A0A096LV46_POEFO Loading...

Nuclear respiratory factor 1

AlphaFold DB , UniProt , Accession A0A096LV46, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 500 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
1M39.5Very low37Very low220 Ų220143.9 Ų143.9100%1.08477%0.767SS**  054.20-63.5-173.6175.100106.5
2D37.7Very low36.5Very low139 Ų139146.2 Ų146.274%0.74377%0.773SS**  72.912278.5-58.7-44.9000107.6
3E37.7Very low36.4Very low158 Ų158146 Ų14674%0.73878%0.782SS**  cis-169.3152.217-118.7-175.8115.300107.6
4H37.8Very low36.3Very low167 Ų167144.1 Ų144.177%0.77378%0.778SS**  trans35.4144133.7-75.1-49.2000121.3
5A34.7Very low36.2Very low73 Ų73144.2 Ų144.260%0.60378%0.776SS**  cis169.91458.800000109.2
6V37.3Very low35.9Very low138 Ų138146.4 Ų146.484%0.83678%0.78SS**  trans79.1104.7130.6-179.30000120
7N38.3Very low35.8Very low147 Ų147143.2 Ų143.279%0.78678%0.779SS**  trans-50.4162.5145.5-113.7-15.7000111.9
8P45.3Very low35.5Very low100 Ų100142.2 Ų142.265%0.64978%0.784SS**  -163.1178.163.444.5-21.5000118.4
9T32.5Very low35.3Very low115 Ų115140 Ų14071%0.70679%0.787SS**  trans28.7142.6141.852.10000120.5
10E31.2Very low35.2Very low153 Ų153140 Ų14072%0.71579%0.789SS**  cis-176.9154.337.2-113.1161-167.100105
11H35.1Very low35Very low173 Ų173138.2 Ų138.280%0.80179%0.786SS**  174.814695.7-93.6-79.2000111.5
12M31.6Very low34.6Very low171 Ų171136.7 Ų136.784%0.84278%0.777SS**  trans-93.4142.9176.1-148.2173.874.800110
13T34.9Very low34.3Very low144 Ų144138.2 Ų138.288%0.88378%0.779SS**  trans-159.2130.9152.715.80000113
14T34.2Very low34Very low120 Ų120136.4 Ų136.474%0.73678%0.778SS**  trans-78.9169.3169-65.50000111.6
15I35.1Very low33.5Very low145 Ų145137.4 Ų137.474%0.74478%0.783SS**  trans131.8139.5154.6-70.6159.6000109.4
16E32.1Very low33.4Very low180 Ų180140 Ų14084%0.84179%0.792SS**  cis-166.7170.1-12.9-107.9-174.1142.300106.8
17A33.1Very low33Very low92 Ų92139.7 Ų139.776%0.7679%0.79SS**  trans-65.8155.3173.600000114.6
18S30.8Very low32.8Very low124 Ų124138.5 Ų138.587%0.86779%0.788SS**  trans-151.2115.2149.3-91.70000111.3
19A32.3Very low32.1Very low101 Ų101143.7 Ų143.784%0.83580%0.801SS**  trans-82.2139.9161.600000109
20V33.1Very low32.1Very low139 Ų139144.5 Ų144.584%0.84281%0.806SS**  trans-134.9123.6159.4174.50000108.9
21S31.6Very low32Very low104 Ų104146.8 Ų146.873%0.72782%0.816SS**  trans-79.4147.2174.2-174.50000110.8
22Q31.4Very low32.1Very low188 Ų188143.2 Ų143.288%0.87982%0.817SS**  trans-159149.9147.3-118.1170.21800113.9
23Q29.8Very low32.2Very low170 Ų170141 Ų14179%0.79482%0.818SS**  trans-90147.3-151.5-70.6151.2-57.300115.7
24V32.4Very low32.3Very low120 Ų120142.5 Ų142.573%0.72782%0.817SS**  trans11128.3133.8-170.20000118
25H27.4Very low32.4Very low189 Ų189145.7 Ų145.788%0.87583%0.826SS**  trans-149.8130.2137.5-95.576.3000110.4
26V31.9Very low32.3Very low128 Ų128143.4 Ų143.478%0.77682%0.823SS**  trans-111.5126168.8168.60000107
27T29.7Very low32.7Very low130 Ų130139.8 Ų139.880%0.79882%0.824SS**  trans-157.7136.5149.338.30000110.9
28T33.6Very low33.1Very low122 Ų122143.2 Ų143.275%0.74882%0.824SS**  trans-60.2140.4-179.944.60000115.7
29F30.7Very low33.5Very low210 Ų210146 Ų14692%0.92182%0.823SS**  trans-145130.4146.5-91.3-81.5000110.5
30T32.4Very low33.7Very low131 Ų131148 Ų14880%0.80482%0.82SS**  trans-80.9128.2172.340.50000110.9
31E29.1Very low34Very low201 Ų201145.8 Ų145.894%0.93981%0.811SS**  trans-165146.5138.8-124.1174.816200111.9
32A37.9Very low34.2Very low98 Ų98146.8 Ų146.881%0.8181%0.813SS**  trans-74.6143.9-164.700000114.3
33S32.1Very low34.2Very low124 Ų124143.2 Ų143.287%0.86781%0.808SS**  trans-147.4116.5148.7-1480000109.8
34M38.6Very low34.7Very low176 Ų176140.4 Ų140.487%0.86781%0.808SS**  trans-59.2139.9175.1-55.2170.9-163.300110
35M34.9Very low35.6Very low188 Ų188140 Ų14093%0.92681%0.808SS**  -172122.9124.8-72.6-14574.600108.2
36S34.6Very low35.9Very low96 Ų96138.5 Ų138.567%0.67181%0.806SS**  trans-63.3142.4-173.8-59.20000113.7E38S36-E38 WeakPolarHBondContact CB-OE1 3.45Å
37A39.3Very low36.3Very low104 Ų104139.8 Ų139.886%0.8681%0.808SS**  trans-94.995.2160.100000107.5
38E40.7Very low37.3Very low165 Ų165140.7 Ų140.777%0.77181%0.808SS**  trans-92.3111.316531.9-117.6133.700109.6S36 D40S36-E38 WeakPolarHBondContact CB-OE1 3.45Å; E38-D40 PolarHBondContact O-N 2.75Å
39E40.8Very low37.9Very low183 Ų183140.6 Ų140.686%0.85581%0.81SS**  trans-69.7106.3169.1-64.1-177.4123.400109S41E39-S41 PolarHBondContact O-N 3.39Å
40D36.6Very low38.9Very low142 Ų142139.7 Ų139.776%0.75980%0.802SS**  trans-72.994.1172.8-171.221.4000110.2E38 T42E38-D40 PolarHBondContact O-N 2.75Å; D40-T42 PolarHBondContact O-N 2.98Å; D40-T42 VanDerWaalsContact O-N 3.16Å
41S38.4Very low39.7Very low93 Ų93139 Ų13965%0.6579%0.793SS**  trans-70.894.5166.6-68.50000109.3E39 S43E39-S41 PolarHBondContact O-N 3.39Å; S41-S43 PolarHBondContact O-N 3.29Å; S41-S43 PolarHBondContact O-OG 3.3Å
42T36.7Very low40.4Very low125 Ų125134.1 Ų134.177%0.76777%0.773SS**  trans-6797.517152.90000110.3D40D40-T42 PolarHBondContact O-N 2.98Å; D40-T42 VanDerWaalsContact O-N 3.16Å
43S31Very low41.2Very low113 Ų113134.5 Ų134.579%0.7977%0.765SS**  trans-79.7132.7175.5-60.10000110.5S41S41-S43 PolarHBondContact O-N 3.29Å; S41-S43 PolarHBondContact O-OG 3.3Å
44S39.7Very low42.2Very low111 Ų111133.3 Ų133.378%0.77675%0.75SS**  trans-161.4143.4160.6-147.10000106.4
45P51.7Low43Very low112 Ų112130 Ų13073%0.72773%0.734SS**  cis-144.9164.937.937.3-16.3000116.9
46D34.8Very low43.9Very low157 Ų157128.3 Ų128.384%0.8473%0.728SS**PPolyproline II helixtrans-59.2139.6161.2-67.5-68.5000111.5D48D46-D48 PolarHBondContact O-N 3.17Å
47D39.9Very low44.5Very low154 Ų154130.2 Ų130.282%0.82473%0.731SS**PPolyproline II helixtrans-65.2117.8-175.4-72.1-68.6000113.6
48D50.2Low44.9Very low149 Ų149128.4 Ų128.480%0.79771%0.712SS**PPolyproline II helixtrans-76.9134.3151.3-90-48.6000107.7D46 Y50D46-D48 PolarHBondContact O-N 3.17Å; D48-Y50 PolarHBondContact O-N 3.38Å
49P46.5Very low45.3Very low120 Ų120123.9 Ų123.978%0.77970%0.703SS**PPolyproline II helixtrans-59.8123.7-17622.3-31.5000111.4D51P49-D51 PolarHBondContact O-N 3.03Å
50Y50.8Low45.6Very low192 Ų192118.9 Ų118.975%0.75370%0.7SS**PPolyproline II helixtrans-49.8118.6178.8-118.2-105.1000111.6D48D48-Y50 PolarHBondContact O-N 3.38Å
51D48.8Very low46.4Very low115 Ų115117 Ų11762%0.61569%0.694SS**  trans-98.890.9169.4-174.71.7000108.2P49 T53P49-D51 PolarHBondContact O-N 3.03Å; D51-T53 PolarHBondContact O-N 2.97Å; D51-T53 VanDerWaalsContact O-N 3.13Å; D51-T53 WeakPolarHBondContact OD1-CB 3.48Å; D51-T53 PolarHBondContact OD1-N 3.18Å; D51-T53 PolarHBondContact OD1-OG1 2.99Å
52D44.8Very low47.6Very low100 Ų100115 Ų11554%0.53568%0.676SS.*G310 helixtrans-71.33.4-175.5-100.4-24.4000114D54 I55D52-D54 VanDerWaalsContact C-N 3.34Å; D52-D54 PolarHBondContact O-N 3.48Å; D52-I55 VanDerWaalsContact OD1-CD1 3.29Å; D52-I55 WeakPolarHBondContact OD1-CD1 2.95Å
53T54.5Low49.3Very low105 Ų105116.5 Ų116.564%0.64467%0.674SS**G310 helixtrans-76.4-19.2-169.6-34.70000113.5D51D51-T53 PolarHBondContact O-N 2.97Å; D51-T53 VanDerWaalsContact O-N 3.13Å; D51-T53 WeakPolarHBondContact OD1-CB 3.48Å; D51-T53 PolarHBondContact OD1-N 3.18Å; D51-T53 PolarHBondContact OD1-OG1 2.99Å
54D54Low51.1Low100 Ų100115.6 Ų115.654%0.53566%0.664SS.*G310 helixtrans-95.8-6.5-175.5-82.7-25.6000115.1D52 L56 S58D52-D54 VanDerWaalsContact C-N 3.34Å; D52-D54 PolarHBondContact O-N 3.48Å; D54-L56 VanDerWaalsContact C-N 3.3Å; D54-L56 PolarHBondContact O-N 3.43Å; D54-S58 PolarHBondContact O-OG 3.12Å; D54-S58 VanDerWaalsContact O-OG 3.09Å
55I54.6Low52.7Low107 Ų107111.3 Ų111.355%0.54963%0.633SS.*Hα-helixtrans-67.9-32.5-179.7-65.4-177.5000111.2D52D52-I55 VanDerWaalsContact OD1-CD1 3.29Å; D52-I55 WeakPolarHBondContact OD1-CD1 2.95Å
56L53.8Low53.8Low151 Ų151108.4 Ų108.479%0.79162%0.619SS**Hα-helixtrans-86.7-21.7-174.3-66.1173.5000114.1D54D54-L56 VanDerWaalsContact C-N 3.3Å; D54-L56 PolarHBondContact O-N 3.43Å
57N46.8Very low55.9Low136 Ų136107.8 Ų107.873%0.72761%0.61SS**Hα-helixtrans-83.8-18.5178.7-96.2-6.5000113.8
58S48.8Very low57.7Low67 Ų67103.3 Ų103.347%0.46959%0.586SS.*Hα-helixtrans-93.8-24.8-172.8-52.60000113.7D54 G60 T61D54-S58 PolarHBondContact O-OG 3.12Å; D54-S58 VanDerWaalsContact O-OG 3.09Å; S58-G60 PolarHBondContact O-N 2.97Å; S58-T61 PolarHBondContact O-N 3.37Å; S58-T61 PolarHBondContact O-OG1 3.36Å
59A47.9Very low59.1Low70 Ų7097.9 Ų97.958%0.57956%0.562SS**THydrogen-bonded Turntrans-68.2-15.2-173.500000114.1
60G48.3Very low60.8Low78 Ų7896.4 Ų96.480%0.80456%0.56SS**THydrogen-bonded Turntrans-88.2-4.2-178.100000116.1S58S58-G60 PolarHBondContact O-N 2.97Å
61T51.8Low62.4Low101 Ų10190.7 Ų90.762%0.6255%0.553SS**SBendtrans-114-4.2-168.860.80000115.7S58S58-T61 PolarHBondContact O-N 3.37Å; S58-T61 PolarHBondContact O-OG1 3.36Å
62D65.1Low63.9Low52 Ų5286.6 Ų86.628%0.27854%0.537SS..  trans-116.794.5-178.7-170.414.8000110.3V64 T65 A66D62-V64 PolarHBondContact O-N 3.41Å; D62-V64 VanDerWaalsContact O-N 3.12Å; D62-T65 PolarHBondContact O-N 2.92Å; D62-T65 PolarHBondContact OD2-OG1 3.34Å; D62-A66 PolarHBondContact O-N 2.84Å
63E71.6Confident65.5Low157 Ų15787.5 Ų87.573%0.73455%0.549SS*.Hα-helixtrans-54.2-31.7-177.6-67.2-176.5165.800112.2A66 H67E63-A66 PolarHBondContact O-N 3.31Å; E63-H67 PolarHBondContact O-N 2.77Å; E63-H67 PolarHBondContact O-ND1 3.48Å
64V68.4Low66.7Low94 Ų9488.4 Ų88.457%0.5755%0.554SS**Hα-helixtrans-69.9-41.5177.8-178.60000111.2D62 A66 H67 L68D62-V64 PolarHBondContact O-N 3.41Å; D62-V64 VanDerWaalsContact O-N 3.12Å; V64-A66 VanDerWaalsContact C-N 3.34Å; V64-H67 PolarHBondContact O-N 3.02Å; V64-L68 HydrophobicContact CG1-CD1 4.28Å; V64-L68 VanDerWaalsContact O-CG 3.32Å; V64-L68 WeakPolarHBondContact O-CG 3.38Å; V64-L68 PolarHBondContact O-N 2.67Å
65T73.1Confident68Low20 Ų2083.9 Ų83.912%0.12353%0.531CS..Hα-helixtrans-67.9-36.1176.7-64.30000111D62 L68 A69 A79D62-T65 PolarHBondContact O-N 2.92Å; D62-T65 PolarHBondContact OD2-OG1 3.34Å; T65-L68 PolarHBondContact O-N 2.87Å; T65-A69 WeakPolarHBondContact O-CB 3.42Å; T65-A69 PolarHBondContact O-N 3.14Å; T65-A79 HydrophobicContact CG2-CB 3.89Å
66A75.6Confident69.2Low52 Ų5284.5 Ų84.543%0.4353%0.533SS..Hα-helixtrans-66.8-40.5173.500000112.8D62 E63 V64 A69 A70D62-A66 PolarHBondContact O-N 2.84Å; E63-A66 PolarHBondContact O-N 3.31Å; V64-A66 VanDerWaalsContact C-N 3.34Å; A66-A69 PolarHBondContact O-N 2.9Å; A66-A70 WeakPolarHBondContact O-CB 3.32Å; A66-A70 PolarHBondContact O-N 2.85Å
67H77.9Confident70.4Confident143 Ų14380.2 Ų80.266%0.66252%0.519SS*.Hα-helixtrans-66.2-38174.5-80.979.5000112.3E63 V64 A70 A71E63-H67 PolarHBondContact O-N 2.77Å; E63-H67 PolarHBondContact O-ND1 3.48Å; V64-H67 PolarHBondContact O-N 3.02Å; H67-A70 PolarHBondContact O-N 3.36Å; H67-A71 PolarHBondContact O-N 2.99Å
68L78.5Confident71.9Confident60 Ų6075.5 Ų75.531%0.31450%0.499SS..Hα-helixtrans-64.3-45.9173.1-73167.2000110.7V64 T65 A70 A71 G75 A79V64-L68 HydrophobicContact CG1-CD1 4.28Å; V64-L68 VanDerWaalsContact O-CG 3.32Å; V64-L68 WeakPolarHBondContact O-CG 3.38Å; V64-L68 PolarHBondContact O-N 2.67Å; T65-L68 PolarHBondContact O-N 2.87Å; L68-A70 VanDerWaalsContact C-N 3.26Å; L68-A70 PolarHBondContact O-N 3.39Å; L68-A71 WeakPolarHBondContact O-CB 3.49Å; L68-A71 PolarHBondContact O-N 2.87Å; L68-G75 CarbonylContact C-O 3.37Å; L68-G75 CarbonylContact O-C 2.96Å; L68-G75 WeakPolarHBondContact O-CA 3.27Å; L68-A79 HydrophobicContact CB-CB 4.06Å
69A80.4Confident73.3Confident36 Ų3672.7 Ų72.730%0.29848%0.48SS..Hα-helixtrans-61-34.4176.500000112.8T65 A66 A71 M76 A79T65-A69 WeakPolarHBondContact O-CB 3.42Å; T65-A69 PolarHBondContact O-N 3.14Å; A66-A69 PolarHBondContact O-N 2.9Å; A69-A71 VanDerWaalsContact C-N 3.26Å; A69-A71 PolarHBondContact O-N 3.49Å; A69-M76 HydrophobicContact CB-SD 4.46Å; A69-M76 WeakPolarHBondContact O-CG 3.44Å; A69-A79 HydrophobicContact CB-CB 3.94Å
70A81.6Confident74.5Confident88 Ų8871.9 Ų71.973%0.72747%0.474SS*.Hα-helixtrans-71.7-15.217600000114.1A66 H67 L68 G72A66-A70 WeakPolarHBondContact O-CB 3.32Å; A66-A70 PolarHBondContact O-N 2.85Å; H67-A70 PolarHBondContact O-N 3.36Å; L68-A70 VanDerWaalsContact C-N 3.26Å; L68-A70 PolarHBondContact O-N 3.39Å; A70-G72 PolarHBondContact O-N 2.89Å
71A84.1Confident75.6Confident73 Ų7370.9 Ų70.960%0.60346%0.458SS*.THydrogen-bonded Turntrans-81.817.9-177.500000114.3H67 L68 A69H67-A71 PolarHBondContact O-N 2.99Å; L68-A71 WeakPolarHBondContact O-CB 3.49Å; L68-A71 PolarHBondContact O-N 2.87Å; A69-A71 VanDerWaalsContact C-N 3.26Å; A69-A71 PolarHBondContact O-N 3.49Å
72G80.9Confident76.4Confident28 Ų2870 Ų7029%0.28945%0.452SS..  trans88.3-167.8176.100000114.3A70 V74 G75 M76A70-G72 PolarHBondContact O-N 2.89Å; G72-V74 VanDerWaalsContact C-N 3.29Å; G72-V74 PolarHBondContact O-N 3.27Å; G72-G75 CarbonylContact O-C 3.59Å; G72-G75 WeakPolarHBondContact O-CA 3.44Å; G72-G75 PolarHBondContact O-N 2.91Å; G72-M76 WeakPolarHBondContact O-CG 3.28Å; G72-M76 PolarHBondContact O-N 2.89Å
73P77.1Confident76.4Confident120 Ų12071 Ų7178%0.77947%0.467SS*.Hα-helixtrans-58.7-35-168.5-26.734.8000114.9A77P73-A77 PolarHBondContact O-N 3.19Å; P73-A77 VanDerWaalsContact O-N 3.14Å
74V79.4Confident76Confident123 Ų12368.9 Ų68.975%0.74547%0.465SS*.Hα-helixtrans-72.7-38.6176.1179.60000111G72 A77 A78G72-V74 VanDerWaalsContact C-N 3.29Å; G72-V74 PolarHBondContact O-N 3.27Å; V74-A77 PolarHBondContact O-N 3.32Å; V74-A78 WeakPolarHBondContact O-CB 3.3Å; V74-A78 PolarHBondContact O-N 3.42Å
75G83.1Confident75.6Confident6 Ų667 Ų676%0.06246%0.464CS..Hα-helixtrans-67.5-36.8175.800000113L68 G72 A78 A79L68-G75 CarbonylContact C-O 3.37Å; L68-G75 CarbonylContact O-C 2.96Å; L68-G75 WeakPolarHBondContact O-CA 3.27Å; G72-G75 CarbonylContact O-C 3.59Å; G72-G75 WeakPolarHBondContact O-CA 3.44Å; G72-G75 PolarHBondContact O-N 2.91Å; G75-A78 PolarHBondContact O-N 2.68Å; G75-A79 VanDerWaalsContact O-CB 3.27Å; G75-A79 WeakPolarHBondContact O-CB 3.27Å; G75-A79 PolarHBondContact O-N 3.28Å
76M79.8Confident74.6Confident119 Ų11974.8 Ų74.859%0.58650%0.497SS*.Hα-helixtrans-61.3-45.3170-73.9-98.8-71.800111.8A69 G72 A78 A79 A80A69-M76 HydrophobicContact CB-SD 4.46Å; A69-M76 WeakPolarHBondContact O-CG 3.44Å; G72-M76 WeakPolarHBondContact O-CG 3.28Å; G72-M76 PolarHBondContact O-N 2.89Å; M76-A78 VanDerWaalsContact C-N 3.34Å; M76-A79 PolarHBondContact O-N 3.48Å; M76-A80 VanDerWaalsContact O-CB 3.28Å; M76-A80 WeakPolarHBondContact O-CB 3.28Å; M76-A80 PolarHBondContact O-N 2.8Å
77A78.9Confident73.5Confident61 Ų6182 Ų8250%0.50452%0.518SS..Hα-helixtrans-64.1-39.3175.300000111.9P73 V74 A80 A81P73-A77 PolarHBondContact O-N 3.19Å; P73-A77 VanDerWaalsContact O-N 3.14Å; V74-A77 PolarHBondContact O-N 3.32Å; A77-A80 PolarHBondContact O-N 2.86Å; A77-A81 WeakPolarHBondContact O-CB 3.29Å; A77-A81 PolarHBondContact O-N 3.13Å
78A77.6Confident72.5Confident38 Ų3883.9 Ų83.931%0.31452%0.52SS..Hα-helixtrans-67-43.6175.400000112.2V74 G75 M76 A81 V82V74-A78 WeakPolarHBondContact O-CB 3.3Å; V74-A78 PolarHBondContact O-N 3.42Å; G75-A78 PolarHBondContact O-N 2.68Å; M76-A78 VanDerWaalsContact C-N 3.34Å; A78-A81 PolarHBondContact O-N 3.39Å; A78-V82 VanDerWaalsContact O-CG2 3.3Å; A78-V82 WeakPolarHBondContact O-CG2 3.22Å; A78-V82 PolarHBondContact O-N 3.2Å
79A77.4Confident71.5Confident8 Ų889.8 Ų89.87%0.06654%0.543CS..Hα-helixtrans-61.9-42.7174.800000111.3T65 L68 A69 G75 M76 V82 A83T65-A79 HydrophobicContact CG2-CB 3.89Å; L68-A79 HydrophobicContact CB-CB 4.06Å; A69-A79 HydrophobicContact CB-CB 3.94Å; G75-A79 VanDerWaalsContact O-CB 3.27Å; G75-A79 WeakPolarHBondContact O-CB 3.27Å; G75-A79 PolarHBondContact O-N 3.28Å; M76-A79 PolarHBondContact O-N 3.48Å; A79-V82 PolarHBondContact O-N 3.44Å; A79-A83 VanDerWaalsContact O-CB 3.28Å; A79-A83 WeakPolarHBondContact O-CB 3.34Å; A79-A83 PolarHBondContact O-N 3.09Å
80A72.9Confident70.6Confident53 Ų5398.4 Ų98.444%0.43857%0.568SS.*Hα-helixtrans-64.1-41.2174.700000111.8M76 A77 A83 T84M76-A80 VanDerWaalsContact O-CB 3.28Å; M76-A80 WeakPolarHBondContact O-CB 3.28Å; M76-A80 PolarHBondContact O-N 2.8Å; A77-A80 PolarHBondContact O-N 2.86Å; A80-A83 PolarHBondContact O-N 2.83Å; A80-T84 WeakPolarHBondContact O-CB 3.26Å; A80-T84 VanDerWaalsContact O-CG2 3.26Å; A80-T84 WeakPolarHBondContact O-CG2 3.34Å; A80-T84 PolarHBondContact O-N 3.38Å; A80-T84 PolarHBondContact O-OG1 3.17Å
81A72.7Confident70.1Confident57 Ų5799.3 Ų99.347%0.47157%0.566SS.*Hα-helixtrans-65.7-37.9175.900000112.4A77 A78 T84 G85A77-A81 WeakPolarHBondContact O-CB 3.29Å; A77-A81 PolarHBondContact O-N 3.13Å; A78-A81 PolarHBondContact O-N 3.39Å; A81-T84 WeakPolarHBondContact CA-OG1 3.4Å; A81-T84 PolarHBondContact O-OG1 3.07Å; A81-G85 VanDerWaalsContact O-CA 3.27Å; A81-G85 WeakPolarHBondContact O-CA 3.3Å; A81-G85 PolarHBondContact O-N 2.84Å
82V67.4Low69.9Low82 Ų82104.8 Ų104.850%0.49758%0.579SS.*Hα-helixtrans-69.8-41.3174.91720000111.2A78 A79 T84 G85A78-V82 VanDerWaalsContact O-CG2 3.3Å; A78-V82 WeakPolarHBondContact O-CG2 3.22Å; A78-V82 PolarHBondContact O-N 3.2Å; A79-V82 PolarHBondContact O-N 3.44Å; V82-T84 VanDerWaalsContact C-N 3.34Å; V82-T84 PolarHBondContact O-N 3.48Å; V82-G85 PolarHBondContact O-N 3.09Å
83A65.5Low69.9Low73 Ų73110.3 Ų110.360%0.60360%0.6SS**Hα-helixtrans-63.7-38.3176.200000112.4A79 A80A79-A83 VanDerWaalsContact O-CB 3.28Å; A79-A83 WeakPolarHBondContact O-CB 3.34Å; A79-A83 PolarHBondContact O-N 3.09Å; A80-A83 PolarHBondContact O-N 2.83Å
84T64.1Low70.1Confident113 Ų113112 Ų11269%0.69360%0.595SS**Hα-helixtrans-86.5-17.3-179.954.90000113.5A80 A81 V82 K86A80-T84 WeakPolarHBondContact O-CB 3.26Å; A80-T84 VanDerWaalsContact O-CG2 3.26Å; A80-T84 WeakPolarHBondContact O-CG2 3.34Å; A80-T84 PolarHBondContact O-N 3.38Å; A80-T84 PolarHBondContact O-OG1 3.17Å; A81-T84 WeakPolarHBondContact CA-OG1 3.4Å; A81-T84 PolarHBondContact O-OG1 3.07Å; V82-T84 VanDerWaalsContact C-N 3.34Å; V82-T84 PolarHBondContact O-N 3.48Å; T84-K86 PolarHBondContact O-N 2.91Å
85G58.6Low70.2Confident53 Ų53108.4 Ų108.455%0.54657%0.571SS.*SBendtrans-79.9-7.8-164.600000117.7A81 V82A81-G85 VanDerWaalsContact O-CA 3.27Å; A81-G85 WeakPolarHBondContact O-CA 3.3Å; A81-G85 PolarHBondContact O-N 2.84Å; V82-G85 PolarHBondContact O-N 3.09Å
86K52.8Low70.2Confident185 Ų185110.3 Ų110.380%0.80458%0.583SS**SBendtrans-159.3109.5174.4-104.1157.2-170.5176.20109.1T84 R88T84-K86 PolarHBondContact O-N 2.91Å; K86-R88 PolarHBondContact O-N 2.83Å
87K53.3Low70.1Confident202 Ų202106.4 Ų106.488%0.87856%0.564SS**  trans-47.4103.6165.3-66.1-174178.4-173.90107.6K89K87-K89 PolarHBondContact O-N 3.07Å
88R56.4Low70.1Confident184 Ų184106.2 Ų106.269%0.69456%0.558SS**  trans-56.4107.1168.9-82.5-176.9179.5-1791.1104.4K86 R90K86-R88 PolarHBondContact O-N 2.83Å; R88-R90 PolarHBondContact O-N 2.75Å; R88-R90 VanDerWaalsContact O-N 3.07Å
89K57.9Low70.2Confident184 Ų184108.1 Ų108.180%0.857%0.569SS**  trans-54.3122.8-179.2-73177.7-179.7173.40106K87K87-K89 PolarHBondContact O-N 3.07Å
90R61.9Low70.5Confident217 Ų217110.9 Ų110.982%0.81958%0.582SS**  trans-42.8135.9169.4-71.9-177.1177.8-176.6-0.7108.2R88 H92R88-R90 PolarHBondContact O-N 2.75Å; R88-R90 VanDerWaalsContact O-N 3.07Å; R90-H92 PolarHBondContact O-N 2.86Å
91P69.4Low71.2Confident107 Ų107112.3 Ų112.370%0.69558%0.576SS**  trans-54.8143.4179.922.9-32.3000109.7I93P91-I93 PolarHBondContact O-N 2.61Å
92H80.3Confident71.8Confident187 Ų187116.5 Ų116.587%0.86658%0.584SS**  trans-66.3104.4177.7-67.9-53.9000109.2R90R90-H92 PolarHBondContact O-N 2.86Å
93I81.4Confident72.9Confident144 Ų144121.5 Ų121.574%0.73859%0.594SS**  trans-104.7156.9174.458.7169.9000110.2P91 E95P91-I93 PolarHBondContact O-N 2.61Å; I93-E95 PolarHBondContact O-N 3.13Å
94F80.5Confident74.1Confident155 Ų155121 Ų12168%0.6858%0.579SS**  trans-63.2118.6172.8-178.5-99.1000109.7S96 R101F94-S96 PolarHBondContact O-N 3.46Å; F94-R101 VanDerWaalsContact CE1-NH2 3.34Å
95E83.3Confident75.4Confident49 Ų49119.2 Ų119.223%0.22956%0.563CS.*  trans-66.3124.1172.417953.7-106.300108.6I93 N97 I100 R101 Q104I93-E95 PolarHBondContact O-N 3.13Å; E95-N97 WeakPolarHBondContact OE1-CB 3.2Å; E95-N97 PolarHBondContact OE1-N 2.87Å; E95-I100 HydrophobicContact CG-CB 3.95Å; E95-I100 HydrophobicContact CG-CG2 3.91Å; E95-I100 VanDerWaalsContact OE2-CG2 3.24Å; E95-I100 WeakPolarHBondContact OE2-CG2 3.36Å; E95-R101 HydrophobicContact CB-CB 4.33Å; E95-R101 HydrophobicContact CG-CB 3.95Å; E95-R101 PolarHBondContact O-NH1 3.3Å; E95-R101 PolarHBondContact O-NH2 3.21Å; E95-Q104 PolarHBondContact OE2-NE2 2.9Å
96S82.3Confident77Confident45 Ų45120.7 Ų120.732%0.31556%0.561SS.*  trans-83.3-39.1178.6-65.10000110.7F94 P98 R101F94-S96 PolarHBondContact O-N 3.46Å; S96-P98 WeakPolarHBondContact O-CD 3.44Å; S96-R101 PolarHBondContact O-NH2 3.29Å
