A0A096NBX8_PAPAN Loading...

SRY-box transcription factor 5

AlphaFold DB (P35711), UniProt , Accession A0A096NBX8, Species PAPAN (Papio anubis, Olive baboon), Gene SOX5, Length 763 aa.

Structure Viewer
Loading PAE data...
(Predicted Aligned Error values between residue pairs)
Error loading PAE data: please refresh the page.

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
1M43.4Very low43.6Very low228 Ų228157.5 Ų157.5100%1.12382%0.822SS**  01180-78.4-60.3-170.400106.7
2L44.4Very low42.9Very low155 Ų155159.9 Ų159.981%0.81283%0.826SS**  trans57.7106.7-173.8-67.370.9000113.6
3T46.8Very low42.5Very low122 Ų122166.3 Ų166.375%0.74883%0.833SS**  7391.151.574.10000114.9
4D51.3Low41.9Very low148 Ų148166.1 Ų166.179%0.79183%0.831SS**  24153.1103.6-76.7-67.2000119.3
5P54.5Low41.6Very low116 Ų116163 Ų16375%0.75383%0.831SS**  cis-155.1160.342.846.7-26.5000122.1
6D43.6Very low41.3Very low134 Ų134159.3 Ų159.372%0.71783%0.825SS**  trans86.2149.1132.8-115.1-30000127.3
7L49.7Very low41.5Very low144 Ų144160.8 Ų160.875%0.75482%0.824SS**  trans68.6144.3155.8-64.1169.2000121
8P39.6Very low41.7Very low108 Ų108164.7 Ų164.770%0.70183%0.826SS**  -138.6146.1-60.433.7-15000116E10P8-E10 PolarHBondContact O-N 3.15Å
9Q34.1Very low42.3Very low189 Ų189162.9 Ų162.988%0.88383%0.827SS**  trans1196.4141.5-166.7174.32000120.4
10E38.4Very low42.4Very low186 Ų186159.6 Ų159.687%0.86983%0.826SS**  trans-13677.6157.2-101-77.6130.800109.7P8P8-E10 PolarHBondContact O-N 3.15Å
11F33.6Very low42.4Very low203 Ų203156.1 Ų156.189%0.8982%0.815SS**  trans-140.1160.5171.3-102.8-96.2000109.8
12E36Very low42.8Very low186 Ų186151.4 Ų151.487%0.86980%0.802SS**  trans66.878.3-174.9-61.2-149.7135.600117.4
13R37.3Very low42.6Very low243 Ų243154 Ų15492%0.91780%0.803SS**  trans-155.1162.6142.5-107.8152.2-170.7162.84.1111
14M34.6Very low42.2Very low163 Ų163151.4 Ų151.480%0.80380%0.8SS**  trans72.149.7178.7-57.1-174.1-77.300117.8
15S37.4Very low41.4Very low120 Ų120153.4 Ų153.484%0.83981%0.805SS**  trans-70.9154.2147.6-174.30000110.8
16S36.3Very low41Very low104 Ų104152.5 Ų152.573%0.72781%0.807SS**  trans58.188.9171.9-160.50000117.6
17K44.4Very low40.7Very low185 Ų185154.3 Ų154.380%0.80482%0.816SS**  trans-125.6118.6151.5-79.6-179.8177170.30109.4
18R45.6Very low40.7Very low230 Ų230150.5 Ų150.587%0.86881%0.812SS**PPolyproline II helixtrans-66.4148.4176.2-61.3-179.4-175.6178.51.6110A20R18-A20 PolarHBondContact O-N 2.72Å
19P53Low40.4Very low131 Ų131154.4 Ų154.485%0.85182%0.821SS**PPolyproline II helixtrans-64.2128167.828.3-33.3000109.5
20A43.5Very low40.9Very low97 Ų97152 Ų15280%0.80282%0.819SS**PPolyproline II helixtrans-74145.5177.200000111.4R18R18-A20 PolarHBondContact O-N 2.72Å
21S43.4Very low40.9Very low86 Ų86147.3 Ų147.360%0.60181%0.812SS**PPolyproline II helixtrans-62.7141170176.40000110.6Y23S21-Y23 WeakPolarHBondContact CB-O 3.27Å; S21-Y23 PolarHBondContact O-N 2.64Å; S21-Y23 PolarHBondContact OG-N 3.19Å; S21-Y23 PolarHBondContact OG-O 3.02Å
22P52Low41.5Very low130 Ų130146.8 Ų146.884%0.84482%0.815SS**SBendtrans-78.8-3.6168.734.1-34.8000113.2
23Y38.7Very low41.7Very low209 Ų209143.2 Ų143.282%0.8281%0.806SS**  trans-108.8123.5168.6-84.5-100.5000109.9S21S21-Y23 WeakPolarHBondContact CB-O 3.27Å; S21-Y23 PolarHBondContact O-N 2.64Å; S21-Y23 PolarHBondContact OG-N 3.19Å; S21-Y23 PolarHBondContact OG-O 3.02Å
24G39.5Very low42.1Very low68 Ų68138.5 Ų138.570%0.70180%0.804SS**  trans-156.2133.6164.400000107.4
25E35.2Very low42Very low190 Ų190135.6 Ų135.689%0.88880%0.8SS**  trans-62.9148.9-179-68.2114.5132.100112.4
26A45.8Very low42.1Very low96 Ų96142 Ų14279%0.79381%0.805SS**  trans-136.687.3166.400000107.4G28A26-G28 PolarHBondContact O-N 3.25Å
27D36.3Very low42.1Very low172 Ų172145.2 Ų145.292%0.9281%0.809SS**  trans-55.6125.8163.6-79.3-51.3000108.6
28G50.1Low41.6Very low65 Ų65144.3 Ų144.367%0.6781%0.805SS**  trans-168.363-164.200000110.4A26 V30A26-G28 PolarHBondContact O-N 3.25Å; G28-V30 PolarHBondContact O-N 2.88Å; G28-V30 VanDerWaalsContact O-N 3.16Å
29E34.1Very low41.7Very low190 Ų190138 Ų13889%0.88879%0.792SS**  trans-61.1110.7-176.8-174.5178.8-145.600111.9
30V44.6Very low40.7Very low139 Ų139138.6 Ų138.684%0.84278%0.783SS**  trans-141.695.6161.2-870000108.6G28G28-V30 PolarHBondContact O-N 2.88Å; G28-V30 VanDerWaalsContact O-N 3.16Å
31A38.1Very low40.6Very low87 Ų87142.1 Ų142.172%0.71978%0.783SS**  trans-73.8141177.600000111.6
32M45.6Very low40.4Very low191 Ų191147.5 Ų147.594%0.94180%0.799SS**  trans-134.6131.4154-94.8-62.7-168.400108.7
33V40.2Very low39.6Very low112 Ų112150.3 Ų150.368%0.67980%0.8SS**  trans-93.3128.8-167.5171.30000111.3
34T45.9Very low39.7Very low144 Ų144146.1 Ų146.188%0.88380%0.802SS**  trans-136.897.4149.752.20000109
35S33.3Very low39.5Very low102 Ų102151.3 Ų151.371%0.71381%0.814SS**  trans-81.3135.9-179.9-60.40000112.1
36R38.6Very low39.6Very low254 Ų254146 Ų14696%0.95881%0.809SS**  trans-14988.3140.6-117.1175.6-173.2-144.2-2.5112.1
37Q37.3Very low39.1Very low171 Ų171149.5 Ų149.580%0.79981%0.814SS**  trans-9.4120.1155.1-176.7174.9-11.800116.2V39Q37-V39 HydrophobicContact CG-CG2 4Å
38K32.7Very low39.1Very low166 Ų166146.7 Ų146.772%0.72281%0.805SS**  trans-91.8130.4156.4-174.7-167.9-176.8-167.10107.4E40K38-E40 HydrophobicContact CD-CG 4.13Å; K38-E40 WeakPolarHBondContact CE-OE1 3.38Å; K38-E40 HydrophobicContact CG-CG 4.45Å; K38-E40 IonicContact NZ-OE1 3.12Å; K38-E40 PolarHBondContact NZ-OE1 2.85Å
39V46.9Very low38.2Very low97 Ų97147.9 Ų147.959%0.58881%0.808SS**  trans-105.5139.3163.5-1800000107.3Q37Q37-V39 HydrophobicContact CG-CG2 4Å
40E33.2Very low38.1Very low145 Ų145148.7 Ų148.768%0.67881%0.809SS**  trans-118.3113.8170.5-64.7175.9143.800106.1K38K38-E40 HydrophobicContact CD-CG 4.13Å; K38-E40 WeakPolarHBondContact CE-OE1 3.38Å; K38-E40 HydrophobicContact CG-CG 4.45Å; K38-E40 IonicContact NZ-OE1 3.12Å; K38-E40 PolarHBondContact NZ-OE1 2.85Å
41E41.4Very low37.4Very low171 Ų171150.5 Ų150.580%0.79981%0.808SS**  trans-156.6117.3168.9-125.7153.8-143.700111.7
42E39.5Very low37.7Very low198 Ų198152.7 Ų152.793%0.92581%0.807SS**  trans57.4161154-60.3-163.2115.200123.1
43E34Very low37.3Very low189 Ų189149.3 Ų149.388%0.88380%0.8SS**  trans-118.3126.8-163.1176.3178.6106.100109.3
44S41.3Very low37Very low121 Ų121151.6 Ų151.685%0.84681%0.807SS**  trans-161.2145.2169.3-84.50000112
45D35.2Very low36.4Very low178 Ų178153.1 Ų153.195%0.95280%0.804SS**  trans-63.2139.3-173.2-74-71.7000114.7
46G37.1Very low36.4Very low77 Ų77153.7 Ų153.779%0.79480%0.803SS**  trans177.458.2179.200000116.6
47L35.8Very low36.2Very low170 Ų170146.5 Ų146.589%0.8979%0.792SS**  trans-68.5152.6162.9-74.7178.4000110.4
48P36.7Very low36.3Very low113 Ų113147.6 Ų147.673%0.73479%0.794SS**  cis-135.6179.636.241.6-24000117
49A30.5Very low36.5Very low90 Ų90145.9 Ų145.974%0.74480%0.8SS**  trans-73.5157.9-179.100000114.2
50F32.6Very low36Very low207 Ų207146.9 Ų146.991%0.90880%0.802SS**  trans-119.9142.1159-85.8-83.2000111.5
51H30.4Very low36.2Very low177 Ų177149.5 Ų149.582%0.81981%0.811SS**  trans-96164.8-169.9179.5-88.9000110.8
52L43.5Very low36.4Very low133 Ų133146.2 Ų146.270%0.69681%0.805SS**  trans-60.7163.1169.7-81.872.7000110.6
53P36.6Very low36.4Very low120 Ų120145.5 Ų145.578%0.77980%0.801SS**  -143.4143.1108.333.1-18.1000114.8
54L33.7Very low36.6Very low160 Ų160139.8 Ų139.884%0.83878%0.782SS**  trans-87.5125.8152.1-68.8166.1000107.5
55H33.4Very low36.7Very low177 Ų177142.1 Ų142.182%0.81978%0.78SS**  trans-156.7162.3157.2-145.1-101.5000113.8
56V34.6Very low36.7Very low113 Ų113140 Ų14069%0.68576%0.764SS**  trans-128.5147-175.5175.50000109.1
57S33.6Very low36.8Very low104 Ų104144.2 Ų144.273%0.72776%0.761SS**  trans-171.8158.6153.4-87.80000114.1
58F40.1Very low36.7Very low193 Ų193143.7 Ų143.785%0.84675%0.754SS**  trans-98178.6-179.3-67.5-99000112.8
59P37.2Very low36.7Very low131 Ų131143.4 Ų143.485%0.85175%0.752SS**  trans-126.8170.3130.837.2-29.9000114.3
60N34.5Very low37.1Very low117 Ų117145.6 Ų145.663%0.62676%0.756SS**  trans-141.2148.1-163.71731.1000111.4
61K38.5Very low37.1Very low200 Ų200141 Ų14187%0.8775%0.749SS**  trans-166.5157.8151.2-105.4143.9-174.1175.80114.5
62P45.1Very low37.5Very low103 Ų103140 Ų14067%0.66975%0.749SS**  trans-136.3174.6-144.145.2-30.3000118.8
63H39.4Very low37.2Very low182 Ų182140.2 Ų140.284%0.84375%0.75SS**  trans175.4163.6153.6-106.2-72000109.2
64S38.4Very low37.1Very low69 Ų69139.8 Ų139.848%0.48375%0.745SS.*  cis-164.5149.8-12.5-1480000109.6
65E43Very low37.3Very low171 Ų171141 Ų14180%0.79975%0.747SS**  trans54.8157.7151.6-69.1151.3141.900120.9
66E36.6Very low37.2Very low134 Ų134141 Ų14163%0.62675%0.747SS**  cis-163.9160.3-31.1-165.4-178.8176.500110.1
67F38Very low37.3Very low164 Ų164142.5 Ų142.572%0.71976%0.757SS**  trans71.2153.6169.6-48.4-81.4000119.5
68Q34.9Very low37.2Very low160 Ų160142.8 Ų142.875%0.74876%0.758SS**  cis-165.5144.6-27.2-100.5-79.2-9.600108.4
69P35.4Very low37Very low107 Ų107137.2 Ų137.270%0.69576%0.755SS**  trans-107.2168.6179.739.6-34.2000115.4
70V39.5Very low36.7Very low136 Ų136139.3 Ų139.382%0.82475%0.753SS**  trans-141.1141173-175.50000111.6
71S32.2Very low36.7Very low111 Ų111145.4 Ų145.478%0.77677%0.767SS**  trans-139.1131-179.8-56.50000113.4
72L39Very low36.3Very low154 Ų154142 Ų14281%0.80676%0.763SS**  trans-161155.9167.8-94.4111.8000109
73L37Very low36.3Very low139 Ų139143 Ų14373%0.72877%0.77SS**  cis-170.9141.8-24.2-17864.7000108.5
74T35.4Very low35.8Very low110 Ų110140.9 Ų140.968%0.67577%0.77SS**  trans24.6133.9151.6-47.30000119.6
75Q36.7Very low35.7Very low186 Ų186142.7 Ų142.787%0.86978%0.782SS**  -173.6154.877.7-164154.486.100114.7
76E32.3Very low35.3Very low177 Ų177143.1 Ų143.183%0.82778%0.784SS**  trans-90.1164.2175.2-50.4-177128.500113.2
77T37.1Very low35.3Very low144 Ų144144.6 Ų144.688%0.88379%0.791SS**  trans-165.8145.6140.4-79.20000111.1
78C31Very low35.1Very low111 Ų111142.7 Ų142.775%0.7579%0.788SS**  trans-93.4154.7179.7-176.90000112.8
79G35.9Very low35.1Very low76 Ų76140.4 Ų140.478%0.78479%0.785SS**  trans-166.5105.7171.500000115.7
80H30.4Very low35.2Very low175 Ų175143.1 Ų143.181%0.8179%0.791SS**  trans-87.9142.7165.3-64.7-89000111.4
81R34Very low34.6Very low245 Ų245145.8 Ų145.893%0.92579%0.794SS**  trans-174.8146.6138.1-106.4170.5-147.1-100.95.1113
82T31.1Very low35.1Very low129 Ų129146.8 Ų146.879%0.79180%0.795SS**  trans-97.8157.2159.244.40000110.5
83P45.1Very low34.7Very low124 Ų124146.1 Ų146.181%0.80579%0.793SS**  trans-117.1147.2158.436.1-26.4000112.7
84T29.3Very low34.8Very low137 Ų137143 Ų14384%0.8479%0.793SS**  trans-141.9123.4170.1-62.50000109.3
85S35.4Very low34.8Very low106 Ų106144.1 Ų144.174%0.74180%0.795SS**  trans-160.3109.3168.5-170.40000107.2
86Q35Very low35Very low181 Ų181143.5 Ų143.585%0.84679%0.79SS**  57.7108.383.6-67-168.337.700114.7
87H37.4Very low35.4Very low164 Ų164140.4 Ų140.476%0.75978%0.783SS**  trans-160.8112.3141.8-168.5-110.4000110.8
88N33.5Very low35.4Very low124 Ų124141 Ų14166%0.66378%0.778SS**  trans40.9152.3134.9-61.8-5.3000123.1
89T33.6Very low35.7Very low113 Ų113139.6 Ų139.669%0.69377%0.768SS**  cis-171.2169.4-15.4-79.90000107.5
90M37.9Very low35.8Very low164 Ų164140.4 Ų140.481%0.80876%0.762SS**  trans94.1100166.7-53.2-160.480.800117.5
91E28.2Very low36Very low192 Ų192140.8 Ų140.890%0.89776%0.762SS**  trans-75.4143151.5-54.4169.2119.300109.4
92V41.4Very low35.9Very low131 Ų131133.3 Ų133.379%0.79475%0.752SS**  trans-140.8127.2159.9176.10000109.3
93D31.7Very low36.4Very low141 Ų141131.7 Ų131.775%0.75474%0.744SS**  trans-74147.1179.5-152.1-42.5000111.9N95D93-N95 PolarHBondContact OD1-ND2 3.16Å; D93-N95 VanDerWaalsContact OD1-ND2 3.17Å
94G39.2Very low36Very low72 Ų72133.3 Ų133.374%0.74274%0.741SS**  trans-144.332.5-156.300000116.2
95N35Very low36.3Very low134 Ų134133.7 Ų133.772%0.71774%0.737SS**  trans-43.8145.2178.7-69.2-80.8000115.3D93D93-N95 PolarHBondContact OD1-ND2 3.16Å; D93-N95 VanDerWaalsContact OD1-ND2 3.17Å
96K41.2Very low36.3Very low174 Ų174134 Ų13476%0.75774%0.74SS**  145.4134.296.8-144.6164.8-172.3-69.30114.5
97V39.2Very low36.5Very low112 Ų112130.7 Ų130.768%0.67974%0.736SS**  trans59157.4160.1-71.10000118.6
98M38.3Very low36.6Very low157 Ų157128.6 Ų128.677%0.77374%0.735SS**  cis-144.3145.712-164.660.586.300113
99S37.6Very low36.5Very low80 Ų80127.7 Ų127.756%0.55974%0.739SS**  trans15.9141.7148.8-141.40000120.5
100S36.9Very low37.1Very low94 Ų94127.6 Ų127.666%0.65774%0.74SS**  -165.2134.750.2-83.10000116.4
101F35Very low37.1Very low183 Ų183127.5 Ų127.580%0.80374%0.738SS**  trans43.1104.8142-50.4-63.3000122.2
102A32.7Very low37.4Very low87 Ų87125.4 Ų125.472%0.71973%0.725SS**  -78.2173.6127.400000109.2
103P40.4Very low37.5Very low95 Ų95123.8 Ų123.862%0.61773%0.726SS**  -163.8178.984.444.2-23.7000118.7
104H37.4Very low37.8Very low159 Ų159123.6 Ų123.674%0.73672%0.72SS**  trans68.7157.5152.2-58.5-35.1000119.9
105N36.2Very low37.7Very low144 Ų144128.7 Ų128.777%0.7773%0.725SS**  cis-159.3176.9-23.5-105.84.2000110
106S34.8Very low37.9Very low113 Ų113125.1 Ų125.179%0.7972%0.72SS**  trans-83.5154.6-172.5-43.40000117.3
107S38.8Very low37.7Very low111 Ų111120.3 Ų120.378%0.77672%0.72SS**  trans91.4135.3139.6-150.20000122.7
108T39Very low37.5Very low120 Ų120125.8 Ų125.874%0.73673%0.728SS**  trans60.8111.3147.4-166.80000124
109S31.4Very low37.5Very low105 Ų105126.6 Ų126.673%0.73473%0.73SS**  18.3159.8122.2-71.40000123
110P47.3Very low37.3Very low111 Ų111129 Ų12972%0.72175%0.747SS**  cis-144.2-170.3-15.735.3-12.5000116.4
111Q37.5Very low37.1Very low163 Ų163127.6 Ų127.676%0.76275%0.747SS**  trans115.6122.9130.2-129.8-173.4-6.700122.4
112K35.1Very low37Very low147 Ų147128.1 Ų128.164%0.63975%0.752SS**  trans69127.5142.5-99.4-175.5171.4-125.70124.9E114K112-E114 WeakPolarHBondContact CD-OE2 3.4Å; K112-E114 VanDerWaalsContact CE-OE2 3.27Å; K112-E114 WeakPolarHBondContact CE-OE2 3.26Å; K112-E114 IonicContact NZ-OE1 2.68Å; K112-E114 PolarHBondContact NZ-OE1 2.7Å; K112-E114 IonicContact NZ-OE2 2.73Å; K112-E114 PolarHBondContact NZ-OE2 3.32Å
113A43.6Very low37Very low97 Ų97129.6 Ų129.680%0.80276%0.758SS**  trans-150.3160.6152.200000109.1
114E37.6Very low37Very low137 Ų137133.2 Ų133.264%0.6477%0.771SS**  trans-151.2168.6-173.3-91.6137.9123.200109.5K112K112-E114 WeakPolarHBondContact CD-OE2 3.4Å; K112-E114 VanDerWaalsContact CE-OE2 3.27Å; K112-E114 WeakPolarHBondContact CE-OE2 3.26Å; K112-E114 IonicContact NZ-OE1 2.68Å; K112-E114 PolarHBondContact NZ-OE1 2.7Å; K112-E114 IonicContact NZ-OE2 2.73Å; K112-E114 PolarHBondContact NZ-OE2 3.32Å
115E37.5Very low36.8Very low179 Ų179130.5 Ų130.584%0.83677%0.77SS**  cis-152.1166.213.6-142.8-66.690.700110.2
116G38.8Very low36.9Very low59 Ų59129.6 Ų129.661%0.60877%0.774SS**  trans102154.1162.300000115.5
117G35.7Very low37Very low73 Ų73131.2 Ų131.275%0.75378%0.78SS**  cis172.4102.7-7.500000115.2
118R36.8Very low37Very low228 Ų228130.9 Ų130.986%0.8678%0.784SS**  trans63.6114.3156.3-60.4-177.7-176.4-126.61.1121.6
119Q37.7Very low36.9Very low173 Ų173133.9 Ų133.981%0.80880%0.795SS**  trans75.6133.7135.5-59.1176.2121.900122.3
120S33.8Very low37.1Very low131 Ų131132.3 Ų132.392%0.91680%0.795SS**  trans73.4121.1148.9-165.20000120.3
121G32.1Very low36.8Very low65 Ų65133.7 Ų133.767%0.6780%0.802SS**  trans130.4125.3150.800000118.3
122E33.5Very low37.1Very low193 Ų193131.8 Ų131.890%0.90280%0.803SS**  trans59.180.3132.8-53.7-167.9113.900121.9
123S32.8Very low37.4Very low119 Ų119133 Ų13383%0.83281%0.811SS**  31.2100.1121.11800000120.8
124L38.9Very low37.4Very low170 Ų170137.8 Ų137.889%0.8981%0.808SS**  trans-146.6159149.7-67.3175.4000109
125S34.9Very low37.7Very low103 Ų103141.6 Ų141.672%0.7282%0.817SS**  cis-175.5112.5-33.6178.70000107.4
126S36.9Very low38.1Very low124 Ų124143.1 Ų143.187%0.86782%0.821SS**  trans-170.9121.8169.1-80.20000110.6
127T36.6Very low39Very low147 Ų147143 Ų14390%0.90282%0.82SS**  trans-130.2131-174.638.90000112.7
128A38.5Very low40.9Very low105 Ų105141.5 Ų141.587%0.86880%0.797SS**  trans-149.6118.9164.900000112
129L38.7Very low42.5Very low183 Ų183137 Ų13796%0.95879%0.79SS**  trans-60.7152.4174.5-47.6163.5000111.1
130G34.5Very low44.3Very low72 Ų72131.2 Ų131.274%0.74277%0.771SS**  cis146.1101-2.700000112.6
131T41Very low46.7Very low140 Ų140128.2 Ų128.286%0.85975%0.745SS**  trans-139.9144.4172.729.80000111.6
132P44.9Very low49.2Very low122 Ų122129 Ų12979%0.79274%0.737SS**  trans-81.9127.8-168.530.8-34.6000113.8R134P132-R134 PolarHBondContact O-N 3.37Å
133E40Very low51.6Low174 Ų174122.6 Ų122.681%0.81371%0.711SS**  trans-44.9111.8174.8-170.3-172.8149.400113.6R135E133-R135 PolarHBondContact O-N 2.9Å; E133-R135 VanDerWaalsContact O-N 3.08Å
134R44.2Very low53.9Low196 Ų196120.8 Ų120.874%0.7469%0.692SS**  trans-74.997.9173.1-105.3-171.5173.5-1773.5110.2P132 K136P132-R134 PolarHBondContact O-N 3.37Å; R134-K136 PolarHBondContact O-N 3.4Å
135R43.8Very low56Low217 Ų217116.6 Ų116.682%0.81967%0.673SS**  trans-50.1135.8171-58.2-179-177.7105.24.3111E133E133-R135 PolarHBondContact O-N 2.9Å; E133-R135 VanDerWaalsContact O-N 3.08Å
136K46.7Very low58.3Low212 Ų212117 Ų11792%0.92267%0.667SS**SBendtrans-52.4138.4169.4-70.1-178175.5-179.20110.2R134R134-K136 PolarHBondContact O-N 3.4Å
137G58Low60.4Low56 Ų56116.9 Ų116.958%0.57765%0.651SS**  trans102.738.5-178.600000113.5D141G137-D141 PolarHBondContact N-OD2 3.43Å
138S73.7Confident62.5Low41 Ų41113.7 Ų113.729%0.28763%0.625SS.*  trans-63.3149.2163.7177.90000109.9A140 D141 V142S138-A140 PolarHBondContact O-N 3Å; S138-A140 VanDerWaalsContact O-N 3.13Å; S138-A140 PolarHBondContact OG-N 3.22Å; S138-D141 WeakPolarHBondContact CB-OD1 3.39Å; S138-D141 WeakPolarHBondContact CB-OD2 3.29Å; S138-D141 PolarHBondContact N-OD2 3.26Å; S138-D141 WeakPolarHBondContact O-CB 3.37Å; S138-D141 PolarHBondContact O-N 3.33Å; S138-V142 PolarHBondContact O-N 2.89Å; S138-V142 VanDerWaalsContact O-N 3.08Å
139L72.1Confident64.5Low134 Ų134116.4 Ų116.470%0.70261%0.613SS**Hα-helixtrans-58.2-26.9175.7-177.661.7000112.2V143L139-V143 HydrophobicContact CD1-CG2 4.18Å; L139-V143 HydrophobicContact CG-CG2 4.37Å; L139-V143 VanDerWaalsContact O-CB 3.3Å; L139-V143 WeakPolarHBondContact O-CB 3.35Å; L139-V143 VanDerWaalsContact O-CG2 3.22Å; L139-V143 WeakPolarHBondContact O-CG2 3.5Å; L139-V143 PolarHBondContact O-N 3.31Å
140A75.8Confident66.6Low51 Ų51113.7 Ų113.742%0.42159%0.594SS.*Hα-helixtrans-63.2-54.4171.400000111.2S138 V142 V143 D144S138-A140 PolarHBondContact O-N 3Å; S138-A140 VanDerWaalsContact O-N 3.13Å; S138-A140 PolarHBondContact OG-N 3.22Å; A140-V142 VanDerWaalsContact C-N 3.26Å; A140-V142 PolarHBondContact O-N 2.61Å; A140-V143 PolarHBondContact O-N 3.1Å; A140-V143 VanDerWaalsContact O-N 3.11Å; A140-D144 PolarHBondContact O-N 2.98Å
141D82.6Confident68.7Low69 Ų69112.9 Ų112.937%0.36957%0.571SS.*Hα-helixtrans-53.2-44.5177.6-36.2-18.8000111.1G137 S138 T145G137-D141 PolarHBondContact N-OD2 3.43Å; S138-D141 WeakPolarHBondContact CB-OD1 3.39Å; S138-D141 WeakPolarHBondContact CB-OD2 3.29Å; S138-D141 PolarHBondContact N-OD2 3.26Å; S138-D141 WeakPolarHBondContact O-CB 3.37Å; S138-D141 PolarHBondContact O-N 3.33Å; D141-T145 WeakPolarHBondContact O-CB 3.39Å; D141-T145 PolarHBondContact O-N 3.36Å; D141-T145 PolarHBondContact O-OG1 3.02Å
142V84.4Confident70.4Confident80 Ų80110.9 Ų110.949%0.48555%0.552SS.*Hα-helixtrans-66.8-44.8179.1177.40000111.4S138 A140 L146S138-V142 PolarHBondContact O-N 2.89Å; S138-V142 VanDerWaalsContact O-N 3.08Å; A140-V142 VanDerWaalsContact C-N 3.26Å; A140-V142 PolarHBondContact O-N 2.61Å; V142-L146 VanDerWaalsContact O-CB 3.23Å; V142-L146 WeakPolarHBondContact O-CB 3.42Å; V142-L146 PolarHBondContact O-N 3.33Å
143V85.2Confident71.8Confident60 Ų60110 Ų11036%0.36454%0.537SS..Hα-helixtrans-66.1-39.7178.8163.50000111.7L139 A140 L146 K147L139-V143 HydrophobicContact CD1-CG2 4.18Å; L139-V143 HydrophobicContact CG-CG2 4.37Å; L139-V143 VanDerWaalsContact O-CB 3.3Å; L139-V143 WeakPolarHBondContact O-CB 3.35Å; L139-V143 VanDerWaalsContact O-CG2 3.22Å; L139-V143 WeakPolarHBondContact O-CG2 3.5Å; L139-V143 PolarHBondContact O-N 3.31Å; A140-V143 PolarHBondContact O-N 3.1Å; A140-V143 VanDerWaalsContact O-N 3.11Å; V143-L146 PolarHBondContact O-N 2.92Å; V143-K147 HydrophobicContact CG1-CD 4.46Å; V143-K147 VanDerWaalsContact O-CG 3.31Å; V143-K147 WeakPolarHBondContact O-CG 3.31Å; V143-K147 PolarHBondContact O-N 2.88Å
144D80.8Confident73.3Confident81 Ų81107.2 Ų107.243%0.43353%0.528SS..Hα-helixtrans-77.5-34.4179.7-68.6-24.4000111.6A140 L146 K147 Q148A140-D144 PolarHBondContact O-N 2.98Å; D144-L146 VanDerWaalsContact C-N 3.32Å; D144-L146 PolarHBondContact O-N 2.9Å; D144-K147 PolarHBondContact O-N 3.33Å; D144-K147 IonicContact OD1-NZ 2.67Å; D144-K147 PolarHBondContact OD1-NZ 2.8Å; D144-Q148 VanDerWaalsContact O-CB 3.27Å; D144-Q148 WeakPolarHBondContact O-CB 3.24Å; D144-Q148 PolarHBondContact O-N 3.4Å
145T83.3Confident74.5Confident81 Ų81101.5 Ų101.550%0.49751%0.511SS..Hα-helixtrans-63.2-37.3167.7-55.90000111.7D141 Q148 R149D141-T145 WeakPolarHBondContact O-CB 3.39Å; D141-T145 PolarHBondContact O-N 3.36Å; D141-T145 PolarHBondContact O-OG1 3.02Å; T145-Q148 PolarHBondContact O-N 2.82Å; T145-R149 WeakPolarHBondContact O-CB 3.12Å; T145-R149 PolarHBondContact O-N 3.23Å
146L82Confident75.6Confident111 Ų11199 Ų9958%0.58151%0.506SS*.Hα-helixtrans-71.7-38177.2-177.761.6000112.1V142 V143 D144 K150V142-L146 VanDerWaalsContact O-CB 3.23Å; V142-L146 WeakPolarHBondContact O-CB 3.42Å; V142-L146 PolarHBondContact O-N 3.33Å; V143-L146 PolarHBondContact O-N 2.92Å; D144-L146 VanDerWaalsContact C-N 3.32Å; D144-L146 PolarHBondContact O-N 2.9Å; L146-K150 VanDerWaalsContact O-CB 3.26Å; L146-K150 WeakPolarHBondContact O-CB 3.41Å; L146-K150 PolarHBondContact O-N 3.41Å
147K82.6Confident76.1Confident122 Ų12294.7 Ų94.753%0.5349%0.493SS..Hα-helixtrans-62.8-44.4170.1-72.3168.9-164157.10111.3V143 D144 K150 M151V143-K147 HydrophobicContact CG1-CD 4.46Å; V143-K147 VanDerWaalsContact O-CG 3.31Å; V143-K147 WeakPolarHBondContact O-CG 3.31Å; V143-K147 PolarHBondContact O-N 2.88Å; D144-K147 PolarHBondContact O-N 3.33Å; D144-K147 IonicContact OD1-NZ 2.67Å; D144-K147 PolarHBondContact OD1-NZ 2.8Å; K147-K150 PolarHBondContact O-N 3.13Å; K147-M151 WeakPolarHBondContact O-CB 3.29Å; K147-M151 PolarHBondContact O-N 3.4Å
148Q80.8Confident75.7Confident80 Ų8097 Ų9737%0.37449%0.489SS..Hα-helixtrans-60.2-53.5178.1-178.661.129.800110.1D144 T145 K150 M151 E152D144-Q148 VanDerWaalsContact O-CB 3.27Å; D144-Q148 WeakPolarHBondContact O-CB 3.24Å; D144-Q148 PolarHBondContact O-N 3.4Å; T145-Q148 PolarHBondContact O-N 2.82Å; Q148-K150 VanDerWaalsContact C-N 3.32Å; Q148-K150 PolarHBondContact O-N 2.82Å; Q148-M151 WeakPolarHBondContact O-CA 3.41Å; Q148-M151 WeakPolarHBondContact O-CB 3.49Å; Q148-M151 PolarHBondContact O-N 3.15Å; Q148-E152 VanDerWaalsContact CG-OE1 3.31Å; Q148-E152 WeakPolarHBondContact CG-OE1 3.47Å; Q148-E152 PolarHBondContact NE2-OE1 3.37Å; Q148-E152 WeakPolarHBondContact O-CG 3.31Å; Q148-E152 PolarHBondContact O-N 3.48Å
149R80.2Confident74.7Confident162 Ų16298.6 Ų98.661%0.61150%0.498SS*.Hα-helixtrans-59.4-40176.8-169.9-174.3-64.5176.4-1112.6T145 M151 E152 E153T145-R149 WeakPolarHBondContact O-CB 3.12Å; T145-R149 PolarHBondContact O-N 3.23Å; R149-M151 VanDerWaalsContact C-N 3.32Å; R149-M151 PolarHBondContact O-N 2.84Å; R149-E152 PolarHBondContact O-N 3.06Å; R149-E153 WeakPolarHBondContact O-CB 3.39Å; R149-E153 PolarHBondContact O-N 3.39Å
150K82.9Confident73.4Confident127 Ų127100.2 Ų100.255%0.55250%0.502SS*.Hα-helixtrans-70.1-27.8176.8-176.4158.2-176.3155.60112.9L146 K147 Q148 L154L146-K150 VanDerWaalsContact O-CB 3.26Å; L146-K150 WeakPolarHBondContact O-CB 3.41Å; L146-K150 PolarHBondContact O-N 3.41Å; K147-K150 PolarHBondContact O-N 3.13Å; Q148-K150 VanDerWaalsContact C-N 3.32Å; Q148-K150 PolarHBondContact O-N 2.82Å; K150-L154 HydrophobicContact CG-CD1 4.36Å; K150-L154 WeakPolarHBondContact O-CB 3.27Å; K150-L154 WeakPolarHBondContact O-CD1 3.28Å; K150-L154 VanDerWaalsContact O-CG 3.27Å; K150-L154 WeakPolarHBondContact O-CG 3.32Å; K150-L154 PolarHBondContact O-N 2.9Å
151M77.2Confident72.1Confident54 Ų54104.4 Ų104.427%0.26651%0.513SS..Hα-helixtrans-72.7-46.3171.9-172.8175.4-66.700110.5K147 Q148 R149 E153 L154 I155 Y606K147-M151 WeakPolarHBondContact O-CB 3.29Å; K147-M151 PolarHBondContact O-N 3.4Å; Q148-M151 WeakPolarHBondContact O-CA 3.41Å; Q148-M151 WeakPolarHBondContact O-CB 3.49Å; Q148-M151 PolarHBondContact O-N 3.15Å; R149-M151 VanDerWaalsContact C-N 3.32Å; R149-M151 PolarHBondContact O-N 2.84Å; M151-E153 VanDerWaalsContact C-N 3.32Å; M151-E153 PolarHBondContact O-N 2.91Å; M151-L154 PolarHBondContact O-N 3.43Å; M151-I155 HydrophobicContact CG-CD1 3.99Å; M151-I155 WeakPolarHBondContact O-CD1 3.49Å; M151-I155 VanDerWaalsContact O-CG1 3.26Å; M151-I155 WeakPolarHBondContact O-CG1 3.28Å; M151-I155 PolarHBondContact O-N 3.38Å; M151-Y606 HydrophobicContact CE-CD1 3.87Å; M151-Y606 HydrophobicContact CE-CE1 3.95Å; M151-Y606 HydrophobicContact SD-CD1 3.72Å; M151-Y606 HydrophobicContact SD-CE1 4.25Å; M151-Y606 HydrophobicContact SD-CG 4Å
152E77.4Confident70.7Confident99 Ų99104.9 Ų104.946%0.46352%0.518SS..Hα-helixtrans-58.2-41.7172.9-69.2162.8176.700111.8Q148 R149 I155 K156Q148-E152 VanDerWaalsContact CG-OE1 3.31Å; Q148-E152 WeakPolarHBondContact CG-OE1 3.47Å; Q148-E152 PolarHBondContact NE2-OE1 3.37Å; Q148-E152 WeakPolarHBondContact O-CG 3.31Å; Q148-E152 PolarHBondContact O-N 3.48Å; R149-E152 PolarHBondContact O-N 3.06Å; E152-I155 PolarHBondContact O-N 2.92Å; E152-K156 WeakPolarHBondContact O-CB 3.36Å; E152-K156 PolarHBondContact O-N 3Å
