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TOX high mobility group box family member 4

Transcription factor that modulates cell fate reprogramming from the somatic state to the pluripotent and neuronal fate. In liver, controls the expression of hormone-regulated gluconeogenic genes such as G6PC1 and PCK1. This regulation is independent of the insulin receptor activation. Also acts as a regulatory component of protein phosphatase 1 (PP1) complexes. Component of the PNUTS-PP1 protein phosphatase complex, a PP1 complex that regulates RNA polymerase II transcription pause-release (By similarity). PNUTS-PP1 also plays a role in the control of chromatin structure and cell cycle progression during the transition from mitosis into interphase (By similarity).

AlphaFold DB , UniProt , Accession Q99PM1, Species RAT (Rattus norvegicus, Rat), Gene Tox4, Length 619 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
1M48.2Very low47.9Very low253 Ų253151.1 Ų151.1100%1.24682%0.824SS**  0120.20-85.8175.8168.900106.6
2E47.3Very low47.2Very low168 Ų168148.7 Ų148.779%0.78582%0.817SS**  trans-145.1140.1-166.9-175.5175.7104.300108.3
3F56.3Low47.3Very low208 Ų208147.8 Ų147.891%0.91281%0.809SS**  trans-138.8114.1160.4-96.9-78.9000106.6
4P56.5Low47.2Very low108 Ų108148 Ų14870%0.70182%0.817SS**  trans-73.6163.7178.931.1-35000111.4
5G45.6Very low46.9Very low80 Ų80141.8 Ų141.883%0.82580%0.8SS**  trans-90-165.9-178.100000115
6G43.1Very low46.7Very low77 Ų77141.3 Ų141.379%0.79480%0.804SS**  trans92.7147.3-172.800000111.8
7N46.6Very low46.5Very low127 Ų127138.9 Ų138.968%0.67980%0.798SS**  cis-152.7147.912.54336.6000112.4N9N7-N9 PolarHBondContact O-N 3.44Å
8D44.3Very low46.4Very low170 Ų170142.2 Ų142.291%0.90981%0.805SS**  trans-70.3118.3157.6-66.1-89.2000108.3
9N47.8Very low46.4Very low125 Ų125140.7 Ų140.767%0.66880%0.802SS**  trans-135.185.5177.6-119.2-43.2000111.9N7N7-N9 PolarHBondContact O-N 3.44Å
10Y39.3Very low46.2Very low206 Ų206143.3 Ų143.381%0.80880%0.804SS**  trans13107.8133.1-139.5-88.1000116.4
11L51.6Low46.4Very low140 Ų140144.9 Ų144.973%0.73381%0.81SS**  trans-162.697148.8-112.7165.9000111.8I13L11-I13 HydrophobicContact CB-CG1 4.36Å; L11-I13 HydrophobicContact CD2-CD1 4.26Å; L11-I13 HydrophobicContact CD2-CG1 3.85Å; L11-I13 PolarHBondContact O-N 3.38Å
12T40.3Very low46.1Very low122 Ų122139 Ų13975%0.74879%0.794SS**  trans-64.6115158.823.70000109.3
13I48.5Very low46Very low138 Ų138134.7 Ų134.771%0.70879%0.794SS**  trans-118.793.4173.8-58.9-177.9000109.7L11L11-I13 HydrophobicContact CB-CG1 4.36Å; L11-I13 HydrophobicContact CD2-CD1 4.26Å; L11-I13 HydrophobicContact CD2-CG1 3.85Å; L11-I13 PolarHBondContact O-N 3.38Å
14T46.1Very low45.3Very low150 Ų150129.5 Ų129.592%0.9279%0.79SS**  trans-93.8107.6162.1-54.50000107.5
15G42.5Very low45Very low55 Ų55132.6 Ų132.657%0.56780%0.795SS**  trans-169.9130.1-177.100000112.9
16P43.3Very low44.7Very low133 Ų133134.3 Ų134.386%0.86479%0.789SS**  trans-101.8113.1-169.235.4-31.5000114.2
17S43.2Very low44.9Very low101 Ų101139.7 Ų139.771%0.70679%0.791SS**  trans-16653.5169.548.50000116.1
18H44.8Very low44.9Very low198 Ų198141.1 Ų141.192%0.91779%0.793SS**  trans-12698.4163-86.1-71.6000112
19P45.9Very low44.7Very low115 Ų115139 Ų13975%0.74779%0.787SS**  trans-79.9-179.3171.935-35.6000111.7
20F43.2Very low44.8Very low191 Ų191138.6 Ų138.684%0.83879%0.791SS**  trans83.244.7162.2-129.9-82.9000118.9
21L50.1Low45Very low178 Ų178134.6 Ų134.693%0.93279%0.793SS**  trans-139.488138.3-80.2-172.9000110.2
22S42.1Very low44.8Very low130 Ų130134.4 Ų134.491%0.90979%0.792SS**  trans-107.6123.6167.3-60.40000109.3
23G44.4Very low45Very low77 Ų77130.7 Ų130.779%0.79478%0.779SS**  trans-173.7100.917900000108.9E25G23-E25 PolarHBondContact O-N 2.97Å
24A42.4Very low44.8Very low99 Ų99132.6 Ų132.682%0.81879%0.79SS**  trans-79.2118.4-164.800000113.2
25E49.5Very low45Very low173 Ų173131.4 Ų131.481%0.80877%0.774SS**  trans-134.8114.8148.1-77.3-155.394.700109.6G23 F27G23-E25 PolarHBondContact O-N 2.97Å; E25-F27 PolarHBondContact O-N 3.37Å
26T40.5Very low45.5Very low116 Ų116137.2 Ų137.271%0.71279%0.786SS**  trans-88.495.6-176.5-53.50000110.6H28T26-H28 PolarHBondContact O-N 3.01Å
27F45.7Very low45.8Very low189 Ų189139.4 Ų139.483%0.82978%0.783SS**  trans-89.297164.8-97.4-88.6000110.8E25 T29E25-F27 PolarHBondContact O-N 3.37Å; F27-T29 PolarHBondContact O-N 3.21Å
28H48Very low46.6Very low157 Ų157141.9 Ų141.973%0.72778%0.783SS**  trans-55129.5170.1-86.8-100.3000110.8T26 P30T26-H28 PolarHBondContact O-N 3.01Å; H28-P30 VanDerWaalsContact O-CD 3.31Å; H28-P30 WeakPolarHBondContact O-CD 3.3Å
29T40.4Very low47.2Very low125 Ų125139.2 Ų139.277%0.76777%0.774SS**  trans-65.1117.4150.544.50000108.2F27 S31F27-T29 PolarHBondContact O-N 3.21Å; T29-S31 PolarHBondContact O-N 3.1Å; T29-S31 VanDerWaalsContact O-N 3.08Å
30P50Low47.8Very low117 Ų117138.5 Ų138.576%0.7677%0.769SS**  trans-70.8106.117129.1-31.7000108.4H28 L32H28-P30 VanDerWaalsContact O-CD 3.31Å; H28-P30 WeakPolarHBondContact O-CD 3.3Å; P30-L32 PolarHBondContact O-N 3.32Å
31S43.2Very low48.5Very low122 Ų122134.5 Ų134.585%0.85376%0.763SS**  trans-75.472.3165.7-177.60000109.1T29T29-S31 PolarHBondContact O-N 3.1Å; T29-S31 VanDerWaalsContact O-N 3.08Å
32L46Very low48.4Very low136 Ų136132.6 Ų132.671%0.71275%0.752SS**  trans-80.4116.9154.8-145.572000104.5P30P30-L32 PolarHBondContact O-N 3.32Å
33G45.3Very low48.5Very low45 Ų45131.7 Ų131.746%0.46475%0.745SS.*  73.610682.100000107E35G33-E35 PolarHBondContact O-N 2.93Å
34D44.6Very low48.6Very low177 Ų177134.7 Ų134.795%0.94774%0.743SS**  cis47.724.835.8-133.2-116.3000112.4
35E48.9Very low48.8Very low126 Ų126137 Ų13759%0.58974%0.741SS**  trans-95.6106.4152.1-70.8-172.896.800106.1G33 F37G33-E35 PolarHBondContact O-N 2.93Å; E35-F37 VanDerWaalsContact C-N 3.27Å; E35-F37 HydrophobicContact CB-CE2 4.48Å; E35-F37 PolarHBondContact O-N 3.41Å
36E53.5Low48.7Very low176 Ų176133.7 Ų133.782%0.82274%0.737SS**  trans-5989.7170.8-177.7166.235.900108.9E38E36-E38 HydrophobicContact CG-CB 4.45Å; E36-E38 PolarHBondContact O-N 3.1Å
37F50.4Low48.8Very low179 Ų179132.6 Ų132.679%0.78573%0.727SS**  trans-70.374.3163.2-90.2-89.8000108.1E35 I39E35-F37 VanDerWaalsContact C-N 3.27Å; E35-F37 HydrophobicContact CB-CE2 4.48Å; E35-F37 PolarHBondContact O-N 3.41Å; F37-I39 VanDerWaalsContact C-N 3.26Å; F37-I39 PolarHBondContact O-N 3.37Å
