A0A087X6H1_POEFO Loading...

Doublesex and mab-3 related transcription factor 2a

AlphaFold DB , UniProt , Accession A0A087X6H1, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 501 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
1A41.4Very low42.4Very low146 Ų146165.7 Ų165.7100%1.20787%0.87SS**  092.7000000107.6
2E42.4Very low41.8Very low188 Ų188162.7 Ų162.788%0.87986%0.855SS**  cis-134.9133.51.3-70.8169.4146.100108.9
3E42.9Very low41.9Very low196 Ų196161.2 Ų161.292%0.91686%0.856SS**  trans-106.2131163.3-68.5174.3123.400104.7
4E53.6Low41.9Very low187 Ų187161.6 Ų161.687%0.87485%0.851SS**  trans-132.3133.8167.7-70.7-159.3139.100109.4
5D42Very low41.6Very low162 Ų162158 Ų15887%0.86684%0.844SS**  trans-65.8146.7179.8-76.6-65.4000112.3
6M37.1Very low41.4Very low190 Ų190159.3 Ų159.394%0.93685%0.85SS**  trans-118.879.5158.6-170.21676300108.6
7A43.7Very low41.1Very low70 Ų70161.4 Ų161.458%0.57985%0.854SS**  trans-68.5149-17800000112.8
8D38.3Very low41Very low156 Ų156157.7 Ų157.783%0.83485%0.85SS**  trans-62144.3173.4-75.6-63.8000112.4
9F42.1Very low40.7Very low186 Ų186159.9 Ų159.982%0.81685%0.854SS**  trans-128.881.8164.6-85-84.9000109.7
10E40.9Very low40.4Very low189 Ų189157.1 Ų157.188%0.88385%0.848SS**  trans-61133.4152.4-66.3-168.8119.100108.3
11I41.6Very low40.3Very low153 Ų153155.8 Ų155.879%0.78584%0.84SS**  trans-103.8111.1175-63.5178.6000107.8
12D35.7Very low40Very low129 Ų129157.6 Ų157.669%0.6982%0.824SS**  trans-59.2148.9-178.4-17312.4000112.7E14D12-E14 PolarHBondContact OD1-N 3.44Å; D12-E14 VanDerWaalsContact OD1-N 3.16Å
13V42.6Very low40.2Very low143 Ų143155.6 Ų155.687%0.86782%0.818SS**  trans-121.122.5-175.8-166.10000111.1
14E42.3Very low40.7Very low168 Ų168151 Ų15179%0.78581%0.806SS**  trans-125.562.3179.2-157.1155.4-159.800113.8D12D12-E14 PolarHBondContact OD1-N 3.44Å; D12-E14 VanDerWaalsContact OD1-N 3.16Å
15S37.6Very low39.7Very low107 Ų107149.3 Ų149.375%0.74880%0.798SS**  trans-153.795.2166.3-82.10000112.9
16L38.7Very low39.2Very low178 Ų178148.4 Ų148.493%0.93279%0.793SS**  trans169.367.5145.8-94.6167.6000112.7
17E35.9Very low39Very low196 Ų196145.2 Ų145.292%0.91679%0.789SS**  trans-137.3147.6153.2-76.6-154.9138.200110.5
18A40.1Very low38.7Very low95 Ų95149.6 Ų149.679%0.78580%0.8SS**  trans62.3109.8170.800000119.8
19E34.6Very low38.4Very low199 Ų199148.7 Ų148.793%0.9380%0.804SS**  -129.8155116.3-81.5-141.892.500109.2
20S35.6Very low38Very low104 Ų104145.3 Ų145.373%0.72780%0.802SS**  trans-100.3-167.1177.6-49.50000109.7
21D36.9Very low37.7Very low129 Ų129142.4 Ų142.469%0.6980%0.803SS**  cis-154.3-179.9-2.3-141.4-53.7000108
22E35.3Very low37.2Very low185 Ų185146.5 Ų146.586%0.86481%0.808SS**  trans167.2130.9145.7-84.4-118.8106.700111.4
23L46.4Very low37.5Very low146 Ų146146.6 Ų146.676%0.76482%0.816SS**  trans-152170.4179.8-89174.8000107.1
24P53.2Low36.9Very low100 Ų100142.9 Ų142.965%0.64981%0.807SS**  cis-115.3-143.312.715.912.3000111
25E33.5Very low36.5Very low150 Ų150141.4 Ų141.470%0.70182%0.815SS**  cis-152.5179.212.3-114.5-37.7-23.100112.1
26D31.1Very low36.5Very low143 Ų143140.5 Ų140.577%0.76581%0.814SS**  trans57.6101.1153.3-80.2-33.5000118.8
27S32.5Very low36.6Very low124 Ų124137.5 Ų137.587%0.86781%0.805SS**  -172.6138.397.2-164.80000112.7
28M37.6Very low36.5Very low162 Ų162136.2 Ų136.280%0.79880%0.803SS**  trans-90.6126.4-175.1-177.288.178.400112.5
29C32.1Very low36.1Very low137 Ų137135 Ų13593%0.92680%0.799SS**  trans-154.585.1155.1-1090000113.5
30C34.4Very low36.1Very low114 Ų114135 Ų13577%0.7780%0.799SS**  trans-92.4133.4161.7-77.10000110.2
31S34Very low36.1Very low128 Ų128137.3 Ų137.390%0.89580%0.803SS**  trans-157.4131156.1-87.40000112.1
32R31Very low36.4Very low240 Ų240139.3 Ų139.391%0.90681%0.814SS**  trans-120.1153.6161.9-97.3-179.664.7-162.7-2.4107.8
33P42.2Very low36.5Very low130 Ų130133.8 Ų133.884%0.84481%0.807SS**  trans-81.2154.3-158.931.9-37.7000114.3
34G30.1Very low36.2Very low66 Ų66135.2 Ų135.268%0.6882%0.815SS**  trans-174.3139.6165.800000113.3
35S33.3Very low35.5Very low136 Ų136133.7 Ų133.795%0.95182%0.818SS**  trans72.7151.6167.7-52.80000118.6
36A38.1Very low35.7Very low88 Ų88134.9 Ų134.973%0.72783%0.829SS**  trans-132.7154.8179.900000111
37P41.5Very low36.1Very low115 Ų115130.8 Ų130.875%0.74782%0.821SS**  -111.5155.5128.3-5.126.1000109.6
38I33.9Very low36.5Very low170 Ų170128.9 Ų128.987%0.87282%0.821SS**  cis72.9120.247.2-57.3173.5000112.4
39G31.4Very low36.7Very low68 Ų68131.3 Ų131.370%0.70183%0.826SS**  trans86.3152.4178.900000114
40E34.2Very low37.1Very low200 Ų200127.7 Ų127.794%0.93581%0.812SS**  cis-139.5166.1-7-66.5-172.9-131.900110.3
41D36.6Very low37.6Very low153 Ų153130.4 Ų130.482%0.81882%0.819SS**  trans-83.1146.4-174.9-174.7-153.2000111.9
42D41.6Very low37.9Very low170 Ų170127.8 Ų127.891%0.90981%0.812SS**  trans-174.2119.7151.4-111.2-27000108.4
43G38.4Very low39Very low70 Ų70126.3 Ų126.372%0.72281%0.813SS**  trans-129.7144.7-178.800000112.2
44D40.2Very low39.3Very low176 Ų176126.3 Ų126.394%0.94181%0.813SS**  trans-139.7151.1160.4-169.9-106.4000108.8
45G37.5Very low39.8Very low68 Ų68126.4 Ų126.470%0.70181%0.814SS**  trans-177.8138.5-177.500000116
46D38.7Very low40.6Very low175 Ų175125.9 Ų125.994%0.93681%0.807SS**  trans-154.2147.2171.9-172.461.9000108.4
47G39.8Very low41.3Very low57 Ų57127.8 Ų127.859%0.58882%0.815SS**  cis-178.8127.7-7.200000113.1
48G40Very low41.3Very low84 Ų84125.7 Ų125.787%0.86682%0.815SS**  trans71.5173.9172.300000116.3
49K42.1Very low42Very low212 Ų212126 Ų12692%0.92282%0.817SS**  cis-171.7136.8-7.4-175.6176.7-178.2178.40106.2
50G39.6Very low42.6Very low61 Ų61128 Ų12863%0.62982%0.821SS**  cis-172.8-156.5-1.100000109.6
51D46.3Very low43.4Very low171 Ų171123.2 Ų123.291%0.91481%0.809SS**  trans67.2125163.1-59.9-66.7000121.4
52G38.6Very low43.8Very low73 Ų73118.7 Ų118.775%0.75380%0.799SS**  trans13545.1130.500000124.2
53K54.4Low44Very low209 Ų209117.6 Ų117.691%0.90979%0.793SS**  trans76143.7151.3-155.9169.8-175.2172.20118.4
54P49.5Very low44.5Very low130 Ų130120 Ų12084%0.84479%0.786SS**  trans-94.2156.1-170.536.4-36.8000116
55G39.8Very low45.2Very low68 Ų68121.5 Ų121.570%0.70178%0.778SS**  trans-147153.8166.600000110.9
56P50.5Low45.9Very low125 Ų125127.1 Ų127.181%0.81278%0.783SS**  trans-82.4134.5-160.430.4-35.8000115.9
57S52.1Low46.7Very low128 Ų128125 Ų12590%0.89577%0.771SS**  trans43.374.3139.5-53.80000118.5
58G41.5Very low47.9Very low72 Ų72127.7 Ų127.774%0.74278%0.781SS**  trans-123.116.3178.800000116.8S60G58-S60 PolarHBondContact O-N 3.38Å; G58-S60 VanDerWaalsContact O-N 3.09Å
59L48.9Very low50.1Low175 Ų175134.7 Ų134.792%0.91678%0.781SS**  trans-77.890.2-171.9-68.6176.2000114
60S45.2Very low52.3Low112 Ų112128.9 Ų128.978%0.78376%0.763SS**  trans-176.4161.2148.1-93.30000115.9G58G58-S60 PolarHBondContact O-N 3.38Å; G58-S60 VanDerWaalsContact O-N 3.09Å
61S51Low54.9Low98 Ų98129.9 Ų129.969%0.68576%0.759SS**  trans7624.7161-560000119.3
62G44.5Very low57.2Low59 Ų59128 Ų12861%0.60874%0.743SS**SBendtrans-63.3-49.4166.800000113.3
63D45.2Very low60Low146 Ų146125 Ų12578%0.78171%0.71SS**SBendtrans-117.457-163.4-156.40.2000114.8
64Q49.7Very low62.1Low122 Ų122116.7 Ų116.757%0.5768%0.68SS**  trans-118.415175.9-81.4-86.42200112.3
65R53.4Low64.4Low207 Ų207112.4 Ų112.478%0.78165%0.647SS**SBendtrans-106.68.2-163-74.1-168.7-75.1177.7-4.1116.6
66K52Low67.1Low186 Ų186109.2 Ų109.281%0.80961%0.614SS**SBendtrans-130.8-0.5170.8-78.593.7-175.9-69.80116S68K66-S68 PolarHBondContact O-N 3.37Å
67L57.4Low69.4Low130 Ų130111.2 Ų111.268%0.68161%0.605SS**  trans-67.3106.2173.2-64.3-179.1000110.2R69L67-R69 PolarHBondContact O-N 3.09Å
68S64.4Low71.5Confident114 Ų114106.9 Ų106.980%0.79757%0.572SS**  trans-6499.3-176.742.90000110.6K66 T70K66-S68 PolarHBondContact O-N 3.37Å; S68-T70 PolarHBondContact O-N 3.03Å
69R86.8Confident74.2Confident230 Ų230106.5 Ų106.587%0.86855%0.551SS**  trans-56.9107.1-172.1-64.5-172.7-176.6-81.94.1111.3L67L67-R69 PolarHBondContact O-N 3.09Å
70T86.7Confident76.5Confident90 Ų90101.5 Ų101.555%0.55254%0.542SS*.  trans-49.8128.8-179.6-49.90000111.1S68S68-T70 PolarHBondContact O-N 3.03Å
71P94.1Very high79Confident82 Ų8299 Ų9953%0.53252%0.522SS..  trans-61.5140.8-177.723.5-33.3000111.4L85P71-L85 HydrophobicContact CB-CB 4.17Å; P71-L85 HydrophobicContact CB-CD2 4.05Å; P71-L85 HydrophobicContact CG-CB 4.28Å; P71-L85 HydrophobicContact CG-CD2 4.43Å; P71-L85 VanDerWaalsContact O-CB 3.26Å; P71-L85 WeakPolarHBondContact O-CB 3.36Å; P71-L85 PolarHBondContact O-N 3.06Å
72K96.1Very high81.2Confident132 Ų13298.9 Ų98.957%0.57452%0.516SS*.BIsolated β-bridgetrans-108.8150.2-178.6-71.7171.9169.3-1730110.7A74 V82 S83K72-A74 PolarHBondContact O-N 3.23Å; K72-V82 HydrophobicContact CD-CG1 3.75Å; K72-V82 HydrophobicContact CG-CG1 4.29Å; K72-S83 CarbonylContact C-O 3.29Å; K72-S83 WeakPolarHBondContact CA-O 3.49Å
73C97.3Very high83.6Confident10 Ų1097.2 Ų97.27%0.06850%0.495CS..  trans-68.8116.4178-173.90000111.1C76 R77 S83 L85 H88C73-C76 HydrophobicContact CB-CB 4.1Å; C73-R77 WeakPolarHBondContact O-CB 3.42Å; C73-R77 PolarHBondContact O-N 3.34Å; C73-S83 PolarHBondContact N-O 3.43Å; C73-L85 HydrophobicContact CB-CD1 4.47Å; C73-H88 VanDerWaalsContact SG-CD2 3.54Å
74A97.2Very high86Confident35 Ų3593.9 Ų93.929%0.28948%0.483SS..Hα-helixtrans-64-40.7179.600000112.6K72 R77 N78 V105K72-A74 PolarHBondContact O-N 3.23Å; A74-R77 PolarHBondContact O-N 3.16Å; A74-N78 VanDerWaalsContact O-CG 3.22Å; A74-N78 PolarHBondContact O-N 3.45Å; A74-N78 VanDerWaalsContact O-N 3.15Å; A74-N78 PolarHBondContact O-OD1 3.08Å; A74-V105 HydrophobicContact CB-CG1 3.88Å; A74-V105 HydrophobicContact CB-CG2 4.07Å
75R97.8Very high88.1Confident40 Ų4091.8 Ų91.815%0.15148%0.475CS..Hα-helixtrans-59.7-52.1177.7-77173164.5-81.12.4111.4R77 N78 H79 W94 R95 C97R75-R77 VanDerWaalsContact C-N 3.33Å; R75-R77 PolarHBondContact O-N 2.72Å; R75-N78 WeakPolarHBondContact O-CB 3.4Å; R75-N78 PolarHBondContact O-N 2.97Å; R75-H79 PolarHBondContact O-CD2 2.99Å; R75-H79 VanDerWaalsContact O-CD2 3.31Å; R75-W94 HydrophobicContact CB-CB 4.37Å; R75-W94 WeakPolarHBondContact CD-O 3.39Å; R75-W94 PolarHBondContact NH1-O 3.49Å; R75-R95 PolarHBondContact NE-O 2.82Å; R75-R95 VanDerWaalsContact NE-O 3.11Å; R75-R95 PolarHBondContact NH1-O 3.2Å; R75-R95 VanDerWaalsContact NH1-O 3.08Å; R75-R95 PolarHBondContact NH2-O 3.2Å; R75-C97 PolarHBondContact NH1-O 3.37Å
76C98Very high90Very high0 Ų091.3 Ų91.30%048%0.479CS..Hα-helixtrans-59.1-42.6177.5-56.80000112.8C73 N78 H79 G80 V81 H88 W94C73-C76 HydrophobicContact CB-CB 4.1Å; C76-N78 PolarHBondContact O-N 2.81Å; C76-H79 CarbonylContact O-C 3.53Å; C76-H79 VanDerWaalsContact O-C 3.29Å; C76-H79 WeakPolarHBondContact O-CA 3.39Å; C76-H79 PolarHBondContact O-N 3.36Å; C76-G80 PolarHBondContact O-N 2.98Å; C76-V81 CarbonylContact C-O 3.49Å; C76-V81 HydrophobicContact CB-CB 4.48Å; C76-V81 WeakPolarHBondContact CB-O 3.09Å; C76-V81 PolarHBondContact O-N 2.95Å; C76-V81 VanDerWaalsContact O-O 3.06Å; C76-H88 PolarHBondContact SG-NE2 3.18Å; C76-W94 HydrophobicContact CB-CE3 3.98Å; C76-W94 HydrophobicContact CB-CZ3 3.87Å; C76-W94 VanDerWaalsContact SG-CE3 3.5Å
77R97.6Very high92Very high167 Ų16785.2 Ų85.263%0.6347%0.468SS*.Hα-helixtrans-60.5-34.2179.9-170.6-164.566.7127.79.5112C73 A74 R75 H79 G80 V81C73-R77 WeakPolarHBondContact O-CB 3.42Å; C73-R77 PolarHBondContact O-N 3.34Å; A74-R77 PolarHBondContact O-N 3.16Å; R75-R77 VanDerWaalsContact C-N 3.33Å; R75-R77 PolarHBondContact O-N 2.72Å; R77-H79 PolarHBondContact O-N 3.44Å; R77-G80 PolarHBondContact O-N 3.31Å; R77-V81 PolarHBondContact N-O 3.43Å; R77-V81 VanDerWaalsContact N-O 3.16Å
78N97.7Very high93.9Very high37 Ų3780.4 Ų80.420%0.19844%0.442CS..Hα-helixtrans-68.3-17174.7-64-8.8000113.3A74 R75 C76 N101 V105A74-N78 VanDerWaalsContact O-CG 3.22Å; A74-N78 PolarHBondContact O-N 3.45Å; A74-N78 VanDerWaalsContact O-N 3.15Å; A74-N78 PolarHBondContact O-OD1 3.08Å; R75-N78 WeakPolarHBondContact O-CB 3.4Å; R75-N78 PolarHBondContact O-N 2.97Å; C76-N78 PolarHBondContact O-N 2.81Å; N78-N101 HydrophobicContact CB-CB 4.05Å; N78-N101 VanDerWaalsContact ND2-C 3.3Å; N78-N101 PolarHBondContact ND2-O 2.91Å; N78-V105 WeakPolarHBondContact ND2-CG2 3.49Å
79H98.1Very high95.3Very high65 Ų6583.2 Ų83.230%0.30144%0.44SS..THydrogen-bonded Turntrans-111.426.8175.1-63.9-80.9000112R75 C76 R77 V81 W94 C97 C102R75-H79 PolarHBondContact O-CD2 2.99Å; R75-H79 VanDerWaalsContact O-CD2 3.31Å; C76-H79 CarbonylContact O-C 3.53Å; C76-H79 VanDerWaalsContact O-C 3.29Å; C76-H79 WeakPolarHBondContact O-CA 3.39Å; C76-H79 PolarHBondContact O-N 3.36Å; R77-H79 PolarHBondContact O-N 3.44Å; H79-V81 PolarHBondContact O-N 3.45Å; H79-V81 VanDerWaalsContact O-N 3.16Å; H79-W94 HydrophobicContact CB-CD2 4.06Å; H79-W94 HydrophobicContact CB-CG 4.39Å; H79-W94 HydrophobicContact CB-CZ2 3.81Å; H79-W94 AromaticContact CD2-CD1 3.23Å; H79-W94 AromaticContact CD2-CD2 3.93Å; H79-W94 AromaticContact CD2-CG 3.39Å; H79-W94 AromaticContact CD2-NE1 3.66Å; H79-W94 AromaticContact CE1-CD1 3.76Å; H79-W94 AromaticContact CG-CD1 3.49Å; H79-W94 VanDerWaalsContact CG-CD1 3.49Å; H79-W94 AromaticContact CG-CE2 3.81Å; H79-W94 AromaticContact CG-CG 3.93Å; H79-W94 AromaticContact CG-NE1 3.4Å; H79-W94 AromaticContact ND1-CD1 3.81Å; H79-W94 AromaticContact ND1-NE1 3.72Å; H79-W94 AromaticContact NE2-CD1 3.44Å; H79-W94 AromaticContact NE2-CG 3.88Å; H79-C97 VanDerWaalsContact CE1-SG 3.58Å; H79-C97 PolarHBondContact NE2-SG 3.08Å; H79-C97 VanDerWaalsContact NE2-SG 3.42Å; H79-C102 PolarHBondContact NE2-SG 2.9Å
