A0A2K5L3J4_CERAT Loading...

SRY-box transcription factor 3

AlphaFold DB , UniProt , Accession A0A2K5L3J4, Species CERAT (Cercocebus atys, Sooty mangabey), Gene SOX3, Length 446 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M34.3Very low40Very low248 Ų248148.2 Ų148.2100%1.22285%0.853SS**  0120.40-81.7157.7140.200109
2R46.1Very low39.3Very low231 Ų231156.4 Ų156.487%0.87286%0.86SS**  trans-68.3160.8155.6-94.9-172.4179.7-145.41.9108.8
3P54.6Low39.2Very low120 Ų120153.2 Ų153.278%0.77986%0.855SS**  -141.3153.273.120.54.9000113.5
4A44.3Very low39.9Very low81 Ų81149.9 Ų149.967%0.66984%0.843SS**  80.4121.656.700000115.1
5R40.2Very low39.5Very low236 Ų236156.6 Ų156.689%0.89185%0.85SS**  trans165155.6151.4-99.3178.3173.3167.3-0.1109.3
6D40Very low39.5Very low154 Ų154154.8 Ų154.882%0.82485%0.845SS**  cis-167.5151.7-47.1-109.9-39.3000104.9
7N42.2Very low40Very low161 Ų161152.9 Ų152.986%0.86184%0.843SS**  trans-86.9144.7179.7-157.13.3000109.7
8A35.5Very low39.7Very low100 Ų100149.6 Ų149.683%0.82684%0.839SS**  trans-151.7135.2167.700000113.8
9S38.4Very low39.6Very low134 Ų134149.7 Ų149.794%0.93784%0.838SS**  trans-95.7162.6-173.9-178.20000112.2
10G31.6Very low39.4Very low68 Ų68150.6 Ų150.670%0.70184%0.839SS**  trans160.799.5164.300000112
11A33Very low39.3Very low97 Ų97147 Ų14780%0.80283%0.829SS**  93.3122.372.600000114.4
12R31.9Very low39.5Very low247 Ų247146.8 Ų146.893%0.93281%0.814SS**  trans78.3116.9147.1-80.6179.6162.8-134.7-1.9122.1
13S36.8Very low38.9Very low114 Ų114141.1 Ų141.180%0.79781%0.81SS**  trans-41174.5142.2-115.80000114.2
14P50.2Low38.3Very low107 Ų107142.8 Ų142.870%0.69581%0.811SS**  cis-143.4-179.821.837.4-15.7000115.4
15R32.8Very low38Very low251 Ų251146.2 Ų146.295%0.94782%0.817SS**  trans-173119140.1-102.8167.1-158.7-160.55.8112
16V40.8Very low38Very low127 Ų127142.3 Ų142.377%0.7781%0.812SS**  trans-82.4156.8161.4-145.40000108
17P46.9Very low37.8Very low123 Ų123139.9 Ų139.980%0.79981%0.807SS**  -141.4139.18923.5-1.3000112.5
18A34.3Very low37.7Very low94 Ų94140.3 Ų140.378%0.77781%0.809SS**  87.3120.776.400000113.6
19D37.5Very low38.5Very low152 Ų152141.2 Ų141.281%0.81381%0.806SS**  trans-77144-178.6-165.3-6.7000111.4
20L36.1Very low38.2Very low166 Ų166144.3 Ų144.387%0.86980%0.803SS**  trans-16193.5151.7-15669000112.8
21A37.4Very low39.2Very low75 Ų75146.4 Ų146.462%0.6280%0.804SS**  trans20.7129132.900000120.6
22R38.1Very low40.3Very low244 Ų244146.9 Ų146.992%0.92180%0.8SS**  -164.4114.1124.7-117.1176.8169.3179.6-3.2113.3
23S35.1Very low40.4Very low113 Ų113141.8 Ų141.879%0.7979%0.791SS**  trans-81.6139.5163.4-58.60000111.5
24I41.7Very low40.4Very low154 Ų154142.5 Ų142.579%0.7980%0.796SS**  trans-151.997.9150.4-56.9-175000105.2
25L37.6Very low39.8Very low153 Ų153144.8 Ų144.880%0.80180%0.801SS**  70.1133.471.2-102.5171.4000117
26I39.2Very low40.1Very low154 Ų154137.7 Ų137.779%0.7980%0.796SS**  trans101.2124.4161.7-57.7158000114.1
27S35.6Very low39.9Very low103 Ų103140.3 Ų140.372%0.7280%0.8SS**  cis-163.7143.711.5-132.90000110.5
28L41.3Very low39.7Very low171 Ų171145.3 Ų145.390%0.89580%0.803SS**  trans-173.5136.3135.4-95.8161.9000109
29P51.6Low40.1Very low118 Ų118146 Ų14677%0.76680%0.8SS**  trans-96.4156.6-165.336.4-33.6000116.7
30F31.8Very low40.7Very low200 Ų200144.3 Ų144.388%0.87780%0.796SS**  trans-48.8-175173.1-89-116.1000117.4
31P52.5Low40.6Very low111 Ų111141.8 Ų141.872%0.72179%0.793SS**  cis-135.3-172.4-20.818.87.4000115.9
32P57.3Low40.3Very low108 Ų108143.6 Ų143.670%0.70180%0.801SS**  trans-105.7-177-177.241.3-31.4000116.2
33D33.3Very low40.3Very low140 Ų140136.3 Ų136.375%0.74979%0.793SS**  trans114.5121.8158.1-71.8-25.3000119
34S37Very low40.8Very low129 Ų129137.2 Ų137.290%0.90280%0.796SS**  trans-153.3116.4137-84.30000111.5
35L37Very low40.5Very low155 Ų155135.7 Ų135.781%0.81279%0.794SS**  trans-65.2154.3174.5-64.8154.8000112.4
36A39.2Very low40.3Very low102 Ų102136 Ų13684%0.84379%0.791SS**  -171.4108.5125.100000112.2
37H37.9Very low40.1Very low181 Ų181134.3 Ų134.384%0.83879%0.794SS**  trans-61.3143.3164-105.8-87.5000112.4
38R41.4Very low40.3Very low228 Ų228137.5 Ų137.586%0.8680%0.797SS**  trans-95.4137.4161.6-172.3-175.2-179.7-167.21.3109.1
39P42.9Very low39.9Very low110 Ų110132.9 Ų132.971%0.71479%0.791SS**  -149.6-158.1123.241.7-21.6000112.6
40P51.4Low39.3Very low115 Ų115134.8 Ų134.875%0.74779%0.794SS**  -128.5171-100.537.7-17000117.5
41S32.6Very low39.3Very low113 Ų113134.7 Ų134.779%0.7979%0.793SS**  trans46.1122.4148.8-159.80000122.9
42S32.7Very low38.4Very low113 Ų113135.2 Ų135.279%0.7979%0.794SS**  165.1139113.948.70000115.1
43A37.1Very low37.6Very low91 Ų91136.6 Ų136.675%0.75280%0.801SS**  trans44.4149.3154.400000122.6
44P45.3Very low37.6Very low132 Ų132134.5 Ų134.586%0.85780%0.803SS**  -144.9163.892.936.7-19.4000116.8
45T36.4Very low37.8Very low122 Ų122132.6 Ų132.675%0.74880%0.795SS**  trans-88.1136.1-179.6-62.10000112.5
46E32.9Very low38.4Very low159 Ų159131.1 Ų131.174%0.74380%0.795SS**  trans33.8128.6138.6-139.7-179.2153.700122.3
47S34.7Very low38.5Very low120 Ų120130.7 Ų130.784%0.83979%0.791SS**  -165.1146.2125.9550000112.2
48Q39.1Very low39Very low170 Ų170128.6 Ų128.679%0.79479%0.794SS**  trans-86.2156.4-173-57-163.1-3.600113.7
49G33.8Very low38.9Very low74 Ų74121.5 Ų121.576%0.76379%0.791SS**  trans-164.1112.1165.700000112
50L39.4Very low38.8Very low158 Ų158120.9 Ų120.983%0.82780%0.796SS**  trans-58.5150.1175.2-70.594.1000112.7
51F31.5Very low38.5Very low197 Ų197121 Ų12186%0.86480%0.796SS**  -171.4118129.6-109.9-82.7000112.3
52T34.2Very low38.9Very low122 Ų122120.4 Ų120.475%0.74879%0.792SS**  trans61.6123136.9-63.30000124.1
53V39.4Very low39.8Very low137 Ų137120.6 Ų120.683%0.8379%0.791SS**  trans-36.9135.7154.6148.70000115.6
54A34.2Very low40.3Very low97 Ų97122.4 Ų122.480%0.80280%0.795SS**  trans-160.4121.1141.500000110.7
55A40.2Very low39.9Very low89 Ų89120.6 Ų120.674%0.73679%0.791SS**  trans-68.3164.1168.100000111.2
56P49.2Very low40.3Very low123 Ų123121.6 Ų121.680%0.79980%0.797SS**  -145.4136.195.634.9-18000115.5
57A42.8Very low40.7Very low94 Ų94120.7 Ų120.778%0.77780%0.797SS**  trans52.4152.3130.100000122.7
58P48.6Very low41.1Very low136 Ų136119 Ų11988%0.88379%0.79SS**  trans-111.4156.2-141.539.4-29000114.7
59G39.3Very low41.3Very low79 Ų79118.9 Ų118.981%0.81479%0.789SS**  trans-168.2107.116900000111.2
60A40.9Very low41.6Very low97 Ų97123.2 Ų123.280%0.80279%0.794SS**  trans-62.9-178.4-172.900000115.3
61P44.6Very low41.7Very low118 Ų118123.2 Ų123.277%0.76679%0.794SS**  cis-128.2165.9-12.725.5-3.1000115.2
62S40Very low42.5Very low101 Ų101119.4 Ų119.471%0.70679%0.789SS**PPolyproline II helixtrans-49.4147.5171.449.10000117.3
63P52.6Low43Very low116 Ų116117.9 Ų117.975%0.75379%0.789SS**PPolyproline II helixtrans-79.1136.1156.432.1-30.5000110.3A65P63-A65 PolarHBondContact O-N 2.91Å
64P46.2Very low43.5Very low130 Ų130117.1 Ų117.184%0.84479%0.787SS**PPolyproline II helixtrans-69.6130.9173.827.6-31.1000110.3
65A38.3Very low43.9Very low94 Ų94116.7 Ų116.778%0.77778%0.783SS**PPolyproline II helixtrans-58144.3-177.200000113.5P63 L67P63-A65 PolarHBondContact O-N 2.91Å; A65-L67 PolarHBondContact O-N 3.17Å
66T44.9Very low44Very low142 Ų142121.3 Ų121.387%0.87179%0.792SS**  trans-45.9123.1156.7-39.70000110.7
67L40.3Very low43.9Very low141 Ų141126 Ų12674%0.73880%0.795SS**  trans-124.6103.1161.8-153.8142.4000108.6A65 H69A65-L67 PolarHBondContact O-N 3.17Å; L67-H69 WeakPolarHBondContact CD2-CD2 3.44Å
68A42.5Very low44Very low85 Ų85127 Ų12770%0.70280%0.796SS**  trans-62.5127.5166.200000109.1
69H44.2Very low43.8Very low167 Ų167128.1 Ų128.177%0.77379%0.794SS**  trans-129.3123.8155.9-109.2-64.7000110L67L67-H69 WeakPolarHBondContact CD2-CD2 3.44Å
70L39.3Very low44.2Very low165 Ų165131.9 Ų131.986%0.86480%0.795SS**  trans-59149.1173.3-70.3115.2000112.2
71L43.3Very low44.4Very low158 Ų158136.3 Ų136.383%0.82780%0.799SS**  trans-30.1158.4165.3-105.680.6000116.4
72P48Very low44.2Very low117 Ų117136.4 Ų136.476%0.7680%0.797SS**  -147.1148.956.632.3-9.4000118.3
73A44.7Very low44Very low90 Ų90139.6 Ų139.674%0.74480%0.801SS**  trans-64.8143.3157.700000110
74P50.1Low43.6Very low121 Ų121142 Ų14279%0.78681%0.806SS**  -153.3171.4102.535.2-15.3000116
75A42Very low43.1Very low88 Ų88143.7 Ų143.773%0.72780%0.801SS**  trans80.576.9156.600000119.1
76M42.1Very low42.9Very low185 Ų185145.8 Ų145.891%0.91180%0.799SS**  trans-123.910.9156.1-56.7-62.4-70.700113.3
77Y46.3Very low43.2Very low222 Ų222144.4 Ų144.487%0.87179%0.792SS**  trans-115.183.8173.2-90.6-88.4000109.6
78S45.6Very low43Very low114 Ų114145 Ų14580%0.79780%0.801SS**  trans-16361.1165.4-158.40000111
79L44.1Very low42.5Very low160 Ų160144.6 Ų144.684%0.83881%0.805SS**SBendtrans-159.442.3161.6-146.578.2000113.6
80L48.5Very low42.1Very low158 Ų158142.9 Ų142.983%0.82781%0.807SS**SBendtrans-132.719.9172.5-55.5170.2000112.8
81E44.2Very low42.1Very low190 Ų190141.3 Ų141.389%0.88881%0.806SS**  trans-126.266.3175.3-75.9-172.8145.500110.7
82T41.8Very low41.5Very low120 Ų120140.2 Ų140.274%0.73681%0.806SS**  trans-147.2143.8152.735.30000107.9
83E35Very low40.9Very low169 Ų169143.9 Ų143.979%0.7981%0.814SS**  trans91.865177.8-47.7-47.7114.900117.1
84L44.2Very low40.3Very low165 Ų165144.6 Ų144.686%0.86482%0.819SS**  trans-126.877.4147.9-143160.2000109.4
85K36.3Very low39.5Very low167 Ų167143.7 Ų143.773%0.72682%0.822SS**  trans-159.8104.4160.7-150.964.583.2-172.60115.7
86N34.6Very low38.9Very low138 Ų138143 Ų14374%0.73882%0.824SS**  trans87.7163.3141.3-65.61.9000120.1
87P50.1Low38.6Very low112 Ų112141.4 Ų141.473%0.72783%0.825SS**  -135.6168.2-79.235.9-14.6000114.9
88V36.7Very low37.8Very low154 Ų154134.4 Ų134.493%0.93382%0.82SS**  trans47.2123.7152.5115.30000120.9
89G31.3Very low37Very low76 Ų76132.7 Ų132.778%0.78482%0.82SS**  trans-168.6126.4165.900000112.1
90T35.9Very low37.3Very low132 Ų132131.5 Ų131.581%0.8182%0.822SS**  trans-66.8161.7-169.645.10000116.4
91P40.4Very low36.4Very low131 Ų131128.8 Ų128.885%0.85182%0.822SS**  trans-86.3130.7179.133.8-30.6000112.5
92T30.1Very low35.9Very low135 Ų135124 Ų12483%0.82882%0.816SS**  trans-108.9129.2169.3-70.40000110.1
93Q35.7Very low36.1Very low195 Ų195124.5 Ų124.591%0.91182%0.821SS**  trans-66.5141.7174.2-67.1174.37000111.2
94A32Very low35.8Very low104 Ų104120.4 Ų120.486%0.8682%0.824SS**  trans-127.8131.7168.100000110.6
95A32.1Very low35.1Very low102 Ų102116.3 Ų116.384%0.84382%0.822SS**  trans-75.5158.5-164.500000114.5
96G30Very low34.8Very low75 Ų75113.7 Ų113.777%0.77383%0.831SS**  trans-79.2160.6170.600000114.2
97T35.3Very low34.6Very low151 Ų151110.2 Ų110.293%0.92683%0.828SS**  trans-137142.4165.748.90000104.5
98G30.3Very low33.8Very low75 Ų75114.4 Ų114.477%0.77384%0.835SS**  cis-165.9164.6-4.600000105.5
99G29.2Very low33.5Very low78 Ų78112.4 Ų112.480%0.80483%0.828SS**  trans-67.7-164.2-173.700000116.2
100P50.5Low33.6Very low135 Ų135114.1 Ų114.188%0.87783%0.828SS**  cis-137.8170.137.934.4-12.9000117.6
101A29.9Very low33.5Very low100 Ų100112.2 Ų112.283%0.82683%0.826SS**  trans-66.2164.5168.800000111.9
102A33.1Very low33.3Very low91 Ų91113.7 Ų113.775%0.75283%0.826SS**  cis-170.5-157.838.100000108.6
103P46.4Very low33.3Very low129 Ų129110.9 Ų110.984%0.83882%0.817SS**  -125.4171.9-52.728.9-10000113.1
104G27.5Very low33.1Very low84 Ų84106.9 Ų106.987%0.86682%0.817SS**  trans121.4137.2142.900000117.5
105G29.3Very low32.9Very low79 Ų79105.8 Ų105.881%0.81482%0.816SS**  trans12883.1149.900000117.7
106A30.5Very low32.9Very low111 Ų111105.1 Ų105.192%0.91782%0.819SS**  trans4147.6144.500000122.1
107G30Very low33.1Very low66 Ų66106.4 Ų106.468%0.6882%0.822SS**  trans130.194.4143.800000115
108K33.7Very low33Very low200 Ų200107.1 Ų107.187%0.8782%0.821SS**  81.2102.198.5-78.7-179.5179.3179.70116
109S31Very low33.2Very low111 Ų111107.9 Ų107.978%0.77682%0.82SS**  41.1122.8123.855.70000121.4
110S33.8Very low33.2Very low113 Ų113108.2 Ų108.279%0.7982%0.823SS**  170.7106.3127.8-174.10000108.4