38E60.4Low49.3Very low153 Ų153129 Ų12972%0.71572%0.722SS**  trans-53.595.2163-169.8-177.8164.800106.6E36 P40E36-E38 HydrophobicContact CG-CB 4.45Å; E36-E38 PolarHBondContact O-N 3.1Å; E38-P40 VanDerWaalsContact O-CD 3.22Å; E38-P40 WeakPolarHBondContact O-CD 3.43Å
39I55.8Low49.4Very low143 Ų143126 Ų12673%0.73372%0.719SS**  trans-61.2111.8177-60.5175.8000104.5F37F37-I39 VanDerWaalsContact C-N 3.26Å; F37-I39 PolarHBondContact O-N 3.37Å
40P59.4Low49.6Very low99 Ų99126.6 Ų126.664%0.64372%0.717SS**  trans-57.1133.3-174.423.2-33.2000107.2E38 I42E38-P40 VanDerWaalsContact O-CD 3.22Å; E38-P40 WeakPolarHBondContact O-CD 3.43Å; P40-I42 PolarHBondContact O-N 3.33Å
41P57.7Low49.3Very low107 Ų107124.2 Ų124.270%0.69571%0.708SS**  trans-52.6124.1-174.721.3-32.9000107.6S43P41-S43 VanDerWaalsContact C-N 3.29Å; P41-S43 PolarHBondContact O-N 2.89Å
42I49Very low49.5Very low139 Ų139125.3 Ų125.371%0.71371%0.709SS**  trans-63.496.9-178.444.5160.4000108.1P40 L44P40-I42 PolarHBondContact O-N 3.33Å; I42-L44 PolarHBondContact O-N 3.01Å
43S42.6Very low49.4Very low110 Ų110124.2 Ų124.277%0.76971%0.713SS**  trans-59.195.1168-67.40000107.1P41 D45P41-S43 VanDerWaalsContact C-N 3.29Å; P41-S43 PolarHBondContact O-N 2.89Å; S43-D45 PolarHBondContact O-N 3.42Å
44L48.2Very low49.2Very low141 Ų141129.1 Ų129.174%0.73873%0.728SS**  trans-69.263.6157.6-68.1172.3000107.1I42 S46I42-L44 PolarHBondContact O-N 3.01Å; L44-S46 PolarHBondContact O-N 3.33Å; L44-S46 PolarHBondContact O-OG 3.43Å
45D45.2Very low49.3Very low147 Ų147127.4 Ų127.479%0.78672%0.723SS**  trans-52.1110.2162.4-167-106.4000105.3S43 D47S43-D45 PolarHBondContact O-N 3.42Å; D45-D47 VanDerWaalsContact C-N 3.27Å; D45-D47 PolarHBondContact O-N 3.15Å
46S47.5Very low49.1Very low103 Ų103128 Ų12872%0.7274%0.736SS**  trans-8381.2-157.6-67.20000108.4L44 P48L44-S46 PolarHBondContact O-N 3.33Å; L44-S46 PolarHBondContact O-OG 3.43Å; S46-P48 VanDerWaalsContact O-CD 3.3Å; S46-P48 WeakPolarHBondContact O-CD 3.4Å
47D43.7Very low48.4Very low93 Ų93123.6 Ų123.650%0.49773%0.729SS.*  trans-47.6110.7-174.7-174.3-62.3000110.3D45 S49 L50D45-D47 VanDerWaalsContact C-N 3.27Å; D45-D47 PolarHBondContact O-N 3.15Å; D47-S49 PolarHBondContact O-N 3.47Å; D47-S49 VanDerWaalsContact O-N 3.1Å; D47-S49 WeakPolarHBondContact OD1-CA 3.01Å; D47-S49 VanDerWaalsContact OD1-CB 3.23Å; D47-S49 WeakPolarHBondContact OD1-CB 3.4Å; D47-S49 PolarHBondContact OD1-N 3.27Å; D47-S49 PolarHBondContact OD1-OG 3.19Å; D47-L50 PolarHBondContact O-N 2.99Å
48P56.4Low48.4Very low113 Ų113123.7 Ų123.773%0.73473%0.732SS**G310 helixtrans-75.5-0.3-169.730-35.1000112.9S46S46-P48 VanDerWaalsContact O-CD 3.3Å; S46-P48 WeakPolarHBondContact O-CD 3.4Å
49S48.6Very low47.3Very low95 Ų95123.3 Ų123.366%0.66473%0.728SS**G310 helixtrans-83.1-15.8175.677.30000113.8D47D47-S49 PolarHBondContact O-N 3.47Å; D47-S49 VanDerWaalsContact O-N 3.1Å; D47-S49 WeakPolarHBondContact OD1-CA 3.01Å; D47-S49 VanDerWaalsContact OD1-CB 3.23Å; D47-S49 WeakPolarHBondContact OD1-CB 3.4Å; D47-S49 PolarHBondContact OD1-N 3.27Å; D47-S49 PolarHBondContact OD1-OG 3.19Å
50L45.1Very low46.5Very low137 Ų137124.5 Ų124.572%0.71774%0.736SS**G310 helixtrans-102.615178.6-59-174.7000113.6D47 V52D47-L50 PolarHBondContact O-N 2.99Å; L50-V52 VanDerWaalsContact C-N 3.31Å; L50-V52 PolarHBondContact O-N 2.9Å
51A44.2Very low45.5Very low68 Ų68124.9 Ų124.956%0.56273%0.733SS**  trans-73.475.5177.500000112.5S53A51-S53 PolarHBondContact O-N 3.33Å
52V46.8Very low45.1Very low145 Ų145126.4 Ų126.488%0.87973%0.734SS**  trans-74.955.7168.8-70.80000112L50L50-V52 VanDerWaalsContact C-N 3.31Å; L50-V52 PolarHBondContact O-N 2.9Å
53S43.4Very low44.6Very low113 Ų113124.5 Ų124.579%0.7974%0.739SS**  trans-131.735-176.5-63.10000112.3A51A51-S53 PolarHBondContact O-N 3.33Å
54D41.7Very low44.3Very low147 Ų147125.8 Ų125.879%0.78674%0.738SS**  trans-137.879.2176.6-152-46.2000111.6
55V46.8Very low44.1Very low141 Ų141124.4 Ų124.486%0.85574%0.737SS**SBendtrans-151.720.6164.477.10000112.1
56V44.4Very low43.5Very low140 Ų140121.2 Ų121.285%0.84873%0.726SS**SBendtrans-140.548.1-178.1-162.50000111.7
57A38.7Very low42.9Very low83 Ų83121.4 Ų121.469%0.68673%0.727SS**  trans-172.377.2162.100000113.2
58H50.3Low42.8Very low181 Ų181121.4 Ų121.484%0.83874%0.735SS**  trans-156.1121159.4-134.3-74.2000112.6
59F38.5Very low42.1Very low144 Ų144125 Ų12563%0.63274%0.742SS**  trans60.9106.3156.9-150.4-97.6000116.1D61F59-D61 HydrophobicContact CD1-CB 4.22Å; F59-D61 HydrophobicContact CD2-CB 4.26Å; F59-D61 HydrophobicContact CE1-CB 3.68Å; F59-D61 HydrophobicContact CE2-CB 3.73Å; F59-D61 HydrophobicContact CG-CB 4.5Å; F59-D61 HydrophobicContact CZ-CB 3.42Å; F59-D61 VanDerWaalsContact CZ-CB 3.42Å
60D38.6Very low41.7Very low168 Ų168127.9 Ų127.990%0.89875%0.75SS**  cis55.758.411.8-137.5-75.6000115.4
61D38Very low41.5Very low108 Ų108124.4 Ų124.458%0.57875%0.747SS**  trans-163.4167.4140.5-161.9-167.7000110F59F59-D61 HydrophobicContact CD1-CB 4.22Å; F59-D61 HydrophobicContact CD2-CB 4.26Å; F59-D61 HydrophobicContact CE1-CB 3.68Å; F59-D61 HydrophobicContact CE2-CB 3.73Å; F59-D61 HydrophobicContact CG-CB 4.5Å; F59-D61 HydrophobicContact CZ-CB 3.42Å; F59-D61 VanDerWaalsContact CZ-CB 3.42Å
62L49Very low41.4Very low138 Ų138126.6 Ų126.672%0.72376%0.758SS**  trans70.373.5163.1-52.1-174.7000119.6
63A38.8Very low40.9Very low100 Ų100128.5 Ų128.583%0.82676%0.755SS**  trans8.1147135.900000123.3
64D36.5Very low40.8Very low137 Ų137127.4 Ų127.473%0.73375%0.748SS**  trans-54.9147.3163.8-176.1-121.6000113.6S66D64-S66 VanDerWaalsContact CG-N 3.29Å; D64-S66 PolarHBondContact OD1-N 3.49Å; D64-S66 PolarHBondContact OD2-N 3.38Å
65P43.4Very low40.9Very low111 Ų111124.4 Ų124.472%0.72174%0.743SS**  -144.3109.310835.5-19000115.8
66S33.6Very low40.9Very low81 Ų81124.9 Ų124.957%0.56674%0.736SS**  45132.9127.376.20000122.4D64D64-S66 VanDerWaalsContact CG-N 3.29Å; D64-S66 PolarHBondContact OD1-N 3.49Å; D64-S66 PolarHBondContact OD2-N 3.38Å
67S34.5Very low40.6Very low106 Ų106128 Ų12874%0.74173%0.734SS**  trans100.8143.8131.286.20000121.9
68S41Very low40.6Very low94 Ų94127.3 Ų127.366%0.65773%0.734SS**  trans102.3107.7140-56.60000120.5
69Q42.8Very low40.2Very low187 Ų187126 Ų12687%0.87474%0.739SS**  trans65.9154.1139.3-70.9178.8-9.200118.8
70D40.7Very low40.2Very low156 Ų156127.3 Ų127.383%0.83475%0.747SS**  cis-158.4180-26.5-163.5-80000105.4
71G39.8Very low40.2Very low64 Ų64125.6 Ų125.666%0.6674%0.743SS**  trans133.237.7165.300000120.2