153E74.5Confident69.3Low102 Ų102103 Ų10348%0.47751%0.508SS..Hα-helixtrans-65.2-41.2174.9-177.9178.6-159.900112.2R149 M151 I155 K156 N157R149-E153 WeakPolarHBondContact O-CB 3.39Å; R149-E153 PolarHBondContact O-N 3.39Å; M151-E153 VanDerWaalsContact C-N 3.32Å; M151-E153 PolarHBondContact O-N 2.91Å; E153-I155 VanDerWaalsContact C-N 3.3Å; E153-I155 PolarHBondContact O-N 2.93Å; E153-K156 PolarHBondContact O-N 3.25Å; E153-N157 WeakPolarHBondContact CG-ND2 3.42Å; E153-N157 WeakPolarHBondContact O-CB 3.43Å; E153-N157 PolarHBondContact O-N 3.41Å; E153-N157 PolarHBondContact O-ND2 2.8Å
154L71.4Confident67.6Low117 Ų117103.7 Ų103.761%0.61352%0.516SS*.Hα-helixtrans-67.9-28.2174.3-79.9166.3000113.3K150 M151K150-L154 HydrophobicContact CG-CD1 4.36Å; K150-L154 WeakPolarHBondContact O-CB 3.27Å; K150-L154 WeakPolarHBondContact O-CD1 3.28Å; K150-L154 VanDerWaalsContact O-CG 3.27Å; K150-L154 WeakPolarHBondContact O-CG 3.32Å; K150-L154 PolarHBondContact O-N 2.9Å; M151-L154 PolarHBondContact O-N 3.43Å
155I69Low66.7Low76 Ų76104.3 Ų104.339%0.3952%0.518SS..Hα-helixtrans-79.5-40175-67.3159.4000110.6M151 E152 E153M151-I155 HydrophobicContact CG-CD1 3.99Å; M151-I155 WeakPolarHBondContact O-CD1 3.49Å; M151-I155 VanDerWaalsContact O-CG1 3.26Å; M151-I155 WeakPolarHBondContact O-CG1 3.28Å; M151-I155 PolarHBondContact O-N 3.38Å; E152-I155 PolarHBondContact O-N 2.92Å; E153-I155 VanDerWaalsContact C-N 3.3Å; E153-I155 PolarHBondContact O-N 2.93Å
156K67.9Low65.6Low165 Ų165106.9 Ų106.972%0.71752%0.524SS*.Hα-helixtrans-83.7-17.1-175-171.1165.1-176.3170.70114.6E152 E153E152-K156 WeakPolarHBondContact O-CB 3.36Å; E152-K156 PolarHBondContact O-N 3Å; E153-K156 PolarHBondContact O-N 3.25Å
157N55.6Low64.7Low121 Ų121108.6 Ų108.665%0.64753%0.527SS*.THydrogen-bonded Turntrans-96.23.7175.6-64.3-12.2000113.2E153E153-N157 WeakPolarHBondContact CG-ND2 3.42Å; E153-N157 WeakPolarHBondContact O-CB 3.43Å; E153-N157 PolarHBondContact O-N 3.41Å; E153-N157 PolarHBondContact O-ND2 2.8Å
158E51.3Low63.7Low104 Ų104108.5 Ų108.549%0.48653%0.532SS..SBendtrans-71.9141.1154-92.8-114.981.700109E160E158-E160 PolarHBondContact O-N 3.18Å
159P51.1Low62.6Low75 Ų75109.8 Ų109.849%0.48754%0.54SS..  trans-67.7108177.227.5-33.1000110.6E161P159-E161 PolarHBondContact O-N 3.11Å
160E45.7Very low61.8Low167 Ų167104.8 Ų104.878%0.7853%0.53SS*.THydrogen-bonded Turntrans-65.88-174.1-155.5171.5-160.400114.4E158 P163E158-E160 PolarHBondContact O-N 3.18Å; E160-P163 WeakPolarHBondContact O-CD 3.43Å
161E49.2Very low61.2Low139 Ų139105.3 Ų105.365%0.6553%0.533SS*.THydrogen-bonded Turntrans-82.2-28-179-57.1-173.8148.900112.8P159 S164 I165P159-E161 PolarHBondContact O-N 3.11Å; E161-S164 WeakPolarHBondContact O-CB 3.35Å; E161-S164 PolarHBondContact O-N 2.79Å; E161-S164 VanDerWaalsContact O-N 3.14Å; E161-I165 HydrophobicContact CB-CD1 4.23Å; E161-I165 WeakPolarHBondContact O-CG1 3.48Å; E161-I165 PolarHBondContact O-N 3.43Å
162T53.5Low61Low79 Ų79107.4 Ų107.449%0.48555%0.545SS..Hα-helixtrans-58.1-47.6-177.552.60000114.6S164 I165 E166T162-S164 PolarHBondContact O-N 2.82Å; T162-I165 PolarHBondContact O-N 2.9Å; T162-E166 PolarHBondContact O-N 2.96Å
163P54.5Low60.8Low42 Ų42109.2 Ų109.227%0.27355%0.548SS..Hα-helixtrans-75.8-2179.434.8-40.4000113.7E160 K167E160-P163 WeakPolarHBondContact O-CD 3.43Å; P163-K167 WeakPolarHBondContact O-CD 3.47Å; P163-K167 VanDerWaalsContact O-CE 3.22Å; P163-K167 WeakPolarHBondContact O-CE 3.44Å; P163-K167 VanDerWaalsContact O-CG 3.31Å; P163-K167 WeakPolarHBondContact O-CG 3.48Å; P163-K167 PolarHBondContact O-NZ 3.33Å
164S47.9Very low60.5Low74 Ų74109.5 Ų109.552%0.51755%0.547SS..Hα-helixtrans-93.8-49.4170.7-1650000110E161 T162 E166 K167 L168E161-S164 WeakPolarHBondContact O-CB 3.35Å; E161-S164 PolarHBondContact O-N 2.79Å; E161-S164 VanDerWaalsContact O-N 3.14Å; T162-S164 PolarHBondContact O-N 2.82Å; S164-E166 PolarHBondContact O-N 3.36Å; S164-K167 PolarHBondContact O-N 3.22Å; S164-K167 VanDerWaalsContact O-N 3.11Å; S164-L168 PolarHBondContact O-N 3.03Å
165I63.3Low60.6Low93 Ų93108.3 Ų108.348%0.47754%0.541SS..Hα-helixtrans-59.1-45.6177.7-68.9169000111.4E161 T162 K167 L168 L169E161-I165 HydrophobicContact CB-CD1 4.23Å; E161-I165 WeakPolarHBondContact O-CG1 3.48Å; E161-I165 PolarHBondContact O-N 3.43Å; T162-I165 PolarHBondContact O-N 2.9Å; I165-K167 VanDerWaalsContact C-N 3.29Å; I165-K167 PolarHBondContact O-N 2.83Å; I165-L168 PolarHBondContact O-N 3.01Å; I165-L169 HydrophobicContact CG2-CD1 3.67Å; I165-L169 HydrophobicContact CG2-CG 4.25Å; I165-L169 WeakPolarHBondContact O-CB 3.28Å; I165-L169 VanDerWaalsContact O-CG 3.31Å; I165-L169 WeakPolarHBondContact O-CG 3.41Å; I165-L169 PolarHBondContact O-N 2.89Å
166E59.9Low60.8Low136 Ų136111.3 Ų111.364%0.63655%0.552SS**Hα-helixtrans-60.5-36.4176.4-77.5-164.7140.400112.9T162 S164 S170T162-E166 PolarHBondContact O-N 2.96Å; S164-E166 PolarHBondContact O-N 3.36Å; E166-S170 WeakPolarHBondContact O-CB 3.44Å; E166-S170 PolarHBondContact O-N 3.44Å; E166-S170 PolarHBondContact O-OG 2.85Å
167K63.2Low60.9Low146 Ų146108 Ų10864%0.63554%0.541SS*.Hα-helixtrans-75.6-35.3179.9-69.8177.5-166.8131.60112.5P163 S164 I165 K171P163-K167 WeakPolarHBondContact O-CD 3.47Å; P163-K167 VanDerWaalsContact O-CE 3.22Å; P163-K167 WeakPolarHBondContact O-CE 3.44Å; P163-K167 VanDerWaalsContact O-CG 3.31Å; P163-K167 WeakPolarHBondContact O-CG 3.48Å; P163-K167 PolarHBondContact O-NZ 3.33Å; S164-K167 PolarHBondContact O-N 3.22Å; S164-K167 VanDerWaalsContact O-N 3.11Å; I165-K167 VanDerWaalsContact C-N 3.29Å; I165-K167 PolarHBondContact O-N 2.83Å; K167-K171 PolarHBondContact O-N 3.38Å
168L60.6Low61.4Low120 Ų120108.1 Ų108.163%0.62854%0.541SS*.Hα-helixtrans-66.1-53.7175.1-140.773.7000109.8S164 I165 K171 D172S164-L168 PolarHBondContact O-N 3.03Å; I165-L168 PolarHBondContact O-N 3.01Å; L168-K171 PolarHBondContact O-N 2.98Å; L168-D172 PolarHBondContact O-N 2.81Å
169L58.8Low62.3Low107 Ų107106.6 Ų106.656%0.5655%0.546SS*.Hα-helixtrans-59.1-54177.9-68173.6000111.4I165 K171 D172 W173I165-L169 HydrophobicContact CG2-CD1 3.67Å; I165-L169 HydrophobicContact CG2-CG 4.25Å; I165-L169 WeakPolarHBondContact O-CB 3.28Å; I165-L169 VanDerWaalsContact O-CG 3.31Å; I165-L169 WeakPolarHBondContact O-CG 3.41Å; I165-L169 PolarHBondContact O-N 2.89Å; L169-K171 PolarHBondContact O-N 3.19Å; L169-D172 PolarHBondContact O-N 3.47Å; L169-W173 PolarHBondContact O-N 3.33Å; L169-W173 VanDerWaalsContact O-N 3.15Å
170S63.5Low62.8Low57 Ų57108.7 Ų108.740%0.39955%0.551SS.*Hα-helixtrans-63.3-15.3-173-62.90000114.9E166 K174E166-S170 WeakPolarHBondContact O-CB 3.44Å; E166-S170 PolarHBondContact O-N 3.44Å; E166-S170 PolarHBondContact O-OG 2.85Å; S170-K174 WeakPolarHBondContact O-CD 3.46Å; S170-K174 WeakPolarHBondContact O-CG 3.41Å
171K69.6Low63.2Low138 Ų138103.9 Ų103.960%0.655%0.546SS*.Hα-helixtrans-92.6-55.6175.9-166.7159.8-174.3177.40111.3K167 L168 L169 W173 K174 D175K167-K171 PolarHBondContact O-N 3.38Å; L168-K171 PolarHBondContact O-N 2.98Å; L169-K171 PolarHBondContact O-N 3.19Å; K171-W173 PolarHBondContact O-N 3.4Å; K171-K174 PolarHBondContact O-N 2.97Å; K171-D175 PolarHBondContact O-N 3.29Å
172D72.2Confident63.5Low98 Ų98102.2 Ų102.252%0.52455%0.55SS.*Hα-helixtrans-64-37-174.6-73-18.9000112.9L168 L169 K176L168-D172 PolarHBondContact O-N 2.81Å; L169-D172 PolarHBondContact O-N 3.47Å; D172-K176 VanDerWaalsContact O-CB 3.23Å; D172-K176 WeakPolarHBondContact O-CB 3.28Å; D172-K176 WeakPolarHBondContact O-CD 3.35Å; D172-K176 WeakPolarHBondContact O-CG 3.43Å; D172-K176 PolarHBondContact O-N 3.02Å; D172-K176 VanDerWaalsContact O-N 3.09Å
173W74.4Confident63Low137 Ų137100.9 Ų100.952%0.51955%0.552SS.*Hα-helixtrans-74-3317879.1-113.6000113L169 K171 L177L169-W173 PolarHBondContact O-N 3.33Å; L169-W173 VanDerWaalsContact O-N 3.15Å; K171-W173 PolarHBondContact O-N 3.4Å; W173-L177 HydrophobicContact CE3-CB 4.5Å; W173-L177 HydrophobicContact CE3-CD2 4.27Å; W173-L177 HydrophobicContact CZ3-CD2 3.89Å; W173-L177 VanDerWaalsContact O-CB 3.25Å; W173-L177 WeakPolarHBondContact O-CB 3.42Å; W173-L177 PolarHBondContact O-N 3.32Å
174K67.9Low62.6Low109 Ų109106.6 Ų106.647%0.47458%0.58SS.*Hα-helixtrans-70.5-47177.8-76.7-171.3177.7-1790111.7S170 K171 K176 L177 L178S170-K174 WeakPolarHBondContact O-CD 3.46Å; S170-K174 WeakPolarHBondContact O-CG 3.41Å; K171-K174 PolarHBondContact O-N 2.97Å; K174-K176 VanDerWaalsContact C-N 3.3Å; K174-K176 PolarHBondContact O-N 2.77Å; K174-L177 PolarHBondContact O-N 3Å; K174-L178 WeakPolarHBondContact O-CG 3.31Å; K174-L178 PolarHBondContact O-N 3.43Å
175D74.5Confident62.5Low91 Ų91112.9 Ų112.949%0.48760%0.599SS.*Hα-helixtrans-65.6-36.3178.5-67.8-21.7000110.5K171 A179K171-D175 PolarHBondContact O-N 3.29Å; D175-A179 VanDerWaalsContact O-CB 3.32Å; D175-A179 WeakPolarHBondContact O-CB 3.21Å; D175-A179 PolarHBondContact O-N 3.48Å
176K71.2Confident61.7Low139 Ų139110.9 Ų110.960%0.60460%0.601SS**Hα-helixtrans-64.3-43.5169.6-77.2170.8179.4-70.40113.4D172 K174 A179 M180D172-K176 VanDerWaalsContact O-CB 3.23Å; D172-K176 WeakPolarHBondContact O-CB 3.28Å; D172-K176 WeakPolarHBondContact O-CD 3.35Å; D172-K176 WeakPolarHBondContact O-CG 3.43Å; D172-K176 PolarHBondContact O-N 3.02Å; D172-K176 VanDerWaalsContact O-N 3.09Å; K174-K176 VanDerWaalsContact C-N 3.3Å; K174-K176 PolarHBondContact O-N 2.77Å; K176-A179 PolarHBondContact O-N 3.07Å; K176-M180 WeakPolarHBondContact O-CG 3.5Å; K176-M180 PolarHBondContact O-N 2.9Å
177L70Confident60.8Low96 Ų96113.7 Ų113.750%0.50361%0.614SS.*Hα-helixtrans-66.8-41.6-178.6-175.663.7000111.7W173 K174 A179 M180 G181W173-L177 HydrophobicContact CE3-CB 4.5Å; W173-L177 HydrophobicContact CE3-CD2 4.27Å; W173-L177 HydrophobicContact CZ3-CD2 3.89Å; W173-L177 VanDerWaalsContact O-CB 3.25Å; W173-L177 WeakPolarHBondContact O-CB 3.42Å; W173-L177 PolarHBondContact O-N 3.32Å; K174-L177 PolarHBondContact O-N 3Å; L177-A179 VanDerWaalsContact C-N 3.34Å; L177-M180 HydrophobicContact CD1-CE 4.25Å; L177-M180 PolarHBondContact O-N 3.42Å; L177-G181 PolarHBondContact O-N 3.5Å
178L67.8Low60.3Low123 Ų123114.7 Ų114.764%0.64462%0.624SS**Hα-helixtrans-65.3-37.2174.8-68.5169.4000112K174 G181 S182K174-L178 WeakPolarHBondContact O-CG 3.31Å; K174-L178 PolarHBondContact O-N 3.43Å; L178-G181 PolarHBondContact O-N 3.38Å; L178-S182 PolarHBondContact O-OG 3.26Å
179A69.1Low59.6Low72 Ų72118.7 Ų118.760%0.59564%0.637SS**Hα-helixtrans-66-41.1173.100000112.6D175 K176 L177D175-A179 VanDerWaalsContact O-CB 3.32Å; D175-A179 WeakPolarHBondContact O-CB 3.21Å; D175-A179 PolarHBondContact O-N 3.48Å; K176-A179 PolarHBondContact O-N 3.07Å; L177-A179 VanDerWaalsContact C-N 3.34Å
180M62.5Low59.4Low119 Ų119116.2 Ų116.259%0.58664%0.637SS**Hα-helixtrans-70.6-30.4176.5-70.7-175.5-57.900113.1K176 L177 S182K176-M180 WeakPolarHBondContact O-CG 3.5Å; K176-M180 PolarHBondContact O-N 2.9Å; L177-M180 HydrophobicContact CD1-CE 4.25Å; L177-M180 PolarHBondContact O-N 3.42Å; M180-S182 PolarHBondContact O-N 2.95Å; M180-S182 VanDerWaalsContact O-N 3.14Å
181G54.4Low59Low66 Ų66117.5 Ų117.568%0.6864%0.643SS**THydrogen-bonded Turntrans-69.9-2.3178.700000115.4L177 L178L177-G181 PolarHBondContact O-N 3.5Å; L178-G181 PolarHBondContact O-N 3.38Å
182S55.5Low58.7Low105 Ų105116.3 Ų116.373%0.73465%0.649SS**THydrogen-bonded Turntrans-117.95.2-166.8-570000115.2L178 M180L178-S182 PolarHBondContact O-OG 3.26Å; M180-S182 PolarHBondContact O-N 2.95Å; M180-S182 VanDerWaalsContact O-N 3.14Å
183G41.2Very low58.3Low50 Ų50119.1 Ų119.152%0.51566%0.659SS.*SBendtrans-177.5148.6176.100000116.4
184N46.6Very low58.4Low163 Ų163115.1 Ų115.187%0.87265%0.652SS**  trans56.760.3167.6-71.135.9000118.1G186N184-G186 PolarHBondContact O-N 2.92Å
185F46.7Very low59Low206 Ų206115 Ų11590%0.90466%0.656SS**  trans-73.565.6148.3-89.3-86.9000110.8E187F185-E187 PolarHBondContact O-N 3.36Å
186G45.6Very low59.4Low50 Ų50112.6 Ų112.652%0.51565%0.649SS.*  trans-86.7103.5179.300000112.7N184 I188N184-G186 PolarHBondContact O-N 2.92Å; G186-I188 VanDerWaalsContact C-N 3.31Å; G186-I188 PolarHBondContact O-N 2.96Å
187E42.4Very low59.9Low196 Ų196111.6 Ų111.692%0.91665%0.646SS**  trans47.730154.4-58.3-165.9122.500119.4F185 K189F185-E187 PolarHBondContact O-N 3.36Å; E187-K189 VanDerWaalsContact C-N 3.32Å; E187-K189 PolarHBondContact O-N 3.37Å
188I52.7Low60.7Low166 Ų166113.1 Ų113.185%0.85165%0.649SS**  trans-79.583.7166.7-49-177.2000109.3G186 G190G186-I188 VanDerWaalsContact C-N 3.31Å; G186-I188 PolarHBondContact O-N 2.96Å; I188-G190 PolarHBondContact O-N 2.98Å
189K44.8Very low61.6Low204 Ų204112.6 Ų112.689%0.88764%0.643SS**  trans-71.567.9174.1-169.4-179.8179.11770111.3E187E187-K189 VanDerWaalsContact C-N 3.32Å; E187-K189 PolarHBondContact O-N 3.37Å
190G55.3Low62.6Low55 Ų55117.8 Ų117.857%0.56765%0.647SS**  trans-66.6132.7174.700000111.4I188I188-G190 PolarHBondContact O-N 2.98Å
191T54.7Low64Low85 Ų85118.2 Ų118.252%0.52165%0.648SS.*  trans-68.3144.4167.346.50000109.8E193 S194T191-E193 PolarHBondContact O-N 2.94Å; T191-S194 WeakPolarHBondContact O-CB 3.38Å; T191-S194 PolarHBondContact O-N 3.31Å
192P62.8Low65.9Low113 Ų113119.6 Ų119.673%0.73464%0.639SS**Hα-helixtrans-60.2-31.5-178.723.2-33.4000112.4S194 L195 A196P192-S194 VanDerWaalsContact C-N 3.29Å; P192-S194 PolarHBondContact O-N 3Å; P192-L195 PolarHBondContact O-N 3.3Å; P192-L195 VanDerWaalsContact O-N 3.13Å; P192-A196 PolarHBondContact O-N 3.35Å
193E64Low67.6Low156 Ų156120.2 Ų120.273%0.72963%0.632SS**Hα-helixtrans-56.8-37.1171.8-173176.1-136.300113.1T191 L195 A196 E197T191-E193 PolarHBondContact O-N 2.94Å; E193-L195 VanDerWaalsContact C-N 3.32Å; E193-L195 PolarHBondContact O-N 3.47Å; E193-A196 PolarHBondContact O-N 3.31Å; E193-E197 WeakPolarHBondContact O-CB 3.5Å; E193-E197 PolarHBondContact O-N 3.4Å
194S76.3Confident70.2Confident53 Ų53119.3 Ų119.337%0.37162%0.623SS.*Hα-helixtrans-72.7-23.7178-171.90000113.2T191 P192 K198T191-S194 WeakPolarHBondContact O-CB 3.38Å; T191-S194 PolarHBondContact O-N 3.31Å; P192-S194 VanDerWaalsContact C-N 3.29Å; P192-S194 PolarHBondContact O-N 3Å; S194-K198 WeakPolarHBondContact O-CD 3.25Å; S194-K198 WeakPolarHBondContact O-CG 3.21Å
195L81.7Confident72.4Confident106 Ų106116 Ų11656%0.55560%0.603SS**Hα-helixtrans-76.8-50170.1-178.560.6000110.1P192 E193 E197 K198 E199P192-L195 PolarHBondContact O-N 3.3Å; P192-L195 VanDerWaalsContact O-N 3.13Å; E193-L195 VanDerWaalsContact C-N 3.32Å; E193-L195 PolarHBondContact O-N 3.47Å; L195-E197 VanDerWaalsContact C-N 3.27Å; L195-E197 PolarHBondContact O-N 2.93Å; L195-K198 CarbonylContact O-C 3.49Å; L195-K198 WeakPolarHBondContact O-CA 3.36Å; L195-K198 WeakPolarHBondContact O-CB 3.38Å; L195-K198 PolarHBondContact O-N 3.29Å; L195-E199 WeakPolarHBondContact O-CG 3.44Å; L195-E199 PolarHBondContact O-N 3.43Å
196A82.4Confident74.7Confident41 Ų41110.1 Ų110.134%0.33958%0.58SS.*Hα-helixtrans-57.5-37.4179.100000112.9P192 E193 E199 R200P192-A196 PolarHBondContact O-N 3.35Å; E193-A196 PolarHBondContact O-N 3.31Å; A196-E199 PolarHBondContact O-N 2.94Å; A196-R200 WeakPolarHBondContact O-CG 3.29Å; A196-R200 PolarHBondContact O-N 2.9Å
197E81.8Confident77Confident118 Ų118112.5 Ų112.555%0.55158%0.581SS**Hα-helixtrans-70-35.2175.4-173.654.5-154.900112.6E193 L195 R200 Q201E193-E197 WeakPolarHBondContact O-CB 3.5Å; E193-E197 PolarHBondContact O-N 3.4Å; L195-E197 VanDerWaalsContact C-N 3.27Å; L195-E197 PolarHBondContact O-N 2.93Å; E197-R200 PolarHBondContact O-N 2.94Å; E197-Q201 WeakPolarHBondContact O-CB 3.41Å; E197-Q201 PolarHBondContact O-N 2.84Å
198K85.8Confident79.6Confident129 Ų129109.9 Ų109.956%0.56157%0.569SS**Hα-helixtrans-68.3-35172-75172.3-179168.40112.2S194 L195 Q201 L202S194-K198 WeakPolarHBondContact O-CD 3.25Å; S194-K198 WeakPolarHBondContact O-CG 3.21Å; L195-K198 CarbonylContact O-C 3.49Å; L195-K198 WeakPolarHBondContact O-CA 3.36Å; L195-K198 WeakPolarHBondContact O-CB 3.38Å; L195-K198 PolarHBondContact O-N 3.29Å; K198-Q201 PolarHBondContact O-N 3.18Å; K198-L202 VanDerWaalsContact O-CB 3.24Å; K198-L202 WeakPolarHBondContact O-CB 3.47Å; K198-L202 PolarHBondContact O-N 3.45Å
199E88.5Confident81.7Confident111 Ų111107.3 Ų107.352%0.51956%0.556SS.*Hα-helixtrans-66.3-43.1173.2-69174145.800111.1L195 A196 L202 M203L195-E199 WeakPolarHBondContact O-CG 3.44Å; L195-E199 PolarHBondContact O-N 3.43Å; A196-E199 PolarHBondContact O-N 2.94Å; E199-L202 PolarHBondContact O-N 2.86Å; E199-M203 WeakPolarHBondContact O-CG 3.41Å; E199-M203 PolarHBondContact O-N 3.24Å
200R88.2Confident84Confident181 Ų181100.4 Ų100.468%0.68353%0.531SS*.Hα-helixtrans-59.2-46.8171.5-73.8175.3-178.9-77.7-2.5112.1A196 E197 L202 M203 G204A196-R200 WeakPolarHBondContact O-CG 3.29Å; A196-R200 PolarHBondContact O-N 2.9Å; E197-R200 PolarHBondContact O-N 2.94Å; R200-L202 VanDerWaalsContact C-N 3.34Å; R200-L202 PolarHBondContact O-N 2.89Å; R200-M203 PolarHBondContact O-N 2.96Å; R200-G204 PolarHBondContact O-N 2.78Å
201Q92.4Very high86Confident129 Ų129101.3 Ų101.360%0.60353%0.529SS*.Hα-helixtrans-61.7-42.2176.8-173.5174.352.100111.7E197 K198 G204 M205E197-Q201 WeakPolarHBondContact O-CB 3.41Å; E197-Q201 PolarHBondContact O-N 2.84Å; K198-Q201 PolarHBondContact O-N 3.18Å; Q201-G204 PolarHBondContact O-N 3.32Å; Q201-M205 WeakPolarHBondContact O-CG 3.33Å; Q201-M205 PolarHBondContact O-N 3.27Å
202L95.4Very high88Confident95 Ų95101.5 Ų101.550%0.49753%0.526SS..Hα-helixtrans-64.7-43.3176.7-179.260.7000111.8K198 E199 R200 G204 M205 I206K198-L202 VanDerWaalsContact O-CB 3.24Å; K198-L202 WeakPolarHBondContact O-CB 3.47Å; K198-L202 PolarHBondContact O-N 3.45Å; E199-L202 PolarHBondContact O-N 2.86Å; R200-L202 VanDerWaalsContact C-N 3.34Å; R200-L202 PolarHBondContact O-N 2.89Å; L202-G204 VanDerWaalsContact C-N 3.31Å; L202-G204 PolarHBondContact O-N 3.49Å; L202-M205 PolarHBondContact O-N 2.79Å; L202-I206 HydrophobicContact CD1-CD1 4.26Å; L202-I206 HydrophobicContact CD1-CG1 4.47Å; L202-I206 HydrophobicContact CG-CD1 3.96Å; L202-I206 VanDerWaalsContact O-CG1 3.28Å; L202-I206 WeakPolarHBondContact O-CG1 3.44Å; L202-I206 PolarHBondContact O-N 3.4Å
203M91.2Very high89.6Confident118 Ų118103.8 Ų103.858%0.58152%0.52SS*.Hα-helixtrans-62.2-38.6172.8-69.7-15180.300112E199 R200 I206 N207E199-M203 WeakPolarHBondContact O-CG 3.41Å; E199-M203 PolarHBondContact O-N 3.24Å; R200-M203 PolarHBondContact O-N 2.96Å; M203-I206 PolarHBondContact O-N 3.03Å; M203-N207 WeakPolarHBondContact O-CB 3.46Å; M203-N207 VanDerWaalsContact O-CG 3.25Å; M203-N207 PolarHBondContact O-N 3.39Å; M203-N207 PolarHBondContact O-ND2 3.24Å
204G94.3Very high91.1Very high31 Ų31101.9 Ų101.932%0.3251%0.511SS..Hα-helixtrans-57.8-47.5172.300000112.5R200 Q201 L202 N207 Q208R200-G204 PolarHBondContact O-N 2.78Å; Q201-G204 PolarHBondContact O-N 3.32Å; L202-G204 VanDerWaalsContact C-N 3.31Å; L202-G204 PolarHBondContact O-N 3.49Å; G204-N207 PolarHBondContact O-N 3.3Å; G204-Q208 WeakPolarHBondContact O-CG 3.38Å; G204-Q208 PolarHBondContact O-N 2.83Å
205M94.4Very high92Very high94 Ų94105.7 Ų105.746%0.46352%0.523SS..Hα-helixtrans-63.5-41.9175.3-72.8168.549.200112.7Q201 L202 N207 Q208 L209Q201-M205 WeakPolarHBondContact O-CG 3.33Å; Q201-M205 PolarHBondContact O-N 3.27Å; L202-M205 PolarHBondContact O-N 2.79Å; M205-N207 VanDerWaalsContact C-N 3.34Å; M205-N207 PolarHBondContact O-N 2.95Å; M205-Q208 PolarHBondContact O-N 3.21Å; M205-L209 WeakPolarHBondContact O-CB 3.31Å; M205-L209 VanDerWaalsContact O-CG 3.31Å; M205-L209 WeakPolarHBondContact O-CG 3.48Å; M205-L209 PolarHBondContact O-N 2.89Å
206I93.5Very high92.6Very high82 Ų82106.1 Ų106.142%0.42153%0.525SS..Hα-helixtrans-61.8-42.6177-71.5165000110.7L202 M203 L209 T210L202-I206 HydrophobicContact CD1-CD1 4.26Å; L202-I206 HydrophobicContact CD1-CG1 4.47Å; L202-I206 HydrophobicContact CG-CD1 3.96Å; L202-I206 VanDerWaalsContact O-CG1 3.28Å; L202-I206 WeakPolarHBondContact O-CG1 3.44Å; L202-I206 PolarHBondContact O-N 3.4Å; M203-I206 PolarHBondContact O-N 3.03Å; I206-L209 PolarHBondContact O-N 3.2Å; I206-T210 WeakPolarHBondContact O-CB 3.26Å; I206-T210 PolarHBondContact O-N 3.44Å; I206-T210 PolarHBondContact O-OG1 3.42Å
207N95.1Very high93.2Very high100 Ų100107.9 Ų107.954%0.53553%0.529SS..Hα-helixtrans-66-41.4177.3-70.3-19000112M203 G204 M205 T210 S211M203-N207 WeakPolarHBondContact O-CB 3.46Å; M203-N207 VanDerWaalsContact O-CG 3.25Å; M203-N207 PolarHBondContact O-N 3.39Å; M203-N207 PolarHBondContact O-ND2 3.24Å; G204-N207 PolarHBondContact O-N 3.3Å; M205-N207 VanDerWaalsContact C-N 3.34Å; M205-N207 PolarHBondContact O-N 2.95Å; N207-T210 PolarHBondContact O-N 2.95Å; N207-S211 WeakPolarHBondContact O-CB 3.27Å; N207-S211 PolarHBondContact O-N 3.01Å
208Q95.9Very high93.8Very high141 Ų141105.3 Ų105.366%0.65953%0.527SS*.Hα-helixtrans-61.6-46.4174.1-73.4175-4.100112.1G204 M205 T210 S211 L212G204-Q208 WeakPolarHBondContact O-CG 3.38Å; G204-Q208 PolarHBondContact O-N 2.83Å; M205-Q208 PolarHBondContact O-N 3.21Å; Q208-T210 VanDerWaalsContact C-N 3.32Å; Q208-T210 PolarHBondContact O-N 3.32Å; Q208-S211 PolarHBondContact O-N 2.95Å; Q208-L212 WeakPolarHBondContact O-CB 3.38Å; Q208-L212 PolarHBondContact O-N 3.32Å
209L96.3Very high94.2Very high112 Ų112101.8 Ų101.859%0.58652%0.523SS*.Hα-helixtrans-65.6-34.5177.4-70.9170.1000112.4M205 I206 R213M205-L209 WeakPolarHBondContact O-CB 3.31Å; M205-L209 VanDerWaalsContact O-CG 3.31Å; M205-L209 WeakPolarHBondContact O-CG 3.48Å; M205-L209 PolarHBondContact O-N 2.89Å; I206-L209 PolarHBondContact O-N 3.2Å; L209-R213 VanDerWaalsContact O-CB 3.27Å; L209-R213 WeakPolarHBondContact O-CB 3.34Å; L209-R213 PolarHBondContact O-N 3.09Å
210T95Very high94.5Very high58 Ų58100.9 Ų100.936%0.35652%0.518SS..Hα-helixtrans-67.3-47.5175.8-57.80000111I206 N207 Q208 L212 R213 E214I206-T210 WeakPolarHBondContact O-CB 3.26Å; I206-T210 PolarHBondContact O-N 3.44Å; I206-T210 PolarHBondContact O-OG1 3.42Å; N207-T210 PolarHBondContact O-N 2.95Å; Q208-T210 VanDerWaalsContact C-N 3.32Å; Q208-T210 PolarHBondContact O-N 3.32Å; T210-L212 PolarHBondContact O-N 3.41Å; T210-R213 WeakPolarHBondContact O-CB 3.38Å; T210-R213 PolarHBondContact O-N 2.92Å; T210-E214 WeakPolarHBondContact O-CG 3.5Å; T210-E214 PolarHBondContact O-N 3.22Å
211S95.7Very high94.7Very high75 Ų7595.8 Ų95.852%0.52451%0.505SS..Hα-helixtrans-60.1-44.3175.9-175.90000112.3N207 Q208 R213 E214 Q215N207-S211 WeakPolarHBondContact O-CB 3.27Å; N207-S211 PolarHBondContact O-N 3.01Å; Q208-S211 PolarHBondContact O-N 2.95Å; S211-R213 PolarHBondContact O-N 3.35Å; S211-E214 PolarHBondContact O-N 2.98Å; S211-Q215 PolarHBondContact O-N 3.05Å
212L97Very high94.8Very high89 Ų8995.4 Ų95.447%0.46650%0.503SS..Hα-helixtrans-62.9-40.2175.1-178.262.7000112.2Q208 T210 Q215 L216Q208-L212 WeakPolarHBondContact O-CB 3.38Å; Q208-L212 PolarHBondContact O-N 3.32Å; T210-L212 PolarHBondContact O-N 3.41Å; L212-Q215 PolarHBondContact O-N 2.95Å; L212-L216 HydrophobicContact CD1-CD1 4.5Å; L212-L216 HydrophobicContact CG-CD1 4.21Å; L212-L216 WeakPolarHBondContact O-CB 3.4Å; L212-L216 WeakPolarHBondContact O-CG 3.27Å; L212-L216 PolarHBondContact O-N 3.23Å
213R96.2Very high94.6Very high160 Ų16097.3 Ų97.360%0.60451%0.509SS*.Hα-helixtrans-63.1-42.4175.3177.6179.7177.2-85.50.1111.7L209 T210 S211 L216 L217L209-R213 VanDerWaalsContact O-CB 3.27Å; L209-R213 WeakPolarHBondContact O-CB 3.34Å; L209-R213 PolarHBondContact O-N 3.09Å; T210-R213 WeakPolarHBondContact O-CB 3.38Å; T210-R213 PolarHBondContact O-N 2.92Å; S211-R213 PolarHBondContact O-N 3.35Å; R213-L216 PolarHBondContact O-N 2.97Å; R213-L217 HydrophobicContact CG-CD1 4.12Å; R213-L217 WeakPolarHBondContact O-CB 3.29Å; R213-L217 VanDerWaalsContact O-CG 3.26Å; R213-L217 WeakPolarHBondContact O-CG 3.42Å; R213-L217 PolarHBondContact O-N 3.03Å
214E95.3Very high94.6Very high117 Ų11796.3 Ų96.355%0.54750%0.501SS..Hα-helixtrans-65.2-41.6176.4-72.6176.5167.900111.8T210 S211 L217 A218T210-E214 WeakPolarHBondContact O-CG 3.5Å; T210-E214 PolarHBondContact O-N 3.22Å; S211-E214 PolarHBondContact O-N 2.98Å; E214-L217 PolarHBondContact O-N 2.97Å; E214-A218 WeakPolarHBondContact O-CB 3.48Å; E214-A218 PolarHBondContact O-N 2.94Å
215Q95.4Very high94.6Very high133 Ų133102 Ų10262%0.62152%0.517SS*.Hα-helixtrans-62.5-43175.2-169.2178.615.600112.3S211 L212 A218 A219S211-Q215 PolarHBondContact O-N 3.05Å; L212-Q215 PolarHBondContact O-N 2.95Å; Q215-A218 PolarHBondContact O-N 3.29Å; Q215-A219 WeakPolarHBondContact O-CB 3.48Å; Q215-A219 PolarHBondContact O-N 3.49Å
216L95.5Very high94.5Very high114 Ų114103 Ų10360%0.59752%0.524SS*.Hα-helixtrans-65.2-39.5176.1-73.5168.7000112.4L212 R213 H220L212-L216 HydrophobicContact CD1-CD1 4.5Å; L212-L216 HydrophobicContact CG-CD1 4.21Å; L212-L216 WeakPolarHBondContact O-CB 3.4Å; L212-L216 WeakPolarHBondContact O-CG 3.27Å; L212-L216 PolarHBondContact O-N 3.23Å; R213-L216 PolarHBondContact O-N 2.97Å; L216-H220 WeakPolarHBondContact O-CB 3.49Å; L216-H220 PolarHBondContact O-N 3.37Å
217L93.5Very high94.4Very high79 Ų79101.2 Ų101.241%0.41452%0.521SS..Hα-helixtrans-65-43.6174.4-73169000111.7R213 E214 H220 D221R213-L217 HydrophobicContact CG-CD1 4.12Å; R213-L217 WeakPolarHBondContact O-CB 3.29Å; R213-L217 VanDerWaalsContact O-CG 3.26Å; R213-L217 WeakPolarHBondContact O-CG 3.42Å; R213-L217 PolarHBondContact O-N 3.03Å; E214-L217 PolarHBondContact O-N 2.97Å; L217-H220 PolarHBondContact O-N 2.68Å; L217-D221 PolarHBondContact O-N 2.81Å
218A95.2Very high94.3Very high63 Ų6399.1 Ų99.152%0.52152%0.518SS..Hα-helixtrans-61.8-45.9177.500000112.2E214 Q215 H220 D221 E222E214-A218 WeakPolarHBondContact O-CB 3.48Å; E214-A218 PolarHBondContact O-N 2.94Å; Q215-A218 PolarHBondContact O-N 3.29Å; A218-H220 PolarHBondContact O-N 3.36Å; A218-D221 PolarHBondContact O-N 3.21Å; A218-E222 PolarHBondContact O-N 2.92Å
219A94.4Very high94.2Very high56 Ų5696.2 Ų96.246%0.46351%0.514SS..Hα-helixtrans-62.9-39.8176.500000112.3Q215 E222 Q223Q215-A219 WeakPolarHBondContact O-CB 3.48Å; Q215-A219 PolarHBondContact O-N 3.49Å; A219-E222 PolarHBondContact O-N 3.35Å; A219-Q223 PolarHBondContact O-N 3.46Å
