1Very low85 Ų85128.3 Ų128.359%0.59470%0.702SS**  cis-158.4167.3-7.9530000115.1
651E38.6Very low39Very low167 Ų167126.3 Ų126.378%0.7870%0.699SS**  trans69153.1149.3-75.7157.3117.900121.2
652T40.3Very low38.9Very low104 Ų104122.9 Ų122.964%0.63869%0.694SS**  cis-149.5152.59.9-14.40000114.1
653Q40.5Very low38.5Very low165 Ų165127.5 Ų127.577%0.77171%0.705SS**  trans56.9147.8149.9-80.7159.43.300123.1
654E37.6Very low38.3Very low146 Ų146126.4 Ų126.468%0.68270%0.704SS**  cis-164.9133.7-32.1-111-155.2101.900107.7
655L43.6Very low38.7Very low132 Ų132124.8 Ų124.869%0.69170%0.7SS**  66138.590.1-100.266.5000116.4
656T37.6Very low38.3Very low101 Ų101124.8 Ų124.862%0.6271%0.705SS**  cis-139.1-137.3-10.6-20.70000109.1
657R41.8Very low38.2Very low158 Ų158125.3 Ų125.360%0.59671%0.708SS**  cis-170.1163.1-1.2-129144.8-126.5-98.6-3.9107.6S632S632-R657 PolarHBondContact OG-NH1 3.04Å; S632-R657 PolarHBondContact OG-NH2 2.84Å
658P44.9Very low38.8Very low88 Ų88125.7 Ų125.757%0.57171%0.708SS**  -136.1169.2-55.141.8-25.8000115.4
659N42.9Very low38.8Very low101 Ų101126.8 Ų126.854%0.5471%0.714SS.*  trans65150.8149.4-65.95.5000120.8T629T629-N659 HydrophobicContact CG2-CB 4.31Å
660L41.9Very low39Very low147 Ų147123.6 Ų123.677%0.7771%0.711SS**  cis-166.7139.8-10.8-113.6168.6000110.7
661A38.9Very low39.3Very low91 Ų91124.1 Ų124.175%0.75272%0.72SS**  trans58.1170157.900000118.8
662S40.2Very low39.3Very low100 Ų100122.2 Ų122.270%0.69972%0.722SS**  cis-163.6167.6-44.754.90000109.3
663E35.1Very low39.1Very low192 Ų192123.1 Ų123.190%0.89773%0.732SS**  trans82.6162.9171.5-50.5-165.3121.500120.5
664S36Very low39.3Very low111 Ų111123.4 Ų123.478%0.77674%0.737SS**  trans-37.5171.5169.6-148.70000118.7
665P39.4Very low39.1Very low104 Ų104123.9 Ų123.968%0.67575%0.745SS**  cis-134.9177.6-47.638-21.7000114.5
666C33.1Very low38.9Very low118 Ų118123 Ų12380%0.79775%0.745SS**  trans60131156.8-650000122.1
667S33.7Very low38.7Very low117 Ų117126.5 Ų126.582%0.81876%0.756SS**  trans69.9-159.7154.3-55.50000117.2
668P45.5Very low38.1Very low109 Ų109123.7 Ų123.771%0.70876%0.761SS**  -131.5179.7-94.242.6-27.3000118.2
669L35Very low37.7Very low156 Ų156125.3 Ų125.382%0.81777%0.771SS**  trans79.6130.9153.7-78.7161.1000123.7
670S37.6Very low37.1Very low104 Ų104128 Ų12873%0.72779%0.785SS**  trans58.1114140.5-63.20000125.6
671A42Very low36.7Very low96 Ų96128.8 Ų128.879%0.79379%0.789SS**  53.4144.4127.900000123.6
672P37.4Very low36.2Very low127 Ų127129.6 Ų129.683%0.82579%0.789SS**  trans-116145.9159.637.5-27.1000113.9
673S37.3Very low35.9Very low122 Ų122131 Ų13185%0.85379%0.793SS**  trans-116137.4170.2-52.90000110.6
674I43.1Very low35.5Very low171 Ų171128.8 Ų128.888%0.87779%0.788SS**  trans-100.5126176.7-51.3176.6000108.3
675N35.2Very low35.4Very low156 Ų156130.6 Ų130.683%0.83479%0.789SS**  trans-122.1130-170.8-154.9-0000110.2
676V39.4Very low34.9Very low114 Ų114129.7 Ų129.769%0.69179%0.79SS**  trans-134.3103.8-179.3-176.80000110.7
677M33.5Very low34.9Very low174 Ų174129.6 Ų129.686%0.85779%0.791SS**  trans54.4116.7155-70.1150.259.300120
678S28.6Very low34.7Very low100 Ų100129 Ų12970%0.69979%0.786SS**  trans-66.6168.4160.3-39.70000112.3
679P36.9Very low34.2Very low122 Ų122132.3 Ų132.379%0.79279%0.792SS**  -11214787.333.8-35.8000112
680L29.6Very low33.9Very low158 Ų158131.8 Ų131.883%0.82779%0.79SS**  cis69.785.945.3-71.2178.1000114.9
681L34.2Very low33.7Very low163 Ų163132.8 Ų132.885%0.85379%0.786SS**  trans-165.1119.6143.1-92.8165000103.9
682S26.9Very low33.2Very low108 Ų108133.6 Ų133.676%0.75578%0.782SS**  50.3127.176.9-570000111.8
683V34.7Very low32.9Very low130 Ų130133 Ų13379%0.78878%0.775SS**  cis-143.9123.739.1-176.50000108.8
684N27.5Very low32.6Very low145 Ų145133.4 Ų133.478%0.77577%0.768SS**  54.111294.9-106.821.6000117.5
685N32.9Very low32.1Very low149 Ų149130.9 Ų130.980%0.79776%0.757SS**  trans152.4119.2137.1-76.9-9.3000109
686A29.2Very low32Very low85 Ų85129.5 Ų129.570%0.70275%0.749SS**  cis98.1146.934.700000113.2
687S33.2Very low31.6Very low116 Ų116130 Ų13081%0.81175%0.748SS**  trans61.6123.2-161.666.70000113.9
688S28.6Very low31.8Very low104 Ų104128.2 Ų128.273%0.72774%0.741SS**  cis74.599.39.391.80000118.2
689E34.9Very low32.1Very low179 Ų179129 Ų12984%0.83674%0.737SS**  -164.8136.8122.2-99154-158.200107.2
690N29.5Very low31.8Very low145 Ų145129 Ų12978%0.77573%0.731SS**  cis72.8136.339.3-142.621.3000109.1
691I33.5Very low31.9Very low125 Ų125132.3 Ų132.364%0.64173%0.734SS**  cis-156.3160.831.1-67.7165.1000109.7
692T32.2Very low31.8Very low113 Ų113131.3 Ų131.369%0.69373%0.729SS**  trans61.2129163.248.90000118.8
693T29.2Very low32.1Very low113 Ų113137 Ų13769%0.69374%0.736SS**  cis80149.337.673.20000116.6
694N32.7Very low31.8Very low132 Ų132136.3 Ų136.371%0.70674%0.735SS**  trans80.2141.8170.2-60.2-14.3000117.2
695N32.4Very low32.2Very low118 Ų118134.3 Ų134.363%0.63173%0.733SS**  cis-170.8154.8-21.1-112-11.2000110.1
696N33Very low32.3Very low127 Ų127132.3 Ų132.368%0.67973%0.731SS**  trans65.8162.1153.8-59.3-9.9000116.2
697N31.5Very low32.3Very low123 Ų123133.8 Ų133.866%0.65874%0.736SS**  cis-163.2151.2-12.6-117.6-6.5000109.8
698L35.7Very low32.5Very low138 Ų138138.1 Ų138.172%0.72374%0.74SS**  trans59.8161.5156.5-83.261.4000116.2
699D35.1Very low32.9Very low116 Ų116137.3 Ų137.362%0.6274%0.74SS**  cis-140131.5-8-104.7-42.1000107
700N30.8Very low33Very low123 Ų123138 Ų13866%0.65874%0.743SS**  58.596.888.5-170.615.9000115.5
701Y32.9Very low33.2Very low226 Ų226136.5 Ų136.589%0.88674%0.744SS**  trans-138.2119.4160.6-98.8-81.9000111.4
702N31.8Very low33.2Very low142 Ų142140.4 Ų140.476%0.75975%0.752SS**  trans-76.4144.5170.1-92.5-51000111.3
703Y33.4Very low34Very low229 Ų229141.5 Ų141.590%0.89876%0.761SS**  trans-140.7138148.6-128.3-88.9000110.5
704C28.3Very low34.3Very low114 Ų114141 Ų14177%0.7776%0.762SS**  trans-135.1122.9-169170.30000110.5
705S35.3Very low34.5Very low103 Ų103139.8 Ų139.872%0.7276%0.764SS**  trans-142.1100.3175.1-73.10000112.4
706S34.2Very low35Very low108 Ų108140.2 Ų140.276%0.75577%0.773SS**  trans28.8110.2145.959.20000119.7
707S31Very low35.1Very low115 Ų115142.8 Ų142.880%0.80478%0.78SS**  trans-75149.1159.5-41.10000112
708F37.3Very low35.3Very low208 Ų208145.3 Ų145.391%0.91279%0.793SS**  trans-141.5106.7155-114.3-81.3000109.4
709A35.4Very low35.3Very low86 Ų86144.2 Ų144.271%0.71180%0.797SS**  trans-133.4128.7174.200000108.7
710Q37.2Very low35.2Very low194 Ų194145.7 Ų145.791%0.90781%0.805SS**PPolyproline II helixtrans-89117.6171.9-72.6-176.3-15.500109
711S34.2Very low35.5Very low113 Ų113145.5 Ų145.579%0.7981%0.813SS**PPolyproline II helixtrans-94143.7179.4-540000112
712Y33.1Very low35.4Very low208 Ų208138.2 Ų138.282%0.81679%0.789SS**PPolyproline II helixtrans-65.4154.4174.4-70.9-103.4000112.5S714Y712-S714 VanDerWaalsContact C-N 3.3Å; Y712-S714 PolarHBondContact O-N 2.85Å
713P48.5Very low35.8Very low136 Ų136136.3 Ų136.388%0.88379%0.793SS**  trans-7680.3163.933.3-33.7000110.6
714S35.4Very low35.8Very low103 Ų103131 Ų13172%0.7279%0.79SS**PPolyproline II helixtrans-99.2152.4173.6-69.90000112.2Y712Y712-S714 VanDerWaalsContact C-N 3.3Å; Y712-S714 PolarHBondContact O-N 2.85Å
715S37Very low36.3Very low105 Ų105133.6 Ų133.673%0.73479%0.794SS**PPolyproline II helixtrans-58.9146-173.1-56.90000114.4H717S715-H717 PolarHBondContact O-N 2.87Å
716P44.2Very low36.3Very low128 Ų128134.3 Ų134.383%0.83179%0.794SS**PPolyproline II helixtrans-74.1125178.330.3-34.2000111.9
717H34.1Very low36.5Very low180 Ų180136.5 Ų136.583%0.83380%0.797SS**  trans-113.9135.5160.3-89.6-90.5000109.7S715S715-H717 PolarHBondContact O-N 2.87Å
718L35.4Very low36.8Very low177 Ų177138.3 Ų138.393%0.92779%0.792SS**  trans-84132.2178.9-70160.6000110.3
719S35.5Very low36.7Very low115 Ų115136.3 Ų136.380%0.80479%0.786SS**  trans-129.9125.4165.647.20000109.5
720N33.4Very low36.8Very low147 Ų147137 Ų13779%0.78679%0.785SS**  trans-76.5131.7-179.8-78.2-8.1000110.9
721S37.1Very low36.8Very low119 Ų119134.1 Ų134.183%0.83278%0.78SS**  trans-103.3111.9157.741.30000109.4
722N32.3Very low37Very low72 Ų72136 Ų13639%0.38578%0.775SS.*  trans-76.3133.9172.7-81.8-1.8000110.2I606 F608I606-N722 VanDerWaalsContact CG2-ND2 3.32Å; I606-N722 WeakPolarHBondContact CG2-ND2 3.49Å; F608-N722 HydrophobicContact CD2-CB 4.49Å; F608-N722 HydrophobicContact CE2-CB 3.94Å; F608-N722 WeakPolarHBondContact CE2-O 3.48Å
723A38.6Very low37.1Very low102 Ų102130 Ų13084%0.84376%0.763SS**  trans-141.3123.4161.400000108.3
724S33.6Very low36.4Very low117 Ų117131 Ų13182%0.81876%0.756SS**  trans-93.3125.3-172.853.70000112.2
725I38.3Very low36.5Very low169 Ų169134.3 Ų134.387%0.86776%0.764SS**  trans-129.1137156.5-62-175.9000108.5
726V36.5Very low36.4Very low119 Ų119134.7 Ų134.772%0.72176%0.764SS**  trans-93.2139.1-175.5175.30000109.9
727L37.7Very low35.9Very low154 Ų154133.5 Ų133.581%0.80676%0.759SS**  trans-178.9107134.8-97.5160.7000113.6
728Q37Very low36.7Very low152 Ų152131.1 Ų131.171%0.7176%0.76SS**  trans23.9132.4138-67.4-173.3-9.900122.7
729H37.2Very low37Very low167 Ų167129.2 Ų129.277%0.77376%0.755SS**  trans40.7128.9138.1-55.8-70.7000120.2
730S36.1Very low36.9Very low100 Ų100132 Ų13270%0.69976%0.755SS**  cis-160.6-1463.1-108.10000108.6
731V38Very low38.1Very low133 Ų133130.8 Ų130.881%0.80676%0.755SS**  cis-152.9-14916.4-147.80000110.9
732F37.1Very low38.2Very low153 Ų153131.6 Ų131.667%0.67176%0.755SS**  trans-94.1144.8-168-100.6-117.7000116.5
733S35.5Very low38.3Very low81 Ų81138 Ų13857%0.56678%0.78SS**  -170.5151.2114.1-84.10000113.6S995S733-S995 WeakPolarHBondContact OG-CA 3.44Å; S733-S995 PolarHBondContact OG-N 3.17Å
734Q35Very low38.3Very low159 Ų159140 Ų14074%0.74378%0.782SS**  trans-123.2152.5-171.4-60.8172.4-24.700112.1
735L36.5Very low38.4Very low171 Ų171142.6 Ų142.690%0.89578%0.78SS**  trans-163.7163.9141-123.274.6000107.9
736P36.1Very low38.5Very low113 Ų113146.3 Ų146.373%0.73478%0.783SS**  -129.9165.2-112.235.3-15.7000116.3
737S33.2Very low38.5Very low103 Ų103147.8 Ų147.872%0.7278%0.78SS**PPolyproline II helixtrans-66.5150170.6-53.60000112.8
738P51.4Low38.8Very low131 Ų131149.6 Ų149.685%0.85179%0.785SS**PPolyproline II helixtrans-69.7146.7172.429.9-34.7000112.1
739V40.6Very low39Very low136 Ų136150.4 Ų150.482%0.82479%0.789SS**PPolyproline II helixtrans-99.1144.2-171175.70000112
740H34.5Very low39Very low175 Ų175147.9 Ų147.981%0.8179%0.79SS**PPolyproline II helixtrans-66.4129.2171.7-91.1-88.7000112.3
741P57.7Low39.1Very low121 Ų121150.1 Ų150.179%0.78680%0.799SS**PPolyproline II helixtrans-78.5128.4164.831.2-31.7000111
742T38.7Very low39.2Very low136 Ų136149.2 Ų149.283%0.83480%0.799SS**PPolyproline II helixtrans-82.1162.4174.541.10000113.1
743K35.3Very low39.3Very low207 Ų207146 Ų14690%0.980%0.801SS**PPolyproline II helixtrans-61.8142.5-171.6-56.7172.3-178.9176.30114.1
744T39.4Very low40.2Very low143 Ų143148.1 Ų148.188%0.87781%0.812SS**  trans-135.7141.9149.547.20000110.7
745H35.4Very low41.1Very low171 Ų171146.3 Ų146.379%0.79281%0.814SS**  trans-86.3138.9-166-131-105.7000113.5
746R39.3Very low41.4Very low247 Ų247144.3 Ų144.393%0.93281%0.809SS**  trans-155.4137.8145-153165.5-175.1131.21.8111.7
747F37.1Very low42.4Very low150 Ų150145 Ų14566%0.65881%0.813SS**  trans-74.7148.6175-99.2-122.1000112
748E44.7Very low42.6Very low193 Ų193145 Ų14590%0.90281%0.814SS**  trans-159154.9136.9-93.8-64116.200106
749Q41Very low41.9Very low168 Ų168146 Ų14679%0.78581%0.812SS**  trans-103.6156.9-161-73.8-178.9-30.200116.5
750S37Very low42Very low114 Ų114145 Ų14580%0.79781%0.806SS**  trans-76.5149-174.3-35.80000114.7
751V37.6Very low42.1Very low147 Ų147145.5 Ų145.589%0.89181%0.808SS**  trans-135.9132.8155.7-173.20000109.8