97N77.2Confident79.1Confident37 Ų37118.3 Ų118.320%0.19855%0.547CS..  trans-70.3119.2-175-175.5-34.4000111.8E95 S99 I100 R101 I190E95-N97 WeakPolarHBondContact OE1-CB 3.2Å; E95-N97 PolarHBondContact OE1-N 2.87Å; N97-S99 VanDerWaalsContact C-N 3.32Å; N97-S99 PolarHBondContact O-N 2.9Å; N97-S99 WeakPolarHBondContact OD1-CB 3.36Å; N97-S99 PolarHBondContact OD1-N 2.9Å; N97-S99 PolarHBondContact OD1-OG 2.99Å; N97-I100 HydrophobicContact CB-CB 4.11Å; N97-I100 HydrophobicContact CB-CD1 3.89Å; N97-I100 HydrophobicContact CB-CG1 3.99Å; N97-I100 PolarHBondContact O-N 3.43Å; N97-I100 PolarHBondContact OD1-N 3.16Å; N97-R101 VanDerWaalsContact O-CB 3.28Å; N97-R101 WeakPolarHBondContact O-CB 3.43Å; N97-R101 PolarHBondContact O-N 3.02Å; N97-I190 HydrophobicContact CB-CD1 4.42Å; N97-I190 HydrophobicContact CB-CG1 4.21Å
98P80.2Confident81Confident57 Ų57113.1 Ų113.137%0.3753%0.528SS..Hα-helixtrans-61.1-34.5-178-26.336.6000114.8S96 K102 D188S96-P98 WeakPolarHBondContact O-CD 3.44Å; P98-K102 WeakPolarHBondContact O-CB 3.31Å; P98-K102 PolarHBondContact O-N 3.03Å; P98-D188 WeakPolarHBondContact CD-O 3.2Å; P98-D188 WeakPolarHBondContact CG-O 3.37Å
99S79.3Confident82.8Confident78 Ų78105.7 Ų105.755%0.54550%0.502SS..Hα-helixtrans-69.3-45.8-179.8700000111.4N97 R101 K102 R103N97-S99 VanDerWaalsContact C-N 3.32Å; N97-S99 PolarHBondContact O-N 2.9Å; N97-S99 WeakPolarHBondContact OD1-CB 3.36Å; N97-S99 PolarHBondContact OD1-N 2.9Å; N97-S99 PolarHBondContact OD1-OG 2.99Å; S99-R101 VanDerWaalsContact C-N 3.35Å; S99-K102 PolarHBondContact O-N 3.3Å; S99-R103 PolarHBondContact O-N 3.22Å
100I83.1Confident84.6Confident67 Ų67106.2 Ų106.234%0.34450%0.499SS..Hα-helixtrans-65.5-43.3177-58.8179000109.3E95 N97 K102 R103 Q104E95-I100 HydrophobicContact CG-CB 3.95Å; E95-I100 HydrophobicContact CG-CG2 3.91Å; E95-I100 VanDerWaalsContact OE2-CG2 3.24Å; E95-I100 WeakPolarHBondContact OE2-CG2 3.36Å; N97-I100 HydrophobicContact CB-CB 4.11Å; N97-I100 HydrophobicContact CB-CD1 3.89Å; N97-I100 HydrophobicContact CB-CG1 3.99Å; N97-I100 PolarHBondContact O-N 3.43Å; N97-I100 PolarHBondContact OD1-N 3.16Å; I100-K102 VanDerWaalsContact C-N 3.34Å; I100-K102 PolarHBondContact O-N 2.63Å; I100-R103 PolarHBondContact O-N 3.32Å; I100-Q104 HydrophobicContact CG2-CG 4.13Å; I100-Q104 VanDerWaalsContact CG2-NE2 3.34Å; I100-Q104 WeakPolarHBondContact O-CB 3.39Å; I100-Q104 VanDerWaalsContact O-CG 3.3Å; I100-Q104 WeakPolarHBondContact O-CG 3.33Å; I100-Q104 PolarHBondContact O-N 2.93Å
101R87.6Confident86.2Confident82 Ų82102.1 Ų102.131%0.30949%0.487SS..Hα-helixtrans-56.3-47174.8-170.8-160.3-50.3-84.4-0.1111.5F94 E95 S96 N97 S99 Q104 Q105F94-R101 VanDerWaalsContact CE1-NH2 3.34Å; E95-R101 HydrophobicContact CB-CB 4.33Å; E95-R101 HydrophobicContact CG-CB 3.95Å; E95-R101 PolarHBondContact O-NH1 3.3Å; E95-R101 PolarHBondContact O-NH2 3.21Å; S96-R101 PolarHBondContact O-NH2 3.29Å; N97-R101 VanDerWaalsContact O-CB 3.28Å; N97-R101 WeakPolarHBondContact O-CB 3.43Å; N97-R101 PolarHBondContact O-N 3.02Å; S99-R101 VanDerWaalsContact C-N 3.35Å; R101-Q104 PolarHBondContact O-N 2.73Å; R101-Q105 VanDerWaalsContact O-CB 3.23Å; R101-Q105 WeakPolarHBondContact O-CB 3.21Å; R101-Q105 PolarHBondContact O-N 2.99Å
102K86.3Confident87.5Confident146 Ų146100.9 Ų100.964%0.63547%0.474SS*.Hα-helixtrans-61.7-44.5177.3-172.5176.8-179.5-177.30111.4P98 S99 I100 Q105 T106P98-K102 WeakPolarHBondContact O-CB 3.31Å; P98-K102 PolarHBondContact O-N 3.03Å; S99-K102 PolarHBondContact O-N 3.3Å; I100-K102 VanDerWaalsContact C-N 3.34Å; I100-K102 PolarHBondContact O-N 2.63Å; K102-Q105 PolarHBondContact O-N 2.92Å; K102-T106 PolarHBondContact O-N 2.87Å; K102-T106 PolarHBondContact O-OG1 2.89Å; K102-T106 VanDerWaalsContact O-OG1 3.1Å
103R89.1Confident88.2Confident187 Ų18797.8 Ų97.871%0.70646%0.455SS*.Hα-helixtrans-62.7-46.1176.3-175.9179.3177-132.63112S99 I100 T106 R107S99-R103 PolarHBondContact O-N 3.22Å; I100-R103 PolarHBondContact O-N 3.32Å; R103-T106 PolarHBondContact O-N 3.31Å; R103-R107 WeakPolarHBondContact O-CB 3.43Å; R103-R107 PolarHBondContact O-N 2.96Å; R103-R107 VanDerWaalsContact O-N 3.08Å
104Q91.9Very high88.9Confident63 Ų6393.8 Ų93.829%0.29444%0.443SS..Hα-helixtrans-61.8-46.7176.4-72.3179.110.800110.9E95 I100 R101 T106 R107 L108E95-Q104 PolarHBondContact OE2-NE2 2.9Å; I100-Q104 HydrophobicContact CG2-CG 4.13Å; I100-Q104 VanDerWaalsContact CG2-NE2 3.34Å; I100-Q104 WeakPolarHBondContact O-CB 3.39Å; I100-Q104 VanDerWaalsContact O-CG 3.3Å; I100-Q104 WeakPolarHBondContact O-CG 3.33Å; I100-Q104 PolarHBondContact O-N 2.93Å; R101-Q104 PolarHBondContact O-N 2.73Å; Q104-T106 PolarHBondContact O-N 3.41Å; Q104-R107 PolarHBondContact O-N 2.97Å; Q104-L108 WeakPolarHBondContact O-CB 3.22Å; Q104-L108 VanDerWaalsContact O-CG 3.27Å; Q104-L108 WeakPolarHBondContact O-CG 3.44Å; Q104-L108 PolarHBondContact O-N 3.44Å
105Q91.4Very high89.6Confident75 Ų7590.6 Ų90.635%0.3544%0.437SS..Hα-helixtrans-55.9-52.2176.6-178-177.224.200111.1R101 K102 R107 L108 L109R101-Q105 VanDerWaalsContact O-CB 3.23Å; R101-Q105 WeakPolarHBondContact O-CB 3.21Å; R101-Q105 PolarHBondContact O-N 2.99Å; K102-Q105 PolarHBondContact O-N 2.92Å; Q105-R107 VanDerWaalsContact C-N 3.32Å; Q105-R107 PolarHBondContact O-N 3.09Å; Q105-L108 PolarHBondContact O-N 2.91Å; Q105-L109 HydrophobicContact CG-CD1 3.73Å; Q105-L109 HydrophobicContact CG-CG 4.18Å; Q105-L109 VanDerWaalsContact O-CB 3.31Å; Q105-L109 WeakPolarHBondContact O-CB 3.25Å; Q105-L109 VanDerWaalsContact O-CG 3.25Å; Q105-L109 WeakPolarHBondContact O-CG 3.49Å; Q105-L109 PolarHBondContact O-N 3.43Å
106T92.4Very high90.3Very high84 Ų8489.1 Ų89.152%0.51543%0.43SS..Hα-helixtrans-57.8-45.1179-61.30000111.7K102 R103 Q104 R110K102-T106 PolarHBondContact O-N 2.87Å; K102-T106 PolarHBondContact O-OG1 2.89Å; K102-T106 VanDerWaalsContact O-OG1 3.1Å; R103-T106 PolarHBondContact O-N 3.31Å; Q104-T106 PolarHBondContact O-N 3.41Å; T106-R110 PolarHBondContact O-N 3.04Å; T106-R110 VanDerWaalsContact O-N 3.08Å
107R94.9Very high90.8Very high135 Ų13590.9 Ų90.951%0.50944%0.437SS..Hα-helixtrans-63.7-45.3179-175.1178.867.3-170.5-0.9112.1R103 Q104 Q105 K111R103-R107 WeakPolarHBondContact O-CB 3.43Å; R103-R107 PolarHBondContact O-N 2.96Å; R103-R107 VanDerWaalsContact O-N 3.08Å; Q104-R107 PolarHBondContact O-N 2.97Å; Q105-R107 VanDerWaalsContact C-N 3.32Å; Q105-R107 PolarHBondContact O-N 3.09Å; R107-K111 PolarHBondContact O-N 3.48Å
108L94.8Very high91.7Very high92 Ų9293.7 Ų93.748%0.48245%0.448SS..Hα-helixtrans-69.2-41.6-178.9-69.5174.3000111.4Q104 Q105 R110 K111 L112Q104-L108 WeakPolarHBondContact O-CB 3.22Å; Q104-L108 VanDerWaalsContact O-CG 3.27Å; Q104-L108 WeakPolarHBondContact O-CG 3.44Å; Q104-L108 PolarHBondContact O-N 3.44Å; Q105-L108 PolarHBondContact O-N 2.91Å; L108-R110 VanDerWaalsContact C-N 3.33Å; L108-R110 PolarHBondContact O-N 3.08Å; L108-K111 PolarHBondContact O-N 2.94Å; L108-L112 WeakPolarHBondContact O-CG 3.31Å; L108-L112 PolarHBondContact O-N 3.37Å
109L94Very high92.5Very high28 Ų2895.8 Ų95.815%0.14745%0.45CS..Hα-helixtrans-63.6-37.3177-73180000112.5Q105 L112 R113 F144Q105-L109 HydrophobicContact CG-CD1 3.73Å; Q105-L109 HydrophobicContact CG-CG 4.18Å; Q105-L109 VanDerWaalsContact O-CB 3.31Å; Q105-L109 WeakPolarHBondContact O-CB 3.25Å; Q105-L109 VanDerWaalsContact O-CG 3.25Å; Q105-L109 WeakPolarHBondContact O-CG 3.49Å; Q105-L109 PolarHBondContact O-N 3.43Å; L109-L112 PolarHBondContact O-N 3.04Å; L109-R113 WeakPolarHBondContact O-CG 3.35Å; L109-R113 PolarHBondContact O-N 3.48Å; L109-F144 HydrophobicContact CD2-CE1 3.76Å; L109-F144 HydrophobicContact CD2-CZ 3.99Å
110R94.9Very high93.3Very high195 Ų19593.2 Ų93.274%0.73643%0.431SS*.Hα-helixtrans-61.8-44.6173.7-176.9-177.8-79.1-177.2-4.5111.3T106 L108 R113 A114T106-R110 PolarHBondContact O-N 3.04Å; T106-R110 VanDerWaalsContact O-N 3.08Å; L108-R110 VanDerWaalsContact C-N 3.33Å; L108-R110 PolarHBondContact O-N 3.08Å; R110-R113 PolarHBondContact O-N 2.74Å; R110-A114 PolarHBondContact O-N 3.12Å
111K96.1Very high93.9Very high132 Ų13295.5 Ų95.557%0.57445%0.448SS*.Hα-helixtrans-64.6-45.2177.9-69.5-175.1177.9-165.70111.7R107 L108 R113 A114 T115R107-K111 PolarHBondContact O-N 3.48Å; L108-K111 PolarHBondContact O-N 2.94Å; K111-R113 VanDerWaalsContact C-N 3.33Å; K111-R113 PolarHBondContact O-N 3.42Å; K111-A114 PolarHBondContact O-N 3.25Å; K111-T115 PolarHBondContact O-N 3Å; K111-T115 PolarHBondContact O-OG1 3.21Å; K111-T115 VanDerWaalsContact O-OG1 3.12Å
112L96.6Very high94.3Very high80 Ų80100.9 Ų100.942%0.41947%0.468SS..Hα-helixtrans-60.5-41.1177.7-75.5172.5000112L108 L109 T115 L116 V129 F144L108-L112 WeakPolarHBondContact O-CG 3.31Å; L108-L112 PolarHBondContact O-N 3.37Å; L109-L112 PolarHBondContact O-N 3.04Å; L112-T115 PolarHBondContact O-N 3.34Å; L112-L116 WeakPolarHBondContact O-CB 3.44Å; L112-L116 PolarHBondContact O-N 3.21Å; L112-V129 HydrophobicContact CD1-CG1 4.48Å; L112-F144 HydrophobicContact CB-CE2 4.44Å; L112-F144 HydrophobicContact CB-CZ 4.17Å
113R94.9Very high94.8Very high122 Ų12297.6 Ų97.646%0.4646%0.46SS..Hα-helixtrans-57.4-53.3173.1-80.3176.5-170.4-87.9-2.2111.8L109 R110 K111 T115 L116 D117 F144L109-R113 WeakPolarHBondContact O-CG 3.35Å; L109-R113 PolarHBondContact O-N 3.48Å; R110-R113 PolarHBondContact O-N 2.74Å; K111-R113 VanDerWaalsContact C-N 3.33Å; K111-R113 PolarHBondContact O-N 3.42Å; R113-T115 VanDerWaalsContact C-N 3.33Å; R113-T115 PolarHBondContact O-N 3.39Å; R113-L116 WeakPolarHBondContact O-CB 3.4Å; R113-L116 PolarHBondContact O-N 2.93Å; R113-L116 VanDerWaalsContact O-N 3.09Å; R113-D117 WeakPolarHBondContact O-CB 3.27Å; R113-D117 PolarHBondContact O-N 2.93Å; R113-F144 HydrophobicContact CB-CD2 4.46Å; R113-F144 HydrophobicContact CB-CE2 4.17Å; R113-F144 HydrophobicContact CG-CD2 3.34Å; R113-F144 HydrophobicContact CG-CE2 3.24Å; R113-F144 HydrophobicContact CG-CG 4.12Å; R113-F144 HydrophobicContact CG-CZ 3.95Å; R113-F144 VanDerWaalsContact CZ-CB 3.42Å; R113-F144 VanDerWaalsContact NH2-CB 3.34Å
114A95.4Very high95.1Very high60 Ų6091.6 Ų91.650%0.49646%0.456SS..Hα-helixtrans-58-44.9-178.900000112.3R110 K111 L116 D117 E118R110-A114 PolarHBondContact O-N 3.12Å; K111-A114 PolarHBondContact O-N 3.25Å; A114-L116 VanDerWaalsContact C-N 3.34Å; A114-L116 PolarHBondContact O-N 3.26Å; A114-D117 PolarHBondContact O-N 3.33Å; A114-E118 WeakPolarHBondContact O-CB 3.5Å; A114-E118 PolarHBondContact O-N 3.48Å
115T96.6Very high95.3Very high88 Ų8893.7 Ų93.754%0.5447%0.466SS..Hα-helixtrans-64.6-38.8177-56.20000112.2K111 L112 R113 Y119K111-T115 PolarHBondContact O-N 3Å; K111-T115 PolarHBondContact O-OG1 3.21Å; K111-T115 VanDerWaalsContact O-OG1 3.12Å; L112-T115 PolarHBondContact O-N 3.34Å; R113-T115 VanDerWaalsContact C-N 3.33Å; R113-T115 PolarHBondContact O-N 3.39Å; T115-Y119 WeakPolarHBondContact O-CB 3.3Å; T115-Y119 PolarHBondContact O-N 3.49Å
116L96.3Very high95.5Very high18 Ų1895 Ų959%0.09447%0.472CS..Hα-helixtrans-70-41.1179.5-169.969000111.9L112 R113 A114 E118 Y119 T120 A127 V129 F144L112-L116 WeakPolarHBondContact O-CB 3.44Å; L112-L116 PolarHBondContact O-N 3.21Å; R113-L116 WeakPolarHBondContact O-CB 3.4Å; R113-L116 PolarHBondContact O-N 2.93Å; R113-L116 VanDerWaalsContact O-N 3.09Å; A114-L116 VanDerWaalsContact C-N 3.34Å; A114-L116 PolarHBondContact O-N 3.26Å; L116-E118 VanDerWaalsContact C-N 3.34Å; L116-Y119 PolarHBondContact O-N 3.19Å; L116-T120 HydrophobicContact CG-CG2 4.46Å; L116-T120 WeakPolarHBondContact O-CB 3.43Å; L116-T120 WeakPolarHBondContact O-CG2 3.15Å; L116-T120 PolarHBondContact O-N 3.35Å; L116-T120 PolarHBondContact O-OG1 2.86Å; L116-A127 HydrophobicContact CD1-CB 3.44Å; L116-A127 VanDerWaalsContact CD1-CB 3.44Å; L116-V129 HydrophobicContact CD2-CG2 4.15Å; L116-F144 HydrophobicContact CD2-CD2 3.92Å; L116-F144 HydrophobicContact CD2-CE2 4.04Å; L116-F144 WeakPolarHBondContact CD2-O 3.38Å
117D94.5Very high95.6Very high83 Ų8392 Ų9244%0.44446%0.456SS..Hα-helixtrans-63.9-42.1176.4-66-22.1000110.5R113 A114 T120 T121R113-D117 WeakPolarHBondContact O-CB 3.27Å; R113-D117 PolarHBondContact O-N 2.93Å; A114-D117 PolarHBondContact O-N 3.33Å; D117-T120 PolarHBondContact O-OG1 2.87Å; D117-T120 VanDerWaalsContact O-OG1 3.08Å; D117-T121 VanDerWaalsContact O-CB 3.25Å; D117-T121 WeakPolarHBondContact O-CB 3.48Å; D117-T121 PolarHBondContact O-N 3.43Å; D117-T121 PolarHBondContact O-OG1 2.88Å
118E96.2Very high95.6Very high96 Ų9687.7 Ų87.745%0.44944%0.442SS..Hα-helixtrans-62.2-46.7173.3-179169.3-155.200112A114 L116 T121 R122A114-E118 WeakPolarHBondContact O-CB 3.5Å; A114-E118 PolarHBondContact O-N 3.48Å; L116-E118 VanDerWaalsContact C-N 3.34Å; E118-T121 PolarHBondContact O-N 3.08Å; E118-R122 HydrophobicContact CG-CG 4.17Å; E118-R122 VanDerWaalsContact O-CB 3.31Å; E118-R122 WeakPolarHBondContact O-CB 3.46Å; E118-R122 WeakPolarHBondContact O-CG 3.49Å; E118-R122 PolarHBondContact O-N 3.2Å; E118-R122 IonicContact OE1-CZ 2.91Å; E118-R122 IonicContact OE1-NE 3.47Å; E118-R122 PolarHBondContact OE1-NE 3.49Å; E118-R122 IonicContact OE1-NH2 3.33Å; E118-R122 PolarHBondContact OE1-NH2 3.27Å
119Y97Very high95.7Very high101 Ų10184.8 Ų84.840%0.39643%0.429SS..Hα-helixtrans-62.1-49.9179.7-179-96.3000112T115 L116 T121 V123 Q125 A127T115-Y119 WeakPolarHBondContact O-CB 3.3Å; T115-Y119 PolarHBondContact O-N 3.49Å; L116-Y119 PolarHBondContact O-N 3.19Å; Y119-T121 VanDerWaalsContact C-N 3.28Å; Y119-T121 PolarHBondContact O-N 2.86Å; Y119-V123 HydrophobicContact CD2-CB 4.47Å; Y119-V123 HydrophobicContact CD2-CG2 3.73Å; Y119-V123 HydrophobicContact CE2-CB 4.35Å; Y119-V123 HydrophobicContact CE2-CG1 4.43Å; Y119-V123 HydrophobicContact CE2-CG2 3.81Å; Y119-V123 HydrophobicContact CG-CG2 4.29Å; Y119-V123 WeakPolarHBondContact O-CB 3.45Å; Y119-V123 WeakPolarHBondContact O-CG2 3.34Å; Y119-V123 PolarHBondContact O-N 3.29Å; Y119-Q125 HydrophobicContact CE1-CB 4.01Å; Y119-Q125 PolarHBondContact OH-OE1 2.98Å; Y119-A127 HydrophobicContact CD1-CB 3.97Å; Y119-A127 HydrophobicContact CE1-CB 4.08Å
120T96.1Very high95.7Very high24 Ų2486.2 Ų86.215%0.14744%0.436CS..Hα-helixtrans-63.2-36.4-179.4550000111.7L116 D117 G124 Q125 A127 A146L116-T120 HydrophobicContact CG-CG2 4.46Å; L116-T120 WeakPolarHBondContact O-CB 3.43Å; L116-T120 WeakPolarHBondContact O-CG2 3.15Å; L116-T120 PolarHBondContact O-N 3.35Å; L116-T120 PolarHBondContact O-OG1 2.86Å; D117-T120 PolarHBondContact O-OG1 2.87Å; D117-T120 VanDerWaalsContact O-OG1 3.08Å; T120-G124 VanDerWaalsContact O-CA 3.22Å; T120-G124 WeakPolarHBondContact O-CA 3.36Å; T120-G124 PolarHBondContact O-N 3.27Å; T120-G124 VanDerWaalsContact O-N 3.09Å; T120-Q125 WeakPolarHBondContact CA-O 3.38Å; T120-Q125 WeakPolarHBondContact CG2-O 3.41Å; T120-A127 HydrophobicContact CG2-CB 4.11Å; T120-A146 HydrophobicContact CG2-CB 4.03Å
121T94.3Very high95.6Very high115 Ų11578.7 Ų78.771%0.70641%0.413SS*.Hα-helixtrans-76.4-46.8179.3-550000112.6D117 E118 Y119D117-T121 VanDerWaalsContact O-CB 3.25Å; D117-T121 WeakPolarHBondContact O-CB 3.48Å; D117-T121 PolarHBondContact O-N 3.43Å; D117-T121 PolarHBondContact O-OG1 2.88Å; E118-T121 PolarHBondContact O-N 3.08Å; Y119-T121 VanDerWaalsContact C-N 3.28Å; Y119-T121 PolarHBondContact O-N 2.86Å
122R97Very high95.3Very high195 Ų19574.2 Ų74.274%0.73640%0.396SS*.Hα-helixtrans-77.7-38.1-175.6-67.8-172.6-171.1-108.610.7113E118E118-R122 HydrophobicContact CG-CG 4.17Å; E118-R122 VanDerWaalsContact O-CB 3.31Å; E118-R122 WeakPolarHBondContact O-CB 3.46Å; E118-R122 WeakPolarHBondContact O-CG 3.49Å; E118-R122 PolarHBondContact O-N 3.2Å; E118-R122 IonicContact OE1-CZ 2.91Å; E118-R122 IonicContact OE1-NE 3.47Å; E118-R122 PolarHBondContact OE1-NE 3.49Å; E118-R122 IonicContact OE1-NH2 3.33Å; E118-R122 PolarHBondContact OE1-NH2 3.27Å
123V97Very high94.8Very high77 Ų7773 Ų7347%0.46740%0.395SS..Hα-helixtrans-91.9-23.8-176.3-169.60000111.1Y119 Q125Y119-V123 HydrophobicContact CD2-CB 4.47Å; Y119-V123 HydrophobicContact CD2-CG2 3.73Å; Y119-V123 HydrophobicContact CE2-CB 4.35Å; Y119-V123 HydrophobicContact CE2-CG1 4.43Å; Y119-V123 HydrophobicContact CE2-CG2 3.81Å; Y119-V123 HydrophobicContact CG-CG2 4.29Å; Y119-V123 WeakPolarHBondContact O-CB 3.45Å; Y119-V123 WeakPolarHBondContact O-CG2 3.34Å; Y119-V123 PolarHBondContact O-N 3.29Å; V123-Q125 VanDerWaalsContact C-N 3.25Å; V123-Q125 HydrophobicContact CG1-CB 4.38Å; V123-Q125 HydrophobicContact CG1-CG 3.94Å; V123-Q125 PolarHBondContact O-N 3.45Å
124G94Very high93.9Very high60 Ų6069.1 Ų69.162%0.61939%0.385SS*.  trans75.112-177.800000114.1T120T120-G124 VanDerWaalsContact O-CA 3.22Å; T120-G124 WeakPolarHBondContact O-CA 3.36Å; T120-G124 PolarHBondContact O-N 3.27Å; T120-G124 VanDerWaalsContact O-N 3.09Å
125Q96.3Very high92.6Very high108 Ų10869.5 Ų69.551%0.50538%0.384SS..  trans-93.4150.4178.8-72.5-175.61.500112Y119 T120 V123Y119-Q125 HydrophobicContact CE1-CB 4.01Å; Y119-Q125 PolarHBondContact OH-OE1 2.98Å; T120-Q125 WeakPolarHBondContact CA-O 3.38Å; T120-Q125 WeakPolarHBondContact CG2-O 3.41Å; V123-Q125 VanDerWaalsContact C-N 3.25Å; V123-Q125 HydrophobicContact CG1-CB 4.38Å; V123-Q125 HydrophobicContact CG1-CG 3.94Å; V123-Q125 PolarHBondContact O-N 3.45Å
126Q95.4Very high91Very high103 Ų10373 Ų7348%0.48139%0.392SS..  trans-84.6118176.2-60.9-67.8-67.100109.6A146 P148 L149Q126-A146 HydrophobicContact CB-CB 4.31Å; Q126-A146 VanDerWaalsContact OE1-CB 3.25Å; Q126-P148 VanDerWaalsContact OE1-CD 3.3Å; Q126-L149 HydrophobicContact CB-CB 4.11Å; Q126-L149 HydrophobicContact CB-CD2 4.09Å
127A95.6Very high89.5Confident20 Ų2077.7 Ų77.717%0.16542%0.423CS..  trans-136.8147.2178.800000110.4L116 Y119 T120 A146L116-A127 HydrophobicContact CD1-CB 3.44Å; L116-A127 VanDerWaalsContact CD1-CB 3.44Å; Y119-A127 HydrophobicContact CD1-CB 3.97Å; Y119-A127 HydrophobicContact CE1-CB 4.08Å; T120-A127 HydrophobicContact CG2-CB 4.11Å; A127-A146 PolarHBondContact O-N 3.48Å
128I95.8Very high88.5Confident44 Ų4479.9 Ų79.923%0.22644%0.435CS..EExtended strand (participates in β ladder)trans-137.6158.3177.259.8141.6000110.9L130 V143 F144 L149 E150 V153I128-L130 HydrophobicContact CD1-CB 4.42Å; I128-V143 HydrophobicContact CB-CG2 4.33Å; I128-V143 HydrophobicContact CD1-CG2 3.66Å; I128-F144 CarbonylContact C-O 3.47Å; I128-F144 VanDerWaalsContact CA-O 3.31Å; I128-F144 WeakPolarHBondContact CA-O 3.1Å; I128-L149 HydrophobicContact CG1-CD2 4Å; I128-L149 HydrophobicContact CG1-CG 4.19Å; I128-L149 HydrophobicContact CG2-CB 4.04Å; I128-L149 HydrophobicContact CG2-CD2 4Å; I128-L149 HydrophobicContact CG2-CG 3.85Å; I128-E150 HydrophobicContact CG2-CB 4.29Å; I128-V153 HydrophobicContact CD1-CB 4.1Å; I128-V153 HydrophobicContact CD1-CG1 4.06Å; I128-V153 HydrophobicContact CD1-CG2 3.65Å
129V96.1Very high88Confident32 Ų3278.4 Ų78.419%0.19443%0.434CS..EExtended strand (participates in β ladder)trans-113.6128.3165172.20000108.2L112 L116 V143 F144L112-V129 HydrophobicContact CD1-CG1 4.48Å; L116-V129 HydrophobicContact CD2-CG2 4.15Å; V129-V143 WeakPolarHBondContact O-CA 3.36Å; V129-F144 HydrophobicContact CB-CD1 4.38Å; V129-F144 HydrophobicContact CB-CD2 4.38Å; V129-F144 HydrophobicContact CB-CE1 3.77Å; V129-F144 HydrophobicContact CB-CE2 3.79Å; V129-F144 HydrophobicContact CB-CZ 3.48Å; V129-F144 VanDerWaalsContact CB-CZ 3.48Å; V129-F144 HydrophobicContact CG1-CE1 3.72Å; V129-F144 HydrophobicContact CG1-CE2 4.43Å; V129-F144 HydrophobicContact CG1-CZ 3.62Å; V129-F144 HydrophobicContact CG2-CE2 4.08Å; V129-F144 HydrophobicContact CG2-CZ 4.03Å; V129-F144 PolarHBondContact N-O 3.18Å; V129-F144 PolarHBondContact O-N 2.83Å; V129-F144 VanDerWaalsContact O-N 3.1Å
130L94.4Very high87.5Confident58 Ų5876.2 Ų76.230%0.30443%0.431SS..EExtended strand (participates in β ladder)trans-115.1124.9177.5177.164.9000109.5I128 V132 F141 V143 V153 M160I128-L130 HydrophobicContact CD1-CB 4.42Å; L130-V132 HydrophobicContact CD1-CG2 3.64Å; L130-V132 HydrophobicContact CD2-CG2 3.9Å; L130-V132 HydrophobicContact CG-CG2 3.6Å; L130-F141 HydrophobicContact CD1-CD2 4.28Å; L130-F141 HydrophobicContact CD1-CE1 4.12Å; L130-F141 HydrophobicContact CD1-CE2 3.8Å; L130-F141 HydrophobicContact CD1-CZ 3.71Å; L130-V143 HydrophobicContact CD1-CB 3.95Å; L130-V143 HydrophobicContact CD1-CG2 4.38Å; L130-V153 HydrophobicContact CD1-CG1 4.4Å; L130-V153 HydrophobicContact CD2-CG1 4.46Å; L130-M160 HydrophobicContact CD2-CE 3.33Å; L130-M160 HydrophobicContact CD2-SD 4.31Å
131C92.6Very high87.4Confident37 Ų3776.3 Ų76.325%0.2543%0.429CS..EExtended strand (participates in β ladder)trans-119.7114.4173.4-57.50000108.8K142C131-K142 HydrophobicContact CB-CB 4.26Å; C131-K142 PolarHBondContact N-O 2.97Å; C131-K142 PolarHBondContact O-N 3.49Å
132V90.1Very high87.3Confident37 Ų3775.5 Ų75.522%0.22442%0.416CS..EExtended strand (participates in β ladder)trans-122.3138.2-177.8-168.40000110.1L130 V140 F141 L161 L164L130-V132 HydrophobicContact CD1-CG2 3.64Å; L130-V132 HydrophobicContact CD2-CG2 3.9Å; L130-V132 HydrophobicContact CG-CG2 3.6Å; V132-V140 CarbonylContact C-O 3.57Å; V132-V140 VanDerWaalsContact CA-O 3.27Å; V132-V140 WeakPolarHBondContact CA-O 3.49Å; V132-F141 HydrophobicContact CG1-CD2 4.36Å; V132-F141 HydrophobicContact CG2-CD2 3.94Å; V132-F141 HydrophobicContact CG2-CE2 4.2Å; V132-L161 HydrophobicContact CG1-CD2 3.38Å; V132-L161 HydrophobicContact CG1-CG 4.42Å; V132-L164 HydrophobicContact CB-CD2 3.73Å; V132-L164 HydrophobicContact CG1-CD2 3.51Å