72S43.1Very low40.5Very low114 Ų114127.8 Ų127.880%0.79775%0.754SS**  trans52.3116.8138.8-147.40000122.4
73F36.2Very low40.2Very low186 Ų186128.2 Ų128.282%0.81676%0.757SS**  trans89.3111.6132.2-154.4-103.7000122.1
74S40.6Very low40.6Very low90 Ų90131.3 Ų131.363%0.62976%0.756SS**  trans50.4131144.5-53.40000119.5
75A44.1Very low41.2Very low84 Ų84130 Ų13069%0.69476%0.755SS**  cis-168.7164.52200000109.4
76Q46.6Very low41Very low151 Ų151130.5 Ų130.571%0.70676%0.756SS**  cis-160.6171.7-6.8-119.3171.6-3.700110.9G78Q76-G78 PolarHBondContact O-N 3.34Å
77Y38.7Very low41.6Very low206 Ų206130.4 Ų130.481%0.80877%0.767SS**  trans17.487.5162.1-49.8-53.5000120.1
78G37.2Very low42Very low67 Ų67133.4 Ų133.469%0.69177%0.772SS**PPolyproline II helixtrans-89160.2148.800000111.7Q76Q76-G78 PolarHBondContact O-N 3.34Å
79V43.5Very low42.2Very low153 Ų153136.3 Ų136.393%0.92779%0.786SS**PPolyproline II helixtrans-75.1133.8-179.3-176.80000110.7
80Q38.2Very low41.9Very low172 Ų172136.4 Ų136.480%0.80479%0.786SS**PPolyproline II helixtrans-81.2130.6-179.5-64.7-178.5104.600111.7
81T38Very low41.9Very low133 Ų133132.5 Ų132.582%0.81678%0.782SS**PPolyproline II helixtrans-101.3146.7152.6-167.50000108.2
82L45.2Very low42.2Very low154 Ų154137.1 Ų137.181%0.80679%0.791SS**  trans-134.7125170.7-78177.4000109.5
83D41Very low42.4Very low146 Ų146139.9 Ų139.978%0.78179%0.793SS**  trans-87159.1178.6-176.1-116.3000111.4
84M48.4Very low42.5Very low165 Ų165138.1 Ų138.181%0.81379%0.788SS**  trans-131.6101.9-177.2-178.470.874.800110.6
85P47.8Very low42.6Very low109 Ų109141.8 Ų141.871%0.70880%0.795SS**  trans-76.5138-178.429.9-34.3000112.4
86V39.8Very low42.4Very low123 Ų123141.7 Ų141.775%0.74580%0.802SS**  trans-85.1126.8173.1169.10000110.3M88V86-M88 HydrophobicContact CG1-CE 4.17Å; V86-M88 HydrophobicContact CG1-CG 4.05Å
87G46.7Very low41.9Very low78 Ų78138.5 Ų138.580%0.80481%0.81SS**  trans-112119.5167.400000111.1
88M42.9Very low41.8Very low170 Ų170132 Ų13284%0.83781%0.805SS**  trans-102.8130.3176.2-58.9178.6-174.100110.8V86V86-M88 HydrophobicContact CG1-CE 4.17Å; V86-M88 HydrophobicContact CG1-CG 4.05Å
89T45.7Very low42.1Very low155 Ų155136 Ų13695%0.95181%0.81SS**  trans-140.8155.2157.3470000111
90H35.9Very low42.3Very low188 Ų188136.4 Ų136.487%0.8781%0.806SS**  trans-120128.8-165.6154.7-71.6000109.7
91G40.7Very low42.2Very low74 Ų74133.6 Ų133.676%0.76381%0.805SS**  trans-164.887.4-171.500000115.7
92L45.1Very low42.4Very low162 Ų162131.4 Ų131.485%0.84881%0.81SS**  trans-18133.7147.2-172.678.2000116.1
93M47.9Very low41.8Very low171 Ų171127.6 Ų127.684%0.84281%0.807SS**  162.5142.7115.1-170.8148.7161.100114.2
94E38.2Very low41.9Very low149 Ų149129.4 Ų129.470%0.69682%0.816SS**  trans-73.2139.5174180-153.610500112.5
95Q42.4Very low41.2Very low167 Ų167127.6 Ų127.678%0.7881%0.814SS**  155.7145.1127.5-84-176.610.400114.8
96G39.8Very low41.4Very low82 Ų82131.8 Ų131.885%0.84583%0.827SS**  trans106.188.5133.600000121.6
97G36Very low41.3Very low84 Ų84132.8 Ų132.887%0.86683%0.828SS**  96.5149.7127.800000121
98G38.1Very low41Very low69 Ų69136 Ų13671%0.71183%0.826SS**  trans95.3106.4178.300000112.7
99L42.8Very low40.7Very low151 Ų151132.8 Ų132.879%0.79181%0.812SS**  54.6119.157.6-50.5174000110.5
100L47Very low40.4Very low163 Ų163134.6 Ų134.685%0.85381%0.81SS**  cis-134.1130.843.9-34.2170000109.8
101S37Very low40.4Very low112 Ų112130.1 Ų130.178%0.78380%0.799SS**  57.4109.773.6-680000115.3
102G41.9Very low40.5Very low88 Ų88135 Ų13591%0.90781%0.806SS**  trans169.440.4176.300000117.1
103G33.4Very low40.1Very low73 Ų73130.1 Ų130.175%0.75379%0.794SS**  trans-101.5145.5-179.600000114.1
104L43.5Very low39.6Very low185 Ų185128.5 Ų128.597%0.96979%0.794SS**  trans-136.5131156.5-78.8-178.5000110
105T33.1Very low39.5Very low126 Ų126129.5 Ų129.577%0.77380%0.799SS**  trans-101.3139.8169.6173.90000109.1
106M52Low39.3Very low198 Ų198132.4 Ų132.498%0.97581%0.805SS**  trans-146.4151.8153.4-80.5-153160.300109.3
107D36.9Very low39.2Very low144 Ų144133.3 Ų133.377%0.7780%0.798SS**  trans-125.6173.5-157.1-179.5-137.5000112
108L41.3Very low39.5Very low144 Ų144133.7 Ų133.775%0.75479%0.793SS**  trans86.2107151.8-153.561.9000119
109D36.3Very low39.7Very low104 Ų104137 Ų13756%0.55679%0.794SS**  trans29.7139.5144.8-166.9-113.5000121.5S111D109-S111 PolarHBondContact OD2-N 3.36Å; D109-S111 PolarHBondContact OD2-OG 3.44Å
110H39Very low40.3Very low193 Ų193135 Ų13589%0.89479%0.79SS**  -157.3112.5128-102.978.4000108.6
111S37Very low40.7Very low94 Ų94133.2 Ų133.266%0.65779%0.789SS**  trans-86.3137.4-174.8-69.60000114.4D109D109-S111 PolarHBondContact OD2-N 3.36Å; D109-S111 PolarHBondContact OD2-OG 3.44Å
112I42Very low41.6Very low177 Ų177134.7 Ų134.791%0.90879%0.792SS**  trans-171.4148.5149.9-111.8163.3000113.8
113G36.4Very low42.4Very low58 Ų58136.4 Ų136.460%0.59879%0.785SS**  trans97.662135.900000120.6Q115G113-Q115 PolarHBondContact O-N 3.31Å
114T37.4Very low43.7Very low137 Ų137140.1 Ų140.184%0.8479%0.786SS**  trans-18.7117.2154.4-52.20000116.7
115Q37.1Very low44.2Very low170 Ų170137.8 Ų137.879%0.79478%0.775SS**  trans-179.3130.3134.344-130.6-44.800112.7G113G113-Q115 PolarHBondContact O-N 3.31Å
116Y37.2Very low45.6Very low229 Ų229137.2 Ų137.290%0.89877%0.771SS**  trans-135.8115.4166.2-107.6-86.2000110
117S37.2Very low45.8Very low100 Ų100132.7 Ų132.770%0.69976%0.757SS**  trans-78.7152.7172.2-178.20000110.6N119S117-N119 PolarHBondContact O-ND2 2.61Å
118A43.3Very low46.1Very low93 Ų93134.8 Ų134.877%0.76976%0.764SS**  trans-59.8141.2162.700000110.1
119N41.6Very low46.5Very low138 Ų138134 Ų13474%0.73877%0.765SS**  trans-109.2141.1175.2-79.4-84.6000110.1S117S117-N119 PolarHBondContact O-ND2 2.61Å
120P56.1Low46.8Very low108 Ų108135.7 Ų135.770%0.70177%0.774SS**PPolyproline II helixtrans-76163.4177.432.7-35.6000112.4
121P55.3Low47.2Very low127 Ų127134.7 Ų134.783%0.82577%0.772SS**PPolyproline II helixtrans-68.4147.2178.128.9-35.5000112.6
122V55.1Low47.4Very low142 Ų142135 Ų13586%0.86177%0.77SS**PPolyproline II helixtrans-72.5129.9-178.5-176.50000110.9
123T58.8Low47.4Very low124 Ų124132.6 Ų132.676%0.76177%0.769SS**PPolyproline II helixtrans-95.7147.7164.4-170.50000110.4
124I61.2Low47.6Very low151 Ų151133.4 Ų133.477%0.77478%0.778SS**PPolyproline II helixtrans-96.3117.5174.7-63.5170.6000107.5V126I124-V126 HydrophobicContact CG2-CG2 4.3Å
125D54.6Low48.1Very low137 Ų137134.1 Ų134.173%0.73378%0.776SS**PPolyproline II helixtrans-99.1138.1172-166.7-94.3000109.6