111A33.2Very low32.2Very low92 Ų92105.6 Ų105.676%0.7682%0.821SS**  63.3106.485.100000115.8
112N35.4Very low32.4Very low162 Ų162104.9 Ų104.987%0.86682%0.823SS**  109.8140.6119.8-143.67.9000121.2
113A31.3Very low32.4Very low76 Ų76106.9 Ų106.963%0.62883%0.831SS**  trans70.7107152.800000118.4
114A30.6Very low32.1Very low110 Ų110106.8 Ų106.891%0.90983%0.833SS**  77.5121.273.800000113.5
115G28.8Very low32.4Very low81 Ų81106.8 Ų106.884%0.83583%0.834SS**  trans164.793.5171.300000111.6
116G31.1Very low32.6Very low89 Ų89106.7 Ų106.792%0.91883%0.833SS**  trans-65.4147.2-17300000114.9
117A33.6Very low33.1Very low102 Ų102107.4 Ų107.484%0.84383%0.831SS**  trans-123.4116165.200000108.9
118N34.1Very low33.7Very low166 Ų166110.2 Ų110.289%0.88884%0.84SS**  trans-63.2140.8176.5-170.34.9000110.9
119A34.2Very low33.8Very low91 Ų91104.6 Ų104.675%0.75284%0.839SS**  trans-85.5151.8178.600000111.8
120G29.4Very low34.2Very low85 Ų85103.6 Ų103.688%0.87685%0.846SS**  trans124.8119.7166.600000111.6
121G29.2Very low34.4Very low80 Ų80101 Ų10183%0.82584%0.838SS**  cis165.9136.43.900000107.6
122G33.7Very low34.9Very low85 Ų85100.2 Ų100.288%0.87684%0.838SS**  trans80.988.1153.900000118.1
123S34Very low35.4Very low133 Ų13395 Ų9593%0.9382%0.823SS**  trans-129.8125.1145.8-116.90000110.5
124S39.1Very low36.6Very low126 Ų12696.9 Ų96.988%0.88183%0.827SS**  trans-100.1134-177.642.10000110.1
125G34.5Very low37.9Very low85 Ų8596.8 Ų96.888%0.87681%0.811SS**  trans99.2119.8166.900000113.8
126G33.7Very low39.4Very low77 Ų7799.8 Ų99.879%0.79480%0.803SS**  cis159.9141.32.300000109
127S40.9Very low41.7Very low126 Ų126102.3 Ų102.388%0.88180%0.796SS**  trans13389.1147.3-153.20000112.4
128S41.8Very low44.3Very low125 Ų125104.3 Ų104.387%0.87478%0.781SS**  trans177.2106.6144.647.90000108.6
129G36.5Very low47.1Very low82 Ų8298.5 Ų98.585%0.84575%0.752SS**SBendtrans140.8108.216700000114.5
130G40.2Very low50Low89 Ų89101.6 Ų101.692%0.91875%0.748SS**  trans65.385.2148.500000118.4
131G36.6Very low53.2Low60 Ų60104.4 Ų104.462%0.61973%0.733SS**  trans-143.452.616700000111.4G133G131-G133 VanDerWaalsContact C-N 3.27Å; G131-G133 PolarHBondContact O-N 3.06Å; G131-G133 VanDerWaalsContact O-N 3.11Å
132G44Very low56.4Low75 Ų75102.7 Ų102.777%0.77371%0.707SS**THydrogen-bonded Turntrans-76.616.1-165.200000117.6
133G45.2Very low59.5Low53 Ų53101.6 Ų101.655%0.54668%0.679SS.*THydrogen-bonded Turntrans-110-40.4-17000000116.8G131G131-G133 VanDerWaalsContact C-N 3.27Å; G131-G133 PolarHBondContact O-N 3.06Å; G131-G133 VanDerWaalsContact O-N 3.11Å
134T56.6Low62.5Low115 Ų11599.4 Ų99.471%0.70666%0.658SS**THydrogen-bonded Turntrans-118.7-16.3-164.351.30000114.9Q136T134-Q136 VanDerWaalsContact C-N 3.34Å
135D58.4Low65.3Low107 Ų10794.3 Ų94.357%0.57262%0.623SS**SBendtrans-80.8-15.5175-80.9-39.4000112.8
136Q59.8Low68.3Low145 Ų14592.5 Ų92.568%0.67859%0.591SS**SBendtrans-75.7-35.1176.7-64.5-66.517.900112.2T134 R138T134-Q136 VanDerWaalsContact C-N 3.34Å; Q136-R138 PolarHBondContact O-N 2.7Å
137D80.8Confident71.4Confident141 Ų14192.8 Ų92.875%0.75457%0.572SS**SBendtrans-73.7-17.6175.4-69.3-19000112.6V139D137-V139 PolarHBondContact O-N 3.37Å
138R87.4Confident74.1Confident144 Ų14488 Ų8854%0.54354%0.538SS..SBendtrans-78.5108.4179.2-173.3179.3179177.63.3110.5Q136 K140Q136-R138 PolarHBondContact O-N 2.7Å; R138-K140 PolarHBondContact O-N 2.78Å; R138-K140 VanDerWaalsContact O-N 3.12Å
139V92.8Very high76.8Confident44 Ų4482.7 Ų82.727%0.26750%0.499SS..PPolyproline II helixtrans-52.4117.7170.8-177.60000110.9D137 H199 Y203 Y206D137-V139 PolarHBondContact O-N 3.37Å; V139-H199 WeakPolarHBondContact CG1-CE1 3.32Å; V139-Y203 HydrophobicContact CB-CD1 4.49Å; V139-Y203 HydrophobicContact CG1-CD1 3.99Å; V139-Y203 HydrophobicContact CG1-CD2 3.67Å; V139-Y203 HydrophobicContact CG1-CE1 4.22Å; V139-Y203 HydrophobicContact CG1-CE2 3.9Å; V139-Y203 HydrophobicContact CG1-CG 3.69Å; V139-Y203 HydrophobicContact CG2-CD1 3.6Å; V139-Y203 HydrophobicContact CG2-CE1 3.72Å; V139-Y203 HydrophobicContact CG2-CG 4.15Å; V139-Y206 HydrophobicContact CB-CD2 3.81Å; V139-Y206 HydrophobicContact CB-CE2 3.99Å; V139-Y206 HydrophobicContact CG1-CD2 3.44Å; V139-Y206 VanDerWaalsContact CG1-CD2 3.44Å; V139-Y206 HydrophobicContact CG1-CE2 3.72Å; V139-Y206 HydrophobicContact CG1-CG 4.35Å; V139-Y206 WeakPolarHBondContact O-CE2 3.16Å
140K95.2Very high79.7Confident156 Ų15678.8 Ų78.868%0.67846%0.458SS*.PPolyproline II helixtrans-76.4155.2177.8-74.4171.2178.7138.50110.3R138 H199R138-K140 PolarHBondContact O-N 2.78Å; R138-K140 VanDerWaalsContact O-N 3.12Å; K140-H199 PolarHBondContact O-CE1 3.32Å; K140-H199 PolarHBondContact O-NE2 2.76Å
141R96.8Very high82.3Confident145 Ų14580.2 Ų80.255%0.54744%0.436SS..PPolyproline II helixtrans-67.4146.5176-60.9170.7-163.8-140.117.6110.4Y206 Y208R141-Y206 WeakPolarHBondContact CG-OH 3.29Å; R141-Y208 PolarHBondContact NH1-OH 3.21Å; R141-Y208 VanDerWaalsContact NH1-OH 3.13Å; R141-Y208 PolarHBondContact NH2-OH 2.89Å
142P97.2Very high85.1Confident43 Ų4377.9 Ų77.928%0.27941%0.412SS..PPolyproline II helixtrans-64147.2167.728-32.5000109.9H199P142-H199 HydrophobicContact CB-CB 3.99Å; P142-H199 HydrophobicContact CG-CB 4.19Å
143M97.6Very high87.6Confident62 Ų6276.6 Ų76.631%0.30539%0.386SS..PPolyproline II helixtrans-70.1135.1179.5-68.8175.460.100110.5M147 V148 R151 L195M143-M147 HydrophobicContact CB-CB 4.07Å; M143-M147 HydrophobicContact CE-CB 3.96Å; M143-M147 WeakPolarHBondContact CE-O 3.38Å; M143-M147 HydrophobicContact CG-CB 4.4Å; M143-V148 HydrophobicContact CB-CG2 3.85Å; M143-V148 HydrophobicContact CE-CG2 4.39Å; M143-R151 HydrophobicContact CE-CB 4.29Å; M143-L195 HydrophobicContact CB-CD1 4.27Å
144N98.2Very high90Very high88 Ų8876.9 Ų76.947%0.47137%0.37SS..PPolyproline II helixtrans-79.4170.8170.771.523.3000111.1F146 M147 V148N144-F146 PolarHBondContact O-N 2.76Å; N144-F146 PolarHBondContact OD1-N 2.89Å; N144-M147 WeakPolarHBondContact O-CB 2.91Å; N144-M147 PolarHBondContact O-N 3.35Å; N144-M147 WeakPolarHBondContact OD1-CB 3.47Å; N144-M147 WeakPolarHBondContact OD1-CG 3.33Å; N144-M147 PolarHBondContact OD1-N 2.75Å; N144-V148 WeakPolarHBondContact O-CG2 3.42Å; N144-V148 PolarHBondContact O-N 3.49Å
145A97.4Very high91.9Very high18 Ų1876.9 Ų76.915%0.14936%0.358CS..Hα-helixtrans-54.1-47.3-176.100000113.4M147 V148 W149 W177 I189 A192A145-M147 VanDerWaalsContact C-N 3.33Å; A145-M147 PolarHBondContact O-N 2.88Å; A145-V148 PolarHBondContact O-N 3.43Å; A145-W149 PolarHBondContact O-N 3.28Å; A145-W177 HydrophobicContact CB-CH2 4.17Å; A145-W177 HydrophobicContact CB-CZ2 4.13Å; A145-I189 HydrophobicContact CB-CB 4.49Å; A145-I189 HydrophobicContact CB-CG1 3.88Å; A145-A192 HydrophobicContact CB-CB 4.11Å; A145-A192 VanDerWaalsContact N-CB 3.32Å
146F97.9Very high93.7Very high48 Ų4877.4 Ų77.421%0.21136%0.355CS..Hα-helixtrans-61.7-40.3176.2170-99.7000112.2N144 W149 S150 W177N144-F146 PolarHBondContact O-N 2.76Å; N144-F146 PolarHBondContact OD1-N 2.89Å; F146-W149 AromaticContact CD2-CE3 3.93Å; F146-W149 HydrophobicContact CD2-CE3 3.93Å; F146-W149 HydrophobicContact CD2-CZ3 4.04Å; F146-W149 HydrophobicContact CE2-CE3 4.05Å; F146-W149 AromaticContact CE2-CZ3 3.74Å; F146-W149 HydrophobicContact CE2-CZ3 3.74Å; F146-S150 WeakPolarHBondContact O-CB 3.29Å; F146-S150 PolarHBondContact O-N 3.47Å; F146-S150 PolarHBondContact O-OG 2.71Å; F146-W177 HydrophobicContact CB-CD2 4.44Å; F146-W177 HydrophobicContact CD2-CB 3.79Å; F146-W177 AromaticContact CD2-CD1 3.94Å; F146-W177 AromaticContact CD2-CD2 3.98Å; F146-W177 HydrophobicContact CD2-CD2 3.98Å; F146-W177 AromaticContact CD2-CG 3.6Å; F146-W177 HydrophobicContact CD2-CG 3.6Å; F146-W177 HydrophobicContact CE2-CB 3.98Å; F146-W177 HydrophobicContact CE2-CG 4.29Å
147M98Very high95.3Very high82 Ų8271.6 Ų71.640%0.40433%0.328SS..Hα-helixtrans-67-37.7178.5-71.2-64.2-178.100111.4M143 N144 A145 S150 R151M143-M147 HydrophobicContact CB-CB 4.07Å; M143-M147 HydrophobicContact CE-CB 3.96Å; M143-M147 WeakPolarHBondContact CE-O 3.38Å; M143-M147 HydrophobicContact CG-CB 4.4Å; N144-M147 WeakPolarHBondContact O-CB 2.91Å; N144-M147 PolarHBondContact O-N 3.35Å; N144-M147 WeakPolarHBondContact OD1-CB 3.47Å; N144-M147 WeakPolarHBondContact OD1-CG 3.33Å; N144-M147 PolarHBondContact OD1-N 2.75Å; A145-M147 VanDerWaalsContact C-N 3.33Å; A145-M147 PolarHBondContact O-N 2.88Å; M147-S150 WeakPolarHBondContact CA-OG 3.33Å; M147-S150 PolarHBondContact O-OG 3.31Å; M147-R151 PolarHBondContact O-N 3.03Å
148V97.8Very high96Very high26 Ų2666.9 Ų66.916%0.15831%0.308CS..Hα-helixtrans-62-53.9174.8176.70000110.1M143 N144 A145 R151 F188 E191 A192 L195M143-V148 HydrophobicContact CB-CG2 3.85Å; M143-V148 HydrophobicContact CE-CG2 4.39Å; N144-V148 WeakPolarHBondContact O-CG2 3.42Å; N144-V148 PolarHBondContact O-N 3.49Å; A145-V148 PolarHBondContact O-N 3.43Å; V148-R151 PolarHBondContact O-N 2.95Å; V148-F188 HydrophobicContact CG1-CD1 4.19Å; V148-E191 HydrophobicContact CG1-CB 4.39Å; V148-E191 HydrophobicContact CG1-CG 3.89Å; V148-A192 HydrophobicContact CG2-CB 4.4Å; V148-L195 HydrophobicContact CG2-CD1 3.76Å
149W97.7Very high96.3Very high13 Ų1366.5 Ų66.55%0.04932%0.316CS..Hα-helixtrans-62.2-49.2179.2170.581.1000113A145 F146 R151 G152 Q153 L173 D176 W177 L180 F188A145-W149 PolarHBondContact O-N 3.28Å; F146-W149 AromaticContact CD2-CE3 3.93Å; F146-W149 HydrophobicContact CD2-CE3 3.93Å; F146-W149 HydrophobicContact CD2-CZ3 4.04Å; F146-W149 HydrophobicContact CE2-CE3 4.05Å; F146-W149 AromaticContact CE2-CZ3 3.74Å; F146-W149 HydrophobicContact CE2-CZ3 3.74Å; W149-R151 PolarHBondContact O-N 3.24Å; W149-R151 VanDerWaalsContact O-N 3.12Å; W149-G152 PolarHBondContact O-N 2.99Å; W149-Q153 HydrophobicContact CD2-CG 4.12Å; W149-Q153 HydrophobicContact CH2-CG 4.39Å; W149-Q153 HydrophobicContact CZ2-CB 4.48Å; W149-Q153 HydrophobicContact CZ2-CG 3.78Å; W149-Q153 PolarHBondContact O-N 3.13Å; W149-L173 HydrophobicContact CH2-CB 4.19Å; W149-L173 HydrophobicContact CH2-CD2 3.93Å; W149-L173 VanDerWaalsContact CH2-O 3.25Å; W149-L173 WeakPolarHBondContact CH2-O 3.42Å; W149-L173 HydrophobicContact CZ3-CB 3.97Å; W149-L173 HydrophobicContact CZ3-CD2 4.28Å; W149-L173 WeakPolarHBondContact CZ3-O 3.37Å; W149-D176 HydrophobicContact CH2-CB 3.87Å; W149-D176 HydrophobicContact CZ2-CB 4.24Å; W149-W177 HydrophobicContact CB-CE3 4.06Å; W149-W177 HydrophobicContact CB-CH2 4.43Å; W149-W177 HydrophobicContact CB-CZ3 3.59Å; W149-W177 AromaticContact CD2-CE3 3.45Å; W149-W177 HydrophobicContact CD2-CE3 3.45Å; W149-W177 VanDerWaalsContact CD2-CE3 3.45Å; W149-W177 AromaticContact CD2-CZ3 3.87Å; W149-W177 HydrophobicContact CD2-CZ3 3.87Å; W149-W177 HydrophobicContact CE3-CB 4.17Å; W149-W177 HydrophobicContact CE3-CD2 4.2Å; W149-W177 AromaticContact CE3-CE3 3.52Å; W149-W177 HydrophobicContact CE3-CE3 3.52Å; W149-W177 HydrophobicContact CE3-CG 4.49Å; W149-W177 HydrophobicContact CE3-CZ3 4.26Å; W149-W177 AromaticContact CG-CE3 3.71Å; W149-W177 HydrophobicContact CG-CE3 3.71Å; W149-W177 AromaticContact CG-CZ3 3.57Å; W149-W177 HydrophobicContact CG-CZ3 3.57Å; W149-W177 HydrophobicContact CH2-CB 4.04Å; W149-W177 HydrophobicContact CZ3-CB 3.69Å; W149-W177 HydrophobicContact CZ3-CE3 4.18Å; W149-W177 HydrophobicContact CZ3-CG 4.47Å; W149-L180 HydrophobicContact CZ2-CD1 4.03Å; W149-L180 HydrophobicContact CZ2-CD2 4.43Å; W149-F188 HydrophobicContact CB-CB 4.26Å; W149-F188 HydrophobicContact CB-CD1 3.79Å; W149-F188 HydrophobicContact CB-CD2 4.15Å; W149-F188 HydrophobicContact CB-CE1 4.17Å; W149-F188 HydrophobicContact CB-CG 3.78Å; W149-F188 AromaticContact CD1-CD2 3.9Å; W149-F188 AromaticContact CD1-CE2 3.52Å; W149-F188 AromaticContact CD1-CZ 3.59Å; W149-F188 HydrophobicContact CG-CD2 4.34Å; W149-F188 HydrophobicContact CG-CE2 4.36Å; W149-F188 HydrophobicContact CG-CG 4.43Å; W149-F188 HydrophobicContact CG-CZ 4.46Å
