A0A077ZGJ4_TRITR Loading...

Zf-CCHC domain containing protein

AlphaFold DB , UniProt , Accession A0A077ZGJ4, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 409 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M48.5Very low51.5Low241 Ų241161.7 Ų161.7100%1.18787%0.865SS**  0125.10-140.9162.7179.400106.9
2V51.4Low51.8Low138 Ų138157.3 Ų157.384%0.83686%0.856SS**  trans66.9102.6175.1-161.40000118.3
3R38.6Very low51.8Low244 Ų244156.2 Ų156.292%0.92185%0.849SS**  trans-94.2145.8157.2-79.4173152.8152.1-5.7108.3
4T70.9Confident51.9Low139 Ų139152.9 Ų152.985%0.85384%0.843SS**  trans-146.7132.7147.443.90000111.3
5R44Very low51.4Low245 Ų245154.6 Ų154.693%0.92584%0.843SS**  trans-107.8158.1166-86.4-179.2160.7-151.1-3107.7
6S53Low51.3Low131 Ų131155.2 Ų155.292%0.91684%0.844SS**  trans141.2146.4154.6-67.80000108.2
7G53.4Low51.3Low69 Ų69156.1 Ų156.171%0.71184%0.841SS**  cis-179.1130.63.100000104.9
8K46.1Very low51Low182 Ų182157.9 Ų157.979%0.79184%0.843SS**  51.1118.3107.9-159.8164.3179.1-174.90116.7E10K8-E10 WeakPolarHBondContact CE-OE2 3.26Å; K8-E10 IonicContact NZ-OE2 2.65Å; K8-E10 PolarHBondContact NZ-OE2 2.97Å
9S60Low50.8Low121 Ų121153.8 Ų153.885%0.84684%0.842SS**  trans-156.7139.2148.840.70000111.3
10E44.5Very low50.1Low153 Ų153155.6 Ų155.672%0.71584%0.841SS**  trans-104.8159.3-178.3-66.2164.77300110.2K8K8-E10 WeakPolarHBondContact CE-OE2 3.26Å; K8-E10 IonicContact NZ-OE2 2.65Å; K8-E10 PolarHBondContact NZ-OE2 2.97Å
11S55.9Low50.1Low116 Ų116153.5 Ų153.581%0.81183%0.834SS**  trans163.1148.3157.942.60000107.6
12S55.4Low49.9Very low108 Ų108149.7 Ų149.776%0.75581%0.813SS**  cis-170.4133.8-7.6-80.50000103.8
13D51.1Low49.3Very low144 Ų144147.4 Ų147.477%0.7780%0.803SS**  83.115286.4-142-10.6000115.9
14S54.1Low49.6Very low110 Ų110141.9 Ų141.977%0.76980%0.801SS**  trans98.899.5-174.6670000115.4
15Q44.4Very low48.3Very low178 Ų178142.4 Ų142.483%0.83280%0.798SS**  69.3137.659.8-76.1-163.5-13.400116.1
16L48.9Very low48.4Very low164 Ų164137.3 Ų137.386%0.85979%0.794SS**  trans131.2132.8160.5-68.7176.3000109.9
17E52.7Low48Very low171 Ų171141.4 Ų141.480%0.79979%0.789SS**  cis-170.5159.1-9.6-104.4-94.4125.600105.4
18E44.5Very low47.6Very low189 Ų189147.6 Ų147.688%0.88380%0.8SS**  trans-75.8160.7-174.9-59.9-178.9141.300114.3
19G48.6Very low47.4Very low80 Ų80142.6 Ų142.683%0.82579%0.792SS**  trans-16991.517100000112.9
20F37Very low46.9Very low188 Ų188144.7 Ų144.783%0.82579%0.792SS**  trans-77.4176.2174.6175.6-105.2000112.4
21V48.5Very low46.9Very low112 Ų112142.9 Ų142.968%0.67979%0.794SS**  trans95.3136.5169.3-170.30000114.2
22E45Very low46Very low162 Ų162144.5 Ų144.576%0.75780%0.799SS**  cis-177.8149.6-19-177.716717400106
23S38.8Very low45.4Very low89 Ų89151.1 Ų151.162%0.62281%0.808SS**  trans-0.2139164.7-161.80000122.1
24C45.7Very low44.8Very low129 Ų129147.5 Ų147.587%0.87280%0.804SS**  trans-147.690.3143.8-89.60000110.7
25D42.9Very low44.2Very low150 Ų150150.2 Ų150.280%0.80281%0.809SS**  trans-69.2123.5154.6-85.2-61.5000109.6
26V46.6Very low44.1Very low138 Ų138153.3 Ų153.384%0.83681%0.813SS**  trans-127.7113.6162.8174.10000109.3
27R44.3Very low43.7Very low217 Ų217153.7 Ų153.782%0.81981%0.81SS**  trans-76.5144.6175.1-61.1161.367.1-173.42.5109.7
28E44.3Very low43.3Very low199 Ų199154.3 Ų154.393%0.9381%0.813SS**  trans-134.1110.2145.5-135.8174.5-168.900109.8
29A43.1Very low43.1Very low77 Ų77152.3 Ų152.364%0.63681%0.809SS**PPolyproline II helixtrans-100.3125.3179.700000108.6
30I48.9Very low42.9Very low164 Ų164153.3 Ų153.384%0.84181%0.809SS**PPolyproline II helixtrans-83.8127.4170.6-60.4176.7000108.5
31P44.1Very low43.4Very low116 Ų116152.2 Ų152.275%0.75381%0.81SS**PPolyproline II helixtrans-83.7131-175.80.417.1000112.6
32T37.8Very low43Very low149 Ų149150.6 Ų150.691%0.91482%0.816SS**PPolyproline II helixtrans-81.6117162.735.90000110.9
33R43.2Very low43.1Very low248 Ų248147.3 Ų147.394%0.93681%0.811SS**  trans-123.8131.5157.6-92.7179.5166.7168.8-3.8105
34G38.4Very low43.4Very low67 Ų67151.5 Ų151.569%0.69182%0.824SS**  cis111.68925.500000109.5
35L41.7Very low43.3Very low167 Ų167148.8 Ų148.887%0.87482%0.818SS**  trans67.1115.7151.8-58.1167.8000119.7
36R40.5Very low43.3Very low243 Ų243154.1 Ų154.192%0.91783%0.827SS**  -175.1126.1105.4-108.4-176.7156.8-142.5-8.7112.5
37E42.3Very low43.2Very low173 Ų173150.8 Ų150.881%0.80882%0.821SS**  trans-52.6146.2154.9-74.5152.5119.400110.5
38E43.5Very low43.4Very low183 Ų183142.8 Ų142.886%0.85581%0.806SS**  -176.4154.8109.9-76.7-144.3136.100110.6
39D40Very low43.7Very low148 Ų148139.3 Ų139.379%0.79180%0.8SS**  trans-69.2151.4-160-60.4-72.3000117.2
40A44.8Very low44.2Very low100 Ų100146.7 Ų146.783%0.82681%0.812SS**  trans-163.894.414000000112.3
41I46.4Very low44.2Very low165 Ų165144.5 Ų144.585%0.84681%0.81SS**  trans-17.4123.4153.2-55.1162.3000114.9
42G40Very low44.5Very low78 Ų78147.5 Ų147.580%0.80481%0.814SS**  trans-161.791.5172.800000111.9
43S48.1Very low45.1Very low93 Ų93145.8 Ų145.865%0.6581%0.805SS**  trans-65.5156.4-166.5-46.50000117.2
44I45.9Very low45.6Very low177 Ų177139.9 Ų139.991%0.90880%0.799SS**  trans92.8107.2146.8-57.3139.4000117.8
45G43.1Very low46Very low72 Ų72139.6 Ų139.674%0.74280%0.797SS**  trans174.794.4157.300000110.7G47G45-G47 PolarHBondContact O-N 3.42Å
46R43.5Very low46.2Very low262 Ų262138.4 Ų138.499%0.98980%0.796SS**  trans-67.396.9177.4-62.1-172.8-148.4-94.62109.7
47G44Very low46.5Very low68 Ų68134 Ų13470%0.70179%0.79SS**  trans-90.8122.116800000110.3G45G45-G47 PolarHBondContact O-N 3.42Å
48G47Very low46.9Very low49 Ų49128.8 Ų128.851%0.50577%0.773SS.*  trans-61.7170175.500000113.3W50G48-W50 PolarHBondContact O-N 3.34Å
49P52.5Low47.6Very low126 Ų126125.1 Ų125.182%0.81877%0.767SS**THydrogen-bonded Turntrans-74.727.8-165.731.6-36.4000115.2
50W52.6Low48.6Very low232 Ų232120 Ų12088%0.87975%0.745SS**THydrogen-bonded Turntrans-110.68.4-171.7-64.997.6000114.4G48G48-W50 PolarHBondContact O-N 3.34Å
51C49.4Very low49.4Very low118 Ų118119.1 Ų119.180%0.79773%0.725SS**  trans-110.945.8-177.9-600000113.2
52Q50.3Low50.8Low179 Ų179113.7 Ų113.784%0.83671%0.71SS**  trans-101.8113.1155.6-82.8-178.7-55.900107.9
53P49Very low52.8Low113 Ų113113.4 Ų113.473%0.73469%0.693SS**  trans-60.3138.5171.424.9-31.4000108.9G55P53-G55 PolarHBondContact O-N 3.42Å; P53-G55 VanDerWaalsContact O-N 3.15Å
54P54.3Low54.5Low124 Ų124111.3 Ų111.381%0.80567%0.673SS**  trans-55.2126.8169.123.5-29.9000106.9T56P54-T56 PolarHBondContact O-N 2.77Å
55G47.7Very low56.4Low62 Ų62109.6 Ų109.664%0.63966%0.655SS**  trans-45.1139.2-174.900000110.9P53 L57P53-G55 PolarHBondContact O-N 3.42Å; P53-G55 VanDerWaalsContact O-N 3.15Å; G55-L57 VanDerWaalsContact C-N 3.3Å; G55-L57 PolarHBondContact O-N 2.9Å
56T46.1Very low58.5Low141 Ų141110.5 Ų110.587%0.86564%0.642SS**  trans-37.586.7177.648.70000112.2P54 S58P54-T56 PolarHBondContact O-N 2.77Å; T56-S58 PolarHBondContact O-N 2.91Å
57L45.4Very low60.7Low151 Ų151102.6 Ų102.679%0.79162%0.616SS**  trans-71.291.7158.1-74.2175.1000103.6G55 S59G55-L57 VanDerWaalsContact C-N 3.3Å; G55-L57 PolarHBondContact O-N 2.9Å; L57-S59 PolarHBondContact O-N 2.67Å
58S50.5Low63Low64 Ų6499.5 Ų99.545%0.44858%0.583SS.*  trans-42.6134.2-172.1-176.10000110.3T56 A60 M61T56-S58 PolarHBondContact O-N 2.91Å; S58-A60 PolarHBondContact O-N 2.94Å; S58-A60 VanDerWaalsContact OG-CB 3.23Å; S58-A60 WeakPolarHBondContact OG-CB 3.45Å; S58-A60 PolarHBondContact OG-N 3.42Å; S58-M61 PolarHBondContact O-N 2.77Å
59S59.1Low65.1Low105 Ų105101.2 Ų101.273%0.73458%0.581SS**Hα-helixtrans-45.9-23.3167.8-176.40000112.3L57 G62 V63L57-S59 PolarHBondContact O-N 2.67Å; S59-G62 PolarHBondContact O-N 3.12Å; S59-V63 WeakPolarHBondContact O-CG2 3.26Å; S59-V63 PolarHBondContact O-N 3.46Å
60A61.1Low66.9Low40 Ų40101.4 Ų101.433%0.33157%0.57SS.*Hα-helixtrans-55.8-43.7171.300000114S58 G62 V63 E64S58-A60 PolarHBondContact O-N 2.94Å; S58-A60 VanDerWaalsContact OG-CB 3.23Å; S58-A60 WeakPolarHBondContact OG-CB 3.45Å; S58-A60 PolarHBondContact OG-N 3.42Å; A60-G62 VanDerWaalsContact C-N 3.27Å; A60-G62 PolarHBondContact O-N 2.94Å; A60-V63 PolarHBondContact O-N 3.27Å; A60-E64 WeakPolarHBondContact O-CG 3.43Å; A60-E64 PolarHBondContact O-N 2.97Å
61M62.3Low68.9Low82 Ų8291.4 Ų91.440%0.40453%0.532SS..Hα-helixtrans-61.6-34.5-176.9-69.7-58.3-42.300112.7S58 R65S58-M61 PolarHBondContact O-N 2.77Å; M61-R65 WeakPolarHBondContact O-CB 3.34Å; M61-R65 PolarHBondContact O-N 3.29Å
62G75.6Confident71.1Confident51 Ų5189.9 Ų89.953%0.52652%0.519SS..Hα-helixtrans-71.3-37.617700000112.4S59 A60 L66S59-G62 PolarHBondContact O-N 3.12Å; A60-G62 VanDerWaalsContact C-N 3.27Å; A60-G62 PolarHBondContact O-N 2.94Å; G62-L66 PolarHBondContact O-N 2.9Å
63V82Confident73.4Confident73 Ų7381.7 Ų81.744%0.44248%0.481SS..Hα-helixtrans-69.1-47.8179.3175.90000110.5S59 A60 R65 L66 Q67S59-V63 WeakPolarHBondContact O-CG2 3.26Å; S59-V63 PolarHBondContact O-N 3.46Å; A60-V63 PolarHBondContact O-N 3.27Å; V63-R65 PolarHBondContact O-N 3.26Å; V63-L66 WeakPolarHBondContact O-CB 3.29Å; V63-L66 PolarHBondContact O-N 3.28Å; V63-L66 VanDerWaalsContact O-N 3.17Å; V63-Q67 HydrophobicContact CG1-CG 4.39Å; V63-Q67 WeakPolarHBondContact O-CG 3.49Å; V63-Q67 PolarHBondContact O-N 3.04Å
64E82.9Confident75.6Confident49 Ų4982.5 Ų82.523%0.22947%0.473CS..Hα-helixtrans-62.2-42179.6-68.8164.8-168.100111.6A60 L66 Q67 F68 V93A60-E64 WeakPolarHBondContact O-CG 3.43Å; A60-E64 PolarHBondContact O-N 2.97Å; E64-L66 VanDerWaalsContact C-N 3.29Å; E64-L66 PolarHBondContact O-N 3.5Å; E64-Q67 WeakPolarHBondContact O-CB 3.28Å; E64-Q67 PolarHBondContact O-N 3.28Å; E64-F68 PolarHBondContact O-N 3.44Å; E64-V93 HydrophobicContact CB-CG2 3.6Å
65R86.2Confident77.5Confident141 Ų14182 Ų8253%0.53247%0.47SS..Hα-helixtrans-62.2-37175.9-171.6172.6-170.5-102.42.5112.5M61 V63 L69 V93M61-R65 WeakPolarHBondContact O-CB 3.34Å; M61-R65 PolarHBondContact O-N 3.29Å; V63-R65 PolarHBondContact O-N 3.26Å; R65-L69 WeakPolarHBondContact O-CG 3.33Å; R65-L69 PolarHBondContact O-N 2.96Å; R65-V93 HydrophobicContact CB-CG1 3.9Å; R65-V93 HydrophobicContact CG-CG1 4.02Å
66L87Confident79.6Confident91 Ų9182.8 Ų82.848%0.47648%0.478SS..Hα-helixtrans-71-42.1175.6-172.167.4000111.2G62 V63 E64 F68 L69 Q70G62-L66 PolarHBondContact O-N 2.9Å; V63-L66 WeakPolarHBondContact O-CB 3.29Å; V63-L66 PolarHBondContact O-N 3.28Å; V63-L66 VanDerWaalsContact O-N 3.17Å; E64-L66 VanDerWaalsContact C-N 3.29Å; E64-L66 PolarHBondContact O-N 3.5Å; L66-F68 VanDerWaalsContact C-N 3.31Å; L66-F68 PolarHBondContact O-N 3.2Å; L66-L69 PolarHBondContact O-N 2.95Å; L66-Q70 HydrophobicContact CD1-CG 4.17Å; L66-Q70 HydrophobicContact CG-CG 4.29Å; L66-Q70 WeakPolarHBondContact O-CB 3.3Å; L66-Q70 WeakPolarHBondContact O-CG 3.39Å; L66-Q70 PolarHBondContact O-N 3.26Å
67Q89.4Confident82Confident96 Ų9677.6 Ų77.645%0.44944%0.444SS..Hα-helixtrans-57.4-44.9175.7-74.4177.43.500111.1V63 E64 Q70 R71 L89V63-Q67 HydrophobicContact CG1-CG 4.39Å; V63-Q67 WeakPolarHBondContact O-CG 3.49Å; V63-Q67 PolarHBondContact O-N 3.04Å; E64-Q67 WeakPolarHBondContact O-CB 3.28Å; E64-Q67 PolarHBondContact O-N 3.28Å; Q67-Q70 PolarHBondContact O-N 3.1Å; Q67-R71 VanDerWaalsContact O-CB 3.32Å; Q67-R71 WeakPolarHBondContact O-CB 3.47Å; Q67-R71 PolarHBondContact O-N 2.93Å; Q67-L89 HydrophobicContact CB-CD2 4.2Å
68F93.1Very high84.4Confident3 Ų372.1 Ų72.11%0.01342%0.419CS..Hα-helixtrans-57.5-51.8175.5178.2-97000112.5E64 L66 Q70 R71 L86 L89 K95 D99 L100 Q103E64-F68 PolarHBondContact O-N 3.44Å; L66-F68 VanDerWaalsContact C-N 3.31Å; L66-F68 PolarHBondContact O-N 3.2Å; F68-Q70 VanDerWaalsContact C-N 3.32Å; F68-Q70 PolarHBondContact O-N 3.38Å; F68-R71 WeakPolarHBondContact O-CB 3.47Å; F68-R71 PolarHBondContact O-N 3.32Å; F68-L86 HydrophobicContact CD2-CD2 4.16Å; F68-L86 HydrophobicContact CE2-CD2 3.91Å; F68-L89 HydrophobicContact CB-CB 4.42Å; F68-L89 HydrophobicContact CD2-CB 4.12Å; F68-K95 HydrophobicContact CD1-CD 4.3Å; F68-K95 HydrophobicContact CD1-CG 3.97Å; F68-K95 HydrophobicContact CD2-CG 4.27Å; F68-K95 HydrophobicContact CE1-CD 4.1Å; F68-K95 HydrophobicContact CE1-CG 3.82Å; F68-K95 HydrophobicContact CE2-CB 4.44Å; F68-K95 HydrophobicContact CE2-CG 4.16Å; F68-K95 HydrophobicContact CG-CG 4.19Å; F68-K95 HydrophobicContact CZ-CB 4.23Å; F68-K95 HydrophobicContact CZ-CG 3.92Å; F68-D99 HydrophobicContact CE1-CB 4.46Å; F68-D99 HydrophobicContact CZ-CB 4.39Å; F68-L100 HydrophobicContact CE2-CD2 3.54Å; F68-L100 HydrophobicContact CZ-CD2 3.97Å; F68-Q103 HydrophobicContact CE1-CB 3.98Å; F68-Q103 HydrophobicContact CE1-CG 4.12Å; F68-Q103 HydrophobicContact CE2-CB 4.35Å; F68-Q103 HydrophobicContact CE2-CG 4.31Å; F68-Q103 HydrophobicContact CZ-CB 3.65Å; F68-Q103 HydrophobicContact CZ-CG 3.96Å; F68-Q103 WeakPolarHBondContact O-CG 3.34Å; F68-Q103 PolarHBondContact O-NE2 2.94Å; F68-Q103 VanDerWaalsContact O-NE2 3.14Å
69L89.8Confident86.6Confident85 Ų8569.3 Ų69.345%0.44540%0.399SS..Hα-helixtrans-68.1-30-176.9-70.2171.9000113.3R65 L66 R71 Q103R65-L69 WeakPolarHBondContact O-CG 3.33Å; R65-L69 PolarHBondContact O-N 2.96Å; L66-L69 PolarHBondContact O-N 2.95Å; L69-R71 VanDerWaalsContact C-N 3.35Å; L69-Q103 PolarHBondContact O-NE2 2.91Å
70Q91.4Very high88.5Confident129 Ų12967.3 Ų67.360%0.60338%0.38SS*.Hα-helixtrans-90.2-2.9178.9-67.1-177.7-14.500112.9L66 Q67 F68 V72L66-Q70 HydrophobicContact CD1-CG 4.17Å; L66-Q70 HydrophobicContact CG-CG 4.29Å; L66-Q70 WeakPolarHBondContact O-CB 3.3Å; L66-Q70 WeakPolarHBondContact O-CG 3.39Å; L66-Q70 PolarHBondContact O-N 3.26Å; Q67-Q70 PolarHBondContact O-N 3.1Å; F68-Q70 VanDerWaalsContact C-N 3.32Å; F68-Q70 PolarHBondContact O-N 3.38Å; Q70-V72 PolarHBondContact O-N 3.14Å; Q70-V72 VanDerWaalsContact O-N 3.08Å
71R94.6Very high90.2Very high22 Ų2269.7 Ų69.78%0.08339%0.387CS..  trans-71109.5-177.2-173.348.9171.7108.25.5110.4Q67 F68 L69 E77 F82 L86 L89 Q103Q67-R71 VanDerWaalsContact O-CB 3.32Å; Q67-R71 WeakPolarHBondContact O-CB 3.47Å; Q67-R71 PolarHBondContact O-N 2.93Å; F68-R71 WeakPolarHBondContact O-CB 3.47Å; F68-R71 PolarHBondContact O-N 3.32Å; L69-R71 VanDerWaalsContact C-N 3.35Å; R71-E77 IonicContact CZ-OE1 2.94Å; R71-E77 IonicContact CZ-OE2 2.59Å; R71-E77 IonicContact NH1-OE1 3.27Å; R71-E77 IonicContact NH1-OE2 3.27Å; R71-E77 PolarHBondContact NH1-OE2 3.45Å; R71-E77 VanDerWaalsContact NH2-CD 3.32Å; R71-E77 IonicContact NH2-OE1 2.69Å; R71-E77 PolarHBondContact NH2-OE1 2.82Å; R71-E77 IonicContact NH2-OE2 3.8Å; R71-E77 PolarHBondContact NH2-OE2 3.15Å; R71-F82 HydrophobicContact CG-CD2 4.46Å; R71-F82 HydrophobicContact CG-CE2 4Å; R71-L86 HydrophobicContact CB-CD2 3.85Å; R71-L86 HydrophobicContact CG-CD2 3.71Å; R71-L86 HydrophobicContact CG-CG 4.19Å; R71-L89 HydrophobicContact CB-CD1 4.19Å; R71-L89 HydrophobicContact CG-CD1 4.02Å; R71-Q103 PolarHBondContact O-NE2 3.17Å
72V96.2Very high91.9Very high86 Ų8665.8 Ų65.852%0.52137%0.368SS..  trans-120.4148.3173.1-61.20000109.7Q70 K74 G107Q70-V72 PolarHBondContact O-N 3.14Å; Q70-V72 VanDerWaalsContact O-N 3.08Å; V72-K74 PolarHBondContact O-N 2.93Å; V72-G107 CarbonylContact C-O 3.45Å; V72-G107 WeakPolarHBondContact CA-O 3.4Å
73Q97.6Very high93Very high8 Ų863.4 Ų63.44%0.03734%0.343CS..PPolyproline II helixtrans-61.9125179-177.3174.540.700110.2E77 S78 F82 G107 Q109Q73-E77 WeakPolarHBondContact CA-OE2 3.4Å; Q73-E77 HydrophobicContact CG-CB 4.1Å; Q73-E77 HydrophobicContact CG-CG 4.46Å; Q73-E77 PolarHBondContact NE2-O 2.98Å; Q73-E77 VanDerWaalsContact NE2-O 3.1Å; Q73-S78 PolarHBondContact NE2-O 3.34Å; Q73-F82 HydrophobicContact CB-CB 4.32Å; Q73-F82 HydrophobicContact CB-CD1 4Å; Q73-F82 HydrophobicContact CB-CD2 4Å; Q73-F82 HydrophobicContact CB-CE1 4.3Å; Q73-F82 HydrophobicContact CB-CE2 4.28Å; Q73-F82 HydrophobicContact CB-CG 3.84Å; Q73-F82 HydrophobicContact CB-CZ 4.43Å; Q73-F82 HydrophobicContact CG-CB 4.13Å; Q73-F82 HydrophobicContact CG-CD1 4.48Å; Q73-F82 HydrophobicContact CG-CG 4.19Å; Q73-G107 WeakPolarHBondContact CB-O 3.46Å; Q73-G107 PolarHBondContact N-O 2.92Å; Q73-Q109 HydrophobicContact CB-CB 4.09Å; Q73-Q109 HydrophobicContact CG-CB 4.11Å
74K94.8Very high93.7Very high130 Ų13063.5 Ų63.557%0.56534%0.341SS*.PPolyproline II helixtrans-74.9153.3-179.1-62.8171.1-175.5166.80110.6V72 G76 E77V72-K74 PolarHBondContact O-N 2.93Å; K74-G76 PolarHBondContact O-N 3.42Å; K74-E77 HydrophobicContact CB-CB 4.07Å; K74-E77 PolarHBondContact N-OE2 3.42Å; K74-E77 VanDerWaalsContact O-CB 3.23Å; K74-E77 WeakPolarHBondContact O-CB 3.41Å; K74-E77 PolarHBondContact O-N 3.39Å
75P94.2Very high94.3Very high112 Ų11265.3 Ų65.373%0.72735%0.35SS*.THydrogen-bonded Turntrans-57.1123.5171.9-20.831.2000112.2E77P75-E77 VanDerWaalsContact C-N 3.3Å
