A0A077ZCZ9_TRITR Loading...

Zf-C4 and Hormone recep domain containing protein

AlphaFold DB , UniProt , Accession A0A077ZCZ9, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 408 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M34.5Very low29.1Very low238 Ų238138.9 Ų138.9100%1.17283%0.83SS**  0133.80-70.6169-176.500108.2
2V39.9Very low29.1Very low151 Ų151135 Ų13592%0.91582%0.824SS**  trans51.695.6174.1-153.80000116.7
3G24.6Very low29Very low64 Ų64133.5 Ų133.566%0.6682%0.818SS**  trans-105-162.3154.900000110.8
4M25.7Very low28.8Very low188 Ų188135.4 Ų135.493%0.92682%0.82SS**  trans83.4151.4-177.6-62.4-157.1134.600116.8
5P29.4Very low28.9Very low87 Ų87137.1 Ų137.157%0.56582%0.822SS**  -137.2174-52.137.7-21.7000113.2Y7P5-Y7 HydrophobicContact CG-CD2 3.91Å; P5-Y7 HydrophobicContact CG-CE2 3.78Å
6I26.7Very low28.8Very low161 Ų161139.1 Ų139.183%0.82682%0.817SS**  trans-69.8125.2162-64.4163.7000107.9
7Y29.8Very low29Very low195 Ų195142 Ų14277%0.76582%0.821SS**  trans-103.4105.4168.2-101.7-82000110.9P5 A9P5-Y7 HydrophobicContact CG-CD2 3.91Å; P5-Y7 HydrophobicContact CG-CE2 3.78Å; Y7-A9 HydrophobicContact CD1-CB 4.16Å
8L25.5Very low28.8Very low172 Ų172141.7 Ų141.790%0.90181%0.814SS**  trans-81.2107.7149.9-94.2149.5000106.8
9A29.3Very low28.8Very low86 Ų86142.9 Ų142.971%0.71181%0.814SS**  trans-152.4135.2169.500000108.3Y7Y7-A9 HydrophobicContact CD1-CB 4.16Å
10G27.1Very low28.9Very low74 Ų74140.8 Ų140.876%0.76381%0.808SS**  cis-164.4147.7-10.100000109.8A12G10-A12 PolarHBondContact O-N 3.35Å
11A27.2Very low28.7Very low112 Ų112138.3 Ų138.393%0.92681%0.805SS**PPolyproline II helixtrans-70.6119.3165.800000108.4
12A29.2Very low28.6Very low92 Ų92132 Ų13276%0.7678%0.781SS**PPolyproline II helixtrans-92148.7165.800000109.2G10G10-A12 PolarHBondContact O-N 3.35Å
13P28.2Very low28Very low115 Ų115134.4 Ų134.475%0.74778%0.78SS**PPolyproline II helixtrans-86152.2-143.431.2-36.8000115.5N15P13-N15 PolarHBondContact O-N 3.43Å
14L26.3Very low28.2Very low160 Ų160135.5 Ų135.584%0.83878%0.783SS**  trans-59.9109.2160.6-154.694.7000109
15N30.5Very low28.5Very low161 Ų161132.6 Ų132.686%0.86178%0.778SS**  trans-90.2131.1170.1-130.710.5000109.5P13P13-N15 PolarHBondContact O-N 3.43Å
16K27.6Very low28.4Very low169 Ų169134.7 Ų134.774%0.73579%0.79SS**  trans-96.4115.6-172.5-68.3173.9176.2176.40111.1
17E30.7Very low28.6Very low189 Ų189135.8 Ų135.888%0.88379%0.791SS**  trans-128107.8144.3-67.8-170143.600106.1
18I26.7Very low28.3Very low136 Ų136131.4 Ų131.470%0.69779%0.789SS**  73.478.967.2-60.8163.2000110.7
19M28.1Very low28.6Very low166 Ų166132.9 Ų132.982%0.81879%0.789SS**  163.6133.8115.2-92.5157.270.900112.8
20S30.5Very low28.5Very low99 Ų99136.7 Ų136.769%0.69279%0.791SS**  trans24.2115.8155.846.80000119.5
21A25.9Very low28.7Very low90 Ų90138 Ų13874%0.74479%0.785SS**  62.8150.759.400000113.6
22P30.9Very low28.6Very low104 Ų104139.6 Ų139.668%0.67578%0.777SS**  cis-148.5-174.1-16.335.8-13.5000116.9
23F28.9Very low28.6Very low202 Ų202145.1 Ų145.189%0.88678%0.784SS**  trans65.1133.7150.6-69.4-59.7000122.6
24A28.4Very low28.4Very low88 Ų88146.5 Ų146.573%0.72779%0.785SS**  trans-80.6172.4160.100000111.1
25P30.6Very low28.6Very low127 Ų127147 Ų14783%0.82579%0.787SS**  -145.5172.597.138.3-22.9000116
26T27.3Very low28.4Very low131 Ų131146.7 Ų146.780%0.80478%0.78SS**  trans-72.3141.5171.3480000113.3
27E31.6Very low28.5Very low183 Ų183146.8 Ų146.886%0.85579%0.788SS**  trans-142145.6143.4-79.2-152.4156.200111.3
28S24.1Very low28.2Very low103 Ų103143 Ų14372%0.7278%0.778SS**  trans-104.9133.2-179.753.70000110.9
29F30.9Very low28.5Very low204 Ų204143.8 Ų143.890%0.89578%0.784SS**  trans-130.6152.5159.6-97.3-83.5000112.5
30H28.1Very low28.6Very low165 Ų165145 Ų14576%0.76479%0.785SS**  trans-111.7169.3-150.6-134-81.4000112.5
31T30.2Very low28.8Very low102 Ų102150.3 Ų150.363%0.62680%0.798SS**  trans71.1110.1153.851.90000121.5
32N25.2Very low28.8Very low145 Ų145154.2 Ų154.278%0.77580%0.801SS**  53.9118117.4-56.4-23.5000121
33K30.9Very low28.8Very low208 Ų208156.1 Ų156.190%0.90481%0.811SS**  -156.7134.8108.1-121.3174-179.8178.80113.3
34L23.9Very low28.7Very low145 Ų145151 Ų15176%0.75980%0.796SS**  trans-63.2152.8163.8-85.169000110.3
35L29.7Very low28.7Very low169 Ų169155 Ų15589%0.88580%0.799SS**  trans-148.1115.8134.1-107.3166.4000109.7
36H25.7Very low28.6Very low155 Ų155153.7 Ų153.772%0.71879%0.794SS**  trans-71.8136164.6-99.8-52.9000109
37L29.4Very low28.4Very low172 Ų172153.1 Ų153.190%0.90179%0.79SS**  trans-133.8123.3148.9-81.9172000108.5
38T26.3Very low28.3Very low110 Ų110153.6 Ų153.668%0.67579%0.792SS**  trans-106.6132.7176.148.40000108.8
39D32.6Very low28.3Very low151 Ų151154.5 Ų154.581%0.80779%0.793SS**  trans-160.8114.5149.5-83.3-43.4000105.4
40K29.1Very low28.1Very low193 Ų193151.4 Ų151.484%0.83979%0.791SS**  60.5102.575.6-75.1-169173.4-1740113.7
41E34.9Very low27.9Very low209 Ų209148.8 Ų148.898%0.97779%0.791SS**  -157.8155126.1-114.3173.3-179.700111.2
42E25.4Very low27.9Very low172 Ų172152.1 Ų152.180%0.80480%0.804SS**  trans-138124-158.5170-175.1-168.100109
43V31.1Very low27.9Very low145 Ų145149.4 Ų149.488%0.87980%0.796SS**  trans-140.3109.9167.4-178.40000111
44T26.5Very low27.7Very low94 Ų94147.1 Ų147.158%0.57779%0.789SS**  trans-52.6152.5163.258.50000111.5
45Q28.8Very low28Very low171 Ų171148.4 Ų148.480%0.79979%0.791SS**  172.9171.364.3-135.4162.3105.800105.8
46S28.4Very low27.8Very low101 Ų101145.3 Ų145.371%0.70678%0.784SS**  cis-144.7176.212.3-61.60000111.2
47T24.6Very low28Very low119 Ų119144.8 Ų144.873%0.7379%0.792SS**  trans-102.1149.4174.8-47.10000111V49T47-V49 HydrophobicContact CG2-CG1 4.45Å; T47-V49 HydrophobicContact CG2-CG2 4.32Å
48E28.3Very low28.2Very low193 Ų193141 Ų14190%0.90279%0.785SS**  trans-147.8137.5140.8-130174-168.700112.1
49V23.9Very low28.4Very low122 Ų122144.1 Ų144.174%0.73979%0.791SS**  trans-134.2126.1-174.9-85.60000109.2T47T47-V49 HydrophobicContact CG2-CG1 4.45Å; T47-V49 HydrophobicContact CG2-CG2 4.32Å
50V28Very low28.4Very low138 Ų138143.2 Ų143.284%0.83679%0.792SS**  trans-136.5104.8163.5-176.50000109.7
51S23.7Very low28.6Very low111 Ų111139.6 Ų139.678%0.77679%0.788SS**  trans-89.4135161.152.60000109.6
52L28.9Very low28.5Very low172 Ų172135.4 Ų135.490%0.90178%0.777SS**  trans-136.7151158.7-138.277.9000110.5
53S26Very low29.1Very low87 Ų87133.6 Ų133.661%0.60878%0.78SS**  trans-139.6152.4-155.162.10000112.7
54Q27Very low29Very low161 Ų161137.2 Ų137.275%0.75278%0.778SS**  trans71.7157164.4-55.6169.83200113.7
55Q29.9Very low29.5Very low171 Ų171140.9 Ų140.980%0.79979%0.792SS**  cis-154.2-177.218-139157.362.200111.9
56S26.2Very low29.8Very low105 Ų105139.2 Ų139.273%0.73479%0.788SS**  trans-95-178.6-158.5-53.90000118.3
57T28.9Very low29.9Very low144 Ų144140.5 Ų140.588%0.88378%0.783SS**  trans90.3145.6162.277.90000116.5
58A33.9Very low30.4Very low91 Ų91143 Ų14375%0.75279%0.79SS**  cis-146.2-177.310.400000114.3
59H29.9Very low30.7Very low177 Ų177143 Ų14382%0.81978%0.782SS**  trans-70.3171.2-173-56.3-84.1000114.6
60T32Very low30.9Very low132 Ų132143.7 Ų143.781%0.8178%0.781SS**  -169.5-170.959.2-21.60000111.5
61P34.4Very low31.3Very low117 Ų117143.4 Ų143.476%0.7678%0.78SS**  -124.8-178.9-117.943.5-25000119.3
62T33.6Very low31.7Very low121 Ų121148.7 Ų148.774%0.74278%0.783SS**  trans-63.8175.4-175.559.70000118.6
63P36.2Very low31.8Very low134 Ų134146.2 Ų146.287%0.8778%0.779SS**  -128176113.337.8-31.3000116.5
64R29.7Very low31.9Very low221 Ų221146.9 Ų146.983%0.83478%0.782SS**  trans-95.8159-155.1-57167.9175.8173.1-1.9116.4
65I37.4Very low32.5Very low170 Ų170147.6 Ų147.687%0.87279%0.789SS**  trans-129.6147.5144.4-64.7-175.4000109.9
66N34.3Very low32.6Very low136 Ų136146.6 Ų146.673%0.72779%0.789SS**  trans-77.9148.7-164.4-60.1-48.1000113.7
67H30.7Very low32.8Very low129 Ų129146.5 Ų146.560%0.59780%0.795SS**  cis97.886.233.4-161.517.9000115.4R69H67-R69 PolarHBondContact CE1-NE 2.73Å
68I36.6Very low32.7Very low170 Ų170143.7 Ų143.787%0.87280%0.795SS**  trans-144.490.4153.5-56.7-177.4000107.1
69R33Very low32.5Very low194 Ų194143.1 Ų143.173%0.73280%0.798SS**  62.191.787.9-74.2-167.9-176.8-177.80.2116.7H67H67-R69 PolarHBondContact CE1-NE 2.73Å
70N29.6Very low32.4Very low136 Ų136142.8 Ų142.873%0.72780%0.8SS**  trans-31135.4142.9173.615.3000114.6R72N70-R72 PolarHBondContact OD1-N 2.85Å
71T35Very low32.5Very low133 Ų133143.2 Ų143.282%0.81680%0.803SS**  trans-135.284.5153.436.20000111.7C73T71-C73 PolarHBondContact O-N 2.69Å
72R33.4Very low32.1Very low222 Ų222144.8 Ų144.884%0.83881%0.805SS**  trans-54.3123.3147179.1-173.9-70.7171.9-4.5107.7N70N70-R72 PolarHBondContact OD1-N 2.85Å
73C30.1Very low32.1Very low120 Ų120145.3 Ų145.381%0.81180%0.799SS**  trans-136.6135.5170.4-157.10000110.7T71T71-C73 PolarHBondContact O-N 2.69Å
74C27.7Very low32Very low100 Ų100148.2 Ų148.268%0.67679%0.792SS**  trans-94146.4-169.1-34.80000110.2
75I39.3Very low32Very low176 Ų176145.8 Ų145.890%0.90380%0.796SS**  trans-133.4139.4152.7-58.9-175.1000108.8
76N32.4Very low31.8Very low150 Ų150143.2 Ų143.280%0.80279%0.793SS**  trans-79.3169.3-162.5-71.8-28.1000115.5
77A29.9Very low32.1Very low104 Ų104143.4 Ų143.486%0.8679%0.794SS**  trans-59.5163.816800000114.7
78G27.2Very low33Very low84 Ų84142.4 Ų142.487%0.86680%0.798SS**  trans121.4114.7157.600000114.2
79G29.3Very low34Very low79 Ų79140.3 Ų140.381%0.81479%0.788SS**  trans140.171.1172.100000114.4T81G79-T81 PolarHBondContact O-N 3.3Å
80I29.3Very low36.2Very low171 Ų171133 Ų13388%0.87776%0.764SS**  trans-71.8115.6166.8-60.6167.5000108
81T33.3Very low39Very low141 Ų141132.2 Ų132.287%0.86576%0.757SS**  trans-158.3134.9141.218.90000111G79G79-T81 PolarHBondContact O-N 3.3Å
82N26.9Very low41.9Very low149 Ų149126 Ų12680%0.79772%0.719SS**  trans-54.1141.7177.7-166.78.9000113.3
83E32.1Very low44.8Very low133 Ų133117.3 Ų117.362%0.62169%0.694SS**  trans168.296.6145-88.7-84.6101.900112.1
84R34.1Very low48Very low194 Ų194111.6 Ų111.673%0.73266%0.656SS**  trans60.392.5147.3-51.3177.2-149-179.613.3120.5S86R84-S86 PolarHBondContact O-N 3.39Å
85N29.6Very low51.3Low170 Ų170107.1 Ų107.191%0.90963%0.626SS**  trans39.472142.5-65.93.4000118.9L87N85-L87 PolarHBondContact O-N 3.41Å
86S34.8Very low53.9Low117 Ų117100.6 Ų100.682%0.81860%0.602SS**  trans-89.992.9170.945.30000113.1R84R84-S86 PolarHBondContact O-N 3.39Å
87L39.8Very low56.9Low140 Ų14094.5 Ų94.573%0.73357%0.569SS**  trans-56145.4161-88152.8000110.4N85 L89N85-L87 PolarHBondContact O-N 3.41Å; L87-L89 PolarHBondContact O-N 2.97Å
88P49.3Very low59.7Low107 Ų10792 Ų9270%0.69555%0.548SS*.  trans-60102.3175.8-23.134000111.3L90P88-L90 PolarHBondContact O-N 3.08Å
89L57.8Low62.6Low126 Ų12688.5 Ų88.566%0.6651%0.511SS*.  trans-60102.2-179.2-75.6156.2000110.1L87 M91L87-L89 PolarHBondContact O-N 2.97Å; L89-M91 WeakPolarHBondContact O-CG 3.12Å; L89-M91 PolarHBondContact O-N 2.92Å
90L78.3Confident65Low41 Ų4186.7 Ų86.722%0.21549%0.486CS..  trans-56.3117.8171.3-88179.7000108.8P88 S99 L107 M169P88-L90 PolarHBondContact O-N 3.08Å; L90-S99 WeakPolarHBondContact O-CA 3.07Å; L90-S99 WeakPolarHBondContact O-CB 3.39Å; L90-S99 PolarHBondContact O-N 3.46Å; L90-L107 HydrophobicContact CD1-CD2 4.06Å; L90-L107 HydrophobicContact CD2-CD1 3.88Å; L90-L107 HydrophobicContact CD2-CD2 4.35Å; L90-M169 HydrophobicContact CB-CE 3.84Å; L90-M169 HydrophobicContact CB-SD 4.04Å; L90-M169 HydrophobicContact CD1-CE 3.85Å; L90-M169 HydrophobicContact CD1-CG 3.76Å; L90-M169 HydrophobicContact CD1-SD 3.51Å; L90-M169 VanDerWaalsContact CD1-SD 3.51Å; L90-M169 HydrophobicContact CG-CE 4.16Å; L90-M169 HydrophobicContact CG-SD 3.75Å
91M90.5Very high67.3Low119 Ų11978.5 Ų78.559%0.58644%0.444SS*.BIsolated β-bridgetrans-93.7143.8-174.8-69.6-165.8173.600112.2L89 A93L89-M91 WeakPolarHBondContact O-CG 3.12Å; L89-M91 PolarHBondContact O-N 2.92Å; M91-A93 PolarHBondContact O-N 2.71Å
92C95.6Very high69.6Low3 Ų376.1 Ų76.12%0.0242%0.421CS..  trans-65.9115.1173.1174.40000110.4V94 C95 G96 D97 C109C92-V94 PolarHBondContact O-N 2.77Å; C92-C95 PolarHBondContact O-N 2.85Å; C92-C95 VanDerWaalsContact SG-SG 3.64Å; C92-G96 PolarHBondContact O-N 3.26Å; C92-D97 WeakPolarHBondContact CB-O 3.15Å; C92-D97 PolarHBondContact N-O 3.27Å; C92-C109 HydrophobicContact CB-CB 3.9Å; C92-C109 PolarHBondContact SG-N 3.05Å; C92-C109 VanDerWaalsContact SG-N 3.41Å; C92-C109 VanDerWaalsContact SG-SG 3.61Å
93A94.2Very high72.4Confident39 Ų3969.3 Ų69.332%0.32239%0.385SS..THydrogen-bonded Turntrans-54.5-24.1178.900000113.7M91 I106 L107 M156M91-A93 PolarHBondContact O-N 2.71Å; A93-I106 HydrophobicContact CB-CD1 4.34Å; A93-L107 PolarHBondContact N-O 2.89Å; A93-M156 HydrophobicContact CB-CB 4.45Å; A93-M156 HydrophobicContact CB-CE 3.96Å; A93-M156 HydrophobicContact CB-CG 4.48Å
94V96.7Very high75.1Confident0 Ų064.4 Ų64.40%036%0.361CS..THydrogen-bonded Turntrans-81.9-37.6177.5-174.90000113.2C92 I106 C112 V137 R149 K152 M158C92-V94 PolarHBondContact O-N 2.77Å; V94-I106 HydrophobicContact CG2-CD1 3.91Å; V94-C112 HydrophobicContact CB-CB 4.32Å; V94-V137 HydrophobicContact CG1-CG1 4.12Å; V94-V137 WeakPolarHBondContact O-CG1 3.3Å; V94-R149 HydrophobicContact CG1-CG 4.46Å; V94-K152 HydrophobicContact CG1-CB 4.36Å; V94-K152 HydrophobicContact CG1-CD 4.41Å; V94-K152 HydrophobicContact CG1-CG 4.31Å; V94-K152 WeakPolarHBondContact O-CD 3.25Å; V94-K152 WeakPolarHBondContact O-CE 3.08Å; V94-K152 PolarHBondContact O-NZ 2.97Å; V94-M158 HydrophobicContact CG2-CE 4.36Å
95C97.4Very high77.4Confident6 Ų657.2 Ų57.24%0.04135%0.347CS..THydrogen-bonded Turntrans-1432.2-16970.20000116.7C92 D97 C112 V137 D138 K139 R142C92-C95 PolarHBondContact O-N 2.85Å; C92-C95 VanDerWaalsContact SG-SG 3.64Å; C95-D97 PolarHBondContact O-N 2.91Å; C95-D97 VanDerWaalsContact O-N 3.11Å; C95-C112 VanDerWaalsContact SG-SG 3.64Å; C95-V137 HydrophobicContact CB-CG1 4.09Å; C95-D138 CarbonylContact O-C 3.17Å; C95-D138 VanDerWaalsContact O-CA 3.26Å; C95-D138 WeakPolarHBondContact O-CA 3.29Å; C95-K139 PolarHBondContact O-N 2.99Å; C95-R142 HydrophobicContact CB-CB 4.17Å; C95-R142 PolarHBondContact SG-NH1 2.88Å; C95-R142 VanDerWaalsContact SG-NH1 3.43Å
96G94.5Very high80.2Confident39 Ų3950 Ų5040%0.40231%0.308SS..SBendtrans72.9-8.6-179.200000115.7C92C92-G96 PolarHBondContact O-N 3.26Å
97D95Very high82.7Confident22 Ų2246.9 Ų46.912%0.11828%0.282CS..SBendtrans-65.6158.4171.9-165.819.3000111.7C92 C95 S99 C109 K139 R142C92-D97 WeakPolarHBondContact CB-O 3.15Å; C92-D97 PolarHBondContact N-O 3.27Å; C95-D97 PolarHBondContact O-N 2.91Å; C95-D97 VanDerWaalsContact O-N 3.11Å; D97-S99 PolarHBondContact O-N 3.39Å; D97-C109 HydrophobicContact CB-CB 4.15Å; D97-K139 HydrophobicContact CB-CB 4.09Å; D97-K139 HydrophobicContact CB-CD 4.12Å; D97-K139 HydrophobicContact CB-CG 3.92Å; D97-K139 VanDerWaalsContact OD1-CD 3.25Å; D97-K139 WeakPolarHBondContact OD1-CD 3.44Å; D97-K139 WeakPolarHBondContact OD1-CE 3.4Å; D97-K139 IonicContact OD1-NZ 2.73Å; D97-K139 PolarHBondContact OD1-NZ 2.94Å; D97-R142 IonicContact OD2-CZ 3.17Å; D97-R142 IonicContact OD2-NH1 2.7Å; D97-R142 PolarHBondContact OD2-NH1 2.75Å; D97-R142 IonicContact OD2-NH2 2.85Å; D97-R142 PolarHBondContact OD2-NH2 3.02Å
98A89.1Confident85.2Confident51 Ų5140.2 Ų40.242%0.42125%0.247SC..BIsolated β-bridgetrans-55.7126.8-178.300000111.8C109A98-C109 WeakPolarHBondContact O-CA 3.32Å; A98-C109 WeakPolarHBondContact O-CB 3.5Å
99S87.1Confident87.3Confident12 Ų1235.1 Ų35.18%0.08421%0.214CC..PPolyproline II helixtrans-84140.4177.8-168.40000110.5L90 D97 G101 A108L90-S99 WeakPolarHBondContact O-CA 3.07Å; L90-S99 WeakPolarHBondContact O-CB 3.39Å; L90-S99 PolarHBondContact O-N 3.46Å; D97-S99 PolarHBondContact O-N 3.39Å; S99-G101 PolarHBondContact OG-N 3.29Å; S99-G101 PolarHBondContact OG-O 2.77Å; S99-G101 VanDerWaalsContact OG-O 3.12Å; S99-A108 PolarHBondContact OG-N 3.45Å; S99-A108 PolarHBondContact OG-O 3.47Å; S99-A108 VanDerWaalsContact OG-O 3.13Å
100S78.7Confident89Confident40 Ų4034.7 Ų34.728%0.2821%0.212SC..  trans-99.9217252.20000113H103 A108 N110S100-H103 PolarHBondContact OG-NE2 2.88Å; S100-A108 PolarHBondContact N-O 3.11Å; S100-N110 WeakPolarHBondContact CB-OD1 3.28Å; S100-N110 PolarHBondContact OG-OD1 3.01Å
101G78.2Confident89.9Confident0 Ų034 Ų340%022%0.216CC..SBendtrans141.8-158.1177.600000113.3S99 H103 L107 A108S99-G101 PolarHBondContact OG-N 3.29Å; S99-G101 PolarHBondContact OG-O 2.77Å; S99-G101 VanDerWaalsContact OG-O 3.12Å; G101-H103 PolarHBondContact O-CD2 2.63Å; G101-L107 WeakPolarHBondContact O-CA 3.03Å; G101-A108 PolarHBondContact O-N 2.8Å; G101-A108 VanDerWaalsContact O-N 3.08Å
102K81.6Confident90.2Very high90 Ų9028.4 Ų28.439%0.39119%0.188SC..EExtended strand (participates in β ladder)trans-85.8117.3173.1-93174.2-177.7178.20110.2I106 L165 L167K102-I106 CarbonylContact C-O 3.45Å; K102-I106 VanDerWaalsContact CA-O 3.32Å; K102-I106 WeakPolarHBondContact CA-O 3.25Å; K102-L165 CarbonylContact C-O 3.52Å; K102-L165 WeakPolarHBondContact CA-O 3.46Å; K102-L165 HydrophobicContact CB-CB 4.22Å; K102-L165 WeakPolarHBondContact CB-O 3.35Å; K102-L165 PolarHBondContact N-O 3.41Å; K102-L165 CarbonylContact O-C 3.57Å; K102-L165 PolarHBondContact O-N 3.25Å; K102-L167 HydrophobicContact CB-CD1 4.11Å; K102-L167 HydrophobicContact CB-CG 4.06Å; K102-L167 HydrophobicContact CD-CD1 3.79Å; K102-L167 HydrophobicContact CD-CD2 4.4Å; K102-L167 HydrophobicContact CD-CG 4.22Å; K102-L167 HydrophobicContact CG-CD1 3.59Å; K102-L167 HydrophobicContact CG-CG 4.07Å
103H85.6Confident90.1Very high6 Ų628.8 Ų28.83%0.02819%0.191CC..EExtended strand (participates in β ladder)trans-117.1126.7170.7-57.8-100.9000108.6S100 G101 G105 I106 A108 S113S100-H103 PolarHBondContact OG-NE2 2.88Å; G101-H103 PolarHBondContact O-CD2 2.63Å; H103-G105 PolarHBondContact O-N 3.14Å; H103-I106 PolarHBondContact N-O 3.38Å; H103-I106 PolarHBondContact O-N 3.43Å; H103-A108 HydrophobicContact CB-CB 4.1Å; H103-A108 PolarHBondContact CD2-O 2.8Å; H103-S113 WeakPolarHBondContact CB-OG 3.47Å; H103-S113 VanDerWaalsContact CG-CB 3.43Å; H103-S113 VanDerWaalsContact CG-OG 3.29Å; H103-S113 WeakPolarHBondContact ND1-CB 3.42Å; H103-S113 PolarHBondContact ND1-OG 3.12Å
104Y88.3Confident90.2Very high31 Ų3127.8 Ų27.812%0.12219%0.185CC..THydrogen-bonded Turntrans58.831177.7-56.7-68.8000113.6F116 K117 M158 N159 G162Y104-F116 AromaticContact CD1-CD1 3.92Å; Y104-F116 HydrophobicContact CD1-CD1 3.92Å; Y104-F116 AromaticContact CD1-CE1 3.86Å; Y104-F116 HydrophobicContact CD1-CE1 3.86Å; Y104-F116 HydrophobicContact CD2-CB 4.4Å; Y104-F116 AromaticContact CD2-CD1 3.49Å; Y104-F116 HydrophobicContact CD2-CD1 3.49Å; Y104-F116 VanDerWaalsContact CD2-CD1 3.49Å; Y104-F116 HydrophobicContact CD2-CE1 4.19Å; Y104-F116 HydrophobicContact CD2-CG 4.32Å; Y104-F116 HydrophobicContact CE1-CD1 4.4Å; Y104-F116 HydrophobicContact CE2-CD1 4.02Å; Y104-F116 AromaticContact CG-CD1 3.44Å; Y104-F116 HydrophobicContact CG-CD1 3.44Å; Y104-F116 VanDerWaalsContact CG-CD1 3.44Å; Y104-F116 AromaticContact CG-CE1 3.65Å; Y104-F116 HydrophobicContact CG-CE1 3.65Å; Y104-K117 HydrophobicContact CE2-CB 4.17Å; Y104-K117 WeakPolarHBondContact OH-CB 3.26Å; Y104-K117 WeakPolarHBondContact OH-CD 3.42Å; Y104-K117 VanDerWaalsContact OH-CG 3.3Å; Y104-K117 WeakPolarHBondContact OH-CG 3.44Å; Y104-M158 CarbonylContact O-C 3.55Å; Y104-M158 VanDerWaalsContact O-CA 3.29Å; Y104-M158 WeakPolarHBondContact O-CA 3.18Å; Y104-N159 WeakPolarHBondContact CB-O 3.47Å; Y104-N159 WeakPolarHBondContact CD1-O 3.32Å; Y104-N159 PolarHBondContact O-N 2.89Å; Y104-G162 WeakPolarHBondContact CA-O 3.36Å; Y104-G162 WeakPolarHBondContact CD1-O 3.29Å
105G84Confident90.2Very high43 Ų4328.2 Ų28.244%0.44319%0.186SC..THydrogen-bonded Turntrans99.7-16.9-179.900000115.9H103H103-G105 PolarHBondContact O-N 3.14Å
106I87Confident90.1Very high18 Ų1828.1 Ų28.19%0.09219%0.185CC..EExtended strand (participates in β ladder)trans-130.7159.2-170.779.1170.1000113.5A93 V94 K102 H103 A108 M156 G157 M158A93-I106 HydrophobicContact CB-CD1 4.34Å; V94-I106 HydrophobicContact CG2-CD1 3.91Å; K102-I106 CarbonylContact C-O 3.45Å; K102-I106 VanDerWaalsContact CA-O 3.32Å; K102-I106 WeakPolarHBondContact CA-O 3.25Å; H103-I106 PolarHBondContact N-O 3.38Å; H103-I106 PolarHBondContact O-N 3.43Å; I106-A108 PolarHBondContact O-N 2.97Å; I106-M156 HydrophobicContact CD1-CB 3.58Å; I106-M156 WeakPolarHBondContact CG2-O 3.33Å; I106-G157 VanDerWaalsContact CG2-C 3.45Å; I106-M158 HydrophobicContact CD1-CE 4.04Å; I106-M158 HydrophobicContact CD1-CG 3.52Å; I106-M158 HydrophobicContact CD1-SD 4.42Å; I106-M158 HydrophobicContact CG1-CE 3.85Å; I106-M158 HydrophobicContact CG1-CG 3.62Å
107L88.5Confident90Very high51 Ų5132.1 Ų32.127%0.26719%0.192SC..EExtended strand (participates in β ladder)trans-62.3116.2172.6-72170000111.4L90 A93 G101 L167L90-L107 HydrophobicContact CD1-CD2 4.06Å; L90-L107 HydrophobicContact CD2-CD1 3.88Å; L90-L107 HydrophobicContact CD2-CD2 4.35Å; A93-L107 PolarHBondContact N-O 2.89Å; G101-L107 WeakPolarHBondContact O-CA 3.03Å; L107-L167 HydrophobicContact CD2-CD1 3.98Å
108A90.8Very high90Very high0 Ų037.3 Ų37.30%021%0.21CC..  trans-144146-177.400000114.6S99 S100 G101 H103 I106 M158S99-A108 PolarHBondContact OG-N 3.45Å; S99-A108 PolarHBondContact OG-O 3.47Å; S99-A108 VanDerWaalsContact OG-O 3.13Å; S100-A108 PolarHBondContact N-O 3.11Å; G101-A108 PolarHBondContact O-N 2.8Å; G101-A108 VanDerWaalsContact O-N 3.08Å; H103-A108 HydrophobicContact CB-CB 4.1Å; H103-A108 PolarHBondContact CD2-O 2.8Å; I106-A108 PolarHBondContact O-N 2.97Å; A108-M158 HydrophobicContact CB-CE 3.35Å
109C95.3Very high90.2Very high1 Ų135.1 Ų35.11%0.00719%0.191CC..  trans-72.4155.6166.764.30000110.8C92 D97 A98 G111 C112 S113 R142C92-C109 HydrophobicContact CB-CB 3.9Å; C92-C109 PolarHBondContact SG-N 3.05Å; C92-C109 VanDerWaalsContact SG-N 3.41Å; C92-C109 VanDerWaalsContact SG-SG 3.61Å; D97-C109 HydrophobicContact CB-CB 4.15Å; A98-C109 WeakPolarHBondContact O-CA 3.32Å; A98-C109 WeakPolarHBondContact O-CB 3.5Å; C109-G111 PolarHBondContact O-N 3.42Å; C109-G111 VanDerWaalsContact O-N 3.08Å; C109-C112 PolarHBondContact O-N 2.99Å; C109-C112 PolarHBondContact SG-N 3.08Å; C109-C112 VanDerWaalsContact SG-N 3.38Å; C109-C112 VanDerWaalsContact SG-SG 3.68Å; C109-S113 PolarHBondContact O-N 3.18Å; C109-R142 PolarHBondContact SG-NH1 2.94Å
110N93.2Very high90.3Very high116 Ų11637.2 Ų37.262%0.6220%0.203SC*.Hα-helixtrans-48.8-38174.1-67.4-17000112.6S100 G114S100-N110 WeakPolarHBondContact CB-OD1 3.28Å; S100-N110 PolarHBondContact OG-OD1 3.01Å; N110-G114 PolarHBondContact O-N 2.94Å
111G95.9Very high90.7Very high28 Ų2845.7 Ų45.729%0.28923%0.229SC..Hα-helixtrans-63.9-41.5178.700000114C109 F115 R149C109-G111 PolarHBondContact O-N 3.42Å; C109-G111 VanDerWaalsContact O-N 3.08Å; G111-F115 VanDerWaalsContact O-CB 3.25Å; G111-F115 WeakPolarHBondContact O-CB 3.48Å; G111-F115 PolarHBondContact O-N 3.08Å; G111-R149 VanDerWaalsContact C-NH2 3.27Å; G111-R149 PolarHBondContact O-NH2 3.2Å; G111-R149 VanDerWaalsContact O-NH2 3.08Å
112C97.4Very high91.2Very high0 Ų054.3 Ų54.30%026%0.261CS..Hα-helixtrans-79.4-38.3178-72.50000112.2V94 C95 C109 F115 F116 R149V94-C112 HydrophobicContact CB-CB 4.32Å; C95-C112 VanDerWaalsContact SG-SG 3.64Å; C109-C112 PolarHBondContact O-N 2.99Å; C109-C112 PolarHBondContact SG-N 3.08Å; C109-C112 VanDerWaalsContact SG-N 3.38Å; C109-C112 VanDerWaalsContact SG-SG 3.68Å; C112-F115 PolarHBondContact O-N 3.34Å; C112-F116 WeakPolarHBondContact O-CB 3.45Å; C112-F116 PolarHBondContact O-N 3.01Å; C112-R149 PolarHBondContact SG-NH2 3.01Å; C112-R149 VanDerWaalsContact SG-NH2 3.42Å