150S97.5Very high96.3Very high0 Ų070 Ų700%033%0.33CS..Hα-helixtrans-66.2-18.2-174.963.70000113.3F146 M147 R154F146-S150 WeakPolarHBondContact O-CB 3.29Å; F146-S150 PolarHBondContact O-N 3.47Å; F146-S150 PolarHBondContact O-OG 2.71Å; M147-S150 WeakPolarHBondContact CA-OG 3.33Å; M147-S150 PolarHBondContact O-OG 3.31Å; S150-R154 WeakPolarHBondContact O-CA 3.45Å; S150-R154 WeakPolarHBondContact O-CB 3.47Å; S150-R154 PolarHBondContact O-N 3.41Å
151R95.9Very high96Very high119 Ų11965.6 Ų65.645%0.44931%0.314SS..Hα-helixtrans-66-45179.2-163.3177.9174.7-175.9-1.2111.9M143 M147 V148 W149 R155 Y404M143-R151 HydrophobicContact CE-CB 4.29Å; M147-R151 PolarHBondContact O-N 3.03Å; V148-R151 PolarHBondContact O-N 2.95Å; W149-R151 PolarHBondContact O-N 3.24Å; W149-R151 VanDerWaalsContact O-N 3.12Å; R151-R155 PolarHBondContact O-N 3.33Å; R151-Y404 WeakPolarHBondContact CB-OH 3.44Å; R151-Y404 WeakPolarHBondContact CD-OH 3.47Å; R151-Y404 HydrophobicContact CG-CE1 4.43Å; R151-Y404 WeakPolarHBondContact CG-OH 3.16Å
152G94.4Very high95.7Very high11 Ų1164.1 Ų64.111%0.11332%0.323CS..Hα-helixtrans-69.2-47.5175.200000111.8W149 R154 R155 K156W149-G152 PolarHBondContact O-N 2.99Å; G152-R154 PolarHBondContact O-N 2.94Å; G152-R155 WeakPolarHBondContact O-CB 3.34Å; G152-R155 PolarHBondContact O-N 3.18Å; G152-K156 PolarHBondContact O-N 2.94Å
153Q96.6Very high95.5Very high48 Ų4872.2 Ų72.222%0.22435%0.354CS..Hα-helixtrans-65.5-40.3-178-59.6-54.1-38.900112.8W149 R155 K156 M157 L173W149-Q153 HydrophobicContact CD2-CG 4.12Å; W149-Q153 HydrophobicContact CH2-CG 4.39Å; W149-Q153 HydrophobicContact CZ2-CB 4.48Å; W149-Q153 HydrophobicContact CZ2-CG 3.78Å; W149-Q153 PolarHBondContact O-N 3.13Å; Q153-R155 VanDerWaalsContact C-N 3.3Å; Q153-R155 PolarHBondContact O-N 2.98Å; Q153-K156 PolarHBondContact O-N 2.77Å; Q153-M157 WeakPolarHBondContact O-CG 3.13Å; Q153-M157 PolarHBondContact O-N 2.74Å; Q153-L173 HydrophobicContact CB-CD1 4.45Å; Q153-L173 HydrophobicContact CB-CD2 3.41Å; Q153-L173 VanDerWaalsContact CB-CD2 3.41Å; Q153-L173 HydrophobicContact CG-CD2 4.45Å
154R96.9Very high95.2Very high59 Ų5971 Ų7122%0.22335%0.347CS..Hα-helixtrans-60-40.1174.3-178.2-173.7-72.7121.55.4111.8S150 G152 A158 N166 I169 L173S150-R154 WeakPolarHBondContact O-CA 3.45Å; S150-R154 WeakPolarHBondContact O-CB 3.47Å; S150-R154 PolarHBondContact O-N 3.41Å; G152-R154 PolarHBondContact O-N 2.94Å; R154-A158 VanDerWaalsContact O-CB 3.24Å; R154-A158 WeakPolarHBondContact O-CB 3.27Å; R154-A158 PolarHBondContact O-N 3.29Å; R154-N166 WeakPolarHBondContact CD-ND2 3.02Å; R154-I169 HydrophobicContact CB-CG2 4.36Å; R154-I169 HydrophobicContact CG-CG2 4Å; R154-L173 HydrophobicContact CB-CD1 3.7Å; R154-L173 HydrophobicContact CG-CD1 4.48Å
155R96.3Very high95.1Very high116 Ų11673.4 Ų73.444%0.43836%0.356SS..Hα-helixtrans-63.5-48.4176.7-177.3-178.5-66.3172.6-1110.5R151 G152 Q153 A158 L159 M403R151-R155 PolarHBondContact O-N 3.33Å; G152-R155 WeakPolarHBondContact O-CB 3.34Å; G152-R155 PolarHBondContact O-N 3.18Å; Q153-R155 VanDerWaalsContact C-N 3.3Å; Q153-R155 PolarHBondContact O-N 2.98Å; R155-A158 PolarHBondContact O-N 2.95Å; R155-L159 HydrophobicContact CG-CD1 4.19Å; R155-L159 WeakPolarHBondContact O-CG 3.37Å; R155-L159 PolarHBondContact O-N 3.23Å; R155-M403 PolarHBondContact NH1-SD 3.28Å
156K95.7Very high94.9Very high117 Ų11776.2 Ų76.251%0.50937%0.368SS..Hα-helixtrans-56.9-51.9177.3-177.9-179.8171.4-177.60111.7G152 Q153 A158 L159 E160G152-K156 PolarHBondContact O-N 2.94Å; Q153-K156 PolarHBondContact O-N 2.77Å; K156-A158 VanDerWaalsContact C-N 3.32Å; K156-A158 PolarHBondContact O-N 3.48Å; K156-L159 PolarHBondContact O-N 3.33Å; K156-L159 VanDerWaalsContact O-N 3.16Å; K156-E160 WeakPolarHBondContact CE-OE1 3.47Å; K156-E160 WeakPolarHBondContact CG-OE1 3.1Å; K156-E160 WeakPolarHBondContact O-CG 3.48Å; K156-E160 PolarHBondContact O-N 3.12Å
157M93.4Very high94.8Very high24 Ų2477 Ų7712%0.11838%0.38CS..Hα-helixtrans-62.9-36.4179.8-70.9-171.274.400113.4Q153 L159 E160 N161 M164 I169 R172 L173Q153-M157 WeakPolarHBondContact O-CG 3.13Å; Q153-M157 PolarHBondContact O-N 2.74Å; M157-L159 VanDerWaalsContact C-N 3.33Å; M157-E160 PolarHBondContact O-N 3.42Å; M157-N161 WeakPolarHBondContact O-CB 3.45Å; M157-N161 PolarHBondContact O-N 3.18Å; M157-M164 HydrophobicContact CE-SD 4.41Å; M157-I169 HydrophobicContact CB-CG2 3.92Å; M157-I169 HydrophobicContact CE-CG2 4.49Å; M157-I169 HydrophobicContact SD-CG2 3.95Å; M157-R172 HydrophobicContact CE-CB 3.91Å; M157-R172 HydrophobicContact CE-CG 4.45Å; M157-L173 HydrophobicContact CG-CD2 4.49Å; M157-L173 HydrophobicContact SD-CD2 3.49Å; M157-L173 WeakPolarHBondContact SD-CD2 3.44Å; M157-L173 HydrophobicContact SD-CG 3.81Å
158A94.7Very high94.8Very high41 Ų4176 Ų7634%0.33937%0.374SS..Hα-helixtrans-68.9-32.2177.500000112.4R154 R155 K156 N161 P162 I169R154-A158 VanDerWaalsContact O-CB 3.24Å; R154-A158 WeakPolarHBondContact O-CB 3.27Å; R154-A158 PolarHBondContact O-N 3.29Å; R155-A158 PolarHBondContact O-N 2.95Å; K156-A158 VanDerWaalsContact C-N 3.32Å; K156-A158 PolarHBondContact O-N 3.48Å; A158-N161 CarbonylContact O-C 3.37Å; A158-P162 VanDerWaalsContact O-CA 3.3Å; A158-P162 WeakPolarHBondContact O-CA 3.44Å; A158-I169 HydrophobicContact CB-CD1 4.05Å
159L94.4Very high94.7Very high136 Ų13674.9 Ų74.971%0.71237%0.367SS*.Hα-helixtrans-72.2-41.8174.6-69.5169.8000111.6R155 K156 M157 N161R155-L159 HydrophobicContact CG-CD1 4.19Å; R155-L159 WeakPolarHBondContact O-CG 3.37Å; R155-L159 PolarHBondContact O-N 3.23Å; K156-L159 PolarHBondContact O-N 3.33Å; K156-L159 VanDerWaalsContact O-N 3.16Å; M157-L159 VanDerWaalsContact C-N 3.33Å; L159-N161 VanDerWaalsContact C-N 3.33Å
160E92.4Very high94.7Very high118 Ų11876 Ų7655%0.55138%0.377SS*.Hα-helixtrans-70.4-30.9177.4-68.7171-178.100112.2K156 M157K156-E160 WeakPolarHBondContact CE-OE1 3.47Å; K156-E160 WeakPolarHBondContact CG-OE1 3.1Å; K156-E160 WeakPolarHBondContact O-CG 3.48Å; K156-E160 PolarHBondContact O-N 3.12Å; M157-E160 PolarHBondContact O-N 3.42Å
161N88.7Confident94.7Very high64 Ų6482.3 Ų82.334%0.34241%0.405SS..  trans-131.972.2-177.1-61.9-94.9000111.2M157 A158 L159 K163 M164M157-N161 WeakPolarHBondContact O-CB 3.45Å; M157-N161 PolarHBondContact O-N 3.18Å; A158-N161 CarbonylContact O-C 3.37Å; L159-N161 VanDerWaalsContact C-N 3.33Å; N161-K163 PolarHBondContact O-N 3.45Å; N161-K163 VanDerWaalsContact O-N 3.1Å; N161-M164 HydrophobicContact CB-CB 3.7Å; N161-M164 HydrophobicContact CB-CE 3.81Å; N161-M164 HydrophobicContact CB-SD 4.48Å; N161-M164 WeakPolarHBondContact O-CB 3.33Å; N161-M164 PolarHBondContact O-N 3.07Å
162P90.4Very high94.8Very high113 Ų11382 Ų8273%0.73440%0.403SS*.THydrogen-bonded Turntrans-65.2-18.7-175.224.8-34.3000113.9A158A158-P162 VanDerWaalsContact O-CA 3.3Å; A158-P162 WeakPolarHBondContact O-CA 3.44Å
163K92.9Very high94.9Very high213 Ų21381.5 Ų81.593%0.92640%0.398SS*.THydrogen-bonded Turntrans-86.8-10.8174.3-67.5-1791781750113.5N161N161-K163 PolarHBondContact O-N 3.45Å; N161-K163 VanDerWaalsContact O-N 3.1Å
164M92.6Very high95Very high36 Ų3680.4 Ų80.418%0.17740%0.399CS..SBendtrans-79.7126.1-177.7-170.9-177.7-63.400110.6M157 N161 E168 I169 R172M157-M164 HydrophobicContact CE-SD 4.41Å; N161-M164 HydrophobicContact CB-CB 3.7Å; N161-M164 HydrophobicContact CB-CE 3.81Å; N161-M164 HydrophobicContact CB-SD 4.48Å; N161-M164 WeakPolarHBondContact O-CB 3.33Å; N161-M164 PolarHBondContact O-N 3.07Å; M164-E168 HydrophobicContact CG-CB 3.98Å; M164-E168 HydrophobicContact CG-CG 3.94Å; M164-E168 HydrophobicContact SD-CB 4.47Å; M164-E168 HydrophobicContact SD-CG 4.05Å; M164-I169 HydrophobicContact CB-CG1 4.3Å; M164-I169 HydrophobicContact CG-CG1 3.83Å; M164-I169 HydrophobicContact SD-CG1 3.62Å; M164-R172 VanDerWaalsContact CE-CZ 3.47Å; M164-R172 VanDerWaalsContact CE-NH1 3.26Å
165H95.1Very high95Very high139 Ų13980 Ų8064%0.64441%0.408SS*.  trans-71.8148.1179.9-165.956.7000112S167 E168 I169H165-S167 PolarHBondContact CD2-OG 2.91Å; H165-S167 VanDerWaalsContact CD2-OG 3.25Å; H165-S167 PolarHBondContact O-N 3.38Å; H165-S167 VanDerWaalsContact O-N 3.16Å; H165-E168 WeakPolarHBondContact O-CB 3.34Å; H165-E168 PolarHBondContact O-N 3.25Å; H165-I169 PolarHBondContact O-N 3.32Å; H165-I169 VanDerWaalsContact O-N 3.14Å
166N93.7Very high95Very high78 Ų7877.5 Ų77.542%0.41740%0.404SS..Hα-helixtrans-59.8-31.4-174.7-170-80.9000113.8R154 E168 I169 S170R154-N166 WeakPolarHBondContact CD-ND2 3.02Å; N166-E168 PolarHBondContact O-N 3.19Å; N166-I169 PolarHBondContact O-N 3.04Å; N166-S170 VanDerWaalsContact O-CB 3.32Å; N166-S170 WeakPolarHBondContact O-CB 3.37Å; N166-S170 PolarHBondContact O-N 3.49Å; N166-S170 PolarHBondContact O-OG 3.07Å; N166-S170 PolarHBondContact OD1-OG 3.35Å
167S96.2Very high95.1Very high64 Ų6474 Ų7445%0.44839%0.388SS..Hα-helixtrans-61.9-36.1175.8650000111.9H165 K171H165-S167 PolarHBondContact CD2-OG 2.91Å; H165-S167 VanDerWaalsContact CD2-OG 3.25Å; H165-S167 PolarHBondContact O-N 3.38Å; H165-S167 VanDerWaalsContact O-N 3.16Å; S167-K171 WeakPolarHBondContact O-CE 3.43Å; S167-K171 WeakPolarHBondContact O-CG 3.37Å; S167-K171 PolarHBondContact O-N 3.32Å; S167-K171 VanDerWaalsContact O-N 3.16Å
168E96.8Very high95.3Very high60 Ų6080.9 Ų80.928%0.2842%0.417SS..Hα-helixtrans-75-43.7177-174.957.5-15600111.2M164 H165 N166 S170 K171 R172M164-E168 HydrophobicContact CG-CB 3.98Å; M164-E168 HydrophobicContact CG-CG 3.94Å; M164-E168 HydrophobicContact SD-CB 4.47Å; M164-E168 HydrophobicContact SD-CG 4.05Å; H165-E168 WeakPolarHBondContact O-CB 3.34Å; H165-E168 PolarHBondContact O-N 3.25Å; N166-E168 PolarHBondContact O-N 3.19Å; E168-S170 VanDerWaalsContact C-N 3.29Å; E168-S170 PolarHBondContact O-N 3.16Å; E168-K171 WeakPolarHBondContact O-CB 3.43Å; E168-K171 PolarHBondContact O-N 2.89Å; E168-K171 VanDerWaalsContact O-N 3.17Å; E168-K171 WeakPolarHBondContact OE2-CE 3.3Å; E168-K171 IonicContact OE2-NZ 2.67Å; E168-K171 PolarHBondContact OE2-NZ 2.93Å; E168-R172 PolarHBondContact O-N 3.1Å; E168-R172 VanDerWaalsContact O-N 3.1Å; E168-R172 IonicContact OE1-CZ 3.86Å; E168-R172 IonicContact OE1-NE 3.19Å; E168-R172 PolarHBondContact OE1-NE 3.28Å; E168-R172 IonicContact OE1-NH2 3.59Å
169I96.1Very high95.4Very high3 Ų385.7 Ų85.72%0.01544%0.436CS..Hα-helixtrans-56.5-46.9173.3-61.2173.4000110.2R154 M157 A158 M164 H165 N166 K171 R172 L173R154-I169 HydrophobicContact CB-CG2 4.36Å; R154-I169 HydrophobicContact CG-CG2 4Å; M157-I169 HydrophobicContact CB-CG2 3.92Å; M157-I169 HydrophobicContact CE-CG2 4.49Å; M157-I169 HydrophobicContact SD-CG2 3.95Å; A158-I169 HydrophobicContact CB-CD1 4.05Å; M164-I169 HydrophobicContact CB-CG1 4.3Å; M164-I169 HydrophobicContact CG-CG1 3.83Å; M164-I169 HydrophobicContact SD-CG1 3.62Å; H165-I169 PolarHBondContact O-N 3.32Å; H165-I169 VanDerWaalsContact O-N 3.14Å; N166-I169 PolarHBondContact O-N 3.04Å; I169-K171 VanDerWaalsContact C-N 3.31Å; I169-K171 PolarHBondContact O-N 2.99Å; I169-R172 PolarHBondContact O-N 3.47Å; I169-L173 HydrophobicContact CG2-CD1 3.82Å; I169-L173 HydrophobicContact CG2-CG 4.19Å; I169-L173 VanDerWaalsContact O-CG 3.28Å; I169-L173 WeakPolarHBondContact O-CG 2.81Å; I169-L173 PolarHBondContact O-N 3.11Å
170S97.4Very high95.5Very high37 Ų3780.8 Ų80.826%0.25941%0.41SS..Hα-helixtrans-65.5-32.8-179.2-63.70000112.8N166 E168 G174N166-S170 VanDerWaalsContact O-CB 3.32Å; N166-S170 WeakPolarHBondContact O-CB 3.37Å; N166-S170 PolarHBondContact O-N 3.49Å; N166-S170 PolarHBondContact O-OG 3.07Å; N166-S170 PolarHBondContact OD1-OG 3.35Å; E168-S170 VanDerWaalsContact C-N 3.29Å; E168-S170 PolarHBondContact O-N 3.16Å; S170-G174 PolarHBondContact O-N 2.95Å; S170-G174 VanDerWaalsContact O-N 3.07Å
