X6R5G7_HUMAN Loading...

Terminal uridylyl transferase 4

AlphaFold DB , UniProt , Accession X6R5G7, Species HUMAN (Homo sapiens, Human), Gene TUT4, Length 309 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
1M53.4Low43.2Very low238 Ų238162.7 Ų162.7100%1.17283%0.829SS**  01240-68.9178.7-74.400106.8
2E41.1Very low43.2Very low201 Ų201164.8 Ų164.894%0.93983%0.832SS**  trans-174.8159.2137.3-106.4-177.2128.400108.6
3E41.3Very low43Very low179 Ų179162.8 Ų162.884%0.83682%0.818SS**  trans-130154.6-169.1-62.8-171.5163.900112.5
4S48Very low43.7Very low95 Ų95159.4 Ų159.466%0.66481%0.813SS**  trans48.1114.7140.8-61.10000120.4
5K42.1Very low43.7Very low198 Ų198159.7 Ų159.786%0.86181%0.806SS**  trans168.1152.7130.1-91.5147.6-164.5167.20111.8
6T39.4Very low44.2Very low111 Ų111160.6 Ų160.668%0.68180%0.803SS**  cis-171.3166.6-28.923.60000107.3
7L38.2Very low44.2Very low162 Ų162159.6 Ų159.685%0.84880%0.802SS**  trans71.9162169.5-37.2-177.8000114.2
8K39.8Very low43.7Very low178 Ų178157.1 Ų157.177%0.77480%0.795SS**  cis-144.3152.11.4-158.4-178.4177.4-164.90109.9
9S47.3Very low43.5Very low106 Ų106156.7 Ų156.774%0.74179%0.794SS**  trans-81.4138172.855.50000112.4
10E39.4Very low43.1Very low179 Ų179155.1 Ų155.184%0.83680%0.796SS**  trans-151.3145.2148.9-147.2150.4139.500110.9
11N45.5Very low42.7Very low143 Ų143156.1 Ų156.177%0.76580%0.798SS**  trans-90.6134.7177.5-79.8-77.8000110
12H43.3Very low42.3Very low187 Ų187153.8 Ų153.887%0.86678%0.784SS**  170122.6123.6-94-68.9000109.3P14H12-P14 WeakPolarHBondContact O-CD 3.43Å
13E40.6Very low42.6Very low139 Ų139149.4 Ų149.465%0.6578%0.775SS**  trans-99116.6179.6-176.1174.1-116.600111K15E13-K15 HydrophobicContact CG-CB 4.22Å; E13-K15 HydrophobicContact CG-CD 4.13Å; E13-K15 HydrophobicContact CG-CG 3.84Å; E13-K15 PolarHBondContact O-N 3.47Å; E13-K15 WeakPolarHBondContact OE1-CE 3.5Å; E13-K15 IonicContact OE1-NZ 2.85Å; E13-K15 PolarHBondContact OE1-NZ 3.29Å; E13-K15 IonicContact OE2-NZ 3.26Å
14P52.4Low42.8Very low116 Ų116149.6 Ų149.675%0.75377%0.773SS**  trans-98.455.6178.138.4-34.2000111.5H12 K16H12-P14 WeakPolarHBondContact O-CD 3.43Å; P14-K16 PolarHBondContact O-N 3.3Å
15K43.3Very low42.6Very low163 Ų163150.3 Ų150.371%0.70979%0.785SS**  trans-72.2121.5179.1-90.9-179.3-176.4145.50111.9E13E13-K15 HydrophobicContact CG-CB 4.22Å; E13-K15 HydrophobicContact CG-CD 4.13Å; E13-K15 HydrophobicContact CG-CG 3.84Å; E13-K15 PolarHBondContact O-N 3.47Å; E13-K15 WeakPolarHBondContact OE1-CE 3.5Å; E13-K15 IonicContact OE1-NZ 2.85Å; E13-K15 PolarHBondContact OE1-NZ 3.29Å; E13-K15 IonicContact OE2-NZ 3.26Å
16K52.3Low42.6Very low174 Ų174146.6 Ų146.676%0.75778%0.779SS**  trans-105.5160.5169.6-59.4176.1-173.6178.90108.6P14P14-K16 PolarHBondContact O-N 3.3Å
17N44.4Very low42.8Very low145 Ų145149.8 Ų149.878%0.77579%0.786SS**  trans53.4157.5154.466.4-54.8000122.5
18V35.7Very low43.1Very low114 Ų114148.1 Ų148.169%0.69178%0.782SS**  trans91.287.2164.9-165.50000118.8
19I39.9Very low43.5Very low149 Ų149145.8 Ų145.876%0.76478%0.777SS**  54.9135.2119.2-60.7166.6000121
20C33.8Very low43.4Very low125 Ų125144 Ų14485%0.84578%0.775SS**  trans68.3149.7173.8-72.10000115.5
21E35.4Very low43.6Very low177 Ų177142 Ų14283%0.82777%0.77SS**  cis-142.7170.129.7-164.3172.2-154.700114.1S23E21-S23 PolarHBondContact O-N 3.44Å; E21-S23 PolarHBondContact O-OG 3.05Å
22E45.9Very low43.6Very low189 Ų189142.9 Ų142.988%0.88377%0.769SS**  trans-60.6125.2-178.9-174.5-170.7135.900113.5
23S46.5Very low43.9Very low108 Ų108140 Ų14076%0.75577%0.765SS**  trans-142.876.1-179.837.30000114.1E21E21-S23 PolarHBondContact O-N 3.44Å; E21-S23 PolarHBondContact O-OG 3.05Å
24K46.4Very low44.4Very low183 Ų183139.9 Ų139.980%0.79677%0.768SS**  trans40.895.6151.5-61.5178.8-177.4175.80117V26K24-V26 VanDerWaalsContact C-N 3.32Å; K24-V26 PolarHBondContact O-N 3.47Å
25A41.9Very low44.2Very low110 Ų110143.6 Ų143.691%0.90977%0.773SS**  trans-6880.7168.900000112.7Q27A25-Q27 PolarHBondContact O-N 3.03Å
26V43.3Very low44.4Very low120 Ų120140.7 Ų140.773%0.72778%0.779SS**  trans-73.7108.7167.81780000108.5K24 V28K24-V26 VanDerWaalsContact C-N 3.32Å; K24-V26 PolarHBondContact O-N 3.47Å; V26-V28 PolarHBondContact O-N 3.03Å
27Q44.5Very low44Very low179 Ų179144.3 Ų144.384%0.83679%0.788SS**  trans-72.197.3-177.5-170.1175.363.300110.9A25 I29A25-Q27 PolarHBondContact O-N 3.03Å; Q27-I29 PolarHBondContact O-N 2.88Å
28V44Very low44Very low127 Ų127144.2 Ų144.277%0.7779%0.787SS**  trans-70.4112.7177.7178.70000110V26 G30V26-V28 PolarHBondContact O-N 3.03Å; V28-G30 PolarHBondContact O-N 3.09Å
29I48.2Very low44.1Very low129 Ų129144.2 Ų144.266%0.66278%0.783SS**  trans-74.993.6178.2-56.9176.8000109.5Q27 N31Q27-I29 PolarHBondContact O-N 2.88Å; I29-N31 VanDerWaalsContact C-N 3.34Å; I29-N31 PolarHBondContact O-N 3.48Å
30G44.4Very low44.5Very low67 Ų67144.3 Ų144.369%0.69178%0.778SS**  trans-73.874-179.700000114V28 Q32V28-G30 PolarHBondContact O-N 3.09Å; G30-Q32 PolarHBondContact O-N 2.84Å
31N43.3Very low44.9Very low139 Ų139143.9 Ų143.974%0.74378%0.777SS**  trans-72.165.9175.9-73.4-35.6000112.8I29 T33I29-N31 VanDerWaalsContact C-N 3.34Å; I29-N31 PolarHBondContact O-N 3.48Å; N31-T33 PolarHBondContact O-N 2.94Å
32Q46.2Very low45.1Very low160 Ų160141.8 Ų141.875%0.74878%0.776SS**  trans-80.877.2-179.9-170.9173.987.700112.3G30 L34G30-Q32 PolarHBondContact O-N 2.84Å; Q32-L34 VanDerWaalsContact C-N 3.34Å; Q32-L34 HydrophobicContact CG-CD1 3.77Å; Q32-L34 HydrophobicContact CG-CG 3.76Å; Q32-L34 PolarHBondContact O-N 2.77Å
33T49.8Very low45.3Very low127 Ų127142.1 Ų142.178%0.77977%0.774SS**  trans-78.180.3170.1-54.80000110.7N31N31-T33 PolarHBondContact O-N 2.94Å
34L49.8Very low45Very low136 Ų136145.2 Ų145.271%0.71278%0.776SS**PPolyproline II helixtrans-93.3132.1170.1-70.8176.3000111.3Q32Q32-L34 VanDerWaalsContact C-N 3.34Å; Q32-L34 HydrophobicContact CG-CD1 3.77Å; Q32-L34 HydrophobicContact CG-CG 3.76Å; Q32-L34 PolarHBondContact O-N 2.77Å
35K48.5Very low44.8Very low195 Ų195142.8 Ų142.885%0.84877%0.771SS**PPolyproline II helixtrans-73136.7-173-73.4-77-173.6175.10111.4
36A47.9Very low44.7Very low101 Ų101146.3 Ų146.384%0.83577%0.769SS**PPolyproline II helixtrans-60.2138.817400000112.5
37R44.9Very low44.7Very low251 Ų251148.3 Ų148.395%0.94778%0.775SS**  trans-131.8138.8154.4-87-172.6166.2146.2-2.3109.4
38N44.2Very low44.5Very low142 Ų142145.1 Ų145.176%0.75977%0.773SS**  trans-78.8140.1-175.8166.535.4000111.5
39D38Very low44.5Very low114 Ų114144.1 Ų144.161%0.6177%0.771SS**  trans-160.5116.7133.5-120.4-2.4000114.4
40K47.7Very low44.2Very low152 Ų152143.8 Ų143.866%0.66178%0.778SS**  trans60.7120.7143.2-60157-171.3148.10121.9
41S41.4Very low44.1Very low116 Ų116146.7 Ų146.781%0.81178%0.777SS**  trans65.4143.8154.166.50000117.1
42V40.6Very low44.2Very low133 Ų133151.5 Ų151.581%0.80679%0.785SS**  cis-138.7170.137.1160.70000111.7
43K49.7Very low44.2Very low195 Ų195149.6 Ų149.685%0.84878%0.78SS**  trans-61.7140.4171.8-60.3173.3177.3178.10111.5
44E40.9Very low44.2Very low173 Ų173148.8 Ų148.881%0.80878%0.78SS**  -161.5143.6126-114.9-179.8132.600113.7
45I42.2Very low44.2Very low132 Ų132147.2 Ų147.268%0.67778%0.78SS**  trans28.1109.5157.3-60.2160000119N47I45-N47 PolarHBondContact O-N 3.02Å
46E40Very low44.1Very low185 Ų185147 Ų14786%0.86478%0.779SS**  trans-26.6109.3147.4-177.2175.5-175.400115.2S48E46-S48 PolarHBondContact O-N 2.77Å