76G93.4Very high94.8Very high80 Ų8058.6 Ų58.683%0.82532%0.324SS*.THydrogen-bonded Turntrans85.3-6-178.800000115.1K74K74-G76 PolarHBondContact O-N 3.42Å
77E96.3Very high95.2Very high32 Ų3258.3 Ų58.315%0.1532%0.317CS..  trans-70139.4174-173.9170.5-131.500111R71 Q73 K74 P75 D81 F82R71-E77 IonicContact CZ-OE1 2.94Å; R71-E77 IonicContact CZ-OE2 2.59Å; R71-E77 IonicContact NH1-OE1 3.27Å; R71-E77 IonicContact NH1-OE2 3.27Å; R71-E77 PolarHBondContact NH1-OE2 3.45Å; R71-E77 VanDerWaalsContact NH2-CD 3.32Å; R71-E77 IonicContact NH2-OE1 2.69Å; R71-E77 PolarHBondContact NH2-OE1 2.82Å; R71-E77 IonicContact NH2-OE2 3.8Å; R71-E77 PolarHBondContact NH2-OE2 3.15Å; Q73-E77 WeakPolarHBondContact CA-OE2 3.4Å; Q73-E77 HydrophobicContact CG-CB 4.1Å; Q73-E77 HydrophobicContact CG-CG 4.46Å; Q73-E77 PolarHBondContact NE2-O 2.98Å; Q73-E77 VanDerWaalsContact NE2-O 3.1Å; K74-E77 HydrophobicContact CB-CB 4.07Å; K74-E77 PolarHBondContact N-OE2 3.42Å; K74-E77 VanDerWaalsContact O-CB 3.23Å; K74-E77 WeakPolarHBondContact O-CB 3.41Å; K74-E77 PolarHBondContact O-N 3.39Å; P75-E77 VanDerWaalsContact C-N 3.3Å; E77-D81 HydrophobicContact CG-CB 3.97Å; E77-F82 HydrophobicContact CG-CB 4.3Å
78S96.1Very high95.5Very high36 Ų3657.1 Ų57.125%0.25232%0.319SS..  trans-71.2163.3175.581.70000110.7Q73 D80 D81 F82Q73-S78 PolarHBondContact NE2-O 3.34Å; S78-D80 PolarHBondContact OG-N 3.46Å; S78-D81 VanDerWaalsContact CB-OD2 3.29Å; S78-D81 WeakPolarHBondContact CB-OD2 3.3Å; S78-D81 PolarHBondContact N-OD2 2.9Å; S78-D81 PolarHBondContact OG-N 3.2Å; S78-D81 PolarHBondContact OG-OD2 3.41Å; S78-F82 PolarHBondContact O-N 2.88Å
79V96.7Very high95.5Very high5 Ų557.5 Ų57.53%0.0332%0.321CS..Hα-helixtrans-67.7-34.8174.5-179.50000110.3A83 F104 L108 A132 R136V79-A83 WeakPolarHBondContact O-CB 3.25Å; V79-A83 PolarHBondContact O-N 3.03Å; V79-F104 HydrophobicContact CG1-CE2 3.92Å; V79-F104 HydrophobicContact CG1-CZ 3.58Å; V79-L108 HydrophobicContact CG1-CD2 4.43Å; V79-A132 HydrophobicContact CG1-CB 3.91Å; V79-R136 HydrophobicContact CG2-CG 4.36Å; V79-R136 VanDerWaalsContact CG2-NE 3.26Å
80D97.3Very high95.7Very high62 Ų6253.5 Ų53.533%0.33230%0.3SS..Hα-helixtrans-63.5-53.5178.4-72.6-77000111.5S78 F82 A83 D84 K133S78-D80 PolarHBondContact OG-N 3.46Å; D80-F82 VanDerWaalsContact C-N 3.27Å; D80-F82 PolarHBondContact O-N 3.45Å; D80-A83 WeakPolarHBondContact O-CB 3.3Å; D80-A83 PolarHBondContact O-N 3.13Å; D80-D84 PolarHBondContact O-N 3.22Å; D80-K133 WeakPolarHBondContact OD1-CE 3.37Å; D80-K133 IonicContact OD1-NZ 3.9Å; D80-K133 PolarHBondContact OD1-NZ 3.06Å; D80-K133 VanDerWaalsContact OD2-CE 3.29Å; D80-K133 WeakPolarHBondContact OD2-CE 3.31Å; D80-K133 IonicContact OD2-NZ 2.79Å
81D97.4Very high95.8Very high91 Ų9151.2 Ų51.249%0.48730%0.303SS..Hα-helixtrans-59.4-40.6-179.6-54.8-41.2000111.5E77 S78 E85E77-D81 HydrophobicContact CG-CB 3.97Å; S78-D81 VanDerWaalsContact CB-OD2 3.29Å; S78-D81 WeakPolarHBondContact CB-OD2 3.3Å; S78-D81 PolarHBondContact N-OD2 2.9Å; S78-D81 PolarHBondContact OG-N 3.2Å; S78-D81 PolarHBondContact OG-OD2 3.41Å; D81-E85 WeakPolarHBondContact O-CB 3.39Å; D81-E85 PolarHBondContact O-N 3.04Å
82F97.8Very high95.5Very high0 Ų055.2 Ų55.20%032%0.323CS..Hα-helixtrans-63.9-43.1175.4172.4-122.8000112.3R71 Q73 E77 S78 D80 L86 F104 L108R71-F82 HydrophobicContact CG-CD2 4.46Å; R71-F82 HydrophobicContact CG-CE2 4Å; Q73-F82 HydrophobicContact CB-CB 4.32Å; Q73-F82 HydrophobicContact CB-CD1 4Å; Q73-F82 HydrophobicContact CB-CD2 4Å; Q73-F82 HydrophobicContact CB-CE1 4.3Å; Q73-F82 HydrophobicContact CB-CE2 4.28Å; Q73-F82 HydrophobicContact CB-CG 3.84Å; Q73-F82 HydrophobicContact CB-CZ 4.43Å; Q73-F82 HydrophobicContact CG-CB 4.13Å; Q73-F82 HydrophobicContact CG-CD1 4.48Å; Q73-F82 HydrophobicContact CG-CG 4.19Å; E77-F82 HydrophobicContact CG-CB 4.3Å; S78-F82 PolarHBondContact O-N 2.88Å; D80-F82 VanDerWaalsContact C-N 3.27Å; D80-F82 PolarHBondContact O-N 3.45Å; F82-L86 HydrophobicContact CD1-CD1 4.44Å; F82-L86 HydrophobicContact CD2-CD1 4.35Å; F82-L86 HydrophobicContact CD2-CG 4.43Å; F82-L86 HydrophobicContact CE1-CD1 3.82Å; F82-L86 HydrophobicContact CE2-CD1 3.74Å; F82-L86 HydrophobicContact CE2-CG 4Å; F82-L86 HydrophobicContact CZ-CD1 3.43Å; F82-L86 VanDerWaalsContact CZ-CD1 3.43Å; F82-L86 HydrophobicContact CZ-CG 4.21Å; F82-L86 PolarHBondContact O-N 3.29Å; F82-L86 VanDerWaalsContact O-N 3.1Å; F82-F104 AromaticContact CD1-CD2 3.7Å; F82-F104 HydrophobicContact CD1-CD2 3.7Å; F82-F104 AromaticContact CD1-CE2 3.71Å; F82-F104 HydrophobicContact CD1-CE2 3.71Å; F82-F104 AromaticContact CE1-CD2 3.5Å; F82-F104 HydrophobicContact CE1-CD2 3.5Å; F82-F104 VanDerWaalsContact CE1-CD2 3.5Å; F82-F104 AromaticContact CE1-CE2 3.93Å; F82-F104 HydrophobicContact CE1-CE2 3.93Å; F82-F104 HydrophobicContact CE1-CG 4.26Å; F82-L108 HydrophobicContact CD1-CD2 4.08Å; F82-L108 HydrophobicContact CE1-CD2 4.16Å; F82-L108 HydrophobicContact CE1-CG 4.19Å
83A97.9Very high95.2Very high1 Ų152.4 Ų52.41%0.00831%0.305CS..Hα-helixtrans-67.5-42.1178.800000111.8V79 D80 L86 R87 F104 F125 V129V79-A83 WeakPolarHBondContact O-CB 3.25Å; V79-A83 PolarHBondContact O-N 3.03Å; D80-A83 WeakPolarHBondContact O-CB 3.3Å; D80-A83 PolarHBondContact O-N 3.13Å; A83-L86 PolarHBondContact O-N 3.49Å; A83-R87 WeakPolarHBondContact O-CG 3.39Å; A83-R87 PolarHBondContact O-N 3.03Å; A83-F104 HydrophobicContact CB-CD2 4.39Å; A83-F104 HydrophobicContact CB-CE2 3.98Å; A83-F125 HydrophobicContact CB-CE1 4.34Å; A83-F125 HydrophobicContact CB-CZ 3.92Å; A83-V129 HydrophobicContact CB-CG1 4.33Å; A83-V129 HydrophobicContact CB-CG2 3.72Å
84D97.3Very high94.9Very high75 Ų7554.5 Ų54.540%0.40133%0.329SS..Hα-helixtrans-62.5-44.6177.9-71.7-24.1000111.1D80 L86 R87 C88D80-D84 PolarHBondContact O-N 3.22Å; D84-L86 VanDerWaalsContact C-N 3.33Å; D84-L86 PolarHBondContact O-N 2.8Å; D84-R87 WeakPolarHBondContact O-CB 3.49Å; D84-R87 PolarHBondContact O-N 2.89Å; D84-R87 VanDerWaalsContact O-N 3.14Å; D84-R87 IonicContact OD1-CZ 3.92Å; D84-R87 IonicContact OD1-NH1 3.45Å; D84-R87 PolarHBondContact OD1-NH1 3.37Å; D84-C88 PolarHBondContact O-N 2.93Å; D84-C88 PolarHBondContact O-SG 3Å; D84-C88 VanDerWaalsContact O-SG 3.4Å
85E95.7Very high94.8Very high87 Ų8750.2 Ų50.241%0.40731%0.311SS..Hα-helixtrans-62.2-39.9175.8-169.872178.300112.2D81 R87 C88 L89D81-E85 WeakPolarHBondContact O-CB 3.39Å; D81-E85 PolarHBondContact O-N 3.04Å; E85-R87 VanDerWaalsContact C-N 3.34Å; E85-C88 PolarHBondContact O-N 3.21Å; E85-L89 HydrophobicContact CG-CD1 4.15Å; E85-L89 WeakPolarHBondContact O-CG 3.41Å; E85-L89 PolarHBondContact O-N 2.7Å
86L96.8Very high94.8Very high0 Ų051.2 Ų51.20%031%0.306CS..Hα-helixtrans-65-37174.8-81.7177.5000112.3F68 R71 F82 A83 D84 G90 L100 Q103 F104 F125F68-L86 HydrophobicContact CD2-CD2 4.16Å; F68-L86 HydrophobicContact CE2-CD2 3.91Å; R71-L86 HydrophobicContact CB-CD2 3.85Å; R71-L86 HydrophobicContact CG-CD2 3.71Å; R71-L86 HydrophobicContact CG-CG 4.19Å; F82-L86 HydrophobicContact CD1-CD1 4.44Å; F82-L86 HydrophobicContact CD2-CD1 4.35Å; F82-L86 HydrophobicContact CD2-CG 4.43Å; F82-L86 HydrophobicContact CE1-CD1 3.82Å; F82-L86 HydrophobicContact CE2-CD1 3.74Å; F82-L86 HydrophobicContact CE2-CG 4Å; F82-L86 HydrophobicContact CZ-CD1 3.43Å; F82-L86 VanDerWaalsContact CZ-CD1 3.43Å; F82-L86 HydrophobicContact CZ-CG 4.21Å; F82-L86 PolarHBondContact O-N 3.29Å; F82-L86 VanDerWaalsContact O-N 3.1Å; A83-L86 PolarHBondContact O-N 3.49Å; D84-L86 VanDerWaalsContact C-N 3.33Å; D84-L86 PolarHBondContact O-N 2.8Å; L86-G90 WeakPolarHBondContact O-CA 3.44Å; L86-G90 PolarHBondContact O-N 2.92Å; L86-L100 VanDerWaalsContact O-CD2 3.31Å; L86-L100 WeakPolarHBondContact O-CD2 3.28Å; L86-Q103 HydrophobicContact CD1-CG 4.46Å; L86-Q103 HydrophobicContact CD2-CB 4.39Å; L86-Q103 HydrophobicContact CD2-CG 3.62Å; L86-F104 HydrophobicContact CD1-CB 3.92Å; L86-F104 HydrophobicContact CD1-CD2 4.09Å; L86-F125 HydrophobicContact CB-CE2 4.42Å; L86-F125 HydrophobicContact CB-CZ 4.33Å; L86-F125 HydrophobicContact CD1-CE2 4.38Å
87R96.4Very high95Very high84 Ų8450.4 Ų50.432%0.31728%0.282SS..Hα-helixtrans-63.3-43.7173.3-70.2-177.4-172.8113.31.3110.9A83 D84 E85 A91 F125 D126A83-R87 WeakPolarHBondContact O-CG 3.39Å; A83-R87 PolarHBondContact O-N 3.03Å; D84-R87 WeakPolarHBondContact O-CB 3.49Å; D84-R87 PolarHBondContact O-N 2.89Å; D84-R87 VanDerWaalsContact O-N 3.14Å; D84-R87 IonicContact OD1-CZ 3.92Å; D84-R87 IonicContact OD1-NH1 3.45Å; D84-R87 PolarHBondContact OD1-NH1 3.37Å; E85-R87 VanDerWaalsContact C-N 3.34Å; R87-A91 VanDerWaalsContact O-CB 3.28Å; R87-A91 WeakPolarHBondContact O-CB 3.5Å; R87-A91 PolarHBondContact O-N 3.11Å; R87-F125 HydrophobicContact CG-CD1 4.41Å; R87-F125 HydrophobicContact CG-CE1 3.6Å; R87-F125 HydrophobicContact CG-CZ 4.1Å; R87-D126 IonicContact CZ-OD1 3.74Å; R87-D126 IonicContact NE-OD1 3.83Å; R87-D126 IonicContact NH2-OD1 2.8Å; R87-D126 PolarHBondContact NH2-OD1 3.29Å
88C94.3Very high94.9Very high72 Ų7253.2 Ų53.249%0.48630%0.299SS..Hα-helixtrans-60.8-56.3177.4-69.60000111.5D84 E85 G90 A91 E92D84-C88 PolarHBondContact O-N 2.93Å; D84-C88 PolarHBondContact O-SG 3Å; D84-C88 VanDerWaalsContact O-SG 3.4Å; E85-C88 PolarHBondContact O-N 3.21Å; C88-G90 VanDerWaalsContact C-N 3.3Å; C88-G90 PolarHBondContact O-N 3.08Å; C88-A91 PolarHBondContact O-N 3.26Å; C88-E92 WeakPolarHBondContact O-CG 3.42Å; C88-E92 PolarHBondContact O-N 2.86Å; C88-E92 VanDerWaalsContact O-N 3.13Å
89L93.4Very high94.9Very high11 Ų1154.2 Ų54.26%0.05830%0.301CS..Hα-helixtrans-61.5-37.8179.3-69.3171.4000112.4Q67 F68 R71 E85 V93Q67-L89 HydrophobicContact CB-CD2 4.2Å; F68-L89 HydrophobicContact CB-CB 4.42Å; F68-L89 HydrophobicContact CD2-CB 4.12Å; R71-L89 HydrophobicContact CB-CD1 4.19Å; R71-L89 HydrophobicContact CG-CD1 4.02Å; E85-L89 HydrophobicContact CG-CD1 4.15Å; E85-L89 WeakPolarHBondContact O-CG 3.41Å; E85-L89 PolarHBondContact O-N 2.7Å; L89-V93 WeakPolarHBondContact O-CG2 3.34Å; L89-V93 PolarHBondContact O-N 3.08Å
90G94.3Very high94.9Very high1 Ų154.9 Ų54.91%0.0131%0.305CS..Hα-helixtrans-69-37177.900000113.1L86 C88 V93 G94 K95L86-G90 WeakPolarHBondContact O-CA 3.44Å; L86-G90 PolarHBondContact O-N 2.92Å; C88-G90 VanDerWaalsContact C-N 3.3Å; C88-G90 PolarHBondContact O-N 3.08Å; G90-V93 PolarHBondContact O-N 3.19Å; G90-G94 PolarHBondContact O-N 3.26Å; G90-K95 PolarHBondContact O-N 2.79Å
91A92.4Very high94.9Very high80 Ų8053.1 Ų53.166%0.66129%0.294SS*.Hα-helixtrans-65.9-38.6175.600000111.9R87 C88R87-A91 VanDerWaalsContact O-CB 3.28Å; R87-A91 WeakPolarHBondContact O-CB 3.5Å; R87-A91 PolarHBondContact O-N 3.11Å; C88-A91 PolarHBondContact O-N 3.26Å
92E89.6Confident94.8Very high107 Ų10754.4 Ų54.450%0.530%0.297SS..Hα-helixtrans-64.2-42.5176.4-71170.7-177.800112C88C88-E92 WeakPolarHBondContact O-CG 3.42Å; C88-E92 PolarHBondContact O-N 2.86Å; C88-E92 VanDerWaalsContact O-N 3.13Å
93V89.9Confident94.8Very high26 Ų2655 Ų5516%0.15830%0.3CS..Hα-helixtrans-90.1-8.3-175.7-175.90000113.2E64 R65 L89 G90 K95E64-V93 HydrophobicContact CB-CG2 3.6Å; R65-V93 HydrophobicContact CB-CG1 3.9Å; R65-V93 HydrophobicContact CG-CG1 4.02Å; L89-V93 WeakPolarHBondContact O-CG2 3.34Å; L89-V93 PolarHBondContact O-N 3.08Å; G90-V93 PolarHBondContact O-N 3.19Å; V93-K95 HydrophobicContact CB-CG 4.28Å; V93-K95 HydrophobicContact CG1-CD 4.47Å; V93-K95 HydrophobicContact CG1-CG 4.37Å
94G91.1Very high94.8Very high53 Ų5355 Ų5555%0.54630%0.299SS..THydrogen-bonded Turntrans76.235.5-178.300000114.2G90G90-G94 PolarHBondContact O-N 3.26Å
95K92.8Very high94.8Very high39 Ų3952.3 Ų52.317%0.1729%0.285CS..  trans-75.7140178.2-66.5-56-162162.60112.1F68 G90 V93 D99 L100F68-K95 HydrophobicContact CD1-CD 4.3Å; F68-K95 HydrophobicContact CD1-CG 3.97Å; F68-K95 HydrophobicContact CD2-CG 4.27Å; F68-K95 HydrophobicContact CE1-CD 4.1Å; F68-K95 HydrophobicContact CE1-CG 3.82Å; F68-K95 HydrophobicContact CE2-CB 4.44Å; F68-K95 HydrophobicContact CE2-CG 4.16Å; F68-K95 HydrophobicContact CG-CG 4.19Å; F68-K95 HydrophobicContact CZ-CB 4.23Å; F68-K95 HydrophobicContact CZ-CG 3.92Å; G90-K95 PolarHBondContact O-N 2.79Å; V93-K95 HydrophobicContact CB-CG 4.28Å; V93-K95 HydrophobicContact CG1-CD 4.47Å; V93-K95 HydrophobicContact CG1-CG 4.37Å; K95-D99 HydrophobicContact CB-CB 3.98Å; K95-D99 HydrophobicContact CD-CB 4Å; K95-D99 HydrophobicContact CG-CB 4.41Å; K95-D99 IonicContact NZ-OD1 3.6Å; K95-L100 HydrophobicContact CB-CD2 4.33Å
96Q94.2Very high94.7Very high133 Ų13354.1 Ų54.162%0.62130%0.295SS*.  trans-83.9165.2177.8-62-60.7-45.100110.7D98 D99 L100Q96-D98 PolarHBondContact O-N 2.94Å; Q96-D99 PolarHBondContact N-OD2 2.92Å; Q96-D99 WeakPolarHBondContact O-CB 3.39Å; Q96-D99 PolarHBondContact O-N 3.16Å; Q96-L100 PolarHBondContact O-N 3.46Å
97D96.5Very high94.7Very high63 Ų6354.2 Ų54.234%0.33730%0.296SS..Hα-helixtrans-55-36.8179.9-17079.1000112.7L100 K101 S124 F125D97-L100 PolarHBondContact O-N 3.26Å; D97-K101 VanDerWaalsContact O-CB 3.23Å; D97-K101 WeakPolarHBondContact O-CB 3.33Å; D97-K101 PolarHBondContact O-N 3.31Å; D97-S124 WeakPolarHBondContact OD2-CA 3.28Å; D97-S124 VanDerWaalsContact OD2-CB 3.26Å; D97-S124 WeakPolarHBondContact OD2-CB 3.46Å; D97-F125 WeakPolarHBondContact OD1-CB 3.43Å; D97-F125 PolarHBondContact OD1-N 2.86Å; D97-F125 PolarHBondContact OD2-N 3.14Å
98D95.5Very high94.8Very high92 Ų9250.5 Ų50.549%0.49228%0.282SS..Hα-helixtrans-64.3-42.7175.2-75.4-36.9000112.4Q96 K101 E102Q96-D98 PolarHBondContact O-N 2.94Å; D98-K101 PolarHBondContact O-N 3.38Å; D98-K101 VanDerWaalsContact OD1-CE 3.31Å; D98-K101 WeakPolarHBondContact OD1-CE 3.3Å; D98-K101 IonicContact OD1-NZ 3.91Å; D98-K101 PolarHBondContact OD1-NZ 2.83Å; D98-E102 WeakPolarHBondContact O-CG 3.29Å; D98-E102 PolarHBondContact O-N 2.96Å
99D95.7Very high94.8Very high56 Ų5651.5 Ų51.530%0.29928%0.28SS..Hα-helixtrans-62.3-44.6175.1-67-74.2000110.8F68 K95 Q96 K101 E102 Q103F68-D99 HydrophobicContact CE1-CB 4.46Å; F68-D99 HydrophobicContact CZ-CB 4.39Å; K95-D99 HydrophobicContact CB-CB 3.98Å; K95-D99 HydrophobicContact CD-CB 4Å; K95-D99 HydrophobicContact CG-CB 4.41Å; K95-D99 IonicContact NZ-OD1 3.6Å; Q96-D99 PolarHBondContact N-OD2 2.92Å; Q96-D99 WeakPolarHBondContact O-CB 3.39Å; Q96-D99 PolarHBondContact O-N 3.16Å; D99-K101 VanDerWaalsContact C-N 3.35Å; D99-E102 PolarHBondContact O-N 3.39Å; D99-Q103 WeakPolarHBondContact O-CB 3.37Å; D99-Q103 PolarHBondContact O-N 3.39Å
100L97Very high94.9Very high20 Ų2052.9 Ų52.911%0.10529%0.288CS..Hα-helixtrans-60.3-46.9177.9-67.6-179000110.7F68 L86 K95 Q96 D97 Q103 F104 F125F68-L100 HydrophobicContact CE2-CD2 3.54Å; F68-L100 HydrophobicContact CZ-CD2 3.97Å; L86-L100 VanDerWaalsContact O-CD2 3.31Å; L86-L100 WeakPolarHBondContact O-CD2 3.28Å; K95-L100 HydrophobicContact CB-CD2 4.33Å; Q96-L100 PolarHBondContact O-N 3.46Å; D97-L100 PolarHBondContact O-N 3.26Å; L100-Q103 PolarHBondContact O-N 2.8Å; L100-F104 VanDerWaalsContact O-CB 3.25Å; L100-F104 WeakPolarHBondContact O-CB 3.3Å; L100-F104 PolarHBondContact O-N 3.39Å; L100-F125 VanDerWaalsContact C-CD2 3.43Å; L100-F125 HydrophobicContact CB-CB 4.14Å; L100-F125 HydrophobicContact CB-CD2 3.52Å; L100-F125 HydrophobicContact CB-CE2 3.96Å; L100-F125 HydrophobicContact CB-CG 3.89Å; L100-F125 WeakPolarHBondContact O-CD2 2.91Å
101K97.3Very high94.9Very high25 Ų2556.5 Ų56.511%0.10931%0.309CS..Hα-helixtrans-61.3-47.6180175.7179.459.2-167.40111.5D97 D98 D99 F104 I105 P122 D123 F125 A128D97-K101 VanDerWaalsContact O-CB 3.23Å; D97-K101 WeakPolarHBondContact O-CB 3.33Å; D97-K101 PolarHBondContact O-N 3.31Å; D98-K101 PolarHBondContact O-N 3.38Å; D98-K101 VanDerWaalsContact OD1-CE 3.31Å; D98-K101 WeakPolarHBondContact OD1-CE 3.3Å; D98-K101 IonicContact OD1-NZ 3.91Å; D98-K101 PolarHBondContact OD1-NZ 2.83Å; D99-K101 VanDerWaalsContact C-N 3.35Å; K101-F104 PolarHBondContact O-N 3.11Å; K101-I105 HydrophobicContact CG-CD1 4.08Å; K101-I105 VanDerWaalsContact O-CG1 3.28Å; K101-I105 WeakPolarHBondContact O-CG1 3.41Å; K101-I105 PolarHBondContact O-N 3.47Å; K101-P122 HydrophobicContact CD-CB 4.38Å; K101-P122 HydrophobicContact CD-CG 4.15Å; K101-P122 VanDerWaalsContact CD-O 3.31Å; K101-P122 WeakPolarHBondContact CD-O 3.46Å; K101-P122 HydrophobicContact CG-CG 4.31Å; K101-D123 PolarHBondContact NZ-O 2.78Å; K101-F125 HydrophobicContact CB-CB 4.3Å; K101-A128 HydrophobicContact CG-CB 4.36Å
102E95.9Very high95Very high117 Ų11754.1 Ų54.155%0.54729%0.29SS..Hα-helixtrans-63.7-45.8178.5-72.6-178.4-178.400111.5D98 D99 F104 I105 M106D98-E102 WeakPolarHBondContact O-CG 3.29Å; D98-E102 PolarHBondContact O-N 2.96Å; D99-E102 PolarHBondContact O-N 3.39Å; E102-F104 VanDerWaalsContact C-N 3.33Å; E102-F104 PolarHBondContact O-N 2.9Å; E102-I105 PolarHBondContact O-N 3.44Å; E102-M106 WeakPolarHBondContact O-CG 3.17Å; E102-M106 PolarHBondContact O-N 3.39Å