171K97.9Very high95.8Very high133 Ų13378.7 Ų78.758%0.57841%0.406SS*.Hα-helixtrans-63.6-48.4172.7-84.4-178.1-94155.60111.5S167 E168 I169 G174 A175S167-K171 WeakPolarHBondContact O-CE 3.43Å; S167-K171 WeakPolarHBondContact O-CG 3.37Å; S167-K171 PolarHBondContact O-N 3.32Å; S167-K171 VanDerWaalsContact O-N 3.16Å; E168-K171 WeakPolarHBondContact O-CB 3.43Å; E168-K171 PolarHBondContact O-N 2.89Å; E168-K171 VanDerWaalsContact O-N 3.17Å; E168-K171 WeakPolarHBondContact OE2-CE 3.3Å; E168-K171 IonicContact OE2-NZ 2.67Å; E168-K171 PolarHBondContact OE2-NZ 2.93Å; I169-K171 VanDerWaalsContact C-N 3.31Å; I169-K171 PolarHBondContact O-N 2.99Å; K171-G174 PolarHBondContact O-N 3.03Å; K171-A175 PolarHBondContact O-N 3.12Å
172R97.3Very high96.2Very high112 Ų11281.3 Ų81.342%0.42342%0.42SS..Hα-helixtrans-63.2-47.9179.3-66.1178.1-174.5-155.12.5111.9M157 M164 E168 I169 G174 A175 D176M157-R172 HydrophobicContact CE-CB 3.91Å; M157-R172 HydrophobicContact CE-CG 4.45Å; M164-R172 VanDerWaalsContact CE-CZ 3.47Å; M164-R172 VanDerWaalsContact CE-NH1 3.26Å; E168-R172 PolarHBondContact O-N 3.1Å; E168-R172 VanDerWaalsContact O-N 3.1Å; E168-R172 IonicContact OE1-CZ 3.86Å; E168-R172 IonicContact OE1-NE 3.19Å; E168-R172 PolarHBondContact OE1-NE 3.28Å; E168-R172 IonicContact OE1-NH2 3.59Å; I169-R172 PolarHBondContact O-N 3.47Å; R172-G174 PolarHBondContact O-N 2.88Å; R172-A175 WeakPolarHBondContact O-CA 3.4Å; R172-A175 WeakPolarHBondContact O-CB 3.38Å; R172-A175 PolarHBondContact O-N 2.97Å; R172-D176 PolarHBondContact O-N 2.95Å
173L97.4Very high96.5Very high1 Ų179 Ų791%0.00541%0.41CS..Hα-helixtrans-59-35.7175.6-67.8178.9000113W149 Q153 R154 M157 I169 A175 W177W149-L173 HydrophobicContact CH2-CB 4.19Å; W149-L173 HydrophobicContact CH2-CD2 3.93Å; W149-L173 VanDerWaalsContact CH2-O 3.25Å; W149-L173 WeakPolarHBondContact CH2-O 3.42Å; W149-L173 HydrophobicContact CZ3-CB 3.97Å; W149-L173 HydrophobicContact CZ3-CD2 4.28Å; W149-L173 WeakPolarHBondContact CZ3-O 3.37Å; Q153-L173 HydrophobicContact CB-CD1 4.45Å; Q153-L173 HydrophobicContact CB-CD2 3.41Å; Q153-L173 VanDerWaalsContact CB-CD2 3.41Å; Q153-L173 HydrophobicContact CG-CD2 4.45Å; R154-L173 HydrophobicContact CB-CD1 3.7Å; R154-L173 HydrophobicContact CG-CD1 4.48Å; M157-L173 HydrophobicContact CG-CD2 4.49Å; M157-L173 HydrophobicContact SD-CD2 3.49Å; M157-L173 WeakPolarHBondContact SD-CD2 3.44Å; M157-L173 HydrophobicContact SD-CG 3.81Å; I169-L173 HydrophobicContact CG2-CD1 3.82Å; I169-L173 HydrophobicContact CG2-CG 4.19Å; I169-L173 VanDerWaalsContact O-CG 3.28Å; I169-L173 WeakPolarHBondContact O-CG 2.81Å; I169-L173 PolarHBondContact O-N 3.11Å; L173-A175 VanDerWaalsContact C-N 3.29Å; L173-A175 PolarHBondContact O-N 3.24Å; L173-W177 WeakPolarHBondContact O-CB 3.34Å; L173-W177 PolarHBondContact O-N 3.48Å
174G97.9Very high96.6Very high24 Ų2473.7 Ų73.725%0.24739%0.389CS..Hα-helixtrans-65.3-32.517500000113.3S170 K171 R172 K178S170-G174 PolarHBondContact O-N 2.95Å; S170-G174 VanDerWaalsContact O-N 3.07Å; K171-G174 PolarHBondContact O-N 3.03Å; R172-G174 PolarHBondContact O-N 2.88Å; G174-K178 WeakPolarHBondContact O-CG 3.13Å
175A97.8Very high96.8Very high50 Ų5073.3 Ų73.341%0.41339%0.386SS..Hα-helixtrans-73.8-49.1173.800000110.9K171 R172 L173 W177 K178 L179K171-A175 PolarHBondContact O-N 3.12Å; R172-A175 WeakPolarHBondContact O-CA 3.4Å; R172-A175 WeakPolarHBondContact O-CB 3.38Å; R172-A175 PolarHBondContact O-N 2.97Å; L173-A175 VanDerWaalsContact C-N 3.29Å; L173-A175 PolarHBondContact O-N 3.24Å; A175-W177 VanDerWaalsContact C-N 3.31Å; A175-W177 PolarHBondContact O-N 3.32Å; A175-K178 WeakPolarHBondContact O-CB 3.46Å; A175-K178 PolarHBondContact O-N 3.48Å; A175-L179 PolarHBondContact O-N 3.38Å
176D97.1Very high97Very high65 Ų6574.7 Ų74.735%0.34839%0.386SS..Hα-helixtrans-57.4-44.5179-63.1-19000111.1W149 R172 K178 L179 L180W149-D176 HydrophobicContact CH2-CB 3.87Å; W149-D176 HydrophobicContact CZ2-CB 4.24Å; R172-D176 PolarHBondContact O-N 2.95Å; D176-K178 PolarHBondContact O-N 3.12Å; D176-L179 WeakPolarHBondContact O-CA 3.2Å; D176-L179 WeakPolarHBondContact O-CB 3.25Å; D176-L179 PolarHBondContact O-N 3.44Å; D176-L180 WeakPolarHBondContact O-CD1 3.28Å; D176-L180 PolarHBondContact O-N 2.79Å
177W97.7Very high97.1Very high43 Ų4372.5 Ų72.516%0.16338%0.376CS..Hα-helixtrans-56.5-34.7175.7-179.8-105.9000113.5A145 F146 W149 L173 A175 L179 L180 K185 F188A145-W177 HydrophobicContact CB-CH2 4.17Å; A145-W177 HydrophobicContact CB-CZ2 4.13Å; F146-W177 HydrophobicContact CB-CD2 4.44Å; F146-W177 HydrophobicContact CD2-CB 3.79Å; F146-W177 AromaticContact CD2-CD1 3.94Å; F146-W177 AromaticContact CD2-CD2 3.98Å; F146-W177 HydrophobicContact CD2-CD2 3.98Å; F146-W177 AromaticContact CD2-CG 3.6Å; F146-W177 HydrophobicContact CD2-CG 3.6Å; F146-W177 HydrophobicContact CE2-CB 3.98Å; F146-W177 HydrophobicContact CE2-CG 4.29Å; W149-W177 HydrophobicContact CB-CE3 4.06Å; W149-W177 HydrophobicContact CB-CH2 4.43Å; W149-W177 HydrophobicContact CB-CZ3 3.59Å; W149-W177 AromaticContact CD2-CE3 3.45Å; W149-W177 HydrophobicContact CD2-CE3 3.45Å; W149-W177 VanDerWaalsContact CD2-CE3 3.45Å; W149-W177 AromaticContact CD2-CZ3 3.87Å; W149-W177 HydrophobicContact CD2-CZ3 3.87Å; W149-W177 HydrophobicContact CE3-CB 4.17Å; W149-W177 HydrophobicContact CE3-CD2 4.2Å; W149-W177 AromaticContact CE3-CE3 3.52Å; W149-W177 HydrophobicContact CE3-CE3 3.52Å; W149-W177 HydrophobicContact CE3-CG 4.49Å; W149-W177 HydrophobicContact CE3-CZ3 4.26Å; W149-W177 AromaticContact CG-CE3 3.71Å; W149-W177 HydrophobicContact CG-CE3 3.71Å; W149-W177 AromaticContact CG-CZ3 3.57Å; W149-W177 HydrophobicContact CG-CZ3 3.57Å; W149-W177 HydrophobicContact CH2-CB 4.04Å; W149-W177 HydrophobicContact CZ3-CB 3.69Å; W149-W177 HydrophobicContact CZ3-CE3 4.18Å; W149-W177 HydrophobicContact CZ3-CG 4.47Å; L173-W177 WeakPolarHBondContact O-CB 3.34Å; L173-W177 PolarHBondContact O-N 3.48Å; A175-W177 VanDerWaalsContact C-N 3.31Å; A175-W177 PolarHBondContact O-N 3.32Å; W177-L179 VanDerWaalsContact C-N 3.32Å; W177-L180 HydrophobicContact CE3-CD2 4.13Å; W177-L180 HydrophobicContact CZ3-CD2 4.24Å; W177-K185 HydrophobicContact CE3-CG 4.44Å; W177-K185 HydrophobicContact CH2-CB 3.99Å; W177-K185 HydrophobicContact CH2-CG 3.7Å; W177-K185 HydrophobicContact CZ2-CB 4.33Å; W177-K185 HydrophobicContact CZ2-CD 4.22Å; W177-K185 HydrophobicContact CZ2-CG 3.89Å; W177-K185 HydrophobicContact CZ3-CG 3.99Å; W177-K185 WeakPolarHBondContact O-CE 3.1Å; W177-K185 PolarHBondContact O-NZ 2.89Å; W177-K185 VanDerWaalsContact O-NZ 3.12Å; W177-F188 HydrophobicContact CH2-CB 4.18Å; W177-F188 HydrophobicContact CZ3-CB 4.46Å; W177-F188 HydrophobicContact CZ3-CD2 4.22Å
178K97.5Very high97.2Very high169 Ų16970.2 Ų70.274%0.73536%0.358SS*.Hα-helixtrans-71.5-32.4177.3-70.3175-179.5-177.60111.6G174 A175 D176G174-K178 WeakPolarHBondContact O-CG 3.13Å; A175-K178 WeakPolarHBondContact O-CB 3.46Å; A175-K178 PolarHBondContact O-N 3.48Å; D176-K178 PolarHBondContact O-N 3.12Å
179L97.3Very high97.2Very high142 Ų14270.2 Ų70.274%0.74336%0.359SS*.Hα-helixtrans-77-24.9179.2-64.1173.8000113.2A175 D176 W177 T181A175-L179 PolarHBondContact O-N 3.38Å; D176-L179 WeakPolarHBondContact O-CA 3.2Å; D176-L179 WeakPolarHBondContact O-CB 3.25Å; D176-L179 PolarHBondContact O-N 3.44Å; W177-L179 VanDerWaalsContact C-N 3.32Å; L179-T181 PolarHBondContact O-N 3.28Å
180L96.1Very high97.3Very high32 Ų3274 Ų7417%0.16838%0.38CS..SBendtrans-57.4138.2173.6-91.472.4000110.9W149 D176 W177 E184 K185W149-L180 HydrophobicContact CZ2-CD1 4.03Å; W149-L180 HydrophobicContact CZ2-CD2 4.43Å; D176-L180 WeakPolarHBondContact O-CD1 3.28Å; D176-L180 PolarHBondContact O-N 2.79Å; W177-L180 HydrophobicContact CE3-CD2 4.13Å; W177-L180 HydrophobicContact CZ3-CD2 4.24Å; L180-E184 HydrophobicContact CB-CB 4.39Å; L180-E184 HydrophobicContact CD2-CB 4.17Å; L180-E184 HydrophobicContact CG-CB 4.24Å; L180-K185 HydrophobicContact CB-CD 4.45Å; L180-K185 HydrophobicContact CB-CG 4Å; L180-K185 WeakPolarHBondContact O-CE 3.49Å; L180-K185 PolarHBondContact O-NZ 3.07Å
181T97.9Very high97.3Very high75 Ų7574.1 Ų74.146%0.4638%0.376SS..  trans-70.5159.8172.464.50000111.1L179 A183 E184 K185L179-T181 PolarHBondContact O-N 3.28Å; T181-A183 PolarHBondContact O-N 3.16Å; T181-E184 WeakPolarHBondContact CB-OE2 3.46Å; T181-E184 PolarHBondContact N-OE2 3.37Å; T181-E184 PolarHBondContact O-N 3.17Å; T181-E184 VanDerWaalsContact O-N 3.13Å; T181-E184 VanDerWaalsContact OG1-CD 3.3Å; T181-E184 VanDerWaalsContact OG1-CG 3.29Å; T181-E184 WeakPolarHBondContact OG1-CG 3.16Å; T181-E184 PolarHBondContact OG1-N 2.95Å; T181-E184 PolarHBondContact OG1-OE2 3.08Å; T181-K185 WeakPolarHBondContact O-CG 3.37Å; T181-K185 PolarHBondContact O-N 3.15Å
182D96.6Very high97.3Very high118 Ų11868.3 Ų68.363%0.63135%0.353SS*.Hα-helixtrans-63.3-29.6177-70.2-23.1000112.3K185 R186D182-K185 PolarHBondContact O-N 3.1Å; D182-R186 WeakPolarHBondContact O-CG 3.47Å; D182-R186 PolarHBondContact O-N 3.25Å
183A97Very high97.3Very high65 Ų6569 Ų6954%0.53736%0.359SS..Hα-helixtrans-63-41.3173.900000111.9T181 P187T181-A183 PolarHBondContact O-N 3.16Å; A183-P187 WeakPolarHBondContact O-CD 3.39Å
184E95.7Very high97.4Very high102 Ų10274.5 Ų74.548%0.47738%0.38SS..Hα-helixtrans-73.9-29.4176.7-66.1163.7130.500112.2L180 T181 P187 F188L180-E184 HydrophobicContact CB-CB 4.39Å; L180-E184 HydrophobicContact CD2-CB 4.17Å; L180-E184 HydrophobicContact CG-CB 4.24Å; T181-E184 WeakPolarHBondContact CB-OE2 3.46Å; T181-E184 PolarHBondContact N-OE2 3.37Å; T181-E184 PolarHBondContact O-N 3.17Å; T181-E184 VanDerWaalsContact O-N 3.13Å; T181-E184 VanDerWaalsContact OG1-CD 3.3Å; T181-E184 VanDerWaalsContact OG1-CG 3.29Å; T181-E184 WeakPolarHBondContact OG1-CG 3.16Å; T181-E184 PolarHBondContact OG1-N 2.95Å; T181-E184 PolarHBondContact OG1-OE2 3.08Å; E184-P187 WeakPolarHBondContact O-CD 3.36Å; E184-P187 WeakPolarHBondContact O-CG 3.48Å; E184-F188 VanDerWaalsContact O-CD2 3.29Å; E184-F188 WeakPolarHBondContact O-CD2 3.49Å; E184-F188 WeakPolarHBondContact O-CE2 3.38Å
185K97.6Very high97.4Very high28 Ų2875.6 Ų75.612%0.12238%0.38CS..Hα-helixtrans-76.3-32.5176.8-69.5166.9172.9153.20113W177 L180 T181 D182 F188 I189W177-K185 HydrophobicContact CE3-CG 4.44Å; W177-K185 HydrophobicContact CH2-CB 3.99Å; W177-K185 HydrophobicContact CH2-CG 3.7Å; W177-K185 HydrophobicContact CZ2-CB 4.33Å; W177-K185 HydrophobicContact CZ2-CD 4.22Å; W177-K185 HydrophobicContact CZ2-CG 3.89Å; W177-K185 HydrophobicContact CZ3-CG 3.99Å; W177-K185 WeakPolarHBondContact O-CE 3.1Å; W177-K185 PolarHBondContact O-NZ 2.89Å; W177-K185 VanDerWaalsContact O-NZ 3.12Å; L180-K185 HydrophobicContact CB-CD 4.45Å; L180-K185 HydrophobicContact CB-CG 4Å; L180-K185 WeakPolarHBondContact O-CE 3.49Å; L180-K185 PolarHBondContact O-NZ 3.07Å; T181-K185 WeakPolarHBondContact O-CG 3.37Å; T181-K185 PolarHBondContact O-N 3.15Å; D182-K185 PolarHBondContact O-N 3.1Å; K185-F188 PolarHBondContact O-N 2.99Å; K185-I189 HydrophobicContact CB-CD1 3.87Å; K185-I189 HydrophobicContact CB-CG1 4.45Å; K185-I189 WeakPolarHBondContact O-CG1 3.24Å; K185-I189 PolarHBondContact O-N 3.14Å
186R97.8Very high97.3Very high167 Ų16781.1 Ų81.163%0.6339%0.39SS*.Hα-helixtrans-43.4-52.8-178.4-92.8179.9-176.2155.23114.4D182 F188 I189 D190D182-R186 WeakPolarHBondContact O-CG 3.47Å; D182-R186 PolarHBondContact O-N 3.25Å; R186-F188 VanDerWaalsContact C-N 3.29Å; R186-F188 PolarHBondContact O-N 3.39Å; R186-I189 WeakPolarHBondContact O-CB 3.45Å; R186-I189 PolarHBondContact O-N 2.82Å; R186-I189 VanDerWaalsContact O-N 3.11Å; R186-D190 PolarHBondContact O-N 2.83Å
187P96.9Very high97.3Very high33 Ų3381 Ų8121%0.21440%0.398CS..Hα-helixtrans-60.7-37.3-17922.8-35.6000113.6A183 E184 D190 E191 L397A183-P187 WeakPolarHBondContact O-CD 3.39Å; E184-P187 WeakPolarHBondContact O-CD 3.36Å; E184-P187 WeakPolarHBondContact O-CG 3.48Å; P187-D190 PolarHBondContact O-N 2.96Å; P187-E191 WeakPolarHBondContact O-CB 2.95Å; P187-E191 PolarHBondContact O-N 3.37Å; P187-L397 HydrophobicContact CB-CD1 3.86Å; P187-L397 HydrophobicContact CB-CD2 3.2Å; P187-L397 HydrophobicContact CB-CG 4.12Å; P187-L397 HydrophobicContact CG-CD1 4.03Å; P187-L397 HydrophobicContact CG-CD2 3.74Å