80G97.3Very high95.7Very high70 Ų7080.8 Ų80.872%0.72243%0.431SS*.THydrogen-bonded Turntrans76.3-8.2174.400000116.4C76 R77C76-G80 PolarHBondContact O-N 2.98Å; R77-G80 PolarHBondContact O-N 3.31Å
81V97Very high96.2Very high59 Ų5984 Ų8436%0.35844%0.437SS..  trans-100.9129.7-175.31750000111.7C76 R77 H79 W94C76-V81 CarbonylContact C-O 3.49Å; C76-V81 HydrophobicContact CB-CB 4.48Å; C76-V81 WeakPolarHBondContact CB-O 3.09Å; C76-V81 PolarHBondContact O-N 2.95Å; C76-V81 VanDerWaalsContact O-O 3.06Å; R77-V81 PolarHBondContact N-O 3.43Å; R77-V81 VanDerWaalsContact N-O 3.16Å; H79-V81 PolarHBondContact O-N 3.45Å; H79-V81 VanDerWaalsContact O-N 3.16Å; V81-W94 HydrophobicContact CB-CH2 3.73Å; V81-W94 HydrophobicContact CB-CZ3 4.04Å; V81-W94 HydrophobicContact CG1-CH2 4.25Å; V81-W94 HydrophobicContact CG1-CZ3 4.31Å; V81-W94 HydrophobicContact CG2-CH2 3.7Å; V81-W94 HydrophobicContact CG2-CZ2 4.46Å; V81-W94 HydrophobicContact CG2-CZ3 4.49Å
82V96.1Very high96.4Very high95 Ų9580.6 Ų80.658%0.57642%0.416SS*.  trans-93.7109.6177.9178.50000110.2K72K72-V82 HydrophobicContact CD-CG1 3.75Å; K72-V82 HydrophobicContact CG-CG1 4.29Å
83S95.6Very high96.5Very high24 Ų2484 Ų8417%0.16843%0.425CS..  trans-117.7137.3173-51.20000110.7K72 C73K72-S83 CarbonylContact C-O 3.29Å; K72-S83 WeakPolarHBondContact CA-O 3.49Å; C73-S83 PolarHBondContact N-O 3.43Å
84C95.3Very high96.5Very high76 Ų7685.5 Ų85.551%0.51443%0.429SS..BIsolated β-bridgetrans-66.2145.5169.1-64.90000110.2H88C84-H88 WeakPolarHBondContact O-CB 3.36Å
85L94.8Very high96.5Very high79 Ų7989.8 Ų89.841%0.41444%0.438SS..SBendtrans-80-26-173.5-172.662.3000113.7P71 C73 G87 H88P71-L85 HydrophobicContact CB-CB 4.17Å; P71-L85 HydrophobicContact CB-CD2 4.05Å; P71-L85 HydrophobicContact CG-CB 4.28Å; P71-L85 HydrophobicContact CG-CD2 4.43Å; P71-L85 VanDerWaalsContact O-CB 3.26Å; P71-L85 WeakPolarHBondContact O-CB 3.36Å; P71-L85 PolarHBondContact O-N 3.06Å; C73-L85 HydrophobicContact CB-CD1 4.47Å; L85-G87 PolarHBondContact O-N 3.16Å; L85-H88 PolarHBondContact O-N 3.25Å
86K93.4Very high96.4Very high197 Ų19793.6 Ų93.686%0.85746%0.461SS*.THydrogen-bonded Turntrans-59.4126.3178.6-172.4177179.4-177.80109.9H88K86-H88 PolarHBondContact O-N 3.3Å
87G94.2Very high96.4Very high57 Ų5795.3 Ų95.359%0.58847%0.473SS*.THydrogen-bonded Turntrans71.3-27.6-175.400000115.7L85 K89L85-G87 PolarHBondContact O-N 3.16Å; G87-K89 VanDerWaalsContact C-N 3.34Å; G87-K89 PolarHBondContact O-N 3Å
88H96.6Very high96.5Very high29 Ų2995 Ų9513%0.13448%0.479CS..THydrogen-bonded Turntrans-70.5-15.2-166.3-17882.2000116C73 C76 C84 L85 K86 R90 F91 C92C73-H88 VanDerWaalsContact SG-CD2 3.54Å; C76-H88 PolarHBondContact SG-NE2 3.18Å; C84-H88 WeakPolarHBondContact O-CB 3.36Å; L85-H88 PolarHBondContact O-N 3.25Å; K86-H88 PolarHBondContact O-N 3.3Å; H88-R90 VanDerWaalsContact C-N 3.27Å; H88-R90 PolarHBondContact O-N 3.33Å; H88-F91 CarbonylContact O-C 3.59Å; H88-F91 PolarHBondContact O-N 2.9Å; H88-F91 VanDerWaalsContact O-N 3.11Å; H88-C92 WeakPolarHBondContact NE2-CA 3.48Å; H88-C92 WeakPolarHBondContact NE2-CB 3.48Å; H88-C92 PolarHBondContact O-N 2.92Å
89K94.5Very high96.5Very high173 Ų17395.3 Ų95.375%0.75248%0.483SS*.THydrogen-bonded Turntrans-52.8-40.9-178.8-177.4178.7-176.4-75.30113.2G87G87-K89 VanDerWaalsContact C-N 3.34Å; G87-K89 PolarHBondContact O-N 3Å
90R95.4Very high96.5Very high180 Ų18095.6 Ų95.668%0.67950%0.497SS*.THydrogen-bonded Turntrans-78.3-35.8179.4-65.1-164.9-64.1-116.36.6112.5H88 R95H88-R90 VanDerWaalsContact C-N 3.27Å; H88-R90 PolarHBondContact O-N 3.33Å; R90-R95 PolarHBondContact O-NH2 3.21Å
91F96.5Very high96.6Very high156 Ų15696.7 Ų96.768%0.68449%0.486SS*.SBendtrans-97.521.3-174.2-49.1-66.6000113.8H88 R93H88-F91 CarbonylContact O-C 3.59Å; H88-F91 PolarHBondContact O-N 2.9Å; H88-F91 VanDerWaalsContact O-N 3.11Å; F91-R93 PolarHBondContact O-N 3.36Å
92C97.4Very high96.6Very high12 Ų1293.9 Ų93.98%0.08147%0.469CS..  trans-78.2110.8177.8-177.30000110.5H88 W94 R95H88-C92 WeakPolarHBondContact NE2-CA 3.48Å; H88-C92 WeakPolarHBondContact NE2-CB 3.48Å; H88-C92 PolarHBondContact O-N 2.92Å; C92-W94 PolarHBondContact O-N 3.3Å; C92-R95 HydrophobicContact CB-CB 4.18Å; C92-R95 VanDerWaalsContact O-CB 3.29Å; C92-R95 WeakPolarHBondContact O-CB 3.38Å; C92-R95 PolarHBondContact O-N 3.49Å
93R97.8Very high96.7Very high202 Ų20294 Ų9476%0.76247%0.466SS*.THydrogen-bonded Turntrans-60.4-11.7177.2-168.8164.667-175.34.1114.4F91F91-R93 PolarHBondContact O-N 3.36Å
94W98Very high96.8Very high42 Ų4298.4 Ų98.416%0.15949%0.487CS..THydrogen-bonded Turntrans-119.523.1175.1-56.2-86.8000112.6R75 C76 H79 V81 C92 D96 C97R75-W94 HydrophobicContact CB-CB 4.37Å; R75-W94 WeakPolarHBondContact CD-O 3.39Å; R75-W94 PolarHBondContact NH1-O 3.49Å; C76-W94 HydrophobicContact CB-CE3 3.98Å; C76-W94 HydrophobicContact CB-CZ3 3.87Å; C76-W94 VanDerWaalsContact SG-CE3 3.5Å; H79-W94 HydrophobicContact CB-CD2 4.06Å; H79-W94 HydrophobicContact CB-CG 4.39Å; H79-W94 HydrophobicContact CB-CZ2 3.81Å; H79-W94 AromaticContact CD2-CD1 3.23Å; H79-W94 AromaticContact CD2-CD2 3.93Å; H79-W94 AromaticContact CD2-CG 3.39Å; H79-W94 AromaticContact CD2-NE1 3.66Å; H79-W94 AromaticContact CE1-CD1 3.76Å; H79-W94 AromaticContact CG-CD1 3.49Å; H79-W94 VanDerWaalsContact CG-CD1 3.49Å; H79-W94 AromaticContact CG-CE2 3.81Å; H79-W94 AromaticContact CG-CG 3.93Å; H79-W94 AromaticContact CG-NE1 3.4Å; H79-W94 AromaticContact ND1-CD1 3.81Å; H79-W94 AromaticContact ND1-NE1 3.72Å; H79-W94 AromaticContact NE2-CD1 3.44Å; H79-W94 AromaticContact NE2-CG 3.88Å; V81-W94 HydrophobicContact CB-CH2 3.73Å; V81-W94 HydrophobicContact CB-CZ3 4.04Å; V81-W94 HydrophobicContact CG1-CH2 4.25Å; V81-W94 HydrophobicContact CG1-CZ3 4.31Å; V81-W94 HydrophobicContact CG2-CH2 3.7Å; V81-W94 HydrophobicContact CG2-CZ2 4.46Å; V81-W94 HydrophobicContact CG2-CZ3 4.49Å; C92-W94 PolarHBondContact O-N 3.3Å; W94-D96 PolarHBondContact O-N 3.08Å; W94-D96 VanDerWaalsContact O-N 3.17Å; W94-C97 HydrophobicContact CB-CB 3.98Å; W94-C97 PolarHBondContact O-N 2.99Å
95R97.1Very high97Very high126 Ų12695.6 Ų95.648%0.47547%0.468SS..THydrogen-bonded Turntrans-47.4-44.4-179.5-175.3-154.4-67.3-1764.3111.4R75 R90 C92R75-R95 PolarHBondContact NE-O 2.82Å; R75-R95 VanDerWaalsContact NE-O 3.11Å; R75-R95 PolarHBondContact NH1-O 3.2Å; R75-R95 VanDerWaalsContact NH1-O 3.08Å; R75-R95 PolarHBondContact NH2-O 3.2Å; R90-R95 PolarHBondContact O-NH2 3.21Å; C92-R95 HydrophobicContact CB-CB 4.18Å; C92-R95 VanDerWaalsContact O-CB 3.29Å; C92-R95 WeakPolarHBondContact O-CB 3.38Å; C92-R95 PolarHBondContact O-N 3.49Å
96D97.1Very high97.1Very high119 Ų11994.9 Ų94.964%0.63647%0.466SS*.THydrogen-bonded Turntrans-11513.2-170.5-42.6-62.4000112.3W94 Q98W94-D96 PolarHBondContact O-N 3.08Å; W94-D96 VanDerWaalsContact O-N 3.17Å; D96-Q98 WeakPolarHBondContact O-CG 3.42Å; D96-Q98 PolarHBondContact O-N 3.01Å
97C98Very high97.3Very high36 Ų3689.4 Ų89.424%0.24344%0.444CS..  trans-63.9132.5177.1-174.80000111.5R75 H79 W94 C102R75-C97 PolarHBondContact NH1-O 3.37Å; H79-C97 VanDerWaalsContact CE1-SG 3.58Å; H79-C97 PolarHBondContact NE2-SG 3.08Å; H79-C97 VanDerWaalsContact NE2-SG 3.42Å; W94-C97 HydrophobicContact CB-CB 3.98Å; W94-C97 PolarHBondContact O-N 2.99Å; C97-C102 WeakPolarHBondContact O-CB 3.48Å
98Q98.2Very high97.5Very high161 Ų16195 Ų9575%0.75245%0.447SS*.  trans-105.214.5-174.8-52.3-175.515.600113.6D96 L103D96-Q98 WeakPolarHBondContact O-CG 3.42Å; D96-Q98 PolarHBondContact O-N 3.01Å; Q98-L103 HydrophobicContact CB-CD2 4.44Å; Q98-L103 WeakPolarHBondContact O-CD1 3.44Å; Q98-L103 WeakPolarHBondContact O-CG 3.27Å
99C98.4Very high97.6Very high44 Ų4498.9 Ų98.930%0.29747%0.465SS..SBendtrans-62.9151.3175.476.90000110.9N101 C102 L103C99-N101 PolarHBondContact O-N 3.2Å; C99-N101 VanDerWaalsContact O-N 3.1Å; C99-C102 WeakPolarHBondContact O-CA 3.43Å; C99-C102 PolarHBondContact O-N 3.22Å; C99-C102 VanDerWaalsContact SG-SG 3.66Å; C99-L103 PolarHBondContact O-N 3.48Å
100A98.2Very high97.8Very high70 Ų7098.5 Ų98.558%0.57946%0.459SS*.Hα-helixtrans-50.2-42.7-175.500000113.4C102 L103 L104A100-C102 VanDerWaalsContact C-N 3.3Å; A100-C102 PolarHBondContact O-N 3.1Å; A100-L103 PolarHBondContact O-N 3.42Å; A100-L104 WeakPolarHBondContact O-CG 3.46Å; A100-L104 PolarHBondContact O-N 3.18Å
101N98.4Very high97.9Very high94 Ų9492.9 Ų92.950%0.50345%0.445SS..Hα-helixtrans-61.1-35.6176.8-69.7-30.3000113.2N78 C99 V105N78-N101 HydrophobicContact CB-CB 4.05Å; N78-N101 VanDerWaalsContact ND2-C 3.3Å; N78-N101 PolarHBondContact ND2-O 2.91Å; C99-N101 PolarHBondContact O-N 3.2Å; C99-N101 VanDerWaalsContact O-N 3.1Å; N101-V105 WeakPolarHBondContact O-CG2 3.34Å; N101-V105 PolarHBondContact O-N 3.35Å
102C98.2Very high98Very high0 Ų090.6 Ų90.60%044%0.437CS..Hα-helixtrans-81.3-33.7177.7-76.10000112.5H79 C97 C99 A100 L104 V105 V106H79-C102 PolarHBondContact NE2-SG 2.9Å; C97-C102 WeakPolarHBondContact O-CB 3.48Å; C99-C102 WeakPolarHBondContact O-CA 3.43Å; C99-C102 PolarHBondContact O-N 3.22Å; C99-C102 VanDerWaalsContact SG-SG 3.66Å; A100-C102 VanDerWaalsContact C-N 3.3Å; A100-C102 PolarHBondContact O-N 3.1Å; C102-L104 VanDerWaalsContact C-N 3.35Å; C102-V105 WeakPolarHBondContact O-CB 3.38Å; C102-V105 PolarHBondContact O-N 3.37Å; C102-V105 VanDerWaalsContact O-N 3.13Å; C102-V106 PolarHBondContact O-N 2.9Å; C102-V106 VanDerWaalsContact O-N 3.12Å
103L98.3Very high98Very high96 Ų9692.9 Ų92.950%0.50346%0.457SS..Hα-helixtrans-61-43.1169.8-63.1177000111.4Q98 C99 A100 V105 V106 E107Q98-L103 HydrophobicContact CB-CD2 4.44Å; Q98-L103 WeakPolarHBondContact O-CD1 3.44Å; Q98-L103 WeakPolarHBondContact O-CG 3.27Å; C99-L103 PolarHBondContact O-N 3.48Å; A100-L103 PolarHBondContact O-N 3.42Å; L103-V105 PolarHBondContact O-N 3.31Å; L103-V106 WeakPolarHBondContact O-CB 3.33Å; L103-V106 PolarHBondContact O-N 3.29Å; L103-E107 PolarHBondContact O-N 3.16Å
104L97.9Very high98Very high118 Ų11886.3 Ų86.362%0.61845%0.446SS*.Hα-helixtrans-61.4-26.1173.6-71.4171.8000113.6A100 C102 R108A100-L104 WeakPolarHBondContact O-CG 3.46Å; A100-L104 PolarHBondContact O-N 3.18Å; C102-L104 VanDerWaalsContact C-N 3.35Å; L104-R108 VanDerWaalsContact O-CB 3.24Å; L104-R108 WeakPolarHBondContact O-CB 3.35Å; L104-R108 PolarHBondContact O-N 3.15Å
105V97.6Very high98.1Very high17 Ų1789.8 Ų89.810%0.10346%0.464CS..Hα-helixtrans-75.3-38.7172.4168.50000111.2A74 N78 N101 C102 L103 Q109A74-V105 HydrophobicContact CB-CG1 3.88Å; A74-V105 HydrophobicContact CB-CG2 4.07Å; N78-V105 WeakPolarHBondContact ND2-CG2 3.49Å; N101-V105 WeakPolarHBondContact O-CG2 3.34Å; N101-V105 PolarHBondContact O-N 3.35Å; C102-V105 WeakPolarHBondContact O-CB 3.38Å; C102-V105 PolarHBondContact O-N 3.37Å; C102-V105 VanDerWaalsContact O-N 3.13Å; L103-V105 PolarHBondContact O-N 3.31Å; V105-Q109 WeakPolarHBondContact O-CB 3.33Å; V105-Q109 VanDerWaalsContact O-CG 3.27Å; V105-Q109 WeakPolarHBondContact O-CG 3.18Å; V105-Q109 PolarHBondContact O-N 3.36Å
106V97.8Very high98.1Very high63 Ų6387.1 Ų87.138%0.38246%0.462SS..Hα-helixtrans-64.4-49.6176.4175.40000110.8C102 L103 R108 Q109 R110C102-V106 PolarHBondContact O-N 2.9Å; C102-V106 VanDerWaalsContact O-N 3.12Å; L103-V106 WeakPolarHBondContact O-CB 3.33Å; L103-V106 PolarHBondContact O-N 3.29Å; V106-R108 VanDerWaalsContact C-N 3.34Å; V106-R108 PolarHBondContact O-N 2.93Å; V106-Q109 WeakPolarHBondContact O-CA 3.24Å; V106-Q109 WeakPolarHBondContact O-CB 3.42Å; V106-Q109 PolarHBondContact O-N 3.1Å; V106-R110 PolarHBondContact O-N 3.17Å
107E98.3Very high98.2Very high82 Ų8284.2 Ų84.238%0.38345%0.454SS..Hα-helixtrans-66.3-37.6-178.9-176.254.7-157.900111.9L103 Q109 R110 V111L103-E107 PolarHBondContact O-N 3.16Å; E107-Q109 VanDerWaalsContact C-N 3.3Å; E107-Q109 PolarHBondContact O-N 2.81Å; E107-R110 WeakPolarHBondContact O-CB 3.27Å; E107-R110 PolarHBondContact O-N 3.05Å; E107-R110 IonicContact OE1-CZ 3.01Å; E107-R110 IonicContact OE1-NE 2.75Å; E107-R110 PolarHBondContact OE1-NE 3.04Å; E107-R110 VanDerWaalsContact OE1-NE 3.15Å; E107-R110 IonicContact OE1-NH2 3.19Å; E107-R110 PolarHBondContact OE1-NH2 2.79Å; E107-R110 IonicContact OE2-CZ 3.31Å; E107-R110 IonicContact OE2-NE 2.76Å; E107-R110 PolarHBondContact OE2-NE 3.27Å; E107-R110 IonicContact OE2-NH2 2.76Å; E107-V111 WeakPolarHBondContact O-CG2 3Å; E107-V111 PolarHBondContact O-N 2.97Å