113S94Very high91.4Very high11 Ų1158.8 Ų58.88%0.07728%0.281CS..Hα-helixtrans-55.5-54.7171.6176.70000111.6H103 C109 F115 F116 K117H103-S113 WeakPolarHBondContact CB-OG 3.47Å; H103-S113 VanDerWaalsContact CG-CB 3.43Å; H103-S113 VanDerWaalsContact CG-OG 3.29Å; H103-S113 WeakPolarHBondContact ND1-CB 3.42Å; H103-S113 PolarHBondContact ND1-OG 3.12Å; C109-S113 PolarHBondContact O-N 3.18Å; S113-F115 VanDerWaalsContact C-N 3.31Å; S113-F115 PolarHBondContact O-N 2.96Å; S113-F116 PolarHBondContact O-N 3.5Å; S113-K117 WeakPolarHBondContact O-CB 3.44Å; S113-K117 PolarHBondContact O-N 3.39Å
114G94.9Very high91.6Very high19 Ų1961.6 Ų61.620%0.19630%0.296CS..Hα-helixtrans-63.6-33.717800000113.7N110 R118N110-G114 PolarHBondContact O-N 2.94Å; G114-R118 WeakPolarHBondContact O-CB 3.38Å; G114-R118 WeakPolarHBondContact O-CG 3.26Å; G114-R118 VanDerWaalsContact O-CZ 3.28Å; G114-R118 PolarHBondContact O-N 3.29Å; G114-R118 VanDerWaalsContact O-N 3.12Å; G114-R118 PolarHBondContact O-NH1 3.31Å
115F97.4Very high91.7Very high8 Ų867.5 Ų67.54%0.03533%0.328CS..Hα-helixtrans-65.5-48.1174.3170.8-96.3000111.8G111 C112 S113 R118 S119 Y126 Q146 R149 L150G111-F115 VanDerWaalsContact O-CB 3.25Å; G111-F115 WeakPolarHBondContact O-CB 3.48Å; G111-F115 PolarHBondContact O-N 3.08Å; C112-F115 PolarHBondContact O-N 3.34Å; S113-F115 VanDerWaalsContact C-N 3.31Å; S113-F115 PolarHBondContact O-N 2.96Å; F115-R118 PolarHBondContact O-N 3.46Å; F115-S119 WeakPolarHBondContact O-CB 3.49Å; F115-S119 PolarHBondContact O-N 3.37Å; F115-S119 PolarHBondContact O-OG 3.27Å; F115-Y126 AromaticContact CE2-CE2 3.98Å; F115-Y126 HydrophobicContact CE2-CE2 3.98Å; F115-Y126 HydrophobicContact CZ-CD2 4.35Å; F115-Y126 AromaticContact CZ-CE2 3.71Å; F115-Y126 HydrophobicContact CZ-CE2 3.71Å; F115-Q146 HydrophobicContact CE2-CB 4.1Å; F115-Q146 HydrophobicContact CE2-CG 4.15Å; F115-Q146 HydrophobicContact CZ-CB 4.23Å; F115-Q146 WeakPolarHBondContact CZ-O 3.43Å; F115-R149 VanDerWaalsContact CD1-CD 3.47Å; F115-R149 HydrophobicContact CD1-CG 3.93Å; F115-R149 HydrophobicContact CE1-CB 3.99Å; F115-R149 HydrophobicContact CE1-CG 3.78Å; F115-R149 HydrophobicContact CZ-CB 4.16Å; F115-R149 HydrophobicContact CZ-CG 4.33Å; F115-L150 HydrophobicContact CE1-CB 3.81Å; F115-L150 HydrophobicContact CE1-CD1 4.13Å; F115-L150 HydrophobicContact CZ-CB 4Å
116F95.8Very high92.2Very high5 Ų567.9 Ų67.92%0.02232%0.317CS..Hα-helixtrans-61.5-49.3177.7-175.1-98.9000111.1Y104 C112 S113 R118 S119 V120 L150 C153 I154 M158Y104-F116 AromaticContact CD1-CD1 3.92Å; Y104-F116 HydrophobicContact CD1-CD1 3.92Å; Y104-F116 AromaticContact CD1-CE1 3.86Å; Y104-F116 HydrophobicContact CD1-CE1 3.86Å; Y104-F116 HydrophobicContact CD2-CB 4.4Å; Y104-F116 AromaticContact CD2-CD1 3.49Å; Y104-F116 HydrophobicContact CD2-CD1 3.49Å; Y104-F116 VanDerWaalsContact CD2-CD1 3.49Å; Y104-F116 HydrophobicContact CD2-CE1 4.19Å; Y104-F116 HydrophobicContact CD2-CG 4.32Å; Y104-F116 HydrophobicContact CE1-CD1 4.4Å; Y104-F116 HydrophobicContact CE2-CD1 4.02Å; Y104-F116 AromaticContact CG-CD1 3.44Å; Y104-F116 HydrophobicContact CG-CD1 3.44Å; Y104-F116 VanDerWaalsContact CG-CD1 3.44Å; Y104-F116 AromaticContact CG-CE1 3.65Å; Y104-F116 HydrophobicContact CG-CE1 3.65Å; C112-F116 WeakPolarHBondContact O-CB 3.45Å; C112-F116 PolarHBondContact O-N 3.01Å; S113-F116 PolarHBondContact O-N 3.5Å; F116-R118 VanDerWaalsContact C-N 3.32Å; F116-R118 PolarHBondContact O-N 3.38Å; F116-S119 PolarHBondContact O-N 3.14Å; F116-S119 VanDerWaalsContact O-N 3.08Å; F116-V120 HydrophobicContact CD1-CG2 4.1Å; F116-V120 HydrophobicContact CD2-CG2 4.29Å; F116-V120 HydrophobicContact CE1-CG2 3.76Å; F116-V120 HydrophobicContact CE2-CG2 3.96Å; F116-V120 HydrophobicContact CG-CG2 4.36Å; F116-V120 HydrophobicContact CZ-CG2 3.68Å; F116-V120 WeakPolarHBondContact O-CG2 3.37Å; F116-V120 PolarHBondContact O-N 3.46Å; F116-L150 HydrophobicContact CD2-CD1 3.99Å; F116-L150 HydrophobicContact CE2-CD1 4.43Å; F116-C153 HydrophobicContact CD2-CB 3.86Å; F116-C153 HydrophobicContact CE2-CB 4.48Å; F116-I154 HydrophobicContact CE2-CG1 4.18Å; F116-M158 HydrophobicContact CB-SD 3.65Å; F116-M158 HydrophobicContact CD1-CB 4.27Å; F116-M158 HydrophobicContact CD1-SD 4.27Å; F116-M158 HydrophobicContact CD2-CB 3.74Å; F116-M158 HydrophobicContact CD2-CG 4.4Å; F116-M158 HydrophobicContact CD2-SD 3.82Å; F116-M158 HydrophobicContact CE1-CB 4.03Å; F116-M158 HydrophobicContact CE2-CB 3.49Å; F116-M158 VanDerWaalsContact CE2-CB 3.49Å; F116-M158 HydrophobicContact CG-CB 4.13Å; F116-M158 HydrophobicContact CG-CG 4.49Å; F116-M158 HydrophobicContact CG-SD 3.66Å; F116-M158 HydrophobicContact CZ-CB 3.64Å; F116-M158 VanDerWaalsContact CZ-O 3.26Å; F116-M158 WeakPolarHBondContact CZ-O 3.48Å
117K93.1Very high92.5Very high123 Ų12377.6 Ų77.654%0.53535%0.352SS..Hα-helixtrans-50.6-48.2175.4-171.6174.5-173.1170.80112.6Y104 S113 R121Y104-K117 HydrophobicContact CE2-CB 4.17Å; Y104-K117 WeakPolarHBondContact OH-CB 3.26Å; Y104-K117 WeakPolarHBondContact OH-CD 3.42Å; Y104-K117 VanDerWaalsContact OH-CG 3.3Å; Y104-K117 WeakPolarHBondContact OH-CG 3.44Å; S113-K117 WeakPolarHBondContact O-CB 3.44Å; S113-K117 PolarHBondContact O-N 3.39Å; K117-R121 WeakPolarHBondContact O-CB 3.04Å; K117-R121 PolarHBondContact O-N 3.4Å
118R94.1Very high92.9Very high131 Ų13175.9 Ų75.949%0.49434%0.344SS..Hα-helixtrans-66.7-42.7178.4-73.7-174.2-59.1-92.84112.3G114 F115 F116 R122G114-R118 WeakPolarHBondContact O-CB 3.38Å; G114-R118 WeakPolarHBondContact O-CG 3.26Å; G114-R118 VanDerWaalsContact O-CZ 3.28Å; G114-R118 PolarHBondContact O-N 3.29Å; G114-R118 VanDerWaalsContact O-N 3.12Å; G114-R118 PolarHBondContact O-NH1 3.31Å; F115-R118 PolarHBondContact O-N 3.46Å; F116-R118 VanDerWaalsContact C-N 3.32Å; F116-R118 PolarHBondContact O-N 3.38Å; R118-R122 WeakPolarHBondContact O-CB 3.36Å; R118-R122 PolarHBondContact O-N 3.49Å; R118-R122 VanDerWaalsContact O-N 3.14Å
119S93.3Very high93Very high4 Ų484.6 Ų84.63%0.02839%0.385CS..Hα-helixtrans-63-47.9-178.2-54.10000111.3F115 F116 K123 L124 Y126F115-S119 WeakPolarHBondContact O-CB 3.49Å; F115-S119 PolarHBondContact O-N 3.37Å; F115-S119 PolarHBondContact O-OG 3.27Å; F116-S119 PolarHBondContact O-N 3.14Å; F116-S119 VanDerWaalsContact O-N 3.08Å; S119-K123 PolarHBondContact O-N 2.98Å; S119-K123 VanDerWaalsContact O-N 3.15Å; S119-L124 PolarHBondContact O-N 3.08Å; S119-Y126 WeakPolarHBondContact OG-CE2 3.07Å; S119-Y126 PolarHBondContact OG-OH 3.27Å
120V89.1Confident92.9Very high56 Ų5687.6 Ų87.634%0.33941%0.41SS..Hα-helixtrans-67.5-53.5177.9174.60000111.4F116 R122 K123 K160F116-V120 HydrophobicContact CD1-CG2 4.1Å; F116-V120 HydrophobicContact CD2-CG2 4.29Å; F116-V120 HydrophobicContact CE1-CG2 3.76Å; F116-V120 HydrophobicContact CE2-CG2 3.96Å; F116-V120 HydrophobicContact CG-CG2 4.36Å; F116-V120 HydrophobicContact CZ-CG2 3.68Å; F116-V120 WeakPolarHBondContact O-CG2 3.37Å; F116-V120 PolarHBondContact O-N 3.46Å; V120-R122 PolarHBondContact O-N 3.33Å; V120-K123 PolarHBondContact O-N 3.38Å; V120-K160 HydrophobicContact CG1-CB 3.68Å
121R86.3Confident92.8Very high218 Ų21889 Ų8982%0.82342%0.418SS*.Hα-helixtrans-59-35.3-175.7178.5175.3169.284.6-1.5112.9K117K117-R121 WeakPolarHBondContact O-CB 3.04Å; K117-R121 PolarHBondContact O-N 3.4Å
122R89.5Confident92.6Very high181 Ų18191.7 Ų91.768%0.68343%0.428SS*.THydrogen-bonded Turntrans-96.16179.4-66.9179.8177.9178.7-1.6113.5R118 V120 L124R118-R122 WeakPolarHBondContact O-CB 3.36Å; R118-R122 PolarHBondContact O-N 3.49Å; R118-R122 VanDerWaalsContact O-N 3.14Å; V120-R122 PolarHBondContact O-N 3.33Å; R122-L124 HydrophobicContact CB-CD1 4.11Å; R122-L124 HydrophobicContact CB-CD2 3.94Å; R122-L124 HydrophobicContact CB-CG 3.69Å; R122-L124 PolarHBondContact O-N 2.71Å
123K86.6Confident92.3Very high185 Ų18592.7 Ų92.780%0.80444%0.438SS*.THydrogen-bonded Turntrans48.441.9-177.1-59179.6179.9179.10112.9S119 V120S119-K123 PolarHBondContact O-N 2.98Å; S119-K123 VanDerWaalsContact O-N 3.15Å; V120-K123 PolarHBondContact O-N 3.38Å
124L89.3Confident92.3Very high65 Ų6598.2 Ų98.234%0.3447%0.467SS..  trans-74.6129.1-172.9-62.5175.6000111.7S119 R122 Y126S119-L124 PolarHBondContact O-N 3.08Å; R122-L124 HydrophobicContact CB-CD1 4.11Å; R122-L124 HydrophobicContact CB-CD2 3.94Å; R122-L124 HydrophobicContact CB-CG 3.69Å; R122-L124 PolarHBondContact O-N 2.71Å; L124-Y126 HydrophobicContact CB-CE1 4.2Å; L124-Y126 HydrophobicContact CB-CE2 4.19Å; L124-Y126 HydrophobicContact CD1-CE1 4.35Å; L124-Y126 VanDerWaalsContact CD1-OH 3.26Å; L124-Y126 WeakPolarHBondContact CD1-OH 3.22Å
125I90Very high92.3Very high155 Ų15598.9 Ų98.980%0.79547%0.468SS*.  trans-104.4119.6173.2-60.3166000107.8
126Y95.1Very high92.2Very high51 Ų51105.3 Ų105.320%0.250%0.496CS..  trans-106.7144.6178.1-56.1-67.4000110.7F115 S119 L124 Q146 L150F115-Y126 AromaticContact CE2-CE2 3.98Å; F115-Y126 HydrophobicContact CE2-CE2 3.98Å; F115-Y126 HydrophobicContact CZ-CD2 4.35Å; F115-Y126 AromaticContact CZ-CE2 3.71Å; F115-Y126 HydrophobicContact CZ-CE2 3.71Å; S119-Y126 WeakPolarHBondContact OG-CE2 3.07Å; S119-Y126 PolarHBondContact OG-OH 3.27Å; L124-Y126 HydrophobicContact CB-CE1 4.2Å; L124-Y126 HydrophobicContact CB-CE2 4.19Å; L124-Y126 HydrophobicContact CD1-CE1 4.35Å; L124-Y126 VanDerWaalsContact CD1-OH 3.26Å; L124-Y126 WeakPolarHBondContact CD1-OH 3.22Å; Y126-Q146 HydrophobicContact CD1-CB 3.62Å; Y126-Q146 HydrophobicContact CD1-CG 4.42Å; Y126-Q146 HydrophobicContact CD2-CB 3.99Å; Y126-Q146 HydrophobicContact CE1-CB 3.85Å; Y126-Q146 HydrophobicContact CE1-CG 4.3Å; Y126-Q146 HydrophobicContact CE2-CB 4.19Å; Y126-Q146 HydrophobicContact CG-CB 3.69Å; Y126-L150 HydrophobicContact CD2-CB 4.26Å; Y126-L150 HydrophobicContact CD2-CD2 3.87Å; Y126-L150 HydrophobicContact CE2-CD2 4.03Å
127R93.9Very high92.3Very high221 Ų221105.7 Ų105.783%0.83450%0.499SS*.  trans-108.8146.1170.2-63.1-178.1-175.5-98.51.5110
128C96.3Very high92.4Very high16 Ų16101.2 Ų101.211%0.10848%0.481CS..  trans-85.4112.9176.7179.20000109A130 N131 C135 C145 A147C128-A130 PolarHBondContact O-N 3.21Å; C128-N131 WeakPolarHBondContact O-CA 3.36Å; C128-N131 PolarHBondContact O-N 3.21Å; C128-N131 PolarHBondContact O-OD1 2.91Å; C128-C135 PolarHBondContact SG-SG 3.48Å; C128-C145 VanDerWaalsContact SG-SG 3.65Å; C128-A147 HydrophobicContact CB-CB 4.15Å
129Q93.5Very high92.4Very high182 Ų182100.9 Ų100.985%0.8548%0.483SS*.THydrogen-bonded Turntrans-60.8-32.2-177.8-71.4173.4-36.100113.2N131Q129-N131 PolarHBondContact O-N 2.8Å
130A92.2Very high92.5Very high64 Ų64105.6 Ų105.653%0.52951%0.511SS..THydrogen-bonded Turntrans-77.3-4.8174.800000113.7C128 T132C128-A130 PolarHBondContact O-N 3.21Å; A130-T132 HydrophobicContact CB-CG2 4.37Å; A130-T132 WeakPolarHBondContact O-CG2 3.39Å; A130-T132 PolarHBondContact O-N 3.3Å
131N90.6Very high92.7Very high147 Ų147106 Ų10679%0.78651%0.51SS*.SBendtrans54-2.2-174.3-66-46.9000117.1C128 Q129 G133C128-N131 WeakPolarHBondContact O-CA 3.36Å; C128-N131 PolarHBondContact O-N 3.21Å; C128-N131 PolarHBondContact O-OD1 2.91Å; Q129-N131 PolarHBondContact O-N 2.8Å; N131-G133 VanDerWaalsContact C-N 3.31Å; N131-G133 PolarHBondContact O-N 3.06Å
132T92.4Very high93.2Very high84 Ų8497.7 Ų97.752%0.51548%0.478SS..SBendtrans-71-21.9178.663.60000114.3A130 N134A130-T132 HydrophobicContact CB-CG2 4.37Å; A130-T132 WeakPolarHBondContact O-CG2 3.39Å; A130-T132 PolarHBondContact O-N 3.3Å; T132-N134 PolarHBondContact O-N 3.19Å; T132-N134 PolarHBondContact O-ND2 3.24Å; T132-N134 PolarHBondContact OG1-N 2.93Å
133G91.3Very high93.5Very high20 Ų2094.9 Ų94.921%0.20648%0.477CS..SBendtrans61.29.5-173.700000115.4N131 C148 K151N131-G133 VanDerWaalsContact C-N 3.31Å; N131-G133 PolarHBondContact O-N 3.06Å; G133-C148 PolarHBondContact O-SG 3.42Å; G133-K151 PolarHBondContact O-NZ 3.22Å
134N93.4Very high93.9Very high128 Ų12892.3 Ų92.368%0.68447%0.468SS*.  trans-132.521.5-168-69-22.6000113.6T132 K136 C148T132-N134 PolarHBondContact O-N 3.19Å; T132-N134 PolarHBondContact O-ND2 3.24Å; T132-N134 PolarHBondContact OG1-N 2.93Å; N134-K136 PolarHBondContact O-N 3.12Å; N134-C148 PolarHBondContact N-SG 3.01Å
135C95.9Very high94.3Very high32 Ų3290 Ų9022%0.21646%0.457CS..  trans-54.3140.1177-56.10000111.9C128 C145 C148C128-C135 PolarHBondContact SG-SG 3.48Å; C135-C145 HydrophobicContact CB-CB 3.65Å; C135-C148 HydrophobicContact CB-CB 3.84Å; C135-C148 PolarHBondContact N-SG 3.13Å
136K95Very high94.7Very high143 Ų14387.4 Ų87.462%0.62244%0.441SS*.  trans-60.6136.8179.7-163.1-174.5-175.5-1490110.8N134 D138N134-K136 PolarHBondContact O-N 3.12Å; K136-D138 VanDerWaalsContact CD-OD2 3.29Å; K136-D138 WeakPolarHBondContact CD-OD2 3.38Å; K136-D138 WeakPolarHBondContact CE-OD2 3.32Å; K136-D138 IonicContact NZ-OD2 2.72Å; K136-D138 PolarHBondContact NZ-OD2 3.2Å
137V96.5Very high94.7Very high14 Ų1485.8 Ų85.89%0.08544%0.438CS..  trans-127.295.7176.9-175.10000108.6V94 C95 R142 C148 R149 K152V94-V137 HydrophobicContact CG1-CG1 4.12Å; V94-V137 WeakPolarHBondContact O-CG1 3.3Å; C95-V137 HydrophobicContact CB-CG1 4.09Å; V137-R142 HydrophobicContact CG1-CB 4.02Å; V137-C148 HydrophobicContact CG2-CB 4.46Å; V137-R149 HydrophobicContact CG1-CG 4.23Å; V137-K152 HydrophobicContact CB-CD 3.8Å; V137-K152 HydrophobicContact CG1-CD 4.21Å; V137-K152 HydrophobicContact CG2-CD 4.23Å; V137-K152 PolarHBondContact O-NZ 3.08Å
138D96Very high94.9Very high29 Ų2975.6 Ų75.616%0.15540%0.401CS..SBendtrans-126.6-179.1174.860.526.3000110C95 K136 T140 H141 R142C95-D138 CarbonylContact O-C 3.17Å; C95-D138 VanDerWaalsContact O-CA 3.26Å; C95-D138 WeakPolarHBondContact O-CA 3.29Å; K136-D138 VanDerWaalsContact CD-OD2 3.29Å; K136-D138 WeakPolarHBondContact CD-OD2 3.38Å; K136-D138 WeakPolarHBondContact CE-OD2 3.32Å; K136-D138 IonicContact NZ-OD2 2.72Å; K136-D138 PolarHBondContact NZ-OD2 3.2Å; D138-T140 VanDerWaalsContact C-N 3.31Å; D138-T140 PolarHBondContact O-N 2.78Å; D138-T140 PolarHBondContact OD1-N 2.84Å; D138-T140 PolarHBondContact OD1-OG1 2.95Å; D138-T140 VanDerWaalsContact OD1-OG1 3.08Å; D138-H141 VanDerWaalsContact CG-ND1 3.33Å; D138-H141 PolarHBondContact O-N 3.38Å; D138-H141 WeakPolarHBondContact OD1-CA 3.44Å; D138-H141 WeakPolarHBondContact OD1-CB 3.49Å; D138-H141 IonicContact OD1-CG 3.76Å; D138-H141 VanDerWaalsContact OD1-CG 3.29Å; D138-H141 PolarHBondContact OD1-N 3.41Å; D138-H141 IonicContact OD1-ND1 2.97Å; D138-H141 PolarHBondContact OD1-ND1 3.11Å; D138-H141 IonicContact OD2-CE1 3.58Å; D138-H141 IonicContact OD2-CG 2.95Å; D138-H141 IonicContact OD2-ND1 2.69Å; D138-H141 PolarHBondContact OD2-ND1 3.09Å; D138-R142 WeakPolarHBondContact O-CB 3.36Å; D138-R142 PolarHBondContact O-N 3.03Å
139K94.7Very high95Very high124 Ų12475.3 Ų75.354%0.53940%0.398SS..THydrogen-bonded Turntrans-56.5-42.3-174.2175.7171.2178.5144.10113C95 D97 R142C95-K139 PolarHBondContact O-N 2.99Å; D97-K139 HydrophobicContact CB-CB 4.09Å; D97-K139 HydrophobicContact CB-CD 4.12Å; D97-K139 HydrophobicContact CB-CG 3.92Å; D97-K139 VanDerWaalsContact OD1-CD 3.25Å; D97-K139 WeakPolarHBondContact OD1-CD 3.44Å; D97-K139 WeakPolarHBondContact OD1-CE 3.4Å; D97-K139 IonicContact OD1-NZ 2.73Å; D97-K139 PolarHBondContact OD1-NZ 2.94Å; K139-R142 PolarHBondContact O-NE 3Å
140T95.2Very high95.2Very high102 Ų10267.9 Ų67.963%0.62636%0.364SS*.THydrogen-bonded Turntrans-81.3-40-176.2470000112.2D138D138-T140 VanDerWaalsContact C-N 3.31Å; D138-T140 PolarHBondContact O-N 2.78Å; D138-T140 PolarHBondContact OD1-N 2.84Å; D138-T140 PolarHBondContact OD1-OG1 2.95Å; D138-T140 VanDerWaalsContact OD1-OG1 3.08Å
141H93.6Very high95.3Very high66 Ų6670.4 Ų70.431%0.30636%0.363SS..THydrogen-bonded Turntrans-103.5-2.1-168.6-50.9115.8000114.5D138 N143 Q144D138-H141 VanDerWaalsContact CG-ND1 3.33Å; D138-H141 PolarHBondContact O-N 3.38Å; D138-H141 WeakPolarHBondContact OD1-CA 3.44Å; D138-H141 WeakPolarHBondContact OD1-CB 3.49Å; D138-H141 IonicContact OD1-CG 3.76Å; D138-H141 VanDerWaalsContact OD1-CG 3.29Å; D138-H141 PolarHBondContact OD1-N 3.41Å; D138-H141 IonicContact OD1-ND1 2.97Å; D138-H141 PolarHBondContact OD1-ND1 3.11Å; D138-H141 IonicContact OD2-CE1 3.58Å; D138-H141 IonicContact OD2-CG 2.95Å; D138-H141 IonicContact OD2-ND1 2.69Å; D138-H141 PolarHBondContact OD2-ND1 3.09Å; H141-N143 PolarHBondContact O-N 3.31Å; H141-Q144 HydrophobicContact CB-CG 4.25Å; H141-Q144 PolarHBondContact CD2-NE2 2.9Å; H141-Q144 VanDerWaalsContact CD2-NE2 3.26Å; H141-Q144 WeakPolarHBondContact O-CB 3.19Å; H141-Q144 PolarHBondContact O-N 3.26Å
142R96Very high95.6Very high43 Ų4366.5 Ų66.516%0.16234%0.339CS..THydrogen-bonded Turntrans-52.6-1417761.1-173.4-177.2-170.5-9.4116.2C95 D97 C109 V137 D138 K139 R149C95-R142 HydrophobicContact CB-CB 4.17Å; C95-R142 PolarHBondContact SG-NH1 2.88Å; C95-R142 VanDerWaalsContact SG-NH1 3.43Å; D97-R142 IonicContact OD2-CZ 3.17Å; D97-R142 IonicContact OD2-NH1 2.7Å; D97-R142 PolarHBondContact OD2-NH1 2.75Å; D97-R142 IonicContact OD2-NH2 2.85Å; D97-R142 PolarHBondContact OD2-NH2 3.02Å; C109-R142 PolarHBondContact SG-NH1 2.94Å; V137-R142 HydrophobicContact CG1-CB 4.02Å; D138-R142 WeakPolarHBondContact O-CB 3.36Å; D138-R142 PolarHBondContact O-N 3.03Å; K139-R142 PolarHBondContact O-NE 3Å; R142-R149 VanDerWaalsContact O-CD 3.28Å; R142-R149 WeakPolarHBondContact O-CD 3.33Å; R142-R149 PolarHBondContact O-NH1 3.37Å
143N96.5Very high95.8Very high122 Ų12262.5 Ų62.565%0.65231%0.314SS*.THydrogen-bonded Turntrans-94.8-12.6177.2-67.3-13.8000113.7H141 C145 R149H141-N143 PolarHBondContact O-N 3.31Å; N143-C145 PolarHBondContact O-N 3.35Å; N143-R149 PolarHBondContact OD1-NH1 2.92Å
144Q95.2Very high95.9Very high130 Ų13066.6 Ų66.661%0.60733%0.33SS*.SBendtrans-66.5-35.3-175.7-69.8179.3-13.800113.9H141H141-Q144 HydrophobicContact CB-CG 4.25Å; H141-Q144 PolarHBondContact CD2-NE2 2.9Å; H141-Q144 VanDerWaalsContact CD2-NE2 3.26Å; H141-Q144 WeakPolarHBondContact O-CB 3.19Å; H141-Q144 PolarHBondContact O-N 3.26Å
145C97.5Very high95.9Very high16 Ų1668.9 Ų68.911%0.10833%0.334CS..  trans-140.1101-178.9-176.30000111.4C128 C135 N143 A147 C148 R149C128-C145 VanDerWaalsContact SG-SG 3.65Å; C135-C145 HydrophobicContact CB-CB 3.65Å; N143-C145 PolarHBondContact O-N 3.35Å; C145-A147 VanDerWaalsContact C-N 3.29Å; C145-A147 PolarHBondContact O-N 3.27Å; C145-C148 HydrophobicContact CB-CB 4.14Å; C145-C148 PolarHBondContact O-N 2.92Å; C145-C148 PolarHBondContact SG-N 3.47Å; C145-R149 WeakPolarHBondContact O-CB 3.47Å; C145-R149 PolarHBondContact O-N 2.87Å
146Q97.2Very high95.9Very high101 Ų10171.4 Ų71.447%0.47234%0.344SS..Hα-helixtrans-60.9-37.4179-65.4175.6-28.800112F115 Y126 R149 L150F115-Q146 HydrophobicContact CE2-CB 4.1Å; F115-Q146 HydrophobicContact CE2-CG 4.15Å; F115-Q146 HydrophobicContact CZ-CB 4.23Å; F115-Q146 WeakPolarHBondContact CZ-O 3.43Å; Y126-Q146 HydrophobicContact CD1-CB 3.62Å; Y126-Q146 HydrophobicContact CD1-CG 4.42Å; Y126-Q146 HydrophobicContact CD2-CB 3.99Å; Y126-Q146 HydrophobicContact CE1-CB 3.85Å; Y126-Q146 HydrophobicContact CE1-CG 4.3Å; Y126-Q146 HydrophobicContact CE2-CB 4.19Å; Y126-Q146 HydrophobicContact CG-CB 3.69Å; Q146-R149 PolarHBondContact O-N 3.43Å; Q146-L150 PolarHBondContact O-N 2.92Å
147A96.8Very high95.6Very high17 Ų1766.7 Ų66.714%0.1434%0.335CS..Hα-helixtrans-61.3-51.3177.200000112.5C128 C145 R149 L150 K151C128-A147 HydrophobicContact CB-CB 4.15Å; C145-A147 VanDerWaalsContact C-N 3.29Å; C145-A147 PolarHBondContact O-N 3.27Å; A147-R149 VanDerWaalsContact C-N 3.33Å; A147-R149 PolarHBondContact O-N 3.01Å; A147-L150 PolarHBondContact O-N 3.15Å; A147-K151 VanDerWaalsContact O-CB 3.32Å; A147-K151 WeakPolarHBondContact O-CB 3.18Å; A147-K151 PolarHBondContact O-N 3.39Å
148C97.6Very high95.4Very high7 Ų766.4 Ų66.45%0.04733%0.333CS..Hα-helixtrans-66.6-34.8177.9-67.90000112.2G133 N134 C135 V137 C145 K152G133-C148 PolarHBondContact O-SG 3.42Å; N134-C148 PolarHBondContact N-SG 3.01Å; C135-C148 HydrophobicContact CB-CB 3.84Å; C135-C148 PolarHBondContact N-SG 3.13Å; V137-C148 HydrophobicContact CG2-CB 4.46Å; C145-C148 HydrophobicContact CB-CB 4.14Å; C145-C148 PolarHBondContact O-N 2.92Å; C145-C148 PolarHBondContact SG-N 3.47Å; C148-K152 WeakPolarHBondContact O-CB 3.09Å; C148-K152 PolarHBondContact O-N 2.92Å
149R98.2Very high94.8Very high10 Ų1069 Ų694%0.03835%0.347CS..Hα-helixtrans-62.9-47.4173.4-168.9-169.6-168.3151.8-6.7112V94 G111 C112 F115 V137 R142 N143 C145 Q146 A147 K152 C153V94-R149 HydrophobicContact CG1-CG 4.46Å; G111-R149 VanDerWaalsContact C-NH2 3.27Å; G111-R149 PolarHBondContact O-NH2 3.2Å; G111-R149 VanDerWaalsContact O-NH2 3.08Å; C112-R149 PolarHBondContact SG-NH2 3.01Å; C112-R149 VanDerWaalsContact SG-NH2 3.42Å; F115-R149 VanDerWaalsContact CD1-CD 3.47Å; F115-R149 HydrophobicContact CD1-CG 3.93Å; F115-R149 HydrophobicContact CE1-CB 3.99Å; F115-R149 HydrophobicContact CE1-CG 3.78Å; F115-R149 HydrophobicContact CZ-CB 4.16Å; F115-R149 HydrophobicContact CZ-CG 4.33Å; V137-R149 HydrophobicContact CG1-CG 4.23Å; R142-R149 VanDerWaalsContact O-CD 3.28Å; R142-R149 WeakPolarHBondContact O-CD 3.33Å; R142-R149 PolarHBondContact O-NH1 3.37Å; N143-R149 PolarHBondContact OD1-NH1 2.92Å; C145-R149 WeakPolarHBondContact O-CB 3.47Å; C145-R149 PolarHBondContact O-N 2.87Å; Q146-R149 PolarHBondContact O-N 3.43Å; A147-R149 VanDerWaalsContact C-N 3.33Å; A147-R149 PolarHBondContact O-N 3.01Å; R149-K152 PolarHBondContact O-N 2.92Å; R149-C153 PolarHBondContact O-N 2.89Å; R149-C153 PolarHBondContact O-SG 3.34Å
150L96.5Very high93.8Very high27 Ų2769.5 Ų69.514%0.14135%0.349CS..Hα-helixtrans-66.3-44.4179.2-173.761.8000111.5F115 F116 Y126 Q146 A147 K152 C153 I154F115-L150 HydrophobicContact CE1-CB 3.81Å; F115-L150 HydrophobicContact CE1-CD1 4.13Å; F115-L150 HydrophobicContact CZ-CB 4Å; F116-L150 HydrophobicContact CD2-CD1 3.99Å; F116-L150 HydrophobicContact CE2-CD1 4.43Å; Y126-L150 HydrophobicContact CD2-CB 4.26Å; Y126-L150 HydrophobicContact CD2-CD2 3.87Å; Y126-L150 HydrophobicContact CE2-CD2 4.03Å; Q146-L150 PolarHBondContact O-N 2.92Å; A147-L150 PolarHBondContact O-N 3.15Å; L150-K152 VanDerWaalsContact C-N 3.26Å; L150-K152 PolarHBondContact O-N 3.22Å; L150-C153 WeakPolarHBondContact O-CB 3.4Å; L150-C153 PolarHBondContact O-N 2.94Å; L150-C153 VanDerWaalsContact O-N 3.09Å; L150-I154 HydrophobicContact CD1-CD1 4.47Å; L150-I154 HydrophobicContact CG-CD1 4.2Å; L150-I154 PolarHBondContact O-N 3.43Å
151K95.6Very high92.5Very high116 Ų11669.8 Ų69.850%0.50435%0.347SS..Hα-helixtrans-53.6-42.9171.7-177.7-178.9173.8-170.90111.3G133 A147 K155G133-K151 PolarHBondContact O-NZ 3.22Å; A147-K151 VanDerWaalsContact O-CB 3.32Å; A147-K151 WeakPolarHBondContact O-CB 3.18Å; A147-K151 PolarHBondContact O-N 3.39Å; K151-K155 VanDerWaalsContact O-CB 3.22Å; K151-K155 WeakPolarHBondContact O-CB 3.49Å; K151-K155 PolarHBondContact O-N 3.21Å
152K97.1Very high90.6Very high66 Ų6667.6 Ų67.629%0.28734%0.342SS..Hα-helixtrans-70.4-37.8175.9-165.3175179-169.30112.8V94 V137 C148 R149 L150 I154 K155 M156V94-K152 HydrophobicContact CG1-CB 4.36Å; V94-K152 HydrophobicContact CG1-CD 4.41Å; V94-K152 HydrophobicContact CG1-CG 4.31Å; V94-K152 WeakPolarHBondContact O-CD 3.25Å; V94-K152 WeakPolarHBondContact O-CE 3.08Å; V94-K152 PolarHBondContact O-NZ 2.97Å; V137-K152 HydrophobicContact CB-CD 3.8Å; V137-K152 HydrophobicContact CG1-CD 4.21Å; V137-K152 HydrophobicContact CG2-CD 4.23Å; V137-K152 PolarHBondContact O-NZ 3.08Å; C148-K152 WeakPolarHBondContact O-CB 3.09Å; C148-K152 PolarHBondContact O-N 2.92Å; R149-K152 PolarHBondContact O-N 2.92Å; L150-K152 VanDerWaalsContact C-N 3.26Å; L150-K152 PolarHBondContact O-N 3.22Å; K152-I154 PolarHBondContact O-N 2.63Å; K152-K155 PolarHBondContact O-N 3.01Å; K152-M156 HydrophobicContact CG-CG 4.16Å; K152-M156 WeakPolarHBondContact O-CB 3.47Å; K152-M156 VanDerWaalsContact O-CG 3.25Å; K152-M156 WeakPolarHBondContact O-CG 3.28Å; K152-M156 PolarHBondContact O-N 3.48Å