188F97.6Very high97.3Very high15 Ų1582 Ų827%0.06641%0.408CS..Hα-helixtrans-75.1-29.8177.7-54.3-71.5000112.5V148 W149 W177 E184 K185 R186 A192 L397 M400V148-F188 HydrophobicContact CG1-CD1 4.19Å; W149-F188 HydrophobicContact CB-CB 4.26Å; W149-F188 HydrophobicContact CB-CD1 3.79Å; W149-F188 HydrophobicContact CB-CD2 4.15Å; W149-F188 HydrophobicContact CB-CE1 4.17Å; W149-F188 HydrophobicContact CB-CG 3.78Å; W149-F188 AromaticContact CD1-CD2 3.9Å; W149-F188 AromaticContact CD1-CE2 3.52Å; W149-F188 AromaticContact CD1-CZ 3.59Å; W149-F188 HydrophobicContact CG-CD2 4.34Å; W149-F188 HydrophobicContact CG-CE2 4.36Å; W149-F188 HydrophobicContact CG-CG 4.43Å; W149-F188 HydrophobicContact CG-CZ 4.46Å; W177-F188 HydrophobicContact CH2-CB 4.18Å; W177-F188 HydrophobicContact CZ3-CB 4.46Å; W177-F188 HydrophobicContact CZ3-CD2 4.22Å; E184-F188 VanDerWaalsContact O-CD2 3.29Å; E184-F188 WeakPolarHBondContact O-CD2 3.49Å; E184-F188 WeakPolarHBondContact O-CE2 3.38Å; K185-F188 PolarHBondContact O-N 2.99Å; R186-F188 VanDerWaalsContact C-N 3.29Å; R186-F188 PolarHBondContact O-N 3.39Å; F188-A192 VanDerWaalsContact O-CB 3.3Å; F188-A192 WeakPolarHBondContact O-CB 3.43Å; F188-A192 PolarHBondContact O-N 2.67Å; F188-L397 HydrophobicContact CE1-CD1 3.91Å; F188-L397 HydrophobicContact CE2-CD1 4.39Å; F188-L397 HydrophobicContact CZ-CD1 3.71Å; F188-M400 HydrophobicContact CE1-SD 3.8Å; F188-M400 HydrophobicContact CZ-CE 4.31Å; F188-M400 HydrophobicContact CZ-SD 3.84Å
189I97.4Very high97.3Very high61 Ų6174.8 Ų74.831%0.31338%0.377SS..Hα-helixtrans-66.3-47172.3-68.5166.8000109.9A145 K185 R186 A192 K193A145-I189 HydrophobicContact CB-CB 4.49Å; A145-I189 HydrophobicContact CB-CG1 3.88Å; K185-I189 HydrophobicContact CB-CD1 3.87Å; K185-I189 HydrophobicContact CB-CG1 4.45Å; K185-I189 WeakPolarHBondContact O-CG1 3.24Å; K185-I189 PolarHBondContact O-N 3.14Å; R186-I189 WeakPolarHBondContact O-CB 3.45Å; R186-I189 PolarHBondContact O-N 2.82Å; R186-I189 VanDerWaalsContact O-N 3.11Å; I189-A192 PolarHBondContact O-N 3.37Å; I189-K193 HydrophobicContact CG2-CD 4.49Å; I189-K193 WeakPolarHBondContact O-CG 3.38Å; I189-K193 PolarHBondContact O-N 3.16Å
190D98Very high97.2Very high83 Ų8371.9 Ų71.944%0.44436%0.361SS..Hα-helixtrans-68.7-38-179.1-66.1-24.8000111.6R186 P187 K193 R194R186-D190 PolarHBondContact O-N 2.83Å; P187-D190 PolarHBondContact O-N 2.96Å; D190-K193 WeakPolarHBondContact O-CB 3.42Å; D190-K193 PolarHBondContact O-N 2.85Å; D190-K193 IonicContact OD1-NZ 2.85Å; D190-K193 PolarHBondContact OD1-NZ 3.24Å; D190-R194 PolarHBondContact O-N 2.95Å
191E97.2Very high97.2Very high38 Ų3879 Ų7918%0.17839%0.391CS..Hα-helixtrans-64.3-40.8172.2-179.355.4-160.800112.3V148 P187 K193 R194 L195V148-E191 HydrophobicContact CG1-CB 4.39Å; V148-E191 HydrophobicContact CG1-CG 3.89Å; P187-E191 WeakPolarHBondContact O-CB 2.95Å; P187-E191 PolarHBondContact O-N 3.37Å; E191-K193 VanDerWaalsContact C-N 3.32Å; E191-K193 PolarHBondContact O-N 3.21Å; E191-R194 WeakPolarHBondContact O-CB 3.41Å; E191-R194 PolarHBondContact O-N 3.44Å; E191-R194 IonicContact OE1-CZ 3.35Å; E191-R194 IonicContact OE1-NE 3.19Å; E191-R194 PolarHBondContact OE1-NE 3.31Å; E191-R194 IonicContact OE1-NH2 3.79Å; E191-R194 PolarHBondContact OE1-NH2 3.19Å; E191-R194 IonicContact OE2-CZ 3.72Å; E191-R194 IonicContact OE2-NE 2.79Å; E191-R194 PolarHBondContact OE2-NE 2.79Å; E191-R194 IonicContact OE2-NH2 2.68Å; E191-L195 HydrophobicContact CG-CD1 4.44Å; E191-L195 WeakPolarHBondContact O-CG 3.36Å; E191-L195 PolarHBondContact O-N 3.41Å
192A97.6Very high97.1Very high12 Ų1281.2 Ų81.210%0.09940%0.396CS..Hα-helixtrans-64.5-36.4174.300000112.6A145 V148 F188 I189 R196A145-A192 HydrophobicContact CB-CB 4.11Å; A145-A192 VanDerWaalsContact N-CB 3.32Å; V148-A192 HydrophobicContact CG2-CB 4.4Å; F188-A192 VanDerWaalsContact O-CB 3.3Å; F188-A192 WeakPolarHBondContact O-CB 3.43Å; F188-A192 PolarHBondContact O-N 2.67Å; I189-A192 PolarHBondContact O-N 3.37Å; A192-R196 WeakPolarHBondContact O-CB 3.18Å; A192-R196 PolarHBondContact O-N 2.86Å
193K98.3Very high97Very high125 Ų12579.6 Ų79.654%0.54338%0.381SS..Hα-helixtrans-63.9-44.4171.8-70171.8-167.8156.30110.8I189 D190 E191 R196 A197I189-K193 HydrophobicContact CG2-CD 4.49Å; I189-K193 WeakPolarHBondContact O-CG 3.38Å; I189-K193 PolarHBondContact O-N 3.16Å; D190-K193 WeakPolarHBondContact O-CB 3.42Å; D190-K193 PolarHBondContact O-N 2.85Å; D190-K193 IonicContact OD1-NZ 2.85Å; D190-K193 PolarHBondContact OD1-NZ 3.24Å; E191-K193 VanDerWaalsContact C-N 3.32Å; E191-K193 PolarHBondContact O-N 3.21Å; K193-R196 WeakPolarHBondContact O-CB 3.3Å; K193-R196 PolarHBondContact O-N 2.86Å; K193-A197 PolarHBondContact O-N 3.27Å
194R98.1Very high96.8Very high117 Ų11781.1 Ų81.144%0.44239%0.386SS..Hα-helixtrans-58.6-49.5176.7-168.3-164.270.379.70.6110.9D190 E191 R196 A197 V198D190-R194 PolarHBondContact O-N 2.95Å; E191-R194 WeakPolarHBondContact O-CB 3.41Å; E191-R194 PolarHBondContact O-N 3.44Å; E191-R194 IonicContact OE1-CZ 3.35Å; E191-R194 IonicContact OE1-NE 3.19Å; E191-R194 PolarHBondContact OE1-NE 3.31Å; E191-R194 IonicContact OE1-NH2 3.79Å; E191-R194 PolarHBondContact OE1-NH2 3.19Å; E191-R194 IonicContact OE2-CZ 3.72Å; E191-R194 IonicContact OE2-NE 2.79Å; E191-R194 PolarHBondContact OE2-NE 2.79Å; E191-R194 IonicContact OE2-NH2 2.68Å; R194-R196 VanDerWaalsContact C-N 3.3Å; R194-R196 PolarHBondContact O-N 3.49Å; R194-A197 PolarHBondContact O-N 3.02Å; R194-A197 VanDerWaalsContact O-N 3.16Å; R194-V198 WeakPolarHBondContact O-CG2 2.99Å; R194-V198 PolarHBondContact O-N 3.42Å
195L97.6Very high96.7Very high47 Ų4783.7 Ų83.725%0.24640%0.403CS..Hα-helixtrans-59.7-40.1176.4-72173.5000112.2M143 V148 E191 H199M143-L195 HydrophobicContact CB-CD1 4.27Å; V148-L195 HydrophobicContact CG2-CD1 3.76Å; E191-L195 HydrophobicContact CG-CD1 4.44Å; E191-L195 WeakPolarHBondContact O-CG 3.36Å; E191-L195 PolarHBondContact O-N 3.41Å; L195-H199 WeakPolarHBondContact O-CB 3.49Å; L195-H199 PolarHBondContact O-N 3.01Å
196R96.7Very high96.6Very high166 Ų16684.9 Ų84.963%0.62641%0.407SS*.Hα-helixtrans-64.2-43.4175-174.4179-178.1179.6-0.8111.8A192 K193 R194 H199 M200A192-R196 WeakPolarHBondContact O-CB 3.18Å; A192-R196 PolarHBondContact O-N 2.86Å; K193-R196 WeakPolarHBondContact O-CB 3.3Å; K193-R196 PolarHBondContact O-N 2.86Å; R194-R196 VanDerWaalsContact C-N 3.3Å; R194-R196 PolarHBondContact O-N 3.49Å; R196-H199 PolarHBondContact O-N 2.93Å; R196-M200 HydrophobicContact CG-CG 4.48Å; R196-M200 WeakPolarHBondContact O-CG 3.49Å; R196-M200 PolarHBondContact O-N 2.8Å
197A97.1Very high96.4Very high63 Ų6385 Ų8552%0.52141%0.412SS..Hα-helixtrans-64.3-46.2178.400000111.7K193 R194 H199 M200 K201K193-A197 PolarHBondContact O-N 3.27Å; R194-A197 PolarHBondContact O-N 3.02Å; R194-A197 VanDerWaalsContact O-N 3.16Å; A197-H199 VanDerWaalsContact C-N 3.31Å; A197-H199 PolarHBondContact O-N 3Å; A197-M200 PolarHBondContact O-N 2.68Å; A197-K201 PolarHBondContact O-N 2.76Å
198V96.6Very high96.3Very high63 Ų6388.9 Ų88.938%0.38242%0.423SS..Hα-helixtrans-57.3-47.1173.8171.70000110.3R194 M200 K201 E202R194-V198 WeakPolarHBondContact O-CG2 2.99Å; R194-V198 PolarHBondContact O-N 3.42Å; V198-M200 VanDerWaalsContact C-N 3.33Å; V198-M200 PolarHBondContact O-N 3.4Å; V198-K201 PolarHBondContact O-N 3.19Å; V198-K201 VanDerWaalsContact O-N 3.12Å; V198-E202 WeakPolarHBondContact O-CB 3.34Å; V198-E202 PolarHBondContact O-N 2.96Å
199H97.3Very high96.1Very high18 Ų1897.6 Ų97.68%0.08346%0.456CS..Hα-helixtrans-62-38.9179.9-168.180.3000113.3V139 K140 P142 L195 R196 A197 K201 Y203 Y206V139-H199 WeakPolarHBondContact CG1-CE1 3.32Å; K140-H199 PolarHBondContact O-CE1 3.32Å; K140-H199 PolarHBondContact O-NE2 2.76Å; P142-H199 HydrophobicContact CB-CB 3.99Å; P142-H199 HydrophobicContact CG-CB 4.19Å; L195-H199 WeakPolarHBondContact O-CB 3.49Å; L195-H199 PolarHBondContact O-N 3.01Å; R196-H199 PolarHBondContact O-N 2.93Å; A197-H199 VanDerWaalsContact C-N 3.31Å; A197-H199 PolarHBondContact O-N 3Å; H199-K201 VanDerWaalsContact C-N 3.32Å; H199-Y203 AromaticContact CE1-CD2 3.46Å; H199-Y203 VanDerWaalsContact CE1-CD2 3.46Å; H199-Y203 WeakPolarHBondContact CE1-CD2 3.39Å; H199-Y203 AromaticContact CE1-CE2 3.86Å; H199-Y203 AromaticContact ND1-CD2 3.5Å; H199-Y203 WeakPolarHBondContact ND1-CD2 3.39Å; H199-Y203 AromaticContact ND1-CE2 3.8Å; H199-Y203 WeakPolarHBondContact O-CA 3.49Å; H199-Y203 WeakPolarHBondContact O-CB 3.46Å; H199-Y203 PolarHBondContact O-N 3.3Å; H199-Y206 AromaticContact CD2-CD1 3.83Å; H199-Y206 AromaticContact NE2-CD1 3.52Å; H199-Y206 AromaticContact NE2-CD2 3.61Å; H199-Y206 AromaticContact NE2-CE1 3.7Å; H199-Y206 AromaticContact NE2-CE2 3.78Å; H199-Y206 AromaticContact NE2-CG 3.45Å; H199-Y206 AromaticContact NE2-CZ 3.81Å
200M96.2Very high95.8Very high82 Ų8298.5 Ų98.540%0.40447%0.466SS..Hα-helixtrans-71-29.8176.8-62.7-85.769.200112.4R196 A197 V198 Y203 P204 Y206R196-M200 HydrophobicContact CG-CG 4.48Å; R196-M200 WeakPolarHBondContact O-CG 3.49Å; R196-M200 PolarHBondContact O-N 2.8Å; A197-M200 PolarHBondContact O-N 2.68Å; V198-M200 VanDerWaalsContact C-N 3.33Å; V198-M200 PolarHBondContact O-N 3.4Å; M200-Y203 CarbonylContact O-C 3.58Å; M200-P204 WeakPolarHBondContact O-CA 3.36Å; M200-Y206 HydrophobicContact CE-CD1 3.96Å; M200-Y206 HydrophobicContact CE-CG 4.46Å
201K96.3Very high95.4Very high182 Ų182104.2 Ų104.279%0.79148%0.481SS*.Hα-helixtrans-74.2-44174.6-177-178.2177.2-1770112.1A197 V198 H199A197-K201 PolarHBondContact O-N 2.76Å; V198-K201 PolarHBondContact O-N 3.19Å; V198-K201 VanDerWaalsContact O-N 3.12Å; H199-K201 VanDerWaalsContact C-N 3.32Å
202E95.9Very high95Very high120 Ų120113.8 Ų113.856%0.56152%0.516SS*.Hα-helixtrans-74-33.4-178.7-171.1175.1-173.100111.9V198 P204V198-E202 WeakPolarHBondContact O-CB 3.34Å; V198-E202 PolarHBondContact O-N 2.96Å; E202-P204 WeakPolarHBondContact O-CD 3.19Å
203Y94.3Very high94.4Very high84 Ų84121.4 Ų121.433%0.32955%0.547SS..  trans-126.776.3179.6-51.3-74.3000110.6V139 H199 M200 D205 Y206V139-Y203 HydrophobicContact CB-CD1 4.49Å; V139-Y203 HydrophobicContact CG1-CD1 3.99Å; V139-Y203 HydrophobicContact CG1-CD2 3.67Å; V139-Y203 HydrophobicContact CG1-CE1 4.22Å; V139-Y203 HydrophobicContact CG1-CE2 3.9Å; V139-Y203 HydrophobicContact CG1-CG 3.69Å; V139-Y203 HydrophobicContact CG2-CD1 3.6Å; V139-Y203 HydrophobicContact CG2-CE1 3.72Å; V139-Y203 HydrophobicContact CG2-CG 4.15Å; H199-Y203 AromaticContact CE1-CD2 3.46Å; H199-Y203 VanDerWaalsContact CE1-CD2 3.46Å; H199-Y203 WeakPolarHBondContact CE1-CD2 3.39Å; H199-Y203 AromaticContact CE1-CE2 3.86Å; H199-Y203 AromaticContact ND1-CD2 3.5Å; H199-Y203 WeakPolarHBondContact ND1-CD2 3.39Å; H199-Y203 AromaticContact ND1-CE2 3.8Å; H199-Y203 WeakPolarHBondContact O-CA 3.49Å; H199-Y203 WeakPolarHBondContact O-CB 3.46Å; H199-Y203 PolarHBondContact O-N 3.3Å; M200-Y203 CarbonylContact O-C 3.58Å; Y203-D205 VanDerWaalsContact C-N 3.27Å; Y203-D205 PolarHBondContact O-N 3.25Å; Y203-Y206 WeakPolarHBondContact O-CB 3.41Å; Y203-Y206 PolarHBondContact O-N 3.36Å
204P93.5Very high93.7Very high98 Ų98122 Ų12264%0.63656%0.561SS**THydrogen-bonded Turntrans-62.7-33.3-179.224.6-33.6000112.6M200 E202 Y206M200-P204 WeakPolarHBondContact O-CA 3.36Å; E202-P204 WeakPolarHBondContact O-CD 3.19Å; P204-Y206 VanDerWaalsContact C-N 3.25Å; P204-Y206 PolarHBondContact O-N 2.88Å
205D93.4Very high92.8Very high156 Ų156126 Ų12683%0.83458%0.581SS**THydrogen-bonded Turntrans-84.86.1177.1-62.6-44.1000113.6Y203 K207Y203-D205 VanDerWaalsContact C-N 3.27Å; Y203-D205 PolarHBondContact O-N 3.25Å; D205-K207 PolarHBondContact O-N 3.16Å