108R98.3Very high98.1Very high175 Ų17587 Ų8766%0.6647%0.466SS*.Hα-helixtrans-58.8-41.1170.2-178.7179.9-64.8-91.3-1.3112L104 V106 M112L104-R108 VanDerWaalsContact O-CB 3.24Å; L104-R108 WeakPolarHBondContact O-CB 3.35Å; L104-R108 PolarHBondContact O-N 3.15Å; V106-R108 VanDerWaalsContact C-N 3.34Å; V106-R108 PolarHBondContact O-N 2.93Å; R108-M112 HydrophobicContact CG-CG 4.5Å; R108-M112 HydrophobicContact CG-SD 4.08Å; R108-M112 WeakPolarHBondContact O-CB 3.32Å; R108-M112 VanDerWaalsContact O-CG 3.26Å; R108-M112 WeakPolarHBondContact O-CG 3.44Å; R108-M112 PolarHBondContact O-N 3.02Å
109Q97.7Very high98.1Very high111 Ų11188.1 Ų88.152%0.51946%0.463SS..Hα-helixtrans-66.2-39176.1-75.9172.4-3.800111.7V105 V106 E107 M112 A113V105-Q109 WeakPolarHBondContact O-CB 3.33Å; V105-Q109 VanDerWaalsContact O-CG 3.27Å; V105-Q109 WeakPolarHBondContact O-CG 3.18Å; V105-Q109 PolarHBondContact O-N 3.36Å; V106-Q109 WeakPolarHBondContact O-CA 3.24Å; V106-Q109 WeakPolarHBondContact O-CB 3.42Å; V106-Q109 PolarHBondContact O-N 3.1Å; E107-Q109 VanDerWaalsContact C-N 3.3Å; E107-Q109 PolarHBondContact O-N 2.81Å; Q109-M112 PolarHBondContact O-N 3.01Å; Q109-A113 WeakPolarHBondContact O-CB 3.43Å; Q109-A113 PolarHBondContact O-N 3.43Å
110R98.4Very high98.1Very high164 Ų16494.6 Ų94.662%0.61948%0.482SS*.Hα-helixtrans-61-49.2175.2-162.3-178.673.398.53.6111.8V106 E107 A113 A114V106-R110 PolarHBondContact O-N 3.17Å; E107-R110 WeakPolarHBondContact O-CB 3.27Å; E107-R110 PolarHBondContact O-N 3.05Å; E107-R110 IonicContact OE1-CZ 3.01Å; E107-R110 IonicContact OE1-NE 2.75Å; E107-R110 PolarHBondContact OE1-NE 3.04Å; E107-R110 VanDerWaalsContact OE1-NE 3.15Å; E107-R110 IonicContact OE1-NH2 3.19Å; E107-R110 PolarHBondContact OE1-NH2 2.79Å; E107-R110 IonicContact OE2-CZ 3.31Å; E107-R110 IonicContact OE2-NE 2.76Å; E107-R110 PolarHBondContact OE2-NE 3.27Å; E107-R110 IonicContact OE2-NH2 2.76Å; R110-A113 PolarHBondContact O-N 2.72Å; R110-A114 PolarHBondContact O-N 3.17Å; R110-A114 VanDerWaalsContact O-N 3.08Å
111V98.2Very high97.9Very high63 Ų6396 Ų9638%0.38248%0.477SS..Hα-helixtrans-62.5-44.5176.6173.70000111.6E107 A113 A114 Q115E107-V111 WeakPolarHBondContact O-CG2 3Å; E107-V111 PolarHBondContact O-N 2.97Å; V111-A113 PolarHBondContact O-N 2.91Å; V111-A114 PolarHBondContact O-N 3.43Å; V111-Q115 WeakPolarHBondContact O-CG 3.48Å; V111-Q115 PolarHBondContact O-N 3.13Å
112M98.4Very high97.8Very high107 Ų10796 Ų9653%0.52747%0.473SS..Hα-helixtrans-65.1-37.1177.4-73.8-178.570.200112.5R108 Q109 Q115 V116R108-M112 HydrophobicContact CG-CG 4.5Å; R108-M112 HydrophobicContact CG-SD 4.08Å; R108-M112 WeakPolarHBondContact O-CB 3.32Å; R108-M112 VanDerWaalsContact O-CG 3.26Å; R108-M112 WeakPolarHBondContact O-CG 3.44Å; R108-M112 PolarHBondContact O-N 3.02Å; Q109-M112 PolarHBondContact O-N 3.01Å; M112-Q115 PolarHBondContact O-N 2.76Å; M112-V116 WeakPolarHBondContact O-CB 3.44Å; M112-V116 VanDerWaalsContact O-CG2 3.29Å; M112-V116 WeakPolarHBondContact O-CG2 3.49Å; M112-V116 PolarHBondContact O-N 3.03Å
113A98.3Very high97.6Very high61 Ų6198 Ų9850%0.50449%0.49SS..Hα-helixtrans-63.1-45.6175.600000111.4Q109 R110 V111 Q115 V116 A117Q109-A113 WeakPolarHBondContact O-CB 3.43Å; Q109-A113 PolarHBondContact O-N 3.43Å; R110-A113 PolarHBondContact O-N 2.72Å; V111-A113 PolarHBondContact O-N 2.91Å; A113-Q115 PolarHBondContact O-N 2.89Å; A113-V116 PolarHBondContact O-N 3.09Å; A113-A117 WeakPolarHBondContact O-CB 3.37Å; A113-A117 PolarHBondContact O-N 2.99Å
114A98Very high97.2Very high63 Ų6397.1 Ų97.152%0.52149%0.488SS..Hα-helixtrans-61-43.6175.400000112.4R110 V111 V116 A117 L118R110-A114 PolarHBondContact O-N 3.17Å; R110-A114 VanDerWaalsContact O-N 3.08Å; V111-A114 PolarHBondContact O-N 3.43Å; A114-V116 PolarHBondContact O-N 3.36Å; A114-A117 PolarHBondContact O-N 3.25Å; A114-L118 WeakPolarHBondContact O-CB 3.31Å; A114-L118 PolarHBondContact O-N 3.42Å
115Q98.6Very high96.7Very high115 Ų11596 Ų9654%0.53748%0.48SS..Hα-helixtrans-64.5-36.2176.1-72.6177.8-9.600113.2V111 M112 A113 R119V111-Q115 WeakPolarHBondContact O-CG 3.48Å; V111-Q115 PolarHBondContact O-N 3.13Å; M112-Q115 PolarHBondContact O-N 2.76Å; A113-Q115 PolarHBondContact O-N 2.89Å; Q115-R119 WeakPolarHBondContact O-CB 3.42Å; Q115-R119 PolarHBondContact O-N 2.95Å
116V98.3Very high95.7Very high70 Ų70101.4 Ų101.442%0.42451%0.509SS..Hα-helixtrans-71.9-37.9175.4168.70000111.3M112 A113 A114 R120M112-V116 WeakPolarHBondContact O-CB 3.44Å; M112-V116 VanDerWaalsContact O-CG2 3.29Å; M112-V116 WeakPolarHBondContact O-CG2 3.49Å; M112-V116 PolarHBondContact O-N 3.03Å; A113-V116 PolarHBondContact O-N 3.09Å; A114-V116 PolarHBondContact O-N 3.36Å; V116-R120 WeakPolarHBondContact O-CB 3.26Å; V116-R120 VanDerWaalsContact O-CG 3.24Å; V116-R120 WeakPolarHBondContact O-CG 3.08Å; V116-R120 PolarHBondContact O-N 3.13Å
117A97.8Very high94.6Very high58 Ų58106.9 Ų106.948%0.47953%0.527SS..Hα-helixtrans-62.6-51174.400000111.4A113 A114 R119 R120 Q121A113-A117 WeakPolarHBondContact O-CB 3.37Å; A113-A117 PolarHBondContact O-N 2.99Å; A114-A117 PolarHBondContact O-N 3.25Å; A117-R119 PolarHBondContact O-N 3.34Å; A117-R120 WeakPolarHBondContact O-CB 3.47Å; A117-R120 PolarHBondContact O-N 3.43Å; A117-R120 VanDerWaalsContact O-N 3.11Å; A117-Q121 PolarHBondContact O-N 2.86Å
118L97.8Very high93.2Very high95 Ų95110.5 Ų110.550%0.49754%0.542SS..Hα-helixtrans-56.5-46.2177.9178.562.1000112.2A114 R120 Q121 Q122A114-L118 WeakPolarHBondContact O-CB 3.31Å; A114-L118 PolarHBondContact O-N 3.42Å; L118-R120 VanDerWaalsContact C-N 3.31Å; L118-R120 PolarHBondContact O-N 3.25Å; L118-Q121 WeakPolarHBondContact O-CB 3.29Å; L118-Q121 PolarHBondContact O-N 2.97Å; L118-Q122 WeakPolarHBondContact O-CG 3.24Å; L118-Q122 PolarHBondContact O-N 3.31Å
119R97.6Very high91.3Very high184 Ų184104.8 Ų104.869%0.69454%0.537SS*.Hα-helixtrans-66.6-32.7178.8-164.1-173.5-57-158.3-0.2112.7Q115 A117 A123Q115-R119 WeakPolarHBondContact O-CB 3.42Å; Q115-R119 PolarHBondContact O-N 2.95Å; A117-R119 PolarHBondContact O-N 3.34Å; R119-A123 WeakPolarHBondContact O-CB 3.42Å; R119-A123 PolarHBondContact O-N 2.83Å; R119-A123 VanDerWaalsContact O-N 3.16Å
120R97.3Very high89.4Confident180 Ų180105.5 Ų105.568%0.67954%0.543SS*.Hα-helixtrans-69.2-41.7173.8-75.9171.4177.4-166.2-1.1111.4V116 A117 L118 A123 T124V116-R120 WeakPolarHBondContact O-CB 3.26Å; V116-R120 VanDerWaalsContact O-CG 3.24Å; V116-R120 WeakPolarHBondContact O-CG 3.08Å; V116-R120 PolarHBondContact O-N 3.13Å; A117-R120 WeakPolarHBondContact O-CB 3.47Å; A117-R120 PolarHBondContact O-N 3.43Å; A117-R120 VanDerWaalsContact O-N 3.11Å; L118-R120 VanDerWaalsContact C-N 3.31Å; L118-R120 PolarHBondContact O-N 3.25Å; R120-A123 PolarHBondContact O-N 3.28Å; R120-T124 WeakPolarHBondContact O-CG2 3.48Å; R120-T124 PolarHBondContact O-N 3.17Å; R120-T124 VanDerWaalsContact O-N 3.13Å; R120-T124 PolarHBondContact O-OG1 3.12Å
121Q95.9Very high87.3Confident101 Ų101103.5 Ų103.547%0.47256%0.555SS.*Hα-helixtrans-57.9-54.4175.3177.1178.9-8.500110.8A117 L118 A123 T124 E125A117-Q121 PolarHBondContact O-N 2.86Å; L118-Q121 WeakPolarHBondContact O-CB 3.29Å; L118-Q121 PolarHBondContact O-N 2.97Å; Q121-A123 VanDerWaalsContact C-N 3.35Å; Q121-A123 PolarHBondContact O-N 2.93Å; Q121-T124 CarbonylContact O-C 2.94Å; Q121-T124 WeakPolarHBondContact O-CA 3.44Å; Q121-T124 PolarHBondContact O-N 2.99Å; Q121-T124 PolarHBondContact O-OG1 3.08Å; Q121-E125 HydrophobicContact CG-CG 4.36Å; Q121-E125 VanDerWaalsContact CG-OE1 3.26Å; Q121-E125 WeakPolarHBondContact CG-OE1 3.41Å; Q121-E125 PolarHBondContact NE2-OE1 2.94Å; Q121-E125 PolarHBondContact O-N 2.86Å
122Q95.6Very high85.1Confident93 Ų93102.9 Ų102.944%0.43556%0.56SS.*Hα-helixtrans-51.4-52.7176.5-70.5169.1-31.800111.1L118 T124 E125 D126L118-Q122 WeakPolarHBondContact O-CG 3.24Å; L118-Q122 PolarHBondContact O-N 3.31Å; Q122-T124 PolarHBondContact O-N 3.05Å; Q122-E125 PolarHBondContact O-N 3.43Å; Q122-D126 PolarHBondContact O-N 3.26Å
123A92.9Very high82.6Confident43 Ų43106.9 Ų106.936%0.35558%0.575SS.*Hα-helixtrans-67.5-4.117900000115.4R119 R120 Q121 K127R119-A123 WeakPolarHBondContact O-CB 3.42Å; R119-A123 PolarHBondContact O-N 2.83Å; R119-A123 VanDerWaalsContact O-N 3.16Å; R120-A123 PolarHBondContact O-N 3.28Å; Q121-A123 VanDerWaalsContact C-N 3.35Å; Q121-A123 PolarHBondContact O-N 2.93Å; A123-K127 VanDerWaalsContact O-CD 3.3Å; A123-K127 WeakPolarHBondContact O-CD 3.27Å; A123-K127 WeakPolarHBondContact O-CE 3.46Å; A123-K127 WeakPolarHBondContact O-CG 3.45Å
124T89.8Confident80Confident76 Ų76109.7 Ų109.747%0.46659%0.588SS.*Hα-helixtrans-103.3-29.3167.955.50000113.4R120 Q121 Q122 K128R120-T124 WeakPolarHBondContact O-CG2 3.48Å; R120-T124 PolarHBondContact O-N 3.17Å; R120-T124 VanDerWaalsContact O-N 3.13Å; R120-T124 PolarHBondContact O-OG1 3.12Å; Q121-T124 CarbonylContact O-C 2.94Å; Q121-T124 WeakPolarHBondContact O-CA 3.44Å; Q121-T124 PolarHBondContact O-N 2.99Å; Q121-T124 PolarHBondContact O-OG1 3.08Å; Q122-T124 PolarHBondContact O-N 3.05Å; T124-K128 WeakPolarHBondContact O-CG 3.44Å; T124-K128 PolarHBondContact O-N 3.22Å; T124-K128 VanDerWaalsContact O-N 3.17Å
125E87.8Confident77.8Confident96 Ų96114.5 Ų114.545%0.44960%0.603SS.*Hα-helixtrans-68.6-47.2172.2-70.9169.1171.600110Q121 Q122 K127 K128Q121-E125 HydrophobicContact CG-CG 4.36Å; Q121-E125 VanDerWaalsContact CG-OE1 3.26Å; Q121-E125 WeakPolarHBondContact CG-OE1 3.41Å; Q121-E125 PolarHBondContact NE2-OE1 2.94Å; Q121-E125 PolarHBondContact O-N 2.86Å; Q122-E125 PolarHBondContact O-N 3.43Å; E125-K127 PolarHBondContact O-N 3.35Å; E125-K127 VanDerWaalsContact O-N 3.14Å; E125-K128 PolarHBondContact O-N 2.83Å; E125-K128 VanDerWaalsContact O-N 3.07Å
126D78.2Confident75.3Confident130 Ų130114.1 Ų114.170%0.69561%0.611SS**Hα-helixtrans-50.7-39.4174.1-64.4-31.6000112.3Q122Q122-D126 PolarHBondContact O-N 3.26Å
127K74.7Confident73.2Confident178 Ų178114.2 Ų114.277%0.77462%0.619SS**Hα-helixtrans-85.6-19.6-176.4-67.1-177.3-174.9-178.60114.2A123 E125 G129A123-K127 VanDerWaalsContact O-CD 3.3Å; A123-K127 WeakPolarHBondContact O-CD 3.27Å; A123-K127 WeakPolarHBondContact O-CE 3.46Å; A123-K127 WeakPolarHBondContact O-CG 3.45Å; E125-K127 PolarHBondContact O-N 3.35Å; E125-K127 VanDerWaalsContact O-N 3.14Å; K127-G129 VanDerWaalsContact C-N 3.26Å
128K67.3Low71Confident158 Ų158119.8 Ų119.869%0.68764%0.635SS**Hα-helixtrans-82.7-4.7177.6-82.6177.7170.3-71.10112.8T124 E125 I130T124-K128 WeakPolarHBondContact O-CG 3.44Å; T124-K128 PolarHBondContact O-N 3.22Å; T124-K128 VanDerWaalsContact O-N 3.17Å; E125-K128 PolarHBondContact O-N 2.83Å; E125-K128 VanDerWaalsContact O-N 3.07Å; K128-I130 HydrophobicContact CB-CD1 3.9Å; K128-I130 HydrophobicContact CB-CG1 3.71Å; K128-I130 PolarHBondContact O-N 3.11Å; K128-I130 VanDerWaalsContact O-N 3.16Å
129G59.1Low68.6Low55 Ų55126.6 Ų126.657%0.56765%0.654SS**THydrogen-bonded Turntrans57.734.9169.100000113.1K127 S131K127-G129 VanDerWaalsContact C-N 3.26Å; G129-S131 PolarHBondContact O-N 3.37Å; G129-S131 PolarHBondContact O-OG 3.34Å
130I57.1Low66.4Low126 Ų126127.3 Ų127.365%0.64666%0.657SS**  trans-77.773.5-170.6-47.3-179.3000109.8K128 G132K128-I130 HydrophobicContact CB-CD1 3.9Å; K128-I130 HydrophobicContact CB-CG1 3.71Å; K128-I130 PolarHBondContact O-N 3.11Å; K128-I130 VanDerWaalsContact O-N 3.16Å; I130-G132 PolarHBondContact O-N 3.17Å
131S54.5Low64.4Low122 Ų122124.5 Ų124.585%0.85365%0.654SS**  trans-69.351.2159.947.60000110.4G129G129-S131 PolarHBondContact O-N 3.37Å; G129-S131 PolarHBondContact O-OG 3.34Å
132G51.9Low62.2Low49 Ų49129.8 Ų129.851%0.50567%0.671SS.*  trans-102.932.5-160.400000115.5I130I130-G132 PolarHBondContact O-N 3.17Å
133K45.9Very low60Low191 Ų191132.6 Ų132.683%0.8368%0.684SS**  trans70.2149.1177.1-49171.7-174.7177.50114.5I135K133-I135 PolarHBondContact O-N 3.34Å
134P44.4Very low57.8Low120 Ų120140.2 Ų140.278%0.77970%0.704SS**PPolyproline II helixtrans-70.5124.2172.229-33.4000110.4
135I52.3Low56.1Low165 Ų165145.1 Ų145.185%0.84672%0.721SS**PPolyproline II helixtrans-64.4125170.5-60.2173.7000108.1K133 A137K133-I135 PolarHBondContact O-N 3.34Å; I135-A137 PolarHBondContact O-N 2.96Å
136P45.2Very low54.4Low107 Ų107147.3 Ų147.370%0.69573%0.734SS**PPolyproline II helixtrans-74.2117.1-167.426.7-34000113.8E138P136-E138 VanDerWaalsContact C-N 3.34Å; P136-E138 PolarHBondContact O-N 3.34Å
137A54.3Low52.9Low72 Ų72149.1 Ų149.160%0.59573%0.732SS**SBendtrans56-42.3142.800000122.6I135 R139 R140I135-A137 PolarHBondContact O-N 2.96Å; A137-R139 PolarHBondContact O-N 3.21Å; A137-R140 WeakPolarHBondContact O-CB 3.28Å; A137-R140 PolarHBondContact O-N 2.79Å; A137-R140 VanDerWaalsContact O-N 3.13Å
138E51.7Low51.7Low174 Ų174146.7 Ų146.781%0.81373%0.734SS**G310 helixtrans-69.1-28.3-152.6-67.2-161.8129.500116.3P136 R140P136-E138 VanDerWaalsContact C-N 3.34Å; P136-E138 PolarHBondContact O-N 3.34Å; E138-R140 PolarHBondContact O-N 3.13Å