133S85.1Confident87.2Confident56 Ų5666.4 Ų66.439%0.39238%0.382SS..EExtended strand (participates in β ladder)trans-135.3105.5167.1-51.60000108S135 P139 V140S133-S135 PolarHBondContact O-N 3.11Å; S133-S135 VanDerWaalsContact O-N 3.12Å; S133-P139 WeakPolarHBondContact O-CA 3.2Å; S133-V140 PolarHBondContact N-O 3.13Å; S133-V140 PolarHBondContact O-N 2.79Å
134P77.1Confident87.1Confident40 Ų4062.9 Ų62.926%0.2636%0.361SS..  trans-71.7106.3172.426.7-25.3000107.1L164 E165 L168P134-L164 HydrophobicContact CG-CD2 4.24Å; P134-L164 HydrophobicContact CG-CG 4.35Å; P134-E165 HydrophobicContact CB-CB 4.49Å; P134-L168 HydrophobicContact CG-CD1 3.28Å
135S67.6Low87.1Confident67 Ų6760.9 Ų60.947%0.46934%0.34SS..  trans-141.5104.1176.8-64.30000107S133 P137 N138 P139S133-S135 PolarHBondContact O-N 3.11Å; S133-S135 VanDerWaalsContact O-N 3.12Å; S135-P137 CarbonylContact O-C 3.56Å; S135-N138 CarbonylContact O-C 3.55Å; S135-N138 WeakPolarHBondContact O-CA 3.33Å; S135-N138 PolarHBondContact O-N 2.96Å; S135-P139 VanDerWaalsContact O-N 3.13Å
136K63.2Low87.1Confident163 Ų16356.3 Ų56.371%0.70932%0.32SS*.SBendtrans-73129.5172.8-69.6172.5177.9156.90107.5E165K136-E165 VanDerWaalsContact CE-OE1 3.23Å; K136-E165 WeakPolarHBondContact CE-OE1 3.2Å; K136-E165 VanDerWaalsContact CE-OE2 3.28Å; K136-E165 WeakPolarHBondContact CE-OE2 3.38Å; K136-E165 IonicContact NZ-OE1 3.87Å; K136-E165 PolarHBondContact NZ-OE1 3.19Å; K136-E165 IonicContact NZ-OE2 3.54Å; K136-E165 PolarHBondContact NZ-OE2 3.48Å
137P64.6Low87Confident116 Ų11654.2 Ų54.275%0.75332%0.321SS*.SBendcis-92.2-11.112.835.1-35.7000116S135 P139S135-P137 CarbonylContact O-C 3.56Å; P137-P139 WeakPolarHBondContact O-CD 3.14Å
138N73.8Confident86.9Confident129 Ų12957.3 Ų57.369%0.6934%0.339SS*.  trans-113.382.1-172.1-70.3-28.3000113S135 V140S135-N138 CarbonylContact O-C 3.55Å; S135-N138 WeakPolarHBondContact O-CA 3.33Å; S135-N138 PolarHBondContact O-N 2.96Å; N138-V140 PolarHBondContact O-N 3.41Å
139P84.8Confident86.9Confident65 Ų6557.9 Ų57.942%0.42234%0.342SS..  trans-68130.4177.727.6-34000110.6S133 S135 P137 L161S133-P139 WeakPolarHBondContact O-CA 3.2Å; S135-P139 VanDerWaalsContact O-N 3.13Å; P137-P139 WeakPolarHBondContact O-CD 3.14Å; P139-L161 HydrophobicContact CB-CD1 4.41Å; P139-L161 HydrophobicContact CB-CD2 4.19Å
140V86.9Confident86.9Confident55 Ų5558 Ų5833%0.33334%0.341SS..EExtended strand (participates in β ladder)trans-88.8122174.4-177.60000108.3V132 S133 N138 K142V132-V140 CarbonylContact C-O 3.57Å; V132-V140 VanDerWaalsContact CA-O 3.27Å; V132-V140 WeakPolarHBondContact CA-O 3.49Å; S133-V140 PolarHBondContact N-O 3.13Å; S133-V140 PolarHBondContact O-N 2.79Å; N138-V140 PolarHBondContact O-N 3.41Å; V140-K142 HydrophobicContact CG1-CD 4.23Å; V140-K142 HydrophobicContact CG1-CG 4.07Å
141F93.3Very high87Confident25 Ų2560.3 Ų60.311%0.1135%0.353CS..EExtended strand (participates in β ladder)trans-133.7100.5172.4-171.2-85000109.1L130 V132 V143 V153 K157 L161L130-F141 HydrophobicContact CD1-CD2 4.28Å; L130-F141 HydrophobicContact CD1-CE1 4.12Å; L130-F141 HydrophobicContact CD1-CE2 3.8Å; L130-F141 HydrophobicContact CD1-CZ 3.71Å; V132-F141 HydrophobicContact CG1-CD2 4.36Å; V132-F141 HydrophobicContact CG2-CD2 3.94Å; V132-F141 HydrophobicContact CG2-CE2 4.2Å; F141-V143 HydrophobicContact CD1-CG1 4.48Å; F141-V143 HydrophobicContact CE1-CB 4.26Å; F141-V143 HydrophobicContact CE1-CG1 3.88Å; F141-V153 HydrophobicContact CZ-CG1 4.1Å; F141-K157 HydrophobicContact CB-CD 4.24Å; F141-K157 HydrophobicContact CB-CG 4.44Å; F141-K157 HydrophobicContact CD1-CB 4.41Å; F141-K157 HydrophobicContact CD1-CD 3.82Å; F141-K157 HydrophobicContact CD1-CG 3.91Å; F141-K157 HydrophobicContact CD2-CB 4.48Å; F141-K157 HydrophobicContact CD2-CD 4.43Å; F141-K157 HydrophobicContact CD2-CG 3.79Å; F141-K157 HydrophobicContact CE1-CB 4.02Å; F141-K157 HydrophobicContact CE1-CD 4.25Å; F141-K157 HydrophobicContact CE1-CG 4.03Å; F141-K157 HydrophobicContact CE2-CB 4.09Å; F141-K157 HydrophobicContact CE2-CG 3.9Å; F141-K157 HydrophobicContact CG-CD 3.91Å; F141-K157 HydrophobicContact CG-CG 3.79Å; F141-K157 HydrophobicContact CZ-CB 3.84Å; F141-K157 HydrophobicContact CZ-CG 4.01Å; F141-L161 HydrophobicContact CD2-CD1 4.35Å; F141-L161 HydrophobicContact CD2-CD2 4.4Å; F141-L161 HydrophobicContact CD2-CG 4.12Å
142K92.1Very high87.2Confident99 Ų9962 Ų6243%0.4336%0.363SS..EExtended strand (participates in β ladder)trans-116.6118.7178.7-65.7179.5-177.9178.80108.7C131 V140C131-K142 HydrophobicContact CB-CB 4.26Å; C131-K142 PolarHBondContact N-O 2.97Å; C131-K142 PolarHBondContact O-N 3.49Å; V140-K142 HydrophobicContact CG1-CD 4.23Å; V140-K142 HydrophobicContact CG1-CG 4.07Å
143V95.1Very high87.5Confident4 Ų461.2 Ų61.22%0.02436%0.358CS..EExtended strand (participates in β ladder)trans-125.6141.8173.562.10000109I128 V129 L130 F141 E150 V153 R154I128-V143 HydrophobicContact CB-CG2 4.33Å; I128-V143 HydrophobicContact CD1-CG2 3.66Å; V129-V143 WeakPolarHBondContact O-CA 3.36Å; L130-V143 HydrophobicContact CD1-CB 3.95Å; L130-V143 HydrophobicContact CD1-CG2 4.38Å; F141-V143 HydrophobicContact CD1-CG1 4.48Å; F141-V143 HydrophobicContact CE1-CB 4.26Å; F141-V143 HydrophobicContact CE1-CG1 3.88Å; V143-E150 HydrophobicContact CG1-CG 3.98Å; V143-E150 HydrophobicContact CG2-CG 4.19Å; V143-V153 HydrophobicContact CG2-CB 4.37Å; V143-V153 HydrophobicContact CG2-CG1 4.01Å; V143-R154 HydrophobicContact CG1-CG 3.53Å; V143-R154 VanDerWaalsContact CG1-CZ 3.48Å; V143-R154 PolarHBondContact O-NH2 3.44Å
144F94.9Very high88Confident3 Ų364 Ų641%0.01336%0.36CS..EExtended strand (participates in β ladder)trans-154.6153.4172.361.4-87.7000111.7L109 L112 R113 L116 I128 V129 E150L109-F144 HydrophobicContact CD2-CE1 3.76Å; L109-F144 HydrophobicContact CD2-CZ 3.99Å; L112-F144 HydrophobicContact CB-CE2 4.44Å; L112-F144 HydrophobicContact CB-CZ 4.17Å; R113-F144 HydrophobicContact CB-CD2 4.46Å; R113-F144 HydrophobicContact CB-CE2 4.17Å; R113-F144 HydrophobicContact CG-CD2 3.34Å; R113-F144 HydrophobicContact CG-CE2 3.24Å; R113-F144 HydrophobicContact CG-CG 4.12Å; R113-F144 HydrophobicContact CG-CZ 3.95Å; R113-F144 VanDerWaalsContact CZ-CB 3.42Å; R113-F144 VanDerWaalsContact NH2-CB 3.34Å; L116-F144 HydrophobicContact CD2-CD2 3.92Å; L116-F144 HydrophobicContact CD2-CE2 4.04Å; L116-F144 WeakPolarHBondContact CD2-O 3.38Å; I128-F144 CarbonylContact C-O 3.47Å; I128-F144 VanDerWaalsContact CA-O 3.31Å; I128-F144 WeakPolarHBondContact CA-O 3.1Å; V129-F144 HydrophobicContact CB-CD1 4.38Å; V129-F144 HydrophobicContact CB-CD2 4.38Å; V129-F144 HydrophobicContact CB-CE1 3.77Å; V129-F144 HydrophobicContact CB-CE2 3.79Å; V129-F144 HydrophobicContact CB-CZ 3.48Å; V129-F144 VanDerWaalsContact CB-CZ 3.48Å; V129-F144 HydrophobicContact CG1-CE1 3.72Å; V129-F144 HydrophobicContact CG1-CE2 4.43Å; V129-F144 HydrophobicContact CG1-CZ 3.62Å; V129-F144 HydrophobicContact CG2-CE2 4.08Å; V129-F144 HydrophobicContact CG2-CZ 4.03Å; V129-F144 PolarHBondContact N-O 3.18Å; V129-F144 PolarHBondContact O-N 2.83Å; V129-F144 VanDerWaalsContact O-N 3.1Å; F144-E150 WeakPolarHBondContact CA-OE2 3.45Å
145G94.2Very high88.9Confident18 Ų1870 Ų7019%0.18638%0.382CS..EExtended strand (participates in β ladder)trans151.2-136.4172.200000111.5A147 E150G145-A147 PolarHBondContact O-N 3.39Å; G145-E150 PolarHBondContact N-OE2 3.43Å
146A95.4Very high90.2Very high11 Ų1172 Ų729%0.09138%0.379CS..SBendtrans-63.5121.6175.800000110.8T120 Q126 A127 L149 E150T120-A146 HydrophobicContact CG2-CB 4.03Å; Q126-A146 HydrophobicContact CB-CB 4.31Å; Q126-A146 VanDerWaalsContact OE1-CB 3.25Å; A127-A146 PolarHBondContact O-N 3.48Å; A146-L149 PolarHBondContact O-N 2.94Å; A146-E150 WeakPolarHBondContact O-CB 3.42Å; A146-E150 PolarHBondContact O-N 3.3Å
147A93.4Very high91.6Very high60 Ų6068.5 Ų68.550%0.49636%0.364SS..Hα-helixtrans-54.3-42.5-171.700000114.9G145 L149 E150 N151G145-A147 PolarHBondContact O-N 3.39Å; A147-L149 PolarHBondContact O-N 3.48Å; A147-E150 PolarHBondContact O-N 3.27Å; A147-N151 WeakPolarHBondContact O-CB 3.5Å; A147-N151 PolarHBondContact O-N 3.3Å; A147-N151 PolarHBondContact O-ND2 2.92Å
148P94.9Very high92.8Very high84 Ų8467.4 Ų67.455%0.54536%0.36SS..Hα-helixtrans-59.2-47.8177.2-24.333.6000113.1Q126 N151 V152Q126-P148 VanDerWaalsContact OE1-CD 3.3Å; P148-N151 PolarHBondContact O-N 2.91Å; P148-V152 WeakPolarHBondContact O-CG2 3.33Å; P148-V152 PolarHBondContact O-N 3.01Å
149L95.9Very high93.7Very high56 Ų5666 Ų6629%0.29335%0.35SS..Hα-helixtrans-71.8-36.7179.6-178.458.4000112Q126 I128 A146 A147 N151 V152 V153Q126-L149 HydrophobicContact CB-CB 4.11Å; Q126-L149 HydrophobicContact CB-CD2 4.09Å; I128-L149 HydrophobicContact CG1-CD2 4Å; I128-L149 HydrophobicContact CG1-CG 4.19Å; I128-L149 HydrophobicContact CG2-CB 4.04Å; I128-L149 HydrophobicContact CG2-CD2 4Å; I128-L149 HydrophobicContact CG2-CG 3.85Å; A146-L149 PolarHBondContact O-N 2.94Å; A147-L149 PolarHBondContact O-N 3.48Å; L149-N151 VanDerWaalsContact C-N 3.31Å; L149-N151 PolarHBondContact O-N 3.45Å; L149-V152 PolarHBondContact O-N 3.33Å; L149-V153 HydrophobicContact CD1-CG2 4.41Å; L149-V153 WeakPolarHBondContact O-CG2 3.4Å; L149-V153 PolarHBondContact O-N 3.15Å
150E95.6Very high94.1Very high36 Ų3666 Ų6617%0.16835%0.345CS..Hα-helixtrans-56.5-46.4174.1-176.6-179.7149.700111.4I128 V143 F144 G145 A146 A147 V152 V153 R154I128-E150 HydrophobicContact CG2-CB 4.29Å; V143-E150 HydrophobicContact CG1-CG 3.98Å; V143-E150 HydrophobicContact CG2-CG 4.19Å; F144-E150 WeakPolarHBondContact CA-OE2 3.45Å; G145-E150 PolarHBondContact N-OE2 3.43Å; A146-E150 WeakPolarHBondContact O-CB 3.42Å; A146-E150 PolarHBondContact O-N 3.3Å; A147-E150 PolarHBondContact O-N 3.27Å; E150-V152 VanDerWaalsContact C-N 3.34Å; E150-V152 PolarHBondContact O-N 2.89Å; E150-V153 PolarHBondContact O-N 3.42Å; E150-R154 HydrophobicContact CG-CG 4.49Å; E150-R154 WeakPolarHBondContact O-CG 3.5Å; E150-R154 PolarHBondContact O-N 3.03Å; E150-R154 IonicContact OE1-CZ 2.75Å; E150-R154 IonicContact OE1-NE 3.31Å; E150-R154 PolarHBondContact OE1-NE 3.26Å; E150-R154 IonicContact OE1-NH2 3.62Å; E150-R154 PolarHBondContact OE1-NH2 3.33Å
151N96.4Very high94.3Very high105 Ų10564.5 Ų64.556%0.56134%0.335SS*.Hα-helixtrans-62.4-40.4179.3-71.1-21.7000112.3A147 P148 L149 R154 K155A147-N151 WeakPolarHBondContact O-CB 3.5Å; A147-N151 PolarHBondContact O-N 3.3Å; A147-N151 PolarHBondContact O-ND2 2.92Å; P148-N151 PolarHBondContact O-N 2.91Å; L149-N151 VanDerWaalsContact C-N 3.31Å; L149-N151 PolarHBondContact O-N 3.45Å; N151-R154 PolarHBondContact O-N 3.24Å; N151-K155 PolarHBondContact O-N 3.42Å; N151-K155 VanDerWaalsContact O-N 3.1Å
152V96.4Very high94.2Very high74 Ų7469.1 Ų69.145%0.44836%0.357SS..Hα-helixtrans-61.5-47.2175.4174.80000110.4P148 L149 E150 R154 K155 Y156P148-V152 WeakPolarHBondContact O-CG2 3.33Å; P148-V152 PolarHBondContact O-N 3.01Å; L149-V152 PolarHBondContact O-N 3.33Å; E150-V152 VanDerWaalsContact C-N 3.34Å; E150-V152 PolarHBondContact O-N 2.89Å; V152-R154 PolarHBondContact O-N 3Å; V152-K155 VanDerWaalsContact O-CB 3.29Å; V152-K155 WeakPolarHBondContact O-CB 3.24Å; V152-K155 PolarHBondContact O-N 3Å; V152-K155 VanDerWaalsContact O-N 3.15Å; V152-Y156 HydrophobicContact CG1-CD2 4.13Å; V152-Y156 HydrophobicContact CG1-CE2 3.89Å; V152-Y156 WeakPolarHBondContact O-CD2 3.28Å; V152-Y156 PolarHBondContact O-N 3.49Å
153V96.3Very high94.1Very high19 Ų1968.5 Ų68.512%0.11536%0.359CS..Hα-helixtrans-67.9-36.1-179.2172.40000111.9I128 L130 F141 V143 L149 E150 K155 Y156 K157 M160I128-V153 HydrophobicContact CD1-CB 4.1Å; I128-V153 HydrophobicContact CD1-CG1 4.06Å; I128-V153 HydrophobicContact CD1-CG2 3.65Å; L130-V153 HydrophobicContact CD1-CG1 4.4Å; L130-V153 HydrophobicContact CD2-CG1 4.46Å; F141-V153 HydrophobicContact CZ-CG1 4.1Å; V143-V153 HydrophobicContact CG2-CB 4.37Å; V143-V153 HydrophobicContact CG2-CG1 4.01Å; L149-V153 HydrophobicContact CD1-CG2 4.41Å; L149-V153 WeakPolarHBondContact O-CG2 3.4Å; L149-V153 PolarHBondContact O-N 3.15Å; E150-V153 PolarHBondContact O-N 3.42Å; V153-K155 VanDerWaalsContact C-N 3.27Å; V153-K155 PolarHBondContact O-N 3.41Å; V153-Y156 PolarHBondContact O-N 2.68Å; V153-K157 PolarHBondContact O-N 2.79Å; V153-M160 HydrophobicContact CG1-SD 3.97Å
154R95.4Very high93.9Very high115 Ų11571.1 Ų71.143%0.43437%0.372SS..Hα-helixtrans-61.1-35.4172.4-72.8-179.6-175.8-73.9-1.1112.3V143 E150 N151 V152 Y156 K157V143-R154 HydrophobicContact CG1-CG 3.53Å; V143-R154 VanDerWaalsContact CG1-CZ 3.48Å; V143-R154 PolarHBondContact O-NH2 3.44Å; E150-R154 HydrophobicContact CG-CG 4.49Å; E150-R154 WeakPolarHBondContact O-CG 3.5Å; E150-R154 PolarHBondContact O-N 3.03Å; E150-R154 IonicContact OE1-CZ 2.75Å; E150-R154 IonicContact OE1-NE 3.31Å; E150-R154 PolarHBondContact OE1-NE 3.26Å; E150-R154 IonicContact OE1-NH2 3.62Å; E150-R154 PolarHBondContact OE1-NH2 3.33Å; N151-R154 PolarHBondContact O-N 3.24Å; V152-R154 PolarHBondContact O-N 3Å; R154-Y156 VanDerWaalsContact C-N 3.31Å; R154-Y156 PolarHBondContact O-N 2.88Å; R154-K157 VanDerWaalsContact O-CB 3.28Å; R154-K157 WeakPolarHBondContact O-CB 3.23Å; R154-K157 PolarHBondContact O-N 3.1Å
155K95.9Very high93.6Very high166 Ų16674.6 Ų74.672%0.72239%0.389SS*.Hα-helixtrans-62.6-36.5175.4-174.1-174.7175.9-174.70112.4N151 V152 V153N151-K155 PolarHBondContact O-N 3.42Å; N151-K155 VanDerWaalsContact O-N 3.1Å; V152-K155 VanDerWaalsContact O-CB 3.29Å; V152-K155 WeakPolarHBondContact O-CB 3.24Å; V152-K155 PolarHBondContact O-N 3Å; V152-K155 VanDerWaalsContact O-N 3.15Å; V153-K155 VanDerWaalsContact C-N 3.27Å; V153-K155 PolarHBondContact O-N 3.41Å
156Y95.4Very high93.4Very high108 Ų10877.8 Ų77.842%0.42440%0.401SS..THydrogen-bonded Turntrans-91.19.6-179.8-66-73.6000114.2V152 V153 R154 S158 M159 M160V152-Y156 HydrophobicContact CG1-CD2 4.13Å; V152-Y156 HydrophobicContact CG1-CE2 3.89Å; V152-Y156 WeakPolarHBondContact O-CD2 3.28Å; V152-Y156 PolarHBondContact O-N 3.49Å; V153-Y156 PolarHBondContact O-N 2.68Å; R154-Y156 VanDerWaalsContact C-N 3.31Å; R154-Y156 PolarHBondContact O-N 2.88Å; Y156-S158 VanDerWaalsContact C-N 3.34Å; Y156-S158 PolarHBondContact O-N 3.03Å; Y156-M159 HydrophobicContact CD1-CE 4.05Å; Y156-M159 HydrophobicContact CD1-SD 4.24Å; Y156-M159 PolarHBondContact O-N 3.17Å; Y156-M160 WeakPolarHBondContact O-CG 3.25Å; Y156-M160 PolarHBondContact O-N 3.26Å
157K92.1Very high93.1Very high90 Ų9079.1 Ų79.139%0.39141%0.412SS..Hα-helixtrans-47.8-49.7-176.4171.8177.9174.9-173.40113.8F141 V153 R154 M160 L161F141-K157 HydrophobicContact CB-CD 4.24Å; F141-K157 HydrophobicContact CB-CG 4.44Å; F141-K157 HydrophobicContact CD1-CB 4.41Å; F141-K157 HydrophobicContact CD1-CD 3.82Å; F141-K157 HydrophobicContact CD1-CG 3.91Å; F141-K157 HydrophobicContact CD2-CB 4.48Å; F141-K157 HydrophobicContact CD2-CD 4.43Å; F141-K157 HydrophobicContact CD2-CG 3.79Å; F141-K157 HydrophobicContact CE1-CB 4.02Å; F141-K157 HydrophobicContact CE1-CD 4.25Å; F141-K157 HydrophobicContact CE1-CG 4.03Å; F141-K157 HydrophobicContact CE2-CB 4.09Å; F141-K157 HydrophobicContact CE2-CG 3.9Å; F141-K157 HydrophobicContact CG-CD 3.91Å; F141-K157 HydrophobicContact CG-CG 3.79Å; F141-K157 HydrophobicContact CZ-CB 3.84Å; F141-K157 HydrophobicContact CZ-CG 4.01Å; V153-K157 PolarHBondContact O-N 2.79Å; R154-K157 VanDerWaalsContact O-CB 3.28Å; R154-K157 WeakPolarHBondContact O-CB 3.23Å; R154-K157 PolarHBondContact O-N 3.1Å; K157-M160 PolarHBondContact O-N 3.02Å; K157-L161 HydrophobicContact CG-CD1 3.87Å; K157-L161 WeakPolarHBondContact O-CB 3.31Å; K157-L161 WeakPolarHBondContact O-CG 3.4Å; K157-L161 PolarHBondContact O-N 2.99Å
158S90.9Very high92.7Very high94 Ų9480.6 Ų80.666%0.65741%0.411SS*.Hα-helixtrans-65.1-47.2-175.5-55.40000111.8Y156 M160 L161 E162Y156-S158 VanDerWaalsContact C-N 3.34Å; Y156-S158 PolarHBondContact O-N 3.03Å; S158-M160 PolarHBondContact O-N 2.89Å; S158-L161 PolarHBondContact O-N 3.42Å; S158-E162 PolarHBondContact O-N 3.19Å
159M93.3Very high92.2Very high99 Ų9979.9 Ų79.949%0.48841%0.412SS..Hα-helixtrans-60-46.6177.8-170.3-174.487.100110.9Y156 L161 E162 D163Y156-M159 HydrophobicContact CD1-CE 4.05Å; Y156-M159 HydrophobicContact CD1-SD 4.24Å; Y156-M159 PolarHBondContact O-N 3.17Å; M159-L161 VanDerWaalsContact C-N 3.34Å; M159-L161 PolarHBondContact O-N 3.48Å; M159-E162 PolarHBondContact O-N 2.9Å; M159-D163 WeakPolarHBondContact O-CB 3.4Å; M159-D163 VanDerWaalsContact O-CG 3.25Å; M159-D163 PolarHBondContact O-N 2.79Å
160M92.8Very high91.6Very high64 Ų6484.7 Ų84.732%0.31543%0.434SS..Hα-helixtrans-64.7-35.4178.9-66.6-175.577.200113.4L130 V153 Y156 K157 S158 L164L130-M160 HydrophobicContact CD2-CE 3.33Å; L130-M160 HydrophobicContact CD2-SD 4.31Å; V153-M160 HydrophobicContact CG1-SD 3.97Å; Y156-M160 WeakPolarHBondContact O-CG 3.25Å; Y156-M160 PolarHBondContact O-N 3.26Å; K157-M160 PolarHBondContact O-N 3.02Å; S158-M160 PolarHBondContact O-N 2.89Å; M160-L164 WeakPolarHBondContact O-CB 3.43Å; M160-L164 PolarHBondContact O-N 3.38Å
161L91.1Very high90.5Very high25 Ų2590.4 Ų90.413%0.13146%0.46CS..Hα-helixtrans-68.7-41.7177.1-82.6168.1000111.6V132 P139 F141 K157 S158 M159 E165V132-L161 HydrophobicContact CG1-CD2 3.38Å; V132-L161 HydrophobicContact CG1-CG 4.42Å; P139-L161 HydrophobicContact CB-CD1 4.41Å; P139-L161 HydrophobicContact CB-CD2 4.19Å; F141-L161 HydrophobicContact CD2-CD1 4.35Å; F141-L161 HydrophobicContact CD2-CD2 4.4Å; F141-L161 HydrophobicContact CD2-CG 4.12Å; K157-L161 HydrophobicContact CG-CD1 3.87Å; K157-L161 WeakPolarHBondContact O-CB 3.31Å; K157-L161 WeakPolarHBondContact O-CG 3.4Å; K157-L161 PolarHBondContact O-N 2.99Å; S158-L161 PolarHBondContact O-N 3.42Å; M159-L161 VanDerWaalsContact C-N 3.34Å; M159-L161 PolarHBondContact O-N 3.48Å; L161-E165 WeakPolarHBondContact O-CB 3.41Å; L161-E165 PolarHBondContact O-N 3.25Å
162E90Very high89.1Confident121 Ų12187.9 Ų87.957%0.56545%0.453SS*.Hα-helixtrans-66.7-50.7177.3-177.1175.3-176.600111.4S158 M159 L164 E165 N166S158-E162 PolarHBondContact O-N 3.19Å; M159-E162 PolarHBondContact O-N 2.9Å; E162-L164 VanDerWaalsContact C-N 3.28Å; E162-L164 PolarHBondContact O-N 3.28Å; E162-E165 PolarHBondContact O-N 2.8Å; E162-E165 VanDerWaalsContact O-N 3.12Å; E162-N166 PolarHBondContact O-N 2.96Å; E162-N166 PolarHBondContact O-ND2 3.1Å
163D91.6Very high87.3Confident86 Ų8690 Ų9046%0.4647%0.469SS..Hα-helixtrans-60.8-38.6178.4-69.6-16.7000111.6M159 N166 A167M159-D163 WeakPolarHBondContact O-CB 3.4Å; M159-D163 VanDerWaalsContact O-CG 3.25Å; M159-D163 PolarHBondContact O-N 2.79Å; D163-N166 PolarHBondContact O-N 3.41Å; D163-A167 WeakPolarHBondContact O-CB 3.24Å; D163-A167 PolarHBondContact O-N 3.37Å
164L90.4Very high85.1Confident60 Ų6093.9 Ų93.931%0.31450%0.503SS..Hα-helixtrans-68.5-39.9175.9-178.464.3000111.8V132 P134 M160 E162 N166 A167 L168V132-L164 HydrophobicContact CB-CD2 3.73Å; V132-L164 HydrophobicContact CG1-CD2 3.51Å; P134-L164 HydrophobicContact CG-CD2 4.24Å; P134-L164 HydrophobicContact CG-CG 4.35Å; M160-L164 WeakPolarHBondContact O-CB 3.43Å; M160-L164 PolarHBondContact O-N 3.38Å; E162-L164 VanDerWaalsContact C-N 3.28Å; E162-L164 PolarHBondContact O-N 3.28Å; L164-N166 VanDerWaalsContact C-N 3.32Å; L164-A167 PolarHBondContact O-N 3.36Å; L164-L168 HydrophobicContact CD1-CD1 4.29Å; L164-L168 HydrophobicContact CD1-CG 4.25Å; L164-L168 HydrophobicContact CG-CD1 4.03Å; L164-L168 HydrophobicContact CG-CG 4.41Å; L164-L168 WeakPolarHBondContact O-CB 3.15Å; L164-L168 WeakPolarHBondContact O-CG 3.46Å; L164-L168 PolarHBondContact O-N 3.33Å
165E88.4Confident82.7Confident76 Ų7691.9 Ų91.936%0.35552%0.518SS..Hα-helixtrans-61.6-43.5175-175.6170.9-160.300110.8P134 K136 L161 E162 L168 A169P134-E165 HydrophobicContact CB-CB 4.49Å; K136-E165 VanDerWaalsContact CE-OE1 3.23Å; K136-E165 WeakPolarHBondContact CE-OE1 3.2Å; K136-E165 VanDerWaalsContact CE-OE2 3.28Å; K136-E165 WeakPolarHBondContact CE-OE2 3.38Å; K136-E165 IonicContact NZ-OE1 3.87Å; K136-E165 PolarHBondContact NZ-OE1 3.19Å; K136-E165 IonicContact NZ-OE2 3.54Å; K136-E165 PolarHBondContact NZ-OE2 3.48Å; L161-E165 WeakPolarHBondContact O-CB 3.41Å; L161-E165 PolarHBondContact O-N 3.25Å; E162-E165 PolarHBondContact O-N 2.8Å; E162-E165 VanDerWaalsContact O-N 3.12Å; E165-L168 PolarHBondContact O-N 3.29Å; E165-A169 WeakPolarHBondContact O-CB 3.46Å; E165-A169 PolarHBondContact O-N 3.35Å
166N89.1Confident80Confident84 Ų8487 Ų8745%0.44952%0.515SS..Hα-helixtrans-63.5-48176.5-68.2-25.3000111.9E162 D163 L164 L168 A169 E170E162-N166 PolarHBondContact O-N 2.96Å; E162-N166 PolarHBondContact O-ND2 3.1Å; D163-N166 PolarHBondContact O-N 3.41Å; L164-N166 VanDerWaalsContact C-N 3.32Å; N166-L168 VanDerWaalsContact C-N 3.3Å; N166-L168 PolarHBondContact O-N 3.08Å; N166-A169 WeakPolarHBondContact O-CB 3.06Å; N166-A169 PolarHBondContact O-N 2.98Å; N166-A169 VanDerWaalsContact O-N 3.09Å; N166-E170 PolarHBondContact O-N 2.73Å
167A89Confident77.3Confident39 Ų3991.1 Ų91.132%0.32254%0.538SS..Hα-helixtrans-62.3-37.5177.700000112.3D163 L164 A169 E170 H171D163-A167 WeakPolarHBondContact O-CB 3.24Å; D163-A167 PolarHBondContact O-N 3.37Å; L164-A167 PolarHBondContact O-N 3.36Å; A167-A169 VanDerWaalsContact C-N 3.34Å; A167-E170 PolarHBondContact O-N 3.09Å; A167-H171 PolarHBondContact O-CD2 3.37Å; A167-H171 PolarHBondContact O-N 3.37Å; A167-H171 VanDerWaalsContact O-N 3.13Å