206Y95.6Very high91.5Very high53 Ų53128.2 Ų128.221%0.20860%0.597CS.*  trans-63.9112.8-180-179-102.9000111.5V139 R141 H199 M200 Y203 P204V139-Y206 HydrophobicContact CB-CD2 3.81Å; V139-Y206 HydrophobicContact CB-CE2 3.99Å; V139-Y206 HydrophobicContact CG1-CD2 3.44Å; V139-Y206 VanDerWaalsContact CG1-CD2 3.44Å; V139-Y206 HydrophobicContact CG1-CE2 3.72Å; V139-Y206 HydrophobicContact CG1-CG 4.35Å; V139-Y206 WeakPolarHBondContact O-CE2 3.16Å; R141-Y206 WeakPolarHBondContact CG-OH 3.29Å; H199-Y206 AromaticContact CD2-CD1 3.83Å; H199-Y206 AromaticContact NE2-CD1 3.52Å; H199-Y206 AromaticContact NE2-CD2 3.61Å; H199-Y206 AromaticContact NE2-CE1 3.7Å; H199-Y206 AromaticContact NE2-CE2 3.78Å; H199-Y206 AromaticContact NE2-CG 3.45Å; H199-Y206 AromaticContact NE2-CZ 3.81Å; M200-Y206 HydrophobicContact CE-CD1 3.96Å; M200-Y206 HydrophobicContact CE-CG 4.46Å; Y203-Y206 WeakPolarHBondContact O-CB 3.41Å; Y203-Y206 PolarHBondContact O-N 3.36Å; P204-Y206 VanDerWaalsContact C-N 3.25Å; P204-Y206 PolarHBondContact O-N 2.88Å
207K93.4Very high90Very high168 Ų168128 Ų12873%0.7361%0.608SS**  trans-118.8124.6174.4-169.7168.4-175.3169.80111.6D205 R209D205-K207 PolarHBondContact O-N 3.16Å; K207-R209 HydrophobicContact CG-CG 4.44Å; K207-R209 PolarHBondContact O-N 2.91Å
208Y95Very high88.4Confident115 Ų115132 Ų13245%0.45162%0.619SS.*  trans-69.6114.4174.2176.3-133.7000111.3R141 P210R141-Y208 PolarHBondContact NH1-OH 3.21Å; R141-Y208 VanDerWaalsContact NH1-OH 3.13Å; R141-Y208 PolarHBondContact NH2-OH 2.89Å; Y208-P210 HydrophobicContact CD1-CG 4.3Å; Y208-P210 HydrophobicContact CE1-CB 4.5Å; Y208-P210 HydrophobicContact CE1-CG 3.63Å; Y208-P210 HydrophobicContact CE2-CB 4.3Å; Y208-P210 HydrophobicContact CE2-CG 4.04Å; Y208-P210 VanDerWaalsContact CZ-CG 3.48Å
209R92Very high86.5Confident198 Ų198137.4 Ų137.475%0.74764%0.637SS**  trans-118.994.7176.8-62.4176.678.4-1705110.2K207 R211K207-R209 HydrophobicContact CG-CG 4.44Å; K207-R209 PolarHBondContact O-N 2.91Å; R209-R211 PolarHBondContact O-N 2.97Å
210P92.2Very high84.6Confident81 Ų81144.5 Ų144.553%0.52667%0.668SS.*  trans-59.3128.8172.5-8.113.3000110.6Y208 R212Y208-P210 HydrophobicContact CD1-CG 4.3Å; Y208-P210 HydrophobicContact CE1-CB 4.5Å; Y208-P210 HydrophobicContact CE1-CG 3.63Å; Y208-P210 HydrophobicContact CE2-CB 4.3Å; Y208-P210 HydrophobicContact CE2-CG 4.04Å; Y208-P210 VanDerWaalsContact CZ-CG 3.48Å; P210-R212 PolarHBondContact O-N 3.38Å
211R90.3Very high82.6Confident203 Ų203148.2 Ų148.277%0.76669%0.69SS**  trans-82.1109.8176.1-171.3168-172.9-93.80.4109.5R209R209-R211 PolarHBondContact O-N 2.97Å
212R88.3Confident80.5Confident239 Ų239148.6 Ų148.690%0.90269%0.691SS**  trans-71.5128.7170.8-61.2-179.380.1-175.14.9108.5P210P210-R212 PolarHBondContact O-N 3.38Å
213K85.4Confident78.1Confident172 Ų172152.5 Ų152.575%0.74870%0.702SS**  trans-95.9131.2165.9-64.3-174.6180-176.20107.3K215K213-K215 PolarHBondContact O-N 3.26Å
214T82.9Confident76.1Confident137 Ų137154.1 Ų154.184%0.8473%0.726SS**  trans-65.4104.7171.537.20000108.3T216T214-T216 PolarHBondContact O-N 2.85Å; T214-T216 VanDerWaalsContact O-N 3.17Å
215K78.3Confident73.9Confident201 Ų201156.8 Ų156.887%0.87473%0.734SS**  trans-74.3101.3166.7-77.7-174.3150.4-172.80106.7K213 L217K213-K215 PolarHBondContact O-N 3.26Å; K215-L217 PolarHBondContact O-N 3.34Å
216T71.1Confident71.8Confident93 Ų93155.3 Ų155.357%0.57173%0.733SS**  trans-66.4102.217057.20000107.7T214 L218T214-T216 PolarHBondContact O-N 2.85Å; T214-T216 VanDerWaalsContact O-N 3.17Å; T216-L218 PolarHBondContact O-N 3.12Å; T216-L218 VanDerWaalsContact O-N 3.09Å
217L66.1Low69.4Low163 Ų163157.9 Ų157.985%0.85376%0.759SS**  trans-692.4-180-167137.3000113K215K215-L217 PolarHBondContact O-N 3.34Å
218L62.5Low67.6Low147 Ų147153.1 Ų153.177%0.7776%0.757SS**  trans-100.929.5-166.7-59.8165.9000115.1T216T216-L218 PolarHBondContact O-N 3.12Å; T216-L218 VanDerWaalsContact O-N 3.09Å
219K56.7Low65.7Low175 Ų175155.7 Ų155.776%0.76178%0.778SS**  trans-131.138.7173.8-82.8103.8173.4-179.90113.3
220K56.5Low63.7Low167 Ų167153.6 Ų153.673%0.72678%0.78SS**  trans-131.451.8167.8-156.8170.4178.7177.80112.8
221D54.2Low61.9Low160 Ų160154.7 Ų154.786%0.85679%0.788SS**SBendtrans-117.722.8160-62.2-44.4000111.6
222K52.7Low59.9Low191 Ų191151.8 Ų151.883%0.8380%0.795SS**  trans-12140.3175.8-147.5121.5170.3-78.10111.1
223Y46.7Very low58.3Low202 Ų202143.1 Ų143.179%0.79278%0.781SS**SBendtrans-122.998.2152.4-84.2-82.3000107.2L225Y223-L225 PolarHBondContact O-N 3.02Å
224S52Low56.8Low118 Ų118138.6 Ų138.683%0.82578%0.775SS**  trans-38.1116.6161.9-167.50000110.9
225L45.8Very low55.3Low153 Ų153136.1 Ų136.180%0.80177%0.769SS**  trans-101.2134.8152.1-78.5169.9000106.4Y223 S227Y223-L225 PolarHBondContact O-N 3.02Å; L225-S227 PolarHBondContact O-N 3.26Å
226P49.5Very low54Low125 Ų125130.2 Ų130.281%0.81276%0.757SS**  trans-75.281.1178.432.4-31.8000108.7G228P226-G228 VanDerWaalsContact C-N 3.33Å; P226-G228 PolarHBondContact O-N 3.37Å; P226-G228 VanDerWaalsContact O-N 3.15Å
227S46.3Very low53Low108 Ų108129.1 Ų129.176%0.75576%0.758SS**  trans-85.678.2174.9-166.20000109.2L225L225-S227 PolarHBondContact O-N 3.26Å
228G55.6Low52.4Low67 Ų67124.6 Ų124.669%0.69174%0.743SS**  trans-119.323-178.600000115P226P226-G228 VanDerWaalsContact C-N 3.33Å; P226-G228 PolarHBondContact O-N 3.37Å; P226-G228 VanDerWaalsContact O-N 3.15Å
229L55.4Low51.9Low169 Ų169120.7 Ų120.789%0.88573%0.732SS**  trans-136.447.5-177-71175.9000114.1
230L49Very low51.6Low154 Ų154115.4 Ų115.481%0.80672%0.721SS**  trans-131126.9165.6-75.6163.5000110.6
231P55.3Low51.3Low105 Ų105110.7 Ų110.768%0.68271%0.714SS**  trans-70.9148-176.327.3-32.7000112.1G233P231-G233 PolarHBondContact O-N 2.96Å; P231-G233 VanDerWaalsContact O-N 3.09Å
232P47.8Very low51.2Low141 Ų141106.4 Ų106.492%0.91670%0.7SS**THydrogen-bonded Turntrans-72.6105.9-175.729.7-32.3000110
233G54.2Low51Low58 Ų58100.4 Ų100.460%0.59869%0.687SS**THydrogen-bonded Turntrans176.8-28175.400000114.1P231P231-G233 PolarHBondContact O-N 2.96Å; P231-G233 VanDerWaalsContact O-N 3.09Å
234A53.8Low51Low77 Ų7794.3 Ų94.364%0.63668%0.678SS**Hα-helixtrans-82.8-16.3-177.800000114.7
235A51.7Low50.9Low85 Ų8592.2 Ų92.270%0.70267%0.668SS**Hα-helixtrans-70.7-30.2-179.500000113A239A235-A239 PolarHBondContact O-N 3.43Å
236A51Low50.9Low77 Ų7788.5 Ų88.564%0.63666%0.659SS**Hα-helixtrans-71.4-33.3179.800000112.5A240A236-A240 PolarHBondContact O-N 3.36Å
237A50.5Low50.6Low70 Ų7087 Ų8758%0.57966%0.658SS**Hα-helixtrans-73.2-35.6178.300000112.7A241A237-A241 PolarHBondContact O-N 2.9Å
238A52.4Low50.6Low67 Ų6786.3 Ų86.355%0.55466%0.658SS**Hα-helixtrans-70.7-34.5177.500000112.7A242A238-A242 PolarHBondContact O-N 2.92Å
239A52.3Low50.1Low65 Ų6587.5 Ų87.554%0.53766%0.656SS.*Hα-helixtrans-69.5-36.6175.600000112.5A235 A242 A243A235-A239 PolarHBondContact O-N 3.43Å; A239-A242 PolarHBondContact O-N 3.42Å; A239-A243 PolarHBondContact O-N 3.47Å
240A50.9Low49.4Very low64 Ų6485.2 Ų85.253%0.52965%0.654SS.*Hα-helixtrans-68-36.4176.700000112.8A236 A243 A244A236-A240 PolarHBondContact O-N 3.36Å; A240-A243 PolarHBondContact O-N 3.49Å; A240-A244 PolarHBondContact O-N 3.34Å
241A50.2Low49.4Very low69 Ų6983.8 Ų83.857%0.5765%0.654SS**Hα-helixtrans-68.5-33.9176.500000112.9A237A237-A241 PolarHBondContact O-N 2.9Å
242A52.6Low48.4Very low69 Ų6986.1 Ų86.157%0.5767%0.666SS**Hα-helixtrans-71.8-32.6175.500000112.7A238 A239A238-A242 PolarHBondContact O-N 2.92Å; A239-A242 PolarHBondContact O-N 3.42Å
243A48Very low47.7Very low66 Ų6683 Ų8355%0.54566%0.659SS.*Hα-helixtrans-72.2-34.217800000113A239 A240 A245 A246A239-A243 PolarHBondContact O-N 3.47Å; A240-A243 PolarHBondContact O-N 3.49Å; A243-A245 VanDerWaalsContact C-N 3.3Å; A243-A245 PolarHBondContact O-N 3.06Å; A243-A246 PolarHBondContact O-N 3.13Å
244A46.6Very low47Very low73 Ų7387.6 Ų87.660%0.60368%0.675SS**Hα-helixtrans-67.4-28.3177.100000113.3A240 A246A240-A244 PolarHBondContact O-N 3.34Å; A244-A246 VanDerWaalsContact C-N 3.33Å
245A49.2Very low46.4Very low75 Ų7587 Ų8762%0.6268%0.677SS**Hα-helixtrans-74.8-21177.300000113.5A243A243-A245 VanDerWaalsContact C-N 3.3Å; A243-A245 PolarHBondContact O-N 3.06Å
246A46.9Very low45.8Very low75 Ų7592 Ų9262%0.6269%0.686SS**Hα-helixtrans-85.9-18.1-178.300000113.8A243 A244 A248A243-A246 PolarHBondContact O-N 3.13Å; A244-A246 VanDerWaalsContact C-N 3.33Å; A246-A248 VanDerWaalsContact C-N 3.34Å; A246-A248 PolarHBondContact O-N 2.89Å
247A42.7Very low45.2Very low94 Ų9499.7 Ų99.778%0.77770%0.698SS**THydrogen-bonded Turntrans-83.2-3.7-178.900000114.4
248A47.1Very low44.5Very low92 Ų92103.5 Ų103.576%0.7671%0.708SS**THydrogen-bonded Turntrans-100.79.4-175.100000115.1A246A246-A248 VanDerWaalsContact C-N 3.34Å; A246-A248 PolarHBondContact O-N 2.89Å
249S45.5Very low43.8Very low93 Ų93107.9 Ų107.965%0.6572%0.722SS**  trans-128.796.8178.860.30000112.4
250S38.8Very low43.7Very low121 Ų121110.5 Ų110.585%0.84673%0.732SS**  trans-66.9149.3160.5-790000110.9
251P49.8Very low43Very low123 Ų123117 Ų11780%0.79974%0.744SS**  trans-99.9105.7-171.635.4-27.5000112.1
252V33.9Very low42.8Very low154 Ų154118.3 Ų118.393%0.93375%0.745SS**  trans-149.9128.9158.1-179.90000108.7
253G34.6Very low42.8Very low75 Ų75123.2 Ų123.277%0.77376%0.755SS**  trans127.4110.4158.500000115.7
254V37.8Very low42.7Very low155 Ų155125.5 Ų125.594%0.93976%0.762SS**  trans-75.6135.9175.11780000110.5
255G41.3Very low42.7Very low65 Ų65129.7 Ų129.767%0.6778%0.775SS**  trans97.9139.115400000117.6
256Q40.4Very low42.6Very low190 Ų190129.6 Ų129.689%0.88878%0.781SS**  trans85.282170-47.9-67.229.900117.7
257R37.3Very low42.1Very low238 Ų238137.6 Ų137.690%0.89880%0.796SS**  trans-99.798.4149.3-94.7-83.6176.4170.8-3108
258L37.3Very low42.1Very low150 Ų150138 Ų13879%0.78580%0.799SS**  trans-63.4122.4165.7-175.365.3000108.5T260L258-T260 VanDerWaalsContact C-N 3.31Å; L258-T260 PolarHBondContact O-N 3.18Å
259D37.8Very low41.9Very low160 Ų160141.1 Ų141.186%0.85680%0.803SS**  trans-67.884.5175.4-71.3-61000110.6Y261D259-Y261 VanDerWaalsContact C-N 3.27Å; D259-Y261 PolarHBondContact O-N 3.12Å
260T49.3Very low42Very low119 Ų119140.1 Ų140.173%0.7381%0.807SS**  trans-74.384.2159.2-61.30000108.3L258L258-T260 VanDerWaalsContact C-N 3.31Å; L258-T260 PolarHBondContact O-N 3.18Å
261Y36.3Very low42.2Very low202 Ų202139 Ų13979%0.79281%0.806SS**  trans-149.285.8151-140.4-94000111.2D259 V264D259-Y261 VanDerWaalsContact C-N 3.27Å; D259-Y261 PolarHBondContact O-N 3.12Å; Y261-V264 HydrophobicContact CE1-CG2 4.48Å
262T46.2Very low41.7Very low95 Ų95143.2 Ų143.258%0.58381%0.807SS**  trans-58.9124.5160.244.50000111.3
263H53.1Low42.5Very low172 Ų172141.4 Ų141.480%0.79680%0.801SS**  trans44.994.9131.7-35.4-56.4000118.5
264V45.4Very low43.4Very low114 Ų114146 Ų14669%0.69181%0.807SS**SBendtrans-131.193.3148.5-71.70000109.2Y261Y261-V264 HydrophobicContact CE1-CG2 4.48Å
265N45.4Very low44Very low161 Ų161144.2 Ų144.286%0.86180%0.796SS**SBendtrans152103.3150.1-78.20000108.9W267N265-W267 PolarHBondContact O-N 3.11Å
266G47.3Very low44.1Very low74 Ų74150.1 Ų150.176%0.76381%0.806SS**  trans-62.8120.9-175.300000113
267W37.9Very low44.3Very low243 Ų243150 Ų15092%0.9281%0.806SS**  trans-130.4100.9146.3-78.6-22.1000107.4N265 N269N265-W267 PolarHBondContact O-N 3.11Å; W267-N269 PolarHBondContact O-N 3.29Å
268A41.7Very low44.4Very low102 Ų102147.5 Ų147.584%0.84380%0.804SS**  trans-65.1114.916600000108.6
269N44.1Very low44.5Very low158 Ų158148.4 Ų148.485%0.84581%0.809SS**  trans-134104.4157.2-83.9-78.5000106.4W267W267-N269 PolarHBondContact O-N 3.29Å
270G47.5Very low44.2Very low72 Ų72144.7 Ų144.774%0.74281%0.808SS**  trans170.812.9178.400000117.3Y272G270-Y272 VanDerWaalsContact C-N 3.33Å; G270-Y272 PolarHBondContact O-N 3.41Å
271A41.9Very low43.6Very low98 Ų98149.5 Ų149.581%0.8182%0.815SS**  trans-87.216.8-175.500000115.4
272Y39.8Very low43.7Very low211 Ų211144.2 Ų144.283%0.82781%0.813SS**  trans-129.975.8173.5-89.6-86.6000110.5G270 V275G270-Y272 VanDerWaalsContact C-N 3.33Å; G270-Y272 PolarHBondContact O-N 3.41Å; Y272-V275 HydrophobicContact CD1-CG2 3.81Å; Y272-V275 HydrophobicContact CE1-CG2 4.1Å
273S50.1Low43.2Very low115 Ų115148.2 Ų148.280%0.80483%0.825SS**SBendtrans-142.5-1.6162-128.30000113.7
274L54Low42.7Very low173 Ų173145.2 Ų145.291%0.90682%0.821SS**SBendtrans-1057.9-176.4-145.293000114.4