752S39.6Very low41.4Very low115 Ų115144.9 Ų144.980%0.80481%0.807SS**  trans-94.2179.8-166.8-59.40000114.8
753A40.9Very low41.2Very low86 Ų86141.6 Ų141.671%0.71180%0.8SS**PPolyproline II helixtrans-57.5152.9-173.300000115.7
754P52.5Low41.4Very low124 Ų124140 Ų14081%0.80580%0.796SS**PPolyproline II helixtrans-71.8128.8179.529-35000112.4
755P54.9Low41.2Very low122 Ų122139 Ų13979%0.79279%0.786SS**PPolyproline II helixtrans-78.7149.3179.631.2-35000113.2
756T42.8Very low41.2Very low129 Ų129139.4 Ų139.479%0.79179%0.785SS**PPolyproline II helixtrans-67.5133.3170.8-50.30000110.3S758T756-S758 PolarHBondContact O-N 2.95Å; T756-S758 VanDerWaalsContact O-N 3.12Å
757P56.6Low41Very low126 Ų126132.7 Ų132.782%0.81877%0.772SS**  trans-70110.2-178.727.2-34.3000111.8
758S38Very low40.9Very low105 Ų105131.4 Ų131.473%0.73477%0.772SS**  trans-78.5147.5169.548.40000111.3T756T756-S758 PolarHBondContact O-N 2.95Å; T756-S758 VanDerWaalsContact O-N 3.12Å
759N35.6Very low40.4Very low152 Ų152132.6 Ų132.681%0.81377%0.77SS**  trans-85.4129.6-178.8-173.535.5000110.5
760V43.1Very low40.1Very low113 Ų113132.3 Ų132.369%0.68577%0.772SS**  trans-115.8125.2179.4178.10000110.2
761Q37.3Very low40.3Very low186 Ų186135.8 Ų135.887%0.86978%0.776SS**  trans-97109.8170.5-76.8-177.1-91.900111.3
762S42.1Very low40.3Very low108 Ų108137 Ų13776%0.75577%0.772SS**  trans-155147.2154.752.80000107.2
763G34.2Very low40.5Very low67 Ų67137.4 Ų137.469%0.69177%0.772SS**  cis129.1122.58.300000108.9
764Q40.1Very low40.2Very low175 Ų175137.1 Ų137.182%0.81878%0.777SS**  trans81.3106178.6-54-158.117.700119.3
765N35.4Very low39.5Very low122 Ų122140.5 Ų140.565%0.65278%0.781SS**  77153.3115.8-54.1-19.2000123.6
766F36.2Very low38.8Very low178 Ų178139.8 Ų139.878%0.78178%0.779SS**  trans76.687.6158.6-63.4-60.9000122.4
767T34.4Very low38.6Very low106 Ų106138.7 Ų138.765%0.6578%0.777SS**  67.6132.9121.1500000123.5
768N34Very low38Very low124 Ų124137.8 Ų137.866%0.66377%0.774SS**  trans66.7141.5152.8-49.2-16.9000116.7
769Y35.3Very low38.1Very low218 Ų218137.3 Ų137.386%0.85577%0.77SS**  cis-136.2156.318.7-86.3-91.1000112.7
770L35.5Very low38.5Very low161 Ų161138.2 Ų138.284%0.84377%0.774SS**  trans-105135.6172.9-17178.9000110.5
771H39.4Very low38.1Very low187 Ų187136 Ų13687%0.86677%0.774SS**  trans-131.4108.7165.7-107.9-59.3000111.1
772Q39.1Very low38.6Very low174 Ų174133 Ų13381%0.81377%0.771SS**  trans-125.3156.6152.3-86-164.5-4.500108.7
773P42.1Very low38.3Very low123 Ų123133.4 Ų133.480%0.79977%0.772SS**  trans-96.1157.2-164.936.6-35.7000114.5
774G35.3Very low38.5Very low79 Ų79135.4 Ų135.481%0.81478%0.776SS**  trans91.479.4149.200000117
775H37.4Very low38.3Very low196 Ų196132.2 Ų132.291%0.90777%0.773SS**  trans-90.1149.8161.7-77.8-84.2000111.9
776S40.3Very low38.4Very low107 Ų107131.7 Ų131.775%0.74878%0.778SS**  trans-140.9110.6148.656.60000109.5
777S39.8Very low38.5Very low105 Ų105128.3 Ų128.373%0.73478%0.777SS**  trans25.4141.7135.453.50000119.8
778S42.7Very low38.7Very low108 Ų108127.7 Ų127.776%0.75578%0.783SS**  cis177.3162.710380000109.4
779S41.1Very low39.1Very low94 Ų94126.9 Ų126.966%0.65778%0.784SS**  cis-178.9164.7-19.155.10000109.5
780L43.6Very low39.1Very low172 Ų172123.5 Ų123.590%0.90178%0.78SS**  trans72.8145.3169.8-54.3163.2000115.7
781G35.9Very low39.2Very low66 Ų66123.6 Ų123.668%0.6878%0.776SS**  cis-155.3175.5-1.500000113.6
782P45.9Very low38.8Very low123 Ų123119.9 Ų119.980%0.79977%0.767SS**  trans-113.2-150.4-167.343.3-33000113.5
783C37.1Very low38.6Very low116 Ų116117 Ų11778%0.78477%0.765SS**  trans89.8143179-55.10000115
784S38.3Very low38.3Very low110 Ų110120 Ų12077%0.76977%0.769SS**  cis-156.5161.7-11.2-108.80000114.4
785S35.3Very low38.4Very low108 Ų108122.5 Ų122.576%0.75577%0.768SS**  trans-53.9150.5174.951.80000118.8
786S38.8Very low38.2Very low110 Ų110118.2 Ų118.277%0.76976%0.76SS**  trans-162.1127.4134-142.50000108.1
787S37.1Very low37.9Very low107 Ų107119.2 Ų119.275%0.74876%0.764SS**  62.7139.570.6-410000114.2
788A38Very low37.7Very low94 Ų94120.6 Ų120.678%0.77777%0.768SS**  cis-159.2-127.8-1800000110.3
789P42.4Very low37.2Very low107 Ų107119.7 Ų119.770%0.69577%0.767SS**  -128.5-163.5-123.738.5-17000115.8
790L35.6Very low36.8Very low146 Ų146120.2 Ų120.276%0.76477%0.771SS**  trans80.9158.5168.6-54.6155.7000114.9
791H37.2Very low36.2Very low163 Ų163120.8 Ų120.876%0.75577%0.766SS**  cis-137.1172.210.5-146-82.2000113.1
792T32.3Very low36.2Very low110 Ų110121.2 Ų121.268%0.67577%0.771SS**  trans-97.3149.8-171.654.70000116
793S35.6Very low35.4Very low112 Ų112119 Ų11978%0.78376%0.758SS**  trans-179.7130.5136.5-900000108.6
794Q34.8Very low35.1Very low187 Ų187123.5 Ų123.587%0.87476%0.76SS**  66.287.855.3-74.5-156.9-7.500116
795V37.7Very low35.2Very low132 Ų132124 Ų12480%0.876%0.761SS**  trans-162.2107.3132.9-179.20000104
796S32.1Very low35Very low105 Ų105123.1 Ų123.173%0.73476%0.755SS**  65.7135.379.5-60.30000114.5
797P35.6Very low35.1Very low129 Ų129124 Ų12484%0.83876%0.758SS**  trans-90.6148.4-168.335.6-35.6000113.7
798T35.4Very low34.8Very low134 Ų134124.2 Ų124.282%0.82275%0.754SS**  trans-131.4119.6174.1-48.90000110.9
799A30.5Very low34.5Very low89 Ų89129.3 Ų129.374%0.73676%0.76SS**  trans-100.8131.4163.700000109.3
800S33.5Very low33.9Very low104 Ų104127.3 Ų127.373%0.72776%0.758SS**  trans-147.2123.1168.1-169.30000106.6
801F30.3Very low33.7Very low184 Ų184125.1 Ų125.181%0.80776%0.755SS**  68.4136.151.9-70.4-76.3000114
802G35.8Very low33.3Very low76 Ų76126.4 Ų126.478%0.78476%0.759SS**  trans118.670.1-163.400000111.2
803S30.3Very low33.2Very low75 Ų75126.2 Ų126.252%0.52476%0.762SS.*  cis82.399.123.8-56.60000116.1
804Y31.1Very low33.1Very low211 Ų211125.5 Ų125.583%0.82776%0.756SS**  trans70.9159.7153.3-66.8-64.4000117.1
805P39.4Very low32.9Very low120 Ų120123.3 Ų123.378%0.77976%0.756SS**  cis-122.5156.819.941.3-28000118.1
806S30.9Very low32.9Very low90 Ų90122.9 Ų122.963%0.62976%0.755SS**  trans-87.6130.1155.6-52.80000109.4
807P42.4Very low32.9Very low128 Ų128123.1 Ų123.183%0.83176%0.757SS**  trans-84.3112163.531.1-28.5000109.9
808V29.9Very low32.5Very low112 Ų112122.3 Ų122.368%0.67976%0.755SS**  trans-91.1157.6164-174.20000108.1
809F30.7Very low32.4Very low202 Ų202122.5 Ų122.589%0.88676%0.755SS**  trans71.5132.1-177.2-53.6-88.7000115
810G31Very low32.5Very low65 Ų65128.1 Ų128.167%0.6776%0.758SS**  cis153.7-165.2-8.800000113.2
811S30.1Very low32.7Very low100 Ų100129.1 Ų129.170%0.69976%0.762SS**  trans86.5122.3164.2-51.10000120.1
812K30.3Very low32.7Very low190 Ų190124.2 Ų124.283%0.82675%0.75SS**  trans74.6115.4144.4-61.1158.7-169.3176.60116.3
813S29.5Very low32.8Very low106 Ų106126.6 Ų126.674%0.74175%0.749SS**  88.913987.6-156.40000111.2
814S33.5Very low32.8Very low96 Ų96127.2 Ų127.267%0.67175%0.754SS**  cis-152144.314.6-23.90000109.1
815V30.8Very low33Very low141 Ų141123.7 Ų123.786%0.85575%0.75SS**  70.7139.5100.8177.70000115.2
816P37.7Very low32.5Very low123 Ų123121.9 Ų121.980%0.79974%0.739SS**  trans-123.4170.2-146.643.3-31.4000117.4
817S31.8Very low32.7Very low110 Ų110128.2 Ų128.277%0.76975%0.751SS**  trans-154.4136151.255.40000107.4
818S27.1Very low32Very low113 Ų113126.4 Ų126.479%0.7974%0.741SS**  cis68106.439.6-165.10000114
819V33Very low32.3Very low137 Ų137125.8 Ų125.883%0.8374%0.742SS**  -172.7138.8127.9142.80000109.3
820R32.8Very low32.3Very low208 Ų208124 Ų12479%0.78574%0.736SS**  trans-110.2145175.3-179.7-167.3-167.5-179.54.6108.1
821P38.4Very low32.4Very low125 Ų125127.3 Ų127.381%0.81274%0.737SS**  trans-103.3139.4150.6-10.929.6000111.3
822S30.8Very low32.5Very low81 Ų81129.1 Ų129.157%0.56674%0.739SS**  trans-154.3129.4174.654.30000110.5
823T36.8Very low32.5Very low125 Ų125125 Ų12577%0.76773%0.73SS**  trans-144.4122.7165.944.10000104.4
824S31.6Very low32.6Very low89 Ų89128.1 Ų128.162%0.62273%0.732SS**  59.9133.172.386.30000110.5
825D33.5Very low32.7Very low137 Ų137129 Ų12973%0.73374%0.736SS**  cis-152.3-177.832.7-85.8-77.4000110.4
826S29.9Very low32.9Very low81 Ų81130.7 Ų130.757%0.56674%0.738SS**  cis-177.8-177.8-34.4-83.30000106.7
827Y34.3Very low32.6Very low223 Ų223130.7 Ų130.788%0.87574%0.741SS**  trans73.3121.7-174.9-55.7-87.2000114.3
828S29.3Very low32.7Very low90 Ų90128.6 Ų128.663%0.62974%0.737SS**  cis72127.241-158.80000112.2
829S34.4Very low33Very low99 Ų99129 Ų12969%0.69274%0.739SS**  cis-150.7146.343.5-720000111.4
830Q31.3Very low32.7Very low164 Ų164128 Ų12877%0.76674%0.738SS**  57.1139.983.1-79.9-17696.700114.6
831I32.7Very low32.9Very low135 Ų135123.5 Ų123.569%0.69274%0.735SS**  cis-158.8167.621.710.2168.5000113.3
832L32.8Very low32.4Very low138 Ų138123.2 Ų123.272%0.72373%0.731SS**  trans63.3121.8156.7-87.954.9000119.4
833T30.1Very low32.3Very low104 Ų104124.3 Ų124.364%0.63874%0.739SS**  60.4144.778.974.50000116
834H32.9Very low31.9Very low172 Ų172123.1 Ų123.180%0.79674%0.736SS**  cis-143.6167.917.7-93.9-74.7000112
835P34.1Very low32Very low114 Ų114127.6 Ų127.674%0.7475%0.751SS**  trans-97.2148.9179.537.2-33.1000114.7
836I35.5Very low31.8Very low176 Ų176126.2 Ų126.290%0.90375%0.752SS**  trans-138.2147.1164-63.4-174.8000110.3
837S31.8Very low31.7Very low124 Ų124127.6 Ų127.687%0.86776%0.761SS**  trans-75.3161.3-170.9-46.30000116.5
838G32.9Very low31.5Very low66 Ų66123.5 Ų123.568%0.6876%0.759SS**  trans150.889.4168.600000110.9
839S33.4Very low31.6Very low120 Ų120124.8 Ų124.884%0.83976%0.763SS**  107.4118.568.957.30000111.2
840C28Very low31.5Very low118 Ų118124.3 Ų124.380%0.79776%0.76SS**  trans-66.3171.1165.6-51.20000110.5
841P35.7Very low31.4Very low112 Ų112124.8 Ų124.873%0.72776%0.762SS**  cis-118.2170.835.818.56.8000112.9
842T29.8Very low31.3Very low119 Ų119121.7 Ų121.773%0.7376%0.756SS**  cis73.9143.235.467.70000117.8
843S28.1Very low31.4Very low104 Ų104122.4 Ų122.473%0.72776%0.759SS**  trans75.4140.6158.239.70000122.7
844S28.3Very low31.6Very low101 Ų101123.3 Ų123.371%0.70677%0.765SS**  trans60.3116.3146.752.90000121.6
845I33.2Very low31.9Very low183 Ų183120 Ų12094%0.93876%0.759SS**  trans-115.8116.4140.5-60.5176.5000106.8
846S28.5Very low31.6Very low107 Ų107119.1 Ų119.175%0.74876%0.755SS**  trans-131.3159.3177.349.40000110.6
847S29.8Very low31.6Very low110 Ų110119.5 Ų119.577%0.76975%0.75SS**  trans-87.8131.3-164.1550000115.9
848V30Very low31.4Very low137 Ų137118.2 Ų118.283%0.8374%0.741SS**  trans-146.6127152-162.70000104.8
849V31.4Very low31.3Very low117 Ų117124 Ų12471%0.70975%0.748SS**  cis90.1145.233.2-177.80000112.8
850S30.3Very low31.1Very low90 Ų90122.6 Ų122.663%0.62974%0.737SS**  trans71.1144.4179.8-68.50000116.3
851E31.1Very low31.1Very low173 Ų173125.9 Ų125.981%0.80874%0.741SS**  cis-171.7-178.1-18.3-123168.9104.600108.6
852A30.1Very low30.8Very low70 Ų70124.5 Ų124.558%0.57974%0.739SS**  cis-160.5-168.7-1.300000109.2
853I34.4Very low30.9Very low153 Ų153126.5 Ų126.579%0.78574%0.744SS**  trans79.3104.8157.8-51.8-180000116.2
854V33.5Very low31.3Very low123 Ų123126.6 Ų126.675%0.74574%0.742SS**  cis82.7129.348.4171.40000112.9
855P39.8Very low31.4Very low104 Ų104127.7 Ų127.768%0.67574%0.744SS**  cis-149.3-173.5-19.240.8-20.7000117.4
856S29Very low31.2Very low95 Ų95125.4 Ų125.466%0.66473%0.734SS**  trans87.9137.4133.1-85.70000123
857K34.2Very low31.4Very low183 Ų183128.1 Ų128.180%0.79674%0.736SS**  trans73.3112.6156.6-63.4158.1-172.91750116
858S28.1Very low31.6Very low98 Ų98130.4 Ų130.469%0.68574%0.735SS**  cis78.598.929.892.70000116
859F31Very low32.1Very low188 Ų188128.5 Ų128.583%0.82573%0.725SS**  179.7121.9123.1-111.4-119000106.1
860C28.1Very low32.2Very low90 Ų90128.8 Ų128.861%0.60873%0.728SS**  89.8116.956-73.30000113.7