47N41.8Very low44.1Very low161 Ų161151.7 Ų151.786%0.86178%0.78SS**PPolyproline II helixtrans-68.2117.6170.9-79.1-34.6000110.5I45 S49I45-N47 PolarHBondContact O-N 3.02Å; N47-S49 PolarHBondContact O-N 3.24Å
48S41.2Very low44.2Very low112 Ų112145 Ų14578%0.78376%0.764SS**PPolyproline II helixtrans-66.1129.8-17951.40000112.4E46E46-S48 PolarHBondContact O-N 2.77Å
49S44.3Very low44.6Very low107 Ų107146.8 Ų146.875%0.74877%0.765SS**PPolyproline II helixtrans-82.2127.7177.774.90000111.6N47 N51N47-S49 PolarHBondContact O-N 3.24Å; S49-N51 PolarHBondContact O-N 2.81Å
50P42.1Very low45.1Very low122 Ų122148 Ų14879%0.79277%0.767SS**  trans-73.399.6169.228.6-32.1000109.5R52P50-R52 PolarHBondContact O-N 2.92Å; P50-R52 VanDerWaalsContact O-N 3.09Å
51N41.5Very low45Very low127 Ų127146.9 Ų146.968%0.67977%0.768SS**  trans-52.3111.4176.1175.60.2000111.5S49 N53S49-N51 PolarHBondContact O-N 2.81Å; N51-N53 PolarHBondContact O-N 3.02Å; N51-N53 PolarHBondContact O-ND2 3.42Å; N51-N53 PolarHBondContact OD1-N 2.92Å
52R46.1Very low45Very low241 Ų241148.3 Ų148.391%0.90977%0.767SS**  trans-72.275.2171.8-83.7-171.5165-160.8-2.5111.3P50P50-R52 PolarHBondContact O-N 2.92Å; P50-R52 VanDerWaalsContact O-N 3.09Å
53N44.7Very low45.4Very low119 Ų119148.8 Ų148.864%0.63676%0.763SS**  trans-78.8134.8154.57189.2000109.1N51N51-N53 PolarHBondContact O-N 3.02Å; N51-N53 PolarHBondContact O-ND2 3.42Å; N51-N53 PolarHBondContact OD1-N 2.92Å
54S50.3Low44.9Very low111 Ų111145.1 Ų145.178%0.77676%0.761SS**  trans-138.371.3176.651.10000109.3K56S54-K56 PolarHBondContact O-N 2.65Å
55S49.4Very low45.4Very low103 Ų103143.3 Ų143.372%0.7276%0.755SS**  trans-66.680.3178.146.30000111K57S55-K57 VanDerWaalsContact C-N 3.29Å; S55-K57 PolarHBondContact O-N 3.28Å
56K46.6Very low45.3Very low191 Ų191144.9 Ų144.983%0.8376%0.759SS**  trans-63.683.6-178.8-173.3177.1-179.7176.70110.8S54 N58S54-K56 PolarHBondContact O-N 2.65Å; K56-N58 PolarHBondContact O-N 3.41Å
57K49.2Very low45.7Very low198 Ų198144.9 Ų144.986%0.86176%0.757SS**  trans-64.286.2167-75.9-168.8175.5-175.90109S55 K59S55-K57 VanDerWaalsContact C-N 3.29Å; S55-K57 PolarHBondContact O-N 3.28Å; K57-K59 VanDerWaalsContact C-N 3.29Å; K57-K59 PolarHBondContact O-N 3.35Å
58N45.9Very low45.7Very low112 Ų112142.4 Ų142.460%0.59975%0.747SS**  trans-68.188.4169.9-175.125.1000108.8K56 Q60K56-N58 PolarHBondContact O-N 3.41Å; N58-Q60 WeakPolarHBondContact ND2-CG 3.11Å; N58-Q60 PolarHBondContact O-N 3.13Å
59K53.2Low45.6Very low178 Ų178143.7 Ų143.777%0.77474%0.741SS**  trans-6592.1161.4179.477.5175.9-176.80106.2K57 N61K57-K59 VanDerWaalsContact C-N 3.29Å; K57-K59 PolarHBondContact O-N 3.35Å; K59-N61 PolarHBondContact O-N 2.83Å; K59-N61 VanDerWaalsContact O-N 3.13Å
60Q47.9Very low45.6Very low140 Ų140145 Ų14565%0.65474%0.744SS**  trans-60.3117.5170.9-72.2175.3-63.700107.4N58 D62N58-Q60 WeakPolarHBondContact ND2-CG 3.11Å; N58-Q60 PolarHBondContact O-N 3.13Å; Q60-D62 PolarHBondContact O-N 3.47Å
61N44.9Very low45.9Very low128 Ų128146.4 Ų146.468%0.68474%0.738SS**  trans-81.3103.8162.3-71.1-18.2000105.8K59 I63K59-N61 PolarHBondContact O-N 2.83Å; K59-N61 VanDerWaalsContact O-N 3.13Å; N61-I63 HydrophobicContact CB-CG1 4.44Å; N61-I63 PolarHBondContact O-N 3.48Å
62D42.8Very low45.9Very low147 Ų147146 Ų14679%0.78675%0.745SS**  trans-68.583.3168.1-75.6-51.3000108.9Q60 C64Q60-D62 PolarHBondContact O-N 3.47Å; D62-C64 PolarHBondContact O-N 2.82Å
63I47.5Very low45.4Very low143 Ų143140.2 Ų140.273%0.73374%0.74SS**  trans-68.986.7164.9-59177000105.8N61 I65N61-I63 HydrophobicContact CB-CG1 4.44Å; N61-I63 PolarHBondContact O-N 3.48Å; I63-I65 HydrophobicContact CG2-CG1 4.48Å; I63-I65 PolarHBondContact O-N 3.04Å
64C39.8Very low45.6Very low118 Ų118143.2 Ų143.280%0.79775%0.748SS**  trans-65.399175.7-166.80000108.4D62 E66D62-C64 PolarHBondContact O-N 2.82Å; C64-E66 VanDerWaalsContact C-N 3.34Å; C64-E66 PolarHBondContact O-N 3.48Å
65I50.9Low45Very low135 Ų135144.3 Ų144.369%0.69275%0.749SS**  trans-71.995.2174.6-59.4178.3000107.2I63 K67I63-I65 HydrophobicContact CG2-CG1 4.48Å; I63-I65 PolarHBondContact O-N 3.04Å; I65-K67 PolarHBondContact O-N 2.94Å
66E40.6Very low44.3Very low164 Ų164145.5 Ų145.577%0.76675%0.748SS**  trans-59.4108.7172.1-170.8-178.616100109.2C64 T68C64-E66 VanDerWaalsContact C-N 3.34Å; C64-E66 PolarHBondContact O-N 3.48Å; E66-T68 VanDerWaalsContact C-N 3.34Å; E66-T68 PolarHBondContact O-N 2.96Å
67K48.8Very low44.1Very low185 Ų185141.7 Ų141.780%0.80475%0.751SS**  trans-79.682.1-180-69.2-179.6-178.8174.50109.7I65 E69I65-K67 PolarHBondContact O-N 2.94Å; K67-E69 PolarHBondContact O-N 2.87Å
68T42.1Very low43.7Very low109 Ų109136.9 Ų136.967%0.66975%0.748SS**  trans-63.8103.1172-42.70000110E66 V70E66-T68 VanDerWaalsContact C-N 3.34Å; E66-T68 PolarHBondContact O-N 2.96Å; T68-V70 PolarHBondContact O-N 2.67Å
69E38.4Very low43.4Very low139 Ų139139.1 Ų139.165%0.6576%0.761SS**  trans-71.384.5-177.8-61.8-179163.700112K67 K71K67-E69 PolarHBondContact O-N 2.87Å; E69-K71 VanDerWaalsContact C-N 3.35Å; E69-K71 PolarHBondContact O-N 2.71Å; E69-K71 WeakPolarHBondContact OE2-CE 3.49Å; E69-K71 IonicContact OE2-NZ 2.77Å; E69-K71 PolarHBondContact OE2-NZ 2.86Å
70V44.2Very low42.9Very low134 Ų134138.7 Ų138.781%0.81277%0.766SS**  trans-71.289.7174.8-175.80000110.2T68 S72T68-V70 PolarHBondContact O-N 2.67Å; V70-S72 PolarHBondContact O-N 3Å
71K49.5Very low42.8Very low153 Ų153137.9 Ų137.967%0.66577%0.773SS**  trans-71.4121.4-179.6-70.2156-164.7179.60109.9E69 C73E69-K71 VanDerWaalsContact C-N 3.35Å; E69-K71 PolarHBondContact O-N 2.71Å; E69-K71 WeakPolarHBondContact OE2-CE 3.49Å; E69-K71 IonicContact OE2-NZ 2.77Å; E69-K71 PolarHBondContact OE2-NZ 2.86Å; K71-C73 PolarHBondContact O-N 2.99Å; K71-C73 VanDerWaalsContact O-N 3.08Å
72S40.4Very low42.2Very low118 Ų118135.3 Ų135.383%0.82578%0.776SS**  trans-79.590.9-170.346.80000113.3V70 K74V70-S72 PolarHBondContact O-N 3Å; S72-K74 PolarHBondContact O-N 3.27Å
73C36.3Very low42.6Very low119 Ų119133.6 Ų133.680%0.80477%0.773SS**  trans-7293.9171.3-72.10000111.7K71 V75K71-C73 PolarHBondContact O-N 2.99Å; K71-C73 VanDerWaalsContact O-N 3.08Å; C73-V75 PolarHBondContact O-N 3.26Å
74K48.2Very low42.5Very low183 Ų183136.6 Ų136.680%0.79678%0.781SS**  trans-70.2107172.6-179.9-179.3178178.70110.9S72S72-K74 PolarHBondContact O-N 3.27Å
75V37.3Very low42.5Very low133 Ų133138.7 Ų138.781%0.80678%0.784SS**  trans-107128.8168.8177.40000109C73C73-V75 PolarHBondContact O-N 3.26Å
76N36.3Very low42.6Very low129 Ų129140.4 Ų140.469%0.6979%0.794SS**  trans-80.6145.7-178.8-63.3-32.2000111
77A42.2Very low42.6Very low110 Ų110135.6 Ų135.691%0.90979%0.788SS**  trans-72.7134.8175.500000112
78A40.1Very low42.5Very low97 Ų97135.4 Ų135.480%0.80280%0.795SS**  trans-141.4142.8165.500000108.9
79N38.9Very low42.8Very low160 Ų160136.4 Ų136.486%0.85680%0.801SS**  trans-77.4149.7-173.6-63.5-82.6000112.5
80L42.7Very low43Very low168 Ų168137.9 Ų137.988%0.8881%0.812SS**  -176.4152.6122.2-94.7170.2000110.2
81P46.3Very low43.1Very low123 Ų123140.7 Ų140.780%0.79981%0.809SS**  trans-101145.7-174.737.2-32.4000114.3
82G33.3Very low42.8Very low74 Ų74139.7 Ų139.776%0.76381%0.81SS**  trans-176.8129.3171.500000112.4
83P50.5Low43.5Very low111 Ų111141 Ų14172%0.72180%0.803SS**  trans-107.9155.8-173.739.4-34.1000114.7