168L86Confident74.9Confident91 Ų9194.3 Ų94.348%0.47656%0.559SS.*Hα-helixtrans-68.5-33.6174.4-72.9171.5000112.2P134 L164 E165 N166 A172P134-L168 HydrophobicContact CG-CD1 3.28Å; L164-L168 HydrophobicContact CD1-CD1 4.29Å; L164-L168 HydrophobicContact CD1-CG 4.25Å; L164-L168 HydrophobicContact CG-CD1 4.03Å; L164-L168 HydrophobicContact CG-CG 4.41Å; L164-L168 WeakPolarHBondContact O-CB 3.15Å; L164-L168 WeakPolarHBondContact O-CG 3.46Å; L164-L168 PolarHBondContact O-N 3.33Å; E165-L168 PolarHBondContact O-N 3.29Å; N166-L168 VanDerWaalsContact C-N 3.3Å; N166-L168 PolarHBondContact O-N 3.08Å; L168-A172 PolarHBondContact O-N 3.24Å
169A83.3Confident72.4Confident69 Ų6993.9 Ų93.957%0.5756%0.56SS**Hα-helixtrans-68.8-36.4174.500000112.2E165 N166 A167 A172E165-A169 WeakPolarHBondContact O-CB 3.46Å; E165-A169 PolarHBondContact O-N 3.35Å; N166-A169 WeakPolarHBondContact O-CB 3.06Å; N166-A169 PolarHBondContact O-N 2.98Å; N166-A169 VanDerWaalsContact O-N 3.09Å; A167-A169 VanDerWaalsContact C-N 3.34Å; A169-A172 WeakPolarHBondContact O-CB 3.44Å; A169-A172 PolarHBondContact O-N 3.15Å
170E84.4Confident70Confident158 Ų15892.8 Ų92.874%0.73856%0.563SS**Hα-helixtrans-67.2-36.2174.5-71.7-178.9176.400112.8N166 A167N166-E170 PolarHBondContact O-N 2.73Å; A167-E170 PolarHBondContact O-N 3.09Å
171H71.6Confident67.9Low156 Ų15696.7 Ų96.772%0.72258%0.58SS**SBendtrans-88.9-3.7177.7-73-60.2000113.9A167A167-H171 PolarHBondContact O-CD2 3.37Å; A167-H171 PolarHBondContact O-N 3.37Å; A167-H171 VanDerWaalsContact O-N 3.13Å
172A67.6Low66.4Low51 Ų5195.5 Ų95.542%0.42157%0.574SS.*SBendtrans-64.1129.9169.500000107.7L168 A169 A174L168-A172 PolarHBondContact O-N 3.24Å; A169-A172 WeakPolarHBondContact O-CB 3.44Å; A169-A172 PolarHBondContact O-N 3.15Å; A172-A174 PolarHBondContact O-N 3.27Å; A172-A174 VanDerWaalsContact O-N 3.11Å
173P59.3Low65.1Low120 Ų12090.4 Ų90.478%0.77955%0.551SS**PPolyproline II helixtrans-53126.717421.3-30.6000107.9G175P173-G175 PolarHBondContact O-N 3.03Å
174A49.3Very low63.5Low99 Ų9989.8 Ų89.882%0.81855%0.552SS**PPolyproline II helixtrans-47.7116.7-179.200000107.9A172 G176A172-A174 PolarHBondContact O-N 3.27Å; A172-A174 VanDerWaalsContact O-N 3.11Å; A174-G176 PolarHBondContact O-N 3.22Å
175G45.5Very low62Low74 Ų7487.3 Ų87.376%0.76354%0.539SS*.  trans-54.4103.2-177.200000108.6P173 E177P173-G175 PolarHBondContact O-N 3.03Å; G175-E177 PolarHBondContact O-N 2.94Å; G175-E177 VanDerWaalsContact O-N 3.15Å
176G38.1Very low60.5Low63 Ų6386.7 Ų86.765%0.64954%0.54SS*.  trans-57.4120.2159.800000105.6A174 L178A174-G176 PolarHBondContact O-N 3.22Å; G176-L178 PolarHBondContact O-N 2.93Å
177E40Very low58.9Low194 Ų19484.1 Ų84.191%0.90753%0.526SS*.  trans-57.386.1164.4-73.9-171143.600108.4G175G175-E177 PolarHBondContact O-N 2.94Å; G175-E177 VanDerWaalsContact O-N 3.15Å
178L41.3Very low57Low158 Ų15889.1 Ų89.183%0.82755%0.548SS*.  trans-138.890.9168.9-69.9178.4000108G176G176-L178 PolarHBondContact O-N 2.93Å
179A39.2Very low55.3Low84 Ų8486.4 Ų86.469%0.69454%0.541SS*.  trans38.1107.8143.100000117.5E181A179-E181 PolarHBondContact O-N 3.12Å
180S41.7Very low53.5Low77 Ų7786.3 Ų86.354%0.53853%0.531SS..  trans42.774.4149.6-51.10000114.8L182S180-L182 PolarHBondContact O-N 2.99Å
181E49.3Very low52Low145 Ų14580.8 Ų80.868%0.67851%0.509SS*.  trans-55.2102.3175.6-168.6170.4-16500110A179A179-E181 PolarHBondContact O-N 3.12Å
182L60.3Low51.5Low1 Ų174.7 Ų74.71%0.00548%0.482CS..PPolyproline II helixtrans-58.3143.2173.9-73.6177.7000109.1S180 M209 Y267 H270S180-L182 PolarHBondContact O-N 2.99Å; L182-M209 HydrophobicContact CD2-CG 4.43Å; L182-Y267 HydrophobicContact CB-CE1 4.42Å; L182-Y267 HydrophobicContact CD1-CD1 4.08Å; L182-Y267 HydrophobicContact CD1-CD2 3.91Å; L182-Y267 HydrophobicContact CD1-CE1 4.33Å; L182-Y267 HydrophobicContact CD1-CE2 4.16Å; L182-Y267 HydrophobicContact CD1-CG 3.87Å; L182-H270 HydrophobicContact CD1-CB 3.54Å; L182-H270 HydrophobicContact CG-CB 3.98Å
183P61Low51.4Low13 Ų1372.8 Ų72.88%0.08447%0.466CS..PPolyproline II helixtrans-61.3130.9-175.522.8-30.4000108.4F205 M209 Y212 Y267P183-F205 HydrophobicContact CG-CE2 4.24Å; P183-F205 HydrophobicContact CG-CZ 4.27Å; P183-M209 HydrophobicContact CG-CB 4.38Å; P183-Y212 HydrophobicContact CB-CD2 3.83Å; P183-Y212 HydrophobicContact CB-CE2 3.85Å; P183-Y212 HydrophobicContact CB-CG 4.5Å; P183-Y212 HydrophobicContact CG-CD2 3.55Å; P183-Y212 HydrophobicContact CG-CE2 4.06Å; P183-Y212 HydrophobicContact CG-CG 4.17Å; P183-Y267 PolarHBondContact O-OH 3.28Å
184P59Low52.1Low73 Ų7367.1 Ų67.147%0.47443%0.429SS..PPolyproline II helixtrans-54.3145.9-179.820.6-30.9000110.1T186P184-T186 HydrophobicContact CB-CG2 4.15Å; P184-T186 PolarHBondContact O-N 3.33Å; P184-T186 PolarHBondContact O-OG1 3.04Å
185L58.6Low53.4Low9 Ų965 Ų655%0.04740%0.404CS..SBendtrans-69.255.7177.5-68.5166.1000111.2P191 V192 V194 F205 V263 Y267 L275 L276L185-P191 CarbonylContact O-C 2.91Å; L185-P191 WeakPolarHBondContact O-CA 3.41Å; L185-V192 PolarHBondContact O-N 3.38Å; L185-V194 HydrophobicContact CD1-CG2 3.78Å; L185-V194 HydrophobicContact CD2-CG2 3.58Å; L185-V194 HydrophobicContact CG-CG2 4.34Å; L185-F205 HydrophobicContact CD2-CE1 3.83Å; L185-F205 HydrophobicContact CD2-CZ 3.72Å; L185-V263 HydrophobicContact CD2-CG1 4.26Å; L185-Y267 HydrophobicContact CD1-CE1 4.16Å; L185-Y267 HydrophobicContact CD2-CE1 4.44Å; L185-Y267 HydrophobicContact CD2-CE2 4.11Å; L185-Y267 WeakPolarHBondContact CD2-OH 3.33Å; L185-Y267 HydrophobicContact CG-CE1 4.04Å; L185-Y267 WeakPolarHBondContact CG-OH 3.46Å; L185-L275 HydrophobicContact CD1-CB 4.46Å; L185-L275 WeakPolarHBondContact CD1-O 3.31Å; L185-L276 HydrophobicContact CD1-CD2 4.11Å
186T57.5Low54.8Low62 Ų6267 Ų6738%0.3839%0.392SS..EExtended strand (participates in β ladder)trans-109.512218053.80000108.9P184 I190P184-T186 HydrophobicContact CB-CG2 4.15Å; P184-T186 PolarHBondContact O-N 3.33Å; P184-T186 PolarHBondContact O-OG1 3.04Å; T186-I190 VanDerWaalsContact CA-O 3.29Å; T186-I190 WeakPolarHBondContact CA-O 3.29Å
187I54.3Low56.7Low31 Ų3164.2 Ų64.216%0.15936%0.362CS..EExtended strand (participates in β ladder)trans-104.1120.3167.9-59.6171.5000105.8G189 I190 V192 M197 Q201I187-G189 PolarHBondContact O-N 2.88Å; I187-I190 PolarHBondContact N-O 3.05Å; I187-I190 PolarHBondContact O-N 3.31Å; I187-V192 HydrophobicContact CB-CG2 4.3Å; I187-V192 HydrophobicContact CD1-CB 4.08Å; I187-V192 HydrophobicContact CD1-CG1 4.33Å; I187-V192 HydrophobicContact CD1-CG2 4.06Å; I187-V192 HydrophobicContact CG1-CG2 4.36Å; I187-M197 HydrophobicContact CD1-CE 3.93Å; I187-M197 HydrophobicContact CD1-CG 3.76Å; I187-M197 HydrophobicContact CD1-SD 4.24Å; I187-Q201 HydrophobicContact CD1-CB 3.7Å; I187-Q201 VanDerWaalsContact CD1-CD 3.46Å; I187-Q201 HydrophobicContact CD1-CG 3.75Å; I187-Q201 HydrophobicContact CG2-CG 4.45Å
188D50.1Low58.8Low144 Ų14458.4 Ų58.477%0.7734%0.34SS*.THydrogen-bonded Turntrans51.832.4-178.6-56.1-38.2000113.7P98P98-D188 WeakPolarHBondContact CD-O 3.2Å; P98-D188 WeakPolarHBondContact CG-O 3.37Å
189G50.2Low60.9Low33 Ų3354.1 Ų54.134%0.3432%0.315SS..THydrogen-bonded Turntrans82.33-178.800000115.7I187I187-G189 PolarHBondContact O-N 2.88Å
190I45.8Very low63Low68 Ų6853.4 Ų53.435%0.34931%0.309SS..EExtended strand (participates in β ladder)trans-100.5125.7175.3-56.6171.8000108.6N97 T186 I187 V192N97-I190 HydrophobicContact CB-CD1 4.42Å; N97-I190 HydrophobicContact CB-CG1 4.21Å; T186-I190 VanDerWaalsContact CA-O 3.29Å; T186-I190 WeakPolarHBondContact CA-O 3.29Å; I187-I190 PolarHBondContact N-O 3.05Å; I187-I190 PolarHBondContact O-N 3.31Å; I190-V192 HydrophobicContact CG2-CG2 4.47Å; I190-V192 PolarHBondContact O-N 3.23Å
191P51.8Low64.9Low42 Ų4252.7 Ų52.727%0.27330%0.297SS..EExtended strand (participates in β ladder)trans-65.7122173.423.9-29.2000110.4L185 F279L185-P191 CarbonylContact O-C 2.91Å; L185-P191 WeakPolarHBondContact O-CA 3.41Å; P191-F279 HydrophobicContact CB-CD1 4.19Å; P191-F279 HydrophobicContact CB-CE1 3.39Å; P191-F279 HydrophobicContact CB-CE2 3.9Å; P191-F279 HydrophobicContact CB-CZ 3.22Å; P191-F279 HydrophobicContact CG-CE1 3.72Å; P191-F279 HydrophobicContact CG-CZ 4Å
192V61Low66.7Low27 Ų2745.8 Ų45.816%0.16427%0.265CS..  trans-120.9121.9178.4-178.10000108.5L185 I187 I190 V194 K196 M197L185-V192 PolarHBondContact O-N 3.38Å; I187-V192 HydrophobicContact CB-CG2 4.3Å; I187-V192 HydrophobicContact CD1-CB 4.08Å; I187-V192 HydrophobicContact CD1-CG1 4.33Å; I187-V192 HydrophobicContact CD1-CG2 4.06Å; I187-V192 HydrophobicContact CG1-CG2 4.36Å; I190-V192 HydrophobicContact CG2-CG2 4.47Å; I190-V192 PolarHBondContact O-N 3.23Å; V192-V194 PolarHBondContact O-N 3.49Å; V192-K196 HydrophobicContact CG1-CB 4.02Å; V192-M197 HydrophobicContact CB-CG 4.31Å; V192-M197 HydrophobicContact CG1-CG 3.67Å
193S66.8Low68Low12 Ų1248.7 Ų48.78%0.08428%0.276CS..  trans-58.1139170.755.20000109.6D195 K196 M197S193-D195 PolarHBondContact O-N 3.29Å; S193-K196 PolarHBondContact O-N 3.31Å; S193-K196 WeakPolarHBondContact OG-CB 3.45Å; S193-K196 WeakPolarHBondContact OG-CD 3.27Å; S193-K196 VanDerWaalsContact OG-CG 3.26Å; S193-K196 WeakPolarHBondContact OG-CG 3.35Å; S193-M197 PolarHBondContact O-N 3.01Å
194V73.1Confident69Low1 Ų151.5 Ų51.51%0.00630%0.301CS..THydrogen-bonded Turntrans-52.6-29.2-178.61760000111.9L185 V192 R260 V263 K264 L276L185-V194 HydrophobicContact CD1-CG2 3.78Å; L185-V194 HydrophobicContact CD2-CG2 3.58Å; L185-V194 HydrophobicContact CG-CG2 4.34Å; V192-V194 PolarHBondContact O-N 3.49Å; V194-R260 HydrophobicContact CG1-CB 4.05Å; V194-R260 HydrophobicContact CG1-CG 4.16Å; V194-R260 PolarHBondContact O-NH1 2.97Å; V194-V263 HydrophobicContact CB-CG1 4.49Å; V194-V263 HydrophobicContact CG1-CB 3.98Å; V194-V263 HydrophobicContact CG1-CG1 3.99Å; V194-V263 HydrophobicContact CG2-CB 4.47Å; V194-V263 HydrophobicContact CG2-CG1 3.59Å; V194-K264 HydrophobicContact CG1-CG 4.23Å; V194-L276 HydrophobicContact CB-CD2 4.31Å; V194-L276 HydrophobicContact CG2-CD2 3.45Å; V194-L276 VanDerWaalsContact CG2-CD2 3.45Å
195D76.5Confident70.2Confident55 Ų5549.1 Ų49.129%0.29428%0.283SS..THydrogen-bonded Turntrans-76.5-16.9178.6-64.9-52.1000115.4S193 R260 K264S193-D195 PolarHBondContact O-N 3.29Å; D195-R260 VanDerWaalsContact C-CZ 3.48Å; D195-R260 PolarHBondContact O-NE 3.32Å; D195-R260 PolarHBondContact O-NH1 3.2Å; D195-R260 PolarHBondContact O-NH2 3.38Å; D195-K264 WeakPolarHBondContact OD1-CE 3.29Å; D195-K264 IonicContact OD1-NZ 2.83Å; D195-K264 PolarHBondContact OD1-NZ 3.03Å; D195-K264 WeakPolarHBondContact OD2-CE 3.38Å; D195-K264 IonicContact OD2-NZ 3.16Å; D195-K264 PolarHBondContact OD2-NZ 3.38Å
196K76.1Confident71.6Confident116 Ų11648.7 Ų48.750%0.50428%0.281SS..THydrogen-bonded Turntrans-98.8-9.2177.6-68.1178.2-172.5164.90113.3V192 S193 Q283V192-K196 HydrophobicContact CG1-CB 4.02Å; S193-K196 PolarHBondContact O-N 3.31Å; S193-K196 WeakPolarHBondContact OG-CB 3.45Å; S193-K196 WeakPolarHBondContact OG-CD 3.27Å; S193-K196 VanDerWaalsContact OG-CG 3.26Å; S193-K196 WeakPolarHBondContact OG-CG 3.35Å; K196-Q283 VanDerWaalsContact NZ-CD 3.29Å; K196-Q283 VanDerWaalsContact NZ-NE2 3.18Å
197M77.8Confident72.8Confident3 Ų348 Ų482%0.01528%0.277CS..  trans-64.5141.7177.6-70.8179.463.300111.8I187 V192 S193 Q201 L202 F205 R260I187-M197 HydrophobicContact CD1-CE 3.93Å; I187-M197 HydrophobicContact CD1-CG 3.76Å; I187-M197 HydrophobicContact CD1-SD 4.24Å; V192-M197 HydrophobicContact CB-CG 4.31Å; V192-M197 HydrophobicContact CG1-CG 3.67Å; S193-M197 PolarHBondContact O-N 3.01Å; M197-Q201 HydrophobicContact CB-CB 4.3Å; M197-Q201 VanDerWaalsContact CE-C 3.48Å; M197-Q201 HydrophobicContact CE-CB 3.92Å; M197-Q201 WeakPolarHBondContact CE-O 3.48Å; M197-L202 HydrophobicContact CB-CD1 4.44Å; M197-L202 HydrophobicContact CB-CD2 3.94Å; M197-L202 HydrophobicContact CB-CG 3.82Å; M197-L202 HydrophobicContact CE-CB 4.47Å; M197-L202 HydrophobicContact CE-CD2 3.75Å; M197-L202 HydrophobicContact CE-CG 4.06Å; M197-L202 HydrophobicContact CG-CD2 4.5Å; M197-L202 HydrophobicContact SD-CD2 3.83Å; M197-F205 HydrophobicContact CE-CB 3.59Å; M197-F205 HydrophobicContact CE-CD1 4.24Å; M197-F205 HydrophobicContact CE-CG 3.95Å; M197-R260 PolarHBondContact O-NH1 3.44Å; M197-R260 PolarHBondContact O-NH2 2.97Å
198T84.6Confident74Confident73 Ų7349.9 Ų49.945%0.44829%0.285SS..  trans-77.9163.2170.670.80000111A200 Q201 L202T198-A200 PolarHBondContact O-N 3.46Å; T198-Q201 WeakPolarHBondContact O-CB 3.28Å; T198-Q201 PolarHBondContact O-N 3.18Å; T198-Q201 VanDerWaalsContact O-N 3.12Å; T198-Q201 VanDerWaalsContact OG1-CG 3.29Å; T198-Q201 WeakPolarHBondContact OG1-CG 3.34Å; T198-Q201 PolarHBondContact OG1-N 3.46Å; T198-Q201 PolarHBondContact OG1-OE1 2.91Å; T198-L202 WeakPolarHBondContact O-CG 3.29Å; T198-L202 PolarHBondContact O-N 3.38Å
199Q83.7Confident75.5Confident68 Ų6843 Ų4332%0.31825%0.249SC..Hα-helixtrans-58.2-36.9177.8-167.5177.6-23.400112.6R203 W255 T256 L259Q199-R203 WeakPolarHBondContact O-CB 3.34Å; Q199-R203 VanDerWaalsContact O-CG 3.25Å; Q199-R203 WeakPolarHBondContact O-CG 3.46Å; Q199-R203 PolarHBondContact O-N 2.89Å; Q199-R203 VanDerWaalsContact O-N 3.11Å; Q199-W255 VanDerWaalsContact NE2-CD1 3.26Å; Q199-T256 PolarHBondContact OE1-OG1 3.26Å; Q199-L259 HydrophobicContact CG-CD1 4.25Å
200A83.4Confident77Confident68 Ų6841.5 Ų41.556%0.56223%0.233SC*.Hα-helixtrans-66.5-42.3175.900000111.7T198 R203 A204T198-A200 PolarHBondContact O-N 3.46Å; A200-R203 PolarHBondContact O-N 2.82Å; A200-A204 PolarHBondContact O-N 3.15Å
201Q83.1Confident78.5Confident62 Ų6242.8 Ų42.829%0.2924%0.235SC..Hα-helixtrans-64.2-43.8177.1-70.8169.4-17.700111.6I187 M197 T198 R203 A204 F205I187-Q201 HydrophobicContact CD1-CB 3.7Å; I187-Q201 VanDerWaalsContact CD1-CD 3.46Å; I187-Q201 HydrophobicContact CD1-CG 3.75Å; I187-Q201 HydrophobicContact CG2-CG 4.45Å; M197-Q201 HydrophobicContact CB-CB 4.3Å; M197-Q201 VanDerWaalsContact CE-C 3.48Å; M197-Q201 HydrophobicContact CE-CB 3.92Å; M197-Q201 WeakPolarHBondContact CE-O 3.48Å; T198-Q201 WeakPolarHBondContact O-CB 3.28Å; T198-Q201 PolarHBondContact O-N 3.18Å; T198-Q201 VanDerWaalsContact O-N 3.12Å; T198-Q201 VanDerWaalsContact OG1-CG 3.29Å; T198-Q201 WeakPolarHBondContact OG1-CG 3.34Å; T198-Q201 PolarHBondContact OG1-N 3.46Å; T198-Q201 PolarHBondContact OG1-OE1 2.91Å; Q201-R203 VanDerWaalsContact C-N 3.32Å; Q201-R203 PolarHBondContact O-N 2.75Å; Q201-A204 PolarHBondContact O-N 2.89Å; Q201-F205 VanDerWaalsContact O-CB 3.28Å; Q201-F205 WeakPolarHBondContact O-CB 3.26Å; Q201-F205 PolarHBondContact O-N 3.44Å
202L87.1Confident79.5Confident0 Ų046 Ų460%024%0.243CC..Hα-helixtrans-61.7-40.3176.4-70.8164.6000111.8M197 T198 A204 F205 I206 T256 L259 R260 V263M197-L202 HydrophobicContact CB-CD1 4.44Å; M197-L202 HydrophobicContact CB-CD2 3.94Å; M197-L202 HydrophobicContact CB-CG 3.82Å; M197-L202 HydrophobicContact CE-CB 4.47Å; M197-L202 HydrophobicContact CE-CD2 3.75Å; M197-L202 HydrophobicContact CE-CG 4.06Å; M197-L202 HydrophobicContact CG-CD2 4.5Å; M197-L202 HydrophobicContact SD-CD2 3.83Å; T198-L202 WeakPolarHBondContact O-CG 3.29Å; T198-L202 PolarHBondContact O-N 3.38Å; L202-A204 VanDerWaalsContact C-N 3.33Å; L202-A204 PolarHBondContact O-N 3.1Å; L202-F205 PolarHBondContact O-N 3.43Å; L202-I206 WeakPolarHBondContact O-CB 3.35Å; L202-I206 WeakPolarHBondContact O-CD1 3.34Å; L202-I206 VanDerWaalsContact O-CG1 3.25Å; L202-I206 WeakPolarHBondContact O-CG1 3.49Å; L202-I206 PolarHBondContact O-N 2.89Å; L202-T256 HydrophobicContact CD1-CG2 3.96Å; L202-L259 HydrophobicContact CB-CB 3.94Å; L202-L259 HydrophobicContact CB-CD1 3.75Å; L202-L259 HydrophobicContact CD1-CB 3.84Å; L202-L259 HydrophobicContact CD1-CD1 4.49Å; L202-L259 HydrophobicContact CG-CB 4.37Å; L202-R260 HydrophobicContact CD1-CG 3.8Å; L202-R260 HydrophobicContact CD2-CG 4.44Å; L202-V263 HydrophobicContact CD2-CG2 4.02Å
203R86.1Confident80.1Confident62 Ų6245.8 Ų45.823%0.23424%0.243CC..Hα-helixtrans-66.1-31.9176.2-75.4174.2170.7144.3-4.7113.8Q199 A200 Q201 P207 V240 R241 L259Q199-R203 WeakPolarHBondContact O-CB 3.34Å; Q199-R203 VanDerWaalsContact O-CG 3.25Å; Q199-R203 WeakPolarHBondContact O-CG 3.46Å; Q199-R203 PolarHBondContact O-N 2.89Å; Q199-R203 VanDerWaalsContact O-N 3.11Å; A200-R203 PolarHBondContact O-N 2.82Å; Q201-R203 VanDerWaalsContact C-N 3.32Å; Q201-R203 PolarHBondContact O-N 2.75Å; R203-P207 WeakPolarHBondContact O-CD 3.18Å; R203-V240 WeakPolarHBondContact CG-O 3.43Å; R203-V240 PolarHBondContact NE-O 2.82Å; R203-R241 PolarHBondContact NE-O 2.94Å; R203-R241 PolarHBondContact NH2-O 3.5Å; R203-L259 HydrophobicContact CG-CD1 3.8Å
204A82.8Confident80.3Confident73 Ų7347.4 Ų47.460%0.60325%0.252SS*.Hα-helixtrans-76.6-37174.400000111.6A200 Q201 L202A200-A204 PolarHBondContact O-N 3.15Å; Q201-A204 PolarHBondContact O-N 2.89Å; L202-A204 VanDerWaalsContact C-N 3.33Å; L202-A204 PolarHBondContact O-N 3.1Å
205F84.6Confident80Confident23 Ų2350.5 Ų50.510%0.10128%0.284CS..Hα-helixtrans-76.6-42.8-174.9-176.7-106.6000113.9P183 L185 M197 Q201 L202 E208 M209 V263 Y267P183-F205 HydrophobicContact CG-CE2 4.24Å; P183-F205 HydrophobicContact CG-CZ 4.27Å; L185-F205 HydrophobicContact CD2-CE1 3.83Å; L185-F205 HydrophobicContact CD2-CZ 3.72Å; M197-F205 HydrophobicContact CE-CB 3.59Å; M197-F205 HydrophobicContact CE-CD1 4.24Å; M197-F205 HydrophobicContact CE-CG 3.95Å; Q201-F205 VanDerWaalsContact O-CB 3.28Å; Q201-F205 WeakPolarHBondContact O-CB 3.26Å; Q201-F205 PolarHBondContact O-N 3.44Å; L202-F205 PolarHBondContact O-N 3.43Å; F205-E208 PolarHBondContact O-N 2.84Å; F205-M209 HydrophobicContact CD1-CB 4.29Å; F205-M209 HydrophobicContact CE1-CB 3.94Å; F205-M209 HydrophobicContact CE1-CG 4.19Å; F205-M209 HydrophobicContact CE1-SD 3.98Å; F205-M209 HydrophobicContact CZ-CB 4.26Å; F205-M209 PolarHBondContact O-N 2.89Å; F205-V263 HydrophobicContact CD1-CG1 4.34Å; F205-V263 HydrophobicContact CD1-CG2 4.07Å; F205-V263 HydrophobicContact CE1-CG1 3.87Å; F205-V263 HydrophobicContact CE1-CG2 4.36Å; F205-Y267 HydrophobicContact CE1-CE2 4.11Å; F205-Y267 HydrophobicContact CZ-CE2 4.18Å; F205-Y267 WeakPolarHBondContact CZ-OH 3.32Å
206I86.5Confident79.4Confident0 Ų054.7 Ų54.70%030%0.296CS..Hα-helixtrans-56.6-43.6-174.9-73.1163.7000113.3L202 E208 M209 L210 W231 V240 L259 I262 V263L202-I206 WeakPolarHBondContact O-CB 3.35Å; L202-I206 WeakPolarHBondContact O-CD1 3.34Å; L202-I206 VanDerWaalsContact O-CG1 3.25Å; L202-I206 WeakPolarHBondContact O-CG1 3.49Å; L202-I206 PolarHBondContact O-N 2.89Å; I206-E208 VanDerWaalsContact C-N 3.33Å; I206-E208 PolarHBondContact O-N 3.29Å; I206-M209 PolarHBondContact O-N 3.03Å; I206-L210 HydrophobicContact CG2-CD1 3.82Å; I206-L210 HydrophobicContact CG2-CG 4.34Å; I206-L210 WeakPolarHBondContact O-CB 3.19Å; I206-L210 WeakPolarHBondContact O-CG 3.37Å; I206-L210 PolarHBondContact O-N 2.96Å; I206-W231 HydrophobicContact CG2-CH2 4.47Å; I206-W231 HydrophobicContact CG2-CZ3 4.38Å; I206-V240 HydrophobicContact CB-CG2 4.38Å; I206-V240 HydrophobicContact CD1-CG1 4.28Å; I206-V240 HydrophobicContact CG2-CG1 4.24Å; I206-V240 HydrophobicContact CG2-CG2 4.16Å; I206-L259 HydrophobicContact CD1-CB 4.06Å; I206-L259 HydrophobicContact CD1-CD2 3.65Å; I206-L259 HydrophobicContact CD1-CG 4.32Å; I206-I262 HydrophobicContact CD1-CB 4.41Å; I206-I262 HydrophobicContact CD1-CG2 4.23Å; I206-I262 HydrophobicContact CG1-CG2 4.36Å; I206-I262 HydrophobicContact CG2-CG2 4.3Å; I206-V263 HydrophobicContact CD1-CG2 4.24Å; I206-V263 HydrophobicContact CG1-CG2 3.74Å
207P83.8Confident78.6Confident46 Ų4652.6 Ų52.630%0.29931%0.307SS..Hα-helixtrans-61-38.5174.7-25.435.4000113.8R203 K211 V240R203-P207 WeakPolarHBondContact O-CD 3.18Å; P207-K211 PolarHBondContact O-N 3.34Å; P207-K211 VanDerWaalsContact O-N 3.12Å; P207-V240 HydrophobicContact CG-CG2 4.48Å
208E79.1Confident78.3Confident72 Ų7261 Ų6134%0.33634%0.343SS..Hα-helixtrans-69.8-47.3177.2-165.263-154.500109.9F205 I206 L210 K211 Y212F205-E208 PolarHBondContact O-N 2.84Å; I206-E208 VanDerWaalsContact C-N 3.33Å; I206-E208 PolarHBondContact O-N 3.29Å; E208-L210 VanDerWaalsContact C-N 3.3Å; E208-L210 PolarHBondContact O-N 2.97Å; E208-K211 WeakPolarHBondContact O-CB 3.48Å; E208-K211 PolarHBondContact O-N 3.5Å; E208-K211 IonicContact OE1-NZ 2.75Å; E208-K211 PolarHBondContact OE1-NZ 2.9Å; E208-K211 IonicContact OE2-NZ 2.82Å; E208-Y212 HydrophobicContact CG-CD2 4.3Å; E208-Y212 HydrophobicContact CG-CE2 3.86Å; E208-Y212 VanDerWaalsContact O-CD2 3.22Å; E208-Y212 WeakPolarHBondContact O-CD2 3.47Å; E208-Y212 PolarHBondContact O-N 3.35Å; E208-Y212 VanDerWaalsContact OE1-CE2 3.26Å; E208-Y212 WeakPolarHBondContact OE1-CE2 3.23Å