153C96Very high88.4Confident0 Ų070.8 Ų70.80%036%0.357CS..Hα-helixtrans-56.2-51.1173.8-65.80000111.3F116 R149 L150 M156 G157 M158F116-C153 HydrophobicContact CD2-CB 3.86Å; F116-C153 HydrophobicContact CE2-CB 4.48Å; R149-C153 PolarHBondContact O-N 2.89Å; R149-C153 PolarHBondContact O-SG 3.34Å; L150-C153 WeakPolarHBondContact O-CB 3.4Å; L150-C153 PolarHBondContact O-N 2.94Å; L150-C153 VanDerWaalsContact O-N 3.09Å; C153-M156 PolarHBondContact O-N 3.28Å; C153-G157 PolarHBondContact O-N 3.2Å; C153-M158 HydrophobicContact CB-CB 4.28Å; C153-M158 HydrophobicContact CB-CG 4.22Å; C153-M158 HydrophobicContact CB-SD 3.61Å; C153-M158 WeakPolarHBondContact O-CB 3.46Å; C153-M158 PolarHBondContact O-N 2.85Å
154I93.2Very high85.8Confident105 Ų10570.5 Ų70.554%0.53835%0.353SS..Hα-helixtrans-65.6-46.7179-61.5167.2000110.4F116 L150 K152 M156 G157F116-I154 HydrophobicContact CE2-CG1 4.18Å; L150-I154 HydrophobicContact CD1-CD1 4.47Å; L150-I154 HydrophobicContact CG-CD1 4.2Å; L150-I154 PolarHBondContact O-N 3.43Å; K152-I154 PolarHBondContact O-N 2.63Å; I154-M156 VanDerWaalsContact C-N 3.27Å; I154-M156 PolarHBondContact O-N 3.26Å; I154-G157 PolarHBondContact O-N 2.94Å
155K94.5Very high83Confident177 Ų17767.4 Ų67.477%0.7734%0.34SS*.Hα-helixtrans-57.4-36.2178.2179.8176.9177.6179.20113.3K151 K152 G157K151-K155 VanDerWaalsContact O-CB 3.22Å; K151-K155 WeakPolarHBondContact O-CB 3.49Å; K151-K155 PolarHBondContact O-N 3.21Å; K152-K155 PolarHBondContact O-N 3.01Å; K155-G157 VanDerWaalsContact C-N 3.28Å
156M93.9Very high80Confident85 Ų8572.3 Ų72.342%0.41937%0.365SS..THydrogen-bonded Turntrans-79.6-9177.8-63.1-49.6-66.100113.3A93 I106 K152 C153 I154A93-M156 HydrophobicContact CB-CB 4.45Å; A93-M156 HydrophobicContact CB-CE 3.96Å; A93-M156 HydrophobicContact CB-CG 4.48Å; I106-M156 HydrophobicContact CD1-CB 3.58Å; I106-M156 WeakPolarHBondContact CG2-O 3.33Å; K152-M156 HydrophobicContact CG-CG 4.16Å; K152-M156 WeakPolarHBondContact O-CB 3.47Å; K152-M156 VanDerWaalsContact O-CG 3.25Å; K152-M156 WeakPolarHBondContact O-CG 3.28Å; K152-M156 PolarHBondContact O-N 3.48Å; C153-M156 PolarHBondContact O-N 3.28Å; I154-M156 VanDerWaalsContact C-N 3.27Å; I154-M156 PolarHBondContact O-N 3.26Å
157G90.4Very high77.1Confident43 Ų4370.3 Ų70.344%0.44336%0.357SS..THydrogen-bonded Turntrans113.613.417500000116.5I106 C153 I154 K155 N159I106-G157 VanDerWaalsContact CG2-C 3.45Å; C153-G157 PolarHBondContact O-N 3.2Å; I154-G157 PolarHBondContact O-N 2.94Å; K155-G157 VanDerWaalsContact C-N 3.28Å; G157-N159 PolarHBondContact O-N 3.01Å
158M92.2Very high74Confident9 Ų974.5 Ų74.54%0.04438%0.381CS..  trans-67.9117.5176.7-73.5-170.8161.100112V94 Y104 I106 A108 F116 C153V94-M158 HydrophobicContact CG2-CE 4.36Å; Y104-M158 CarbonylContact O-C 3.55Å; Y104-M158 VanDerWaalsContact O-CA 3.29Å; Y104-M158 WeakPolarHBondContact O-CA 3.18Å; I106-M158 HydrophobicContact CD1-CE 4.04Å; I106-M158 HydrophobicContact CD1-CG 3.52Å; I106-M158 HydrophobicContact CD1-SD 4.42Å; I106-M158 HydrophobicContact CG1-CE 3.85Å; I106-M158 HydrophobicContact CG1-CG 3.62Å; A108-M158 HydrophobicContact CB-CE 3.35Å; F116-M158 HydrophobicContact CB-SD 3.65Å; F116-M158 HydrophobicContact CD1-CB 4.27Å; F116-M158 HydrophobicContact CD1-SD 4.27Å; F116-M158 HydrophobicContact CD2-CB 3.74Å; F116-M158 HydrophobicContact CD2-CG 4.4Å; F116-M158 HydrophobicContact CD2-SD 3.82Å; F116-M158 HydrophobicContact CE1-CB 4.03Å; F116-M158 HydrophobicContact CE2-CB 3.49Å; F116-M158 VanDerWaalsContact CE2-CB 3.49Å; F116-M158 HydrophobicContact CG-CB 4.13Å; F116-M158 HydrophobicContact CG-CG 4.49Å; F116-M158 HydrophobicContact CG-SD 3.66Å; F116-M158 HydrophobicContact CZ-CB 3.64Å; F116-M158 VanDerWaalsContact CZ-O 3.26Å; F116-M158 WeakPolarHBondContact CZ-O 3.48Å; C153-M158 HydrophobicContact CB-CB 4.28Å; C153-M158 HydrophobicContact CB-CG 4.22Å; C153-M158 HydrophobicContact CB-SD 3.61Å; C153-M158 WeakPolarHBondContact O-CB 3.46Å; C153-M158 PolarHBondContact O-N 2.85Å
159N82Confident70.9Confident82 Ų8278.4 Ų78.444%0.43940%0.4SS..  trans-111.3140.7174-170.111.8000112.1Y104 G157 D161 G162Y104-N159 WeakPolarHBondContact CB-O 3.47Å; Y104-N159 WeakPolarHBondContact CD1-O 3.32Å; Y104-N159 PolarHBondContact O-N 2.89Å; G157-N159 PolarHBondContact O-N 3.01Å; N159-D161 PolarHBondContact ND2-OD2 3.03Å; N159-D161 PolarHBondContact O-N 3.36Å; N159-D161 PolarHBondContact OD1-N 3.23Å; N159-D161 PolarHBondContact OD1-OD2 3.23Å; N159-G162 PolarHBondContact O-N 3.27Å; N159-G162 VanDerWaalsContact O-N 3.14Å
160K74.7Confident67.9Low135 Ų13581.8 Ų81.859%0.58742%0.419SS*.THydrogen-bonded Turntrans-58.6-30.9174.963173.3-173.1171.70112.8V120V120-K160 HydrophobicContact CG1-CB 3.68Å
161D66.9Low64.7Low109 Ų10984.5 Ų84.558%0.58344%0.438SS*.THydrogen-bonded Turntrans-88.5-9.3-177.7-45-59.6000111.9N159 K163N159-D161 PolarHBondContact ND2-OD2 3.03Å; N159-D161 PolarHBondContact O-N 3.36Å; N159-D161 PolarHBondContact OD1-N 3.23Å; N159-D161 PolarHBondContact OD1-OD2 3.23Å; D161-K163 PolarHBondContact O-N 2.9Å; D161-K163 VanDerWaalsContact O-N 3.15Å
162G55.1Low61.6Low19 Ų1984.3 Ų84.320%0.19644%0.435CS..  trans-69.5107.9176.500000111.6Y104 N159Y104-G162 WeakPolarHBondContact CA-O 3.36Å; Y104-G162 WeakPolarHBondContact CD1-O 3.29Å; N159-G162 PolarHBondContact O-N 3.27Å; N159-G162 VanDerWaalsContact O-N 3.14Å
163K49.6Very low58.4Low111 Ų11186.7 Ų86.748%0.48346%0.455SS..  trans-56.9143.2174.2-65.1175.1-176.1169.70110D161 L165 D336D161-K163 PolarHBondContact O-N 2.9Å; D161-K163 VanDerWaalsContact O-N 3.15Å; K163-L165 PolarHBondContact O-N 3.44Å; K163-D336 IonicContact NZ-OD2 2.92Å; K163-D336 PolarHBondContact NZ-OD2 2.95Å
164M40.9Very low55.3Low115 Ų11593.3 Ų93.357%0.56750%0.495SS*.  trans-75.6109.9178.8-178.9178.375.200109
165L36.5Very low52.2Low65 Ų6591.9 Ų91.934%0.3451%0.507SS..BIsolated β-bridgetrans-104.9106.4176.5-81.1166.1000108.6K102 K163 L167 V342K102-L165 CarbonylContact C-O 3.52Å; K102-L165 WeakPolarHBondContact CA-O 3.46Å; K102-L165 HydrophobicContact CB-CB 4.22Å; K102-L165 WeakPolarHBondContact CB-O 3.35Å; K102-L165 PolarHBondContact N-O 3.41Å; K102-L165 CarbonylContact O-C 3.57Å; K102-L165 PolarHBondContact O-N 3.25Å; K163-L165 PolarHBondContact O-N 3.44Å; L165-L167 PolarHBondContact O-N 3.49Å; L165-V342 HydrophobicContact CD1-CG1 4.4Å
166L34.4Very low49.3Very low119 Ų11988.1 Ų88.162%0.62351%0.508SS*.  trans-60.7106.5167.9-127.881.9000107.4T168L166-T168 PolarHBondContact O-N 3.14Å
167L36.1Very low46.2Very low60 Ų6089.6 Ų89.631%0.31453%0.527SS..  trans-85.987.6167-64.3-178.3000106.9K102 L107 L165 M169K102-L167 HydrophobicContact CB-CD1 4.11Å; K102-L167 HydrophobicContact CB-CG 4.06Å; K102-L167 HydrophobicContact CD-CD1 3.79Å; K102-L167 HydrophobicContact CD-CD2 4.4Å; K102-L167 HydrophobicContact CD-CG 4.22Å; K102-L167 HydrophobicContact CG-CD1 3.59Å; K102-L167 HydrophobicContact CG-CG 4.07Å; L107-L167 HydrophobicContact CD2-CD1 3.98Å; L165-L167 PolarHBondContact O-N 3.49Å; L167-M169 PolarHBondContact O-N 3.28Å
168T31.9Very low43.5Very low104 Ų10492.2 Ų92.264%0.63854%0.537SS*.  trans-56131.1144.829.60000107.2L166L166-T168 PolarHBondContact O-N 3.14Å
169M32.6Very low40.9Very low90 Ų9097.1 Ų97.144%0.44357%0.569SS.*  trans-76.9152-168.6-46.3-172-170.200108.1L90 L167L90-M169 HydrophobicContact CB-CE 3.84Å; L90-M169 HydrophobicContact CB-SD 4.04Å; L90-M169 HydrophobicContact CD1-CE 3.85Å; L90-M169 HydrophobicContact CD1-CG 3.76Å; L90-M169 HydrophobicContact CD1-SD 3.51Å; L90-M169 VanDerWaalsContact CD1-SD 3.51Å; L90-M169 HydrophobicContact CG-CE 4.16Å; L90-M169 HydrophobicContact CG-SD 3.75Å; L167-M169 PolarHBondContact O-N 3.28Å
170N35.2Very low38.7Very low81 Ų81100.9 Ų100.943%0.43359%0.588SS.*  -159.113373.5-166.419.1000112.4Y172 Y349N170-Y172 PolarHBondContact O-N 2.98Å; N170-Y349 PolarHBondContact O-OH 3.18Å
171P30.5Very low36.9Very low83 Ų8399.9 Ų99.954%0.53959%0.589SS.*  trans-78.7113.3168.630.3-33.8000112T173P171-T173 PolarHBondContact O-N 2.92Å
172Y29.9Very low35.4Very low112 Ų11299.4 Ų99.444%0.43959%0.59SS.*  trans-71.492161.3-80.3-81.1000110.8N170N170-Y172 PolarHBondContact O-N 2.98Å
173T29.5Very low34.3Very low117 Ų117102 Ų10272%0.71861%0.606SS**  trans-108.1106.1138.746.60000108.7P171P171-T173 PolarHBondContact O-N 2.92Å
174T32.2Very low33.6Very low138 Ų138102.7 Ų102.785%0.84761%0.612SS**SBendtrans61.2105.2154.3610000119.4
175G28.3Very low33.2Very low75 Ų7598.9 Ų98.977%0.77360%0.602SS**  trans112.9121.6139.900000117.4
176A31.7Very low33Very low98 Ų9899 Ų9981%0.8160%0.602SS**  trans65.386.2160.800000119.2
177S30.1Very low33Very low116 Ų11697.5 Ų97.581%0.81160%0.595SS**  trans59.7133.5135.3-52.80000121.6
178P33.6Very low33Very low99 Ų9997.7 Ų97.764%0.64361%0.605SS**  trans-88.2169.3-170.940.2-39.7000113.3
179P38.5Very low33.2Very low111 Ų11193.6 Ų93.672%0.72158%0.583SS**  -152.8173.596.942.5-25.2000117.5
180L34.8Very low33.4Very low161 Ų16193.3 Ų93.384%0.84358%0.581SS**SBendtrans90.3-36.2157.3-60.6172.8000123.6
181D36.8Very low33.7Very low114 Ų11497.4 Ų97.461%0.6159%0.59SS**THydrogen-bonded Turntrans-93.61.7-172-159.326.4000115.9S183D181-S183 PolarHBondContact O-N 2.98Å
182V34.8Very low34.1Very low99 Ų9995.2 Ų95.260%0.658%0.579SS**Hα-helixtrans-61.7-29.4178.4174.50000111.8M184 G185 L186V182-M184 PolarHBondContact O-N 3.47Å; V182-G185 PolarHBondContact O-N 3.42Å; V182-L186 HydrophobicContact CG1-CD1 4.01Å; V182-L186 WeakPolarHBondContact O-CB 3.25Å; V182-L186 PolarHBondContact O-N 2.68Å
183S31.9Very low34.6Very low75 Ų7591.6 Ų91.652%0.52457%0.567SS.*Hα-helixtrans-64.8-27-173.7-58.50000115.4D181 L186 L187D181-S183 PolarHBondContact O-N 2.98Å; S183-L186 WeakPolarHBondContact O-CB 3.48Å; S183-L187 WeakPolarHBondContact O-CG 3.26Å; S183-L187 PolarHBondContact O-N 2.69Å
184M35.4Very low35.3Very low125 Ų12594.1 Ų94.162%0.61656%0.564SS**Hα-helixtrans-84.6-33177.7-83.6-66.8-68.300112.9V182 L186 L187 A188V182-M184 PolarHBondContact O-N 3.47Å; M184-L186 VanDerWaalsContact C-N 3.34Å; M184-L187 PolarHBondContact O-N 3.33Å; M184-L187 HydrophobicContact SD-CD1 4Å; M184-A188 PolarHBondContact O-N 3.39Å
185G32.7Very low35.8Very low35 Ų3593.7 Ų93.736%0.36155%0.552SS.*Hα-helixtrans-66.4-38.9167.400000111.4V182 G189V182-G185 PolarHBondContact O-N 3.42Å; G185-G189 PolarHBondContact O-N 3.25Å
186L32.6Very low36.4Very low66 Ų6691.7 Ų91.735%0.34653%0.526SS..Hα-helixtrans-54.6-61.4164.7-116.461.2000109.8V182 S183 M184 A188 G189 E190 M350V182-L186 HydrophobicContact CG1-CD1 4.01Å; V182-L186 WeakPolarHBondContact O-CB 3.25Å; V182-L186 PolarHBondContact O-N 2.68Å; S183-L186 WeakPolarHBondContact O-CB 3.48Å; M184-L186 VanDerWaalsContact C-N 3.34Å; L186-A188 PolarHBondContact O-N 3.25Å; L186-G189 CarbonylContact O-C 3.49Å; L186-G189 PolarHBondContact O-N 3.09Å; L186-E190 HydrophobicContact CB-CG 4.2Å; L186-E190 HydrophobicContact CG-CG 4.06Å; L186-E190 WeakPolarHBondContact O-CA 3.5Å; L186-E190 WeakPolarHBondContact O-CB 3.46Å; L186-E190 WeakPolarHBondContact O-CG 3.37Å; L186-E190 PolarHBondContact O-N 2.77Å; L186-M350 HydrophobicContact CD1-CE 4.37Å
187L33.4Very low36.9Very low88 Ų8888.9 Ų88.946%0.46150%0.503SS..Hα-helixtrans-57.1-26.8-174.8-78165.7000116.3S183 M184 E190 R191S183-L187 WeakPolarHBondContact O-CG 3.26Å; S183-L187 PolarHBondContact O-N 2.69Å; M184-L187 PolarHBondContact O-N 3.33Å; M184-L187 HydrophobicContact SD-CD1 4Å; L187-E190 PolarHBondContact N-OE2 3.16Å; L187-R191 WeakPolarHBondContact O-CB 3.35Å; L187-R191 VanDerWaalsContact O-CG 3.28Å; L187-R191 WeakPolarHBondContact O-CG 2.96Å; L187-R191 PolarHBondContact O-N 3.19Å
188A36.5Very low37.6Very low65 Ų6587.7 Ų87.754%0.53749%0.487SS..Hα-helixtrans-83.1-44.417300000112.4M184 L186 R191 A192M184-A188 PolarHBondContact O-N 3.39Å; L186-A188 PolarHBondContact O-N 3.25Å; A188-R191 PolarHBondContact O-N 3.44Å; A188-R191 VanDerWaalsContact O-N 3.17Å; A188-A192 PolarHBondContact O-N 3.17Å; A188-A192 VanDerWaalsContact O-N 3.16Å
189G35.5Very low38.1Very low17 Ų1785 Ų8518%0.17547%0.469CS..Hα-helixtrans-61.1-52.9172.400000111.3G185 L186 R191 A192 L193G185-G189 PolarHBondContact O-N 3.25Å; L186-G189 CarbonylContact O-C 3.49Å; L186-G189 PolarHBondContact O-N 3.09Å; G189-R191 PolarHBondContact O-N 2.75Å; G189-A192 PolarHBondContact O-N 3.19Å; G189-L193 WeakPolarHBondContact O-CA 3.34Å; G189-L193 WeakPolarHBondContact O-CB 3.22Å; G189-L193 WeakPolarHBondContact O-CD1 3.1Å; G189-L193 WeakPolarHBondContact O-CG 3.4Å; G189-L193 PolarHBondContact O-N 3.23Å
190E37.6Very low38.5Very low85 Ų8580.3 Ų80.340%0.39744%0.438SS..Hα-helixtrans-56.7-17.4168.8-66.8175147.400114.3L186 L187 R194L186-E190 HydrophobicContact CB-CG 4.2Å; L186-E190 HydrophobicContact CG-CG 4.06Å; L186-E190 WeakPolarHBondContact O-CA 3.5Å; L186-E190 WeakPolarHBondContact O-CB 3.46Å; L186-E190 WeakPolarHBondContact O-CG 3.37Å; L186-E190 PolarHBondContact O-N 2.77Å; L187-E190 PolarHBondContact N-OE2 3.16Å; E190-R194 WeakPolarHBondContact O-CA 2.95Å; E190-R194 WeakPolarHBondContact O-CB 3.35Å; E190-R194 WeakPolarHBondContact O-CG 3.12Å; E190-R194 PolarHBondContact O-N 3.38Å
191R41.7Very low39Very low167 Ų16774.7 Ų74.763%0.6341%0.413SS*.Hα-helixtrans-81.1-52167.8-89.9-179.2-162.1175.47.1111.4L187 A188 G189 L193 R194 E195L187-R191 WeakPolarHBondContact O-CB 3.35Å; L187-R191 VanDerWaalsContact O-CG 3.28Å; L187-R191 WeakPolarHBondContact O-CG 2.96Å; L187-R191 PolarHBondContact O-N 3.19Å; A188-R191 PolarHBondContact O-N 3.44Å; A188-R191 VanDerWaalsContact O-N 3.17Å; G189-R191 PolarHBondContact O-N 2.75Å; R191-L193 PolarHBondContact O-N 2.94Å; R191-R194 CarbonylContact O-C 3.54Å; R191-R194 PolarHBondContact O-N 3.49Å; R191-R194 VanDerWaalsContact O-N 3.09Å; R191-E195 WeakPolarHBondContact O-CB 3.45Å; R191-E195 WeakPolarHBondContact O-CG 3.33Å; R191-E195 PolarHBondContact O-N 3.32Å
192A39.1Very low39.4Very low37 Ų3774.2 Ų74.231%0.30641%0.414SS..Hα-helixtrans-60-38.4173.600000111.4A188 G189 E195 C196A188-A192 PolarHBondContact O-N 3.17Å; A188-A192 VanDerWaalsContact O-N 3.16Å; G189-A192 PolarHBondContact O-N 3.19Å; A192-E195 PolarHBondContact O-N 3.28Å; A192-C196 VanDerWaalsContact O-CB 3.26Å; A192-C196 WeakPolarHBondContact O-CB 3.4Å; A192-C196 PolarHBondContact O-N 3.5Å; A192-C196 PolarHBondContact O-SG 2.99Å; A192-C196 VanDerWaalsContact O-SG 3.4Å
193L40.4Very low39.6Very low35 Ų3570.9 Ų70.918%0.18340%0.396CS..Hα-helixtrans-79-23175-62.8164.8000112.3G189 R191 A197 I319 A323G189-L193 WeakPolarHBondContact O-CA 3.34Å; G189-L193 WeakPolarHBondContact O-CB 3.22Å; G189-L193 WeakPolarHBondContact O-CD1 3.1Å; G189-L193 WeakPolarHBondContact O-CG 3.4Å; G189-L193 PolarHBondContact O-N 3.23Å; R191-L193 PolarHBondContact O-N 2.94Å; L193-A197 VanDerWaalsContact O-CA 3.25Å; L193-A197 WeakPolarHBondContact O-CA 3.46Å; L193-A197 WeakPolarHBondContact O-CB 3.47Å; L193-A197 PolarHBondContact O-N 3.24Å; L193-I319 HydrophobicContact CB-CG2 3.94Å; L193-I319 HydrophobicContact CD1-CG2 3.61Å; L193-I319 HydrophobicContact CD2-CG2 3.63Å; L193-I319 HydrophobicContact CG-CG2 3.9Å; L193-A323 HydrophobicContact CD2-CB 3.72Å
194R43.7Very low40.2Very low170 Ų17067.6 Ų67.664%0.64237%0.373SS*.Hα-helixtrans-75.9-34.7164.1-92.5173.7150.5-110-1.1111.4E190 R191 N198E190-R194 WeakPolarHBondContact O-CA 2.95Å; E190-R194 WeakPolarHBondContact O-CB 3.35Å; E190-R194 WeakPolarHBondContact O-CG 3.12Å; E190-R194 PolarHBondContact O-N 3.38Å; R191-R194 CarbonylContact O-C 3.54Å; R191-R194 PolarHBondContact O-N 3.49Å; R191-R194 VanDerWaalsContact O-N 3.09Å; R194-N198 WeakPolarHBondContact O-CA 3.45Å; R194-N198 WeakPolarHBondContact O-CB 3.13Å; R194-N198 PolarHBondContact O-N 2.69Å; R194-N198 PolarHBondContact O-ND2 3.15Å; R194-N198 PolarHBondContact O-OD1 3.3Å
195E42.1Very low40.6Very low130 Ų13064.2 Ų64.261%0.60736%0.362SS*.Hα-helixtrans-70.1-50.1177.9-73.3163.1-165.400109R191 A192 N198 V199R191-E195 WeakPolarHBondContact O-CB 3.45Å; R191-E195 WeakPolarHBondContact O-CG 3.33Å; R191-E195 PolarHBondContact O-N 3.32Å; A192-E195 PolarHBondContact O-N 3.28Å; E195-N198 PolarHBondContact O-N 3.26Å; E195-V199 WeakPolarHBondContact O-CG2 3.49Å; E195-V199 PolarHBondContact O-N 2.98Å
196C42.5Very low40.8Very low32 Ų3265 Ų6522%0.21637%0.365CS..Hα-helixtrans-69.8-36.3173.7-67.30000113.5A192 V199 V200 L326A192-C196 VanDerWaalsContact O-CB 3.26Å; A192-C196 WeakPolarHBondContact O-CB 3.4Å; A192-C196 PolarHBondContact O-N 3.5Å; A192-C196 PolarHBondContact O-SG 2.99Å; A192-C196 VanDerWaalsContact O-SG 3.4Å; C196-V199 WeakPolarHBondContact O-CB 3.35Å; C196-V199 PolarHBondContact O-N 3.03Å; C196-V200 WeakPolarHBondContact O-CB 3.24Å; C196-V200 VanDerWaalsContact O-CG2 3.23Å; C196-V200 WeakPolarHBondContact O-CG2 3.23Å; C196-V200 PolarHBondContact O-N 3.31Å; C196-L326 HydrophobicContact CB-CD2 4.12Å
197A42.3Very low41.3Very low40 Ų4063.8 Ų63.833%0.33136%0.357SS..Hα-helixtrans-81.5-14.3172.800000113.3L193 S201L193-A197 VanDerWaalsContact O-CA 3.25Å; L193-A197 WeakPolarHBondContact O-CA 3.46Å; L193-A197 WeakPolarHBondContact O-CB 3.47Å; L193-A197 PolarHBondContact O-N 3.24Å; A197-S201 VanDerWaalsContact O-CA 3.24Å; A197-S201 WeakPolarHBondContact O-CA 3.46Å; A197-S201 WeakPolarHBondContact O-CB 3.38Å; A197-S201 PolarHBondContact O-N 3.19Å
198N44Very low41.5Very low90 Ų9061.9 Ų61.948%0.48135%0.351SS..Hα-helixtrans-73.2-45.2163.3-76.5-11.1000108.6R194 E195 S201 V202R194-N198 WeakPolarHBondContact O-CA 3.45Å; R194-N198 WeakPolarHBondContact O-CB 3.13Å; R194-N198 PolarHBondContact O-N 2.69Å; R194-N198 PolarHBondContact O-ND2 3.15Å; R194-N198 PolarHBondContact O-OD1 3.3Å; E195-N198 PolarHBondContact O-N 3.26Å; N198-S201 PolarHBondContact O-N 3.4Å; N198-V202 WeakPolarHBondContact O-CA 3.42Å; N198-V202 WeakPolarHBondContact O-CB 3.23Å; N198-V202 WeakPolarHBondContact O-CG2 3.12Å; N198-V202 PolarHBondContact O-N 2.85Å
199V44.5Very low41.5Very low44 Ų4462 Ų6227%0.26735%0.348SS..Hα-helixtrans-55.1-55.6171.6155.20000111.3E195 C196 V202 A203 L251 Y406E195-V199 WeakPolarHBondContact O-CG2 3.49Å; E195-V199 PolarHBondContact O-N 2.98Å; C196-V199 WeakPolarHBondContact O-CB 3.35Å; C196-V199 PolarHBondContact O-N 3.03Å; V199-V202 PolarHBondContact O-N 3.26Å; V199-A203 PolarHBondContact O-N 2.9Å; V199-A203 VanDerWaalsContact O-N 3.16Å; V199-L251 HydrophobicContact CG1-CD1 3.94Å; V199-L251 HydrophobicContact CG1-CD2 3.79Å; V199-L251 HydrophobicContact CG1-CG 4.44Å; V199-Y406 WeakPolarHBondContact CG1-OH 3.3Å; V199-Y406 WeakPolarHBondContact CG2-OH 2.8Å
200V45.5Very low41.5Very low12 Ų1264.4 Ų64.47%0.07336%0.356CS..Hα-helixtrans-68.3-41.3-179.1174.10000110.8C196 V204 L258 K322C196-V200 WeakPolarHBondContact O-CB 3.24Å; C196-V200 VanDerWaalsContact O-CG2 3.23Å; C196-V200 WeakPolarHBondContact O-CG2 3.23Å; C196-V200 PolarHBondContact O-N 3.31Å; V200-V204 HydrophobicContact CG1-CG2 4.21Å; V200-V204 WeakPolarHBondContact O-CB 2.82Å; V200-V204 WeakPolarHBondContact O-CG2 3.25Å; V200-V204 PolarHBondContact O-N 3.46Å; V200-L258 HydrophobicContact CG1-CB 4.43Å; V200-L258 HydrophobicContact CG1-CD2 4.45Å; V200-L258 HydrophobicContact CG2-CD1 4.03Å; V200-L258 HydrophobicContact CG2-CD2 4.09Å; V200-K322 HydrophobicContact CG1-CD 4.39Å
201S46.2Very low41.4Very low43 Ų4362.3 Ų62.330%0.30136%0.357SS..Hα-helixtrans-74.7-25.3178.5-1620000113.5A197 N198 S205A197-S201 VanDerWaalsContact O-CA 3.24Å; A197-S201 WeakPolarHBondContact O-CA 3.46Å; A197-S201 WeakPolarHBondContact O-CB 3.38Å; A197-S201 PolarHBondContact O-N 3.19Å; N198-S201 PolarHBondContact O-N 3.4Å; S201-S205 WeakPolarHBondContact O-CA 3.14Å; S201-S205 WeakPolarHBondContact O-CB 3.48Å; S201-S205 PolarHBondContact O-N 3.44Å; S201-S205 PolarHBondContact O-OG 2.86Å
202V44.4Very low41Very low104 Ų10458.4 Ų58.463%0.6335%0.352SS*.Hα-helixtrans-70.7-48.8172.5164.70000109N198 V199 V204 S205 A206N198-V202 WeakPolarHBondContact O-CA 3.42Å; N198-V202 WeakPolarHBondContact O-CB 3.23Å; N198-V202 WeakPolarHBondContact O-CG2 3.12Å; N198-V202 PolarHBondContact O-N 2.85Å; V199-V202 PolarHBondContact O-N 3.26Å; V202-V204 PolarHBondContact O-N 3.38Å; V202-S205 PolarHBondContact O-N 2.97Å; V202-A206 WeakPolarHBondContact O-CB 3.31Å; V202-A206 PolarHBondContact O-N 2.88Å
203A39.9Very low40.6Very low28 Ų2862.4 Ų62.423%0.23137%0.368CS..Hα-helixtrans-56.3-52.2172.900000111V199 S205 A206 F207V199-A203 PolarHBondContact O-N 2.9Å; V199-A203 VanDerWaalsContact O-N 3.16Å; A203-S205 PolarHBondContact O-N 3.25Å; A203-A206 WeakPolarHBondContact O-CB 3.38Å; A203-A206 PolarHBondContact O-N 3.21Å; A203-F207 HydrophobicContact CB-CE2 4.08Å; A203-F207 WeakPolarHBondContact O-CD2 3.26Å; A203-F207 WeakPolarHBondContact O-CE2 3.47Å; A203-F207 WeakPolarHBondContact O-CG 3.23Å; A203-F207 PolarHBondContact O-N 3.17Å
204V44.5Very low40.1Very low7 Ų767 Ų674%0.04239%0.393CS..Hα-helixtrans-60.1-41.6176.9143.80000114.4V200 V202 F207 S208 K262V200-V204 HydrophobicContact CG1-CG2 4.21Å; V200-V204 WeakPolarHBondContact O-CB 2.82Å; V200-V204 WeakPolarHBondContact O-CG2 3.25Å; V200-V204 PolarHBondContact O-N 3.46Å; V202-V204 PolarHBondContact O-N 3.38Å; V204-F207 CarbonylContact O-C 3.54Å; V204-F207 PolarHBondContact O-N 2.93Å; V204-S208 WeakPolarHBondContact O-CB 3.38Å; V204-S208 PolarHBondContact O-N 3.42Å; V204-S208 PolarHBondContact O-OG 3.5Å; V204-K262 HydrophobicContact CB-CD 4.47Å; V204-K262 HydrophobicContact CB-CG 4.06Å; V204-K262 HydrophobicContact CG1-CB 4.39Å; V204-K262 HydrophobicContact CG1-CD 3.5Å; V204-K262 HydrophobicContact CG1-CG 3.38Å; V204-K262 HydrophobicContact CG2-CB 3.6Å; V204-K262 HydrophobicContact CG2-CD 4.27Å; V204-K262 HydrophobicContact CG2-CG 3.54Å
205S43.4Very low39.6Very low54 Ų5466 Ų6638%0.37840%0.399SS..Hα-helixtrans-75.5-33-176.6-75.10000110S201 V202 A203 F207 S208 S209S201-S205 WeakPolarHBondContact O-CA 3.14Å; S201-S205 WeakPolarHBondContact O-CB 3.48Å; S201-S205 PolarHBondContact O-N 3.44Å; S201-S205 PolarHBondContact O-OG 2.86Å; V202-S205 PolarHBondContact O-N 2.97Å; A203-S205 PolarHBondContact O-N 3.25Å; S205-F207 VanDerWaalsContact C-N 3.34Å; S205-S208 PolarHBondContact O-N 3.33Å; S205-S209 WeakPolarHBondContact O-CB 3.43Å; S205-S209 PolarHBondContact O-N 2.89Å; S205-S209 PolarHBondContact O-OG 3.36Å
206A36.4Very low39Very low52 Ų5264 Ų6443%0.4340%0.404SS..Hα-helixtrans-56.3-50164.300000110.4V202 A203 S208 S209 I210V202-A206 WeakPolarHBondContact O-CB 3.31Å; V202-A206 PolarHBondContact O-N 2.88Å; A203-A206 WeakPolarHBondContact O-CB 3.38Å; A203-A206 PolarHBondContact O-N 3.21Å; A206-S208 PolarHBondContact O-N 3.24Å; A206-S209 PolarHBondContact O-N 3.47Å; A206-I210 VanDerWaalsContact O-CD1 3.25Å; A206-I210 WeakPolarHBondContact O-CD1 3.47Å; A206-I210 VanDerWaalsContact O-CG1 3.23Å; A206-I210 WeakPolarHBondContact O-CG1 3.33Å; A206-I210 PolarHBondContact O-N 2.72Å
207F42.9Very low38.3Very low40 Ų4068 Ų6818%0.17543%0.433CS..Hα-helixtrans-65.2-33.9178.3-55.7-38.8000114.2A203 V204 S205 F259 F389 M398A203-F207 HydrophobicContact CB-CE2 4.08Å; A203-F207 WeakPolarHBondContact O-CD2 3.26Å; A203-F207 WeakPolarHBondContact O-CE2 3.47Å; A203-F207 WeakPolarHBondContact O-CG 3.23Å; A203-F207 PolarHBondContact O-N 3.17Å; V204-F207 CarbonylContact O-C 3.54Å; V204-F207 PolarHBondContact O-N 2.93Å; S205-F207 VanDerWaalsContact C-N 3.34Å; F207-F259 HydrophobicContact CD2-CD2 4.3Å; F207-F389 HydrophobicContact CB-CE1 3.93Å; F207-F389 HydrophobicContact CB-CZ 4.13Å; F207-F389 HydrophobicContact CD1-CD1 4.22Å; F207-F389 AromaticContact CD1-CE1 3.33Å; F207-F389 HydrophobicContact CD1-CE1 3.33Å; F207-F389 AromaticContact CD1-CZ 3.87Å; F207-F389 HydrophobicContact CD1-CZ 3.87Å; F207-F389 HydrophobicContact CD2-CE1 4.31Å; F207-F389 HydrophobicContact CD2-CZ 4.02Å; F207-F389 HydrophobicContact CE1-CD1 4.48Å; F207-F389 AromaticContact CE1-CE1 3.85Å; F207-F389 HydrophobicContact CE1-CE1 3.85Å; F207-F389 HydrophobicContact CE1-CZ 4.26Å; F207-F389 HydrophobicContact CE2-CZ 4.41Å; F207-F389 AromaticContact CG-CE1 3.6Å; F207-F389 HydrophobicContact CG-CE1 3.6Å; F207-F389 AromaticContact CG-CZ 3.74Å; F207-F389 HydrophobicContact CG-CZ 3.74Å; F207-M398 HydrophobicContact CE1-CE 3.95Å; F207-M398 HydrophobicContact CE1-SD 4.13Å; F207-M398 HydrophobicContact CZ-CE 3.95Å; F207-M398 HydrophobicContact CZ-SD 3.77Å