275V49.8Very low42.6Very low116 Ų116145.7 Ų145.770%0.70383%0.826SS**SBendtrans-103.87.9-177.6-1130000113.9Y272Y272-V275 HydrophobicContact CD1-CG2 3.81Å; Y272-V275 HydrophobicContact CE1-CG2 4.1Å
276Q43.3Very low42.1Very low189 Ų189143 Ų14388%0.88382%0.82SS**SBendtrans-112.339.2-176.1-156172.71.300113.5
277E44.4Very low41.8Very low189 Ų189147.6 Ų147.688%0.88382%0.823SS**SBendtrans-146.855.3170.7-155.6168.8-18000112.7
278Q40.7Very low42.1Very low185 Ų185141.4 Ų141.486%0.86482%0.817SS**  trans-148.846.9169.1-149.7-174.3-43.600114
279L38.6Very low42Very low169 Ų169142.4 Ų142.489%0.88582%0.818SS**  trans-138.282.6163.6-71.5175.4000109.6
280G31.2Very low42.4Very low82 Ų82140.4 Ų140.485%0.84581%0.814SS**PPolyproline II helixtrans-77.5116.2168.300000110.6
281Y37Very low42.9Very low220 Ų220142.8 Ų142.886%0.86382%0.816SS**PPolyproline II helixtrans-101.7125.6160.1-99.8-85.8000108.8
282A38.8Very low43.9Very low91 Ų91143.7 Ų143.775%0.75281%0.814SS**PPolyproline II helixtrans-67.5143.9176.600000112
283Q36.2Very low44.9Very low178 Ų178139.4 Ų139.483%0.83281%0.812SS**  trans-134.9140.9164.2-75-63.7-52.900109.9
284P40.9Very low45.1Very low109 Ų109140 Ų14071%0.70881%0.813SS**  trans-83.1167.7-172.234.7-35.5000113.6
285P44.8Very low44.4Very low125 Ų125136.5 Ų136.581%0.81281%0.809SS**  trans-98140.3-166.636-29.1000113.1
286S33.4Very low44.3Very low103 Ų103139 Ų13972%0.7282%0.817SS**  trans-164.4119.1141.866.90000113.4
287M42.2Very low44.8Very low171 Ų171135 Ų13584%0.84281%0.808SS**  trans79.8122.2138.5-58.8-67.9101.600121.3
288S43.6Very low45.1Very low114 Ų114132 Ų13280%0.79781%0.805SS**  trans88.291.9146.966.40000119.7
289S39.6Very low45.1Very low123 Ų123131.2 Ų131.286%0.8680%0.803SS**  trans-160.3153.4144.8-91.70000112.1
290P52.8Low45.4Very low116 Ų116130.8 Ų130.875%0.75380%0.796SS**PPolyproline II helixtrans-82.2168.6-150.433.3-35.5000115.2
291P58.2Low45.8Very low121 Ų121138.9 Ų138.979%0.78680%0.801SS**PPolyproline II helixtrans-80.5150-162.232.5-35.2000114.2
292P62.6Low46.1Very low117 Ų117138.4 Ų138.476%0.7680%0.799SS**PPolyproline II helixtrans-85.7156.9172.234.1-33.2000113.1
293P61.2Low46.4Very low121 Ų121140.4 Ų140.479%0.78680%0.797SS**PPolyproline II helixtrans-74.3162.5177.630.6-34.5000113.7
294P53.3Low47Very low129 Ų129139.3 Ų139.384%0.83879%0.794SS**PPolyproline II helixtrans-80155.2-162.231.7-34.6000115.3
295A40.4Very low47.4Very low99 Ų99138.3 Ų138.382%0.81880%0.795SS**PPolyproline II helixtrans-75.3146.6-168.300000115.8
296L47.8Very low47.7Very low168 Ų168135.3 Ų135.388%0.8879%0.787SS**  trans-115.1151.2160.4-74.5176.3000109.4
297P52.7Low48.1Very low105 Ų105138.7 Ų138.768%0.68280%0.796SS**  trans-72152.2-158.527.3-35.1000114.9M299P297-M299 PolarHBondContact O-N 3.28Å
298P50.5Low48Very low126 Ų126139.8 Ų139.882%0.81880%0.799SS**  trans-73.2116-175.529.1-32.8000111.6
299M41.8Very low47.4Very low168 Ų168145.1 Ų145.183%0.82880%0.803SS**PPolyproline II helixtrans-73.2143.4165.2-86.6-76.2140.200110.7P297P297-M299 PolarHBondContact O-N 3.28Å
300H44.8Very low47.6Very low161 Ų161143.8 Ų143.875%0.74579%0.794SS**PPolyproline II helixtrans-53.7137.4-161.2-62.2-87.6000116.4Y302H300-Y302 PolarHBondContact O-N 3.39Å
301R38.6Very low47.7Very low251 Ų251144.3 Ų144.395%0.94780%0.797SS**PPolyproline II helixtrans-47.6124.8156.2-96.4-168.8-178.5163.70108.9
302Y44.3Very low46.7Very low210 Ų210147.4 Ų147.482%0.82480%0.804SS**PPolyproline II helixtrans-76.3123.1166.5-113-88.8000109.9H300 M304H300-Y302 PolarHBondContact O-N 3.39Å; Y302-M304 HydrophobicContact CD1-CE 4.23Å; Y302-M304 HydrophobicContact CG-CE 4.35Å
303D44.4Very low46.4Very low133 Ų133149.7 Ų149.771%0.71181%0.806SS**PPolyproline II helixtrans-76.6131.9165.8-1774000109A305D303-A305 PolarHBondContact OD1-N 3.03Å
304M49.1Very low46.1Very low156 Ų156149.1 Ų149.177%0.76880%0.803SS**  trans-100.114.5-173.3-48.4-85.589.600112.5Y302 G306Y302-M304 HydrophobicContact CD1-CE 4.23Å; Y302-M304 HydrophobicContact CG-CE 4.35Å; M304-G306 PolarHBondContact O-N 3.18Å
305A48.8Very low46Very low87 Ų87149.4 Ų149.472%0.71981%0.805SS**  trans-99.666.4-177.400000112.6D303D303-A305 PolarHBondContact OD1-N 3.03Å
306G51.7Low46.8Very low63 Ų63148.5 Ų148.565%0.64981%0.805SS**  trans-156.19.9-173.500000119.8M304M304-G306 PolarHBondContact O-N 3.18Å
307L42Very low47Very low173 Ų173144.7 Ų144.791%0.90680%0.797SS**  trans-125.980.2173-70175.6000111.4Y309L307-Y309 PolarHBondContact O-N 3.36Å
308Q39.9Very low46.5Very low195 Ų195148.1 Ų148.191%0.91180%0.804SS**  trans-68112.5154.4-73.3-172.4-21.200108.3
309Y32Very low46.6Very low225 Ų225147.2 Ų147.288%0.88280%0.801SS**  trans-90.7108.1167.8-146.1-90.2000108.1L307L307-Y309 PolarHBondContact O-N 3.36Å
310S43.1Very low47Very low96 Ų96150.5 Ų150.567%0.67181%0.806SS**  trans-64.9142.8168.1-750000110.7M312S310-M312 PolarHBondContact O-N 3.36Å
311P53.9Low47.5Very low126 Ų126152 Ų15282%0.81882%0.816SS**  trans-80.5108.6-177.331.3-30.4000110.1
312M38.2Very low48.1Very low186 Ų186146.5 Ų146.592%0.91681%0.805SS**  trans-101.190.8164.9-167.9-179.2155.900108.3S310S310-M312 PolarHBondContact O-N 3.36Å
313M56.4Low48.2Very low165 Ų165142.3 Ų142.381%0.81380%0.801SS**  trans-115.5140.6161-84.5-152.87500109.9
314P54.1Low48.4Very low109 Ų109141.3 Ų141.371%0.70881%0.811SS**  trans-72.1151.7174.5-11.727000112.6G316P314-G316 PolarHBondContact O-N 3.28Å
315P51.2Low48.1Very low136 Ų136138.3 Ų138.388%0.88381%0.811SS**SBendtrans-82.6116.2178.832.1-28.9000110.1
316G56.8Low47.8Very low79 Ų79138.6 Ų138.681%0.81481%0.813SS**  trans168.80.1171.900000120.1P314P314-G316 PolarHBondContact O-N 3.28Å
317A51.8Low47.3Very low88 Ų88140.2 Ų140.273%0.72782%0.821SS**SBendtrans-129.629-168.700000116.2
318Q43.8Very low47.2Very low178 Ų178137.1 Ų137.183%0.83282%0.82SS**  trans-123.89.4-179.2-66.9-64.2-16.800116
319S52.5Low47.3Very low107 Ų107132.3 Ų132.375%0.74881%0.814SS**SBendtrans-98.910.3-174.6-66.10000117.1
320Y50.1Low47.5Very low236 Ų236126.2 Ų126.293%0.92581%0.81SS**SBendtrans-108.6-1-176-101.2-86.8000116.9
321M54.2Low47.2Very low193 Ų193127.6 Ų127.695%0.95182%0.819SS**SBendtrans-115.911.3179.7-79-122-148.400114.9
322N52.5Low46.2Very low136 Ų136125 Ų12573%0.72782%0.815SS**SBendtrans-133.326.6-177.1-149.5-11.4000115.4
323V46.7Very low46Very low121 Ų121127.6 Ų127.673%0.73382%0.817SS**SBendtrans-114-9.8174.9177.60000112.8A325V323-A325 PolarHBondContact O-N 2.84Å
324A46.8Very low44.8Very low112 Ų112123.4 Ų123.493%0.92682%0.816SS**THydrogen-bonded Turntrans-86.40.5-178.400000115.2
325A44.4Very low43.6Very low93 Ų93121.7 Ų121.777%0.76982%0.818SS**THydrogen-bonded Turntrans-119.54.4-174.400000115.2V323V323-A325 PolarHBondContact O-N 2.84Å
326A42.7Very low42.8Very low93 Ų93124.5 Ų124.577%0.76982%0.822SS**SBendtrans-13535.9-17300000114.7
327A39.7Very low41.8Very low98 Ų98125 Ų12581%0.8182%0.818SS**  trans-134.645.2177.300000113.2
328A39.8Very low41.9Very low107 Ų107126.7 Ų126.788%0.88482%0.822SS**SBendtrans-125.617.1174.200000113.8
329A43.7Very low41.5Very low94 Ų94123.5 Ų123.578%0.77782%0.819SS**SBendtrans-143.8135.5172.300000110.2
330A36.1Very low40.6Very low98 Ų98122.9 Ų122.981%0.8182%0.821SS**  trans78.994.3176.600000116.5
331S35.6Very low39.9Very low124 Ų124118.6 Ų118.687%0.86782%0.819SS**  173107.7108.1-72.80000109.4
332G32.4Very low38.8Very low71 Ų71113.9 Ų113.973%0.73281%0.811SS**  trans-83140.215600000109.2
333Y35.3Very low37.8Very low242 Ų242111.7 Ų111.795%0.94981%0.812SS**  trans-178.4134.8141.4-118.4-87.8000109.8
334G30.5Very low37Very low77 Ų77110.8 Ų110.879%0.79482%0.817SS**  trans33.8128.5159.700000120.1
335G30Very low36.3Very low73 Ų73110.3 Ų110.375%0.75381%0.813SS**  cis115.1110.637.300000109.2
336M33.4Very low35.6Very low194 Ų194110.8 Ų110.896%0.95682%0.817SS**  trans175.1122.3137.4-130.570.4177.500110.1
337A35.5Very low35.1Very low90 Ų90110.4 Ų110.474%0.74481%0.814SS**  trans-84.2-177.5167.200000110
338P54.5Low34.8Very low124 Ų124116.9 Ų116.981%0.80582%0.819SS**  cis-138.8-174.842.841.1-19.1000113.2
339S35Very low34.5Very low110 Ų110115.3 Ų115.377%0.76981%0.813SS**  cis-165.6158.823.149.40000112.9
340A34.6Very low33.9Very low95 Ų95119.4 Ų119.479%0.78582%0.816SS**  trans62.9123.9156.200000119.3
341T35.1Very low33.5Very low145 Ų145122 Ų12289%0.8981%0.811SS**  -154149.157.6-38.30000112.3
342A31.1Very low34.1Very low94 Ų94121.7 Ų121.778%0.77781%0.806SS**  trans-60.5167.4179.200000114.3
343A30.3Very low34.3Very low91 Ų91122.5 Ų122.575%0.75281%0.806SS**  cis-164.1151.725.100000112.7
344A29.7Very low34.1Very low101 Ų101117.7 Ų117.784%0.83580%0.802SS**  trans51.2113.4140.800000122.4
345A32.1Very low34.1Very low103 Ų103118.6 Ų118.685%0.85180%0.802SS**  -176.5116.2109.900000111.1
346A30.2Very low34Very low103 Ų103120 Ų12085%0.85181%0.807SS**  trans-67.7164.8162.300000109.2
347A32.4Very low33.9Very low84 Ų84115.8 Ų115.869%0.69480%0.802SS**  cis-162.7163.29.200000103.5
348Y34Very low33.5Very low235 Ų235116.3 Ų116.392%0.92281%0.806SS**  172.1138.556.4-154.6-95.8000106.3
349G32.1Very low32.2Very low73 Ų73115 Ų11575%0.75381%0.806SS**  trans103.294.5147.900000121.7
350Q31Very low31.8Very low180 Ų180114.3 Ų114.384%0.84181%0.807SS**  trans-63.5139.3153.3-74.5-114.867.800111.9
351Q27.8Very low31.5Very low154 Ų154114.7 Ų114.772%0.7281%0.81SS**  54.7158.286.4-75.7-77.4-14.500114.8
352P49.9Very low31.3Very low116 Ų116112.9 Ų112.975%0.75381%0.81SS**  cis-141.5-173.5-0.925.51.8000116.7
353A34.8Very low31.3Very low88 Ų88113 Ų11373%0.72781%0.811SS**  trans-58.4162.8-177.100000120
354T32.1Very low31.4Very low142 Ų142112.6 Ų112.687%0.87181%0.808SS**  trans-150132137.547.80000113.8
355A30.6Very low31.7Very low95 Ų95116.1 Ų116.179%0.78581%0.809SS**  trans42.4116.6139.400000123.6
356A28.6Very low31.9Very low104 Ų104115.8 Ų115.886%0.8680%0.801SS**  40.6118.2120.600000121.1
357A30.8Very low32.2Very low104 Ų104119 Ų11986%0.8680%0.803SS**  trans-165.5133132.300000110.7
358A27.7Very low32.4Very low101 Ų101118.5 Ų118.584%0.83581%0.805SS**  trans-77.6145.7169.700000110.9
359A27.2Very low33.6Very low96 Ų96113 Ų11379%0.79380%0.798SS**  trans164.1129.213100000112.2
360A26.8Very low33.9Very low97 Ų97118.4 Ų118.480%0.80281%0.806SS**  trans67.2134134.600000122.1
361A27.8Very low34.1Very low102 Ų102113.7 Ų113.784%0.84381%0.806SS**  trans79.9108.4140.200000118.7
362A31.5Very low34.4Very low108 Ų108111.4 Ų111.489%0.89381%0.807SS**  trans-143.3112.3140.200000109.2
363A30Very low33.9Very low95 Ų95112 Ų11279%0.78581%0.808SS**  trans-93153.7171.700000110.2
364A31.7Very low34Very low84 Ų84114.8 Ų114.869%0.69482%0.815SS**  trans64153.9155.200000116.1
365M37.8Very low34.2Very low174 Ų174117 Ų11786%0.85781%0.813SS**  cis-155.214131.8-32.4-145.68000108.4
366S35.2Very low34.6Very low97 Ų97117.6 Ų117.668%0.67881%0.812SS**  86.3112.697.7-173.30000116.9
367L37Very low35.1Very low171 Ų171120.3 Ų120.390%0.89581%0.806SS**  trans43.9124.6133.5-54.3166.9000118.7
368G35.9Very low36.1Very low72 Ų72121.4 Ų121.474%0.74281%0.805SS**  155-177.169.400000112.3
369P60.4Low36.8Very low119 Ų119121 Ų12177%0.77380%0.796SS**  trans-114.7175.8-131.440.7-32.8000115.4
370M37.5Very low37.4Very low188 Ų188121.9 Ų121.993%0.92680%0.796SS**  trans-175.6131.2139.7-81.1-33-150.200114.5
371G34.2Very low38.4Very low80 Ų80122.6 Ų122.683%0.82579%0.793SS**  trans79.4142.7147.600000118.4
372S36Very low39.2Very low107 Ų107123.2 Ų123.275%0.74879%0.788SS**  cis-175.3130.791590000109.3
373V38.8Very low39.8Very low129 Ų129123.7 Ų123.778%0.78278%0.782SS**  trans53.4115141.2-174.20000120.2
374V37.6Very low40.1Very low145 Ų145124 Ų12488%0.87979%0.785SS**  -161156.4120.8140.90000110.3
375K35.6Very low40.4Very low188 Ų188126.7 Ų126.782%0.81779%0.786SS**  trans-96.5150.9-143.8-173.7164.3170.3168.70113
376S39.2Very low40.5Very low108 Ų108122.4 Ų122.476%0.75578%0.778SS**  trans-42.3146.6179.736.70000119.5
377E39Very low40.8Very low161 Ų161123.7 Ų123.775%0.75279%0.787SS**  trans-56.1160.1166.7-167.2-175.3127.700114.8