139R48.4Very low51Low238 Ų238142.4 Ų142.490%0.89872%0.724SS**G310 helixtrans-76.71.8176.4-80.9-174.7172.91551.1115.1A137 I141A137-R139 PolarHBondContact O-N 3.21Å; R139-I141 PolarHBondContact O-N 3.11Å
140R50.5Low51.1Low199 Ų199142 Ų14275%0.75171%0.711SS**G310 helixtrans-81.2-4.1-178-71.9-173.9170.8179.5-2.3115.9A137 E138A137-R140 WeakPolarHBondContact O-CB 3.28Å; A137-R140 PolarHBondContact O-N 2.79Å; A137-R140 VanDerWaalsContact O-N 3.13Å; E138-R140 PolarHBondContact O-N 3.13Å
141I55.8Low51Low122 Ų122143.1 Ų143.163%0.62672%0.715SS**THydrogen-bonded Turntrans-80.7-52.5-174.8-62.9179.5000111.7R139R139-I141 PolarHBondContact O-N 3.11Å
142Y48.7Very low51.2Low211 Ų211143.3 Ų143.383%0.82771%0.705SS**G310 helixtrans-80.6-23.3-175.7-65.2-72.6000114.7R144Y142-R144 PolarHBondContact O-N 2.9Å
143Q49.9Very low51.3Low152 Ų152143.3 Ų143.371%0.7170%0.701SS**G310 helixtrans-84.718.6-177.6-148.9173.416.700114.6
144R45.8Very low51.8Low204 Ų204140.8 Ų140.877%0.7769%0.69SS**G310 helixtrans-85.3-11.4172.3-84.9-179.7165.9164.8-3.9114.6Y142Y142-R144 PolarHBondContact O-N 2.9Å
145H55.2Low52.3Low179 Ų179138.4 Ų138.483%0.82968%0.676SS**SBendtrans-94.73.7-177.1-72.5-76.5000115.7
146I52.2Low52.6Low141 Ų141135.7 Ų135.772%0.72366%0.662SS**  trans-110.676.8172.7-52179.9000109.2
147R46.4Very low53.2Low169 Ų169136.8 Ų136.864%0.63866%0.661SS**  trans-131.680.2178-167.9179.7-175.1168.96.8112.6S149 T150R147-S149 PolarHBondContact NE-OG 2.96Å; R147-S149 PolarHBondContact O-N 3.42Å; R147-T150 HydrophobicContact CG-CG2 4.5Å
148P50.3Low53.2Low127 Ų127140.6 Ų140.683%0.82567%0.667SS**THydrogen-bonded Turntrans-7744.7170.435.3-36.5000112.1
149S52.4Low52.9Low68 Ų68135.3 Ų135.348%0.47666%0.659SS.*THydrogen-bonded Turntrans-119.4-4.1-179.397.40000114R147R147-S149 PolarHBondContact NE-OG 2.96Å; R147-S149 PolarHBondContact O-N 3.42Å
150T59.5Low52.9Low47 Ų47133.2 Ų133.229%0.28865%0.652SS.*SBendtrans-117.2-13.6-170.651.70000114.5R147 K154R147-T150 HydrophobicContact CG-CG2 4.5Å; T150-K154 VanDerWaalsContact O-CB 3.26Å; T150-K154 WeakPolarHBondContact O-CB 3.42Å; T150-K154 VanDerWaalsContact O-CG 3.31Å; T150-K154 WeakPolarHBondContact O-CG 3.48Å; T150-K154 PolarHBondContact O-N 3.25Å
151M56.6Low52.4Low149 Ų149133.7 Ų133.773%0.73465%0.654SS**Hα-helixtrans-64.8-42.8176.2-70.3-55.8-61.300112S155M151-S155 WeakPolarHBondContact O-CB 3.47Å; M151-S155 PolarHBondContact O-N 3.37Å; M151-S155 PolarHBondContact O-OG 3.16Å
152L57.8Low51.8Low125 Ų125133.3 Ų133.365%0.65466%0.66SS**Hα-helixtrans-71.4-40.4177.8-126.5171.5000112S155 I156L152-S155 WeakPolarHBondContact CA-OG 3.46Å; L152-S155 PolarHBondContact O-N 2.87Å; L152-S155 PolarHBondContact O-OG 2.91Å; L152-I156 HydrophobicContact CD2-CD1 3.73Å; L152-I156 HydrophobicContact CD2-CG1 4.15Å; L152-I156 WeakPolarHBondContact O-CB 3.45Å; L152-I156 WeakPolarHBondContact O-CD1 3.49Å; L152-I156 VanDerWaalsContact O-CG1 3.24Å; L152-I156 WeakPolarHBondContact O-CG1 3.5Å; L152-I156 PolarHBondContact O-N 2.81Å
153A55.2Low51.6Low49 Ų49129.9 Ų129.941%0.40566%0.66SS.*Hα-helixtrans-62.7-45.7174.700000111.6I156 L157A153-I156 PolarHBondContact O-N 2.99Å; A153-L157 VanDerWaalsContact O-CD1 3.28Å; A153-L157 WeakPolarHBondContact O-CD1 3.26Å; A153-L157 PolarHBondContact O-N 3.4Å; A153-L157 VanDerWaalsContact O-N 3.11Å
154K54.8Low51.3Low139 Ų139130.5 Ų130.560%0.60466%0.663SS**Hα-helixtrans-64-44.8174.8-74.6-173.6172.6-164.70111.8T150 I156 L157 E158T150-K154 VanDerWaalsContact O-CB 3.26Å; T150-K154 WeakPolarHBondContact O-CB 3.42Å; T150-K154 VanDerWaalsContact O-CG 3.31Å; T150-K154 WeakPolarHBondContact O-CG 3.48Å; T150-K154 PolarHBondContact O-N 3.25Å; K154-I156 PolarHBondContact O-N 3.01Å; K154-L157 PolarHBondContact O-N 2.91Å; K154-L157 VanDerWaalsContact O-N 3.13Å; K154-E158 VanDerWaalsContact O-CB 3.29Å; K154-E158 WeakPolarHBondContact O-CB 3.38Å; K154-E158 PolarHBondContact O-N 3.36Å
155S54.6Low51.2Low69 Ų69126.1 Ų126.148%0.48366%0.661SS.*Hα-helixtrans-64.2-28.617864.90000113.5M151 L152 G159M151-S155 WeakPolarHBondContact O-CB 3.47Å; M151-S155 PolarHBondContact O-N 3.37Å; M151-S155 PolarHBondContact O-OG 3.16Å; L152-S155 WeakPolarHBondContact CA-OG 3.46Å; L152-S155 PolarHBondContact O-N 2.87Å; L152-S155 PolarHBondContact O-OG 2.91Å; S155-G159 PolarHBondContact O-N 3.02Å
156I58.5Low50.4Low108 Ų108123.8 Ų123.855%0.55466%0.655SS**Hα-helixtrans-71.7-39173.4-72.2165.6000111.4L152 A153 K154L152-I156 HydrophobicContact CD2-CD1 3.73Å; L152-I156 HydrophobicContact CD2-CG1 4.15Å; L152-I156 WeakPolarHBondContact O-CB 3.45Å; L152-I156 WeakPolarHBondContact O-CD1 3.49Å; L152-I156 VanDerWaalsContact O-CG1 3.24Å; L152-I156 WeakPolarHBondContact O-CG1 3.5Å; L152-I156 PolarHBondContact O-N 2.81Å; A153-I156 PolarHBondContact O-N 2.99Å; K154-I156 PolarHBondContact O-N 3.01Å
157L58.5Low50.3Low131 Ų131122.8 Ų122.869%0.68666%0.657SS**Hα-helixtrans-75.1-41.1176-88.974.6000112.5A153 K154 G159 Y160A153-L157 VanDerWaalsContact O-CD1 3.28Å; A153-L157 WeakPolarHBondContact O-CD1 3.26Å; A153-L157 PolarHBondContact O-N 3.4Å; A153-L157 VanDerWaalsContact O-N 3.11Å; K154-L157 PolarHBondContact O-N 2.91Å; K154-L157 VanDerWaalsContact O-N 3.13Å; L157-G159 PolarHBondContact O-N 3.2Å; L157-Y160 PolarHBondContact O-N 2.81Å
158E53.6Low50.3Low151 Ų151123.9 Ų123.971%0.70667%0.667SS**Hα-helixtrans-62.5-32.4177.9-155.581.4-125.900111.7K154 Y160K154-E158 VanDerWaalsContact O-CB 3.29Å; K154-E158 WeakPolarHBondContact O-CB 3.38Å; K154-E158 PolarHBondContact O-N 3.36Å; E158-Y160 PolarHBondContact O-N 3Å
159G47.1Very low50.1Low63 Ų63125.6 Ų125.665%0.64967%0.669SS**THydrogen-bonded Turntrans-72.2-8.3172.600000114.7S155 L157S155-G159 PolarHBondContact O-N 3.02Å; L157-G159 PolarHBondContact O-N 3.2Å
160Y47.1Very low49.4Very low195 Ų195126.6 Ų126.677%0.76568%0.681SS**  trans-109.956.1-178.4-123.2-93.4000112.1L157 E158 P162L157-Y160 PolarHBondContact O-N 2.81Å; E158-Y160 PolarHBondContact O-N 3Å; Y160-P162 VanDerWaalsContact O-CD 3.31Å; Y160-P162 WeakPolarHBondContact O-CD 3.41Å
161R41.4Very low48.9Very low208 Ų208130.3 Ų130.379%0.78571%0.706SS**PPolyproline II helixtrans-57.8121.7153.3-79.1-76.4177100-0.9107.6V163R161-V163 PolarHBondContact O-N 3.1Å; R161-V163 VanDerWaalsContact O-N 3.1Å
162P43Very low48.4Very low115 Ų115130.5 Ų130.575%0.74771%0.71SS**PPolyproline II helixtrans-59.4119169.4-21.534.2000108.4Y160 Q164Y160-P162 VanDerWaalsContact O-CD 3.31Å; Y160-P162 WeakPolarHBondContact O-CD 3.41Å; P162-Q164 PolarHBondContact O-N 3.02Å
163V44.4Very low47.6Very low138 Ų138129.4 Ų129.484%0.83672%0.719SS**PPolyproline II helixtrans-68.4123.6170.9177.40000106.3R161R161-V163 PolarHBondContact O-N 3.1Å; R161-V163 VanDerWaalsContact O-N 3.1Å
164Q43.2Very low46.9Very low165 Ų165131.3 Ų131.377%0.77174%0.735SS**PPolyproline II helixtrans-56.2135.6174.1-73.3-7633.300108.9P162 D166P162-Q164 PolarHBondContact O-N 3.02Å; Q164-D166 PolarHBondContact O-N 3.37Å
165P43.1Very low46.8Very low112 Ų112130.5 Ų130.573%0.72774%0.736SS**  trans-65.7108.5179.926.8-33.2000109.6P167P165-P167 WeakPolarHBondContact O-CD 3.47Å
166D38.9Very low46.6Very low130 Ų130132.2 Ų132.270%0.69575%0.746SS**  trans-70.6116.3174.6-161.9-10.7000108.5Q164 F168Q164-D166 PolarHBondContact O-N 3.37Å; D166-F168 PolarHBondContact O-N 3.16Å
167P49.9Very low46.3Very low120 Ų120132.1 Ų132.178%0.77975%0.752SS**THydrogen-bonded Turntrans-66.68.1-163-25.636.2000117.7P165P165-P167 WeakPolarHBondContact O-CD 3.47Å
168F45.7Very low46.3Very low192 Ų192131.8 Ų131.884%0.84276%0.758SS**THydrogen-bonded Turntrans-118.49.9-166.6-100.9-86.8000116.4D166D166-F168 PolarHBondContact O-N 3.16Å
169L46.1Very low46.6Very low164 Ų164127.7 Ų127.786%0.85974%0.74SS**SBendtrans-124141.4174.6-68.9176.4000113.4
170A38.3Very low47.6Very low89 Ų89128 Ų12874%0.73673%0.733SS**  trans-73157-164.800000114.6N172A170-N172 PolarHBondContact O-N 3.28Å
171P48.2Very low48.1Very low125 Ų125123.1 Ų123.181%0.81272%0.72SS**SBendtrans-81.378.5-164.633.4-37.4000113.3
172N46.6Very low49Very low152 Ų152122.2 Ų122.281%0.81372%0.717SS**  trans-145.553.5169-95.5-61.7000112.6A170 A174A170-N172 PolarHBondContact O-N 3.28Å; N172-A174 PolarHBondContact O-N 3.46Å
173A40.8Very low49.6Very low102 Ų102120.6 Ų120.684%0.84370%0.7SS**  trans-72.575.1163.300000109.7L175A173-L175 PolarHBondContact O-N 2.83Å
174A41.7Very low50.7Low89 Ų89115.4 Ų115.474%0.73667%0.665SS**PPolyproline II helixtrans-57.6121-174.900000111.5N172N172-A174 PolarHBondContact O-N 3.46Å
175L53Low51.5Low123 Ų123114 Ų11464%0.64466%0.657SS**PPolyproline II helixtrans-58.7143.4176.4-67.1172000110.4A173A173-L175 PolarHBondContact O-N 2.83Å
176P49.7Very low52.5Low105 Ų105117.4 Ų117.468%0.68266%0.655SS**PPolyproline II helixtrans-60.2129176.425.9-33.7000109.4
177P52.7Low53.7Low106 Ų106117.8 Ų117.869%0.68865%0.647SS**PPolyproline II helixtrans-62.4144.2-168.123-34.1000112.1L179P177-L179 PolarHBondContact O-N 3.34Å
178P57.9Low54Low123 Ų123113.1 Ų113.180%0.79962%0.618SS**PPolyproline II helixtrans-57.4125.2-174.821.8-33000111S180P178-S180 PolarHBondContact O-N 3.33Å
179L60.4Low54.3Low65 Ų65112.5 Ų112.534%0.3462%0.615SS.*  trans-71.7101.9-174.1-69.6170.1000109.9P177 M183 R187 M198P177-L179 PolarHBondContact O-N 3.34Å; L179-M183 HydrophobicContact CB-CB 4.45Å; L179-M183 HydrophobicContact CD2-CE 4.26Å; L179-M183 HydrophobicContact CD2-SD 3.96Å; L179-R187 VanDerWaalsContact CD1-NH1 3.31Å; L179-M198 HydrophobicContact CD1-CE 4.21Å
180S68.5Low54.9Low70 Ų70109.3 Ų109.349%0.4961%0.613SS.*  trans-39.5146.5178.365.30000113.6P178 R182 M183 R184P178-S180 PolarHBondContact O-N 3.33Å; S180-R182 PolarHBondContact O-N 2.76Å; S180-M183 WeakPolarHBondContact O-CA 3.48Å; S180-M183 WeakPolarHBondContact O-CB 3.31Å; S180-M183 PolarHBondContact O-N 3.35Å; S180-R184 PolarHBondContact O-N 3.47Å
181D57.6Low55.9Low92 Ų92109.2 Ų109.249%0.49260%0.6SS.*Hα-helixtrans-58.3-21.3-175.1-68.1-48.4000114.4M183 R184 K185D181-M183 VanDerWaalsContact C-N 3.34Å; D181-R184 PolarHBondContact O-N 2.92Å; D181-R184 IonicContact OD1-CZ 3.39Å; D181-R184 VanDerWaalsContact OD1-CZ 3.31Å; D181-R184 IonicContact OD1-NE 3.07Å; D181-R184 PolarHBondContact OD1-NE 3.06Å; D181-R184 IonicContact OD1-NH2 3.06Å; D181-R184 PolarHBondContact OD1-NH2 3.07Å; D181-K185 WeakPolarHBondContact O-CB 3.27Å; D181-K185 WeakPolarHBondContact O-CG 3.29Å; D181-K185 PolarHBondContact O-N 2.75Å
182R59Low57.2Low190 Ų190111.3 Ų111.372%0.71760%0.596SS**Hα-helixtrans-69.2-30.6172.1-157.9177.3-168.2-169.75.3112.5S180 R186S180-R182 PolarHBondContact O-N 2.76Å; R182-R186 WeakPolarHBondContact O-CB 3.26Å; R182-R186 WeakPolarHBondContact O-CD 3.31Å; R182-R186 WeakPolarHBondContact O-CG 3.18Å; R182-R186 PolarHBondContact O-N 3.34Å
183M55.6Low58.6Low81 Ų81110.9 Ų110.940%0.39959%0.589SS.*Hα-helixtrans-80.7-39.4167.9-66.2-164.276.800112.4L179 S180 D181 R186 R187L179-M183 HydrophobicContact CB-CB 4.45Å; L179-M183 HydrophobicContact CD2-CE 4.26Å; L179-M183 HydrophobicContact CD2-SD 3.96Å; S180-M183 WeakPolarHBondContact O-CA 3.48Å; S180-M183 WeakPolarHBondContact O-CB 3.31Å; S180-M183 PolarHBondContact O-N 3.35Å; D181-M183 VanDerWaalsContact C-N 3.34Å; M183-R186 PolarHBondContact O-N 3.15Å; M183-R187 PolarHBondContact O-N 2.85Å; M183-R187 VanDerWaalsContact O-N 3.09Å
184R66.8Low60.4Low28 Ų28109.8 Ų109.811%0.10657%0.569CS.*Hα-helixtrans-53.1-58.9173-168.4-160.2-53.8-87.6-7.2110.5S180 D181 R186 R187 A188 E202S180-R184 PolarHBondContact O-N 3.47Å; D181-R184 PolarHBondContact O-N 2.92Å; D181-R184 IonicContact OD1-CZ 3.39Å; D181-R184 VanDerWaalsContact OD1-CZ 3.31Å; D181-R184 IonicContact OD1-NE 3.07Å; D181-R184 PolarHBondContact OD1-NE 3.06Å; D181-R184 IonicContact OD1-NH2 3.06Å; D181-R184 PolarHBondContact OD1-NH2 3.07Å; R184-R186 VanDerWaalsContact C-N 3.29Å; R184-R186 PolarHBondContact O-N 3.26Å; R184-R187 PolarHBondContact O-N 3.41Å; R184-A188 WeakPolarHBondContact O-CB 3.28Å; R184-A188 PolarHBondContact O-N 3.39Å; R184-E202 IonicContact CZ-OE1 2.7Å; R184-E202 IonicContact CZ-OE2 3.61Å; R184-E202 IonicContact NH1-OE1 3.15Å; R184-E202 PolarHBondContact NH1-OE1 3.08Å; R184-E202 IonicContact NH1-OE2 3.63Å; R184-E202 PolarHBondContact NH1-OE2 3.12Å; R184-E202 VanDerWaalsContact NH2-CD 3.32Å; R184-E202 IonicContact NH2-OE1 2.77Å; R184-E202 PolarHBondContact NH2-OE1 2.87Å; R184-E202 IonicContact NH2-OE2 3.34Å; R184-E202 PolarHBondContact NH2-OE2 3.01Å
185K60.2Low62.2Low136 Ų136109.3 Ų109.359%0.59155%0.551SS**Hα-helixtrans-59.3-36.2178.4-73.2176.7175.7172.60112.8D181 R187 F189D181-K185 WeakPolarHBondContact O-CB 3.27Å; D181-K185 WeakPolarHBondContact O-CG 3.29Å; D181-K185 PolarHBondContact O-N 2.75Å; K185-R187 VanDerWaalsContact C-N 3.28Å; K185-R187 PolarHBondContact O-N 2.96Å; K185-F189 WeakPolarHBondContact O-CD2 3.4Å; K185-F189 VanDerWaalsContact O-CE2 3.27Å; K185-F189 WeakPolarHBondContact O-CE2 3.47Å