84K45.7Very low44.1Very low206 Ų206138.6 Ų138.690%0.89679%0.788SS**  trans75110.8168.4-50.8160.1-175.4173.70116.7
85D40.4Very low43.9Very low162 Ų162138.2 Ų138.287%0.86679%0.789SS**  trans-149.5160.6131.2-159.88000110.6
86L53.1Low44Very low171 Ų171137.9 Ų137.990%0.89579%0.791SS**  trans-102.897.5-177.1-74164000110.6
87G40.2Very low44.7Very low63 Ų63141.6 Ų141.665%0.64980%0.801SS**  trans-131.759.4-169.700000115.9V89G87-V89 VanDerWaalsContact C-N 3.3Å; G87-V89 PolarHBondContact O-N 3.44Å
88L46.3Very low44.6Very low182 Ų182141.1 Ų141.195%0.95380%0.797SS**  trans-73.579.6171.3-74176.6000111.6L90L88-L90 PolarHBondContact O-N 3.28Å; L88-L90 VanDerWaalsContact O-N 3.15Å
89V47.6Very low45.1Very low130 Ų130145.8 Ų145.879%0.78880%0.799SS**  trans-85.775.1173.9-172.60000110.3G87 R91G87-V89 VanDerWaalsContact C-N 3.3Å; G87-V89 PolarHBondContact O-N 3.44Å; V89-R91 HydrophobicContact CG1-CB 4.38Å
90L44.3Very low45.5Very low169 Ų169147.9 Ų147.989%0.88580%0.801SS**  trans-103.193.4163.8-170.666.6000109.1L88L88-L90 PolarHBondContact O-N 3.28Å; L88-L90 VanDerWaalsContact O-N 3.15Å
91R46.5Very low45.5Very low194 Ų194149.3 Ų149.373%0.73280%0.8SS**  trans-107.557.9-167-143-81-168.1158.36.9111.9V89V89-R91 HydrophobicContact CG1-CB 4.38Å
92D41.8Very low45.7Very low132 Ų132149.2 Ų149.271%0.70680%0.8SS**  trans-80.3151166.8-174.634.6000111.2S94D92-S94 PolarHBondContact OD2-OG 2.9Å
93Q55.3Low45.7Very low144 Ų144153.1 Ų153.167%0.67380%0.803SS**  trans-133.755-165.7-161.3173.810.400113.2H95Q93-H95 PolarHBondContact O-N 3.28Å
94S50Low45.1Very low70 Ų70152.9 Ų152.949%0.4980%0.804SS.*  trans-99.955.2-172.641.10000115D92 C96D92-S94 PolarHBondContact OD2-OG 2.9Å; S94-C96 PolarHBondContact O-N 3.48Å
95H43.4Very low45.1Very low175 Ų175149.1 Ų149.181%0.8180%0.801SS**  trans28.248.814756.9-98.2000122Q93 K97Q93-H95 PolarHBondContact O-N 3.28Å; H95-K97 PolarHBondContact O-N 2.99Å
96C39.8Very low45Very low126 Ų126147.7 Ų147.785%0.85180%0.798SS**PPolyproline II helixtrans-63.9125.9170.3-73.20000113.5S94 A98S94-C96 PolarHBondContact O-N 3.48Å; C96-A98 PolarHBondContact O-N 3.32Å
97K51.1Low44.3Very low206 Ų206149.4 Ų149.490%0.89680%0.798SS**PPolyproline II helixtrans-73123.7173.7-72.5-76.5-174.1175.70110.9H95 K99H95-K97 PolarHBondContact O-N 2.99Å; K97-K99 PolarHBondContact O-N 2.92Å
98A38.3Very low44Very low101 Ų101151 Ų15184%0.83581%0.805SS**PPolyproline II helixtrans-69.6127.8-175.900000113.8C96C96-A98 PolarHBondContact O-N 3.32Å
99K50.6Low43.4Very low194 Ų194150 Ų15084%0.84380%0.796SS**PPolyproline II helixtrans-103.7136.1151.6-80.9-175.2174.6178.90108.6K97K97-K99 PolarHBondContact O-N 2.92Å
100K47.6Very low42.8Very low205 Ų205152.1 Ų152.189%0.89179%0.794SS**PPolyproline II helixtrans-81.3133.5-177.8-62.7-179.8178.8-179.80110.7
101F43.3Very low42.2Very low197 Ų197148.2 Ų148.286%0.86479%0.786SS**  trans-107.4131.1158.4-72.5-82.4000109
102P50.8Low41.4Very low121 Ų121144.5 Ų144.579%0.78679%0.786SS**  trans-87.4121.6175.532.2-30.9000112.3
103N33.4Very low41.1Very low157 Ų157145.3 Ų145.384%0.8479%0.788SS**  trans5.1134.1159-56.9-17.5000120.5
104S37.7Very low40Very low105 Ų105143.8 Ų143.873%0.73479%0.793SS**PPolyproline II helixtrans-75.3150.7152.354.60000112
105P46.3Very low39.3Very low128 Ų128149.5 Ų149.583%0.83181%0.812SS**PPolyproline II helixtrans-98.5134163.934.2-28.7000111.7
106V38.4Very low38.7Very low132 Ų132145 Ų14580%0.881%0.806SS**PPolyproline II helixtrans-99.2134.2171.5172.20000110.1
107K36.9Very low38.4Very low206 Ų206148.9 Ų148.990%0.89681%0.808SS**  trans164.5149.2154.1-95.4161.3-176-176.30109.7
108A35Very low37.4Very low98 Ų98144.1 Ų144.181%0.8180%0.801SS**  cis-154.1175.8-7.700000111.2
109E33.5Very low37.3Very low161 Ų161148.1 Ų148.175%0.75280%0.802SS**  trans-92.8141.2-172-174.5-155.112800113.6
110K33.7Very low36.4Very low173 Ų173149 Ų14975%0.75281%0.806SS**  trans142.9137.1131.4-79.6-163.9175.1-173.90117.3
111A32.6Very low35.8Very low87 Ų87143.1 Ų143.172%0.71980%0.796SS**  trans64.9156.5139.600000120.9
112T29.4Very low35.2Very low117 Ų117140.3 Ų140.372%0.71880%0.795SS**  cis-167.2133.8-22.5-90.10000110.2
113I34.8Very low34.2Very low149 Ų149139.4 Ų139.476%0.76479%0.792SS**  trans26.8124.3151.9-49.6165.5000120.8
114S33.9Very low34.2Very low111 Ų111138.4 Ų138.478%0.77679%0.785SS**  164.4117.8129.5-73.20000110.2
115Q34.2Very low34Very low190 Ų190141.2 Ų141.289%0.88879%0.787SS**  77.8124.861.9-99.4-155.58.200118.7
116A31.8Very low33.4Very low82 Ų82139.3 Ų139.368%0.67878%0.782SS**  trans94.3127.4139.900000123.1
117K32.3Very low33.2Very low207 Ų207142.2 Ų142.290%0.978%0.784SS**  trans67.9157.8149.8-73.1179.7176.4179.60118
118S30.8Very low33Very low106 Ų106136.6 Ų136.674%0.74178%0.776SS**  cis-145.7160.4-0-1690000111.2
119E37.1Very low32.9Very low184 Ų184139.5 Ų139.586%0.8677%0.773SS**  trans-65.6149.3161.2-53.4155.6101.100111.9
120K30.3Very low32.9Very low212 Ų212140.5 Ų140.592%0.92278%0.775SS**  trans-164.1146.2131.9-156167.5-176.9177.50111.6
121A36.5Very low32.8Very low83 Ų83138 Ų13869%0.68678%0.779SS**  trans-111.5178.7-179.400000113.6
122T28.9Very low33.3Very low137 Ų137139.4 Ų139.484%0.8478%0.781SS**  trans91.2113161.1-46.30000118.3
123S29.7Very low33.5Very low103 Ų103143.5 Ų143.572%0.7279%0.788SS**  -172.3125.3128.2-1620000113.8
124L33.9Very low33.7Very low135 Ų135141.4 Ų141.471%0.70779%0.787SS**  trans22.8147.8131.1-46.6178.1000120.4
125Q34.3Very low34.2Very low164 Ų164141.2 Ų141.277%0.76678%0.783SS**  cis-165.2158.75.6-128.7169.34.800113.7
126A33Very low33.9Very low88 Ų88138.8 Ų138.873%0.72778%0.777SS**  trans17.7149.9147.500000122.1
127K33.8Very low34Very low194 Ų194139.3 Ų139.384%0.84378%0.775SS**  -171.3164.258.1-135.5-168.2-173.5-167.80115.6
128A33Very low33.8Very low88 Ų88135.8 Ų135.873%0.72777%0.771SS**  trans74.7149.8152.900000120.7
129E33.3Very low33.9Very low159 Ų159140.1 Ų140.174%0.74378%0.776SS**  cis-169.3135.5-31.5-165.2-178.6111.100111.2
130K33.4Very low33.7Very low182 Ų182135.4 Ų135.479%0.79177%0.769SS**  trans155.4106.7132.9-85.9170.8-178.8177.70114.7
131S31.9Very low33.8Very low119 Ų119133.6 Ų133.683%0.83276%0.763SS**  trans34.6160.5133.4-91.20000124.5
132P44.1Very low33.6Very low118 Ų118138.7 Ų138.777%0.76677%0.77SS**  cis-130.5174.61.937.8-19.9000116.6
133K33.4Very low33.9Very low202 Ų202136.6 Ų136.688%0.87877%0.767SS**  trans-75.1172.2158.9-94.7166.6173.2166.90109.9
134S37.4Very low33.8Very low106 Ų106137.1 Ų137.174%0.74177%0.771SS**  cis-174.5-168.645.869.50000108.8
135P44.8Very low33.6Very low107 Ų107135.1 Ų135.170%0.69577%0.768SS**  cis-119.5-164.8-13.641.5-24.5000110.2
136N28.4Very low33.6Very low139 Ų139137.9 Ų137.974%0.74377%0.773SS**  cis-152.3166.613-142.5-14.7000113.3
137S33Very low33.5Very low93 Ų93143.3 Ų143.365%0.6578%0.783SS**  trans6.9145158.156.80000121.6
138V29.9Very low33.6Very low132 Ų132142.1 Ų142.180%0.878%0.782SS**  cis142.8137-5.1147.10000108.1
139K32.9Very low33.5Very low198 Ų198147.4 Ų147.486%0.86179%0.789SS**  trans74.5125.1162.8-98.4-171.2173.4-173.10122.4
140A33Very low33.6Very low85 Ų85144.2 Ų144.270%0.70278%0.784SS**  90.8153.6122.400000121.7
141E31.4Very low33.6Very low173 Ų173142.2 Ų142.281%0.80878%0.777SS**  trans-28.9149.9172.6-55.2163.471.100115.4
142K31.7Very low33.6Very low190 Ų190144 Ų14483%0.82677%0.771SS**  cis-166.716439.9-162.5167.6-179.3169.20110.5