209M82.4Confident77.6Confident0 Ų058.7 Ų58.70%033%0.329CS..Hα-helixtrans-54.6-43.8173.6-176-16773.100112.4L182 P183 F205 I206 K211 Y212 S213 W230 I262 V263 C266 Y267L182-M209 HydrophobicContact CD2-CG 4.43Å; P183-M209 HydrophobicContact CG-CB 4.38Å; F205-M209 HydrophobicContact CD1-CB 4.29Å; F205-M209 HydrophobicContact CE1-CB 3.94Å; F205-M209 HydrophobicContact CE1-CG 4.19Å; F205-M209 HydrophobicContact CE1-SD 3.98Å; F205-M209 HydrophobicContact CZ-CB 4.26Å; F205-M209 PolarHBondContact O-N 2.89Å; I206-M209 PolarHBondContact O-N 3.03Å; M209-K211 VanDerWaalsContact C-N 3.33Å; M209-K211 PolarHBondContact O-N 2.67Å; M209-Y212 PolarHBondContact O-N 2.85Å; M209-S213 WeakPolarHBondContact O-CB 3.28Å; M209-S213 PolarHBondContact O-N 2.92Å; M209-W230 HydrophobicContact CE-CH2 3.71Å; M209-W230 HydrophobicContact CE-CZ3 4.1Å; M209-I262 HydrophobicContact CE-CG2 4.25Å; M209-V263 HydrophobicContact SD-CB 4.29Å; M209-V263 HydrophobicContact SD-CG1 4.04Å; M209-V263 HydrophobicContact SD-CG2 4.22Å; M209-C266 HydrophobicContact CE-CB 3.48Å; M209-C266 VanDerWaalsContact CE-CB 3.48Å; M209-C266 HydrophobicContact CG-CB 4.43Å; M209-C266 HydrophobicContact SD-CB 3.51Å; M209-C266 VanDerWaalsContact SD-CB 3.51Å; M209-C266 VanDerWaalsContact SD-SG 3.62Å; M209-Y267 HydrophobicContact CG-CE2 4.26Å; M209-Y267 HydrophobicContact SD-CD2 4.09Å; M209-Y267 HydrophobicContact SD-CE2 3.9Å
210L80.4Confident77.1Confident1 Ų156.7 Ų56.71%0.00533%0.328CS..Hα-helixtrans-63.3-37176.9-82.6168000112.5I206 E208 Y212 S213 T214 P219 W221 P228 W230 W231 W237I206-L210 HydrophobicContact CG2-CD1 3.82Å; I206-L210 HydrophobicContact CG2-CG 4.34Å; I206-L210 WeakPolarHBondContact O-CB 3.19Å; I206-L210 WeakPolarHBondContact O-CG 3.37Å; I206-L210 PolarHBondContact O-N 2.96Å; E208-L210 VanDerWaalsContact C-N 3.3Å; E208-L210 PolarHBondContact O-N 2.97Å; L210-Y212 VanDerWaalsContact C-N 3.33Å; L210-Y212 PolarHBondContact O-N 3.29Å; L210-S213 PolarHBondContact O-N 3.3Å; L210-T214 HydrophobicContact CD2-CG2 4.28Å; L210-T214 WeakPolarHBondContact O-CB 3.33Å; L210-T214 PolarHBondContact O-N 3.41Å; L210-T214 PolarHBondContact O-OG1 3.47Å; L210-P219 HydrophobicContact CD1-CB 4.26Å; L210-P219 HydrophobicContact CD1-CG 4.31Å; L210-W221 HydrophobicContact CD1-CH2 3.63Å; L210-W221 HydrophobicContact CD1-CZ2 4.15Å; L210-W221 HydrophobicContact CD1-CZ3 4.38Å; L210-P228 HydrophobicContact CD2-CG 4Å; L210-W230 HydrophobicContact CD2-CH2 3.47Å; L210-W230 VanDerWaalsContact CD2-CH2 3.47Å; L210-W230 HydrophobicContact CD2-CZ2 3.65Å; L210-W230 HydrophobicContact CG-CH2 4.28Å; L210-W231 HydrophobicContact CD1-CZ3 4.18Å; L210-W231 HydrophobicContact CD2-CZ3 4.48Å; L210-W237 HydrophobicContact CD1-CH2 4.06Å; L210-W237 HydrophobicContact CD1-CZ3 4.33Å; L210-W237 HydrophobicContact CD2-CH2 4.11Å; L210-W237 HydrophobicContact CD2-CZ3 4.39Å
211K78.9Confident77.1Confident94 Ų9456.7 Ų56.741%0.40931%0.313SS..Hα-helixtrans-62.8-39.9176.9173.9-174.4160.6-153.30111.5P207 E208 M209 G215P207-K211 PolarHBondContact O-N 3.34Å; P207-K211 VanDerWaalsContact O-N 3.12Å; E208-K211 WeakPolarHBondContact O-CB 3.48Å; E208-K211 PolarHBondContact O-N 3.5Å; E208-K211 IonicContact OE1-NZ 2.75Å; E208-K211 PolarHBondContact OE1-NZ 2.9Å; E208-K211 IonicContact OE2-NZ 2.82Å; M209-K211 VanDerWaalsContact C-N 3.33Å; M209-K211 PolarHBondContact O-N 2.67Å; K211-G215 WeakPolarHBondContact O-CA 3.39Å; K211-G215 PolarHBondContact O-N 2.97Å
212Y72.8Confident76.7Confident111 Ų11156.9 Ų56.944%0.43533%0.331SS..Hα-helixtrans-74.2-42.7175.2-73.7-86.1000112.7P183 E208 M209 L210P183-Y212 HydrophobicContact CB-CD2 3.83Å; P183-Y212 HydrophobicContact CB-CE2 3.85Å; P183-Y212 HydrophobicContact CB-CG 4.5Å; P183-Y212 HydrophobicContact CG-CD2 3.55Å; P183-Y212 HydrophobicContact CG-CE2 4.06Å; P183-Y212 HydrophobicContact CG-CG 4.17Å; E208-Y212 HydrophobicContact CG-CD2 4.3Å; E208-Y212 HydrophobicContact CG-CE2 3.86Å; E208-Y212 VanDerWaalsContact O-CD2 3.22Å; E208-Y212 WeakPolarHBondContact O-CD2 3.47Å; E208-Y212 PolarHBondContact O-N 3.35Å; E208-Y212 VanDerWaalsContact OE1-CE2 3.26Å; E208-Y212 WeakPolarHBondContact OE1-CE2 3.23Å; M209-Y212 PolarHBondContact O-N 2.85Å; L210-Y212 VanDerWaalsContact C-N 3.33Å; L210-Y212 PolarHBondContact O-N 3.29Å
213S72.4Confident76.3Confident22 Ų2263.2 Ų63.215%0.15436%0.359CS..Hα-helixtrans-67.3-41.3-179.3171.20000113.3M209 L210 W230 H270M209-S213 WeakPolarHBondContact O-CB 3.28Å; M209-S213 PolarHBondContact O-N 2.92Å; L210-S213 PolarHBondContact O-N 3.3Å; S213-W230 PolarHBondContact OG-NE1 2.85Å; S213-H270 WeakPolarHBondContact CB-NE2 3.42Å; S213-H270 PolarHBondContact OG-CE1 2.98Å; S213-H270 PolarHBondContact OG-NE2 3.18Å
214T71.4Confident75.9Confident45 Ų4566.2 Ų66.228%0.27638%0.375SS..Hα-helixtrans-103.9-10.6-173.168.70000113.5L210 R216 P228L210-T214 HydrophobicContact CD2-CG2 4.28Å; L210-T214 WeakPolarHBondContact O-CB 3.33Å; L210-T214 PolarHBondContact O-N 3.41Å; L210-T214 PolarHBondContact O-OG1 3.47Å; T214-R216 PolarHBondContact O-N 2.66Å; T214-R216 PolarHBondContact OG1-N 3.1Å; T214-P228 HydrophobicContact CG2-CB 4.34Å
215G66.4Low75.5Confident66 Ų6667.9 Ų67.968%0.6838%0.383SS*.  trans66.87.8-17500000114.4K211K211-G215 WeakPolarHBondContact O-CA 3.39Å; K211-G215 PolarHBondContact O-N 2.97Å
216R64.1Low75Confident144 Ų14468.3 Ų68.354%0.54339%0.388SS..  trans-100.5126.7-176.1-61.2-175.8-167.2-99.63.4110.7T214 K218T214-R216 PolarHBondContact O-N 2.66Å; T214-R216 PolarHBondContact OG1-N 3.1Å; R216-K218 PolarHBondContact O-N 3.04Å
217G59.2Low74.8Confident71 Ų7170.4 Ų70.473%0.73240%0.397SS*.SBendtrans-67.1-17.817800000114.9
218K71.4Confident74.6Confident179 Ų17968.9 Ų68.978%0.77839%0.388SS*.SBendtrans-128.3128.8172-67.5-176.4-179.3179.70108.9R216 G220R216-K218 PolarHBondContact O-N 3.04Å; K218-G220 PolarHBondContact O-N 3.46Å
219P70.5Confident74.6Confident25 Ų2572.4 Ų72.416%0.16241%0.414CS..  trans-56.6-35.8179.2-28.235.4000113.2L210 W221 W237L210-P219 HydrophobicContact CD1-CB 4.26Å; L210-P219 HydrophobicContact CD1-CG 4.31Å; P219-W221 HydrophobicContact CB-CD2 3.97Å; P219-W221 HydrophobicContact CB-CE3 4.41Å; P219-W221 HydrophobicContact CB-CG 4.46Å; P219-W221 HydrophobicContact CB-CH2 4.29Å; P219-W221 HydrophobicContact CB-CZ2 3.8Å; P219-W221 HydrophobicContact CG-CZ2 3.86Å; P219-W237 HydrophobicContact CB-CH2 4.23Å; P219-W237 HydrophobicContact CB-CZ2 4.16Å; P219-W237 VanDerWaalsContact O-CZ2 3.31Å; P219-W237 WeakPolarHBondContact O-CZ2 3.44Å
220G72.9Confident74.6Confident27 Ų2773.4 Ų73.428%0.27842%0.418SS..  trans73.845.8-17700000112.2K218 K223 W237K218-G220 PolarHBondContact O-N 3.46Å; G220-K223 PolarHBondContact O-N 3.11Å; G220-W237 PolarHBondContact O-NE1 3.4Å
221W83.3Confident74.8Confident68 Ų6873.6 Ų73.626%0.25842%0.418SS..THydrogen-bonded Turntrans-45.8141.5175.7-56.8120.7000112.3L210 P219 K223 W231 W237 A238 N239 V240L210-W221 HydrophobicContact CD1-CH2 3.63Å; L210-W221 HydrophobicContact CD1-CZ2 4.15Å; L210-W221 HydrophobicContact CD1-CZ3 4.38Å; P219-W221 HydrophobicContact CB-CD2 3.97Å; P219-W221 HydrophobicContact CB-CE3 4.41Å; P219-W221 HydrophobicContact CB-CG 4.46Å; P219-W221 HydrophobicContact CB-CH2 4.29Å; P219-W221 HydrophobicContact CB-CZ2 3.8Å; P219-W221 HydrophobicContact CG-CZ2 3.86Å; W221-K223 PolarHBondContact O-N 3.41Å; W221-W231 AromaticContact CH2-CH2 3.86Å; W221-W231 HydrophobicContact CH2-CH2 3.86Å; W221-W231 HydrophobicContact CH2-CZ3 4.4Å; W221-W231 AromaticContact CZ3-CH2 3.67Å; W221-W231 HydrophobicContact CZ3-CH2 3.67Å; W221-W231 HydrophobicContact CZ3-CZ2 4.1Å; W221-W231 HydrophobicContact CZ3-CZ3 4.31Å; W221-W237 AromaticContact CE3-CD2 3.82Å; W221-W237 HydrophobicContact CE3-CD2 3.82Å; W221-W237 AromaticContact CE3-CE2 3.84Å; W221-W237 AromaticContact CE3-CE3 3.88Å; W221-W237 HydrophobicContact CE3-CE3 3.88Å; W221-W237 HydrophobicContact CE3-CH2 4.01Å; W221-W237 AromaticContact CE3-CZ2 3.95Å; W221-W237 HydrophobicContact CE3-CZ2 3.95Å; W221-W237 AromaticContact CE3-CZ3 3.97Å; W221-W237 HydrophobicContact CE3-CZ3 3.97Å; W221-W237 HydrophobicContact CH2-CH2 4.31Å; W221-W237 HydrophobicContact CH2-CZ3 4.18Å; W221-W237 HydrophobicContact CZ3-CD2 4.02Å; W221-W237 AromaticContact CZ3-CE3 3.57Å; W221-W237 HydrophobicContact CZ3-CE3 3.57Å; W221-W237 AromaticContact CZ3-CH2 3.67Å; W221-W237 HydrophobicContact CZ3-CH2 3.67Å; W221-W237 HydrophobicContact CZ3-CZ2 4.11Å; W221-W237 AromaticContact CZ3-CZ3 3.37Å; W221-W237 HydrophobicContact CZ3-CZ3 3.37Å; W221-A238 WeakPolarHBondContact CZ3-O 3.28Å; W221-N239 HydrophobicContact CG-CB 4.33Å; W221-V240 HydrophobicContact CH2-CG1 4.22Å; W221-V240 HydrophobicContact CH2-CG2 4.14Å; W221-V240 HydrophobicContact CZ2-CG2 4.01Å
222G75.4Confident75.1Confident65 Ų6569.5 Ų69.567%0.6740%0.401SS*.THydrogen-bonded Turntrans79.4-8.9179.300000115.6W237G222-W237 WeakPolarHBondContact CA-O 3.45Å; G222-W237 VanDerWaalsContact N-CD1 3.29Å; G222-W237 PolarHBondContact N-O 2.89Å
223K78.9Confident75.4Confident133 Ų13371 Ų7158%0.57842%0.417SS*.  trans-97.2110.2171.5-64.2-175.2-179.7-175.90109.9G220 W221 S225 C226 K227 W237G220-K223 PolarHBondContact O-N 3.11Å; W221-K223 PolarHBondContact O-N 3.41Å; K223-S225 PolarHBondContact O-N 3.18Å; K223-C226 HydrophobicContact CB-CB 4.25Å; K223-C226 WeakPolarHBondContact O-CB 3.5Å; K223-C226 PolarHBondContact O-N 2.88Å; K223-K227 PolarHBondContact O-N 3.39Å; K223-W237 PolarHBondContact O-NE1 3.34Å
224E77.8Confident75.8Confident125 Ų12573.8 Ų73.858%0.58443%0.43SS*.G310 helixtrans-60-29.9-179.3-159.862.8-163.300112.5C226 K227E224-C226 PolarHBondContact O-N 2.74Å; E224-K227 WeakPolarHBondContact O-CB 3.44Å; E224-K227 PolarHBondContact O-N 3.26Å; E224-K227 VanDerWaalsContact O-N 3.1Å; E224-K227 WeakPolarHBondContact OE1-CD 3.4Å; E224-K227 IonicContact OE1-NZ 3.84Å
225S73.9Confident76.4Confident109 Ų10971.7 Ų71.776%0.76242%0.417SS*.G310 helixtrans-67-15.8174.258.20000114.6K223K223-S225 PolarHBondContact O-N 3.18Å
226C73.7Confident77.2Confident31 Ų3171 Ų7121%0.20940%0.4CS..G310 helixtrans-101.4-3.7174.9-63.60000112.5K223 E224 W237K223-C226 HydrophobicContact CB-CB 4.25Å; K223-C226 WeakPolarHBondContact O-CB 3.5Å; K223-C226 PolarHBondContact O-N 2.88Å; E224-C226 PolarHBondContact O-N 2.74Å; C226-W237 WeakPolarHBondContact O-CZ2 3.43Å
227K81.3Confident78.3Confident44 Ų4464.8 Ų64.819%0.19138%0.377CS..SBendtrans-71.4123.6176-177.2-170.6169.8-172.30108.7K223 E224 W231 D233 W237K223-K227 PolarHBondContact O-N 3.39Å; E224-K227 WeakPolarHBondContact O-CB 3.44Å; E224-K227 PolarHBondContact O-N 3.26Å; E224-K227 VanDerWaalsContact O-N 3.1Å; E224-K227 WeakPolarHBondContact OE1-CD 3.4Å; E224-K227 IonicContact OE1-NZ 3.84Å; K227-W231 HydrophobicContact CD-CB 4.42Å; K227-W231 HydrophobicContact CG-CB 3.84Å; K227-W231 HydrophobicContact CG-CG 4.13Å; K227-D233 IonicContact NZ-OD1 2.98Å; K227-D233 PolarHBondContact NZ-OD1 2.94Å; K227-W237 HydrophobicContact CB-CB 4.3Å; K227-W237 HydrophobicContact CB-CD2 4.07Å; K227-W237 HydrophobicContact CB-CE3 4.47Å; K227-W237 HydrophobicContact CB-CG 3.96Å; K227-W237 HydrophobicContact CD-CB 4.31Å; K227-W237 HydrophobicContact CG-CB 4.19Å; K227-W237 HydrophobicContact CG-CD2 4.23Å; K227-W237 HydrophobicContact CG-CE3 4.21Å; K227-W237 HydrophobicContact CG-CG 4.22Å
228P80.6Confident79.5Confident15 Ų1562.4 Ų62.410%0.09735%0.35CS..  trans-70.7149.317624.8-26.5000111L210 T214 W230 W231 W237L210-P228 HydrophobicContact CD2-CG 4Å; T214-P228 HydrophobicContact CG2-CB 4.34Å; P228-W230 HydrophobicContact CB-CD2 4.07Å; P228-W230 HydrophobicContact CB-CG 4.29Å; P228-W230 HydrophobicContact CB-CZ2 3.89Å; P228-W230 HydrophobicContact CG-CD2 4.14Å; P228-W230 HydrophobicContact CG-CE3 4.48Å; P228-W230 HydrophobicContact CG-CH2 3.97Å; P228-W230 HydrophobicContact CG-CZ2 3.6Å; P228-W230 HydrophobicContact CG-CZ3 4.39Å; P228-W230 PolarHBondContact O-N 2.65Å; P228-W230 VanDerWaalsContact O-N 3.15Å; P228-W231 HydrophobicContact CG-CB 4.11Å; P228-W231 HydrophobicContact CG-CE3 4.32Å; P228-W231 WeakPolarHBondContact O-CB 3.37Å; P228-W231 PolarHBondContact O-N 3.26Å; P228-W237 HydrophobicContact CG-CH2 4.45Å; P228-W237 HydrophobicContact CG-CZ3 4.27Å
229V78.1Confident80.1Confident146 Ų14657 Ų5789%0.88533%0.33SS*.THydrogen-bonded Turntrans-63.7-23.5-174.4-149.90000113.3
230W83.8Confident80.8Confident21 Ų2155.9 Ų55.98%0.0832%0.323CS..THydrogen-bonded Turntrans-87.1-4.8177.853.8-98.1000113.6M209 L210 S213 P228 I262 N265 C266 Q269M209-W230 HydrophobicContact CE-CH2 3.71Å; M209-W230 HydrophobicContact CE-CZ3 4.1Å; L210-W230 HydrophobicContact CD2-CH2 3.47Å; L210-W230 VanDerWaalsContact CD2-CH2 3.47Å; L210-W230 HydrophobicContact CD2-CZ2 3.65Å; L210-W230 HydrophobicContact CG-CH2 4.28Å; S213-W230 PolarHBondContact OG-NE1 2.85Å; P228-W230 HydrophobicContact CB-CD2 4.07Å; P228-W230 HydrophobicContact CB-CG 4.29Å; P228-W230 HydrophobicContact CB-CZ2 3.89Å; P228-W230 HydrophobicContact CG-CD2 4.14Å; P228-W230 HydrophobicContact CG-CE3 4.48Å; P228-W230 HydrophobicContact CG-CH2 3.97Å; P228-W230 HydrophobicContact CG-CZ2 3.6Å; P228-W230 HydrophobicContact CG-CZ3 4.39Å; P228-W230 PolarHBondContact O-N 2.65Å; P228-W230 VanDerWaalsContact O-N 3.15Å; W230-I262 HydrophobicContact CZ3-CG2 3.99Å; W230-N265 WeakPolarHBondContact O-CB 3.16Å; W230-C266 HydrophobicContact CD2-CB 4.11Å; W230-C266 HydrophobicContact CE3-CB 3.78Å; W230-C266 HydrophobicContact CH2-CB 3.71Å; W230-C266 HydrophobicContact CZ2-CB 4.01Å; W230-C266 HydrophobicContact CZ3-CB 3.59Å; W230-Q269 HydrophobicContact CB-CB 3.87Å; W230-Q269 HydrophobicContact CB-CG 4Å; W230-Q269 HydrophobicContact CG-CB 4.14Å; W230-Q269 HydrophobicContact CG-CG 4.26Å
231W84.4Confident81.3Confident5 Ų563.6 Ų63.62%0.01934%0.343CS..SBendtrans-65.7131178.6-168.9-88000110.1I206 L210 W221 K227 P228 D233 I235 W237 V240 I262I206-W231 HydrophobicContact CG2-CH2 4.47Å; I206-W231 HydrophobicContact CG2-CZ3 4.38Å; L210-W231 HydrophobicContact CD1-CZ3 4.18Å; L210-W231 HydrophobicContact CD2-CZ3 4.48Å; W221-W231 AromaticContact CH2-CH2 3.86Å; W221-W231 HydrophobicContact CH2-CH2 3.86Å; W221-W231 HydrophobicContact CH2-CZ3 4.4Å; W221-W231 AromaticContact CZ3-CH2 3.67Å; W221-W231 HydrophobicContact CZ3-CH2 3.67Å; W221-W231 HydrophobicContact CZ3-CZ2 4.1Å; W221-W231 HydrophobicContact CZ3-CZ3 4.31Å; K227-W231 HydrophobicContact CD-CB 4.42Å; K227-W231 HydrophobicContact CG-CB 3.84Å; K227-W231 HydrophobicContact CG-CG 4.13Å; P228-W231 HydrophobicContact CG-CB 4.11Å; P228-W231 HydrophobicContact CG-CE3 4.32Å; P228-W231 WeakPolarHBondContact O-CB 3.37Å; P228-W231 PolarHBondContact O-N 3.26Å; W231-D233 PolarHBondContact O-N 3.47Å; W231-I235 HydrophobicContact CZ2-CG2 4.26Å; W231-I235 PolarHBondContact NE1-O 3.12Å; W231-W237 AromaticContact CD2-CE3 3.61Å; W231-W237 HydrophobicContact CD2-CE3 3.61Å; W231-W237 AromaticContact CD2-CZ3 3.73Å; W231-W237 HydrophobicContact CD2-CZ3 3.73Å; W231-W237 AromaticContact CE2-CE3 3.66Å; W231-W237 AromaticContact CE3-CE3 3.86Å; W231-W237 HydrophobicContact CE3-CE3 3.86Å; W231-W237 AromaticContact CE3-CZ3 3.44Å; W231-W237 HydrophobicContact CE3-CZ3 3.44Å; W231-W237 VanDerWaalsContact CE3-CZ3 3.44Å; W231-W237 HydrophobicContact CG-CE3 4.11Å; W231-W237 HydrophobicContact CG-CZ3 4.47Å; W231-W237 HydrophobicContact CH2-CE3 4.09Å; W231-W237 AromaticContact CH2-CZ3 3.85Å; W231-W237 HydrophobicContact CH2-CZ3 3.85Å; W231-W237 AromaticContact CZ2-CE3 3.9Å; W231-W237 HydrophobicContact CZ2-CE3 3.9Å; W231-W237 HydrophobicContact CZ2-CZ3 4.15Å; W231-W237 HydrophobicContact CZ3-CE3 4.09Å; W231-W237 AromaticContact CZ3-CZ3 3.51Å; W231-W237 HydrophobicContact CZ3-CZ3 3.51Å; W231-V240 HydrophobicContact CH2-CG1 3.99Å; W231-V240 HydrophobicContact CZ2-CG1 4.48Å; W231-I262 HydrophobicContact CE3-CG2 3.88Å; W231-I262 HydrophobicContact CH2-CD1 3.63Å; W231-I262 HydrophobicContact CH2-CG1 4.29Å; W231-I262 HydrophobicContact CH2-CG2 3.97Å; W231-I262 HydrophobicContact CZ2-CD1 3.64Å; W231-I262 HydrophobicContact CZ2-CG1 4.34Å; W231-I262 HydrophobicContact CZ3-CD1 4.2Å; W231-I262 HydrophobicContact CZ3-CG1 4.4Å; W231-I262 HydrophobicContact CZ3-CG2 3.45Å; W231-I262 VanDerWaalsContact CZ3-CG2 3.45Å
232P85.8Confident81.1Confident7 Ų763 Ų635%0.04535%0.35CS..  trans-59132.1-178.3-21.632.4000112.3D234 I235 T261 I262P232-D234 WeakPolarHBondContact CB-OD1 3.47Å; P232-D234 PolarHBondContact O-N 3.4Å; P232-I235 HydrophobicContact CB-CB 4.4Å; P232-I235 HydrophobicContact CB-CD1 3.93Å; P232-I235 HydrophobicContact CB-CG1 4.09Å; P232-I235 HydrophobicContact CG-CD1 3.9Å; P232-I235 PolarHBondContact O-N 3.4Å; P232-I235 VanDerWaalsContact O-N 3.15Å; P232-I235 VanDerWaalsContact O-O 3.12Å; P232-T261 HydrophobicContact CG-CG2 4.18Å; P232-I262 HydrophobicContact CG-CG1 3.94Å
233D79.3Confident81.4Confident143 Ų14361.9 Ų61.977%0.76533%0.328SS*.THydrogen-bonded Turntrans-71.5-20.6-177.6-69.3-41.3000113.6K227 W231 I235K227-D233 IonicContact NZ-OD1 2.98Å; K227-D233 PolarHBondContact NZ-OD1 2.94Å; W231-D233 PolarHBondContact O-N 3.47Å; D233-I235 VanDerWaalsContact C-N 3.25Å
234D79.4Confident81.5Confident81 Ų8159.5 Ų59.543%0.43333%0.325SS..THydrogen-bonded Turntrans-76.9-11.6173.663.5-46000113P232P232-D234 WeakPolarHBondContact CB-OD1 3.47Å; P232-D234 PolarHBondContact O-N 3.4Å
235I83.7Confident81.7Confident1 Ų154.1 Ų54.11%0.00530%0.299CS..SBendtrans-111.9119.2180-54.6172.9000110.1W231 P232 D233 W255 A258 I262W231-I235 HydrophobicContact CZ2-CG2 4.26Å; W231-I235 PolarHBondContact NE1-O 3.12Å; P232-I235 HydrophobicContact CB-CB 4.4Å; P232-I235 HydrophobicContact CB-CD1 3.93Å; P232-I235 HydrophobicContact CB-CG1 4.09Å; P232-I235 HydrophobicContact CG-CD1 3.9Å; P232-I235 PolarHBondContact O-N 3.4Å; P232-I235 VanDerWaalsContact O-N 3.15Å; P232-I235 VanDerWaalsContact O-O 3.12Å; D233-I235 VanDerWaalsContact C-N 3.25Å; I235-W255 HydrophobicContact CG2-CH2 4.28Å; I235-W255 HydrophobicContact CG2-CZ3 4.15Å; I235-A258 HydrophobicContact CD1-CB 3.72Å; I235-A258 WeakPolarHBondContact CD1-O 3.49Å; I235-A258 HydrophobicContact CG1-CB 4.29Å; I235-I262 HydrophobicContact CD1-CD1 3.74Å; I235-I262 HydrophobicContact CD1-CG1 3.63Å; I235-I262 HydrophobicContact CG2-CD1 4.18Å
236P84.5Confident82Confident50 Ų5052.6 Ų52.633%0.32529%0.285SS..  trans-62.3143.1178.325.7-33.3000111.2A238 V244 R245P236-A238 VanDerWaalsContact C-N 3.25Å; P236-A238 PolarHBondContact O-N 3.12Å; P236-V244 HydrophobicContact CB-CG2 4.26Å; P236-V244 HydrophobicContact CG-CG2 3.65Å; P236-R245 HydrophobicContact CG-CG 3.97Å
237W87.2Confident82Confident15 Ų1556.5 Ų56.56%0.05730%0.301CS..SBendtrans-72.779176.6180-118.4000111.2L210 P219 G220 W221 G222 K223 C226 K227 P228 W231L210-W237 HydrophobicContact CD1-CH2 4.06Å; L210-W237 HydrophobicContact CD1-CZ3 4.33Å; L210-W237 HydrophobicContact CD2-CH2 4.11Å; L210-W237 HydrophobicContact CD2-CZ3 4.39Å; P219-W237 HydrophobicContact CB-CH2 4.23Å; P219-W237 HydrophobicContact CB-CZ2 4.16Å; P219-W237 VanDerWaalsContact O-CZ2 3.31Å; P219-W237 WeakPolarHBondContact O-CZ2 3.44Å; G220-W237 PolarHBondContact O-NE1 3.4Å; W221-W237 AromaticContact CE3-CD2 3.82Å; W221-W237 HydrophobicContact CE3-CD2 3.82Å; W221-W237 AromaticContact CE3-CE2 3.84Å; W221-W237 AromaticContact CE3-CE3 3.88Å; W221-W237 HydrophobicContact CE3-CE3 3.88Å; W221-W237 HydrophobicContact CE3-CH2 4.01Å; W221-W237 AromaticContact CE3-CZ2 3.95Å; W221-W237 HydrophobicContact CE3-CZ2 3.95Å; W221-W237 AromaticContact CE3-CZ3 3.97Å; W221-W237 HydrophobicContact CE3-CZ3 3.97Å; W221-W237 HydrophobicContact CH2-CH2 4.31Å; W221-W237 HydrophobicContact CH2-CZ3 4.18Å; W221-W237 HydrophobicContact CZ3-CD2 4.02Å; W221-W237 AromaticContact CZ3-CE3 3.57Å; W221-W237 HydrophobicContact CZ3-CE3 3.57Å; W221-W237 AromaticContact CZ3-CH2 3.67Å; W221-W237 HydrophobicContact CZ3-CH2 3.67Å; W221-W237 HydrophobicContact CZ3-CZ2 4.11Å; W221-W237 AromaticContact CZ3-CZ3 3.37Å; W221-W237 HydrophobicContact CZ3-CZ3 3.37Å; G222-W237 WeakPolarHBondContact CA-O 3.45Å; G222-W237 VanDerWaalsContact N-CD1 3.29Å; G222-W237 PolarHBondContact N-O 2.89Å; K223-W237 PolarHBondContact O-NE1 3.34Å; C226-W237 WeakPolarHBondContact O-CZ2 3.43Å; K227-W237 HydrophobicContact CB-CB 4.3Å; K227-W237 HydrophobicContact CB-CD2 4.07Å; K227-W237 HydrophobicContact CB-CE3 4.47Å; K227-W237 HydrophobicContact CB-CG 3.96Å; K227-W237 HydrophobicContact CD-CB 4.31Å; K227-W237 HydrophobicContact CG-CB 4.19Å; K227-W237 HydrophobicContact CG-CD2 4.23Å; K227-W237 HydrophobicContact CG-CE3 4.21Å; K227-W237 HydrophobicContact CG-CG 4.22Å; P228-W237 HydrophobicContact CG-CH2 4.45Å; P228-W237 HydrophobicContact CG-CZ3 4.27Å; W231-W237 AromaticContact CD2-CE3 3.61Å; W231-W237 HydrophobicContact CD2-CE3 3.61Å; W231-W237 AromaticContact CD2-CZ3 3.73Å; W231-W237 HydrophobicContact CD2-CZ3 3.73Å; W231-W237 AromaticContact CE2-CE3 3.66Å; W231-W237 AromaticContact CE3-CE3 3.86Å; W231-W237 HydrophobicContact CE3-CE3 3.86Å; W231-W237 AromaticContact CE3-CZ3 3.44Å; W231-W237 HydrophobicContact CE3-CZ3 3.44Å; W231-W237 VanDerWaalsContact CE3-CZ3 3.44Å; W231-W237 HydrophobicContact CG-CE3 4.11Å; W231-W237 HydrophobicContact CG-CZ3 4.47Å; W231-W237 HydrophobicContact CH2-CE3 4.09Å; W231-W237 AromaticContact CH2-CZ3 3.85Å; W231-W237 HydrophobicContact CH2-CZ3 3.85Å; W231-W237 AromaticContact CZ2-CE3 3.9Å; W231-W237 HydrophobicContact CZ2-CE3 3.9Å; W231-W237 HydrophobicContact CZ2-CZ3 4.15Å; W231-W237 HydrophobicContact CZ3-CE3 4.09Å; W231-W237 AromaticContact CZ3-CZ3 3.51Å; W231-W237 HydrophobicContact CZ3-CZ3 3.51Å