126V61Low48.9Very low114 Ų114134.8 Ų134.869%0.69178%0.781SS**  trans-123.8107177.9178.70000108I124 M128I124-V126 HydrophobicContact CG2-CG2 4.3Å; V126-M128 PolarHBondContact O-N 3.4Å
127P56.1Low49.1Very low103 Ų103127.6 Ų127.667%0.66978%0.776SS**  trans-73.8119.4-174.127.9-34.2000111.6
128M43.1Very low49.4Very low187 Ų187132.1 Ų132.192%0.92179%0.786SS**  trans-88.3103.8168.7-76.3-99.1-75.600109.8V126V126-M128 PolarHBondContact O-N 3.4Å
129T51Low49.4Very low128 Ų128132.8 Ų132.879%0.78579%0.785SS**  trans-89.5112176.350.60000112.3
130D41.7Very low49.5Very low139 Ų139134.9 Ų134.974%0.74379%0.791SS**  trans24.7112146.6-149.5-53.3000119.2T132D130-T132 PolarHBondContact OD1-N 3.45Å; D130-T132 VanDerWaalsContact OD1-N 3.15Å
131M47.5Very low48.5Very low172 Ų172138.1 Ų138.185%0.84780%0.801SS**  trans-135.687.9148.6-70.5-158.483.900111.6
132T41.4Very low48.2Very low100 Ų100138.1 Ų138.161%0.61380%0.799SS**  trans56105.3135.861.50000120.4D130D130-T132 PolarHBondContact OD1-N 3.45Å; D130-T132 VanDerWaalsContact OD1-N 3.15Å
133S41.9Very low47.8Very low127 Ų127137.5 Ų137.589%0.88880%0.795SS**  54.3109.7124.4-53.10000120.8
134G40.8Very low47.4Very low76 Ų76138.3 Ų138.378%0.78479%0.793SS**  trans-167.632.2178.300000121.7
135L48.9Very low46.7Very low152 Ų152136.2 Ų136.280%0.79678%0.784SS**  trans48125.2159-75.8164.7000122.1
136M52.2Low46.3Very low184 Ų184138 Ų13891%0.90679%0.788SS**  trans70.4134.3149.5-61.1177.517200120
137G41.6Very low45.9Very low77 Ų77136.7 Ų136.779%0.79478%0.784SS**  trans139.248.7161.100000118.7S139G137-S139 PolarHBondContact O-N 3.5Å
138H43.6Very low45.7Very low195 Ų195138.8 Ų138.890%0.90379%0.785SS**  trans-73121.6171.6-74.5-83.5000112.4
139S44.8Very low46Very low108 Ų108136.9 Ų136.976%0.75578%0.777SS**  trans-172.4129.8143.3-90.20000114.9G137G137-S139 PolarHBondContact O-N 3.5Å
140Q43.3Very low45.6Very low182 Ų182135.9 Ų135.985%0.8578%0.775SS**  trans58.6123.1153.2-48.1-60.67.200120.8
141L35.4Very low46Very low175 Ų175133.8 Ų133.892%0.91677%0.772SS**  trans-94.4129.2165.9-71.3156.6000110.2
142T48.3Very low45.9Very low128 Ų128134 Ų13479%0.78577%0.771SS**  trans-143.5137.8153.366.20000112.2
143T45.9Very low45.8Very low128 Ų128137.6 Ų137.679%0.78579%0.785SS**  trans-19133.8163.1175.40000117.9
144I50.8Low45.7Very low141 Ų141134.4 Ų134.472%0.72377%0.772SS**  trans-105.4130.9156.8-82172.6000108.3
145D47.7Very low46Very low108 Ų108139.5 Ų139.558%0.57878%0.781SS**  trans-85.9156.2179174.8-104.6000111.9S147D145-S147 PolarHBondContact O-N 2.91Å; D145-S147 WeakPolarHBondContact OD1-CB 3.09Å; D145-S147 PolarHBondContact OD1-N 3.24Å; D145-S147 PolarHBondContact OD1-OG 2.93Å
146Q45Very low45.5Very low175 Ų175137.2 Ų137.282%0.81878%0.778SS**THydrogen-bonded Turntrans-73.410.7-174.2-70.3-166.5102.300115.5
147S53.9Low45.1Very low85 Ų85136.4 Ų136.459%0.59478%0.776SS**THydrogen-bonded Turntrans-74.6-21.6179.3-62.20000114.5D145 L149D145-S147 PolarHBondContact O-N 2.91Å; D145-S147 WeakPolarHBondContact OD1-CB 3.09Å; D145-S147 PolarHBondContact OD1-N 3.24Å; D145-S147 PolarHBondContact OD1-OG 2.93Å; S147-L149 PolarHBondContact O-N 2.94Å
148E50.5Low44.9Very low148 Ų148136 Ų13669%0.69277%0.772SS**G310 helixtrans-75.7-25.2-168.5-149.6173.311600114.7S150E148-S150 PolarHBondContact O-N 3.15Å; E148-S150 VanDerWaalsContact O-N 3.14Å
149L49.1Very low44.5Very low146 Ų146130.5 Ų130.576%0.76477%0.768SS**G310 helixtrans-68.7-10.2-178.7-83.1164.7000114.6S147S147-L149 PolarHBondContact O-N 2.94Å
150S43.9Very low44.2Very low107 Ų107128.5 Ų128.575%0.74876%0.764SS**G310 helixtrans-90.3-7.2-176.4-60.90000114.4E148E148-S150 PolarHBondContact O-N 3.15Å; E148-S150 VanDerWaalsContact O-N 3.14Å
151S49.6Very low43.8Very low95 Ų95126.6 Ų126.666%0.66477%0.765SS**SBendtrans-97.1-9.7-173-62.20000115.1L153 G154S151-L153 PolarHBondContact O-N 3.26Å; S151-G154 PolarHBondContact O-N 3.14Å
152Q44.5Very low44.2Very low177 Ų177126.7 Ų126.783%0.82777%0.765SS**THydrogen-bonded Turntrans-76.6-5.6-176.6-155.2173.715.300114.3
153L40.5Very low43.9Very low175 Ų175128.2 Ų128.292%0.91677%0.767SS**THydrogen-bonded Turntrans-10433.9173.1-64.5178.8000112.7S151 L155S151-L153 PolarHBondContact O-N 3.26Å; L153-L155 PolarHBondContact O-N 2.89Å
154G40.3Very low44Very low60 Ų60127.3 Ų127.362%0.61976%0.764SS**  trans-8772.3177.200000114.7S151S151-G154 PolarHBondContact O-N 3.14Å
155L45.7Very low43.5Very low184 Ų184126.2 Ų126.296%0.96377%0.766SS**  trans-103.183.2156.6-74.3-177.2000109.3L153L153-L155 PolarHBondContact O-N 2.89Å
156S38.1Very low42.9Very low104 Ų104125.6 Ų125.673%0.72778%0.776SS**  trans-109126.6-179.6-177.30000111.1
157L44Very low42.8Very low167 Ų167126 Ų12687%0.87478%0.778SS**  trans-169.9132.1150.3-122.466.7000105.2
158G38.3Very low42.1Very low68 Ų68127.7 Ų127.770%0.70179%0.789SS**  cis85.4125.32000000110.1
159G36Very low41.7Very low80 Ų80126 Ų12683%0.82579%0.791SS**  cis153.4135.3-2.600000110.5
160G37.5Very low41.1Very low66 Ų66127.9 Ų127.968%0.6880%0.796SS**  trans103.2125-178.800000113
161T35.2Very low40.9Very low141 Ų141128.6 Ų128.687%0.86579%0.792SS**  cis81.498.548.565.90000115.5
162I43Very low40.6Very low177 Ų177133 Ų13391%0.90879%0.794SS**  trans-142.4164.5137.9-70.9-158.6000107.6
163L42.8Very low40.6Very low160 Ų160131.6 Ų131.684%0.83879%0.791SS**  trans-101.4168.6-154.9-75.1166.6000116.6
164P47.6Very low40.3Very low110 Ų110127.9 Ų127.971%0.71478%0.779SS**  trans-99.7-170-172.843.6-38.4000113.2
165P40.4Very low40.5Very low117 Ų117131.4 Ų131.476%0.7679%0.789SS**  -156.7171.185.141.5-21.7000118.6
166A35.4Very low40.3Very low96 Ų96128.7 Ų128.779%0.79378%0.78SS**  trans67.3155.9162.600000117.6
167Q43.8Very low40.8Very low183 Ų183128.8 Ų128.886%0.85578%0.779SS**  cis-138.5142.514.7-64.6171.9-25.400113
168S37.3Very low40.8Very low120 Ų120126.4 Ų126.484%0.83978%0.776SS**  trans49.1160132.3-74.40000124.4
169P43.3Very low41.1Very low113 Ų113129.2 Ų129.273%0.73478%0.782SS**  trans-131.3-167.7-141.337.3-16.3000116.7
170E37.2Very low41.3Very low186 Ų186132 Ų13287%0.86978%0.783SS**  trans124.7129.4146.2-58.7-156.612200118.4
171D38.7Very low41.6Very low122 Ų122136 Ų13665%0.65279%0.789SS**  trans84.6140.9148.2-137.3-168.1000124.2
172R43.1Very low41.9Very low188 Ų188133.5 Ų133.571%0.70978%0.777SS**  trans74.989.2164.1-55.7-63.7132.6140.412.8123.3
173L43.8Very low42.2Very low146 Ų146132.1 Ų132.176%0.76477%0.771SS**  68.3117119.8-64.9172.8000123.3