861Q28.9Very low32.3Very low186 Ų186130.4 Ų130.487%0.86973%0.734SS**  trans68.2148.5151.7-63.8163-1200116.9
862A29.1Very low32.3Very low83 Ų83127.5 Ų127.569%0.68673%0.731SS**  cis-148151.2-10.700000106.8
863L32.1Very low32.4Very low161 Ų161129.6 Ų129.684%0.84374%0.739SS**  51.114765.3-75.5174.1000114.2
864P37.3Very low32.2Very low106 Ų106129 Ų12969%0.68874%0.742SS**  cis-139.9-158.3-6.427.5-0.7000114
865V29.8Very low31.9Very low124 Ų124132.1 Ų132.175%0.75275%0.749SS**  trans82.2110.1158.9-169.50000115.8
866L29.4Very low31.5Very low136 Ų136131.7 Ų131.771%0.71275%0.754SS**  cis90.311737.2-176.984.6000113.8
867M32.7Very low31.5Very low164 Ų164133.4 Ų133.481%0.80876%0.76SS**  trans-156.5154134.7-107.7-65.598.200112.3
868E33.3Very low31.5Very low158 Ų158131 Ų13174%0.73876%0.761SS**  trans-108.6-166.7-171.8-124-160.6122.500109.7
869P39.8Very low31.8Very low96 Ų96135.6 Ų135.662%0.62377%0.769SS**  cis-131.2-175.6-18.235.9-17.6000113.5
870T34.3Very low31.7Very low124 Ų124132.1 Ų132.176%0.76177%0.768SS**  179130.2119.2-71.20000112.6
871T32.6Very low32.1Very low123 Ų123134 Ų13476%0.75578%0.776SS**  trans-44.9163.1169.350.30000116.1
872C30.9Very low32.5Very low112 Ų112130.9 Ų130.976%0.75777%0.772SS**  cis-168.3-166.115.9-130.90000110.3
873P32.6Very low32.6Very low114 Ų114132 Ų13274%0.7478%0.775SS**  -112.9-179.5-85.737.7-19000113.2
874V29.4Very low33Very low142 Ų142131.9 Ų131.986%0.86177%0.774SS**  trans-176154138137.60000110.4
875Q28.4Very low32.6Very low188 Ų188134.9 Ų134.988%0.87978%0.784SS**  trans-86.9137.1-175.6-62.9158.8-33.900112.2
876A30.9Very low32.6Very low94 Ų94134.8 Ų134.878%0.77778%0.784SS**  trans-143.6107.4166.800000110.6V878A876-V878 PolarHBondContact O-N 3.17Å
877T28.8Very low33Very low131 Ų131135.5 Ų135.580%0.80479%0.787SS**  trans-84.5105.8-176.3-53.60000111.2
878V34.9Very low32.7Very low134 Ų134132.7 Ų132.781%0.81278%0.783SS**PPolyproline II helixtrans-88.5121.6168.9-178.50000109.1A876A876-V878 PolarHBondContact O-N 3.17Å
879K33.1Very low32.9Very low194 Ų194132.4 Ų132.484%0.84379%0.786SS**PPolyproline II helixtrans-81.5118.9178.5-64.7178.7179.7178.80110
880S29.6Very low32.6Very low115 Ų115131.9 Ų131.980%0.80478%0.784SS**PPolyproline II helixtrans-79.4158.316746.50000111.7
881V35.9Very low32.4Very low129 Ų129131.3 Ų131.378%0.78278%0.782SS**PPolyproline II helixtrans-62.6142.3-178.9179.40000111.1S883V881-S883 PolarHBondContact O-N 3.24Å; V881-S883 VanDerWaalsContact O-N 3.09Å
882P37.3Very low32.5Very low120 Ų120132.8 Ų132.878%0.77979%0.785SS**  trans-66.5107.2171.627.9-35000110.9
883S32.3Very low32.5Very low107 Ų107133.9 Ų133.975%0.74879%0.788SS**  trans-72.8139.4163.948.60000110.2V881V881-S883 PolarHBondContact O-N 3.24Å; V881-S883 VanDerWaalsContact O-N 3.09Å
884L39Very low32.6Very low158 Ų158132.8 Ų132.883%0.82778%0.783SS**  trans-60.6139.2169.5-90.169.1000110.3T886L884-T886 PolarHBondContact O-N 3.35Å; L884-T886 PolarHBondContact O-OG1 3.34Å
885D30Very low32.6Very low170 Ų170133.2 Ų133.291%0.90979%0.786SS**  trans-6482.1174.2-84.7-48.8000111.3I887D885-I887 PolarHBondContact O-N 3.34Å
886T30.1Very low32.7Very low122 Ų122129.5 Ų129.575%0.74878%0.78SS**  trans-71.7119.1169.5-58.40000107.9L884 S888L884-T886 PolarHBondContact O-N 3.35Å; L884-T886 PolarHBondContact O-OG1 3.34Å; T886-S888 PolarHBondContact O-N 3.17Å
887I36.9Very low32.9Very low151 Ų151129.7 Ų129.777%0.77478%0.776SS**  trans-6598.8178.6-60.7176.7000108.6D885 I889D885-I887 PolarHBondContact O-N 3.34Å; I887-I889 HydrophobicContact CG2-CG1 4.41Å; I887-I889 PolarHBondContact O-N 3.06Å
888S26.1Very low33Very low104 Ų104130.4 Ų130.473%0.72778%0.78SS**  trans-71.591.2-178.9-173.60000110.7T886 S890T886-S888 PolarHBondContact O-N 3.17Å; S888-S890 PolarHBondContact O-N 2.91Å
889I38.2Very low33Very low153 Ų153130.1 Ų130.179%0.78578%0.779SS**  trans-74.8103.1167.9-56.7178.2000106.9I887I887-I889 HydrophobicContact CG2-CG1 4.41Å; I887-I889 PolarHBondContact O-N 3.06Å
890S32.7Very low33.1Very low85 Ų85129.8 Ų129.859%0.59478%0.777SS**  trans-60.1134.1-175.4-48.80000111.9S888 L892S888-S890 PolarHBondContact O-N 2.91Å; S890-L892 PolarHBondContact O-N 2.71Å; S890-L892 VanDerWaalsContact O-N 3.17Å
891P30.5Very low33.3Very low111 Ų111132.7 Ų132.772%0.72178%0.783SS**  trans-69.4113.5-179.227.5-34000110.9T893P891-T893 VanDerWaalsContact C-N 3.3Å; P891-T893 PolarHBondContact O-N 2.62Å
892L35.8Very low33.2Very low155 Ų155134.7 Ų134.781%0.81279%0.788SS**  trans-80.872178.5-78.1171.8000112S890 S894S890-L892 PolarHBondContact O-N 2.71Å; S890-L892 VanDerWaalsContact O-N 3.17Å; L892-S894 PolarHBondContact O-N 3.18Å
893T30.5Very low32.9Very low134 Ų134134.8 Ų134.882%0.82279%0.787SS**  trans-73.468.6173.146.70000112.2P891P891-T893 VanDerWaalsContact C-N 3.3Å; P891-T893 PolarHBondContact O-N 2.62Å
894S34.5Very low33Very low91 Ų91135.4 Ų135.464%0.63679%0.791SS**  trans-156.739.4177.146.30000116.1L892 S896L892-S894 PolarHBondContact O-N 3.18Å; S894-S896 PolarHBondContact O-N 2.94Å
895V28.6Very low32.8Very low152 Ų152135.4 Ų135.492%0.92179%0.792SS**  trans-75.570.5167.9-80.60000112.5
896S30.8Very low33Very low109 Ų109131.4 Ų131.476%0.76278%0.777SS**  trans-149.183.4168.4-173.10000111.5S894S894-S896 PolarHBondContact O-N 2.94Å
897S35.1Very low33.5Very low99 Ų99133.7 Ų133.769%0.69278%0.779SS**  trans171.852.6156.843.90000113.8T899S897-T899 PolarHBondContact O-N 3.13Å
898V30.8Very low33.8Very low146 Ų146135 Ų13589%0.88578%0.782SS**  trans-75.256.8175.8-168.40000112
899T35.6Very low34.3Very low128 Ų128135.2 Ų135.279%0.78578%0.784SS**SBendtrans-167.882.1169.8200000111.2S897S897-T899 PolarHBondContact O-N 3.13Å
900K35.9Very low34.5Very low186 Ų186139.9 Ų139.981%0.80979%0.791SS**  trans-164.3-3.1165.8-113.6146.2-171173.40119.2
901L33.1Very low34.8Very low176 Ų176141.8 Ų141.892%0.92181%0.805SS**SBendtrans-108.433-173.2-90.9164.4000115.7
902L33.6Very low35.2Very low171 Ų171141.5 Ų141.590%0.89581%0.806SS**  trans-127.347.2169.4-77.1175.7000112.2
903T31.4Very low35.8Very low122 Ų122140.1 Ų140.175%0.74880%0.804SS**  trans-130.565.8172.554.30000111.2
904S34.3Very low36.5Very low120 Ų120139 Ų13984%0.83980%0.797SS**  trans-87.7142.2156.650.70000109.1
905N34.8Very low37.4Very low158 Ų158140.3 Ų140.385%0.84580%0.801SS**  trans-66.6160.6-162.9-79.2-18000115.4
906S32.8Very low39.2Very low86 Ų86141.9 Ų141.960%0.60179%0.79SS**  trans-44.5155.5166.7470000112.9
907H41.5Very low41.5Very low170 Ų170139.2 Ų139.279%0.78778%0.775SS**  cis-144.5164.542.7-69.4-98.8000115.7
908Q42.3Very low43.7Very low179 Ų179138.1 Ų138.184%0.83676%0.758SS**  trans67.267.2161.2-69.3-178.12.800119.7
909S37.7Very low46.3Very low109 Ų109138 Ų13876%0.76275%0.746SS**  41112.1119.955.70000121
910R41.6Very low48.7Very low250 Ų250133 Ų13394%0.94372%0.715SS**  trans-157.1113.6133.6-113.7173.6-170.3-158.72.4112S912R910-S912 PolarHBondContact O-N 3Å
911S39.6Very low51Low125 Ų125127.2 Ų127.287%0.87469%0.693SS**  trans-68.6117.9179.9-45.70000111.8
912S38.2Very low53.5Low106 Ų106120.6 Ų120.674%0.74167%0.668SS**  trans-99.198.2176.564.20000111.9R910 T914R910-S912 PolarHBondContact O-N 3Å; S912-T914 PolarHBondContact O-N 3.4Å
913T49.3Very low56Low125 Ų125119 Ų11977%0.76766%0.66SS**  trans-68.399.1176.2-50.70000111T915T913-T915 PolarHBondContact O-N 2.75Å
914T44Very low58.6Low110 Ų110117 Ų11768%0.67565%0.645SS**  trans-85.9102.7171.3-68.60000109.7S912 R916S912-T914 PolarHBondContact O-N 3.4Å; T914-R916 HydrophobicContact CG2-CB 4.41Å; T914-R916 PolarHBondContact O-N 3.09Å; T914-R916 VanDerWaalsContact O-N 3.13Å
915T55Low61.1Low119 Ų119112.6 Ų112.673%0.7361%0.611SS**  trans-79.990171.7-50.10000109.7T913T913-T915 PolarHBondContact O-N 2.75Å
916R66.8Low63.6Low185 Ų185109.7 Ų109.770%0.69860%0.603SS**  trans-102.9131.6167.1-156.4176.1-170.1-1680.3107.9T914T914-R916 HydrophobicContact CG2-CB 4.41Å; T914-R916 PolarHBondContact O-N 3.09Å; T914-R916 VanDerWaalsContact O-N 3.13Å
917A77.9Confident66.2Low54 Ų54112.2 Ų112.245%0.44661%0.606SS.*  trans-87.7139.6172.600000109.7Q945 L947A917-Q945 CarbonylContact C-O 3.56Å; A917-Q945 VanDerWaalsContact CA-O 3.25Å; A917-Q945 WeakPolarHBondContact CA-O 3.45Å; A917-L947 HydrophobicContact CB-CD1 4.21Å
918F81.8Confident68.5Low75 Ų75105.1 Ų105.133%0.32958%0.576SS.*EExtended strand (participates in β ladder)trans-106.5135.1175.6-60.7-90.5000108.9V920 L932 Q945 F946 L947F918-V920 HydrophobicContact CB-CG2 4.36Å; F918-L932 HydrophobicContact CD1-CD1 4.3Å; F918-L932 HydrophobicContact CD2-CD1 4.1Å; F918-L932 HydrophobicContact CE1-CD1 4.16Å; F918-L932 HydrophobicContact CE1-CD2 4.23Å; F918-L932 HydrophobicContact CE2-CD1 3.96Å; F918-L932 HydrophobicContact CG-CD1 4.28Å; F918-L932 HydrophobicContact CZ-CD1 3.98Å; F918-L932 HydrophobicContact CZ-CD2 4.13Å; F918-Q945 PolarHBondContact N-O 3.12Å; F918-F946 HydrophobicContact CB-CD1 3.87Å; F918-F946 HydrophobicContact CB-CE1 4.04Å; F918-F946 HydrophobicContact CG-CE1 4.47Å; F918-F946 CarbonylContact O-C 3.03Å; F918-F946 WeakPolarHBondContact O-CA 3.47Å; F918-L947 PolarHBondContact O-N 3.29Å
919F85.3Confident70.7Confident143 Ų14398 Ų9863%0.62755%0.545SS*.EExtended strand (participates in β ladder)trans-91.2128.6167.4-68.8-88.3000107.8L947 I949F919-L947 WeakPolarHBondContact CA-O 3.23Å; F919-L947 HydrophobicContact CD1-CB 3.61Å; F919-L947 HydrophobicContact CD1-CD1 4.3Å; F919-L947 HydrophobicContact CE1-CB 3.67Å; F919-L947 HydrophobicContact CE1-CD1 3.59Å; F919-L947 HydrophobicContact CE1-CG 4.25Å; F919-L947 HydrophobicContact CE2-CD1 4.27Å; F919-L947 HydrophobicContact CG-CB 4.34Å; F919-L947 HydrophobicContact CZ-CB 4.42Å; F919-L947 HydrophobicContact CZ-CD1 3.57Å; F919-I949 HydrophobicContact CB-CD1 4.03Å; F919-I949 HydrophobicContact CB-CG1 4.46Å; F919-I949 HydrophobicContact CD1-CD1 4.3Å; F919-I949 HydrophobicContact CD1-CG1 4.27Å
920V84.8Confident73.1Confident23 Ų2395.4 Ų95.414%0.13953%0.53CS..EExtended strand (participates in β ladder)trans-144139-178.8-178.30000107.5F918 N924 A928 F946 L947 L948 I949F918-V920 HydrophobicContact CB-CG2 4.36Å; V920-N924 HydrophobicContact CG1-CB 4.01Å; V920-A928 HydrophobicContact CB-CB 4.48Å; V920-A928 HydrophobicContact CG1-CB 3.84Å; V920-A928 HydrophobicContact CG2-CB 3.79Å; V920-F946 HydrophobicContact CB-CD1 4.31Å; V920-F946 HydrophobicContact CG2-CD1 3.63Å; V920-F946 HydrophobicContact CG2-CE1 3.96Å; V920-L947 PolarHBondContact N-O 3.25Å; V920-L948 WeakPolarHBondContact O-CA 3.47Å; V920-I949 PolarHBondContact O-N 3.05Å
921D85.3Confident75.4Confident66 Ų6689.3 Ų89.335%0.35351%0.511SS..EExtended strand (participates in β ladder)trans-64.1148.8174.6-69.4-57.9000111.5D923 N924 I949D921-D923 PolarHBondContact O-N 2.85Å; D921-N924 PolarHBondContact O-N 2.78Å; D921-I949 WeakPolarHBondContact CA-O 3.49Å; D921-I949 WeakPolarHBondContact OD1-CG2 3.42Å
922G85.9Confident77.8Confident37 Ų3785.1 Ų85.138%0.38148%0.478SS..G310 helixtrans-49.7-37.9-174.300000114.5I949G922-I949 PolarHBondContact N-O 2.87Å
923D85.4Confident80.2Confident138 Ų13884.4 Ų84.474%0.73846%0.463SS*.G310 helixtrans-81-23.8-174.5-48.4-61.5000112.8D921D921-D923 PolarHBondContact O-N 2.85Å
924N85.5Confident82.1Confident79 Ų7982.6 Ų82.642%0.42246%0.456SS..G310 helixtrans-99.85-173.2-64.7-17.1000113.9V920 D921 S926 E927 A928V920-N924 HydrophobicContact CG1-CB 4.01Å; D921-N924 PolarHBondContact O-N 2.78Å; N924-S926 VanDerWaalsContact C-N 3.32Å; N924-S926 PolarHBondContact O-N 2.91Å; N924-E927 PolarHBondContact O-N 3Å; N924-A928 PolarHBondContact O-N 2.73Å