103Q96.4Very high95.3Very high13 Ų1349.3 Ų49.36%0.06127%0.268CS..Hα-helixtrans-63.6-38.7177.4-172.662.622.700112F68 L69 R71 L86 D99 L100 G107F68-Q103 HydrophobicContact CE1-CB 3.98Å; F68-Q103 HydrophobicContact CE1-CG 4.12Å; F68-Q103 HydrophobicContact CE2-CB 4.35Å; F68-Q103 HydrophobicContact CE2-CG 4.31Å; F68-Q103 HydrophobicContact CZ-CB 3.65Å; F68-Q103 HydrophobicContact CZ-CG 3.96Å; F68-Q103 WeakPolarHBondContact O-CG 3.34Å; F68-Q103 PolarHBondContact O-NE2 2.94Å; F68-Q103 VanDerWaalsContact O-NE2 3.14Å; L69-Q103 PolarHBondContact O-NE2 2.91Å; R71-Q103 PolarHBondContact O-NE2 3.17Å; L86-Q103 HydrophobicContact CD1-CG 4.46Å; L86-Q103 HydrophobicContact CD2-CB 4.39Å; L86-Q103 HydrophobicContact CD2-CG 3.62Å; D99-Q103 WeakPolarHBondContact O-CB 3.37Å; D99-Q103 PolarHBondContact O-N 3.39Å; L100-Q103 PolarHBondContact O-N 2.8Å; Q103-G107 WeakPolarHBondContact O-CA 3.2Å; Q103-G107 PolarHBondContact O-N 2.75Å
104F97.9Very high95.6Very high0 Ų050.3 Ų50.30%027%0.271CS..Hα-helixtrans-61.8-50.2174.9-179.1-102000111.7V79 F82 A83 L86 L100 K101 E102 M106 G107 L108 L117 F125 A128 V129 A132V79-F104 HydrophobicContact CG1-CE2 3.92Å; V79-F104 HydrophobicContact CG1-CZ 3.58Å; F82-F104 AromaticContact CD1-CD2 3.7Å; F82-F104 HydrophobicContact CD1-CD2 3.7Å; F82-F104 AromaticContact CD1-CE2 3.71Å; F82-F104 HydrophobicContact CD1-CE2 3.71Å; F82-F104 AromaticContact CE1-CD2 3.5Å; F82-F104 HydrophobicContact CE1-CD2 3.5Å; F82-F104 VanDerWaalsContact CE1-CD2 3.5Å; F82-F104 AromaticContact CE1-CE2 3.93Å; F82-F104 HydrophobicContact CE1-CE2 3.93Å; F82-F104 HydrophobicContact CE1-CG 4.26Å; A83-F104 HydrophobicContact CB-CD2 4.39Å; A83-F104 HydrophobicContact CB-CE2 3.98Å; L86-F104 HydrophobicContact CD1-CB 3.92Å; L86-F104 HydrophobicContact CD1-CD2 4.09Å; L100-F104 VanDerWaalsContact O-CB 3.25Å; L100-F104 WeakPolarHBondContact O-CB 3.3Å; L100-F104 PolarHBondContact O-N 3.39Å; K101-F104 PolarHBondContact O-N 3.11Å; E102-F104 VanDerWaalsContact C-N 3.33Å; E102-F104 PolarHBondContact O-N 2.9Å; F104-M106 PolarHBondContact O-N 2.78Å; F104-G107 PolarHBondContact O-N 2.95Å; F104-L108 HydrophobicContact CD1-CD1 4.21Å; F104-L108 HydrophobicContact CE1-CD1 3.81Å; F104-L108 HydrophobicContact CE1-CD2 4.49Å; F104-L108 HydrophobicContact CE1-CG 4.31Å; F104-L108 HydrophobicContact CE2-CD2 4.17Å; F104-L108 HydrophobicContact CZ-CD1 4.15Å; F104-L108 HydrophobicContact CZ-CD2 4.01Å; F104-L108 HydrophobicContact CZ-CG 4.29Å; F104-L108 VanDerWaalsContact O-CG 3.3Å; F104-L108 WeakPolarHBondContact O-CG 3.32Å; F104-L108 PolarHBondContact O-N 3.15Å; F104-L108 VanDerWaalsContact O-N 3.1Å; F104-L117 HydrophobicContact CE1-CD1 4.2Å; F104-F125 HydrophobicContact CB-CD2 4Å; F104-F125 HydrophobicContact CB-CE2 3.67Å; F104-F125 HydrophobicContact CD2-CE2 4.02Å; F104-F125 HydrophobicContact CD2-CZ 4.43Å; F104-F125 HydrophobicContact CG-CD2 4.42Å; F104-F125 AromaticContact CG-CE2 3.98Å; F104-F125 HydrophobicContact CG-CE2 3.98Å; F104-A128 HydrophobicContact CD1-CB 3.87Å; F104-A128 HydrophobicContact CE1-CB 4.1Å; F104-V129 HydrophobicContact CD2-CG2 4.39Å; F104-V129 HydrophobicContact CE1-CG2 4.22Å; F104-V129 HydrophobicContact CE2-CG2 3.94Å; F104-V129 HydrophobicContact CZ-CB 4.34Å; F104-V129 HydrophobicContact CZ-CG2 3.84Å; F104-A132 HydrophobicContact CE1-CB 4.02Å; F104-A132 HydrophobicContact CZ-CB 3.94Å
105I97.1Very high95.8Very high19 Ų1955 Ų5510%0.09727%0.272CS..Hα-helixtrans-61.7-45.3-179.4-65.4167.3000110.7K101 E102 Q114 L117 L118 P122K101-I105 HydrophobicContact CG-CD1 4.08Å; K101-I105 VanDerWaalsContact O-CG1 3.28Å; K101-I105 WeakPolarHBondContact O-CG1 3.41Å; K101-I105 PolarHBondContact O-N 3.47Å; E102-I105 PolarHBondContact O-N 3.44Å; I105-Q114 VanDerWaalsContact O-CG 3.3Å; I105-Q114 WeakPolarHBondContact O-CG 3.25Å; I105-L117 HydrophobicContact CD1-CB 4.46Å; I105-L117 HydrophobicContact CG1-CB 4.12Å; I105-L117 HydrophobicContact CG1-CD1 4.28Å; I105-L117 HydrophobicContact CG2-CB 4.34Å; I105-L118 HydrophobicContact CG2-CD2 3.8Å; I105-L118 HydrophobicContact CG2-CG 3.91Å; I105-P122 HydrophobicContact CD1-CG 3.93Å
106M95.1Very high96Very high125 Ų12556.1 Ų56.162%0.61628%0.278SS*.Hα-helixtrans-71.2-33.1-179.9-68.2-169.3-6300112.9E102 F104 Q114E102-M106 WeakPolarHBondContact O-CG 3.17Å; E102-M106 PolarHBondContact O-N 3.39Å; F104-M106 PolarHBondContact O-N 2.78Å; M106-Q114 PolarHBondContact O-NE2 3.43Å; M106-Q114 VanDerWaalsContact O-NE2 3.11Å
107G96.5Very high96.1Very high3 Ų349.9 Ų49.93%0.03125%0.249CC..Hα-helixtrans-86.5-11.6-174.200000115.1V72 Q73 Q103 F104V72-G107 CarbonylContact C-O 3.45Å; V72-G107 WeakPolarHBondContact CA-O 3.4Å; Q73-G107 WeakPolarHBondContact CB-O 3.46Å; Q73-G107 PolarHBondContact N-O 2.92Å; Q103-G107 WeakPolarHBondContact O-CA 3.2Å; Q103-G107 PolarHBondContact O-N 2.75Å; F104-G107 PolarHBondContact O-N 2.95Å
108L97.2Very high96.1Very high5 Ų551.9 Ų51.93%0.02626%0.259CS..  trans-59.9141.1178.5-85.2169.2000112.6V79 F82 F104 Q114 L117 A132V79-L108 HydrophobicContact CG1-CD2 4.43Å; F82-L108 HydrophobicContact CD1-CD2 4.08Å; F82-L108 HydrophobicContact CE1-CD2 4.16Å; F82-L108 HydrophobicContact CE1-CG 4.19Å; F104-L108 HydrophobicContact CD1-CD1 4.21Å; F104-L108 HydrophobicContact CE1-CD1 3.81Å; F104-L108 HydrophobicContact CE1-CD2 4.49Å; F104-L108 HydrophobicContact CE1-CG 4.31Å; F104-L108 HydrophobicContact CE2-CD2 4.17Å; F104-L108 HydrophobicContact CZ-CD1 4.15Å; F104-L108 HydrophobicContact CZ-CD2 4.01Å; F104-L108 HydrophobicContact CZ-CG 4.29Å; F104-L108 VanDerWaalsContact O-CG 3.3Å; F104-L108 WeakPolarHBondContact O-CG 3.32Å; F104-L108 PolarHBondContact O-N 3.15Å; F104-L108 VanDerWaalsContact O-N 3.1Å; L108-Q114 HydrophobicContact CB-CG 3.89Å; L108-Q114 PolarHBondContact O-NE2 3.04Å; L108-L117 HydrophobicContact CD1-CD1 3.22Å; L108-A132 HydrophobicContact CD1-CB 4.47Å
109Q95.5Very high96Very high94 Ų9454 Ų5444%0.43927%0.271SS..SBendtrans-72.8-37.4-179.1-175.9179.947.900112.4Q73 T111Q73-Q109 HydrophobicContact CB-CB 4.09Å; Q73-Q109 HydrophobicContact CG-CB 4.11Å; Q109-T111 PolarHBondContact O-N 2.86Å
110D94.5Very high96Very high40 Ų4057.4 Ų57.421%0.21428%0.283CS..  trans-81.3103.5-176.5-179.43.3000111A112 A113 Q114 Y135 Q139D110-A112 PolarHBondContact O-N 3.47Å; D110-A112 VanDerWaalsContact O-N 3.14Å; D110-A112 WeakPolarHBondContact OD1-CA 3.42Å; D110-A112 VanDerWaalsContact OD1-CB 3.29Å; D110-A112 WeakPolarHBondContact OD1-CB 3.3Å; D110-A112 PolarHBondContact OD1-N 3.33Å; D110-A113 HydrophobicContact CB-CB 3.85Å; D110-A113 WeakPolarHBondContact O-CB 3.42Å; D110-A113 PolarHBondContact O-N 3.45Å; D110-A113 PolarHBondContact OD1-N 3.02Å; D110-Q114 WeakPolarHBondContact O-CG 3.43Å; D110-Q114 PolarHBondContact O-N 3.34Å; D110-Y135 WeakPolarHBondContact OD2-CE1 3.31Å; D110-Q139 PolarHBondContact OD2-NE2 3.28Å; D110-Q139 PolarHBondContact OD2-OE1 3.49Å
111T94.5Very high95.9Very high76 Ų7666.1 Ų66.147%0.46631%0.314SS..Hα-helixtrans-59.6-23.6177.570.90000113.6Q109 R115Q109-T111 PolarHBondContact O-N 2.86Å; T111-R115 WeakPolarHBondContact O-CG 3.36Å; T111-R115 PolarHBondContact O-N 3.27Å; T111-R115 PolarHBondContact O-NH1 2.85Å; T111-R115 PolarHBondContact OG1-NH1 2.96Å; T111-R115 VanDerWaalsContact OG1-NH1 3.09Å
112A94.9Very high95.9Very high31 Ų3165.5 Ų65.526%0.25631%0.313SS..Hα-helixtrans-76.9-38.4175.800000110.9D110 R115 H116 Y135D110-A112 PolarHBondContact O-N 3.47Å; D110-A112 VanDerWaalsContact O-N 3.14Å; D110-A112 WeakPolarHBondContact OD1-CA 3.42Å; D110-A112 VanDerWaalsContact OD1-CB 3.29Å; D110-A112 WeakPolarHBondContact OD1-CB 3.3Å; D110-A112 PolarHBondContact OD1-N 3.33Å; A112-R115 PolarHBondContact O-N 3.23Å; A112-H116 WeakPolarHBondContact O-CB 3.48Å; A112-H116 PolarHBondContact O-N 2.91Å; A112-Y135 HydrophobicContact CB-CE1 4.28Å; A112-Y135 WeakPolarHBondContact CB-OH 3.26Å
113A95.7Very high95.9Very high5 Ų566 Ų664%0.04132%0.319CS..Hα-helixtrans-64.2-42.2170.400000112D110 R115 H116 L117 Y135D110-A113 HydrophobicContact CB-CB 3.85Å; D110-A113 WeakPolarHBondContact O-CB 3.42Å; D110-A113 PolarHBondContact O-N 3.45Å; D110-A113 PolarHBondContact OD1-N 3.02Å; A113-R115 PolarHBondContact O-N 3.46Å; A113-H116 WeakPolarHBondContact O-CB 3.26Å; A113-H116 PolarHBondContact O-N 3.34Å; A113-L117 WeakPolarHBondContact O-CG 3.47Å; A113-L117 PolarHBondContact O-N 2.87Å; A113-Y135 HydrophobicContact CB-CD1 3.57Å; A113-Y135 HydrophobicContact CB-CE1 3.77Å; A113-Y135 HydrophobicContact CB-CG 4.43Å
114Q96.5Very high95.9Very high48 Ų4867.3 Ų67.322%0.22433%0.33CS..Hα-helixtrans-55.4-50.8175-65.6-170.4-10.400111.5I105 M106 L108 D110 H116 L117 L118I105-Q114 VanDerWaalsContact O-CG 3.3Å; I105-Q114 WeakPolarHBondContact O-CG 3.25Å; M106-Q114 PolarHBondContact O-NE2 3.43Å; M106-Q114 VanDerWaalsContact O-NE2 3.11Å; L108-Q114 HydrophobicContact CB-CG 3.89Å; L108-Q114 PolarHBondContact O-NE2 3.04Å; D110-Q114 WeakPolarHBondContact O-CG 3.43Å; D110-Q114 PolarHBondContact O-N 3.34Å; Q114-H116 VanDerWaalsContact C-N 3.34Å; Q114-H116 PolarHBondContact O-N 3.02Å; Q114-L117 PolarHBondContact O-N 2.9Å; Q114-L118 WeakPolarHBondContact O-CG 3.49Å; Q114-L118 PolarHBondContact O-N 3.18Å
115R96Very high95.9Very high151 Ų15167.4 Ų67.457%0.5733%0.33SS*.Hα-helixtrans-60.7-43.3177.5-71179.5-167.898.4-4.2111.7T111 A112 A113 L117 L118 D119T111-R115 WeakPolarHBondContact O-CG 3.36Å; T111-R115 PolarHBondContact O-N 3.27Å; T111-R115 PolarHBondContact O-NH1 2.85Å; T111-R115 PolarHBondContact OG1-NH1 2.96Å; T111-R115 VanDerWaalsContact OG1-NH1 3.09Å; A112-R115 PolarHBondContact O-N 3.23Å; A113-R115 PolarHBondContact O-N 3.46Å; R115-L117 VanDerWaalsContact C-N 3.28Å; R115-L117 PolarHBondContact O-N 2.87Å; R115-L118 PolarHBondContact O-N 3.43Å; R115-D119 PolarHBondContact O-N 3.45Å
116H96.1Very high96Very high63 Ų6370.8 Ų70.829%0.29235%0.349SS..Hα-helixtrans-59.8-39177.8-168.867.3000112.4A112 A113 Q114 K120 Y135A112-H116 WeakPolarHBondContact O-CB 3.48Å; A112-H116 PolarHBondContact O-N 2.91Å; A113-H116 WeakPolarHBondContact O-CB 3.26Å; A113-H116 PolarHBondContact O-N 3.34Å; Q114-H116 VanDerWaalsContact C-N 3.34Å; Q114-H116 PolarHBondContact O-N 3.02Å; H116-K120 WeakPolarHBondContact O-CB 3.44Å; H116-K120 VanDerWaalsContact O-CG 3.22Å; H116-K120 WeakPolarHBondContact O-CG 3.34Å; H116-K120 PolarHBondContact O-N 2.82Å; H116-Y135 HydrophobicContact CB-CD2 3.91Å; H116-Y135 HydrophobicContact CB-CE2 3.97Å; H116-Y135 AromaticContact CD2-CD2 3.66Å; H116-Y135 AromaticContact CG-CD2 3.64Å; H116-Y135 AromaticContact CG-CE2 4Å
117L97.3Very high96.1Very high1 Ų168.5 Ų68.51%0.00534%0.336CS..Hα-helixtrans-69-43.1176-73.6161.5000112.4F104 I105 L108 A113 Q114 R115 D119 K120 R121 P122 A128 I131 A132F104-L117 HydrophobicContact CE1-CD1 4.2Å; I105-L117 HydrophobicContact CD1-CB 4.46Å; I105-L117 HydrophobicContact CG1-CB 4.12Å; I105-L117 HydrophobicContact CG1-CD1 4.28Å; I105-L117 HydrophobicContact CG2-CB 4.34Å; L108-L117 HydrophobicContact CD1-CD1 3.22Å; A113-L117 WeakPolarHBondContact O-CG 3.47Å; A113-L117 PolarHBondContact O-N 2.87Å; Q114-L117 PolarHBondContact O-N 2.9Å; R115-L117 VanDerWaalsContact C-N 3.28Å; R115-L117 PolarHBondContact O-N 2.87Å; L117-D119 VanDerWaalsContact C-N 3.28Å; L117-D119 PolarHBondContact O-N 3.44Å; L117-K120 PolarHBondContact O-N 3.41Å; L117-R121 PolarHBondContact O-N 2.75Å; L117-P122 HydrophobicContact CD2-CG 4.43Å; L117-P122 VanDerWaalsContact O-CD 3.24Å; L117-P122 WeakPolarHBondContact O-CD 3.34Å; L117-A128 HydrophobicContact CD2-CB 4.18Å; L117-A128 WeakPolarHBondContact CD2-O 3.36Å; L117-I131 HydrophobicContact CD2-CB 3.64Å; L117-I131 HydrophobicContact CD2-CD1 4.43Å; L117-I131 HydrophobicContact CD2-CG2 3.52Å; L117-I131 HydrophobicContact CG-CG2 4.27Å; L117-A132 HydrophobicContact CD1-CB 4.33Å
118L95Very high96.2Very high106 Ų10668.3 Ų68.356%0.55534%0.335SS*.Hα-helixtrans-61.5-36.8176.2-70.3172.6000112.2I105 Q114 R115 R121I105-L118 HydrophobicContact CG2-CD2 3.8Å; I105-L118 HydrophobicContact CG2-CG 3.91Å; Q114-L118 WeakPolarHBondContact O-CG 3.49Å; Q114-L118 PolarHBondContact O-N 3.18Å; R115-L118 PolarHBondContact O-N 3.43Å; L118-R121 WeakPolarHBondContact O-CG 3.5Å
119D95Very high96.2Very high137 Ų13768.3 Ų68.373%0.73334%0.335SS*.Hα-helixtrans-72.1-39.1175.9-74.5-14.9000112.3R115 L117R115-D119 PolarHBondContact O-N 3.45Å; L117-D119 VanDerWaalsContact C-N 3.28Å; L117-D119 PolarHBondContact O-N 3.44Å
120K94.9Very high96.3Very high127 Ų12768.4 Ų68.455%0.55234%0.335SS*.Hα-helixtrans-74.5-27.9-179.9-74.9-73-177.4178.60113.7H116 L117 I131H116-K120 WeakPolarHBondContact O-CB 3.44Å; H116-K120 VanDerWaalsContact O-CG 3.22Å; H116-K120 WeakPolarHBondContact O-CG 3.34Å; H116-K120 PolarHBondContact O-N 2.82Å; L117-K120 PolarHBondContact O-N 3.41Å; K120-I131 HydrophobicContact CB-CD1 4.07Å; K120-I131 HydrophobicContact CG-CG2 4.35Å
121R94.9Very high96.5Very high203 Ų20367.4 Ų67.477%0.76633%0.33SS*.  trans51.676-176.5-62.4-175.2176.8178.9-2.7112.3L117 L118 D123L117-R121 PolarHBondContact O-N 2.75Å; L118-R121 WeakPolarHBondContact O-CG 3.5Å; R121-D123 PolarHBondContact O-N 3.36Å
122P96.7Very high96.6Very high12 Ų1263.9 Ų63.98%0.07831%0.308CS..  trans-59.8138.7173.624.3-31.3000111.1K101 I105 L117 Q127 A128 I131K101-P122 HydrophobicContact CD-CB 4.38Å; K101-P122 HydrophobicContact CD-CG 4.15Å; K101-P122 VanDerWaalsContact CD-O 3.31Å; K101-P122 WeakPolarHBondContact CD-O 3.46Å; K101-P122 HydrophobicContact CG-CG 4.31Å; I105-P122 HydrophobicContact CD1-CG 3.93Å; L117-P122 HydrophobicContact CD2-CG 4.43Å; L117-P122 VanDerWaalsContact O-CD 3.24Å; L117-P122 WeakPolarHBondContact O-CD 3.34Å; P122-Q127 HydrophobicContact CB-CB 4.21Å; P122-Q127 HydrophobicContact CB-CG 4.39Å; P122-A128 HydrophobicContact CB-CB 3.84Å; P122-A128 HydrophobicContact CG-CB 3.65Å; P122-I131 HydrophobicContact CB-CD1 4.16Å
123D95.5Very high96.7Very high128 Ų12866 Ų6668%0.68431%0.312SS*.SBendtrans-75-32.1174.2-59.2-44000111K101 R121K101-D123 PolarHBondContact NZ-O 2.78Å; R121-D123 PolarHBondContact O-N 3.36Å
124S97.9Very high96.8Very high40 Ų4071.2 Ų71.228%0.2834%0.335SS..SBendtrans-136.7165.2-179.971.20000114.5D97 Q127 A128D97-S124 WeakPolarHBondContact OD2-CA 3.28Å; D97-S124 VanDerWaalsContact OD2-CB 3.26Å; D97-S124 WeakPolarHBondContact OD2-CB 3.46Å; S124-Q127 PolarHBondContact O-N 3.15Å; S124-Q127 PolarHBondContact OG-N 3.45Å; S124-A128 PolarHBondContact O-N 3.46Å
125F97.9Very high96.8Very high2 Ų271.3 Ų71.31%0.00933%0.334CS..Hα-helixtrans-57.4-48.2174.6176.2-101.9000112A83 L86 R87 D97 L100 K101 F104 Q127 A128 V129A83-F125 HydrophobicContact CB-CE1 4.34Å; A83-F125 HydrophobicContact CB-CZ 3.92Å; L86-F125 HydrophobicContact CB-CE2 4.42Å; L86-F125 HydrophobicContact CB-CZ 4.33Å; L86-F125 HydrophobicContact CD1-CE2 4.38Å; R87-F125 HydrophobicContact CG-CD1 4.41Å; R87-F125 HydrophobicContact CG-CE1 3.6Å; R87-F125 HydrophobicContact CG-CZ 4.1Å; D97-F125 WeakPolarHBondContact OD1-CB 3.43Å; D97-F125 PolarHBondContact OD1-N 2.86Å; D97-F125 PolarHBondContact OD2-N 3.14Å; L100-F125 VanDerWaalsContact C-CD2 3.43Å; L100-F125 HydrophobicContact CB-CB 4.14Å; L100-F125 HydrophobicContact CB-CD2 3.52Å; L100-F125 HydrophobicContact CB-CE2 3.96Å; L100-F125 HydrophobicContact CB-CG 3.89Å; L100-F125 WeakPolarHBondContact O-CD2 2.91Å; K101-F125 HydrophobicContact CB-CB 4.3Å; F104-F125 HydrophobicContact CB-CD2 4Å; F104-F125 HydrophobicContact CB-CE2 3.67Å; F104-F125 HydrophobicContact CD2-CE2 4.02Å; F104-F125 HydrophobicContact CD2-CZ 4.43Å; F104-F125 HydrophobicContact CG-CD2 4.42Å; F104-F125 AromaticContact CG-CE2 3.98Å; F104-F125 HydrophobicContact CG-CE2 3.98Å; F125-Q127 VanDerWaalsContact C-N 3.27Å; F125-Q127 PolarHBondContact O-N 2.96Å; F125-A128 WeakPolarHBondContact O-CA 3.35Å; F125-A128 VanDerWaalsContact O-CB 3.29Å; F125-A128 WeakPolarHBondContact O-CB 3.49Å; F125-A128 PolarHBondContact O-N 3.38Å; F125-V129 HydrophobicContact CD1-CG2 4.2Å; F125-V129 HydrophobicContact CE1-CG2 3.84Å; F125-V129 HydrophobicContact CE2-CG2 4.43Å; F125-V129 HydrophobicContact CZ-CG2 4Å; F125-V129 WeakPolarHBondContact O-CG2 3.46Å; F125-V129 PolarHBondContact O-N 2.87Å
126D97.7Very high96.7Very high90 Ų9068 Ų6848%0.48132%0.321SS..Hα-helixtrans-62.9-35179.6-74.1-35.3000112.3R87 V129 Q130R87-D126 IonicContact CZ-OD1 3.74Å; R87-D126 IonicContact NE-OD1 3.83Å; R87-D126 IonicContact NH2-OD1 2.8Å; R87-D126 PolarHBondContact NH2-OD1 3.29Å; D126-V129 PolarHBondContact O-N 3.23Å; D126-Q130 WeakPolarHBondContact O-CB 3.46Å; D126-Q130 PolarHBondContact O-N 3Å