174S35.1Very low42.2Very low97 Ų97130.7 Ų130.768%0.67876%0.76SS**  82.5105128-59.60000122.9
175T43.7Very low42.2Very low134 Ų134134 Ų13482%0.82277%0.766SS**  79.6105127.2-48.40000120
176T42.3Very low42.6Very low127 Ų127135.4 Ų135.478%0.77977%0.767SS**  trans-85-172.1162.561.80000110.5
177P47.6Very low42.9Very low106 Ų106134 Ų13469%0.68876%0.761SS**  cis-140.7163.4-0.836.5-15.3000118.9
178S44.1Very low43.4Very low117 Ų117131.5 Ų131.582%0.81876%0.758SS**  trans71.7152.9139.7-66.30000124.4
179P45Very low44Very low127 Ų127133.8 Ų133.883%0.82576%0.761SS**  trans-108.1-175-178.743.7-36.4000114.2
180T41.5Very low44Very low139 Ų139134.1 Ų134.185%0.85376%0.756SS**  trans-153.4145.2165.2-173.50000114.1
181N42.8Very low44.8Very low151 Ų151134.9 Ų134.981%0.80776%0.757SS**  trans-161.9110.8165.6-161.733.6000105.2
182S41.9Very low45.7Very low87 Ų87140.4 Ų140.461%0.60877%0.769SS**  62.2137.792.9-143.50000113.3
183L49.1Very low45.8Very low149 Ų149141.9 Ų141.978%0.7878%0.775SS**  cis-155.3151.46.6-129.3163.4000104
184H41.8Very low45.8Very low130 Ų130143.3 Ų143.360%0.60278%0.777SS**  163.5144.266.1169.162000107.5D186H184-D186 IonicContact CE1-OD2 3.46Å; H184-D186 PolarHBondContact CE1-OD2 3.42Å; H184-D186 VanDerWaalsContact CE1-OD2 3.3Å; H184-D186 IonicContact NE2-OD2 3.84Å
185E47.9Very low46.6Very low180 Ų180146.5 Ų146.584%0.84179%0.786SS**  170159.4119.661.9-161.437.500113
186D49.3Very low46.5Very low146 Ų146146.2 Ų146.278%0.78179%0.786SS**  trans-69.6164.1-162.4-74-120000115.9H184H184-D186 IonicContact CE1-OD2 3.46Å; H184-D186 PolarHBondContact CE1-OD2 3.42Å; H184-D186 VanDerWaalsContact CE1-OD2 3.3Å; H184-D186 IonicContact NE2-OD2 3.84Å
187G41Very low46.3Very low65 Ų65144.8 Ų144.867%0.6779%0.787SS**  cis151.263.70.800000113.9
188V53.8Low46.3Very low132 Ų132149.3 Ų149.380%0.880%0.799SS**  trans-146.5163.9168.9-73.40000111.4
189D51.5Low46.1Very low167 Ų167153 Ų15389%0.89380%0.801SS**  trans72.227.5168-78.5-66.4000119.6
190D43.6Very low46.1Very low120 Ų120153.7 Ų153.764%0.64280%0.803SS**  trans-116.491.5158.5-152-38.7000113.7
191F52.8Low46Very low203 Ų203153 Ų15389%0.8980%0.798SS**SBendtrans-146.628.4166.5-136.6-88.7000112.3
192R57.6Low46.1Very low237 Ų237152 Ų15289%0.89480%0.797SS**SBendtrans-141.217.2-169.8-143.2-177.4-167.3150.810.6116.4
193R44.9Very low46Very low220 Ų220154.2 Ų154.283%0.8381%0.806SS**  trans-148.231.3-179.8-138.7178-62.5-92.61116.9L195R193-L195 PolarHBondContact O-N 2.96Å
194Q45.1Very low45.8Very low175 Ų175154.7 Ų154.782%0.81881%0.805SS**  trans-92.387.8171.9-69.7177.7-700111.8
195L51.8Low45.5Very low165 Ų165154.8 Ų154.886%0.86482%0.815SS**  trans-151.4126.5152.3-144.672.3000108.8R193R193-L195 PolarHBondContact O-N 2.96Å
196P40.8Very low45.1Very low127 Ų127149.9 Ų149.983%0.82581%0.812SS**  trans-80.9160.2-163.330.8-36.2000114.7
197A37.4Very low44.5Very low97 Ų97153 Ų15380%0.80282%0.819SS**  trans-81.2151.1-172.800000114.6
198Q47.7Very low44.5Very low202 Ų202159.2 Ų159.294%0.94483%0.827SS**  trans-132.3169.4148.7-69.8-156.919.700110.6
199K40.9Very low44.1Very low194 Ų194161.8 Ų161.884%0.84383%0.831SS**  trans-132.6128.7-147167-169.9174.4-177.50112.8
200T44.3Very low44Very low142 Ų142163.8 Ų163.887%0.87183%0.831SS**  trans-153.8145.6153.811.60000111.1
201V39.1Very low44.2Very low124 Ų124161.9 Ų161.975%0.75283%0.833SS**  trans-113.7125.4175171.30000108.3
202V46Very low44.2Very low131 Ų131158 Ų15879%0.79483%0.828SS**  trans-136.3125.3159.7-179.80000107.4
203V40Very low44Very low132 Ų132156.5 Ų156.580%0.883%0.828SS**  trans-98.7122.3169.3172.30000107.3
204E43.9Very low44.2Very low160 Ų160155.5 Ų155.575%0.74883%0.829SS**  trans-159.1167.2162.4-111.2-80.242.900110.3
205T37.1Very low44.5Very low132 Ų132158.5 Ų158.581%0.8183%0.833SS**  trans-100.7133.4-156.755.40000113.7
206G39.1Very low44.6Very low76 Ų76160.1 Ų160.178%0.78483%0.833SS**  trans-149.359.6-167.200000115.3K208G206-K208 PolarHBondContact O-N 3.18Å
207K36.9Very low44.8Very low212 Ų212162.4 Ų162.492%0.92283%0.83SS**  trans-7384.3-174.3-172.7-179.7179.6-179.50112.9
208K40.7Very low46Very low196 Ų196163.1 Ų163.185%0.85282%0.815SS**  trans-125.2108.3173.7-157.6166.9-171.8172.60112.6G206 K210G206-K208 PolarHBondContact O-N 3.18Å; K208-K210 PolarHBondContact O-N 3.32Å
209Q45.3Very low46.3Very low185 Ų185158.3 Ų158.386%0.86480%0.796SS**  trans-67.2119.3-178.3-68.5160.8-53.200110.8A211Q209-A211 PolarHBondContact O-N 2.9Å
210K49.1Very low47.6Very low209 Ų209155.1 Ų155.191%0.90980%0.795SS**  trans-74.9107.8167.1-75.6-178.3177.1175.40108.3K208K208-K210 PolarHBondContact O-N 3.32Å
211A47.5Very low48.7Very low81 Ų81153.3 Ų153.367%0.66978%0.78SS**  trans-53.2144.3176.700000111.2Q209 K213Q209-A211 PolarHBondContact O-N 2.9Å; A211-K213 PolarHBondContact O-N 3.01Å
212P52.5Low50.5Low122 Ų122150 Ų15079%0.79276%0.757SS**  trans-66.3103-178.827.5-33.8000109.3K214P212-K214 PolarHBondContact O-N 2.87Å
213K52.9Low52.3Low204 Ų204144.7 Ų144.789%0.88773%0.725SS**  trans-56.2107.9168-74.4-167.6174.8-169.80107A211 R215A211-K213 PolarHBondContact O-N 3.01Å; K213-R215 PolarHBondContact O-N 2.92Å
214K50.8Low54.5Low200 Ų200144.6 Ų144.687%0.8772%0.715SS**  trans-46.6116.5176-70.9-178179179.70106.9P212 K216P212-K214 PolarHBondContact O-N 2.87Å; K214-K216 PolarHBondContact O-N 3.37Å
215R50.5Low56.7Low237 Ų237143.8 Ų143.889%0.89471%0.709SS**  trans-60.7107.4171.7-81.6-177.8154.3-165.7-8.3105.9K213 K217K213-R215 PolarHBondContact O-N 2.92Å; R215-K217 PolarHBondContact O-N 2.85Å
216K54.2Low59.4Low199 Ų199139.7 Ų139.787%0.86569%0.685SS**  trans-45.1132.3156-72.1-171.1172.7-168.90105.4K214 K218K214-K216 PolarHBondContact O-N 3.37Å; K216-K218 PolarHBondContact O-N 3.15Å
217K45.6Very low62Low176 Ų176138.3 Ų138.377%0.76566%0.662SS**PPolyproline II helixtrans-52124.7174.4-117.4108.4171.2-162.30105.2R215 D219R215-K217 PolarHBondContact O-N 2.85Å; K217-D219 PolarHBondContact O-N 3.29Å; K217-D219 VanDerWaalsContact O-N 3.14Å
218K61.8Low64.8Low111 Ų111131.7 Ų131.748%0.48364%0.642SS.*PPolyproline II helixtrans-58.6120.7165.2-176.856.7167.6164.40104K216 P220 E222K216-K218 PolarHBondContact O-N 3.15Å; K218-P220 VanDerWaalsContact O-N 3.15Å; K218-E222 VanDerWaalsContact CE-CD 3.42Å; K218-E222 WeakPolarHBondContact CE-OE1 3.44Å; K218-E222 VanDerWaalsContact CE-OE2 3.26Å; K218-E222 WeakPolarHBondContact CE-OE2 3.23Å; K218-E222 IonicContact NZ-OE1 2.57Å; K218-E222 PolarHBondContact NZ-OE1 3.18Å; K218-E222 IonicContact NZ-OE2 2.61Å; K218-E222 PolarHBondContact NZ-OE2 3.4Å