208S38.1Very low37.5Very low48 Ų4870.9 Ų70.934%0.33646%0.457SS..Hα-helixtrans-74.7-35.9-179.2-54.30000112.3V204 S205 A206 G211 T212V204-S208 WeakPolarHBondContact O-CB 3.38Å; V204-S208 PolarHBondContact O-N 3.42Å; V204-S208 PolarHBondContact O-OG 3.5Å; S205-S208 PolarHBondContact O-N 3.33Å; A206-S208 PolarHBondContact O-N 3.24Å; S208-G211 PolarHBondContact O-N 3.05Å; S208-T212 PolarHBondContact O-OG1 3.33Å
209S36.7Very low36.8Very low67 Ų6773.2 Ų73.247%0.46947%0.469SS..Hα-helixtrans-68.2-38.4176.8-61.80000112.4S205 A206 G211 T212S205-S209 WeakPolarHBondContact O-CB 3.43Å; S205-S209 PolarHBondContact O-N 2.89Å; S205-S209 PolarHBondContact O-OG 3.36Å; A206-S209 PolarHBondContact O-N 3.47Å; S209-G211 PolarHBondContact O-N 2.91Å; S209-T212 PolarHBondContact O-N 2.74Å
210I36.1Very low36.1Very low67 Ų6777 Ų7734%0.34449%0.493SS..Hα-helixtrans-64.2-27.9178-64.7161.5000111.8A206 V392A206-I210 VanDerWaalsContact O-CD1 3.25Å; A206-I210 WeakPolarHBondContact O-CD1 3.47Å; A206-I210 VanDerWaalsContact O-CG1 3.23Å; A206-I210 WeakPolarHBondContact O-CG1 3.33Å; A206-I210 PolarHBondContact O-N 2.72Å; I210-V392 HydrophobicContact CD1-CG1 4.13Å; I210-V392 HydrophobicContact CG2-CG2 3.68Å
211G34.1Very low35.4Very low42 Ų4282.2 Ų82.243%0.43353%0.529SS..THydrogen-bonded Turntrans-84.10.3-178.900000116.4S208 S209S208-G211 PolarHBondContact O-N 3.05Å; S209-G211 PolarHBondContact O-N 2.91Å
212T33.6Very low34.6Very low85 Ų8589.3 Ų89.352%0.52156%0.555SS.*THydrogen-bonded Turntrans-137.7-19-169.846.50000117.8S208 S209 M275S208-T212 PolarHBondContact O-OG1 3.33Å; S209-T212 PolarHBondContact O-N 2.74Å; T212-M275 HydrophobicContact CG2-CE 4.12Å
213N30.4Very low34Very low120 Ų12091.6 Ų91.664%0.64256%0.564SS**SBendtrans-119.8-8.6-167.5-71.4-32.5000117.5
214D31.6Very low33.4Very low133 Ų13398.4 Ų98.471%0.71159%0.591SS**SBendtrans-104.811.7-170.4-69.7-41.3000116.1
215I31.4Very low32.5Very low147 Ų147106.6 Ų106.675%0.75463%0.626SS**SBendtrans-97.83178.9-54-178.5000112.1
216A29.6Very low31.9Very low88 Ų88111.8 Ų111.873%0.72764%0.644SS**SBendtrans-122.935.9-17500000114.4
217S28.2Very low31.6Very low117 Ų117114.2 Ų114.282%0.81866%0.658SS**  trans-161.475.6161-82.20000111.5D219S217-D219 PolarHBondContact O-N 2.86Å
218A26.4Very low31.1Very low100 Ų100117.4 Ų117.483%0.82668%0.683SS**  trans-79.595.9157.800000108.5
219D28.8Very low30.7Very low140 Ų140121.1 Ų121.175%0.74970%0.699SS**  trans-162.2121.3141.2-119.3-36.6000115.2S217S217-D219 PolarHBondContact O-N 2.86Å
220T29.8Very low30.4Very low123 Ų123126.6 Ų126.676%0.75572%0.717SS**  trans3299.4133.1-48.10000119.6
221S31.5Very low30.2Very low121 Ų121129.8 Ų129.885%0.84674%0.74SS**  -161134.5125.56.10000113.4
222K28.5Very low29.9Very low193 Ų193134.9 Ų134.984%0.83976%0.757SS**  trans-82.3142.9161.5-61.7167.6-179.9171.20108.1
223N31.1Very low29.8Very low151 Ų151139.7 Ų139.781%0.80777%0.773SS**  trans171.8119.6145.6-83.2-18.1000105.9
224Q28.4Very low30Very low171 Ų171142.9 Ų142.980%0.79978%0.784SS**  cis98.4123.647.5-176.4167.118.700111.5
225F26Very low30Very low179 Ų179146.1 Ų146.179%0.78579%0.792SS**  trans70.4149.7177.8-124.9-136000114.4
226E30Very low30Very low163 Ų163145.2 Ų145.276%0.76279%0.793SS**  cis-152.8159.529.9-171.1156.3-120.700111.2
227S29.7Very low30Very low103 Ų103151.5 Ų151.572%0.7280%0.798SS**  trans-140.9126.1180161.50000111.1
228P32.8Very low30.1Very low107 Ų107153.8 Ų153.870%0.69580%0.801SS**  trans-128.4114.1162.121.10.3000114.2
229D30.7Very low30.2Very low127 Ų127153.1 Ų153.168%0.67980%0.795SS**  56.2118.4123.9-59.3-49.7000123.9
230Q29.4Very low30.3Very low182 Ų182152.8 Ų152.885%0.8579%0.794SS**  49.590.9129.4-55.8-162.434.600119.9
231V33Very low30.2Very low134 Ų134155 Ų15581%0.81279%0.788SS**  trans-132.289.3153-174.60000111.3E233V231-E233 PolarHBondContact O-N 3.04Å
232N27.9Very low30.3Very low149 Ų149154.5 Ų154.580%0.79778%0.776SS**  trans31.381.8156.7-72.9-33.6000118.7H234N232-H234 PolarHBondContact O-N 3.09Å
233E31.3Very low30.9Very low185 Ų185149.9 Ų149.986%0.86476%0.764SS**THydrogen-bonded Turntrans-65-1.2177.1-71.9179.6104.300116.4V231V231-E233 PolarHBondContact O-N 3.04Å
234H34.7Very low32Very low188 Ų188147.4 Ų147.487%0.8775%0.746SS**THydrogen-bonded Turntrans-103.213.7-163.7-96.2-79.3000117.2N232N232-H234 PolarHBondContact O-N 3.09Å
235K30.8Very low33.5Very low200 Ų200141 Ų14187%0.8772%0.72SS**SBendtrans-138.111.2-175.1-144.5167.8-177.9173.50118.2
236V32.1Very low35.4Very low129 Ų129133.8 Ų133.878%0.78269%0.691SS**SBendtrans-116.511.7-173.2-164.80000113.3
237R29.9Very low37.3Very low219 Ų219130.6 Ų130.683%0.82668%0.676SS**SBendtrans-91.7-14.6-169.9-66.1-174.972.5174.11.9116.5
238D30.1Very low39.6Very low165 Ų165126.5 Ų126.588%0.88265%0.646SS**SBendtrans-115.49.4-162.1-59.2-42.2000116.1
239A28.2Very low42Very low86 Ų86122.9 Ų122.971%0.71162%0.62SS**SBendtrans-138.2141.117500000112.7W241A239-W241 PolarHBondContact O-N 3.31Å
240D29.8Very low44.4Very low134 Ų134117.5 Ų117.572%0.71759%0.591SS**SBendtrans66.65.5169.6-96.6-12.8000122N242D240-N242 PolarHBondContact O-N 3.39Å
241W28.7Very low47Very low168 Ų168109.5 Ų109.564%0.63655%0.554SS**THydrogen-bonded Turntrans-64.912.1172-157.2-100.7000115.5A239 K407A239-W241 PolarHBondContact O-N 3.31Å; W241-K407 HydrophobicContact CH2-CG 4.34Å; W241-K407 HydrophobicContact CZ2-CG 4.21Å
242N33.8Very low49.4Very low112 Ų112105.8 Ų105.860%0.59953%0.528SS*.THydrogen-bonded Turntrans-104-10.1-164.1-86.9-53.8000116.2D240 K335D240-N242 PolarHBondContact O-N 3.39Å; N242-K335 PolarHBondContact O-NZ 3.18Å; N242-K335 PolarHBondContact OD1-NZ 3.21Å
243V40Very low52.2Low95 Ų95103 Ų10358%0.57651%0.511SS*.SBendtrans-91.8-37.4-179.3-176.30000112.6P245V243-P245 VanDerWaalsContact C-CD 3.44Å
244F53.8Low54.9Low100 Ų10094.2 Ų94.244%0.43947%0.47SS..SBendtrans-64.5-34.3-175.4-61.5-78.3000117.5S246 Q247 I248F244-S246 VanDerWaalsContact C-N 3.31Å; F244-S246 PolarHBondContact O-N 3.46Å; F244-S246 VanDerWaalsContact O-N 3.17Å; F244-Q247 PolarHBondContact O-N 2.95Å; F244-I248 PolarHBondContact O-N 3.14Å
245P61.2Low57.4Low37 Ų3786 Ų8624%0.2443%0.431CS..Hα-helixtrans-55.5-41.7-171-29.736.1000114.3V243 Q247 I248 I249V243-P245 VanDerWaalsContact C-CD 3.44Å; P245-Q247 VanDerWaalsContact C-N 3.3Å; P245-Q247 PolarHBondContact O-N 2.83Å; P245-I248 PolarHBondContact O-N 3.2Å; P245-I249 WeakPolarHBondContact O-CB 3.5Å; P245-I249 WeakPolarHBondContact O-CD1 3.31Å; P245-I249 VanDerWaalsContact O-CG1 3.23Å; P245-I249 WeakPolarHBondContact O-CG1 3.48Å; P245-I249 PolarHBondContact O-N 2.79Å
246S64.7Low60.2Low26 Ų2677.2 Ų77.218%0.18239%0.393CS..Hα-helixtrans-64.3-32.2-179.5-55.60000113.1F244 L250F244-S246 VanDerWaalsContact C-N 3.31Å; F244-S246 PolarHBondContact O-N 3.46Å; F244-S246 VanDerWaalsContact O-N 3.17Å; S246-L250 VanDerWaalsContact O-CG 3.26Å; S246-L250 WeakPolarHBondContact O-CG 3.2Å; S246-L250 PolarHBondContact O-N 3.06Å
247Q70.5Confident63Low97 Ų9771.1 Ų71.145%0.45336%0.357SS..Hα-helixtrans-73.2-43.2-179.9-67.8-179.3-13.700111.4F244 P245 L250 L251F244-Q247 PolarHBondContact O-N 2.95Å; P245-Q247 VanDerWaalsContact C-N 3.3Å; P245-Q247 PolarHBondContact O-N 2.83Å; Q247-L250 PolarHBondContact O-N 3.4Å; Q247-L251 WeakPolarHBondContact O-CG 3.26Å; Q247-L251 PolarHBondContact O-N 3.32Å; Q247-L251 VanDerWaalsContact O-N 3.13Å
248I77.6Confident65.7Low17 Ų1761 Ų619%0.08732%0.319CS..Hα-helixtrans-62.2-47.2177.2-60.3175.4000109.8F244 P245 L250 L251 E252 Y406F244-I248 PolarHBondContact O-N 3.14Å; P245-I248 PolarHBondContact O-N 3.2Å; I248-L250 PolarHBondContact O-N 3.48Å; I248-L251 PolarHBondContact O-N 3.45Å; I248-L251 VanDerWaalsContact O-N 3.09Å; I248-E252 HydrophobicContact CG2-CG 4.04Å; I248-E252 WeakPolarHBondContact CG2-OE1 3.34Å; I248-E252 WeakPolarHBondContact O-CG 3.33Å; I248-E252 PolarHBondContact O-N 3.33Å; I248-Y406 HydrophobicContact CG1-CD1 4.41Å; I248-Y406 HydrophobicContact CG1-CG 4.1Å
249I83.4Confident68.3Low30 Ų3054.4 Ų54.415%0.15428%0.282CS..Hα-helixtrans-54.6-47.5176.6-71.8164000111.8P245 L251 E252 E253 A331 R332 L334P245-I249 WeakPolarHBondContact O-CB 3.5Å; P245-I249 WeakPolarHBondContact O-CD1 3.31Å; P245-I249 VanDerWaalsContact O-CG1 3.23Å; P245-I249 WeakPolarHBondContact O-CG1 3.48Å; P245-I249 PolarHBondContact O-N 2.79Å; I249-L251 VanDerWaalsContact C-N 3.3Å; I249-L251 PolarHBondContact O-N 2.94Å; I249-E252 PolarHBondContact O-N 2.76Å; I249-E253 WeakPolarHBondContact O-CB 3.17Å; I249-E253 VanDerWaalsContact O-CG 3.31Å; I249-E253 WeakPolarHBondContact O-CG 3.38Å; I249-E253 PolarHBondContact O-N 3.5Å; I249-A331 HydrophobicContact CG2-CB 3.87Å; I249-R332 WeakPolarHBondContact CG2-O 3.35Å; I249-L334 HydrophobicContact CG2-CD2 4.18Å; I249-L334 HydrophobicContact CG2-CG 4.46Å
250L82Confident71.2Confident14 Ų1450.3 Ų50.37%0.07325%0.249CC..Hα-helixtrans-65.2-33.9179.8-67.8173.1000112.3S246 Q247 I248 S254 L326 F327 R328 A331 L334 V340S246-L250 VanDerWaalsContact O-CG 3.26Å; S246-L250 WeakPolarHBondContact O-CG 3.2Å; S246-L250 PolarHBondContact O-N 3.06Å; Q247-L250 PolarHBondContact O-N 3.4Å; I248-L250 PolarHBondContact O-N 3.48Å; L250-S254 WeakPolarHBondContact O-CB 3.21Å; L250-S254 PolarHBondContact O-N 3.03Å; L250-S254 PolarHBondContact O-OG 3.47Å; L250-L326 HydrophobicContact CB-CD1 3.86Å; L250-L326 WeakPolarHBondContact CD2-O 3.41Å; L250-F327 HydrophobicContact CD1-CD1 4.47Å; L250-R328 HydrophobicContact CD2-CB 4.37Å; L250-A331 HydrophobicContact CD2-CB 4.12Å; L250-L334 HydrophobicContact CD1-CD2 4.48Å; L250-L334 HydrophobicContact CD2-CD1 4.19Å; L250-L334 HydrophobicContact CD2-CD2 4.02Å; L250-L334 HydrophobicContact CG-CD2 4.01Å; L250-V340 HydrophobicContact CD1-CG1 4.24Å; L250-V340 HydrophobicContact CD1-CG2 4.15Å; L250-V340 HydrophobicContact CD2-CG1 4.03Å
251L83.1Confident74Confident14 Ų1444 Ų447%0.07321%0.214CC..Hα-helixtrans-73.2-47.1176.1-70.9168.2000111.8V199 Q247 I248 I249 E253 S254 W255 L258 L326 Y406V199-L251 HydrophobicContact CG1-CD1 3.94Å; V199-L251 HydrophobicContact CG1-CD2 3.79Å; V199-L251 HydrophobicContact CG1-CG 4.44Å; Q247-L251 WeakPolarHBondContact O-CG 3.26Å; Q247-L251 PolarHBondContact O-N 3.32Å; Q247-L251 VanDerWaalsContact O-N 3.13Å; I248-L251 PolarHBondContact O-N 3.45Å; I248-L251 VanDerWaalsContact O-N 3.09Å; I249-L251 VanDerWaalsContact C-N 3.3Å; I249-L251 PolarHBondContact O-N 2.94Å; L251-E253 VanDerWaalsContact C-N 3.25Å; L251-E253 PolarHBondContact O-N 3.15Å; L251-S254 PolarHBondContact O-N 3.4Å; L251-S254 VanDerWaalsContact O-N 3.1Å; L251-W255 WeakPolarHBondContact O-CB 3.44Å; L251-W255 PolarHBondContact O-N 3.39Å; L251-L258 HydrophobicContact CD2-CD1 4.26Å; L251-L326 HydrophobicContact CD2-CD1 3.96Å; L251-L326 HydrophobicContact CG-CD1 4.37Å; L251-Y406 HydrophobicContact CD1-CD2 4.28Å; L251-Y406 HydrophobicContact CD1-CE1 4.17Å; L251-Y406 HydrophobicContact CD1-CE2 3.55Å; L251-Y406 VanDerWaalsContact CD1-CZ 3.5Å
252E83.8Confident76.5Confident56 Ų5638 Ų3826%0.26219%0.193SC..Hα-helixtrans-56.6-39.2175.8-71.3174.6164.500111.2I248 I249 S254 E399 C403I248-E252 HydrophobicContact CG2-CG 4.04Å; I248-E252 WeakPolarHBondContact CG2-OE1 3.34Å; I248-E252 WeakPolarHBondContact O-CG 3.33Å; I248-E252 PolarHBondContact O-N 3.33Å; I249-E252 PolarHBondContact O-N 2.76Å; E252-S254 PolarHBondContact O-N 2.73Å; E252-E399 HydrophobicContact CB-CB 4.45Å; E252-E399 HydrophobicContact CB-CG 4.22Å; E252-E399 HydrophobicContact CG-CB 4.05Å; E252-E399 HydrophobicContact CG-CG 4.36Å; E252-C403 PolarHBondContact OE1-SG 2.8Å
253E86.9Confident78.6Confident92 Ų9233.2 Ų33.243%0.4317%0.167SC..THydrogen-bonded Turntrans-81.1-1.8178.7-70.2-81.7169.400115.2I249 L251 R328 A331I249-E253 WeakPolarHBondContact O-CB 3.17Å; I249-E253 VanDerWaalsContact O-CG 3.31Å; I249-E253 WeakPolarHBondContact O-CG 3.38Å; I249-E253 PolarHBondContact O-N 3.5Å; L251-E253 VanDerWaalsContact C-N 3.25Å; L251-E253 PolarHBondContact O-N 3.15Å; E253-R328 VanDerWaalsContact O-CZ 3.32Å; E253-R328 PolarHBondContact O-NH1 2.85Å; E253-A331 HydrophobicContact CG-CB 4.25Å
254S88.3Confident80.8Confident0 Ų028.7 Ų28.70%014%0.14CC..THydrogen-bonded Turntrans-144.80.3-175.270.80000116.9L250 L251 E252 N256 D257 L258 A325L250-S254 WeakPolarHBondContact O-CB 3.21Å; L250-S254 PolarHBondContact O-N 3.03Å; L250-S254 PolarHBondContact O-OG 3.47Å; L251-S254 PolarHBondContact O-N 3.4Å; L251-S254 VanDerWaalsContact O-N 3.1Å; E252-S254 PolarHBondContact O-N 2.73Å; S254-N256 VanDerWaalsContact C-N 3.26Å; S254-N256 PolarHBondContact O-N 2.84Å; S254-D257 PolarHBondContact O-N 2.7Å; S254-D257 VanDerWaalsContact O-N 3.16Å; S254-L258 VanDerWaalsContact O-CG 3.29Å; S254-L258 WeakPolarHBondContact O-CG 3.22Å; S254-L258 PolarHBondContact O-N 2.72Å; S254-L258 VanDerWaalsContact OG-CD1 3.3Å; S254-L258 WeakPolarHBondContact OG-CD1 3.31Å; S254-A325 WeakPolarHBondContact CB-O 3.2Å
255W86.4Confident82.2Confident14 Ų1425 Ų255%0.05312%0.124CC..Hα-helixtrans-58-36.8-174.374.7-96000113.3L251 L258 F259 P381 I384 E385 F389 M398 E399 L402L251-W255 WeakPolarHBondContact O-CB 3.44Å; L251-W255 PolarHBondContact O-N 3.39Å; W255-L258 PolarHBondContact O-N 2.67Å; W255-F259 VanDerWaalsContact O-CB 3.28Å; W255-F259 WeakPolarHBondContact O-CB 3.49Å; W255-F259 PolarHBondContact O-N 3.49Å; W255-P381 HydrophobicContact CH2-CB 4.31Å; W255-P381 HydrophobicContact CZ2-CB 3.44Å; W255-P381 VanDerWaalsContact CZ2-CB 3.44Å; W255-I384 HydrophobicContact CH2-CB 4.09Å; W255-I384 HydrophobicContact CH2-CG2 3.88Å; W255-I384 HydrophobicContact CZ3-CB 4.3Å; W255-I384 HydrophobicContact CZ3-CG2 3.64Å; W255-E385 HydrophobicContact CH2-CB 4.44Å; W255-F389 HydrophobicContact CZ3-CD2 4.32Å; W255-F389 HydrophobicContact CZ3-CE2 4.01Å; W255-M398 HydrophobicContact CD2-CB 4.19Å; W255-M398 HydrophobicContact CD2-CG 3.57Å; W255-M398 HydrophobicContact CE3-CB 4.5Å; W255-M398 HydrophobicContact CE3-CG 3.72Å; W255-M398 HydrophobicContact CG-CG 4.17Å; W255-M398 HydrophobicContact CH2-CB 3.88Å; W255-M398 HydrophobicContact CH2-CG 3.95Å; W255-M398 HydrophobicContact CZ2-CB 3.49Å; W255-M398 VanDerWaalsContact CZ2-CB 3.49Å; W255-M398 HydrophobicContact CZ2-CG 3.8Å; W255-M398 HydrophobicContact CZ3-CB 4.37Å; W255-M398 HydrophobicContact CZ3-CE 4.33Å; W255-M398 HydrophobicContact CZ3-CG 3.91Å; W255-E399 PolarHBondContact NE1-OE1 2.97Å; W255-L402 HydrophobicContact CB-CD1 3.63Å; W255-L402 HydrophobicContact CG-CD1 3.88Å
256N90.1Very high82.6Confident16 Ų1626.1 Ų26.19%0.08613%0.132CC..Hα-helixtrans-64.2-47179.572.4-53.9000110.6S254 L258 F259 L260 V379 P381S254-N256 VanDerWaalsContact C-N 3.26Å; S254-N256 PolarHBondContact O-N 2.84Å; N256-L258 VanDerWaalsContact C-N 3.34Å; N256-L258 PolarHBondContact O-N 3.15Å; N256-F259 PolarHBondContact O-N 3.42Å; N256-L260 WeakPolarHBondContact O-CB 3.4Å; N256-L260 WeakPolarHBondContact O-CG 3Å; N256-L260 PolarHBondContact O-N 2.89Å; N256-V379 PolarHBondContact ND2-O 3.03Å; N256-P381 HydrophobicContact CB-CB 4.28Å
257D91.8Very high82.9Confident2 Ų224.9 Ų24.91%0.01112%0.124CC..Hα-helixtrans-67.2-38.3179.5-67.6-13.5000110.3S254 L261 A325 R328 L376 R377S254-D257 PolarHBondContact O-N 2.7Å; S254-D257 VanDerWaalsContact O-N 3.16Å; D257-L261 VanDerWaalsContact O-CB 3.3Å; D257-L261 WeakPolarHBondContact O-CB 3.4Å; D257-L261 VanDerWaalsContact O-CG 3.23Å; D257-L261 WeakPolarHBondContact O-CG 3.09Å; D257-L261 PolarHBondContact O-N 3.11Å; D257-A325 HydrophobicContact CB-CB 4.33Å; D257-R328 IonicContact OD2-CZ 2.65Å; D257-R328 IonicContact OD2-NH1 2.74Å; D257-R328 IonicContact OD2-NH2 3.98Å; D257-R328 PolarHBondContact OD2-NH2 2.95Å; D257-L376 HydrophobicContact CB-CB 4.29Å; D257-L376 HydrophobicContact CB-CD1 4.16Å; D257-L376 WeakPolarHBondContact OD1-CB 3.28Å; D257-R377 IonicContact OD2-NE 3.71Å
258L86.3Confident82.8Confident7 Ų722.4 Ų22.44%0.03711%0.113CC..Hα-helixtrans-68-40.1176.4-68.4168.5000112.6V200 L251 S254 W255 N256 K262 K322 L326V200-L258 HydrophobicContact CG1-CB 4.43Å; V200-L258 HydrophobicContact CG1-CD2 4.45Å; V200-L258 HydrophobicContact CG2-CD1 4.03Å; V200-L258 HydrophobicContact CG2-CD2 4.09Å; L251-L258 HydrophobicContact CD2-CD1 4.26Å; S254-L258 VanDerWaalsContact O-CG 3.29Å; S254-L258 WeakPolarHBondContact O-CG 3.22Å; S254-L258 PolarHBondContact O-N 2.72Å; S254-L258 VanDerWaalsContact OG-CD1 3.3Å; S254-L258 WeakPolarHBondContact OG-CD1 3.31Å; W255-L258 PolarHBondContact O-N 2.67Å; N256-L258 VanDerWaalsContact C-N 3.34Å; N256-L258 PolarHBondContact O-N 3.15Å; L258-K262 PolarHBondContact O-N 2.99Å; L258-K322 HydrophobicContact CD2-CB 3.76Å; L258-K322 HydrophobicContact CD2-CG 3.98Å; L258-K322 WeakPolarHBondContact CD2-O 3.34Å; L258-L326 HydrophobicContact CD1-CB 4.44Å; L258-L326 HydrophobicContact CD1-CD1 4.13Å; L258-L326 HydrophobicContact CD2-CB 4.41Å
259F84.6Confident81.8Confident26 Ų2626.7 Ų26.711%0.11414%0.142CC..Hα-helixtrans-62.2-50.9173173.3-98.7000110.7F207 W255 N256 L261 K262 M263 I384 F388 F389F207-F259 HydrophobicContact CD2-CD2 4.3Å; W255-F259 VanDerWaalsContact O-CB 3.28Å; W255-F259 WeakPolarHBondContact O-CB 3.49Å; W255-F259 PolarHBondContact O-N 3.49Å; N256-F259 PolarHBondContact O-N 3.42Å; F259-L261 PolarHBondContact O-N 3.29Å; F259-K262 PolarHBondContact O-N 3.11Å; F259-M263 HydrophobicContact CE1-CE 4.43Å; F259-M263 HydrophobicContact CE1-SD 4.24Å; F259-M263 HydrophobicContact CZ-SD 4.45Å; F259-M263 WeakPolarHBondContact O-CB 3.5Å; F259-M263 PolarHBondContact O-N 3.05Å; F259-I384 HydrophobicContact CD1-CG2 3.52Å; F259-I384 HydrophobicContact CE1-CG2 3.69Å; F259-I384 HydrophobicContact CG-CG2 4.33Å; F259-F388 AromaticContact CE1-CD2 3.74Å; F259-F388 HydrophobicContact CE1-CD2 3.74Å; F259-F388 HydrophobicContact CE1-CE2 4Å; F259-F388 HydrophobicContact CE1-CG 4.02Å; F259-F388 HydrophobicContact CE1-CZ 4.49Å; F259-F388 HydrophobicContact CZ-CB 4.1Å; F259-F388 HydrophobicContact CZ-CD1 4.04Å; F259-F388 HydrophobicContact CZ-CD2 4.01Å; F259-F388 HydrophobicContact CZ-CE1 4.49Å; F259-F388 HydrophobicContact CZ-CE2 4.46Å; F259-F388 AromaticContact CZ-CG 3.78Å; F259-F388 HydrophobicContact CZ-CG 3.78Å; F259-F389 HydrophobicContact CD2-CE2 4.05Å; F259-F389 AromaticContact CD2-CZ 3.71Å; F259-F389 HydrophobicContact CD2-CZ 3.71Å; F259-F389 HydrophobicContact CE1-CE2 4.41Å; F259-F389 HydrophobicContact CE2-CE1 4.49Å; F259-F389 AromaticContact CE2-CE2 3.91Å; F259-F389 HydrophobicContact CE2-CE2 3.91Å; F259-F389 AromaticContact CE2-CZ 3.45Å; F259-F389 HydrophobicContact CE2-CZ 3.45Å; F259-F389 VanDerWaalsContact CE2-CZ 3.45Å; F259-F389 HydrophobicContact CG-CE2 4.37Å; F259-F389 HydrophobicContact CG-CZ 4.46Å; F259-F389 HydrophobicContact CZ-CE2 4.09Å; F259-F389 HydrophobicContact CZ-CZ 4.01Å
260L89.2Confident80.2Confident0 Ų030.5 Ų30.50%016%0.162CC..Hα-helixtrans-59.3-48.1177.2-72.7179.5000112N256 K262 M263 Y264 L301 L376 V379 I384N256-L260 WeakPolarHBondContact O-CB 3.4Å; N256-L260 WeakPolarHBondContact O-CG 3Å; N256-L260 PolarHBondContact O-N 2.89Å; L260-K262 PolarHBondContact O-N 3.32Å; L260-M263 HydrophobicContact CD2-CE 3.41Å; L260-M263 VanDerWaalsContact CD2-CE 3.41Å; L260-M263 PolarHBondContact O-N 2.78Å; L260-M263 VanDerWaalsContact O-N 3.14Å; L260-Y264 HydrophobicContact CB-CE2 4.04Å; L260-Y264 VanDerWaalsContact O-CD2 3.26Å; L260-Y264 WeakPolarHBondContact O-CD2 3.42Å; L260-Y264 VanDerWaalsContact O-CG 3.26Å; L260-Y264 PolarHBondContact O-N 3.18Å; L260-L301 HydrophobicContact CD2-CD2 3.85Å; L260-L376 HydrophobicContact CB-CD2 3.92Å; L260-L376 HydrophobicContact CD1-CB 4.36Å; L260-L376 HydrophobicContact CD1-CD2 4.1Å; L260-V379 HydrophobicContact CD1-CB 4.06Å; L260-V379 HydrophobicContact CD1-CG2 4.17Å; L260-I384 HydrophobicContact CD2-CD1 3.73Å; L260-I384 HydrophobicContact CG-CD1 4.31Å
261L88.1Confident78.4Confident0 Ų036.1 Ų36.10%020%0.197CC..Hα-helixtrans-58.6-36.4176.6-78.8167000112.3D257 F259 Q265 F308 F318 L321 K322 A325 L373 L376D257-L261 VanDerWaalsContact O-CB 3.3Å; D257-L261 WeakPolarHBondContact O-CB 3.4Å; D257-L261 VanDerWaalsContact O-CG 3.23Å; D257-L261 WeakPolarHBondContact O-CG 3.09Å; D257-L261 PolarHBondContact O-N 3.11Å; F259-L261 PolarHBondContact O-N 3.29Å; L261-Q265 VanDerWaalsContact O-CB 3.26Å; L261-Q265 WeakPolarHBondContact O-CB 3.28Å; L261-Q265 PolarHBondContact O-N 2.97Å; L261-Q265 VanDerWaalsContact O-N 3.09Å; L261-F308 HydrophobicContact CD2-CE1 3.65Å; L261-F308 HydrophobicContact CD2-CZ 3.89Å; L261-F318 HydrophobicContact CD2-CD1 4.13Å; L261-F318 HydrophobicContact CD2-CE1 4.28Å; L261-F318 WeakPolarHBondContact O-CD1 3.2Å; L261-F318 WeakPolarHBondContact O-CE1 3.36Å; L261-L321 HydrophobicContact CD1-CB 4.39Å; L261-L321 HydrophobicContact CD2-CB 4.09Å; L261-L321 HydrophobicContact CD2-CD1 4.45Å; L261-K322 HydrophobicContact CB-CD 4.47Å; L261-K322 HydrophobicContact CB-CG 3.81Å; L261-K322 HydrophobicContact CD1-CB 4.43Å; L261-K322 HydrophobicContact CD1-CG 3.75Å; L261-K322 HydrophobicContact CG-CG 4.38Å; L261-A325 HydrophobicContact CD1-CB 3.98Å; L261-L373 HydrophobicContact CD1-CD2 4.24Å; L261-L376 HydrophobicContact CD1-CD1 3.9Å; L261-L376 HydrophobicContact CD2-CD1 3.89Å; L261-L376 HydrophobicContact CG-CD1 3.57Å
262K80.5Confident76.6Confident44 Ų4440.6 Ų40.619%0.19123%0.225CC..Hα-helixtrans-71.7-46.9173174.970.4-177.8-150.60112V204 L258 F259 L260 Y264 Q265 S266V204-K262 HydrophobicContact CB-CD 4.47Å; V204-K262 HydrophobicContact CB-CG 4.06Å; V204-K262 HydrophobicContact CG1-CB 4.39Å; V204-K262 HydrophobicContact CG1-CD 3.5Å; V204-K262 HydrophobicContact CG1-CG 3.38Å; V204-K262 HydrophobicContact CG2-CB 3.6Å; V204-K262 HydrophobicContact CG2-CD 4.27Å; V204-K262 HydrophobicContact CG2-CG 3.54Å; L258-K262 PolarHBondContact O-N 2.99Å; F259-K262 PolarHBondContact O-N 3.11Å; L260-K262 PolarHBondContact O-N 3.32Å; K262-Y264 VanDerWaalsContact C-N 3.26Å; K262-Y264 PolarHBondContact O-N 3.34Å; K262-Q265 CarbonylContact O-C 3.6Å; K262-Q265 WeakPolarHBondContact O-CB 3.39Å; K262-Q265 PolarHBondContact O-N 3.46Å; K262-S266 WeakPolarHBondContact CE-OG 3.34Å; K262-S266 PolarHBondContact O-N 2.95Å; K262-S266 PolarHBondContact O-OG 3.4Å
263M79.1Confident75Confident11 Ų1139.2 Ų39.25%0.05422%0.221CC..Hα-helixtrans-55.6-46.9-179.1-179.2175.658.500109.9F259 L260 S266 S267 L276 L301 F388F259-M263 HydrophobicContact CE1-CE 4.43Å; F259-M263 HydrophobicContact CE1-SD 4.24Å; F259-M263 HydrophobicContact CZ-SD 4.45Å; F259-M263 WeakPolarHBondContact O-CB 3.5Å; F259-M263 PolarHBondContact O-N 3.05Å; L260-M263 HydrophobicContact CD2-CE 3.41Å; L260-M263 VanDerWaalsContact CD2-CE 3.41Å; L260-M263 PolarHBondContact O-N 2.78Å; L260-M263 VanDerWaalsContact O-N 3.14Å; M263-S266 PolarHBondContact O-N 2.96Å; M263-S267 PolarHBondContact O-N 2.95Å; M263-S267 VanDerWaalsContact O-N 3.16Å; M263-S267 PolarHBondContact O-OG 3.36Å; M263-L276 HydrophobicContact CE-CD1 4Å; M263-L276 HydrophobicContact CE-CD2 4.18Å; M263-L276 HydrophobicContact CE-CG 4.46Å; M263-L276 HydrophobicContact CG-CD1 4.08Å; M263-L276 HydrophobicContact CG-CG 4.24Å; M263-L276 HydrophobicContact SD-CD1 4.03Å; M263-L276 HydrophobicContact SD-CD2 3.78Å; M263-L276 HydrophobicContact SD-CG 3.94Å; M263-L301 HydrophobicContact CE-CD1 4.45Å; M263-F388 HydrophobicContact CE-CZ 4.29Å; M263-F388 HydrophobicContact SD-CE1 3.98Å; M263-F388 HydrophobicContact SD-CE2 4.38Å; M263-F388 HydrophobicContact SD-CZ 3.65Å