186R64.5Low63.7Low184 Ų184107.3 Ų107.369%0.69455%0.545SS*.Hα-helixtrans-68.4-19.7175.8-82.9178.2170.6-164.2-4.7114.6R182 M183 R184R182-R186 WeakPolarHBondContact O-CB 3.26Å; R182-R186 WeakPolarHBondContact O-CD 3.31Å; R182-R186 WeakPolarHBondContact O-CG 3.18Å; R182-R186 PolarHBondContact O-N 3.34Å; M183-R186 PolarHBondContact O-N 3.15Å; R184-R186 VanDerWaalsContact C-N 3.29Å; R184-R186 PolarHBondContact O-N 3.26Å
187R64.8Low65.1Low138 Ų138107.2 Ų107.252%0.52154%0.537SS..Hα-helixtrans-99-31.6174.5-72.5179.9171.6137.6-3.2113L179 M183 R184 K185 F189L179-R187 VanDerWaalsContact CD1-NH1 3.31Å; M183-R187 PolarHBondContact O-N 2.85Å; M183-R187 VanDerWaalsContact O-N 3.09Å; R184-R187 PolarHBondContact O-N 3.41Å; K185-R187 VanDerWaalsContact C-N 3.28Å; K185-R187 PolarHBondContact O-N 2.96Å; R187-F189 VanDerWaalsContact C-N 3.3Å; R187-F189 PolarHBondContact O-N 3.18Å
188A56.8Low66.5Low21 Ų21104.3 Ų104.317%0.17452%0.515CS..Hα-helixtrans-73.4-10.1-178.400000115.3R184 A190 D191 E195R184-A188 WeakPolarHBondContact O-CB 3.28Å; R184-A188 PolarHBondContact O-N 3.39Å; A188-A190 PolarHBondContact O-N 2.99Å; A188-D191 PolarHBondContact O-N 3.04Å; A188-E195 HydrophobicContact CB-CB 4.19Å; A188-E195 HydrophobicContact CB-CG 4.46Å
189F51.8Low67.7Low179 Ų179103.2 Ų103.279%0.78550%0.502SS*.THydrogen-bonded Turntrans-58-6.4-176.6-84.6-58.5000116.9K185 R187K185-F189 WeakPolarHBondContact O-CD2 3.4Å; K185-F189 VanDerWaalsContact O-CE2 3.27Å; K185-F189 WeakPolarHBondContact O-CE2 3.47Å; R187-F189 VanDerWaalsContact C-N 3.3Å; R187-F189 PolarHBondContact O-N 3.18Å
190A57.1Low68.9Low98 Ų98106 Ų10681%0.8151%0.513SS*.THydrogen-bonded Turntrans-119.9-16.8-177.400000115.1A188A188-A190 PolarHBondContact O-N 2.99Å
191D60.4Low69.5Low86 Ų86111.1 Ų111.146%0.4652%0.522SS..  trans-154.5129.2-176.3-155.4-31.4000112.5A188 E193 L194A188-D191 PolarHBondContact O-N 3.04Å; D191-E193 PolarHBondContact OD1-N 3.24Å; D191-L194 HydrophobicContact CB-CB 4.25Å
192K76.1Confident70.8Confident169 Ų169108.6 Ų108.674%0.73551%0.507SS*.Hα-helixtrans-81-29-178.9-174.2178.1177-175.60112.1L194 E195 T196K192-L194 VanDerWaalsContact C-N 3.3Å; K192-L194 PolarHBondContact O-N 3Å; K192-E195 PolarHBondContact O-N 2.9Å; K192-T196 PolarHBondContact O-N 3.27Å; K192-T196 PolarHBondContact O-OG1 3.11Å
193E75.9Confident72Confident143 Ų143107 Ų10767%0.66850%0.502SS*.Hα-helixtrans-67.5-36178.2-63.3-171.4165.600110.7D191 E195 T196 I197D191-E193 PolarHBondContact OD1-N 3.24Å; E193-E195 VanDerWaalsContact C-N 3.35Å; E193-E195 PolarHBondContact O-N 2.96Å; E193-T196 PolarHBondContact O-N 3.05Å; E193-I197 WeakPolarHBondContact O-CD1 3.45Å; E193-I197 VanDerWaalsContact O-CG1 3.29Å; E193-I197 WeakPolarHBondContact O-CG1 3.5Å; E193-I197 PolarHBondContact O-N 2.82Å
194L77.3Confident73.3Confident80 Ų80109.1 Ų109.142%0.41951%0.509SS..Hα-helixtrans-65.4-34.3177.4-173.962.5000113D191 K192 M198D191-L194 HydrophobicContact CB-CB 4.25Å; K192-L194 VanDerWaalsContact C-N 3.3Å; K192-L194 PolarHBondContact O-N 3Å; L194-M198 WeakPolarHBondContact O-CB 3.38Å; L194-M198 WeakPolarHBondContact O-CG 3.45Å; L194-M198 PolarHBondContact O-N 3.19Å
195E80.4Confident73.9Confident78 Ų78111.8 Ų111.836%0.36452%0.523SS..Hα-helixtrans-66.4-44.6175.3-173.6165.7-128.700111.2A188 K192 E193 M198 L199A188-E195 HydrophobicContact CB-CB 4.19Å; A188-E195 HydrophobicContact CB-CG 4.46Å; K192-E195 PolarHBondContact O-N 2.9Å; E193-E195 VanDerWaalsContact C-N 3.35Å; E193-E195 PolarHBondContact O-N 2.96Å; E195-M198 PolarHBondContact O-N 3.25Å; E195-L199 WeakPolarHBondContact O-CB 3.29Å; E195-L199 PolarHBondContact O-N 2.97Å
196T83.3Confident74.6Confident82 Ų82112.5 Ų112.550%0.50352%0.521SS..Hα-helixtrans-60.2-48.1174.9-52.90000111.7K192 E193 M198 L199 E200K192-T196 PolarHBondContact O-N 3.27Å; K192-T196 PolarHBondContact O-OG1 3.11Å; E193-T196 PolarHBondContact O-N 3.05Å; T196-M198 VanDerWaalsContact C-N 3.33Å; T196-M198 PolarHBondContact O-N 3.28Å; T196-L199 WeakPolarHBondContact O-CB 3.48Å; T196-L199 PolarHBondContact O-N 3.48Å; T196-L199 VanDerWaalsContact O-N 3.12Å; T196-E200 WeakPolarHBondContact O-CB 3.32Å; T196-E200 PolarHBondContact O-N 2.88Å
197I81Confident75.2Confident103 Ų103108.4 Ų108.453%0.52851%0.51SS..Hα-helixtrans-64.3-37-178.9-67.1163.7000111.5E193 R201E193-I197 WeakPolarHBondContact O-CD1 3.45Å; E193-I197 VanDerWaalsContact O-CG1 3.29Å; E193-I197 WeakPolarHBondContact O-CG1 3.5Å; E193-I197 PolarHBondContact O-N 2.82Å; I197-R201 WeakPolarHBondContact O-CB 3.49Å; I197-R201 PolarHBondContact O-N 2.95Å; I197-R201 VanDerWaalsContact O-N 3.08Å
198M80.4Confident75.5Confident44 Ų44105.7 Ų105.722%0.21751%0.509CS..Hα-helixtrans-66.7-38.8172.8-78-167.964.400112.4L179 L194 E195 T196 R201 E202L179-M198 HydrophobicContact CD1-CE 4.21Å; L194-M198 WeakPolarHBondContact O-CB 3.38Å; L194-M198 WeakPolarHBondContact O-CG 3.45Å; L194-M198 PolarHBondContact O-N 3.19Å; E195-M198 PolarHBondContact O-N 3.25Å; T196-M198 VanDerWaalsContact C-N 3.33Å; T196-M198 PolarHBondContact O-N 3.28Å; M198-R201 PolarHBondContact O-N 2.84Å; M198-E202 PolarHBondContact O-N 3.33Å; M198-E202 VanDerWaalsContact O-N 3.15Å
199L83.3Confident75.9Confident100 Ų100110.2 Ų110.252%0.52453%0.529SS..Hα-helixtrans-69.2-40.6178.9-163.872.4000111.9E195 T196 E202 Y203E195-L199 WeakPolarHBondContact O-CB 3.29Å; E195-L199 PolarHBondContact O-N 2.97Å; T196-L199 WeakPolarHBondContact O-CB 3.48Å; T196-L199 PolarHBondContact O-N 3.48Å; T196-L199 VanDerWaalsContact O-N 3.12Å; L199-E202 PolarHBondContact O-N 2.96Å; L199-Y203 PolarHBondContact O-N 3.41Å
200E86.6Confident76.7Confident123 Ų123108.4 Ų108.458%0.57552%0.524SS*.Hα-helixtrans-62.1-41.8174.1-172.7-178175.400111.3T196 Y203 K204T196-E200 WeakPolarHBondContact O-CB 3.32Å; T196-E200 PolarHBondContact O-N 2.88Å; E200-Y203 PolarHBondContact O-N 3.41Å; E200-K204 WeakPolarHBondContact O-CB 3.29Å; E200-K204 PolarHBondContact O-N 3.04Å
201R81.2Confident77.1Confident179 Ų179107.4 Ų107.468%0.67551%0.511SS*.Hα-helixtrans-59.6-46.9174.4-173.8-179-178.3172.14.1112.2I197 M198 Y203 K204 E205I197-R201 WeakPolarHBondContact O-CB 3.49Å; I197-R201 PolarHBondContact O-N 2.95Å; I197-R201 VanDerWaalsContact O-N 3.08Å; M198-R201 PolarHBondContact O-N 2.84Å; R201-Y203 VanDerWaalsContact C-N 3.33Å; R201-K204 PolarHBondContact O-N 2.92Å; R201-E205 VanDerWaalsContact O-CB 3.28Å; R201-E205 WeakPolarHBondContact O-CB 3.48Å; R201-E205 PolarHBondContact O-N 3Å
202E83.6Confident77Confident38 Ų38108.3 Ų108.318%0.17852%0.516CS..Hα-helixtrans-70.8-26.6179.5-72.5174.6-177.200113.6R184 M198 L199 R206R184-E202 IonicContact CZ-OE1 2.7Å; R184-E202 IonicContact CZ-OE2 3.61Å; R184-E202 IonicContact NH1-OE1 3.15Å; R184-E202 PolarHBondContact NH1-OE1 3.08Å; R184-E202 IonicContact NH1-OE2 3.63Å; R184-E202 PolarHBondContact NH1-OE2 3.12Å; R184-E202 VanDerWaalsContact NH2-CD 3.32Å; R184-E202 IonicContact NH2-OE1 2.77Å; R184-E202 PolarHBondContact NH2-OE1 2.87Å; R184-E202 IonicContact NH2-OE2 3.34Å; R184-E202 PolarHBondContact NH2-OE2 3.01Å; M198-E202 PolarHBondContact O-N 3.33Å; M198-E202 VanDerWaalsContact O-N 3.15Å; L199-E202 PolarHBondContact O-N 2.96Å; E202-R206 PolarHBondContact O-N 3.39Å; E202-R206 PolarHBondContact O-NE 2.7Å
203Y85.3Confident76Confident157 Ų157107.7 Ų107.762%0.61652%0.515SS*.Hα-helixtrans-68.1-49.1170.3-174.8-91.8000110L199 E200 R201 E205 R206 E207L199-Y203 PolarHBondContact O-N 3.41Å; E200-Y203 PolarHBondContact O-N 3.41Å; R201-Y203 VanDerWaalsContact C-N 3.33Å; Y203-E205 PolarHBondContact O-N 3.48Å; Y203-R206 PolarHBondContact O-N 3.39Å; Y203-R206 VanDerWaalsContact O-N 3.16Å; Y203-E207 PolarHBondContact O-N 2.77Å
204K83.3Confident74.9Confident126 Ų126105.2 Ų105.255%0.54852%0.519SS..Hα-helixtrans-68.1-31.8180-162.7157.8-160158.90113.6E200 R201 E207 V208E200-K204 WeakPolarHBondContact O-CB 3.29Å; E200-K204 PolarHBondContact O-N 3.04Å; R201-K204 PolarHBondContact O-N 2.92Å; K204-E207 PolarHBondContact O-N 3.15Å; K204-V208 WeakPolarHBondContact O-CB 3.47Å; K204-V208 VanDerWaalsContact O-CG2 3.31Å; K204-V208 WeakPolarHBondContact O-CG2 3.44Å; K204-V208 PolarHBondContact O-N 3.48Å
205E79.6Confident73.6Confident84 Ų84105.4 Ų105.439%0.39353%0.532SS..Hα-helixtrans-66.1-38.6171.7-174.8164.8-149.700111.3R201 Y203 L209R201-E205 VanDerWaalsContact O-CB 3.28Å; R201-E205 WeakPolarHBondContact O-CB 3.48Å; R201-E205 PolarHBondContact O-N 3Å; Y203-E205 PolarHBondContact O-N 3.48Å; E205-L209 WeakPolarHBondContact O-CB 3.37Å; E205-L209 PolarHBondContact O-N 3.32Å
206R73.8Confident72Confident150 Ų150105 Ų10557%0.56654%0.543SS*.Hα-helixtrans-69.4-42.7171.4-86.4-178.2-76.9147.9-9.9113E202 Y203 V208 L209 E210E202-R206 PolarHBondContact O-N 3.39Å; E202-R206 PolarHBondContact O-NE 2.7Å; Y203-R206 PolarHBondContact O-N 3.39Å; Y203-R206 VanDerWaalsContact O-N 3.16Å; R206-V208 VanDerWaalsContact C-N 3.29Å; R206-V208 PolarHBondContact O-N 3.31Å; R206-L209 PolarHBondContact O-N 2.87Å; R206-L209 VanDerWaalsContact O-N 3.1Å; R206-E210 VanDerWaalsContact O-CB 3.27Å; R206-E210 WeakPolarHBondContact O-CB 3.44Å; R206-E210 PolarHBondContact O-N 3.42Å
207E78.1Confident70.3Confident98 Ų98103.3 Ų103.346%0.45854%0.541SS..Hα-helixtrans-55.3-43.7173.8-178.3-176.7-151.900111.4Y203 K204 S211Y203-E207 PolarHBondContact O-N 2.77Å; K204-E207 PolarHBondContact O-N 3.15Å; E207-S211 WeakPolarHBondContact O-CB 3.24Å; E207-S211 PolarHBondContact O-N 2.95Å
208V69.7Low68.8Low81 Ų81104.8 Ų104.849%0.49156%0.557SS.*Hα-helixtrans-69.4-36.2175.7170.50000112.2K204 R206 N212K204-V208 WeakPolarHBondContact O-CB 3.47Å; K204-V208 VanDerWaalsContact O-CG2 3.31Å; K204-V208 WeakPolarHBondContact O-CG2 3.44Å; K204-V208 PolarHBondContact O-N 3.48Å; R206-V208 VanDerWaalsContact C-N 3.29Å; R206-V208 PolarHBondContact O-N 3.31Å; V208-N212 WeakPolarHBondContact O-CB 3.38Å; V208-N212 PolarHBondContact O-N 3.42Å; V208-N212 PolarHBondContact O-ND2 3.37Å
209L67Low66.9Low116 Ų116109.8 Ų109.861%0.60758%0.584SS**Hα-helixtrans-70-41.1177-148.879.6000112.1E205 R206 N212 Q213E205-L209 WeakPolarHBondContact O-CB 3.37Å; E205-L209 PolarHBondContact O-N 3.32Å; R206-L209 PolarHBondContact O-N 2.87Å; R206-L209 VanDerWaalsContact O-N 3.1Å; L209-N212 PolarHBondContact O-N 3.01Å; L209-Q213 WeakPolarHBondContact O-CB 3.47Å; L209-Q213 PolarHBondContact O-N 3.08Å
210E67.8Low65.2Low142 Ų142113 Ų11366%0.66460%0.601SS**Hα-helixtrans-66.2-42.4175.8-175.2167.7-153.100111.1R206 Q213 A214R206-E210 VanDerWaalsContact O-CB 3.27Å; R206-E210 WeakPolarHBondContact O-CB 3.44Å; R206-E210 PolarHBondContact O-N 3.42Å; E210-Q213 CarbonylContact O-C 3.59Å; E210-Q213 PolarHBondContact O-N 3.18Å; E210-Q213 VanDerWaalsContact O-N 3.16Å; E210-A214 PolarHBondContact O-N 2.95Å
211S64.6Low62.9Low77 Ų77116.3 Ų116.354%0.53861%0.614SS.*Hα-helixtrans-64.2-39173.4-172.10000112.7E207 A214 A215E207-S211 WeakPolarHBondContact O-CB 3.24Å; E207-S211 PolarHBondContact O-N 2.95Å; S211-A214 PolarHBondContact O-N 3.44Å; S211-A215 PolarHBondContact O-N 3.33Å
212N58.2Low61.2Low105 Ų105113.5 Ų113.556%0.56162%0.618SS**Hα-helixtrans-66.4-36.1170.8-85.7-88.2000112.5V208 L209 A214 A215 A216V208-N212 WeakPolarHBondContact O-CB 3.38Å; V208-N212 PolarHBondContact O-N 3.42Å; V208-N212 PolarHBondContact O-ND2 3.37Å; L209-N212 PolarHBondContact O-N 3.01Å; N212-A214 VanDerWaalsContact C-N 3.33Å; N212-A215 PolarHBondContact O-N 3.37Å; N212-A216 WeakPolarHBondContact O-CB 3.46Å; N212-A216 PolarHBondContact O-N 3.05Å
213Q55.9Low58.8Low156 Ų156116.1 Ų116.173%0.72965%0.647SS**Hα-helixtrans-69.9-30.6176.4-169.4156.8100.600112.3L209 E210L209-Q213 WeakPolarHBondContact O-CB 3.47Å; L209-Q213 PolarHBondContact O-N 3.08Å; E210-Q213 CarbonylContact O-C 3.59Å; E210-Q213 PolarHBondContact O-N 3.18Å; E210-Q213 VanDerWaalsContact O-N 3.16Å
214A52.7Low56.3Low91 Ų91114.4 Ų114.475%0.75266%0.658SS**Hα-helixtrans-73.1-29.217000000113.2E210 S211 N212E210-A214 PolarHBondContact O-N 2.95Å; S211-A214 PolarHBondContact O-N 3.44Å; N212-A214 VanDerWaalsContact C-N 3.33Å
215A49.1Very low54.8Low84 Ų84116.2 Ų116.269%0.69467%0.673SS**Hα-helixtrans-76.5-26172.300000113S211 N212 G217S211-A215 PolarHBondContact O-N 3.33Å; N212-A215 PolarHBondContact O-N 3.37Å; A215-G217 VanDerWaalsContact C-N 3.34Å; A215-G217 PolarHBondContact O-N 3.17Å
216A48Very low53.4Low70 Ų70117.5 Ų117.558%0.57969%0.686SS**SBendtrans-80.175.6176.600000111.9N212N212-A216 WeakPolarHBondContact O-CB 3.46Å; N212-A216 PolarHBondContact O-N 3.05Å
217G47.9Very low51.6Low45 Ų45118.3 Ų118.346%0.46470%0.696SS.*  trans-53.9156.3168.100000112.6A215 L219A215-G217 VanDerWaalsContact C-N 3.34Å; A215-G217 PolarHBondContact O-N 3.17Å; G217-L219 PolarHBondContact O-N 3.37Å
218P48.5Very low49.6Very low134 Ų134123.1 Ų123.187%0.8772%0.718SS**  trans-70.887.7-163.328.6-36.7000113.4L220P218-L220 PolarHBondContact O-N 2.95Å
219L41.4Very low48.1Very low149 Ų149124 Ų12478%0.7873%0.733SS**  trans-83.5113.6172.1-67.1-175.7000111G217 F221G217-L219 PolarHBondContact O-N 3.37Å; L219-F221 PolarHBondContact O-N 3.49Å