219D54.9Low67.4Low101 Ų101123 Ų12354%0.5461%0.607SS.*PPolyproline II helixtrans-49.7121.8-161.9-60.7-86000109K217 N221 E222K217-D219 PolarHBondContact O-N 3.29Å; K217-D219 VanDerWaalsContact O-N 3.14Å; D219-N221 PolarHBondContact O-N 2.84Å; D219-E222 HydrophobicContact CB-CB 4.45Å; D219-E222 PolarHBondContact O-N 2.93Å
220P68.2Low69.9Low128 Ų128118 Ų11883%0.83158%0.581SS**THydrogen-bonded Turntrans-59.7-16.7-161.3-29.436.4000115.4K218K218-P220 VanDerWaalsContact O-N 3.15Å
221N67.3Low72.1Confident104 Ų104109.7 Ų109.756%0.55655%0.55SS**THydrogen-bonded Turntrans-94.1-17.3177.1-159.834.6000113.7D219 Y290D219-N221 PolarHBondContact O-N 2.84Å; N221-Y290 HydrophobicContact CB-CD2 4.46Å; N221-Y290 HydrophobicContact CB-CE2 4.12Å; N221-Y290 WeakPolarHBondContact O-CD2 3.16Å
222E76.7Confident74.3Confident55 Ų55107.6 Ų107.626%0.25753%0.528SS..SBendtrans-76122.4175.5-169.3-162.2139.800109.8K218 D219 Q224 Y290K218-E222 VanDerWaalsContact CE-CD 3.42Å; K218-E222 WeakPolarHBondContact CE-OE1 3.44Å; K218-E222 VanDerWaalsContact CE-OE2 3.26Å; K218-E222 WeakPolarHBondContact CE-OE2 3.23Å; K218-E222 IonicContact NZ-OE1 2.57Å; K218-E222 PolarHBondContact NZ-OE1 3.18Å; K218-E222 IonicContact NZ-OE2 2.61Å; K218-E222 PolarHBondContact NZ-OE2 3.4Å; D219-E222 HydrophobicContact CB-CB 4.45Å; D219-E222 PolarHBondContact O-N 2.93Å; E222-Q224 PolarHBondContact O-N 3.46Å; E222-Y290 HydrophobicContact CB-CE2 4.46Å
223P83.4Confident76.4Confident18 Ų18102.2 Ų102.212%0.11749%0.492CS..PPolyproline II helixtrans-61131.3-177.524.5-34.5000111.9K225 Y283 A286 L287P223-K225 PolarHBondContact O-N 3.38Å; P223-Y283 HydrophobicContact CB-CD2 3.95Å; P223-Y283 HydrophobicContact CB-CE2 4.28Å; P223-Y283 HydrophobicContact CG-CD2 4.38Å; P223-Y283 HydrophobicContact CG-CE2 4.3Å; P223-Y283 VanDerWaalsContact O-CE2 3.3Å; P223-Y283 WeakPolarHBondContact O-CE2 3.49Å; P223-A286 HydrophobicContact CB-CB 3.71Å; P223-A286 HydrophobicContact CG-CB 4.2Å; P223-L287 HydrophobicContact CG-CB 4.1Å; P223-L287 HydrophobicContact CG-CD1 4.19Å
224Q85.8Confident78.4Confident130 Ų13094 Ų9461%0.60746%0.456SS*.PPolyproline II helixtrans-77.3127-180-169.6165.7132.200110.8E222 Y283E222-Q224 PolarHBondContact O-N 3.46Å; Q224-Y283 WeakPolarHBondContact O-CD2 3.25Å
225K91.3Very high80.5Confident143 Ų14390.7 Ų90.762%0.62244%0.438SS*.PPolyproline II helixtrans-53.7132.6174.9-70.2178.2-179.2-177.70110.6P223 Y283P223-K225 PolarHBondContact O-N 3.38Å; K225-Y283 HydrophobicContact CB-CE2 4.23Å; K225-Y283 VanDerWaalsContact CE-OH 3.26Å; K225-Y283 WeakPolarHBondContact CE-OH 3.32Å; K225-Y283 HydrophobicContact CG-CD2 4.32Å; K225-Y283 HydrophobicContact CG-CE1 4.44Å; K225-Y283 HydrophobicContact CG-CE2 3.51Å
226P92.9Very high82.6Confident47 Ų4783 Ų8331%0.30542%0.415SS..PPolyproline II helixtrans-63.8151-178.331.2-40.3000110.9A279 K280P226-A279 HydrophobicContact CB-CB 4Å; P226-K280 HydrophobicContact CG-CB 3.96Å; P226-K280 HydrophobicContact CG-CG 4.36Å
227V93.6Very high84.5Confident47 Ų4774.1 Ų74.129%0.28538%0.377SS..PPolyproline II helixtrans-90.2151171.3-66.20000110.5A231 L232 T276V227-A231 HydrophobicContact CB-CB 3.93Å; V227-L232 HydrophobicContact CG2-CB 3.94Å; V227-L232 HydrophobicContact CG2-CD1 4.21Å; V227-T276 VanDerWaalsContact O-CG2 3.31Å; V227-T276 WeakPolarHBondContact O-CG2 3.33Å; V227-T276 PolarHBondContact O-OG1 3.02Å
228S95.6Very high86.8Confident73 Ų7368.2 Ų68.251%0.5135%0.353SS..PPolyproline II helixtrans-64.1162176.463.30000111.9Y230 A231 L232 T276S228-Y230 VanDerWaalsContact C-N 3.31Å; S228-Y230 PolarHBondContact O-N 2.84Å; S228-A231 CarbonylContact O-C 3.5Å; S228-A231 WeakPolarHBondContact O-CA 2.9Å; S228-A231 PolarHBondContact O-N 3.26Å; S228-A231 WeakPolarHBondContact OG-CB 3.43Å; S228-L232 PolarHBondContact O-N 2.93Å; S228-T276 VanDerWaalsContact C-OG1 3.24Å
229A95.8Very high88.3Confident14 Ų1466.2 Ų66.212%0.11636%0.357CS..Hα-helixtrans-53.6-45.6-175.900000112.9L232 F233 W261 K273 T276A229-L232 PolarHBondContact O-N 2.67Å; A229-F233 PolarHBondContact O-N 2.88Å; A229-W261 HydrophobicContact CB-CH2 4.04Å; A229-K273 HydrophobicContact CB-CG 4.15Å; A229-T276 WeakPolarHBondContact CA-OG1 3.34Å; A229-T276 PolarHBondContact N-OG1 2.89Å; A229-T276 VanDerWaalsContact N-OG1 3.12Å
230Y96.6Very high90.2Very high80 Ų8064.1 Ų64.131%0.31435%0.354SS..Hα-helixtrans-64.6-40.4173.8176.2-118.8000112.6S228 L232 F233 F234 V257 W261S228-Y230 VanDerWaalsContact C-N 3.31Å; S228-Y230 PolarHBondContact O-N 2.84Å; Y230-L232 VanDerWaalsContact C-N 3.32Å; Y230-L232 PolarHBondContact O-N 3.43Å; Y230-F233 HydrophobicContact CD2-CD1 4.49Å; Y230-F233 PolarHBondContact O-N 3.46Å; Y230-F234 HydrophobicContact CE1-CD2 4.41Å; Y230-F234 WeakPolarHBondContact O-CB 3.5Å; Y230-F234 PolarHBondContact O-N 2.91Å; Y230-V257 HydrophobicContact CE2-CG1 4.27Å; Y230-W261 HydrophobicContact CD2-CB 3.84Å; Y230-W261 AromaticContact CD2-CD1 3.76Å; Y230-W261 AromaticContact CD2-CD2 3.66Å; Y230-W261 HydrophobicContact CD2-CD2 3.66Å; Y230-W261 HydrophobicContact CD2-CE3 4.24Å; Y230-W261 AromaticContact CD2-CG 3.45Å; Y230-W261 HydrophobicContact CD2-CG 3.45Å; Y230-W261 VanDerWaalsContact CD2-CG 3.45Å; Y230-W261 HydrophobicContact CE2-CB 3.73Å; Y230-W261 HydrophobicContact CE2-CD2 4.47Å; Y230-W261 AromaticContact CE2-CG 3.83Å; Y230-W261 HydrophobicContact CE2-CG 3.83Å
231A95.5Very high91.4Very high33 Ų3358.4 Ų58.427%0.27332%0.316SS..Hα-helixtrans-73.2-22.2179.100000113.5V227 S228 R235V227-A231 HydrophobicContact CB-CB 3.93Å; S228-A231 CarbonylContact O-C 3.5Å; S228-A231 WeakPolarHBondContact O-CA 2.9Å; S228-A231 PolarHBondContact O-N 3.26Å; S228-A231 WeakPolarHBondContact OG-CB 3.43Å; A231-R235 PolarHBondContact O-N 2.89Å
232L94.3Very high92.6Very high38 Ų3859.1 Ų59.120%0.19931%0.314CS..Hα-helixtrans-71.4-56.2168-175.457.4000110V227 S228 A229 Y230 F234 R235 D236 Y272 K275V227-L232 HydrophobicContact CG2-CB 3.94Å; V227-L232 HydrophobicContact CG2-CD1 4.21Å; S228-L232 PolarHBondContact O-N 2.93Å; A229-L232 PolarHBondContact O-N 2.67Å; Y230-L232 VanDerWaalsContact C-N 3.32Å; Y230-L232 PolarHBondContact O-N 3.43Å; L232-F234 PolarHBondContact O-N 3.03Å; L232-R235 PolarHBondContact O-N 3.13Å; L232-D236 PolarHBondContact O-N 3.3Å; L232-Y272 HydrophobicContact CB-CD1 4.43Å; L232-Y272 HydrophobicContact CD2-CD1 4.14Å; L232-Y272 HydrophobicContact CG-CD1 4.12Å; L232-K275 HydrophobicContact CD2-CB 3.58Å; L232-K275 HydrophobicContact CD2-CD 4.04Å; L232-K275 HydrophobicContact CD2-CG 4.46Å