378P51.8Low41.4Very low127 Ų127122 Ų12283%0.82578%0.775SS**  trans-126.3136.113135.7-27.2000113.8
379S41.8Very low41.6Very low94 Ų94123.2 Ų123.266%0.65777%0.771SS**  trans-64139.6-178.7179.90000115.1
380S39.2Very low40.7Very low113 Ų113126.9 Ų126.979%0.7978%0.778SS**  trans-178.8158141.3-86.30000112.1
381P48.6Very low41Very low113 Ų113126.1 Ų126.173%0.73477%0.765SS**PPolyproline II helix-92166.6-124.337-38.6000116
382P45.6Very low41.5Very low115 Ų115126.6 Ų126.675%0.74776%0.761SS**PPolyproline II helixtrans-78145.6-177.832.2-33.6000112
383P43Very low41.8Very low118 Ų118127 Ų12777%0.76676%0.762SS**PPolyproline II helixtrans-68.4135.9163.729.6-31.2000109I385P383-I385 PolarHBondContact O-N 3.15Å
384A36.8Very low42.2Very low102 Ų102127.4 Ų127.484%0.84376%0.76SS**  trans-48.2114.917900000111A386A384-A386 VanDerWaalsContact C-N 3.27Å; A384-A386 PolarHBondContact O-N 3.33Å
385I38.1Very low43Very low140 Ų140124 Ų12472%0.71875%0.753SS**  trans-6893.5166.7-21.3175.6000105.4P383 S387P383-I385 PolarHBondContact O-N 3.15Å; I385-S387 PolarHBondContact O-N 3.39Å; I385-S387 VanDerWaalsContact O-N 3.17Å
386A40.2Very low44.2Very low84 Ų84118.7 Ų118.769%0.69473%0.734SS**  trans-54.4122158.600000106.4A384 H388A384-A386 VanDerWaalsContact C-N 3.27Å; A384-A386 PolarHBondContact O-N 3.33Å; A386-H388 VanDerWaalsContact C-N 3.29Å; A386-H388 PolarHBondContact O-N 3.07Å
387S41.4Very low45.2Very low124 Ų124116.4 Ų116.487%0.86771%0.713SS**SBendtrans-45.786.6178.4-67.90000112.4I385I385-S387 PolarHBondContact O-N 3.39Å; I385-S387 VanDerWaalsContact O-N 3.17Å
388H49.4Very low46.3Very low136 Ų136117.1 Ų117.163%0.6371%0.709SS**  trans-129.36.6170.4-133.969.2000113A386A386-H388 VanDerWaalsContact C-N 3.29Å; A386-H388 PolarHBondContact O-N 3.07Å
389S39.8Very low47.3Very low96 Ų96116.7 Ų116.767%0.67170%0.7SS**THydrogen-bonded Turntrans-92.6-7.3-179.8-410000113.4
390Q41.3Very low48.7Very low197 Ų197114.7 Ų114.792%0.92168%0.681SS**THydrogen-bonded Turntrans-92.41.2172.3-68.6-148.4-000114
391R44.3Very low50Low172 Ų172112.1 Ų112.165%0.64966%0.658SS**SBendtrans-100.23.3-175.7-147.1174.6179.8157.5-0.5114.7
392A43.1Very low51Low90 Ų90109.4 Ų109.474%0.74464%0.641SS**SBendtrans-85.7-6.8-176.700000114.5
393C43.2Very low52.1Low114 Ų114109 Ų10977%0.7763%0.63SS**SBendtrans-110.3-10.4-172.4-54.10000114.5
394L46.3Very low52.5Low139 Ų139107.4 Ų107.473%0.72861%0.61SS**  trans-132.285.2175.5-62.5174.5000107.2D396L394-D396 PolarHBondContact O-N 2.9Å
395G55.3Low53.6Low72 Ų72108.3 Ų108.374%0.74260%0.6SS**  trans-57.588.9151.900000106.4
396D59.9Low53.9Low78 Ų78107.1 Ų107.142%0.41760%0.601SS.*  trans-58.4137.1-158-170.21000109.5L394 R398 D399 M400L394-D396 PolarHBondContact O-N 2.9Å; D396-R398 HydrophobicContact CB-CB 4.39Å; D396-R398 CarbonylContact O-C 3.55Å; D396-R398 PolarHBondContact O-N 3.04Å; D396-D399 PolarHBondContact O-N 3.17Å; D396-M400 PolarHBondContact O-N 2.97Å
397L62Low54.4Low60 Ų60109.8 Ų109.831%0.31461%0.611SS.*Hα-helixtrans-45.2-29.7175.2174.171.6000112.1P187 F188 M400 I401P187-L397 HydrophobicContact CB-CD1 3.86Å; P187-L397 HydrophobicContact CB-CD2 3.2Å; P187-L397 HydrophobicContact CB-CG 4.12Å; P187-L397 HydrophobicContact CG-CD1 4.03Å; P187-L397 HydrophobicContact CG-CD2 3.74Å; F188-L397 HydrophobicContact CE1-CD1 3.91Å; F188-L397 HydrophobicContact CE2-CD1 4.39Å; F188-L397 HydrophobicContact CZ-CD1 3.71Å; L397-M400 PolarHBondContact O-N 3.32Å; L397-I401 HydrophobicContact CD1-CD1 3.98Å; L397-I401 HydrophobicContact CD1-CG1 4.35Å; L397-I401 HydrophobicContact CD2-CD1 4.29Å; L397-I401 HydrophobicContact CG-CD1 3.74Å; L397-I401 HydrophobicContact CG-CG1 4.43Å; L397-I401 WeakPolarHBondContact O-CB 3.5Å; L397-I401 VanDerWaalsContact O-CG1 3.27Å; L397-I401 WeakPolarHBondContact O-CG1 3.43Å; L397-I401 PolarHBondContact O-N 3.44Å
398R62Low54.6Low175 Ų175107.6 Ų107.666%0.6661%0.608SS**Hα-helixtrans-55.7-45.2171.2-154.8167.2-168.9-101.21.4113.2D396 I401 S402D396-R398 HydrophobicContact CB-CB 4.39Å; D396-R398 CarbonylContact O-C 3.55Å; D396-R398 PolarHBondContact O-N 3.04Å; R398-I401 PolarHBondContact O-N 3.09Å; R398-S402 WeakPolarHBondContact O-CA 3.4Å; R398-S402 WeakPolarHBondContact O-CB 3.24Å; R398-S402 PolarHBondContact O-N 3.28Å; R398-S402 PolarHBondContact O-OG 3.09Å
399D72Confident54.5Low118 Ų118104.4 Ų104.463%0.63161%0.613SS**Hα-helixtrans-68.4-36.5176.3-1057.6000112.5D396 I401 S402 M403D396-D399 PolarHBondContact O-N 3.17Å; D399-I401 VanDerWaalsContact C-N 3.32Å; D399-I401 PolarHBondContact O-N 3.27Å; D399-S402 PolarHBondContact O-N 3.32Å; D399-M403 PolarHBondContact O-N 3.42Å; D399-M403 VanDerWaalsContact O-N 3.12Å
400M71.1Confident54.5Low53 Ų53107.8 Ų107.826%0.26162%0.623SS.*Hα-helixtrans-67-35.5177.5-161.1-175.9-43.600112F188 D396 L397 Y404F188-M400 HydrophobicContact CE1-SD 3.8Å; F188-M400 HydrophobicContact CZ-CE 4.31Å; F188-M400 HydrophobicContact CZ-SD 3.84Å; D396-M400 PolarHBondContact O-N 2.97Å; L397-M400 PolarHBondContact O-N 3.32Å; M400-Y404 WeakPolarHBondContact O-CD2 3.19Å; M400-Y404 WeakPolarHBondContact O-CE2 3.49Å
401I67.7Low54.5Low59 Ų59103 Ų10330%0.30362%0.617SS.*Hα-helixtrans-80.8-37.7174.7-64.3170.8000110.9L397 R398 D399 M403 Y404L397-I401 HydrophobicContact CD1-CD1 3.98Å; L397-I401 HydrophobicContact CD1-CG1 4.35Å; L397-I401 HydrophobicContact CD2-CD1 4.29Å; L397-I401 HydrophobicContact CG-CD1 3.74Å; L397-I401 HydrophobicContact CG-CG1 4.43Å; L397-I401 WeakPolarHBondContact O-CB 3.5Å; L397-I401 VanDerWaalsContact O-CG1 3.27Å; L397-I401 WeakPolarHBondContact O-CG1 3.43Å; L397-I401 PolarHBondContact O-N 3.44Å; R398-I401 PolarHBondContact O-N 3.09Å; D399-I401 VanDerWaalsContact C-N 3.32Å; D399-I401 PolarHBondContact O-N 3.27Å; I401-M403 VanDerWaalsContact C-N 3.29Å; I401-M403 PolarHBondContact O-N 3.31Å; I401-Y404 WeakPolarHBondContact O-CA 3.46Å; I401-Y404 WeakPolarHBondContact O-CB 3.5Å; I401-Y404 PolarHBondContact O-N 3.4Å
402S68.7Low54.4Low56 Ų5699.4 Ų99.439%0.39262%0.624SS.*Hα-helixtrans-65.4-26.2179.6-710000113.3R398 D399 Y404 L405R398-S402 WeakPolarHBondContact O-CA 3.4Å; R398-S402 WeakPolarHBondContact O-CB 3.24Å; R398-S402 PolarHBondContact O-N 3.28Å; R398-S402 PolarHBondContact O-OG 3.09Å; D399-S402 PolarHBondContact O-N 3.32Å; S402-Y404 PolarHBondContact O-N 3.23Å; S402-L405 PolarHBondContact O-N 3.31Å; S402-L405 VanDerWaalsContact O-N 3.15Å
403M69.6Low54.1Low105 Ų105102.8 Ų102.852%0.51763%0.63SS.*THydrogen-bonded Turntrans-58.6-10.3166.2-88.5-134.5-56.400114.2R155 D399 I401R155-M403 PolarHBondContact NH1-SD 3.28Å; D399-M403 PolarHBondContact O-N 3.42Å; D399-M403 VanDerWaalsContact O-N 3.12Å; I401-M403 VanDerWaalsContact C-N 3.29Å; I401-M403 PolarHBondContact O-N 3.31Å
404Y50.8Low54Low86 Ų86101.6 Ų101.634%0.33763%0.628SS.*THydrogen-bonded Turntrans-113.80.6178.4-63.2-75.8000114.5R151 M400 I401 S402R151-Y404 WeakPolarHBondContact CB-OH 3.44Å; R151-Y404 WeakPolarHBondContact CD-OH 3.47Å; R151-Y404 HydrophobicContact CG-CE1 4.43Å; R151-Y404 WeakPolarHBondContact CG-OH 3.16Å; M400-Y404 WeakPolarHBondContact O-CD2 3.19Å; M400-Y404 WeakPolarHBondContact O-CE2 3.49Å; I401-Y404 WeakPolarHBondContact O-CA 3.46Å; I401-Y404 WeakPolarHBondContact O-CB 3.5Å; I401-Y404 PolarHBondContact O-N 3.4Å; S402-Y404 PolarHBondContact O-N 3.23Å
405L58.7Low53.4Low121 Ų12199.8 Ų99.863%0.63463%0.633SS**SBendtrans-112.3130.6175.1-124.168000109.6S402S402-L405 PolarHBondContact O-N 3.31Å; S402-L405 VanDerWaalsContact O-N 3.15Å
406P44.8Very low52.5Low114 Ų114101.7 Ų101.774%0.7464%0.635SS**  trans-60.5139.9178.423.3-31.1000110.7G408P406-G408 PolarHBondContact O-N 3.49Å; P406-G408 VanDerWaalsContact O-N 3.08Å
407P51.7Low51.8Low140 Ų140104.2 Ų104.291%0.90966%0.656SS**  trans-73.7104.7-17729.7-31.7000108.7
408G44.3Very low50.7Low78 Ų78109.1 Ų109.180%0.80468%0.681SS**  trans-168.195179.500000112.7P406P406-G408 PolarHBondContact O-N 3.49Å; P406-G408 VanDerWaalsContact O-N 3.08Å
409G47.6Very low49.9Very low70 Ų70107.2 Ų107.272%0.72269%0.692SS**  trans125.988.4157.400000114.8
410D39.6Very low48Very low167 Ų167105.4 Ų105.489%0.89370%0.701SS**  trans-142.6134.3142.7-80.5-47.6000107.6
411A41.7Very low46.3Very low96 Ų96106.6 Ų106.679%0.79373%0.727SS**  trans-108.8155.7-165.700000112.9
412A42.8Very low44.7Very low97 Ų97114.5 Ų114.580%0.80275%0.753SS**  trans65.7137.9162.100000117.1
413D37.1Very low43.3Very low161 Ų161120.1 Ų120.186%0.86178%0.778SS**  -157.4170.452.7-147.3-64.9000113.3
414A39.5Very low42.1Very low88 Ų88122.8 Ų122.873%0.72779%0.789SS**  trans-82.4158.5-163.800000116.9
415A34Very low41.5Very low102 Ų102122 Ų12284%0.84381%0.807SS**  176.3125.1128.800000111.3
416S37.9Very low40.5Very low112 Ų112122.3 Ų122.378%0.78381%0.813SS**  trans-76.9168.8174.5-50.80000112.8
417P44.9Very low39.8Very low131 Ų131126 Ų12685%0.85182%0.82SS**  -141.8156.684.132.5-13.1000116
418L37.7Very low39.2Very low162 Ų162126.7 Ų126.785%0.84881%0.811SS**  trans-66.2167.2178-58.6166.9000113.3
419P45.5Very low38.7Very low136 Ų136130.8 Ų130.888%0.88381%0.809SS**  -146.7159.279.736.4-17.3000115.9
420G32.2Very low37.9Very low80 Ų80136.8 Ų136.883%0.82581%0.812SS**  trans133.784.6154.700000116.1
421G35.7Very low37.8Very low78 Ų78136.8 Ų136.880%0.80481%0.806SS**  trans-83.8156173.600000114.4
422R32.9Very low37.3Very low224 Ų224135.4 Ų135.485%0.84580%0.801SS**  trans-163.2101.5146.6-135.1177.4-159.2-137.82.3110.8
423L41.2Very low37Very low175 Ų175136.3 Ų136.392%0.91681%0.809SS**  trans-99.6128.5159.8-62.4175.4000107.8
424H44.3Very low36.7Very low161 Ų161131.7 Ų131.775%0.74580%0.799SS**  trans-142.1133.8159.3-78.154.8000103.4
425G36.3Very low36.8Very low69 Ų69134.3 Ų134.371%0.71181%0.806SS**  cis123.59319.700000109.6
426V37.7Very low37.1Very low127 Ų127133.5 Ų133.577%0.7780%0.799SS**  trans68.1122.8146.6-173.70000120.7
427H31.2Very low37.4Very low193 Ų193134.6 Ų134.689%0.89480%0.801SS**  -147.8128.1126-110.571.5000111.6
428Q38.2Very low37.2Very low154 Ų154136 Ų13672%0.7280%0.802SS**  trans-101.8172175.7-89.2-83.539.900110.3
429H34.5Very low37.2Very low163 Ų163131.5 Ų131.576%0.75579%0.794SS**  trans98.2130.3170.8-67.3-89.8000115.3
430Y30.7Very low37.1Very low197 Ų197131.3 Ų131.377%0.77379%0.791SS**  cis-157.3159.624.9-150.1-95.1000112.1
431Q38Very low37.9Very low166 Ų166133.6 Ų133.678%0.77679%0.788SS**  trans-40.8163.3168.9-90127.5-36.100116.6
432G31.9Very low38.9Very low67 Ų67135.4 Ų135.469%0.69179%0.786SS**  cis152.9172.213.800000110.4
433A34.7Very low39.4Very low116 Ų116131.9 Ų131.996%0.95978%0.783SS**  trans71143.6171.900000117.1
434G32.5Very low40Very low64 Ų64129.7 Ų129.766%0.6678%0.777SS**  cis172.8150.33.800000108.4
435T41.7Very low40.1Very low143 Ų143130.6 Ų130.688%0.87778%0.781SS**  trans32.9127.2149.462.50000120.9
436A39.2Very low40.7Very low85 Ų85138.7 Ų138.770%0.70281%0.806SS**  168.2132.711700000114.7
437V44.1Very low40.9Very low135 Ų135139.3 Ų139.382%0.81881%0.808SS**  trans56.6118.3138.7-520000120.6
438N40.8Very low41.4Very low162 Ų162136.5 Ų136.587%0.86680%0.803SS**  82.8130.156.3-150.1-18.7000114.3
439G37.3Very low41.6Very low67 Ų67135.5 Ų135.569%0.69181%0.808SS**  trans123.291.8172.500000113.5
440T44Very low42Very low132 Ų132133.9 Ų133.981%0.8181%0.811SS**  57.3117.476.2-54.70000115.1
441V48.9Very low42.7Very low127 Ų127129.9 Ų129.977%0.7781%0.813SS**  trans-41.1161.9169.7-124.30000115
442P56.9Low43Very low117 Ų117127.5 Ų127.576%0.7682%0.816SS**  -157161.66940.2-17.5000119.6
443L43.4Very low43.8Very low150 Ų150131.9 Ų131.979%0.78583%0.825SS**  41.3125.6128.4-151.474.9000121
444T54.3Low44.5Very low128 Ų128133.1 Ų133.179%0.78582%0.815SS**  162.6149.4112.941.10000113
445H46.2Very low45.5Very low180 Ų180138.8 Ų138.883%0.83383%0.827SS**  trans-49.1149.4175.3-75.1-78.2000115.5
446I49.3Very low45.8Very low240 Ų240138.5 Ų138.5100%1.23182%0.823SS**  -147.90121.7-94.5155.2000108.1

Retrieved 446 of 446 residues in 594.6 ms (Link to these results)