127Q97.8Very high96.7Very high76 Ų7668 Ų6836%0.35533%0.333SS..Hα-helixtrans-66.9-38.9173.6-165-174.128.400111.3P122 S124 F125 Q130 I131P122-Q127 HydrophobicContact CB-CB 4.21Å; P122-Q127 HydrophobicContact CB-CG 4.39Å; S124-Q127 PolarHBondContact O-N 3.15Å; S124-Q127 PolarHBondContact OG-N 3.45Å; F125-Q127 VanDerWaalsContact C-N 3.27Å; F125-Q127 PolarHBondContact O-N 2.96Å; Q127-Q130 PolarHBondContact O-N 2.93Å; Q127-I131 HydrophobicContact CG-CD1 4.11Å; Q127-I131 VanDerWaalsContact O-CG1 3.27Å; Q127-I131 WeakPolarHBondContact O-CG1 3.2Å; Q127-I131 PolarHBondContact O-N 3.09Å
128A98.2Very high96.6Very high0 Ų070.6 Ų70.60%035%0.354CS..Hα-helixtrans-60.9-45.5174.200000111.4K101 F104 L117 P122 S124 F125 Q130 I131 A132K101-A128 HydrophobicContact CG-CB 4.36Å; F104-A128 HydrophobicContact CD1-CB 3.87Å; F104-A128 HydrophobicContact CE1-CB 4.1Å; L117-A128 HydrophobicContact CD2-CB 4.18Å; L117-A128 WeakPolarHBondContact CD2-O 3.36Å; P122-A128 HydrophobicContact CB-CB 3.84Å; P122-A128 HydrophobicContact CG-CB 3.65Å; S124-A128 PolarHBondContact O-N 3.46Å; F125-A128 WeakPolarHBondContact O-CA 3.35Å; F125-A128 VanDerWaalsContact O-CB 3.29Å; F125-A128 WeakPolarHBondContact O-CB 3.49Å; F125-A128 PolarHBondContact O-N 3.38Å; A128-Q130 VanDerWaalsContact C-N 3.34Å; A128-Q130 PolarHBondContact O-N 3.47Å; A128-I131 PolarHBondContact O-N 3.24Å; A128-A132 WeakPolarHBondContact O-CB 3.31Å; A128-A132 PolarHBondContact O-N 3.42Å
129V98.3Very high96.6Very high5 Ų568.5 Ų68.53%0.0334%0.341CS..Hα-helixtrans-59.6-45175.5175.60000110.9A83 F104 F125 D126 I131 A132 K133A83-V129 HydrophobicContact CB-CG1 4.33Å; A83-V129 HydrophobicContact CB-CG2 3.72Å; F104-V129 HydrophobicContact CD2-CG2 4.39Å; F104-V129 HydrophobicContact CE1-CG2 4.22Å; F104-V129 HydrophobicContact CE2-CG2 3.94Å; F104-V129 HydrophobicContact CZ-CB 4.34Å; F104-V129 HydrophobicContact CZ-CG2 3.84Å; F125-V129 HydrophobicContact CD1-CG2 4.2Å; F125-V129 HydrophobicContact CE1-CG2 3.84Å; F125-V129 HydrophobicContact CE2-CG2 4.43Å; F125-V129 HydrophobicContact CZ-CG2 4Å; F125-V129 WeakPolarHBondContact O-CG2 3.46Å; F125-V129 PolarHBondContact O-N 2.87Å; D126-V129 PolarHBondContact O-N 3.23Å; V129-I131 PolarHBondContact O-N 3.16Å; V129-A132 PolarHBondContact O-N 3.33Å; V129-K133 HydrophobicContact CG1-CD 4.31Å; V129-K133 WeakPolarHBondContact O-CG 3.34Å; V129-K133 PolarHBondContact O-N 3.03Å
130Q97.9Very high96.5Very high96 Ų9664.7 Ų64.745%0.44933%0.329SS..Hα-helixtrans-65.1-41.1180-174.162.26.200112.7D126 Q127 A128 A132 K133 Q134D126-Q130 WeakPolarHBondContact O-CB 3.46Å; D126-Q130 PolarHBondContact O-N 3Å; Q127-Q130 PolarHBondContact O-N 2.93Å; A128-Q130 VanDerWaalsContact C-N 3.34Å; A128-Q130 PolarHBondContact O-N 3.47Å; Q130-A132 VanDerWaalsContact C-N 3.35Å; Q130-K133 PolarHBondContact O-N 3.32Å; Q130-Q134 VanDerWaalsContact O-CG 3.31Å; Q130-Q134 WeakPolarHBondContact O-CG 3.26Å; Q130-Q134 PolarHBondContact O-N 3.1Å
131I97.6Very high96.6Very high19 Ų1962.1 Ų62.110%0.09733%0.327CS..Hα-helixtrans-63.5-42.5175.2-68.4164.9000110.3L117 K120 P122 Q127 A128 V129 K133 Q134 Y135L117-I131 HydrophobicContact CD2-CB 3.64Å; L117-I131 HydrophobicContact CD2-CD1 4.43Å; L117-I131 HydrophobicContact CD2-CG2 3.52Å; L117-I131 HydrophobicContact CG-CG2 4.27Å; K120-I131 HydrophobicContact CB-CD1 4.07Å; K120-I131 HydrophobicContact CG-CG2 4.35Å; P122-I131 HydrophobicContact CB-CD1 4.16Å; Q127-I131 HydrophobicContact CG-CD1 4.11Å; Q127-I131 VanDerWaalsContact O-CG1 3.27Å; Q127-I131 WeakPolarHBondContact O-CG1 3.2Å; Q127-I131 PolarHBondContact O-N 3.09Å; A128-I131 PolarHBondContact O-N 3.24Å; V129-I131 PolarHBondContact O-N 3.16Å; I131-K133 PolarHBondContact O-N 3.04Å; I131-Q134 PolarHBondContact O-N 3.34Å; I131-Y135 WeakPolarHBondContact O-CB 3.23Å; I131-Y135 PolarHBondContact O-N 2.69Å
132A97.6Very high96.6Very high2 Ų256 Ų562%0.01731%0.312CS..Hα-helixtrans-62.2-41.5177.200000112.4V79 F104 L108 L117 A128 V129 Q130 Y135 R136V79-A132 HydrophobicContact CG1-CB 3.91Å; F104-A132 HydrophobicContact CE1-CB 4.02Å; F104-A132 HydrophobicContact CZ-CB 3.94Å; L108-A132 HydrophobicContact CD1-CB 4.47Å; L117-A132 HydrophobicContact CD1-CB 4.33Å; A128-A132 WeakPolarHBondContact O-CB 3.31Å; A128-A132 PolarHBondContact O-N 3.42Å; V129-A132 PolarHBondContact O-N 3.33Å; Q130-A132 VanDerWaalsContact C-N 3.35Å; A132-Y135 PolarHBondContact O-N 3.43Å; A132-R136 PolarHBondContact O-N 2.87Å
133K97Very high96.4Very high75 Ų7559.9 Ų59.933%0.32633%0.329SS..Hα-helixtrans-61.2-47.8174.1-74.2175.8176-174.80112.3D80 V129 Q130 I131 Y135 R136 A137D80-K133 WeakPolarHBondContact OD1-CE 3.37Å; D80-K133 IonicContact OD1-NZ 3.9Å; D80-K133 PolarHBondContact OD1-NZ 3.06Å; D80-K133 VanDerWaalsContact OD2-CE 3.29Å; D80-K133 WeakPolarHBondContact OD2-CE 3.31Å; D80-K133 IonicContact OD2-NZ 2.79Å; V129-K133 HydrophobicContact CG1-CD 4.31Å; V129-K133 WeakPolarHBondContact O-CG 3.34Å; V129-K133 PolarHBondContact O-N 3.03Å; Q130-K133 PolarHBondContact O-N 3.32Å; I131-K133 PolarHBondContact O-N 3.04Å; K133-Y135 VanDerWaalsContact C-N 3.27Å; K133-Y135 PolarHBondContact O-N 3.39Å; K133-R136 PolarHBondContact O-N 3.36Å; K133-A137 WeakPolarHBondContact O-CB 3.47Å; K133-A137 PolarHBondContact O-N 3.31Å
134Q96.9Very high96.3Very high114 Ų11458.3 Ų58.353%0.53332%0.32SS..Hα-helixtrans-60.9-40.1177.3-72.7175.52.600111.5Q130 I131 A137 A138Q130-Q134 VanDerWaalsContact O-CG 3.31Å; Q130-Q134 WeakPolarHBondContact O-CG 3.26Å; Q130-Q134 PolarHBondContact O-N 3.1Å; I131-Q134 PolarHBondContact O-N 3.34Å; Q134-A137 PolarHBondContact O-N 3.49Å; Q134-A138 WeakPolarHBondContact O-CB 3.19Å; Q134-A138 PolarHBondContact O-N 3.44Å
135Y96.6Very high96.1Very high50 Ų5062.5 Ų62.520%0.19634%0.337CS..Hα-helixtrans-62.5-47.9177.1-174.3-98.5000111.9D110 A112 A113 H116 I131 A132 K133 A137 A138 Q139D110-Y135 WeakPolarHBondContact OD2-CE1 3.31Å; A112-Y135 HydrophobicContact CB-CE1 4.28Å; A112-Y135 WeakPolarHBondContact CB-OH 3.26Å; A113-Y135 HydrophobicContact CB-CD1 3.57Å; A113-Y135 HydrophobicContact CB-CE1 3.77Å; A113-Y135 HydrophobicContact CB-CG 4.43Å; H116-Y135 HydrophobicContact CB-CD2 3.91Å; H116-Y135 HydrophobicContact CB-CE2 3.97Å; H116-Y135 AromaticContact CD2-CD2 3.66Å; H116-Y135 AromaticContact CG-CD2 3.64Å; H116-Y135 AromaticContact CG-CE2 4Å; I131-Y135 WeakPolarHBondContact O-CB 3.23Å; I131-Y135 PolarHBondContact O-N 2.69Å; A132-Y135 PolarHBondContact O-N 3.43Å; K133-Y135 VanDerWaalsContact C-N 3.27Å; K133-Y135 PolarHBondContact O-N 3.39Å; Y135-A137 PolarHBondContact O-N 2.85Å; Y135-A138 PolarHBondContact O-N 2.9Å; Y135-Q139 HydrophobicContact CD1-CG 4.34Å; Y135-Q139 HydrophobicContact CE1-CG 3.96Å; Y135-Q139 PolarHBondContact O-N 2.88Å; Y135-Q139 PolarHBondContact OH-NE2 2.83Å; Y135-Q139 VanDerWaalsContact OH-NE2 3.13Å
136R94.8Very high95.8Very high82 Ų8267.3 Ų67.331%0.30936%0.36SS..Hα-helixtrans-61.7-42.6175.1-76.9-158.6176.3178.45112.5V79 A132 K133 A138 Q139 A140V79-R136 HydrophobicContact CG2-CG 4.36Å; V79-R136 VanDerWaalsContact CG2-NE 3.26Å; A132-R136 PolarHBondContact O-N 2.87Å; K133-R136 PolarHBondContact O-N 3.36Å; R136-A138 VanDerWaalsContact C-N 3.32Å; R136-A138 PolarHBondContact O-N 2.82Å; R136-Q139 PolarHBondContact O-N 2.8Å; R136-A140 PolarHBondContact O-N 3.48Å
137A95.2Very high95.5Very high64 Ų6470.5 Ų70.553%0.52937%0.365SS..Hα-helixtrans-62.2-39.7176.700000112.1K133 Q134 Y135 S141K133-A137 WeakPolarHBondContact O-CB 3.47Å; K133-A137 PolarHBondContact O-N 3.31Å; Q134-A137 PolarHBondContact O-N 3.49Å; Y135-A137 PolarHBondContact O-N 2.85Å; A137-S141 PolarHBondContact O-N 2.84Å
138A95.3Very high95.2Very high55 Ų5574.6 Ų74.646%0.45538%0.377SS..Hα-helixtrans-65.3-44.4175.200000111.8Q134 Y135 R136 S141 V142Q134-A138 WeakPolarHBondContact O-CB 3.19Å; Q134-A138 PolarHBondContact O-N 3.44Å; Y135-A138 PolarHBondContact O-N 2.9Å; R136-A138 VanDerWaalsContact C-N 3.32Å; R136-A138 PolarHBondContact O-N 2.82Å; A138-S141 WeakPolarHBondContact O-CB 3.44Å; A138-S141 PolarHBondContact O-N 3.31Å; A138-V142 WeakPolarHBondContact O-CG2 3.36Å; A138-V142 PolarHBondContact O-N 3.23Å
139Q94.3Very high94.8Very high61 Ų6182 Ų8229%0.28541%0.405SS..Hα-helixtrans-59.6-46.8175.2-75.9-174.7-30.700111.8D110 Y135 R136 S141 V142 E143D110-Q139 PolarHBondContact OD2-NE2 3.28Å; D110-Q139 PolarHBondContact OD2-OE1 3.49Å; Y135-Q139 HydrophobicContact CD1-CG 4.34Å; Y135-Q139 HydrophobicContact CE1-CG 3.96Å; Y135-Q139 PolarHBondContact O-N 2.88Å; Y135-Q139 PolarHBondContact OH-NE2 2.83Å; Y135-Q139 VanDerWaalsContact OH-NE2 3.13Å; R136-Q139 PolarHBondContact O-N 2.8Å; Q139-S141 VanDerWaalsContact C-N 3.29Å; Q139-S141 PolarHBondContact O-N 3.46Å; Q139-V142 PolarHBondContact O-N 3.35Å; Q139-V142 VanDerWaalsContact O-N 3.16Å; Q139-E143 WeakPolarHBondContact O-CG 3.48Å; Q139-E143 PolarHBondContact O-N 3.46Å
140A93.9Very high94.2Very high58 Ų5890.2 Ų90.248%0.47944%0.436SS..Hα-helixtrans-60.1-39.1177.700000112.5R136 N144R136-A140 PolarHBondContact O-N 3.48Å; A140-N144 WeakPolarHBondContact O-CB 3.42Å; A140-N144 PolarHBondContact O-N 3.34Å
141S96.1Very high93.5Very high72 Ų7291.4 Ų91.450%0.50344%0.444SS..Hα-helixtrans-64.1-44.2175-175.70000112.1A137 A138 Q139 N144 M145A137-S141 PolarHBondContact O-N 2.84Å; A138-S141 WeakPolarHBondContact O-CB 3.44Å; A138-S141 PolarHBondContact O-N 3.31Å; Q139-S141 VanDerWaalsContact C-N 3.29Å; Q139-S141 PolarHBondContact O-N 3.46Å; S141-N144 PolarHBondContact O-N 3.29Å; S141-M145 WeakPolarHBondContact O-CB 3.49Å; S141-M145 PolarHBondContact O-N 3.3Å
142V94.6Very high92.5Very high75 Ų7597.8 Ų97.846%0.45548%0.476SS..Hα-helixtrans-63.5-45.4176.7171.80000111A138 Q139 N144 M145 Q146A138-V142 WeakPolarHBondContact O-CG2 3.36Å; A138-V142 PolarHBondContact O-N 3.23Å; Q139-V142 PolarHBondContact O-N 3.35Å; Q139-V142 VanDerWaalsContact O-N 3.16Å; V142-N144 PolarHBondContact O-N 3.07Å; V142-M145 WeakPolarHBondContact O-CB 3.29Å; V142-M145 PolarHBondContact O-N 3.13Å; V142-Q146 HydrophobicContact CG1-CG 4.42Å; V142-Q146 VanDerWaalsContact O-CG 3.31Å; V142-Q146 WeakPolarHBondContact O-CG 3.34Å; V142-Q146 PolarHBondContact O-N 2.93Å
143E93.5Very high91.4Very high94 Ų94103.1 Ų103.144%0.43951%0.508SS..Hα-helixtrans-60.7-43.8176.3-75.2-174.4-166.200112.2Q139 M145 Q146 R147Q139-E143 WeakPolarHBondContact O-CG 3.48Å; Q139-E143 PolarHBondContact O-N 3.46Å; E143-M145 VanDerWaalsContact C-N 3.33Å; E143-M145 PolarHBondContact O-N 3.47Å; E143-Q146 PolarHBondContact O-N 2.83Å; E143-R147 WeakPolarHBondContact O-CG 3.45Å; E143-R147 PolarHBondContact O-N 3.05Å; E143-R147 IonicContact OE2-NH2 2.77Å; E143-R147 PolarHBondContact OE2-NH2 3.23Å
144N93.6Very high90Very high94 Ų94104.8 Ų104.850%0.50352%0.524SS..Hα-helixtrans-61.5-43.6176.2-170.5-5.6000110.9A140 S141 V142 Q146 R147 R148A140-N144 WeakPolarHBondContact O-CB 3.42Å; A140-N144 PolarHBondContact O-N 3.34Å; S141-N144 PolarHBondContact O-N 3.29Å; V142-N144 PolarHBondContact O-N 3.07Å; N144-Q146 VanDerWaalsContact C-N 3.33Å; N144-Q146 PolarHBondContact O-N 2.94Å; N144-R147 PolarHBondContact O-N 3.14Å; N144-R148 WeakPolarHBondContact O-CG 3.37Å; N144-R148 PolarHBondContact O-N 2.94Å
145M92.6Very high88.1Confident129 Ų129102.2 Ų102.264%0.63553%0.528SS*.Hα-helixtrans-60.6-42175-169.6-178.2-57.700112S141 V142 E143 R148 R149S141-M145 WeakPolarHBondContact O-CB 3.49Å; S141-M145 PolarHBondContact O-N 3.3Å; V142-M145 WeakPolarHBondContact O-CB 3.29Å; V142-M145 PolarHBondContact O-N 3.13Å; E143-M145 VanDerWaalsContact C-N 3.33Å; E143-M145 PolarHBondContact O-N 3.47Å; M145-R148 PolarHBondContact O-N 3.04Å; M145-R149 WeakPolarHBondContact O-CB 3.13Å; M145-R149 PolarHBondContact O-N 3.01Å
146Q93Very high85.7Confident103 Ų103102.6 Ų102.648%0.48155%0.548SS..Hα-helixtrans-65.9-41.2176.5-72176.74.800112.2V142 E143 N144 R149 R150V142-Q146 HydrophobicContact CG1-CG 4.42Å; V142-Q146 VanDerWaalsContact O-CG 3.31Å; V142-Q146 WeakPolarHBondContact O-CG 3.34Å; V142-Q146 PolarHBondContact O-N 2.93Å; E143-Q146 PolarHBondContact O-N 2.83Å; N144-Q146 VanDerWaalsContact C-N 3.33Å; N144-Q146 PolarHBondContact O-N 2.94Å; Q146-R149 PolarHBondContact O-N 3.48Å; Q146-R150 WeakPolarHBondContact O-CG 3.49Å; Q146-R150 PolarHBondContact O-N 2.97Å
147R91Very high83.5Confident157 Ų157104.3 Ų104.359%0.59257%0.571SS**Hα-helixtrans-60.9-47.6174.2-72.1179-158.8-173.78.2110.9E143 N144 R149 R150 L151E143-R147 WeakPolarHBondContact O-CG 3.45Å; E143-R147 PolarHBondContact O-N 3.05Å; E143-R147 IonicContact OE2-NH2 2.77Å; E143-R147 PolarHBondContact OE2-NH2 3.23Å; N144-R147 PolarHBondContact O-N 3.14Å; R147-R149 PolarHBondContact O-N 3.26Å; R147-R150 PolarHBondContact O-N 3.36Å; R147-L151 WeakPolarHBondContact O-CG 3.36Å; R147-L151 PolarHBondContact O-N 2.9Å
148R90.8Very high81.4Confident162 Ų162109.9 Ų109.961%0.61159%0.586SS**Hα-helixtrans-59.5-44.5175.5-71.4177.667.8-168.51.1111.7N144 M145 R150 L151 M152N144-R148 WeakPolarHBondContact O-CG 3.37Å; N144-R148 PolarHBondContact O-N 2.94Å; M145-R148 PolarHBondContact O-N 3.04Å; R148-R150 PolarHBondContact O-N 3.44Å; R148-L151 PolarHBondContact O-N 3.37Å; R148-M152 VanDerWaalsContact O-CG 3.3Å; R148-M152 WeakPolarHBondContact O-CG 3.4Å; R148-M152 PolarHBondContact O-N 3.44Å; R148-M152 VanDerWaalsContact O-N 3.08Å
149R89.6Confident79.3Confident154 Ų154114.6 Ų114.658%0.58160%0.604SS**Hα-helixtrans-59.6-45175.9-174.4-179.7-179.7-171.41.8111.5M145 Q146 R147 L151 M152 V153 E184M145-R149 WeakPolarHBondContact O-CB 3.13Å; M145-R149 PolarHBondContact O-N 3.01Å; Q146-R149 PolarHBondContact O-N 3.48Å; R147-R149 PolarHBondContact O-N 3.26Å; R149-L151 PolarHBondContact O-N 3.25Å; R149-M152 PolarHBondContact O-N 2.81Å; R149-V153 WeakPolarHBondContact O-CG2 3.38Å; R149-V153 PolarHBondContact O-N 2.74Å; R149-V153 VanDerWaalsContact O-N 3.08Å; R149-E184 IonicContact NH2-OE1 3.55Å; R149-E184 PolarHBondContact NH2-OE1 3.25Å
150R85.8Confident77Confident178 Ų178115.6 Ų115.667%0.67263%0.631SS**Hα-helixtrans-60.1-46177.6-76-179.8-175.6174.83.4111.8Q146 R147 R148 M152 V153 T154Q146-R150 WeakPolarHBondContact O-CG 3.49Å; Q146-R150 PolarHBondContact O-N 2.97Å; R147-R150 PolarHBondContact O-N 3.36Å; R148-R150 PolarHBondContact O-N 3.44Å; R150-M152 VanDerWaalsContact C-N 3.29Å; R150-M152 PolarHBondContact O-N 3.45Å; R150-V153 PolarHBondContact O-N 2.94Å; R150-V153 VanDerWaalsContact O-N 3.11Å; R150-T154 PolarHBondContact O-N 3.05Å; R150-T154 PolarHBondContact O-OG1 2.85Å
151L83.5Confident75.1Confident121 Ų121121.8 Ų121.863%0.63464%0.643SS**Hα-helixtrans-60.3-38.3177.3-68.7171.9000112.5R147 R148 R149 V153 G155R147-L151 WeakPolarHBondContact O-CG 3.36Å; R147-L151 PolarHBondContact O-N 2.9Å; R148-L151 PolarHBondContact O-N 3.37Å; R149-L151 PolarHBondContact O-N 3.25Å; L151-V153 VanDerWaalsContact C-N 3.34Å; L151-G155 WeakPolarHBondContact O-CA 3.35Å; L151-G155 PolarHBondContact O-N 3.02Å
152M77.2Confident72.8Confident153 Ų153123.3 Ų123.375%0.75466%0.66SS**Hα-helixtrans-69.1-30.7176.3-63.9-65.4-174.900112.9R148 R149 R150R148-M152 VanDerWaalsContact O-CG 3.3Å; R148-M152 WeakPolarHBondContact O-CG 3.4Å; R148-M152 PolarHBondContact O-N 3.44Å; R148-M152 VanDerWaalsContact O-N 3.08Å; R149-M152 PolarHBondContact O-N 2.81Å; R150-M152 VanDerWaalsContact C-N 3.29Å; R150-M152 PolarHBondContact O-N 3.45Å
153V74.5Confident71.1Confident114 Ų114126.1 Ų126.169%0.69167%0.671SS**Hα-helixtrans-81.9-36.4179.1174.70000111.8R149 R150 L151R149-V153 WeakPolarHBondContact O-CG2 3.38Å; R149-V153 PolarHBondContact O-N 2.74Å; R149-V153 VanDerWaalsContact O-N 3.08Å; R150-V153 PolarHBondContact O-N 2.94Å; R150-V153 VanDerWaalsContact O-N 3.11Å; L151-V153 VanDerWaalsContact C-N 3.34Å
154T67.9Low69Low110 Ų110131.3 Ų131.368%0.67570%0.695SS**Hα-helixtrans-87.8-14.3179.560.20000113.4R150 G156R150-T154 PolarHBondContact O-N 3.05Å; R150-T154 PolarHBondContact O-OG1 2.85Å; T154-G156 PolarHBondContact O-N 3.22Å
155G55.6Low67.2Low60 Ų60129.3 Ų129.362%0.61970%0.697SS**  trans-7634.4-179.200000115.2L151 C157L151-G155 WeakPolarHBondContact O-CA 3.35Å; L151-G155 PolarHBondContact O-N 3.02Å; G155-C157 PolarHBondContact O-N 3.32Å
156G48Very low65.4Low58 Ų58129.4 Ų129.460%0.59871%0.71SS**  trans-6799.8168.600000110.5T154T154-G156 PolarHBondContact O-N 3.22Å
157C48.3Very low63.7Low118 Ų118127 Ų12780%0.79771%0.713SS**SBendtrans40.992.9149.9-55.70000116.7G155G155-C157 PolarHBondContact O-N 3.32Å
158Q50.4Low62.1Low181 Ų181122.5 Ų122.585%0.84670%0.704SS**  trans-171.888.1149.9-103.6155.79600108
159D50.3Low60.7Low154 Ų154117.9 Ų117.982%0.82470%0.697SS**  trans178.1128.3131-88.3-20.2000110.8Y161D159-Y161 PolarHBondContact O-N 3.47Å
160G46.4Very low59.9Low83 Ų83116.1 Ų116.186%0.85670%0.703SS**  trans-72.5123.1-166.700000113.8
161Y54.9Low59.6Low187 Ų187112 Ų11273%0.73370%0.698SS**  trans-143.5107.4147.148.8-85.5000107D159 I163D159-Y161 PolarHBondContact O-N 3.47Å; Y161-I163 VanDerWaalsContact C-N 3.32Å; Y161-I163 HydrophobicContact CD2-CD1 3.79Å; Y161-I163 HydrophobicContact CD2-CG1 4.02Å; Y161-I163 HydrophobicContact CE2-CD1 4.04Å; Y161-I163 PolarHBondContact O-N 2.86Å