143A34.8Very low33.5Very low93 Ų93144.8 Ų144.877%0.76977%0.773SS**  trans-77.2137.5170.300000112.3
144S28.8Very low34Very low115 Ų115140.5 Ų140.580%0.80477%0.766SS**  178.6137.1127.6-163.80000114
145S30.4Very low33.9Very low92 Ų92141.5 Ų141.564%0.64377%0.772SS**  trans39.2117.1141.8-169.50000123.1
146Y33.2Very low33.4Very low223 Ų223141.7 Ų141.788%0.87578%0.776SS**  trans23.2125.5134.5-58.7-83.9000121.8
147Q31Very low34Very low201 Ų201140.8 Ų140.894%0.93978%0.778SS**  trans-148167.4133.4-83.5-144.9-26.500111.5
148M35.2Very low34Very low169 Ų169141.2 Ų141.283%0.83379%0.787SS**  trans-127153.1-176-81.1-169.2171.200112.5
149K32.6Very low34.2Very low200 Ų200144.4 Ų144.487%0.8779%0.794SS**  trans65.1148.8168.1-64.2177.2176.8-177.80114.9
150S34.5Very low34.5Very low91 Ų91139.5 Ų139.564%0.63679%0.79SS**  cis-161.1162.6-4.9-123.50000106.5
151E32.9Very low34.5Very low140 Ų140142.8 Ų142.865%0.65479%0.791SS**  cis-153.7-130.23-145.5160.2105.100107.4
152K32.7Very low34.7Very low158 Ų158142.8 Ų142.869%0.68779%0.788SS**  cis-163.5152.8-5-138.1163.2-147.5-400111.1
153V41.1Very low35.1Very low134 Ų134136.5 Ų136.581%0.81278%0.777SS**  trans61.5158.8167.9-113.70000117
154P44.6Very low35.2Very low112 Ų112138.9 Ų138.973%0.72779%0.785SS**  -132.3163.6-94.143.6-29.4000117
155S34.4Very low36.3Very low126 Ų126138.4 Ų138.488%0.88178%0.781SS**  trans-172.6163.6137.625.70000111.2
156S35Very low37.1Very low112 Ų112141.8 Ų141.878%0.78379%0.792SS**  trans-154.5177.6-177.662.80000109
157P41Very low37.5Very low119 Ų119139.6 Ų139.677%0.77379%0.794SS**  cis-123.3166.6-17.538.7-25.6000113.3
158A32Very low38Very low103 Ų103138 Ų13885%0.85179%0.791SS**  trans-155.9119.1154.800000109.4
159E34.8Very low38.7Very low199 Ų199139.1 Ų139.193%0.9379%0.791SS**  trans-89.3166.8176.4-73.1-172.289.800112.2
160A39.2Very low39.1Very low95 Ų95136.2 Ų136.279%0.78579%0.785SS**  trans-87.6131.6-171.700000113.6
161E32.9Very low39.6Very low154 Ų154140.9 Ų140.972%0.7280%0.799SS**  trans-107.8114.9151.5-74.8-126.79900108.1
162K35.7Very low40.1Very low172 Ų172146 Ų14675%0.74881%0.812SS**  70105.881.1-71.9-166.8-149.9134.50113.1
163G40.4Very low40.8Very low58 Ų58146.9 Ų146.960%0.59882%0.819SS**  trans-74.3159.5159.800000111.7S165G163-S165 PolarHBondContact O-N 3.46Å
164P37.7Very low41Very low144 Ų144150.3 Ų150.394%0.93582%0.823SS**SBendtrans-79.575.3-173.633-36.6000112.5
165S51Low41.2Very low104 Ų104152 Ų15273%0.72783%0.831SS**  trans-117.469.5174.165.80000112.2G163G163-S165 PolarHBondContact O-N 3.46Å
166L46.9Very low41.8Very low164 Ų164154.9 Ų154.986%0.85983%0.831SS**  trans-172.983162.3-108.2167.6000112.4
167L41.6Very low42.2Very low177 Ų177157.7 Ų157.793%0.92784%0.836SS**  trans-154.351.4165.1-141.1172000112.2
168L42.7Very low42.1Very low167 Ų167161.8 Ų161.887%0.87485%0.845SS**SBendtrans-143.735.7-176.5-139.8169.9000112.2
169K49Very low42.8Very low193 Ų193165.9 Ų165.984%0.83985%0.847SS**  trans-15658-178.1-157.8-175.8176.7179.60115.2
170D40.6Very low43.3Very low139 Ų139164.8 Ų164.874%0.74385%0.845SS**  trans-156.180.2151.4-155.73.2000115.1
171M44.8Very low43.4Very low189 Ų189163.3 Ų163.393%0.93184%0.839SS**SBendtrans-151.823.1163.3-80.4-138.384.200113.4
172R44.4Very low43.8Very low246 Ų246166.1 Ų166.193%0.92885%0.849SS**  trans-13135.6-178.7-70.7-147.1-64.5-159.3-1.4115.2
173Q47.9Very low44.1Very low177 Ų177167.6 Ų167.683%0.82786%0.855SS**  trans-132.663.3174.3-69-166.6-17.800113
174K43.4Very low44.7Very low207 Ų207172.2 Ų172.290%0.987%0.865SS**SBendtrans-138.733.4170.7-70.9-164.5176.6-179.30114.3
175T49.8Very low45Very low146 Ų146171 Ų17190%0.89686%0.857SS**SBendtrans-142.331.4178.3-23.60000114.4
176E46Very low44.6Very low187 Ų187170.8 Ų170.887%0.87486%0.855SS**  trans-140.374.9178.7-164.8-177.9171.100112.9
177L45.3Very low44.2Very low171 Ų171168.1 Ų168.190%0.89585%0.85SS**  trans-16382.5148.6-148.977.4000113
178Q37.9Very low44.3Very low205 Ų205169.9 Ų169.996%0.95885%0.851SS**  trans-161.970.6149.8-85.7-134.460.400110.2
179Q47.3Very low44.1Very low190 Ų190167.8 Ų167.889%0.88885%0.845SS**  trans-132.993.9160.6-166.3-174.1111.200109.8
180I45.3Very low43.6Very low176 Ų176164.3 Ų164.390%0.90385%0.845SS**  trans-147.1135.5161.4-139.971.3000109.7
181G40.8Very low43.7Very low63 Ų63164.3 Ų164.365%0.64985%0.85SS**SBendtrans80.563.5158.400000119.1
182K41.8Very low42.9Very low213 Ų213162.9 Ų162.993%0.92685%0.846SS**  -165154118.4-96.6140.3-163172.80112
183K40.6Very low43.1Very low203 Ų203159.5 Ų159.588%0.88384%0.838SS**  trans-81.7140.8-165.7-60.9-178178.6-176.40112.5
184I54.8Low42.6Very low156 Ų156157 Ų15780%0.884%0.835SS**  trans-88.3127.5156.2-49.2173000107.6
185P42.6Very low42.2Very low119 Ų119153.9 Ų153.977%0.77383%0.828SS**  trans-87.6101.2157.630.4-22.4000108.7
186S44Very low42Very low99 Ų99154.6 Ų154.669%0.69282%0.824SS**  trans-72.5128.5169.455.30000110.2
187S37.5Very low41.5Very low107 Ų107153.8 Ų153.875%0.74882%0.821SS**  trans-153.2117.7167.8-73.30000110
188F44.3Very low41.1Very low214 Ų214150.5 Ų150.594%0.93982%0.818SS**  trans-90.8110.8169.6-73.9-93.3000108.9
189T38Very low41.1Very low123 Ų123147.2 Ų147.276%0.75581%0.812SS**  trans-133.5102.8162.450.80000106.1
190S39.4Very low40.3Very low120 Ų120142 Ų14284%0.83981%0.809SS**  72.1128.682.3-166.90000111.7
191V42.1Very low39.7Very low139 Ų139137.3 Ų137.384%0.84280%0.804SS**  trans-72.3134.9-174.7-179.70000110.5
192D28.7Very low39.2Very low159 Ų159143 Ų14385%0.8581%0.814SS**  trans-144.1175.2137.7-150.3-7.6000110.8
193K46.7Very low39.1Very low175 Ų175142.8 Ų142.876%0.76181%0.813SS**  trans-132.6156.9-154.8-162.5-175.3-179.3-178.30110.3
194V38.4Very low38.8Very low126 Ų126139.2 Ų139.276%0.76481%0.812SS**  trans70.3107171.5-1690000115.7
195N34.5Very low38Very low141 Ų141136.2 Ų136.275%0.75481%0.81SS**  -144.5147.7113.7-163.319.4000110.6
196I46.6Very low37.6Very low160 Ų160139.3 Ų139.382%0.82182%0.82SS**  trans-126106.4171.2-62.3177000107.2
197E34.4Very low37.1Very low171 Ų171142 Ų14280%0.79982%0.821SS**  trans-152.2122.8158.3-163.5158.9-151.600110.5
198A38.3Very low36.9Very low101 Ų101142.9 Ų142.984%0.83582%0.817SS**  trans-155.168.9179.800000109.9
199V37.9Very low36.3Very low137 Ų137138.4 Ų138.483%0.8381%0.813SS**  trans-133.9126.3179.9175.40000109.6
200G29Very low36.5Very low80 Ų80138.5 Ų138.583%0.82582%0.816SS**  trans86.9120.2174.300000114.6
201G33.5Very low36.6Very low78 Ų78144.1 Ų144.180%0.80482%0.818SS**  cis155.1103.5-14.600000113.7
202E31.2Very low36.3Very low183 Ų183142.6 Ų142.686%0.85581%0.814SS**  trans-133.4136164.8-89.7-173.7105.900111
203K39.7Very low36.7Very low207 Ų207142.9 Ų142.990%0.981%0.81SS**  trans-143.3103.9170.3-75.5-173.1178.4-179.40108.6
204C34Very low36.3Very low128 Ų128144.2 Ų144.287%0.86582%0.816SS**  trans-92.4111.5171.2-72.20000109.9
205A36.5Very low36.5Very low93 Ų93145.9 Ų145.977%0.76982%0.816SS**  trans-109.3133.2168.200000109.1
206L35.6Very low36.7Very low184 Ų184148.4 Ų148.496%0.96382%0.823SS**  trans-149.6143.5158.5-148.972.1000110.7
207Q33.1Very low36.2Very low155 Ų155146.4 Ų146.472%0.72482%0.818SS**  trans-139.9149.1-174.1-164.8-154.817.600108.6
208N32.6Very low36.6Very low126 Ų126144.2 Ų144.267%0.67482%0.82SS**  trans73.5128.4168.1-40.7-63.6000118.2
209S31.7Very low36.9Very low120 Ų120144.4 Ų144.484%0.83981%0.812SS**  trans-170.6161.9131-90.70000111.6