220L46.8Very low46.9Very low168 Ų168123.4 Ų123.488%0.8875%0.745SS**  trans-62.1124.3177-61.6163.8000111P218P218-L220 PolarHBondContact O-N 2.95Å
221F37.8Very low45.5Very low193 Ų193121.2 Ų121.285%0.84675%0.751SS**  trans-119117.3164.8-85.6-81.3000110.2L219L219-F221 PolarHBondContact O-N 3.49Å
222P46.1Very low44.5Very low119 Ų119122 Ų12277%0.77376%0.763SS**  trans-81.4135.9176.531.6-32.7000111.9
223A33.8Very low43.6Very low93 Ų93126.1 Ų126.177%0.76978%0.779SS**  trans52.6109.2156.700000119.8
224S33.1Very low43Very low122 Ų122127.6 Ų127.685%0.85378%0.783SS**  -144.1122.7118.1-170.60000110.3
225L51.7Low42.4Very low164 Ų164129.1 Ų129.186%0.85979%0.788SS**  trans-86115.4-179.9-69.1105.9000111.4
226V49.3Very low41.9Very low111 Ų111129.7 Ų129.767%0.67379%0.793SS**  trans-152.2156.9141.2-1670000108.4
227H35.9Very low41.6Very low166 Ų166135.9 Ų135.977%0.76980%0.803SS**  trans92.61.3165.6-49.3101.8000120.3A229H227-A229 PolarHBondContact O-N 3.32Å
228H35.9Very low41.3Very low199 Ų199143.1 Ų143.192%0.92182%0.822SS**THydrogen-bonded Turntrans-89.270.8163.8-79.4-60.1000112.2
229A37.5Very low40.7Very low99 Ų99141.9 Ų141.982%0.81882%0.823SS**THydrogen-bonded Turntrans-146.1-5176.500000115.7H227H227-A229 PolarHBondContact O-N 3.32Å
230A42.4Very low40.3Very low104 Ų104138.1 Ų138.186%0.8682%0.82SS**SBendtrans-129.415.9-168.500000115
231A39.4Very low39.6Very low96 Ų96140.8 Ų140.879%0.79383%0.825SS**SBendtrans-127.69.9-174.200000114.3
232A43Very low39.5Very low95 Ų95136.6 Ų136.679%0.78582%0.819SS**SBendtrans-100.2-4.2-169.500000115.3
233E40Very low39.8Very low190 Ų190136 Ų13689%0.88882%0.816SS**SBendtrans-108.6-2.7-168.2-64.1-167.7135.600115.7
234F42.6Very low39.7Very low188 Ų188136 Ų13683%0.82582%0.815SS**SBendtrans-112.616.4-173.6-156.5-105.6000115.8
235S40.7Very low40.4Very low122 Ų122135.1 Ų135.185%0.85381%0.807SS**  trans-140.546.7178.6-66.80000113.1
236A37Very low39.4Very low96 Ų96135.2 Ų135.279%0.79380%0.803SS**  trans-121.736.5-179.800000113.5
237Y41.8Very low38.5Very low200 Ų200135.5 Ų135.578%0.78480%0.804SS**SBendtrans-140.5145.4162.882.8-77.4000112.5
238K42.7Very low38.2Very low198 Ų198135.2 Ų135.286%0.86180%0.804SS**SBendtrans7056.3169.1-152.8-173.1-177.3-177.50118.1
239A35.3Very low37.9Very low108 Ų108134.1 Ų134.189%0.89380%0.798SS**  trans-143.2125.314300000108.9
240G32.5Very low37.5Very low70 Ų70137 Ų13772%0.72280%0.795SS**  trans-140.6160.6-178.500000111.7
241F32.7Very low38.3Very low223 Ų223136.2 Ų136.298%0.97878%0.781SS**  trans74.3155.6-174.4-86-96.7000117.8
242S36.2Very low37.9Very low105 Ų105140.4 Ų140.473%0.73478%0.782SS**  trans-156.6-173.3-161.5-142.30000106.7
243P51.5Low37.4Very low108 Ų108142.2 Ų142.270%0.70178%0.778SS**  cis-137.8168.1-8.634.6-14.4000116.5
244A33.3Very low37.1Very low92 Ų92140.4 Ų140.476%0.7677%0.774SS**  trans66178.3141.800000120.2
245P47.7Very low36.5Very low104 Ų104137.5 Ų137.568%0.67578%0.775SS**  -137.7168.3-61.239.6-26.1000115.2
246Q29.1Very low36Very low165 Ų165134.6 Ų134.677%0.77177%0.765SS**  trans-156.5131.3144.4-72.6-50.7-61.300106.2
247V32.3Very low35.7Very low117 Ų117140 Ų14071%0.70977%0.771SS**  61124.467.6-178.80000111.4
248E29.1Very low35.5Very low161 Ų161138.4 Ų138.475%0.75278%0.775SS**  cis148.1120.7-11167.4177.1161.100106
249H30Very low34.9Very low175 Ų175132.4 Ų132.481%0.8177%0.77SS**  trans-172.7155138.6-119.1-80.3000114.3
250Q28.3Very low34.7Very low159 Ų159133.5 Ų133.574%0.74377%0.771SS**  trans-153.5-173.2176.3-92.5-78.616.200106.3
251P58.2Low34.6Very low89 Ų89133.6 Ų133.658%0.57877%0.772SS**  cis-126.9-170.2-32.933.8-15.6000112.1
252K31.9Very low34.9Very low183 Ų183129 Ų12980%0.79677%0.766SS**  trans139.2147.7146-80.6154.1-179.4174.20114.6
253D33Very low34.9Very low133 Ų133132.7 Ų132.771%0.71178%0.776SS**  cis-170.1176.8-26.1-127.4-38.8000110.9
254L33.5Very low33.9Very low152 Ų152134.7 Ų134.780%0.79678%0.781SS**  trans69.2133.8177.3-77.964.4000115.8
255C29Very low33.8Very low127 Ų127138.3 Ų138.386%0.85879%0.787SS**  cis80.4126.439.9-169.30000113.9
256G30.1Very low34.1Very low62 Ų62138.9 Ų138.964%0.63979%0.791SS**  cis149.3138-7.100000112.8
257F30.9Very low34.3Very low209 Ų209135.5 Ų135.592%0.91779%0.791SS**  trans-164161.7166.4-137.2-99.4000112.9
258L37.5Very low34.8Very low166 Ų166135.9 Ų135.987%0.86980%0.796SS**  trans-141.3157.1178.4-86175.2000112.5
259G30.5Very low34.6Very low73 Ų73138.5 Ų138.575%0.75380%0.8SS**  trans107.4158.1169.100000114.7
260S32.4Very low35.5Very low131 Ų131135.1 Ų135.192%0.91679%0.794SS**  cis-166.4165.9-9.9-165.60000110.4
261G30.7Very low35.5Very low72 Ų72132.3 Ų132.374%0.74279%0.792SS**  trans10298.6155.200000117.7
262C38.5Very low34.2Very low127 Ų127134.1 Ų134.186%0.85881%0.806SS**  trans-86.8149.7154-54.10000109.8
263L35.2Very low34.3Very low181 Ų181130.3 Ų130.395%0.94881%0.809SS**  trans-147.4134.8153.5-78.8-175.4000110.9
264D30.1Very low34.2Very low150 Ų150128.2 Ų128.280%0.80281%0.811SS**  trans-88.7161.8168.4-85.9-67.8000111.7
265L32.2Very low34.2Very low169 Ų169128.3 Ų128.389%0.88581%0.812SS**  -175.4159.6120.8-115.268.3000111.8
266P54.3Low34.6Very low116 Ų116128.8 Ų128.875%0.75381%0.811SS**  trans-123.4-177.1-161.944.7-35000117.9
267A33.5Very low35.1Very low94 Ų94133.4 Ų133.478%0.77782%0.816SS**  trans79.9164.2160.800000118.3
268P41.1Very low35.2Very low125 Ų125131.7 Ų131.781%0.81282%0.815SS**  cis-128-173-8.329.6-6.5000115.6
269Y26.8Very low35.4Very low216 Ų216130.3 Ų130.385%0.84781%0.807SS**  trans-69.7174.8170.7-123.1-127.4000112.5
270P47.4Very low35.5Very low104 Ų104132.1 Ų132.168%0.67581%0.808SS**  cis-147.6-1762245.7-25.7000119.7
271S29.5Very low35.8Very low100 Ų100130.1 Ų130.170%0.69979%0.794SS**  trans74.3100.9144.7-67.20000123.5
272S30.6Very low35.9Very low126 Ų126133.9 Ų133.988%0.88180%0.797SS**  51.7101.6120.5-178.40000120.9
273A33.1Very low35.9Very low103 Ų103134.5 Ų134.585%0.85180%0.797SS**  trans-145.6157.215200000112.3
274A31.8Very low36.1Very low90 Ų90131 Ų13174%0.74479%0.787SS**  trans-58.4150.6-166.900000117.1
275N33.6Very low36.3Very low154 Ų154130.2 Ų130.282%0.82479%0.788SS**  trans-60141.5168.9-7.5-93.8000112.2
276V35.8Very low36.2Very low137 Ų137126.1 Ų126.183%0.8378%0.778SS**  trans-133.4103.9159.4-179.50000108.2
277E40.7Very low35.2Very low159 Ų159127.2 Ų127.274%0.74378%0.783SS**  trans-84.6122.1172.3-64.9-176.514200109.8I279E277-I279 HydrophobicContact CB-CG1 4.2Å; E277-I279 PolarHBondContact O-N 3.47Å
278L33.6Very low35.4Very low173 Ų173129.3 Ų129.391%0.90679%0.786SS**  trans-85.189.3169.5-102164.8000109.6
279I41.8Very low34.7Very low137 Ų137132.3 Ų132.370%0.70378%0.783SS**  trans-81.4117.2178.2-62.1173.2000110.3E277E277-I279 HydrophobicContact CB-CG1 4.2Å; E277-I279 PolarHBondContact O-N 3.47Å
280S32.7Very low34.9Very low111 Ų111132.9 Ų132.978%0.77678%0.783SS**  trans-147.6125.1158.161.90000110.6
281S39.6Very low34.1Very low88 Ų88135.1 Ų135.162%0.61578%0.784SS**  cis-165.2129.8-8.9520000110.8
282N32.9Very low34.2Very low152 Ų152140.6 Ų140.681%0.81379%0.791SS**  trans65.1139.2156.6-45.9-25.5000116.1
283V38.4Very low34.5Very low140 Ų140140.4 Ų140.485%0.84879%0.787SS**  cis-138.8148.923.3174.30000110.7
284S38.2Very low34.5Very low106 Ų106143.6 Ų143.674%0.74179%0.789SS**  trans-70.2173.2178.5-42.80000113
285V34Very low34.7Very low135 Ų135148.2 Ų148.282%0.81880%0.795SS**  -160.9136.761.9164.90000112.3
286A29.8Very low35.1Very low82 Ų82145.9 Ų145.968%0.67879%0.789SS**  trans49.4109.1156.400000121.4
287T34Very low35.1Very low140 Ų140145.2 Ų145.286%0.85979%0.79SS**  trans-124.7121.5137.252.80000109.5Y289T287-Y289 PolarHBondContact O-N 2.88Å
288T37Very low34.8Very low138 Ų138149.1 Ų149.185%0.84780%0.798SS**  trans-90.969.7-174.637.40000112.1R290T288-R290 PolarHBondContact O-N 3.28Å
289Y26.7Very low34.8Very low188 Ų188144.7 Ų144.774%0.73779%0.794SS**  trans-79.4103.2178.4-164.5-100000111.9T287 H291T287-Y289 PolarHBondContact O-N 2.88Å; Y289-H291 AromaticContact CD1-CD2 3.64Å; Y289-H291 AromaticContact CD1-NE2 3.91Å; Y289-H291 AromaticContact CE1-CD2 3.68Å; Y289-H291 AromaticContact CE1-NE2 3.74Å
290R32.6Very low34.8Very low227 Ų227143.1 Ų143.186%0.85780%0.801SS**  trans-89.5108.6171.7-81.1-75.8179145.2-2.2110.3T288T288-R290 PolarHBondContact O-N 3.28Å
291H29.8Very low35Very low152 Ų152145.5 Ų145.570%0.70481%0.806SS**  trans-58.1146.9167.8-88.1-107.9000112Y289Y289-H291 AromaticContact CD1-CD2 3.64Å; Y289-H291 AromaticContact CD1-NE2 3.91Å; Y289-H291 AromaticContact CE1-CD2 3.68Å; Y289-H291 AromaticContact CE1-NE2 3.74Å
292Y30.5Very low35.5Very low214 Ų214147.3 Ų147.384%0.83982%0.815SS**  trans-127.6142.1156.2-99-93.9000108.8
293P37.2Very low35.7Very low123 Ų123143.9 Ų143.980%0.79982%0.815SS**  trans-81.1151.2-176.832.3-34.9000112.9
294L34.8Very low35.5Very low170 Ų170141.2 Ų141.289%0.8982%0.817SS**  trans-114.5124.5174.5-70.3171.8000110.5
295Q35.8Very low35.4Very low186 Ų186140.5 Ų140.587%0.86983%0.826SS**  trans-171.6161161.1-87.8-131.49.400109.3
296P40.3Very low35.5Very low106 Ų106137.9 Ų137.969%0.68883%0.826SS**  cis-128.7174.4-48.837.6-22.4000111.6
297S36.1Very low36.1Very low122 Ų122143.9 Ų143.985%0.85384%0.837SS**  trans-72.5142.2178.5-176.60000113.4
298R35.6Very low36.6Very low241 Ų241143.1 Ų143.191%0.90983%0.832SS**  trans-149141.8163.2-88.3-162177-1471.6112.3
299G32.2Very low36.6Very low81 Ų81144.9 Ų144.984%0.83583%0.833SS**  trans78.4103147.700000117
300A43Very low37Very low103 Ų103146.5 Ų146.585%0.85184%0.838SS**  trans-83.9143.6161.400000110.7
301N36.4Very low37.7Very low162 Ų162141.2 Ų141.287%0.86683%0.833SS**  trans-155.7143.2156-128.1-12.5000109.6
302P50.3Low38.2Very low126 Ų126146.1 Ų146.182%0.81885%0.845SS**  trans-98.7123.8-174.334.8-29.6000113.1
303G36.8Very low38.5Very low79 Ų79139.4 Ų139.481%0.81484%0.84SS**  trans138.7136.9164.900000114.8
304G35Very low39.1Very low85 Ų85138.8 Ų138.888%0.87685%0.846SS**  trans94.7133.5178.600000113.5
305G35.9Very low39.9Very low90 Ų90136.6 Ų136.693%0.92884%0.839SS**  trans-86.2158.5-17400000114.6
306G34.9Very low40.5Very low80 Ų80132.9 Ų132.983%0.82583%0.826SS**  trans-168.412517300000111.7
307F42.6Very low41.1Very low209 Ų209135.6 Ų135.692%0.91783%0.833SS**  trans-75.8149.9176.7-77.8-112.2000111.8
308V45.3Very low42.2Very low124 Ų124132 Ų13275%0.75282%0.816SS**  -146.5129.8124.5-166.60000109.8
309M37.2Very low43.2Very low174 Ų174125.1 Ų125.186%0.85780%0.798SS**  trans-120123.4157.3170.1173.5155.700107.5P311M309-P311 WeakPolarHBondContact O-CD 3.46Å
310W35.5Very low44.5Very low223 Ų223124.3 Ų124.385%0.84578%0.783SS**  trans-80.3118.9-178.5-88.893000111.6
311P46.4Very low45.4Very low115 Ų115124.9 Ų124.975%0.74777%0.771SS**  trans-73.7142.4168.931.7-33.4000110.1M309M309-P311 WeakPolarHBondContact O-CD 3.46Å
312R39.9Very low46.8Very low256 Ų256122.7 Ų122.797%0.96676%0.759SS**  trans-132.7107.1-177.3-158.7-175.9-167.7-155.24110.7
313G38.1Very low47.6Very low72 Ų72124.3 Ų124.374%0.74275%0.75SS**  trans127.8130.6177.300000112.3
314A48.9Very low49.3Very low110 Ų110126.8 Ų126.891%0.90974%0.74SS**  trans-100.782.9-177.100000111.5
315T51.3Low50.9Low124 Ų124127.9 Ų127.976%0.76172%0.722SS**  trans-141.2150.4162.147.60000108.2
316N50.1Low52.4Low109 Ų109127.2 Ų127.258%0.58370%0.703SS**  trans7069.6179.2-53.112.6000115.8G318 D319N316-G318 PolarHBondContact O-N 3.16Å; N316-D319 HydrophobicContact CB-CB 4.49Å; N316-D319 VanDerWaalsContact CB-OD2 3.27Å; N316-D319 WeakPolarHBondContact CB-OD2 3.47Å; N316-D319 PolarHBondContact ND2-OD2 3.11Å
317L52Low54.2Low162 Ų162127.8 Ų127.885%0.84869%0.686SS**Hα-helixtrans-68.5-16.2167.6-154.372.9000113.1
318G59.2Low55.3Low48 Ų48125.4 Ų125.450%0.49568%0.676SS.*Hα-helixtrans-76.5-38.8-179.100000114.8N316 A320 L321 L322N316-G318 PolarHBondContact O-N 3.16Å; G318-A320 VanDerWaalsContact C-N 3.26Å; G318-A320 PolarHBondContact O-N 3.23Å; G318-L321 PolarHBondContact O-N 3.26Å; G318-L321 VanDerWaalsContact O-N 3.17Å; G318-L322 PolarHBondContact O-N 3.41Å; G318-L322 VanDerWaalsContact O-N 3.13Å
319D57.6Low56Low96 Ų96124 Ų12451%0.51366%0.664SS.*Hα-helixtrans-64.1-32.9-173.6-64.3-23.4000112.2N316 L322 Y323N316-D319 HydrophobicContact CB-CB 4.49Å; N316-D319 VanDerWaalsContact CB-OD2 3.27Å; N316-D319 WeakPolarHBondContact CB-OD2 3.47Å; N316-D319 PolarHBondContact ND2-OD2 3.11Å; D319-L322 PolarHBondContact O-N 3.07Å; D319-Y323 WeakPolarHBondContact O-CB 3.43Å; D319-Y323 PolarHBondContact O-N 3Å
320A58.6Low56.9Low63 Ų63118.4 Ų118.452%0.52165%0.646SS.*Hα-helixtrans-63.6-42.1176.600000112.5G318 Q324G318-A320 VanDerWaalsContact C-N 3.26Å; G318-A320 PolarHBondContact O-N 3.23Å; A320-Q324 WeakPolarHBondContact O-CB 3.3Å; A320-Q324 PolarHBondContact O-N 3.13Å; A320-Q324 VanDerWaalsContact O-N 3.08Å
321L61.4Low57.9Low115 Ų115112.7 Ų112.760%0.60264%0.635SS**Hα-helixtrans-71.2-37.6178.1-63.7177.2000111.4G318 Q324 Q325G318-L321 PolarHBondContact O-N 3.26Å; G318-L321 VanDerWaalsContact O-N 3.17Å; L321-Q324 PolarHBondContact O-N 3.34Å; L321-Q325 PolarHBondContact O-N 3.02Å