162A46.5Very low59.3Low104 Ų104111.1 Ų111.186%0.8669%0.69SS**  trans-69.390.6174.400000108.6
163I59.7Low59.4Low135 Ų135107.4 Ų107.469%0.69267%0.674SS**  trans-88.8105.5159.2-67.6172.4000105.5Y161 G165Y161-I163 VanDerWaalsContact C-N 3.32Å; Y161-I163 HydrophobicContact CD2-CD1 3.79Å; Y161-I163 HydrophobicContact CD2-CG1 4.02Å; Y161-I163 HydrophobicContact CE2-CD1 4.04Å; Y161-I163 PolarHBondContact O-N 2.86Å; I163-G165 PolarHBondContact O-N 3.33Å
164E49.7Very low59.8Low203 Ų203108.2 Ų108.295%0.94967%0.67SS**  trans-65.877.2168.3-64-165.6162.700109.3
165G55.5Low60.7Low52 Ų52108.6 Ų108.654%0.53667%0.667SS.*  trans-112123.7164.200000107.2I163 G167I163-G165 PolarHBondContact O-N 3.33Å; G165-G167 VanDerWaalsContact C-N 3.27Å; G165-G167 PolarHBondContact O-N 3.34Å
166S55.7Low62.3Low131 Ų131109.7 Ų109.792%0.91666%0.658SS**  trans-4489.4170161.30000110.7
167G57.2Low64.1Low52 Ų52110.6 Ų110.654%0.53665%0.652SS.*PPolyproline II helixtrans-66.7149.1-179.800000110.2G165 S169G165-G167 VanDerWaalsContact C-N 3.27Å; G165-G167 PolarHBondContact O-N 3.34Å; G167-S169 PolarHBondContact O-N 3.22Å
168P56.8Low66.1Low62 Ų62108.7 Ų108.740%0.40364%0.636SS.*PPolyproline II helixtrans-50.3132.217320.5-30.9000108.9E172 N173P168-E172 HydrophobicContact CB-CB 4.07Å; P168-E172 HydrophobicContact CB-CG 4.08Å; P168-E172 VanDerWaalsContact CB-OE2 3.28Å; P168-E172 WeakPolarHBondContact CB-OE2 3.48Å; P168-N173 WeakPolarHBondContact CG-OD1 3.47Å; P168-N173 PolarHBondContact O-ND2 3.21Å
169S60.9Low68.1Low66 Ų66102.5 Ų102.546%0.46262%0.616SS.*PPolyproline II helixtrans-50.4147.4-177.8690000109.9G167 T171 E172 N173G167-S169 PolarHBondContact O-N 3.22Å; S169-T171 CarbonylContact O-C 3.53Å; S169-T171 PolarHBondContact O-N 2.94Å; S169-E172 WeakPolarHBondContact O-CA 3.31Å; S169-E172 WeakPolarHBondContact O-CB 3.46Å; S169-E172 PolarHBondContact O-N 2.68Å; S169-E172 PolarHBondContact OG-N 3.44Å; S169-N173 PolarHBondContact O-N 3.48Å
170T72.5Confident70.2Confident117 Ų117100.1 Ų100.172%0.71860%0.603SS**Hα-helixtrans-46.8-33.8178.6-45.90000112.1Q174T170-Q174 VanDerWaalsContact O-CB 3.26Å; T170-Q174 WeakPolarHBondContact O-CB 3.36Å; T170-Q174 PolarHBondContact O-N 3.45Å
171T79.6Confident72.4Confident91 Ų91102 Ų10256%0.55859%0.59SS**Hα-helixtrans-63.3-44174.5-36.30000113.4S169 Q174 L175S169-T171 CarbonylContact O-C 3.53Å; S169-T171 PolarHBondContact O-N 2.94Å; T171-Q174 PolarHBondContact O-N 3.33Å; T171-L175 VanDerWaalsContact O-CG 3.26Å; T171-L175 WeakPolarHBondContact O-CG 3.46Å; T171-L175 PolarHBondContact O-N 3.2Å
172E78Confident74.3Confident102 Ų102102 Ų10248%0.47759%0.588SS.*Hα-helixtrans-67.9-43.2179.3-174.1174.8-17100111.4P168 S169 Q174 L175 I176P168-E172 HydrophobicContact CB-CB 4.07Å; P168-E172 HydrophobicContact CB-CG 4.08Å; P168-E172 VanDerWaalsContact CB-OE2 3.28Å; P168-E172 WeakPolarHBondContact CB-OE2 3.48Å; S169-E172 WeakPolarHBondContact O-CA 3.31Å; S169-E172 WeakPolarHBondContact O-CB 3.46Å; S169-E172 PolarHBondContact O-N 2.68Å; S169-E172 PolarHBondContact OG-N 3.44Å; E172-Q174 VanDerWaalsContact C-N 3.31Å; E172-Q174 PolarHBondContact O-N 3Å; E172-L175 PolarHBondContact O-N 3.4Å; E172-I176 HydrophobicContact CG-CD1 4.23Å; E172-I176 VanDerWaalsContact O-CG1 3.3Å; E172-I176 WeakPolarHBondContact O-CG1 3.46Å; E172-I176 PolarHBondContact O-N 2.94Å
173N79.4Confident76.6Confident76 Ų76101.2 Ų101.241%0.40657%0.569SS.*Hα-helixtrans-61.3-40.8172.6-75.2-32.7000111.6P168 S169 L175 I176 V177P168-N173 WeakPolarHBondContact CG-OD1 3.47Å; P168-N173 PolarHBondContact O-ND2 3.21Å; S169-N173 PolarHBondContact O-N 3.48Å; N173-L175 PolarHBondContact O-N 3.11Å; N173-I176 PolarHBondContact O-N 2.96Å; N173-V177 VanDerWaalsContact O-CG2 3.29Å; N173-V177 WeakPolarHBondContact O-CG2 3.3Å; N173-V177 PolarHBondContact O-N 3.41Å
174Q81.9Confident78.2Confident130 Ų13099.4 Ų99.461%0.60756%0.558SS**Hα-helixtrans-66.2-37.8177.7-166155.756.400112.1T170 T171 E172 T178T170-Q174 VanDerWaalsContact O-CB 3.26Å; T170-Q174 WeakPolarHBondContact O-CB 3.36Å; T170-Q174 PolarHBondContact O-N 3.45Å; T171-Q174 PolarHBondContact O-N 3.33Å; E172-Q174 VanDerWaalsContact C-N 3.31Å; E172-Q174 PolarHBondContact O-N 3Å; Q174-T178 WeakPolarHBondContact O-CB 3.43Å; Q174-T178 PolarHBondContact O-N 3.34Å; Q174-T178 PolarHBondContact O-OG1 3.47Å
175L88.4Confident80.3Confident118 Ų11893.2 Ų93.262%0.61853%0.531SS*.Hα-helixtrans-63.8-42.3172.7-73.2169.8000111.9T171 E172 N173 A179T171-L175 VanDerWaalsContact O-CG 3.26Å; T171-L175 WeakPolarHBondContact O-CG 3.46Å; T171-L175 PolarHBondContact O-N 3.2Å; E172-L175 PolarHBondContact O-N 3.4Å; N173-L175 PolarHBondContact O-N 3.11Å; L175-A179 WeakPolarHBondContact O-CB 3.37Å; L175-A179 PolarHBondContact O-N 2.91Å
176I88.1Confident82.1Confident83 Ų8398 Ų9843%0.42653%0.533SS..Hα-helixtrans-64.5-47.7177.3-67.6165000110.6E172 N173 T178 A179 L180E172-I176 HydrophobicContact CG-CD1 4.23Å; E172-I176 VanDerWaalsContact O-CG1 3.3Å; E172-I176 WeakPolarHBondContact O-CG1 3.46Å; E172-I176 PolarHBondContact O-N 2.94Å; N173-I176 PolarHBondContact O-N 2.96Å; I176-T178 PolarHBondContact O-N 2.9Å; I176-A179 WeakPolarHBondContact O-CB 3.4Å; I176-A179 PolarHBondContact O-N 3.21Å; I176-A179 VanDerWaalsContact O-N 3.17Å; I176-L180 HydrophobicContact CG2-CD1 4.18Å; I176-L180 HydrophobicContact CG2-CG 4.47Å; I176-L180 WeakPolarHBondContact O-CG 3.46Å; I176-L180 PolarHBondContact O-N 3.23Å
177V85.6Confident83.8Confident77 Ų7796.9 Ų96.947%0.46752%0.516SS..Hα-helixtrans-59.9-46.8177.8172.10000110.7N173 A179 L180 E181N173-V177 VanDerWaalsContact O-CG2 3.29Å; N173-V177 WeakPolarHBondContact O-CG2 3.3Å; N173-V177 PolarHBondContact O-N 3.41Å; V177-A179 VanDerWaalsContact C-N 3.28Å; V177-A179 PolarHBondContact O-N 2.99Å; V177-L180 PolarHBondContact O-N 3.01Å; V177-L180 VanDerWaalsContact O-N 3.14Å; V177-E181 WeakPolarHBondContact O-CG 3.37Å; V177-E181 PolarHBondContact O-N 3.31Å
178T90.3Very high85.5Confident78 Ų7897.3 Ų97.348%0.47951%0.511SS..Hα-helixtrans-60.6-37.8176.8-52.40000111.8Q174 I176 R182Q174-T178 WeakPolarHBondContact O-CB 3.43Å; Q174-T178 PolarHBondContact O-N 3.34Å; Q174-T178 PolarHBondContact O-OG1 3.47Å; I176-T178 PolarHBondContact O-N 2.9Å; T178-R182 WeakPolarHBondContact O-CB 3.5Å; T178-R182 PolarHBondContact O-N 3.33Å; T178-R182 VanDerWaalsContact O-N 3.12Å
179A93.4Very high87.1Confident51 Ų51102.1 Ų102.142%0.42152%0.521SS..Hα-helixtrans-67.6-40176.500000112.1L175 I176 V177 R182 I183L175-A179 WeakPolarHBondContact O-CB 3.37Å; L175-A179 PolarHBondContact O-N 2.91Å; I176-A179 WeakPolarHBondContact O-CB 3.4Å; I176-A179 PolarHBondContact O-N 3.21Å; I176-A179 VanDerWaalsContact O-N 3.17Å; V177-A179 VanDerWaalsContact C-N 3.28Å; V177-A179 PolarHBondContact O-N 2.99Å; A179-R182 PolarHBondContact O-N 2.76Å; A179-I183 VanDerWaalsContact O-CG1 3.3Å; A179-I183 WeakPolarHBondContact O-CG1 3.22Å; A179-I183 PolarHBondContact O-N 3.37Å
180L94.7Very high88.3Confident104 Ų104104.1 Ų104.155%0.54553%0.526SS..Hα-helixtrans-66-44.5177-69.9176000111.9I176 V177 R182 I183 E184I176-L180 HydrophobicContact CG2-CD1 4.18Å; I176-L180 HydrophobicContact CG2-CG 4.47Å; I176-L180 WeakPolarHBondContact O-CG 3.46Å; I176-L180 PolarHBondContact O-N 3.23Å; V177-L180 PolarHBondContact O-N 3.01Å; V177-L180 VanDerWaalsContact O-N 3.14Å; L180-R182 VanDerWaalsContact C-N 3.29Å; L180-R182 PolarHBondContact O-N 3.4Å; L180-I183 PolarHBondContact O-N 2.9Å; L180-I183 VanDerWaalsContact O-N 3.1Å; L180-E184 PolarHBondContact O-N 3.26Å
181E91.6Very high88.8Confident124 Ų124104.3 Ų104.358%0.57952%0.519SS*.Hα-helixtrans-59.1-41.6174.9-71.4176.5166.200111.6V177 I183 E184 D185V177-E181 WeakPolarHBondContact O-CG 3.37Å; V177-E181 PolarHBondContact O-N 3.31Å; E181-I183 VanDerWaalsContact C-N 3.32Å; E181-I183 PolarHBondContact O-N 2.95Å; E181-E184 PolarHBondContact O-N 3.43Å; E181-D185 PolarHBondContact O-N 2.77Å
182R94.4Very high88.9Confident185 Ų185103.3 Ų103.370%0.69851%0.512SS*.Hα-helixtrans-65.6-34.1176.1-170.6178.1-179179.31.2112.6T178 A179 L180 R186T178-R182 WeakPolarHBondContact O-CB 3.5Å; T178-R182 PolarHBondContact O-N 3.33Å; T178-R182 VanDerWaalsContact O-N 3.12Å; A179-R182 PolarHBondContact O-N 2.76Å; L180-R182 VanDerWaalsContact C-N 3.29Å; L180-R182 PolarHBondContact O-N 3.4Å; R182-R186 VanDerWaalsContact O-CG 3.25Å; R182-R186 WeakPolarHBondContact O-CG 3.37Å; R182-R186 PolarHBondContact O-N 3.34Å
183I95.1Very high89Confident88 Ų88100.4 Ų100.445%0.45151%0.506SS..Hα-helixtrans-70.2-42.6174.9-69.5164.8000110A179 L180 E181 R186 L187A179-I183 VanDerWaalsContact O-CG1 3.3Å; A179-I183 WeakPolarHBondContact O-CG1 3.22Å; A179-I183 PolarHBondContact O-N 3.37Å; L180-I183 PolarHBondContact O-N 2.9Å; L180-I183 VanDerWaalsContact O-N 3.1Å; E181-I183 VanDerWaalsContact C-N 3.32Å; E181-I183 PolarHBondContact O-N 2.95Å; I183-R186 PolarHBondContact O-N 2.82Å; I183-L187 HydrophobicContact CG2-CD1 4.03Å; I183-L187 HydrophobicContact CG2-CG 4.34Å; I183-L187 WeakPolarHBondContact O-CG 3.24Å; I183-L187 PolarHBondContact O-N 2.78Å
184E93.8Very high88.8Confident98 Ų98102.4 Ų102.446%0.45851%0.512SS..Hα-helixtrans-65.1-40.9178.7-170.7161.1-148.300112.5R149 L180 E181 R186 L187 S188R149-E184 IonicContact NH2-OE1 3.55Å; R149-E184 PolarHBondContact NH2-OE1 3.25Å; L180-E184 PolarHBondContact O-N 3.26Å; E181-E184 PolarHBondContact O-N 3.43Å; E184-R186 VanDerWaalsContact C-N 3.34Å; E184-R186 PolarHBondContact O-N 3.33Å; E184-L187 PolarHBondContact O-N 3.03Å; E184-S188 WeakPolarHBondContact O-CB 3.46Å; E184-S188 PolarHBondContact O-N 3.1Å; E184-S188 PolarHBondContact O-OG 3.1Å
185D93Very high88.5Confident72 Ų72101 Ų10139%0.38551%0.506SS..Hα-helixtrans-61-41.7171.8173.280.7000111.4E181 S188 R189E181-D185 PolarHBondContact O-N 2.77Å; D185-S188 PolarHBondContact O-N 3.08Å; D185-R189 VanDerWaalsContact O-CG 3.3Å; D185-R189 WeakPolarHBondContact O-CG 3.27Å; D185-R189 PolarHBondContact O-N 2.82Å; D185-R189 IonicContact OD1-CZ 3.62Å; D185-R189 IonicContact OD1-NE 3.53Å; D185-R189 PolarHBondContact OD1-NE 3.15Å; D185-R189 IonicContact OD1-NH2 3.33Å; D185-R189 PolarHBondContact OD1-NH2 3.46Å; D185-R189 IonicContact OD2-CZ 3.19Å; D185-R189 IonicContact OD2-NE 2.76Å; D185-R189 PolarHBondContact OD2-NE 3.44Å; D185-R189 IonicContact OD2-NH2 2.77Å; D185-R189 PolarHBondContact OD2-NH2 3.05Å
186R92.8Very high87.8Confident154 Ų154104 Ų10458%0.58151%0.509SS*.Hα-helixtrans-65.2-43176.6-75.417868.6-165-0.1112.4R182 I183 E184 R189 L190R182-R186 VanDerWaalsContact O-CG 3.25Å; R182-R186 WeakPolarHBondContact O-CG 3.37Å; R182-R186 PolarHBondContact O-N 3.34Å; I183-R186 PolarHBondContact O-N 2.82Å; E184-R186 VanDerWaalsContact C-N 3.34Å; E184-R186 PolarHBondContact O-N 3.33Å; R186-R189 PolarHBondContact O-N 3.33Å; R186-L190 WeakPolarHBondContact O-CB 3.35Å; R186-L190 VanDerWaalsContact O-CG 3.28Å; R186-L190 WeakPolarHBondContact O-CG 3.4Å; R186-L190 PolarHBondContact O-N 3.44Å
187L93.1Very high87.1Confident107 Ų107104.3 Ų104.356%0.5651%0.511SS*.Hα-helixtrans-63.9-42.8176.9-71.6174.8000110.9I183 E184 R189 L190 E191I183-L187 HydrophobicContact CG2-CD1 4.03Å; I183-L187 HydrophobicContact CG2-CG 4.34Å; I183-L187 WeakPolarHBondContact O-CG 3.24Å; I183-L187 PolarHBondContact O-N 2.78Å; E184-L187 PolarHBondContact O-N 3.03Å; L187-R189 VanDerWaalsContact C-N 3.35Å; L187-R189 PolarHBondContact O-N 2.99Å; L187-L190 PolarHBondContact O-N 3.35Å; L187-E191 WeakPolarHBondContact O-CB 3.42Å; L187-E191 PolarHBondContact O-N 3.46Å
188S92.1Very high86.5Confident61 Ų61105.4 Ų105.443%0.42751%0.511SS..Hα-helixtrans-60.4-42.3176.1-57.60000112.1E184 D185 E191 V192E184-S188 WeakPolarHBondContact O-CB 3.46Å; E184-S188 PolarHBondContact O-N 3.1Å; E184-S188 PolarHBondContact O-OG 3.1Å; D185-S188 PolarHBondContact O-N 3.08Å; S188-E191 PolarHBondContact O-N 2.76Å; S188-V192 WeakPolarHBondContact O-CG2 3.23Å; S188-V192 PolarHBondContact O-N 2.96Å; S188-V192 VanDerWaalsContact O-N 3.15Å
189R90.2Very high85.6Confident163 Ų163107 Ų10762%0.61551%0.513SS*.Hα-helixtrans-65.2-40.3175.1-71.3174.4-166.6-80-14112.7D185 R186 L187 A193D185-R189 VanDerWaalsContact O-CG 3.3Å; D185-R189 WeakPolarHBondContact O-CG 3.27Å; D185-R189 PolarHBondContact O-N 2.82Å; D185-R189 IonicContact OD1-CZ 3.62Å; D185-R189 IonicContact OD1-NE 3.53Å; D185-R189 PolarHBondContact OD1-NE 3.15Å; D185-R189 IonicContact OD1-NH2 3.33Å; D185-R189 PolarHBondContact OD1-NH2 3.46Å; D185-R189 IonicContact OD2-CZ 3.19Å; D185-R189 IonicContact OD2-NE 2.76Å; D185-R189 PolarHBondContact OD2-NE 3.44Å; D185-R189 IonicContact OD2-NH2 2.77Å; D185-R189 PolarHBondContact OD2-NH2 3.05Å; R186-R189 PolarHBondContact O-N 3.33Å; L187-R189 VanDerWaalsContact C-N 3.35Å; L187-R189 PolarHBondContact O-N 2.99Å; R189-A193 WeakPolarHBondContact O-CB 3.42Å; R189-A193 PolarHBondContact O-N 3.33Å
190L86.4Confident84.7Confident107 Ų107113.4 Ų113.456%0.5653%0.526SS*.Hα-helixtrans-68.4-37.5178.1-72.9172.4000111.7R186 L187 A193 H194R186-L190 WeakPolarHBondContact O-CB 3.35Å; R186-L190 VanDerWaalsContact O-CG 3.28Å; R186-L190 WeakPolarHBondContact O-CG 3.4Å; R186-L190 PolarHBondContact O-N 3.44Å; L187-L190 PolarHBondContact O-N 3.35Å; L190-A193 PolarHBondContact O-N 3.45Å; L190-H194 WeakPolarHBondContact O-CB 3.29Å; L190-H194 PolarHBondContact O-N 2.98Å
191E83.2Confident83.7Confident122 Ų122112.5 Ų112.557%0.5752%0.521SS*.Hα-helixtrans-64.2-44.5176.3-169.8174.4178.400111.4L187 S188 A193 H194 Q195L187-E191 WeakPolarHBondContact O-CB 3.42Å; L187-E191 PolarHBondContact O-N 3.46Å; S188-E191 PolarHBondContact O-N 2.76Å; E191-A193 VanDerWaalsContact C-N 3.33Å; E191-A193 PolarHBondContact O-N 3.36Å; E191-H194 PolarHBondContact O-N 3.01Å; E191-Q195 WeakPolarHBondContact O-CG 3.39Å; E191-Q195 PolarHBondContact O-N 3.27Å
192V82.3Confident82.7Confident69 Ų69115.6 Ų115.642%0.41853%0.528SS..Hα-helixtrans-63.7-38.8174.31750000111.7S188 R196S188-V192 WeakPolarHBondContact O-CG2 3.23Å; S188-V192 PolarHBondContact O-N 2.96Å; S188-V192 VanDerWaalsContact O-N 3.15Å; V192-R196 WeakPolarHBondContact O-CG 3.38Å; V192-R196 PolarHBondContact O-N 3.01Å; V192-R196 VanDerWaalsContact O-N 3.13Å
193A78.3Confident81.5Confident42 Ų42116 Ų11635%0.34753%0.529SS..Hα-helixtrans-64.4-45.3175.400000111.5R189 L190 E191 Q195 R196 D197R189-A193 WeakPolarHBondContact O-CB 3.42Å; R189-A193 PolarHBondContact O-N 3.33Å; L190-A193 PolarHBondContact O-N 3.45Å; E191-A193 VanDerWaalsContact C-N 3.33Å; E191-A193 PolarHBondContact O-N 3.36Å; A193-Q195 PolarHBondContact O-N 3.5Å; A193-R196 WeakPolarHBondContact O-CB 3.3Å; A193-R196 PolarHBondContact O-N 3.31Å; A193-R196 VanDerWaalsContact O-N 3.16Å; A193-D197 PolarHBondContact O-N 3.27Å
194H76.5Confident80.5Confident117 Ų117117.8 Ų117.854%0.54253%0.534SS..Hα-helixtrans-60.7-43.4176.6-171.7-84.6000111.6L190 E191 R196 D197 E198L190-H194 WeakPolarHBondContact O-CB 3.29Å; L190-H194 PolarHBondContact O-N 2.98Å; E191-H194 PolarHBondContact O-N 3.01Å; H194-R196 VanDerWaalsContact C-N 3.31Å; H194-R196 PolarHBondContact O-N 2.93Å; H194-D197 PolarHBondContact O-N 3.39Å; H194-E198 WeakPolarHBondContact CE1-CG 3.45Å; H194-E198 IonicContact CE1-OE1 3.42Å; H194-E198 WeakPolarHBondContact ND1-CG 3.29Å; H194-E198 VanDerWaalsContact O-CB 3.29Å; H194-E198 WeakPolarHBondContact O-CB 3.43Å; H194-E198 VanDerWaalsContact O-CG 3.3Å; H194-E198 WeakPolarHBondContact O-CG 3.5Å; H194-E198 PolarHBondContact O-N 2.96Å
195Q75.1Confident79.1Confident101 Ų101117.4 Ų117.447%0.47254%0.535SS..Hα-helixtrans-61.7-37.4175.9-71.5176.92600112.4E191 A193 H199E191-Q195 WeakPolarHBondContact O-CG 3.39Å; E191-Q195 PolarHBondContact O-N 3.27Å; A193-Q195 PolarHBondContact O-N 3.5Å; Q195-H199 WeakPolarHBondContact O-CB 3.4Å; Q195-H199 PolarHBondContact O-CD2 3.35Å; Q195-H199 VanDerWaalsContact O-CD2 3.26Å; Q195-H199 PolarHBondContact O-N 3.28Å
196R73.3Confident77.8Confident182 Ų182120.3 Ų120.369%0.68755%0.546SS*.Hα-helixtrans-68.3-42.1175.6-72.6176.9-175.2179.52.5112V192 A193 H194 H199 R200V192-R196 WeakPolarHBondContact O-CG 3.38Å; V192-R196 PolarHBondContact O-N 3.01Å; V192-R196 VanDerWaalsContact O-N 3.13Å; A193-R196 WeakPolarHBondContact O-CB 3.3Å; A193-R196 PolarHBondContact O-N 3.31Å; A193-R196 VanDerWaalsContact O-N 3.16Å; H194-R196 VanDerWaalsContact C-N 3.31Å; H194-R196 PolarHBondContact O-N 2.93Å; R196-H199 PolarHBondContact O-N 3.09Å; R196-R200 WeakPolarHBondContact O-CB 3.47Å; R196-R200 PolarHBondContact O-N 3.1Å