925L86.7Confident84.4Confident27 Ų2782.9 Ų82.914%0.14145%0.453CS..Hα-helixtrans-56.5-42.9-177.5179.164.3000112.7A928 V929 F946 L948L925-A928 PolarHBondContact O-N 2.9Å; L925-V929 HydrophobicContact CD1-CG2 4.28Å; L925-V929 VanDerWaalsContact O-CG2 3.31Å; L925-V929 WeakPolarHBondContact O-CG2 3.47Å; L925-V929 PolarHBondContact O-N 3.49Å; L925-F946 HydrophobicContact CD1-CB 3.71Å; L925-F946 HydrophobicContact CD1-CD1 3.79Å; L925-F946 HydrophobicContact CD1-CD2 3.76Å; L925-F946 HydrophobicContact CD1-CE1 4.32Å; L925-F946 HydrophobicContact CD1-CE2 4.29Å; L925-F946 HydrophobicContact CD1-CG 3.46Å; L925-F946 VanDerWaalsContact CD1-CG 3.46Å; L925-L948 HydrophobicContact CB-CD2 4.02Å; L925-L948 HydrophobicContact CD1-CD2 4.23Å; L925-L948 HydrophobicContact CD2-CD2 4.01Å; L925-L948 HydrophobicContact CG-CD2 4.29Å
926S87.8Confident85.9Confident97 Ų9781 Ų8168%0.67844%0.438SS*.Hα-helixtrans-64.3-41.9-177.3-58.80000112.2N924 V929 A930N924-S926 VanDerWaalsContact C-N 3.32Å; N924-S926 PolarHBondContact O-N 2.91Å; S926-V929 PolarHBondContact O-N 3.28Å; S926-A930 WeakPolarHBondContact O-CB 3.44Å; S926-A930 PolarHBondContact O-N 3.4Å
927E88.5Confident87Confident140 Ų14077.8 Ų77.865%0.65444%0.441SS*.Hα-helixtrans-67.4-45.5177.1-173.9179.6-171.200111.1N924 V929 A930 F931N924-E927 PolarHBondContact O-N 3Å; E927-V929 VanDerWaalsContact C-N 3.29Å; E927-V929 PolarHBondContact O-N 3.2Å; E927-A930 PolarHBondContact O-N 3.4Å; E927-A930 VanDerWaalsContact O-N 3.14Å; E927-F931 WeakPolarHBondContact O-CB 3.37Å; E927-F931 PolarHBondContact O-N 2.91Å
928A88.2Confident87.4Confident20 Ų2084.5 Ų84.517%0.16546%0.46CS..Hα-helixtrans-61.8-35.3177.100000112.8V920 N924 L925 L932 F946V920-A928 HydrophobicContact CB-CB 4.48Å; V920-A928 HydrophobicContact CG1-CB 3.84Å; V920-A928 HydrophobicContact CG2-CB 3.79Å; N924-A928 PolarHBondContact O-N 2.73Å; L925-A928 PolarHBondContact O-N 2.9Å; A928-L932 WeakPolarHBondContact O-CB 3.21Å; A928-L932 WeakPolarHBondContact O-CD1 3.37Å; A928-L932 VanDerWaalsContact O-CG 3.29Å; A928-L932 WeakPolarHBondContact O-CG 3.34Å; A928-L932 PolarHBondContact O-N 2.76Å; A928-L932 VanDerWaalsContact O-N 3.13Å; A928-F946 HydrophobicContact CB-CE1 4.03Å
929V88.7Confident87.4Confident31 Ų3182.6 Ų82.619%0.18846%0.458CS..Hα-helixtrans-66.6-48.7171.7169.30000111L925 S926 E927 F931 L932 Q933 F946L925-V929 HydrophobicContact CD1-CG2 4.28Å; L925-V929 VanDerWaalsContact O-CG2 3.31Å; L925-V929 WeakPolarHBondContact O-CG2 3.47Å; L925-V929 PolarHBondContact O-N 3.49Å; S926-V929 PolarHBondContact O-N 3.28Å; E927-V929 VanDerWaalsContact C-N 3.29Å; E927-V929 PolarHBondContact O-N 3.2Å; V929-F931 PolarHBondContact O-N 3.29Å; V929-L932 PolarHBondContact O-N 3.38Å; V929-Q933 HydrophobicContact CG1-CG 4.42Å; V929-Q933 WeakPolarHBondContact O-CB 3.35Å; V929-Q933 VanDerWaalsContact O-CG 3.29Å; V929-Q933 WeakPolarHBondContact O-CG 3.48Å; V929-Q933 PolarHBondContact O-N 3.21Å; V929-F946 HydrophobicContact CG2-CD2 4.39Å; V929-F946 HydrophobicContact CG2-CE2 3.53Å; V929-F946 HydrophobicContact CG2-CZ 3.62Å
930A88.6Confident87.1Confident53 Ų5382 Ų8244%0.43847%0.467SS..Hα-helixtrans-62.1-42.1-179.600000112.5S926 E927 Q933 S934S926-A930 WeakPolarHBondContact O-CB 3.44Å; S926-A930 PolarHBondContact O-N 3.4Å; E927-A930 PolarHBondContact O-N 3.4Å; E927-A930 VanDerWaalsContact O-N 3.14Å; A930-Q933 PolarHBondContact O-N 2.93Å; A930-S934 PolarHBondContact O-N 3.05Å
931F89.9Confident86.7Confident123 Ų12382.4 Ų82.454%0.53947%0.467SS..Hα-helixtrans-64.9-44.3176.4178.8-104.1000112.6E927 V929 Q933 S934 L935E927-F931 WeakPolarHBondContact O-CB 3.37Å; E927-F931 PolarHBondContact O-N 2.91Å; V929-F931 PolarHBondContact O-N 3.29Å; F931-Q933 VanDerWaalsContact C-N 3.29Å; F931-Q933 PolarHBondContact O-N 3.04Å; F931-S934 PolarHBondContact O-N 3.29Å; F931-S934 PolarHBondContact O-OG 3.45Å; F931-L935 HydrophobicContact CD1-CD1 4.04Å; F931-L935 HydrophobicContact CE1-CD1 3.52Å; F931-L935 HydrophobicContact CE1-CG 4.4Å; F931-L935 HydrophobicContact CE2-CD1 4.44Å; F931-L935 HydrophobicContact CZ-CD1 3.75Å; F931-L935 HydrophobicContact CZ-CG 4.3Å; F931-L935 WeakPolarHBondContact O-CG 3.45Å; F931-L935 PolarHBondContact O-N 3.4Å; F931-L935 VanDerWaalsContact O-N 3.11Å
932L89.8Confident86.5Confident36 Ų3682.5 Ų82.519%0.18847%0.471CS..Hα-helixtrans-68.6-29.7176.4-71.6170.3000112.1F918 A928 V929 N936 I941 F946F918-L932 HydrophobicContact CD1-CD1 4.3Å; F918-L932 HydrophobicContact CD2-CD1 4.1Å; F918-L932 HydrophobicContact CE1-CD1 4.16Å; F918-L932 HydrophobicContact CE1-CD2 4.23Å; F918-L932 HydrophobicContact CE2-CD1 3.96Å; F918-L932 HydrophobicContact CG-CD1 4.28Å; F918-L932 HydrophobicContact CZ-CD1 3.98Å; F918-L932 HydrophobicContact CZ-CD2 4.13Å; A928-L932 WeakPolarHBondContact O-CB 3.21Å; A928-L932 WeakPolarHBondContact O-CD1 3.37Å; A928-L932 VanDerWaalsContact O-CG 3.29Å; A928-L932 WeakPolarHBondContact O-CG 3.34Å; A928-L932 PolarHBondContact O-N 2.76Å; A928-L932 VanDerWaalsContact O-N 3.13Å; V929-L932 PolarHBondContact O-N 3.38Å; L932-N936 PolarHBondContact O-N 3.27Å; L932-I941 HydrophobicContact CB-CD1 3.53Å; L932-I941 HydrophobicContact CB-CG1 4.3Å; L932-I941 WeakPolarHBondContact O-CD1 3.38Å; L932-F946 HydrophobicContact CD1-CE1 4.03Å; L932-F946 HydrophobicContact CD1-CZ 3.88Å
933Q88.4Confident86Confident92 Ų9288 Ų8843%0.4349%0.486SS..Hα-helixtrans-73.2-37.4172.8-75.3177-7.700112.8V929 A930 F931 N936 P937 I941V929-Q933 HydrophobicContact CG1-CG 4.42Å; V929-Q933 WeakPolarHBondContact O-CB 3.35Å; V929-Q933 VanDerWaalsContact O-CG 3.29Å; V929-Q933 WeakPolarHBondContact O-CG 3.48Å; V929-Q933 PolarHBondContact O-N 3.21Å; A930-Q933 PolarHBondContact O-N 2.93Å; F931-Q933 VanDerWaalsContact C-N 3.29Å; F931-Q933 PolarHBondContact O-N 3.04Å; Q933-N936 CarbonylContact O-C 3.54Å; Q933-N936 PolarHBondContact O-N 3.27Å; Q933-P937 VanDerWaalsContact O-CA 3.32Å; Q933-P937 WeakPolarHBondContact O-CA 3.47Å; Q933-I941 HydrophobicContact CB-CD1 4.47Å; Q933-I941 HydrophobicContact CG-CD1 3.76Å
934S90.5Very high85.7Confident87 Ų8790.2 Ų90.261%0.60849%0.492SS*.Hα-helixtrans-69.3-36.9177.269.80000112.2A930 F931 N936A930-S934 PolarHBondContact O-N 3.05Å; F931-S934 PolarHBondContact O-N 3.29Å; F931-S934 PolarHBondContact O-OG 3.45Å; S934-N936 VanDerWaalsContact C-N 3.27Å; S934-N936 PolarHBondContact O-N 2.95Å
935L90.7Very high85.5Confident116 Ų11688.3 Ų88.361%0.60748%0.481SS*.Hα-helixtrans-63.5-28.6172.1-72.7177.3000113.5F931F931-L935 HydrophobicContact CD1-CD1 4.04Å; F931-L935 HydrophobicContact CE1-CD1 3.52Å; F931-L935 HydrophobicContact CE1-CG 4.4Å; F931-L935 HydrophobicContact CE2-CD1 4.44Å; F931-L935 HydrophobicContact CZ-CD1 3.75Å; F931-L935 HydrophobicContact CZ-CG 4.3Å; F931-L935 WeakPolarHBondContact O-CG 3.45Å; F931-L935 PolarHBondContact O-N 3.4Å; F931-L935 VanDerWaalsContact O-N 3.11Å
936N87.5Confident85.3Confident80 Ų8087.8 Ų87.843%0.42848%0.478SS..  trans-154.192.1175.5-172.8-12.4000111.8L932 Q933 S934 K938 A939L932-N936 PolarHBondContact O-N 3.27Å; Q933-N936 CarbonylContact O-C 3.54Å; Q933-N936 PolarHBondContact O-N 3.27Å; S934-N936 VanDerWaalsContact C-N 3.27Å; S934-N936 PolarHBondContact O-N 2.95Å; N936-K938 PolarHBondContact O-N 3.36Å; N936-K938 PolarHBondContact OD1-N 3.35Å; N936-K938 VanDerWaalsContact OD1-N 3.07Å; N936-A939 HydrophobicContact CB-CB 3.9Å; N936-A939 WeakPolarHBondContact O-CB 3.48Å; N936-A939 PolarHBondContact O-N 2.91Å; N936-A939 PolarHBondContact OD1-N 2.91Å
937P89.3Confident85Confident117 Ų11787.5 Ų87.576%0.7647%0.468SS*.THydrogen-bonded Turntrans-68.80.8-17926.3-35.1000114.2Q933Q933-P937 VanDerWaalsContact O-CA 3.32Å; Q933-P937 WeakPolarHBondContact O-CA 3.47Å
938K87.3Confident84.7Confident194 Ų19485.6 Ų85.684%0.84346%0.461SS*.THydrogen-bonded Turntrans-103.6-0.3171-61.8-178.8-179.6177.70112.8N936N936-K938 PolarHBondContact O-N 3.36Å; N936-K938 PolarHBondContact OD1-N 3.35Å; N936-K938 VanDerWaalsContact OD1-N 3.07Å
939A80.3Confident84.3Confident35 Ų3588.2 Ų88.229%0.28947%0.472SS..  trans-86.8110.2175.900000110.8N936 I941N936-A939 HydrophobicContact CB-CB 3.9Å; N936-A939 WeakPolarHBondContact O-CB 3.48Å; N936-A939 PolarHBondContact O-N 2.91Å; N936-A939 PolarHBondContact OD1-N 2.91Å; A939-I941 HydrophobicContact CB-CD1 4.07Å; A939-I941 HydrophobicContact CB-CG1 4.22Å; A939-I941 PolarHBondContact O-N 2.98Å
940T79.2Confident83.4Confident131 Ų13191.1 Ų91.180%0.80449%0.491SS*.  trans-74.274.6171.339.90000111
941I78Confident81.8Confident31 Ų3189.4 Ų89.416%0.15948%0.479CS..  trans-66.7129.5173.2-64.5136.8000108.8L932 Q933 A939 F946L932-I941 HydrophobicContact CB-CD1 3.53Å; L932-I941 HydrophobicContact CB-CG1 4.3Å; L932-I941 WeakPolarHBondContact O-CD1 3.38Å; Q933-I941 HydrophobicContact CB-CD1 4.47Å; Q933-I941 HydrophobicContact CG-CD1 3.76Å; A939-I941 HydrophobicContact CB-CD1 4.07Å; A939-I941 HydrophobicContact CB-CG1 4.22Å; A939-I941 PolarHBondContact O-N 2.98Å; I941-F946 HydrophobicContact CG2-CE2 3.54Å; I941-F946 HydrophobicContact CG2-CZ 3.83Å
942T81.2Confident80.3Confident68 Ų6888.1 Ų88.142%0.41749%0.491SS..  trans-117.9147-178.7540000109.7Q944 Q945T942-Q944 PolarHBondContact O-N 3.2Å; T942-Q945 WeakPolarHBondContact O-CB 3.45Å; T942-Q945 PolarHBondContact O-N 3.04Å
943Q75.3Confident78.8Confident152 Ų15294.2 Ų94.271%0.7152%0.524SS*.G310 helixtrans-54.3-26.2177.5-72.7177.6-2000113Q945 F946Q943-Q945 PolarHBondContact O-N 3.36Å; Q943-Q945 VanDerWaalsContact O-N 3.15Å; Q943-F946 PolarHBondContact O-N 2.97Å
944Q78.5Confident77.3Confident186 Ų18699.5 Ų99.587%0.86955%0.545SS*.G310 helixtrans-64.9-11.2175-60-178.6800114.5T942T942-Q944 PolarHBondContact O-N 3.2Å
945Q80.6Confident74.9Confident38 Ų3897.9 Ų97.918%0.17853%0.534CS..G310 helixtrans-89.5-4.1173.9-67.9167.5-40.900112.9A917 F918 T942 Q943A917-Q945 CarbonylContact C-O 3.56Å; A917-Q945 VanDerWaalsContact CA-O 3.25Å; A917-Q945 WeakPolarHBondContact CA-O 3.45Å; F918-Q945 PolarHBondContact N-O 3.12Å; T942-Q945 WeakPolarHBondContact O-CB 3.45Å; T942-Q945 PolarHBondContact O-N 3.04Å; Q943-Q945 PolarHBondContact O-N 3.36Å; Q943-Q945 VanDerWaalsContact O-N 3.15Å
946F82.5Confident72.6Confident17 Ų17101.5 Ų101.58%0.07555%0.548CS..EExtended strand (participates in β ladder)trans-106.4135.4177.6-61.2-88.9000111.5F918 V920 L925 A928 V929 L932 I941 Q943F918-F946 HydrophobicContact CB-CD1 3.87Å; F918-F946 HydrophobicContact CB-CE1 4.04Å; F918-F946 HydrophobicContact CG-CE1 4.47Å; F918-F946 CarbonylContact O-C 3.03Å; F918-F946 WeakPolarHBondContact O-CA 3.47Å; V920-F946 HydrophobicContact CB-CD1 4.31Å; V920-F946 HydrophobicContact CG2-CD1 3.63Å; V920-F946 HydrophobicContact CG2-CE1 3.96Å; L925-F946 HydrophobicContact CD1-CB 3.71Å; L925-F946 HydrophobicContact CD1-CD1 3.79Å; L925-F946 HydrophobicContact CD1-CD2 3.76Å; L925-F946 HydrophobicContact CD1-CE1 4.32Å; L925-F946 HydrophobicContact CD1-CE2 4.29Å; L925-F946 HydrophobicContact CD1-CG 3.46Å; L925-F946 VanDerWaalsContact CD1-CG 3.46Å; A928-F946 HydrophobicContact CB-CE1 4.03Å; V929-F946 HydrophobicContact CG2-CD2 4.39Å; V929-F946 HydrophobicContact CG2-CE2 3.53Å; V929-F946 HydrophobicContact CG2-CZ 3.62Å; L932-F946 HydrophobicContact CD1-CE1 4.03Å; L932-F946 HydrophobicContact CD1-CZ 3.88Å; I941-F946 HydrophobicContact CG2-CE2 3.54Å; I941-F946 HydrophobicContact CG2-CZ 3.83Å; Q943-F946 PolarHBondContact O-N 2.97Å
947L82.4Confident70.3Confident90 Ų90104.8 Ų104.847%0.47156%0.562SS.*EExtended strand (participates in β ladder)trans-105.1102.5167.3-76.6165.5000107.4A917 F918 F919 V920 I949A917-L947 HydrophobicContact CB-CD1 4.21Å; F918-L947 PolarHBondContact O-N 3.29Å; F919-L947 WeakPolarHBondContact CA-O 3.23Å; F919-L947 HydrophobicContact CD1-CB 3.61Å; F919-L947 HydrophobicContact CD1-CD1 4.3Å; F919-L947 HydrophobicContact CE1-CB 3.67Å; F919-L947 HydrophobicContact CE1-CD1 3.59Å; F919-L947 HydrophobicContact CE1-CG 4.25Å; F919-L947 HydrophobicContact CE2-CD1 4.27Å; F919-L947 HydrophobicContact CG-CB 4.34Å; F919-L947 HydrophobicContact CZ-CB 4.42Å; F919-L947 HydrophobicContact CZ-CD1 3.57Å; V920-L947 PolarHBondContact N-O 3.25Å; L947-I949 PolarHBondContact O-N 2.98Å