210P43Very low36.8Very low126 Ų126144 Ų14482%0.81881%0.805SS**  trans-128-176.2-135.143.9-31.7000118.4
211R40.7Very low37.9Very low237 Ų237146.2 Ų146.289%0.89480%0.797SS**  trans-57138.2177.5170.2-167.3-173.6-177.54.1117
212S37.2Very low38.4Very low108 Ų108149.4 Ų149.476%0.75580%0.801SS**  trans157.7162148.6-900000110.6
213Q36.5Very low39.1Very low165 Ų165144.5 Ų144.577%0.77180%0.8SS**  cis-171.6131.6-13.2160.8-169.94.700108.5
214K38.2Very low39.4Very low203 Ų203141.1 Ų141.188%0.88379%0.792SS**  trans-166.8157.6137.8-130.6179.1178.8-178.80112.7
215Q43.2Very low40.4Very low160 Ų160140.6 Ų140.675%0.74879%0.79SS**  trans-112.6155.9176.1-58.9149.2-79.700109.6
216Q38.4Very low41.2Very low194 Ų194143.4 Ų143.491%0.90779%0.792SS**  trans-148.2143.4143.6-171160.2-15.500109.8
217T36.4Very low42.4Very low119 Ų119141.1 Ų141.173%0.7378%0.78SS**  trans-117.3143.2-176.6-49.20000109.4
218C42.9Very low44Very low124 Ų124139.4 Ų139.484%0.83879%0.786SS**  trans-155.6147.7146.8-156.80000110.2
219T43.8Very low45Very low106 Ų106137.3 Ų137.365%0.6579%0.786SS**  trans-97.2159.5168.851.70000109.7
220D35.9Very low45.7Very low129 Ų129137.7 Ų137.769%0.6979%0.788SS**  -175.6118.5116.8-102.423.5000114.1
221N51Low45.5Very low125 Ų125134.6 Ų134.667%0.66878%0.78SS**  56.7135.3125.9-51.4-29.3000123.5
222T45.7Very low45.9Very low145 Ų145130.7 Ų130.789%0.8978%0.775SS**  trans75.5121.7149.5-49.70000118.8
223G45.1Very low46.5Very low80 Ų80133 Ų13383%0.82577%0.774SS**  trans-178.150.8178.400000112.1
224D46.2Very low46.9Very low136 Ų136132 Ų13273%0.72777%0.774SS**  trans-74.9137.9-179.4173.534.6000112.1
225S54.8Low47.7Very low117 Ų117128.3 Ų128.382%0.81877%0.768SS**  trans-179115.8160.5-780000109.7
226D53.8Low48.4Very low153 Ų153125.6 Ų125.682%0.81877%0.767SS**  trans-75.2161.8-173.1-87.8-46.9000116.3
227D60.8Low49.2Very low135 Ų135124.1 Ų124.172%0.72277%0.765SS**  trans-39144.7155.9176.131.9000114.9A229D227-A229 PolarHBondContact OD1-N 3.45Å
228S65.4Low49.6Very low120 Ų120125.5 Ų125.584%0.83977%0.768SS**  trans-158.7101.8154.7-80.60000110.2
229A54.6Low50.4Low81 Ų81127.2 Ų127.267%0.66977%0.768SS**  trans-78.4171.5171.300000113.1D227D227-A229 PolarHBondContact OD1-N 3.45Å
230S46.6Very low50.9Low128 Ų128127.5 Ų127.590%0.89577%0.774SS**  trans74.2144.8-179.979.60000116.2
231G38Very low51.9Low62 Ų62130.8 Ų130.864%0.63978%0.782SS**  cis170.9-164.6-7.900000114.5
232I48.5Very low51.9Low154 Ų154132.9 Ų132.979%0.7979%0.79SS**  trans65.8124.2165.371.7169.5000120.4
233E51.6Low52.3Low157 Ų157135.4 Ų135.473%0.73479%0.789SS**  trans27119.1150.265.3-137.3148.700123
234D44.4Very low52.7Low144 Ų144138 Ų13877%0.7778%0.784SS**  trans-124.4136.1132.2-175.316.4000108
235V55.6Low52.9Low126 Ų126138 Ų13876%0.76478%0.783SS**  trans-129.597-176.5-179.30000108.2
236S57.4Low52.8Low103 Ų103141.9 Ų141.972%0.7279%0.789SS**  trans-124.952.3-174.952.30000113.5
237D54.1Low53Low163 Ų163139 Ų13987%0.87278%0.78SS**  trans-84.8104.9156.7-100.5-46.3000109.5
238D45.3Very low52.8Low148 Ų148138.9 Ų138.979%0.79178%0.78SS**  trans-150.1150.8145.8-158.13.9000111.7
239L60.5Low52.2Low160 Ų160141.9 Ų141.984%0.83878%0.778SS**  trans-90.9113.2-167.2-63.289000112.3
240S53.2Low52Low111 Ų111146.2 Ų146.278%0.77678%0.784SS**  trans-12593.7159.4730000113.2
241K57.3Low52.3Low199 Ų199146 Ų14687%0.86577%0.773SS**  trans26.2116.4141.1-56.7171.3-174.5171.40116.9
242M50.2Low53Low168 Ų168147 Ų14783%0.82877%0.771SS**  -155.3145.7111.7-111.6156.965.500112.4N244M242-N244 PolarHBondContact O-N 3.3Å
243K55.2Low53.3Low199 Ų199143.5 Ų143.587%0.86576%0.759SS**  trans-60.2129.9163.6-71.3-91.3-170.3169.60107.7
244N53.2Low53.3Low135 Ų135141.6 Ų141.672%0.72275%0.751SS**  trans-133.6152158.2-75.2-78.3000107.4M242M242-N244 PolarHBondContact O-N 3.3Å
245D51.4Low53.9Low134 Ų134141.3 Ų141.372%0.71775%0.746SS**  trans-76.3159.2-147.2-70.1-94.7000117.3S247D245-S247 WeakPolarHBondContact CB-OG 2.91Å; D245-S247 PolarHBondContact O-N 2.94Å
246E52.8Low54.1Low200 Ų200140.4 Ų140.494%0.93574%0.737SS**SBendtrans-67.565.3163.9-174.690.5-131.300109.3
247S56.7Low54Low91 Ų91144.6 Ų144.664%0.63674%0.738SS**  trans-145.572.5-166.569.40000115.1D245D245-S247 WeakPolarHBondContact CB-OG 2.91Å; D245-S247 PolarHBondContact O-N 2.94Å
248N56.5Low54.1Low133 Ų133140.9 Ų140.971%0.71172%0.718SS**  trans-163.411146.562.911.3000115.5E250N248-E250 VanDerWaalsContact C-N 3.3Å; N248-E250 PolarHBondContact O-N 3.22Å; N248-E250 VanDerWaalsContact O-N 3.16Å
249K53.4Low54.5Low184 Ų184142 Ų14280%0.872%0.719SS**THydrogen-bonded Turntrans-9038.7-172.1-154.5-156.5171.7-173.30114.9
250E50.9Low54.4Low172 Ų172140.4 Ų140.480%0.80471%0.711SS**THydrogen-bonded Turntrans-129-3.4-178.1-65.3-169.2134.900114.4N248N248-E250 VanDerWaalsContact C-N 3.3Å; N248-E250 PolarHBondContact O-N 3.22Å; N248-E250 VanDerWaalsContact O-N 3.16Å
251N53.1Low54.7Low123 Ų123136.8 Ų136.866%0.65869%0.688SS**SBendtrans-101.9-7.4-174.664.913.1000115.5
252S51.4Low55.1Low84 Ų84134.1 Ų134.159%0.58769%0.689SS**SBendtrans-102.9-0.9-172.778.70000115.1
253S55.1Low56.5Low79 Ų79132.2 Ų132.255%0.55269%0.686SS**SBendtrans-118.9-8.3-175.854.30000114.6
254E52.7Low57.6Low118 Ų118126.2 Ų126.255%0.55166%0.663SS**SBendtrans-82.3-39.9178.8-166.3177158.300111.7Y257 L258E254-Y257 PolarHBondContact O-N 3.48Å; E254-L258 PolarHBondContact O-N 3.48Å
255M56.2Low59.1Low137 Ų137124.4 Ų124.468%0.67565%0.653SS**Hα-helixtrans-61.5-48.6-179.6-67.5-64.5-158.100112.8Y257 L258 E259M255-Y257 PolarHBondContact O-N 3.23Å; M255-Y257 VanDerWaalsContact O-N 3.14Å; M255-L258 PolarHBondContact O-N 2.93Å; M255-E259 PolarHBondContact O-N 3.46Å; M255-E259 VanDerWaalsContact O-N 3.16Å
256D58.9Low60.6Low107 Ų107121.7 Ų121.757%0.57264%0.636SS**Hα-helixtrans-60.5-24.6179.3-64.25.3000112.9N260D256-N260 PolarHBondContact O-ND2 3.27Å
257Y55.2Low62.1Low192 Ų192117 Ų11775%0.75363%0.625SS**Hα-helixtrans-82.3-29.2177.6-136-85.7000112.3E254 M255 A261E254-Y257 PolarHBondContact O-N 3.48Å; M255-Y257 PolarHBondContact O-N 3.23Å; M255-Y257 VanDerWaalsContact O-N 3.14Å; Y257-A261 PolarHBondContact O-N 3.43Å
258L56.5Low63.6Low85 Ų85116.2 Ų116.245%0.44563%0.625SS.*Hα-helixtrans-78.4-34.8177.4-69.2171.6000112.7E254 M255 N260 A261E254-L258 PolarHBondContact O-N 3.48Å; M255-L258 PolarHBondContact O-N 2.93Å; L258-N260 PolarHBondContact O-N 2.88Å; L258-A261 PolarHBondContact O-N 3.16Å
259E54.3Low65Low171 Ų171112 Ų11280%0.79960%0.601SS**Hα-helixtrans-62.3-30.1174.8-173167.8-151.100112.1M255M255-E259 PolarHBondContact O-N 3.46Å; M255-E259 VanDerWaalsContact O-N 3.16Å
260N58.7Low66.8Low126 Ų126106 Ų10667%0.67458%0.581SS**THydrogen-bonded Turntrans-96.10.4178.7-67.6-65000114.2D256 L258 T262D256-N260 PolarHBondContact O-ND2 3.27Å; L258-N260 PolarHBondContact O-N 2.88Å; N260-T262 PolarHBondContact O-N 2.91Å
261A58.9Low68.8Low36 Ų36102.4 Ų102.430%0.29857%0.572SS.*  trans-79.783.4-177.900000111.6Y257 L258 V263 I264Y257-A261 PolarHBondContact O-N 3.43Å; L258-A261 PolarHBondContact O-N 3.16Å; A261-V263 PolarHBondContact O-N 2.96Å; A261-I264 HydrophobicContact CB-CD1 3.65Å
262T65.8Low70.6Confident143 Ų143102.9 Ų102.988%0.87757%0.57SS**SBendtrans-61.3-10.4-179.256.50000115.1N260N260-T262 PolarHBondContact O-N 2.91Å
263V79Confident72.6Confident128 Ų128102.2 Ų102.278%0.77656%0.558SS**SBendtrans-132.6112.4172-177.90000108.8A261A261-V263 PolarHBondContact O-N 2.96Å