264Y86.7Confident73.3Confident0 Ų038.3 Ų38.30%022%0.222CC..Hα-helixtrans-66.2-36.7175.3-56-31.3000113.1L260 K262 S267 M268 L276 L304 L305 F308 L376L260-Y264 HydrophobicContact CB-CE2 4.04Å; L260-Y264 VanDerWaalsContact O-CD2 3.26Å; L260-Y264 WeakPolarHBondContact O-CD2 3.42Å; L260-Y264 VanDerWaalsContact O-CG 3.26Å; L260-Y264 PolarHBondContact O-N 3.18Å; K262-Y264 VanDerWaalsContact C-N 3.26Å; K262-Y264 PolarHBondContact O-N 3.34Å; Y264-S267 WeakPolarHBondContact O-CB 3.29Å; Y264-S267 PolarHBondContact O-N 3.38Å; Y264-M268 WeakPolarHBondContact O-CG 3.42Å; Y264-L276 HydrophobicContact CD1-CD1 3.92Å; Y264-L276 HydrophobicContact CE1-CD1 3.81Å; Y264-L304 HydrophobicContact CE2-CB 4.27Å; Y264-L304 VanDerWaalsContact OH-CB 3.31Å; Y264-L304 WeakPolarHBondContact OH-CB 3.38Å; Y264-L305 HydrophobicContact CD1-CB 3.87Å; Y264-L305 HydrophobicContact CD1-CD1 3.85Å; Y264-L305 HydrophobicContact CD1-CG 4.44Å; Y264-L305 HydrophobicContact CE1-CB 3.95Å; Y264-L305 HydrophobicContact CG-CD1 4.32Å; Y264-F308 HydrophobicContact CD2-CD1 4.4Å; Y264-F308 AromaticContact CD2-CD2 3.6Å; Y264-F308 HydrophobicContact CD2-CD2 3.6Å; Y264-F308 HydrophobicContact CD2-CE1 4.42Å; Y264-F308 AromaticContact CD2-CE2 3.62Å; Y264-F308 HydrophobicContact CD2-CE2 3.62Å; Y264-F308 HydrophobicContact CD2-CG 4.02Å; Y264-F308 HydrophobicContact CD2-CZ 4.05Å; Y264-F308 AromaticContact CE2-CD2 3.99Å; Y264-F308 HydrophobicContact CE2-CD2 3.99Å; Y264-F308 AromaticContact CE2-CE2 3.81Å; Y264-F308 HydrophobicContact CE2-CE2 3.81Å; Y264-F308 HydrophobicContact CE2-CZ 4.49Å; Y264-F308 HydrophobicContact CG-CD2 4.33Å; Y264-F308 HydrophobicContact CG-CG 4.43Å; Y264-L376 HydrophobicContact CD2-CD2 4.3Å; Y264-L376 HydrophobicContact CE2-CD2 3.71Å
265Q82.1Confident71.6Confident23 Ų2340.7 Ų40.711%0.10723%0.234CC..Hα-helixtrans-63-44.4173.1-178-174.126.100112.2L261 K262 S267 M268 Q315 F318L261-Q265 VanDerWaalsContact O-CB 3.26Å; L261-Q265 WeakPolarHBondContact O-CB 3.28Å; L261-Q265 PolarHBondContact O-N 2.97Å; L261-Q265 VanDerWaalsContact O-N 3.09Å; K262-Q265 CarbonylContact O-C 3.6Å; K262-Q265 WeakPolarHBondContact O-CB 3.39Å; K262-Q265 PolarHBondContact O-N 3.46Å; Q265-S267 PolarHBondContact O-N 3.01Å; Q265-M268 PolarHBondContact O-N 3.45Å; Q265-M268 VanDerWaalsContact O-N 3.11Å; Q265-Q315 VanDerWaalsContact NE2-CD 3.26Å; Q265-F318 HydrophobicContact CB-CB 4.46Å; Q265-F318 HydrophobicContact CB-CD1 3.88Å; Q265-F318 HydrophobicContact CB-CD2 3.9Å; Q265-F318 HydrophobicContact CB-CE1 4Å; Q265-F318 HydrophobicContact CB-CE2 4.03Å; Q265-F318 HydrophobicContact CB-CG 3.83Å; Q265-F318 HydrophobicContact CB-CZ 4.08Å; Q265-F318 HydrophobicContact CG-CB 4.22Å; Q265-F318 HydrophobicContact CG-CD2 3.85Å; Q265-F318 HydrophobicContact CG-CE2 4.32Å; Q265-F318 HydrophobicContact CG-CG 3.96Å
266S70.2Confident70.3Confident59 Ų5940.3 Ų40.341%0.41323%0.233SC..Hα-helixtrans-65-17175.2-63.90000113K262 M263 M268K262-S266 WeakPolarHBondContact CE-OG 3.34Å; K262-S266 PolarHBondContact O-N 2.95Å; K262-S266 PolarHBondContact O-OG 3.4Å; M263-S266 PolarHBondContact O-N 2.96Å; S266-M268 VanDerWaalsContact C-N 3.33Å
267S71.4Confident68.8Low1 Ų141.2 Ų41.21%0.00724%0.239CC..THydrogen-bonded Turntrans-87.34.7174.4-59.50000114M263 Y264 Q265 C273 L305M263-S267 PolarHBondContact O-N 2.95Å; M263-S267 VanDerWaalsContact O-N 3.16Å; M263-S267 PolarHBondContact O-OG 3.36Å; Y264-S267 WeakPolarHBondContact O-CB 3.29Å; Y264-S267 PolarHBondContact O-N 3.38Å; Q265-S267 PolarHBondContact O-N 3.01Å; S267-C273 WeakPolarHBondContact CB-SG 3.12Å; S267-C273 PolarHBondContact OG-SG 3.47Å; S267-L305 VanDerWaalsContact CB-CD1 3.5Å
268M66.9Low67.4Low44 Ų4447 Ų4722%0.21727%0.266CS..  trans-114.3139177.1-52.5-64.216700111Y264 Q265 S266 L270 L305 F308 Q309 F318Y264-M268 WeakPolarHBondContact O-CG 3.42Å; Q265-M268 PolarHBondContact O-N 3.45Å; Q265-M268 VanDerWaalsContact O-N 3.11Å; S266-M268 VanDerWaalsContact C-N 3.33Å; M268-L270 HydrophobicContact SD-CD1 4.42Å; M268-L305 HydrophobicContact CE-CD1 3.91Å; M268-F308 HydrophobicContact CE-CB 3.89Å; M268-Q309 HydrophobicContact CE-CB 4.31Å; M268-Q309 HydrophobicContact CE-CG 3.52Å; M268-Q309 HydrophobicContact SD-CG 3.76Å; M268-F318 HydrophobicContact CE-CZ 4.37Å; M268-F318 HydrophobicContact CG-CE2 4.08Å; M268-F318 HydrophobicContact CG-CZ 4.45Å
269P57.1Low66.2Low107 Ų10750.2 Ų50.270%0.69529%0.289SS*.SBendcis-77.5163.4-8.3-12.230.3000112.9T271P269-T271 PolarHBondContact O-N 2.73Å
270L50.9Low65.2Low111 Ų11150.4 Ų50.458%0.58129%0.291SS*.G310 helixtrans-63.4-3.2-168-81.483.1000117.4M268 T272 Q309M268-L270 HydrophobicContact SD-CD1 4.42Å; L270-T272 VanDerWaalsContact C-N 3.29Å; L270-T272 PolarHBondContact O-N 3.48Å; L270-Q309 HydrophobicContact CD1-CB 4.23Å; L270-Q309 HydrophobicContact CD1-CG 3.85Å; L270-Q309 HydrophobicContact CD2-CG 4.49Å; L270-Q309 HydrophobicContact CG-CG 4.33Å
271T42.8Very low63.9Low131 Ų13151.2 Ų51.280%0.80429%0.294SS*.G310 helixtrans-64.7-28.7-175.125.60000114.3P269P269-T271 PolarHBondContact O-N 2.73Å
272T46.1Very low62.6Low109 Ų10953.4 Ų53.467%0.66931%0.309SS*.G310 helixtrans-149.745.2-176.9-31.10000112.4L270 T274L270-T272 VanDerWaalsContact C-N 3.29Å; L270-T272 PolarHBondContact O-N 3.48Å; T272-T274 HydrophobicContact CG2-CG2 4.45Å; T272-T274 PolarHBondContact O-N 2.72Å
273C48.9Very low61.8Low27 Ų2756.2 Ų56.218%0.18232%0.323CS..  trans-60.5115.2169179.10000108.5S267 T277S267-C273 WeakPolarHBondContact CB-SG 3.12Å; S267-C273 PolarHBondContact OG-SG 3.47Å; C273-T277 WeakPolarHBondContact O-CG2 3.17Å
274T51.5Low60.9Low73 Ų7357.2 Ų57.245%0.44833%0.329SS..  trans-98.6-47.5176.249.10000111.4T272 L276 T277 M280T272-T274 HydrophobicContact CG2-CG2 4.45Å; T272-T274 PolarHBondContact O-N 2.72Å; T274-L276 VanDerWaalsContact C-N 3.28Å; T274-L276 PolarHBondContact O-N 2.86Å; T274-L276 VanDerWaalsContact O-N 3.08Å; T274-T277 WeakPolarHBondContact O-CB 3.44Å; T274-T277 VanDerWaalsContact O-CG2 3.29Å; T274-T277 WeakPolarHBondContact O-CG2 3.44Å; T274-T277 PolarHBondContact O-N 3.1Å; T274-T277 VanDerWaalsContact O-N 3.13Å; T274-T277 PolarHBondContact O-OG1 3.28Å; T274-M280 VanDerWaalsContact O-CG 3.24Å; T274-M280 WeakPolarHBondContact O-CG 3.41Å
275M52.6Low59.7Low49 Ų4963.5 Ų63.524%0.24135%0.353CS..THydrogen-bonded Turntrans-59.6-25.7-167.1-62.2-67.998.900116.1T212 M280 W298T212-M275 HydrophobicContact CG2-CE 4.12Å; M275-M280 HydrophobicContact CE-CE 4.49Å; M275-M280 HydrophobicContact CE-SD 3.48Å; M275-M280 WeakPolarHBondContact CE-SD 3.41Å; M275-M280 HydrophobicContact SD-SD 4.39Å; M275-W298 WeakPolarHBondContact O-CH2 3.39Å
276L58.8Low58.5Low6 Ų667.8 Ų67.83%0.03138%0.377CS..THydrogen-bonded Turntrans-121.121.8-179.9-72.2172.8000113.5M263 Y264 T274 W298 L301 Q302 L305M263-L276 HydrophobicContact CE-CD1 4Å; M263-L276 HydrophobicContact CE-CD2 4.18Å; M263-L276 HydrophobicContact CE-CG 4.46Å; M263-L276 HydrophobicContact CG-CD1 4.08Å; M263-L276 HydrophobicContact CG-CG 4.24Å; M263-L276 HydrophobicContact SD-CD1 4.03Å; M263-L276 HydrophobicContact SD-CD2 3.78Å; M263-L276 HydrophobicContact SD-CG 3.94Å; Y264-L276 HydrophobicContact CD1-CD1 3.92Å; Y264-L276 HydrophobicContact CE1-CD1 3.81Å; T274-L276 VanDerWaalsContact C-N 3.28Å; T274-L276 PolarHBondContact O-N 2.86Å; T274-L276 VanDerWaalsContact O-N 3.08Å; L276-W298 HydrophobicContact CB-CZ2 4.37Å; L276-W298 HydrophobicContact CD2-CE3 4.35Å; L276-W298 HydrophobicContact CD2-CH2 3.66Å; L276-W298 HydrophobicContact CD2-CZ2 3.88Å; L276-W298 HydrophobicContact CD2-CZ3 3.89Å; L276-L301 HydrophobicContact CD2-CB 4.43Å; L276-Q302 PolarHBondContact O-NE2 2.99Å; L276-L305 HydrophobicContact CB-CD2 4.07Å; L276-L305 HydrophobicContact CD1-CB 4.04Å; L276-L305 HydrophobicContact CD1-CD2 3.82Å; L276-L305 HydrophobicContact CD1-CG 4.36Å
277T60.3Low57.7Low35 Ų3571.7 Ų71.722%0.21539%0.388CS..SBendtrans-68.7157.7175.951.10000113C273 T274 S279 M280 F281 W298C273-T277 WeakPolarHBondContact O-CG2 3.17Å; T274-T277 WeakPolarHBondContact O-CB 3.44Å; T274-T277 VanDerWaalsContact O-CG2 3.29Å; T274-T277 WeakPolarHBondContact O-CG2 3.44Å; T274-T277 PolarHBondContact O-N 3.1Å; T274-T277 VanDerWaalsContact O-N 3.13Å; T274-T277 PolarHBondContact O-OG1 3.28Å; T277-S279 VanDerWaalsContact CB-OG 3.29Å; T277-S279 WeakPolarHBondContact CB-OG 3.26Å; T277-S279 PolarHBondContact O-N 3.41Å; T277-S279 PolarHBondContact OG1-OG 3.47Å; T277-M280 PolarHBondContact O-N 2.88Å; T277-M280 WeakPolarHBondContact OG1-CB 3.38Å; T277-M280 WeakPolarHBondContact OG1-CG 3.41Å; T277-M280 PolarHBondContact OG1-N 2.91Å; T277-F281 PolarHBondContact O-N 3.16Å; T277-W298 WeakPolarHBondContact O-CZ2 3.44Å
278Q62Low56.7Low124 Ų12472.9 Ų72.958%0.57940%0.397SS*.Hα-helixtrans-60.5-28.3166.5-170.360.832.300112.2S282Q278-S282 WeakPolarHBondContact O-CB 3.42Å; Q278-S282 PolarHBondContact O-N 3.44Å
279S60.7Low55.9Low74 Ų7480 Ų8052%0.51743%0.429SS..Hα-helixtrans-70-44173.539.40000112.2T277 S282 Q283T277-S279 VanDerWaalsContact CB-OG 3.29Å; T277-S279 WeakPolarHBondContact CB-OG 3.26Å; T277-S279 PolarHBondContact O-N 3.41Å; T277-S279 PolarHBondContact OG1-OG 3.47Å; S279-S282 CarbonylContact O-C 3.58Å; S279-S282 PolarHBondContact O-N 2.9Å; S279-Q283 WeakPolarHBondContact O-CG 3.37Å; S279-Q283 PolarHBondContact O-N 3.13Å
280M63Low55.8Low31 Ų3177 Ų7715%0.15341%0.407CS..Hα-helixtrans-70.4-33.4173-73.5-141.684.500112.9T274 M275 T277 S282 Q283 L284T274-M280 VanDerWaalsContact O-CG 3.24Å; T274-M280 WeakPolarHBondContact O-CG 3.41Å; M275-M280 HydrophobicContact CE-CE 4.49Å; M275-M280 HydrophobicContact CE-SD 3.48Å; M275-M280 WeakPolarHBondContact CE-SD 3.41Å; M275-M280 HydrophobicContact SD-SD 4.39Å; T277-M280 PolarHBondContact O-N 2.88Å; T277-M280 WeakPolarHBondContact OG1-CB 3.38Å; T277-M280 WeakPolarHBondContact OG1-CG 3.41Å; T277-M280 PolarHBondContact OG1-N 2.91Å; M280-S282 VanDerWaalsContact C-N 3.29Å; M280-S282 PolarHBondContact O-N 3.38Å; M280-Q283 PolarHBondContact O-N 3.38Å; M280-L284 WeakPolarHBondContact O-CB 3.47Å; M280-L284 VanDerWaalsContact O-CG 3.28Å; M280-L284 WeakPolarHBondContact O-CG 3.49Å; M280-L284 PolarHBondContact O-N 3.16Å
281F63.2Low56Low17 Ų1777.6 Ų77.68%0.07542%0.418CS..Hα-helixtrans-55.4-47.9166177.6-97000110.9T277 L284 Y285 F293 V295 W298T277-F281 PolarHBondContact O-N 3.16Å; F281-L284 PolarHBondContact O-N 2.79Å; F281-Y285 HydrophobicContact CE1-CG 4.45Å; F281-Y285 HydrophobicContact CZ-CD2 4.41Å; F281-Y285 WeakPolarHBondContact O-CB 3.23Å; F281-Y285 PolarHBondContact O-N 2.91Å; F281-F293 AromaticContact CD2-CE1 3.75Å; F281-F293 HydrophobicContact CD2-CE1 3.75Å; F281-F293 AromaticContact CD2-CZ 3.84Å; F281-F293 HydrophobicContact CD2-CZ 3.84Å; F281-F293 HydrophobicContact CE2-CD1 4.3Å; F281-F293 AromaticContact CE2-CE1 3.25Å; F281-F293 HydrophobicContact CE2-CE1 3.25Å; F281-F293 AromaticContact CE2-CZ 3.74Å; F281-F293 HydrophobicContact CE2-CZ 3.74Å; F281-F293 AromaticContact CZ-CE1 3.89Å; F281-F293 HydrophobicContact CZ-CE1 3.89Å; F281-V295 HydrophobicContact CZ-CB 4.3Å; F281-V295 HydrophobicContact CZ-CG1 4.03Å; F281-V295 HydrophobicContact CZ-CG2 4.1Å; F281-W298 HydrophobicContact CB-CD2 4.26Å; F281-W298 HydrophobicContact CB-CZ2 3.8Å; F281-W298 HydrophobicContact CD2-CB 3.65Å; F281-W298 AromaticContact CD2-CD1 3.38Å; F281-W298 AromaticContact CD2-CD2 3.54Å; F281-W298 HydrophobicContact CD2-CD2 3.54Å; F281-W298 AromaticContact CD2-CE2 3.8Å; F281-W298 HydrophobicContact CD2-CE3 4.24Å; F281-W298 AromaticContact CD2-CG 3.23Å; F281-W298 HydrophobicContact CD2-CG 3.23Å; F281-W298 AromaticContact CD2-NE1 3.72Å; F281-W298 HydrophobicContact CE2-CB 3.59Å; F281-W298 AromaticContact CE2-CD1 4Å; F281-W298 HydrophobicContact CE2-CD2 4.39Å; F281-W298 AromaticContact CE2-CG 3.72Å; F281-W298 HydrophobicContact CE2-CG 3.72Å; F281-W298 HydrophobicContact CG-CD2 4.37Å; F281-W298 HydrophobicContact CG-CG 4.23Å; F281-W298 AromaticContact CG-NE1 3.99Å
282S60.8Low56.7Low45 Ų4577.7 Ų77.732%0.31541%0.414SS..Hα-helixtrans-68.8-36.6-179.7-166.90000112.2Q278 S279 M280 N286Q278-S282 WeakPolarHBondContact O-CB 3.42Å; Q278-S282 PolarHBondContact O-N 3.44Å; S279-S282 CarbonylContact O-C 3.58Å; S279-S282 PolarHBondContact O-N 2.9Å; M280-S282 VanDerWaalsContact C-N 3.29Å; M280-S282 PolarHBondContact O-N 3.38Å; S282-N286 WeakPolarHBondContact O-CB 3.5Å; S282-N286 PolarHBondContact O-N 2.84Å; S282-N286 PolarHBondContact O-ND2 3.16Å; S282-N286 PolarHBondContact OG-ND2 2.87Å; S282-N286 VanDerWaalsContact OG-ND2 3.16Å
283Q63.4Low57.5Low104 Ų10473.6 Ų73.649%0.48639%0.386SS..Hα-helixtrans-64.5-48.7173.5-75173.3-29.600111.3S279 M280 N286 H287S279-Q283 WeakPolarHBondContact O-CG 3.37Å; S279-Q283 PolarHBondContact O-N 3.13Å; M280-Q283 PolarHBondContact O-N 3.38Å; Q283-N286 PolarHBondContact O-N 2.86Å; Q283-H287 VanDerWaalsContact O-CB 3.3Å; Q283-H287 WeakPolarHBondContact O-CB 3.41Å; Q283-H287 PolarHBondContact O-N 3.35Å
284L60.3Low58.6Low32 Ų3280.8 Ų80.817%0.16841%0.41CS..Hα-helixtrans-59.6-52.4174.7-70.4169.3000110.1M280 F281 N286 S288 W298 F388M280-L284 WeakPolarHBondContact O-CB 3.47Å; M280-L284 VanDerWaalsContact O-CG 3.28Å; M280-L284 WeakPolarHBondContact O-CG 3.49Å; M280-L284 PolarHBondContact O-N 3.16Å; F281-L284 PolarHBondContact O-N 2.79Å; L284-N286 VanDerWaalsContact C-N 3.33Å; L284-N286 PolarHBondContact O-N 3.38Å; L284-S288 WeakPolarHBondContact O-CA 3.36Å; L284-S288 WeakPolarHBondContact O-CB 3.24Å; L284-S288 PolarHBondContact O-N 3.44Å; L284-S288 PolarHBondContact O-OG 3Å; L284-W298 HydrophobicContact CD1-CH2 3.9Å; L284-W298 HydrophobicContact CD1-CZ3 3.6Å; L284-F388 HydrophobicContact CD1-CE1 4.37Å
285Y60.1Low59.8Low132 Ų13280.3 Ų80.352%0.51841%0.407SS..Hα-helixtrans-60.2-37.8-179.6-173.1-100.3000113.7F281 F293F281-Y285 HydrophobicContact CE1-CG 4.45Å; F281-Y285 HydrophobicContact CZ-CD2 4.41Å; F281-Y285 WeakPolarHBondContact O-CB 3.23Å; F281-Y285 PolarHBondContact O-N 2.91Å; Y285-F293 AromaticContact CD2-CD1 3.93Å; Y285-F293 HydrophobicContact CD2-CD1 3.93Å; Y285-F293 HydrophobicContact CD2-CE1 4.21Å
286N57.3Low61.4Low113 Ų11381.1 Ų81.160%0.60442%0.421SS*.Hα-helixtrans-84.4-35.4-177.6-65.2-15.7000113.2S282 Q283 L284S282-N286 WeakPolarHBondContact O-CB 3.5Å; S282-N286 PolarHBondContact O-N 2.84Å; S282-N286 PolarHBondContact O-ND2 3.16Å; S282-N286 PolarHBondContact OG-ND2 2.87Å; S282-N286 VanDerWaalsContact OG-ND2 3.16Å; Q283-N286 PolarHBondContact O-N 2.86Å; L284-N286 VanDerWaalsContact C-N 3.33Å; L284-N286 PolarHBondContact O-N 3.38Å
287H53.2Low62.6Low141 Ų14182.4 Ų82.465%0.65343%0.428SS*.Hα-helixtrans-88-35.6179.2-81.4-76.6000113.3Q283 Q289Q283-H287 VanDerWaalsContact O-CB 3.3Å; Q283-H287 WeakPolarHBondContact O-CB 3.41Å; Q283-H287 PolarHBondContact O-N 3.35Å; H287-Q289 PolarHBondContact O-N 3.42Å
288S50.7Low63.5Low26 Ų2680.8 Ų80.818%0.18242%0.418CS..  trans-89.1109.9179.380.10000108.8L284 L290L284-S288 WeakPolarHBondContact O-CA 3.36Å; L284-S288 WeakPolarHBondContact O-CB 3.24Å; L284-S288 PolarHBondContact O-N 3.44Å; L284-S288 PolarHBondContact O-OG 3Å; S288-L290 PolarHBondContact O-N 3.03Å; S288-L290 WeakPolarHBondContact OG-CD1 3.41Å; S288-L290 VanDerWaalsContact OG-CG 3.23Å; S288-L290 WeakPolarHBondContact OG-CG 3.34Å
289Q51.4Low64.7Low192 Ų19282.5 Ų82.590%0.89742%0.419SS*.  trans-68.168.4163.9-62.4179.718.400108.6H287 P291H287-Q289 PolarHBondContact O-N 3.42Å; Q289-P291 WeakPolarHBondContact O-CD 3.48Å
290L53.8Low66.1Low45 Ų4583 Ų8324%0.23641%0.41CS..  trans-9591.2176.4-70.1175.9000108.6S288 N292 F293 A386S288-L290 PolarHBondContact O-N 3.03Å; S288-L290 WeakPolarHBondContact OG-CD1 3.41Å; S288-L290 VanDerWaalsContact OG-CG 3.23Å; S288-L290 WeakPolarHBondContact OG-CG 3.34Å; L290-N292 PolarHBondContact O-N 3.17Å; L290-F293 HydrophobicContact CB-CB 3.51Å; L290-F293 HydrophobicContact CB-CG 4.48Å; L290-F293 HydrophobicContact CD1-CB 4Å; L290-F293 HydrophobicContact CD1-CD2 3.84Å; L290-F293 HydrophobicContact CD1-CG 4.2Å; L290-F293 HydrophobicContact CG-CB 4.43Å; L290-F293 PolarHBondContact O-N 3.35Å; L290-A386 WeakPolarHBondContact CD1-O 3.17Å; L290-A386 WeakPolarHBondContact CD2-O 3.39Å
291P54.5Low67.3Low123 Ų12381.6 Ų81.680%0.79940%0.403SS*.THydrogen-bonded Turntrans-60-13.9-179.625.5-36.6000113.6Q289Q289-P291 WeakPolarHBondContact O-CD 3.48Å
292N57.8Low68.4Low134 Ų13483.2 Ų83.272%0.71741%0.411SS*.THydrogen-bonded Turntrans-106.9-1.3-178.1-63.2-24.4000114.1L290 R294L290-N292 PolarHBondContact O-N 3.17Å; N292-R294 PolarHBondContact O-N 3.06Å
293F63.9Low69.7Low22 Ų2285.6 Ų85.610%0.09642%0.42CS..  trans-78.1104.6-176.4-176.9-94.1000111.2F281 Y285 L290 W298 M387F281-F293 AromaticContact CD2-CE1 3.75Å; F281-F293 HydrophobicContact CD2-CE1 3.75Å; F281-F293 AromaticContact CD2-CZ 3.84Å; F281-F293 HydrophobicContact CD2-CZ 3.84Å; F281-F293 HydrophobicContact CE2-CD1 4.3Å; F281-F293 AromaticContact CE2-CE1 3.25Å; F281-F293 HydrophobicContact CE2-CE1 3.25Å; F281-F293 AromaticContact CE2-CZ 3.74Å; F281-F293 HydrophobicContact CE2-CZ 3.74Å; F281-F293 AromaticContact CZ-CE1 3.89Å; F281-F293 HydrophobicContact CZ-CE1 3.89Å; Y285-F293 AromaticContact CD2-CD1 3.93Å; Y285-F293 HydrophobicContact CD2-CD1 3.93Å; Y285-F293 HydrophobicContact CD2-CE1 4.21Å; L290-F293 HydrophobicContact CB-CB 3.51Å; L290-F293 HydrophobicContact CB-CG 4.48Å; L290-F293 HydrophobicContact CD1-CB 4Å; L290-F293 HydrophobicContact CD1-CD2 3.84Å; L290-F293 HydrophobicContact CD1-CG 4.2Å; L290-F293 HydrophobicContact CG-CB 4.43Å; L290-F293 PolarHBondContact O-N 3.35Å; F293-W298 HydrophobicContact CE2-CE3 4.45Å; F293-W298 HydrophobicContact CZ-CB 4.3Å; F293-W298 HydrophobicContact CZ-CE3 4.03Å; F293-M387 HydrophobicContact CD2-CB 4.24Å; F293-M387 HydrophobicContact CD2-CE 4.27Å; F293-M387 HydrophobicContact CD2-CG 3.68Å; F293-M387 HydrophobicContact CE2-CB 4.07Å; F293-M387 HydrophobicContact CE2-CE 3.58Å; F293-M387 HydrophobicContact CE2-CG 3.74Å; F293-M387 HydrophobicContact CZ-CE 4.26Å
294R72.3Confident71.1Confident178 Ų17880.7 Ų80.767%0.67240%0.397SS*.  trans-91.1134.7179.4-57.3179.8176.4-168.5-1.9110.4N292 A296 D297N292-R294 PolarHBondContact O-N 3.06Å; R294-A296 HydrophobicContact CB-CB 4.49Å; R294-A296 PolarHBondContact O-N 3.3Å; R294-D297 WeakPolarHBondContact CB-OD2 3.41Å; R294-D297 PolarHBondContact O-N 2.93Å
295V76.9Confident72.4Confident64 Ų6479.7 Ų79.739%0.38839%0.392SS..Hα-helixtrans-49.3-33.9170.5-1690000111.8F281 W298 R299F281-V295 HydrophobicContact CZ-CB 4.3Å; F281-V295 HydrophobicContact CZ-CG1 4.03Å; F281-V295 HydrophobicContact CZ-CG2 4.1Å; V295-W298 PolarHBondContact O-N 3.05Å; V295-R299 HydrophobicContact CG1-CG 4.49Å; V295-R299 WeakPolarHBondContact O-CG 3.26Å; V295-R299 PolarHBondContact O-N 3.44Å
296A84.3Confident73.8Confident65 Ų6576.4 Ų76.454%0.53739%0.385SS..Hα-helixtrans-64-38.4177.900000113.9R294 R299 Y300R294-A296 HydrophobicContact CB-CB 4.49Å; R294-A296 PolarHBondContact O-N 3.3Å; A296-R299 PolarHBondContact O-N 3.43Å; A296-Y300 WeakPolarHBondContact O-CB 3.28Å; A296-Y300 PolarHBondContact O-N 2.92Å
297D83.9Confident75.4Confident34 Ų3477.4 Ų77.418%0.18238%0.381CS..Hα-helixtrans-69.3-38.7179-69-61000110.8R294 Y300 L301 K383 M387R294-D297 WeakPolarHBondContact CB-OD2 3.41Å; R294-D297 PolarHBondContact O-N 2.93Å; D297-Y300 WeakPolarHBondContact O-CB 3.39Å; D297-Y300 PolarHBondContact O-N 3.22Å; D297-L301 PolarHBondContact O-N 3.16Å; D297-L301 VanDerWaalsContact O-N 3.12Å; D297-K383 WeakPolarHBondContact OD1-CE 3.37Å; D297-K383 IonicContact OD1-NZ 3.95Å; D297-K383 PolarHBondContact OD1-NZ 3.19Å; D297-M387 HydrophobicContact CB-CE 4.29Å; D297-M387 HydrophobicContact CB-SD 4.16Å
298W81.2Confident77.2Confident1 Ų170.7 Ų70.70%0.00435%0.35CS..Hα-helixtrans-66.1-45.5173.1-177.2-93.5000113M275 L276 T277 F281 L284 F293 V295 Y300 L301 Q302 M387 F388M275-W298 WeakPolarHBondContact O-CH2 3.39Å; L276-W298 HydrophobicContact CB-CZ2 4.37Å; L276-W298 HydrophobicContact CD2-CE3 4.35Å; L276-W298 HydrophobicContact CD2-CH2 3.66Å; L276-W298 HydrophobicContact CD2-CZ2 3.88Å; L276-W298 HydrophobicContact CD2-CZ3 3.89Å; T277-W298 WeakPolarHBondContact O-CZ2 3.44Å; F281-W298 HydrophobicContact CB-CD2 4.26Å; F281-W298 HydrophobicContact CB-CZ2 3.8Å; F281-W298 HydrophobicContact CD2-CB 3.65Å; F281-W298 AromaticContact CD2-CD1 3.38Å; F281-W298 AromaticContact CD2-CD2 3.54Å; F281-W298 HydrophobicContact CD2-CD2 3.54Å; F281-W298 AromaticContact CD2-CE2 3.8Å; F281-W298 HydrophobicContact CD2-CE3 4.24Å; F281-W298 AromaticContact CD2-CG 3.23Å; F281-W298 HydrophobicContact CD2-CG 3.23Å; F281-W298 AromaticContact CD2-NE1 3.72Å; F281-W298 HydrophobicContact CE2-CB 3.59Å; F281-W298 AromaticContact CE2-CD1 4Å; F281-W298 HydrophobicContact CE2-CD2 4.39Å; F281-W298 AromaticContact CE2-CG 3.72Å; F281-W298 HydrophobicContact CE2-CG 3.72Å; F281-W298 HydrophobicContact CG-CD2 4.37Å; F281-W298 HydrophobicContact CG-CG 4.23Å; F281-W298 AromaticContact CG-NE1 3.99Å; L284-W298 HydrophobicContact CD1-CH2 3.9Å; L284-W298 HydrophobicContact CD1-CZ3 3.6Å; F293-W298 HydrophobicContact CE2-CE3 4.45Å; F293-W298 HydrophobicContact CZ-CB 4.3Å; F293-W298 HydrophobicContact CZ-CE3 4.03Å; V295-W298 PolarHBondContact O-N 3.05Å; W298-Y300 PolarHBondContact O-N 2.93Å; W298-L301 WeakPolarHBondContact O-CB 3.34Å; W298-L301 PolarHBondContact O-N 3.11Å; W298-Q302 VanDerWaalsContact CD1-CD 3.4Å; W298-Q302 PolarHBondContact O-N 2.82Å; W298-M387 HydrophobicContact CB-CE 4.2Å; W298-M387 HydrophobicContact CE3-CE 3.93Å; W298-F388 HydrophobicContact CZ3-CE1 4.14Å; W298-F388 HydrophobicContact CZ3-CZ 4.01Å
299R85.4Confident78.9Confident159 Ų15971.4 Ų71.460%0.635%0.35SS*.Hα-helixtrans-56.6-38.5174.2-76.3177.5177.6174.9-0.4111.3V295 A296 Q302 D303V295-R299 HydrophobicContact CG1-CG 4.49Å; V295-R299 WeakPolarHBondContact O-CG 3.26Å; V295-R299 PolarHBondContact O-N 3.44Å; A296-R299 PolarHBondContact O-N 3.43Å; R299-Q302 WeakPolarHBondContact O-CB 3.3Å; R299-Q302 PolarHBondContact O-N 3.34Å; R299-D303 PolarHBondContact O-N 3.49Å
300Y90.6Very high80.6Confident86 Ų8667.9 Ų67.934%0.33734%0.338SS..Hα-helixtrans-63.6-41.3174.8-170.1-107.5000112.9A296 D297 W298 Q302 D303 L304 T378 V379A296-Y300 WeakPolarHBondContact O-CB 3.28Å; A296-Y300 PolarHBondContact O-N 2.92Å; D297-Y300 WeakPolarHBondContact O-CB 3.39Å; D297-Y300 PolarHBondContact O-N 3.22Å; W298-Y300 PolarHBondContact O-N 2.93Å; Y300-Q302 VanDerWaalsContact C-N 3.32Å; Y300-Q302 PolarHBondContact O-N 3.07Å; Y300-D303 PolarHBondContact O-N 3.48Å; Y300-L304 HydrophobicContact CD1-CD1 4.13Å; Y300-L304 HydrophobicContact CD1-CG 4.38Å; Y300-L304 HydrophobicContact CE1-CD1 3.74Å; Y300-L304 HydrophobicContact CE1-CD2 4.46Å; Y300-L304 HydrophobicContact CE1-CG 4.09Å; Y300-L304 WeakPolarHBondContact O-CG 3.38Å; Y300-L304 PolarHBondContact O-N 3.25Å; Y300-T378 WeakPolarHBondContact CE1-OG1 3.39Å; Y300-T378 WeakPolarHBondContact OH-CB 3.23Å; Y300-T378 PolarHBondContact OH-OG1 2.91Å; Y300-V379 HydrophobicContact CD1-CG2 4.02Å; Y300-V379 HydrophobicContact CE1-CG2 3.79Å
301L87.9Confident82.2Confident1 Ų166.3 Ų66.31%0.00533%0.33CS..Hα-helixtrans-63.4-36.2172.3-65.3-178.1000112.5L260 M263 L276 D297 W298 L304 L305 V379 I384 M387 F388L260-L301 HydrophobicContact CD2-CD2 3.85Å; M263-L301 HydrophobicContact CE-CD1 4.45Å; L276-L301 HydrophobicContact CD2-CB 4.43Å; D297-L301 PolarHBondContact O-N 3.16Å; D297-L301 VanDerWaalsContact O-N 3.12Å; W298-L301 WeakPolarHBondContact O-CB 3.34Å; W298-L301 PolarHBondContact O-N 3.11Å; L301-L304 PolarHBondContact O-N 3.23Å; L301-L305 PolarHBondContact O-N 3.2Å; L301-V379 HydrophobicContact CD2-CG1 4.13Å; L301-V379 HydrophobicContact CD2-CG2 4.01Å; L301-I384 HydrophobicContact CD1-CD1 4.42Å; L301-I384 HydrophobicContact CD2-CD1 4.36Å; L301-M387 HydrophobicContact CD1-CE 3.57Å; L301-M387 HydrophobicContact CD1-SD 4.05Å; L301-M387 HydrophobicContact CG-CE 4.44Å; L301-F388 HydrophobicContact CD1-CE2 3.8Å; L301-F388 HydrophobicContact CD1-CZ 3.98Å