948L81.6Confident67.8Low100 Ų100105.9 Ų105.952%0.52456%0.561SS.*EExtended strand (participates in β ladder)trans-67.4121.7-178.8-69.8161.8000110.3V920 L925V920-L948 WeakPolarHBondContact O-CA 3.47Å; L925-L948 HydrophobicContact CB-CD2 4.02Å; L925-L948 HydrophobicContact CD1-CD2 4.23Å; L925-L948 HydrophobicContact CD2-CD2 4.01Å; L925-L948 HydrophobicContact CG-CD2 4.29Å
949I79.9Confident65.4Low76 Ų76104 Ų10439%0.3956%0.559SS.*EExtended strand (participates in β ladder)trans-87125.9167.1-62.1-178.8000107.5F919 V920 D921 G922 L947 G951F919-I949 HydrophobicContact CB-CD1 4.03Å; F919-I949 HydrophobicContact CB-CG1 4.46Å; F919-I949 HydrophobicContact CD1-CD1 4.3Å; F919-I949 HydrophobicContact CD1-CG1 4.27Å; V920-I949 PolarHBondContact O-N 3.05Å; D921-I949 WeakPolarHBondContact CA-O 3.49Å; D921-I949 WeakPolarHBondContact OD1-CG2 3.42Å; G922-I949 PolarHBondContact N-O 2.87Å; L947-I949 PolarHBondContact O-N 2.98Å; I949-G951 PolarHBondContact O-N 2.81Å
950P69.7Low63.1Low91 Ų91107.3 Ų107.359%0.59158%0.579SS**  trans-68.4112.9172.5-17.431.5000109.6S955P950-S955 PolarHBondContact O-OG 3.01Å
951G55.7Low61Low17 Ų17112.5 Ų112.518%0.17558%0.584CS.*  trans-50.2142.9-17400000113I949 N953 K954 S955I949-G951 PolarHBondContact O-N 2.81Å; G951-N953 PolarHBondContact O-N 3.34Å; G951-K954 PolarHBondContact O-N 3.11Å; G951-S955 PolarHBondContact O-OG 3.31Å
952A57.1Low59Low96 Ų96114.9 Ų114.979%0.79361%0.608SS**G310 helixtrans-52.3-26.9-16700000114.7K954 S955A952-K954 PolarHBondContact O-N 3.08Å; A952-K954 VanDerWaalsContact O-N 3.11Å; A952-S955 WeakPolarHBondContact CA-OG 3.4Å
953N59.8Low56.8Low165 Ų165117.4 Ų117.488%0.88263%0.625SS**G310 helixtrans-69.4-2.6-179.7-142.4-9.1000114.4G951G951-N953 PolarHBondContact O-N 3.34Å
954K56Low55.4Low202 Ų202116 Ų11688%0.87863%0.627SS**G310 helixtrans-136.43177.9-66.6-178.2-178.4167.40115G951 A952G951-K954 PolarHBondContact O-N 3.11Å; A952-K954 PolarHBondContact O-N 3.08Å; A952-K954 VanDerWaalsContact O-N 3.11Å
955S41.4Very low53.4Low53 Ų53113.7 Ų113.737%0.37163%0.626SS.*  trans-112.576-170.540.70000113.7P950 G951 A952 M957P950-S955 PolarHBondContact O-OG 3.01Å; G951-S955 PolarHBondContact O-OG 3.31Å; A952-S955 WeakPolarHBondContact CA-OG 3.4Å; S955-M957 PolarHBondContact O-N 3.3Å
956Q41.6Very low51.1Low192 Ų192116.9 Ų116.990%0.89765%0.651SS**  trans-68.759.5163.3-70-170.40.400111.9I958Q956-I958 PolarHBondContact O-N 3.1Å
957M38.2Very low48.9Very low149 Ų149121.5 Ų121.573%0.73469%0.686SS**  trans-87.890.2175.3-165.4-179.573.400109.9S955 L959S955-M957 PolarHBondContact O-N 3.3Å; M957-L959 HydrophobicContact CE-CD1 4.42Å; M957-L959 HydrophobicContact CE-CG 4.36Å; M957-L959 PolarHBondContact O-N 2.84Å
958I37.8Very low46.6Very low141 Ų141122.5 Ų122.572%0.72370%0.7SS**  trans-62.3103177.6-53.5177000109.4Q956 C960Q956-I958 PolarHBondContact O-N 3.1Å; I958-C960 PolarHBondContact O-N 3.22Å
959L36.2Very low44.4Very low154 Ų154125.7 Ų125.781%0.80671%0.713SS**  trans-75.375.4172.1-104.8164000109.5M957 R961M957-L959 HydrophobicContact CE-CD1 4.42Å; M957-L959 HydrophobicContact CE-CG 4.36Å; M957-L959 PolarHBondContact O-N 2.84Å; L959-R961 PolarHBondContact O-N 3.31Å
960C32.1Very low42.3Very low105 Ų105129.3 Ų129.371%0.70973%0.731SS**  trans-54109.9175.7-66.70000110.3I958 A962I958-C960 PolarHBondContact O-N 3.22Å; C960-A962 PolarHBondContact O-N 3.29Å
961R35.6Very low40.6Very low239 Ų239133.9 Ų133.990%0.90275%0.747SS**PPolyproline II helixtrans-59.8127.8173.2-163.7178.3-169.6115.9-5108L959L959-R961 PolarHBondContact O-N 3.31Å
962A35.4Very low39.6Very low81 Ų81138.8 Ų138.867%0.66978%0.778SS**PPolyproline II helixtrans-57.9134.4-179.100000110.2C960 V964C960-A962 PolarHBondContact O-N 3.29Å; A962-V964 PolarHBondContact O-N 3.5Å
963P36.7Very low38.3Very low121 Ų121139 Ų13979%0.78677%0.774SS**PPolyproline II helixtrans-63.8132.4179.826.2-33.8000110T965P963-T965 PolarHBondContact O-N 2.93Å
964V43.9Very low37.2Very low124 Ų124137.7 Ų137.775%0.75277%0.772SS**PPolyproline II helixtrans-73.8117.7174.7-179.50000108.1A962 C966A962-V964 PolarHBondContact O-N 3.5Å; V964-C966 VanDerWaalsContact C-N 3.33Å; V964-C966 PolarHBondContact O-N 3.14Å
965T38.1Very low36.1Very low137 Ų137132.1 Ų132.184%0.8476%0.758SS**  trans-76.184.2176.151.90000110.1P963 S967P963-T965 PolarHBondContact O-N 2.93Å; T965-S967 PolarHBondContact O-N 2.72Å
966C32.5Very low35.8Very low104 Ų104136.4 Ų136.470%0.70377%0.774SS**  trans-69.7114.8169.5-63.80000109.5V964V964-C966 VanDerWaalsContact C-N 3.33Å; V964-C966 PolarHBondContact O-N 3.14Å
967S35.3Very low35.5Very low115 Ų115134.5 Ų134.580%0.80477%0.765SS**  trans-81.6117.6170.4-167.30000109T965T965-S967 PolarHBondContact O-N 2.72Å
968S34.3Very low35.4Very low111 Ų111133 Ų13378%0.77676%0.764SS**  trans-97.3105.6-179.1-58.60000111.2
969E34.9Very low35.2Very low167 Ų167131 Ų13178%0.7876%0.763SS**  trans-122.796.3165-71.9-161129.800111.8
970I37.1Very low35Very low152 Ų152130.4 Ų130.478%0.77977%0.766SS**  trans49.295.1132.9-52.7160.3000115.9
971M34Very low35Very low186 Ų186130.1 Ų130.192%0.91677%0.765SS**  trans-75144.7150.2-69.3-177.87000109.9
972S33.5Very low34.9Very low120 Ų120124.7 Ų124.784%0.83976%0.758SS**  trans-99.1149171-168.80000110.5
973S31Very low34.9Very low101 Ų101125.1 Ų125.171%0.70676%0.756SS**  trans-119.5135.6-169.352.10000114.2
974V35.8Very low34.7Very low137 Ų137128.2 Ų128.283%0.8376%0.76SS**  trans-146.3119.4158.8-175.20000105.4
975S33Very low34.2Very low85 Ų85126.4 Ų126.459%0.59476%0.758SS**  cis96.599.514.492.20000116.8
976M35.6Very low34.1Very low144 Ų144126.7 Ų126.771%0.70975%0.754SS**  trans-164.7127.4149.6-87.4-53.39700105.7
977Q34.8Very low34.2Very low151 Ų151128.4 Ų128.471%0.70676%0.756SS**  73144.170.5-71.2-162.511.600113.2
978T35.2Very low34Very low117 Ų117129 Ų12972%0.71875%0.754SS**  cis-165.7163.33.519.50000108
979S33.4Very low33.9Very low100 Ų100129.4 Ų129.470%0.69976%0.757SS**  cis-170.7149.7-4.944.50000111.8
980V32Very low33.7Very low142 Ų142133 Ų13386%0.86176%0.764SS**  trans-136.1108.1151.7-156.30000104.9
981S33Very low33.4Very low99 Ų99130.7 Ų130.769%0.69276%0.761SS**  61.1121.972.5-1410000111.1
982V34Very low33.5Very low125 Ų125130.4 Ų130.476%0.75876%0.755SS**  cis-135.9152.317.5-179.50000111.7
983S34.3Very low33.6Very low90 Ų90131.6 Ų131.663%0.62975%0.752SS**  trans-52.1178.2164.527.70000116.3
984H32.9Very low33.7Very low185 Ų185132.2 Ų132.286%0.85675%0.751SS**  cis-165158.8-11.7-106.6-49.6000108.1
985A34.2Very low33.5Very low86 Ų86128 Ų12871%0.71173%0.728SS**  153.5141.4125.500000116.4
986N35.7Very low33.5Very low143 Ų143130.8 Ų130.877%0.76573%0.731SS**  trans59.8109.1146.6-66.9-8000124.4
987L34.9Very low33.5Very low141 Ų141129.5 Ų129.574%0.73873%0.726SS**  66.294.3119.2-65.5164.5000121.5
988T31.1Very low33.5Very low126 Ų126128.8 Ų128.877%0.77373%0.732SS**  35.8116.1120.258.70000121
989S32.4Very low33.6Very low120 Ų120128.5 Ų128.584%0.83973%0.73SS**  -176.3164.9116.3-162.90000112.3
990W29.8Very low33.7Very low244 Ų244129.5 Ų129.592%0.92474%0.737SS**  trans-82147.6-177.6-61.5-67.5000114.1
991S30.6Very low34Very low103 Ų103127.4 Ų127.472%0.7273%0.729SS**  159.2156.497.162.10000115.6
992K35.7Very low34.3Very low179 Ų179128 Ų12878%0.77873%0.728SS**  trans64.2153.1151-79.1178178.5176.90121.2
993N35.7Very low34.7Very low145 Ų145128.2 Ų128.278%0.77573%0.73SS**  trans67.5160.1154-68.54.5000118.5
994V32.9Very low34.9Very low114 Ų114128.6 Ų128.669%0.69173%0.733SS**  cis174.5106.7-42139.40000105.9
995S32Very low35.4Very low49 Ų49127.1 Ų127.134%0.34374%0.736SS.*  trans74.1155.4137.5820000122.4S733S733-S995 WeakPolarHBondContact OG-CA 3.44Å; S733-S995 PolarHBondContact OG-N 3.17Å
996H33.3Very low35.7Very low143 Ų143126.1 Ų126.166%0.66273%0.734SS**  trans80119.9139-68.9-21.6000117.3
997I35.4Very low35.8Very low118 Ų118126.8 Ų126.861%0.60574%0.738SS**  97.7128.365.4-84.6176.7000110.3T999I997-T999 HydrophobicContact CG2-CG2 3.35Å
998T34.1Very low36.1Very low135 Ų135126.3 Ų126.383%0.82874%0.741SS**  trans-164.6155.9137.538.20000109.3
999T39Very low36.4Very low112 Ų112127.7 Ų127.769%0.68774%0.738SS**  167.4122.5-56.6340000108.8I997I997-T999 HydrophobicContact CG2-CG2 3.35Å
1000S34.6Very low36.6Very low120 Ų120128.7 Ų128.784%0.83973%0.733SS**  trans-164.5139.7154.839.10000107.6
1001S37.9Very low36.9Very low99 Ų99123.4 Ų123.469%0.69273%0.728SS**  cis-159.1154.9-151.60000112.6
1002T40.4Very low36.9Very low111 Ų111124.2 Ų124.268%0.68173%0.728SS**  trans56.9109.5143.454.70000120.7
1003T41.9Very low36.9Very low129 Ų129121.5 Ų121.579%0.79173%0.732SS**  103.1148.892.2490000113.8
1004S39.2Very low36.9Very low98 Ų98120.5 Ų120.569%0.68573%0.731SS**  cis-173.9142.8-17.254.50000112.1
1005V43.2Very low37Very low154 Ų154119.4 Ų119.493%0.93373%0.728SS**  trans66.1144.1159.3-1800000116.6
1006G40.5Very low37.3Very low65 Ų65126.4 Ų126.467%0.6775%0.753SS**  cis-169-177.11.800000113.7
1007N37.5Very low37.5Very low157 Ų157125.2 Ų125.284%0.8476%0.755SS**  trans-86.8157.2-166.8-59.6-34.7000115.5
1008T39.8Very low38.1Very low132 Ų132125.4 Ų125.481%0.8177%0.765SS**  178157105.630.90000116.2
1009H38.5Very low38.4Very low154 Ų154124.5 Ų124.571%0.71375%0.754SS**  trans-12.6136.8165.7-72.3-106000119.8
1010I36.5Very low38.4Very low142 Ų142125.8 Ų125.873%0.72876%0.757SS**  62.2113.966.8-57.3167.3000113.8
1011T35.6Very low38.7Very low133 Ų133127 Ų12782%0.81676%0.759SS**  179.4154.6123.5-71.10000110.7
1012V31.7Very low38.7Very low120 Ų120127.3 Ų127.373%0.72776%0.762SS**  trans-98.5149.3-178.51750000111.5
1013S34.1Very low38.4Very low121 Ų121129.2 Ų129.285%0.84677%0.767SS**  trans-154.5141.9150.2-81.90000112.5
1014T36Very low38.5Very low125 Ų125128.5 Ų128.577%0.76776%0.764SS**  trans-101.7172.6174.2520000110.2
1015S36.5Very low38.5Very low90 Ų90129.3 Ų129.363%0.62977%0.765SS**  159.4162.4112.756.70000116.5
1016F36.6Very low38.1Very low197 Ų197127 Ų12786%0.86476%0.756SS**  trans80.1148158.4-64.2-62.1000123.3
1017V38.8Very low38.1Very low117 Ų117129.7 Ų129.771%0.70976%0.759SS**  trans-152147.7-168.3172.80000108
1018P47.4Very low38.1Very low123 Ų123127.6 Ų127.680%0.79975%0.752SS**  trans-143.2171.5145.738.6-24.9000114.5
1019N40.2Very low38.1Very low115 Ų115128.6 Ų128.662%0.61575%0.747SS**  -166.9139.5-56.2-122.563.7000110.1
1020D39.1Very low38.1Very low140 Ų140131 Ų13175%0.74975%0.75SS**  trans61.2163.2160.4-48.7-40.9000117.7
1021V41.1Very low38.2Very low144 Ų144131.1 Ų131.187%0.87375%0.752SS**  cis-143.517432.4174.20000112.1
1022S37.8Very low38.2Very low107 Ų107129.4 Ų129.475%0.74875%0.746SS**  trans-109.1171.7-160.458.40000119.2
1023L34.2Very low38.5Very low151 Ų151130.2 Ų130.279%0.79175%0.751SS**  trans-14.3156.6156-109.870.9000119.7
1024P44.3Very low38.6Very low114 Ų114129.2 Ų129.274%0.7475%0.745SS**  -161.4149.669.641.4-18.8000122.8
1025T38.5Very low38.4Very low115 Ų115128.6 Ų128.671%0.70674%0.744SS**  64.7132.4125.4-52.70000127.4
1026S35.7Very low38.1Very low105 Ų105130.6 Ų130.673%0.73475%0.752SS**  trans74162154.968.60000119.5
1027V39.8Very low37.9Very low121 Ų121126.5 Ų126.573%0.73375%0.748SS**  cis-148.9124.822.4171.60000109.7
1028T38.4Very low37.7Very low114 Ų114131.1 Ų131.170%0.69976%0.755SS**  72.1119.894.6-39.30000120
1029E38.6Very low37.1Very low152 Ų152134.6 Ų134.671%0.7176%0.757SS**  trans58.7133.8155.7-83.3-172.4-147.500121.1