264I79.7Confident74.3Confident73 Ų73106.6 Ų106.637%0.37456%0.563SS.*  trans-101.7129.4174.9-56.6-64.3000109.5A261 E266 L269A261-I264 HydrophobicContact CB-CD1 3.65Å; I264-E266 PolarHBondContact O-N 3.11Å; I264-L269 HydrophobicContact CG2-CD1 4.08Å; I264-L269 HydrophobicContact CG2-CD2 4Å; I264-L269 HydrophobicContact CG2-CG 4.23Å
265D84.2Confident76.3Confident97 Ų97107 Ų10752%0.51957%0.567SS.*  trans-81.1104.4166.8-177-4.4000110.2S267 A268D265-S267 VanDerWaalsContact CG-OG 3.3Å; D265-S267 PolarHBondContact O-N 3.28Å; D265-S267 VanDerWaalsContact O-N 3.13Å; D265-S267 WeakPolarHBondContact OD1-CB 3.36Å; D265-S267 PolarHBondContact OD1-N 3.38Å; D265-S267 PolarHBondContact OD1-OG 3.35Å; D265-S267 PolarHBondContact OD2-OG 2.86Å; D265-A268 HydrophobicContact CB-CB 4.21Å; D265-A268 PolarHBondContact O-N 3.23Å
266E82.5Confident78.2Confident76 Ų76102.1 Ų102.136%0.35555%0.553SS.*THydrogen-bonded Turntrans-62.1-16.3178.9-62.9176-10100114I264 R291 K294I264-E266 PolarHBondContact O-N 3.11Å; E266-R291 IonicContact OE1-NH2 2.71Å; E266-R291 PolarHBondContact OE1-NH2 2.92Å; E266-R291 IonicContact OE2-CZ 2.67Å; E266-R291 VanDerWaalsContact OE2-CZ 3.26Å; E266-R291 IonicContact OE2-NH1 3.36Å; E266-R291 PolarHBondContact OE2-NH1 3.06Å; E266-R291 IonicContact OE2-NH2 3.06Å; E266-R291 PolarHBondContact OE2-NH2 2.92Å; E266-K294 IonicContact OE1-NZ 3.65Å; E266-K294 PolarHBondContact OE1-NZ 3.43Å
267S83.9Confident79.7Confident101 Ų101101.1 Ų101.171%0.70655%0.547SS*.THydrogen-bonded Turntrans-89.1-20.4179.674.70000113.9D265D265-S267 VanDerWaalsContact CG-OG 3.3Å; D265-S267 PolarHBondContact O-N 3.28Å; D265-S267 VanDerWaalsContact O-N 3.13Å; D265-S267 WeakPolarHBondContact OD1-CB 3.36Å; D265-S267 PolarHBondContact OD1-N 3.38Å; D265-S267 PolarHBondContact OD1-OG 3.35Å; D265-S267 PolarHBondContact OD2-OG 2.86Å
268A89.1Confident81.5Confident76 Ų7696.6 Ų96.663%0.62853%0.531SS*.THydrogen-bonded Turntrans-89.2-11.8177.600000113.7D265D265-A268 HydrophobicContact CB-CB 4.21Å; D265-A268 PolarHBondContact O-N 3.23Å
269L85.2Confident83.4Confident43 Ų4399 Ų9923%0.22554%0.54CS..  trans-68.5137-178.5-66174000112.7I264 Q273 L277I264-L269 HydrophobicContact CG2-CD1 4.08Å; I264-L269 HydrophobicContact CG2-CD2 4Å; I264-L269 HydrophobicContact CG2-CG 4.23Å; L269-Q273 HydrophobicContact CD2-CB 4.2Å; L269-L277 HydrophobicContact CD1-CD1 3.67Å; L269-L277 HydrophobicContact CD2-CD1 3.96Å; L269-L277 HydrophobicContact CG-CD1 4.48Å
270T91.6Very high85.2Confident60 Ų6093 Ų9337%0.36852%0.52SS..  trans-68.4158.3167.684.50000111.2E272 Q273 R274T270-E272 WeakPolarHBondContact CB-OE2 3.44Å; T270-E272 PolarHBondContact O-N 3.36Å; T270-E272 PolarHBondContact OG1-N 3.04Å; T270-E272 PolarHBondContact OG1-OE2 2.97Å; T270-Q273 PolarHBondContact O-N 3.48Å; T270-Q273 PolarHBondContact OG1-N 2.86Å; T270-R274 WeakPolarHBondContact O-CB 3.4Å; T270-R274 PolarHBondContact O-N 3.09Å
271P91.9Very high86.7Confident96 Ų9689.2 Ų89.262%0.62350%0.498SS*.Hα-helixtrans-54.3-37.1175-26.535.8000113.4R274 L275P271-R274 PolarHBondContact O-N 2.97Å; P271-L275 WeakPolarHBondContact O-CB 3.36Å; P271-L275 PolarHBondContact O-N 3.22Å
272E91.8Very high88.4Confident132 Ų13293.5 Ų93.562%0.61751%0.512SS*.Hα-helixtrans-70.4-45.6-179.6-58.967.8-146.300111.3T270 R274 L275 G276T270-E272 WeakPolarHBondContact CB-OE2 3.44Å; T270-E272 PolarHBondContact O-N 3.36Å; T270-E272 PolarHBondContact OG1-N 3.04Å; T270-E272 PolarHBondContact OG1-OE2 2.97Å; E272-R274 VanDerWaalsContact C-N 3.33Å; E272-R274 PolarHBondContact O-N 2.71Å; E272-L275 PolarHBondContact O-N 2.89Å; E272-G276 PolarHBondContact O-N 3.08Å
273Q93.4Very high89.8Confident71 Ų7194.9 Ų94.933%0.33250%0.501SS..Hα-helixtrans-60.1-44.4173.3-71.2171.3-24.900110.8L269 T270 L275 G276 L277L269-Q273 HydrophobicContact CD2-CB 4.2Å; T270-Q273 PolarHBondContact O-N 3.48Å; T270-Q273 PolarHBondContact OG1-N 2.86Å; Q273-L275 VanDerWaalsContact C-N 3.34Å; Q273-L275 PolarHBondContact O-N 2.94Å; Q273-G276 PolarHBondContact O-N 3.38Å; Q273-L277 WeakPolarHBondContact O-CB 3.42Å; Q273-L277 VanDerWaalsContact O-CG 3.3Å; Q273-L277 WeakPolarHBondContact O-CG 3.33Å; Q273-L277 PolarHBondContact O-N 3.03Å
274R91.6Very high90.5Very high171 Ų17192.3 Ų92.365%0.64548%0.483SS*.Hα-helixtrans-63.9-37.2178.2-171.9175.9-179.3179.21.6112.6T270 P271 E272 K278T270-R274 WeakPolarHBondContact O-CB 3.4Å; T270-R274 PolarHBondContact O-N 3.09Å; P271-R274 PolarHBondContact O-N 2.97Å; E272-R274 VanDerWaalsContact C-N 3.33Å; E272-R274 PolarHBondContact O-N 2.71Å; R274-K278 PolarHBondContact O-N 2.85Å; R274-K278 VanDerWaalsContact O-N 3.09Å
275L94.8Very high91.2Very high125 Ų12592.3 Ų92.365%0.65448%0.481SS*.Hα-helixtrans-67-47.217418062.7000111.5P271 E272 Q273 L277 K278 Q279P271-L275 WeakPolarHBondContact O-CB 3.36Å; P271-L275 PolarHBondContact O-N 3.22Å; E272-L275 PolarHBondContact O-N 2.89Å; Q273-L275 VanDerWaalsContact C-N 3.34Å; Q273-L275 PolarHBondContact O-N 2.94Å; L275-L277 VanDerWaalsContact C-N 3.35Å; L275-L277 PolarHBondContact O-N 3.02Å; L275-K278 PolarHBondContact O-N 2.77Å; L275-Q279 PolarHBondContact O-N 3.3Å
276G94.5Very high91.7Very high36 Ų3694.2 Ų94.237%0.37148%0.481SS..Hα-helixtrans-60-42.6176.800000112.7E272 Q273 Q279 A280E272-G276 PolarHBondContact O-N 3.08Å; Q273-G276 PolarHBondContact O-N 3.38Å; G276-Q279 PolarHBondContact O-N 3.16Å; G276-A280 PolarHBondContact O-N 3.02Å
277L91.6Very high92.3Very high86 Ų8694.8 Ų94.845%0.4549%0.487SS..Hα-helixtrans-63.2-40.9174.5-74.1166.4000112.4L269 Q273 L275 Q279 A280 E281L269-L277 HydrophobicContact CD1-CD1 3.67Å; L269-L277 HydrophobicContact CD2-CD1 3.96Å; L269-L277 HydrophobicContact CG-CD1 4.48Å; Q273-L277 WeakPolarHBondContact O-CB 3.42Å; Q273-L277 VanDerWaalsContact O-CG 3.3Å; Q273-L277 WeakPolarHBondContact O-CG 3.33Å; Q273-L277 PolarHBondContact O-N 3.03Å; L275-L277 VanDerWaalsContact C-N 3.35Å; L275-L277 PolarHBondContact O-N 3.02Å; L277-Q279 VanDerWaalsContact C-N 3.33Å; L277-Q279 PolarHBondContact O-N 3.21Å; L277-A280 PolarHBondContact O-N 3.27Å; L277-E281 WeakPolarHBondContact O-CB 3.5Å; L277-E281 PolarHBondContact O-N 3.33Å
278K93.3Very high92.7Very high97 Ų9797.3 Ų97.342%0.42249%0.487SS..Hα-helixtrans-66.7-33.8175.6-174.563-119.4172.30112.2R274 L275 E281 E282 E285R274-K278 PolarHBondContact O-N 2.85Å; R274-K278 VanDerWaalsContact O-N 3.09Å; L275-K278 PolarHBondContact O-N 2.77Å; K278-E281 VanDerWaalsContact CD-OE2 3.28Å; K278-E281 WeakPolarHBondContact CD-OE2 3.49Å; K278-E281 VanDerWaalsContact CE-OE2 3.28Å; K278-E281 WeakPolarHBondContact CE-OE2 3.41Å; K278-E281 IonicContact NZ-OE1 3.62Å; K278-E281 IonicContact NZ-OE2 2.65Å; K278-E281 PolarHBondContact NZ-OE2 2.91Å; K278-E281 PolarHBondContact O-N 3.14Å; K278-E282 PolarHBondContact O-N 3.24Å; K278-E285 IonicContact NZ-OE1 2.77Å; K278-E285 PolarHBondContact NZ-OE1 3.06Å
279Q94.8Very high92.8Very high136 Ų13698.4 Ų98.464%0.63648%0.481SS*.Hα-helixtrans-70.7-36.7173.1-169.2-17915.700112.2L275 G276 L277 R283L275-Q279 PolarHBondContact O-N 3.3Å; G276-Q279 PolarHBondContact O-N 3.16Å; L277-Q279 VanDerWaalsContact C-N 3.33Å; L277-Q279 PolarHBondContact O-N 3.21Å; Q279-R283 WeakPolarHBondContact O-CB 3.28Å; Q279-R283 PolarHBondContact O-N 2.85Å