302Q85.9Confident83.7Confident51 Ų5163.6 Ų63.624%0.23832%0.318CS..Hα-helixtrans-67.1-43.3173.7-68.4179.8-46.400111.7L276 W298 R299 Y300 L304 L305 V306L276-Q302 PolarHBondContact O-NE2 2.99Å; W298-Q302 VanDerWaalsContact CD1-CD 3.4Å; W298-Q302 PolarHBondContact O-N 2.82Å; R299-Q302 WeakPolarHBondContact O-CB 3.3Å; R299-Q302 PolarHBondContact O-N 3.34Å; Y300-Q302 VanDerWaalsContact C-N 3.32Å; Y300-Q302 PolarHBondContact O-N 3.07Å; Q302-L304 VanDerWaalsContact C-N 3.3Å; Q302-L304 PolarHBondContact O-N 3.09Å; Q302-L305 WeakPolarHBondContact O-CB 3.25Å; Q302-L305 PolarHBondContact O-N 3.34Å; Q302-V306 WeakPolarHBondContact O-CG2 3Å; Q302-V306 PolarHBondContact O-N 3.45Å
303D89.5Confident85.2Confident94 Ų9457.6 Ų57.650%0.50329%0.286SS..Hα-helixtrans-62.2-36.7175-72.5-23.4000112R299 Y300 R307R299-D303 PolarHBondContact O-N 3.49Å; Y300-D303 PolarHBondContact O-N 3.48Å; D303-R307 WeakPolarHBondContact O-CG 3.45Å; D303-R307 PolarHBondContact O-N 3.16Å
304L92.3Very high86Confident1 Ų159 Ų591%0.00530%0.295CS..Hα-helixtrans-66.2-48.2171.6-71.5-175.1000111.3Y264 Y300 L301 Q302 V306 R307 F308 L375 V379Y264-L304 HydrophobicContact CE2-CB 4.27Å; Y264-L304 VanDerWaalsContact OH-CB 3.31Å; Y264-L304 WeakPolarHBondContact OH-CB 3.38Å; Y300-L304 HydrophobicContact CD1-CD1 4.13Å; Y300-L304 HydrophobicContact CD1-CG 4.38Å; Y300-L304 HydrophobicContact CE1-CD1 3.74Å; Y300-L304 HydrophobicContact CE1-CD2 4.46Å; Y300-L304 HydrophobicContact CE1-CG 4.09Å; Y300-L304 WeakPolarHBondContact O-CG 3.38Å; Y300-L304 PolarHBondContact O-N 3.25Å; L301-L304 PolarHBondContact O-N 3.23Å; Q302-L304 VanDerWaalsContact C-N 3.3Å; Q302-L304 PolarHBondContact O-N 3.09Å; L304-V306 VanDerWaalsContact C-N 3.29Å; L304-V306 PolarHBondContact O-N 3.41Å; L304-R307 WeakPolarHBondContact O-CB 3.23Å; L304-R307 PolarHBondContact O-N 3.43Å; L304-F308 WeakPolarHBondContact O-CD2 3.3Å; L304-F308 PolarHBondContact O-N 2.72Å; L304-F308 VanDerWaalsContact O-N 3.13Å; L304-L375 WeakPolarHBondContact CD1-O 3.17Å; L304-L375 HydrophobicContact CD2-CB 3.8Å; L304-L375 HydrophobicContact CD2-CD1 4.44Å; L304-V379 HydrophobicContact CD1-CG2 3.72Å
305L88.5Confident86.3Confident11 Ų1156 Ų566%0.05829%0.289CS..Hα-helixtrans-53.6-47.1174.7171.865.4000111.1Y264 S267 M268 L276 L301 Q302 R307 F308 Q309Y264-L305 HydrophobicContact CD1-CB 3.87Å; Y264-L305 HydrophobicContact CD1-CD1 3.85Å; Y264-L305 HydrophobicContact CD1-CG 4.44Å; Y264-L305 HydrophobicContact CE1-CB 3.95Å; Y264-L305 HydrophobicContact CG-CD1 4.32Å; S267-L305 VanDerWaalsContact CB-CD1 3.5Å; M268-L305 HydrophobicContact CE-CD1 3.91Å; L276-L305 HydrophobicContact CB-CD2 4.07Å; L276-L305 HydrophobicContact CD1-CB 4.04Å; L276-L305 HydrophobicContact CD1-CD2 3.82Å; L276-L305 HydrophobicContact CD1-CG 4.36Å; L301-L305 PolarHBondContact O-N 3.2Å; Q302-L305 WeakPolarHBondContact O-CB 3.25Å; Q302-L305 PolarHBondContact O-N 3.34Å; L305-R307 PolarHBondContact O-N 2.91Å; L305-F308 WeakPolarHBondContact O-CA 3.3Å; L305-F308 WeakPolarHBondContact O-CB 3.45Å; L305-F308 PolarHBondContact O-N 3.06Å; L305-Q309 HydrophobicContact CD1-CG 4.09Å; L305-Q309 HydrophobicContact CG-CG 4.19Å; L305-Q309 WeakPolarHBondContact O-CG 3.29Å; L305-Q309 PolarHBondContact O-N 3.14Å
306V88Confident86.4Confident63 Ų6355.6 Ų55.638%0.38229%0.288SS..Hα-helixtrans-59.3-33.9178.51690000111.7Q302 L304 Q309 N310Q302-V306 WeakPolarHBondContact O-CG2 3Å; Q302-V306 PolarHBondContact O-N 3.45Å; L304-V306 VanDerWaalsContact C-N 3.29Å; L304-V306 PolarHBondContact O-N 3.41Å; V306-Q309 PolarHBondContact O-N 2.83Å; V306-N310 WeakPolarHBondContact CG1-ND2 3.44Å; V306-N310 VanDerWaalsContact O-CB 3.26Å; V306-N310 WeakPolarHBondContact O-CB 3.4Å; V306-N310 PolarHBondContact O-N 3.28Å; V306-N310 PolarHBondContact O-ND2 3.23Å
307R91.4Very high86.5Confident134 Ų13452.5 Ų52.551%0.50626%0.263SS..Hα-helixtrans-68-40.4173-66.8165.9-171-115.9-1.4112.6D303 L304 L305 C311 L372D303-R307 WeakPolarHBondContact O-CG 3.45Å; D303-R307 PolarHBondContact O-N 3.16Å; L304-R307 WeakPolarHBondContact O-CB 3.23Å; L304-R307 PolarHBondContact O-N 3.43Å; L305-R307 PolarHBondContact O-N 2.91Å; R307-C311 WeakPolarHBondContact O-CB 3.32Å; R307-C311 PolarHBondContact O-N 3.18Å; R307-L372 HydrophobicContact CB-CD2 4.42Å
308F90.8Very high86.5Confident1 Ų151 Ų510%0.00426%0.255CS..Hα-helixtrans-64.8-41.1173.1-83.1-98.7000111.3L261 Y264 M268 L304 L305 C311 A312 V313 F318 L321 L372 L376L261-F308 HydrophobicContact CD2-CE1 3.65Å; L261-F308 HydrophobicContact CD2-CZ 3.89Å; Y264-F308 HydrophobicContact CD2-CD1 4.4Å; Y264-F308 AromaticContact CD2-CD2 3.6Å; Y264-F308 HydrophobicContact CD2-CD2 3.6Å; Y264-F308 HydrophobicContact CD2-CE1 4.42Å; Y264-F308 AromaticContact CD2-CE2 3.62Å; Y264-F308 HydrophobicContact CD2-CE2 3.62Å; Y264-F308 HydrophobicContact CD2-CG 4.02Å; Y264-F308 HydrophobicContact CD2-CZ 4.05Å; Y264-F308 AromaticContact CE2-CD2 3.99Å; Y264-F308 HydrophobicContact CE2-CD2 3.99Å; Y264-F308 AromaticContact CE2-CE2 3.81Å; Y264-F308 HydrophobicContact CE2-CE2 3.81Å; Y264-F308 HydrophobicContact CE2-CZ 4.49Å; Y264-F308 HydrophobicContact CG-CD2 4.33Å; Y264-F308 HydrophobicContact CG-CG 4.43Å; M268-F308 HydrophobicContact CE-CB 3.89Å; L304-F308 WeakPolarHBondContact O-CD2 3.3Å; L304-F308 PolarHBondContact O-N 2.72Å; L304-F308 VanDerWaalsContact O-N 3.13Å; L305-F308 WeakPolarHBondContact O-CA 3.3Å; L305-F308 WeakPolarHBondContact O-CB 3.45Å; L305-F308 PolarHBondContact O-N 3.06Å; F308-C311 PolarHBondContact O-N 3.29Å; F308-A312 PolarHBondContact O-N 3.03Å; F308-V313 HydrophobicContact CD1-CB 4.46Å; F308-V313 HydrophobicContact CD1-CG2 3.84Å; F308-F318 AromaticContact CD1-CE1 3.71Å; F308-F318 HydrophobicContact CD1-CE1 3.71Å; F308-F318 AromaticContact CD1-CZ 3.85Å; F308-F318 HydrophobicContact CD1-CZ 3.85Å; F308-F318 AromaticContact CE1-CE1 3.95Å; F308-F318 HydrophobicContact CE1-CE1 3.95Å; F308-L321 HydrophobicContact CE1-CD1 4.48Å; F308-L372 HydrophobicContact CD1-CD1 3.85Å; F308-L372 HydrophobicContact CD2-CD2 4.43Å; F308-L372 HydrophobicContact CE1-CB 4.15Å; F308-L372 HydrophobicContact CE1-CD1 3.78Å; F308-L372 HydrophobicContact CE2-CB 4.13Å; F308-L372 HydrophobicContact CE2-CD2 4.38Å; F308-L372 HydrophobicContact CG-CD1 4.25Å; F308-L372 HydrophobicContact CZ-CB 3.72Å; F308-L372 HydrophobicContact CZ-CD1 4.14Å; F308-L372 HydrophobicContact CZ-CG 4.39Å; F308-L376 HydrophobicContact CE2-CD2 3.9Å; F308-L376 HydrophobicContact CZ-CD1 4.49Å; F308-L376 HydrophobicContact CZ-CD2 3.89Å; F308-L376 HydrophobicContact CZ-CG 4.4Å
309Q86.7Confident86.5Confident40 Ų4053.1 Ų53.119%0.18727%0.266CS..Hα-helixtrans-62.1-48.6175.5-69.1174.9-20.800111.2M268 L270 L305 V306 C311 A312M268-Q309 HydrophobicContact CE-CB 4.31Å; M268-Q309 HydrophobicContact CE-CG 3.52Å; M268-Q309 HydrophobicContact SD-CG 3.76Å; L270-Q309 HydrophobicContact CD1-CB 4.23Å; L270-Q309 HydrophobicContact CD1-CG 3.85Å; L270-Q309 HydrophobicContact CD2-CG 4.49Å; L270-Q309 HydrophobicContact CG-CG 4.33Å; L305-Q309 HydrophobicContact CD1-CG 4.09Å; L305-Q309 HydrophobicContact CG-CG 4.19Å; L305-Q309 WeakPolarHBondContact O-CG 3.29Å; L305-Q309 PolarHBondContact O-N 3.14Å; V306-Q309 PolarHBondContact O-N 2.83Å; Q309-C311 PolarHBondContact O-N 3.36Å; Q309-A312 WeakPolarHBondContact O-CA 3.45Å; Q309-A312 PolarHBondContact O-N 3.12Å
310N86.9Confident86.4Confident119 Ų11946 Ų4664%0.63624%0.24SC*.Hα-helixtrans-67.5-17177.4-71.1-21.1000113.9V306V306-N310 WeakPolarHBondContact CG1-ND2 3.44Å; V306-N310 VanDerWaalsContact O-CB 3.26Å; V306-N310 WeakPolarHBondContact O-CB 3.4Å; V306-N310 PolarHBondContact O-N 3.28Å; V306-N310 PolarHBondContact O-ND2 3.23Å
311C87.7Confident86.4Confident12 Ų1241.9 Ų41.98%0.08122%0.224CC..Hα-helixtrans-87.4-12.2170.6-159.90000112.7R307 F308 Q309 V313 R365 L372R307-C311 WeakPolarHBondContact O-CB 3.32Å; R307-C311 PolarHBondContact O-N 3.18Å; F308-C311 PolarHBondContact O-N 3.29Å; Q309-C311 PolarHBondContact O-N 3.36Å; C311-V313 VanDerWaalsContact C-N 3.33Å; C311-V313 HydrophobicContact CB-CG2 3.92Å; C311-V313 PolarHBondContact O-N 3.37Å; C311-R365 PolarHBondContact O-NH1 3.41Å; C311-L372 HydrophobicContact CB-CD1 4.17Å
312A86.3Confident86.3Confident65 Ų6542.9 Ų42.954%0.53723%0.228SC..THydrogen-bonded Turntrans46.356.5-173.200000111.2F308 Q309 D314 R365F308-A312 PolarHBondContact O-N 3.03Å; Q309-A312 WeakPolarHBondContact O-CA 3.45Å; Q309-A312 PolarHBondContact O-N 3.12Å; A312-D314 PolarHBondContact O-N 3.31Å; A312-R365 PolarHBondContact O-NH2 2.92Å
313V88.6Confident86Confident8 Ų840.7 Ų40.75%0.04822%0.218CC..  trans-67.9122.2178.8-1730000109F308 C311 E317 F318 L321 L369 L372F308-V313 HydrophobicContact CD1-CB 4.46Å; F308-V313 HydrophobicContact CD1-CG2 3.84Å; C311-V313 VanDerWaalsContact C-N 3.33Å; C311-V313 HydrophobicContact CB-CG2 3.92Å; C311-V313 PolarHBondContact O-N 3.37Å; V313-E317 WeakPolarHBondContact CA-OE2 3.26Å; V313-E317 HydrophobicContact CG1-CB 3.71Å; V313-F318 HydrophobicContact CB-CD2 4.12Å; V313-F318 HydrophobicContact CB-CE2 3.67Å; V313-F318 HydrophobicContact CB-CZ 3.94Å; V313-F318 HydrophobicContact CG1-CD1 4.16Å; V313-F318 HydrophobicContact CG1-CD2 3.62Å; V313-F318 HydrophobicContact CG1-CE1 4.22Å; V313-F318 HydrophobicContact CG1-CE2 3.68Å; V313-F318 HydrophobicContact CG1-CG 3.87Å; V313-F318 HydrophobicContact CG1-CZ 3.99Å; V313-F318 WeakPolarHBondContact O-CE2 3.45Å; V313-L321 HydrophobicContact CG1-CD1 3.87Å; V313-L369 HydrophobicContact CB-CD2 4.32Å; V313-L369 HydrophobicContact CG1-CD2 4.07Å; V313-L369 HydrophobicContact CG2-CD2 3.7Å; V313-L372 HydrophobicContact CG2-CD1 3.65Å
314D81.2Confident85.9Confident53 Ų5337 Ų3728%0.28320%0.198SC..  trans-91.2176.6-179.473.248.9000113.4A312 S316 E317 F318 H354 R365A312-D314 PolarHBondContact O-N 3.31Å; D314-S316 PolarHBondContact O-N 3.24Å; D314-S316 WeakPolarHBondContact OD1-CA 3.27Å; D314-S316 WeakPolarHBondContact OD1-CB 3.29Å; D314-S316 PolarHBondContact OD1-N 3.03Å; D314-E317 PolarHBondContact N-OE2 3.31Å; D314-E317 PolarHBondContact O-N 3.48Å; D314-E317 PolarHBondContact OD1-N 3.48Å; D314-F318 VanDerWaalsContact O-CD2 3.26Å; D314-F318 WeakPolarHBondContact O-CD2 3.31Å; D314-F318 PolarHBondContact O-N 3.38Å; D314-H354 IonicContact OD1-CE1 3.86Å; D314-H354 IonicContact OD1-NE2 2.71Å; D314-H354 PolarHBondContact OD1-NE2 3.43Å; D314-H354 IonicContact OD2-CD2 3.98Å; D314-H354 IonicContact OD2-CE1 2.67Å; D314-H354 IonicContact OD2-NE2 3.88Å; D314-H354 PolarHBondContact OD2-NE2 3.41Å; D314-R365 IonicContact OD2-NH2 3.26Å
315Q79.1Confident85.9Confident115 Ų11537 Ų3754%0.53720%0.199SC..Hα-helixtrans-55.4-46.1-178.7-178.365.71200113.1Q265 E317 I319Q265-Q315 VanDerWaalsContact NE2-CD 3.26Å; Q315-E317 VanDerWaalsContact C-N 3.35Å; Q315-I319 HydrophobicContact CG-CD1 4.12Å; Q315-I319 WeakPolarHBondContact O-CD1 3.37Å; Q315-I319 WeakPolarHBondContact O-CG1 3.35Å; Q315-I319 PolarHBondContact O-N 2.76Å; Q315-I319 VanDerWaalsContact O-N 3.11Å
316S77.4Confident85.8Confident55 Ų5537 Ų3739%0.38520%0.199SC..Hα-helixtrans-69.4-37-177.8-62.40000111D314 I319 C320 H354D314-S316 PolarHBondContact O-N 3.24Å; D314-S316 WeakPolarHBondContact OD1-CA 3.27Å; D314-S316 WeakPolarHBondContact OD1-CB 3.29Å; D314-S316 PolarHBondContact OD1-N 3.03Å; S316-I319 PolarHBondContact O-N 2.99Å; S316-C320 PolarHBondContact O-N 3.43Å; S316-C320 PolarHBondContact O-SG 2.62Å; S316-H354 VanDerWaalsContact CB-CE1 3.47Å; S316-H354 WeakPolarHBondContact CB-CE1 3.46Å
317E87.2Confident85.6Confident0 Ų034.8 Ų34.80%018%0.184CC..Hα-helixtrans-69.3-43.9176.5-66.4170161.500111.7V313 D314 Q315 I319 C320 L321 L351 H354 R365 L369V313-E317 WeakPolarHBondContact CA-OE2 3.26Å; V313-E317 HydrophobicContact CG1-CB 3.71Å; D314-E317 PolarHBondContact N-OE2 3.31Å; D314-E317 PolarHBondContact O-N 3.48Å; D314-E317 PolarHBondContact OD1-N 3.48Å; Q315-E317 VanDerWaalsContact C-N 3.35Å; E317-I319 PolarHBondContact O-N 3.49Å; E317-C320 PolarHBondContact O-N 2.87Å; E317-L321 VanDerWaalsContact O-CB 3.31Å; E317-L321 WeakPolarHBondContact O-CB 3.21Å; E317-L321 WeakPolarHBondContact O-CG 3.17Å; E317-L321 PolarHBondContact O-N 2.98Å; E317-L351 HydrophobicContact CB-CD1 4.3Å; E317-L351 HydrophobicContact CG-CD1 4.01Å; E317-H354 VanDerWaalsContact CG-CD2 3.46Å; E317-H354 WeakPolarHBondContact CG-CD2 3.46Å; E317-H354 IonicContact OE1-CD2 3.29Å; E317-H354 IonicContact OE1-NE2 3.97Å; E317-R365 IonicContact OE1-CZ 3.87Å; E317-R365 IonicContact OE1-NE 3.18Å; E317-R365 PolarHBondContact OE1-NE 3.2Å; E317-R365 IonicContact OE1-NH2 3.56Å; E317-R365 PolarHBondContact OE1-NH2 3.48Å; E317-R365 IonicContact OE2-CZ 2.69Å; E317-R365 IonicContact OE2-NE 3.59Å; E317-R365 IonicContact OE2-NH2 3.79Å; E317-R365 PolarHBondContact OE2-NH2 2.93Å; E317-L369 HydrophobicContact CB-CD1 4.36Å; E317-L369 HydrophobicContact CB-CD2 4.45Å; E317-L369 VanDerWaalsContact CD-CD1 3.45Å; E317-L369 HydrophobicContact CG-CD1 3.89Å; E317-L369 WeakPolarHBondContact OE1-CD1 3.32Å
318F84.7Confident85.4Confident2 Ų229.8 Ų29.81%0.00917%0.165CC..Hα-helixtrans-57.5-38.3171.7-87.9-66.1000112.1L261 Q265 M268 F308 V313 D314 K322L261-F318 HydrophobicContact CD2-CD1 4.13Å; L261-F318 HydrophobicContact CD2-CE1 4.28Å; L261-F318 WeakPolarHBondContact O-CD1 3.2Å; L261-F318 WeakPolarHBondContact O-CE1 3.36Å; Q265-F318 HydrophobicContact CB-CB 4.46Å; Q265-F318 HydrophobicContact CB-CD1 3.88Å; Q265-F318 HydrophobicContact CB-CD2 3.9Å; Q265-F318 HydrophobicContact CB-CE1 4Å; Q265-F318 HydrophobicContact CB-CE2 4.03Å; Q265-F318 HydrophobicContact CB-CG 3.83Å; Q265-F318 HydrophobicContact CB-CZ 4.08Å; Q265-F318 HydrophobicContact CG-CB 4.22Å; Q265-F318 HydrophobicContact CG-CD2 3.85Å; Q265-F318 HydrophobicContact CG-CE2 4.32Å; Q265-F318 HydrophobicContact CG-CG 3.96Å; M268-F318 HydrophobicContact CE-CZ 4.37Å; M268-F318 HydrophobicContact CG-CE2 4.08Å; M268-F318 HydrophobicContact CG-CZ 4.45Å; F308-F318 AromaticContact CD1-CE1 3.71Å; F308-F318 HydrophobicContact CD1-CE1 3.71Å; F308-F318 AromaticContact CD1-CZ 3.85Å; F308-F318 HydrophobicContact CD1-CZ 3.85Å; F308-F318 AromaticContact CE1-CE1 3.95Å; F308-F318 HydrophobicContact CE1-CE1 3.95Å; V313-F318 HydrophobicContact CB-CD2 4.12Å; V313-F318 HydrophobicContact CB-CE2 3.67Å; V313-F318 HydrophobicContact CB-CZ 3.94Å; V313-F318 HydrophobicContact CG1-CD1 4.16Å; V313-F318 HydrophobicContact CG1-CD2 3.62Å; V313-F318 HydrophobicContact CG1-CE1 4.22Å; V313-F318 HydrophobicContact CG1-CE2 3.68Å; V313-F318 HydrophobicContact CG1-CG 3.87Å; V313-F318 HydrophobicContact CG1-CZ 3.99Å; V313-F318 WeakPolarHBondContact O-CE2 3.45Å; D314-F318 VanDerWaalsContact O-CD2 3.26Å; D314-F318 WeakPolarHBondContact O-CD2 3.31Å; D314-F318 PolarHBondContact O-N 3.38Å; F318-K322 WeakPolarHBondContact O-CB 3.36Å; F318-K322 WeakPolarHBondContact O-CG 3.4Å; F318-K322 PolarHBondContact O-N 2.84Å
319I80Confident85.3Confident46 Ų4630.7 Ų30.724%0.23617%0.171CC..Hα-helixtrans-65.3-46.8176-69.4163.1000110.8L193 Q315 S316 E317 K322 A323L193-I319 HydrophobicContact CB-CG2 3.94Å; L193-I319 HydrophobicContact CD1-CG2 3.61Å; L193-I319 HydrophobicContact CD2-CG2 3.63Å; L193-I319 HydrophobicContact CG-CG2 3.9Å; Q315-I319 HydrophobicContact CG-CD1 4.12Å; Q315-I319 WeakPolarHBondContact O-CD1 3.37Å; Q315-I319 WeakPolarHBondContact O-CG1 3.35Å; Q315-I319 PolarHBondContact O-N 2.76Å; Q315-I319 VanDerWaalsContact O-N 3.11Å; S316-I319 PolarHBondContact O-N 2.99Å; E317-I319 PolarHBondContact O-N 3.49Å; I319-K322 PolarHBondContact O-N 3.14Å; I319-A323 PolarHBondContact O-N 2.83Å; I319-A323 VanDerWaalsContact O-N 3.1Å
320C84.4Confident85.5Confident8 Ų835.4 Ų35.45%0.05419%0.193CC..Hα-helixtrans-65.3-43.4177.3-63.60000112.4S316 E317 K322 A323 I324 L351S316-C320 PolarHBondContact O-N 3.43Å; S316-C320 PolarHBondContact O-SG 2.62Å; E317-C320 PolarHBondContact O-N 2.87Å; C320-K322 VanDerWaalsContact C-N 3.32Å; C320-K322 PolarHBondContact O-N 2.82Å; C320-A323 PolarHBondContact O-N 3.46Å; C320-A323 VanDerWaalsContact O-N 3.16Å; C320-I324 VanDerWaalsContact O-CG1 3.28Å; C320-I324 WeakPolarHBondContact O-CG1 2.9Å; C320-I324 PolarHBondContact O-N 3.32Å; C320-L351 HydrophobicContact CB-CB 3.94Å; C320-L351 HydrophobicContact CB-CD1 3.96Å; C320-L351 HydrophobicContact CB-CG 4.41Å
321L90.3Very high85.6Confident0 Ų030.2 Ų30.20%017%0.167CC..Hα-helixtrans-60.9-39.2177.7-72.7172.5000111.7L261 F308 V313 E317 I324 A325 L351 L369 L373L261-L321 HydrophobicContact CD1-CB 4.39Å; L261-L321 HydrophobicContact CD2-CB 4.09Å; L261-L321 HydrophobicContact CD2-CD1 4.45Å; F308-L321 HydrophobicContact CE1-CD1 4.48Å; V313-L321 HydrophobicContact CG1-CD1 3.87Å; E317-L321 VanDerWaalsContact O-CB 3.31Å; E317-L321 WeakPolarHBondContact O-CB 3.21Å; E317-L321 WeakPolarHBondContact O-CG 3.17Å; E317-L321 PolarHBondContact O-N 2.98Å; L321-I324 PolarHBondContact O-N 3.4Å; L321-A325 VanDerWaalsContact O-CB 3.3Å; L321-A325 WeakPolarHBondContact O-CB 3.49Å; L321-A325 PolarHBondContact O-N 3.09Å; L321-L351 HydrophobicContact CD2-CD2 4.36Å; L321-L369 HydrophobicContact CD1-CD2 4.38Å; L321-L369 HydrophobicContact CD2-CB 4.38Å; L321-L369 WeakPolarHBondContact CD2-O 3.46Å; L321-L373 HydrophobicContact CB-CD2 4.18Å; L321-L373 HydrophobicContact CD2-CD1 4.02Å; L321-L373 HydrophobicContact CD2-CD2 3.95Å; L321-L373 HydrophobicContact CD2-CG 3.87Å
322K84.5Confident85.7Confident23 Ų2340 Ų4010%0.120%0.202CC..Hα-helixtrans-65.2-42.2173.3-73.7171.6-172.5-172.50112.3V200 L258 L261 F318 I319 C320 A325 L326V200-K322 HydrophobicContact CG1-CD 4.39Å; L258-K322 HydrophobicContact CD2-CB 3.76Å; L258-K322 HydrophobicContact CD2-CG 3.98Å; L258-K322 WeakPolarHBondContact CD2-O 3.34Å; L261-K322 HydrophobicContact CB-CD 4.47Å; L261-K322 HydrophobicContact CB-CG 3.81Å; L261-K322 HydrophobicContact CD1-CB 4.43Å; L261-K322 HydrophobicContact CD1-CG 3.75Å; L261-K322 HydrophobicContact CG-CG 4.38Å; F318-K322 WeakPolarHBondContact O-CB 3.36Å; F318-K322 WeakPolarHBondContact O-CG 3.4Å; F318-K322 PolarHBondContact O-N 2.84Å; I319-K322 PolarHBondContact O-N 3.14Å; C320-K322 VanDerWaalsContact C-N 3.32Å; C320-K322 PolarHBondContact O-N 2.82Å; K322-A325 PolarHBondContact O-N 2.93Å; K322-L326 VanDerWaalsContact O-CB 3.29Å; K322-L326 WeakPolarHBondContact O-CB 3.47Å; K322-L326 PolarHBondContact O-N 3.28Å
323A79.9Confident85.7Confident4 Ų439.8 Ų39.83%0.03321%0.206CC..Hα-helixtrans-63.7-41.6176.300000112L193 I319 C320 L326 F327 A347L193-A323 HydrophobicContact CD2-CB 3.72Å; I319-A323 PolarHBondContact O-N 2.83Å; I319-A323 VanDerWaalsContact O-N 3.1Å; C320-A323 PolarHBondContact O-N 3.46Å; C320-A323 VanDerWaalsContact O-N 3.16Å; A323-L326 PolarHBondContact O-N 3.1Å; A323-F327 HydrophobicContact CB-CD2 4.16Å; A323-F327 HydrophobicContact CB-CE2 3.96Å; A323-F327 WeakPolarHBondContact O-CB 3.26Å; A323-F327 WeakPolarHBondContact O-CD2 3.42Å; A323-F327 WeakPolarHBondContact O-CG 3.24Å; A323-F327 PolarHBondContact O-N 3.02Å; A323-A347 HydrophobicContact CB-CB 3.61Å
324I88.4Confident85.3Confident16 Ų1640.5 Ų40.58%0.08221%0.209CC..Hα-helixtrans-66.4-37.3174.3-61.4163.1000111.2C320 L321 A347 V348 L351 L370 L373C320-I324 VanDerWaalsContact O-CG1 3.28Å; C320-I324 WeakPolarHBondContact O-CG1 2.9Å; C320-I324 PolarHBondContact O-N 3.32Å; L321-I324 PolarHBondContact O-N 3.4Å; I324-A347 HydrophobicContact CG1-CB 3.77Å; I324-V348 HydrophobicContact CD1-CG2 3.96Å; I324-V348 HydrophobicContact CG1-CG2 3.96Å; I324-L351 HydrophobicContact CD1-CD2 3.79Å; I324-L370 HydrophobicContact CD1-CD2 4Å; I324-L373 HydrophobicContact CB-CD1 4.02Å; I324-L373 HydrophobicContact CG2-CD1 3.52Å
325A90.9Very high85.3Confident2 Ų243.2 Ų43.22%0.01722%0.218CC..Hα-helixtrans-67.4-36176.300000112.9S254 D257 L261 L321 K322 R328 L373S254-A325 WeakPolarHBondContact CB-O 3.2Å; D257-A325 HydrophobicContact CB-CB 4.33Å; L261-A325 HydrophobicContact CD1-CB 3.98Å; L321-A325 VanDerWaalsContact O-CB 3.3Å; L321-A325 WeakPolarHBondContact O-CB 3.49Å; L321-A325 PolarHBondContact O-N 3.09Å; K322-A325 PolarHBondContact O-N 2.93Å; A325-R328 PolarHBondContact O-NE 3.4Å; A325-R328 PolarHBondContact O-NH2 3.23Å; A325-R328 VanDerWaalsContact O-NH2 3.14Å; A325-L373 HydrophobicContact CB-CD2 4.33Å
326L86.7Confident85.3Confident10 Ų1040.6 Ų40.65%0.05221%0.208CC..Hα-helixtrans-78.1-48.8-179.8175.764.9000112.9C196 L250 L251 L258 K322 A323 R328C196-L326 HydrophobicContact CB-CD2 4.12Å; L250-L326 HydrophobicContact CB-CD1 3.86Å; L250-L326 WeakPolarHBondContact CD2-O 3.41Å; L251-L326 HydrophobicContact CD2-CD1 3.96Å; L251-L326 HydrophobicContact CG-CD1 4.37Å; L258-L326 HydrophobicContact CD1-CB 4.44Å; L258-L326 HydrophobicContact CD1-CD1 4.13Å; L258-L326 HydrophobicContact CD2-CB 4.41Å; K322-L326 VanDerWaalsContact O-CB 3.29Å; K322-L326 WeakPolarHBondContact O-CB 3.47Å; K322-L326 PolarHBondContact O-N 3.28Å; A323-L326 PolarHBondContact O-N 3.1Å; L326-R328 PolarHBondContact O-N 3.36Å
327F84.6Confident85.6Confident17 Ų1740.5 Ų40.58%0.07521%0.206CC..  trans-80.585.1-174.4-60-45.7000111.2L250 A323 P329 V340 L343 Q344L250-F327 HydrophobicContact CD1-CD1 4.47Å; A323-F327 HydrophobicContact CB-CD2 4.16Å; A323-F327 HydrophobicContact CB-CE2 3.96Å; A323-F327 WeakPolarHBondContact O-CB 3.26Å; A323-F327 WeakPolarHBondContact O-CD2 3.42Å; A323-F327 WeakPolarHBondContact O-CG 3.24Å; A323-F327 PolarHBondContact O-N 3.02Å; F327-P329 WeakPolarHBondContact O-CD 3.41Å; F327-V340 HydrophobicContact CB-CG1 3.93Å; F327-L343 HydrophobicContact CB-CB 4.47Å; F327-L343 HydrophobicContact CD1-CB 4.06Å; F327-L343 HydrophobicContact CD1-CD1 4.24Å; F327-L343 HydrophobicContact CD2-CB 3.75Å; F327-L343 HydrophobicContact CE1-CB 4.21Å; F327-L343 HydrophobicContact CE1-CD1 3.95Å; F327-L343 HydrophobicContact CE2-CB 3.9Å; F327-L343 HydrophobicContact CG-CB 3.84Å; F327-L343 HydrophobicContact CZ-CB 4.13Å; F327-L343 HydrophobicContact CZ-CD1 4.27Å; F327-Q344 HydrophobicContact CB-CB 3.98Å; F327-Q344 WeakPolarHBondContact O-CG 3.48Å; F327-Q344 PolarHBondContact O-NE2 3.12Å
328R87.2Confident85.3Confident30 Ų3044.7 Ų44.711%0.11323%0.231CC..  trans-103.896.7176.6-62.4-177.5-171.4-160.5-1.8110.9L250 E253 D257 A325 L326 E330 A331 L334L250-R328 HydrophobicContact CD2-CB 4.37Å; E253-R328 VanDerWaalsContact O-CZ 3.32Å; E253-R328 PolarHBondContact O-NH1 2.85Å; D257-R328 IonicContact OD2-CZ 2.65Å; D257-R328 IonicContact OD2-NH1 2.74Å; D257-R328 IonicContact OD2-NH2 3.98Å; D257-R328 PolarHBondContact OD2-NH2 2.95Å; A325-R328 PolarHBondContact O-NE 3.4Å; A325-R328 PolarHBondContact O-NH2 3.23Å; A325-R328 VanDerWaalsContact O-NH2 3.14Å; L326-R328 PolarHBondContact O-N 3.36Å; R328-E330 PolarHBondContact O-N 3.15Å; R328-E330 VanDerWaalsContact O-N 3.15Å; R328-A331 HydrophobicContact CB-CB 4.26Å; R328-A331 WeakPolarHBondContact O-CB 3.26Å; R328-A331 PolarHBondContact O-N 3.28Å; R328-A331 VanDerWaalsContact O-N 3.12Å; R328-L334 VanDerWaalsContact O-CD1 3.27Å; R328-L334 WeakPolarHBondContact O-CD1 3.48Å
329P88.1Confident84.8Confident20 Ų2049.2 Ų49.213%0.1325%0.253CS..THydrogen-bonded Turntrans-62.6-17.2177.526.3-33.8000113.6F327 A331 P337 V340 E341 Q344F327-P329 WeakPolarHBondContact O-CD 3.41Å; P329-A331 VanDerWaalsContact C-N 3.34Å; P329-P337 HydrophobicContact CB-CB 4.47Å; P329-P337 WeakPolarHBondContact CB-O 3.2Å; P329-P337 VanDerWaalsContact O-CB 3.24Å; P329-P337 WeakPolarHBondContact O-CB 3.38Å; P329-V340 HydrophobicContact CB-CB 4.33Å; P329-V340 HydrophobicContact CB-CG1 4.46Å; P329-E341 HydrophobicContact CB-CB 3.88Å; P329-E341 HydrophobicContact CG-CB 4.11Å; P329-E341 HydrophobicContact CG-CG 4.49Å; P329-Q344 VanDerWaalsContact CD-NE2 3.34Å
330E92Very high84.4Confident139 Ų13947.5 Ų47.565%0.6525%0.245SC*.THydrogen-bonded Turntrans-82.3-6.5177.2-48.482.217700113.8R328 R332R328-E330 PolarHBondContact O-N 3.15Å; R328-E330 VanDerWaalsContact O-N 3.15Å; E330-R332 PolarHBondContact O-N 3.47Å