1030R39.4Very low36.8Very low205 Ų205137.2 Ų137.277%0.77477%0.766SS**  cis-166.7157.248.2-71.3-166.8173.5149.34.8115.6
1031N38.3Very low36.9Very low144 Ų144135.7 Ų135.777%0.7776%0.764SS**  trans55.7123.3142.7-68.15.4000126
1032S36.7Very low36.7Very low97 Ų97140.2 Ų140.268%0.67877%0.767SS**  81.3107.4126.865.30000123.9
1033T37.4Very low36.5Very low137 Ų137146 Ų14684%0.8477%0.772SS**  trans64.9143.1140.339.40000120.3
1034S36.3Very low36.5Very low101 Ų101143 Ų14371%0.70676%0.764SS**  cis-162.8168.62.840.50000113.4
1035C31.2Very low36.1Very low112 Ų112144.5 Ų144.576%0.75777%0.766SS**  trans72.675.1158.7-62.60000120.5
1036T31.5Very low35.8Very low131 Ų131145.5 Ų145.580%0.80477%0.767SS**  33.5137.8126.952.80000123.8
1037S31.1Very low35.7Very low112 Ų112148.9 Ų148.978%0.78377%0.769SS**  trans82.3102.6148.467.20000120
1038Y34.4Very low35.5Very low214 Ų214153.6 Ų153.684%0.83978%0.775SS**  trans-154.5127.6157.5-108.4-88.9000107.9
1039F35.2Very low35.2Very low195 Ų195152.3 Ų152.386%0.85578%0.776SS**  -180147.8104.1-113.2-76.7000112.1
1040E34.6Very low35.1Very low171 Ų171152.4 Ų152.480%0.79979%0.787SS**  trans-119.7-149.7-175.8-147.6-164.3120.200111
1041P40.1Very low34.8Very low107 Ų107151.4 Ų151.470%0.69579%0.791SS**  trans-101.9168.2-134.241-30.6000115.2
1042Y36.8Very low34.7Very low239 Ų239150.2 Ų150.294%0.93779%0.793SS**  trans-96.7147170.8-101.2-89.1000112.9
1043R35.1Very low34.7Very low228 Ų228150.9 Ų150.986%0.8680%0.797SS**  trans-134.4139.9-178.4-154.4-168.9-160.6-157.97.7110.2
1044S33.6Very low34.8Very low88 Ų88149.6 Ų149.662%0.61579%0.794SS**  trans60.5137147.854.50000123
1045N34.8Very low35Very low146 Ų146151.9 Ų151.978%0.78180%0.798SS**  trans89.7115.3142.1-63.5-2000123
1046N32.4Very low35.4Very low137 Ų137151.4 Ų151.473%0.73380%0.796SS**  trans-2.8142.4139.7-46.2-14.5000119
1047F34Very low35.7Very low176 Ų176149.6 Ų149.677%0.77279%0.789SS**  -179.1171100-114.4-86.3000114.1
1048Y35.4Very low35.8Very low219 Ų219153 Ų15386%0.85979%0.79SS**  trans76.7149.8165.7-73.2-71.5000121.4
1049A32.3Very low36.2Very low88 Ų88148.8 Ų148.873%0.72779%0.789SS**  trans-141.2166.1-177.200000110.2
1050T37.1Very low36.3Very low153 Ų153147.6 Ų147.694%0.93978%0.783SS**  trans-158.6164.3170.4-12.80000111.6
1051Q32.9Very low36.4Very low184 Ų184147.7 Ų147.786%0.8679%0.788SS**  trans-114.3160.5-163.7-59.6168.1-4300114.5
1052C36.8Very low36.2Very low120 Ų120150 Ų15081%0.81179%0.792SS**  trans179120.5141.3-89.40000107.4
1053S36.2Very low36.1Very low110 Ų110147.8 Ų147.877%0.76979%0.787SS**  72.6133.970.1-57.80000114.2
1054S39.6Very low36.2Very low111 Ų111143.2 Ų143.278%0.77679%0.785SS**  cis-176.5168.5-12.746.60000108.4
1055D39Very low36.3Very low149 Ų149144.1 Ų144.180%0.79779%0.791SS**  cis-131.1-118.31.4-154.356000111.7
1056S39.8Very low36.1Very low101 Ų101146.4 Ų146.471%0.70680%0.797SS**  cis-150.8137.31.548.30000112.7
1057S37.5Very low36.1Very low94 Ų94147.2 Ų147.266%0.65780%0.8SS**  trans29.9119.2164.256.80000121.2
1058F34.3Very low36.1Very low183 Ų183147.7 Ų147.780%0.80381%0.805SS**  68147.359.3-72.9-62.8000115.7K1060F1058-K1060 HydrophobicContact CD1-CB 4.45Å
1059P42.3Very low36.3Very low125 Ų125144.5 Ų144.581%0.81280%0.801SS**  cis-133.1-170.62739-19.9000116.5
1060K38.3Very low36.5Very low171 Ų171145.5 Ų145.574%0.74380%0.8SS**  cis170.5113.5-44.3178.4-175.1-179.5-179.40110.6F1058F1058-K1060 HydrophobicContact CD1-CB 4.45Å
1061L35.2Very low36.1Very low173 Ų173150.3 Ų150.391%0.90680%0.801SS**  trans-159.2158.1153.1-138.269.9000114.9
1062M37.5Very low36.2Very low156 Ų156146.4 Ų146.477%0.76879%0.794SS**  trans-49.3149.6-170.5-58.8-56.9-175.500117.3
1063K33.2Very low36.1Very low191 Ų191148.8 Ų148.883%0.8380%0.798SS**  cis91.8103.638.8-102.8-163.4176.6-169.50115.7
1064T38.1Very low36.1Very low133 Ų133150 Ų15082%0.81680%0.801SS**  trans-161.7103.6148.438.80000106.6
1065S35Very low35.7Very low106 Ų106153.8 Ų153.874%0.74180%0.799SS**  83.4114.975.166.90000113.7
1066E30.6Very low35.5Very low195 Ų195152.6 Ų152.691%0.91180%0.802SS**  trans-59.2153.4168.3-68.7166.394.500111.7
1067L33.2Very low35.3Very low154 Ų154156.3 Ų156.381%0.80681%0.806SS**  trans-13392.3171-125.6169.5000110.8I1069L1067-I1069 PolarHBondContact O-N 3.09Å
1068Q33.6Very low35Very low186 Ų186157.7 Ų157.787%0.86982%0.816SS**  trans-76.9110.9176-173.9-18022.300109.2P1070Q1068-P1070 WeakPolarHBondContact O-CD 3.45Å
1069I39.5Very low35.1Very low151 Ų151157.1 Ų157.177%0.77482%0.82SS**  trans-86.7117.2-177.9-59.4177.6000110.3L1067L1067-I1069 PolarHBondContact O-N 3.09Å
1070P35.7Very low34.6Very low109 Ų109157.9 Ų157.971%0.70882%0.817SS**  trans-83.1157.6178.534.4-35.3000112.6Q1068Q1068-P1070 WeakPolarHBondContact O-CD 3.45Å
1071R30.6Very low34.6Very low254 Ų254156.4 Ų156.496%0.95882%0.822SS**  trans-102.7115.3170.8-77.7179.1169.3149.9-4.4111.3
1072S35Very low34.6Very low102 Ų102152.9 Ų152.971%0.71381%0.812SS**  trans-150.3114.3158.352.80000108
1073L34.8Very low34.4Very low170 Ų170150.9 Ų150.989%0.8981%0.813SS**  51.1112.782.8-82.8168.7000113.5
1074V35.7Very low34.6Very low136 Ų136147.2 Ų147.282%0.82481%0.812SS**  -168.2150.2116.4141.90000110.5
1075Y31Very low34.6Very low190 Ų190149 Ų14975%0.74582%0.817SS**  trans-31.4147.6175.7-82.3-109.9000118.4K1077Y1075-K1077 HydrophobicContact CD1-CG 4.36Å
1076S34.9Very low34.5Very low124 Ų124147.9 Ų147.987%0.86782%0.822SS**  -142.9135.7124.1-84.90000111.2
1077K35.9Very low34.8Very low180 Ų180143.8 Ų143.878%0.78381%0.814SS**  trans-74.4146.3-175.5-67.4172.5174.9175.30111.1Y1075Y1075-K1077 HydrophobicContact CD1-CG 4.36Å
1078S30Very low34.7Very low123 Ų123141.1 Ų141.186%0.8681%0.809SS**  trans-66145.1157.8420000110.7
1079L37.4Very low34.6Very low171 Ų171137.1 Ų137.190%0.89580%0.801SS**  trans-131.1146.6171.8-117.4172.5000110.2
1080N31.9Very low34.8Very low140 Ų140136.1 Ų136.175%0.74980%0.804SS**  trans-92.2134-165-170.126.5000111
1081V37.4Very low34.8Very low140 Ų140139.2 Ų139.285%0.84881%0.814SS**  trans-136.1133.7165.8-177.40000108.7
1082S36.4Very low34.8Very low100 Ų100134.4 Ų134.470%0.69981%0.808SS**  trans-86.3164.7-163.5-53.40000114.6
1083S31.7Very low34.9Very low113 Ų113137.3 Ų137.379%0.7981%0.814SS**  trans-61.2145.4172.654.70000114.8
1084S39.2Very low34.9Very low115 Ų115136.3 Ų136.380%0.80481%0.808SS**  trans-143.4136149.559.10000110.3
1085N37.6Very low35Very low171 Ų171138 Ų13891%0.91481%0.811SS**  trans-78.9145.7-178-59.2-37.5000111.7
1086G33.5Very low35.2Very low82 Ų82133.9 Ų133.985%0.84581%0.81SS**  trans-170.1141.1172.400000110.2
1087S35.3Very low35.2Very low108 Ų108136.6 Ų136.676%0.75581%0.808SS**  trans-112.3166.8-163.662.70000115.1
1088S31.8Very low35.9Very low98 Ų98134.2 Ų134.269%0.68581%0.811SS**  trans71.6120.4147.944.40000120.9
1089S31.4Very low36.1Very low103 Ų103136.5 Ų136.572%0.7281%0.806SS**  trans62.1118.8143.858.70000121.7
1090P42.9Very low36Very low129 Ų129133 Ų13384%0.83880%0.802SS**PPolyproline II helixtrans-82.8166.7138.535.5-31.3000111.7
1091L36.8Very low36.2Very low175 Ų175134.5 Ų134.592%0.91681%0.808SS**PPolyproline II helixtrans-96.9158.3-167.1-76.3139.6000115.2
1092N31.4Very low35.9Very low153 Ų153135 Ų13582%0.81880%0.801SS**PPolyproline II helixtrans-81.4141.2171.1-73.1-46.9000112.7
1093I37Very low35.8Very low163 Ų163135.2 Ų135.284%0.83681%0.809SS**  trans-137.994.2148.6-58.7-176.7000106.2
1094L33.6Very low35.8Very low149 Ų149135.4 Ų135.478%0.7881%0.811SS**  67.489.392.9-88.1167.4000115.4
1095I37.4Very low35.6Very low172 Ų172135.1 Ų135.188%0.88281%0.809SS**  trans-131.5142.8140.4-61.6-175.1000107.1
1096S35.7Very low35.1Very low103 Ų103136.1 Ų136.172%0.7281%0.808SS**  trans-100.7136.1-16153.60000115.4
1097H34.3Very low35.1Very low181 Ų181138.7 Ų138.784%0.83881%0.812SS**  trans-98.3139.6159.3-69.1-83.9000111.1K1099H1097-K1099 PolarHBondContact O-N 3.2Å
1098P50.7Low34.9Very low129 Ų129138 Ų13884%0.83881%0.812SS**  trans-79106.5162.331.2-30.2000110.3
1099K34.4Very low35.3Very low172 Ų172139 Ų13975%0.74882%0.817SS**  trans-75.4143.8163.1-98.6-166.1172.2-167.90109.7H1097 E1102H1097-K1099 PolarHBondContact O-N 3.2Å; K1099-E1102 IonicContact NZ-OE2 3.61Å; K1099-E1102 PolarHBondContact NZ-OE2 2.91Å
1100A35.8Very low35.3Very low98 Ų98141.8 Ų141.881%0.8182%0.823SS**  trans-133.2110.6160.200000109.7
1101L36.6Very low34.6Very low170 Ų170142.9 Ų142.989%0.8982%0.821SS**  trans36.6112.6171.4-87.763.7000119.8
1102E29.6Very low34.3Very low150 Ų150143.4 Ų143.470%0.70182%0.818SS**  trans-68.8149.3142.9-70148.296.800110.4K1099K1099-E1102 IonicContact NZ-OE2 3.61Å; K1099-E1102 PolarHBondContact NZ-OE2 2.91Å
1103A35.9Very low34.3Very low105 Ų105141.7 Ų141.787%0.86881%0.813SS**  trans-145.6119.916000000108.7
1104S30.4Very low34.2Very low117 Ų117139 Ų13982%0.81880%0.804SS**  trans-112.2126.2-165.154.80000113.7
1105S34.5Very low34.3Very low110 Ų110140.4 Ų140.477%0.76980%0.804SS**  trans-172.6118.1155.653.60000106.8
1106E28.8Very low33.9Very low191 Ų191137.5 Ų137.589%0.89380%0.799SS**  47.979.955.5-65.5-156.7135.100113.6
1107C32.8Very low33.8Very low137 Ų137138.8 Ų138.893%0.92680%0.802SS**  trans-172.1122.8133.1-110.40000112.1
1108A31.1Very low33.6Very low93 Ų93135 Ų13577%0.76980%0.796SS**  trans-120.9174.3159.600000107.6
1109P40.3Very low33Very low119 Ų119134.3 Ų134.377%0.77379%0.794SS**  cis-127154-42.435.2-22.5000112
1110L30.7Very low33Very low162 Ų162131.4 Ų131.485%0.84879%0.793SS**  trans-144.1119.1157.1-85.8158.9000106.1
1111L28.8Very low32.6Very low152 Ų152131.5 Ų131.580%0.79679%0.788SS**  67.6143.468.2-82.3168.8000114.5
1112Q30.5Very low32.4Very low185 Ų185130 Ų13086%0.86477%0.774SS**  trans73140.5-177-55.6-171.8-12.800113.9
1113V32.1Very low32.3Very low117 Ų117129.1 Ų129.171%0.70978%0.778SS**  cis-149.3133.98.493.10000112.9
1114V33.6Very low31.9Very low107 Ų107127.9 Ų127.965%0.64877%0.768SS**  trans47.9107.5140.7173.30000116.8
1115K35.4Very low32.4Very low179 Ų179129.1 Ų129.178%0.77876%0.764SS**  -166.2144.659.2-107.8142.8-170.1174.20108.4
1116S29.3Very low32.5Very low111 Ų111129.9 Ų129.978%0.77677%0.766SS**  cis66.5147.420.3-53.20000115.7
1117V34.5Very low32.5Very low130 Ų130125 Ų12579%0.78875%0.753SS**  trans83.288.9-166.4-175.50000111.4
1118S29.6Very low32.5Very low100 Ų100124.2 Ų124.270%0.69975%0.75SS**  80.7132.360.478.30000114.6P1120S1118-P1120 VanDerWaalsContact O-CD 3.29Å; S1118-P1120 WeakPolarHBondContact O-CD 3.29Å
1119S37.4Very low32.4Very low115 Ų115123.4 Ų123.480%0.80474%0.743SS**  trans-81.3121.6176.5520000113.8
1120P35.5Very low31.9Very low111 Ų111125.2 Ų125.272%0.72175%0.746SS**  trans-87143.6142.134.9-29000108.8S1118S1118-P1120 VanDerWaalsContact O-CD 3.29Å; S1118-P1120 WeakPolarHBondContact O-CD 3.29Å
1121S28Very low31.9Very low100 Ų100122.1 Ų122.170%0.69974%0.738SS**  cis69.388.628.5-156.90000114.8
1122K31.8Very low31.8Very low140 Ų140121.3 Ų121.361%0.60974%0.739SS**  trans72.4177.4143-149.3155.3-1791590117.8E431E431-K1122 WeakPolarHBondContact OE2-CE 3.47Å; E431-K1122 IonicContact OE2-NZ 2.66Å; E431-K1122 PolarHBondContact OE2-NZ 2.89Å
1123V27.2Very low31.7Very low130 Ų130117.1 Ų117.179%0.78873%0.73SS**  trans93.3104.3169.8-171.40000118.1
1124A26.9Very low31.4Very low79 Ų79117 Ų11765%0.65373%0.733SS**  trans60.6121.4143.900000119.3
1125I40.9Very low31.1Very low143 Ų143117.3 Ų117.373%0.73374%0.74SS**  55.6105.553.8-45.6175.4000111.8
1126P36.9Very low30.8Very low126 Ų126113 Ų11382%0.81873%0.732SS**  -110.9135106.1-12.830.5000110.5
1127S29.9Very low30.8Very low88 Ų88117.9 Ų117.962%0.61573%0.734SS**  cis104.414534.9-76.90000111.5
1128S31.3Very low30.6Very low122 Ų122117.8 Ų117.885%0.85373%0.734SS**  trans72.4150.7170.579.90000117.8