197D74.7Confident76.2Confident88 Ų88122.7 Ų122.747%0.47156%0.555SS.*Hα-helixtrans-68.1-42.6177.6-77-24.3000111.3A193 H194 H199 R200 I201A193-D197 PolarHBondContact O-N 3.27Å; H194-D197 PolarHBondContact O-N 3.39Å; D197-H199 PolarHBondContact O-N 3.28Å; D197-R200 CarbonylContact O-C 3.58Å; D197-R200 WeakPolarHBondContact O-CB 3.33Å; D197-R200 PolarHBondContact O-N 2.82Å; D197-R200 VanDerWaalsContact O-N 3.11Å; D197-I201 WeakPolarHBondContact O-CB 3.31Å; D197-I201 WeakPolarHBondContact O-CG1 3.41Å; D197-I201 PolarHBondContact O-N 3.49Å
198E72.5Confident75Confident101 Ų101122 Ų12247%0.47255%0.549SS..Hα-helixtrans-57-48171.2-80.3-76.4120.300111.5H194 R200 I201 R202H194-E198 WeakPolarHBondContact CE1-CG 3.45Å; H194-E198 IonicContact CE1-OE1 3.42Å; H194-E198 WeakPolarHBondContact ND1-CG 3.29Å; H194-E198 VanDerWaalsContact O-CB 3.29Å; H194-E198 WeakPolarHBondContact O-CB 3.43Å; H194-E198 VanDerWaalsContact O-CG 3.3Å; H194-E198 WeakPolarHBondContact O-CG 3.5Å; H194-E198 PolarHBondContact O-N 2.96Å; E198-R200 VanDerWaalsContact C-N 3.3Å; E198-R200 PolarHBondContact O-N 2.84Å; E198-I201 PolarHBondContact O-N 3.25Å; E198-R202 WeakPolarHBondContact O-CB 3.28Å; E198-R202 PolarHBondContact O-N 3.23Å
199H71.3Confident73.7Confident112 Ų112120.9 Ų120.952%0.51955%0.546SS..Hα-helixtrans-62.9-36.1175.2-91.1-69.5000112.5Q195 R196 D197 R203Q195-H199 WeakPolarHBondContact O-CB 3.4Å; Q195-H199 PolarHBondContact O-CD2 3.35Å; Q195-H199 VanDerWaalsContact O-CD2 3.26Å; Q195-H199 PolarHBondContact O-N 3.28Å; R196-H199 PolarHBondContact O-N 3.09Å; D197-H199 PolarHBondContact O-N 3.28Å; H199-R203 WeakPolarHBondContact O-CB 3.27Å; H199-R203 VanDerWaalsContact O-CG 3.3Å; H199-R203 WeakPolarHBondContact O-CG 3.09Å; H199-R203 PolarHBondContact O-N 3.29Å
200R75.1Confident72.7Confident184 Ų184115.6 Ų115.669%0.69453%0.532SS*.Hα-helixtrans-69.9-44.6177.1-173-179.1-179.1-167.80.6111.5R196 D197 E198 R203 K204R196-R200 WeakPolarHBondContact O-CB 3.47Å; R196-R200 PolarHBondContact O-N 3.1Å; D197-R200 CarbonylContact O-C 3.58Å; D197-R200 WeakPolarHBondContact O-CB 3.33Å; D197-R200 PolarHBondContact O-N 2.82Å; D197-R200 VanDerWaalsContact O-N 3.11Å; E198-R200 VanDerWaalsContact C-N 3.3Å; E198-R200 PolarHBondContact O-N 2.84Å; R200-R203 PolarHBondContact O-N 3.25Å; R200-K204 WeakPolarHBondContact O-CB 3.18Å; R200-K204 PolarHBondContact O-N 2.85Å
201I73.5Confident71.9Confident86 Ų86113 Ų11344%0.44153%0.526SS..Hα-helixtrans-62.9-46.5175.3-67.3163.4000109.1D197 E198 R203 K204 N205D197-I201 WeakPolarHBondContact O-CB 3.31Å; D197-I201 WeakPolarHBondContact O-CG1 3.41Å; D197-I201 PolarHBondContact O-N 3.49Å; E198-I201 PolarHBondContact O-N 3.25Å; I201-R203 PolarHBondContact O-N 3.47Å; I201-K204 PolarHBondContact O-N 2.96Å; I201-K204 VanDerWaalsContact O-N 3.15Å; I201-N205 WeakPolarHBondContact CG2-ND2 3.31Å; I201-N205 WeakPolarHBondContact O-CB 3.47Å; I201-N205 PolarHBondContact O-N 3.04Å; I201-N205 PolarHBondContact O-OD1 2.59Å
202R70.8Confident71.2Confident189 Ų189112.8 Ų112.871%0.71353%0.528SS*.Hα-helixtrans-60.6-41176.8-169.1174.8178.7174.50.8112.3E198 H206E198-R202 WeakPolarHBondContact O-CB 3.28Å; E198-R202 PolarHBondContact O-N 3.23Å; R202-H206 VanDerWaalsContact O-CB 3.26Å; R202-H206 WeakPolarHBondContact O-CB 3.37Å; R202-H206 PolarHBondContact O-N 3.23Å
203R69.3Low70.4Confident194 Ų194117.5 Ų117.573%0.73254%0.538SS*.Hα-helixtrans-65.8-41173.6-78.2-179.9-179.7178.62.1112.4H199 R200 I201 H206 R207H199-R203 WeakPolarHBondContact O-CB 3.27Å; H199-R203 VanDerWaalsContact O-CG 3.3Å; H199-R203 WeakPolarHBondContact O-CG 3.09Å; H199-R203 PolarHBondContact O-N 3.29Å; R200-R203 PolarHBondContact O-N 3.25Å; I201-R203 PolarHBondContact O-N 3.47Å; R203-H206 PolarHBondContact O-N 3.37Å; R203-R207 PolarHBondContact O-N 3.38Å
204K72.4Confident69.8Low125 Ų125121.8 Ų121.854%0.54355%0.551SS.*Hα-helixtrans-64.6-48.5177-173.5178.8172.6-174.60111R200 I201 H206 R207 E208R200-K204 WeakPolarHBondContact O-CB 3.18Å; R200-K204 PolarHBondContact O-N 2.85Å; I201-K204 PolarHBondContact O-N 2.96Å; I201-K204 VanDerWaalsContact O-N 3.15Å; K204-H206 VanDerWaalsContact C-N 3.3Å; K204-H206 PolarHBondContact O-N 3.02Å; K204-R207 PolarHBondContact O-N 3.42Å; K204-E208 WeakPolarHBondContact CE-OE1 3.47Å; K204-E208 IonicContact NZ-OE1 2.78Å; K204-E208 WeakPolarHBondContact O-CB 3.48Å; K204-E208 WeakPolarHBondContact O-CG 3.3Å; K204-E208 PolarHBondContact O-N 3.27Å
205N65.8Low69.4Low89 Ų89119.2 Ų119.248%0.47655%0.55SS..Hα-helixtrans-65.4-33177.4-65.9-2.7000111.8I201 G209I201-N205 WeakPolarHBondContact CG2-ND2 3.31Å; I201-N205 WeakPolarHBondContact O-CB 3.47Å; I201-N205 PolarHBondContact O-N 3.04Å; I201-N205 PolarHBondContact O-OD1 2.59Å; N205-G209 WeakPolarHBondContact O-CA 3.4Å; N205-G209 PolarHBondContact O-N 2.66Å
206H64.6Low69Low133 Ų133117.1 Ų117.162%0.61655%0.55SS*.Hα-helixtrans-66.9-44.4173.5-167.459.1000110.9R202 R203 K204 G209 T210R202-H206 VanDerWaalsContact O-CB 3.26Å; R202-H206 WeakPolarHBondContact O-CB 3.37Å; R202-H206 PolarHBondContact O-N 3.23Å; R203-H206 PolarHBondContact O-N 3.37Å; K204-H206 VanDerWaalsContact C-N 3.3Å; K204-H206 PolarHBondContact O-N 3.02Å; H206-G209 PolarHBondContact O-N 3.45Å; H206-T210 WeakPolarHBondContact O-CB 3.39Å; H206-T210 VanDerWaalsContact O-CG2 3.25Å; H206-T210 WeakPolarHBondContact O-CG2 3.4Å; H206-T210 PolarHBondContact O-N 3.28Å; H206-T210 PolarHBondContact O-OG1 3.24Å
207R60.8Low68.6Low205 Ų205115.2 Ų115.277%0.77454%0.543SS*.Hα-helixtrans-66.7-40.3177.7-167.4178.6-173.4-174.82112.9R203 K204 T210 A211R203-R207 PolarHBondContact O-N 3.38Å; K204-R207 PolarHBondContact O-N 3.42Å; R207-T210 WeakPolarHBondContact CA-OG1 3.37Å; R207-T210 PolarHBondContact O-OG1 3.02Å; R207-A211 WeakPolarHBondContact O-CB 3.37Å; R207-A211 PolarHBondContact O-N 3.4Å; R207-A211 VanDerWaalsContact O-N 3.15Å
208E66.7Low68.4Low93 Ų93114.8 Ų114.844%0.43555%0.547SS..Hα-helixtrans-70.8-41.7175.6-73.4173.4-179.800110.8K204 A211 I212K204-E208 WeakPolarHBondContact CE-OE1 3.47Å; K204-E208 IonicContact NZ-OE1 2.78Å; K204-E208 WeakPolarHBondContact O-CB 3.48Å; K204-E208 WeakPolarHBondContact O-CG 3.3Å; K204-E208 PolarHBondContact O-N 3.27Å; E208-A211 PolarHBondContact O-N 3.43Å; E208-I212 WeakPolarHBondContact O-CB 3.36Å; E208-I212 WeakPolarHBondContact O-CD1 3.32Å; E208-I212 WeakPolarHBondContact O-CG1 3.49Å; E208-I212 PolarHBondContact O-N 2.89Å
209G64.1Low68.5Low36 Ų36115.1 Ų115.137%0.37155%0.546SS..Hα-helixtrans-65.3-39.4176.600000113.1N205 H206 R213N205-G209 WeakPolarHBondContact O-CA 3.4Å; N205-G209 PolarHBondContact O-N 2.66Å; H206-G209 PolarHBondContact O-N 3.45Å; G209-R213 WeakPolarHBondContact O-CB 3.29Å; G209-R213 PolarHBondContact O-N 2.95Å
210T69.6Low68.4Low53 Ų53112.4 Ų112.433%0.32554%0.544SS..Hα-helixtrans-64.8-44.3172.852.90000110.6H206 R207 I212 R213 E214H206-T210 WeakPolarHBondContact O-CB 3.39Å; H206-T210 VanDerWaalsContact O-CG2 3.25Å; H206-T210 WeakPolarHBondContact O-CG2 3.4Å; H206-T210 PolarHBondContact O-N 3.28Å; H206-T210 PolarHBondContact O-OG1 3.24Å; R207-T210 WeakPolarHBondContact CA-OG1 3.37Å; R207-T210 PolarHBondContact O-OG1 3.02Å; T210-I212 PolarHBondContact O-N 3.31Å; T210-R213 PolarHBondContact O-N 3.02Å; T210-E214 VanDerWaalsContact O-CB 3.31Å; T210-E214 WeakPolarHBondContact O-CB 2.79Å; T210-E214 VanDerWaalsContact O-CG 3.28Å; T210-E214 WeakPolarHBondContact O-CG 3.21Å; T210-E214 PolarHBondContact O-N 3.1Å
211A70.4Confident68.5Low52 Ų52110.7 Ų110.743%0.4354%0.543SS..Hα-helixtrans-64-40.9177.300000112.7R207 E208 A215R207-A211 WeakPolarHBondContact O-CB 3.37Å; R207-A211 PolarHBondContact O-N 3.4Å; R207-A211 VanDerWaalsContact O-N 3.15Å; E208-A211 PolarHBondContact O-N 3.43Å; A211-A215 VanDerWaalsContact O-CB 3.26Å; A211-A215 WeakPolarHBondContact O-CB 3.5Å; A211-A215 PolarHBondContact O-N 3.13Å
212I69.1Low69Low118 Ų118109.8 Ų109.861%0.60554%0.539SS*.Hα-helixtrans-66.1-42.1175.5-67.4163.5000110.3E208 T210 A215 A216E208-I212 WeakPolarHBondContact O-CB 3.36Å; E208-I212 WeakPolarHBondContact O-CD1 3.32Å; E208-I212 WeakPolarHBondContact O-CG1 3.49Å; E208-I212 PolarHBondContact O-N 2.89Å; T210-I212 PolarHBondContact O-N 3.31Å; I212-A215 PolarHBondContact O-N 3.1Å; I212-A216 VanDerWaalsContact O-CB 3.23Å; I212-A216 WeakPolarHBondContact O-CB 3.32Å; I212-A216 PolarHBondContact O-N 3.14Å
213R65.1Low69.7Low167 Ų167104.1 Ų104.163%0.6353%0.526SS*.Hα-helixtrans-68.9-37.6178.8-167.2176.1-172.3-178.91.8112G209 T210 R217G209-R213 WeakPolarHBondContact O-CB 3.29Å; G209-R213 PolarHBondContact O-N 2.95Å; T210-R213 PolarHBondContact O-N 3.02Å; R213-R217 WeakPolarHBondContact O-CB 3.35Å; R213-R217 VanDerWaalsContact O-CG 3.31Å; R213-R217 WeakPolarHBondContact O-CG 3.46Å; R213-R217 PolarHBondContact O-N 2.98Å
214E65.6Low70.6Confident133 Ų13395 Ų9562%0.62149%0.491SS*.Hα-helixtrans-66.9-44173.2-76.7176.1176.200111.3T210 A216 R217 S218T210-E214 VanDerWaalsContact O-CB 3.31Å; T210-E214 WeakPolarHBondContact O-CB 2.79Å; T210-E214 VanDerWaalsContact O-CG 3.28Å; T210-E214 WeakPolarHBondContact O-CG 3.21Å; T210-E214 PolarHBondContact O-N 3.1Å; E214-A216 PolarHBondContact O-N 2.83Å; E214-R217 PolarHBondContact O-N 2.59Å; E214-S218 WeakPolarHBondContact O-CB 2.99Å; E214-S218 PolarHBondContact O-N 3.27Å
215A68.4Low71.4Confident63 Ų6397.6 Ų97.652%0.52150%0.503SS..Hα-helixtrans-63.6-40.6174.500000112A211 I212 S218 K219A211-A215 VanDerWaalsContact O-CB 3.26Å; A211-A215 WeakPolarHBondContact O-CB 3.5Å; A211-A215 PolarHBondContact O-N 3.13Å; I212-A215 PolarHBondContact O-N 3.1Å; A215-S218 PolarHBondContact O-N 3.45Å; A215-K219 WeakPolarHBondContact O-CB 3.38Å; A215-K219 PolarHBondContact O-N 2.93Å
216A65.9Low72.5Confident57 Ų5796.3 Ų96.347%0.47150%0.498SS..Hα-helixtrans-66.8-40175.400000111.9I212 E214 K219 A220I212-A216 VanDerWaalsContact O-CB 3.23Å; I212-A216 WeakPolarHBondContact O-CB 3.32Å; I212-A216 PolarHBondContact O-N 3.14Å; E214-A216 PolarHBondContact O-N 2.83Å; A216-K219 PolarHBondContact O-N 3.13Å; A216-A220 WeakPolarHBondContact O-CB 3.21Å; A216-A220 PolarHBondContact O-N 3.44Å
217R65.8Low73.8Confident142 Ų14291.4 Ų91.454%0.53648%0.479SS..Hα-helixtrans-63.8-45.8173.2-81.6-178175.3-165.3-2.7111.7R213 E214 K219 A220 E221R213-R217 WeakPolarHBondContact O-CB 3.35Å; R213-R217 VanDerWaalsContact O-CG 3.31Å; R213-R217 WeakPolarHBondContact O-CG 3.46Å; R213-R217 PolarHBondContact O-N 2.98Å; E214-R217 PolarHBondContact O-N 2.59Å; R217-K219 VanDerWaalsContact C-N 3.26Å; R217-K219 PolarHBondContact O-N 3.41Å; R217-A220 CarbonylContact O-C 3.58Å; R217-A220 WeakPolarHBondContact O-CA 3.42Å; R217-A220 WeakPolarHBondContact O-CB 3.25Å; R217-A220 PolarHBondContact O-N 2.85Å; R217-E221 WeakPolarHBondContact O-CG 3.43Å; R217-E221 PolarHBondContact O-N 2.94Å
218S69Low75.2Confident79 Ų7985.5 Ų85.555%0.55247%0.474SS*.Hα-helixtrans-60.2-36.6175.2179.20000111.9E214 A215 L222E214-S218 WeakPolarHBondContact O-CB 2.99Å; E214-S218 PolarHBondContact O-N 3.27Å; A215-S218 PolarHBondContact O-N 3.45Å; S218-L222 PolarHBondContact O-N 3.23Å
219K74.3Confident76.2Confident107 Ų10784.7 Ų84.747%0.46548%0.475SS..Hα-helixtrans-70.2-35.4172.7-167.9174.6-176179.90112.7A215 A216 R217 G231 D236A215-K219 WeakPolarHBondContact O-CB 3.38Å; A215-K219 PolarHBondContact O-N 2.93Å; A216-K219 PolarHBondContact O-N 3.13Å; R217-K219 VanDerWaalsContact C-N 3.26Å; R217-K219 PolarHBondContact O-N 3.41Å; K219-G231 CarbonylContact O-C 3.54Å; K219-D236 IonicContact NZ-OD2 3.52Å
220A70.4Confident77.4Confident56 Ų5687.3 Ų87.346%0.46348%0.484SS..Hα-helixtrans-71.4-33.9178.100000112.8A216 R217 T230 G231A216-A220 WeakPolarHBondContact O-CB 3.21Å; A216-A220 PolarHBondContact O-N 3.44Å; R217-A220 CarbonylContact O-C 3.58Å; R217-A220 WeakPolarHBondContact O-CA 3.42Å; R217-A220 WeakPolarHBondContact O-CB 3.25Å; R217-A220 PolarHBondContact O-N 2.85Å; A220-T230 WeakPolarHBondContact O-CB 3.23Å; A220-G231 PolarHBondContact O-N 3.41Å
221E77.4Confident78.2Confident147 Ų14786.7 Ų86.769%0.68749%0.488SS*.Hα-helixtrans-82-18.4178.2-71.4169.1-164.100112.8R217 T223R217-E221 WeakPolarHBondContact O-CG 3.43Å; R217-E221 PolarHBondContact O-N 2.94Å; E221-T223 PolarHBondContact O-N 3.32Å
222L82.9Confident79.1Confident68 Ų6885.4 Ų85.436%0.35647%0.473SS..PPolyproline II helixtrans-70.5123.2178.2-163.286.2000111.2S218 T230 G231 V233S218-L222 PolarHBondContact O-N 3.23Å; L222-T230 WeakPolarHBondContact O-CA 3.47Å; L222-G231 PolarHBondContact O-N 3Å; L222-G231 VanDerWaalsContact O-N 3.15Å; L222-V233 HydrophobicContact CD2-CB 4.14Å; L222-V233 HydrophobicContact CD2-CG1 3.13Å
223T86.7Confident80Confident70 Ų7082.3 Ų82.343%0.42946%0.459SS..BIsolated β-bridgetrans-82.7130.6171.853.10000111E221 F225 T230E221-T223 PolarHBondContact O-N 3.32Å; T223-F225 PolarHBondContact O-N 3.5Å; T223-T230 HydrophobicContact CG2-CG2 3.63Å
224C88.7Confident81Confident1 Ų175.7 Ų75.71%0.00744%0.44CS..PPolyproline II helixtrans-66.7127.9173.3177.50000111.3V226 C227 A228 T229 H232 C237C224-V226 PolarHBondContact O-N 3.25Å; C224-V226 PolarHBondContact SG-N 2.99Å; C224-V226 VanDerWaalsContact SG-N 3.37Å; C224-C227 VanDerWaalsContact SG-SG 3.63Å; C224-A228 WeakPolarHBondContact O-CA 3.31Å; C224-A228 PolarHBondContact O-N 2.95Å; C224-T229 WeakPolarHBondContact CB-O 3.12Å; C224-T229 PolarHBondContact N-O 2.87Å; C224-H232 WeakPolarHBondContact CA-O 3.42Å; C224-H232 VanDerWaalsContact CB-NE2 3.3Å; C224-H232 WeakPolarHBondContact CB-NE2 3.49Å; C224-H232 WeakPolarHBondContact CB-O 3.35Å; C224-H232 PolarHBondContact N-O 3.31Å; C224-H232 PolarHBondContact SG-NE2 3.43Å; C224-C237 VanDerWaalsContact SG-CB 3.58Å
225F88.9Confident82Confident181 Ų18179.4 Ų79.479%0.79445%0.449SS*.THydrogen-bonded Turntrans-70-11.8177.5-65.6-80000114.8T223 A234T223-F225 PolarHBondContact O-N 3.5Å; F225-A234 HydrophobicContact CB-CB 4.29Å
226V88.5Confident82.9Confident62 Ų6280.2 Ų80.238%0.37644%0.444SS..THydrogen-bonded Turntrans-91.5-50.5-179.1179.20000111.1C224 A234 C237 M239C224-V226 PolarHBondContact O-N 3.25Å; C224-V226 PolarHBondContact SG-N 2.99Å; C224-V226 VanDerWaalsContact SG-N 3.37Å; V226-A234 HydrophobicContact CG2-CB 3.91Å; V226-C237 HydrophobicContact CB-CB 4.1Å; V226-C237 HydrophobicContact CG1-CB 4.48Å; V226-C237 HydrophobicContact CG2-CB 4.36Å; V226-M239 HydrophobicContact CG1-CB 4.31Å
227C92.3Very high84Confident30 Ų3077.5 Ų77.520%0.20342%0.422CS..THydrogen-bonded Turntrans-109-0.8-176.764.20000114.4C224 T229 H232 M239C224-C227 VanDerWaalsContact SG-SG 3.63Å; C227-T229 PolarHBondContact O-N 3.37Å; C227-T229 VanDerWaalsContact O-N 3.09Å; C227-T229 PolarHBondContact SG-OG1 3.02Å; C227-H232 PolarHBondContact SG-CE1 3.29Å; C227-H232 PolarHBondContact SG-NE2 2.88Å; C227-M239 HydrophobicContact CB-CG 4.34Å; C227-M239 HydrophobicContact CB-SD 3.65Å
228A89.7Confident85Confident81 Ų8174.8 Ų74.867%0.66942%0.423SS*.  trans58.913.7-177.500000115.6C224C224-A228 WeakPolarHBondContact O-CA 3.31Å; C224-A228 PolarHBondContact O-N 2.95Å
229T87.9Confident85.7Confident75 Ų7575.6 Ų75.646%0.4642%0.419SS..  trans-94.9149.7176.1660000111.7C224 C227 H232C224-T229 WeakPolarHBondContact CB-O 3.12Å; C224-T229 PolarHBondContact N-O 2.87Å; C227-T229 PolarHBondContact O-N 3.37Å; C227-T229 VanDerWaalsContact O-N 3.09Å; C227-T229 PolarHBondContact SG-OG1 3.02Å; T229-H232 PolarHBondContact OG1-CE1 3.28Å; T229-H232 VanDerWaalsContact OG1-CE1 3.28Å
230T89.4Confident86.1Confident92 Ų9277.5 Ų77.556%0.56442%0.423SS*.BIsolated β-bridgetrans-77.6161.1178.351.80000112.2A220 L222 T223A220-T230 WeakPolarHBondContact O-CB 3.23Å; L222-T230 WeakPolarHBondContact O-CA 3.47Å; T223-T230 HydrophobicContact CG2-CG2 3.63Å
231G86.2Confident86Confident39 Ų3980.6 Ų80.640%0.40243%0.428SS..SBendtrans101.6-6172.300000116.2K219 A220 L222K219-G231 CarbonylContact O-C 3.54Å; A220-G231 PolarHBondContact O-N 3.41Å; L222-G231 PolarHBondContact O-N 3Å; L222-G231 VanDerWaalsContact O-N 3.15Å
232H88.1Confident85.5Confident26 Ų2683.5 Ų83.512%0.1243%0.432CS..SBendtrans-153.8157176.466.7-82000112.7C224 C227 T229 D236 C237C224-H232 WeakPolarHBondContact CA-O 3.42Å; C224-H232 VanDerWaalsContact CB-NE2 3.3Å; C224-H232 WeakPolarHBondContact CB-NE2 3.49Å; C224-H232 WeakPolarHBondContact CB-O 3.35Å; C224-H232 PolarHBondContact N-O 3.31Å; C224-H232 PolarHBondContact SG-NE2 3.43Å; C227-H232 PolarHBondContact SG-CE1 3.29Å; C227-H232 PolarHBondContact SG-NE2 2.88Å; T229-H232 PolarHBondContact OG1-CE1 3.28Å; T229-H232 VanDerWaalsContact OG1-CE1 3.28Å; H232-D236 HydrophobicContact CB-CB 4.15Å; H232-C237 WeakPolarHBondContact CD2-CA 3.48Å; H232-C237 WeakPolarHBondContact NE2-CA 3.46Å; H232-C237 PolarHBondContact NE2-SG 3.24Å