331A89.1Confident84.3Confident10 Ų1051.7 Ų51.78%0.08326%0.263CS..  trans-62.4136.5-17800000111.7I249 L250 E253 R328 P329 L334I249-A331 HydrophobicContact CG2-CB 3.87Å; L250-A331 HydrophobicContact CD2-CB 4.12Å; E253-A331 HydrophobicContact CG-CB 4.25Å; R328-A331 HydrophobicContact CB-CB 4.26Å; R328-A331 WeakPolarHBondContact O-CB 3.26Å; R328-A331 PolarHBondContact O-N 3.28Å; R328-A331 VanDerWaalsContact O-N 3.12Å; P329-A331 VanDerWaalsContact C-N 3.34Å; A331-L334 HydrophobicContact CB-CD1 3.89Å; A331-L334 HydrophobicContact CB-CG 4.07Å; A331-L334 WeakPolarHBondContact O-CG 3.26Å
332R89Confident83.5Confident218 Ų21854 Ų5482%0.82328%0.277SS*.THydrogen-bonded Turntrans-74133-172.2-65.3179.5178.4179.61110.8I249 E330I249-R332 WeakPolarHBondContact CG2-O 3.35Å; E330-R332 PolarHBondContact O-N 3.47Å
333G86.1Confident82.9Confident59 Ų5955.1 Ų55.161%0.60828%0.284SS*.THydrogen-bonded Turntrans90.22.7177.900000115.6
334L80.3Confident83Confident23 Ų2357.1 Ų57.112%0.1229%0.293CS..  trans-61.2135.4172.1-69.7178.2000112.3I249 L250 R328 A331 P337 V340I249-L334 HydrophobicContact CG2-CD2 4.18Å; I249-L334 HydrophobicContact CG2-CG 4.46Å; L250-L334 HydrophobicContact CD1-CD2 4.48Å; L250-L334 HydrophobicContact CD2-CD1 4.19Å; L250-L334 HydrophobicContact CD2-CD2 4.02Å; L250-L334 HydrophobicContact CG-CD2 4.01Å; R328-L334 VanDerWaalsContact O-CD1 3.27Å; R328-L334 WeakPolarHBondContact O-CD1 3.48Å; A331-L334 HydrophobicContact CB-CD1 3.89Å; A331-L334 HydrophobicContact CB-CG 4.07Å; A331-L334 WeakPolarHBondContact O-CG 3.26Å; L334-P337 HydrophobicContact CB-CB 4.4Å; L334-P337 HydrophobicContact CD1-CB 4.35Å; L334-V340 HydrophobicContact CD1-CB 4.35Å; L334-V340 HydrophobicContact CD1-CG2 3.95Å; L334-V340 HydrophobicContact CD2-CG2 4.3Å
335K81.1Confident82.5Confident110 Ų11061.2 Ų61.248%0.47832%0.315SS..SBendtrans-81.3-32.3179.3-64.3-174.4179.4-179.80114.5N242N242-K335 PolarHBondContact O-NZ 3.18Å; N242-K335 PolarHBondContact OD1-NZ 3.21Å
336D78.4Confident81.7Confident60 Ų6065 Ų6532%0.32133%0.332SS..  trans-13877.7176.6-173.9-9.5000108.5K163 V338 Q339 V340K163-D336 IonicContact NZ-OD2 2.92Å; K163-D336 PolarHBondContact NZ-OD2 2.95Å; D336-V338 PolarHBondContact O-N 2.85Å; D336-V338 PolarHBondContact OD1-N 3.46Å; D336-Q339 HydrophobicContact CB-CB 4.09Å; D336-Q339 VanDerWaalsContact CG-CB 3.49Å; D336-Q339 WeakPolarHBondContact O-CB 3.48Å; D336-Q339 PolarHBondContact O-N 3.16Å; D336-Q339 VanDerWaalsContact O-N 3.15Å; D336-Q339 PolarHBondContact OD1-N 3.12Å; D336-Q339 WeakPolarHBondContact OD2-CB 3.28Å; D336-Q339 PolarHBondContact OD2-OE1 3.25Å; D336-V340 PolarHBondContact O-N 2.86Å
337P84.2Confident81.2Confident54 Ų5464.9 Ų64.935%0.35133%0.333SS..Hα-helixtrans-62.6-29179.525.6-34.3000112P329 L334 Q339 V340 E341P329-P337 HydrophobicContact CB-CB 4.47Å; P329-P337 WeakPolarHBondContact CB-O 3.2Å; P329-P337 VanDerWaalsContact O-CB 3.24Å; P329-P337 WeakPolarHBondContact O-CB 3.38Å; L334-P337 HydrophobicContact CB-CB 4.4Å; L334-P337 HydrophobicContact CD1-CB 4.35Å; P337-Q339 VanDerWaalsContact C-N 3.28Å; P337-Q339 PolarHBondContact O-N 2.85Å; P337-V340 WeakPolarHBondContact O-CA 3.33Å; P337-V340 WeakPolarHBondContact O-CB 3.35Å; P337-V340 PolarHBondContact O-N 3.25Å; P337-E341 PolarHBondContact O-N 2.84Å
338V82.4Confident81.3Confident87 Ų8766 Ų6653%0.52734%0.341SS..Hα-helixtrans-64.4-33.1175.8-177.10000111.2D336 V342D336-V338 PolarHBondContact O-N 2.85Å; D336-V338 PolarHBondContact OD1-N 3.46Å; V338-V342 WeakPolarHBondContact O-CG2 3.33Å; V338-V342 PolarHBondContact O-N 3.43Å
339Q73.8Confident81Confident97 Ų9769.8 Ų69.845%0.45336%0.356SS..Hα-helixtrans-68-35.8171.1-175.8158.7-27.500112.7D336 P337 V342 L343D336-Q339 HydrophobicContact CB-CB 4.09Å; D336-Q339 VanDerWaalsContact CG-CB 3.49Å; D336-Q339 WeakPolarHBondContact O-CB 3.48Å; D336-Q339 PolarHBondContact O-N 3.16Å; D336-Q339 VanDerWaalsContact O-N 3.15Å; D336-Q339 PolarHBondContact OD1-N 3.12Å; D336-Q339 WeakPolarHBondContact OD2-CB 3.28Å; D336-Q339 PolarHBondContact OD2-OE1 3.25Å; P337-Q339 VanDerWaalsContact C-N 3.28Å; P337-Q339 PolarHBondContact O-N 2.85Å; Q339-V342 PolarHBondContact O-N 3.26Å; Q339-L343 WeakPolarHBondContact O-CG 3.33Å; Q339-L343 PolarHBondContact O-N 3.03Å
340V71.9Confident80.4Confident11 Ų1171.5 Ų71.57%0.06736%0.363CS..Hα-helixtrans-69.7-39.9176-176.90000110.6L250 F327 P329 L334 D336 P337 V342 L343 Q344L250-V340 HydrophobicContact CD1-CG1 4.24Å; L250-V340 HydrophobicContact CD1-CG2 4.15Å; L250-V340 HydrophobicContact CD2-CG1 4.03Å; F327-V340 HydrophobicContact CB-CG1 3.93Å; P329-V340 HydrophobicContact CB-CB 4.33Å; P329-V340 HydrophobicContact CB-CG1 4.46Å; L334-V340 HydrophobicContact CD1-CB 4.35Å; L334-V340 HydrophobicContact CD1-CG2 3.95Å; L334-V340 HydrophobicContact CD2-CG2 4.3Å; D336-V340 PolarHBondContact O-N 2.86Å; P337-V340 WeakPolarHBondContact O-CA 3.33Å; P337-V340 WeakPolarHBondContact O-CB 3.35Å; P337-V340 PolarHBondContact O-N 3.25Å; V340-V342 PolarHBondContact O-N 3.27Å; V340-L343 PolarHBondContact O-N 3.04Å; V340-L343 VanDerWaalsContact O-N 3.14Å; V340-Q344 PolarHBondContact O-N 3.08Å
341E81Confident80Confident95 Ų9564.9 Ų64.944%0.44433%0.332SS..Hα-helixtrans-57.5-46.5173-171.7-179.5-163.400111.2P329 P337 L343 Q344 D345P329-E341 HydrophobicContact CB-CB 3.88Å; P329-E341 HydrophobicContact CG-CB 4.11Å; P329-E341 HydrophobicContact CG-CG 4.49Å; P337-E341 PolarHBondContact O-N 2.84Å; E341-L343 VanDerWaalsContact C-N 3.29Å; E341-L343 PolarHBondContact O-N 3.13Å; E341-Q344 WeakPolarHBondContact O-CB 3.44Å; E341-Q344 PolarHBondContact O-N 2.99Å; E341-Q344 VanDerWaalsContact O-N 3.16Å; E341-D345 WeakPolarHBondContact O-CB 3.35Å; E341-D345 PolarHBondContact O-N 3.13Å
342V73Confident79.9Confident48 Ų4866.2 Ų66.229%0.29134%0.339SS..Hα-helixtrans-62.2-33.2175.8169.40000112.9L165 V338 Q339 V340 Q346L165-V342 HydrophobicContact CD1-CG1 4.4Å; V338-V342 WeakPolarHBondContact O-CG2 3.33Å; V338-V342 PolarHBondContact O-N 3.43Å; Q339-V342 PolarHBondContact O-N 3.26Å; V340-V342 PolarHBondContact O-N 3.27Å; V342-Q346 VanDerWaalsContact O-CG 3.23Å; V342-Q346 WeakPolarHBondContact O-CG 3.5Å; V342-Q346 PolarHBondContact O-N 3.49Å
343L73.2Confident79.6Confident48 Ų4857.6 Ų57.625%0.25131%0.308SS..Hα-helixtrans-75.1-36.5175.2-68.9169.1000111.8F327 Q339 V340 E341 Q346 A347F327-L343 HydrophobicContact CB-CB 4.47Å; F327-L343 HydrophobicContact CD1-CB 4.06Å; F327-L343 HydrophobicContact CD1-CD1 4.24Å; F327-L343 HydrophobicContact CD2-CB 3.75Å; F327-L343 HydrophobicContact CE1-CB 4.21Å; F327-L343 HydrophobicContact CE1-CD1 3.95Å; F327-L343 HydrophobicContact CE2-CB 3.9Å; F327-L343 HydrophobicContact CG-CB 3.84Å; F327-L343 HydrophobicContact CZ-CB 4.13Å; F327-L343 HydrophobicContact CZ-CD1 4.27Å; Q339-L343 WeakPolarHBondContact O-CG 3.33Å; Q339-L343 PolarHBondContact O-N 3.03Å; V340-L343 PolarHBondContact O-N 3.04Å; V340-L343 VanDerWaalsContact O-N 3.14Å; E341-L343 VanDerWaalsContact C-N 3.29Å; E341-L343 PolarHBondContact O-N 3.13Å; L343-Q346 PolarHBondContact O-N 3.36Å; L343-A347 PolarHBondContact O-N 3.47Å
344Q81.9Confident79.3Confident45 Ų4557.1 Ų57.121%0.2129%0.29CS..Hα-helixtrans-62.9-48.8172.4-168.5-170.278.700110.9F327 P329 V340 E341 Q346 A347 V348F327-Q344 HydrophobicContact CB-CB 3.98Å; F327-Q344 WeakPolarHBondContact O-CG 3.48Å; F327-Q344 PolarHBondContact O-NE2 3.12Å; P329-Q344 VanDerWaalsContact CD-NE2 3.34Å; V340-Q344 PolarHBondContact O-N 3.08Å; E341-Q344 WeakPolarHBondContact O-CB 3.44Å; E341-Q344 PolarHBondContact O-N 2.99Å; E341-Q344 VanDerWaalsContact O-N 3.16Å; Q344-Q346 VanDerWaalsContact C-N 3.27Å; Q344-Q346 PolarHBondContact O-N 3.09Å; Q344-A347 PolarHBondContact O-N 3.37Å; Q344-A347 VanDerWaalsContact O-N 3.09Å; Q344-V348 WeakPolarHBondContact O-CG2 3.29Å; Q344-V348 PolarHBondContact O-N 2.91Å
345D78.7Confident79.6Confident102 Ų10256.1 Ų56.155%0.54529%0.285SS..Hα-helixtrans-53.9-42.3174.1-95.8-6.6000112.1E341 Y349E341-D345 WeakPolarHBondContact O-CB 3.35Å; E341-D345 PolarHBondContact O-N 3.13Å; D345-Y349 VanDerWaalsContact O-CB 3.31Å; D345-Y349 WeakPolarHBondContact O-CB 3.29Å; D345-Y349 PolarHBondContact O-N 3.49Å
346Q73.3Confident79.8Confident81 Ų8154.9 Ų54.938%0.37928%0.281SS..Hα-helixtrans-64.8-44.5176.2-75.7170.41800111.8V342 L343 Q344 Y349 M350V342-Q346 VanDerWaalsContact O-CG 3.23Å; V342-Q346 WeakPolarHBondContact O-CG 3.5Å; V342-Q346 PolarHBondContact O-N 3.49Å; L343-Q346 PolarHBondContact O-N 3.36Å; Q344-Q346 VanDerWaalsContact C-N 3.27Å; Q344-Q346 PolarHBondContact O-N 3.09Å; Q346-Y349 PolarHBondContact O-N 2.88Å; Q346-M350 VanDerWaalsContact O-CG 3.3Å; Q346-M350 WeakPolarHBondContact O-CG 3.34Å; Q346-M350 PolarHBondContact O-N 3.13Å
347A75.8Confident79.8Confident9 Ų955 Ų557%0.07429%0.29CS..Hα-helixtrans-64.1-40.717700000112.4A323 I324 L343 Q344 M350 L351A323-A347 HydrophobicContact CB-CB 3.61Å; I324-A347 HydrophobicContact CG1-CB 3.77Å; L343-A347 PolarHBondContact O-N 3.47Å; Q344-A347 PolarHBondContact O-N 3.37Å; Q344-A347 VanDerWaalsContact O-N 3.09Å; A347-M350 PolarHBondContact O-N 3.21Å; A347-L351 PolarHBondContact O-N 2.94Å
348V87.2Confident79.2Confident40 Ų4053.7 Ų53.724%0.24228%0.282CS..Hα-helixtrans-63.7-45.2173.6173.70000110.9I324 Q344 M350 L351 V352 F366I324-V348 HydrophobicContact CD1-CG2 3.96Å; I324-V348 HydrophobicContact CG1-CG2 3.96Å; Q344-V348 WeakPolarHBondContact O-CG2 3.29Å; Q344-V348 PolarHBondContact O-N 2.91Å; V348-M350 PolarHBondContact O-N 3.32Å; V348-L351 WeakPolarHBondContact O-CB 3.48Å; V348-L351 PolarHBondContact O-N 3.16Å; V348-V352 WeakPolarHBondContact O-CG2 3.43Å; V348-V352 PolarHBondContact O-N 3.21Å; V348-F366 HydrophobicContact CG1-CE2 4.01Å; V348-F366 HydrophobicContact CG1-CZ 3.8Å
349Y81.4Confident78.1Confident110 Ų11058.3 Ų58.343%0.43130%0.298SS..Hα-helixtrans-61-44.7176.7174.4-102.6000112.1N170 D345 Q346 L351 V352 Q353N170-Y349 PolarHBondContact O-OH 3.18Å; D345-Y349 VanDerWaalsContact O-CB 3.31Å; D345-Y349 WeakPolarHBondContact O-CB 3.29Å; D345-Y349 PolarHBondContact O-N 3.49Å; Q346-Y349 PolarHBondContact O-N 2.88Å; Y349-L351 VanDerWaalsContact C-N 3.31Å; Y349-L351 PolarHBondContact O-N 3.2Å; Y349-V352 WeakPolarHBondContact O-CB 3.4Å; Y349-V352 PolarHBondContact O-N 2.83Å; Y349-Q353 HydrophobicContact CD1-CG 4.18Å; Y349-Q353 HydrophobicContact CD2-CG 4.32Å; Y349-Q353 HydrophobicContact CE1-CG 3.69Å; Y349-Q353 HydrophobicContact CE2-CG 3.83Å; Y349-Q353 HydrophobicContact CG-CG 4.48Å; Y349-Q353 VanDerWaalsContact CZ-CG 3.49Å; Y349-Q353 WeakPolarHBondContact O-CG 3.39Å; Y349-Q353 PolarHBondContact O-N 2.65Å
350M74.7Confident77.7Confident56 Ų5659.9 Ų59.928%0.27631%0.308SS..Hα-helixtrans-58.7-42.7175.1-71.4-61.4-65.500111.7L186 Q346 A347 V348 Q353 H354L186-M350 HydrophobicContact CD1-CE 4.37Å; Q346-M350 VanDerWaalsContact O-CG 3.3Å; Q346-M350 WeakPolarHBondContact O-CG 3.34Å; Q346-M350 PolarHBondContact O-N 3.13Å; A347-M350 PolarHBondContact O-N 3.21Å; V348-M350 PolarHBondContact O-N 3.32Å; M350-Q353 PolarHBondContact O-N 3.01Å; M350-H354 WeakPolarHBondContact O-CB 3.48Å; M350-H354 PolarHBondContact O-N 3.26Å
351L83Confident77.8Confident0 Ų063.9 Ų63.90%033%0.329CS..Hα-helixtrans-63-42.1175.1-171.459.8000112.1E317 C320 L321 I324 A347 V348 Y349 H354 C355 F366 L369 L370E317-L351 HydrophobicContact CB-CD1 4.3Å; E317-L351 HydrophobicContact CG-CD1 4.01Å; C320-L351 HydrophobicContact CB-CB 3.94Å; C320-L351 HydrophobicContact CB-CD1 3.96Å; C320-L351 HydrophobicContact CB-CG 4.41Å; L321-L351 HydrophobicContact CD2-CD2 4.36Å; I324-L351 HydrophobicContact CD1-CD2 3.79Å; A347-L351 PolarHBondContact O-N 2.94Å; V348-L351 WeakPolarHBondContact O-CB 3.48Å; V348-L351 PolarHBondContact O-N 3.16Å; Y349-L351 VanDerWaalsContact C-N 3.31Å; Y349-L351 PolarHBondContact O-N 3.2Å; L351-H354 PolarHBondContact O-N 2.96Å; L351-C355 WeakPolarHBondContact O-CB 3.38Å; L351-C355 PolarHBondContact O-N 2.74Å; L351-C355 PolarHBondContact O-SG 3.3Å; L351-F366 HydrophobicContact CB-CD2 4.4Å; L351-F366 HydrophobicContact CB-CE2 4.37Å; L351-F366 HydrophobicContact CD2-CD2 4.07Å; L351-F366 HydrophobicContact CD2-CE2 4.12Å; L351-F366 HydrophobicContact CG-CD2 3.97Å; L351-F366 HydrophobicContact CG-CE2 4.27Å; L351-L369 HydrophobicContact CD1-CD1 3.99Å; L351-L369 HydrophobicContact CD2-CB 4.43Å; L351-L370 HydrophobicContact CD2-CD2 3.99Å
352V88.1Confident77.4Confident37 Ų3761.7 Ų61.722%0.22432%0.323CS..Hα-helixtrans-60.8-46.6174.7171.80000111.1V348 Y349 C355 Q356 F366V348-V352 WeakPolarHBondContact O-CG2 3.43Å; V348-V352 PolarHBondContact O-N 3.21Å; Y349-V352 WeakPolarHBondContact O-CB 3.4Å; Y349-V352 PolarHBondContact O-N 2.83Å; V352-C355 PolarHBondContact O-N 3.42Å; V352-Q356 HydrophobicContact CG1-CG 4.26Å; V352-Q356 WeakPolarHBondContact O-CB 3.42Å; V352-Q356 VanDerWaalsContact O-CG 3.23Å; V352-Q356 WeakPolarHBondContact O-CG 3.46Å; V352-Q356 PolarHBondContact O-N 2.97Å; V352-F366 HydrophobicContact CB-CD2 4.47Å; V352-F366 HydrophobicContact CG2-CD1 4.38Å; V352-F366 HydrophobicContact CG2-CD2 3.57Å; V352-F366 HydrophobicContact CG2-CE1 4.16Å; V352-F366 HydrophobicContact CG2-CE2 3.32Å; V352-F366 HydrophobicContact CG2-CG 4.1Å; V352-F366 HydrophobicContact CG2-CZ 3.62Å
353Q82.2Confident77.4Confident37 Ų3765.6 Ų65.617%0.17335%0.347CS..Hα-helixtrans-61.7-44.3178.7-68.7-54-77.800111.9Y349 M350 Q356 A357Y349-Q353 HydrophobicContact CD1-CG 4.18Å; Y349-Q353 HydrophobicContact CD2-CG 4.32Å; Y349-Q353 HydrophobicContact CE1-CG 3.69Å; Y349-Q353 HydrophobicContact CE2-CG 3.83Å; Y349-Q353 HydrophobicContact CG-CG 4.48Å; Y349-Q353 VanDerWaalsContact CZ-CG 3.49Å; Y349-Q353 WeakPolarHBondContact O-CG 3.39Å; Y349-Q353 PolarHBondContact O-N 2.65Å; M350-Q353 PolarHBondContact O-N 3.01Å; Q353-Q356 PolarHBondContact O-N 3.44Å; Q353-A357 PolarHBondContact O-N 3.5Å
354H80.5Confident78Confident50 Ų5068.9 Ų68.923%0.23136%0.361CS..Hα-helixtrans-64.6-42.4177.2-171.880.4000112.5D314 S316 E317 M350 L351 Q356 A357 S358D314-H354 IonicContact OD1-CE1 3.86Å; D314-H354 IonicContact OD1-NE2 2.71Å; D314-H354 PolarHBondContact OD1-NE2 3.43Å; D314-H354 IonicContact OD2-CD2 3.98Å; D314-H354 IonicContact OD2-CE1 2.67Å; D314-H354 IonicContact OD2-NE2 3.88Å; D314-H354 PolarHBondContact OD2-NE2 3.41Å; S316-H354 VanDerWaalsContact CB-CE1 3.47Å; S316-H354 WeakPolarHBondContact CB-CE1 3.46Å; E317-H354 VanDerWaalsContact CG-CD2 3.46Å; E317-H354 WeakPolarHBondContact CG-CD2 3.46Å; E317-H354 IonicContact OE1-CD2 3.29Å; E317-H354 IonicContact OE1-NE2 3.97Å; M350-H354 WeakPolarHBondContact O-CB 3.48Å; M350-H354 PolarHBondContact O-N 3.26Å; L351-H354 PolarHBondContact O-N 2.96Å; H354-Q356 VanDerWaalsContact C-N 3.34Å; H354-Q356 PolarHBondContact O-N 3.29Å; H354-A357 PolarHBondContact O-N 2.97Å; H354-S358 PolarHBondContact O-N 2.92Å; H354-S358 PolarHBondContact O-OG 2.75Å
355C86.7Confident78.4Confident1 Ų169 Ų691%0.00736%0.36CS..Hα-helixtrans-64.4-35.9173.1-68.20000112.6L351 V352 S358 P362 R365 F366L351-C355 WeakPolarHBondContact O-CB 3.38Å; L351-C355 PolarHBondContact O-N 2.74Å; L351-C355 PolarHBondContact O-SG 3.3Å; V352-C355 PolarHBondContact O-N 3.42Å; C355-S358 VanDerWaalsContact O-CB 3.31Å; C355-S358 WeakPolarHBondContact O-CB 3.3Å; C355-S358 PolarHBondContact O-N 2.69Å; C355-P362 WeakPolarHBondContact O-CA 3.31Å; C355-P362 WeakPolarHBondContact O-CB 3.34Å; C355-R365 HydrophobicContact CB-CB 4.43Å; C355-F366 HydrophobicContact CB-CB 4.03Å; C355-F366 VanDerWaalsContact SG-CA 3.58Å
356Q84.4Confident79Confident84 Ų8466.7 Ų66.739%0.39335%0.345SS..Hα-helixtrans-70.9-29.7176.6-76.8174.4-8.700112.9V352 Q353 H354 S358V352-Q356 HydrophobicContact CG1-CG 4.26Å; V352-Q356 WeakPolarHBondContact O-CB 3.42Å; V352-Q356 VanDerWaalsContact O-CG 3.23Å; V352-Q356 WeakPolarHBondContact O-CG 3.46Å; V352-Q356 PolarHBondContact O-N 2.97Å; Q353-Q356 PolarHBondContact O-N 3.44Å; H354-Q356 VanDerWaalsContact C-N 3.34Å; H354-Q356 PolarHBondContact O-N 3.29Å; Q356-S358 VanDerWaalsContact C-N 3.29Å
357A77.5Confident80Confident63 Ų6364.2 Ų64.252%0.52134%0.341SS..Hα-helixtrans-75.9-17.1171.900000113.2Q353 H354Q353-A357 PolarHBondContact O-N 3.5Å; H354-A357 PolarHBondContact O-N 2.97Å
358S72.2Confident80.8Confident26 Ų2670.4 Ų70.418%0.18236%0.363CS..  trans-73.6130.7178.1-61.90000111.7H354 C355 Q356 I360H354-S358 PolarHBondContact O-N 2.92Å; H354-S358 PolarHBondContact O-OG 2.75Å; C355-S358 VanDerWaalsContact O-CB 3.31Å; C355-S358 WeakPolarHBondContact O-CB 3.3Å; C355-S358 PolarHBondContact O-N 2.69Å; Q356-S358 VanDerWaalsContact C-N 3.29Å; S358-I360 PolarHBondContact O-N 3.02Å
359Q59.4Low81.1Confident185 Ų18568.5 Ų68.586%0.86435%0.351SS*.SBendtrans-71-14.1-175.2-62.3-64-35.100114.5
360I66.2Low81.7Confident129 Ų12965.8 Ų65.866%0.66234%0.344SS*.SBendtrans-116.5115.3-172.1-55.6179.4000110.1S358S358-I360 PolarHBondContact O-N 3.02Å
361N72.9Confident82.6Confident96 Ų9668.9 Ų68.951%0.51336%0.361SS..  trans45.254.8173.8-64.3-28.7000114.7T363 Q364 R365N361-T363 VanDerWaalsContact C-N 3.3Å; N361-T363 PolarHBondContact O-N 3.33Å; N361-T363 VanDerWaalsContact O-N 3.15Å; N361-Q364 HydrophobicContact CB-CB 4.17Å; N361-Q364 HydrophobicContact CB-CG 4.42Å; N361-Q364 PolarHBondContact O-N 2.88Å; N361-R365 PolarHBondContact O-N 3.25Å
362P73.2Confident83.2Confident49 Ų4969.4 Ų69.432%0.31836%0.364SS..Hα-helixtrans-53.7-42.4-170.120.7-34.4000113.5C355 Q364 R365C355-P362 WeakPolarHBondContact O-CA 3.31Å; C355-P362 WeakPolarHBondContact O-CB 3.34Å; P362-Q364 VanDerWaalsContact C-N 3.33Å; P362-Q364 PolarHBondContact O-N 3.22Å; P362-R365 PolarHBondContact O-N 3.24Å
363T73.8Confident83.6Confident130 Ų13068.2 Ų68.280%0.79836%0.356SS*.Hα-helixtrans-64.9-33.4178.3-42.30000113.2N361N361-T363 VanDerWaalsContact C-N 3.3Å; N361-T363 PolarHBondContact O-N 3.33Å; N361-T363 VanDerWaalsContact O-N 3.15Å
364Q85.6Confident84.2Confident117 Ų11769.9 Ų69.955%0.54737%0.37SS..Hα-helixtrans-86.3-32.1-179.2-57.8179.79.700111.9N361 P362 F366 G367 R368N361-Q364 HydrophobicContact CB-CB 4.17Å; N361-Q364 HydrophobicContact CB-CG 4.42Å; N361-Q364 PolarHBondContact O-N 2.88Å; P362-Q364 VanDerWaalsContact C-N 3.33Å; P362-Q364 PolarHBondContact O-N 3.22Å; Q364-F366 PolarHBondContact O-N 2.91Å; Q364-G367 PolarHBondContact O-N 3.33Å; Q364-R368 WeakPolarHBondContact O-CG 3.31Å; Q364-R368 PolarHBondContact O-N 3.32Å
365R90.3Very high84.9Confident48 Ų4869.5 Ų69.518%0.18137%0.369CS..Hα-helixtrans-58.1-48.1-178.2-171.3167.3-178.583.52.7111.4C311 A312 D314 E317 C355 N361 P362 G367 R368 L369C311-R365 PolarHBondContact O-NH1 3.41Å; A312-R365 PolarHBondContact O-NH2 2.92Å; D314-R365 IonicContact OD2-NH2 3.26Å; E317-R365 IonicContact OE1-CZ 3.87Å; E317-R365 IonicContact OE1-NE 3.18Å; E317-R365 PolarHBondContact OE1-NE 3.2Å; E317-R365 IonicContact OE1-NH2 3.56Å; E317-R365 PolarHBondContact OE1-NH2 3.48Å; E317-R365 IonicContact OE2-CZ 2.69Å; E317-R365 IonicContact OE2-NE 3.59Å; E317-R365 IonicContact OE2-NH2 3.79Å; E317-R365 PolarHBondContact OE2-NH2 2.93Å; C355-R365 HydrophobicContact CB-CB 4.43Å; N361-R365 PolarHBondContact O-N 3.25Å; P362-R365 PolarHBondContact O-N 3.24Å; R365-G367 PolarHBondContact O-N 2.85Å; R365-R368 PolarHBondContact O-N 3.03Å; R365-L369 HydrophobicContact CG-CD1 3.85Å; R365-L369 VanDerWaalsContact O-CG 3.28Å; R365-L369 WeakPolarHBondContact O-CG 3.1Å; R365-L369 PolarHBondContact O-N 3.5Å
366F91.7Very high85.3Confident52 Ų5269.4 Ų69.423%0.22837%0.369CS..Hα-helixtrans-54.3-50.6174.5174.7-107.3000112.7V348 L351 V352 C355 Q364 R368 L369 L370V348-F366 HydrophobicContact CG1-CE2 4.01Å; V348-F366 HydrophobicContact CG1-CZ 3.8Å; L351-F366 HydrophobicContact CB-CD2 4.4Å; L351-F366 HydrophobicContact CB-CE2 4.37Å; L351-F366 HydrophobicContact CD2-CD2 4.07Å; L351-F366 HydrophobicContact CD2-CE2 4.12Å; L351-F366 HydrophobicContact CG-CD2 3.97Å; L351-F366 HydrophobicContact CG-CE2 4.27Å; V352-F366 HydrophobicContact CB-CD2 4.47Å; V352-F366 HydrophobicContact CG2-CD1 4.38Å; V352-F366 HydrophobicContact CG2-CD2 3.57Å; V352-F366 HydrophobicContact CG2-CE1 4.16Å; V352-F366 HydrophobicContact CG2-CE2 3.32Å; V352-F366 HydrophobicContact CG2-CG 4.1Å; V352-F366 HydrophobicContact CG2-CZ 3.62Å; C355-F366 HydrophobicContact CB-CB 4.03Å; C355-F366 VanDerWaalsContact SG-CA 3.58Å; Q364-F366 PolarHBondContact O-N 2.91Å; F366-R368 PolarHBondContact O-N 3.45Å; F366-L369 PolarHBondContact O-N 3.49Å; F366-L370 HydrophobicContact CD1-CD1 4.36Å; F366-L370 HydrophobicContact CE1-CD1 3.64Å; F366-L370 HydrophobicContact CE1-CG 4.48Å; F366-L370 HydrophobicContact CE2-CD1 3.91Å; F366-L370 HydrophobicContact CE2-CD2 4.46Å; F366-L370 HydrophobicContact CE2-CG 4.12Å; F366-L370 HydrophobicContact CZ-CD1 3.38Å; F366-L370 HydrophobicContact CZ-CG 4.1Å; F366-L370 PolarHBondContact O-N 3.27Å
367G92.4Very high85.6Confident29 Ų2971.7 Ų71.730%0.29937%0.374SS..Hα-helixtrans-62.2-42.3178.800000113.1Q364 R365 L369 L370 L371Q364-G367 PolarHBondContact O-N 3.33Å; R365-G367 PolarHBondContact O-N 2.85Å; G367-L369 PolarHBondContact O-N 2.9Å; G367-L370 PolarHBondContact O-N 2.95Å; G367-L371 VanDerWaalsContact O-CG 3.26Å; G367-L371 WeakPolarHBondContact O-CG 2.96Å; G367-L371 PolarHBondContact O-N 3.4Å; G367-L371 VanDerWaalsContact O-N 3.09Å
368R92.5Very high86.4Confident139 Ų13972.3 Ų72.353%0.52537%0.371SS..Hα-helixtrans-62.4-42177-73.4178.268.2118.6-2112.2Q364 R365 F366 L371 L372Q364-R368 WeakPolarHBondContact O-CG 3.31Å; Q364-R368 PolarHBondContact O-N 3.32Å; R365-R368 PolarHBondContact O-N 3.03Å; F366-R368 PolarHBondContact O-N 3.45Å; R368-L371 PolarHBondContact O-N 2.99Å; R368-L372 PolarHBondContact O-N 3.06Å
369L93.7Very high87.3Confident0 Ų071.4 Ų71.40%037%0.365CS..Hα-helixtrans-67.4-43.6179.5-67.9164.7000111.7V313 E317 L321 L351 R365 F366 G367 L371 L372V313-L369 HydrophobicContact CB-CD2 4.32Å; V313-L369 HydrophobicContact CG1-CD2 4.07Å; V313-L369 HydrophobicContact CG2-CD2 3.7Å; E317-L369 HydrophobicContact CB-CD1 4.36Å; E317-L369 HydrophobicContact CB-CD2 4.45Å; E317-L369 VanDerWaalsContact CD-CD1 3.45Å; E317-L369 HydrophobicContact CG-CD1 3.89Å; E317-L369 WeakPolarHBondContact OE1-CD1 3.32Å; L321-L369 HydrophobicContact CD1-CD2 4.38Å; L321-L369 HydrophobicContact CD2-CB 4.38Å; L321-L369 WeakPolarHBondContact CD2-O 3.46Å; L351-L369 HydrophobicContact CD1-CD1 3.99Å; L351-L369 HydrophobicContact CD2-CB 4.43Å; R365-L369 HydrophobicContact CG-CD1 3.85Å; R365-L369 VanDerWaalsContact O-CG 3.28Å; R365-L369 WeakPolarHBondContact O-CG 3.1Å; R365-L369 PolarHBondContact O-N 3.5Å; F366-L369 PolarHBondContact O-N 3.49Å; G367-L369 PolarHBondContact O-N 2.9Å; L369-L371 VanDerWaalsContact C-N 3.28Å; L369-L371 PolarHBondContact O-N 3.06Å; L369-L372 HydrophobicContact CD2-CD1 4.29Å; L369-L372 WeakPolarHBondContact O-CB 3.36Å; L369-L372 PolarHBondContact O-N 2.82Å; L369-L372 VanDerWaalsContact O-N 3.12Å
370L94.3Very high88.8Confident53 Ų5364.5 Ų64.528%0.27734%0.337SS..Hα-helixtrans-61.5-36.2174.4-72.2-171.3000112.7I324 L351 F366 G367 L372 L373 P374I324-L370 HydrophobicContact CD1-CD2 4Å; L351-L370 HydrophobicContact CD2-CD2 3.99Å; F366-L370 HydrophobicContact CD1-CD1 4.36Å; F366-L370 HydrophobicContact CE1-CD1 3.64Å; F366-L370 HydrophobicContact CE1-CG 4.48Å; F366-L370 HydrophobicContact CE2-CD1 3.91Å; F366-L370 HydrophobicContact CE2-CD2 4.46Å; F366-L370 HydrophobicContact CE2-CG 4.12Å; F366-L370 HydrophobicContact CZ-CD1 3.38Å; F366-L370 HydrophobicContact CZ-CG 4.1Å; F366-L370 PolarHBondContact O-N 3.27Å; G367-L370 PolarHBondContact O-N 2.95Å; L370-L372 PolarHBondContact O-N 3.01Å; L370-L373 HydrophobicContact CD2-CD1 4.42Å; L370-L373 PolarHBondContact O-N 2.82Å; L370-P374 WeakPolarHBondContact O-CD 3.11Å