1129A30.8Very low30.7Very low75 Ų75117.6 Ų117.662%0.6273%0.732SS**  cis-168.4139.7-29.200000109.8
1130N29.6Very low30.9Very low157 Ų157118 Ų11884%0.8473%0.73SS**  trans60.2176.8167.1-42.1-34.6000113
1131S29.5Very low31.2Very low97 Ų97118.4 Ų118.468%0.67873%0.732SS**  cis-135.3135.5-11.1-37.70000105.2
1132V28.3Very low31.5Very low135 Ų135118.8 Ų118.882%0.81873%0.73SS**  52.8132.185.5-179.50000114.1
1133S27.3Very low31.9Very low98 Ų98117.9 Ų117.969%0.68574%0.736SS**  trans88.9110.5164.6-71.40000120.7
1134C26.7Very low32.4Very low114 Ų114117.9 Ų117.977%0.7773%0.731SS**  81.4133.4117.4-68.10000121.9
1135S27.2Very low32.9Very low113 Ų113120.3 Ų120.379%0.7973%0.733SS**  30.1133.1116.8-84.70000118.9
1136S28.6Very low32.6Very low89 Ų89122.8 Ų122.862%0.62274%0.735SS**  cis178.1179.117.250.40000113.3
1137R29.2Very low32.7Very low214 Ų214126.2 Ų126.281%0.80874%0.737SS**  trans75.9144.8140.7-86.4171166.1-142.2-2.7120
1138T30.6Very low33Very low128 Ų128130.5 Ų130.579%0.78575%0.747SS**  trans65.4145.7149.144.40000118.3
1139S32.3Very low33.4Very low95 Ų95129.5 Ų129.566%0.66474%0.738SS**  cis-168140.3-5.542.40000107.7
1140V41.1Very low33.8Very low125 Ų125132.1 Ų132.176%0.75875%0.746SS**  57.4106.961.3-176.60000112.3
1141P40.3Very low34.3Very low118 Ų118129.1 Ų129.177%0.76674%0.737SS**  -126.714895.73.219.4000113.6
1142T34.8Very low34.6Very low108 Ų108132.7 Ų132.766%0.66374%0.743SS**  78.8125.464.9-44.10000111.4
1143V40.9Very low34.9Very low121 Ų121130.5 Ų130.573%0.73373%0.734SS**  -170123.384.7159.90000111.6
1144L36.5Very low35.5Very low130 Ų130134.9 Ų134.968%0.68174%0.743SS**  trans37.8158.8133.4-59.9150.7000121.7Y1146L1144-Y1146 HydrophobicContact CD2-CD2 4.43Å; L1144-Y1146 HydrophobicContact CD2-CE2 4.34Å
1145N37.9Very low35.8Very low131 Ų131137 Ų13770%0.70175%0.746SS**  cis-159.9133.923.9-1460.3000115.1
1146Y34.3Very low36Very low194 Ų194138.4 Ų138.476%0.76175%0.745SS**  trans10138.4149.4-71.7-108.8000121L1144L1144-Y1146 HydrophobicContact CD2-CD2 4.43Å; L1144-Y1146 HydrophobicContact CD2-CE2 4.34Å
1147K39.4Very low36.1Very low198 Ų198140.3 Ų140.386%0.86175%0.752SS**  -17416659.3-132.4162.6-167.8-179.30115.6
1148Q36.5Very low36.1Very low179 Ų179134.9 Ų134.984%0.83675%0.747SS**  trans-70.2-178.2178.9-112.7178.6-36.300116.3
1149P40.7Very low36.3Very low100 Ų100135.1 Ų135.165%0.64974%0.743SS**  cis-146.6-179-6.934.4-10000119.2
1150V38.6Very low36.3Very low130 Ų130137.8 Ų137.879%0.78875%0.749SS**  trans70.2137.8156-1330000124.5
1151S39.3Very low36.1Very low94 Ų94137.7 Ų137.766%0.65775%0.749SS**  trans89.5113.6138.735.80000124.6
1152H36.7Very low36Very low172 Ų172137.8 Ų137.880%0.79675%0.749SS**  trans65.888.4133.5-66.2-63.3000123.3
1153S34.5Very low35.9Very low90 Ų90135.7 Ų135.763%0.62975%0.749SS**  42.3120.3116.963.30000121.3
1154Q39.2Very low35.9Very low190 Ų190136.2 Ų136.289%0.88876%0.755SS**  -170.6141.897.7-96.9172.130.700112.2
1155L33.3Very low35.8Very low159 Ų159136.1 Ų136.183%0.83277%0.765SS**  trans-105.1167169.3-65.2168.2000108
1156N31.1Very low35.7Very low142 Ų142135.8 Ų135.876%0.75977%0.768SS**  cis-158.913516.1-151.38.4000110
1157V31.1Very low35.7Very low129 Ų129134 Ų13478%0.78277%0.769SS**  trans-150.5133.6178.81780000111.7
1158S30.1Very low35.4Very low99 Ų99130.8 Ų130.869%0.69276%0.762SS**  trans66.4158.9164-70.90000117.8
1159L33.3Very low35.2Very low134 Ų134128.2 Ų128.270%0.70275%0.754SS**  cis-162.2144.7-16.3-110164000108.4
1160L33.1Very low35Very low151 Ų151131.5 Ų131.579%0.79176%0.761SS**  trans61.9174.5160.5-62.6162.5000114.6
1161T36Very low34.8Very low123 Ų123131.1 Ų131.176%0.75576%0.758SS**  cis-137.3-147.814.5-30.80000111
1162P39.4Very low34.8Very low119 Ų119132.5 Ų132.577%0.77377%0.765SS**  trans-102.1-179.5-147.241.6-26.6000115
1163G32Very low34.5Very low65 Ų65130.5 Ų130.567%0.6776%0.759SS**  trans-86.7-149.6170.100000113.5
1164P41.4Very low34.5Very low131 Ų131134.4 Ų134.485%0.85177%0.772SS**  -124.2152.1-67.337.1-30.9000112.3
1165S34.4Very low34.1Very low128 Ų128133.4 Ų133.490%0.89577%0.765SS**  trans-149.2156.1164.9-89.80000111.4
1166V35.7Very low34Very low124 Ų124131.8 Ų131.875%0.75276%0.761SS**  trans-93.4153.4-176.1179.20000110.1
1167I34.8Very low34.1Very low156 Ų156132 Ų13280%0.876%0.757SS**  trans178.1112.1133.8-89.3152.9000110.2
1168N32.7Very low34Very low132 Ų132133.1 Ų133.171%0.70676%0.759SS**  trans44.7138.3139.9-62.410.1000124.6
1169N32.5Very low34.3Very low125 Ų125138.3 Ų138.367%0.66876%0.763SS**  111.2130.9129.5-8930.4000121.8
1170E35.7Very low34.1Very low169 Ų169137.9 Ų137.979%0.7976%0.762SS**  trans80.7138.2148.9-72.6158.5-120.900120.8
1171V34.6Very low34Very low122 Ų122138 Ų13874%0.73976%0.758SS**  trans-138.7141.1-164.3173.90000107.9I1173V1171-I1173 HydrophobicContact CG1-CG1 3.98Å
1172P39.6Very low33.8Very low122 Ų122140.4 Ų140.479%0.79276%0.761SS**  trans-109.1117.6158.132.9-23.7000111.3
1173I30.4Very low33.6Very low131 Ų131140.3 Ų140.367%0.67276%0.76SS**  trans-89.9133.2169.8-66.7173.7000109.1V1171V1171-I1173 HydrophobicContact CG1-CG1 3.98Å
1174L34.8Very low33.5Very low171 Ų171145.2 Ų145.290%0.89577%0.769SS**  trans-122.882.3169.7-86.6170.4000111.8
1175F29.3Very low33Very low170 Ų170149.5 Ų149.575%0.74677%0.769SS**  trans21.1158134.6-76.2-84.3000123.3
1176V31.7Very low32.7Very low124 Ų124148.7 Ų148.775%0.75276%0.763SS**  trans65.1142.7167.1-93.30000117.3
1177Q33.6Very low32.5Very low146 Ų146149 Ų14968%0.68276%0.756SS**  cis-146.51308-16014330.400113.1
1178D29.3Very low32.6Very low153 Ų153147.3 Ų147.382%0.81875%0.753SS**  trans-99150.7157.2-162.8-10.3000109.2
1179R36.2Very low32.7Very low208 Ų208145.1 Ų145.179%0.78575%0.746SS**  trans-14383.1-177.7-114.1-175.2178.1-174.7-0.2112.7
1180N29.6Very low32.7Very low126 Ų126145 Ų14567%0.67475%0.75SS**  trans15.9125.6141.4-81.3-54.9000119.3
1181Q30.9Very low32.5Very low152 Ų152148.4 Ų148.471%0.7176%0.756SS**  56.4127.9128.6-54.9178.145.700120.2
1182H31Very low32.5Very low174 Ų174148.1 Ų148.181%0.80676%0.759SS**  -166.9146.4111.6-98.8-63.3000111.7
1183P35.7Very low32.1Very low117 Ų117147.7 Ų147.776%0.7675%0.754SS**  trans-102.4122.8179.435.6-28.8000112.7
1184I30.2Very low32.2Very low169 Ų169148.9 Ų148.987%0.86776%0.762SS**  trans-133.8147.1177.2-60.5-175.5000112.4
1185R29.7Very low32Very low221 Ų221151 Ų15183%0.83476%0.758SS**  trans-117.5125-162160.4-162.4180-166.83.6111.8
1186S28.7Very low31.9Very low110 Ų110148.5 Ų148.577%0.76976%0.757SS**  trans-161117.1162.141.40000109.5
1187Q31Very low31.8Very low132 Ų132150.2 Ų150.262%0.61776%0.756SS**  84.89766.6-78.7-164.423.800114.6
1188T37.5Very low31.7Very low120 Ų120153.6 Ų153.674%0.73676%0.763SS**  trans42.3-144.5151.454.60000118.3
1189P35.2Very low32Very low86 Ų86152 Ų15256%0.55876%0.763SS**  cis-97.7150.1-5.82.619000113.9H87H87-P1189 HydrophobicContact CB-CB 4.24Å
1190T31.9Very low31.8Very low122 Ų122145.5 Ų145.575%0.74875%0.75SS**  trans-87.7127.9162.2510000111.2
1191R31.7Very low32.2Very low240 Ų240147.9 Ų147.991%0.90676%0.755SS**  trans-146.7124.3156.2-153.7176-165.7-130.22.2111.1
1192S34.8Very low32.7Very low117 Ų117146.2 Ų146.282%0.81875%0.751SS**  trans-97.6137.4-176.751.70000112
1193V32.1Very low32.9Very low112 Ų112144.4 Ų144.468%0.67974%0.743SS**  trans-142.2127.6167.3-169.80000109.8
1194N31.3Very low33Very low156 Ų156148.5 Ų148.583%0.83474%0.744SS**  trans-83.9117.6171.9-79-26.5000111
1195W31Very low33.3Very low215 Ų215145 Ų14581%0.81473%0.731SS**  trans-149114.1151.2-7388.1000104.4
1196V26.7Very low33.7Very low119 Ų119140.5 Ų140.572%0.72172%0.723SS**  50.998.952.8-171.90000111.3
1197Q30.8Very low34.2Very low160 Ų160141.9 Ų141.975%0.74872%0.721SS**  179.3113.5121.6-173.2145.2-64.700113.7
1198R29.7Very low34.6Very low216 Ų216141 Ų14182%0.81573%0.725SS**  trans28.4122.4143.8-57175.9177.5-165.2-3.1121
1199S35.4Very low34.7Very low119 Ų119140.5 Ų140.583%0.83272%0.717SS**  -148.4125112.7-580000106.9
1200S33.8Very low34.8Very low72 Ų72146.5 Ų146.550%0.50373%0.729SS.*  72.7126.651.7-65.80000111.6
1201F37.1Very low35.1Very low177 Ų177146 Ų14678%0.77673%0.731SS**  cis-159.8171.36.9-80.5140.4000106.9
1202D40.7Very low35.2Very low116 Ų116140.7 Ų140.762%0.6273%0.725SS**  cis-175.4175.3-12.7-101.8-20.3000107
1203Q35.1Very low35.4Very low136 Ų136143.3 Ų143.364%0.63673%0.728SS**  cis-169.6-157.6-21.6-170.9162.1121.300106.2
1204Y38.3Very low35.4Very low204 Ų204142.8 Ų142.880%0.873%0.729SS**  trans69.8105.8-177.9-59.6-77.2000114.6
1205T37Very low35.7Very low95 Ų95143.2 Ų143.258%0.58373%0.731SS**  cis74.4141.941.387.30000113.1
1206D37.4Very low36.1Very low126 Ų126139 Ų13967%0.67473%0.731SS**  cis-153.5168.634.1-113.1-51.4000117.6
1207I40.4Very low36.5Very low139 Ų139140.7 Ų140.771%0.71373%0.734SS**  trans40.9135146.5-71.4154.9000120.5
1208T39.2Very low36.7Very low115 Ų115141.1 Ų141.171%0.70674%0.741SS**  cis-160-160.2-24.445.10000105.8
1209D38.4Very low36.8Very low108 Ų108135.2 Ų135.258%0.57873%0.732SS**  cis-160.1-175.70.1-144.9-28.9000111.3
1210R37.9Very low36.6Very low213 Ų213136 Ų13680%0.80473%0.732SS**  trans16.9139.2151.4-73.5147.7-144.1-127.30.5121.4
1211S38.2Very low36.4Very low112 Ų112137 Ų13778%0.78375%0.746SS**  cis-149.9162.525.453.70000114.4
1212T34.2Very low36.1Very low128 Ų128135 Ų13579%0.78575%0.748SS**  trans-150.9134.8-173.251.70000113.2
1213I38.9Very low35.6Very low171 Ų171134.9 Ų134.988%0.87775%0.751SS**  trans-147140.6160.8-54.9-179.5000106
1214S32Very low35.6Very low101 Ų101136.4 Ų136.471%0.70676%0.762SS**  cis145.8116.5-20.7-82.50000107.2
1215L37.7Very low35.2Very low166 Ų166131.9 Ų131.987%0.86976%0.756SS**  trans-77.5163.2177.1-69.6163.6000112
1216P39.5Very low35.1Very low125 Ų125134.1 Ų134.181%0.81277%0.769SS**  trans-125.3167.4139.136.6-27.9000113.7
1217I35.1Very low34.8Very low155 Ų155136.6 Ų136.680%0.79578%0.776SS**  trans-121.9141.8-176.3-62.3159.9000108.4
1218L35.1Very low34.6Very low169 Ų169134.8 Ų134.889%0.88578%0.782SS**  trans179.2175.9156-120.969.1000108.7
1219S31Very low34.2Very low92 Ų92136.1 Ų136.164%0.64379%0.785SS**  -158132.1-71.1-84.40000110.2
1220T30.7Very low34.1Very low135 Ų135138.7 Ų138.783%0.82880%0.799SS**  trans32.4125.1153.950.50000123.7
1221A30.1Very low33.8Very low95 Ų95135.3 Ų135.379%0.78580%0.802SS**  trans71.4163.4143.200000118.1
1222T30.3Very low33.6Very low135 Ų135133.7 Ų133.783%0.82880%0.803SS**  cis-146.5165.511.3-40.10000112.7
1223V30.5Very low33.5Very low112 Ų112136.4 Ų136.468%0.67981%0.807SS**  trans-44.3148.3173.6179.50000116.6T1225V1223-T1225 HydrophobicContact CG1-CG2 4.15Å
1224I35.2Very low33.3Very low169 Ų169138.5 Ų138.587%0.86781%0.81SS**  trans-144142.4133.9-96.9156.8000108.6
1225T30Very low33.3Very low109 Ų109144.3 Ų144.367%0.66982%0.816SS**  trans-125.7150.9-179.845.60000111.5V1223V1223-T1225 HydrophobicContact CG1-CG2 4.15Å
1226T35.9Very low32.9Very low142 Ų142141.5 Ų141.587%0.87181%0.809SS**  trans-142.6139.8157.638.80000110.7
1227H30.2Very low32.7Very low177 Ų177145.7 Ų145.782%0.81982%0.815SS**  trans-99.7154.7174.6-76-110.5000110.9
1228A37.2Very low32.6Very low101 Ų101143.5 Ų143.584%0.83581%0.814SS**  trans-152.4124.9144.900000109.8
1229N30.6Very low32.5Very low143 Ų143144.2 Ų144.277%0.76581%0.812SS**  trans-84.3152.4166.1-67.8-17.1000109.2
1230N35.1Very low33.2Very low163 Ų163145.7 Ų145.787%0.87282%0.82SS**  -165154.1122.8-102.4-23.4000113.2
1231T31.6Very low33.5Very low142 Ų142146.2 Ų146.287%0.87182%0.822SS**  trans-87.6152.2179.844.80000111.9
1232G35.2Very low33.8Very low78 Ų78145.9 Ų145.980%0.80482%0.819SS**  trans-170.8108.6171.300000111.6
1233E30.8Very low34.6Very low185 Ų185145.6 Ų145.686%0.86482%0.82SS**  trans-68.5149167.2-51.6178.7121.100110