233V88.5Confident84.5Confident52 Ų5285.5 Ų85.532%0.31544%0.44SS..  trans-85159.3173.3-71.40000110.8L222 R235 D236 C237L222-V233 HydrophobicContact CD2-CB 4.14Å; L222-V233 HydrophobicContact CD2-CG1 3.13Å; V233-R235 HydrophobicContact CG2-CB 4.16Å; V233-R235 PolarHBondContact O-N 3.37Å; V233-D236 HydrophobicContact CG2-CB 4.12Å; V233-D236 WeakPolarHBondContact CG2-OD2 3.31Å; V233-D236 PolarHBondContact O-N 2.94Å; V233-C237 PolarHBondContact O-N 2.91Å
234A86.5Confident83.2Confident28 Ų2885 Ų8523%0.23144%0.44CS..G310 helixtrans-50.1-28.6176.500000114.9F225 V226 C237 R240F225-A234 HydrophobicContact CB-CB 4.29Å; V226-A234 HydrophobicContact CG2-CB 3.91Å; A234-C237 WeakPolarHBondContact O-CB 3.49Å; A234-R240 WeakPolarHBondContact O-CD 3.42Å
235R86Confident81.6Confident212 Ų21289.9 Ų89.980%0.847%0.465SS*.G310 helixtrans-69.6-33.5175.7-69.1-174.9177.4-179.4-0.7113.5V233 C237V233-R235 HydrophobicContact CG2-CB 4.16Å; V233-R235 PolarHBondContact O-N 3.37Å; R235-C237 VanDerWaalsContact C-N 3.33Å
236D87.4Confident80Confident80 Ų8083.6 Ų83.643%0.42845%0.447SS..G310 helixtrans-96.111.6-177.7-62.4-19.5000111.2K219 H232 V233 P238K219-D236 IonicContact NZ-OD2 3.52Å; H232-D236 HydrophobicContact CB-CB 4.15Å; V233-D236 HydrophobicContact CG2-CB 4.12Å; V233-D236 WeakPolarHBondContact CG2-OD2 3.31Å; V233-D236 PolarHBondContact O-N 2.94Å; D236-P238 WeakPolarHBondContact O-CD 3.4Å
237C88.8Confident78.4Confident0 Ų085.5 Ų85.50%046%0.459CS..  trans-71.1123-175.1-171.60000111.5C224 V226 H232 V233 A234 R235 M239 R240 Q241C224-C237 VanDerWaalsContact SG-CB 3.58Å; V226-C237 HydrophobicContact CB-CB 4.1Å; V226-C237 HydrophobicContact CG1-CB 4.48Å; V226-C237 HydrophobicContact CG2-CB 4.36Å; H232-C237 WeakPolarHBondContact CD2-CA 3.48Å; H232-C237 WeakPolarHBondContact NE2-CA 3.46Å; H232-C237 PolarHBondContact NE2-SG 3.24Å; V233-C237 PolarHBondContact O-N 2.91Å; A234-C237 WeakPolarHBondContact O-CB 3.49Å; R235-C237 VanDerWaalsContact C-N 3.33Å; C237-M239 PolarHBondContact O-N 3.39Å; C237-R240 HydrophobicContact CB-CB 4.1Å; C237-R240 WeakPolarHBondContact O-CB 3.43Å; C237-R240 PolarHBondContact O-N 2.69Å; C237-Q241 PolarHBondContact O-N 3.22Å
238P87.5Confident76.6Confident85 Ų8591.9 Ų91.955%0.55249%0.486SS*.Hα-helixtrans-63.4-26.4178.825.2-33.5000112.4D236 R240 R242D236-P238 WeakPolarHBondContact O-CD 3.4Å; P238-R240 VanDerWaalsContact C-N 3.34Å; P238-R242 PolarHBondContact O-N 3.25Å
239M83.3Confident74.8Confident96 Ų9694.7 Ų94.747%0.47349%0.49SS..Hα-helixtrans-66.2-36.3173-70.6-170.661.200112.1V226 C227 C237 Q241 R242 E243V226-M239 HydrophobicContact CG1-CB 4.31Å; C227-M239 HydrophobicContact CB-CG 4.34Å; C227-M239 HydrophobicContact CB-SD 3.65Å; C237-M239 PolarHBondContact O-N 3.39Å; M239-Q241 PolarHBondContact O-N 3.28Å; M239-R242 PolarHBondContact O-N 2.99Å; M239-E243 PolarHBondContact O-N 3.25Å; M239-E243 VanDerWaalsContact O-N 3.08Å
240R83.3Confident73Confident146 Ų14694.7 Ų94.755%0.55149%0.493SS*.Hα-helixtrans-69.9-32.9-179.6-165.1171.6-171.5-93.7-4.6112.6A234 C237 P238 S244A234-R240 WeakPolarHBondContact O-CD 3.42Å; C237-R240 HydrophobicContact CB-CB 4.1Å; C237-R240 WeakPolarHBondContact O-CB 3.43Å; C237-R240 PolarHBondContact O-N 2.69Å; P238-R240 VanDerWaalsContact C-N 3.34Å; R240-S244 PolarHBondContact O-N 3.49Å
241Q69Low71Confident122 Ų12294.3 Ų94.357%0.5750%0.499SS*.Hα-helixtrans-72.8-33174-66.3-173.26.800112.2C237 M239 S244 N245C237-Q241 PolarHBondContact O-N 3.22Å; M239-Q241 PolarHBondContact O-N 3.28Å; Q241-S244 PolarHBondContact O-OG 3.17Å; Q241-N245 VanDerWaalsContact O-CG 3.25Å; Q241-N245 PolarHBondContact O-N 3.2Å; Q241-N245 PolarHBondContact O-ND2 3.36Å
242R66.4Low69.2Low207 Ų207101.4 Ų101.478%0.78152%0.524SS*.Hα-helixtrans-68.4-34.9172.9-86.1-174173.3-168.9-2.1112.5P238 M239 A246P238-R242 PolarHBondContact O-N 3.25Å; M239-R242 PolarHBondContact O-N 2.99Å; R242-A246 WeakPolarHBondContact O-CB 3.38Å; R242-A246 PolarHBondContact O-N 3.45Å
243E61Low67.2Low110 Ų110105.2 Ų105.251%0.51455%0.553SS.*Hα-helixtrans-70.3-39.4177.8-73.8172.9-175.300112.6M239 N245 A246 T247M239-E243 PolarHBondContact O-N 3.25Å; M239-E243 VanDerWaalsContact O-N 3.08Å; E243-N245 VanDerWaalsContact C-N 3.34Å; E243-N245 PolarHBondContact O-N 2.87Å; E243-A246 PolarHBondContact O-N 2.92Å; E243-T247 PolarHBondContact O-N 3.21Å; E243-T247 PolarHBondContact O-OG1 2.93Å
244S59.3Low64.9Low60 Ų60110.7 Ų110.742%0.4258%0.58SS.*Hα-helixtrans-67.5-36176.472.90000112.6R240 Q241 T247R240-S244 PolarHBondContact O-N 3.49Å; Q241-S244 PolarHBondContact O-OG 3.17Å; S244-T247 PolarHBondContact O-OG1 2.96Å
245N55.6Low63Low103 Ų103115.3 Ų115.355%0.55161%0.606SS**Hα-helixtrans-81.5-23.3-179.4-61.1-5.3000112.1Q241 E243Q241-N245 VanDerWaalsContact O-CG 3.25Å; Q241-N245 PolarHBondContact O-N 3.2Å; Q241-N245 PolarHBondContact O-ND2 3.36Å; E243-N245 VanDerWaalsContact C-N 3.34Å; E243-N245 PolarHBondContact O-N 2.87Å
246A56.2Low60.7Low50 Ų50113.2 Ų113.241%0.41361%0.61SS.*Hα-helixtrans-77.5-29.7174.700000112.8R242 E243 S250R242-A246 WeakPolarHBondContact O-CB 3.38Å; R242-A246 PolarHBondContact O-N 3.45Å; E243-A246 PolarHBondContact O-N 2.92Å; A246-S250 WeakPolarHBondContact O-CB 3.26Å; A246-S250 PolarHBondContact O-N 2.86Å; A246-S250 VanDerWaalsContact O-N 3.12Å; A246-S250 PolarHBondContact O-OG 3.3Å
247T55Low58.4Low101 Ų101113 Ų11362%0.6263%0.628SS**Hα-helixtrans-79.5-20.2-179.245.40000114.6E243 S244E243-T247 PolarHBondContact O-N 3.21Å; E243-T247 PolarHBondContact O-OG1 2.93Å; S244-T247 PolarHBondContact O-OG1 2.96Å
248E53.2Low55.9Low164 Ų164117.8 Ų117.877%0.76667%0.666SS**Hα-helixtrans-92.5-26.4179.2-63.1-171.9167.500112.6
249D53.2Low53.8Low141 Ų141121.8 Ų121.875%0.75468%0.683SS**Hα-helixtrans-96.8-18.9176.1-72.1-29.4000114.2
250S49.7Very low51.9Low75 Ų75122.5 Ų122.552%0.52470%0.697SS.*SBendtrans-95.32.8-179.2-53.60000114.9A246 M252A246-S250 WeakPolarHBondContact O-CB 3.26Å; A246-S250 PolarHBondContact O-N 2.86Å; A246-S250 VanDerWaalsContact O-N 3.12Å; A246-S250 PolarHBondContact O-OG 3.3Å; S250-M252 PolarHBondContact O-N 3.14Å; S250-M252 VanDerWaalsContact O-N 3.15Å
251A46.3Very low49.9Very low84 Ų84127.4 Ų127.469%0.69472%0.715SS**THydrogen-bonded Turntrans-73.85.9174.700000113.8
252M48.9Very low48.8Very low188 Ų188129 Ų12993%0.92672%0.723SS**THydrogen-bonded Turntrans-124.312.8179.1-62.1-150.9-175.100115.5S250S250-M252 PolarHBondContact O-N 3.14Å; S250-M252 VanDerWaalsContact O-N 3.15Å
253S45.7Very low47.5Very low105 Ų105124.9 Ų124.973%0.73473%0.726SS**  trans-150.578.3176.9-1470000113.1
254L41.2Very low46.5Very low167 Ų167131.6 Ų131.687%0.87475%0.746SS**  trans-121.690.5167.1-79.7174.3000109
255T45.9Very low45.5Very low126 Ų126140.2 Ų140.277%0.77377%0.77SS**  trans-149.9112.5149.551.20000109.5
256D39Very low44.4Very low167 Ų167142.9 Ų142.989%0.89378%0.783SS**  trans54.8112.1147.8-61.5-35.9000120.7
257G38.5Very low43.5Very low77 Ų77146.9 Ų146.979%0.79481%0.805SS**  trans171.987.3163.200000113.9
258A36.3Very low42.5Very low99 Ų99150.2 Ų150.282%0.81881%0.807SS**  trans-60.8129.1179.600000113.9
259L43.5Very low41.6Very low170 Ų170147.2 Ų147.289%0.8980%0.8SS**  trans-140.3103.9157.4-75-179000112.6
260S42.3Very low40.5Very low111 Ų111147.4 Ų147.478%0.77680%0.796SS**  trans35128.7136.3-1430000121.6E262S260-E262 PolarHBondContact O-N 2.96Å
261R42.4Very low39.8Very low248 Ų248148 Ų14894%0.93680%0.797SS**SBendtrans-97.541.8-164.2-166.2177161.4-170.8-5.1112.9
262E46.5Very low39.2Very low157 Ų157153 Ų15373%0.73481%0.805SS**  trans-139.462.1-164.8-154.579.7-134.200112.7S260S260-E262 PolarHBondContact O-N 2.96Å
263S39Very low38.6Very low119 Ų119148.4 Ų148.483%0.83279%0.788SS**  trans-163.435.7173.6-88.90000116.1
264R38.8Very low38.2Very low251 Ų251147.4 Ų147.495%0.94778%0.781SS**  trans-125.268.5170.1-64.5-169.1-170.4-158.44.7111.5
265R37.5Very low38.2Very low242 Ų242145.6 Ų145.691%0.91377%0.772SS**  trans-120.398162.2-77.2-172.5177.9179.41108.2
266L33.5Very low37.8Very low159 Ų159143.3 Ų143.383%0.83277%0.773SS**  trans-71.7142.8162.7-67.5172.7000108Y268L266-Y268 PolarHBondContact O-N 3.4Å
267P37.1Very low37.7Very low134 Ų134143.2 Ų143.287%0.8777%0.77SS**  trans-62.8130.2176.325.8-32.2000110
268Y33.9Very low37.5Very low171 Ų171145.3 Ų145.367%0.67177%0.772SS**  trans-117.1155.1171.273.1-91.1000109.1L266 E270L266-Y268 PolarHBondContact O-N 3.4Å; Y268-E270 HydrophobicContact CD2-CG 3.97Å; Y268-E270 HydrophobicContact CE2-CB 4.24Å; Y268-E270 HydrophobicContact CE2-CG 3.56Å; Y268-E270 WeakPolarHBondContact CE2-OE1 3.15Å
269V34.2Very low37.4Very low101 Ų101145.2 Ų145.261%0.61277%0.771SS**  trans-117.3121169.5179.40000107V271V269-V271 HydrophobicContact CG1-CG2 4.14Å
270E31.4Very low36.9Very low145 Ų145145.7 Ų145.768%0.67877%0.769SS**  trans-81.7128.8169.8-93.3166.7-169.800109.1Y268Y268-E270 HydrophobicContact CD2-CG 3.97Å; Y268-E270 HydrophobicContact CE2-CB 4.24Å; Y268-E270 HydrophobicContact CE2-CG 3.56Å; Y268-E270 WeakPolarHBondContact CE2-OE1 3.15Å
271V34.8Very low36.4Very low88 Ų88145.7 Ų145.753%0.53377%0.769SS.*  trans-124114.4173.4-175.70000107.6V269 V273V269-V271 HydrophobicContact CG1-CG2 4.14Å; V271-V273 HydrophobicContact CG1-CG2 4.14Å
272E32.3Very low35.9Very low187 Ų187139.1 Ų139.187%0.87476%0.758SS**  trans-86.8124.9170.5-71.6-173153.200109.6
273V36.9Very low35.5Very low93 Ų93138 Ų13856%0.56477%0.767SS**  trans-114.6121.8177.2-173.70000109V271 V323V271-V273 HydrophobicContact CG1-CG2 4.14Å; V273-V323 HydrophobicContact CG1-CG2 4.37Å
274S36.6Very low35.4Very low84 Ų84139.3 Ų139.359%0.58776%0.764SS**  trans-104.2109.5175.8340000110.2G276S274-G276 PolarHBondContact O-N 3.28Å
275N42Very low35.5Very low128 Ų128136 Ų13668%0.68476%0.759SS**  trans-80.6108.7175.6-107.5-0.8000110.6
276G36.4Very low35.2Very low78 Ų78128.1 Ų128.180%0.80475%0.754SS**  trans-104.761.2168.900000111.8S274 S278S274-G276 PolarHBondContact O-N 3.28Å; G276-S278 PolarHBondContact O-N 3.4Å
277M37.8Very low35.4Very low165 Ų165125.9 Ų125.981%0.81375%0.751SS**  trans-90.396.6168.8-72.1178.986.600109.6A279M277-A279 PolarHBondContact O-N 2.65Å
278S33.8Very low35.2Very low122 Ų122131.8 Ų131.885%0.85376%0.756SS**  trans-80.698.8154.5-77.80000107.9G276G276-S278 PolarHBondContact O-N 3.4Å
279A35.3Very low35.4Very low96 Ų96131.6 Ų131.679%0.79376%0.761SS**  trans-91.6105.3161.900000107.6M277M277-A279 PolarHBondContact O-N 2.65Å
280E32.3Very low35.4Very low180 Ų180135 Ų13584%0.84177%0.771SS**  trans-83.7137.3168.5-68.3-159.615200111.1
281S32.2Very low35.6Very low111 Ų111134.5 Ų134.578%0.77677%0.771SS**  trans89.6153.8155.489.50000118.4
282P31.4Very low35.7Very low110 Ų110138.2 Ų138.271%0.71478%0.78SS**  -136.1116.9-58.132.2-15.1000110.5
283C37.5Very low35.8Very low134 Ų134137.2 Ų137.291%0.90578%0.776SS**  trans-121.697.3167.6-69.40000110.1
284N37.3Very low35.6Very low146 Ų146143.5 Ų143.578%0.78179%0.79SS**  trans-4.6136.4147-86.7-39.1000117.7
285H41.7Very low35.3Very low181 Ų181147.6 Ų147.684%0.83880%0.801SS**  trans83.190.5163.3-64.552.3000116.8
286G31.6Very low34.9Very low78 Ų78148.2 Ų148.280%0.80480%0.8SS**  87.555.6109.400000117.6
287S37.3Very low34.7Very low112 Ų112150.7 Ų150.778%0.78380%0.795SS**  trans-177.4104.1142.639.40000110.1Q289S287-Q289 PolarHBondContact O-N 3.25Å
288R32Very low34.4Very low257 Ų257151.7 Ų151.797%0.9779%0.789SS**  trans-71.8100.8162.4-92.2179.2166.7175.6-4107.5
289Q39Very low34.5Very low167 Ų167149.9 Ų149.978%0.7877%0.773SS**  trans-116.8114.6156.7-79.5-170.7-15.900108.5S287 L291S287-Q289 PolarHBondContact O-N 3.25Å; Q289-L291 PolarHBondContact O-N 2.8Å
290H34.4Very low34.4Very low174 Ų174153.1 Ų153.181%0.80678%0.777SS**  trans-82.595.1177.3-136.5-113.8000106.6
291L35.6Very low34.7Very low133 Ų133147.4 Ų147.470%0.69676%0.761SS**  trans-116.690.7166.8-83.6161.3000107.3Q289 E293Q289-L291 PolarHBondContact O-N 2.8Å; L291-E293 PolarHBondContact O-N 3.02Å; L291-E293 VanDerWaalsContact O-N 3.14Å
292K35.9Very low34.8Very low166 Ų166147.4 Ų147.472%0.72276%0.755SS**  trans-76.678.7161.1-86.3-175.9172.5-178.10107
293E35.9Very low35.2Very low167 Ų167146.9 Ų146.978%0.7875%0.75SS**  trans-96.9111.6163.5-105.3173.9165.300107.9L291 M295L291-E293 PolarHBondContact O-N 3.02Å; L291-E293 VanDerWaalsContact O-N 3.14Å; E293-M295 PolarHBondContact O-N 3.02Å
294W32.1Very low35.1Very low225 Ų225146 Ų14685%0.85274%0.736SS**  trans-71.8114.8172.7-64.285.7000107.7
295M30.3Very low35.3Very low169 Ų169144.3 Ų144.383%0.83374%0.742SS**  trans-89.7105.1165.6-117.5171.476.300107.8E293 L297E293-M295 PolarHBondContact O-N 3.02Å; M295-L297 PolarHBondContact O-N 3.36Å
296E33.5Very low35.5Very low142 Ų142138.9 Ų138.966%0.66473%0.728SS**  trans-65.7110168.4-170.8-175.4154.600108.2R298E296-R298 HydrophobicContact CG-CG 4.36Å; E296-R298 IonicContact OE1-CZ 3.53Å; E296-R298 IonicContact OE1-NE 2.66Å; E296-R298 PolarHBondContact OE1-NE 3Å; E296-R298 IonicContact OE1-NH2 3.53Å; E296-R298 PolarHBondContact OE1-NH2 3.19Å
297L31.5Very low35.7Very low130 Ų130140.8 Ų140.868%0.68173%0.727SS**  trans-9896.6179.4-128.4148.3000108.5M295 V299M295-L297 PolarHBondContact O-N 3.36Å; L297-V299 HydrophobicContact CD2-CG2 4.16Å; L297-V299 PolarHBondContact O-N 3.38Å
298R31.5Very low36.2Very low186 Ų186141.3 Ų141.370%0.70273%0.728SS**  trans-80.6110.6174.1-66.6-175.6178.4-141.5-6.1109.6E296E296-R298 HydrophobicContact CG-CG 4.36Å; E296-R298 IonicContact OE1-CZ 3.53Å; E296-R298 IonicContact OE1-NE 2.66Å; E296-R298 PolarHBondContact OE1-NE 3Å; E296-R298 IonicContact OE1-NH2 3.53Å; E296-R298 PolarHBondContact OE1-NH2 3.19Å
299V37.2Very low36.7Very low84 Ų84132.2 Ų132.251%0.50970%0.703SS.*  trans-100.2111.5171.6-1760000108.8L297 A301 L313L297-V299 HydrophobicContact CD2-CG2 4.16Å; L297-V299 PolarHBondContact O-N 3.38Å; V299-A301 PolarHBondContact O-N 3.08Å; V299-L313 HydrophobicContact CG1-CD1 3.88Å
300N33Very low36.8Very low163 Ų163129.5 Ų129.587%0.87270%0.699SS**  trans-76.3102.6170.4-67.2-41.3000108.7
301A38.1Very low37.4Very low61 Ų61123.7 Ų123.750%0.50467%0.674SS.*  trans-106130172.200000110.5V299V299-A301 PolarHBondContact O-N 3.08Å
302V34.9Very low38Very low110 Ų110122.2 Ų122.267%0.66768%0.681SS**  trans-91.1115.3169.4178.20000107.5L304V302-L304 HydrophobicContact CG1-CD2 3.92Å; V302-L304 HydrophobicContact CG1-CG 4.35Å
303V38.2Very low38.7Very low100 Ų100117.7 Ų117.761%0.60666%0.664SS**  trans-88110.3171.7-177.80000107.7
304L36.2Very low39.3Very low115 Ų115111.6 Ų111.660%0.60265%0.646SS**  trans-83.3128.6174.8-65.2176.5000109.8V302 A306 C309V302-L304 HydrophobicContact CG1-CD2 3.92Å; V302-L304 HydrophobicContact CG1-CG 4.35Å; L304-A306 PolarHBondContact O-N 2.93Å; L304-C309 PolarHBondContact O-SG 3.28Å
305A42.1Very low40.4Very low111 Ų111105.7 Ų105.792%0.91763%0.63SS**SBendtrans-74.827.6-171.300000115.6
306A44.9Very low41.4Very low66 Ų66104 Ų10455%0.54562%0.624SS.*SBendtrans-136.8120.9179.200000111.7L304 C309L304-A306 PolarHBondContact O-N 2.93Å; A306-C309 PolarHBondContact O-SG 3.28Å; A306-C309 VanDerWaalsContact O-SG 3.37Å
307P37Very low42.5Very low119 Ų11999.1 Ų99.177%0.77361%0.608SS**SBendtrans-74.7146.9175.128.4-31.2000112
308P46.8Very low43.6Very low123 Ų12393.9 Ų93.980%0.79958%0.58SS**SBendcis-83.6119.9-1.131.9-27.9000110P310P308-P310 WeakPolarHBondContact O-CD 3.46Å
309C42.4Very low44.8Very low66 Ų6689.5 Ų89.545%0.44657%0.574SS.*  trans-73.6111.8177.8-39.20000108.3L304 A306 L311L304-C309 PolarHBondContact O-SG 3.28Å; A306-C309 PolarHBondContact O-SG 3.28Å; A306-C309 VanDerWaalsContact O-SG 3.37Å; C309-L311 PolarHBondContact O-N 3.36Å
310P40.6Very low45.8Very low109 Ų10990.5 Ų90.571%0.70859%0.585SS**  trans-75.6112.1159.113.54.1000105.5P308 A312P308-P310 WeakPolarHBondContact O-CD 3.46Å; P310-A312 PolarHBondContact O-N 3.42Å
311L47.2Very low46.9Very low53 Ų5388 Ų8828%0.27757%0.571SS.*  trans-51.3131.4160-75.9166.3000106.7C309 L313 G314 M315 L318 L325C309-L311 PolarHBondContact O-N 3.36Å; L311-L313 CarbonylContact C-O 3.57Å; L311-L313 VanDerWaalsContact CB-O 3.27Å; L311-L313 WeakPolarHBondContact CB-O 3.38Å; L311-L313 CarbonylContact O-C 3.54Å; L311-L313 PolarHBondContact O-N 3.21Å; L311-L313 VanDerWaalsContact O-O 3.1Å; L311-G314 PolarHBondContact O-N 3.44Å; L311-M315 HydrophobicContact CD1-CE 3.67Å; L311-L318 HydrophobicContact CB-CD1 4.47Å; L311-L318 HydrophobicContact CD1-CD1 3.69Å; L311-L325 HydrophobicContact CD1-CD1 3.69Å
312A47.9Very low47.2Very low101 Ų10188.1 Ų88.184%0.83558%0.578SS**SBendtrans-55.8-21.2-17800000112.2P310P310-A312 PolarHBondContact O-N 3.42Å
313L52.2Low48Very low71 Ų7184.4 Ų84.437%0.37256%0.556SS.*SBendtrans-94.6104.2158.3-62.7169.3000107.5V299 L311 A317 L318V299-L313 HydrophobicContact CG1-CD1 3.88Å; L311-L313 CarbonylContact C-O 3.57Å; L311-L313 VanDerWaalsContact CB-O 3.27Å; L311-L313 WeakPolarHBondContact CB-O 3.38Å; L311-L313 CarbonylContact O-C 3.54Å; L311-L313 PolarHBondContact O-N 3.21Å; L311-L313 VanDerWaalsContact O-O 3.1Å; L313-A317 HydrophobicContact CB-CB 4.5Å; L313-L318 HydrophobicContact CB-CD1 4.48Å; L313-L318 HydrophobicContact CB-CD2 4.32Å; L313-L318 HydrophobicContact CB-CG 4.11Å; L313-L318 HydrophobicContact CD1-CD2 4.22Å