371L95Very high89.8Confident121 Ų12160.3 Ų60.363%0.63432%0.318SS*.THydrogen-bonded Turntrans-68.7-8.4177-72.1171.2000114.1G367 R368 L369G367-L371 VanDerWaalsContact O-CG 3.26Å; G367-L371 WeakPolarHBondContact O-CG 2.96Å; G367-L371 PolarHBondContact O-N 3.4Å; G367-L371 VanDerWaalsContact O-N 3.09Å; R368-L371 PolarHBondContact O-N 2.99Å; L369-L371 VanDerWaalsContact C-N 3.28Å; L369-L371 PolarHBondContact O-N 3.06Å
372L95.6Very high90.5Very high11 Ų1161.4 Ų61.46%0.05832%0.324CS..THydrogen-bonded Turntrans-77.5-30.6170.4-61.7174.5000112.4R307 F308 C311 V313 R368 L369 L370 L375R307-L372 HydrophobicContact CB-CD2 4.42Å; F308-L372 HydrophobicContact CD1-CD1 3.85Å; F308-L372 HydrophobicContact CD2-CD2 4.43Å; F308-L372 HydrophobicContact CE1-CB 4.15Å; F308-L372 HydrophobicContact CE1-CD1 3.78Å; F308-L372 HydrophobicContact CE2-CB 4.13Å; F308-L372 HydrophobicContact CE2-CD2 4.38Å; F308-L372 HydrophobicContact CG-CD1 4.25Å; F308-L372 HydrophobicContact CZ-CB 3.72Å; F308-L372 HydrophobicContact CZ-CD1 4.14Å; F308-L372 HydrophobicContact CZ-CG 4.39Å; C311-L372 HydrophobicContact CB-CD1 4.17Å; V313-L372 HydrophobicContact CG2-CD1 3.65Å; R368-L372 PolarHBondContact O-N 3.06Å; L369-L372 HydrophobicContact CD2-CD1 4.29Å; L369-L372 WeakPolarHBondContact O-CB 3.36Å; L369-L372 PolarHBondContact O-N 2.82Å; L369-L372 VanDerWaalsContact O-N 3.12Å; L370-L372 PolarHBondContact O-N 3.01Å; L372-L375 HydrophobicContact CD2-CD1 4.35Å; L372-L375 WeakPolarHBondContact O-CB 3.34Å; L372-L375 PolarHBondContact O-N 2.84Å; L372-L375 VanDerWaalsContact O-N 3.13Å
373L95.4Very high91Very high13 Ų1363.1 Ų63.17%0.06833%0.326CS..Hα-helixtrans-65-41.2-175.7-63.2174.9000113.8L261 L321 I324 A325 L370 L375 L376L261-L373 HydrophobicContact CD1-CD2 4.24Å; L321-L373 HydrophobicContact CB-CD2 4.18Å; L321-L373 HydrophobicContact CD2-CD1 4.02Å; L321-L373 HydrophobicContact CD2-CD2 3.95Å; L321-L373 HydrophobicContact CD2-CG 3.87Å; I324-L373 HydrophobicContact CB-CD1 4.02Å; I324-L373 HydrophobicContact CG2-CD1 3.52Å; A325-L373 HydrophobicContact CB-CD2 4.33Å; L370-L373 HydrophobicContact CD2-CD1 4.42Å; L370-L373 PolarHBondContact O-N 2.82Å; L373-L375 PolarHBondContact O-N 3.19Å; L373-L376 HydrophobicContact CD2-CD1 4.03Å; L373-L376 PolarHBondContact O-N 3.17Å
374P95.6Very high91.4Very high72 Ų7256.9 Ų56.947%0.46829%0.288SS..Hα-helixtrans-60.9-26.7172.6-25.335.5000113.9L370 L376 R377L370-P374 WeakPolarHBondContact O-CD 3.11Å; P374-L376 VanDerWaalsContact C-N 3.3Å; P374-L376 PolarHBondContact O-N 2.75Å; P374-R377 PolarHBondContact O-N 2.92Å
375L94.9Very high91.1Very high41 Ų4153 Ų5322%0.21527%0.27CS..Hα-helixtrans-76-15.5178.9-56.2178.6000113.4L304 L372 L373 T378L304-L375 WeakPolarHBondContact CD1-O 3.17Å; L304-L375 HydrophobicContact CD2-CB 3.8Å; L304-L375 HydrophobicContact CD2-CD1 4.44Å; L372-L375 HydrophobicContact CD2-CD1 4.35Å; L372-L375 WeakPolarHBondContact O-CB 3.34Å; L372-L375 PolarHBondContact O-N 2.84Å; L372-L375 VanDerWaalsContact O-N 3.13Å; L373-L375 PolarHBondContact O-N 3.19Å; L375-T378 PolarHBondContact O-OG1 3.15Å
376L94.3Very high90.4Very high0 Ų052.8 Ų52.80%028%0.279CS..Hα-helixtrans-77.3-42.5173.1-57.9175.2000110.5D257 L260 L261 Y264 F308 L373 P374 T378 V379D257-L376 HydrophobicContact CB-CB 4.29Å; D257-L376 HydrophobicContact CB-CD1 4.16Å; D257-L376 WeakPolarHBondContact OD1-CB 3.28Å; L260-L376 HydrophobicContact CB-CD2 3.92Å; L260-L376 HydrophobicContact CD1-CB 4.36Å; L260-L376 HydrophobicContact CD1-CD2 4.1Å; L261-L376 HydrophobicContact CD1-CD1 3.9Å; L261-L376 HydrophobicContact CD2-CD1 3.89Å; L261-L376 HydrophobicContact CG-CD1 3.57Å; Y264-L376 HydrophobicContact CD2-CD2 4.3Å; Y264-L376 HydrophobicContact CE2-CD2 3.71Å; F308-L376 HydrophobicContact CE2-CD2 3.9Å; F308-L376 HydrophobicContact CZ-CD1 4.49Å; F308-L376 HydrophobicContact CZ-CD2 3.89Å; F308-L376 HydrophobicContact CZ-CG 4.4Å; L373-L376 HydrophobicContact CD2-CD1 4.03Å; L373-L376 PolarHBondContact O-N 3.17Å; P374-L376 VanDerWaalsContact C-N 3.3Å; P374-L376 PolarHBondContact O-N 2.75Å; L376-T378 PolarHBondContact O-N 3.42Å; L376-V379 PolarHBondContact O-N 3.31Å
377R91.5Very high89.5Confident131 Ų13150.8 Ų50.849%0.49427%0.27SS..THydrogen-bonded Turntrans-65.3-8.4-179.4-63.5-171177.4104.9-8.9114.9D257 P374 V379D257-R377 IonicContact OD2-NE 3.71Å; P374-R377 PolarHBondContact O-N 2.92Å; R377-V379 VanDerWaalsContact C-N 3.3Å
378T93.4Very high88.5Confident76 Ų7651 Ų5147%0.46626%0.263SS..THydrogen-bonded Turntrans-78.6-16171.5600000112.6Y300 L375 L376Y300-T378 WeakPolarHBondContact CE1-OG1 3.39Å; Y300-T378 WeakPolarHBondContact OH-CB 3.23Å; Y300-T378 PolarHBondContact OH-OG1 2.91Å; L375-T378 PolarHBondContact O-OG1 3.15Å; L376-T378 PolarHBondContact O-N 3.42Å
379V91.4Very high87.5Confident7 Ų744.7 Ų44.74%0.04224%0.24CC..SBendtrans-96.6113.7175.4-167.70000108.9N256 L260 Y300 L301 L304 L376 R377 I384N256-V379 PolarHBondContact ND2-O 3.03Å; L260-V379 HydrophobicContact CD1-CB 4.06Å; L260-V379 HydrophobicContact CD1-CG2 4.17Å; Y300-V379 HydrophobicContact CD1-CG2 4.02Å; Y300-V379 HydrophobicContact CE1-CG2 3.79Å; L301-V379 HydrophobicContact CD2-CG1 4.13Å; L301-V379 HydrophobicContact CD2-CG2 4.01Å; L304-V379 HydrophobicContact CD1-CG2 3.72Å; L376-V379 PolarHBondContact O-N 3.31Å; R377-V379 VanDerWaalsContact C-N 3.3Å; V379-I384 HydrophobicContact CG1-CD1 3.69Å; V379-I384 HydrophobicContact CG1-CG1 3.91Å
380S90.5Very high86.1Confident41 Ų4146.5 Ų46.529%0.28726%0.258SS..  trans-69.8147.5-178.759.60000112.4D382 K383 I384S380-D382 VanDerWaalsContact C-N 3.29Å; S380-D382 PolarHBondContact O-N 3.35Å; S380-K383 WeakPolarHBondContact O-CB 3.47Å; S380-K383 PolarHBondContact O-N 3.16Å; S380-K383 VanDerWaalsContact O-N 3.13Å; S380-K383 WeakPolarHBondContact OG-CG 3.48Å; S380-I384 PolarHBondContact O-N 3.45Å
381P88.4Confident84.6Confident41 Ų4150 Ų5027%0.26627%0.273SS..Hα-helixtrans-54.8-43.3175.220-31.6000112W255 N256 K383 I384 E385W255-P381 HydrophobicContact CH2-CB 4.31Å; W255-P381 HydrophobicContact CZ2-CB 3.44Å; W255-P381 VanDerWaalsContact CZ2-CB 3.44Å; N256-P381 HydrophobicContact CB-CB 4.28Å; P381-K383 PolarHBondContact O-N 2.81Å; P381-I384 PolarHBondContact O-N 2.78Å; P381-E385 PolarHBondContact O-N 2.84Å
382D86.3Confident83.1Confident118 Ų11847 Ų4763%0.63126%0.259SS*.Hα-helixtrans-56.3-35.3178.6-44.2-56.4000113.2S380 A386S380-D382 VanDerWaalsContact C-N 3.29Å; S380-D382 PolarHBondContact O-N 3.35Å; D382-A386 WeakPolarHBondContact O-CB 3.3Å; D382-A386 PolarHBondContact O-N 2.83Å
383K84.7Confident81.4Confident85 Ų8547.2 Ų47.237%0.3726%0.261SS..Hα-helixtrans-69.7-46.3176.5-76.8179.5179.3-164.30110.7D297 S380 P381 E385 A386 M387D297-K383 WeakPolarHBondContact OD1-CE 3.37Å; D297-K383 IonicContact OD1-NZ 3.95Å; D297-K383 PolarHBondContact OD1-NZ 3.19Å; S380-K383 WeakPolarHBondContact O-CB 3.47Å; S380-K383 PolarHBondContact O-N 3.16Å; S380-K383 VanDerWaalsContact O-N 3.13Å; S380-K383 WeakPolarHBondContact OG-CG 3.48Å; P381-K383 PolarHBondContact O-N 2.81Å; K383-E385 VanDerWaalsContact C-N 3.3Å; K383-E385 PolarHBondContact O-N 3.18Å; K383-A386 PolarHBondContact O-N 2.86Å; K383-M387 VanDerWaalsContact O-CB 3.28Å; K383-M387 WeakPolarHBondContact O-CB 3.47Å; K383-M387 WeakPolarHBondContact O-CG 3.39Å; K383-M387 PolarHBondContact O-N 3.32Å
384I81.5Confident79.9Confident0 Ų057.8 Ų57.80%030%0.3CS..Hα-helixtrans-61.2-42.3176.1-63.5-56.8000110.6W255 F259 L260 L301 V379 S380 P381 M387 F388 F389W255-I384 HydrophobicContact CH2-CB 4.09Å; W255-I384 HydrophobicContact CH2-CG2 3.88Å; W255-I384 HydrophobicContact CZ3-CB 4.3Å; W255-I384 HydrophobicContact CZ3-CG2 3.64Å; F259-I384 HydrophobicContact CD1-CG2 3.52Å; F259-I384 HydrophobicContact CE1-CG2 3.69Å; F259-I384 HydrophobicContact CG-CG2 4.33Å; L260-I384 HydrophobicContact CD2-CD1 3.73Å; L260-I384 HydrophobicContact CG-CD1 4.31Å; L301-I384 HydrophobicContact CD1-CD1 4.42Å; L301-I384 HydrophobicContact CD2-CD1 4.36Å; V379-I384 HydrophobicContact CG1-CD1 3.69Å; V379-I384 HydrophobicContact CG1-CG1 3.91Å; S380-I384 PolarHBondContact O-N 3.45Å; P381-I384 PolarHBondContact O-N 2.78Å; I384-M387 PolarHBondContact O-N 3.48Å; I384-F388 HydrophobicContact CD1-CD2 4.36Å; I384-F388 HydrophobicContact CD1-CE2 4.12Å; I384-F388 HydrophobicContact CG2-CD2 4.13Å; I384-F388 PolarHBondContact O-N 2.95Å; I384-F389 HydrophobicContact CG2-CD2 4.23Å; I384-F389 HydrophobicContact CG2-CE2 3.93Å
385E78.7Confident78.6Confident34 Ų3457.7 Ų57.716%0.15931%0.311CS..Iπ-helixtrans-60.1-51.5175.9-170.2176.2120.900111.3W255 P381 K383 M387 F389 G390 P397 M398W255-E385 HydrophobicContact CH2-CB 4.44Å; P381-E385 PolarHBondContact O-N 2.84Å; K383-E385 VanDerWaalsContact C-N 3.3Å; K383-E385 PolarHBondContact O-N 3.18Å; E385-M387 PolarHBondContact O-N 3.2Å; E385-F389 HydrophobicContact CG-CB 4.23Å; E385-F389 CarbonylContact O-C 3.34Å; E385-F389 VanDerWaalsContact O-CA 3.3Å; E385-F389 WeakPolarHBondContact O-CA 3.47Å; E385-F389 WeakPolarHBondContact O-CB 3.45Å; E385-F389 PolarHBondContact O-N 3.47Å; E385-G390 PolarHBondContact O-N 2.98Å; E385-P397 VanDerWaalsContact OE2-CA 3.31Å; E385-P397 WeakPolarHBondContact OE2-CA 3.23Å; E385-M398 PolarHBondContact OE2-N 2.81Å
386A76.6Confident77.6Confident45 Ų4560 Ų6037%0.37232%0.32SS..Iπ-helixtrans-59.8-44.5176.800000112.6L290 D382 K383L290-A386 WeakPolarHBondContact CD1-O 3.17Å; L290-A386 WeakPolarHBondContact CD2-O 3.39Å; D382-A386 WeakPolarHBondContact O-CB 3.3Å; D382-A386 PolarHBondContact O-N 2.83Å; K383-A386 PolarHBondContact O-N 2.86Å
387M72.9Confident76.9Confident10 Ų1062.9 Ų62.95%0.04934%0.339CS..Iπ-helixtrans-70.9-39.2-175.1-69.3175.180.900113.7F293 D297 W298 L301 K383 I384 E385F293-M387 HydrophobicContact CD2-CB 4.24Å; F293-M387 HydrophobicContact CD2-CE 4.27Å; F293-M387 HydrophobicContact CD2-CG 3.68Å; F293-M387 HydrophobicContact CE2-CB 4.07Å; F293-M387 HydrophobicContact CE2-CE 3.58Å; F293-M387 HydrophobicContact CE2-CG 3.74Å; F293-M387 HydrophobicContact CZ-CE 4.26Å; D297-M387 HydrophobicContact CB-CE 4.29Å; D297-M387 HydrophobicContact CB-SD 4.16Å; W298-M387 HydrophobicContact CB-CE 4.2Å; W298-M387 HydrophobicContact CE3-CE 3.93Å; L301-M387 HydrophobicContact CD1-CE 3.57Å; L301-M387 HydrophobicContact CD1-SD 4.05Å; L301-M387 HydrophobicContact CG-CE 4.44Å; K383-M387 VanDerWaalsContact O-CB 3.28Å; K383-M387 WeakPolarHBondContact O-CB 3.47Å; K383-M387 WeakPolarHBondContact O-CG 3.39Å; K383-M387 PolarHBondContact O-N 3.32Å; I384-M387 PolarHBondContact O-N 3.48Å; E385-M387 PolarHBondContact O-N 3.2Å
388F71.2Confident76.1Confident32 Ų3256.7 Ų56.714%0.1432%0.315CS..Iπ-helixtrans-117.2-24.1-170.2-63.6-82000114.3F259 M263 L284 W298 L301 I384 H391F259-F388 AromaticContact CE1-CD2 3.74Å; F259-F388 HydrophobicContact CE1-CD2 3.74Å; F259-F388 HydrophobicContact CE1-CE2 4Å; F259-F388 HydrophobicContact CE1-CG 4.02Å; F259-F388 HydrophobicContact CE1-CZ 4.49Å; F259-F388 HydrophobicContact CZ-CB 4.1Å; F259-F388 HydrophobicContact CZ-CD1 4.04Å; F259-F388 HydrophobicContact CZ-CD2 4.01Å; F259-F388 HydrophobicContact CZ-CE1 4.49Å; F259-F388 HydrophobicContact CZ-CE2 4.46Å; F259-F388 AromaticContact CZ-CG 3.78Å; F259-F388 HydrophobicContact CZ-CG 3.78Å; M263-F388 HydrophobicContact CE-CZ 4.29Å; M263-F388 HydrophobicContact SD-CE1 3.98Å; M263-F388 HydrophobicContact SD-CE2 4.38Å; M263-F388 HydrophobicContact SD-CZ 3.65Å; L284-F388 HydrophobicContact CD1-CE1 4.37Å; W298-F388 HydrophobicContact CZ3-CE1 4.14Å; W298-F388 HydrophobicContact CZ3-CZ 4.01Å; L301-F388 HydrophobicContact CD1-CE2 3.8Å; L301-F388 HydrophobicContact CD1-CZ 3.98Å; I384-F388 HydrophobicContact CD1-CD2 4.36Å; I384-F388 HydrophobicContact CD1-CE2 4.12Å; I384-F388 HydrophobicContact CG2-CD2 4.13Å; I384-F388 PolarHBondContact O-N 2.95Å; F388-H391 PolarHBondContact O-CE1 3.48Å
389F71.4Confident75.4Confident8 Ų855.6 Ų55.64%0.03531%0.305CS..Iπ-helixtrans-124.1-10.3-165.4-61.8-63.9000115.3F207 W255 F259 I384 E385 H391 V392 V393 M398F207-F389 HydrophobicContact CB-CE1 3.93Å; F207-F389 HydrophobicContact CB-CZ 4.13Å; F207-F389 HydrophobicContact CD1-CD1 4.22Å; F207-F389 AromaticContact CD1-CE1 3.33Å; F207-F389 HydrophobicContact CD1-CE1 3.33Å; F207-F389 AromaticContact CD1-CZ 3.87Å; F207-F389 HydrophobicContact CD1-CZ 3.87Å; F207-F389 HydrophobicContact CD2-CE1 4.31Å; F207-F389 HydrophobicContact CD2-CZ 4.02Å; F207-F389 HydrophobicContact CE1-CD1 4.48Å; F207-F389 AromaticContact CE1-CE1 3.85Å; F207-F389 HydrophobicContact CE1-CE1 3.85Å; F207-F389 HydrophobicContact CE1-CZ 4.26Å; F207-F389 HydrophobicContact CE2-CZ 4.41Å; F207-F389 AromaticContact CG-CE1 3.6Å; F207-F389 HydrophobicContact CG-CE1 3.6Å; F207-F389 AromaticContact CG-CZ 3.74Å; F207-F389 HydrophobicContact CG-CZ 3.74Å; W255-F389 HydrophobicContact CZ3-CD2 4.32Å; W255-F389 HydrophobicContact CZ3-CE2 4.01Å; F259-F389 HydrophobicContact CD2-CE2 4.05Å; F259-F389 AromaticContact CD2-CZ 3.71Å; F259-F389 HydrophobicContact CD2-CZ 3.71Å; F259-F389 HydrophobicContact CE1-CE2 4.41Å; F259-F389 HydrophobicContact CE2-CE1 4.49Å; F259-F389 AromaticContact CE2-CE2 3.91Å; F259-F389 HydrophobicContact CE2-CE2 3.91Å; F259-F389 AromaticContact CE2-CZ 3.45Å; F259-F389 HydrophobicContact CE2-CZ 3.45Å; F259-F389 VanDerWaalsContact CE2-CZ 3.45Å; F259-F389 HydrophobicContact CG-CE2 4.37Å; F259-F389 HydrophobicContact CG-CZ 4.46Å; F259-F389 HydrophobicContact CZ-CE2 4.09Å; F259-F389 HydrophobicContact CZ-CZ 4.01Å; I384-F389 HydrophobicContact CG2-CD2 4.23Å; I384-F389 HydrophobicContact CG2-CE2 3.93Å; E385-F389 HydrophobicContact CG-CB 4.23Å; E385-F389 CarbonylContact O-C 3.34Å; E385-F389 VanDerWaalsContact O-CA 3.3Å; E385-F389 WeakPolarHBondContact O-CA 3.47Å; E385-F389 WeakPolarHBondContact O-CB 3.45Å; E385-F389 PolarHBondContact O-N 3.47Å; F389-H391 PolarHBondContact O-N 3.35Å; F389-V392 PolarHBondContact O-N 2.99Å; F389-V393 HydrophobicContact CB-CG2 3.91Å; F389-V393 PolarHBondContact O-N 3.29Å; F389-M398 HydrophobicContact CB-CE 3.98Å; F389-M398 HydrophobicContact CD1-CE 3.7Å; F389-M398 HydrophobicContact CD2-CE 3.46Å; F389-M398 VanDerWaalsContact CD2-CE 3.46Å; F389-M398 HydrophobicContact CE1-CE 3.99Å; F389-M398 HydrophobicContact CE2-CE 3.75Å; F389-M398 HydrophobicContact CG-CE 3.41Å; F389-M398 VanDerWaalsContact CG-CE 3.41Å; F389-M398 HydrophobicContact CZ-CE 4Å
390G65.2Low74.6Confident37 Ų3760.3 Ų60.338%0.38133%0.325SS..THydrogen-bonded Turntrans-55.8-30.4-174.700000114.8E385E385-G390 PolarHBondContact O-N 2.98Å
391H62.5Low73.8Confident128 Ų12859.9 Ų59.959%0.59332%0.321SS*.THydrogen-bonded Turntrans-79.2-33.317566.9-83.5000113.4F388 F389F388-H391 PolarHBondContact O-CE1 3.48Å; F389-H391 PolarHBondContact O-N 3.35Å
392V62.2Low73Confident56 Ų5658.3 Ų58.334%0.33931%0.31SS..THydrogen-bonded Turntrans-76.2-46.9-176.8-172.20000111.1I210 F389 R394I210-V392 HydrophobicContact CD1-CG1 4.13Å; I210-V392 HydrophobicContact CG2-CG2 3.68Å; F389-V392 PolarHBondContact O-N 2.99Å; V392-R394 PolarHBondContact O-N 3.06Å
393V60.4Low72.3Confident17 Ų1753.8 Ų53.810%0.10329%0.287CS..SBendtrans-89.6-4.2-160.5-1710000113F389 G395 K396 M398 V401F389-V393 HydrophobicContact CB-CG2 3.91Å; F389-V393 PolarHBondContact O-N 3.29Å; V393-G395 PolarHBondContact O-N 2.58Å; V393-K396 HydrophobicContact CG1-CB 3.78Å; V393-K396 WeakPolarHBondContact CG1-O 3.12Å; V393-K396 PolarHBondContact O-N 2.88Å; V393-K396 VanDerWaalsContact O-N 3.15Å; V393-M398 HydrophobicContact CG2-CE 4.34Å; V393-V401 HydrophobicContact CB-CG2 4.44Å; V393-V401 HydrophobicContact CG1-CG2 3.25Å; V393-V401 HydrophobicContact CG2-CG2 4.32Å
394R64.4Low71.5Confident235 Ų23552.4 Ų52.489%0.88728%0.284SS*.THydrogen-bonded Turntrans51.636.5179.4-58.3-173177.6-139.90.7113.2V392 K396V392-R394 PolarHBondContact O-N 3.06Å; R394-K396 VanDerWaalsContact C-N 3.34Å; R394-K396 PolarHBondContact O-N 3.33Å
395G67.8Low70.8Confident69 Ų6957 Ų5771%0.71131%0.308SS*.THydrogen-bonded Turntrans72.414.9178.800000116V393V393-G395 PolarHBondContact O-N 2.58Å
396K73.7Confident70Confident89 Ų8958.3 Ų58.339%0.38731%0.312SS..  trans-75.4146.4157.7-65.8-179.1173.6-173.90108.8V393 R394 K400 D404V393-K396 HydrophobicContact CG1-CB 3.78Å; V393-K396 WeakPolarHBondContact CG1-O 3.12Å; V393-K396 PolarHBondContact O-N 2.88Å; V393-K396 VanDerWaalsContact O-N 3.15Å; R394-K396 VanDerWaalsContact C-N 3.34Å; R394-K396 PolarHBondContact O-N 3.33Å; K396-K400 HydrophobicContact CD-CD 4.39Å; K396-K400 HydrophobicContact CG-CD 4.48Å; K396-D404 IonicContact NZ-OD2 2.69Å; K396-D404 PolarHBondContact NZ-OD2 3.03Å
397P79.3Confident69.3Low61 Ų6161.4 Ų61.440%0.39632%0.317SS..  trans-69.8146.8168.829.3-33.7000110.5E385 E399 K400 V401E385-P397 VanDerWaalsContact OE2-CA 3.31Å; E385-P397 WeakPolarHBondContact OE2-CA 3.23Å; P397-E399 VanDerWaalsContact C-N 3.25Å; P397-E399 PolarHBondContact O-N 2.77Å; P397-K400 HydrophobicContact CG-CB 3.91Å; P397-K400 WeakPolarHBondContact O-CB 3.22Å; P397-K400 PolarHBondContact O-N 3.45Å; P397-V401 PolarHBondContact O-N 2.86Å
398M76.2Confident68.2Low1 Ų173.8 Ų73.81%0.00536%0.363CS..Hα-helixtrans-56.8-36.9-178-177.86174.800112.5F207 W255 E385 F389 V393 K400 V401 L402F207-M398 HydrophobicContact CE1-CE 3.95Å; F207-M398 HydrophobicContact CE1-SD 4.13Å; F207-M398 HydrophobicContact CZ-CE 3.95Å; F207-M398 HydrophobicContact CZ-SD 3.77Å; W255-M398 HydrophobicContact CD2-CB 4.19Å; W255-M398 HydrophobicContact CD2-CG 3.57Å; W255-M398 HydrophobicContact CE3-CB 4.5Å; W255-M398 HydrophobicContact CE3-CG 3.72Å; W255-M398 HydrophobicContact CG-CG 4.17Å; W255-M398 HydrophobicContact CH2-CB 3.88Å; W255-M398 HydrophobicContact CH2-CG 3.95Å; W255-M398 HydrophobicContact CZ2-CB 3.49Å; W255-M398 VanDerWaalsContact CZ2-CB 3.49Å; W255-M398 HydrophobicContact CZ2-CG 3.8Å; W255-M398 HydrophobicContact CZ3-CB 4.37Å; W255-M398 HydrophobicContact CZ3-CE 4.33Å; W255-M398 HydrophobicContact CZ3-CG 3.91Å; E385-M398 PolarHBondContact OE2-N 2.81Å; F389-M398 HydrophobicContact CB-CE 3.98Å; F389-M398 HydrophobicContact CD1-CE 3.7Å; F389-M398 HydrophobicContact CD2-CE 3.46Å; F389-M398 VanDerWaalsContact CD2-CE 3.46Å; F389-M398 HydrophobicContact CE1-CE 3.99Å; F389-M398 HydrophobicContact CE2-CE 3.75Å; F389-M398 HydrophobicContact CG-CE 3.41Å; F389-M398 VanDerWaalsContact CG-CE 3.41Å; F389-M398 HydrophobicContact CZ-CE 4Å; V393-M398 HydrophobicContact CG2-CE 4.34Å; M398-K400 PolarHBondContact O-N 3.46Å; M398-V401 WeakPolarHBondContact O-CA 3.16Å; M398-V401 WeakPolarHBondContact O-CB 3.09Å; M398-V401 PolarHBondContact O-N 3.12Å; M398-V401 HydrophobicContact SD-CB 4.23Å; M398-L402 HydrophobicContact CG-CD1 4.34Å; M398-L402 HydrophobicContact CG-CG 4.47Å; M398-L402 WeakPolarHBondContact O-CG 3.28Å; M398-L402 PolarHBondContact O-N 3.36Å
399E78Confident68.1Low53 Ų5375.9 Ų75.925%0.24837%0.374CS..Hα-helixtrans-55.3-43175.1-62.473.7-161.600110.3E252 W255 P397 V401 L402 C403E252-E399 HydrophobicContact CB-CB 4.45Å; E252-E399 HydrophobicContact CB-CG 4.22Å; E252-E399 HydrophobicContact CG-CB 4.05Å; E252-E399 HydrophobicContact CG-CG 4.36Å; W255-E399 PolarHBondContact NE1-OE1 2.97Å; P397-E399 VanDerWaalsContact C-N 3.25Å; P397-E399 PolarHBondContact O-N 2.77Å; E399-V401 VanDerWaalsContact C-N 3.33Å; E399-V401 PolarHBondContact O-N 3.43Å; E399-L402 PolarHBondContact O-N 3.46Å; E399-C403 WeakPolarHBondContact O-CB 3.35Å; E399-C403 PolarHBondContact O-N 2.93Å
400K75.4Confident67.9Low107 Ų10779.5 Ų79.547%0.46539%0.392SS..Hα-helixtrans-67.3-32.4176.5-173172.4-175.2172.70112.4K396 P397 M398 D404K396-K400 HydrophobicContact CD-CD 4.39Å; K396-K400 HydrophobicContact CG-CD 4.48Å; P397-K400 HydrophobicContact CG-CB 3.91Å; P397-K400 WeakPolarHBondContact O-CB 3.22Å; P397-K400 PolarHBondContact O-N 3.45Å; M398-K400 PolarHBondContact O-N 3.46Å; K400-D404 VanDerWaalsContact O-CB 3.29Å; K400-D404 WeakPolarHBondContact O-CB 3.38Å; K400-D404 PolarHBondContact O-N 3.35Å
401V73Confident68Low32 Ų3281.8 Ų81.819%0.19439%0.393CS..Hα-helixtrans-65.8-46.9173.1-174.60000110.6V393 P397 M398 E399 C403 D404 L405V393-V401 HydrophobicContact CB-CG2 4.44Å; V393-V401 HydrophobicContact CG1-CG2 3.25Å; V393-V401 HydrophobicContact CG2-CG2 4.32Å; P397-V401 PolarHBondContact O-N 2.86Å; M398-V401 WeakPolarHBondContact O-CA 3.16Å; M398-V401 WeakPolarHBondContact O-CB 3.09Å; M398-V401 PolarHBondContact O-N 3.12Å; M398-V401 HydrophobicContact SD-CB 4.23Å; E399-V401 VanDerWaalsContact C-N 3.33Å; E399-V401 PolarHBondContact O-N 3.43Å; V401-C403 VanDerWaalsContact C-N 3.32Å; V401-C403 PolarHBondContact O-N 3.13Å; V401-D404 PolarHBondContact O-N 3.47Å; V401-L405 HydrophobicContact CG1-CD1 3.92Å; V401-L405 HydrophobicContact CG1-CG 4.29Å; V401-L405 WeakPolarHBondContact O-CB 3.48Å; V401-L405 VanDerWaalsContact O-CG 3.26Å; V401-L405 WeakPolarHBondContact O-CG 3.41Å; V401-L405 PolarHBondContact O-N 2.77Å
402L71.2Confident68.4Low8 Ų879.1 Ų79.14%0.04238%0.381CS..Hα-helixtrans-59.8-44.9175.8-63.2169.7000110.5W255 M398 E399 D404 L405 Y406W255-L402 HydrophobicContact CB-CD1 3.63Å; W255-L402 HydrophobicContact CG-CD1 3.88Å; M398-L402 HydrophobicContact CG-CD1 4.34Å; M398-L402 HydrophobicContact CG-CG 4.47Å; M398-L402 WeakPolarHBondContact O-CG 3.28Å; M398-L402 PolarHBondContact O-N 3.36Å; E399-L402 PolarHBondContact O-N 3.46Å; L402-D404 PolarHBondContact O-N 2.95Å; L402-L405 PolarHBondContact O-N 3.07Å; L402-Y406 WeakPolarHBondContact O-CD2 2.99Å; L402-Y406 PolarHBondContact O-N 2.93Å
403C71.2Confident68.8Low23 Ų2380.6 Ų80.616%0.15538%0.383CS..Hα-helixtrans-60.1-42.5174.9-133.20000112.6E252 E399 V401 K407E252-C403 PolarHBondContact OE1-SG 2.8Å; E399-C403 WeakPolarHBondContact O-CB 3.35Å; E399-C403 PolarHBondContact O-N 2.93Å; V401-C403 VanDerWaalsContact C-N 3.32Å; V401-C403 PolarHBondContact O-N 3.13Å; C403-K407 WeakPolarHBondContact O-CD 3.33Å; C403-K407 WeakPolarHBondContact O-CG 3.49Å; C403-K407 PolarHBondContact O-N 3.2Å; C403-K407 PolarHBondContact SG-NZ 2.69Å
404D69.3Low69.3Low55 Ų5584.8 Ų84.829%0.29440%0.402SS..Hα-helixtrans-72-30.1178.3-75.1-7.5000112K396 K400 V401 L402K396-D404 IonicContact NZ-OD2 2.69Å; K396-D404 PolarHBondContact NZ-OD2 3.03Å; K400-D404 VanDerWaalsContact O-CB 3.29Å; K400-D404 WeakPolarHBondContact O-CB 3.38Å; K400-D404 PolarHBondContact O-N 3.35Å; V401-D404 PolarHBondContact O-N 3.47Å; L402-D404 PolarHBondContact O-N 2.95Å
405L66.2Low69.7Low97 Ų9774.1 Ų74.151%0.50837%0.368SS..Hα-helixtrans-74.9-40.1176.8-75.8171.2000112.7V401 L402 K407V401-L405 HydrophobicContact CG1-CD1 3.92Å; V401-L405 HydrophobicContact CG1-CG 4.29Å; V401-L405 WeakPolarHBondContact O-CB 3.48Å; V401-L405 VanDerWaalsContact O-CG 3.26Å; V401-L405 WeakPolarHBondContact O-CG 3.41Å; V401-L405 PolarHBondContact O-N 2.77Å; L402-L405 PolarHBondContact O-N 3.07Å; L405-K407 VanDerWaalsContact C-N 3.34Å
406Y61.9Low69.8Low61 Ų6174.5 Ų74.524%0.23934%0.341CS..THydrogen-bonded Turntrans-84.1-3.1-178.4-86.9-93.3000115V199 I248 L251 L402V199-Y406 WeakPolarHBondContact CG1-OH 3.3Å; V199-Y406 WeakPolarHBondContact CG2-OH 2.8Å; I248-Y406 HydrophobicContact CG1-CD1 4.41Å; I248-Y406 HydrophobicContact CG1-CG 4.1Å; L251-Y406 HydrophobicContact CD1-CD2 4.28Å; L251-Y406 HydrophobicContact CD1-CE1 4.17Å; L251-Y406 HydrophobicContact CD1-CE2 3.55Å; L251-Y406 VanDerWaalsContact CD1-CZ 3.5Å; L402-Y406 WeakPolarHBondContact O-CD2 2.99Å; L402-Y406 PolarHBondContact O-N 2.93Å
407K62.9Low69.5Low110 Ų11073.3 Ų73.348%0.47834%0.337SS..THydrogen-bonded Turntrans-96.1-0173.6-73.4169.8-168.3157.40113.4W241 C403 L405W241-K407 HydrophobicContact CH2-CG 4.34Å; W241-K407 HydrophobicContact CZ2-CG 4.21Å; C403-K407 WeakPolarHBondContact O-CD 3.33Å; C403-K407 WeakPolarHBondContact O-CG 3.49Å; C403-K407 PolarHBondContact O-N 3.2Å; C403-K407 PolarHBondContact SG-NZ 2.69Å; L405-K407 VanDerWaalsContact C-N 3.34Å
408R49.3Very low68.6Low271 Ų27174.4 Ų74.4100%1.02333%0.332SS*.  trans-100.10174.3-65.3177.6-179-157.8-2.4109.9

Retrieved 408 of 408 residues in 67.2 ms (Link to these results)