238A84.9Confident81.9Confident21 Ų2161 Ų6117%0.17432%0.322CS..SBendtrans-140.1167.5-174.200000111.5W221 P236 V240 V244W221-A238 WeakPolarHBondContact CZ3-O 3.28Å; P236-A238 VanDerWaalsContact C-N 3.25Å; P236-A238 PolarHBondContact O-N 3.12Å; A238-V240 PolarHBondContact O-N 2.69Å; A238-V244 HydrophobicContact CB-CG2 3.4Å; A238-V244 VanDerWaalsContact CB-CG2 3.4Å
239N83.9Confident81.8Confident66 Ų6663.6 Ų63.635%0.35333%0.333SS..  trans-59115.2-178.3-174.5-14.3000111W221 R241 S242W221-N239 HydrophobicContact CG-CB 4.33Å; N239-R241 PolarHBondContact O-N 2.91Å; N239-R241 WeakPolarHBondContact OD1-CB 3.4Å; N239-R241 WeakPolarHBondContact OD1-CG 3.49Å; N239-R241 PolarHBondContact OD1-N 3.39Å; N239-R241 VanDerWaalsContact OD1-N 3.07Å; N239-S242 PolarHBondContact O-N 3.42Å; N239-S242 PolarHBondContact O-OG 2.63Å; N239-S242 VanDerWaalsContact O-OG 3.11Å
240V85.3Confident82Confident1 Ų160.1 Ų60.11%0.00631%0.306CS..THydrogen-bonded Turntrans-59.7-11.8-178-81.20000115R203 I206 P207 W221 W231 A238 S242 W255 L259 I262R203-V240 WeakPolarHBondContact CG-O 3.43Å; R203-V240 PolarHBondContact NE-O 2.82Å; I206-V240 HydrophobicContact CB-CG2 4.38Å; I206-V240 HydrophobicContact CD1-CG1 4.28Å; I206-V240 HydrophobicContact CG2-CG1 4.24Å; I206-V240 HydrophobicContact CG2-CG2 4.16Å; P207-V240 HydrophobicContact CG-CG2 4.48Å; W221-V240 HydrophobicContact CH2-CG1 4.22Å; W221-V240 HydrophobicContact CH2-CG2 4.14Å; W221-V240 HydrophobicContact CZ2-CG2 4.01Å; W231-V240 HydrophobicContact CH2-CG1 3.99Å; W231-V240 HydrophobicContact CZ2-CG1 4.48Å; A238-V240 PolarHBondContact O-N 2.69Å; V240-S242 VanDerWaalsContact C-N 3.29Å; V240-W255 HydrophobicContact CB-CZ2 4.21Å; V240-W255 HydrophobicContact CG1-CH2 4.46Å; V240-W255 HydrophobicContact CG1-CZ2 4.19Å; V240-W255 VanDerWaalsContact O-CZ2 3.32Å; V240-W255 WeakPolarHBondContact O-CZ2 3.32Å; V240-W255 PolarHBondContact O-NE1 3.45Å; V240-L259 HydrophobicContact CB-CD2 3.96Å; V240-L259 HydrophobicContact CG1-CD2 3.66Å; V240-I262 HydrophobicContact CG1-CD1 4.34Å
241R81.4Confident81.7Confident188 Ų18866.7 Ų66.771%0.70934%0.338SS*.THydrogen-bonded Turntrans-67.1-29.9171.3-65.6-177.2-179.7-165.5-1.2112.7R203 N239R203-R241 PolarHBondContact NE-O 2.94Å; R203-R241 PolarHBondContact NH2-O 3.5Å; N239-R241 PolarHBondContact O-N 2.91Å; N239-R241 WeakPolarHBondContact OD1-CB 3.4Å; N239-R241 WeakPolarHBondContact OD1-CG 3.49Å; N239-R241 PolarHBondContact OD1-N 3.39Å; N239-R241 VanDerWaalsContact OD1-N 3.07Å
242S79.1Confident81.7Confident57 Ų5776 Ų7640%0.39937%0.373SS..SBendtrans-118.5124.1-179.2510000110.7N239 V240 V244N239-S242 PolarHBondContact O-N 3.42Å; N239-S242 PolarHBondContact O-OG 2.63Å; N239-S242 VanDerWaalsContact O-OG 3.11Å; V240-S242 VanDerWaalsContact C-N 3.29Å; S242-V244 PolarHBondContact O-N 3.42Å
243D82.9Confident81.5Confident41 Ų4177.9 Ų77.922%0.21938%0.384CS..  trans-79.4100.5172.7-170.1-7000109.3R245 W255D243-R245 WeakPolarHBondContact OD1-CB 3.26Å; D243-R245 VanDerWaalsContact OD1-CG 3.26Å; D243-R245 WeakPolarHBondContact OD1-CG 3.22Å; D243-R245 IonicContact OD1-CZ 2.65Å; D243-R245 PolarHBondContact OD1-N 3.07Å; D243-R245 VanDerWaalsContact OD1-N 3.12Å; D243-R245 IonicContact OD1-NE 3.18Å; D243-R245 PolarHBondContact OD1-NE 3.3Å; D243-R245 IonicContact OD1-NH2 3Å; D243-R245 IonicContact OD2-CZ 2.85Å; D243-R245 IonicContact OD2-NE 2.67Å; D243-R245 PolarHBondContact OD2-NE 3.01Å; D243-R245 IonicContact OD2-NH2 2.85Å; D243-R245 PolarHBondContact OD2-NH2 2.83Å; D243-W255 HydrophobicContact CB-CD2 3.74Å; D243-W255 HydrophobicContact CB-CE3 3.9Å; D243-W255 HydrophobicContact CB-CG 4.06Å; D243-W255 HydrophobicContact CB-CZ3 4.45Å
244V81.3Confident82Confident83 Ų8374.6 Ų74.650%0.50337%0.372SS..  trans-95.111.4-180-60.10000112.8P236 A238 S242P236-V244 HydrophobicContact CB-CG2 4.26Å; P236-V244 HydrophobicContact CG-CG2 3.65Å; A238-V244 HydrophobicContact CB-CG2 3.4Å; A238-V244 VanDerWaalsContact CB-CG2 3.4Å; S242-V244 PolarHBondContact O-N 3.42Å
245R81.3Confident82.3Confident11 Ų1171.8 Ų71.84%0.04236%0.355CS..SBendtrans-66.6156.7175-65.2179-60.4153.89.5110.8P236 D243 Q249 K250 V253P236-R245 HydrophobicContact CG-CG 3.97Å; D243-R245 WeakPolarHBondContact OD1-CB 3.26Å; D243-R245 VanDerWaalsContact OD1-CG 3.26Å; D243-R245 WeakPolarHBondContact OD1-CG 3.22Å; D243-R245 IonicContact OD1-CZ 2.65Å; D243-R245 PolarHBondContact OD1-N 3.07Å; D243-R245 VanDerWaalsContact OD1-N 3.12Å; D243-R245 IonicContact OD1-NE 3.18Å; D243-R245 PolarHBondContact OD1-NE 3.3Å; D243-R245 IonicContact OD1-NH2 3Å; D243-R245 IonicContact OD2-CZ 2.85Å; D243-R245 IonicContact OD2-NE 2.67Å; D243-R245 PolarHBondContact OD2-NE 3.01Å; D243-R245 IonicContact OD2-NH2 2.85Å; D243-R245 PolarHBondContact OD2-NH2 2.83Å; R245-Q249 HydrophobicContact CB-CB 3.99Å; R245-K250 HydrophobicContact CB-CG 4.28Å; R245-K250 WeakPolarHBondContact O-CE 3.34Å; R245-V253 PolarHBondContact NH1-O 2.58Å; R245-V253 PolarHBondContact NH2-O 3.45Å
246T80.9Confident82.5Confident78 Ų7873.1 Ų73.148%0.47936%0.364SS..  trans-67.7156.5173.156.40000110.9E248 Q249 K250T246-E248 PolarHBondContact O-N 3.19Å; T246-Q249 WeakPolarHBondContact O-CB 3.49Å; T246-Q249 PolarHBondContact O-N 3Å; T246-Q249 VanDerWaalsContact OG1-CD 3.25Å; T246-Q249 VanDerWaalsContact OG1-CG 3.32Å; T246-Q249 WeakPolarHBondContact OG1-CG 3.46Å; T246-Q249 PolarHBondContact OG1-OE1 2.71Å; T246-K250 WeakPolarHBondContact O-CG 3.5Å; T246-K250 PolarHBondContact O-N 3.07Å
247E73.4Confident82.5Confident113 Ų11374.9 Ų74.953%0.52837%0.368SS..Hα-helixtrans-60.3-34-176.8-157.356.7-141.200112.4Q249 K250 Q251E247-Q249 PolarHBondContact O-N 3.15Å; E247-K250 PolarHBondContact O-N 3.45Å; E247-K250 WeakPolarHBondContact OE2-CD 3.15Å; E247-K250 IonicContact OE2-NZ 2.97Å; E247-K250 PolarHBondContact OE2-NZ 2.95Å; E247-Q251 WeakPolarHBondContact O-CG 2.98Å; E247-Q251 PolarHBondContact O-N 3.04Å
248E78.8Confident82.5Confident137 Ų13774.1 Ų74.164%0.6437%0.365SS*.Hα-helixtrans-63.5-37.6174-62.1174.9-170.900112.7T246 R252T246-E248 PolarHBondContact O-N 3.19Å; E248-R252 WeakPolarHBondContact O-CG 3.49Å; E248-R252 PolarHBondContact O-N 3.31Å
249Q77.6Confident82.7Confident71 Ų7173.1 Ų73.133%0.33236%0.357SS..Hα-helixtrans-74.7-34.6176.4-72.5169-36.800112R245 T246 E247 Q251 R252 V253R245-Q249 HydrophobicContact CB-CB 3.99Å; T246-Q249 WeakPolarHBondContact O-CB 3.49Å; T246-Q249 PolarHBondContact O-N 3Å; T246-Q249 VanDerWaalsContact OG1-CD 3.25Å; T246-Q249 VanDerWaalsContact OG1-CG 3.32Å; T246-Q249 WeakPolarHBondContact OG1-CG 3.46Å; T246-Q249 PolarHBondContact OG1-OE1 2.71Å; E247-Q249 PolarHBondContact O-N 3.15Å; Q249-Q251 VanDerWaalsContact C-N 3.34Å; Q249-R252 PolarHBondContact O-N 3.11Å; Q249-V253 PolarHBondContact O-N 2.93Å
250K82.8Confident82.9Confident73 Ų7371.5 Ų71.532%0.31735%0.346SS..Hα-helixtrans-64.8-38.3175.1-68.3175.8-170.3160.50112R245 T246 E247 R252 V253R245-K250 HydrophobicContact CB-CG 4.28Å; R245-K250 WeakPolarHBondContact O-CE 3.34Å; T246-K250 WeakPolarHBondContact O-CG 3.5Å; T246-K250 PolarHBondContact O-N 3.07Å; E247-K250 PolarHBondContact O-N 3.45Å; E247-K250 WeakPolarHBondContact OE2-CD 3.15Å; E247-K250 IonicContact OE2-NZ 2.97Å; E247-K250 PolarHBondContact OE2-NZ 2.95Å; K250-R252 VanDerWaalsContact C-N 3.29Å; K250-R252 PolarHBondContact O-N 3.27Å; K250-V253 CarbonylContact O-C 3.54Å
251Q77.5Confident82.9Confident159 Ų15973.6 Ų73.674%0.74336%0.358SS*.Hα-helixtrans-66.8-28.8176.3-74.4174.711.200112.9E247 Q249E247-Q251 WeakPolarHBondContact O-CG 2.98Å; E247-Q251 PolarHBondContact O-N 3.04Å; Q249-Q251 VanDerWaalsContact C-N 3.34Å
252R84.3Confident83.3Confident201 Ų20164.7 Ų64.776%0.75833%0.325SS*.Hα-helixtrans-74.8-43177.6-70.6178.2-171.6-179.24.5113E248 Q249 K250E248-R252 WeakPolarHBondContact O-CG 3.49Å; E248-R252 PolarHBondContact O-N 3.31Å; Q249-R252 PolarHBondContact O-N 3.11Å; K250-R252 VanDerWaalsContact C-N 3.29Å; K250-R252 PolarHBondContact O-N 3.27Å
253V82.9Confident83.6Confident45 Ų4562 Ų6227%0.27331%0.306SS..SBendtrans-142.4122.2-174.3-177.20000109.9R245 Q249 K250 Q257 A258R245-V253 PolarHBondContact NH1-O 2.58Å; R245-V253 PolarHBondContact NH2-O 3.45Å; Q249-V253 PolarHBondContact O-N 2.93Å; K250-V253 CarbonylContact O-C 3.54Å; V253-Q257 HydrophobicContact CG1-CB 3.66Å; V253-Q257 HydrophobicContact CG1-CG 3.77Å; V253-A258 HydrophobicContact CG1-CB 4.21Å
254S88.1Confident83.7Confident74 Ų7462.9 Ų62.952%0.51731%0.308SS..  trans-57.9148.4174.7750000111T256 Q257 A258S254-T256 VanDerWaalsContact C-N 3.26Å; S254-T256 PolarHBondContact O-N 3.31Å; S254-Q257 PolarHBondContact O-N 3.21Å; S254-Q257 WeakPolarHBondContact OG-CB 3.43Å; S254-Q257 PolarHBondContact OG-N 3.35Å; S254-A258 PolarHBondContact O-N 3.42Å
255W86.9Confident83.9Confident22 Ų2261.5 Ų61.58%0.08330%0.298CS..Hα-helixtrans-58.1-40.3-177.3-175.2-113.7000112.6Q199 I235 V240 D243 Q257 A258 L259Q199-W255 VanDerWaalsContact NE2-CD1 3.26Å; I235-W255 HydrophobicContact CG2-CH2 4.28Å; I235-W255 HydrophobicContact CG2-CZ3 4.15Å; V240-W255 HydrophobicContact CB-CZ2 4.21Å; V240-W255 HydrophobicContact CG1-CH2 4.46Å; V240-W255 HydrophobicContact CG1-CZ2 4.19Å; V240-W255 VanDerWaalsContact O-CZ2 3.32Å; V240-W255 WeakPolarHBondContact O-CZ2 3.32Å; V240-W255 PolarHBondContact O-NE1 3.45Å; D243-W255 HydrophobicContact CB-CD2 3.74Å; D243-W255 HydrophobicContact CB-CE3 3.9Å; D243-W255 HydrophobicContact CB-CG 4.06Å; D243-W255 HydrophobicContact CB-CZ3 4.45Å; W255-Q257 VanDerWaalsContact C-N 3.3Å; W255-Q257 PolarHBondContact O-N 3.45Å; W255-A258 HydrophobicContact CE3-CB 4.08Å; W255-A258 HydrophobicContact CZ3-CB 4.32Å; W255-A258 WeakPolarHBondContact O-CB 3.25Å; W255-A258 PolarHBondContact O-N 3.04Å; W255-L259 HydrophobicContact CD2-CD2 4.36Å; W255-L259 HydrophobicContact CD2-CG 4.23Å; W255-L259 HydrophobicContact CG-CG 4.46Å; W255-L259 HydrophobicContact CH2-CD2 3.92Å; W255-L259 HydrophobicContact CZ2-CD2 3.38Å; W255-L259 HydrophobicContact CZ2-CG 4.1Å; W255-L259 WeakPolarHBondContact O-CG 3.28Å; W255-L259 PolarHBondContact O-N 3Å
256T86.8Confident84.1Confident30 Ų3061 Ų6118%0.18430%0.296CS..Hα-helixtrans-57.4-44175.4-52.60000111.6Q199 L202 S254 L259 R260Q199-T256 PolarHBondContact OE1-OG1 3.26Å; L202-T256 HydrophobicContact CD1-CG2 3.96Å; S254-T256 VanDerWaalsContact C-N 3.26Å; S254-T256 PolarHBondContact O-N 3.31Å; T256-L259 PolarHBondContact O-N 3.24Å; T256-R260 WeakPolarHBondContact O-CG 3.45Å; T256-R260 PolarHBondContact O-N 3.21Å
257Q85.3Confident84Confident86 Ų8657.3 Ų57.340%0.40227%0.273SS..Hα-helixtrans-67.2-40.8178.9-172.26610.100111.8V253 S254 W255 L259 R260 T261V253-Q257 HydrophobicContact CG1-CB 3.66Å; V253-Q257 HydrophobicContact CG1-CG 3.77Å; S254-Q257 PolarHBondContact O-N 3.21Å; S254-Q257 WeakPolarHBondContact OG-CB 3.43Å; S254-Q257 PolarHBondContact OG-N 3.35Å; W255-Q257 VanDerWaalsContact C-N 3.3Å; W255-Q257 PolarHBondContact O-N 3.45Å; Q257-L259 VanDerWaalsContact C-N 3.32Å; Q257-L259 PolarHBondContact O-N 3.13Å; Q257-R260 PolarHBondContact O-N 2.86Å; Q257-T261 PolarHBondContact O-N 3.33Å; Q257-T261 PolarHBondContact O-OG1 3.46Å; Q257-T261 VanDerWaalsContact O-OG1 3.07Å
258A87.1Confident84.4Confident0 Ų057.9 Ų57.90%027%0.274CS..Hα-helixtrans-59.9-42.7174.300000111.7I235 V253 S254 W255 T261 I262I235-A258 HydrophobicContact CD1-CB 3.72Å; I235-A258 WeakPolarHBondContact CD1-O 3.49Å; I235-A258 HydrophobicContact CG1-CB 4.29Å; V253-A258 HydrophobicContact CG1-CB 4.21Å; S254-A258 PolarHBondContact O-N 3.42Å; W255-A258 HydrophobicContact CE3-CB 4.08Å; W255-A258 HydrophobicContact CZ3-CB 4.32Å; W255-A258 WeakPolarHBondContact O-CB 3.25Å; W255-A258 PolarHBondContact O-N 3.04Å; A258-T261 WeakPolarHBondContact O-CB 3.49Å; A258-T261 PolarHBondContact O-N 2.92Å; A258-I262 WeakPolarHBondContact O-CG1 3.5Å; A258-I262 PolarHBondContact O-N 3.32Å; A258-I262 VanDerWaalsContact O-N 3.13Å
259L88.5Confident84.3Confident0 Ų056.3 Ų56.30%027%0.266CS..Hα-helixtrans-64.4-39.2174.9-67.6-173.6000112.9Q199 L202 R203 I206 V240 W255 T256 Q257 T261 I262 V263Q199-L259 HydrophobicContact CG-CD1 4.25Å; L202-L259 HydrophobicContact CB-CB 3.94Å; L202-L259 HydrophobicContact CB-CD1 3.75Å; L202-L259 HydrophobicContact CD1-CB 3.84Å; L202-L259 HydrophobicContact CD1-CD1 4.49Å; L202-L259 HydrophobicContact CG-CB 4.37Å; R203-L259 HydrophobicContact CG-CD1 3.8Å; I206-L259 HydrophobicContact CD1-CB 4.06Å; I206-L259 HydrophobicContact CD1-CD2 3.65Å; I206-L259 HydrophobicContact CD1-CG 4.32Å; V240-L259 HydrophobicContact CB-CD2 3.96Å; V240-L259 HydrophobicContact CG1-CD2 3.66Å; W255-L259 HydrophobicContact CD2-CD2 4.36Å; W255-L259 HydrophobicContact CD2-CG 4.23Å; W255-L259 HydrophobicContact CG-CG 4.46Å; W255-L259 HydrophobicContact CH2-CD2 3.92Å; W255-L259 HydrophobicContact CZ2-CD2 3.38Å; W255-L259 HydrophobicContact CZ2-CG 4.1Å; W255-L259 WeakPolarHBondContact O-CG 3.28Å; W255-L259 PolarHBondContact O-N 3Å; T256-L259 PolarHBondContact O-N 3.24Å; Q257-L259 VanDerWaalsContact C-N 3.32Å; Q257-L259 PolarHBondContact O-N 3.13Å; L259-T261 VanDerWaalsContact C-N 3.33Å; L259-I262 HydrophobicContact CD2-CD1 4.12Å; L259-I262 WeakPolarHBondContact O-CB 3.25Å; L259-I262 PolarHBondContact O-N 2.9Å; L259-V263 PolarHBondContact O-N 3.45Å
260R88.3Confident84.1Confident32 Ų3254.9 Ų54.912%0.12126%0.26CS..Hα-helixtrans-61.7-42.3174.2-69.7-177.1-163-47.9-0.2111.2V194 D195 M197 L202 T256 Q257 I262 V263 K264V194-R260 HydrophobicContact CG1-CB 4.05Å; V194-R260 HydrophobicContact CG1-CG 4.16Å; V194-R260 PolarHBondContact O-NH1 2.97Å; D195-R260 VanDerWaalsContact C-CZ 3.48Å; D195-R260 PolarHBondContact O-NE 3.32Å; D195-R260 PolarHBondContact O-NH1 3.2Å; D195-R260 PolarHBondContact O-NH2 3.38Å; M197-R260 PolarHBondContact O-NH1 3.44Å; M197-R260 PolarHBondContact O-NH2 2.97Å; L202-R260 HydrophobicContact CD1-CG 3.8Å; L202-R260 HydrophobicContact CD2-CG 4.44Å; T256-R260 WeakPolarHBondContact O-CG 3.45Å; T256-R260 PolarHBondContact O-N 3.21Å; Q257-R260 PolarHBondContact O-N 2.86Å; R260-I262 VanDerWaalsContact C-N 3.34Å; R260-I262 PolarHBondContact O-N 3.46Å; R260-V263 PolarHBondContact O-N 3.3Å; R260-K264 WeakPolarHBondContact O-CG 3.46Å; R260-K264 PolarHBondContact O-N 2.89Å
261T86.8Confident83.4Confident45 Ų4554.2 Ų54.228%0.27627%0.273SS..Hα-helixtrans-60.6-41.2177-55.20000112.1P232 Q257 A258 L259 V263 K264 N265P232-T261 HydrophobicContact CG-CG2 4.18Å; Q257-T261 PolarHBondContact O-N 3.33Å; Q257-T261 PolarHBondContact O-OG1 3.46Å; Q257-T261 VanDerWaalsContact O-OG1 3.07Å; A258-T261 WeakPolarHBondContact O-CB 3.49Å; A258-T261 PolarHBondContact O-N 2.92Å; L259-T261 VanDerWaalsContact C-N 3.33Å; T261-V263 VanDerWaalsContact C-N 3.33Å; T261-V263 PolarHBondContact O-N 2.98Å; T261-K264 PolarHBondContact O-N 3.28Å; T261-N265 WeakPolarHBondContact O-CB 3.21Å; T261-N265 PolarHBondContact O-N 3.26Å
262I88.7Confident82.9Confident0 Ų050.2 Ų50.20%025%0.251CS..Hα-helixtrans-56.8-47.7174.8-68.5166.2000110.9I206 M209 W230 W231 P232 I235 V240 A258 L259 R260 C266I206-I262 HydrophobicContact CD1-CB 4.41Å; I206-I262 HydrophobicContact CD1-CG2 4.23Å; I206-I262 HydrophobicContact CG1-CG2 4.36Å; I206-I262 HydrophobicContact CG2-CG2 4.3Å; M209-I262 HydrophobicContact CE-CG2 4.25Å; W230-I262 HydrophobicContact CZ3-CG2 3.99Å; W231-I262 HydrophobicContact CE3-CG2 3.88Å; W231-I262 HydrophobicContact CH2-CD1 3.63Å; W231-I262 HydrophobicContact CH2-CG1 4.29Å; W231-I262 HydrophobicContact CH2-CG2 3.97Å; W231-I262 HydrophobicContact CZ2-CD1 3.64Å; W231-I262 HydrophobicContact CZ2-CG1 4.34Å; W231-I262 HydrophobicContact CZ3-CD1 4.2Å; W231-I262 HydrophobicContact CZ3-CG1 4.4Å; W231-I262 HydrophobicContact CZ3-CG2 3.45Å; W231-I262 VanDerWaalsContact CZ3-CG2 3.45Å; P232-I262 HydrophobicContact CG-CG1 3.94Å; I235-I262 HydrophobicContact CD1-CD1 3.74Å; I235-I262 HydrophobicContact CD1-CG1 3.63Å; I235-I262 HydrophobicContact CG2-CD1 4.18Å; V240-I262 HydrophobicContact CG1-CD1 4.34Å; A258-I262 WeakPolarHBondContact O-CG1 3.5Å; A258-I262 PolarHBondContact O-N 3.32Å; A258-I262 VanDerWaalsContact O-N 3.13Å; L259-I262 HydrophobicContact CD2-CD1 4.12Å; L259-I262 WeakPolarHBondContact O-CB 3.25Å; L259-I262 PolarHBondContact O-N 2.9Å; R260-I262 VanDerWaalsContact C-N 3.34Å; R260-I262 PolarHBondContact O-N 3.46Å; I262-C266 PolarHBondContact O-N 3.41Å; I262-C266 VanDerWaalsContact O-N 3.11Å
263V86.1Confident82.2Confident0 Ų044.3 Ų44.30%023%0.232CC..Hα-helixtrans-65.5-46.9-179.9178.30000110.7L185 V194 L202 F205 I206 M209 L259 R260 T261 N265 C266 Y267L185-V263 HydrophobicContact CD2-CG1 4.26Å; V194-V263 HydrophobicContact CB-CG1 4.49Å; V194-V263 HydrophobicContact CG1-CB 3.98Å; V194-V263 HydrophobicContact CG1-CG1 3.99Å; V194-V263 HydrophobicContact CG2-CB 4.47Å; V194-V263 HydrophobicContact CG2-CG1 3.59Å; L202-V263 HydrophobicContact CD2-CG2 4.02Å; F205-V263 HydrophobicContact CD1-CG1 4.34Å; F205-V263 HydrophobicContact CD1-CG2 4.07Å; F205-V263 HydrophobicContact CE1-CG1 3.87Å; F205-V263 HydrophobicContact CE1-CG2 4.36Å; I206-V263 HydrophobicContact CD1-CG2 4.24Å; I206-V263 HydrophobicContact CG1-CG2 3.74Å; M209-V263 HydrophobicContact SD-CB 4.29Å; M209-V263 HydrophobicContact SD-CG1 4.04Å; M209-V263 HydrophobicContact SD-CG2 4.22Å; L259-V263 PolarHBondContact O-N 3.45Å; R260-V263 PolarHBondContact O-N 3.3Å; T261-V263 VanDerWaalsContact C-N 3.33Å; T261-V263 PolarHBondContact O-N 2.98Å; V263-N265 PolarHBondContact O-N 3.11Å; V263-C266 WeakPolarHBondContact O-CB 3.34Å; V263-C266 PolarHBondContact O-N 3.33Å; V263-Y267 HydrophobicContact CG1-CD2 3.94Å; V263-Y267 HydrophobicContact CG1-CE2 3.94Å; V263-Y267 VanDerWaalsContact O-CD2 3.28Å; V263-Y267 WeakPolarHBondContact O-CD2 3.33Å; V263-Y267 PolarHBondContact O-N 2.95Å; V263-Y267 VanDerWaalsContact O-N 3.12Å
264K85.3Confident81.2Confident61 Ų6146.4 Ų46.427%0.26524%0.242SC..Hα-helixtrans-58.7-43.9178-70.7-178.3179-170.80112.1V194 D195 R260 T261 Y267 K268 L276V194-K264 HydrophobicContact CG1-CG 4.23Å; D195-K264 WeakPolarHBondContact OD1-CE 3.29Å; D195-K264 IonicContact OD1-NZ 2.83Å; D195-K264 PolarHBondContact OD1-NZ 3.03Å; D195-K264 WeakPolarHBondContact OD2-CE 3.38Å; D195-K264 IonicContact OD2-NZ 3.16Å; D195-K264 PolarHBondContact OD2-NZ 3.38Å; R260-K264 WeakPolarHBondContact O-CG 3.46Å; R260-K264 PolarHBondContact O-N 2.89Å; T261-K264 PolarHBondContact O-N 3.28Å; K264-Y267 PolarHBondContact O-N 3.38Å; K264-K268 WeakPolarHBondContact O-CB 3.47Å; K264-K268 PolarHBondContact O-N 3.12Å; K264-L276 HydrophobicContact CB-CD1 4.29Å; K264-L276 HydrophobicContact CG-CD1 4.25Å; K264-L276 HydrophobicContact CG-CD2 4.37Å
265N84.9Confident80.1Confident54 Ų5444.4 Ų44.429%0.28923%0.225SC..Hα-helixtrans-65.7-38.9178.8-78.87.7000113.1W230 T261 V263 Q269W230-N265 WeakPolarHBondContact O-CB 3.16Å; T261-N265 WeakPolarHBondContact O-CB 3.21Å; T261-N265 PolarHBondContact O-N 3.26Å; V263-N265 PolarHBondContact O-N 3.11Å; N265-Q269 WeakPolarHBondContact O-CB 3.15Å; N265-Q269 PolarHBondContact O-N 3.06Å
266C84.4Confident79.1Confident0 Ų044 Ų440%023%0.225CC..Hα-helixtrans-60-51.9174.9-1760000110.8M209 W230 I262 V263 K268 Q269 H270M209-C266 HydrophobicContact CE-CB 3.48Å; M209-C266 VanDerWaalsContact CE-CB 3.48Å; M209-C266 HydrophobicContact CG-CB 4.43Å; M209-C266 HydrophobicContact SD-CB 3.51Å; M209-C266 VanDerWaalsContact SD-CB 3.51Å; M209-C266 VanDerWaalsContact SD-SG 3.62Å; W230-C266 HydrophobicContact CD2-CB 4.11Å; W230-C266 HydrophobicContact CE3-CB 3.78Å; W230-C266 HydrophobicContact CH2-CB 3.71Å; W230-C266 HydrophobicContact CZ2-CB 4.01Å; W230-C266 HydrophobicContact CZ3-CB 3.59Å; I262-C266 PolarHBondContact O-N 3.41Å; I262-C266 VanDerWaalsContact O-N 3.11Å; V263-C266 WeakPolarHBondContact O-CB 3.34Å; V263-C266 PolarHBondContact O-N 3.33Å; C266-K268 VanDerWaalsContact C-N 3.33Å; C266-K268 PolarHBondContact O-N 3.21Å; C266-Q269 PolarHBondContact O-N 3.31Å; C266-Q269 VanDerWaalsContact O-N 3.11Å; C266-H270 PolarHBondContact O-N 3.34Å; C266-H270 PolarHBondContact O-ND1 3.29Å
267Y79.6Confident77.6Confident0 Ų049 Ų490%024%0.241CC..Hα-helixtrans-62.9-39.2-179.1-86.9-106.9000112.9L182 P183 L185 F205 M209 V263 K264 Q269 H270 G271 R272 L275 L276L182-Y267 HydrophobicContact CB-CE1 4.42Å; L182-Y267 HydrophobicContact CD1-CD1 4.08Å; L182-Y267 HydrophobicContact CD1-CD2 3.91Å; L182-Y267 HydrophobicContact CD1-CE1 4.33Å; L182-Y267 HydrophobicContact CD1-CE2 4.16Å; L182-Y267 HydrophobicContact CD1-CG 3.87Å; P183-Y267 PolarHBondContact O-OH 3.28Å; L185-Y267 HydrophobicContact CD1-CE1 4.16Å; L185-Y267 HydrophobicContact CD2-CE1 4.44Å; L185-Y267 HydrophobicContact CD2-CE2 4.11Å; L185-Y267 WeakPolarHBondContact CD2-OH 3.33Å; L185-Y267 HydrophobicContact CG-CE1 4.04Å; L185-Y267 WeakPolarHBondContact CG-OH 3.46Å; F205-Y267 HydrophobicContact CE1-CE2 4.11Å; F205-Y267 HydrophobicContact CZ-CE2 4.18Å; F205-Y267 WeakPolarHBondContact CZ-OH 3.32Å; M209-Y267 HydrophobicContact CG-CE2 4.26Å; M209-Y267 HydrophobicContact SD-CD2 4.09Å; M209-Y267 HydrophobicContact SD-CE2 3.9Å; V263-Y267 HydrophobicContact CG1-CD2 3.94Å; V263-Y267 HydrophobicContact CG1-CE2 3.94Å; V263-Y267 VanDerWaalsContact O-CD2 3.28Å; V263-Y267 WeakPolarHBondContact O-CD2 3.33Å; V263-Y267 PolarHBondContact O-N 2.95Å; V263-Y267 VanDerWaalsContact O-N 3.12Å; K264-Y267 PolarHBondContact O-N 3.38Å; Y267-Q269 VanDerWaalsContact C-N 3.33Å; Y267-Q269 PolarHBondContact O-N 3.41Å; Y267-H270 PolarHBondContact O-N 3.38Å; Y267-G271 PolarHBondContact O-N 2.87Å; Y267-R272 HydrophobicContact CD1-CB 4.18Å; Y267-R272 WeakPolarHBondContact CD1-O 3.47Å; Y267-R272 PolarHBondContact O-N 3.39Å; Y267-L275 HydrophobicContact CD1-CB 4.2Å; Y267-L275 HydrophobicContact CD1-CD1 4.47Å; Y267-L275 HydrophobicContact CE1-CB 4Å; Y267-L275 HydrophobicContact CE1-CD1 3.83Å; Y267-L276 HydrophobicContact CD1-CD2 4.24Å; Y267-L276 HydrophobicContact CD1-CG 4.29Å; Y267-L276 HydrophobicContact CG-CD2 4.01Å; Y267-L276 HydrophobicContact CG-CG 4.23Å