280A92.1Very high93Very high45 Ų45102.5 Ų102.537%0.37250%0.497SS..Hα-helixtrans-66.8-37.6172.700000111.8G276 L277 R283 L284G276-A280 PolarHBondContact O-N 3.02Å; L277-A280 PolarHBondContact O-N 3.27Å; A280-R283 WeakPolarHBondContact O-CB 3.28Å; A280-R283 PolarHBondContact O-N 3.22Å; A280-L284 WeakPolarHBondContact O-CG 3.4Å; A280-L284 PolarHBondContact O-N 3.32Å
281E91.8Very high92.9Very high46 Ų46106.6 Ų106.622%0.21551%0.506CS..Hα-helixtrans-61.7-50.5173.1-166.6-179-169.700111.2L277 K278 R283 L284 E285 R291L277-E281 WeakPolarHBondContact O-CB 3.5Å; L277-E281 PolarHBondContact O-N 3.33Å; K278-E281 VanDerWaalsContact CD-OE2 3.28Å; K278-E281 WeakPolarHBondContact CD-OE2 3.49Å; K278-E281 VanDerWaalsContact CE-OE2 3.28Å; K278-E281 WeakPolarHBondContact CE-OE2 3.41Å; K278-E281 IonicContact NZ-OE1 3.62Å; K278-E281 IonicContact NZ-OE2 2.65Å; K278-E281 PolarHBondContact NZ-OE2 2.91Å; K278-E281 PolarHBondContact O-N 3.14Å; E281-R283 PolarHBondContact O-N 3.25Å; E281-L284 CarbonylContact O-C 3.59Å; E281-L284 WeakPolarHBondContact O-CA 3.42Å; E281-L284 WeakPolarHBondContact O-CB 3.3Å; E281-L284 PolarHBondContact O-N 2.99Å; E281-E285 WeakPolarHBondContact O-CG 3.43Å; E281-E285 PolarHBondContact O-N 3Å; E281-R291 HydrophobicContact CG-CB 4.37Å; E281-R291 WeakPolarHBondContact OE1-CB 3.25Å; E281-R291 VanDerWaalsContact OE1-CD 3.25Å; E281-R291 WeakPolarHBondContact OE1-CD 3.35Å
282E92.8Very high92.6Very high126 Ų126106.7 Ų106.759%0.58950%0.501SS*.Hα-helixtrans-57.1-38.2173.5-171.2-161.8143.400111.9K278 L284K278-E282 PolarHBondContact O-N 3.24Å; E282-L284 VanDerWaalsContact C-N 3.31Å; E282-L284 PolarHBondContact O-N 3.13Å
283R96.1Very high92.3Very high171 Ų171106.2 Ų106.265%0.64550%0.499SS*.Hα-helixtrans-61.9-40.2175-171-174.8174.381.97.2111.2Q279 A280 E281 R286Q279-R283 WeakPolarHBondContact O-CB 3.28Å; Q279-R283 PolarHBondContact O-N 2.85Å; A280-R283 WeakPolarHBondContact O-CB 3.28Å; A280-R283 PolarHBondContact O-N 3.22Å; E281-R283 PolarHBondContact O-N 3.25Å; R283-R286 VanDerWaalsContact CG-NH2 3.34Å; R283-R286 PolarHBondContact O-NH2 2.66Å
284L94.7Very high91.8Very high75 Ų75109.8 Ų109.839%0.39351%0.513SS..Hα-helixtrans-78.1-32.9-178.7-75165.6000113.5A280 E281 E282 R286 D287 H288 I289A280-L284 WeakPolarHBondContact O-CG 3.4Å; A280-L284 PolarHBondContact O-N 3.32Å; E281-L284 CarbonylContact O-C 3.59Å; E281-L284 WeakPolarHBondContact O-CA 3.42Å; E281-L284 WeakPolarHBondContact O-CB 3.3Å; E281-L284 PolarHBondContact O-N 2.99Å; E282-L284 VanDerWaalsContact C-N 3.31Å; E282-L284 PolarHBondContact O-N 3.13Å; L284-R286 VanDerWaalsContact C-N 3.25Å; L284-R286 PolarHBondContact O-N 3.37Å; L284-D287 CarbonylContact O-C 3.37Å; L284-D287 WeakPolarHBondContact O-CA 3.43Å; L284-D287 PolarHBondContact O-N 3.26Å; L284-H288 PolarHBondContact O-N 3.37Å; L284-I289 CarbonylContact C-O 3.26Å; L284-I289 VanDerWaalsContact C-O 3.26Å; L284-I289 HydrophobicContact CB-CB 4.07Å; L284-I289 HydrophobicContact CB-CG2 4.25Å; L284-I289 HydrophobicContact CD2-CB 4.19Å; L284-I289 HydrophobicContact CD2-CD1 3.9Å; L284-I289 HydrophobicContact CD2-CG2 4.21Å; L284-I289 PolarHBondContact O-N 2.96Å
285E93Very high91Very high72 Ų72106.1 Ų106.134%0.33651%0.509SS..Hα-helixtrans-57.3-38.5177.5-74.8178.3-147.800111.8K278 E281 D287 H288 I289 F290K278-E285 IonicContact NZ-OE1 2.77Å; K278-E285 PolarHBondContact NZ-OE1 3.06Å; E281-E285 WeakPolarHBondContact O-CG 3.43Å; E281-E285 PolarHBondContact O-N 3Å; E285-D287 PolarHBondContact O-N 3.08Å; E285-H288 PolarHBondContact O-N 2.86Å; E285-H288 VanDerWaalsContact O-N 3.11Å; E285-I289 PolarHBondContact N-O 2.77Å; E285-F290 HydrophobicContact CB-CD1 4.34Å; E285-F290 HydrophobicContact CB-CE1 4Å; E285-F290 HydrophobicContact CG-CD1 3.87Å; E285-F290 HydrophobicContact CG-CE1 3.99Å
286R94.7Very high90.1Very high137 Ų137107.2 Ų107.252%0.51751%0.506SS..THydrogen-bonded Turntrans-62.3-30.2174.1-65.5-173.1-59.280.317.5113.7R283 L284 H288R283-R286 VanDerWaalsContact CG-NH2 3.34Å; R283-R286 PolarHBondContact O-NH2 2.66Å; L284-R286 VanDerWaalsContact C-N 3.25Å; L284-R286 PolarHBondContact O-N 3.37Å; R286-H288 VanDerWaalsContact C-N 3.25Å
287D95.9Very high89.2Confident89 Ų89112.2 Ų112.248%0.47652%0.515SS..THydrogen-bonded Turntrans-9716.9-179.2-51.8-31.8000110L284 E285 I289L284-D287 CarbonylContact O-C 3.37Å; L284-D287 WeakPolarHBondContact O-CA 3.43Å; L284-D287 PolarHBondContact O-N 3.26Å; E285-D287 PolarHBondContact O-N 3.08Å; D287-I289 VanDerWaalsContact C-N 3.3Å; D287-I289 PolarHBondContact O-N 3.49Å
288H92.2Very high88.3Confident154 Ų154112 Ų11271%0.71352%0.517SS*.THydrogen-bonded Turntrans63.421.7178.1-54.7-36.7000116.1L284 E285 R286 F290L284-H288 PolarHBondContact O-N 3.37Å; E285-H288 PolarHBondContact O-N 2.86Å; E285-H288 VanDerWaalsContact O-N 3.11Å; R286-H288 VanDerWaalsContact C-N 3.25Å; H288-F290 HydrophobicContact CB-CE2 4.18Å; H288-F290 VanDerWaalsContact O-CD2 3.31Å; H288-F290 WeakPolarHBondContact O-CD2 3.31Å; H288-F290 WeakPolarHBondContact O-CE2 3Å
289I91.7Very high87.4Confident98 Ų98111.3 Ų111.350%0.50352%0.52SS..  trans-99.5113.9174.6-64.2166.7000108.2L284 E285 D287L284-I289 CarbonylContact C-O 3.26Å; L284-I289 VanDerWaalsContact C-O 3.26Å; L284-I289 HydrophobicContact CB-CB 4.07Å; L284-I289 HydrophobicContact CB-CG2 4.25Å; L284-I289 HydrophobicContact CD2-CB 4.19Å; L284-I289 HydrophobicContact CD2-CD1 3.9Å; L284-I289 HydrophobicContact CD2-CG2 4.21Å; L284-I289 PolarHBondContact O-N 2.96Å; E285-I289 PolarHBondContact N-O 2.77Å; D287-I289 VanDerWaalsContact C-N 3.3Å; D287-I289 PolarHBondContact O-N 3.49Å
290F89.7Confident86.6Confident129 Ų129109.6 Ų109.657%0.56652%0.515SS*.  trans-115145.1-173.4-62-81.6000112.1E285 H288 L292E285-F290 HydrophobicContact CB-CD1 4.34Å; E285-F290 HydrophobicContact CB-CE1 4Å; E285-F290 HydrophobicContact CG-CD1 3.87Å; E285-F290 HydrophobicContact CG-CE1 3.99Å; H288-F290 HydrophobicContact CB-CE2 4.18Å; H288-F290 VanDerWaalsContact O-CD2 3.31Å; H288-F290 WeakPolarHBondContact O-CD2 3.31Å; H288-F290 WeakPolarHBondContact O-CE2 3Å; F290-L292 PolarHBondContact O-N 2.84Å
291R88.5Confident85.8Confident147 Ų147110.3 Ų110.356%0.55552%0.515SS*.  trans-71.9115.4171.4-171175.2-170.8-144.7-11.5110.3E266 E281E266-R291 IonicContact OE1-NH2 2.71Å; E266-R291 PolarHBondContact OE1-NH2 2.92Å; E266-R291 IonicContact OE2-CZ 2.67Å; E266-R291 VanDerWaalsContact OE2-CZ 3.26Å; E266-R291 IonicContact OE2-NH1 3.36Å; E266-R291 PolarHBondContact OE2-NH1 3.06Å; E266-R291 IonicContact OE2-NH2 3.06Å; E266-R291 PolarHBondContact OE2-NH2 2.92Å; E281-R291 HydrophobicContact CG-CB 4.37Å; E281-R291 WeakPolarHBondContact OE1-CB 3.25Å; E281-R291 VanDerWaalsContact OE1-CD 3.25Å; E281-R291 WeakPolarHBondContact OE1-CD 3.35Å
292L86.4Confident84.9Confident97 Ų97112.2 Ų112.251%0.50853%0.525SS..  trans-72.5128.5173.7-68.2176.5000110.9F290 Y297 L300F290-L292 PolarHBondContact O-N 2.84Å; L292-Y297 HydrophobicContact CD1-CD2 4.28Å; L292-L300 HydrophobicContact CD1-CD1 4.03Å; L292-L300 HydrophobicContact CD2-CD1 4.3Å
293E85.3Confident84Confident123 Ų123114.7 Ų114.758%0.57553%0.529SS*.  trans-67.7141.6166.7165.6174.4-13700110.3V295 Y296 Y297E293-V295 HydrophobicContact CG-CB 4.46Å; E293-V295 PolarHBondContact O-N 2.87Å; E293-Y296 HydrophobicContact CB-CD2 4.03Å; E293-Y296 HydrophobicContact CG-CD2 4.29Å; E293-Y296 PolarHBondContact O-N 3.39Å; E293-Y296 WeakPolarHBondContact OE2-CE2 3.35Å; E293-Y297 PolarHBondContact O-N 3.43Å; E293-Y297 VanDerWaalsContact O-N 3.08Å