220H95.6Very high94Very high91 Ų9197 Ų9742%0.42151%0.514SS..Hα-helixtrans-67.4-38176-175.1-158.9000112.1L216 L217 A218 Q223 K224L216-H220 WeakPolarHBondContact O-CB 3.49Å; L216-H220 PolarHBondContact O-N 3.37Å; L217-H220 PolarHBondContact O-N 2.68Å; A218-H220 PolarHBondContact O-N 3.36Å; H220-Q223 PolarHBondContact O-N 2.81Å; H220-K224 WeakPolarHBondContact CE1-CE 3.47Å; H220-K224 WeakPolarHBondContact NE2-CE 3.4Å; H220-K224 WeakPolarHBondContact O-CG 3.43Å; H220-K224 PolarHBondContact O-N 3.08Å
221D92.2Very high93.8Very high75 Ų7599.5 Ų99.540%0.40152%0.524SS..Hα-helixtrans-72.3-29.2175-82.6-1000113L217 A218 K224 K225L217-D221 PolarHBondContact O-N 2.81Å; A218-D221 PolarHBondContact O-N 3.21Å; D221-K224 WeakPolarHBondContact OD1-CD 3.36Å; D221-K224 WeakPolarHBondContact OD1-CE 3.46Å; D221-K224 IonicContact OD1-NZ 3.16Å; D221-K224 PolarHBondContact OD1-NZ 3.15Å; D221-K225 VanDerWaalsContact O-CG 3.26Å; D221-K225 WeakPolarHBondContact O-CG 3.46Å; D221-K225 PolarHBondContact O-N 2.81Å
222E93.6Very high93.6Very high121 Ų12199 Ų9957%0.56551%0.514SS*.Hα-helixtrans-65.2-46.7167-174.6173.4-170.200111.4A218 A219 K224 K225 L226A218-E222 PolarHBondContact O-N 2.92Å; A219-E222 PolarHBondContact O-N 3.35Å; E222-K224 VanDerWaalsContact C-N 3.28Å; E222-K224 PolarHBondContact O-N 2.75Å; E222-K225 WeakPolarHBondContact O-CB 3.39Å; E222-K225 PolarHBondContact O-N 2.92Å; E222-L226 HydrophobicContact CG-CD1 4.38Å; E222-L226 WeakPolarHBondContact O-CG 3.39Å; E222-L226 PolarHBondContact O-N 3.48Å
223Q91.9Very high93.5Very high134 Ų134101.3 Ų101.363%0.62652%0.52SS*.Hα-helixtrans-57.6-40.5175-169.2-177.88.100111.9A219 H220 L226 A227A219-Q223 PolarHBondContact O-N 3.46Å; H220-Q223 PolarHBondContact O-N 2.81Å; Q223-L226 PolarHBondContact O-N 3.44Å; Q223-A227 WeakPolarHBondContact O-CB 3.5Å; Q223-A227 PolarHBondContact O-N 3.2Å
224K91.6Very high93.4Very high97 Ų9799.2 Ų99.242%0.42252%0.517SS..Hα-helixtrans-63.9-41.9172.5-69.9170.3-154.8158.50112.5H220 D221 E222 A227 A228H220-K224 WeakPolarHBondContact CE1-CE 3.47Å; H220-K224 WeakPolarHBondContact NE2-CE 3.4Å; H220-K224 WeakPolarHBondContact O-CG 3.43Å; H220-K224 PolarHBondContact O-N 3.08Å; D221-K224 WeakPolarHBondContact OD1-CD 3.36Å; D221-K224 WeakPolarHBondContact OD1-CE 3.46Å; D221-K224 IonicContact OD1-NZ 3.16Å; D221-K224 PolarHBondContact OD1-NZ 3.15Å; E222-K224 VanDerWaalsContact C-N 3.28Å; E222-K224 PolarHBondContact O-N 2.75Å; K224-A227 PolarHBondContact O-N 3.36Å; K224-A228 VanDerWaalsContact O-CB 3.29Å; K224-A228 WeakPolarHBondContact O-CB 3.37Å; K224-A228 PolarHBondContact O-N 3.46Å
225K93.7Very high93.4Very high150 Ų150101 Ų10165%0.65252%0.519SS*.Hα-helixtrans-62-42175.8-73.6164.3-173.7169.40111.4D221 E222 A228 S229D221-K225 VanDerWaalsContact O-CG 3.26Å; D221-K225 WeakPolarHBondContact O-CG 3.46Å; D221-K225 PolarHBondContact O-N 2.81Å; E222-K225 WeakPolarHBondContact O-CB 3.39Å; E222-K225 PolarHBondContact O-N 2.92Å; K225-A228 PolarHBondContact O-N 2.94Å; K225-S229 VanDerWaalsContact O-CB 3.3Å; K225-S229 WeakPolarHBondContact O-CB 3.32Å; K225-S229 PolarHBondContact O-N 3.36Å
226L92.7Very high93.4Very high116 Ų116100.1 Ų100.161%0.60752%0.515SS*.Hα-helixtrans-63.8-45.7175.8-68.3172.2000111.7E222 Q223 S229 Q230E222-L226 HydrophobicContact CG-CD1 4.38Å; E222-L226 WeakPolarHBondContact O-CG 3.39Å; E222-L226 PolarHBondContact O-N 3.48Å; Q223-L226 PolarHBondContact O-N 3.44Å; L226-S229 PolarHBondContact O-N 3.49Å; L226-Q230 PolarHBondContact O-N 3.21Å
227A91.1Very high93.3Very high44 Ų44100.6 Ų100.636%0.36451%0.514SS..Hα-helixtrans-62.7-43.6175.400000112.5Q223 K224 S229 Q230 I231Q223-A227 WeakPolarHBondContact O-CB 3.5Å; Q223-A227 PolarHBondContact O-N 3.2Å; K224-A227 PolarHBondContact O-N 3.36Å; A227-S229 PolarHBondContact O-N 2.9Å; A227-Q230 WeakPolarHBondContact O-CB 3.44Å; A227-Q230 PolarHBondContact O-N 2.92Å; A227-I231 WeakPolarHBondContact O-CG1 3.43Å; A227-I231 PolarHBondContact O-N 3.29Å
228A92.4Very high93.3Very high57 Ų57102.6 Ų102.647%0.47152%0.523SS..Hα-helixtrans-63-40.8176.100000112.2K224 K225 I231 E232K224-A228 VanDerWaalsContact O-CB 3.29Å; K224-A228 WeakPolarHBondContact O-CB 3.37Å; K224-A228 PolarHBondContact O-N 3.46Å; K225-A228 PolarHBondContact O-N 2.94Å; A228-I231 PolarHBondContact O-N 3.28Å; A228-E232 WeakPolarHBondContact O-CB 3.39Å; A228-E232 PolarHBondContact O-N 2.86Å
229S94Very high93.2Very high80 Ų80103 Ų10356%0.55951%0.514SS*.Hα-helixtrans-62.4-40.8173.9-176.70000112K225 L226 A227 E232 K233K225-S229 VanDerWaalsContact O-CB 3.3Å; K225-S229 WeakPolarHBondContact O-CB 3.32Å; K225-S229 PolarHBondContact O-N 3.36Å; L226-S229 PolarHBondContact O-N 3.49Å; A227-S229 PolarHBondContact O-N 2.9Å; S229-E232 PolarHBondContact O-N 3.39Å; S229-K233 WeakPolarHBondContact O-CB 3.47Å; S229-K233 PolarHBondContact O-N 3.48Å
230Q91.2Very high93.3Very high127 Ų127105 Ų10559%0.59352%0.516SS*.Hα-helixtrans-63.6-43174.9-168.9-178.333.800112.1L226 A227 K233 Q234L226-Q230 PolarHBondContact O-N 3.21Å; A227-Q230 WeakPolarHBondContact O-CB 3.44Å; A227-Q230 PolarHBondContact O-N 2.92Å; Q230-K233 PolarHBondContact O-N 3.05Å; Q230-Q234 PolarHBondContact O-N 3.43Å
231I91.7Very high93.3Very high112 Ų112103.3 Ų103.357%0.57452%0.518SS*.Hα-helixtrans-65.4-42.7176.6-68.1165.3000110.9A227 A228 K233 Q234 R235A227-I231 WeakPolarHBondContact O-CG1 3.43Å; A227-I231 PolarHBondContact O-N 3.29Å; A228-I231 PolarHBondContact O-N 3.28Å; I231-K233 PolarHBondContact O-N 3.01Å; I231-Q234 PolarHBondContact O-N 3Å; I231-R235 PolarHBondContact O-N 3.26Å
232E92.4Very high93.5Very high64 Ų64105 Ų10530%0.29952%0.522SS..Hα-helixtrans-65.1-38.6177-179.855.6-156.100111.7A228 S229 Q234 R235 Q236A228-E232 WeakPolarHBondContact O-CB 3.39Å; A228-E232 PolarHBondContact O-N 2.86Å; S229-E232 PolarHBondContact O-N 3.39Å; E232-Q234 VanDerWaalsContact C-N 3.35Å; E232-Q234 PolarHBondContact O-N 3Å; E232-R235 VanDerWaalsContact CD-NH2 3.35Å; E232-R235 WeakPolarHBondContact O-CB 3.44Å; E232-R235 PolarHBondContact O-N 3.08Å; E232-R235 VanDerWaalsContact O-N 3.14Å; E232-R235 IonicContact OE1-CZ 2.7Å; E232-R235 IonicContact OE1-NE 3.18Å; E232-R235 PolarHBondContact OE1-NE 2.82Å; E232-R235 IonicContact OE1-NH2 2.6Å; E232-R235 PolarHBondContact OE1-NH2 3.28Å; E232-R235 IonicContact OE2-CZ 3.54Å; E232-R235 IonicContact OE2-NE 2.66Å; E232-R235 PolarHBondContact OE2-NE 3.03Å; E232-R235 IonicContact OE2-NH2 2.69Å; E232-R235 PolarHBondContact OE2-NH2 3.36Å; E232-R235 VanDerWaalsContact OE2-NH2 3.16Å; E232-Q236 WeakPolarHBondContact O-CG 3.28Å; E232-Q236 PolarHBondContact O-N 3.13Å; E232-Q236 PolarHBondContact OE1-NE2 2.98Å
233K94.6Very high93.6Very high137 Ų137104.1 Ų104.160%0.59652%0.517SS*.Hα-helixtrans-61.9-40172.6-173.4173.3-178.1174.40112.3S229 Q230 I231 Q236 Q237S229-K233 WeakPolarHBondContact O-CB 3.47Å; S229-K233 PolarHBondContact O-N 3.48Å; Q230-K233 PolarHBondContact O-N 3.05Å; I231-K233 PolarHBondContact O-N 3.01Å; K233-Q236 PolarHBondContact O-N 2.7Å; K233-Q237 WeakPolarHBondContact O-CG 3.31Å; K233-Q237 PolarHBondContact O-N 2.89Å; K233-Q237 VanDerWaalsContact O-N 3.11Å
234Q94.3Very high93.7Very high117 Ų117103.4 Ų103.455%0.54751%0.514SS..Hα-helixtrans-65.3-40.1171.7-71.8-178.34.600111.9Q230 I231 E232 Q236 Q237 M238Q230-Q234 PolarHBondContact O-N 3.43Å; I231-Q234 PolarHBondContact O-N 3Å; E232-Q234 VanDerWaalsContact C-N 3.35Å; E232-Q234 PolarHBondContact O-N 3Å; Q234-Q236 VanDerWaalsContact C-N 3.34Å; Q234-Q236 PolarHBondContact O-N 3.44Å; Q234-Q237 PolarHBondContact O-N 2.8Å; Q234-M238 WeakPolarHBondContact O-CB 3.35Å; Q234-M238 PolarHBondContact O-N 2.82Å
235R94.5Very high93.9Very high153 Ų153101.6 Ų101.658%0.57751%0.507SS*.Hα-helixtrans-61.9-41176.5-165.1179.872.699.24.1111.9I231 E232 M238 E239I231-R235 PolarHBondContact O-N 3.26Å; E232-R235 VanDerWaalsContact CD-NH2 3.35Å; E232-R235 WeakPolarHBondContact O-CB 3.44Å; E232-R235 PolarHBondContact O-N 3.08Å; E232-R235 VanDerWaalsContact O-N 3.14Å; E232-R235 IonicContact OE1-CZ 2.7Å; E232-R235 IonicContact OE1-NE 3.18Å; E232-R235 PolarHBondContact OE1-NE 2.82Å; E232-R235 IonicContact OE1-NH2 2.6Å; E232-R235 PolarHBondContact OE1-NH2 3.28Å; E232-R235 IonicContact OE2-CZ 3.54Å; E232-R235 IonicContact OE2-NE 2.66Å; E232-R235 PolarHBondContact OE2-NE 3.03Å; E232-R235 IonicContact OE2-NH2 2.69Å; E232-R235 PolarHBondContact OE2-NH2 3.36Å; E232-R235 VanDerWaalsContact OE2-NH2 3.16Å; R235-M238 PolarHBondContact O-N 2.66Å; R235-E239 WeakPolarHBondContact O-CB 3.49Å; R235-E239 PolarHBondContact O-N 3.46Å
236Q96Very high93.9Very high115 Ų11598.8 Ų98.854%0.53750%0.496SS..Hα-helixtrans-65.5-41.5175.6-70.8172.213.700112.2E232 K233 Q234 E239 L240E232-Q236 WeakPolarHBondContact O-CG 3.28Å; E232-Q236 PolarHBondContact O-N 3.13Å; E232-Q236 PolarHBondContact OE1-NE2 2.98Å; K233-Q236 PolarHBondContact O-N 2.7Å; Q234-Q236 VanDerWaalsContact C-N 3.34Å; Q234-Q236 PolarHBondContact O-N 3.44Å; Q236-E239 PolarHBondContact O-N 2.89Å; Q236-L240 WeakPolarHBondContact O-CB 3.19Å; Q236-L240 PolarHBondContact O-N 3.14Å
237Q92.9Very high94Very high124 Ų12499.2 Ų99.258%0.57950%0.495SS*.Hα-helixtrans-62.9-42.3173.4-73.6-179.4-20.200112.3K233 Q234 L240 A241K233-Q237 WeakPolarHBondContact O-CG 3.31Å; K233-Q237 PolarHBondContact O-N 2.89Å; K233-Q237 VanDerWaalsContact O-N 3.11Å; Q234-Q237 PolarHBondContact O-N 2.8Å; Q237-L240 PolarHBondContact O-N 3.24Å; Q237-A241 WeakPolarHBondContact O-CB 3.27Å; Q237-A241 PolarHBondContact O-N 2.66Å
238M92.4Very high94.1Very high122 Ų122100.6 Ų100.660%0.60150%0.495SS*.Hα-helixtrans-64-41.7176.6-174.2-176.6-69.600112.1Q234 R235 A241 K242Q234-M238 WeakPolarHBondContact O-CB 3.35Å; Q234-M238 PolarHBondContact O-N 2.82Å; R235-M238 PolarHBondContact O-N 2.66Å; M238-A241 PolarHBondContact O-N 2.9Å; M238-K242 WeakPolarHBondContact O-CB 3.4Å; M238-K242 PolarHBondContact O-N 2.92Å
239E94.6Very high94.3Very high72 Ų72100.2 Ų100.234%0.33649%0.493SS..Hα-helixtrans-69.1-38177.7-174.555.5-138.800112R235 Q236 K242 Q243R235-E239 WeakPolarHBondContact O-CB 3.49Å; R235-E239 PolarHBondContact O-N 3.46Å; Q236-E239 PolarHBondContact O-N 2.89Å; E239-K242 WeakPolarHBondContact O-CB 3.41Å; E239-K242 PolarHBondContact O-N 3.29Å; E239-K242 IonicContact OE1-NZ 2.61Å; E239-K242 PolarHBondContact OE1-NZ 3.05Å; E239-K242 IonicContact OE2-NZ 2.68Å; E239-K242 PolarHBondContact OE2-NZ 3.49Å; E239-Q243 WeakPolarHBondContact O-CG 3.31Å; E239-Q243 PolarHBondContact O-N 2.95Å
240L96Very high94.4Very high98 Ų98102.6 Ų102.651%0.51349%0.489SS..Hα-helixtrans-61.8-45.3172.5179.462.6000111.8Q236 Q237 K242 Q243 Q244Q236-L240 WeakPolarHBondContact O-CB 3.19Å; Q236-L240 PolarHBondContact O-N 3.14Å; Q237-L240 PolarHBondContact O-N 3.24Å; L240-K242 VanDerWaalsContact C-N 3.32Å; L240-K242 PolarHBondContact O-N 3.46Å; L240-Q243 PolarHBondContact O-N 3.42Å; L240-Q244 WeakPolarHBondContact O-CG 3.23Å; L240-Q244 PolarHBondContact O-N 2.92Å
241A94.9Very high94.6Very high54 Ų54103.1 Ų103.145%0.44649%0.492SS..Hα-helixtrans-61.6-40.4175.300000111.8Q237 M238 Q244 Q245Q237-A241 WeakPolarHBondContact O-CB 3.27Å; Q237-A241 PolarHBondContact O-N 2.66Å; M238-A241 PolarHBondContact O-N 2.9Å; A241-Q244 PolarHBondContact O-N 2.87Å; A241-Q245 WeakPolarHBondContact O-CB 3.22Å; A241-Q245 PolarHBondContact O-N 3.38Å
242K96.3Very high94.7Very high112 Ų112103.1 Ų103.149%0.48749%0.489SS..Hα-helixtrans-62.8-40.1173.7166.3168.8156.3-820112.6M238 E239 L240 Q245 E246M238-K242 WeakPolarHBondContact O-CB 3.4Å; M238-K242 PolarHBondContact O-N 2.92Å; E239-K242 WeakPolarHBondContact O-CB 3.41Å; E239-K242 PolarHBondContact O-N 3.29Å; E239-K242 IonicContact OE1-NZ 2.61Å; E239-K242 PolarHBondContact OE1-NZ 3.05Å; E239-K242 IonicContact OE2-NZ 2.68Å; E239-K242 PolarHBondContact OE2-NZ 3.49Å; L240-K242 VanDerWaalsContact C-N 3.32Å; L240-K242 PolarHBondContact O-N 3.46Å; K242-Q245 WeakPolarHBondContact O-CB 3.3Å; K242-Q245 PolarHBondContact O-N 3.11Å; K242-E246 PolarHBondContact O-N 3.23Å
243Q95.9Very high94.8Very high102 Ų102106.1 Ų106.148%0.47750%0.503SS..Hα-helixtrans-65.8-41.9174.8-72.4175.121.300112.1E239 L240 E246 Q247E239-Q243 WeakPolarHBondContact O-CG 3.31Å; E239-Q243 PolarHBondContact O-N 2.95Å; L240-Q243 PolarHBondContact O-N 3.42Å; Q243-E246 PolarHBondContact O-N 3.42Å; Q243-Q247 WeakPolarHBondContact O-CG 3.26Å; Q243-Q247 PolarHBondContact O-N 3.34Å
244Q95Very high94.8Very high118 Ų118105.6 Ų105.655%0.55150%0.503SS*.Hα-helixtrans-60.9-44.6172.8-69.7178.4-1.700111.5L240 A241 E246 Q247 I248L240-Q244 WeakPolarHBondContact O-CG 3.23Å; L240-Q244 PolarHBondContact O-N 2.92Å; A241-Q244 PolarHBondContact O-N 2.87Å; Q244-E246 VanDerWaalsContact C-N 3.3Å; Q244-E246 PolarHBondContact O-N 3.02Å; Q244-Q247 PolarHBondContact O-N 2.85Å; Q244-I248 WeakPolarHBondContact O-CG1 3.37Å; Q244-I248 PolarHBondContact O-N 2.65Å
245Q94.3Very high94.9Very high60 Ų60105.5 Ų105.528%0.2851%0.506SS..Hα-helixtrans-60.1-38.9175.9-170.964.771.400112.4A241 K242 A249 Y342A241-Q245 WeakPolarHBondContact O-CB 3.22Å; A241-Q245 PolarHBondContact O-N 3.38Å; K242-Q245 WeakPolarHBondContact O-CB 3.3Å; K242-Q245 PolarHBondContact O-N 3.11Å; Q245-A249 WeakPolarHBondContact O-CB 3.49Å; Q245-A249 PolarHBondContact O-N 2.78Å; Q245-Y342 PolarHBondContact NE2-OH 2.94Å; Q245-Y342 PolarHBondContact OE1-OH 3.18Å; Q245-Y342 VanDerWaalsContact OE1-OH 3.05Å
246E95.3Very high94.8Very high90 Ų90103.5 Ų103.542%0.42151%0.506SS..Hα-helixtrans-69.7-40.3177.4-160.2-171.114300112.2K242 Q243 Q244 I248 A249 R250K242-E246 PolarHBondContact O-N 3.23Å; Q243-E246 PolarHBondContact O-N 3.42Å; Q244-E246 VanDerWaalsContact C-N 3.3Å; Q244-E246 PolarHBondContact O-N 3.02Å; E246-I248 VanDerWaalsContact C-N 3.34Å; E246-I248 PolarHBondContact O-N 2.85Å; E246-A249 PolarHBondContact O-N 2.86Å; E246-R250 WeakPolarHBondContact O-CB 3.17Å; E246-R250 VanDerWaalsContact O-CG 3.27Å; E246-R250 WeakPolarHBondContact O-CG 3.2Å; E246-R250 PolarHBondContact O-N 3.09Å; E246-R250 IonicContact OE1-CZ 2.72Å; E246-R250 IonicContact OE1-NE 3.97Å; E246-R250 PolarHBondContact OE1-NE 2.9Å; E246-R250 IonicContact OE1-NH2 3.14Å; E246-R250 PolarHBondContact OE1-NH2 3.23Å
247Q93.9Very high94.7Very high126 Ų126103.3 Ų103.359%0.58951%0.505SS*.Hα-helixtrans-61.3-43.1174.3-67.9-69.16.800111.6Q243 Q244 R250 Q251Q243-Q247 WeakPolarHBondContact O-CG 3.26Å; Q243-Q247 PolarHBondContact O-N 3.34Å; Q244-Q247 PolarHBondContact O-N 2.85Å; Q247-R250 PolarHBondContact O-N 3.32Å; Q247-Q251 PolarHBondContact O-N 2.87Å
248I94.3Very high94.8Very high72 Ų72102.9 Ų102.937%0.36950%0.503SS..Hα-helixtrans-61.7-44.3174.4-67.1166.2000110.7Q244 E246 R250 Q251 Q252Q244-I248 WeakPolarHBondContact O-CG1 3.37Å; Q244-I248 PolarHBondContact O-N 2.65Å; E246-I248 VanDerWaalsContact C-N 3.34Å; E246-I248 PolarHBondContact O-N 2.85Å; I248-R250 PolarHBondContact O-N 3.11Å; I248-Q251 PolarHBondContact O-N 3.48Å; I248-Q252 WeakPolarHBondContact O-CG 3.47Å; I248-Q252 PolarHBondContact O-N 3.46Å
249A96Very high94.8Very high50 Ų50102.5 Ų102.541%0.41350%0.5SS..Hα-helixtrans-63.5-40.4177.700000112.6Q245 E246 Q252 Q253Q245-A249 WeakPolarHBondContact O-CB 3.49Å; Q245-A249 PolarHBondContact O-N 2.78Å; E246-A249 PolarHBondContact O-N 2.86Å; A249-Q252 PolarHBondContact O-N 3.04Å; A249-Q253 WeakPolarHBondContact O-CB 3.35Å; A249-Q253 PolarHBondContact O-N 2.87Å
250R95.6Very high94.7Very high130 Ų130105.4 Ų105.449%0.49151%0.513SS..Hα-helixtrans-62-43.6173.9-71.6168.3177.8-141.85.2111.4E246 Q247 I248 Q253 Q254E246-R250 WeakPolarHBondContact O-CB 3.17Å; E246-R250 VanDerWaalsContact O-CG 3.27Å; E246-R250 WeakPolarHBondContact O-CG 3.2Å; E246-R250 PolarHBondContact O-N 3.09Å; E246-R250 IonicContact OE1-CZ 2.72Å; E246-R250 IonicContact OE1-NE 3.97Å; E246-R250 PolarHBondContact OE1-NE 2.9Å; E246-R250 IonicContact OE1-NH2 3.14Å; E246-R250 PolarHBondContact OE1-NH2 3.23Å; Q247-R250 PolarHBondContact O-N 3.32Å; I248-R250 PolarHBondContact O-N 3.11Å; R250-Q253 PolarHBondContact O-N 3.39Å; R250-Q254 WeakPolarHBondContact O-CG 3.43Å; R250-Q254 PolarHBondContact O-N 2.94Å
251Q95.3Very high94.5Very high138 Ų138106.9 Ų106.965%0.64552%0.515SS*.Hα-helixtrans-63.8-44.7176.2-171.7-175.383.500112Q247 I248 Q253 Q254 L255Q247-Q251 PolarHBondContact O-N 2.87Å; I248-Q251 PolarHBondContact O-N 3.48Å; Q251-Q253 VanDerWaalsContact C-N 3.31Å; Q251-Q253 PolarHBondContact O-N 3.47Å; Q251-Q254 PolarHBondContact O-N 3.43Å; Q251-L255 PolarHBondContact O-N 2.88Å
252Q94.8Very high94.4Very high112 Ų112108.8 Ų108.852%0.52352%0.517SS..Hα-helixtrans-61.3-38.8175-71-178.623.200112I248 A249 L255 L256I248-Q252 WeakPolarHBondContact O-CG 3.47Å; I248-Q252 PolarHBondContact O-N 3.46Å; A249-Q252 PolarHBondContact O-N 3.04Å; Q252-L255 PolarHBondContact O-N 2.98Å; Q252-L256 WeakPolarHBondContact O-CB 3.42Å; Q252-L256 PolarHBondContact O-N 3.32Å
253Q94.7Very high94.2Very high127 Ų127107.4 Ų107.459%0.59352%0.515SS*.Hα-helixtrans-65-38.7175.6-170.3-176.955.300112.5A249 R250 Q251 Q257A249-Q253 WeakPolarHBondContact O-CB 3.35Å; A249-Q253 PolarHBondContact O-N 2.87Å; R250-Q253 PolarHBondContact O-N 3.39Å; Q251-Q253 VanDerWaalsContact C-N 3.31Å; Q251-Q253 PolarHBondContact O-N 3.47Å; Q253-Q257 PolarHBondContact O-N 2.93Å
254Q94.5Very high94Very high125 Ų125106.7 Ų106.758%0.58451%0.514SS*.Hα-helixtrans-65.3-43.1173.7-71.8-179.91.300111.8R250 Q251 Q257 Q258R250-Q254 WeakPolarHBondContact O-CG 3.43Å; R250-Q254 PolarHBondContact O-N 2.94Å; Q251-Q254 PolarHBondContact O-N 3.43Å; Q254-Q257 PolarHBondContact O-N 3.37Å; Q254-Q258 WeakPolarHBondContact O-CG 3.31Å; Q254-Q258 PolarHBondContact O-N 3.49Å
255L94.9Very high93.7Very high115 Ų115105.7 Ų105.760%0.60251%0.512SS*.Hα-helixtrans-62-43.2176.3-177.362.2000111.6Q251 Q252 Q258 Q259Q251-L255 PolarHBondContact O-N 2.88Å; Q252-L255 PolarHBondContact O-N 2.98Å; L255-Q258 PolarHBondContact O-N 3.43Å; L255-Q259 PolarHBondContact O-N 2.81Å
256L93.8Very high93.4Very high112 Ų112107.5 Ų107.559%0.58652%0.52SS*.Hα-helixtrans-64.2-39.4176.3-172.364.7000112.2Q252 Q259 H260Q252-L256 WeakPolarHBondContact O-CB 3.42Å; Q252-L256 PolarHBondContact O-N 3.32Å; L256-Q259 PolarHBondContact O-N 2.83Å; L256-H260 PolarHBondContact O-N 2.85Å
257Q94Very high93Very high110 Ų110109.2 Ų109.251%0.51453%0.528SS..Hα-helixtrans-62.4-42172.1-97.7-167.771.400112.7Q253 Q254 H260 K261Q253-Q257 PolarHBondContact O-N 2.93Å; Q254-Q257 PolarHBondContact O-N 3.37Å; Q257-H260 PolarHBondContact O-N 3.25Å; Q257-K261 WeakPolarHBondContact O-CG 3.35Å; Q257-K261 PolarHBondContact O-N 2.98Å
258Q94.7Very high92.4Very high115 Ų115108.9 Ų108.954%0.53753%0.527SS..Hα-helixtrans-64.3-44.2176-72.8-175.488.700111.2Q254 L255 H260 K261 I262Q254-Q258 WeakPolarHBondContact O-CG 3.31Å; Q254-Q258 PolarHBondContact O-N 3.49Å; L255-Q258 PolarHBondContact O-N 3.43Å; Q258-H260 VanDerWaalsContact C-N 3.31Å; Q258-H260 PolarHBondContact O-N 3.49Å; Q258-K261 PolarHBondContact O-N 2.89Å; Q258-I262 VanDerWaalsContact O-CG1 3.31Å; Q258-I262 WeakPolarHBondContact O-CG1 3.3Å; Q258-I262 PolarHBondContact O-N 3.41Å
259Q92.1Very high91.7Very high115 Ų115110.8 Ų110.854%0.53754%0.536SS..Hα-helixtrans-58.5-41.9174.9-165.7-160.289.800111.7L255 L256 I262 N263L255-Q259 PolarHBondContact O-N 2.81Å; L256-Q259 PolarHBondContact O-N 2.83Å; Q259-I262 PolarHBondContact O-N 3.41Å; Q259-N263 PolarHBondContact O-N 3.45Å; Q259-N263 PolarHBondContact O-ND2 3.16Å
260H92.1Very high90.7Very high133 Ų133115.2 Ų115.262%0.61655%0.549SS*.Hα-helixtrans-63.7-43.4176.4-175.764.4000112.4L256 Q257 Q258 I262 N263 L264L256-H260 PolarHBondContact O-N 2.85Å; Q257-H260 PolarHBondContact O-N 3.25Å; Q258-H260 VanDerWaalsContact C-N 3.31Å; Q258-H260 PolarHBondContact O-N 3.49Å; H260-I262 PolarHBondContact O-N 3.49Å; H260-N263 PolarHBondContact O-N 3.33Å; H260-L264 PolarHBondContact O-N 3.2Å
261K93.1Very high89.4Confident128 Ų128114.4 Ų114.456%0.55756%0.558SS**Hα-helixtrans-60.8-41.7174.1-71.4176.8-179.3-178.60112.4Q257 Q258 L264 L265Q257-K261 WeakPolarHBondContact O-CG 3.35Å; Q257-K261 PolarHBondContact O-N 2.98Å; Q258-K261 PolarHBondContact O-N 2.89Å; K261-L264 PolarHBondContact O-N 2.74Å; K261-L265 WeakPolarHBondContact O-CB 3.42Å; K261-L265 PolarHBondContact O-N 3.43Å
262I91.4Very high87.7Confident94 Ų94115.3 Ų115.348%0.48256%0.562SS.*Hα-helixtrans-66.3-37178-69.2164000111.4Q258 Q259 H260 Q266Q258-I262 VanDerWaalsContact O-CG1 3.31Å; Q258-I262 WeakPolarHBondContact O-CG1 3.3Å; Q258-I262 PolarHBondContact O-N 3.41Å; Q259-I262 PolarHBondContact O-N 3.41Å; H260-I262 PolarHBondContact O-N 3.49Å; I262-Q266 WeakPolarHBondContact O-CG 3.34Å; I262-Q266 PolarHBondContact O-N 2.98Å; I262-Q266 PolarHBondContact O-NE2 3.39Å
263N91.6Very high85.9Confident84 Ų84112.9 Ų112.945%0.44957%0.567SS.*Hα-helixtrans-66.1-43172.6-82.1-84000112Q259 H260 L265 Q266 Q267Q259-N263 PolarHBondContact O-N 3.45Å; Q259-N263 PolarHBondContact O-ND2 3.16Å; H260-N263 PolarHBondContact O-N 3.33Å; N263-L265 PolarHBondContact O-N 2.72Å; N263-Q266 PolarHBondContact O-N 3.49Å; N263-Q267 WeakPolarHBondContact O-CB 3.17Å; N263-Q267 PolarHBondContact O-N 2.96Å
264L92Very high83.7Confident86 Ų86115 Ų11545%0.4558%0.577SS.*Hα-helixtrans-64.7-39.1177.6-174.263.2000112.3H260 K261 Q267 Q268H260-L264 PolarHBondContact O-N 3.2Å; K261-L264 PolarHBondContact O-N 2.74Å; L264-Q267 PolarHBondContact O-N 3.35Å; L264-Q268 WeakPolarHBondContact O-CG 3.12Å; L264-Q268 PolarHBondContact O-N 3.17Å
265L90.3Very high81.6Confident97 Ų97115.7 Ų115.751%0.50858%0.584SS.*Hα-helixtrans-64.4-46.4173.6-89.7160000112.3K261 N263 Q267 Q268 I269K261-L265 WeakPolarHBondContact O-CB 3.42Å; K261-L265 PolarHBondContact O-N 3.43Å; N263-L265 PolarHBondContact O-N 2.72Å; L265-Q267 VanDerWaalsContact C-N 3.28Å; L265-Q267 PolarHBondContact O-N 2.92Å; L265-Q268 PolarHBondContact O-N 3.44Å; L265-I269 VanDerWaalsContact O-CG1 3.28Å; L265-I269 WeakPolarHBondContact O-CG1 3.29Å; L265-I269 PolarHBondContact O-N 2.97Å
266Q87.2Confident79.6Confident99 Ų99114.7 Ų114.746%0.46358%0.584SS.*Hα-helixtrans-59.8-39.4173.9-78176.998.900112I262 N263 I269 Q270I262-Q266 WeakPolarHBondContact O-CG 3.34Å; I262-Q266 PolarHBondContact O-N 2.98Å; I262-Q266 PolarHBondContact O-NE2 3.39Å; N263-Q266 PolarHBondContact O-N 3.49Å; Q266-I269 PolarHBondContact O-N 3.03Å; Q266-Q270 WeakPolarHBondContact O-CB 3.47Å; Q266-Q270 WeakPolarHBondContact O-CG 3.42Å; Q266-Q270 PolarHBondContact O-N 2.92Å
267Q85.9Confident77.8Confident126 Ų126115.4 Ų115.459%0.58960%0.596SS**Hα-helixtrans-63.6-46.9176-172.2164.587.100111.3N263 L264 L265 I269 Q270 V271N263-Q267 WeakPolarHBondContact O-CB 3.17Å; N263-Q267 PolarHBondContact O-N 2.96Å; L264-Q267 PolarHBondContact O-N 3.35Å; L265-Q267 VanDerWaalsContact C-N 3.28Å; L265-Q267 PolarHBondContact O-N 2.92Å; Q267-I269 PolarHBondContact O-N 3.5Å; Q267-Q270 PolarHBondContact O-N 3.48Å; Q267-Q270 VanDerWaalsContact O-N 3.13Å; Q267-V271 WeakPolarHBondContact O-CG2 3.4Å; Q267-V271 PolarHBondContact O-N 2.9Å
268Q81.4Confident75.8Confident118 Ų118117.4 Ų117.455%0.55161%0.609SS**Hα-helixtrans-57.8-44.7174-74.5-178.53.300112.5L264 L265 Q270 V271 Q272L264-Q268 WeakPolarHBondContact O-CG 3.12Å; L264-Q268 PolarHBondContact O-N 3.17Å; L265-Q268 PolarHBondContact O-N 3.44Å; Q268-Q270 VanDerWaalsContact C-N 3.28Å; Q268-Q270 PolarHBondContact O-N 2.7Å; Q268-V271 PolarHBondContact O-N 3.21Å; Q268-Q272 WeakPolarHBondContact O-CB 3.26Å; Q268-Q272 PolarHBondContact O-N 2.92Å
269I80.4Confident73.3Confident112 Ų112120.5 Ų120.557%0.57463%0.626SS**Hα-helixtrans-62.7-35.8176.6-67.6164.1000111L265 Q266 Q267 G273L265-I269 VanDerWaalsContact O-CG1 3.28Å; L265-I269 WeakPolarHBondContact O-CG1 3.29Å; L265-I269 PolarHBondContact O-N 2.97Å; Q266-I269 PolarHBondContact O-N 3.03Å; Q267-I269 PolarHBondContact O-N 3.5Å; I269-G273 WeakPolarHBondContact O-CA 3.35Å; I269-G273 PolarHBondContact O-N 3.4Å
270Q75.3Confident71.4Confident143 Ų143121.7 Ų121.767%0.66863%0.634SS**Hα-helixtrans-71.6-34.5175.5-75.5176.9-0.900113.4Q266 Q267 Q268Q266-Q270 WeakPolarHBondContact O-CB 3.47Å; Q266-Q270 WeakPolarHBondContact O-CG 3.42Å; Q266-Q270 PolarHBondContact O-N 2.92Å; Q267-Q270 PolarHBondContact O-N 3.48Å; Q267-Q270 VanDerWaalsContact O-N 3.13Å; Q268-Q270 VanDerWaalsContact C-N 3.28Å; Q268-Q270 PolarHBondContact O-N 2.7Å
271V68.8Low69.4Low113 Ų113119.9 Ų119.969%0.68563%0.634SS**Hα-helixtrans-73.4-37173.6-146.30000111.7Q267 Q268Q267-V271 WeakPolarHBondContact O-CG2 3.4Å; Q267-V271 PolarHBondContact O-N 2.9Å; Q268-V271 PolarHBondContact O-N 3.21Å
272Q57.8Low67.2Low158 Ų158120.5 Ų120.574%0.73865%0.648SS**Hα-helixtrans-81.4-23.3-179.5-169.6166.982.700113.1Q268 Q274Q268-Q272 WeakPolarHBondContact O-CB 3.26Å; Q268-Q272 PolarHBondContact O-N 2.92Å; Q272-Q274 PolarHBondContact O-N 2.91Å
273G58.6Low65.2Low60 Ų60124.4 Ų124.462%0.61966%0.662SS**THydrogen-bonded Turntrans-71.4-9.3176.100000114.7I269 L275I269-G273 WeakPolarHBondContact O-CA 3.35Å; I269-G273 PolarHBondContact O-N 3.4Å; G273-L275 PolarHBondContact O-N 3.13Å
274Q48.8Very low63.3Low172 Ų172125.6 Ų125.680%0.80467%0.674SS**  trans-85.943170.1-66-165.80.800112.8Q272Q272-Q274 PolarHBondContact O-N 2.91Å
275L49.9Very low61.3Low139 Ų139127.7 Ų127.773%0.72869%0.694SS**  trans-74.8123.7157.1-87.6162.2000107.9G273G273-L275 PolarHBondContact O-N 3.13Å
276P52.5Low58.8Low95 Ų95129.1 Ų129.162%0.61770%0.702SS**  trans-62145.2177.227-34.1000109.7L278P276-L278 PolarHBondContact O-N 3.06Å
277P55.5Low56.4Low127 Ų127131.8 Ų131.883%0.82571%0.714SS**  trans-63.9102.7-178.626.1-34000110M279P277-M279 PolarHBondContact O-N 2.92Å
278L51.9Low54.2Low151 Ų151137.2 Ų137.279%0.79173%0.729SS**  trans-60123.8170.8-67.9176.1000108.1P276 I280P276-L278 PolarHBondContact O-N 3.06Å; L278-I280 VanDerWaalsContact C-N 3.34Å; L278-I280 PolarHBondContact O-N 3.13Å
279M42.7Very low52.3Low181 Ų181136.7 Ų136.789%0.89273%0.734SS**  trans-68.691.4179.6-76.2-147.37100110.8P277 P281P277-M279 PolarHBondContact O-N 2.92Å; M279-P281 WeakPolarHBondContact O-CD 3.45Å