322L65.4Low58Low117 Ų117111.2 Ų111.261%0.61363%0.633SS**Hα-helixtrans-63.7-42.8175.9-163.672000111.4G318 D319 Q325 C326G318-L322 PolarHBondContact O-N 3.41Å; G318-L322 VanDerWaalsContact O-N 3.13Å; D319-L322 PolarHBondContact O-N 3.07Å; L322-Q325 PolarHBondContact O-N 2.91Å; L322-C326 PolarHBondContact O-N 2.91Å; L322-C326 PolarHBondContact O-SG 3.02Å; L322-C326 VanDerWaalsContact O-SG 3.37Å
323Y68.2Low58.6Low160 Ų160104.6 Ų104.663%0.62762%0.621SS**Hα-helixtrans-62.4-41.8174.3-175.8-112.6000112.2D319 C326 L327D319-Y323 WeakPolarHBondContact O-CB 3.43Å; D319-Y323 PolarHBondContact O-N 3Å; Y323-C326 PolarHBondContact O-N 2.92Å; Y323-L327 HydrophobicContact CD1-CD1 4Å; Y323-L327 HydrophobicContact CE1-CD1 3.54Å; Y323-L327 HydrophobicContact CE1-CG 4.26Å; Y323-L327 WeakPolarHBondContact O-CG 3.26Å; Y323-L327 PolarHBondContact O-N 2.72Å
324Q71.8Confident59.2Low131 Ų131109.3 Ų109.361%0.61262%0.624SS**Hα-helixtrans-65-39.5177.1-169168-5.600112.3A320 L321 L327 F328A320-Q324 WeakPolarHBondContact O-CB 3.3Å; A320-Q324 PolarHBondContact O-N 3.13Å; A320-Q324 VanDerWaalsContact O-N 3.08Å; L321-Q324 PolarHBondContact O-N 3.34Å; Q324-L327 PolarHBondContact O-N 3.41Å; Q324-F328 PolarHBondContact O-N 3.07Å; Q324-F328 VanDerWaalsContact O-N 3.08Å
325Q68.8Low59.3Low107 Ų107111.4 Ų111.450%0.562%0.62SS.*Hα-helixtrans-65.7-40.9173.4-17265.260.700112.1L321 L322 F328 N329L321-Q325 PolarHBondContact O-N 3.02Å; L322-Q325 PolarHBondContact O-N 2.91Å; Q325-F328 PolarHBondContact O-N 3.14Å; Q325-N329 PolarHBondContact NE2-OD1 3.16Å; Q325-N329 VanDerWaalsContact NE2-OD1 3.08Å; Q325-N329 PolarHBondContact O-N 3.17Å
326C67Low58.9Low77 Ų77114 Ų11452%0.5263%0.625SS.*Hα-helixtrans-62.7-41175.4-75.30000112.5L322 Y323 A330L322-C326 PolarHBondContact O-N 2.91Å; L322-C326 PolarHBondContact O-SG 3.02Å; L322-C326 VanDerWaalsContact O-SG 3.37Å; Y323-C326 PolarHBondContact O-N 2.92Å; C326-A330 WeakPolarHBondContact O-CB 3.42Å; C326-A330 PolarHBondContact O-N 3.46Å
327L72.5Confident58.6Low91 Ų91118.3 Ų118.348%0.47664%0.639SS.*Hα-helixtrans-63.8-43.6174.8-74.8175.7000112.1Y323 Q324 N329 A330 T331Y323-L327 HydrophobicContact CD1-CD1 4Å; Y323-L327 HydrophobicContact CE1-CD1 3.54Å; Y323-L327 HydrophobicContact CE1-CG 4.26Å; Y323-L327 WeakPolarHBondContact O-CG 3.26Å; Y323-L327 PolarHBondContact O-N 2.72Å; Q324-L327 PolarHBondContact O-N 3.41Å; L327-N329 PolarHBondContact O-N 2.9Å; L327-A330 WeakPolarHBondContact O-CB 3.38Å; L327-A330 PolarHBondContact O-N 3.3Å; L327-T331 PolarHBondContact O-N 3.21Å; L327-T331 PolarHBondContact O-OG1 2.77Å
328F66.9Low58.2Low160 Ų160116.8 Ų116.870%0.70264%0.639SS**Hα-helixtrans-63.6-41.9179-153.4-92.2000111.9Q324 Q325 T331Q324-F328 PolarHBondContact O-N 3.07Å; Q324-F328 VanDerWaalsContact O-N 3.08Å; Q325-F328 PolarHBondContact O-N 3.14Å; F328-T331 PolarHBondContact O-N 3.13Å; F328-T331 PolarHBondContact O-OG1 2.83Å
329N59.4Low57.5Low93 Ų93118.3 Ų118.350%0.49765%0.654SS.*Hα-helixtrans-66.2-35.5174-70.20.8000112.4Q325 L327 T331 A332Q325-N329 PolarHBondContact NE2-OD1 3.16Å; Q325-N329 VanDerWaalsContact NE2-OD1 3.08Å; Q325-N329 PolarHBondContact O-N 3.17Å; L327-N329 PolarHBondContact O-N 2.9Å; N329-T331 VanDerWaalsContact C-N 3.33Å; N329-T331 PolarHBondContact O-N 3.23Å; N329-A332 WeakPolarHBondContact O-CB 3.39Å; N329-A332 PolarHBondContact O-N 2.81Å; N329-A332 VanDerWaalsContact O-N 3.16Å
330A56.4Low56.7Low58 Ų58118.1 Ų118.148%0.47967%0.666SS.*Hα-helixtrans-64.9-35.9177.900000112.5C326 L327 A332C326-A330 WeakPolarHBondContact O-CB 3.42Å; C326-A330 PolarHBondContact O-N 3.46Å; L327-A330 WeakPolarHBondContact O-CB 3.38Å; L327-A330 PolarHBondContact O-N 3.3Å; A330-A332 PolarHBondContact O-N 3.16Å
331T56.3Low55.7Low102 Ų102121.5 Ų121.563%0.62668%0.68SS**Hα-helixtrans-66.4-20173.832.50000114.2L327 F328 N329 V333L327-T331 PolarHBondContact O-N 3.21Å; L327-T331 PolarHBondContact O-OG1 2.77Å; F328-T331 PolarHBondContact O-N 3.13Å; F328-T331 PolarHBondContact O-OG1 2.83Å; N329-T331 VanDerWaalsContact C-N 3.33Å; N329-T331 PolarHBondContact O-N 3.23Å; T331-V333 VanDerWaalsContact C-N 3.33Å; T331-V333 PolarHBondContact O-N 3.22Å
332A49.3Very low54.3Low85 Ų85127.8 Ų127.870%0.70270%0.695SS**THydrogen-bonded Turntrans-77.1-12.9-178.500000114.6N329 A330N329-A332 WeakPolarHBondContact O-CB 3.39Å; N329-A332 PolarHBondContact O-N 2.81Å; N329-A332 VanDerWaalsContact O-N 3.16Å; A330-A332 PolarHBondContact O-N 3.16Å
333V51.1Low52.9Low117 Ų117129.9 Ų129.971%0.70970%0.702SS**THydrogen-bonded Turntrans-103.2-8.5-174.1-162.10000112.7T331 N335T331-V333 VanDerWaalsContact C-N 3.33Å; T331-V333 PolarHBondContact O-N 3.22Å; V333-N335 VanDerWaalsContact C-N 3.29Å; V333-N335 PolarHBondContact O-N 3.49Å
334Q50.8Low51.8Low171 Ų171128 Ų12880%0.79971%0.709SS**  trans-8456-177.7-74.1-85.511.800112.8
335N51.4Low50Low154 Ų154131.4 Ų131.482%0.82472%0.722SS**  trans-149.330.4173-141.4-9.6000115.4V333V333-N335 VanDerWaalsContact C-N 3.29Å; V333-N335 PolarHBondContact O-N 3.49Å
336M43.5Very low48.5Very low179 Ų179131.7 Ų131.788%0.88273%0.731SS**  trans-111.4127.7171.1-69.6-62.8-76.600110.6
337K43.8Very low46.7Very low199 Ų199136 Ų13687%0.86575%0.746SS**  trans-77.5131.9-168.9-169.2177.5-176.6179.30111.5G339K337-G339 PolarHBondContact O-N 3.25Å
338P42.6Very low45.3Very low130 Ų130138 Ų13884%0.84476%0.764SS**SBendtrans-75.3119.7179.629.5-33.6000111.1
339G45.6Very low43.6Very low79 Ų79134.4 Ų134.481%0.81476%0.764SS**  trans157.673.617500000115.1K337K337-G339 PolarHBondContact O-N 3.25Å
340A40.3Very low42.3Very low92 Ų92139.1 Ų139.176%0.7678%0.783SS**  trans-144.9136.8165.500000110
341V37.9Very low41.1Very low135 Ų135141 Ų14182%0.81879%0.792SS**  trans-86138.8177.4175.10000109.4
342W32.2Very low39.7Very low246 Ų246144.4 Ų144.493%0.93280%0.801SS**  trans-90109.2172.4-74.883.6000110.2
343E35.1Very low39.1Very low161 Ų161146.1 Ų146.175%0.75281%0.805SS**  trans-115.4119.1171.5-101.6-65.5130.500109.3K345E343-K345 PolarHBondContact O-N 3.31Å
344P44.5Very low38.5Very low120 Ų120145.8 Ų145.878%0.77981%0.805SS**  trans-78.2114.1-178.3-11.427.8000111.8
345K35.2Very low37.5Very low204 Ų204146.4 Ų146.489%0.88781%0.808SS**  trans-125.3140.7171.5-161.1159.6-174.6170.70112.4E343E343-K345 PolarHBondContact O-N 3.31Å
346V36.4Very low36.6Very low113 Ų113147.3 Ų147.369%0.68581%0.807SS**  trans-102.2170.7-168.9-166.20000110.5
347M30.6Very low36Very low168 Ų168146.4 Ų146.483%0.82880%0.801SS**  trans84.5158.1169.3-44.8-58.7176.600115.9
348P41.1Very low35.5Very low132 Ų132141.6 Ų141.686%0.85780%0.798SS**  cis-123.2-167.9-16.127.1-4.5000112.5
349A32.3Very low35Very low84 Ų84140.3 Ų140.369%0.69480%0.798SS**  trans-114.4147.7172.600000112.1
350E32Very low34.3Very low192 Ų192141 Ų14190%0.89780%0.797SS**  trans55.9147.9162.5-64.9-18088.700118.5
351S31.1Very low33.8Very low97 Ų97140.9 Ų140.968%0.67880%0.796SS**  cis-158-174.2-10.650.10000106.8
352Q27.8Very low33.6Very low175 Ų175142.7 Ų142.782%0.81880%0.8SS**  cis-147.8169.815.6-62.4-179.2-1900110.2
353P34.7Very low33.4Very low120 Ų120135.1 Ų135.178%0.77979%0.79SS**  trans-103.6154.1175.238.5-32.5000115.4
354P39.1Very low33.4Very low110 Ų110132 Ų13271%0.71479%0.791SS**  trans-96.3166.4154.737.5-31.1000111.1
355E29.8Very low32.8Very low185 Ų185135.5 Ų135.586%0.86479%0.794SS**  cis-168.3135.3-11.5-109.4179139.500106.8
356Q32.4Very low33Very low172 Ų172133 Ų13380%0.80479%0.79SS**  trans-163.5137.5150.9-156.2154.5-26.700114.7
357E32.2Very low32.7Very low161 Ų161135.9 Ų135.975%0.75280%0.796SS**  trans50.3106.1158.7-75.4175.198.400123.5
358A33.3Very low32.7Very low97 Ų97131.3 Ų131.380%0.80279%0.791SS**  57104.3122.200000122.2
359A32Very low32.6Very low103 Ų103129.8 Ų129.885%0.85178%0.784SS**  -168.2139.6121.100000114.7
360A29.8Very low32.8Very low95 Ų95137.2 Ų137.279%0.78579%0.794SS**  trans25.6106.2151.300000123.4
361A30.9Very low32.8Very low89 Ų89132.3 Ų132.374%0.73679%0.786SS**  73.9136.8113.900000124
362L32.1Very low32.7Very low172 Ų172132.3 Ų132.390%0.90179%0.792SS**  trans70.2149.8163.1-53.4179.6000117.5
363A29.4Very low32.8Very low87 Ų87128.4 Ų128.472%0.71979%0.79SS**  cis-166.5170.4-23.100000110.4
364A34.6Very low32.6Very low95 Ų95130 Ų13079%0.78579%0.791SS**  trans66.2133.8-178.700000115.4
365K32.9Very low32.3Very low195 Ų195132.3 Ų132.385%0.84880%0.797SS**  cis73.510035.9-73-156.5170.4-164.90116
366L37.8Very low32.3Very low151 Ų151130.2 Ų130.279%0.79179%0.792SS**  -170.1141106.5-10987.6000105.5
367E31.3Very low32.9Very low174 Ų174128.1 Ų128.181%0.81379%0.793SS**  65.511651.9-166.7171.7-153.300112.2
368G30.5Very low32.7Very low71 Ų71129.1 Ų129.173%0.73280%0.795SS**  cis-163.1-150-500000107.2
369S38.4Very low33.5Very low101 Ų101129.4 Ų129.471%0.70679%0.788SS**  cis171.8140.2-7.5-133.90000105.3
370R37.1Very low34Very low239 Ų239130 Ų13090%0.90278%0.784SS**  trans72.3160.3163.7-52.7169-166.7-179.63.8118.1
371A30.9Very low33.9Very low89 Ų89131 Ų13174%0.73679%0.785SS**  cis177.2164.4-37.400000109.2
372A30.1Very low34Very low97 Ų97132 Ų13280%0.80279%0.793SS**  trans66.3132.2179.400000114.6
373A29.8Very low34Very low93 Ų93129.4 Ų129.477%0.76979%0.789SS**  cis76.311118.800000116.4
374L30Very low34.1Very low153 Ų153133.7 Ų133.780%0.80179%0.794SS**  -176.9152.5111.8-13667.5000114.2
375L32.2Very low34Very low159 Ų159138.2 Ų138.283%0.83280%0.801SS**  trans75.4136.3157.1-54.2-176.6000123.7
376D31.3Very low33.9Very low142 Ų142138.1 Ų138.176%0.75980%0.801SS**  trans-80.7165.9163-129.6-59.9000110K378D376-K378 PolarHBondContact OD1-N 3.41Å
377P43.7Very low33.9Very low127 Ų127140 Ų14083%0.82581%0.806SS**  -146169.56735.1-12.6000118.9
378K29.4Very low34.1Very low183 Ų183137.8 Ų137.880%0.79681%0.808SS**  trans-75.4-175.9-177.8-151-165.5175.163.30115.2D376D376-K378 PolarHBondContact OD1-N 3.41Å
379P49.7Very low34.5Very low102 Ų102140.1 Ų140.166%0.66281%0.813SS**  -108.3-167-86.841.1-25.2000114
380P42.4Very low34.9Very low117 Ų117139.6 Ų139.676%0.7682%0.815SS**  -147.916495.339.7-23000117.9
381S27.5Very low35.2Very low116 Ų116138 Ų13881%0.81182%0.815SS**  trans5132.5161.558.70000122.5
382A32.9Very low35.6Very low110 Ų110139.3 Ų139.391%0.90982%0.818SS**  trans-122.9148.9154.500000110.6
383S31.6Very low35.9Very low117 Ų117140.3 Ų140.382%0.81882%0.817SS**  trans-110.7154.4-170.953.60000114.3
384Q32.4Very low36.6Very low177 Ų177141.8 Ų141.883%0.82782%0.819SS**  trans-22.9132.7173.9-57.61744.700117.4
385M31.8Very low36.8Very low189 Ų189144.5 Ų144.593%0.93182%0.824SS**  trans-129.1145.6143.2-65.2-158.182.400109.6
386K31.6Very low37.1Very low193 Ų193147 Ų14784%0.83982%0.822SS**  trans-102.7141.5177.1-72.6176.5176.3174.70110
387E37.3Very low37.2Very low192 Ų192145.5 Ų145.590%0.89782%0.823SS**  trans-72.2141.7174.8-59.8173112.900111.3
388C35Very low36.7Very low126 Ų126147.9 Ų147.985%0.85182%0.82SS**  trans-148.1105.3171.8-110.70000112
389S39.7Very low36.8Very low120 Ų120142.5 Ų142.584%0.83982%0.817SS**  trans40.1102.7149.8-161.90000119
390A46.5Very low36.1Very low90 Ų90146.1 Ų146.174%0.74483%0.83SS**  trans-82.7114.4161.900000110.9
391F43Very low35.6Very low206 Ų206145.8 Ų145.890%0.90483%0.83SS**  trans-179.5107.5141.4-97.3-60.2000111.8
392S39Very low35.9Very low116 Ų116149.6 Ų149.681%0.81183%0.833SS**  trans-160.5138.9160-83.50000110.4
393P36.4Very low36.5Very low119 Ų119150.7 Ų150.777%0.77383%0.831SS**  trans-84.8149.6-174.333.5-35.2000112.9
394P45.8Very low36.2Very low123 Ų123150.4 Ų150.480%0.79983%0.829SS**  trans-79.7141.9-175.731.7-35.3000113.4
395K34.1Very low35.9Very low210 Ų210149.1 Ų149.191%0.91383%0.827SS**  trans-110.3126.1154.6-70.2-178.7178.1179.10107.9
396R38.8Very low35.9Very low213 Ų213144.4 Ų144.480%0.80481%0.813SS**  trans-99.3118.4170.7-71.6-176.271-167.70.7109.7F398R396-F398 HydrophobicContact CB-CD2 4.46Å
397S32.4Very low36Very low110 Ų110144 Ų14477%0.76981%0.814SS**  trans-104.5128.3164.751.20000108.9
398F32.9Very low35.7Very low176 Ų176139.5 Ų139.577%0.77280%0.803SS**  trans-139.9132168.9-83.8-86.7000109.8R396R396-F398 HydrophobicContact CB-CD2 4.46Å
399G31.4Very low35.7Very low70 Ų70142.3 Ų142.372%0.72280%0.804SS**  trans-158.3124.1169.700000108.4
400L36.2Very low35.1Very low179 Ų179143.8 Ų143.894%0.93780%0.802SS**  trans-146.3164.7170.8-80.5-177.6000108.5
401S31.1Very low35.3Very low110 Ų110143.7 Ų143.777%0.76979%0.794SS**  trans-104.4170.6-147.5-53.80000116.3
402F33.3Very low34.6Very low196 Ų196142.7 Ų142.786%0.8679%0.789SS**  trans-41.2160.2172.2-54.3-86.9000116.1
403P45.4Very low34.2Very low133 Ų133144.2 Ų144.286%0.86479%0.787SS**  -126.2174.890.237.3-31.2000114.4
404S26.9Very low33.9Very low111 Ų111143.4 Ų143.478%0.77678%0.784SS**  trans-113.7149.7-177176.50000111.5
405N26.5Very low33.2Very low149 Ų149145.8 Ų145.880%0.79778%0.782SS**  trans-148.8149146.4-158.510.3000113.2
406S31.2Very low33.1Very low90 Ų90142.6 Ų142.663%0.62978%0.775SS**  trans-62151.5-176.4-31.60000115.2