1234F35.1Very low34.9Very low214 Ų214146.2 Ų146.294%0.93983%0.829SS**  trans-160.5170.4138.6-104.4-62.8000111.6
1235R32.6Very low35Very low224 Ų224141.5 Ų141.585%0.84582%0.823SS**  trans-102.5151.9-156.7-60.5178.2179.5-177.9-0.8113.9
1236C30.2Very low35.7Very low107 Ų107143.1 Ų143.172%0.72384%0.835SS**  trans31.4134.5140.5-55.30000120.3
1237F34.3Very low35.6Very low212 Ų212141.7 Ų141.793%0.9383%0.83SS**  -166.7-177.7113-101.2-61000112.2
1238S32.9Very low36.1Very low109 Ų109141 Ų14176%0.76283%0.829SS**  trans-105.2171.5-150.4-50.90000116.4
1239H32Very low36.1Very low184 Ų184143 Ų14385%0.85282%0.822SS**  trans-52.8145177.7-62.9-85.5000115.3
1240P46Very low36.6Very low124 Ų124143.2 Ų143.281%0.80582%0.822SS**  trans-86163.1168.435.7-34.7000113.4
1241V38.2Very low36.7Very low146 Ų146139.7 Ų139.789%0.88581%0.81SS**  trans-108160.2179173.20000110.6
1242A37Very low37.1Very low87 Ų87139.3 Ų139.372%0.71980%0.803SS**  trans-69.4154.1-17500000115.4
1243P45.5Very low37.3Very low129 Ų129143.4 Ų143.484%0.83881%0.806SS**  trans-85.2169.4167.836.4-35000112.7
1244S37.3Very low37.7Very low125 Ų125138.3 Ų138.387%0.87480%0.804SS**  trans-152.7164.9-175.8620000114.1
1245G37.6Very low37.8Very low71 Ų71133.9 Ų133.973%0.73280%0.799SS**  trans96.9172.917300000115.4
1246P44.8Very low38.3Very low143 Ų143130.1 Ų130.193%0.92980%0.801SS**  cis-111.6-165.94.841-31000114.2
1247S33.1Very low38.6Very low111 Ų111129.6 Ų129.678%0.77680%0.799SS**  trans-133148.1-168.6171.30000113
1248M41Very low38.8Very low162 Ų162124.4 Ų124.480%0.79879%0.789SS**  trans-161166.5151.6-79.4-148.874.800110.6
1249Q38Very low39.2Very low144 Ų144126.3 Ų126.367%0.67379%0.785SS**  -168.1156.7-62.9-146.2-176.416.800107.8
1250L39.3Very low39.6Very low148 Ų148126.9 Ų126.978%0.77579%0.785SS**  trans70.6150.7165.7-53.7167.1000117.6
1251S38.3Very low39Very low89 Ų89124 Ų12462%0.62278%0.778SS**  cis-168.6175.2-22.557.10000112.7
1252N39.5Very low39.2Very low133 Ų133127.4 Ų127.471%0.71178%0.781SS**  trans82.992.9154.4-65.3-5.4000123
1253N39.3Very low39.2Very low164 Ų164131.6 Ų131.688%0.87779%0.786SS**  54.4130112.5-57.8-5.1000123.7
1254G39.1Very low39.2Very low79 Ų79131.3 Ų131.381%0.81478%0.784SS**  trans-178.3129.5156.700000112
1255S38Very low39.5Very low121 Ų121133.4 Ų133.485%0.84678%0.783SS**  trans-109.1178-166.7-57.10000116
1256V41.8Very low39.4Very low145 Ų145138.4 Ų138.488%0.87979%0.788SS**  trans110.6139.3154.2174.50000116.1
1257S36.6Very low38.9Very low96 Ų96137.1 Ų137.167%0.67178%0.782SS**  cis-174.2172.1-34.5-161.50000110.3
1258S39.4Very low39.2Very low103 Ų103138.1 Ų138.172%0.7278%0.783SS**  trans70.1149.515883.30000117.9
1259H41Very low38.8Very low149 Ų149138.5 Ų138.569%0.6978%0.783SS**  cis-162.1161.3-15-136.4-89.1000111.3
1260F39.9Very low39.1Very low196 Ų196137 Ų13786%0.8679%0.785SS**  trans64.7142.1173.6-53.4-79.4000118.2
1261G34.5Very low39.1Very low62 Ų62134.7 Ų134.764%0.63978%0.782SS**  cis133.1114.1-19.800000116.2
1262F42.2Very low38.9Very low219 Ų219137.6 Ų137.696%0.96179%0.791SS**  trans-171162.8153.2-100.5-63.8000111.5
1263Q36.3Very low39.3Very low175 Ų175136.9 Ų136.982%0.81879%0.793SS**  trans-129.4157.9-178.9-76.3-171.4-9.800112.9
1264P45.9Very low39.4Very low122 Ų122133.8 Ų133.879%0.79279%0.79SS**  trans-90.8157.2166.136.8-33.2000113.2
1265I44.1Very low39.3Very low169 Ų169133.5 Ų133.587%0.86779%0.787SS**  trans-121.6154.8-178-66175.5000110.7
1266Q34.3Very low39.4Very low177 Ų177137.6 Ų137.683%0.82779%0.79SS**  trans-98.5179.5-176.5-66.1-177.2-26.700114.3
1267S35.7Very low39Very low115 Ų115135.3 Ų135.380%0.80478%0.78SS**  trans82157.1158.285.50000116.6
1268V39.1Very low39.1Very low133 Ų133137.7 Ų137.781%0.80679%0.785SS**  cis-138.5163.38.4148.60000111.1
1269Q33.2Very low39Very low170 Ų170139.2 Ų139.279%0.79479%0.785SS**  trans-98.8142.6174.7177.4-1631.900113.4
1270P44.2Very low38.7Very low111 Ų111137.9 Ų137.972%0.72179%0.791SS**  trans-145.6123.4134.230.4-11.9000113.1
1271S38.9Very low38.6Very low100 Ų100134.8 Ų134.870%0.69979%0.788SS**  87.611476.178.50000116.7
1272N33.9Very low39Very low151 Ų151136.1 Ų136.181%0.80779%0.786SS**  trans-27.5158.9160.8-110.9-27.6000117.6
1273P47.6Very low38.7Very low118 Ų118134.2 Ų134.277%0.76678%0.777SS**  -155.1147.967.541-20.2000121.5
1274A40.9Very low38.7Very low98 Ų98133.7 Ų133.781%0.8178%0.779SS**  trans56.7130.6130.700000123.6
1275G37.1Very low38.2Very low73 Ų73133.9 Ų133.975%0.75378%0.784SS**  trans17092.5153.300000117.2
1276K40.2Very low37.8Very low208 Ų208128.8 Ų128.890%0.90477%0.773SS**  trans28140140.6-58.4172.8-173.7176.40119.5
1277S34.3Very low38.2Very low97 Ų97126 Ų12668%0.67877%0.77SS**  cis-176.6165.74.843.60000110.5
1278L39.3Very low38.1Very low146 Ų146126.6 Ų126.676%0.76477%0.769SS**  trans29136.6137.1-52170.5000118.8
1279D35.9Very low37.8Very low134 Ų134124.8 Ų124.872%0.71777%0.768SS**  cis-169.5-17110.9-121.1-23.7000111.6
1280C36.2Very low38Very low121 Ų121123 Ų12382%0.81877%0.769SS**  trans77107160.8-660000120.2
1281T36Very low37.6Very low131 Ų131124.7 Ų124.780%0.80477%0.771SS**  trans-86-163152.2610000109.4
1282P43.5Very low37.5Very low91 Ų91128.4 Ų128.459%0.59178%0.779SS**  cis-135.5-158-10.726.60000114.4
1283F35.9Very low37.6Very low178 Ų178126.1 Ų126.178%0.78178%0.775SS**  trans84.5123.3170.5-53.8-75.9000116.9
1284L37Very low37.9Very low164 Ų164126.4 Ų126.486%0.85978%0.777SS**  cis83.392.242.1-75.9160.7000115.4
1285S35.4Very low38Very low127 Ų127128 Ų12889%0.88878%0.78SS**  -176.8163.6111.6-161.10000110.9
1286G35Very low38.1Very low62 Ų62132.4 Ų132.464%0.63979%0.786SS**  trans-88.2-156.4174.800000113.3
1287P41.9Very low38.5Very low119 Ų119127.8 Ų127.877%0.77378%0.777SS**  cis-146.4-175.132.445.4-26.7000117.4
1288T35.6Very low38.6Very low126 Ų126128 Ų12877%0.77379%0.785SS**  trans64.3115.4151.2-49.80000119.7
1289A31.9Very low38.6Very low96 Ų96127 Ų12779%0.79379%0.785SS**  trans-78.8155.7165.600000112.3
1290T36.3Very low38.8Very low132 Ų132128 Ų12881%0.8179%0.788SS**  trans-127.5131.4170.4-63.30000109.6
1291I36Very low38.9Very low147 Ų147128.6 Ų128.675%0.75478%0.782SS**  trans-88.5140.4-178.1-61.1168.7000109.5
1292M38.1Very low39Very low177 Ų177127.7 Ų127.787%0.87278%0.781SS**  trans-119.7121166.3-74.9-168.46800110.5
1293S35.7Very low38.7Very low104 Ų104130.1 Ų130.173%0.72779%0.785SS**PPolyproline II helixtrans-87.3136.3-177.4-47.70000112.3
1294P53.9Low39.2Very low124 Ų124127.2 Ų127.281%0.80578%0.784SS**PPolyproline II helixtrans-78.4146163.832.6-32.6000111
1295C41.9Very low39.4Very low131 Ų131126.1 Ų126.189%0.88578%0.777SS**PPolyproline II helixtrans-88.9135-178-56.60000112.6
1296L40.8Very low39.6Very low165 Ų165126.1 Ų126.186%0.86477%0.772SS**PPolyproline II helixtrans-85.2147.1170.3-75.7170.3000112.1
1297P47.7Very low39.8Very low111 Ų111129.5 Ų129.572%0.72177%0.774SS**PPolyproline II helixtrans-78.3146177.532.2-34.8000112.3
1298A36.6Very low39.6Very low102 Ų102131.7 Ų131.784%0.84377%0.774SS**PPolyproline II helixtrans-74.7131.1-179.600000112.8
1299V39.8Very low39.7Very low126 Ų126130.6 Ų130.676%0.76477%0.772SS**  trans-109.5121.7170.9177.70000109.3L1301V1299-L1301 PolarHBondContact O-N 3.18Å
1300I39Very low40Very low153 Ų153131.6 Ų131.679%0.78577%0.768SS**  trans-83.8108.1-179.5-59.2171.6000109.1
1301L39Very low40.2Very low134 Ų134130 Ų13070%0.70276%0.762SS**  trans-97.3110.8170.8-85.4170.3000111.2V1299 H1303V1299-L1301 PolarHBondContact O-N 3.18Å; L1301-H1303 PolarHBondContact O-N 3.49Å
1302S37.8Very low40.2Very low112 Ų112129.7 Ų129.778%0.78376%0.762SS**  trans-77.883.4-179.2-56.60000112.2
1303H38.7Very low40.4Very low143 Ų143128.3 Ų128.366%0.66276%0.757SS**  trans-89.1130.7168.9-71-62.6000111.4L1301 I1305L1301-H1303 PolarHBondContact O-N 3.49Å; H1303-I1305 PolarHBondContact O-N 2.66Å
1304P45.4Very low40.8Very low116 Ų116129.9 Ų129.975%0.75376%0.762SS**  trans-74.198.6175.629.9-33.1000110.2T1306P1304-T1306 PolarHBondContact O-N 3.06Å; P1304-T1306 VanDerWaalsContact O-N 3.13Å
1305I41Very low39.8Very low141 Ų141129.3 Ų129.372%0.72376%0.758SS**  trans-76.998.9174.6-54.3179.9000108.9H1303 I1307H1303-I1305 PolarHBondContact O-N 2.66Å; I1305-I1307 VanDerWaalsContact C-N 3.33Å; I1305-I1307 HydrophobicContact CG2-CG1 3.76Å; I1305-I1307 PolarHBondContact O-N 3.27Å
1306T38.8Very low39.4Very low128 Ų128128.3 Ų128.379%0.78575%0.753SS**  trans-71.986.8170.5-51.40000109.7P1304 Q1308P1304-T1306 PolarHBondContact O-N 3.06Å; P1304-T1306 VanDerWaalsContact O-N 3.13Å; T1306-Q1308 PolarHBondContact O-N 3.2Å
1307I39.4Very low39.2Very low133 Ų133129.1 Ų129.168%0.68275%0.752SS**  trans-70.597.3177.6-56.7177.4000109.4I1305 S1309I1305-I1307 VanDerWaalsContact C-N 3.33Å; I1305-I1307 HydrophobicContact CG2-CG1 3.76Å; I1305-I1307 PolarHBondContact O-N 3.27Å; I1307-S1309 PolarHBondContact O-N 2.87Å
1308Q38Very low38.6Very low165 Ų165132.5 Ų132.577%0.77176%0.758SS**  trans-77.4100.8162.8-81.7-172.1-56.500109.6T1306 T1310T1306-Q1308 PolarHBondContact O-N 3.2Å; Q1308-T1310 PolarHBondContact O-N 2.99Å
1309S37.9Very low38.7Very low103 Ų103133.7 Ų133.772%0.7275%0.751SS**  trans-74.785.8173.4-59.70000111.4I1307 S1311I1307-S1309 PolarHBondContact O-N 2.87Å; S1309-S1311 VanDerWaalsContact C-N 3.3Å; S1309-S1311 PolarHBondContact O-N 3.23Å
1310T38.8Very low38.5Very low117 Ų117134 Ų13472%0.71875%0.746SS**  trans-80.469.4176.444.80000112.3Q1308 N1312Q1308-T1310 PolarHBondContact O-N 2.99Å; T1310-N1312 VanDerWaalsContact C-N 3.35Å; T1310-N1312 PolarHBondContact O-N 2.97Å
1311S40.9Very low38.5Very low99 Ų99135.1 Ų135.169%0.69275%0.746SS**  trans-73.982.5175.260.10000111.9S1309 I1313S1309-S1311 VanDerWaalsContact C-N 3.3Å; S1309-S1311 PolarHBondContact O-N 3.23Å; S1311-I1313 PolarHBondContact O-N 2.8Å
1312N36.1Very low38.4Very low139 Ų139134.7 Ų134.774%0.74374%0.744SS**  trans-67.197170.6-83.2-28.5000110.7T1310T1310-N1312 VanDerWaalsContact C-N 3.35Å; T1310-N1312 PolarHBondContact O-N 2.97Å
1313I42.5Very low38.4Very low149 Ų149139.7 Ų139.776%0.76475%0.746SS**  trans-119.3111.7166.5-62.3-178.4000108.5S1311 P1315S1311-I1313 PolarHBondContact O-N 2.8Å; I1313-P1315 WeakPolarHBondContact O-CD 3.34Å
1314T42.3Very low38.5Very low136 Ų136137.3 Ų137.383%0.83475%0.745SS**  trans-73.1124.4-177.5-13.60000111.4
1315P34.6Very low37.9Very low113 Ų113138.7 Ų138.773%0.73475%0.746SS**  trans-91.1123.9168.633-29.2000110.8I1313I1313-P1315 WeakPolarHBondContact O-CD 3.34Å
1316S33.4Very low38.2Very low109 Ų109141 Ų14176%0.76277%0.77SS**  167.9151.7118.757.60000114.3
1317Q35.3Very low38.2Very low182 Ų182141.6 Ų141.685%0.8577%0.769SS**  trans54.7107.2163.7-48.7-160.526.500119.6
1318Q36.3Very low38.1Very low182 Ų182142.1 Ų142.185%0.8577%0.773SS**  -155.1136.7109.2-111.8177.822.800114.4
1319N37.3Very low38.1Very low128 Ų128140.8 Ų140.868%0.68477%0.774SS**  trans31.2114.4153.8-65.5-24.4000123
1320I36.3Very low38.1Very low131 Ų131143 Ų14367%0.67278%0.777SS**  38.2111.4113.5-46.7158.2000117.1
1321F37.8Very low38.1Very low177 Ų177144.6 Ų144.678%0.77678%0.78SS**  -172.5122.4107.2-109.5-72.4000114.5
1322N37.9Very low37.9Very low125 Ų125147.7 Ų147.767%0.66879%0.786SS**  trans41.9132.1147.3-77.9-13.7000124.6
1323R37.7Very low38Very low217 Ų217148.3 Ų148.382%0.81979%0.789SS**  trans83.2104133.6-76.8-177.9179-160-1.3121.2
1324S40.2Very low37.7Very low93 Ų93148.2 Ų148.265%0.6579%0.791SS**  39.2143.510765.40000120.4
1325L34.4Very low37.3Very low146 Ų146149.3 Ų149.376%0.76479%0.788SS**  cis-164.4169.7-2.8-103.4169.3000105.7
1326P46.4Very low37.5Very low188 Ų188152.5 Ų152.5100%1.22179%0.793SS**  -104.9080-16.834.3000115.2

Retrieved 1,326 of 1,326 residues in 140.9 ms (Link to these results)