280I52.4Low50.3Low140 Ų140140.2 Ų140.272%0.71875%0.753SS**  trans-66.5123164.6-59.6175.7000107.2L278 V282L278-I280 VanDerWaalsContact C-N 3.34Å; L278-I280 PolarHBondContact O-N 3.13Å; I280-V282 PolarHBondContact O-N 3.47Å
281P49.8Very low48.5Very low95 Ų95137.2 Ų137.262%0.61775%0.753SS**  trans-61.6120.3175.7-23.134.6000110.6M279 F283M279-P281 WeakPolarHBondContact O-CD 3.45Å; P281-F283 HydrophobicContact CB-CD2 4.49Å; P281-F283 HydrophobicContact CB-CE2 4.25Å; P281-F283 PolarHBondContact O-N 2.86Å
282V46.6Very low47.1Very low140 Ų140136.4 Ų136.485%0.84876%0.758SS**  trans-73.796.1175.2179.90000108.5I280I280-V282 PolarHBondContact O-N 3.47Å
283F49Very low46Very low176 Ų176133.5 Ų133.577%0.77276%0.761SS**  trans-68.3132.7168.5-82.3-89.4000109.8P281P281-F283 HydrophobicContact CB-CD2 4.49Å; P281-F283 HydrophobicContact CB-CE2 4.25Å; P281-F283 PolarHBondContact O-N 2.86Å
284P52.9Low45.1Very low109 Ų109135.1 Ų135.171%0.70877%0.769SS**  trans-62.5135.8178.9-23.234000111.9D286P284-D286 PolarHBondContact O-N 3.42Å; P284-D286 VanDerWaalsContact O-N 3.15Å
285P48.9Very low44.9Very low131 Ų131135.4 Ų135.485%0.85177%0.77SS**  trans-83.688.4179.933.1-33.7000110.6
286D37.7Very low44.6Very low127 Ų127137.5 Ų137.568%0.67978%0.776SS**  trans-150.2145.5167.7-148.75.1000115.6P284P284-D286 PolarHBondContact O-N 3.42Å; P284-D286 VanDerWaalsContact O-N 3.15Å
287Q37.4Very low43.8Very low155 Ų155136.5 Ų136.572%0.72478%0.783SS**  trans38.699.4163.8-72.1164.47200120
288R40.6Very low43.2Very low239 Ų239139.3 Ų139.390%0.90278%0.782SS**  179.7145.4118.5-98.8157.1-166.5-165.73.6115.7
289T40Very low42.7Very low108 Ų108137.8 Ų137.866%0.66377%0.774SS**  trans54.3104145.6-49.50000117.6A291T289-A291 HydrophobicContact CG2-CB 4.04Å
290L39.6Very low42.9Very low186 Ų186136.4 Ų136.497%0.97477%0.77SS**  50.158.556.8-78.6170.1000115
291A36.7Very low42.5Very low80 Ų80134.9 Ų134.966%0.66177%0.769SS**  trans-153.8151.9164.400000112T289T289-A291 HydrophobicContact CG2-CB 4.04Å
292A40.6Very low42Very low95 Ų95136.6 Ų136.679%0.78578%0.78SS**  trans42.8106167.300000117.4
293A33.3Very low41.6Very low97 Ų97133.2 Ų133.280%0.80277%0.774SS**  cis60.8125.919.300000116
294A41.2Very low41.4Very low95 Ų95134.6 Ų134.679%0.78578%0.78SS**  trans97.7142.9171.500000119.1
295Q44.2Very low40.4Very low178 Ų178134.6 Ų134.683%0.83278%0.782SS**  trans76.6134.8167.5-52.8-174.630.200119.3
296Q42.6Very low39.9Very low182 Ų182138.2 Ų138.285%0.8578%0.78SS**  cis-167.8138.5-35.2-125.31708.900111.6
297G37.3Very low40.1Very low74 Ų74141.1 Ų141.176%0.76379%0.787SS**  trans77.8154.1165.500000117.2
298F42Very low39.9Very low186 Ų186138.9 Ų138.982%0.81680%0.795SS**  cis-155.6115.7-6.7-161.9-99000112.2
299L41Very low39.6Very low119 Ų119131.4 Ų131.462%0.62379%0.793SS**  trans45.3113.4149.1-45.7-167.9000120.1
300L46.5Very low39.2Very low152 Ų152132.3 Ų132.380%0.79680%0.801SS**  79.7159.577.1-74177.2000115
301P45.1Very low38.9Very low108 Ų108128 Ų12870%0.70179%0.787SS**  cis-136.7169.2-29.137-21.1000114.6
302P39.3Very low38.9Very low131 Ų131131 Ų13185%0.85179%0.792SS**  trans-101.3146.416336.4-29.9000113.5
303G37.2Very low38.9Very low69 Ų69132 Ų13271%0.71179%0.791SS**  trans132.8126152.800000118.1
304F45.9Very low39.4Very low206 Ų206137.6 Ų137.690%0.90479%0.793SS**  trans-153.9146.5148.3-103.2-73.9000108.6
305S31.5Very low39.5Very low108 Ų108137.9 Ų137.976%0.75579%0.786SS**  trans-158122.3-178.6177.40000111.4
306Y39Very low39.4Very low207 Ų207136.5 Ų136.581%0.81279%0.79SS**  trans-150.1112.6170-87.1-70.6000113.7
307K40.6Very low39.2Very low189 Ų189135.5 Ų135.582%0.82279%0.785SS**  trans35.5109.3147.7-63.1-168.5175-173.20121.9
308A33.8Very low39Very low108 Ų108139.1 Ų139.189%0.89379%0.786SS**  42.9118.4117.500000121.3
309G33.9Very low39Very low82 Ų82137.6 Ų137.685%0.84579%0.785SS**  trans-157.9154.316500000110.9
310C31.4Very low39.1Very low126 Ų126137.1 Ų137.185%0.85179%0.789SS**  trans-78.8166-166-146.10000115.7
311S34.9Very low38.7Very low96 Ų96135.9 Ų135.967%0.67179%0.788SS**  trans43.4113.315554.60000118.4
312D36.7Very low38.8Very low144 Ų144136.9 Ų136.977%0.7779%0.792SS**  -174.5151.368.3-115.7-44.3000112.2
313P39.3Very low39Very low116 Ų116139 Ų13975%0.75379%0.793SS**  trans-133.6110.5166.535.6-18.4000114.8
314Y43.2Very low39.1Very low214 Ų214140 Ų14084%0.83979%0.794SS**  trans-147.7152.2172.8-96.4-89.4000110.5
315P44.2Very low38.9Very low101 Ų101135 Ų13566%0.65679%0.791SS**  cis-124.5150.8-49.734.4-20.7000112
316V42.1Very low39.5Very low149 Ų149134.6 Ų134.690%0.90379%0.794SS**PPolyproline II helixtrans-81.7133.5171.8177.90000110.2
317Q37.4Very low39.7Very low160 Ų160129.9 Ų129.975%0.74880%0.798SS**PPolyproline II helixtrans-72.9158.5-171.5-76.7-80.450.800114.9
318L34.5Very low39.8Very low150 Ų150125.8 Ų125.879%0.78580%0.799SS**PPolyproline II helixtrans-68136.1-172-65.873.3000114.1
319I41.1Very low40.3Very low155 Ų155124.6 Ų124.680%0.79579%0.79SS**  trans-135.1123.2146.2-57.3-177.9000107.4T321I319-T321 PolarHBondContact O-N 3.42Å
320P44.4Very low41.3Very low108 Ų108125.9 Ų125.970%0.70178%0.781SS**  trans-68.4124.2-174.9-2435.3000114.9T322P320-T322 PolarHBondContact O-N 2.85Å
321T37.7Very low42Very low126 Ų126126.4 Ų126.477%0.77378%0.783SS**  trans-74.4100.9176.6-57.90000112.2I319 A324I319-T321 PolarHBondContact O-N 3.42Å; T321-A324 HydrophobicContact CG2-CB 4.38Å
322T45.9Very low42.8Very low129 Ų129125.5 Ų125.579%0.79179%0.789SS**  trans-130.78.4171.254.60000114.7P320P320-T322 PolarHBondContact O-N 2.85Å
323M43.5Very low43.8Very low176 Ų176123 Ų12387%0.86778%0.775SS**SBendtrans-132.565-179.9-65.8-164.371.800113.4
324A40.6Very low45.3Very low89 Ų89119.1 Ų119.174%0.73676%0.756SS**SBendtrans-138.8-6.6179.400000116.2T321T321-A324 HydrophobicContact CG2-CB 4.38Å
325A41.5Very low46.5Very low101 Ų101114.4 Ų114.484%0.83575%0.752SS**SBendtrans-106.9-10.5-163.800000116.7
326A44Very low47.7Very low101 Ų101115.3 Ų115.384%0.83575%0.75SS**SBendtrans-99.6-9.9-167.700000115.8
327A42.5Very low49.2Very low108 Ų108113.4 Ų113.489%0.89373%0.731SS**SBendtrans-94.4-1.8-168.800000115.3
328A44.1Very low51Low102 Ų102111.2 Ų111.284%0.84373%0.725SS**SBendtrans-103.74.9-165.600000115.6
329A44.3Very low53.1Low84 Ų84110.8 Ų110.869%0.69472%0.719SS**SBendtrans-12726.7-159.700000116.6
330T53.9Low54.8Low109 Ų109109.1 Ų109.167%0.66971%0.707SS**  trans-162.1104.7161.40.10000112.9
331P46.6Very low56.4Low136 Ų136109.5 Ų109.588%0.88370%0.703SS**THydrogen-bonded Turntrans-79.5124.1167.931.1-30.8000110.3
332G51.7Low58.2Low78 Ų78107.8 Ų107.880%0.80468%0.683SS**THydrogen-bonded Turntrans132.9-5.617100000117.2G334G332-G334 PolarHBondContact O-N 2.9Å; G332-G334 VanDerWaalsContact O-N 3.16Å
333L56.5Low59.5Low92 Ų92104.2 Ų104.248%0.48267%0.666SS.*  trans-72.8107.1176.9-70.4171.8000111.2Q337L333-Q337 HydrophobicContact CD2-CB 4.12Å; L333-Q337 VanDerWaalsContact CD2-OE1 3.32Å
334G72.3Confident61.1Low34 Ų3498.6 Ų98.635%0.35165%0.648SS.*  trans-62.1159.4176.600000113.2G332 L336 Q337 L338G332-G334 PolarHBondContact O-N 2.9Å; G332-G334 VanDerWaalsContact O-N 3.16Å; G334-L336 PolarHBondContact O-N 3.29Å; G334-Q337 PolarHBondContact O-N 2.87Å; G334-L338 PolarHBondContact O-N 3.11Å
335P68.2Low62.6Low114 Ų11499.5 Ų99.574%0.7464%0.637SS**Hα-helixtrans-58.5-28.2-168.321.7-33.9000114.3L338 Q339P335-L338 PolarHBondContact O-N 3.45Å; P335-Q339 WeakPolarHBondContact O-CB 3.27Å; P335-Q339 PolarHBondContact O-N 2.64Å
336L69.1Low64Low120 Ų12097.7 Ų97.763%0.62861%0.613SS**Hα-helixtrans-69.4-32.4176.5-167.2133.2000112.9G334 Q340G334-L336 PolarHBondContact O-N 3.29Å; L336-Q340 WeakPolarHBondContact O-CG 3.49Å; L336-Q340 PolarHBondContact O-N 2.93Å
337Q72.9Confident64.9Low109 Ų10995.5 Ų95.551%0.50960%0.595SS.*Hα-helixtrans-76.9-36.7173.1-69.7-163.757.500111.7L333 G334 Q339 Q340 L341L333-Q337 HydrophobicContact CD2-CB 4.12Å; L333-Q337 VanDerWaalsContact CD2-OE1 3.32Å; G334-Q337 PolarHBondContact O-N 2.87Å; Q337-Q339 VanDerWaalsContact C-N 3.29Å; Q337-Q339 PolarHBondContact O-N 3.38Å; Q337-Q340 PolarHBondContact O-N 2.95Å; Q337-L341 WeakPolarHBondContact O-CB 3.39Å; Q337-L341 PolarHBondContact O-N 2.94Å
338L76.6Confident65.7Low115 Ų11593.4 Ų93.460%0.60258%0.578SS**Hα-helixtrans-60.3-41.4171.9-174.266.2000111.3G334 P335 L341 Y342G334-L338 PolarHBondContact O-N 3.11Å; P335-L338 PolarHBondContact O-N 3.45Å; L338-L341 PolarHBondContact O-N 3.05Å; L338-Y342 WeakPolarHBondContact O-CB 3.36Å; L338-Y342 PolarHBondContact O-N 3.11Å
339Q77.6Confident66.5Low141 Ų14195.9 Ų95.966%0.65957%0.574SS**Hα-helixtrans-69.8-33.7175.7-172.9156.676.600113P335 Q337 A343P335-Q339 WeakPolarHBondContact O-CB 3.27Å; P335-Q339 PolarHBondContact O-N 2.64Å; Q337-Q339 VanDerWaalsContact C-N 3.29Å; Q337-Q339 PolarHBondContact O-N 3.38Å; Q339-A343 VanDerWaalsContact O-CB 3.28Å; Q339-A343 WeakPolarHBondContact O-CB 3.24Å; Q339-A343 PolarHBondContact O-N 2.76Å
340Q77.6Confident67.1Low119 Ų11998.7 Ų98.756%0.55657%0.572SS**Hα-helixtrans-67.2-40.2170.4-77.1179.613.400112.4L336 Q337 A343 A344L336-Q340 WeakPolarHBondContact O-CG 3.49Å; L336-Q340 PolarHBondContact O-N 2.93Å; Q337-Q340 PolarHBondContact O-N 2.95Å; Q340-A343 PolarHBondContact O-N 3.21Å; Q340-A344 VanDerWaalsContact O-CB 3.31Å; Q340-A344 WeakPolarHBondContact O-CB 3.46Å; Q340-A344 PolarHBondContact O-N 2.87Å
341L77.9Confident66.9Low116 Ų11698.4 Ų98.461%0.60757%0.57SS**Hα-helixtrans-63.7-43.2176.8-161.479.9000111Q337 L338 A344 Q345Q337-L341 WeakPolarHBondContact O-CB 3.39Å; Q337-L341 PolarHBondContact O-N 2.94Å; L338-L341 PolarHBondContact O-N 3.05Å; L341-A344 PolarHBondContact O-N 2.8Å; L341-Q345 WeakPolarHBondContact O-CB 3.2Å; L341-Q345 PolarHBondContact O-N 3.03Å
342Y75.3Confident66.9Low91 Ų9197.3 Ų97.336%0.35757%0.566SS.*Hα-helixtrans-65.3-41.5175.1-173.9-117.9000112.4Q245 L338 Q345 L346Q245-Y342 PolarHBondContact NE2-OH 2.94Å; Q245-Y342 PolarHBondContact OE1-OH 3.18Å; Q245-Y342 VanDerWaalsContact OE1-OH 3.05Å; L338-Y342 WeakPolarHBondContact O-CB 3.36Å; L338-Y342 PolarHBondContact O-N 3.11Å; Y342-Q345 PolarHBondContact O-N 2.95Å; Y342-L346 HydrophobicContact CD1-CD1 4.01Å; Y342-L346 HydrophobicContact CE1-CD1 3.77Å; Y342-L346 WeakPolarHBondContact O-CG 3.45Å; Y342-L346 PolarHBondContact O-N 3.44Å
343A73.4Confident66.8Low54 Ų5499.9 Ų99.945%0.44657%0.568SS.*Hα-helixtrans-65-37.3173.600000112.4Q339 Q340 L346 A347Q339-A343 VanDerWaalsContact O-CB 3.28Å; Q339-A343 WeakPolarHBondContact O-CB 3.24Å; Q339-A343 PolarHBondContact O-N 2.76Å; Q340-A343 PolarHBondContact O-N 3.21Å; A343-L346 PolarHBondContact O-N 3.14Å; A343-A347 WeakPolarHBondContact O-CB 3.5Å; A343-A347 PolarHBondContact O-N 3.44Å
344A75.5Confident65.9Low58 Ų5899.4 Ų99.448%0.47959%0.586SS.*Hα-helixtrans-67-37.3173.800000111.8Q340 L341 A347 A348Q340-A344 VanDerWaalsContact O-CB 3.31Å; Q340-A344 WeakPolarHBondContact O-CB 3.46Å; Q340-A344 PolarHBondContact O-N 2.87Å; L341-A344 PolarHBondContact O-N 2.8Å; A344-A347 PolarHBondContact O-N 3.47Å; A344-A348 WeakPolarHBondContact O-CB 3.33Å; A344-A348 PolarHBondContact O-N 3.06Å
345Q73.2Confident64.2Low108 Ų108100.9 Ų100.951%0.50560%0.601SS.*Hα-helixtrans-65.3-43.7173.5-168.2171.819.200111.7L341 Y342 A347 A348 M349L341-Q345 WeakPolarHBondContact O-CB 3.2Å; L341-Q345 PolarHBondContact O-N 3.03Å; Y342-Q345 PolarHBondContact O-N 2.95Å; Q345-A347 VanDerWaalsContact C-N 3.28Å; Q345-A347 PolarHBondContact O-N 3.4Å; Q345-A348 PolarHBondContact O-N 3.34Å; Q345-M349 WeakPolarHBondContact O-CG 3.48Å; Q345-M349 PolarHBondContact O-N 3.31Å
346L70Confident62.8Low62 Ų62105.4 Ų105.433%0.32561%0.609SS.*Hα-helixtrans-65.9-26.8174-72170.8000113.5Y342 A343 Q350Y342-L346 HydrophobicContact CD1-CD1 4.01Å; Y342-L346 HydrophobicContact CE1-CD1 3.77Å; Y342-L346 WeakPolarHBondContact O-CG 3.45Å; Y342-L346 PolarHBondContact O-N 3.44Å; A343-L346 PolarHBondContact O-N 3.14Å; L346-Q350 PolarHBondContact O-NE2 2.97Å
347A63.1Low61.5Low56 Ų56108 Ų10846%0.46362%0.623SS.*Hα-helixtrans-76.9-42.4171.300000111.8A343 A344 Q345 M349 Q350A343-A347 WeakPolarHBondContact O-CB 3.5Å; A343-A347 PolarHBondContact O-N 3.44Å; A344-A347 PolarHBondContact O-N 3.47Å; Q345-A347 VanDerWaalsContact C-N 3.28Å; Q345-A347 PolarHBondContact O-N 3.4Å; A347-M349 VanDerWaalsContact C-N 3.32Å; A347-M349 PolarHBondContact O-N 2.99Å; A347-Q350 PolarHBondContact O-N 2.85Å; A347-Q350 VanDerWaalsContact O-N 3.09Å
348A60.1Low60Low64 Ų64108.1 Ų108.153%0.52963%0.632SS.*Hα-helixtrans-62.8-36.7177.100000112.3A344 Q345 Q350 V351A344-A348 WeakPolarHBondContact O-CB 3.33Å; A344-A348 PolarHBondContact O-N 3.06Å; Q345-A348 PolarHBondContact O-N 3.34Å; A348-Q350 PolarHBondContact O-N 3.05Å; A348-V351 WeakPolarHBondContact O-CG2 3.33Å; A348-V351 PolarHBondContact O-N 3.48Å
349M60.6Low57.7Low154 Ų154106.4 Ų106.476%0.75964%0.643SS**THydrogen-bonded Turntrans-68.7-7.3174.7-71.2-177.770.700114.4Q345 A347Q345-M349 WeakPolarHBondContact O-CG 3.48Å; Q345-M349 PolarHBondContact O-N 3.31Å; A347-M349 VanDerWaalsContact C-N 3.32Å; A347-M349 PolarHBondContact O-N 2.99Å
350Q56.3Low56Low142 Ų142107 Ų10766%0.66465%0.649SS**THydrogen-bonded Turntrans-104.78.3177.2-73.6177.787.100113.7L346 A347 A348L346-Q350 PolarHBondContact O-NE2 2.97Å; A347-Q350 PolarHBondContact O-N 2.85Å; A347-Q350 VanDerWaalsContact O-N 3.09Å; A348-Q350 PolarHBondContact O-N 3.05Å
351V50.4Low54Low104 Ų104107 Ų10763%0.6366%0.66SS**SBendtrans-118.780.4179.7-71.90000113.7A348A348-V351 WeakPolarHBondContact O-CG2 3.33Å; A348-V351 PolarHBondContact O-N 3.48Å
352S45.9Very low51.8Low112 Ų112111.3 Ų111.378%0.78368%0.676SS**  trans72.3164160.1-46.50000115.6
353P51Low50Low133 Ų133110.8 Ų110.886%0.86470%0.699SS**  -130.4101.668.833.5-17.1000113.5G355P353-G355 PolarHBondContact O-N 3.37Å
354G37.2Very low48.1Very low82 Ų82115.3 Ų115.385%0.84572%0.716SS**  trans-87.889.816800000110.9
355G36.2Very low46.3Very low65 Ų65120.1 Ų120.167%0.6773%0.732SS**  trans137.398.317000000115.4P353P353-G355 PolarHBondContact O-N 3.37Å
356K39.2Very low44.4Very low209 Ų209118.4 Ų118.491%0.90974%0.743SS**  trans178.7113.2149.4-101.4157.8-174.1177.80109.6
357L41.6Very low42.8Very low175 Ų175120.6 Ų120.692%0.91677%0.77SS**  trans-128.7151.6153.2-80.8177.3000108.1
358P40.8Very low41.7Very low110 Ų110121.9 Ų121.971%0.71478%0.781SS**  trans-97.6151.6-148.436.2-35.5000114.5
359G30.1Very low40.9Very low80 Ų80125 Ų12583%0.82579%0.794SS**  trans-89.6136.5168.100000112.4
360I40.3Very low39.6Very low153 Ų153123.3 Ų123.379%0.78580%0.797SS**  trans-146.6157.9168.1-3.7176.6000107.5
361P36.2Very low39Very low120 Ų120122.1 Ų122.178%0.77980%0.801SS**  -111.3179.1-91.838.8-30.5000113.5G363P361-G363 PolarHBondContact O-N 2.95Å
362Q31.9Very low38.3Very low205 Ų205123.2 Ų123.296%0.95881%0.808SS**  trans-62.7129.9178.3-64.8179.6-88.900112.7
363G37.2Very low37.7Very low80 Ų80122.8 Ų122.883%0.82581%0.805SS**  trans-119.3141.9159.600000109.4P361P361-G363 PolarHBondContact O-N 2.95Å
364N32.8Very low37.3Very low150 Ų150123.5 Ų123.580%0.80280%0.8SS**  trans-101.4170.5-174.3-170.328.2000112
365L38.4Very low37.4Very low159 Ų159127.4 Ų127.483%0.83280%0.796SS**  trans76.8134.1177.8-43.6172.5000114.3
366G34Very low37.5Very low71 Ų71130.3 Ų130.373%0.73280%0.801SS**  cis149.6114.1-13.300000113.6
367A36.6Very low37.3Very low108 Ų108127.3 Ų127.389%0.89380%0.795SS**  trans64.7153.117600000116
368A38Very low37.2Very low83 Ų83128.3 Ų128.369%0.68679%0.792SS**  cis-161.1171.2-14.200000111.6
369V43.7Very low37.1Very low131 Ų131127.5 Ų127.579%0.79479%0.789SS**  trans52.6112.4158.7-67.40000122.2
370S34.8Very low37.3Very low118 Ų118129.4 Ų129.483%0.82579%0.785SS**  38.3148.4125.2-53.90000124.3
371P43.3Very low37.1Very low117 Ų117129.6 Ų129.676%0.7679%0.787SS**  trans-103.2178.2-171.242.3-38.1000115.3
372T35.5Very low37.1Very low126 Ų126129.3 Ų129.377%0.77379%0.788SS**  161.2145.8126.5-65.20000112.2
373S32.6Very low37.5Very low104 Ų104125 Ų12573%0.72778%0.778SS**  trans69.8160.5171.1-107.20000116.2
374I41.9Very low37.8Very low148 Ų148126.5 Ų126.576%0.75977%0.773SS**  cis-145.4171.913.814.7172.2000111.5
375H39.3Very low38.1Very low163 Ų163125.3 Ų125.376%0.75577%0.774SS**  trans-21.1159.2165.1-56.9-88.6000119
376T38.3Very low38.1Very low126 Ų126127.1 Ų127.177%0.77378%0.775SS**  cis-165.817041.5-280000112.7
377D35.4Very low38.3Very low147 Ų147129.1 Ų129.179%0.78678%0.778SS**  trans-65.9162.6-179.3-47.9-106.5000116.8
378K40.3Very low38.8Very low196 Ų196133.6 Ų133.685%0.85278%0.777SS**  162.6144.9109.3-173.6161.5-179176.20115.8
379S38.2Very low38.9Very low92 Ų92136.2 Ų136.264%0.64378%0.779SS**  trans70.287.1159.2-77.10000122.7
380T34.4Very low39Very low121 Ų121138.5 Ų138.574%0.74278%0.781SS**  37.5137.2111.659.50000123.4
381N36.9Very low39.2Very low157 Ų157139 Ų13984%0.8478%0.779SS**  trans98108.3148.7-68.53000121.3
382S35.9Very low39.3Very low113 Ų113138.1 Ų138.179%0.7978%0.782SS**  trans-72.8179.5145.7-129.30000110.3
383P39.8Very low39.5Very low115 Ų115139.8 Ų139.875%0.74778%0.781SS**  cis-139.6-138.132.231.9-3.6000114.2
384P43.2Very low40.2Very low111 Ų111140.1 Ų140.172%0.72178%0.781SS**  -115.6172.7-92.837.6-21.8000114.6
385P39.7Very low40.2Very low126 Ų126138.9 Ų138.982%0.81878%0.775SS**  trans-89.6167.1-168.835.9-37.2000116.1
386K38.7Very low40.1Very low197 Ų197137.2 Ų137.286%0.85777%0.771SS**  trans-143.9131.4168.8-77-168175.2-175.60113.9
387S36.9Very low40.1Very low113 Ų113138.3 Ų138.379%0.7977%0.772SS**  trans33.2126.4145.962.40000122.1
388K48.8Very low40.2Very low201 Ų201136.5 Ų136.587%0.87477%0.771SS**  trans-155.3138135.2-163.6171.4-179.2-176.80113
389D39.9Very low40.3Very low138 Ų138131.9 Ų131.974%0.73877%0.769SS**  trans-79.5157.4179.4-50-108.7000114.7
390E45.1Very low40.3Very low179 Ų179136.7 Ų136.784%0.83678%0.778SS**  -167.7128.7106.5-106.8-160.576.200115.4
391V40Very low40.8Very low128 Ų128137.1 Ų137.178%0.77678%0.783SS**  trans44.2112.6137.9-1790000121.6
392A44.4Very low40.7Very low99 Ų99139.2 Ų139.282%0.81879%0.785SS**  -166.2132118.400000112.6
393Q39.2Very low40.8Very low161 Ų161140.5 Ų140.575%0.75279%0.788SS**  trans-105.4-177.6173.5-112.5-165.817.400110.6
394P47.6Very low40.9Very low112 Ų112139.4 Ų139.473%0.72778%0.783SS**  cis-131.3-16217.730.7-5.6000113.5
395L42.7Very low40.7Very low121 Ų121142.3 Ų142.363%0.63479%0.793SS**  cis-157.5138.6-42.8-93167.4000106
396N36.5Very low40.7Very low128 Ų128140 Ų14068%0.68479%0.791SS**  52.1141.994.1-77.8-114.5000117.5
397L38Very low40.7Very low150 Ų150140.7 Ų140.779%0.78580%0.795SS**  cis-171.6174.5-18.6-120.3-169.7000110.5
398S38.9Very low40.8Very low108 Ų108140.6 Ų140.676%0.75579%0.794SS**  trans98.9122.2143.7-147.80000123.7
399A40.3Very low40.7Very low99 Ų99136.3 Ų136.382%0.81879%0.787SS**  trans78.7154.513600000124.7
400K40.1Very low40.7Very low193 Ų193136.1 Ų136.184%0.83979%0.791SS**  trans-119.4167-169.2-130169.6-171.1166.80109.1
401P43.3Very low40.4Very low130 Ų130133 Ų13384%0.84479%0.789SS**  -153.6-165.785.839.1-17.5000116
402K34.7Very low40.8Very low201 Ų201132.4 Ų132.487%0.87479%0.788SS**  trans-104.6148.1-175.3-82.5-173.4171.4-173.10114.6
403T38.8Very low40.6Very low140 Ų140134.2 Ų134.286%0.85979%0.789SS**  trans-165.6167.1154.728.90000108.6
404S42.5Very low40.6Very low93 Ų93131.6 Ų131.665%0.6579%0.788SS**  cis-169.6132.6-41.450.70000110.1
405D37.6Very low40.6Very low171 Ų171131.8 Ų131.891%0.91479%0.789SS**  trans37.1137.7158.8-63.4-81.8000123.6
406G40.2Very low40.4Very low77 Ų77133.8 Ų133.879%0.79480%0.795SS**  trans-169-3.1-178.100000124.1
407K39.4Very low40.5Very low213 Ų213135.6 Ų135.693%0.92680%0.801SS**  trans51149.8168.6-77.6177.7178171.80122.6
408S38.2Very low40.6Very low111 Ų111134.1 Ų134.178%0.77680%0.8SS**  trans-106-162.7-170-11.40000112.8
409P47.6Very low40.4Very low111 Ų111133.3 Ų133.372%0.72180%0.801SS**  cis-140.7-161.5-29.733.1-10000114.5
410T39.6Very low40.4Very low133 Ų133136 Ų13682%0.81680%0.801SS**  trans118.6164.9149.571.10000120.5
411S37.8Very low40.2Very low114 Ų114136.9 Ų136.980%0.79780%0.798SS**  trans-155.3-162.6-168-42.90000108.7
412P48.9Very low40.1Very low116 Ų116137.9 Ų137.975%0.75380%0.795SS**  cis-134.5-160.8-18.440.8-21.6000113.1
413T40.1Very low40.2Very low137 Ų137135.1 Ų135.184%0.8479%0.79SS**  trans144.8158.5139.4-60.30000116.1
414S39Very low40.1Very low105 Ų105133.6 Ų133.673%0.73479%0.785SS**  trans-151-163-178.6-152.50000108.1
415P48Very low39.8Very low116 Ų116132.9 Ų132.975%0.75379%0.792SS**  cis-134.3-173-19.443.8-27.3000114.2
416H39.3Very low39.9Very low164 Ų164130.2 Ų130.276%0.75979%0.794SS**  trans-167.2155.2144.9-163.8-110000114.1
417M38.8Very low40Very low166 Ų166129.8 Ų129.882%0.81879%0.79SS**  trans-157.4150.8173-83.4-75.5166.600109.3
418P39.5Very low40.3Very low118 Ų118125.7 Ų125.777%0.76679%0.785SS**  -149.7-175.2119.834.8-14.8000115.4
419A34.2Very low40.3Very low92 Ų92128.3 Ų128.376%0.7679%0.789SS**  trans-121.9-173.9-170.100000113.7
420L40Very low39.7Very low156 Ų156132.3 Ų132.382%0.81780%0.795SS**  trans153.3156.4154.3-83165.8000109.8
421R36.2Very low39.3Very low210 Ų210130.5 Ų130.579%0.79279%0.794SS**  cis-173.4157.9-36-139.5-167.2-150.9-167.28.6110
422I41.4Very low39.3Very low152 Ų152130.7 Ų130.778%0.77980%0.795SS**  trans60.3156.7165.38.3-177.2000116.3
423N37Very low38.9Very low143 Ų143131.5 Ų131.577%0.76580%0.798SS**  cis-152.6167.115.2-174.244.6000115
424S37.3Very low39.2Very low108 Ų108130.9 Ų130.976%0.75580%0.796SS**  trans-64162-177.8-41.80000118.8
425G36.2Very low39.1Very low78 Ų78130.7 Ų130.780%0.80480%0.8SS**  trans-170.9143164.200000114.3
426A39.9Very low38.4Very low114 Ų114128.8 Ų128.894%0.94280%0.795SS**  trans-85.1176.9-179.800000112.7
427G41.8Very low38.5Very low69 Ų69129.2 Ų129.271%0.71180%0.802SS**  cis-178.6174.63.400000111.3
428P44.8Very low38.5Very low126 Ų126125.2 Ų125.282%0.81880%0.795SS**  trans-114.7147.8-157.839.3-31.7000117.8
429L38.2Very low38.5Very low166 Ų166125 Ų12587%0.86980%0.797SS**  trans-153.2157.5158.1-71.9-177.2000107.5
430K35Very low39.2Very low196 Ų196126.3 Ų126.385%0.85280%0.797SS**  cis-145.6-163.6-2.8-146.3176.5-178.7179.60108.7
431A32.9Very low39.1Very low94 Ų94124.1 Ų124.178%0.77780%0.795SS**  trans-141157.1177.900000113.6
432S36.6Very low39.3Very low118 Ų118119 Ų11983%0.82580%0.798SS**  trans-161.6156.1150.8-161.60000110.7
433V41.6Very low39.3Very low134 Ų134123.4 Ų123.481%0.81280%0.804SS**  trans-146.4173.2-174-106.60000110.1
434P46.2Very low39.6Very low123 Ų123123.7 Ų123.780%0.79981%0.811SS**  trans-118.7177.6-133.944.5-36.9000116.8
435A36.4Very low39.6Very low101 Ų101123.9 Ų123.984%0.83581%0.812SS**  trans-159.6164.6163.300000108.2
436A34.3Very low39.9Very low76 Ų76126.4 Ų126.463%0.62881%0.813SS**  cis-176179.7-27.300000107
437L39.6Very low40Very low174 Ų174128.8 Ų128.891%0.91181%0.808SS**  trans68.5153174.4-54.6113.6000116.3
438A39.7Very low40.3Very low82 Ų82128.1 Ų128.168%0.67880%0.8SS**  cis-161.5150.3-27.500000112.1
439S39.3Very low40.7Very low114 Ų114131.6 Ų131.680%0.79780%0.799SS**  trans5.2162.6144.1-600000122.8
440P48.7Very low41.4Very low118 Ų118130.9 Ų130.977%0.76680%0.795SS**  cis-145.8-168.8-27.139.5-19.6000115.5
441S38.4Very low42.4Very low110 Ų110127.7 Ų127.777%0.76979%0.787SS**  trans83.7102.1143.3-179.80000121.8
442A40.7Very low44Very low104 Ų104128.1 Ų128.186%0.8678%0.776SS**  trans-146.8157.4140.700000109.9
443R40.4Very low45.9Very low243 Ų243129.3 Ų129.392%0.91777%0.769SS**  trans-111.6127-172.1-46.2174.7-164.8164.13.5112.3
444V44.5Very low47.9Very low149 Ų149128.7 Ų128.790%0.90376%0.761SS**  trans-145.5144.7157.4-175.50000109
445S35.8Very low49.5Very low112 Ų112125.4 Ų125.478%0.78374%0.744SS**  trans-88.2128.5-174.9-49.90000113.5
446T42.2Very low51.6Low132 Ų132124.7 Ų124.781%0.8173%0.729SS**  trans-140.8131.7156.6-61.20000109.3
447I43.8Very low54.1Low164 Ų164123.3 Ų123.384%0.84171%0.713SS**  trans-101.1142.3-177.7-64.3168.7000109.5
448G46.8Very low56.5Low54 Ų54121 Ų12156%0.55770%0.695SS**SBendtrans137-50159.800000116.8
449Y53.2Low58.6Low199 Ų199119.7 Ų119.778%0.7869%0.685SS**THydrogen-bonded Turntrans-99.611.9-151.6-68.1-79.1000117.8
450L52.3Low60.9Low152 Ų152118.3 Ų118.380%0.79667%0.668SS**THydrogen-bonded Turntrans-89.2-25.7-178.2-80.7165.5000114.6D452L450-D452 PolarHBondContact O-N 3.04Å
451N56.6Low62.7Low128 Ų128118.7 Ų118.768%0.68466%0.659SS**Hα-helixtrans-72.2-27.3-173.1-69.9-3.7000113.9H453 D454 A455N451-H453 VanDerWaalsContact C-N 3.33Å; N451-H453 PolarHBondContact O-N 3.38Å; N451-D454 PolarHBondContact O-N 2.99Å; N451-A455 PolarHBondContact O-N 2.9Å
452D66.5Low65.1Low103 Ų103117.6 Ų117.655%0.55164%0.642SS**Hα-helixtrans-69.4-29.2-173.3-68.4-40.5000113L450 A455 V456L450-D452 PolarHBondContact O-N 3.04Å; D452-A455 PolarHBondContact O-N 3.29Å; D452-V456 WeakPolarHBondContact O-CB 3.37Å; D452-V456 VanDerWaalsContact O-CG2 3.31Å; D452-V456 WeakPolarHBondContact O-CG2 3.45Å; D452-V456 PolarHBondContact O-N 2.93Å
453H77.7Confident67.2Low144 Ų144115.5 Ų115.567%0.66763%0.625SS**Hα-helixtrans-68.9-40177.1-165.5-64.3000111.6N451 T457N451-H453 VanDerWaalsContact C-N 3.33Å; N451-H453 PolarHBondContact O-N 3.38Å; H453-T457 PolarHBondContact ND1-OG1 2.79Å; H453-T457 VanDerWaalsContact O-CB 3.26Å; H453-T457 WeakPolarHBondContact O-CB 3.43Å; H453-T457 PolarHBondContact O-N 2.9Å; H453-T457 PolarHBondContact O-OG1 3.35Å
454D82.3Confident69.6Low120 Ų120112.6 Ų112.664%0.64261%0.614SS**Hα-helixtrans-69.9-37.6173.2-82.6-37.7000111.6N451 T457 K458N451-D454 PolarHBondContact O-N 2.99Å; D454-T457 PolarHBondContact O-N 3.32Å; D454-K458 VanDerWaalsContact O-CB 3.29Å; D454-K458 WeakPolarHBondContact O-CB 3.26Å; D454-K458 PolarHBondContact O-N 3.36Å
455A80.8Confident71.8Confident55 Ų55112 Ų11246%0.45560%0.601SS.*Hα-helixtrans-61-46.2174.200000112.2N451 D452 A459N451-A455 PolarHBondContact O-N 2.9Å; D452-A455 PolarHBondContact O-N 3.29Å; A455-A459 WeakPolarHBondContact O-CB 3.29Å; A455-A459 PolarHBondContact O-N 2.73Å