268K81.7Confident75.9Confident126 Ų12647.5 Ų47.555%0.54824%0.243SC..Hα-helixtrans-57.6-43.6171.5178.4164.9-167.51720113.1K264 C266 H270 G271 E273K264-K268 WeakPolarHBondContact O-CB 3.47Å; K264-K268 PolarHBondContact O-N 3.12Å; C266-K268 VanDerWaalsContact C-N 3.33Å; C266-K268 PolarHBondContact O-N 3.21Å; K268-H270 VanDerWaalsContact C-N 3.29Å; K268-H270 PolarHBondContact O-N 3.39Å; K268-G271 PolarHBondContact O-N 3Å; K268-E273 HydrophobicContact CB-CG 3.98Å; K268-E273 WeakPolarHBondContact CB-OE1 3.37Å; K268-E273 VanDerWaalsContact CD-OE1 3.24Å; K268-E273 WeakPolarHBondContact CD-OE1 3.32Å; K268-E273 HydrophobicContact CG-CG 4.29Å; K268-E273 WeakPolarHBondContact CG-OE1 3.33Å
269Q77.3Confident74.2Confident103 Ų10350.5 Ų50.548%0.48126%0.256SS..Hα-helixtrans-69.2-27.8-179.6-167.6-122.99.200113.1W230 N265 C266 Y267 G271W230-Q269 HydrophobicContact CB-CB 3.87Å; W230-Q269 HydrophobicContact CB-CG 4Å; W230-Q269 HydrophobicContact CG-CB 4.14Å; W230-Q269 HydrophobicContact CG-CG 4.26Å; N265-Q269 WeakPolarHBondContact O-CB 3.15Å; N265-Q269 PolarHBondContact O-N 3.06Å; C266-Q269 PolarHBondContact O-N 3.31Å; C266-Q269 VanDerWaalsContact O-N 3.11Å; Y267-Q269 VanDerWaalsContact C-N 3.33Å; Y267-Q269 PolarHBondContact O-N 3.41Å; Q269-G271 VanDerWaalsContact C-N 3.3Å
270H72.8Confident72.2Confident42 Ų4254.5 Ų54.519%0.19428%0.275CS..THydrogen-bonded Turntrans-89.94.7177.4-62.366000112.5L182 S213 C266 Y267 K268 R272L182-H270 HydrophobicContact CD1-CB 3.54Å; L182-H270 HydrophobicContact CG-CB 3.98Å; S213-H270 WeakPolarHBondContact CB-NE2 3.42Å; S213-H270 PolarHBondContact OG-CE1 2.98Å; S213-H270 PolarHBondContact OG-NE2 3.18Å; C266-H270 PolarHBondContact O-N 3.34Å; C266-H270 PolarHBondContact O-ND1 3.29Å; Y267-H270 PolarHBondContact O-N 3.38Å; K268-H270 VanDerWaalsContact C-N 3.29Å; K268-H270 PolarHBondContact O-N 3.39Å; H270-R272 PolarHBondContact O-N 2.99Å
271G67.3Low69.9Low58 Ų5858.2 Ų58.260%0.59830%0.297SS*.THydrogen-bonded Turntrans6618.2-178.300000113.9Y267 K268 Q269Y267-G271 PolarHBondContact O-N 2.87Å; K268-G271 PolarHBondContact O-N 3Å; Q269-G271 VanDerWaalsContact C-N 3.3Å
272R68.2Low67.8Low75 Ų7562.9 Ų62.928%0.28332%0.316SS..  trans-102.937.9178.4-67.8-65.1-64.1-1026.3112.1Y267 H270 D274 L275Y267-R272 HydrophobicContact CD1-CB 4.18Å; Y267-R272 WeakPolarHBondContact CD1-O 3.47Å; Y267-R272 PolarHBondContact O-N 3.39Å; H270-R272 PolarHBondContact O-N 2.99Å; R272-D274 WeakPolarHBondContact CA-OD1 3.41Å; R272-D274 IonicContact NE-OD1 2.77Å; R272-D274 PolarHBondContact NE-OD1 3.12Å; R272-D274 IonicContact NE-OD2 3.83Å; R272-D274 PolarHBondContact O-N 3.24Å; R272-L275 HydrophobicContact CB-CD1 4.35Å; R272-L275 VanDerWaalsContact NH2-CD1 3.32Å; R272-L275 PolarHBondContact O-N 3.36Å
273E68.3Low65.7Low78 Ų7868.4 Ų68.436%0.36434%0.342SS..THydrogen-bonded Turntrans-64.5-22.5174.4-62.2-177.1112.800111.5K268 L275 L276 Y277K268-E273 HydrophobicContact CB-CG 3.98Å; K268-E273 WeakPolarHBondContact CB-OE1 3.37Å; K268-E273 VanDerWaalsContact CD-OE1 3.24Å; K268-E273 WeakPolarHBondContact CD-OE1 3.32Å; K268-E273 HydrophobicContact CG-CG 4.29Å; K268-E273 WeakPolarHBondContact CG-OE1 3.33Å; E273-L275 VanDerWaalsContact C-N 3.25Å; E273-L275 PolarHBondContact O-N 2.92Å; E273-L276 WeakPolarHBondContact O-CB 3.35Å; E273-L276 PolarHBondContact O-N 2.65Å; E273-Y277 WeakPolarHBondContact O-CD2 3.41Å; E273-Y277 PolarHBondContact O-N 3.5Å
274D62.8Low63.5Low88 Ų8872 Ų7247%0.47136%0.363SS..Hα-helixtrans-51.9-41.8171.866.7-37.1000112.3R272 L276 Y277 A278R272-D274 WeakPolarHBondContact CA-OD1 3.41Å; R272-D274 IonicContact NE-OD1 2.77Å; R272-D274 PolarHBondContact NE-OD1 3.12Å; R272-D274 IonicContact NE-OD2 3.83Å; R272-D274 PolarHBondContact O-N 3.24Å; D274-L276 VanDerWaalsContact C-N 3.3Å; D274-L276 PolarHBondContact O-N 3.06Å; D274-Y277 PolarHBondContact O-N 3.15Å; D274-A278 WeakPolarHBondContact O-CB 3.02Å; D274-A278 PolarHBondContact O-N 2.97Å
275L64.9Low61.1Low33 Ų3373.3 Ų73.317%0.17338%0.377CS..Hα-helixtrans-70.6-24.1178.4-69.5-178.4000113.7L185 Y267 R272 E273L185-L275 HydrophobicContact CD1-CB 4.46Å; L185-L275 WeakPolarHBondContact CD1-O 3.31Å; Y267-L275 HydrophobicContact CD1-CB 4.2Å; Y267-L275 HydrophobicContact CD1-CD1 4.47Å; Y267-L275 HydrophobicContact CE1-CB 4Å; Y267-L275 HydrophobicContact CE1-CD1 3.83Å; R272-L275 HydrophobicContact CB-CD1 4.35Å; R272-L275 VanDerWaalsContact NH2-CD1 3.32Å; R272-L275 PolarHBondContact O-N 3.36Å; E273-L275 VanDerWaalsContact C-N 3.25Å; E273-L275 PolarHBondContact O-N 2.92Å
276L65.9Low58.9Low14 Ų1476.7 Ų76.77%0.07340%0.399CS..Hα-helixtrans-74.5-37.5177.3-62.9174000111.2L185 V194 K264 Y267 E273 D274L185-L276 HydrophobicContact CD1-CD2 4.11Å; V194-L276 HydrophobicContact CB-CD2 4.31Å; V194-L276 HydrophobicContact CG2-CD2 3.45Å; V194-L276 VanDerWaalsContact CG2-CD2 3.45Å; K264-L276 HydrophobicContact CB-CD1 4.29Å; K264-L276 HydrophobicContact CG-CD1 4.25Å; K264-L276 HydrophobicContact CG-CD2 4.37Å; Y267-L276 HydrophobicContact CD1-CD2 4.24Å; Y267-L276 HydrophobicContact CD1-CG 4.29Å; Y267-L276 HydrophobicContact CG-CD2 4.01Å; Y267-L276 HydrophobicContact CG-CG 4.23Å; E273-L276 WeakPolarHBondContact O-CB 3.35Å; E273-L276 PolarHBondContact O-N 2.65Å; D274-L276 VanDerWaalsContact C-N 3.3Å; D274-L276 PolarHBondContact O-N 3.06Å
277Y55.6Low56.7Low135 Ų13580.6 Ų80.653%0.52943%0.432SS..Hα-helixtrans-102.9-18.4-172.4-70.1-74.1000115E273 D274 F279 E280 D281E273-Y277 WeakPolarHBondContact O-CD2 3.41Å; E273-Y277 PolarHBondContact O-N 3.5Å; D274-Y277 PolarHBondContact O-N 3.15Å; Y277-F279 PolarHBondContact O-N 2.86Å; Y277-E280 WeakPolarHBondContact CD1-OE2 3.17Å; Y277-E280 PolarHBondContact O-N 3.45Å; Y277-D281 PolarHBondContact O-N 3.3Å; Y277-D281 VanDerWaalsContact O-N 3.15Å
278A50.5Low54.5Low53 Ų5384 Ų8444%0.43846%0.456SS..Hα-helixtrans-56.2-24-179.800000114.1D274D274-A278 WeakPolarHBondContact O-CB 3.02Å; D274-A278 PolarHBondContact O-N 2.97Å
279F49.5Very low52.3Low64 Ų6482.7 Ų82.728%0.28147%0.468SS..Hα-helixtrans-96.1-16.1178.4-63.3-73.4000114.5P191 Y277P191-F279 HydrophobicContact CB-CD1 4.19Å; P191-F279 HydrophobicContact CB-CE1 3.39Å; P191-F279 HydrophobicContact CB-CE2 3.9Å; P191-F279 HydrophobicContact CB-CZ 3.22Å; P191-F279 HydrophobicContact CG-CE1 3.72Å; P191-F279 HydrophobicContact CG-CZ 4Å; Y277-F279 PolarHBondContact O-N 2.86Å
280E47.2Very low50.5Low84 Ų8482.1 Ų82.139%0.39348%0.481SS..Hα-helixtrans-76-43.3168.1-94.9-179.9161.300109.8Y277 Q282 Q283 V284Y277-E280 WeakPolarHBondContact CD1-OE2 3.17Å; Y277-E280 PolarHBondContact O-N 3.45Å; E280-Q282 VanDerWaalsContact C-N 3.27Å; E280-Q282 PolarHBondContact O-N 2.91Å; E280-Q283 CarbonylContact O-C 3.56Å; E280-Q283 WeakPolarHBondContact O-CA 3.22Å; E280-Q283 WeakPolarHBondContact O-CB 3.26Å; E280-Q283 PolarHBondContact O-N 3.33Å; E280-V284 WeakPolarHBondContact O-CG2 3.39Å; E280-V284 PolarHBondContact O-N 3.46Å
281D40.5Very low48.8Very low110 Ų11088.9 Ų88.959%0.58851%0.513SS*.Hα-helixtrans-65.5-30.1-177.5-119.9-0.8000112.9Y277 Q283 V284 T285Y277-D281 PolarHBondContact O-N 3.3Å; Y277-D281 VanDerWaalsContact O-N 3.15Å; D281-Q283 VanDerWaalsContact C-N 3.26Å; D281-Q283 PolarHBondContact O-N 2.95Å; D281-V284 PolarHBondContact O-N 3.01Å; D281-T285 PolarHBondContact O-N 3.01Å; D281-T285 PolarHBondContact O-OG1 2.77Å
282Q43.3Very low47.2Very low143 Ų14395 Ų9567%0.66853%0.525SS*.Hα-helixtrans-71.3-18.8173.4-130.6173.22900113.4E280E280-Q282 VanDerWaalsContact C-N 3.27Å; E280-Q282 PolarHBondContact O-N 2.91Å
283Q43.8Very low45.5Very low116 Ų116100 Ų10054%0.54255%0.552SS.*Hα-helixtrans-91-24.8168.3-88.3-172.3-26.800112.8K196 E280 D281 T286K196-Q283 VanDerWaalsContact NZ-CD 3.29Å; K196-Q283 VanDerWaalsContact NZ-NE2 3.18Å; E280-Q283 CarbonylContact O-C 3.56Å; E280-Q283 WeakPolarHBondContact O-CA 3.22Å; E280-Q283 WeakPolarHBondContact O-CB 3.26Å; E280-Q283 PolarHBondContact O-N 3.33Å; D281-Q283 VanDerWaalsContact C-N 3.26Å; D281-Q283 PolarHBondContact O-N 2.95Å; Q283-T286 PolarHBondContact O-OG1 3.26Å
284V40.3Very low43.6Very low74 Ų74103.5 Ų103.545%0.44857%0.572SS.*Hα-helixtrans-86.2-26.2179.8-178.40000112.4E280 D281 T286 A287 S288E280-V284 WeakPolarHBondContact O-CG2 3.39Å; E280-V284 PolarHBondContact O-N 3.46Å; D281-V284 PolarHBondContact O-N 3.01Å; V284-T286 PolarHBondContact O-N 3.04Å; V284-A287 PolarHBondContact O-N 3.3Å; V284-S288 PolarHBondContact O-N 3.03Å; V284-S288 PolarHBondContact O-OG 3.39Å
285T34.4Very low42Very low90 Ų90105.6 Ų105.655%0.55259%0.588SS**THydrogen-bonded Turntrans-69.8-16.1174.121.70000113.8D281D281-T285 PolarHBondContact O-N 3.01Å; D281-T285 PolarHBondContact O-OG1 2.77Å
286T38.4Very low40.5Very low124 Ų124109 Ų10976%0.76162%0.621SS**THydrogen-bonded Turntrans-84.7-9169.251.10000113.5Q283 V284Q283-T286 PolarHBondContact O-OG1 3.26Å; V284-T286 PolarHBondContact O-N 3.04Å
287A37.8Very low38.7Very low83 Ų83112.4 Ų112.469%0.68665%0.652SS**THydrogen-bonded Turntrans-110.5-11.6-179.900000114.6V284V284-A287 PolarHBondContact O-N 3.3Å
288S33.8Very low37.6Very low71 Ų71115 Ų11550%0.49767%0.669SS.*SBendtrans-111.85-170.751.60000115.8V284V284-S288 PolarHBondContact O-N 3.03Å; V284-S288 PolarHBondContact O-OG 3.39Å
289A36.6Very low36.6Very low98 Ų98117.5 Ų117.581%0.8168%0.683SS**SBendtrans-93.49.9177.100000114.7
290A39.7Very low35.6Very low92 Ų92122.4 Ų122.476%0.7671%0.71SS**SBendtrans-113.120.6-175.400000115.3
291Q35.5Very low34.6Very low184 Ų184122.6 Ų122.686%0.8673%0.726SS**  trans-135.516.9-179.8-86.6-174.2-15.400117
292H34.7Very low34.3Very low185 Ų185125.7 Ų125.786%0.85674%0.737SS**  trans-103.859.8173.3-87.2-78.7000113.3
293H31.1Very low33.6Very low180 Ų180126.8 Ų126.883%0.83375%0.746SS**  trans-170103.4144.5-129.7-127.6000110.3
294L28.8Very low33Very low153 Ų153127.3 Ų127.380%0.80176%0.757SS**SBendtrans173.7123135.3-89153.4000110.2
295T29.1Very low32.7Very low131 Ų131129.4 Ų129.480%0.80477%0.772SS**  trans70.7114.5150.9510000121.1
296A33Very low32.7Very low104 Ų104129.4 Ų129.486%0.8678%0.776SS**  trans-65.4128156.500000111.6
297A29.2Very low32.6Very low87 Ų87131.6 Ų131.672%0.71978%0.777SS**  trans169.7128.4137.300000111.3
298Q31.7Very low32.9Very low189 Ų189131.5 Ų131.588%0.88377%0.769SS**  trans78.8114.4151.5-62.8173.6-8.400120.1
299S29.3Very low33.3Very low105 Ų105132.8 Ų132.873%0.73477%0.773SS**  trans-48.6140157.242.10000115.2
300I29.1Very low33.5Very low167 Ų167131.5 Ų131.586%0.85676%0.755SS**  trans172.9128.1130.9-84.6152.1000110.6
301A27.4Very low33.5Very low88 Ų88133.1 Ų133.173%0.72775%0.747SS**  trans45.3109.9153.800000123
302H34.2Very low33.9Very low176 Ų176128.7 Ų128.782%0.81573%0.733SS**  17.7109.3126.2-160.3-120.7000118.7
303L28.5Very low34.5Very low165 Ų165122.4 Ų122.486%0.86471%0.707SS**  trans-171.5137.1141.7-98.8141000111
304V30.2Very low35Very low128 Ų128119.9 Ų119.978%0.77670%0.7SS**  trans-67.4134.2-178.2174.90000111.4
305P34.3Very low36.3Very low117 Ų117115.2 Ų115.276%0.7668%0.676SS**  trans-88.5113.1166.64.813.9000110.2
306S33.4Very low37Very low90 Ų90115.9 Ų115.963%0.62968%0.682SS**  trans-74124.2159.7-177.70000108.4T308S306-T308 PolarHBondContact O-N 3.44Å
307Q36.7Very low37.4Very low170 Ų170116.7 Ų116.779%0.79467%0.672SS**  trans-81.2104.6178.7-63.8-177.1-7.300109.5
308T44.2Very low37.9Very low82 Ų82115.9 Ų115.950%0.50367%0.673SS.*  trans-95.3117.3164.154.60000108.9S306S306-T308 PolarHBondContact O-N 3.44Å
309V42.1Very low38.6Very low97 Ų97110.4 Ų110.459%0.58865%0.652SS**EExtended strand (participates in β ladder)trans-91.5119.5173-177.20000107.9V325V309-V325 PolarHBondContact O-N 3.19Å
310V41.5Very low39Very low72 Ų72109.5 Ų109.544%0.43664%0.642SS.*EExtended strand (participates in β ladder)trans-104.5116.8172.2-174.80000107.4L322 I323 Q324V310-L322 HydrophobicContact CG1-CD2 3.92Å; V310-I323 WeakPolarHBondContact CA-O 3.4Å; V310-Q324 HydrophobicContact CG2-CG 4.36Å
311Q40.3Very low39.6Very low125 Ų125104 Ų10458%0.58462%0.619SS**EExtended strand (participates in β ladder)trans-104.7117.6176.7-168.7174.7-14.100109.1V313 I323Q311-V313 HydrophobicContact CG-CG2 4.47Å; Q311-I323 PolarHBondContact N-O 3.48Å; Q311-I323 PolarHBondContact O-N 3.49Å
312T43.5Very low40.1Very low92 Ų92105.8 Ų105.856%0.56462%0.615SS**EExtended strand (participates in β ladder)trans-91.7123.9174.250.40000109.6L322T312-L322 HydrophobicContact CG2-CD2 3.71Å; T312-L322 HydrophobicContact CG2-CG 4.11Å
313V46.8Very low40.6Very low53 Ų53101.4 Ų101.432%0.32160%0.597SS.*EExtended strand (participates in β ladder)trans-114.6120.9176.3-1740000108.5Q311 S321 I323Q311-V313 HydrophobicContact CG-CG2 4.47Å; V313-S321 PolarHBondContact N-O 3.22Å; V313-S321 PolarHBondContact O-N 3.5Å; V313-I323 HydrophobicContact CG2-CD1 4.18Å
314N42.4Very low41.3Very low127 Ų127100.5 Ų100.568%0.67959%0.588SS**EExtended strand (participates in β ladder)trans-85.8120.6171.2-96.712.4000109.2V320N314-V320 VanDerWaalsContact OD1-CG2 3.3Å; N314-V320 WeakPolarHBondContact OD1-CG2 3.41Å
315N55.4Low41.7Very low54 Ų5499.1 Ų99.129%0.28958%0.58SS.*  trans-82.2151.7175.3-60.7-41.9000110D317 G318 T319 S321N315-D317 WeakPolarHBondContact CB-OD1 3.17Å; N315-D317 PolarHBondContact O-N 3Å; N315-G318 PolarHBondContact O-N 3.44Å; N315-G318 VanDerWaalsContact O-N 3.13Å; N315-T319 PolarHBondContact N-O 2.97Å; N315-T319 PolarHBondContact ND2-OG1 3.46Å; N315-S321 PolarHBondContact ND2-OG 3.1Å
316P43Very low41.8Very low146 Ų14696.2 Ų96.295%0.94857%0.571SS**THydrogen-bonded Turntrans-66.9-5179.125-32.5000114.4
317D41.3Very low42Very low120 Ų12097.8 Ų97.864%0.64258%0.577SS**THydrogen-bonded Turntrans-93.14174.266.62.8000114N315 T319N315-D317 WeakPolarHBondContact CB-OD1 3.17Å; N315-D317 PolarHBondContact O-N 3Å; D317-T319 PolarHBondContact OD1-N 3.45Å; D317-T319 VanDerWaalsContact OD1-N 3.17Å; D317-T319 PolarHBondContact OD1-OG1 2.73Å
318G40.5Very low42.1Very low71 Ų7192.7 Ų92.773%0.73257%0.57SS**SBendtrans87.15.9176.300000115.1N315N315-G318 PolarHBondContact O-N 3.44Å; N315-G318 VanDerWaalsContact O-N 3.13Å
319T46.8Very low41.4Very low73 Ų7397.4 Ų97.445%0.44859%0.586SS.*  trans-94.1151.7173.863.80000112.2N315 D317N315-T319 PolarHBondContact N-O 2.97Å; N315-T319 PolarHBondContact ND2-OG1 3.46Å; D317-T319 PolarHBondContact OD1-N 3.45Å; D317-T319 VanDerWaalsContact OD1-N 3.17Å; D317-T319 PolarHBondContact OD1-OG1 2.73Å
320V38.3Very low41Very low87 Ų8798.7 Ų98.753%0.52759%0.594SS.*EExtended strand (participates in β ladder)trans-111.2122-179.5-170.30000109.9N314N314-V320 VanDerWaalsContact OD1-CG2 3.3Å; N314-V320 WeakPolarHBondContact OD1-CG2 3.41Å
321S40Very low40.3Very low52 Ų52102.1 Ų102.136%0.36462%0.616SS.*EExtended strand (participates in β ladder)trans-102.1125.4174.3-65.40000110.5V313 N315V313-S321 PolarHBondContact N-O 3.22Å; V313-S321 PolarHBondContact O-N 3.5Å; N315-S321 PolarHBondContact ND2-OG 3.1Å
322L38.9Very low40Very low125 Ų125100.1 Ų100.165%0.65462%0.62SS**EExtended strand (participates in β ladder)trans-100.1121.1173.8-72.7121.1000110.2V310 T312V310-L322 HydrophobicContact CG1-CD2 3.92Å; T312-L322 HydrophobicContact CG2-CD2 3.71Å; T312-L322 HydrophobicContact CG2-CG 4.11Å
323I44.8Very low39.2Very low84 Ų84102.7 Ų102.743%0.43164%0.636SS.*EExtended strand (participates in β ladder)trans-109.3115.5177-55.2172.8000108.1V310 Q311 V313 V325V310-I323 WeakPolarHBondContact CA-O 3.4Å; Q311-I323 PolarHBondContact N-O 3.48Å; Q311-I323 PolarHBondContact O-N 3.49Å; V313-I323 HydrophobicContact CG2-CD1 4.18Å; I323-V325 HydrophobicContact CG2-CG2 4.09Å
324Q42Very low38.1Very low145 Ų145108 Ų10868%0.67866%0.662SS**EExtended strand (participates in β ladder)trans-107118.1175.7-174.6173.5-5.800109.2V310V310-Q324 HydrophobicContact CG2-CG 4.36Å
325V40.4Very low37.4Very low99 Ų99106.3 Ų106.360%0.667%0.665SS**EExtended strand (participates in β ladder)trans-107.6114.3178.3-168.10000108.3V309 I323V309-V325 PolarHBondContact O-N 3.19Å; I323-V325 HydrophobicContact CG2-CG2 4.09Å
326G36.5Very low35.8Very low57 Ų57111.4 Ų111.459%0.58869%0.692SS**  trans-112.7126.9178.900000111.6G328G326-G328 PolarHBondContact O-N 3.47Å
327T37.6Very low35Very low123 Ų123109.2 Ų109.276%0.75569%0.687SS**  trans-77.9105.1166.7440000108.2H329T327-H329 PolarHBondContact O-N 3.29Å
328G37.3Very low34.5Very low63 Ų63108.5 Ų108.565%0.64969%0.691SS**  trans-67.3122.2-165.100000114.6G326G326-G328 PolarHBondContact O-N 3.47Å
329H30.6Very low33.9Very low180 Ų180113.1 Ų113.183%0.83369%0.694SS**  trans-150.7115153.7-92.2-95.7000110.5T327T327-H329 PolarHBondContact O-N 3.29Å
330T32.3Very low33Very low124 Ų124117.8 Ų117.876%0.76172%0.715SS**  trans60121.4149.248.40000124.8
331V26.8Very low32.7Very low145 Ų145119.5 Ų119.588%0.87973%0.728SS**  trans88.7134.6133.6-177.20000120.5
332A34.3Very low32.2Very low83 Ų83120.7 Ų120.769%0.68675%0.748SS**  trans-72.1154.5-167.100000116.9
333T27.6Very low31.7Very low145 Ų145121 Ų12189%0.8976%0.755SS**  trans-159.4153.4140.923.90000111.8
334L24.5Very low31Very low165 Ų165123.9 Ų123.986%0.86478%0.777SS**  trans-70.2152.7-162.1-83.993.5000118.6
335A25.9Very low30.4Very low91 Ų91122.7 Ų122.775%0.75278%0.779SS**  76.3134.6126.700000124.2
336D23.2Very low29.7Very low161 Ų161122.6 Ų122.686%0.86179%0.788SS**  trans84102.9139.3-152.428.4000120.2
337A26Very low29.3Very low100 Ų100127.4 Ų127.483%0.82680%0.796SS**  trans-172130.9130.200000109.9
338S29.9Very low28.7Very low105 Ų105128.5 Ų128.573%0.73480%0.802SS**  trans-88.2164-178.2-172.90000112.8
339E29.2Very low28.1Very low168 Ų168130.4 Ų130.479%0.78580%0.797SS**  trans90.397.2157.2-50.3-168.4169.900120.3
340L27.9Very low27.8Very low171 Ų171131.8 Ų131.890%0.89580%0.797SS**  165.8152.3119.6-89.3153.4000111.5
341P30.2Very low27.6Very low124 Ų124129.5 Ų129.581%0.80579%0.786SS**  trans-93.3141.8-156.235.3-34000114.1
342G31.3Very low27.6Very low76 Ų76129 Ų12978%0.78478%0.783SS**  trans108.661.2159.300000115.9
343V27.5Very low27.3Very low131 Ų131131.5 Ų131.579%0.79479%0.789SS**  trans-136.5111.2162.9-179.60000108.7V345V343-V345 HydrophobicContact CG1-CG2 4.08Å
344T29.4Very low27.3Very low145 Ų145130.6 Ų130.689%0.8978%0.784SS**  trans-89.3108.5168.842.90000109
345V29.8Very low27.5Very low121 Ų121131.1 Ų131.173%0.73379%0.787SS**  trans-87112.3171.1-177.90000108.3V343 Q347V343-V345 HydrophobicContact CG1-CG2 4.08Å; V345-Q347 PolarHBondContact O-N 3.43Å
346A26.5Very low27.6Very low96 Ų96130.2 Ų130.279%0.79379%0.787SS**  trans-83.698.1168.900000109V348A346-V348 PolarHBondContact O-N 3.02Å
347Q26.8Very low27.8Very low159 Ų159132 Ų13274%0.74379%0.79SS**  trans-83.4109.9173.5-172.6178.7-36.300109.2V345 N349V345-Q347 PolarHBondContact O-N 3.43Å; Q347-N349 PolarHBondContact O-N 3.22Å
348V25.1Very low27.9Very low145 Ų145132.8 Ų132.888%0.87979%0.79SS**  trans-86.295.4172.9-150.40000107.9A346A346-V348 PolarHBondContact O-N 3.02Å
349N26.2Very low27.7Very low103 Ų103139.5 Ų139.555%0.55180%0.799SS**  trans-93.6120.1177.6-170.327.9000109.6Q347 S351Q347-N349 PolarHBondContact O-N 3.22Å; N349-S351 VanDerWaalsContact C-N 3.32Å; N349-S351 PolarHBondContact ND2-OG 3.25Å; N349-S351 VanDerWaalsContact ND2-OG 3.1Å; N349-S351 PolarHBondContact O-N 2.83Å
350Y23.4Very low27.5Very low210 Ų210136.3 Ų136.382%0.82480%0.802SS**  trans-76.888.9168.257.9-85.7000108.5
351S27.4Very low27.7Very low76 Ų76133.9 Ų133.953%0.53179%0.794SS.*  trans-84.4115.5173.5-50.50000108.2N349 V353N349-S351 VanDerWaalsContact C-N 3.32Å; N349-S351 PolarHBondContact ND2-OG 3.25Å; N349-S351 VanDerWaalsContact ND2-OG 3.1Å; N349-S351 PolarHBondContact O-N 2.83Å; S351-V353 PolarHBondContact O-N 2.9Å
352T27.2Very low27.5Very low134 Ų134135.6 Ų135.682%0.82280%0.796SS**  trans-66.3107.9166.548.30000108.7
353V27.6Very low27.2Very low135 Ų135140.8 Ų140.882%0.81880%0.799SS**  trans-83.1119178.2176.20000109.7S351S351-V353 PolarHBondContact O-N 2.9Å
354T28.3Very low27.2Very low126 Ų126138.6 Ų138.677%0.77380%0.804SS**  trans-76.5143158.446.10000110
355D27.7Very low27Very low176 Ų176135.5 Ų135.594%0.94180%0.801SS**SBendtrans-42.7135.4180-87.4-37.4000115.4
356G28.4Very low26.7Very low72 Ų72139.2 Ų139.274%0.74281%0.81SS**  trans150.785.1168.800000114.8