407H32.8Very low32.7Very low185 Ų185136.3 Ų136.386%0.85678%0.777SS**  -153.4136.1116.5-121.9-84.1000111.8
408S31Very low32.7Very low97 Ų97135.7 Ų135.768%0.67878%0.778SS**  trans-90157.1177.8-55.10000111.3
409H34.9Very low32.7Very low186 Ų186136.4 Ų136.486%0.86178%0.781SS**  -162.8161.1121.4-92.8-64.3000110.7
410N28.4Very low32.6Very low150 Ų150140.9 Ų140.980%0.80279%0.788SS**  trans-140.6-169.9-168.5-145.2-3.4000105
411P50.2Low32.2Very low89 Ų89136.6 Ų136.658%0.57877%0.772SS**  cis-146.8-178.6-3.844-24.9000118
412K28.3Very low32.3Very low185 Ų185138.6 Ų138.680%0.80477%0.772SS**  trans62.7161.6148.7-95.8101.5164.8-171.90116.9
413L31.3Very low32.3Very low147 Ų147137.5 Ų137.577%0.7777%0.766SS**  cis-141.1140.1-15.1-91.6141.5000104.8
414S28.4Very low31.7Very low102 Ų102138.5 Ų138.571%0.71376%0.763SS**  58.4110.571.4-1580000116.6
415K31.1Very low31.9Very low173 Ų173138.7 Ų138.775%0.75276%0.756SS**  132.2129.7122.9-163.6159.9-176.7170.90118
416D32.4Very low32.1Very low144 Ų144137.4 Ų137.477%0.7776%0.759SS**  trans40.7142.5156.8-53.3-10.4000123.1
417G30.7Very low32.1Very low81 Ų81141.7 Ų141.784%0.83577%0.766SS**  trans175.986168.300000119
418A31.3Very low32Very low96 Ų96141.9 Ų141.979%0.79377%0.767SS**  trans-12.9122.6165.900000123.5
419K32.8Very low32.1Very low192 Ų192141.5 Ų141.584%0.83577%0.765SS**  52.2137.3114.4-84-177.9176.71790123.8
420L29.3Very low32.1Very low164 Ų164139.3 Ų139.386%0.85976%0.759SS**  trans79.1153.6160.7-58168.2000115.9
421S29.5Very low32.2Very low88 Ų88138.7 Ų138.762%0.61576%0.76SS**  cis-156.4170.920-156.10000114.7
422M31.7Very low31.5Very low153 Ų153142.1 Ų142.175%0.75477%0.768SS**  trans64.7120.6171.9-47.4-75.174.900116.6
423K34.7Very low31.7Very low173 Ų173139.8 Ų139.875%0.75276%0.764SS**  58.1132.668.4-78.9-165.5166.3-165.40113.8
424L31.7Very low31.6Very low153 Ų153138.1 Ų138.180%0.80177%0.765SS**  cis-143.917542.1-158.165.1000114.4
425D32.5Very low31.8Very low116 Ų116144.4 Ų144.462%0.6277%0.773SS**  trans-88.5157.4-164-41.4-107.9000116.6
426S29.5Very low31.9Very low122 Ų122141.4 Ų141.485%0.85378%0.781SS**  -166.2162.3125-160.30000112.2
427F31.9Very low31.7Very low179 Ų179138.3 Ų138.379%0.78578%0.783SS**  trans-112.2147.1-167.3-74.5-111.5000113.8
428H30.9Very low31.9Very low189 Ų189144.3 Ų144.388%0.87579%0.786SS**  -150129.3126.1-147.1-92.3000114
429S31.5Very low32.8Very low90 Ų90145.8 Ų145.863%0.62979%0.788SS**  trans-148162.6167.7-137.30000105.3
430L35.6Very low32.5Very low140 Ų140140.7 Ų140.773%0.73379%0.789SS**  cis-159.3146.910.2171.664.9000106.3
431V31.4Very low32.6Very low137 Ų137136.4 Ų136.483%0.8379%0.785SS**  trans-135.392.6172.5-175.30000112.8
432Q35.2Very low33.4Very low161 Ų161137.9 Ų137.975%0.75279%0.792SS**  trans176.7152.6156.6-107.2175.589.300107.1
433N33.1Very low33.5Very low135 Ų135137.3 Ų137.372%0.72279%0.792SS**  cis-161161.6-0.1-149.1-19.5000108.1
434S29.4Very low33.7Very low112 Ų112137 Ų13778%0.78380%0.798SS**  trans-178.5165.3147-160.10000113.5
435R32.5Very low34Very low234 Ų234140.8 Ų140.888%0.88380%0.802SS**  trans-144.6153.9177.1-91-178.3164.1-173.6-3.3112.6
436A32.9Very low34.2Very low111 Ų111139.7 Ų139.792%0.91781%0.809SS**  trans74.7125.8155.700000120.1
437G26.9Very low35.2Very low79 Ų79139.4 Ų139.481%0.81480%0.804SS**  trans178.8138.3169.200000110.9
438K36.1Very low35.8Very low207 Ų207138.7 Ų138.790%0.980%0.797SS**  trans-141169.4174.2-86.9-168178.3-173.90107.3
439P49.6Very low36.5Very low127 Ų127135.6 Ų135.683%0.82580%0.796SS**  cis-126.6178.6-3.339.1-23.4000114.1
440G27.5Very low37.2Very low84 Ų84141.6 Ų141.687%0.86680%0.804SS**  trans167.5145.816700000112.9
441G29.7Very low37.9Very low75 Ų75141.8 Ų141.877%0.77380%0.802SS**  trans-143.7-168.9171.700000109.9
442P48Very low38.5Very low119 Ų119141 Ų14177%0.77379%0.792SS**  cis-126-169.78.142-26.8000114.4
443D33.1Very low39.1Very low141 Ų141140.2 Ų140.275%0.75479%0.792SS**  trans55.9118.5156-95.7-61000122.2
444L39.7Very low40.1Very low167 Ų167140.1 Ų140.187%0.87479%0.787SS**  -174.6160.2101.3-97.8171.8000113.3
445R37.4Very low40.9Very low231 Ų231139.8 Ų139.887%0.87277%0.774SS**  trans-74.3143.4177.7-86.2-105.3-146.5128.22.9113.4
446A36.9Very low41.6Very low94 Ų94132.4 Ų132.478%0.77776%0.763SS**  -179.6139120.400000113.4
447P49.2Very low42.4Very low115 Ų115131.1 Ų131.175%0.74775%0.752SS**  trans-102.7131163.135.2-26.6000111.6
448Y45.4Very low43.4Very low164 Ų164135.9 Ų135.964%0.64375%0.746SS**  trans-148.6-23.6174-166.5-117.6000115.9R450 L452Y448-R450 PolarHBondContact O-N 3.08Å; Y448-L452 HydrophobicContact CE1-CD1 3.89Å
449C44.7Very low44Very low124 Ų124133.6 Ų133.684%0.83874%0.736SS**THydrogen-bonded Turntrans-7522.2-168.7-52.30000116.7
450R47.8Very low43.6Very low216 Ų216137.3 Ų137.382%0.81574%0.739SS**THydrogen-bonded Turntrans-110.1-41.5-176.7-146.8-179.1-161.7-169.94.5114.7Y448Y448-R450 PolarHBondContact O-N 3.08Å
451E48.8Very low44.7Very low145 Ų145144.1 Ų144.168%0.67874%0.739SS**G310 helixtrans-72.2-34.5-176.3-63.8-176.6118.900112.5L453 E454 E455E451-L453 PolarHBondContact O-N 3.33Å; E451-L453 VanDerWaalsContact O-N 3.11Å; E451-E454 PolarHBondContact O-N 2.77Å; E451-E455 PolarHBondContact O-N 3.27Å
452L45.4Very low45.5Very low120 Ų120149 Ų14963%0.62874%0.742SS**G310 helixtrans-65.9-16.5-175.1-136.6147000113.8Y448Y448-L452 HydrophobicContact CE1-CD1 3.89Å
453L47.9Very low44.9Very low145 Ų145147.3 Ų147.376%0.75975%0.746SS**G310 helixtrans-91.1-19.8172.4-102.6161000113.4E451E451-L453 PolarHBondContact O-N 3.33Å; E451-L453 VanDerWaalsContact O-N 3.11Å
454E52.1Low44.9Very low132 Ų132148.7 Ų148.762%0.61775%0.753SS**THydrogen-bonded Turntrans-97.7-15.6-174.9-162.2160.9-146.500112.6E451E451-E454 PolarHBondContact O-N 2.77Å
455E47.8Very low44.6Very low105 Ų105143.6 Ų143.649%0.49174%0.74SS.*SBendtrans-75.2-37.8169.9-160.7-173.7142.600112.5E451 A457 R458 K459E451-E455 PolarHBondContact O-N 3.27Å; E455-A457 PolarHBondContact O-N 2.92Å; E455-R458 PolarHBondContact O-N 3.32Å; E455-K459 IonicContact OE1-NZ 2.83Å; E455-K459 PolarHBondContact OE1-NZ 3.4Å
456A45.8Very low44.6Very low80 Ų80141.4 Ų141.466%0.66174%0.737SS**THydrogen-bonded Turntrans-59-32.8-179.500000113.1R458A456-R458 VanDerWaalsContact C-N 3.31Å; A456-R458 PolarHBondContact O-N 3.46Å
457A50.8Low44.4Very low84 Ų84143.6 Ų143.669%0.69474%0.736SS**THydrogen-bonded Turntrans-73.9-14.4-177.900000114.7E455E455-A457 PolarHBondContact O-N 2.92Å
458R48.5Very low43.7Very low178 Ų178144.8 Ų144.867%0.67274%0.741SS**THydrogen-bonded Turntrans-89.4-27.7-176.8-82.4-177.6-84.7171.9-4.7114.4E455 A456 F460E455-R458 PolarHBondContact O-N 3.32Å; A456-R458 VanDerWaalsContact C-N 3.31Å; A456-R458 PolarHBondContact O-N 3.46Å; R458-F460 VanDerWaalsContact C-N 3.26Å; R458-F460 PolarHBondContact O-N 3.05Å; R458-F460 VanDerWaalsContact O-N 3.16Å
459K48.5Very low43Very low159 Ų159141.6 Ų141.669%0.69174%0.743SS**THydrogen-bonded Turntrans-78.87.6-171.3-69.5-178.5178158.60115.9E455E455-K459 IonicContact OE1-NZ 2.83Å; E455-K459 PolarHBondContact OE1-NZ 3.4Å
460F40.3Very low42.3Very low206 Ų206142.4 Ų142.490%0.90474%0.744SS**THydrogen-bonded Turntrans-107.715.6177.2-152.7-97.8000114.1R458R458-F460 VanDerWaalsContact C-N 3.26Å; R458-F460 PolarHBondContact O-N 3.05Å; R458-F460 VanDerWaalsContact O-N 3.16Å
461R50.6Low41.8Very low227 Ų227141.7 Ų141.786%0.85775%0.747SS**SBendtrans-116.7-14.5-178.1-170.6169-70.7-93.8-0.6114.8
462E47.4Very low41.8Very low178 Ų178140.6 Ų140.683%0.83275%0.752SS**SBendtrans-128.8126.1-173.8-64.9-176.8142.400111.1
463G34.3Very low41.2Very low83 Ų83143.9 Ų143.986%0.85677%0.766SS**  trans9689.5168.300000116.7
464N33Very low40.4Very low170 Ų170140 Ų14091%0.90976%0.761SS**  -153.6143.8107-161.41.1000110.4
465G34.2Very low39.4Very low59 Ų59140.6 Ų140.661%0.60877%0.769SS**  trans-172.7106.6179.400000113.2
466K36.7Very low39Very low185 Ų185144 Ų14480%0.80478%0.782SS**  trans71.4159.6168.6-38.8-179.4-177.4177.90113.9
467D34.3Very low38.5Very low140 Ų140149.5 Ų149.575%0.74980%0.796SS**  cis-145.7-171.916.2-122.6-51.2000112.2
468V32.9Very low37.8Very low140 Ų140150.3 Ų150.385%0.84880%0.803SS**  trans88.6132.6173.9-172.90000116.7
469S30.7Very low37.1Very low98 Ų98147.7 Ų147.769%0.68581%0.811SS**  160.6113-53.2178.50000110.8
470T30.1Very low36.9Very low140 Ų140143.9 Ų143.986%0.85982%0.818SS**  trans-154.981.1167.75.90000115.3
471K38.5Very low36.7Very low202 Ų202143.1 Ų143.188%0.87882%0.817SS**  trans64.5162.3150.4-71.9-174.6177.2179.40120.1
472P48.1Very low36.2Very low121 Ų121137.9 Ų137.979%0.78682%0.815SS**  trans-120.6162.2-160.141.3-28.6000115.7
473M31.9Very low35.9Very low190 Ų190137.6 Ų137.694%0.93682%0.818SS**  trans-135.8135.3152.3-171.968.677.100107.1
474G31.3Very low36.1Very low62 Ų62139 Ų13964%0.63982%0.816SS**  trans-125.5134.4-173.100000113.5
475N31.6Very low36.2Very low146 Ų146140.2 Ų140.278%0.78181%0.813SS**  trans-163.3139.8140-108.8-43.3000112.9
476K40.3Very low37Very low177 Ų177140.9 Ų140.977%0.7781%0.808SS**  trans9.3128.3149.9-53.2169.4-170.9179.40117.9
477M33.9Very low37.3Very low195 Ų195137.4 Ų137.496%0.96180%0.802SS**  -165166.297.7-98.6171.7-159.900110.5
478A36.5Very low37.9Very low101 Ų101138.2 Ų138.284%0.83580%0.802SS**  trans-139.6131.4-177.600000111.1
479S34.8Very low38.7Very low122 Ų122135.4 Ų135.485%0.85379%0.793SS**  trans-161.3137.715350.20000108.5
480G43.7Very low39.5Very low80 Ų80136.8 Ų136.883%0.82579%0.791SS**  trans-130.6115.4169.700000107.7
481E35.9Very low40.2Very low189 Ų189137.6 Ų137.688%0.88379%0.79SS**  trans-134.4126.6175-90-178.6154.600109.6
482S39.6Very low40.6Very low118 Ų118137 Ų13783%0.82579%0.787SS**  trans-92111.117936.10000109.9S484S482-S484 PolarHBondContact O-N 2.87Å
483L41.1Very low40.3Very low171 Ų171142.1 Ų142.190%0.89579%0.791SS**  trans-62.6108-177.1-66.9174.1000111.8F485L483-F485 PolarHBondContact O-N 3.21Å
484S38.3Very low40.8Very low114 Ų114138.7 Ų138.780%0.79778%0.782SS**  trans-85.1106.3177.447.60000110.9S482 S486S482-S484 PolarHBondContact O-N 2.87Å; S484-S486 PolarHBondContact O-N 3.19Å
485F36.7Very low41.2Very low195 Ų195140.7 Ų140.786%0.85579%0.793SS**  trans-77.581.4-176.1-140.5-86.8000111.5L483L483-F485 PolarHBondContact O-N 3.21Å
486S49.9Very low41.7Very low73 Ų73140.2 Ų140.251%0.5180%0.795SS.*  trans-74.7139.4-179.2-170.10000113S484 E488S484-S486 PolarHBondContact O-N 3.19Å; S486-E488 VanDerWaalsContact C-N 3.26Å; S486-E488 PolarHBondContact O-N 3.16Å
487V43Very low41.7Very low111 Ų111137.2 Ų137.267%0.67380%0.797SS**G310 helixtrans-68.9-22.9-175.2178.60000112.7A489 I490V487-A489 PolarHBondContact O-N 2.93Å; V487-A489 VanDerWaalsContact O-N 3.08Å; V487-I490 PolarHBondContact O-N 3.11Å
488E48Very low41.9Very low158 Ų158139.5 Ų139.574%0.73880%0.795SS**G310 helixtrans-51-32.5177.3-125.674.4-14600113.9S486 I490S486-E488 VanDerWaalsContact C-N 3.26Å; S486-E488 PolarHBondContact O-N 3.16Å; E488-I490 VanDerWaalsContact C-N 3.26Å; E488-I490 PolarHBondContact O-N 3.38Å
489A48.9Very low42.1Very low81 Ų81139 Ų13967%0.66979%0.79SS**G310 helixtrans-68.8-19.1-171.700000114.5V487V487-A489 PolarHBondContact O-N 2.93Å; V487-A489 VanDerWaalsContact O-N 3.08Å
490I48.5Very low42.3Very low127 Ų127143.2 Ų143.265%0.65179%0.794SS**G310 helixtrans-86.3-30-172.5-60.4176.4000111.9V487 E488 K492V487-I490 PolarHBondContact O-N 3.11Å; E488-I490 VanDerWaalsContact C-N 3.26Å; E488-I490 PolarHBondContact O-N 3.38Å; I490-K492 VanDerWaalsContact C-N 3.3Å; I490-K492 PolarHBondContact O-N 3.19Å
491L43.1Very low42.3Very low157 Ų157151.4 Ų151.482%0.82281%0.81SS**SBendtrans-85.18.5-172.2-68.7174.5000114.7
492K48.2Very low42.6Very low190 Ų190149.6 Ų149.683%0.82681%0.806SS**  trans-132.756.6-171.2-150.2168.4-172.3174.30114.7I490I490-K492 VanDerWaalsContact C-N 3.3Å; I490-K492 PolarHBondContact O-N 3.19Å
493R42Very low42.7Very low228 Ų228151.2 Ų151.286%0.8681%0.805SS**  trans-111.9132.1158.2-66.4-173.4-175.51791.2109.8
494P42.3Very low42.8Very low117 Ų117150.1 Ų150.176%0.7680%0.8SS**  trans-70.5144.4169.930.8-33.6000110.3V496P494-V496 PolarHBondContact O-N 2.83Å
495A39.8Very low43.1Very low105 Ų105152.2 Ų152.287%0.86880%0.801SS**  trans-74.8119.7174.800000110.2
496V41.6Very low43.5Very low135 Ų135149.6 Ų149.682%0.81880%0.797SS**  trans-93.599.7174-172.70000108.6P494P494-V496 PolarHBondContact O-N 2.83Å
497S40.9Very low43.1Very low115 Ų115154.7 Ų154.780%0.80482%0.816SS**  trans-67.7127.8169.254.30000110.2
498R36.2Very low43.1Very low243 Ų243157.8 Ų157.892%0.91783%0.826SS**  trans-128116.7162.2-155.3168.3-170.1160.92.8108.9
499A41.8Very low42.7Very low90 Ų90157.8 Ų157.874%0.74483%0.833SS**  trans-84.2173.3179.700000111.2
500F39.2Very low42.2Very low211 Ų211164.2 Ų164.293%0.92585%0.847SS**  trans-40.4137.4167.4-67.1-101.1000113.1
501H42.5Very low41.6Very low252 Ų252167.5 Ų167.5100%1.16787%0.865SS**  -146.90109.6-145.9-49.2000110.7

Retrieved 501 of 501 residues in 1377 ms (Link to these results)