456V79.4Confident74.3Confident85 Ų85112.2 Ų112.252%0.51559%0.591SS.*Hα-helixtrans-66.4-40.6175.4169.90000111.3D452 A459 I460D452-V456 WeakPolarHBondContact O-CB 3.37Å; D452-V456 VanDerWaalsContact O-CG2 3.31Å; D452-V456 WeakPolarHBondContact O-CG2 3.45Å; D452-V456 PolarHBondContact O-N 2.93Å; V456-A459 PolarHBondContact O-N 2.97Å; V456-I460 HydrophobicContact CG1-CD1 3.81Å; V456-I460 HydrophobicContact CG1-CG1 4.49Å; V456-I460 VanDerWaalsContact O-CG1 3.29Å; V456-I460 WeakPolarHBondContact O-CG1 3.47Å; V456-I460 PolarHBondContact O-N 3.48Å
457T86.6Confident76.2Confident47 Ų47113.2 Ų113.229%0.28858%0.584SS.*Hα-helixtrans-65-43.3178-58.60000111.2H453 D454 I460 Q461H453-T457 PolarHBondContact ND1-OG1 2.79Å; H453-T457 VanDerWaalsContact O-CB 3.26Å; H453-T457 WeakPolarHBondContact O-CB 3.43Å; H453-T457 PolarHBondContact O-N 2.9Å; H453-T457 PolarHBondContact O-OG1 3.35Å; D454-T457 PolarHBondContact O-N 3.32Å; T457-I460 PolarHBondContact O-N 3.36Å; T457-Q461 WeakPolarHBondContact O-CG 3.45Å; T457-Q461 PolarHBondContact O-N 3.03Å
458K90.6Very high78.1Confident125 Ų125108.8 Ų108.854%0.54356%0.56SS.*Hα-helixtrans-60.8-47.6172-178.1177.9179.8-70.60111.2D454 I460 Q461 E462D454-K458 VanDerWaalsContact O-CB 3.29Å; D454-K458 WeakPolarHBondContact O-CB 3.26Å; D454-K458 PolarHBondContact O-N 3.36Å; K458-I460 VanDerWaalsContact C-N 3.29Å; K458-I460 PolarHBondContact O-N 2.69Å; K458-Q461 PolarHBondContact O-N 2.96Å; K458-Q461 VanDerWaalsContact O-N 3.1Å; K458-E462 IonicContact NZ-OE2 2.72Å; K458-E462 PolarHBondContact NZ-OE2 3.25Å; K458-E462 VanDerWaalsContact O-CB 3.28Å; K458-E462 WeakPolarHBondContact O-CB 3.33Å; K458-E462 PolarHBondContact O-N 2.99Å
459A84Confident79.9Confident55 Ų55110.9 Ų110.946%0.45556%0.555SS.*Hα-helixtrans-59.8-37.9178.400000112.5A455 V456 A463A455-A459 WeakPolarHBondContact O-CB 3.29Å; A455-A459 PolarHBondContact O-N 2.73Å; V456-A459 PolarHBondContact O-N 2.97Å; A459-A463 VanDerWaalsContact O-CB 3.27Å; A459-A463 WeakPolarHBondContact O-CB 3.42Å; A459-A463 PolarHBondContact O-N 2.97Å
460I86.6Confident81.2Confident85 Ų85106.4 Ų106.444%0.43654%0.544SS..Hα-helixtrans-68.8-38.6174.6-69.1166.8000111.6V456 T457 K458 R464V456-I460 HydrophobicContact CG1-CD1 3.81Å; V456-I460 HydrophobicContact CG1-CG1 4.49Å; V456-I460 VanDerWaalsContact O-CG1 3.29Å; V456-I460 WeakPolarHBondContact O-CG1 3.47Å; V456-I460 PolarHBondContact O-N 3.48Å; T457-I460 PolarHBondContact O-N 3.36Å; K458-I460 VanDerWaalsContact C-N 3.29Å; K458-I460 PolarHBondContact O-N 2.69Å; I460-R464 VanDerWaalsContact O-CG 3.24Å; I460-R464 WeakPolarHBondContact O-CG 3.45Å; I460-R464 PolarHBondContact O-N 3.18Å; I460-R464 VanDerWaalsContact O-N 3.11Å
461Q87.7Confident82.7Confident127 Ų127105.6 Ų105.659%0.59353%0.531SS*.Hα-helixtrans-67.3-42.3174.3-71.6179.914.200111.9T457 K458 R464 Q465T457-Q461 WeakPolarHBondContact O-CG 3.45Å; T457-Q461 PolarHBondContact O-N 3.03Å; K458-Q461 PolarHBondContact O-N 2.96Å; K458-Q461 VanDerWaalsContact O-N 3.1Å; Q461-R464 WeakPolarHBondContact O-CB 3.49Å; Q461-R464 PolarHBondContact O-N 3.11Å; Q461-Q465 PolarHBondContact O-N 3.44Å
462E88.7Confident83.8Confident86 Ų86106.5 Ų106.540%0.40253%0.525SS..Hα-helixtrans-66.5-42.2179.1-166.6167.7153.500111.4K458 R464 Q465 M466K458-E462 IonicContact NZ-OE2 2.72Å; K458-E462 PolarHBondContact NZ-OE2 3.25Å; K458-E462 VanDerWaalsContact O-CB 3.28Å; K458-E462 WeakPolarHBondContact O-CB 3.33Å; K458-E462 PolarHBondContact O-N 2.99Å; E462-R464 VanDerWaalsContact C-N 3.31Å; E462-R464 PolarHBondContact O-N 3.01Å; E462-Q465 PolarHBondContact O-N 3.41Å; E462-M466 VanDerWaalsContact O-CB 3.32Å; E462-M466 WeakPolarHBondContact O-CB 3.47Å; E462-M466 PolarHBondContact O-N 3.29Å
463A84.9Confident84.4Confident61 Ų61106.2 Ų106.250%0.50452%0.52SS..Hα-helixtrans-62.7-35.1171.200000112.7A459 K467A459-A463 VanDerWaalsContact O-CB 3.27Å; A459-A463 WeakPolarHBondContact O-CB 3.42Å; A459-A463 PolarHBondContact O-N 2.97Å; A463-K467 WeakPolarHBondContact O-CB 3.36Å; A463-K467 PolarHBondContact O-N 3.47Å
464R89.8Confident84.2Confident181 Ų181104.8 Ų104.868%0.68351%0.514SS*.Hα-helixtrans-68.3-43.4172.5-73.7170.7-176.9-159.12.8111.7I460 Q461 E462 K467 E468I460-R464 VanDerWaalsContact O-CG 3.24Å; I460-R464 WeakPolarHBondContact O-CG 3.45Å; I460-R464 PolarHBondContact O-N 3.18Å; I460-R464 VanDerWaalsContact O-N 3.11Å; Q461-R464 WeakPolarHBondContact O-CB 3.49Å; Q461-R464 PolarHBondContact O-N 3.11Å; E462-R464 VanDerWaalsContact C-N 3.31Å; E462-R464 PolarHBondContact O-N 3.01Å; R464-K467 PolarHBondContact O-N 3.38Å; R464-E468 PolarHBondContact O-N 2.99Å
465Q91.2Very high83.8Confident136 Ų136104.3 Ų104.364%0.63651%0.507SS*.Hα-helixtrans-62.3-46.4177.1-176.1178.27.200111.2Q461 E462 K467 E468 Q469Q461-Q465 PolarHBondContact O-N 3.44Å; E462-Q465 PolarHBondContact O-N 3.41Å; Q465-K467 PolarHBondContact O-N 2.95Å; Q465-E468 CarbonylContact O-C 3.59Å; Q465-E468 PolarHBondContact O-N 3.5Å; Q465-E468 VanDerWaalsContact O-N 3.15Å; Q465-Q469 PolarHBondContact O-N 3.38Å
466M87.8Confident83.5Confident117 Ų117105.5 Ų105.558%0.57651%0.509SS*.Hα-helixtrans-62.2-41.5177.6-167.1-175.1-63.100111.5E462 E468 Q469 L470E462-M466 VanDerWaalsContact O-CB 3.32Å; E462-M466 WeakPolarHBondContact O-CB 3.47Å; E462-M466 PolarHBondContact O-N 3.29Å; M466-E468 VanDerWaalsContact C-N 3.32Å; M466-E468 PolarHBondContact O-N 3.45Å; M466-Q469 PolarHBondContact O-N 3.03Å; M466-L470 WeakPolarHBondContact O-CB 3.32Å; M466-L470 PolarHBondContact O-N 3.32Å
467K83.6Confident83.1Confident154 Ų154106.2 Ų106.267%0.6751%0.509SS*.Hα-helixtrans-63-36.9173.9-161.6-166.172.4171.40112.5A463 R464 Q465 R471A463-K467 WeakPolarHBondContact O-CB 3.36Å; A463-K467 PolarHBondContact O-N 3.47Å; R464-K467 PolarHBondContact O-N 3.38Å; Q465-K467 PolarHBondContact O-N 2.95Å; K467-R471 WeakPolarHBondContact O-CB 3.31Å; K467-R471 PolarHBondContact O-N 3.32Å
468E83.7Confident82.3Confident70 Ų70109 Ų10933%0.32752%0.522SS..Hα-helixtrans-76.4-31.8177.2-165.360-152.300112.4R464 Q465 M466 R471 R472R464-E468 PolarHBondContact O-N 2.99Å; Q465-E468 CarbonylContact O-C 3.59Å; Q465-E468 PolarHBondContact O-N 3.5Å; Q465-E468 VanDerWaalsContact O-N 3.15Å; M466-E468 VanDerWaalsContact C-N 3.32Å; M466-E468 PolarHBondContact O-N 3.45Å; E468-R471 PolarHBondContact O-N 2.69Å; E468-R471 WeakPolarHBondContact OE1-CD 3.24Å; E468-R471 IonicContact OE1-NE 2.64Å; E468-R472 WeakPolarHBondContact O-CG 3.28Å; E468-R472 PolarHBondContact O-N 3.39Å
469Q83.9Confident81.4Confident99 Ų99104.7 Ų104.746%0.46351%0.514SS..Hα-helixtrans-63-49.2168.8176.4171.1-1700110.7Q465 M466 R471 R472 E473Q465-Q469 PolarHBondContact O-N 3.38Å; M466-Q469 PolarHBondContact O-N 3.03Å; Q469-R471 PolarHBondContact O-N 2.91Å; Q469-R472 CarbonylContact O-C 3.57Å; Q469-R472 WeakPolarHBondContact O-CA 3.39Å; Q469-R472 WeakPolarHBondContact O-CB 3.43Å; Q469-R472 PolarHBondContact O-N 2.95Å; Q469-E473 HydrophobicContact CG-CG 4.4Å; Q469-E473 VanDerWaalsContact CG-OE1 3.28Å; Q469-E473 WeakPolarHBondContact CG-OE1 3.37Å; Q469-E473 PolarHBondContact NE2-OE1 2.99Å; Q469-E473 PolarHBondContact O-N 3.45Å
470L80.9Confident80.6Confident104 Ų104108.5 Ų108.555%0.54552%0.52SS..Hα-helixtrans-63.6-31.7179.4-143.3148.6000111.6M466 Q474M466-L470 WeakPolarHBondContact O-CB 3.32Å; M466-L470 PolarHBondContact O-N 3.32Å; L470-Q474 VanDerWaalsContact O-CB 3.25Å; L470-Q474 WeakPolarHBondContact O-CB 3.47Å; L470-Q474 PolarHBondContact O-N 3.39Å
471R82.6Confident79.7Confident136 Ų136108.4 Ų108.451%0.51352%0.523SS..Hα-helixtrans-64.8-43.3168.1173.9176.916074.46.7112.8K467 E468 Q469 Q474 Q475K467-R471 WeakPolarHBondContact O-CB 3.31Å; K467-R471 PolarHBondContact O-N 3.32Å; E468-R471 PolarHBondContact O-N 2.69Å; E468-R471 WeakPolarHBondContact OE1-CD 3.24Å; E468-R471 IonicContact OE1-NE 2.64Å; Q469-R471 PolarHBondContact O-N 2.91Å; R471-Q474 PolarHBondContact O-N 3.04Å; R471-Q475 WeakPolarHBondContact O-CG 3.22Å; R471-Q475 PolarHBondContact O-N 3.33Å
472R81.3Confident78.8Confident147 Ų147104.9 Ų104.956%0.55552%0.516SS*.Hα-helixtrans-66.6-42.9175.6-71.9-174.6-17097.24.5111.8E468 Q469 Q474 Q475 V476E468-R472 WeakPolarHBondContact O-CG 3.28Å; E468-R472 PolarHBondContact O-N 3.39Å; Q469-R472 CarbonylContact O-C 3.57Å; Q469-R472 WeakPolarHBondContact O-CA 3.39Å; Q469-R472 WeakPolarHBondContact O-CB 3.43Å; Q469-R472 PolarHBondContact O-N 2.95Å; R472-Q474 VanDerWaalsContact C-N 3.31Å; R472-Q474 PolarHBondContact O-N 2.68Å; R472-Q475 PolarHBondContact O-N 2.98Å; R472-V476 WeakPolarHBondContact O-CG2 3.04Å; R472-V476 PolarHBondContact O-N 3.4Å
473E78.5Confident77.8Confident96 Ų96104.6 Ų104.645%0.44952%0.52SS..Hα-helixtrans-62.8-38.3175.1-73.2172.3-168.100111.3Q469 V476 L477Q469-E473 HydrophobicContact CG-CG 4.4Å; Q469-E473 VanDerWaalsContact CG-OE1 3.28Å; Q469-E473 WeakPolarHBondContact CG-OE1 3.37Å; Q469-E473 PolarHBondContact NE2-OE1 2.99Å; Q469-E473 PolarHBondContact O-N 3.45Å; E473-V476 CarbonylContact O-C 3.43Å; E473-V476 PolarHBondContact O-N 2.97Å; E473-L477 WeakPolarHBondContact O-CB 3.23Å; E473-L477 WeakPolarHBondContact O-CG 3.35Å; E473-L477 PolarHBondContact O-N 2.85Å
474Q73Confident76.7Confident115 Ų115106 Ų10654%0.53752%0.522SS..Hα-helixtrans-65.8-40.6172.2-169.9132.886.500112.3L470 R471 R472 V476 L477 D478L470-Q474 VanDerWaalsContact O-CB 3.25Å; L470-Q474 WeakPolarHBondContact O-CB 3.47Å; L470-Q474 PolarHBondContact O-N 3.39Å; R471-Q474 PolarHBondContact O-N 3.04Å; R472-Q474 VanDerWaalsContact C-N 3.31Å; R472-Q474 PolarHBondContact O-N 2.68Å; Q474-V476 VanDerWaalsContact C-N 3.34Å; Q474-V476 PolarHBondContact O-N 2.99Å; Q474-L477 PolarHBondContact O-N 3.48Å; Q474-D478 WeakPolarHBondContact O-CB 3.44Å; Q474-D478 PolarHBondContact O-N 2.9Å
475Q73.5Confident75.1Confident109 Ų109103.9 Ų103.951%0.50952%0.524SS..Hα-helixtrans-67.5-32172.6-71.3-168.9-71.700113.2R471 R472 G479R471-Q475 WeakPolarHBondContact O-CG 3.22Å; R471-Q475 PolarHBondContact O-N 3.33Å; R472-Q475 PolarHBondContact O-N 2.98Å; Q475-G479 PolarHBondContact O-N 3.44Å
476V75.8Confident73.5Confident81 Ų81102.1 Ų102.149%0.49153%0.527SS..Hα-helixtrans-72.5-32.5172.5169.60000111.1R472 E473 Q474 K480R472-V476 WeakPolarHBondContact O-CG2 3.04Å; R472-V476 PolarHBondContact O-N 3.4Å; E473-V476 CarbonylContact O-C 3.43Å; E473-V476 PolarHBondContact O-N 2.97Å; Q474-V476 VanDerWaalsContact C-N 3.34Å; Q474-V476 PolarHBondContact O-N 2.99Å; V476-K480 HydrophobicContact CG1-CD 4.12Å; V476-K480 VanDerWaalsContact O-CB 3.29Å; V476-K480 WeakPolarHBondContact O-CB 3.17Å; V476-K480 WeakPolarHBondContact O-CG 3.31Å; V476-K480 PolarHBondContact O-N 3.27Å
477L70.4Confident71.6Confident100 Ų100101.7 Ų101.752%0.52453%0.527SS..Hα-helixtrans-71.4-47.1172.4-79.3165.4000111.5E473 Q474 G479 K480 V481E473-L477 WeakPolarHBondContact O-CB 3.23Å; E473-L477 WeakPolarHBondContact O-CG 3.35Å; E473-L477 PolarHBondContact O-N 2.85Å; Q474-L477 PolarHBondContact O-N 3.48Å; L477-G479 VanDerWaalsContact C-N 3.28Å; L477-G479 PolarHBondContact O-N 3.49Å; L477-K480 CarbonylContact O-C 3.28Å; L477-K480 PolarHBondContact O-N 3.48Å; L477-K480 VanDerWaalsContact O-N 3.15Å; L477-V481 WeakPolarHBondContact O-CB 3.49Å; L477-V481 VanDerWaalsContact O-CG2 3.29Å; L477-V481 WeakPolarHBondContact O-CG2 3.4Å; L477-V481 PolarHBondContact O-N 3.12Å
478D69.3Low69.2Low104 Ų10496.8 Ų96.856%0.55652%0.519SS*.Hα-helixtrans-59-41172.7-75.1-26.2000110.8Q474 V481 A482Q474-D478 WeakPolarHBondContact O-CB 3.44Å; Q474-D478 PolarHBondContact O-N 2.9Å; D478-V481 PolarHBondContact O-N 3.37Å; D478-A482 VanDerWaalsContact O-CB 3.26Å; D478-A482 WeakPolarHBondContact O-CB 3.26Å; D478-A482 PolarHBondContact O-N 3.47Å
479G71.9Confident67.3Low36 Ų36100.7 Ų100.737%0.37154%0.542SS..Hα-helixtrans-63.2-43.3173.200000113.1Q475 L477 A482 V483Q475-G479 PolarHBondContact O-N 3.44Å; L477-G479 VanDerWaalsContact C-N 3.28Å; L477-G479 PolarHBondContact O-N 3.49Å; G479-A482 PolarHBondContact O-N 3.13Å; G479-V483 WeakPolarHBondContact O-CB 3.47Å; G479-V483 VanDerWaalsContact O-CG2 3.31Å; G479-V483 WeakPolarHBondContact O-CG2 3.4Å; G479-V483 PolarHBondContact O-N 2.88Å
480K67.7Low65.1Low134 Ų134102.2 Ų102.258%0.58355%0.553SS**Hα-helixtrans-68.4-37.6175.4-78.4173.9178.9-177.20112.4V476 L477 V483 V484V476-K480 HydrophobicContact CG1-CD 4.12Å; V476-K480 VanDerWaalsContact O-CB 3.29Å; V476-K480 WeakPolarHBondContact O-CB 3.17Å; V476-K480 WeakPolarHBondContact O-CG 3.31Å; V476-K480 PolarHBondContact O-N 3.27Å; L477-K480 CarbonylContact O-C 3.28Å; L477-K480 PolarHBondContact O-N 3.48Å; L477-K480 VanDerWaalsContact O-N 3.15Å; K480-V483 PolarHBondContact O-N 3.02Å; K480-V484 WeakPolarHBondContact O-CB 3.31Å; K480-V484 VanDerWaalsContact O-CG2 3.27Å; K480-V484 WeakPolarHBondContact O-CG2 3.33Å; K480-V484 PolarHBondContact O-N 3.01Å
481V68.1Low63.2Low83 Ų83104.9 Ų104.950%0.50357%0.568SS.*Hα-helixtrans-68.6-39.4174.8169.60000110.5L477 D478 V484 N485L477-V481 WeakPolarHBondContact O-CB 3.49Å; L477-V481 VanDerWaalsContact O-CG2 3.29Å; L477-V481 WeakPolarHBondContact O-CG2 3.4Å; L477-V481 PolarHBondContact O-N 3.12Å; D478-V481 PolarHBondContact O-N 3.37Å; V481-V484 PolarHBondContact O-N 3.3Å; V481-N485 WeakPolarHBondContact O-CB 3.49Å; V481-N485 PolarHBondContact O-N 3.03Å
482A67.6Low60.8Low53 Ų53103.2 Ų103.244%0.43858%0.576SS.*Hα-helixtrans-62.5-42.5171.400000111.6D478 G479 N485 S486D478-A482 VanDerWaalsContact O-CB 3.26Å; D478-A482 WeakPolarHBondContact O-CB 3.26Å; D478-A482 PolarHBondContact O-N 3.47Å; G479-A482 PolarHBondContact O-N 3.13Å; A482-N485 PolarHBondContact O-N 2.8Å; A482-S486 WeakPolarHBondContact O-CB 3.32Å; A482-S486 PolarHBondContact O-N 3.25Å; A482-S486 PolarHBondContact O-OG 3.19Å
483V68.6Low58.6Low80 Ų80108 Ų10849%0.48559%0.594SS.*Hα-helixtrans-65.6-40174.6167.80000112G479 K480 S486 L487G479-V483 WeakPolarHBondContact O-CB 3.47Å; G479-V483 VanDerWaalsContact O-CG2 3.31Å; G479-V483 WeakPolarHBondContact O-CG2 3.4Å; G479-V483 PolarHBondContact O-N 2.88Å; K480-V483 PolarHBondContact O-N 3.02Å; V483-S486 CarbonylContact O-C 3.6Å; V483-S486 PolarHBondContact O-N 3.26Å; V483-L487 HydrophobicContact CG1-CD1 3.8Å; V483-L487 HydrophobicContact CG1-CG 4.42Å; V483-L487 WeakPolarHBondContact O-CB 3.45Å; V483-L487 WeakPolarHBondContact O-CG 3.4Å; V483-L487 PolarHBondContact O-N 2.94Å
484V60.9Low56.8Low91 Ų91109.8 Ų109.855%0.55261%0.612SS**Hα-helixtrans-72.5-32177.3168.50000112.4K480 V481 S486 L487K480-V484 WeakPolarHBondContact O-CB 3.31Å; K480-V484 VanDerWaalsContact O-CG2 3.27Å; K480-V484 WeakPolarHBondContact O-CG2 3.33Å; K480-V484 PolarHBondContact O-N 3.01Å; V481-V484 PolarHBondContact O-N 3.3Å; V484-S486 VanDerWaalsContact C-N 3.34Å; V484-L487 CarbonylContact O-C 3.4Å
485N56.4Low55Low137 Ų137113.3 Ų113.373%0.73363%0.628SS**Hα-helixtrans-71.2-28.5168-88.45000112.5V481 A482V481-N485 WeakPolarHBondContact O-CB 3.49Å; V481-N485 PolarHBondContact O-N 3.03Å; A482-N485 PolarHBondContact O-N 2.8Å
486S57.8Low53.5Low99 Ų99117.5 Ų117.569%0.69265%0.645SS**Hα-helixtrans-80.9-29.8177.1-56.20000112.5A482 V483 V484A482-S486 WeakPolarHBondContact O-CB 3.32Å; A482-S486 PolarHBondContact O-N 3.25Å; A482-S486 PolarHBondContact O-OG 3.19Å; V483-S486 CarbonylContact O-C 3.6Å; V483-S486 PolarHBondContact O-N 3.26Å; V484-S486 VanDerWaalsContact C-N 3.34Å
487L48.5Very low52Low108 Ų108121.4 Ų121.457%0.56566%0.657SS**SBendtrans-102.380.8174.6-64.5175.9000108.9V483 V484 L489V483-L487 HydrophobicContact CG1-CD1 3.8Å; V483-L487 HydrophobicContact CG1-CG 4.42Å; V483-L487 WeakPolarHBondContact O-CB 3.45Å; V483-L487 WeakPolarHBondContact O-CG 3.4Å; V483-L487 PolarHBondContact O-N 2.94Å; V484-L487 CarbonylContact O-C 3.4Å; L487-L489 PolarHBondContact O-N 3.44Å
488G33.8Very low50.7Low50 Ų50122.4 Ų122.452%0.51566%0.658SS.*  trans-60.290.9178.400000112.5N490G488-N490 PolarHBondContact O-N 3.03Å; G488-N490 VanDerWaalsContact O-N 3.09Å; G488-N490 PolarHBondContact O-ND2 3.37Å
489L42.5Very low49.9Very low153 Ų153122.9 Ų122.980%0.80167%0.665SS**  trans-84.181.4-177.7-74.2179.7000111.4L487 N491L487-L489 PolarHBondContact O-N 3.44Å; L489-N491 PolarHBondContact O-N 2.87Å
490N38.4Very low48.9Very low130 Ų130125.9 Ų125.970%0.69568%0.676SS**  trans-78.2105.8173.3-22.2-77.9000109.2G488G488-N490 PolarHBondContact O-N 3.03Å; G488-N490 VanDerWaalsContact O-N 3.09Å; G488-N490 PolarHBondContact O-ND2 3.37Å
491N41.2Very low47.9Very low160 Ų160125.3 Ų125.386%0.85668%0.679SS**  trans-134.490.6172.2-119.79.2000108.8L489L489-N491 PolarHBondContact O-N 2.87Å
492C32.4Very low46.8Very low102 Ų102125.6 Ų125.669%0.68967%0.674SS**  79.47470.8-66.50000115
493R33.4Very low46.1Very low247 Ų247127 Ų12793%0.93268%0.681SS**  trans-162134.8137.8-105.4177.3179.8-156.5-1.9106.9
494T41.6Very low45.3Very low133 Ų133128.3 Ų128.382%0.81668%0.684SS**  cis-115.114813.445.60000113.5
495E35.3Very low45.1Very low189 Ų189128.2 Ų128.288%0.88368%0.684SS**  trans-75.2126.4171.3-65-171.5116.900112.2
496K42.7Very low44.9Very low198 Ų198128.7 Ų128.786%0.86168%0.682SS**SBendtrans-177.7-21.7140-104.4166.8-176.9-178.30113.8
497E43.3Very low44.4Very low162 Ų162131.8 Ų131.876%0.75769%0.685SS**SBendtrans-107.1-1.6-171.9-59.5178.9150.700114.7T500E497-T500 PolarHBondContact O-OG1 3.13Å
498K43.9Very low44.4Very low122 Ų122133.7 Ų133.753%0.5370%0.696SS.*Hα-helixtrans-71.5-40.5-171.2-163.7-177.1-176.8-98.30113.7T500 L501 E502K498-T500 PolarHBondContact O-N 3.25Å; K498-L501 PolarHBondContact O-N 2.73Å; K498-E502 IonicContact NZ-OE1 3.03Å; K498-E502 PolarHBondContact NZ-OE1 3.47Å; K498-E502 IonicContact NZ-OE2 3.23Å; K498-E502 PolarHBondContact NZ-OE2 3.09Å; K498-E502 WeakPolarHBondContact O-CB 3.45Å; K498-E502 PolarHBondContact O-N 2.76Å; K498-E502 VanDerWaalsContact O-N 3.12Å
499T51.8Low44.9Very low114 Ų114135.1 Ų135.170%0.69970%0.703SS**Hα-helixtrans-70-33-171.4450000113.5S503T499-S503 PolarHBondContact O-N 3.09Å
500T51Low44.9Very low99 Ų99133.8 Ų133.861%0.60770%0.701SS**Hα-helixtrans-70.8-38.7174.3320000112.5E497 K498 L504E497-T500 PolarHBondContact O-OG1 3.13Å; K498-T500 PolarHBondContact O-N 3.25Å; T500-L504 PolarHBondContact O-N 3.14Å
501L47.1Very low45Very low122 Ų122137 Ų13764%0.63971%0.708SS**Hα-helixtrans-74.7-36.2-178-163.769.8000113K498 L504 T505K498-L501 PolarHBondContact O-N 2.73Å; L501-L504 PolarHBondContact O-N 3.07Å; L501-T505 PolarHBondContact O-N 3.03Å; L501-T505 VanDerWaalsContact O-N 3.13Å; L501-T505 PolarHBondContact O-OG1 2.95Å
502E44.6Very low44.8Very low89 Ų89138.6 Ų138.642%0.41671%0.71SS.*Hα-helixtrans-71.8-33.5-179-158.6155.4-144.200111.9K498 T505 Q506K498-E502 IonicContact NZ-OE1 3.03Å; K498-E502 PolarHBondContact NZ-OE1 3.47Å; K498-E502 IonicContact NZ-OE2 3.23Å; K498-E502 PolarHBondContact NZ-OE2 3.09Å; K498-E502 WeakPolarHBondContact O-CB 3.45Å; K498-E502 PolarHBondContact O-N 2.76Å; K498-E502 VanDerWaalsContact O-N 3.12Å; E502-T505 PolarHBondContact O-N 2.65Å; E502-Q506 PolarHBondContact O-N 3.19Å
503S53Low45Very low81 Ų81140.2 Ų140.257%0.56671%0.713SS**Hα-helixtrans-62-49.5171.1-173.80000112.2T499 T505 Q506 Q507T499-S503 PolarHBondContact O-N 3.09Å; S503-T505 PolarHBondContact O-N 3.44Å; S503-Q506 PolarHBondContact O-N 3.23Å; S503-Q507 PolarHBondContact O-N 3.15Å
504L50.8Low45.4Very low108 Ų108135.8 Ų135.857%0.56570%0.702SS**Hα-helixtrans-62.9-27.1176.5-97.3163.2000113.5T500 L501T500-L504 PolarHBondContact O-N 3.14Å; L501-L504 PolarHBondContact O-N 3.07Å
505T56.7Low45.1Very low90 Ų90137.9 Ų137.955%0.55270%0.703SS**Hα-helixtrans-75.6-36.5-179.5-57.80000112.3L501 E502 S503L501-T505 PolarHBondContact O-N 3.03Å; L501-T505 VanDerWaalsContact O-N 3.13Å; L501-T505 PolarHBondContact O-OG1 2.95Å; E502-T505 PolarHBondContact O-N 2.65Å; S503-T505 PolarHBondContact O-N 3.44Å
506Q53.2Low45.3Very low147 Ų147132.2 Ų132.269%0.68770%0.695SS**Hα-helixtrans-76.3-24.9-179.5-67.6179.441.600112.8E502 S503 L508E502-Q506 PolarHBondContact O-N 3.19Å; S503-Q506 PolarHBondContact O-N 3.23Å; Q506-L508 PolarHBondContact O-N 3.34Å
507Q47.5Very low45Very low163 Ų163132.1 Ų132.176%0.76270%0.695SS**THydrogen-bonded Turntrans-76.6-6.3-179.9-159.6159.164.700114.1S503S503-Q507 PolarHBondContact O-N 3.15Å
508L48.2Very low44.5Very low149 Ų149133.7 Ų133.778%0.7870%0.7SS**THydrogen-bonded Turntrans-108.55.9-178.8-71.6169.6000114.3Q506Q506-L508 PolarHBondContact O-N 3.34Å
509A44.8Very low44Very low80 Ų80132.8 Ų132.866%0.66171%0.709SS**SBendtrans-107.35.1-166.200000116
510V42.1Very low43.1Very low125 Ų125136 Ų13676%0.75872%0.715SS**SBendtrans-136130.2-176.9-175.60000111
511K41Very low42.3Very low196 Ų196135.9 Ų135.985%0.85272%0.724SS**  trans70.5136.7-164.6-54.6-179.3178.7178.80112.5
512Q37.2Very low41.9Very low194 Ų194137.6 Ų137.691%0.90773%0.731SS**  cis-124.61541.4-65.4176.2-68.300111.5
513N36.9Very low41.9Very low137 Ų137142.2 Ų142.273%0.73376%0.755SS**  trans-127.8161.3157.8-174.128.9000107.6
514E40.2Very low41.3Very low153 Ų153144.9 Ų144.972%0.71576%0.763SS**  trans81.8136.8163.5-39.8-158.714400119.3
515E36.5Very low40.9Very low178 Ų178150.4 Ų150.483%0.83278%0.783SS**  trans78.186.3158.5-52.5-62.6156.800121.8
516G38.2Very low40.2Very low70 Ų70152.9 Ų152.972%0.72279%0.792SS**  83.5102.6111.500000122.7
517K37.1Very low39.8Very low195 Ų195153.9 Ų153.985%0.84880%0.801SS**  trans72.8162.4159.4-63.3171.4178.7167.10117.4
518F33.4Very low39.5Very low196 Ų196151.4 Ų151.486%0.8680%0.802SS**  trans63126.7-168.5-61.3-92.6000113
519S32.6Very low39.3Very low103 Ų103147.9 Ų147.972%0.7280%0.802SS**  cis7986.739.2-168.70000114
520H32Very low39.2Very low182 Ų182152.2 Ų152.284%0.84381%0.814SS**  trans47.190.7141.7-171.224.5000117.5
521A35.4Very low39.6Very low96 Ų96152 Ų15279%0.79382%0.818SS**  trans-146.2157.8154.900000109.6
522M39Very low39.6Very low158 Ų158150.5 Ų150.578%0.77882%0.819SS**  trans-100.3153.9176.5-57.8174.5-64.900109.6
523M43.9Very low39.8Very low185 Ų185144.7 Ų144.791%0.91181%0.812SS**  trans-146.2128161.4-80.7-61.1162.200109.8
524D40.3Very low39.9Very low138 Ų138144.5 Ų144.574%0.73882%0.821SS**  trans-87.9163.8178.6-60.5-74.4000112.5
525F43.8Very low39.7Very low224 Ų224142 Ų14298%0.98283%0.827SS**  trans-102.2110157.4-88.8-88.1000108.5
526N40.8Very low39.7Very low142 Ų142136.9 Ų136.976%0.75982%0.821SS**  trans-136.7106.2-172.7-145.31.1000110.2
527L44.4Very low40.1Very low167 Ų167140.7 Ų140.787%0.87483%0.83SS**  trans-175.4129.3175.4-94.5131.7000107.7
528S42.1Very low40.2Very low112 Ų112136.7 Ų136.778%0.78383%0.827SS**  cis-158.1151-18-870000107.4
529G44.7Very low40.3Very low75 Ų75133.9 Ų133.977%0.77382%0.816SS**  trans168.7115.3173.400000112.4
530D41.4Very low40.5Very low170 Ų170134.5 Ų134.591%0.90982%0.82SS**  trans-76.2137.8-168.8-50.7-102.8000114.5
531S50.6Low41Very low120 Ų120134.9 Ų134.984%0.83982%0.815SS**  trans-168.3144.7136.5-173.70000110.1
532D42Very low41.4Very low166 Ų166137.6 Ų137.689%0.88881%0.814SS**  trans-67.7152.4174.1-81.3-62.7000113.5
533G40.1Very low41.1Very low72 Ų72139.5 Ų139.574%0.74281%0.814SS**  trans121.8122.414600000117.9
534S38.9Very low40.8Very low132 Ų132141.4 Ų141.492%0.92381%0.811SS**  trans73.3136.4163.7-1540000118
535A37.1Very low40.6Very low102 Ų102140.4 Ų140.484%0.84380%0.802SS**  trans-111.8128.7-178.900000111.1
536G36.2Very low40.4Very low69 Ų69134.9 Ų134.971%0.71179%0.791SS**  trans-178154.3175.400000113.5
537V46.5Very low40.5Very low150 Ų150139.8 Ų139.891%0.90980%0.799SS**  trans59.561.7170.2-159.80000115.4
538S40.2Very low39.9Very low111 Ų111135.1 Ų135.178%0.77679%0.791SS**  trans-64.5138159.3-560000111.1S540S538-S540 PolarHBondContact O-N 3.36Å
539E33.7Very low39.9Very low137 Ų137136.4 Ų136.464%0.6478%0.779SS**  trans-64.7100.1-165.3-164.9-175.2-173.500113.4R541E539-R541 VanDerWaalsContact CD-NE 3.32Å; E539-R541 HydrophobicContact CG-CG 4.15Å; E539-R541 PolarHBondContact O-N 2.92Å; E539-R541 IonicContact OE1-CZ 2.69Å; E539-R541 IonicContact OE1-NE 3.25Å; E539-R541 PolarHBondContact OE1-NE 3.46Å; E539-R541 IonicContact OE1-NH2 2.64Å; E539-R541 PolarHBondContact OE1-NH2 2.96Å; E539-R541 IonicContact OE2-CZ 3.74Å; E539-R541 IonicContact OE2-NE 3.55Å; E539-R541 IonicContact OE2-NH2 3.43Å; E539-R541 PolarHBondContact OE2-NH2 2.88Å
540S37.8Very low39.4Very low116 Ų116137 Ų13781%0.81179%0.785SS**  trans-76.951.9-178.3-70.80000114S538 I542S538-S540 PolarHBondContact O-N 3.36Å; S540-I542 PolarHBondContact O-N 2.92Å
541R43.2Very low39.4Very low191 Ų191133.1 Ų133.172%0.72177%0.771SS**  trans-63.3103162.2-73.2-172.6-165.2176.817.7108.1E539 Y543E539-R541 VanDerWaalsContact CD-NE 3.32Å; E539-R541 HydrophobicContact CG-CG 4.15Å; E539-R541 PolarHBondContact O-N 2.92Å; E539-R541 IonicContact OE1-CZ 2.69Å; E539-R541 IonicContact OE1-NE 3.25Å; E539-R541 PolarHBondContact OE1-NE 3.46Å; E539-R541 IonicContact OE1-NH2 2.64Å; E539-R541 PolarHBondContact OE1-NH2 2.96Å; E539-R541 IonicContact OE2-CZ 3.74Å; E539-R541 IonicContact OE2-NE 3.55Å; E539-R541 IonicContact OE2-NH2 3.43Å; E539-R541 PolarHBondContact OE2-NH2 2.88Å; R541-Y543 VanDerWaalsContact C-N 3.28Å; R541-Y543 PolarHBondContact O-N 3.29Å
542I42.2Very low39.2Very low152 Ų152135.5 Ų135.578%0.77977%0.774SS**  trans-64.289.8179.3-55.7177.3000109.5S540 R544S540-I542 PolarHBondContact O-N 2.92Å; I542-R544 VanDerWaalsContact C-N 3.29Å; I542-R544 PolarHBondContact O-N 3.2Å
543Y34.1Very low40.2Very low199 Ų199133.9 Ų133.978%0.7876%0.761SS**  trans-60.896.5161.3-155.2-93.5000106.2R541 E545R541-Y543 VanDerWaalsContact C-N 3.28Å; R541-Y543 PolarHBondContact O-N 3.29Å; Y543-E545 PolarHBondContact O-N 3.46Å
544R37.8Very low42Very low224 Ų224135.2 Ų135.285%0.84576%0.757SS**  trans-75.576178.3-172-168.3-69.3-140.5-2.9108.3I542I542-R544 VanDerWaalsContact C-N 3.29Å; I542-R544 PolarHBondContact O-N 3.2Å
545E34.7Very low44.2Very low118 Ų118136.8 Ų136.855%0.55175%0.749SS**  trans-51.8146.7170.3-169.648.6-97.600109.9Y543 R547Y543-E545 PolarHBondContact O-N 3.46Å; E545-R547 VanDerWaalsContact C-N 3.29Å; E545-R547 PolarHBondContact O-N 3.47Å