233F96.4Very high93.4Very high8 Ų859.5 Ų59.54%0.03533%0.333CS..Hα-helixtrans-53.9-38.5174.2174.5-101.1000112.6A229 Y230 R235 D236 T237 V257 M260 W261 L264 Y272A229-F233 PolarHBondContact O-N 2.88Å; Y230-F233 HydrophobicContact CD2-CD1 4.49Å; Y230-F233 PolarHBondContact O-N 3.46Å; F233-R235 VanDerWaalsContact C-N 3.32Å; F233-R235 PolarHBondContact O-N 2.88Å; F233-D236 PolarHBondContact O-N 3.15Å; F233-T237 WeakPolarHBondContact CD2-OG1 3.48Å; F233-T237 HydrophobicContact CE1-CG2 4.36Å; F233-T237 HydrophobicContact CE2-CG2 4.48Å; F233-T237 WeakPolarHBondContact CE2-OG1 3.29Å; F233-T237 HydrophobicContact CZ-CG2 3.99Å; F233-T237 WeakPolarHBondContact CZ-OG1 3.45Å; F233-T237 WeakPolarHBondContact O-CB 3.21Å; F233-T237 PolarHBondContact O-N 2.91Å; F233-T237 PolarHBondContact O-OG1 3.2Å; F233-V257 HydrophobicContact CD1-CG1 4.17Å; F233-V257 HydrophobicContact CE1-CG1 4.04Å; F233-M260 HydrophobicContact CE1-CB 4.28Å; F233-M260 HydrophobicContact CZ-CB 3.94Å; F233-W261 HydrophobicContact CB-CE3 3.73Å; F233-W261 HydrophobicContact CB-CZ3 3.77Å; F233-W261 HydrophobicContact CD1-CB 3.87Å; F233-W261 HydrophobicContact CD1-CD2 4.24Å; F233-W261 AromaticContact CD1-CE3 3.55Å; F233-W261 HydrophobicContact CD1-CE3 3.55Å; F233-W261 HydrophobicContact CD1-CG 4.41Å; F233-W261 HydrophobicContact CD1-CZ3 4.44Å; F233-W261 HydrophobicContact CD2-CE3 4.27Å; F233-W261 HydrophobicContact CE1-CB 3.65Å; F233-W261 HydrophobicContact CE1-CE3 4.21Å; F233-W261 AromaticContact CG-CE3 3.57Å; F233-W261 HydrophobicContact CG-CE3 3.57Å; F233-W261 HydrophobicContact CG-CZ3 4.04Å; F233-L264 HydrophobicContact CD2-CD1 3.91Å; F233-L264 HydrophobicContact CE2-CD1 3.71Å; F233-L264 HydrophobicContact CE2-CD2 4.23Å; F233-L264 HydrophobicContact CE2-CG 4.3Å; F233-L264 HydrophobicContact CG-CD1 4.47Å; F233-L264 HydrophobicContact CZ-CD1 4.11Å; F233-L264 HydrophobicContact CZ-CD2 4.42Å; F233-L264 HydrophobicContact CZ-CG 4.35Å; F233-Y272 HydrophobicContact CB-CD1 4.08Å; F233-Y272 HydrophobicContact CB-CD2 4.37Å; F233-Y272 HydrophobicContact CB-CE1 4.12Å; F233-Y272 HydrophobicContact CB-CE2 4.42Å; F233-Y272 HydrophobicContact CB-CG 4.23Å; F233-Y272 HydrophobicContact CD2-CD2 4.26Å; F233-Y272 HydrophobicContact CD2-CE1 4.33Å; F233-Y272 AromaticContact CD2-CE2 3.66Å; F233-Y272 HydrophobicContact CD2-CE2 3.66Å; F233-Y272 AromaticContact CD2-CZ 3.71Å; F233-Y272 HydrophobicContact CE2-CE2 4.45Å; F233-Y272 HydrophobicContact CG-CE2 4.47Å
234F96Very high93.8Very high31 Ų3166 Ų6614%0.13636%0.362CS..Hα-helixtrans-61.1-40.2177.5-172.1-76000111.6Y230 L232 Q238 F250 V257Y230-F234 HydrophobicContact CE1-CD2 4.41Å; Y230-F234 WeakPolarHBondContact O-CB 3.5Å; Y230-F234 PolarHBondContact O-N 2.91Å; L232-F234 PolarHBondContact O-N 3.03Å; F234-Q238 HydrophobicContact CD1-CB 4.28Å; F234-Q238 HydrophobicContact CE1-CB 4.24Å; F234-Q238 HydrophobicContact CE1-CG 4.38Å; F234-Q238 WeakPolarHBondContact O-CA 3.41Å; F234-Q238 WeakPolarHBondContact O-CB 3.37Å; F234-Q238 PolarHBondContact O-N 3.12Å; F234-F250 AromaticContact CE1-CE2 3.97Å; F234-F250 HydrophobicContact CE1-CE2 3.97Å; F234-F250 HydrophobicContact CE1-CZ 4.22Å; F234-F250 AromaticContact CZ-CE2 3.86Å; F234-F250 HydrophobicContact CZ-CE2 3.86Å; F234-F250 AromaticContact CZ-CZ 3.84Å; F234-F250 HydrophobicContact CZ-CZ 3.84Å; F234-V257 HydrophobicContact CB-CG1 4.04Å; F234-V257 HydrophobicContact CD2-CB 4.12Å; F234-V257 HydrophobicContact CD2-CG1 3.43Å; F234-V257 VanDerWaalsContact CD2-CG1 3.43Å; F234-V257 HydrophobicContact CE2-CB 4.28Å; F234-V257 HydrophobicContact CE2-CG1 4.08Å; F234-V257 HydrophobicContact CG-CG1 3.92Å
235R94.2Very high94Very high131 Ų13163.5 Ų63.549%0.49435%0.352SS..Hα-helixtrans-68.9-48.2178.6-76.7179.5135.1173.5-8.2111.8A231 L232 F233 T237 A239A231-R235 PolarHBondContact O-N 2.89Å; L232-R235 PolarHBondContact O-N 3.13Å; F233-R235 VanDerWaalsContact C-N 3.32Å; F233-R235 PolarHBondContact O-N 2.88Å; R235-T237 VanDerWaalsContact C-N 3.34Å; R235-T237 PolarHBondContact O-N 3Å; R235-A239 PolarHBondContact O-N 3.16Å
236D93.5Very high94Very high75 Ų7560.9 Ų60.940%0.40135%0.35SS..Hα-helixtrans-60.4-46180-61.9-5.7000110.4L232 F233 A240L232-D236 PolarHBondContact O-N 3.3Å; F233-D236 PolarHBondContact O-N 3.15Å; D236-A240 PolarHBondContact O-N 3.31Å
237T94.9Very high94Very high13 Ų1366.2 Ų66.28%0.0838%0.376CS..Hα-helixtrans-79.8-35.7-175.4-46.80000112.8F233 R235 A239 A240 I241 V257 M260F233-T237 WeakPolarHBondContact CD2-OG1 3.48Å; F233-T237 HydrophobicContact CE1-CG2 4.36Å; F233-T237 HydrophobicContact CE2-CG2 4.48Å; F233-T237 WeakPolarHBondContact CE2-OG1 3.29Å; F233-T237 HydrophobicContact CZ-CG2 3.99Å; F233-T237 WeakPolarHBondContact CZ-OG1 3.45Å; F233-T237 WeakPolarHBondContact O-CB 3.21Å; F233-T237 PolarHBondContact O-N 2.91Å; F233-T237 PolarHBondContact O-OG1 3.2Å; R235-T237 VanDerWaalsContact C-N 3.34Å; R235-T237 PolarHBondContact O-N 3Å; T237-A239 VanDerWaalsContact C-N 3.26Å; T237-A239 PolarHBondContact O-N 3.13Å; T237-A240 PolarHBondContact O-N 3.46Å; T237-I241 HydrophobicContact CG2-CD1 3.76Å; T237-I241 HydrophobicContact CG2-CG1 4.3Å; T237-I241 WeakPolarHBondContact O-CG1 3.48Å; T237-I241 PolarHBondContact O-N 3.29Å; T237-V257 HydrophobicContact CG2-CG2 4.11Å; T237-M260 HydrophobicContact CG2-CE 3.68Å; T237-M260 HydrophobicContact CG2-SD 3.67Å
238Q94.7Very high93.8Very high53 Ų5365.2 Ų65.225%0.24837%0.373CS..Hα-helixtrans-59.8-39.3172.7-178.7-169.611.700111F234 K242 V253F234-Q238 HydrophobicContact CD1-CB 4.28Å; F234-Q238 HydrophobicContact CE1-CB 4.24Å; F234-Q238 HydrophobicContact CE1-CG 4.38Å; F234-Q238 WeakPolarHBondContact O-CA 3.41Å; F234-Q238 WeakPolarHBondContact O-CB 3.37Å; F234-Q238 PolarHBondContact O-N 3.12Å; Q238-K242 WeakPolarHBondContact O-CB 3.28Å; Q238-K242 PolarHBondContact O-N 3.01Å; Q238-V253 HydrophobicContact CB-CG1 4.3Å; Q238-V253 HydrophobicContact CG-CG1 3.86Å
239A92.4Very high93.7Very high69 Ų6965.7 Ų65.757%0.5737%0.372SS*.Hα-helixtrans-62.3-47.117700000111.4R235 T237 G243R235-A239 PolarHBondContact O-N 3.16Å; T237-A239 VanDerWaalsContact C-N 3.26Å; T237-A239 PolarHBondContact O-N 3.13Å; A239-G243 PolarHBondContact O-N 3.25Å