357E28.8Very low26.6Very low198 Ų198143 Ų14393%0.92581%0.813SS**  trans30.7110.5154.2-60.4-178.7147.600120.7
358S26.4Very low26.5Very low118 Ų118141.8 Ų141.883%0.82582%0.817SS**  -176.2110.8120.3-162.30000110.6
359W25.7Very low26.4Very low246 Ų246142.7 Ų142.793%0.93282%0.815SS**  trans-102115.9166.1-73.996.1000108.5
360A26.2Very low26.3Very low101 Ų101147 Ų14784%0.83583%0.832SS**  trans-97.2107.5157.800000107.5
361T31.4Very low26.5Very low120 Ų120142.6 Ų142.674%0.73683%0.827SS**  trans-113.9122.6166.1-31.40000107.3
362L26.2Very low26.3Very low160 Ų160145.7 Ų145.784%0.83884%0.843SS**  trans-87116.2167.3-81.2171.9000110.1
363Q25.7Very low26.3Very low184 Ų184148.3 Ų148.386%0.8685%0.846SS**  trans72107146.1-84.7172.2-39.900120.9
364G26Very low26.3Very low86 Ų86147 Ų14789%0.88785%0.85SS**  136.396.912200000115.5
365G26.1Very low26.2Very low80 Ų80146.2 Ų146.283%0.82585%0.849SS**  trans137.8101.5161.300000114.9
366E24.6Very low26.3Very low198 Ų198146.6 Ų146.693%0.92585%0.845SS**  trans-53.5134.6175.5179.6-177.2178.900114.9
367M23.4Very low26.3Very low175 Ų175148.2 Ų148.286%0.86285%0.852SS**  -171.3141.5128.9-154.415566.600112.1
368T24.1Very low26.3Very low134 Ų134144.9 Ų144.982%0.82285%0.845SS**  trans-63.2142.2-173.638.90000116.7
369I24.4Very low26.3Very low164 Ų164147.9 Ų147.984%0.84185%0.846SS**  trans-104.6121.2167.5-60.1176.4000109.6
370Q24Very low26.4Very low193 Ų193140.5 Ų140.590%0.90284%0.837SS**  trans-98.6122.4165.7-167.2168.2-1.700108.4
371T26.1Very low26.5Very low119 Ų119142.7 Ų142.773%0.7384%0.84SS**  trans-83.5142.5-177.7-149.60000111.1
372T24.7Very low26.3Very low141 Ų141141.1 Ų141.187%0.86584%0.839SS**  trans-143.8126.8154.727.50000110.6
373Q26.7Very low26.6Very low188 Ų188138.5 Ų138.588%0.87983%0.834SS**  trans-61.5144.5175.2-72.6169.3-15.500112.3
374A27.5Very low26.9Very low109 Ų109137.1 Ų137.190%0.90183%0.832SS**  trans-109.9110.8160.600000109.4
375S26.4Very low27Very low109 Ų109137.8 Ų137.876%0.76283%0.829SS**  trans-91.4156.9171.3-176.40000110.8
376E30.1Very low27.4Very low183 Ų183142.8 Ų142.886%0.85583%0.831SS**  trans-42.7147.1-179.9-56.3169147.900117.6
377A27.5Very low27.6Very low106 Ų106137.1 Ų137.188%0.87682%0.818SS**  trans-158.2118143.800000112.3
378T28.8Very low27.9Very low129 Ų129133.5 Ų133.579%0.79182%0.816SS**  trans-90.8139.8167.4-62.50000108.7
379Q27.6Very low28.3Very low181 Ų181134 Ų13485%0.84682%0.819SS**  trans144.5133135.7-81.5-177.1-0.300116
380A27.4Very low28.6Very low90 Ų90131.2 Ų131.274%0.74482%0.819SS**  trans70.6112140.800000121.3
381V27.9Very low28.9Very low148 Ų148126.9 Ų126.990%0.89782%0.817SS**  trans-137.898.4135.3-176.60000109.2
382A27.9Very low29.4Very low87 Ų87126.8 Ų126.872%0.71982%0.821SS**  trans-95.8141.9154.100000107.8
383S32.2Very low29.7Very low104 Ų104129.2 Ų129.273%0.72782%0.823SS**  trans56.4103.5151174.50000118.9
384L31.2Very low29.6Very low155 Ų155129.1 Ų129.181%0.81282%0.822SS**  trans-127.774.2159-149.182.1000110.4A387L384-A387 HydrophobicContact CD2-CB 4.38Å; L384-A387 HydrophobicContact CG-CB 4.4Å
385A29.3Very low29.7Very low100 Ų100131.7 Ų131.783%0.82682%0.819SS**  trans-106.416.6163.900000111.7
386E32.9Very low29.6Very low186 Ų186135.2 Ų135.287%0.86982%0.824SS**  trans-139.754.7-170.6-155.3171.7-165.300111.8
387A30Very low29.5Very low78 Ų78132.6 Ų132.665%0.64582%0.822SS**  trans-142.133.6171.500000112.6L384L384-A387 HydrophobicContact CD2-CB 4.38Å; L384-A387 HydrophobicContact CG-CB 4.4Å
388A28.4Very low29.8Very low99 Ų99131.3 Ų131.382%0.81882%0.819SS**SBendtrans-106.614.1-178.400000114.7
389V34.1Very low29.6Very low146 Ų146129.8 Ų129.889%0.88582%0.82SS**SBendtrans-122.6-0.7-172.2178.30000115.8
390A30.6Very low29.6Very low104 Ų104126.2 Ų126.286%0.8681%0.811SS**SBendtrans-149.775.1177.300000114.2
391A30Very low29.6Very low103 Ų103128.1 Ų128.185%0.85181%0.813SS**  trans-160.655.8157.200000111
392S36.9Very low29.5Very low117 Ų117127.2 Ų127.282%0.81881%0.807SS**  trans-97.985.1159.3-78.50000108
393Q30.5Very low29.4Very low192 Ų192130.4 Ų130.490%0.89781%0.809SS**SBendtrans-177.8136.9147.8-1051497.300112.7
394E25.4Very low29.1Very low186 Ų186130.3 Ų130.387%0.86982%0.815SS**  trans65.796.6167.9-74.1-173.4145.400119.3Q396E394-Q396 PolarHBondContact O-N 3.12Å
395I28.2Very low29.1Very low162 Ų162130.5 Ų130.583%0.83182%0.816SS**PPolyproline II helixtrans-65.2117157-64.6158.1000108.5
396Q25.6Very low29.5Very low184 Ų184133.3 Ų133.386%0.8682%0.817SS**PPolyproline II helixtrans-96.7128.4156.1-78.6-171.70.800109.4E394E394-Q396 PolarHBondContact O-N 3.12Å
397P27.6Very low29.9Very low128 Ų128129.8 Ų129.883%0.83181%0.813SS**SBendtrans-82.9121.8176.931.5-29.1000110.1
398G33.4Very low30.2Very low78 Ų78134.1 Ų134.180%0.80482%0.82SS**  trans139.931.2165.800000119.1
399A25.5Very low30.7Very low98 Ų98133.1 Ų133.181%0.8181%0.812SS**PPolyproline II helixtrans-99.4116.8172.600000111.9
400T25.8Very low31.1Very low106 Ų106129.5 Ų129.565%0.6580%0.797SS**PPolyproline II helixtrans-81.9125.617135.90000110.6
401V27.4Very low31.2Very low130 Ų130127.9 Ų127.979%0.78878%0.784SS**PPolyproline II helixtrans-101.6121.2171.9178.50000108.6M403V401-M403 HydrophobicContact CG1-CG 4.37Å
402T26.4Very low31.5Very low128 Ų128130.4 Ų130.479%0.78578%0.778SS**PPolyproline II helixtrans-94.9122.2174.3-46.80000108.8
403M25.8Very low31.4Very low154 Ų154127.3 Ų127.376%0.75976%0.759SS**  trans-107.5116.4172.8-66.6-176.869.800109.5V401V401-M403 HydrophobicContact CG1-CG 4.37Å
404A25.3Very low31.7Very low103 Ų103123.3 Ų123.385%0.85175%0.748SS**  trans-85.9111.8167.700000108.7
405L32.9Very low32.1Very low158 Ų158117.9 Ų117.983%0.82774%0.735SS**  trans-87.2117173.4-69.7167.3000108.7
406N36.6Very low32.6Very low160 Ų160115.6 Ų115.686%0.85673%0.728SS**  trans-71133.4175.9-152.66.8000109.7E408N406-E408 PolarHBondContact O-N 3.05Å
407S41.5Very low33Very low111 Ų111112.2 Ų112.278%0.77672%0.716SS**THydrogen-bonded Turntrans-74.585.5-166.6170.80000113
408E36.1Very low33.4Very low170 Ų170110.4 Ų110.479%0.79471%0.711SS**THydrogen-bonded Turntrans-154.7-28158.2-151.9169.7172.800112.3N406 A410N406-E408 PolarHBondContact O-N 3.05Å; E408-A410 PolarHBondContact O-N 3.11Å
409A39.7Very low33.7Very low78 Ų78115 Ų11565%0.64571%0.712SS**Hα-helixtrans-73.4-21.4177.100000114.4
410A41.1Very low34.1Very low69 Ų69113.8 Ų113.857%0.5770%0.702SS**Hα-helixtrans-70.6-32-178.100000112.9E408 H412 V414E408-A410 PolarHBondContact O-N 3.11Å; A410-H412 PolarHBondContact O-N 2.94Å; A410-V414 WeakPolarHBondContact O-CG2 3.39Å
411A34.5Very low34.6Very low71 Ų71114.9 Ų114.959%0.58771%0.709SS**Hα-helixtrans-70.8-31-179.100000112.7
412H35Very low35Very low156 Ų156116.9 Ų116.972%0.72271%0.714SS**Hα-helixtrans-80.1-28.6179.5-88.542.9000113.4A410 T416A410-H412 PolarHBondContact O-N 2.94Å; H412-T416 PolarHBondContact O-OG1 2.93Å
413A35.3Very low35.5Very low52 Ų52118.9 Ų118.943%0.4371%0.714SS.*Hα-helixtrans-71.3-35.7176.900000112.7T416A413-T416 PolarHBondContact O-N 3.07Å; A413-T416 PolarHBondContact O-OG1 3.21Å
414V36.4Very low36Very low108 Ų108116.2 Ų116.266%0.65573%0.726SS**Hα-helixtrans-67.8-34.4-179.81750000111.9A410 T416 L417A410-V414 WeakPolarHBondContact O-CG2 3.39Å; V414-T416 VanDerWaalsContact C-N 3.35Å; V414-T416 PolarHBondContact O-N 3.24Å; V414-L417 PolarHBondContact O-N 2.98Å
415A33.2Very low36.5Very low72 Ų72114.3 Ų114.360%0.59572%0.716SS**Hα-helixtrans-68-32.1179.300000113.1
416T39.3Very low36.8Very low114 Ų114110 Ų11070%0.69971%0.71SS**Hα-helixtrans-80.5-18.7-179.925.60000114.9H412 A413 V414H412-T416 PolarHBondContact O-OG1 2.93Å; A413-T416 PolarHBondContact O-N 3.07Å; A413-T416 PolarHBondContact O-OG1 3.21Å; V414-T416 VanDerWaalsContact C-N 3.35Å; V414-T416 PolarHBondContact O-N 3.24Å
417L34.3Very low36.7Very low113 Ų113109 Ų10959%0.59270%0.7SS**Hα-helixtrans-94.4-13.8-179.1-105.8135.1000113.8V414 E419 Y457V414-L417 PolarHBondContact O-N 2.98Å; L417-E419 PolarHBondContact O-N 2.96Å; L417-Y457 WeakPolarHBondContact CD2-OH 3.47Å
418A35.9Very low36.4Very low89 Ų89108.6 Ų108.674%0.73669%0.688SS**THydrogen-bonded Turntrans-76.2-4.2179.500000114.4
419E39.8Very low36.5Very low175 Ų175105.6 Ų105.682%0.81868%0.681SS**THydrogen-bonded Turntrans-114.723.3-173.9-144.1177.2-169.900113.9L417 T421L417-E419 PolarHBondContact O-N 2.96Å; E419-T421 PolarHBondContact O-N 3.43Å
420A33.6Very low36.4Very low73 Ų73108.5 Ų108.560%0.60369%0.685SS**  trans-85.7101.5170.600000110.5L422A420-L422 PolarHBondContact O-N 2.99Å
421T36.1Very low36.2Very low129 Ų129109.7 Ų109.779%0.79170%0.695SS**  trans-69.1120174.846.30000111.4E419 Q423E419-T421 PolarHBondContact O-N 3.43Å; T421-Q423 PolarHBondContact O-N 3.45Å
422L35.3Very low36.4Very low171 Ų171115.9 Ų115.990%0.89571%0.712SS**  trans-61.1113.9168-81.3142.7000110.4A420A420-L422 PolarHBondContact O-N 2.99Å
423Q36.9Very low36.4Very low171 Ų171114.8 Ų114.880%0.79972%0.716SS**  trans-91134.1155.6-71.5-168.7-2.300108.1T421 G425T421-Q423 PolarHBondContact O-N 3.45Å; Q423-G425 PolarHBondContact O-N 3.39Å
424G37.6Very low36.7Very low97 Ų97117.1 Ų117.1100%174%0.735SS**SBendtrans-53.2108-174.600000112.1
425G35.5Very low36.6Very low63 Ų63116.5 Ų116.565%0.64974%0.742SS**SBendtrans138.462.1179.500000114.1Q423 Q427Q423-G425 PolarHBondContact O-N 3.39Å; G425-Q427 VanDerWaalsContact C-N 3.27Å; G425-Q427 PolarHBondContact O-N 3.01Å
426G39Very low36.9Very low67 Ų67117.5 Ų117.569%0.69175%0.75SS**SBendtrans45.314.9150.700000122.7
427Q34.1Very low36.8Very low140 Ų140119.3 Ų119.365%0.65476%0.76SS**  trans-137.3140.2-178.8-95177.1-22.700112.1G425G425-Q427 VanDerWaalsContact C-N 3.27Å; G425-Q427 PolarHBondContact O-N 3.01Å
428I35.2Very low36.8Very low102 Ų102117.7 Ų117.752%0.52377%0.771SS.*  trans-103.2124.6172.7-59175.3000107.9L430 Y457I428-L430 HydrophobicContact CG2-CD1 4.39Å; I428-Y457 HydrophobicContact CD1-CE2 4.16Å
429V38.3Very low36.9Very low107 Ų107117.8 Ų117.865%0.64877%0.772SS**  trans-113.6119175177.40000108.2L449V429-L449 HydrophobicContact CG1-CD2 4.11Å
430L38.4Very low36.9Very low140 Ų140117.2 Ų117.273%0.73377%0.774SS**PPolyproline II helixtrans-93.3121.8171.4-75.7114.2000109.7I428I428-L430 HydrophobicContact CG2-CD1 4.39Å
431A36.8Very low37Very low93 Ų93119 Ų11977%0.76979%0.788SS**PPolyproline II helixtrans-92.1139.1170.600000110.5T433A431-T433 PolarHBondContact O-N 3.13Å
432E39Very low37Very low201 Ų201116.1 Ų116.194%0.93978%0.784SS**PPolyproline II helixtrans-49.8126.9-172.9-72.6179.1127.400114.3
433T35.5Very low37.3Very low133 Ų133114.2 Ų114.282%0.81678%0.779SS**  trans-129.7118.2151.7-61.20000107.7A431 A435A431-T433 PolarHBondContact O-N 3.13Å; T433-A435 PolarHBondContact O-N 3.48Å
434A39.9Very low37.1Very low101 Ų101115.1 Ų115.184%0.83578%0.784SS**SBendtrans-68.789.6-172.400000112.2
435A35.9Very low37.1Very low96 Ų96117.4 Ų117.479%0.79377%0.773SS**SBendtrans-155.715.4165.300000115.2T433T433-A435 PolarHBondContact O-N 3.48Å
436A37.8Very low37.4Very low93 Ų93119.2 Ų119.277%0.76978%0.782SS**  trans-139.635.5-178.200000114.4G438A436-G438 PolarHBondContact O-N 3.27Å
437V36.9Very low37.7Very low151 Ų151121.7 Ų121.792%0.91578%0.784SS**THydrogen-bonded Turntrans-9852.1-176.4-168.30000112
438G36.2Very low37.9Very low79 Ų79118.7 Ų118.781%0.81479%0.79SS**THydrogen-bonded Turntrans-125.9-15.4177.900000116.1A436A436-G438 PolarHBondContact O-N 3.27Å
439A37.4Very low37.9Very low91 Ų91119.2 Ų119.275%0.75279%0.793SS**SBendtrans-125.310-163.800000116.2
440L38.7Very low37.9Very low164 Ų164119.7 Ų119.786%0.85980%0.796SS**  trans-14374.1175.1-104.8103.8000111.4
441A35.7Very low37.9Very low109 Ų109120.3 Ų120.390%0.90180%0.795SS**  trans-93.498.3162.300000107.9
442G37.3Very low37.8Very low69 Ų69121.5 Ų121.571%0.71179%0.788SS**SBendtrans174.7-15175.700000117.9
443V40.3Very low37.8Very low131 Ų131116.1 Ų116.179%0.79477%0.77SS**  trans-13590.8178.5-171.70000108.9
444Q33.7Very low37.9Very low191 Ų191114.6 Ų114.689%0.89376%0.76SS**  trans-111.6116.6169.8-70176.25.500107.2
445D38.1Very low37.9Very low144 Ų144114.1 Ų114.177%0.7775%0.751SS**  trans-114.5152159.9-145.8-1.6000108.6T447 G448D445-T447 PolarHBondContact O-N 3.31Å; D445-G448 PolarHBondContact O-N 2.59Å
446A40.1Very low38.1Very low101 Ų101115.3 Ų115.384%0.83574%0.741SS**THydrogen-bonded Turntrans-6820.4-154.400000117.7
447T46.2Very low38.3Very low120 Ų120116 Ų11674%0.73673%0.725SS**THydrogen-bonded Turntrans-136.74.8179.3560000115.3D445 L449D445-T447 PolarHBondContact O-N 3.31Å; T447-L449 VanDerWaalsContact C-N 3.31Å; T447-L449 PolarHBondContact O-N 2.91Å
448G38.7Very low38.3Very low76 Ų76115.4 Ų115.478%0.78471%0.712SS**  trans67.418.516600000116.9D445D445-G448 PolarHBondContact O-N 2.59Å
449L35.1Very low38.6Very low114 Ų114116.5 Ų116.560%0.59770%0.703SS**  trans-109.2128.8177-70.4171000111.3V429 T447V429-L449 HydrophobicContact CG1-CD2 4.11Å; T447-L449 VanDerWaalsContact C-N 3.31Å; T447-L449 PolarHBondContact O-N 2.91Å
450V38Very low38.9Very low116 Ų116116.7 Ų116.770%0.70370%0.695SS**  trans-92.8118.1173.8179.80000109.1I452V450-I452 HydrophobicContact CG1-CG1 4.37Å
451Q37.8Very low39Very low153 Ų153113.5 Ų113.572%0.71568%0.682SS**  trans-101.4127.5175.5-82.4178-23.700110.9
452I36Very low39.2Very low119 Ų119112.5 Ų112.561%0.6167%0.665SS**  trans-118.8124.1173.2-55.5177.7000109.2V450 M456V450-I452 HydrophobicContact CG1-CG1 4.37Å; I452-M456 HydrophobicContact CG2-CB 4.44Å
453P38.1Very low39.3Very low87 Ų87112 Ų11257%0.56565%0.65SS**  trans-68.1141.9176.6-19.631.8000113.5S455 M456P453-S455 PolarHBondContact O-N 3.19Å; P453-S455 VanDerWaalsContact O-N 3.11Å; P453-M456 PolarHBondContact O-N 2.88Å
454V37.4Very low39.5Very low102 Ų102113.2 Ų113.262%0.61865%0.651SS**THydrogen-bonded Turntrans-61-21.5-176.8179.80000113.7M456 Y457V454-M456 PolarHBondContact O-N 3.32Å; V454-M456 VanDerWaalsContact O-N 3.13Å; V454-Y457 WeakPolarHBondContact O-CB 3.48Å; V454-Y457 PolarHBondContact O-N 3.26Å
455S41.3Very low40Very low90 Ų90108.3 Ų108.363%0.62964%0.643SS**Hα-helixtrans-62.3-19.9177.552.50000113.9P453P453-S455 PolarHBondContact O-N 3.19Å; P453-S455 VanDerWaalsContact O-N 3.11Å
456M40.2Very low40.2Very low121 Ų121109.2 Ų109.260%0.59664%0.643SS**Hα-helixtrans-78.1-20.7174.9-67-71.5-79.200113.1I452 P453 V454 V460I452-M456 HydrophobicContact CG2-CB 4.44Å; P453-M456 PolarHBondContact O-N 2.88Å; V454-M456 PolarHBondContact O-N 3.32Å; V454-M456 VanDerWaalsContact O-N 3.13Å; M456-V460 WeakPolarHBondContact O-CG2 3.44Å
457Y41.8Very low40Very low109 Ų109107.9 Ų107.943%0.42764%0.639SS.*Hα-helixtrans-79.1-36-176.9-105.6-92.9000113.1L417 I428 V454 T459 V461L417-Y457 WeakPolarHBondContact CD2-OH 3.47Å; I428-Y457 HydrophobicContact CD1-CE2 4.16Å; V454-Y457 WeakPolarHBondContact O-CB 3.48Å; V454-Y457 PolarHBondContact O-N 3.26Å; Y457-T459 PolarHBondContact O-N 3.33Å; Y457-V461 WeakPolarHBondContact O-CG2 3.49Å; Y457-V461 PolarHBondContact O-N 3.22Å
458Q37.2Very low39.9Very low137 Ų137110.2 Ų110.264%0.6465%0.647SS**Hα-helixtrans-67.9-36.3-176.7-156.474.14800111.7T462Q458-T462 WeakPolarHBondContact O-CB 3.49Å; Q458-T462 PolarHBondContact O-N 2.74Å; Q458-T462 PolarHBondContact O-OG1 3.21Å
459T41.6Very low39.8Very low102 Ų102117.5 Ų117.563%0.62665%0.651SS**Hα-helixtrans-73.7-34.4-175.4-50.30000113Y457 S463Y457-T459 PolarHBondContact O-N 3.33Å; T459-S463 WeakPolarHBondContact O-CB 3.48Å; T459-S463 PolarHBondContact O-N 3.35Å; T459-S463 PolarHBondContact O-OG 2.74Å
460V43.3Very low39.8Very low95 Ų95118.1 Ų118.158%0.57666%0.662SS**Hα-helixtrans-80.7-35.6-177-176.70000111.7M456 S463M456-V460 WeakPolarHBondContact O-CG2 3.44Å; V460-S463 PolarHBondContact O-OG 3.11Å
461V41.3Very low39.7Very low98 Ų98118 Ų11859%0.59466%0.661SS**Hα-helixtrans-74.8-35.5179.6178.80000111.6Y457Y457-V461 WeakPolarHBondContact O-CG2 3.49Å; Y457-V461 PolarHBondContact O-N 3.22Å
462T39.6Very low39.5Very low88 Ų88118.7 Ų118.754%0.5466%0.664SS.*Hα-helixtrans-75.2-26.7-179.2-36.60000112.6Q458Q458-T462 WeakPolarHBondContact O-CB 3.49Å; Q458-T462 PolarHBondContact O-N 2.74Å; Q458-T462 PolarHBondContact O-OG1 3.21Å
463S39.9Very low39.3Very low58 Ų58118.9 Ų118.941%0.40667%0.67SS.*Hα-helixtrans-85.9-19.7-177.850.40000114.5T459 V460T459-S463 WeakPolarHBondContact O-CB 3.48Å; T459-S463 PolarHBondContact O-N 3.35Å; T459-S463 PolarHBondContact O-OG 2.74Å; V460-S463 PolarHBondContact O-OG 3.11Å
464L45.2Very low38.7Very low157 Ų157119.5 Ų119.582%0.82268%0.683SS**Hα-helixtrans-83.5-17.7178.1-145.974.4000113.4Q466L464-Q466 VanDerWaalsContact C-N 3.29Å; L464-Q466 PolarHBondContact O-N 3.48Å
465A43.3Very low38.2Very low87 Ų87123.5 Ų123.572%0.71970%0.697SS**THydrogen-bonded Turntrans-76.8-13.2176.800000113.5
466Q42.4Very low37.6Very low164 Ų164123.4 Ų123.477%0.76670%0.702SS**SBendtrans-121.5105.4177.5-68.9-179.81.600108.8L464L464-Q466 VanDerWaalsContact C-N 3.29Å; L464-Q466 PolarHBondContact O-N 3.48Å
467G35.3Very low37Very low72 Ų72123.8 Ų123.874%0.74271%0.714SS**  trans-53144.6-165.800000117.1
468N44Very low36.4Very low170 Ų170125 Ų12591%0.90973%0.732SS**  trans61.263.7147.5-13664000119.2
469R37.5Very low35.9Very low228 Ų228123.1 Ų123.186%0.8674%0.74SS**  trans-137.9144.1156.3-67.4-171176.8-177.7-0.4112.3
470P35Very low35.3Very low128 Ų128124.2 Ų124.283%0.83175%0.746SS**PPolyproline II helixtrans-73134.1176.829.1-32.6000111.4
471V36.3Very low34.4Very low113 Ų113131 Ų13169%0.68576%0.762SS**PPolyproline II helixtrans-95.6127.5178179.20000109.8V473V471-V473 HydrophobicContact CG1-CG2 4.01Å
472Q31.9Very low33.9Very low168 Ų168133.3 Ų133.379%0.78577%0.769SS**PPolyproline II helixtrans-95.3131.7168.9-75.3179.7-9.700109.7
473V32Very low33.4Very low122 Ų122136.4 Ų136.474%0.73978%0.782SS**  trans-124.6119.2175.4-171.80000109.1V471V471-V473 HydrophobicContact CG1-CG2 4.01Å
474A27.2Very low32.9Very low101 Ų101140.7 Ų140.784%0.83580%0.801SS**PPolyproline II helixtrans-94.4128.417300000110.1
475M24.9Very low32.1Very low186 Ų186140.3 Ų140.392%0.91681%0.805SS**PPolyproline II helixtrans-89118.3174.9-70.5-92-158.100109.4
476A28.7Very low31.4Very low88 Ų88142.4 Ų142.473%0.72781%0.809SS**PPolyproline II helixtrans-97.5136.1165.200000109.6V478A476-V478 PolarHBondContact O-N 3.47Å
477P27.6Very low30.7Very low129 Ų129140.8 Ų140.884%0.83881%0.81SS**PPolyproline II helixtrans-76.6124.7179.929.3-31.1000110.9
478V29.5Very low30.3Very low133 Ų133144.2 Ų144.281%0.80681%0.811SS**PPolyproline II helixtrans-84117.1169.3169.10000108.7A476A476-V478 PolarHBondContact O-N 3.47Å
479A26.7Very low29.5Very low98 Ų98143.5 Ų143.581%0.8181%0.807SS**  trans-82.4115.2170.600000109.8
480T29.2Very low29.1Very low125 Ų125136.3 Ų136.377%0.76780%0.804SS**  trans-80.6113.717149.10000109.8
481R25.7Very low28.8Very low239 Ų239139.9 Ų139.990%0.90281%0.809SS**  trans-102.6114.9167.8-151.5-177.9-176.6176.31.8108.5
482I30.6Very low28.5Very low145 Ų145139.2 Ų139.274%0.74482%0.816SS**  trans-88.5129.1175.6-55165.6000106.8
483D27.5Very low28.3Very low153 Ų153137.5 Ų137.582%0.81882%0.817SS**  trans-161.7131.7149.8-93.5-34.3000111.8
484N30Very low28.1Very low149 Ų149140.3 Ų140.380%0.79782%0.822SS**  trans-76138.9173.3-81.2-28.2000110.6
485T27.7Very low28.2Very low149 Ų149140.9 Ų140.991%0.91481%0.814SS**  trans173.1150.1131.239.30000112.4
486V30.6Very low28.3Very low131 Ų131138.3 Ų138.379%0.79481%0.809SS**  trans-68.7135.8-175.7170.70000112.8
487T26.2Very low28.4Very low129 Ų129138.9 Ų138.979%0.79180%0.804SS**  170.7151.8124.7300000113.7
488L27.6Very low28.4Very low145 Ų145140.2 Ų140.276%0.75980%0.803SS**  trans-9149.1170.4-89.681.7000123.4
489D27.1Very low28.3Very low154 Ų154142.4 Ų142.482%0.82480%0.804SS**  trans71.6133.6144.6-67.9-16.8000121.7
490G28.1Very low28.6Very low77 Ų77150.1 Ų150.179%0.79482%0.823SS**  trans129.6112.2145.700000116.7
491Q30.3Very low28.5Very low203 Ų203151.4 Ų151.495%0.94983%0.826SS**  trans-46.8145.2158-74162.5-98.100112.5
492A28.7Very low28.7Very low99 Ų99146.8 Ų146.882%0.81882%0.822SS**  -171.7128.8121.900000111.8
493V28.8Very low28.6Very low133 Ų133146.9 Ų146.981%0.80683%0.827SS**  trans-70.5136.9160169.30000107.7V495V493-V495 HydrophobicContact CG1-CG2 4.29Å
494E28.2Very low28.7Very low181 Ų181146.5 Ų146.585%0.84683%0.827SS**  trans-141.4120.9151.9-141.9175.5-164.900112.2
495V28Very low28.6Very low112 Ų112146.4 Ų146.468%0.67983%0.829SS**  trans-83.4128.9171.6169.80000106.7V493 T497V493-V495 HydrophobicContact CG1-CG2 4.29Å; V495-T497 HydrophobicContact CG1-CG2 4.2Å
496V28.1Very low28.6Very low132 Ų132146.2 Ų146.280%0.882%0.823SS**  trans-132.8123.4155.8-178.60000110.1
497T29.7Very low28.5Very low101 Ų101147.3 Ų147.362%0.6283%0.826SS**  trans-84.1140.3-176.141.70000113.1V495V495-T497 HydrophobicContact CG1-CG2 4.2Å
498L28Very low28.7Very low156 Ų156148.7 Ų148.782%0.81783%0.828SS**  trans54.3152.1130-74.5155.2000123.3
499E27Very low28.8Very low179 Ų179149 Ų14984%0.83683%0.834SS**  trans82.4124.3161.8-45.7-155.6124.400114.6
500Q33.3Very low28.9Very low261 Ų261148.5 Ų148.5100%1.2284%0.835SS**  cis-154.4040.7-167.1166.361.700111.9

Retrieved 500 of 500 residues in 125.2 ms (Link to these results)