546S39.6Very low46.8Very low108 Ų108133.9 Ų133.976%0.75572%0.719SS**  trans-71.577.4-164.6-65.10000111.9G548S546-G548 PolarHBondContact O-N 3.33Å
547R42.4Very low49.5Very low245 Ų245138.6 Ų138.693%0.92572%0.72SS**  trans-54.992.5-176.9-81.1-172.3170.9157.50.1113.6E545E545-R547 VanDerWaalsContact C-N 3.29Å; E545-R547 PolarHBondContact O-N 3.47Å
548G32.8Very low51.9Low69 Ų69138.6 Ų138.671%0.71170%0.704SS**SBendtrans61.462.814100000116.6S546S546-G548 PolarHBondContact O-N 3.33Å
549R41.5Very low54.6Low138 Ų138135.4 Ų135.452%0.52168%0.681SS.*  trans-13785.9164.5-80.4-65.2-126.2-90.2-28.8111.2S551 L634R549-S551 VanDerWaalsContact C-N 3.33Å; R549-S551 PolarHBondContact O-N 2.92Å; R549-L634 PolarHBondContact NH1-O 3.48Å; R549-L634 PolarHBondContact NH2-O 3.42Å
550G34.4Very low57.6Low87 Ų87132.6 Ų132.690%0.89767%0.668SS**  trans-62.888174.500000112.4
551S41.3Very low60.5Low89 Ų89130.8 Ų130.862%0.62265%0.65SS**  trans-142.6108.1166.6176.90000104.9R549 E553R549-S551 VanDerWaalsContact C-N 3.33Å; R549-S551 PolarHBondContact O-N 2.92Å; S551-E553 PolarHBondContact O-N 2.98Å
552N47.6Very low63.1Low170 Ų170121.8 Ų121.891%0.90962%0.616SS**SBendtrans-73.825.9-167.7-61.3-24000114
553E62.6Low65.8Low132 Ų132117.1 Ų117.162%0.61759%0.59SS**SBendtrans-139.5109.2176.7-173.162.6-117.100107.6S551 H555S551-E553 PolarHBondContact O-N 2.98Å; E553-H555 PolarHBondContact O-N 3.42Å
554P78Confident68.9Low100 Ų100112.4 Ų112.465%0.64958%0.577SS**  trans-68.2131.9-174.626.7-34000111.2I556P554-I556 PolarHBondContact O-N 2.68Å
555H83.6Confident71.7Confident165 Ų165102.4 Ų102.476%0.76454%0.54SS*.  trans-61.5106.4-178.5173.848.6000112E553 K557E553-H555 PolarHBondContact O-N 3.42Å; H555-K557 PolarHBondContact O-N 2.96Å
556I91.7Very high74.8Confident41 Ų4197 Ų9721%0.2152%0.515CS..  trans-59.3107.2178-57.1165.4000109.8P554 H616 Y620 Y623P554-I556 PolarHBondContact O-N 2.68Å; I556-H616 WeakPolarHBondContact CG2-CE1 3.4Å; I556-Y620 HydrophobicContact CD1-CD1 3.48Å; I556-Y620 VanDerWaalsContact CD1-CD1 3.48Å; I556-Y620 HydrophobicContact CD1-CE1 3.9Å; I556-Y620 HydrophobicContact CD1-CG 3.94Å; I556-Y620 HydrophobicContact CG1-CD1 4Å; I556-Y620 HydrophobicContact CG1-CE1 3.95Å; I556-Y620 HydrophobicContact CG1-CG 4.41Å; I556-Y620 HydrophobicContact CG2-CD1 4.41Å; I556-Y620 HydrophobicContact CG2-CD2 3.79Å; I556-Y620 HydrophobicContact CG2-CE2 4.02Å; I556-Y620 HydrophobicContact CG2-CG 4Å; I556-Y623 HydrophobicContact CB-CD2 3.94Å; I556-Y623 HydrophobicContact CB-CE2 3.91Å; I556-Y623 HydrophobicContact CD1-CD2 4.47Å; I556-Y623 HydrophobicContact CG2-CD2 3.45Å; I556-Y623 VanDerWaalsContact CG2-CD2 3.45Å; I556-Y623 HydrophobicContact CG2-CE2 3.56Å; I556-Y623 HydrophobicContact CG2-CG 4.45Å; I556-Y623 WeakPolarHBondContact O-CE2 3.32Å
557K94.4Very high77.6Confident169 Ų16991.9 Ų91.974%0.73548%0.479SS*.PPolyproline II helixtrans-71.1151.9173.8-62.5176.6-175.8171.40109.7H555 H616H555-K557 PolarHBondContact O-N 2.96Å; K557-H616 PolarHBondContact O-CE1 3.24Å
558R96.5Very high80.2Confident149 Ų14985.8 Ų85.856%0.56246%0.459SS*.PPolyproline II helixtrans-61.5153.9173.4-59.2-176.8-137.3-156.63.4111.3Y623 Y625R558-Y623 WeakPolarHBondContact CG-OH 3.13Å; R558-Y625 VanDerWaalsContact CZ-CZ 3.48Å; R558-Y625 VanDerWaalsContact NH1-CZ 3.33Å; R558-Y625 PolarHBondContact NH1-OH 3.08Å; R558-Y625 PolarHBondContact NH2-OH 3.02Å
559P97.3Very high83.2Confident44 Ų4485.4 Ų85.429%0.28644%0.441SS..PPolyproline II helixtrans-59.6153.8161.328.1-33.7000110.3L612 H616P559-L612 HydrophobicContact CB-CB 4.5Å; P559-H616 HydrophobicContact CB-CB 4.06Å; P559-H616 HydrophobicContact CG-CB 4.22Å
560M96.9Very high85.8Confident78 Ų7879.5 Ų79.538%0.38442%0.419SS..PPolyproline II helixtrans-75.8142.4176.7-63.6-171.9-63.100110.2M564 V565 L612M560-M564 HydrophobicContact CB-CB 4.02Å; M560-M564 HydrophobicContact CG-CB 4.39Å; M560-V565 HydrophobicContact CB-CG2 3.9Å; M560-V565 HydrophobicContact CE-CG2 4.3Å; M560-L612 HydrophobicContact CB-CD1 4.35Å; M560-L612 HydrophobicContact CE-CD1 4.07Å
561N98.2Very high88.8Confident79 Ų7978 Ų7842%0.42239%0.387SS..PPolyproline II helixtrans-83.5165.9167.873.3-14.6000110.5F563 M564 V565 Q609N561-F563 VanDerWaalsContact C-N 3.28Å; N561-F563 PolarHBondContact O-N 3.39Å; N561-M564 CarbonylContact O-C 3.6Å; N561-M564 WeakPolarHBondContact O-CA 3.45Å; N561-M564 PolarHBondContact O-N 2.72Å; N561-M564 VanDerWaalsContact OD1-CB 3.25Å; N561-M564 WeakPolarHBondContact OD1-CB 3.3Å; N561-M564 WeakPolarHBondContact OD1-CG 3.13Å; N561-M564 PolarHBondContact OD1-N 2.69Å; N561-V565 PolarHBondContact O-N 3.11Å; N561-Q609 VanDerWaalsContact CB-OE1 3.27Å
562A97.9Very high91.5Very high2 Ų280 Ų802%0.01738%0.38CS..Hα-helixtrans-51.1-45.6-174.800000112.9M564 V565 W566 W594 Y605 Y606 Q609A562-M564 PolarHBondContact O-N 3.26Å; A562-V565 WeakPolarHBondContact O-CB 3.26Å; A562-V565 PolarHBondContact O-N 3.32Å; A562-W566 PolarHBondContact O-N 3.44Å; A562-W594 HydrophobicContact CB-CH2 3.86Å; A562-W594 HydrophobicContact CB-CZ2 4.14Å; A562-Y605 WeakPolarHBondContact CA-O 3.35Å; A562-Y605 VanDerWaalsContact CB-O 3.23Å; A562-Y605 WeakPolarHBondContact CB-O 3.28Å; A562-Y606 HydrophobicContact CB-CD1 3.68Å; A562-Y606 HydrophobicContact CB-CE1 3.9Å; A562-Y606 HydrophobicContact CB-CG 4.16Å; A562-Q609 HydrophobicContact CB-CB 4.26Å
563F98.5Very high93.8Very high54 Ų5477.5 Ų77.524%0.23736%0.361CS..Hα-helixtrans-57.8-45.2173.6174.6-97.9000112.8N561 W566 A567 L590 W594N561-F563 VanDerWaalsContact C-N 3.28Å; N561-F563 PolarHBondContact O-N 3.39Å; F563-W566 HydrophobicContact CD2-CE3 4.08Å; F563-W566 HydrophobicContact CD2-CZ3 4.13Å; F563-W566 HydrophobicContact CE2-CE3 4.16Å; F563-W566 AromaticContact CE2-CZ3 3.8Å; F563-W566 HydrophobicContact CE2-CZ3 3.8Å; F563-A567 HydrophobicContact CD1-CB 4.47Å; F563-A567 HydrophobicContact CE1-CB 4.18Å; F563-A567 HydrophobicContact CE2-CB 4.49Å; F563-A567 HydrophobicContact CZ-CB 4.2Å; F563-A567 WeakPolarHBondContact O-CA 3.31Å; F563-A567 WeakPolarHBondContact O-CB 2.82Å; F563-A567 PolarHBondContact O-N 3.46Å; F563-L590 HydrophobicContact CE2-CB 4.45Å; F563-L590 HydrophobicContact CZ-CB 4.29Å; F563-W594 HydrophobicContact CB-CD2 4.43Å; F563-W594 HydrophobicContact CD2-CB 3.78Å; F563-W594 AromaticContact CD2-CD1 3.97Å; F563-W594 AromaticContact CD2-CD2 3.93Å; F563-W594 HydrophobicContact CD2-CD2 3.93Å; F563-W594 HydrophobicContact CD2-CE3 4.48Å; F563-W594 AromaticContact CD2-CG 3.59Å; F563-W594 HydrophobicContact CD2-CG 3.59Å; F563-W594 HydrophobicContact CE2-CB 3.91Å; F563-W594 HydrophobicContact CE2-CG 4.23Å
564M98.3Very high95.4Very high99 Ų9972.2 Ų72.249%0.48834%0.337SS..Hα-helixtrans-71.8-26.6179.2-74.8-69.2-155.800113.5M560 N561 A562 K568M560-M564 HydrophobicContact CB-CB 4.02Å; M560-M564 HydrophobicContact CG-CB 4.39Å; N561-M564 CarbonylContact O-C 3.6Å; N561-M564 WeakPolarHBondContact O-CA 3.45Å; N561-M564 PolarHBondContact O-N 2.72Å; N561-M564 VanDerWaalsContact OD1-CB 3.25Å; N561-M564 WeakPolarHBondContact OD1-CB 3.3Å; N561-M564 WeakPolarHBondContact OD1-CG 3.13Å; N561-M564 PolarHBondContact OD1-N 2.69Å; A562-M564 PolarHBondContact O-N 3.26Å; M564-K568 PolarHBondContact O-N 2.98Å
565V98.2Very high96.2Very high14 Ų1470.9 Ų70.99%0.08532%0.324CS..Hα-helixtrans-64.5-60.7169.4177.20000108.8M560 N561 A562 A567 K568 Y605 E608 L612M560-V565 HydrophobicContact CB-CG2 3.9Å; M560-V565 HydrophobicContact CE-CG2 4.3Å; N561-V565 PolarHBondContact O-N 3.11Å; A562-V565 WeakPolarHBondContact O-CB 3.26Å; A562-V565 PolarHBondContact O-N 3.32Å; V565-A567 PolarHBondContact O-N 3.13Å; V565-K568 WeakPolarHBondContact O-CB 3.42Å; V565-K568 PolarHBondContact O-N 3.11Å; V565-K568 VanDerWaalsContact O-N 3.11Å; V565-Y605 HydrophobicContact CG1-CD1 4Å; V565-E608 HydrophobicContact CG1-CB 4.3Å; V565-E608 HydrophobicContact CG1-CG 3.63Å; V565-E608 HydrophobicContact CG2-CG 4.2Å; V565-L612 HydrophobicContact CG2-CD1 3.7Å
566W98.5Very high96.8Very high5 Ų570.9 Ų70.92%0.01933%0.325CS..Hα-helixtrans-56.3-47.6179.3170.684.5000112.9A562 F563 K568 D569 E570 L590 R593 W594 M597 Y605A562-W566 PolarHBondContact O-N 3.44Å; F563-W566 HydrophobicContact CD2-CE3 4.08Å; F563-W566 HydrophobicContact CD2-CZ3 4.13Å; F563-W566 HydrophobicContact CE2-CE3 4.16Å; F563-W566 AromaticContact CE2-CZ3 3.8Å; F563-W566 HydrophobicContact CE2-CZ3 3.8Å; W566-K568 PolarHBondContact O-N 3.11Å; W566-K568 VanDerWaalsContact O-N 3.13Å; W566-D569 PolarHBondContact O-N 3.25Å; W566-E570 HydrophobicContact CD2-CG 4.18Å; W566-E570 HydrophobicContact CG-CG 4.45Å; W566-E570 HydrophobicContact CZ2-CB 4.33Å; W566-E570 HydrophobicContact CZ2-CG 3.91Å; W566-E570 PolarHBondContact O-N 3.07Å; W566-E570 VanDerWaalsContact O-N 3.16Å; W566-L590 HydrophobicContact CH2-CB 4.2Å; W566-L590 HydrophobicContact CH2-CD2 3.71Å; W566-L590 VanDerWaalsContact CH2-O 3.25Å; W566-L590 WeakPolarHBondContact CH2-O 3.46Å; W566-L590 HydrophobicContact CZ2-CD2 4.48Å; W566-L590 HydrophobicContact CZ3-CB 3.89Å; W566-L590 HydrophobicContact CZ3-CD2 3.74Å; W566-L590 HydrophobicContact CZ3-CG 4.42Å; W566-L590 VanDerWaalsContact CZ3-O 3.27Å; W566-L590 WeakPolarHBondContact CZ3-O 3.4Å; W566-R593 HydrophobicContact CH2-CB 4.06Å; W566-R593 HydrophobicContact CH2-CG 4.32Å; W566-R593 HydrophobicContact CZ2-CB 4.27Å; W566-R593 HydrophobicContact CZ2-CG 4.01Å; W566-W594 HydrophobicContact CB-CE3 4.1Å; W566-W594 HydrophobicContact CB-CZ3 3.76Å; W566-W594 AromaticContact CD2-CE3 3.64Å; W566-W594 HydrophobicContact CD2-CE3 3.64Å; W566-W594 HydrophobicContact CD2-CZ3 4.18Å; W566-W594 HydrophobicContact CE3-CB 4.2Å; W566-W594 HydrophobicContact CE3-CD2 4.41Å; W566-W594 AromaticContact CE3-CE3 3.72Å; W566-W594 HydrophobicContact CE3-CE3 3.72Å; W566-W594 AromaticContact CG-CE3 3.83Å; W566-W594 HydrophobicContact CG-CE3 3.83Å; W566-W594 AromaticContact CG-CZ3 3.85Å; W566-W594 HydrophobicContact CG-CZ3 3.85Å; W566-W594 HydrophobicContact CH2-CB 3.96Å; W566-W594 HydrophobicContact CZ3-CB 3.71Å; W566-W594 HydrophobicContact CZ3-CE3 4.38Å; W566-M597 HydrophobicContact CD2-SD 4.5Å; W566-M597 HydrophobicContact CZ2-SD 3.73Å; W566-M597 PolarHBondContact NE1-SD 2.81Å; W566-M597 VanDerWaalsContact NE1-SD 3.44Å; W566-Y605 HydrophobicContact CB-CD1 3.72Å; W566-Y605 HydrophobicContact CB-CD2 4.26Å; W566-Y605 HydrophobicContact CB-CE1 3.92Å; W566-Y605 HydrophobicContact CB-CE2 4.44Å; W566-Y605 HydrophobicContact CB-CG 3.9Å; W566-Y605 AromaticContact CD1-CE2 3.66Å; W566-Y605 AromaticContact CD1-CZ 3.58Å; W566-Y605 HydrophobicContact CG-CE1 4.42Å; W566-Y605 HydrophobicContact CG-CE2 4.39Å
567A98.3Very high97.1Very high0 Ų072 Ų720%034%0.34CS..Hα-helixtrans-70.3-4.9-179.700000114.3F563 V565 R571 L590F563-A567 HydrophobicContact CD1-CB 4.47Å; F563-A567 HydrophobicContact CE1-CB 4.18Å; F563-A567 HydrophobicContact CE2-CB 4.49Å; F563-A567 HydrophobicContact CZ-CB 4.2Å; F563-A567 WeakPolarHBondContact O-CA 3.31Å; F563-A567 WeakPolarHBondContact O-CB 2.82Å; F563-A567 PolarHBondContact O-N 3.46Å; V565-A567 PolarHBondContact O-N 3.13Å; A567-R571 WeakPolarHBondContact O-CB 3.32Å; A567-R571 PolarHBondContact O-N 3.38Å; A567-R571 PolarHBondContact O-NH1 3.49Å; A567-R571 VanDerWaalsContact O-NH1 3.12Å; A567-L590 HydrophobicContact CB-CD1 4.14Å
568K96.8Very high97Very high118 Ų11869.9 Ų69.951%0.51333%0.331SS..Hα-helixtrans-72.6-39.6172.2-176.3-160.5166.8-151.20111.2M564 V565 W566 R572M564-K568 PolarHBondContact O-N 2.98Å; V565-K568 WeakPolarHBondContact O-CB 3.42Å; V565-K568 PolarHBondContact O-N 3.11Å; V565-K568 VanDerWaalsContact O-N 3.11Å; W566-K568 PolarHBondContact O-N 3.11Å; W566-K568 VanDerWaalsContact O-N 3.13Å; K568-R572 PolarHBondContact O-NH2 2.73Å
569D95.7Very high96.9Very high60 Ų6067.1 Ų67.132%0.32133%0.332SS..Hα-helixtrans-98.1-39.9-173.7-61.5-58.8000111.2W566 R571 R572 K573W566-D569 PolarHBondContact O-N 3.25Å; D569-R571 VanDerWaalsContact C-N 3.33Å; D569-R571 PolarHBondContact O-N 3.09Å; D569-R572 WeakPolarHBondContact O-CA 3.15Å; D569-R572 WeakPolarHBondContact O-CB 3.33Å; D569-R572 PolarHBondContact O-N 3.32Å; D569-R572 IonicContact OD1-CZ 2.72Å; D569-R572 IonicContact OD1-NH1 2.97Å; D569-R572 PolarHBondContact OD1-NH1 3.29Å; D569-R572 IonicContact OD1-NH2 2.74Å; D569-R572 PolarHBondContact OD1-NH2 3.43Å; D569-K573 PolarHBondContact O-N 3.48Å; D569-K573 VanDerWaalsContact O-N 3.08Å
570E97.2Very high96.7Very high14 Ų1472.3 Ų72.37%0.06536%0.358CS..Hα-helixtrans-65.3-33.1172.4-66.4-54.9129.100112.8W566 R572 K573 I574 L590 R593W566-E570 HydrophobicContact CD2-CG 4.18Å; W566-E570 HydrophobicContact CG-CG 4.45Å; W566-E570 HydrophobicContact CZ2-CB 4.33Å; W566-E570 HydrophobicContact CZ2-CG 3.91Å; W566-E570 PolarHBondContact O-N 3.07Å; W566-E570 VanDerWaalsContact O-N 3.16Å; E570-R572 VanDerWaalsContact C-N 3.28Å; E570-R572 PolarHBondContact O-N 2.88Å; E570-K573 PolarHBondContact O-N 3.31Å; E570-K573 WeakPolarHBondContact OE1-CE 3.23Å; E570-K573 IonicContact OE1-NZ 3.74Å; E570-K573 PolarHBondContact OE1-NZ 3.25Å; E570-K573 IonicContact OE2-NZ 2.7Å; E570-I574 WeakPolarHBondContact O-CG1 3.35Å; E570-I574 PolarHBondContact O-N 3.41Å; E570-I574 VanDerWaalsContact O-N 3.11Å; E570-L590 HydrophobicContact CB-CD2 3.53Å; E570-R593 IonicContact OE2-CZ 2.7Å; E570-R593 VanDerWaalsContact OE2-CZ 3.23Å; E570-R593 IonicContact OE2-NH1 3.64Å; E570-R593 PolarHBondContact OE2-NH1 2.82Å; E570-R593 IonicContact OE2-NH2 3.39Å; E570-R593 PolarHBondContact OE2-NH2 3.04Å
571R97.8Very high96.6Very high57 Ų5771.8 Ų71.822%0.21536%0.355CS..Hα-helixtrans-59.5-40.7169.1177.9178.4-83.1103.8-7.7111.1A567 D569 I574 L575 N583 I586 S587 L590A567-R571 WeakPolarHBondContact O-CB 3.32Å; A567-R571 PolarHBondContact O-N 3.38Å; A567-R571 PolarHBondContact O-NH1 3.49Å; A567-R571 VanDerWaalsContact O-NH1 3.12Å; D569-R571 VanDerWaalsContact C-N 3.33Å; D569-R571 PolarHBondContact O-N 3.09Å; R571-I574 PolarHBondContact O-N 3.33Å; R571-L575 HydrophobicContact CG-CD1 3.55Å; R571-L575 WeakPolarHBondContact O-CD1 3.39Å; R571-L575 PolarHBondContact O-N 3.39Å; R571-N583 PolarHBondContact NE-ND2 3Å; R571-N583 PolarHBondContact NE-OD1 3.14Å; R571-N583 VanDerWaalsContact NE-OD1 3.08Å; R571-N583 PolarHBondContact NH2-OD1 2.93Å; R571-I586 HydrophobicContact CG-CG2 4.16Å; R571-S587 PolarHBondContact NH2-OG 3.35Å; R571-L590 HydrophobicContact CB-CD1 3.88Å
572R97Very high96.5Very high129 Ų12973.5 Ų73.549%0.48736%0.361SS..Hα-helixtrans-65.9-42.5-178.7-164.1-178-49.7110.228.2111.4K568 D569 E570 I574 L575 Q576K568-R572 PolarHBondContact O-NH2 2.73Å; D569-R572 WeakPolarHBondContact O-CA 3.15Å; D569-R572 WeakPolarHBondContact O-CB 3.33Å; D569-R572 PolarHBondContact O-N 3.32Å; D569-R572 IonicContact OD1-CZ 2.72Å; D569-R572 IonicContact OD1-NH1 2.97Å; D569-R572 PolarHBondContact OD1-NH1 3.29Å; D569-R572 IonicContact OD1-NH2 2.74Å; D569-R572 PolarHBondContact OD1-NH2 3.43Å; E570-R572 VanDerWaalsContact C-N 3.28Å; E570-R572 PolarHBondContact O-N 2.88Å; R572-I574 VanDerWaalsContact C-N 3.32Å; R572-I574 PolarHBondContact O-N 2.88Å; R572-L575 PolarHBondContact O-N 3.45Å; R572-Q576 WeakPolarHBondContact O-CB 3.36Å; R572-Q576 PolarHBondContact O-N 2.94Å
573K97.1Very high96.3Very high118 Ų11876.9 Ų76.951%0.51338%0.378SS..Hα-helixtrans-58-42.9173.3-65.1176.4-175173.80111.9D569 E570 Q576 A577D569-K573 PolarHBondContact O-N 3.48Å; D569-K573 VanDerWaalsContact O-N 3.08Å; E570-K573 PolarHBondContact O-N 3.31Å; E570-K573 WeakPolarHBondContact OE1-CE 3.23Å; E570-K573 IonicContact OE1-NZ 3.74Å; E570-K573 PolarHBondContact OE1-NZ 3.25Å; E570-K573 IonicContact OE2-NZ 2.7Å; K573-Q576 PolarHBondContact O-N 2.86Å; K573-A577 PolarHBondContact O-N 2.96Å; K573-A577 VanDerWaalsContact O-N 3.12Å
574I96.3Very high96.2Very high21 Ų2177.5 Ų77.511%0.10839%0.389CS..Hα-helixtrans-67.9-41.4178.2-62.7166.6000111.8E570 R571 R572 Q576 A577 F578 I586 I589 L590E570-I574 WeakPolarHBondContact O-CG1 3.35Å; E570-I574 PolarHBondContact O-N 3.41Å; E570-I574 VanDerWaalsContact O-N 3.11Å; R571-I574 PolarHBondContact O-N 3.33Å; R572-I574 VanDerWaalsContact C-N 3.32Å; R572-I574 PolarHBondContact O-N 2.88Å; I574-Q576 VanDerWaalsContact C-N 3.27Å; I574-Q576 PolarHBondContact O-N 3.38Å; I574-A577 PolarHBondContact O-N 3.25Å; I574-F578 PolarHBondContact O-N 3.03Å; I574-I586 HydrophobicContact CB-CG2 4.04Å; I574-I586 HydrophobicContact CD1-CG2 3.88Å; I574-I586 HydrophobicContact CG2-CB 4.42Å; I574-I586 HydrophobicContact CG2-CD1 4.26Å; I574-I586 HydrophobicContact CG2-CG1 3.9Å; I574-I586 HydrophobicContact CG2-CG2 3.89Å; I574-I589 HydrophobicContact CD1-CG2 3.98Å; I574-L590 HydrophobicContact CD1-CD2 3.9Å; I574-L590 HydrophobicContact CD1-CG 4.09Å
575L95.1Very high96.1Very high73 Ų7375.7 Ų75.738%0.38238%0.381SS..Hα-helixtrans-65.8-28.5172.4-86.292.9000112.9R571 R572 F578 P579 I586R571-L575 HydrophobicContact CG-CD1 3.55Å; R571-L575 WeakPolarHBondContact O-CD1 3.39Å; R571-L575 PolarHBondContact O-N 3.39Å; R572-L575 PolarHBondContact O-N 3.45Å; L575-F578 CarbonylContact O-C 3.58Å; L575-P579 WeakPolarHBondContact O-CA 3.31Å; L575-I586 HydrophobicContact CD1-CD1 3.43Å; L575-I586 VanDerWaalsContact CD1-CD1 3.43Å; L575-I586 HydrophobicContact CG-CD1 3.98Å
576Q95.9Very high96.1Very high164 Ų16475 Ų7577%0.76638%0.377SS*.Hα-helixtrans-73.4-33.5178.6-173.1175.41.100112.2R572 K573 I574R572-Q576 WeakPolarHBondContact O-CB 3.36Å; R572-Q576 PolarHBondContact O-N 2.94Å; K573-Q576 PolarHBondContact O-N 2.86Å; I574-Q576 VanDerWaalsContact C-N 3.27Å; I574-Q576 PolarHBondContact O-N 3.38Å
577A96.4Very high96.1Very high65 Ų6576.9 Ų76.954%0.53739%0.391SS..Hα-helixtrans-83.1-32.5174.100000113.1K573 I574K573-A577 PolarHBondContact O-N 2.96Å; K573-A577 VanDerWaalsContact O-N 3.12Å; I574-A577 PolarHBondContact O-N 3.25Å
578F93.7Very high96Very high125 Ų12583.5 Ų83.555%0.54842%0.42SS..  trans-138.881.4-176.1-52.3-75.6000110I574 L575 D580 M581I574-F578 PolarHBondContact O-N 3.03Å; L575-F578 CarbonylContact O-C 3.58Å; F578-D580 VanDerWaalsContact C-N 3.32Å; F578-D580 PolarHBondContact O-N 2.94Å; F578-M581 HydrophobicContact CB-CB 3.76Å; F578-M581 HydrophobicContact CB-CE 4.46Å; F578-M581 VanDerWaalsContact O-CB 3.24Å; F578-M581 WeakPolarHBondContact O-CB 3.27Å; F578-M581 PolarHBondContact O-N 2.6Å; F578-M581 VanDerWaalsContact O-N 3.16Å
579P94Very high96.1Very high90 Ų9081.7 Ų81.758%0.58442%0.415SS*.THydrogen-bonded Turntrans-60.9-38.5-172.721.6-32000113.3L575 M581L575-P579 WeakPolarHBondContact O-CA 3.31Å; P579-M581 VanDerWaalsContact C-N 3.25Å; P579-M581 PolarHBondContact O-N 2.78Å
580D93.9Very high96.2Very high153 Ų15378.9 Ų78.982%0.81840%0.4SS*.THydrogen-bonded Turntrans-80.5-3.2-178.3-51-66.9000113.6F578 H582F578-D580 VanDerWaalsContact C-N 3.32Å; F578-D580 PolarHBondContact O-N 2.94Å; D580-H582 PolarHBondContact O-N 2.77Å
581M93.8Very high96.2Very high68 Ų6879.4 Ų79.434%0.33541%0.409SS..  trans-65.3110.9-177-174.559.963.800111.2F578 P579 N583 N585 I586F578-M581 HydrophobicContact CB-CB 3.76Å; F578-M581 HydrophobicContact CB-CE 4.46Å; F578-M581 VanDerWaalsContact O-CB 3.24Å; F578-M581 WeakPolarHBondContact O-CB 3.27Å; F578-M581 PolarHBondContact O-N 2.6Å; F578-M581 VanDerWaalsContact O-N 3.16Å; P579-M581 VanDerWaalsContact C-N 3.25Å; P579-M581 PolarHBondContact O-N 2.78Å; M581-N583 PolarHBondContact O-N 2.76Å; M581-N585 HydrophobicContact SD-CB 3.85Å; M581-I586 HydrophobicContact CB-CD1 4.19Å; M581-I586 HydrophobicContact CB-CG1 4.08Å; M581-I586 HydrophobicContact CG-CD1 4.2Å; M581-I586 HydrophobicContact CG-CG1 3.53Å; M581-I586 WeakPolarHBondContact O-CD1 3.18Å
582H95.5Very high96.2Very high115 Ų11580.5 Ų80.553%0.53243%0.426SS..  trans-57.5134.1-175.9179.572000112.9D580 S584 N585 I586D580-H582 PolarHBondContact O-N 2.77Å; H582-S584 VanDerWaalsContact CD2-CB 3.47Å; H582-S584 WeakPolarHBondContact CD2-CB 3.45Å; H582-S584 PolarHBondContact CD2-N 3Å; H582-S584 PolarHBondContact CD2-OG 3.05Å; H582-S584 WeakPolarHBondContact NE2-CB 3.44Å; H582-S584 PolarHBondContact NE2-OG 3.34Å; H582-S584 PolarHBondContact O-N 3.19Å; H582-N585 WeakPolarHBondContact O-CA 3.5Å; H582-N585 WeakPolarHBondContact O-CB 3.45Å; H582-N585 PolarHBondContact O-N 3.32Å; H582-I586 PolarHBondContact O-N 2.85Å
583N94.2Very high96.3Very high72 Ų7280 Ų8039%0.38542%0.424SS..Hα-helixtrans-59.5-26.9-168.7-149.8-80.7000114.6R571 M581 S587R571-N583 PolarHBondContact NE-ND2 3Å; R571-N583 PolarHBondContact NE-OD1 3.14Å; R571-N583 VanDerWaalsContact NE-OD1 3.08Å; R571-N583 PolarHBondContact NH2-OD1 2.93Å; M581-N583 PolarHBondContact O-N 2.76Å; N583-S587 VanDerWaalsContact O-CB 3.31Å; N583-S587 WeakPolarHBondContact O-CB 3.25Å; N583-S587 PolarHBondContact O-N 2.91Å; N583-S587 PolarHBondContact O-OG 3.42Å
584S96.4Very high96.3Very high67 Ų6775.9 Ų75.947%0.46941%0.405SS..Hα-helixtrans-67.1-35.5173.3-490000112.1H582 S587 K588H582-S584 VanDerWaalsContact CD2-CB 3.47Å; H582-S584 WeakPolarHBondContact CD2-CB 3.45Å; H582-S584 PolarHBondContact CD2-N 3Å; H582-S584 PolarHBondContact CD2-OG 3.05Å; H582-S584 WeakPolarHBondContact NE2-CB 3.44Å; H582-S584 PolarHBondContact NE2-OG 3.34Å; H582-S584 PolarHBondContact O-N 3.19Å; S584-S587 PolarHBondContact O-N 2.79Å; S584-K588 WeakPolarHBondContact O-CG 3.44Å; S584-K588 PolarHBondContact O-N 2.74Å; S584-K588 VanDerWaalsContact O-N 3.15Å
585N97Very high96.4Very high61 Ų6183 Ų8333%0.32644%0.435SS..Hα-helixtrans-71.7-44.2174.4-69.9-16.5000111.1M581 H582 S587 K588 I589M581-N585 HydrophobicContact SD-CB 3.85Å; H582-N585 WeakPolarHBondContact O-CA 3.5Å; H582-N585 WeakPolarHBondContact O-CB 3.45Å; H582-N585 PolarHBondContact O-N 3.32Å; N585-S587 PolarHBondContact O-N 3.48Å; N585-K588 WeakPolarHBondContact O-CB 3Å; N585-K588 PolarHBondContact O-N 3.08Å; N585-K588 PolarHBondContact OD1-NZ 3.4Å; N585-I589 WeakPolarHBondContact O-CG1 3.5Å; N585-I589 PolarHBondContact O-N 3.42Å; N585-I589 VanDerWaalsContact O-N 3.08Å
586I97.8Very high96.6Very high0 Ų083.8 Ų83.80%045%0.452CS..Hα-helixtrans-55.1-41.5171.9-53.9174.8000110.7R571 I574 L575 M581 H582 K588 I589 L590R571-I586 HydrophobicContact CG-CG2 4.16Å; I574-I586 HydrophobicContact CB-CG2 4.04Å; I574-I586 HydrophobicContact CD1-CG2 3.88Å; I574-I586 HydrophobicContact CG2-CB 4.42Å; I574-I586 HydrophobicContact CG2-CD1 4.26Å; I574-I586 HydrophobicContact CG2-CG1 3.9Å; I574-I586 HydrophobicContact CG2-CG2 3.89Å; L575-I586 HydrophobicContact CD1-CD1 3.43Å; L575-I586 VanDerWaalsContact CD1-CD1 3.43Å; L575-I586 HydrophobicContact CG-CD1 3.98Å; M581-I586 HydrophobicContact CB-CD1 4.19Å; M581-I586 HydrophobicContact CB-CG1 4.08Å; M581-I586 HydrophobicContact CG-CD1 4.2Å; M581-I586 HydrophobicContact CG-CG1 3.53Å; M581-I586 WeakPolarHBondContact O-CD1 3.18Å; H582-I586 PolarHBondContact O-N 2.85Å; I586-K588 VanDerWaalsContact C-N 3.32Å; I586-K588 PolarHBondContact O-N 3.01Å; I586-I589 PolarHBondContact O-N 2.74Å; I586-L590 HydrophobicContact CG2-CD1 3.73Å; I586-L590 HydrophobicContact CG2-CG 4.15Å; I586-L590 WeakPolarHBondContact O-CB 3.41Å; I586-L590 VanDerWaalsContact O-CG 3.27Å; I586-L590 WeakPolarHBondContact O-CG 3.27Å; I586-L590 PolarHBondContact O-N 3.05Å
587S97.5Very high96.6Very high45 Ų4576.9 Ų76.932%0.31542%0.42SS..Hα-helixtrans-69.2-26.1179.4-57.30000113.4R571 N583 S584 N585 G591R571-S587 PolarHBondContact NH2-OG 3.35Å; N583-S587 VanDerWaalsContact O-CB 3.31Å; N583-S587 WeakPolarHBondContact O-CB 3.25Å; N583-S587 PolarHBondContact O-N 2.91Å; N583-S587 PolarHBondContact O-OG 3.42Å; S584-S587 PolarHBondContact O-N 2.79Å; N585-S587 PolarHBondContact O-N 3.48Å; S587-G591 PolarHBondContact O-N 3.08Å; S587-G591 VanDerWaalsContact O-N 3.13Å
588K98Very high96.6Very high138 Ų13877.4 Ų77.460%0.642%0.417SS*.Hα-helixtrans-66.9-52167.2-63.9167.1-172.3164.40110.5S584 N585 I586 L590 G591 S592S584-K588 WeakPolarHBondContact O-CG 3.44Å; S584-K588 PolarHBondContact O-N 2.74Å; S584-K588 VanDerWaalsContact O-N 3.15Å; N585-K588 WeakPolarHBondContact O-CB 3Å; N585-K588 PolarHBondContact O-N 3.08Å; N585-K588 PolarHBondContact OD1-NZ 3.4Å; I586-K588 VanDerWaalsContact C-N 3.32Å; I586-K588 PolarHBondContact O-N 3.01Å; K588-L590 PolarHBondContact O-N 3.12Å; K588-G591 WeakPolarHBondContact O-CA 3.25Å; K588-G591 PolarHBondContact O-N 3.3Å; K588-S592 PolarHBondContact O-N 3.42Å; K588-S592 PolarHBondContact O-OG 3Å
589I97.3Very high96.7Very high81 Ų8175.4 Ų75.442%0.41541%0.411SS..Hα-helixtrans-56.8-48.3-178.7-63.2166.2000110.7I574 N585 I586 G591 S592 R593I574-I589 HydrophobicContact CD1-CG2 3.98Å; N585-I589 WeakPolarHBondContact O-CG1 3.5Å; N585-I589 PolarHBondContact O-N 3.42Å; N585-I589 VanDerWaalsContact O-N 3.08Å; I586-I589 PolarHBondContact O-N 2.74Å; I589-G591 VanDerWaalsContact C-N 3.33Å; I589-G591 PolarHBondContact O-N 3.11Å; I589-S592 PolarHBondContact O-N 3.16Å; I589-R593 PolarHBondContact O-N 3.07Å
590L98.2Very high96.8Very high1 Ų177.2 Ų77.21%0.00542%0.416CS..Hα-helixtrans-61.1-40.4175.6-69.6169.9000112.1F563 W566 A567 E570 R571 I574 I586 K588 S592 W594F563-L590 HydrophobicContact CE2-CB 4.45Å; F563-L590 HydrophobicContact CZ-CB 4.29Å; W566-L590 HydrophobicContact CH2-CB 4.2Å; W566-L590 HydrophobicContact CH2-CD2 3.71Å; W566-L590 VanDerWaalsContact CH2-O 3.25Å; W566-L590 WeakPolarHBondContact CH2-O 3.46Å; W566-L590 HydrophobicContact CZ2-CD2 4.48Å; W566-L590 HydrophobicContact CZ3-CB 3.89Å; W566-L590 HydrophobicContact CZ3-CD2 3.74Å; W566-L590 HydrophobicContact CZ3-CG 4.42Å; W566-L590 VanDerWaalsContact CZ3-O 3.27Å; W566-L590 WeakPolarHBondContact CZ3-O 3.4Å; A567-L590 HydrophobicContact CB-CD1 4.14Å; E570-L590 HydrophobicContact CB-CD2 3.53Å; R571-L590 HydrophobicContact CB-CD1 3.88Å; I574-L590 HydrophobicContact CD1-CD2 3.9Å; I574-L590 HydrophobicContact CD1-CG 4.09Å; I586-L590 HydrophobicContact CG2-CD1 3.73Å; I586-L590 HydrophobicContact CG2-CG 4.15Å; I586-L590 WeakPolarHBondContact O-CB 3.41Å; I586-L590 VanDerWaalsContact O-CG 3.27Å; I586-L590 WeakPolarHBondContact O-CG 3.27Å; I586-L590 PolarHBondContact O-N 3.05Å; K588-L590 PolarHBondContact O-N 3.12Å; L590-S592 PolarHBondContact O-N 3.43Å; L590-W594 WeakPolarHBondContact O-CB 3.36Å; L590-W594 PolarHBondContact O-N 2.81Å