294K82.1Confident83Confident145 Ų145108.1 Ų108.163%0.6352%0.515SS*.Hα-helixtrans-55.3-31.5-171.3-69.1168.9-176.6160.20113.4E266 V298E266-K294 IonicContact OE1-NZ 3.65Å; E266-K294 PolarHBondContact OE1-NZ 3.43Å; K294-V298 WeakPolarHBondContact O-CG2 3.33Å; K294-V298 PolarHBondContact O-N 3.07Å
295V75.2Confident81.9Confident94 Ų94111 Ų11157%0.5753%0.527SS*.Hα-helixtrans-65.7-47.9175.2-177.10000111.6E293 Y297 V298 V299E293-V295 HydrophobicContact CG-CB 4.46Å; E293-V295 PolarHBondContact O-N 2.87Å; V295-Y297 VanDerWaalsContact C-N 3.34Å; V295-Y297 PolarHBondContact O-N 3.26Å; V295-V298 PolarHBondContact O-N 3.02Å; V295-V299 WeakPolarHBondContact O-CG2 3.38Å; V295-V299 PolarHBondContact O-N 3.18Å
296Y74.8Confident80.8Confident148 Ų148114.1 Ų114.158%0.5854%0.543SS*.Hα-helixtrans-67.9-34.9179.1-68.9-88.6000112E293 V299 L300E293-Y296 HydrophobicContact CB-CD2 4.03Å; E293-Y296 HydrophobicContact CG-CD2 4.29Å; E293-Y296 PolarHBondContact O-N 3.39Å; E293-Y296 WeakPolarHBondContact OE2-CE2 3.35Å; Y296-V299 PolarHBondContact O-N 2.9Å; Y296-L300 WeakPolarHBondContact O-CB 3.43Å; Y296-L300 WeakPolarHBondContact O-CG 3.42Å; Y296-L300 PolarHBondContact O-N 2.94Å
297Y77Confident79.4Confident142 Ų142111.7 Ų111.756%0.55755%0.546SS*.Hα-helixtrans-60-47.8173.3-176.6-95.8000111.7L292 E293 V295 V299 L300 V301L292-Y297 HydrophobicContact CD1-CD2 4.28Å; E293-Y297 PolarHBondContact O-N 3.43Å; E293-Y297 VanDerWaalsContact O-N 3.08Å; V295-Y297 VanDerWaalsContact C-N 3.34Å; V295-Y297 PolarHBondContact O-N 3.26Å; Y297-V299 PolarHBondContact O-N 3.45Å; Y297-L300 PolarHBondContact O-N 3.15Å; Y297-V301 HydrophobicContact CD1-CG2 4.18Å; Y297-V301 HydrophobicContact CE1-CG2 3.75Å; Y297-V301 HydrophobicContact CE2-CG2 4.35Å; Y297-V301 WeakPolarHBondContact O-CG2 3.3Å; Y297-V301 PolarHBondContact O-N 3.49Å
298V72.3Confident78.1Confident81 Ų81113.8 Ų113.849%0.49156%0.562SS.*Hα-helixtrans-61.9-42176.9171.20000111.6K294 V295 V301 I302K294-V298 WeakPolarHBondContact O-CG2 3.33Å; K294-V298 PolarHBondContact O-N 3.07Å; V295-V298 PolarHBondContact O-N 3.02Å; V298-V301 PolarHBondContact O-N 3.48Å; V298-I302 HydrophobicContact CG1-CD1 3.71Å; V298-I302 HydrophobicContact CG1-CG1 4.48Å; V298-I302 VanDerWaalsContact O-CG1 3.3Å; V298-I302 WeakPolarHBondContact O-CG1 3.41Å; V298-I302 PolarHBondContact O-N 3.35Å
299V74.5Confident76.2Confident82 Ų82114.1 Ų114.150%0.49758%0.582SS.*Hα-helixtrans-64.1-41.1176172.60000111.8V295 Y296 Y297 W303V295-V299 WeakPolarHBondContact O-CG2 3.38Å; V295-V299 PolarHBondContact O-N 3.18Å; Y296-V299 PolarHBondContact O-N 2.9Å; Y297-V299 PolarHBondContact O-N 3.45Å; V299-W303 WeakPolarHBondContact O-CB 3.22Å; V299-W303 PolarHBondContact O-N 2.93Å
300L77Confident75.4Confident100 Ų100115 Ų11552%0.52459%0.586SS.*Hα-helixtrans-65.3-40.5176.7-84.1161000112.6L292 Y296 Y297 G304L292-L300 HydrophobicContact CD1-CD1 4.03Å; L292-L300 HydrophobicContact CD2-CD1 4.3Å; Y296-L300 WeakPolarHBondContact O-CB 3.43Å; Y296-L300 WeakPolarHBondContact O-CG 3.42Å; Y296-L300 PolarHBondContact O-N 2.94Å; Y297-L300 PolarHBondContact O-N 3.15Å; L300-G304 PolarHBondContact O-N 3.13Å
301V76.2Confident74.7Confident61 Ų61114.2 Ų114.237%0.3759%0.587SS.*Hα-helixtrans-65.2-49.2176.3171.20000110.9Y297 V298 W303 G304 E305Y297-V301 HydrophobicContact CD1-CG2 4.18Å; Y297-V301 HydrophobicContact CE1-CG2 3.75Å; Y297-V301 HydrophobicContact CE2-CG2 4.35Å; Y297-V301 WeakPolarHBondContact O-CG2 3.3Å; Y297-V301 PolarHBondContact O-N 3.49Å; V298-V301 PolarHBondContact O-N 3.48Å; V301-W303 PolarHBondContact O-N 3.35Å; V301-G304 WeakPolarHBondContact O-CA 3.47Å; V301-G304 PolarHBondContact O-N 2.89Å; V301-G304 VanDerWaalsContact O-N 3.13Å; V301-E305 PolarHBondContact O-N 3.37Å
302I72.9Confident73.9Confident86 Ų86112.4 Ų112.444%0.44159%0.588SS.*Hα-helixtrans-62-43.5178.6-67.2168.5000110.9V298 G304 E305 M306V298-I302 HydrophobicContact CG1-CD1 3.71Å; V298-I302 HydrophobicContact CG1-CG1 4.48Å; V298-I302 VanDerWaalsContact O-CG1 3.3Å; V298-I302 WeakPolarHBondContact O-CG1 3.41Å; V298-I302 PolarHBondContact O-N 3.35Å; I302-G304 VanDerWaalsContact C-N 3.29Å; I302-G304 PolarHBondContact O-N 3.44Å; I302-E305 PolarHBondContact O-N 3.35Å; I302-M306 HydrophobicContact CG2-CG 4.37Å; I302-M306 HydrophobicContact CG2-SD 3.94Å; I302-M306 WeakPolarHBondContact O-CB 3.43Å; I302-M306 VanDerWaalsContact O-CG 3.28Å; I302-M306 WeakPolarHBondContact O-CG 3.28Å; I302-M306 PolarHBondContact O-N 3.34Å
303W73.6Confident73.1Confident177 Ų177113.3 Ų113.367%0.6759%0.593SS**Hα-helixtrans-63.7-36.4175.6-169-74000111.8V299 V301 M306 C307V299-W303 WeakPolarHBondContact O-CB 3.22Å; V299-W303 PolarHBondContact O-N 2.93Å; V301-W303 PolarHBondContact O-N 3.35Å; W303-M306 PolarHBondContact O-N 3.49Å; W303-C307 PolarHBondContact NE1-SG 2.95Å; W303-C307 VanDerWaalsContact NE1-SG 3.35Å; W303-C307 WeakPolarHBondContact O-CB 3.28Å; W303-C307 PolarHBondContact O-N 3.44Å
304G76.2Confident72.4Confident34 Ų34112.7 Ų112.735%0.35159%0.594SS.*Hα-helixtrans-59.8-50.8173.300000112.6L300 V301 I302 M306 C307 V308L300-G304 PolarHBondContact O-N 3.13Å; V301-G304 WeakPolarHBondContact O-CA 3.47Å; V301-G304 PolarHBondContact O-N 2.89Å; V301-G304 VanDerWaalsContact O-N 3.13Å; I302-G304 VanDerWaalsContact C-N 3.29Å; I302-G304 PolarHBondContact O-N 3.44Å; G304-M306 PolarHBondContact O-N 2.98Å; G304-C307 PolarHBondContact O-N 3.45Å; G304-V308 VanDerWaalsContact O-CG2 3.28Å; G304-V308 WeakPolarHBondContact O-CG2 3.38Å; G304-V308 PolarHBondContact O-N 2.95Å
305E70.3Confident71.7Confident135 Ų135110.5 Ų110.563%0.63159%0.592SS**Hα-helixtrans-63-40.8176.4-67.2-172.5138.400112.1V301 I302 C307 V308 S309V301-E305 PolarHBondContact O-N 3.37Å; I302-E305 PolarHBondContact O-N 3.35Å; E305-C307 VanDerWaalsContact C-N 3.32Å; E305-C307 PolarHBondContact O-N 2.99Å; E305-V308 PolarHBondContact O-N 3.36Å; E305-S309 PolarHBondContact O-N 3.27Å; E305-S309 PolarHBondContact O-OG 3.41Å
306M71Confident71.5Confident137 Ų137111.7 Ų111.768%0.67559%0.593SS**Hα-helixtrans-69.2-22.9178.8-73.3-175.369.500114.4I302 W303 G304I302-M306 HydrophobicContact CG2-CG 4.37Å; I302-M306 HydrophobicContact CG2-SD 3.94Å; I302-M306 WeakPolarHBondContact O-CB 3.43Å; I302-M306 VanDerWaalsContact O-CG 3.28Å; I302-M306 WeakPolarHBondContact O-CG 3.28Å; I302-M306 PolarHBondContact O-N 3.34Å; W303-M306 PolarHBondContact O-N 3.49Å; G304-M306 PolarHBondContact O-N 2.98Å
307C65.7Low71.2Confident87 Ų87108.9 Ų108.959%0.58859%0.594SS**THydrogen-bonded Turntrans-94-1174.7-780000114.1W303 G304 E305W303-C307 PolarHBondContact NE1-SG 2.95Å; W303-C307 VanDerWaalsContact NE1-SG 3.35Å; W303-C307 WeakPolarHBondContact O-CB 3.28Å; W303-C307 PolarHBondContact O-N 3.44Å; G304-C307 PolarHBondContact O-N 3.45Å; E305-C307 VanDerWaalsContact C-N 3.32Å; E305-C307 PolarHBondContact O-N 2.99Å
308V68.6Low70.8Confident132 Ų132106.2 Ų106.280%0.860%0.597SS**THydrogen-bonded Turntrans-112.1-3.2179.71740000112.1G304 E305G304-V308 VanDerWaalsContact O-CG2 3.28Å; G304-V308 WeakPolarHBondContact O-CG2 3.38Å; G304-V308 PolarHBondContact O-N 2.95Å; E305-V308 PolarHBondContact O-N 3.36Å
309S50.9Low70.6Confident162 Ų162108.5 Ų108.5100%1.13361%0.607SS**  trans-102.50177.3-54.10000112.9E305E305-S309 PolarHBondContact O-N 3.27Å; E305-S309 PolarHBondContact O-OG 3.41Å

Retrieved 309 of 309 residues in 39.9 ms (Link to these results)