314G47.6Very low48.2Very low40 Ų4085.9 Ų85.941%0.41257%0.565SS.*  trans-50.9152.4177.700000111.6L311 D316 A317 L318L311-G314 PolarHBondContact O-N 3.44Å; G314-D316 PolarHBondContact O-N 3.04Å; G314-A317 WeakPolarHBondContact O-CA 3.47Å; G314-A317 WeakPolarHBondContact O-CB 3.36Å; G314-A317 PolarHBondContact O-N 3.48Å; G314-L318 PolarHBondContact O-N 3.2Å
315M54.9Low48.7Very low101 Ų10184.4 Ų84.450%0.49856%0.557SS.*Hα-helixtrans-53.2-33.4-177.6-66.1-85.468.800112.6L311 A317 L318 T319 L325L311-M315 HydrophobicContact CD1-CE 3.67Å; M315-A317 VanDerWaalsContact C-N 3.33Å; M315-A317 PolarHBondContact O-N 3.18Å; M315-L318 HydrophobicContact CE-CB 4.43Å; M315-L318 HydrophobicContact CE-CD1 3.51Å; M315-L318 PolarHBondContact O-N 3.48Å; M315-T319 WeakPolarHBondContact O-CB 3.47Å; M315-T319 PolarHBondContact O-N 3.49Å; M315-T319 PolarHBondContact O-OG1 3.31Å; M315-L325 HydrophobicContact CE-CD1 4.27Å
316D52.6Low48.6Very low133 Ų13387.8 Ų87.871%0.71155%0.554SS**Hα-helixtrans-62-37.9174.5-58.4-28.5000112.8G314 S320G314-D316 PolarHBondContact O-N 3.04Å; D316-S320 VanDerWaalsContact O-CB 3.26Å; D316-S320 WeakPolarHBondContact O-CB 3.28Å; D316-S320 PolarHBondContact O-N 2.85Å; D316-S320 PolarHBondContact O-OG 3.22Å
317A56.1Low48.4Very low40 Ų4093 Ų9333%0.33157%0.572SS.*Hα-helixtrans-71-40.5178.800000111.4L313 G314 M315 S320 L321L313-A317 HydrophobicContact CB-CB 4.5Å; G314-A317 WeakPolarHBondContact O-CA 3.47Å; G314-A317 WeakPolarHBondContact O-CB 3.36Å; G314-A317 PolarHBondContact O-N 3.48Å; M315-A317 VanDerWaalsContact C-N 3.33Å; M315-A317 PolarHBondContact O-N 3.18Å; A317-S320 PolarHBondContact O-N 2.98Å; A317-L321 VanDerWaalsContact O-CG 3.31Å; A317-L321 WeakPolarHBondContact O-CG 3.06Å; A317-L321 PolarHBondContact O-N 2.84Å; A317-L321 VanDerWaalsContact O-N 3.1Å
318L54.8Low48.2Very low20 Ų2089.6 Ų89.611%0.10555%0.551CS.*Hα-helixtrans-67.7-42.4175.9-71168.4000111.5L311 L313 G314 M315 S320 L321 G322 V323 L325L311-L318 HydrophobicContact CB-CD1 4.47Å; L311-L318 HydrophobicContact CD1-CD1 3.69Å; L313-L318 HydrophobicContact CB-CD1 4.48Å; L313-L318 HydrophobicContact CB-CD2 4.32Å; L313-L318 HydrophobicContact CB-CG 4.11Å; L313-L318 HydrophobicContact CD1-CD2 4.22Å; G314-L318 PolarHBondContact O-N 3.2Å; M315-L318 HydrophobicContact CE-CB 4.43Å; M315-L318 HydrophobicContact CE-CD1 3.51Å; M315-L318 PolarHBondContact O-N 3.48Å; L318-S320 VanDerWaalsContact C-N 3.31Å; L318-S320 PolarHBondContact O-N 3.05Å; L318-L321 CarbonylContact O-C 3.05Å; L318-L321 PolarHBondContact O-N 3.13Å; L318-G322 PolarHBondContact O-N 3.2Å; L318-V323 CarbonylContact C-O 3.57Å; L318-V323 HydrophobicContact CB-CB 4.4Å; L318-V323 HydrophobicContact CD2-CB 4.41Å; L318-V323 HydrophobicContact CD2-CG1 4.47Å; L318-V323 PolarHBondContact O-N 2.93Å; L318-L325 HydrophobicContact CD1-CD1 3.77Å
319T56.6Low47.9Very low93 Ų9388.1 Ų88.157%0.57155%0.549SS*.Hα-helixtrans-62.1-40.3174.4-51.50000111.1M315 L321 G322M315-T319 WeakPolarHBondContact O-CB 3.47Å; M315-T319 PolarHBondContact O-N 3.49Å; M315-T319 PolarHBondContact O-OG1 3.31Å; T319-L321 PolarHBondContact O-N 3.19Å; T319-G322 PolarHBondContact O-N 3.33Å
320S58.2Low47.5Very low106 Ų10690.7 Ų90.774%0.74156%0.555SS**Hα-helixtrans-66.4-22.9175.6-60.50000113.4D316 A317 L318 G322D316-S320 VanDerWaalsContact O-CB 3.26Å; D316-S320 WeakPolarHBondContact O-CB 3.28Å; D316-S320 PolarHBondContact O-N 2.85Å; D316-S320 PolarHBondContact O-OG 3.22Å; A317-S320 PolarHBondContact O-N 2.98Å; L318-S320 VanDerWaalsContact C-N 3.31Å; L318-S320 PolarHBondContact O-N 3.05Å; S320-G322 VanDerWaalsContact C-N 3.31Å
321L55.7Low47.2Very low111 Ų11189 Ų8958%0.58156%0.556SS**THydrogen-bonded Turntrans-87.52.9173.3-69.7170.1000113A317 L318 T319 V323A317-L321 VanDerWaalsContact O-CG 3.31Å; A317-L321 WeakPolarHBondContact O-CG 3.06Å; A317-L321 PolarHBondContact O-N 2.84Å; A317-L321 VanDerWaalsContact O-N 3.1Å; L318-L321 CarbonylContact O-C 3.05Å; L318-L321 PolarHBondContact O-N 3.13Å; T319-L321 PolarHBondContact O-N 3.19Å; L321-V323 HydrophobicContact CB-CG2 4.17Å; L321-V323 PolarHBondContact O-N 2.94Å
322G44.8Very low46.4Very low62 Ų6292.2 Ų92.264%0.63958%0.583SS**THydrogen-bonded Turntrans74.812.8-176.100000113.9L318 T319 S320L318-G322 PolarHBondContact O-N 3.2Å; T319-G322 PolarHBondContact O-N 3.33Å; S320-G322 VanDerWaalsContact C-N 3.31Å
323V50.3Low45.5Very low33 Ų3392.7 Ų92.720%0.257%0.571CS.*  trans-92.7112.4179.3-175.70000109V273 L318 L321 L325V273-V323 HydrophobicContact CG1-CG2 4.37Å; L318-V323 CarbonylContact C-O 3.57Å; L318-V323 HydrophobicContact CB-CB 4.4Å; L318-V323 HydrophobicContact CD2-CB 4.41Å; L318-V323 HydrophobicContact CD2-CG1 4.47Å; L318-V323 PolarHBondContact O-N 2.93Å; L321-V323 HydrophobicContact CB-CG2 4.17Å; L321-V323 PolarHBondContact O-N 2.94Å; V323-L325 HydrophobicContact CG1-CD2 4.5Å; V323-L325 HydrophobicContact CG1-CG 4.26Å
324T43.8Very low44.4Very low131 Ų13195.1 Ų95.180%0.80459%0.589SS**  trans-94.3124.9165.818.70000108.7
325L47Very low43.6Very low83 Ų8399.9 Ų99.944%0.43560%0.6SS.*  trans-107.4114.5172.2-73.2171.9000108.2L311 M315 L318 V323L311-L325 HydrophobicContact CD1-CD1 3.69Å; M315-L325 HydrophobicContact CE-CD1 4.27Å; L318-L325 HydrophobicContact CD1-CD1 3.77Å; V323-L325 HydrophobicContact CG1-CD2 4.5Å; V323-L325 HydrophobicContact CG1-CG 4.26Å
326E38.5Very low42.6Very low183 Ų183101.2 Ų101.286%0.85561%0.609SS**  trans-90.2117.9164.1-74.1-152.8145.900109.4S328E326-S328 PolarHBondContact O-N 3.47Å
327L41.2Very low41.5Very low174 Ų174102.4 Ų102.491%0.91161%0.612SS**  trans-84.596.3170.2-66171.2000107.8
328S33.7Very low40.5Very low48 Ų48107.8 Ų107.834%0.33664%0.636SS.*  trans-70.4136.9169.7178.50000110.3E326 Q330E326-S328 PolarHBondContact O-N 3.47Å; S328-Q330 CarbonylContact C-O 3.53Å; S328-Q330 WeakPolarHBondContact CB-O 3.23Å; S328-Q330 CarbonylContact O-C 3.57Å; S328-Q330 PolarHBondContact O-N 2.87Å; S328-Q330 PolarHBondContact OG-N 2.84Å; S328-Q330 VanDerWaalsContact OG-N 3.1Å; S328-Q330 PolarHBondContact OG-O 3.3Å; S328-Q330 VanDerWaalsContact OG-O 3.13Å; S328-Q330 PolarHBondContact OG-OE1 3.12Å; S328-Q330 VanDerWaalsContact OG-OE1 3.13Å
329A38.7Very low39.6Very low93 Ų93114.7 Ų114.777%0.76967%0.672SS**SBendtrans-65.4-14.4170.800000112.3
330Q35.9Very low38.5Very low120 Ų120121.7 Ų121.756%0.56169%0.688SS**SBendtrans-91.3119.6159.2-61.8100.716.100108.1S328 S332S328-Q330 CarbonylContact C-O 3.53Å; S328-Q330 WeakPolarHBondContact CB-O 3.23Å; S328-Q330 CarbonylContact O-C 3.57Å; S328-Q330 PolarHBondContact O-N 2.87Å; S328-Q330 PolarHBondContact OG-N 2.84Å; S328-Q330 VanDerWaalsContact OG-N 3.1Å; S328-Q330 PolarHBondContact OG-O 3.3Å; S328-Q330 VanDerWaalsContact OG-O 3.13Å; S328-Q330 PolarHBondContact OG-OE1 3.12Å; S328-Q330 VanDerWaalsContact OG-OE1 3.13Å; Q330-S332 PolarHBondContact O-N 3.44Å
331G32.8Very low37.4Very low72 Ų72125.1 Ų125.174%0.74269%0.693SS**THydrogen-bonded Turntrans-39.7127.6-177.400000113.7L333G331-L333 PolarHBondContact O-N 2.89Å
332S31.3Very low36.3Very low121 Ų121125.6 Ų125.685%0.84670%0.703SS**THydrogen-bonded Turntrans34.264.4164.8-45.50000116.9Q330Q330-S332 PolarHBondContact O-N 3.44Å
333L28.7Very low36Very low111 Ų111129.2 Ų129.258%0.58171%0.712SS**  trans-100.1101.7154.7-159.987.3000108.4G331 Q335G331-L333 PolarHBondContact O-N 2.89Å; L333-Q335 HydrophobicContact CD2-CB 4.14Å; L333-Q335 PolarHBondContact O-N 3.34Å
334V29.9Very low35.2Very low122 Ų122134.8 Ų134.874%0.73974%0.741SS**  trans-80.498166.81790000106.7
335Q31Very low35.2Very low140 Ų140137.7 Ų137.765%0.65474%0.743SS**  trans-104.7102.1176.7-160.2168.43.600109.4L333 M337L333-Q335 HydrophobicContact CD2-CB 4.14Å; L333-Q335 PolarHBondContact O-N 3.34Å; Q335-M337 HydrophobicContact CG-CG 4.4Å; Q335-M337 PolarHBondContact O-N 3.15Å
336L32.6Very low34.7Very low130 Ų130142.5 Ų142.568%0.68176%0.763SS**  trans-73.3101168.8-87.6151.9000108.9
337M29.5Very low34.6Very low158 Ų158140.9 Ų140.978%0.77876%0.758SS**  trans-94.7107.1163.8-66.6-159.975.900108.8Q335Q335-M337 HydrophobicContact CG-CG 4.4Å; Q335-M337 PolarHBondContact O-N 3.15Å
338N35.5Very low34.2Very low153 Ų153140 Ų14082%0.81875%0.754SS**  trans-82.8128.4163.7-98.3-23.2000108.9R340N338-R340 PolarHBondContact O-N 2.68Å
339D35.7Very low34.1Very low164 Ų164143.1 Ų143.188%0.87777%0.773SS**  trans-51.5106.8172.1-71.5-53.2000112.2
340R34.4Very low33.9Very low240 Ų240145.4 Ų145.491%0.90678%0.777SS**  trans-131.8111.1146.3-88.5-169.9175179.7-0.8108.3N338N338-R340 PolarHBondContact O-N 2.68Å
341Q34.9Very low33.7Very low179 Ų179150.1 Ų150.184%0.83679%0.79SS**PPolyproline II helixtrans-49.9147.3165.8-91.2-160.5-10.600111.3T343Q341-T343 PolarHBondContact O-N 3.42Å
342P32.2Very low33.6Very low121 Ų121150.9 Ų150.979%0.78679%0.79SS**PPolyproline II helixtrans-70.8130.5-174.530.5-32.5000109.7
343T39Very low33.9Very low137 Ų137153 Ų15384%0.8479%0.786SS**PPolyproline II helixtrans-103.2117.6164.218.10000108Q341 K345Q341-T343 PolarHBondContact O-N 3.42Å; T343-K345 PolarHBondContact O-N 3.15Å
344D33.3Very low34.3Very low151 Ų151154.2 Ų154.281%0.80780%0.798SS**PPolyproline II helixtrans-50.9121.8170.3-76.7-45.4000110.8
345K42.3Very low34.2Very low192 Ų192160.3 Ų160.384%0.83581%0.808SS**  trans155.8142140.9-81.4152.4-165.7-179.50110.3T343T343-K345 PolarHBondContact O-N 3.15Å
346E38.3Very low34.5Very low183 Ų183160.6 Ų160.686%0.85582%0.819SS**  trans82.178.2-176-54.8-170.6161.900113.4
347I35.6Very low34.6Very low149 Ų149158.7 Ų158.776%0.76482%0.822SS**  48.492.266.2-40.5176000112.5
348L32.6Very low35Very low155 Ų155159.7 Ų159.781%0.81283%0.825SS**  -178.2132.8100.7-90.2172.1000110.8
349P32.7Very low35.1Very low115 Ų115160.8 Ų160.875%0.74783%0.825SS**  trans-92143.2-176.435.7-30.5000111.5
350T34.3Very low35Very low140 Ų140157.5 Ų157.586%0.85981%0.813SS**  trans-126.799.1162.1-47.10000110.6
351R31Very low34.7Very low219 Ų219152.6 Ų152.683%0.82680%0.804SS**  trans64.4104.8141.3-147.9168.3173.1156.6-3.2119
352A31.2Very low34.4Very low89 Ų89149.9 Ų149.974%0.73680%0.799SS**  trans-72.8143.3165.400000112.5
353E37.2Very low34.2Very low165 Ų165149.4 Ų149.477%0.77180%0.799SS**  trans-133.6107.2145.7-72.1-171.2171.200109.2
354T35.9Very low33.7Very low136 Ų136149.3 Ų149.383%0.83480%0.798SS**  trans56.3105.3144.156.80000120.7
355W29.2Very low33.3Very low251 Ų251150.1 Ų150.195%0.95180%0.799SS**  trans-82.3141.8155.2-70.354000110.4
356T36.4Very low32.7Very low145 Ų145145.5 Ų145.589%0.8980%0.797SS**  trans-144.2126.3142.7450000108.7
357A34.7Very low32.1Very low90 Ų90140.2 Ų140.274%0.74479%0.791SS**  trans-64.2149.7179.600000112.4
358E37.9Very low31.7Very low179 Ų179138.6 Ų138.684%0.83679%0.788SS**  176.8134.3128.6-96.9172.8-164.600111.5
359E39Very low31.6Very low176 Ų176137.8 Ų137.882%0.82279%0.79SS**  trans88.2150146.5-63.7-91.7130.100120.9
360P32.7Very low31.5Very low95 Ų95143.1 Ų143.162%0.61780%0.796SS**  trans-104.4162.7-130.238.7-35.9000116.1T362P360-T362 PolarHBondContact O-N 2.81Å
361I27.3Very low31.3Very low138 Ų138139.8 Ų139.871%0.70879%0.79SS**  trans-62.3111.5177.2-58.9167000109.8
362T30.4Very low31.6Very low122 Ų122138.7 Ų138.775%0.74879%0.794SS**  trans-104.3137.8170.346.90000111.2P360P360-T362 PolarHBondContact O-N 2.81Å
363S27.1Very low31.8Very low111 Ų111142.7 Ų142.778%0.77680%0.797SS**  trans-48.4128-174.8178.30000115.4
364V27.9Very low32Very low135 Ų135143.3 Ų143.382%0.81881%0.805SS**  trans-86.9105.9168.6178.30000109.2
365M25.9Very low32.2Very low167 Ų167144.3 Ų144.382%0.82381%0.806SS**  trans-93.8114162.5-80-99.7-77.100108.3G367M365-G367 PolarHBondContact O-N 2.98Å
366A29.1Very low32.7Very low96 Ų96135.6 Ų135.679%0.79379%0.793SS**  trans-79.2102.3170.600000109.6
367G26.3Very low32.9Very low71 Ų71138.1 Ų138.173%0.73280%0.795SS**  trans-85.8122.7161.100000109.6M365M365-G367 PolarHBondContact O-N 2.98Å
368V27.7Very low33.1Very low116 Ų116137.9 Ų137.970%0.70380%0.801SS**  trans-96.4111.9169.3178.10000107.8Y370V368-Y370 HydrophobicContact CG1-CE2 4.35Å
369T29.6Very low33.1Very low138 Ų138133.3 Ų133.385%0.84780%0.803SS**  trans-88127.8166.944.70000109.1
370Y30.2Very low33.1Very low226 Ų226133.7 Ų133.789%0.88680%0.804SS**  trans-86.6123.5166.7-79.1-90.3000108.5V368V368-Y370 HydrophobicContact CG1-CE2 4.35Å
371G30.3Very low33.4Very low70 Ų70133.2 Ų133.272%0.72280%0.803SS**  trans-131.7116.8169.300000109.7
372E37.5Very low34.1Very low197 Ų197138.5 Ų138.592%0.92181%0.814SS**  trans-136.3114.3147.3-74.7-165.2143.600108.3
373Q34.7Very low34.4Very low172 Ų172136.2 Ų136.280%0.80482%0.815SS**  trans-70.4131.6166.1-73.7168.8-42.100109.1
374L42.4Very low34.9Very low178 Ų178135.2 Ų135.293%0.93282%0.822SS**  trans-139.7115.9141.3-76.1-178.6000108.9
375N40.3Very low35.2Very low158 Ų158132.3 Ų132.385%0.84582%0.819SS**  trans-67149.1174.1-66.1-41.2000111
376G38.9Very low35.8Very low67 Ų67129.4 Ų129.469%0.69182%0.815SS**  trans163.777.7166.500000113.3
377E42Very low35.9Very low198 Ų198135.8 Ų135.893%0.92582%0.819SS**  trans29109.3137.2-51.9-178.8136.700116.1
378G38.8Very low36.6Very low85 Ų85140.1 Ų140.188%0.87683%0.826SS**  105.111575.800000109
379G37.4Very low37Very low84 Ų84142.7 Ų142.787%0.86683%0.83SS**  trans164.481.7-179.800000114.6
380E37.6Very low37.6Very low184 Ų184141.2 Ų141.286%0.8682%0.822SS**  trans-54.1152.4179.4-110.2159.282.800117.5
381S40.8Very low38Very low84 Ų84135.4 Ų135.459%0.58782%0.815SS**  100.7122.2127.4-88.50000121
382R40.5Very low38.2Very low250 Ų250138.9 Ų138.994%0.94382%0.817SS**  trans77128.3143.1-65.6169.9162.2-165.6-5.9116.1
383G37.4Very low38.4Very low74 Ų74136 Ų13676%0.76381%0.812SS**  cis151.5145.19.200000108.8
384G37Very low38.3Very low89 Ų89134.6 Ų134.692%0.91881%0.811SS**  trans71.6138.7166.600000115.1
385G34.7Very low38.4Very low74 Ų74133 Ų13376%0.76381%0.808SS**  cis153.3159.511.600000108.1
386S38.7Very low38.3Very low107 Ų107129 Ų12975%0.74881%0.805SS**  trans86.195.6160.7-149.50000119.9
387W31.3Very low38Very low230 Ų230131.7 Ų131.787%0.87181%0.813SS**  -8.4137125.7-61.483.1000117.6
388N40.8Very low37.7Very low162 Ų162131.1 Ų131.187%0.86681%0.808SS**  trans-166.4113.6138.1-88.7-33.1000111.7
389H36.3Very low37.8Very low170 Ų170133 Ų13379%0.78781%0.808SS**  trans-84.5-178.3146.6-95.9-73.4000108.1
390P41.7Very low38.1Very low106 Ų106138.1 Ų138.169%0.68880%0.802SS**  cis-135.3-161.5-20.429.9-6.5000112.3
391S38.7Very low37.9Very low105 Ų105137.6 Ų137.673%0.73480%0.799SS**  trans106.8103.4154.7-36.10000115.4
392N34.1Very low38Very low142 Ų142140.2 Ų140.276%0.75981%0.811SS**  83.3116.589.6-16516.1000112.8
393T42.5Very low37.9Very low136 Ų136132.4 Ų132.483%0.83480%0.795SS**  179.4128.8120.6320000112.8
394N32.4Very low38.5Very low144 Ų144134.7 Ų134.777%0.7780%0.797SS**  trans-48.9139.8167.1-174.514.8000114.8
395T44.3Very low39Very low143 Ų143136.9 Ų136.988%0.87779%0.792SS**  trans-165.1136.9141.542.30000112
396G37.7Very low39.1Very low76 Ų76138.9 Ų138.978%0.78479%0.794SS**  trans120.261.5137.400000119.8
397S32.6Very low39.7Very low123 Ų123145.4 Ų145.486%0.8680%0.802SS**  trans-70.4133.9159.9-53.20000112
398K37.5Very low40.3Very low185 Ų185142.6 Ų142.680%0.80480%0.804SS**  trans-164.9114.7153.8-106170.7-172.2178.20110.4
399S40.2Very low40.8Very low125 Ų125148.2 Ų148.287%0.87482%0.82SS**  trans-149.9138.4157.6179.90000109.4
400Y43.6Very low41Very low192 Ų192147.1 Ų147.175%0.75382%0.822SS**  trans-91.5145-156.7-73.9-101.5000113.1
401H34Very low40.9Very low173 Ų173149.3 Ų149.380%0.80183%0.829SS**  trans-81135.2169.4-132-77.4000110
402V42.5Very low41.1Very low138 Ų138151.7 Ų151.784%0.83683%0.834SS**  trans-138.9116.1158-176.90000108.5
403S37.4Very low41.5Very low87 Ų87152.3 Ų152.361%0.60884%0.839SS**  trans-117.4134.3167.2-60.30000108.5
404P51Low41.4Very low122 Ų122153.3 Ų153.379%0.79284%0.839SS**  trans-95.3112.8168.731.2-24.4000111.8
405V47.7Very low42Very low134 Ų134153.9 Ų153.981%0.81284%0.843SS**  trans12.7119.7137.9-172.70000118.3
406S36.7Very low41.9Very low117 Ų117154.7 Ų154.782%0.81884%0.841SS**  trans-62.2135.1161-410000112.1
407R50.1Low42.2Very low243 Ų243160.8 Ų160.892%0.91785%0.845SS**  trans-114.3117.2163-119.6-176.9-166.2-1664.3109.9
408L44.7Very low43Very low172 Ų172163.9 Ų163.990%0.90184%0.844SS**  trans-61.8132.9163-83.9136.7000110.9
409K50.3Low43.5Very low279 Ų279162 Ų162100%1.21385%0.848SS**  trans-153.80131.8-120.2-178.4-177.4-176.30109.2

Retrieved 409 of 409 residues in 248.8 ms (Link to these results)