591G98.1Very high96.9Very high24 Ų2474.5 Ų74.525%0.24740%0.398CS..Hα-helixtrans-62-39.5175.700000113.3S587 K588 I589 K595S587-G591 PolarHBondContact O-N 3.08Å; S587-G591 VanDerWaalsContact O-N 3.13Å; K588-G591 WeakPolarHBondContact O-CA 3.25Å; K588-G591 PolarHBondContact O-N 3.3Å; I589-G591 VanDerWaalsContact C-N 3.33Å; I589-G591 PolarHBondContact O-N 3.11Å; G591-K595 WeakPolarHBondContact O-CG 3.36Å; G591-K595 PolarHBondContact O-N 3.03Å
592S98Very high97.1Very high81 Ų8172.3 Ų72.357%0.56639%0.387SS*.Hα-helixtrans-70.6-48.1175.5-62.30000112K588 I589 L590 W594 K595 A596K588-S592 PolarHBondContact O-N 3.42Å; K588-S592 PolarHBondContact O-OG 3Å; I589-S592 PolarHBondContact O-N 3.16Å; L590-S592 PolarHBondContact O-N 3.43Å; S592-W594 PolarHBondContact O-N 3.07Å; S592-K595 WeakPolarHBondContact O-CB 3.37Å; S592-K595 PolarHBondContact O-N 2.67Å; S592-K595 VanDerWaalsContact O-N 3.09Å; S592-A596 PolarHBondContact O-N 2.95Å; S592-A596 VanDerWaalsContact O-N 3.07Å
593R97.9Very high97.2Very high117 Ų11769.2 Ų69.244%0.44237%0.373SS..Hα-helixtrans-66.3-37.5-177.9-174.1170.4166-146.2-12.2112.7W566 E570 I589 K595 A596 M597W566-R593 HydrophobicContact CH2-CB 4.06Å; W566-R593 HydrophobicContact CH2-CG 4.32Å; W566-R593 HydrophobicContact CZ2-CB 4.27Å; W566-R593 HydrophobicContact CZ2-CG 4.01Å; E570-R593 IonicContact OE2-CZ 2.7Å; E570-R593 VanDerWaalsContact OE2-CZ 3.23Å; E570-R593 IonicContact OE2-NH1 3.64Å; E570-R593 PolarHBondContact OE2-NH1 2.82Å; E570-R593 IonicContact OE2-NH2 3.39Å; E570-R593 PolarHBondContact OE2-NH2 3.04Å; I589-R593 PolarHBondContact O-N 3.07Å; R593-K595 VanDerWaalsContact C-N 3.3Å; R593-K595 PolarHBondContact O-N 3.39Å; R593-A596 PolarHBondContact O-N 3.26Å; R593-M597 WeakPolarHBondContact O-CG 3.41Å; R593-M597 PolarHBondContact O-N 3.44Å; R593-M597 VanDerWaalsContact O-N 3.11Å
594W98.2Very high97.3Very high33 Ų3369 Ų6913%0.12538%0.375CS..Hα-helixtrans-63.3-33.7171.4179.3-95.5000112.9A562 F563 W566 L590 S592 M597 K602 Y605A562-W594 HydrophobicContact CB-CH2 3.86Å; A562-W594 HydrophobicContact CB-CZ2 4.14Å; F563-W594 HydrophobicContact CB-CD2 4.43Å; F563-W594 HydrophobicContact CD2-CB 3.78Å; F563-W594 AromaticContact CD2-CD1 3.97Å; F563-W594 AromaticContact CD2-CD2 3.93Å; F563-W594 HydrophobicContact CD2-CD2 3.93Å; F563-W594 HydrophobicContact CD2-CE3 4.48Å; F563-W594 AromaticContact CD2-CG 3.59Å; F563-W594 HydrophobicContact CD2-CG 3.59Å; F563-W594 HydrophobicContact CE2-CB 3.91Å; F563-W594 HydrophobicContact CE2-CG 4.23Å; W566-W594 HydrophobicContact CB-CE3 4.1Å; W566-W594 HydrophobicContact CB-CZ3 3.76Å; W566-W594 AromaticContact CD2-CE3 3.64Å; W566-W594 HydrophobicContact CD2-CE3 3.64Å; W566-W594 HydrophobicContact CD2-CZ3 4.18Å; W566-W594 HydrophobicContact CE3-CB 4.2Å; W566-W594 HydrophobicContact CE3-CD2 4.41Å; W566-W594 AromaticContact CE3-CE3 3.72Å; W566-W594 HydrophobicContact CE3-CE3 3.72Å; W566-W594 AromaticContact CG-CE3 3.83Å; W566-W594 HydrophobicContact CG-CE3 3.83Å; W566-W594 AromaticContact CG-CZ3 3.85Å; W566-W594 HydrophobicContact CG-CZ3 3.85Å; W566-W594 HydrophobicContact CH2-CB 3.96Å; W566-W594 HydrophobicContact CZ3-CB 3.71Å; W566-W594 HydrophobicContact CZ3-CE3 4.38Å; L590-W594 WeakPolarHBondContact O-CB 3.36Å; L590-W594 PolarHBondContact O-N 2.81Å; S592-W594 PolarHBondContact O-N 3.07Å; W594-M597 HydrophobicContact CE3-SD 4.25Å; W594-K602 HydrophobicContact CE3-CG 4.4Å; W594-K602 HydrophobicContact CH2-CB 3.93Å; W594-K602 HydrophobicContact CH2-CG 3.74Å; W594-K602 HydrophobicContact CZ2-CB 4.23Å; W594-K602 HydrophobicContact CZ2-CD 4.15Å; W594-K602 HydrophobicContact CZ2-CG 3.84Å; W594-K602 HydrophobicContact CZ3-CG 4.03Å; W594-K602 WeakPolarHBondContact O-CE 3.43Å; W594-K602 PolarHBondContact O-NZ 2.94Å; W594-K602 VanDerWaalsContact O-NZ 3.09Å; W594-Y605 HydrophobicContact CZ3-CD2 4.12Å; W594-Y605 HydrophobicContact CZ3-CG 4.36Å
595K98Very high97.4Very high171 Ų17169.1 Ų69.174%0.74337%0.366SS*.Hα-helixtrans-66.3-43.8174.1-75.9174.4176.8-174.30111.3G591 S592 R593 K602G591-K595 WeakPolarHBondContact O-CG 3.36Å; G591-K595 PolarHBondContact O-N 3.03Å; S592-K595 WeakPolarHBondContact O-CB 3.37Å; S592-K595 PolarHBondContact O-N 2.67Å; S592-K595 VanDerWaalsContact O-N 3.09Å; R593-K595 VanDerWaalsContact C-N 3.3Å; R593-K595 PolarHBondContact O-N 3.39Å; K595-K602 PolarHBondContact O-NZ 2.98Å
596A98.1Very high97.4Very high88 Ų8869.2 Ų69.273%0.72736%0.362SS*.Hα-helixtrans-69.1-29.9-176.600000114.8S592 R593S592-A596 PolarHBondContact O-N 2.95Å; S592-A596 VanDerWaalsContact O-N 3.07Å; R593-A596 PolarHBondContact O-N 3.26Å
597M96.7Very high97.4Very high20 Ų2074.6 Ų74.610%0.09939%0.387CS..SBendtrans-58144.6175.8-73.3164.17000112.2W566 R593 W594 E601 K602 Y605W566-M597 HydrophobicContact CD2-SD 4.5Å; W566-M597 HydrophobicContact CZ2-SD 3.73Å; W566-M597 PolarHBondContact NE1-SD 2.81Å; W566-M597 VanDerWaalsContact NE1-SD 3.44Å; R593-M597 WeakPolarHBondContact O-CG 3.41Å; R593-M597 PolarHBondContact O-N 3.44Å; R593-M597 VanDerWaalsContact O-N 3.11Å; W594-M597 HydrophobicContact CE3-SD 4.25Å; M597-E601 HydrophobicContact CB-CB 4.22Å; M597-E601 HydrophobicContact CE-CB 3.77Å; M597-K602 HydrophobicContact CB-CG 4.3Å; M597-K602 VanDerWaalsContact O-CE 3.31Å; M597-K602 WeakPolarHBondContact O-CE 3.39Å; M597-K602 PolarHBondContact O-NZ 2.89Å; M597-Y605 HydrophobicContact CE-CE2 4.18Å
598T97.1Very high97.4Very high76 Ų7675.1 Ų75.147%0.46638%0.384SS..  trans-65.2166.5171.261.80000112.3L600 E601 K602T598-L600 VanDerWaalsContact C-N 3.29Å; T598-E601 WeakPolarHBondContact CB-OE2 3.28Å; T598-E601 WeakPolarHBondContact CG2-OE2 3.35Å; T598-E601 PolarHBondContact N-OE2 3.4Å; T598-E601 VanDerWaalsContact OG1-CG 3.3Å; T598-E601 WeakPolarHBondContact OG1-CG 3.24Å; T598-E601 PolarHBondContact OG1-N 3.49Å; T598-E601 VanDerWaalsContact OG1-N 3.13Å; T598-E601 PolarHBondContact OG1-OE2 3.16Å; T598-K602 WeakPolarHBondContact O-CD 3.46Å; T598-K602 VanDerWaalsContact O-CG 3.26Å; T598-K602 WeakPolarHBondContact O-CG 3.38Å; T598-K602 PolarHBondContact O-N 3.48Å
599N94.9Very high97.4Very high82 Ų8271 Ų7144%0.43937%0.367SS..Hα-helixtrans-65.3-34.9172-66.4-39.2000111.7K602 Q603N599-K602 PolarHBondContact O-N 2.96Å; N599-K602 VanDerWaalsContact O-N 3.14Å; N599-Q603 PolarHBondContact O-N 3.37Å
600L96.1Very high97.4Very high129 Ų12969.1 Ų69.168%0.67536%0.364SS*.Hα-helixtrans-62.5-42.9177-174.563.4000112.3T598 K602 Q603T598-L600 VanDerWaalsContact C-N 3.29Å; L600-K602 VanDerWaalsContact C-N 3.29Å; L600-K602 PolarHBondContact O-N 3.13Å; L600-Q603 WeakPolarHBondContact O-CB 3.25Å; L600-Q603 PolarHBondContact O-N 3.05Å
601E96.7Very high97.4Very high96 Ų9674.6 Ų74.645%0.44938%0.384SS..Hα-helixtrans-68.1-27.5173.8-70.8165.695.600113.2M597 T598 Y605M597-E601 HydrophobicContact CB-CB 4.22Å; M597-E601 HydrophobicContact CE-CB 3.77Å; T598-E601 WeakPolarHBondContact CB-OE2 3.28Å; T598-E601 WeakPolarHBondContact CG2-OE2 3.35Å; T598-E601 PolarHBondContact N-OE2 3.4Å; T598-E601 VanDerWaalsContact OG1-CG 3.3Å; T598-E601 WeakPolarHBondContact OG1-CG 3.24Å; T598-E601 PolarHBondContact OG1-N 3.49Å; T598-E601 VanDerWaalsContact OG1-N 3.13Å; T598-E601 PolarHBondContact OG1-OE2 3.16Å; E601-Y605 WeakPolarHBondContact O-CD2 3.11Å; E601-Y605 WeakPolarHBondContact O-CE2 3.33Å
602K97.8Very high97.3Very high21 Ų2175 Ų759%0.09138%0.381CS..Hα-helixtrans-79.3-27177.5-69.3163.6175147.40112.7W594 K595 M597 T598 N599 L600 Y605 Y606W594-K602 HydrophobicContact CE3-CG 4.4Å; W594-K602 HydrophobicContact CH2-CB 3.93Å; W594-K602 HydrophobicContact CH2-CG 3.74Å; W594-K602 HydrophobicContact CZ2-CB 4.23Å; W594-K602 HydrophobicContact CZ2-CD 4.15Å; W594-K602 HydrophobicContact CZ2-CG 3.84Å; W594-K602 HydrophobicContact CZ3-CG 4.03Å; W594-K602 WeakPolarHBondContact O-CE 3.43Å; W594-K602 PolarHBondContact O-NZ 2.94Å; W594-K602 VanDerWaalsContact O-NZ 3.09Å; K595-K602 PolarHBondContact O-NZ 2.98Å; M597-K602 HydrophobicContact CB-CG 4.3Å; M597-K602 VanDerWaalsContact O-CE 3.31Å; M597-K602 WeakPolarHBondContact O-CE 3.39Å; M597-K602 PolarHBondContact O-NZ 2.89Å; T598-K602 WeakPolarHBondContact O-CD 3.46Å; T598-K602 VanDerWaalsContact O-CG 3.26Å; T598-K602 WeakPolarHBondContact O-CG 3.38Å; T598-K602 PolarHBondContact O-N 3.48Å; N599-K602 PolarHBondContact O-N 2.96Å; N599-K602 VanDerWaalsContact O-N 3.14Å; L600-K602 VanDerWaalsContact C-N 3.29Å; L600-K602 PolarHBondContact O-N 3.13Å; K602-Y605 WeakPolarHBondContact O-CB 3.46Å; K602-Y605 PolarHBondContact O-N 2.99Å; K602-Y606 HydrophobicContact CB-CD2 3.97Å; K602-Y606 HydrophobicContact CB-CE2 3.62Å; K602-Y606 WeakPolarHBondContact O-CD2 3.4Å; K602-Y606 PolarHBondContact O-N 3.4Å
603Q96.7Very high97.3Very high51 Ų5173.8 Ų73.824%0.23837%0.372CS..Hα-helixtrans-47.2-53.4-175-176.559.816.200115N599 L600 Y605 Y606 E607N599-Q603 PolarHBondContact O-N 3.37Å; L600-Q603 WeakPolarHBondContact O-CB 3.25Å; L600-Q603 PolarHBondContact O-N 3.05Å; Q603-Y605 PolarHBondContact O-N 2.88Å; Q603-Y605 VanDerWaalsContact O-N 3.11Å; Q603-Y606 WeakPolarHBondContact O-CB 3.48Å; Q603-Y606 PolarHBondContact O-N 3.26Å; Q603-E607 WeakPolarHBondContact CG-OE1 3.4Å; Q603-E607 PolarHBondContact NE2-OE1 2.92Å; Q603-E607 PolarHBondContact O-N 3.45Å
604P97.4Very high97.2Very high66 Ų6675.3 Ų75.343%0.42938%0.382SS..Hα-helixtrans-60.7-26.6-179.823-34.8000113.4E608P604-E608 WeakPolarHBondContact O-CB 3.49Å; P604-E608 PolarHBondContact O-N 2.87Å
605Y98.2Very high97.1Very high71 Ų7178.4 Ų78.428%0.27840%0.398SS..Hα-helixtrans-81.1-25.6176.4-52.7-73.4000112.7A562 V565 W566 W594 M597 E601 K602 Q603 Q609A562-Y605 WeakPolarHBondContact CA-O 3.35Å; A562-Y605 VanDerWaalsContact CB-O 3.23Å; A562-Y605 WeakPolarHBondContact CB-O 3.28Å; V565-Y605 HydrophobicContact CG1-CD1 4Å; W566-Y605 HydrophobicContact CB-CD1 3.72Å; W566-Y605 HydrophobicContact CB-CD2 4.26Å; W566-Y605 HydrophobicContact CB-CE1 3.92Å; W566-Y605 HydrophobicContact CB-CE2 4.44Å; W566-Y605 HydrophobicContact CB-CG 3.9Å; W566-Y605 AromaticContact CD1-CE2 3.66Å; W566-Y605 AromaticContact CD1-CZ 3.58Å; W566-Y605 HydrophobicContact CG-CE1 4.42Å; W566-Y605 HydrophobicContact CG-CE2 4.39Å; W594-Y605 HydrophobicContact CZ3-CD2 4.12Å; W594-Y605 HydrophobicContact CZ3-CG 4.36Å; M597-Y605 HydrophobicContact CE-CE2 4.18Å; E601-Y605 WeakPolarHBondContact O-CD2 3.11Å; E601-Y605 WeakPolarHBondContact O-CE2 3.33Å; K602-Y605 WeakPolarHBondContact O-CB 3.46Å; K602-Y605 PolarHBondContact O-N 2.99Å; Q603-Y605 PolarHBondContact O-N 2.88Å; Q603-Y605 VanDerWaalsContact O-N 3.11Å; Y605-Q609 VanDerWaalsContact O-CB 3.28Å; Y605-Q609 WeakPolarHBondContact O-CB 3.31Å; Y605-Q609 PolarHBondContact O-N 2.73Å
606Y97.9Very high97.1Very high63 Ų6371.5 Ų71.525%0.24737%0.368CS..Hα-helixtrans-72.3-39.5168.3-74.4-63.3000111.6M151 A562 K602 Q603 Q609 A610M151-Y606 HydrophobicContact CE-CD1 3.87Å; M151-Y606 HydrophobicContact CE-CE1 3.95Å; M151-Y606 HydrophobicContact SD-CD1 3.72Å; M151-Y606 HydrophobicContact SD-CE1 4.25Å; M151-Y606 HydrophobicContact SD-CG 4Å; A562-Y606 HydrophobicContact CB-CD1 3.68Å; A562-Y606 HydrophobicContact CB-CE1 3.9Å; A562-Y606 HydrophobicContact CB-CG 4.16Å; K602-Y606 HydrophobicContact CB-CD2 3.97Å; K602-Y606 HydrophobicContact CB-CE2 3.62Å; K602-Y606 WeakPolarHBondContact O-CD2 3.4Å; K602-Y606 PolarHBondContact O-N 3.4Å; Q603-Y606 WeakPolarHBondContact O-CB 3.48Å; Q603-Y606 PolarHBondContact O-N 3.26Å; Y606-Q609 WeakPolarHBondContact O-CB 3.27Å; Y606-Q609 PolarHBondContact O-N 2.72Å; Y606-A610 PolarHBondContact O-N 2.7Å
607E97.6Very high96.9Very high112 Ų11271.9 Ų71.952%0.52336%0.357SS..Hα-helixtrans-64.1-46.8173.4-69.5171.5-170.700111.5Q603 Q609 A610 R611Q603-E607 WeakPolarHBondContact CG-OE1 3.4Å; Q603-E607 PolarHBondContact NE2-OE1 2.92Å; Q603-E607 PolarHBondContact O-N 3.45Å; E607-Q609 VanDerWaalsContact C-N 3.34Å; E607-Q609 PolarHBondContact O-N 3.36Å; E607-A610 WeakPolarHBondContact O-CB 3.44Å; E607-A610 PolarHBondContact O-N 2.97Å; E607-A610 VanDerWaalsContact O-N 3.11Å; E607-R611 PolarHBondContact O-N 3.25Å
608E97Very high96.9Very high57 Ų5777.8 Ų77.827%0.26638%0.384SS..Hα-helixtrans-65-35.7175176.957.3-168.700112.2V565 P604 R611 L612V565-E608 HydrophobicContact CG1-CB 4.3Å; V565-E608 HydrophobicContact CG1-CG 3.63Å; V565-E608 HydrophobicContact CG2-CG 4.2Å; P604-E608 WeakPolarHBondContact O-CB 3.49Å; P604-E608 PolarHBondContact O-N 2.87Å; E608-R611 PolarHBondContact O-N 3.24Å; E608-R611 IonicContact OE1-CZ 3.52Å; E608-R611 IonicContact OE1-NE 2.9Å; E608-R611 IonicContact OE1-NH2 3.49Å; E608-R611 PolarHBondContact OE1-NH2 3.12Å; E608-R611 IonicContact OE2-CZ 3.35Å; E608-R611 IonicContact OE2-NE 2.66Å; E608-R611 PolarHBondContact OE2-NE 2.72Å; E608-R611 IonicContact OE2-NH2 2.72Å; E608-R611 PolarHBondContact OE2-NH2 3.25Å; E608-L612 HydrophobicContact CG-CD1 4.01Å; E608-L612 HydrophobicContact CG-CG 4.38Å; E608-L612 VanDerWaalsContact O-CB 3.31Å; E608-L612 WeakPolarHBondContact O-CB 3.45Å; E608-L612 VanDerWaalsContact O-CG 3.24Å; E608-L612 WeakPolarHBondContact O-CG 3.48Å; E608-L612 PolarHBondContact O-N 3.42Å; E608-L612 WeakPolarHBondContact OE1-CD1 3Å; E608-L612 WeakPolarHBondContact OE1-CG 3.38Å
609Q97.5Very high96.9Very high52 Ų5281.1 Ų81.124%0.24339%0.393CS..Hα-helixtrans-58.9-46.4169.1170.8-170.7-91.100111.4N561 A562 Y605 Y606 E607 L612 S613N561-Q609 VanDerWaalsContact CB-OE1 3.27Å; A562-Q609 HydrophobicContact CB-CB 4.26Å; Y605-Q609 VanDerWaalsContact O-CB 3.28Å; Y605-Q609 WeakPolarHBondContact O-CB 3.31Å; Y605-Q609 PolarHBondContact O-N 2.73Å; Y606-Q609 WeakPolarHBondContact O-CB 3.27Å; Y606-Q609 PolarHBondContact O-N 2.72Å; E607-Q609 VanDerWaalsContact C-N 3.34Å; E607-Q609 PolarHBondContact O-N 3.36Å; Q609-L612 PolarHBondContact O-N 2.92Å; Q609-S613 VanDerWaalsContact O-CB 3.29Å; Q609-S613 WeakPolarHBondContact O-CB 3.37Å; Q609-S613 PolarHBondContact O-N 3.31Å
610A97.2Very high96.9Very high41 Ų4180.7 Ų80.734%0.33939%0.385SS..Hα-helixtrans-64.2-43.4179.200000111.1Y606 E607 S613 K614Y606-A610 PolarHBondContact O-N 2.7Å; E607-A610 WeakPolarHBondContact O-CB 3.44Å; E607-A610 PolarHBondContact O-N 2.97Å; E607-A610 VanDerWaalsContact O-N 3.11Å; A610-S613 PolarHBondContact O-N 2.88Å; A610-K614 WeakPolarHBondContact O-CB 3.42Å; A610-K614 PolarHBondContact O-N 2.9Å
611R98.2Very high96.8Very high116 Ų11678.3 Ų78.344%0.43838%0.378SS..Hα-helixtrans-59.9-48.1175.3-162.4-163.865.5678.3111.8E607 E608 K614 Q615E607-R611 PolarHBondContact O-N 3.25Å; E608-R611 PolarHBondContact O-N 3.24Å; E608-R611 IonicContact OE1-CZ 3.52Å; E608-R611 IonicContact OE1-NE 2.9Å; E608-R611 IonicContact OE1-NH2 3.49Å; E608-R611 PolarHBondContact OE1-NH2 3.12Å; E608-R611 IonicContact OE2-CZ 3.35Å; E608-R611 IonicContact OE2-NE 2.66Å; E608-R611 PolarHBondContact OE2-NE 2.72Å; E608-R611 IonicContact OE2-NH2 2.72Å; E608-R611 PolarHBondContact OE2-NH2 3.25Å; R611-K614 PolarHBondContact O-N 2.75Å; R611-Q615 WeakPolarHBondContact O-CB 3.44Å; R611-Q615 PolarHBondContact O-N 2.88Å
612L97.2Very high96.6Very high33 Ų3380.7 Ų80.717%0.17339%0.394CS..Hα-helixtrans-64.2-38.1176.3-73.3170.7000112.4P559 M560 V565 E608 Q609 H616P559-L612 HydrophobicContact CB-CB 4.5Å; M560-L612 HydrophobicContact CB-CD1 4.35Å; M560-L612 HydrophobicContact CE-CD1 4.07Å; V565-L612 HydrophobicContact CG2-CD1 3.7Å; E608-L612 HydrophobicContact CG-CD1 4.01Å; E608-L612 HydrophobicContact CG-CG 4.38Å; E608-L612 VanDerWaalsContact O-CB 3.31Å; E608-L612 WeakPolarHBondContact O-CB 3.45Å; E608-L612 VanDerWaalsContact O-CG 3.24Å; E608-L612 WeakPolarHBondContact O-CG 3.48Å; E608-L612 PolarHBondContact O-N 3.42Å; E608-L612 WeakPolarHBondContact OE1-CD1 3Å; E608-L612 WeakPolarHBondContact OE1-CG 3.38Å; Q609-L612 PolarHBondContact O-N 2.92Å; L612-H616 WeakPolarHBondContact O-CB 3.47Å; L612-H616 PolarHBondContact O-N 3.41Å
613S96.7Very high96.5Very high54 Ų5482.7 Ų82.738%0.37840%0.401SS..Hα-helixtrans-67.5-42.5177.3-163.60000111.7Q609 A610 H616 L617Q609-S613 VanDerWaalsContact O-CB 3.29Å; Q609-S613 WeakPolarHBondContact O-CB 3.37Å; Q609-S613 PolarHBondContact O-N 3.31Å; A610-S613 PolarHBondContact O-N 2.88Å; S613-H616 PolarHBondContact O-N 3.43Å; S613-L617 PolarHBondContact O-N 3.44Å
614K96.3Very high96.3Very high150 Ų15087.7 Ų87.765%0.65242%0.422SS*.Hα-helixtrans-60.5-54.4172.8-178.5-174.1172.8-171.80111.1A610 R611 H616 L617 E618A610-K614 WeakPolarHBondContact O-CB 3.42Å; A610-K614 PolarHBondContact O-N 2.9Å; R611-K614 PolarHBondContact O-N 2.75Å; K614-H616 PolarHBondContact O-N 3.29Å; K614-L617 PolarHBondContact O-N 2.99Å; K614-L617 VanDerWaalsContact O-N 3.13Å; K614-E618 VanDerWaalsContact O-CB 3.32Å; K614-E618 WeakPolarHBondContact O-CB 3.46Å; K614-E618 PolarHBondContact O-N 2.91Å
615Q96.8Very high96.2Very high98 Ų9890.2 Ų90.246%0.45842%0.424SS..Hα-helixtrans-58.6-33.3179.6-172.6179.414.100112R611 K619R611-Q615 WeakPolarHBondContact O-CB 3.44Å; R611-Q615 PolarHBondContact O-N 2.88Å; Q615-K619 VanDerWaalsContact O-CB 3.31Å; Q615-K619 WeakPolarHBondContact O-CB 3.41Å; Q615-K619 PolarHBondContact O-N 3.25Å
616H97.2Very high95.8Very high25 Ų2595 Ų9512%0.11645%0.446CS..Hα-helixtrans-69.5-45176.1-171.482.8000112.8I556 K557 P559 L612 S613 K614 K619 Y620 Y623I556-H616 WeakPolarHBondContact CG2-CE1 3.4Å; K557-H616 PolarHBondContact O-CE1 3.24Å; P559-H616 HydrophobicContact CB-CB 4.06Å; P559-H616 HydrophobicContact CG-CB 4.22Å; L612-H616 WeakPolarHBondContact O-CB 3.47Å; L612-H616 PolarHBondContact O-N 3.41Å; S613-H616 PolarHBondContact O-N 3.43Å; K614-H616 PolarHBondContact O-N 3.29Å; H616-K619 PolarHBondContact O-N 3.42Å; H616-Y620 AromaticContact CE1-CD2 3.73Å; H616-Y620 AromaticContact ND1-CD2 3.84Å; H616-Y620 WeakPolarHBondContact O-CB 3.41Å; H616-Y620 PolarHBondContact O-N 2.91Å; H616-Y623 AromaticContact NE2-CD1 3.64Å; H616-Y623 AromaticContact NE2-CD2 3.69Å; H616-Y623 AromaticContact NE2-CE1 3.86Å; H616-Y623 AromaticContact NE2-CE2 3.91Å; H616-Y623 AromaticContact NE2-CG 3.53Å; H616-Y623 AromaticContact NE2-CZ 3.98Å
617L94.9Very high95.2Very high97 Ų9796.1 Ų96.151%0.50846%0.461SS..Hα-helixtrans-69-36178-176.761.9000111.9S613 K614 Y620 P621S613-L617 PolarHBondContact O-N 3.44Å; K614-L617 PolarHBondContact O-N 2.99Å; K614-L617 VanDerWaalsContact O-N 3.13Å; L617-Y620 CarbonylContact O-C 3.58Å; L617-Y620 VanDerWaalsContact O-C 3.28Å; L617-Y620 PolarHBondContact O-N 3.18Å; L617-P621 VanDerWaalsContact O-CA 3.28Å; L617-P621 WeakPolarHBondContact O-CA 3.15Å; L617-P621 VanDerWaalsContact O-N 3.14Å
618E95.9Very high94.4Very high143 Ų14396.6 Ų96.667%0.66846%0.458SS*.Hα-helixtrans-64.1-45174.1-179.7169.5-147.900112K614K614-E618 VanDerWaalsContact O-CB 3.32Å; K614-E618 WeakPolarHBondContact O-CB 3.46Å; K614-E618 PolarHBondContact O-N 2.91Å
619K96.3Very high93.6Very high147 Ų14798.1 Ų98.164%0.63947%0.473SS*.Hα-helixtrans-74.3-26.9176.6-170.9170.9-177.6176.40113.5Q615 H616Q615-K619 VanDerWaalsContact O-CB 3.31Å; Q615-K619 WeakPolarHBondContact O-CB 3.41Å; Q615-K619 PolarHBondContact O-N 3.25Å; H616-K619 PolarHBondContact O-N 3.42Å
620Y95Very high92.3Very high72 Ų72105.5 Ų105.528%0.28250%0.504SS..  trans-136.170.4-174.9-54.7-68.9000111.5I556 H616 L617 D622 Y623I556-Y620 HydrophobicContact CD1-CD1 3.48Å; I556-Y620 VanDerWaalsContact CD1-CD1 3.48Å; I556-Y620 HydrophobicContact CD1-CE1 3.9Å; I556-Y620 HydrophobicContact CD1-CG 3.94Å; I556-Y620 HydrophobicContact CG1-CD1 4Å; I556-Y620 HydrophobicContact CG1-CE1 3.95Å; I556-Y620 HydrophobicContact CG1-CG 4.41Å; I556-Y620 HydrophobicContact CG2-CD1 4.41Å; I556-Y620 HydrophobicContact CG2-CD2 3.79Å; I556-Y620 HydrophobicContact CG2-CE2 4.02Å; I556-Y620 HydrophobicContact CG2-CG 4Å; H616-Y620 AromaticContact CE1-CD2 3.73Å; H616-Y620 AromaticContact ND1-CD2 3.84Å; H616-Y620 WeakPolarHBondContact O-CB 3.41Å; H616-Y620 PolarHBondContact O-N 2.91Å; L617-Y620 CarbonylContact O-C 3.58Å; L617-Y620 VanDerWaalsContact O-C 3.28Å; L617-Y620 PolarHBondContact O-N 3.18Å; Y620-D622 VanDerWaalsContact C-N 3.26Å; Y620-D622 PolarHBondContact O-N 3.15Å; Y620-Y623 WeakPolarHBondContact O-CB 3.19Å; Y620-Y623 PolarHBondContact O-N 2.71Å
621P95Very high91.3Very high79 Ų79113.6 Ų113.651%0.51353%0.526SS..THydrogen-bonded Turntrans-63.4-28.6-174.423.7-34.5000114.1L617 Y623L617-P621 VanDerWaalsContact O-CA 3.28Å; L617-P621 WeakPolarHBondContact O-CA 3.15Å; L617-P621 VanDerWaalsContact O-N 3.14Å; P621-Y623 VanDerWaalsContact C-N 3.29Å
622D92.6Very high90.4Very high147 Ų147109.8 Ų109.879%0.78652%0.516SS*.THydrogen-bonded Turntrans-87.39.8173.8-72.6-59.2000113.9Y620 K624Y620-D622 VanDerWaalsContact C-N 3.26Å; Y620-D622 PolarHBondContact O-N 3.15Å; D622-K624 PolarHBondContact O-N 3.37Å; D622-K624 VanDerWaalsContact O-N 3.13Å
623Y95Very high89.5Confident62 Ų62108.9 Ų108.924%0.24351%0.512CS..  trans-60.5120.3177.7-176-103.7000111.5I556 R558 H616 Y620 P621I556-Y623 HydrophobicContact CB-CD2 3.94Å; I556-Y623 HydrophobicContact CB-CE2 3.91Å; I556-Y623 HydrophobicContact CD1-CD2 4.47Å; I556-Y623 HydrophobicContact CG2-CD2 3.45Å; I556-Y623 VanDerWaalsContact CG2-CD2 3.45Å; I556-Y623 HydrophobicContact CG2-CE2 3.56Å; I556-Y623 HydrophobicContact CG2-CG 4.45Å; I556-Y623 WeakPolarHBondContact O-CE2 3.32Å; R558-Y623 WeakPolarHBondContact CG-OH 3.13Å; H616-Y623 AromaticContact NE2-CD1 3.64Å; H616-Y623 AromaticContact NE2-CD2 3.69Å; H616-Y623 AromaticContact NE2-CE1 3.86Å; H616-Y623 AromaticContact NE2-CE2 3.91Å; H616-Y623 AromaticContact NE2-CG 3.53Å; H616-Y623 AromaticContact NE2-CZ 3.98Å; Y620-Y623 WeakPolarHBondContact O-CB 3.19Å; Y620-Y623 PolarHBondContact O-N 2.71Å; P621-Y623 VanDerWaalsContact C-N 3.29Å
624K93Very high88.7Confident157 Ų157109.4 Ų109.468%0.68351%0.51SS*.  trans-126.2118.6172.9-172.1169.7-175.9173.40109.7D622 K626D622-K624 PolarHBondContact O-N 3.37Å; D622-K624 VanDerWaalsContact O-N 3.13Å; K624-K626 WeakPolarHBondContact O-CG 3.31Å; K624-K626 PolarHBondContact O-N 3.02Å
625Y94.9Very high88Confident118 Ų118103.2 Ų103.246%0.46349%0.485SS..  trans-59.2110.6174.1171.2-133000110.7R558 P627R558-Y625 VanDerWaalsContact CZ-CZ 3.48Å; R558-Y625 VanDerWaalsContact NH1-CZ 3.33Å; R558-Y625 PolarHBondContact NH1-OH 3.08Å; R558-Y625 PolarHBondContact NH2-OH 3.02Å; Y625-P627 HydrophobicContact CE1-CB 4.33Å; Y625-P627 HydrophobicContact CE2-CB 4.14Å; Y625-P627 WeakPolarHBondContact O-CD 3.08Å
626K89.1Confident87.3Confident171 Ų171104.1 Ų104.174%0.74349%0.493SS*.  trans-107.993.8177.1-71.3163.4-174.2172.60108.2K624 R628K624-K626 WeakPolarHBondContact O-CG 3.31Å; K624-K626 PolarHBondContact O-N 3.02Å; K626-R628 PolarHBondContact O-N 3.46Å
627P85.8Confident86.5Confident87 Ų87105.8 Ų105.857%0.56552%0.517SS*.  trans-60.1125.7-17921.8-32.4000111.5Y625Y625-P627 HydrophobicContact CE1-CB 4.33Å; Y625-P627 HydrophobicContact CE2-CB 4.14Å; Y625-P627 WeakPolarHBondContact O-CD 3.08Å
628R80.1Confident86Confident123 Ų123108.3 Ų108.346%0.46452%0.524SS..  trans-81.2125.8178.5-169.3172.8174.9-65.3-29.6110.3K626 K630 T632 C633K626-R628 PolarHBondContact O-N 3.46Å; R628-K630 PolarHBondContact O-N 2.82Å; R628-K630 VanDerWaalsContact O-N 3.11Å; R628-T632 PolarHBondContact NH1-O 3.21Å; R628-T632 VanDerWaalsContact NH2-C 3.31Å; R628-T632 PolarHBondContact NH2-O 3.02Å; R628-T632 PolarHBondContact NH2-OG1 2.97Å; R628-C633 VanDerWaalsContact NH2-CA 3.27Å; R628-C633 PolarHBondContact NH2-O 3.01Å
629P81Confident85.4Confident88 Ų88109.9 Ų109.957%0.57153%0.528SS*.  trans-58115.1-178-28.136.4000113R631 T632P629-R631 PolarHBondContact O-N 3.45Å; P629-T632 HydrophobicContact CB-CG2 4.43Å; P629-T632 PolarHBondContact O-N 2.94Å; P629-T632 PolarHBondContact O-OG1 2.95Å
630K70.3Confident84.7Confident207 Ų207104 Ų10490%0.950%0.504SS*.THydrogen-bonded Turntrans-54.4-32-168.3-68.3-175.9178.5179.80114.7R628 T632R628-K630 PolarHBondContact O-N 2.82Å; R628-K630 VanDerWaalsContact O-N 3.11Å; K630-T632 VanDerWaalsContact C-N 3.29Å; K630-T632 PolarHBondContact O-N 3.13Å
631R76.7Confident84.3Confident211 Ų211108.6 Ų108.680%0.79652%0.521SS*.THydrogen-bonded Turntrans-85.714.8-179-66.2-174.4-178.8142.3-1.5114.4P629 R641 I642P629-R631 PolarHBondContact O-N 3.45Å; R631-R641 CarbonylContact O-C 3.47Å; R631-R641 VanDerWaalsContact O-CA 3.31Å; R631-R641 WeakPolarHBondContact O-CA 3.46Å; R631-I642 HydrophobicContact CB-CG2 4.36Å; R631-I642 PolarHBondContact O-N 3.35Å
632T78Confident83.7Confident37 Ų37108.5 Ų108.523%0.22752%0.515CS..BIsolated β-bridgetrans-120150.9175.763.10000112.1R628 P629 K630 L640R628-T632 PolarHBondContact NH1-O 3.21Å; R628-T632 VanDerWaalsContact NH2-C 3.31Å; R628-T632 PolarHBondContact NH2-O 3.02Å; R628-T632 PolarHBondContact NH2-OG1 2.97Å; P629-T632 HydrophobicContact CB-CG2 4.43Å; P629-T632 PolarHBondContact O-N 2.94Å; P629-T632 PolarHBondContact O-OG1 2.95Å; K630-T632 VanDerWaalsContact C-N 3.29Å; K630-T632 PolarHBondContact O-N 3.13Å; T632-L640 CarbonylContact C-O 3.6Å; T632-L640 WeakPolarHBondContact CA-O 3.39Å; T632-L640 VanDerWaalsContact CB-O 3.28Å; T632-L640 WeakPolarHBondContact CB-O 3.35Å
633C78.1Confident83.4Confident14 Ų14103.7 Ų103.710%0.09550%0.5CS..  trans-106.9-179.2160.1790000110.2R628 L640 Y645R628-C633 VanDerWaalsContact NH2-CA 3.27Å; R628-C633 PolarHBondContact NH2-O 3.01Å; C633-L640 PolarHBondContact N-O 2.96Å; C633-L640 PolarHBondContact O-N 3.45Å; C633-Y645 HydrophobicContact CB-CD1 4.5Å; C633-Y645 HydrophobicContact CB-CD2 3.92Å; C633-Y645 HydrophobicContact CB-CE2 4.46Å; C633-Y645 HydrophobicContact CB-CG 3.91Å; C633-Y645 VanDerWaalsContact SG-CB 3.56Å; C633-Y645 WeakPolarHBondContact SG-CD2 3.4Å
634L81.5Confident83.2Confident64 Ų64104 Ų10434%0.33550%0.504SS..  trans-128.2117.2163.5-81.4155.7000106.2R549 K638 K639R549-L634 PolarHBondContact NH1-O 3.48Å; R549-L634 PolarHBondContact NH2-O 3.42Å; L634-K638 WeakPolarHBondContact CA-O 3.46Å; L634-K639 HydrophobicContact CD2-CB 4.39Å; L634-K639 HydrophobicContact CD2-CG 3.51Å; L634-K639 HydrophobicContact CG-CG 4.39Å
635V80.5Confident82.9Confident20 Ų20100.4 Ų100.412%0.12149%0.487CS..BIsolated β-bridgetrans-127.2127.7174.8169.30000106.5G637 K638 Y645V635-G637 VanDerWaalsContact C-N 3.28Å; V635-G637 PolarHBondContact O-N 2.82Å; V635-K638 PolarHBondContact N-O 3.41Å; V635-K638 WeakPolarHBondContact O-CA 3.5Å; V635-K638 WeakPolarHBondContact O-CB 3.35Å; V635-K638 PolarHBondContact O-N 2.97Å; V635-Y645 HydrophobicContact CG2-CD2 3.53Å; V635-Y645 HydrophobicContact CG2-CE2 3.49Å; V635-Y645 VanDerWaalsContact CG2-CE2 3.49Å
636D81.5Confident82.6Confident117 Ų117101.5 Ų101.563%0.62649%0.494SS*.THydrogen-bonded Turntrans49.549.7173.5-45.6-21.6000112.4K638D636-K638 PolarHBondContact O-N 3.43Å
637G82.1Confident82.7Confident61 Ų6195.8 Ų95.863%0.62948%0.478SS*.THydrogen-bonded Turntrans75.3-29.3-174.600000115.4V635V635-G637 VanDerWaalsContact C-N 3.28Å; V635-G637 PolarHBondContact O-N 2.82Å
638K83.6Confident82.9Confident150 Ų15095.2 Ų95.265%0.65247%0.47SS*.BIsolated β-bridgetrans-77136.3-173.1-61.7173.5-176175.70112.1L634 V635 D636 L640L634-K638 WeakPolarHBondContact CA-O 3.46Å; V635-K638 PolarHBondContact N-O 3.41Å; V635-K638 WeakPolarHBondContact O-CA 3.5Å; V635-K638 WeakPolarHBondContact O-CB 3.35Å; V635-K638 PolarHBondContact O-N 2.97Å; D636-K638 PolarHBondContact O-N 3.43Å; K638-L640 HydrophobicContact CB-CD1 3.59Å; K638-L640 PolarHBondContact O-N 2.92Å
639K82.7Confident83.1Confident175 Ų17592.5 Ų92.576%0.76146%0.463SS*.  trans-85.591.8174.1-70.5171.9-174.7164.50109.7L634L634-K639 HydrophobicContact CD2-CB 4.39Å; L634-K639 HydrophobicContact CD2-CG 3.51Å; L634-K639 HydrophobicContact CG-CG 4.39Å
640L82.8Confident83.6Confident25 Ų2596 Ų9613%0.13147%0.465CS..  trans-88.7153.5175.1-88.463.4000111.2T632 C633 K638 E644 I648T632-L640 CarbonylContact C-O 3.6Å; T632-L640 WeakPolarHBondContact CA-O 3.39Å; T632-L640 VanDerWaalsContact CB-O 3.28Å; T632-L640 WeakPolarHBondContact CB-O 3.35Å; C633-L640 PolarHBondContact N-O 2.96Å; C633-L640 PolarHBondContact O-N 3.45Å; K638-L640 HydrophobicContact CB-CD1 3.59Å; K638-L640 PolarHBondContact O-N 2.92Å; L640-E644 WeakPolarHBondContact CA-OE2 3.34Å; L640-E644 HydrophobicContact CB-CB 4.03Å; L640-E644 HydrophobicContact CD2-CB 3.98Å; L640-E644 HydrophobicContact CG-CB 3.98Å; L640-I648 HydrophobicContact CD2-CD1 3.51Å; L640-I648 HydrophobicContact CD2-CG1 4.44Å
641R85.5Confident84.6Confident168 Ų16890 Ų9063%0.63444%0.443SS*.BIsolated β-bridgetrans-68.7159163.2-60.8-177.4-176.587.7-8110.4R631 G643 E644 Y645R631-R641 CarbonylContact O-C 3.47Å; R631-R641 VanDerWaalsContact O-CA 3.31Å; R631-R641 WeakPolarHBondContact O-CA 3.46Å; R641-G643 PolarHBondContact O-N 3.35Å; R641-E644 HydrophobicContact CB-CG 4.3Å; R641-E644 VanDerWaalsContact CB-OE1 3.32Å; R641-E644 WeakPolarHBondContact CB-OE1 3.5Å; R641-E644 WeakPolarHBondContact CD-OE1 3.24Å; R641-E644 WeakPolarHBondContact CG-OE1 3.5Å; R641-E644 IonicContact CZ-OE1 3.66Å; R641-E644 PolarHBondContact N-OE2 3.08Å; R641-E644 IonicContact NE-OE1 3.83Å; R641-E644 IonicContact NH1-OE1 2.72Å; R641-E644 PolarHBondContact NH1-OE1 2.87Å; R641-E644 PolarHBondContact O-N 3.44Å; R641-Y645 PolarHBondContact O-N 3.28Å
642I83Confident85.2Confident76 Ų7686.3 Ų86.339%0.3943%0.429SS..Hα-helixtrans-63.9-25.5178.8-168.961.4000113R631 Y645 K646R631-I642 HydrophobicContact CB-CG2 4.36Å; R631-I642 PolarHBondContact O-N 3.35Å; I642-Y645 HydrophobicContact CD1-CD1 3.94Å; I642-K646 WeakPolarHBondContact O-CB 3.4Å; I642-K646 WeakPolarHBondContact O-CG 3.46Å; I642-K646 PolarHBondContact O-N 3.31Å; I642-K646 VanDerWaalsContact O-N 3.1Å
643G86.7Confident85.7Confident46 Ų4693.8 Ų93.847%0.47445%0.453SS..Hα-helixtrans-68.6-53.7170.700000112.2R641 Y645 K646 A647R641-G643 PolarHBondContact O-N 3.35Å; G643-Y645 VanDerWaalsContact C-N 3.26Å; G643-Y645 PolarHBondContact O-N 3.1Å; G643-K646 PolarHBondContact O-N 3.34Å; G643-K646 VanDerWaalsContact O-N 3.08Å; G643-A647 PolarHBondContact O-N 3.16Å
644E89.5Confident86.3Confident70 Ų7097.8 Ų97.833%0.32747%0.47SS..Hα-helixtrans-55.2-41.4174.8-64.3147.8-14700111.5L640 R641 A647 I648L640-E644 WeakPolarHBondContact CA-OE2 3.34Å; L640-E644 HydrophobicContact CB-CB 4.03Å; L640-E644 HydrophobicContact CD2-CB 3.98Å; L640-E644 HydrophobicContact CG-CB 3.98Å; R641-E644 HydrophobicContact CB-CG 4.3Å; R641-E644 VanDerWaalsContact CB-OE1 3.32Å; R641-E644 WeakPolarHBondContact CB-OE1 3.5Å; R641-E644 WeakPolarHBondContact CD-OE1 3.24Å; R641-E644 WeakPolarHBondContact CG-OE1 3.5Å; R641-E644 IonicContact CZ-OE1 3.66Å; R641-E644 PolarHBondContact N-OE2 3.08Å; R641-E644 IonicContact NE-OE1 3.83Å; R641-E644 IonicContact NH1-OE1 2.72Å; R641-E644 PolarHBondContact NH1-OE1 2.87Å; R641-E644 PolarHBondContact O-N 3.44Å; E644-A647 WeakPolarHBondContact O-CB 3.19Å; E644-A647 PolarHBondContact O-N 3.04Å; E644-I648 PolarHBondContact O-N 2.82Å
645Y87Confident86.5Confident80 Ų8098.5 Ų98.531%0.31447%0.472SS..Hα-helixtrans-59.5-48.8173.3-178.5-113.4000113.2C633 V635 R641 I642 G643 A647 I648 M649C633-Y645 HydrophobicContact CB-CD1 4.5Å; C633-Y645 HydrophobicContact CB-CD2 3.92Å; C633-Y645 HydrophobicContact CB-CE2 4.46Å; C633-Y645 HydrophobicContact CB-CG 3.91Å; C633-Y645 VanDerWaalsContact SG-CB 3.56Å; C633-Y645 WeakPolarHBondContact SG-CD2 3.4Å; V635-Y645 HydrophobicContact CG2-CD2 3.53Å; V635-Y645 HydrophobicContact CG2-CE2 3.49Å; V635-Y645 VanDerWaalsContact CG2-CE2 3.49Å; R641-Y645 PolarHBondContact O-N 3.28Å; I642-Y645 HydrophobicContact CD1-CD1 3.94Å; G643-Y645 VanDerWaalsContact C-N 3.26Å; G643-Y645 PolarHBondContact O-N 3.1Å; Y645-A647 VanDerWaalsContact C-N 3.27Å; Y645-A647 PolarHBondContact O-N 3.38Å; Y645-I648 PolarHBondContact O-N 2.84Å; Y645-M649 HydrophobicContact CD2-CG 4.13Å; Y645-M649 HydrophobicContact CE1-CG 4.21Å; Y645-M649 HydrophobicContact CE2-CE 3.62Å; Y645-M649 HydrophobicContact CE2-CG 3.72Å; Y645-M649 WeakPolarHBondContact O-CB 3.44Å; Y645-M649 WeakPolarHBondContact O-CG 3.47Å; Y645-M649 PolarHBondContact O-N 3.43Å
646K89.6Confident86.4Confident142 Ų142103.3 Ų103.362%0.61749%0.494SS*.Hα-helixtrans-64.9-32.5177.4-79.6-173.9172.2-166.60111.6I642 G643 R650I642-K646 WeakPolarHBondContact O-CB 3.4Å; I642-K646 WeakPolarHBondContact O-CG 3.46Å; I642-K646 PolarHBondContact O-N 3.31Å; I642-K646 VanDerWaalsContact O-N 3.1Å; G643-K646 PolarHBondContact O-N 3.34Å; G643-K646 VanDerWaalsContact O-N 3.08Å; K646-R650 VanDerWaalsContact O-CB 3.26Å; K646-R650 WeakPolarHBondContact O-CB 3.39Å; K646-R650 PolarHBondContact O-N 3.18Å
647A91.2Very high86.4Confident50 Ų50107.1 Ų107.141%0.41350%0.5SS..Hα-helixtrans-66.2-52.7174.300000111.5G643 E644 Y645 M649 R650 N651G643-A647 PolarHBondContact O-N 3.16Å; E644-A647 WeakPolarHBondContact O-CB 3.19Å; E644-A647 PolarHBondContact O-N 3.04Å; Y645-A647 VanDerWaalsContact C-N 3.27Å; Y645-A647 PolarHBondContact O-N 3.38Å; A647-M649 PolarHBondContact O-N 2.87Å; A647-R650 PolarHBondContact O-N 2.7Å; A647-R650 VanDerWaalsContact O-N 3.12Å; A647-N651 PolarHBondContact O-N 3.39Å
648I89.1Confident86.1Confident76 Ų76110.6 Ų110.639%0.3950%0.5SS..Hα-helixtrans-61.5-42.1177.4-67.1-174.9000111.6L640 E644 Y645 R650 N651 R652L640-I648 HydrophobicContact CD2-CD1 3.51Å; L640-I648 HydrophobicContact CD2-CG1 4.44Å; E644-I648 PolarHBondContact O-N 2.82Å; Y645-I648 PolarHBondContact O-N 2.84Å; I648-R650 VanDerWaalsContact C-N 3.28Å; I648-R650 PolarHBondContact O-N 3.16Å; I648-N651 PolarHBondContact O-N 2.87Å; I648-R652 WeakPolarHBondContact O-CB 3.36Å; I648-R652 PolarHBondContact O-N 3.3Å
649M85.1Confident85.2Confident65 Ų65111.9 Ų111.932%0.3250%0.502SS..Hα-helixtrans-72.4-18.9177.8-70.9-66.5172.600113.6Y645 A647 R653Y645-M649 HydrophobicContact CD2-CG 4.13Å; Y645-M649 HydrophobicContact CE1-CG 4.21Å; Y645-M649 HydrophobicContact CE2-CE 3.62Å; Y645-M649 HydrophobicContact CE2-CG 3.72Å; Y645-M649 WeakPolarHBondContact O-CB 3.44Å; Y645-M649 WeakPolarHBondContact O-CG 3.47Å; Y645-M649 PolarHBondContact O-N 3.43Å; A647-M649 PolarHBondContact O-N 2.87Å; M649-R653 WeakPolarHBondContact O-CG 3.26Å
650R91.6Very high84.1Confident161 Ų161112 Ų11261%0.60850%0.503SS*.Hα-helixtrans-77.4-48.4166.6-173.4-171.5-76128.8-10.7110.2K646 A647 I648 R652 R653 Q654K646-R650 VanDerWaalsContact O-CB 3.26Å; K646-R650 WeakPolarHBondContact O-CB 3.39Å; K646-R650 PolarHBondContact O-N 3.18Å; A647-R650 PolarHBondContact O-N 2.7Å; A647-R650 VanDerWaalsContact O-N 3.12Å; I648-R650 VanDerWaalsContact C-N 3.28Å; I648-R650 PolarHBondContact O-N 3.16Å; R650-R652 VanDerWaalsContact C-N 3.35Å; R650-R652 PolarHBondContact O-N 2.86Å; R650-R653 WeakPolarHBondContact O-CB 3.38Å; R650-R653 PolarHBondContact O-N 3.41Å; R650-Q654 PolarHBondContact O-N 3.02Å
651N90.7Very high83.1Confident83 Ų83117.4 Ų117.444%0.44453%0.532SS..Hα-helixtrans-58.6-46.1179.4-157.346.3000111.3A647 I648 R653 Q654 E655A647-N651 PolarHBondContact O-N 3.39Å; I648-N651 PolarHBondContact O-N 2.87Å; N651-R653 PolarHBondContact O-N 3.12Å; N651-R653 VanDerWaalsContact O-N 3.16Å; N651-Q654 CarbonylContact O-C 3.52Å; N651-Q654 WeakPolarHBondContact O-CA 3.44Å; N651-Q654 WeakPolarHBondContact O-CB 3.37Å; N651-Q654 PolarHBondContact O-N 2.89Å; N651-E655 PolarHBondContact ND2-OE1 3.15Å; N651-E655 WeakPolarHBondContact O-CG 3.14Å; N651-E655 PolarHBondContact O-N 3.08Å
652R89.8Confident81.7Confident132 Ų132114.9 Ų114.950%0.49854%0.535SS..Hα-helixtrans-60.2-27.3176.3-173.2172.9-72-167.91.9114I648 R650 E655 M656I648-R652 WeakPolarHBondContact O-CB 3.36Å; I648-R652 PolarHBondContact O-N 3.3Å; R650-R652 VanDerWaalsContact C-N 3.35Å; R650-R652 PolarHBondContact O-N 2.86Å; R652-E655 WeakPolarHBondContact CA-OE2 3.37Å; R652-M656 WeakPolarHBondContact O-CB 3.43Å; R652-M656 WeakPolarHBondContact O-CG 3.4Å; R652-M656 PolarHBondContact O-N 3.02Å
653R88.9Confident80Confident194 Ų194114.3 Ų114.373%0.73255%0.548SS*.Hα-helixtrans-76.9-33.6170.7-71.5176.7-176.1-159.6-0.6112.3M649 R650 N651 R657M649-R653 WeakPolarHBondContact O-CG 3.26Å; R650-R653 WeakPolarHBondContact O-CB 3.38Å; R650-R653 PolarHBondContact O-N 3.41Å; N651-R653 PolarHBondContact O-N 3.12Å; N651-R653 VanDerWaalsContact O-N 3.16Å; R653-R657 WeakPolarHBondContact O-CG 3.41Å; R653-R657 PolarHBondContact O-N 3.06Å; R653-R657 VanDerWaalsContact O-N 3.08Å
654Q90.1Very high78.1Confident99 Ų99121 Ų12146%0.46357%0.566SS.*Hα-helixtrans-72.4-45.1176.5-67.4171.5-73.400110.8R650 N651 M656 R657 Q658R650-Q654 PolarHBondContact O-N 3.02Å; N651-Q654 CarbonylContact O-C 3.52Å; N651-Q654 WeakPolarHBondContact O-CA 3.44Å; N651-Q654 WeakPolarHBondContact O-CB 3.37Å; N651-Q654 PolarHBondContact O-N 2.89Å; Q654-M656 PolarHBondContact O-N 3.48Å; Q654-R657 PolarHBondContact O-N 2.77Å; Q654-R657 VanDerWaalsContact O-N 3.15Å; Q654-Q658 PolarHBondContact O-N 2.95Å
655E85.5Confident75.6Confident78 Ų78126.8 Ų126.836%0.36459%0.594SS.*Hα-helixtrans-52.2-52.8169.1-69.7162.9-175.100110.7N651 R652 R657 Q658 Y659N651-E655 PolarHBondContact ND2-OE1 3.15Å; N651-E655 WeakPolarHBondContact O-CG 3.14Å; N651-E655 PolarHBondContact O-N 3.08Å; R652-E655 WeakPolarHBondContact CA-OE2 3.37Å; E655-R657 VanDerWaalsContact C-N 3.31Å; E655-R657 PolarHBondContact O-N 2.85Å; E655-Q658 PolarHBondContact O-N 3.32Å; E655-Y659 HydrophobicContact CB-CE2 4.46Å; E655-Y659 WeakPolarHBondContact O-CD2 3.48Å; E655-Y659 PolarHBondContact O-N 3.32Å
656M78.3Confident73.3Confident121 Ų121127.6 Ų127.660%0.59662%0.617SS**Hα-helixtrans-60.5-33.8177-84.9-76.2170.900114.1R652 Q654 F660R652-M656 WeakPolarHBondContact O-CB 3.43Å; R652-M656 WeakPolarHBondContact O-CG 3.4Å; R652-M656 PolarHBondContact O-N 3.02Å; Q654-M656 PolarHBondContact O-N 3.48Å; M656-F660 PolarHBondContact O-N 3.44Å
657R81.6Confident71.1Confident197 Ų197129.5 Ų129.574%0.74363%0.628SS**Hα-helixtrans-72-36.3172-78.2-174170.8-146.7-4.6112.3R653 Q654 E655 F660 N661R653-R657 WeakPolarHBondContact O-CG 3.41Å; R653-R657 PolarHBondContact O-N 3.06Å; R653-R657 VanDerWaalsContact O-N 3.08Å; Q654-R657 PolarHBondContact O-N 2.77Å; Q654-R657 VanDerWaalsContact O-N 3.15Å; E655-R657 VanDerWaalsContact C-N 3.31Å; E655-R657 PolarHBondContact O-N 2.85Å; R657-F660 PolarHBondContact O-N 3.31Å; R657-N661 PolarHBondContact O-N 2.89Å; R657-N661 VanDerWaalsContact O-N 3.08Å; R657-N661 PolarHBondContact O-OD1 3.08Å
658Q76.6Confident68.9Low134 Ų134133.6 Ų133.663%0.62664%0.642SS**Hα-helixtrans-67.2-38.8174.8-74-175.5-6.500112Q654 E655 F660 N661 V662Q654-Q658 PolarHBondContact O-N 2.95Å; E655-Q658 PolarHBondContact O-N 3.32Å; Q658-F660 PolarHBondContact O-N 2.89Å; Q658-N661 PolarHBondContact O-N 3.39Å; Q658-N661 VanDerWaalsContact O-N 3.15Å; Q658-V662 WeakPolarHBondContact O-CB 3.23Å; Q658-V662 VanDerWaalsContact O-CG2 3.23Å; Q658-V662 WeakPolarHBondContact O-CG2 3.39Å; Q658-V662 PolarHBondContact O-N 3.15Å
659Y64.5Low66.4Low177 Ų177136.3 Ų136.369%0.69466%0.664SS**Hα-helixtrans-60.6-32.5173.7-76.9-65.1000113.1E655E655-Y659 HydrophobicContact CB-CE2 4.46Å; E655-Y659 WeakPolarHBondContact O-CD2 3.48Å; E655-Y659 PolarHBondContact O-N 3.32Å
660F59.4Low64.5Low179 Ų179140.7 Ų140.779%0.78569%0.687SS**Hα-helixtrans-71.3-43.9171.1-102.2-92.9000112.6M656 R657 Q658 V662 G663M656-F660 PolarHBondContact O-N 3.44Å; R657-F660 PolarHBondContact O-N 3.31Å; Q658-F660 PolarHBondContact O-N 2.89Å; F660-V662 PolarHBondContact O-N 3.39Å; F660-G663 PolarHBondContact O-N 3.46Å
661N61.3Low61.9Low138 Ų138137.2 Ų137.274%0.73869%0.693SS**Hα-helixtrans-71.8-23.5-179.8-79.643.2000114.4R657 Q658 G663R657-N661 PolarHBondContact O-N 2.89Å; R657-N661 VanDerWaalsContact O-N 3.08Å; R657-N661 PolarHBondContact O-OD1 3.08Å; Q658-N661 PolarHBondContact O-N 3.39Å; Q658-N661 VanDerWaalsContact O-N 3.15Å; N661-G663 VanDerWaalsContact C-N 3.27Å; N661-G663 PolarHBondContact O-N 3.47Å
662V55.6Low59.6Low115 Ų115140.5 Ų140.570%0.69772%0.716SS**G310 helixtrans-81.3-5.1-179.2171.60000112.4Q658 F660 Q664Q658-V662 WeakPolarHBondContact O-CB 3.23Å; Q658-V662 VanDerWaalsContact O-CG2 3.23Å; Q658-V662 WeakPolarHBondContact O-CG2 3.39Å; Q658-V662 PolarHBondContact O-N 3.15Å; F660-V662 PolarHBondContact O-N 3.39Å; V662-Q664 PolarHBondContact O-N 3.45Å
663G47.3Very low57.3Low64 Ų64139.1 Ų139.166%0.6673%0.733SS**G310 helixtrans-75-9.4179.700000116.8F660 N661F660-G663 PolarHBondContact O-N 3.46Å; N661-G663 VanDerWaalsContact C-N 3.27Å; N661-G663 PolarHBondContact O-N 3.47Å
664Q46.8Very low55.2Low185 Ų185133.2 Ų133.286%0.86473%0.732SS**G310 helixtrans-115.67.8-169.4-74.1-171.4-1600116.3V662V662-Q664 PolarHBondContact O-N 3.45Å
665Q38.7Very low53.2Low192 Ų192135 Ų13590%0.89775%0.75SS**  trans-126.590.3175.3-75.5-165.9-20.700112.7
666A38.2Very low51.4Low97 Ų97137.1 Ų137.180%0.80277%0.768SS**  trans-150.255.6178.500000114.2
667Q42.2Very low49.8Very low182 Ų182142 Ų14285%0.8578%0.781SS**  trans-136.1109.8161.9-95.7-167.46.700114
668I46.4Very low48.2Very low137 Ų137137.6 Ų137.670%0.70378%0.778SS**  trans38.9116.5146.554.6170000121.4
669P36.2Very low46.5Very low132 Ų132135 Ų13586%0.85779%0.787SS**  trans-91.3128.316334.6-29.5000112.1
670I44.7Very low45.4Very low157 Ų157130.8 Ų130.881%0.80579%0.789SS**  trans-134.5136.2167-62.1-178000108.7
671A36.7Very low44.6Very low89 Ų89130.3 Ų130.374%0.73679%0.793SS**  trans-101.7152.5-178.100000112.6
672T42.8Very low43.7Very low151 Ų151128 Ų12893%0.92679%0.793SS**  trans-164.1152.1148.2-80.70000110
673A41.8Very low43.1Very low103 Ų103131 Ų13185%0.85180%0.802SS**  trans-83.6163.9-164.800000116.1
674G44.6Very low42.7Very low70 Ų70133 Ų13372%0.72281%0.812SS**  trans174.597165.100000117.4
675V48.9Very low42.3Very low138 Ų138127.8 Ų127.884%0.83681%0.807SS**  trans2898.2145.4-164.10000117.8
676V47.6Very low42.5Very low121 Ų121126.8 Ų126.873%0.73381%0.805SS**  62.1105.784.2-179.60000116.6
677Y43.5Very low42.7Very low224 Ų224128.2 Ų128.288%0.87881%0.806SS**  -159.3138.6119.6-148.4-90.4000112.1
678P49.5Very low42.6Very low104 Ų104124.7 Ų124.768%0.67580%0.802SS**  trans-117.9156.6-177.440-31.3000116.3
679G40.2Very low42.7Very low79 Ų79123.5 Ų123.581%0.81480%0.803SS**  trans103.9160.1160.200000116.8
680A40.3Very low42.8Very low90 Ų90124.9 Ų124.974%0.74480%0.798SS**  cis-171.1178.5-10.200000112
681I44.3Very low42.8Very low168 Ų168124.4 Ų124.486%0.86280%0.796SS**  trans79.2153.7159.3-29.9-177.2000117.8
682A42.1Very low43.3Very low89 Ų89125.3 Ų125.374%0.73679%0.794SS**  trans74106.3176.200000115.8
683M42Very low43.7Very low179 Ų179123.1 Ų123.188%0.88279%0.785SS**  cis84.7108.727.2-55.6-73.4-10400116.7
684A39.4Very low43.8Very low107 Ų107124.9 Ų124.988%0.88478%0.776SS**  trans43.6127.1142.900000121.7
685G38.5Very low43.9Very low74 Ų74128.7 Ų128.776%0.76377%0.774SS**  trans167.4111.6160.100000116.1
686M42.5Very low43.5Very low172 Ų172127.3 Ų127.385%0.84777%0.771SS**  trans-89.8159.7149.443.3-121.856.700108.2
687P41.8Very low43.4Very low126 Ų126126.3 Ų126.382%0.81877%0.769SS**  cis-142.9-163.329.543.2-22.1000116.4
688S40.9Very low43.3Very low109 Ų109121.8 Ų121.876%0.76277%0.765SS**  trans-63.1154.8169.5-159.10000112.9
689P49.1Very low42.8Very low112 Ų112121.8 Ų121.873%0.72777%0.767SS**  -157.9-173.681.643.2-22.4000118.7
690H38.7Very low42.8Very low161 Ų161122.8 Ų122.875%0.74576%0.762SS**  trans90.399.1151.7-92.5-37.1000123.1
691L44.2Very low42.6Very low146 Ų146123.5 Ų123.576%0.76476%0.761SS**  41159.7105.4-60.8-171.2000121.4
692P47.5Very low42.7Very low108 Ų108121.2 Ų121.270%0.70176%0.757SS**  cis-136.2-174.314.243.6-26.8000117.9
693S49.5Very low42.7Very low106 Ų106125 Ų12574%0.74176%0.76SS**  trans83.9144.9153.5-62.40000118.4
694E45.2Very low42.7Very low139 Ų139122.3 Ų122.365%0.6576%0.756SS**  cis-161.5173.6-17-122.9-64.3-108.800111.6
695H46.7Very low42.6Very low150 Ų150120.3 Ų120.369%0.69475%0.746SS**  trans6591.9163.4-51.7-25.1000115.7
696S41Very low42.6Very low109 Ų109124.8 Ų124.876%0.76275%0.749SS**  69.3138.389.1-85.30000115.8
697S44Very low42.6Very low101 Ų101121.9 Ų121.971%0.70674%0.742SS**  cis-175.6162.9-2.9-100.60000107.1
698V42.5Very low42.3Very low128 Ų128121.4 Ų121.478%0.77674%0.737SS**  cis-152.4152.98-110.60000107.9
699S39.7Very low42.1Very low105 Ų105123 Ų12373%0.73474%0.736SS**  54130.181.7-156.50000115.2
700S38.9Very low41.4Very low100 Ų100126.1 Ų126.170%0.69974%0.74SS**  cis-159.3154.4-0.9-96.50000108.8
701S37Very low41.2Very low105 Ų105122.8 Ų122.873%0.73474%0.735SS**  72.2139.452.7-164.70000114.5
702P46.1Very low41.1Very low119 Ų119122 Ų12277%0.77374%0.737SS**  cis-135.6-164.1-22.837.6-16.9000114.8
703E41.1Very low40.4Very low168 Ų168126 Ų12679%0.78574%0.739SS**  trans-60.2158.1174.8-138.6-152.811700114.8G705E703-G705 PolarHBondContact OE1-N 3.21Å
704P42Very low40Very low124 Ų124124.7 Ų124.781%0.80574%0.742SS**  -156.2158.382.940.2-20.8000118.9
705G37.3Very low39.8Very low65 Ų65125 Ų12567%0.6775%0.753SS**  trans108.7143.2132.700000121.9E703E703-G705 PolarHBondContact OE1-N 3.21Å
706M38.4Very low39.4Very low168 Ų168127.5 Ų127.583%0.82876%0.762SS**  trans-76.5171.6170.6-69.2-167.975.700112.6V708M706-V708 HydrophobicContact CE-CG2 4.47Å
707P44Very low39.2Very low110 Ų110125.7 Ų125.771%0.71476%0.76SS**  cis-146.9168.32242.9-22.2000120.3
708V34Very low38.9Very low116 Ų116130.7 Ų130.770%0.70377%0.773SS**  trans29.4129.1137.5-170.50000120.6M706M706-V708 HydrophobicContact CE-CG2 4.47Å
709I37.2Very low38.6Very low143 Ų143133.1 Ų133.173%0.73378%0.775SS**  176.7124.3124.7-92.9172.3000113.2
710Q34.7Very low38.6Very low177 Ų177132.5 Ų132.583%0.82777%0.769SS**  trans43.2139.5144.6-55.7175.26.400125.2
711S33.7Very low38.4Very low92 Ų92136.3 Ų136.364%0.64378%0.775SS**  trans-39.6152.2163.1-36.40000118.6
712T43.2Very low38.4Very low129 Ų129137.5 Ų137.579%0.79177%0.772SS**  -151.8174.8121-158.50000111.5
713Y33.5Very low38Very low192 Ų192138.7 Ų138.775%0.75377%0.765SS**  trans-126140.5-165.9-13.7-93.1000110
714G39.2Very low37.7Very low78 Ų78137.3 Ų137.380%0.80476%0.759SS**  trans-153.1128.3178.200000111.5
715V40.9Very low37.3Very low145 Ų145139.2 Ų139.288%0.87976%0.757SS**  trans-125.4144-172.4177.70000109.3
716K39.2Very low37.3Very low204 Ų204142.4 Ų142.489%0.88776%0.758SS**  trans142.5130131-172.1175.6-176.5-177.60115
717G37.3Very low36.9Very low70 Ų70143.4 Ų143.472%0.72276%0.76SS**  trans84.8148.7168.300000114.8
718E37.1Very low36.4Very low206 Ų206141.3 Ų141.396%0.96375%0.752SS**  cis-156.2171.6-9.555.4-155.1128.600111.5
719E35.3Very low36.2Very low179 Ų179143.6 Ų143.684%0.83676%0.755SS**  trans-111-175.6-164.2-124.4-148.9130.100112.1
720P41.1Very low36.1Very low93 Ų93144.1 Ų144.160%0.60476%0.759SS**  -126.9-177.5-55.934-16.3000112.8
721H33.6Very low36.5Very low179 Ų179143.3 Ų143.383%0.82976%0.759SS**  -175.8168.5117.6-151.947.1000112.4
722I37Very low36.3Very low131 Ų131146.3 Ų146.367%0.67277%0.768SS**  trans-137.3144.8-160.9-56.7165.6000111.6
723K38.6Very low35.8Very low143 Ų143143 Ų14362%0.62276%0.76SS**  trans-170.4140.6144.4-91.7-149.8169-141.60109.2
724E33.7Very low36Very low140 Ų140142 Ų14265%0.65476%0.762SS**  60.813968.9-55.5179144.600111.7
725E34.4Very low36.2Very low163 Ų163146 Ų14676%0.76276%0.763SS**  cis-156.4168.626.9-159.8172.914300114.4
726I36.8Very low36.2Very low133 Ų133146.7 Ų146.768%0.68275%0.751SS**  trans-37.6133.8-178.9-53.1153.2000120.2
727Q30.6Very low36.4Very low188 Ų188145.6 Ų145.688%0.87976%0.755SS**  trans167170134-96.9154.9104.600110.5
728A32.9Very low36.7Very low66 Ų66148.4 Ų148.455%0.54575%0.749SS.*  cis-177.3158.1-42.800000108.8
729E31Very low37Very low165 Ų165149 Ų14977%0.77174%0.744SS**  trans65.6145.2166.7-38.8-44.8151.800122.3
730D33.7Very low38Very low153 Ų153147.7 Ų147.782%0.81874%0.743SS**  trans70.4166.9150-70.2-29.8000124.4
731I43.6Very low38.1Very low161 Ų161152.5 Ų152.583%0.82676%0.757SS**  trans69.580.8164.7-14.5178.2000120.9
732N29.9Very low39.1Very low155 Ų155152.7 Ų152.783%0.82976%0.759SS**  14.7134.1121.9-166.781.5000121.3
733G32.6Very low39.8Very low60 Ų60155.3 Ų155.362%0.61977%0.768SS**  trans127.799.7166.900000112.1
734E37.1Very low40.4Very low170 Ų170155.4 Ų155.479%0.79478%0.775SS**  59107.378.8-68-169.8173.100115.3
735I42.9Very low41.5Very low162 Ų162155.4 Ų155.483%0.83178%0.78SS**  trans-152.1141.2135.1-15772.2000110.9
736Y41.3Very low42.2Very low159 Ų159152.6 Ų152.662%0.62478%0.776SS**  trans-62.4156.5-162.8-70.2-105.1000118.8E738Y736-E738 HydrophobicContact CD1-CB 3.8Å; Y736-E738 WeakPolarHBondContact CD1-OE2 3.26Å; Y736-E738 VanDerWaalsContact CE1-OE2 3.26Å; Y736-E738 WeakPolarHBondContact CE1-OE2 3.45Å
737D44.8Very low42.9Very low182 Ų182154 Ų15497%0.97379%0.785SS**  trans-135.190.7143.9-118.2-21.9000106.1
738E41.9Very low43.8Very low128 Ų128151.5 Ų151.560%0.59878%0.782SS**  trans-139.8137.4-174.6-179.7179.7141.900110.9Y736Y736-E738 HydrophobicContact CD1-CB 3.8Å; Y736-E738 WeakPolarHBondContact CD1-OE2 3.26Å; Y736-E738 VanDerWaalsContact CE1-OE2 3.26Å; Y736-E738 WeakPolarHBondContact CE1-OE2 3.45Å
739Y44.7Very low44.8Very low219 Ų219156.4 Ų156.486%0.85980%0.799SS**  trans-153.7147.5160.6-86.5-69.8000110.9
740D56.3Low45.4Very low152 Ų152159.3 Ų159.381%0.81380%0.804SS**  trans72.569.3164.5-54.3-5.5000119
741E42.5Very low45.8Very low194 Ų194155.7 Ų155.791%0.90780%0.803SS**  trans-110.3141.3133.5-72.7-165.1159.300109.2
742E55.4Low45.9Very low183 Ų183153.2 Ų153.286%0.85580%0.8SS**  trans-127.5130.7169.2-80.8-17515700109.3
743E50.4Low46.2Very low186 Ų186154.1 Ų154.187%0.86981%0.805SS**  trans26.2138.9138.5-59.4-179.4159.600119.8
744D51.7Low46.8Very low145 Ų145155.4 Ų155.478%0.77580%0.804SS**  cis-152.5-154.3-4.5-154.17.5000107
745D57.8Low47Very low140 Ų140155 Ų15575%0.74980%0.802SS**  cis-156.7125.711.2147.439.5000106.6
746P49.4Very low47Very low104 Ų104153.4 Ų153.468%0.67580%0.795SS**  trans-105.2133.7-173.936.8-30.1000114.6
747D51Low47.1Very low162 Ų162153.4 Ų153.487%0.86680%0.801SS**  trans-144.1145.6154.7-136.5-19.3000112
748V48.9Very low47.1Very low136 Ų136151.5 Ų151.582%0.82479%0.789SS**  trans-132.9126.8-173.6-74.40000111.4
749D54.1Low47.1Very low168 Ų168150.5 Ų150.590%0.89880%0.803SS**  trans-145.9159.9162-150.9-7.5000112.3
750Y42.5Very low47.3Very low227 Ų227144 Ų14489%0.8980%0.802SS**  trans-130100.3-151-158.5-87.7000110.8
751G43.1Very low46.8Very low76 Ų76146 Ų14678%0.78481%0.807SS**  trans-13759.7-158.800000117.9
752S44.7Very low46.9Very low109 Ų109141.5 Ų141.576%0.76280%0.802SS**  trans20.799.7153.1-176.50000119.3
753D37.3Very low46.2Very low175 Ų175144.1 Ų144.194%0.93682%0.823SS**  trans-80.8132.3163-117.2-27.4000111.1
754S45.2Very low46Very low87 Ų87142.1 Ų142.161%0.60882%0.82SS**  trans-149.5143.3177.662.40000113.5
755E42.1Very low45.7Very low161 Ų161141.9 Ų141.975%0.75282%0.823SS**  trans70.4110.4178.9-63.2179.968.500115.1
756N41.5Very low45Very low128 Ų128142 Ų14268%0.68483%0.827SS**  66112.570.3-69.3-44.8000114
757H44.3Very low44.7Very low159 Ų159144.2 Ų144.274%0.73684%0.836SS**  -176.4113.8115.7-91.5-64.9000107.5
758I44.4Very low44.4Very low143 Ų143143.1 Ų143.173%0.73383%0.834SS**  57.794.478.5-58174.7000112.5
759A42.6Very low44.1Very low106 Ų106143.6 Ų143.688%0.87683%0.834SS**  trans177.3133.8130.200000110.1
760G47.6Very low43.3Very low82 Ų82141.9 Ų141.985%0.84583%0.83SS**  trans-177.246.1-176.900000114.2
761Q46.9Very low43.4Very low195 Ų195135.3 Ų135.391%0.91183%0.825SS**  trans-85.2133.9173.9-80.1-170.8-14.300111.9
762A44.9Very low43.4Very low99 Ų99140.3 Ų140.382%0.81883%0.828SS**  trans4997.2149.600000119
763N39.6Very low43.3Very low239 Ų239143.1 Ų143.1100%1.27883%0.834SS**  -152.80104.7-153.520.7000110.4

Retrieved 763 of 763 residues in 367.7 ms (Link to these results)