240A94.3Very high93.6Very high57 Ų5771.1 Ų71.147%0.47139%0.394SS..Hα-helixtrans-62.1-52.9178.100000112.5D236 T237 K242 G243 Q244D236-A240 PolarHBondContact O-N 3.31Å; T237-A240 PolarHBondContact O-N 3.46Å; A240-K242 VanDerWaalsContact C-N 3.32Å; A240-K242 PolarHBondContact O-N 3.01Å; A240-G243 PolarHBondContact O-N 2.83Å; A240-G243 VanDerWaalsContact O-N 3.16Å; A240-Q244 PolarHBondContact O-N 2.83Å; A240-Q244 VanDerWaalsContact O-N 3.08Å
241I94.1Very high93.5Very high8 Ų869.3 Ų69.34%0.04140%0.399CS..Hα-helixtrans-61.7-41.2-178.6-63.4160.2000110.9T237 G243 Q244 N245 V253 I256 V257 M260T237-I241 HydrophobicContact CG2-CD1 3.76Å; T237-I241 HydrophobicContact CG2-CG1 4.3Å; T237-I241 WeakPolarHBondContact O-CG1 3.48Å; T237-I241 PolarHBondContact O-N 3.29Å; I241-G243 VanDerWaalsContact C-N 3.34Å; I241-Q244 PolarHBondContact O-N 2.98Å; I241-N245 WeakPolarHBondContact O-CB 3.48Å; I241-N245 PolarHBondContact O-N 3.49Å; I241-N245 PolarHBondContact O-ND2 3.32Å; I241-V253 HydrophobicContact CB-CG1 4.05Å; I241-V253 HydrophobicContact CD1-CG1 4.28Å; I241-V253 HydrophobicContact CG2-CB 4.4Å; I241-V253 HydrophobicContact CG2-CG1 3.96Å; I241-V253 HydrophobicContact CG2-CG2 4.01Å; I241-I256 HydrophobicContact CD1-CB 3.99Å; I241-I256 HydrophobicContact CD1-CG2 3.54Å; I241-I256 HydrophobicContact CG1-CG2 4.2Å; I241-I256 HydrophobicContact CG2-CD1 4.13Å; I241-V257 HydrophobicContact CD1-CG2 3.54Å; I241-M260 HydrophobicContact CD1-SD 4.02Å; I241-M260 HydrophobicContact CG1-SD 4.47Å
242K92.4Very high93.5Very high119 Ų11972.2 Ų72.252%0.51741%0.407SS..Hα-helixtrans-72.1-27179.5-168.8175.6-179.8-173.20112.8Q238 A240 N245 P246Q238-K242 WeakPolarHBondContact O-CB 3.28Å; Q238-K242 PolarHBondContact O-N 3.01Å; A240-K242 VanDerWaalsContact C-N 3.32Å; A240-K242 PolarHBondContact O-N 3.01Å; K242-N245 CarbonylContact O-C 3.44Å; K242-P246 WeakPolarHBondContact O-CA 3.34Å
243G92.6Very high93.6Very high63 Ų6370.5 Ų70.565%0.64940%0.398SS*.Hα-helixtrans-65.9-42.7169.400000112.3A239 A240 I241A239-G243 PolarHBondContact O-N 3.25Å; A240-G243 PolarHBondContact O-N 2.83Å; A240-G243 VanDerWaalsContact O-N 3.16Å; I241-G243 VanDerWaalsContact C-N 3.34Å
244Q93.6Very high93.6Very high154 Ų15472 Ų7272%0.7241%0.409SS*.Hα-helixtrans-73.9-35176.4-68.9177.1-29.100113.1A240 I241 P246A240-Q244 PolarHBondContact O-N 2.83Å; A240-Q244 VanDerWaalsContact O-N 3.08Å; I241-Q244 PolarHBondContact O-N 2.98Å; Q244-P246 WeakPolarHBondContact O-CD 3.36Å
245N88.7Confident93.6Very high77 Ų7778 Ų7841%0.41244%0.436SS..  trans-126.871.1-174-59.6-90.1000110.6I241 K242 N247 A248I241-N245 WeakPolarHBondContact O-CB 3.48Å; I241-N245 PolarHBondContact O-N 3.49Å; I241-N245 PolarHBondContact O-ND2 3.32Å; K242-N245 CarbonylContact O-C 3.44Å; N245-N247 PolarHBondContact O-N 3.39Å; N245-N247 VanDerWaalsContact O-N 3.15Å; N245-A248 HydrophobicContact CB-CB 3.77Å; N245-A248 WeakPolarHBondContact O-CB 3.34Å; N245-A248 PolarHBondContact O-N 3.43Å
246P91.5Very high93.6Very high89 Ų8975.1 Ų75.158%0.57843%0.429SS*.THydrogen-bonded Turntrans-62.6-23.4-177.725-34.9000113.4K242 Q244K242-P246 WeakPolarHBondContact O-CA 3.34Å; Q244-P246 WeakPolarHBondContact O-CD 3.36Å
247N92.6Very high93.8Very high159 Ų15971.6 Ų71.685%0.8541%0.41SS*.THydrogen-bonded Turntrans-83.7-13.1177.1-64.5-23.5000113.9N245N245-N247 PolarHBondContact O-N 3.39Å; N245-N247 VanDerWaalsContact O-N 3.15Å
248A89.6Confident93.8Very high26 Ų2672.4 Ų72.422%0.21542%0.418CS..  trans-70.6134.7-177.900000111.3N245 V253N245-A248 HydrophobicContact CB-CB 3.77Å; N245-A248 WeakPolarHBondContact O-CB 3.34Å; N245-A248 PolarHBondContact O-N 3.43Å; A248-V253 HydrophobicContact CB-CG2 3.88Å
249T94.2Very high93.9Very high82 Ų8273.4 Ų73.450%0.50343%0.432SS..  trans-69.6155.5176.570.10000110.8G251 E252 V253T249-G251 PolarHBondContact O-N 3.29Å; T249-G251 VanDerWaalsContact O-N 3.12Å; T249-E252 WeakPolarHBondContact CA-OE2 3.47Å; T249-E252 WeakPolarHBondContact CB-OE2 3.4Å; T249-E252 VanDerWaalsContact CG2-OE2 3.31Å; T249-E252 WeakPolarHBondContact CG2-OE2 3.43Å; T249-E252 PolarHBondContact N-OE2 3.46Å; T249-E252 PolarHBondContact O-N 3.06Å; T249-E252 PolarHBondContact OG1-N 3.34Å; T249-E252 PolarHBondContact OG1-OE2 2.62Å; T249-V253 WeakPolarHBondContact O-CG2 3.34Å; T249-V253 PolarHBondContact O-N 3.3Å
250F92.8Very high94Very high129 Ų12973.9 Ų73.957%0.56642%0.423SS*.Hα-helixtrans-55.7-31175.6178.8-101.3000112.9F234 S254F234-F250 AromaticContact CE1-CE2 3.97Å; F234-F250 HydrophobicContact CE1-CE2 3.97Å; F234-F250 HydrophobicContact CE1-CZ 4.22Å; F234-F250 AromaticContact CZ-CE2 3.86Å; F234-F250 HydrophobicContact CZ-CE2 3.86Å; F234-F250 AromaticContact CZ-CZ 3.84Å; F234-F250 HydrophobicContact CZ-CZ 3.84Å; F250-S254 WeakPolarHBondContact O-CB 3.47Å; F250-S254 PolarHBondContact O-N 3.2Å
251G95.6Very high94.1Very high41 Ų4173 Ų7342%0.42341%0.407SS..Hα-helixtrans-69.9-34.9176.600000113.6T249 K255T249-G251 PolarHBondContact O-N 3.29Å; T249-G251 VanDerWaalsContact O-N 3.12Å; G251-K255 WeakPolarHBondContact O-CG 3.45Å; G251-K255 PolarHBondContact O-N 3.43Å
252E95.6Very high94.2Very high94 Ų9477.9 Ų77.944%0.43943%0.434SS..Hα-helixtrans-73.1-48.1174.5-69.6154.1133.100110.6T249 S254 K255 I256T249-E252 WeakPolarHBondContact CA-OE2 3.47Å; T249-E252 WeakPolarHBondContact CB-OE2 3.4Å; T249-E252 VanDerWaalsContact CG2-OE2 3.31Å; T249-E252 WeakPolarHBondContact CG2-OE2 3.43Å; T249-E252 PolarHBondContact N-OE2 3.46Å; T249-E252 PolarHBondContact O-N 3.06Å; T249-E252 PolarHBondContact OG1-N 3.34Å; T249-E252 PolarHBondContact OG1-OE2 2.62Å; E252-S254 VanDerWaalsContact C-N 3.28Å; E252-S254 PolarHBondContact O-N 2.92Å; E252-K255 WeakPolarHBondContact O-CB 3.48Å; E252-K255 PolarHBondContact O-N 3.3Å; E252-I256 WeakPolarHBondContact O-CG1 3.47Å; E252-I256 PolarHBondContact O-N 2.86Å
253V95.9Very high94.4Very high3 Ų377 Ų772%0.01844%0.442CS..Hα-helixtrans-57.4-42.7175.9-178.50000110.9Q238 I241 A248 T249 K255 I256 V257Q238-V253 HydrophobicContact CB-CG1 4.3Å; Q238-V253 HydrophobicContact CG-CG1 3.86Å; I241-V253 HydrophobicContact CB-CG1 4.05Å; I241-V253 HydrophobicContact CD1-CG1 4.28Å; I241-V253 HydrophobicContact CG2-CB 4.4Å; I241-V253 HydrophobicContact CG2-CG1 3.96Å; I241-V253 HydrophobicContact CG2-CG2 4.01Å; A248-V253 HydrophobicContact CB-CG2 3.88Å; T249-V253 WeakPolarHBondContact O-CG2 3.34Å; T249-V253 PolarHBondContact O-N 3.3Å; V253-K255 VanDerWaalsContact C-N 3.3Å; V253-K255 PolarHBondContact O-N 3.18Å; V253-I256 PolarHBondContact O-N 3Å; V253-V257 HydrophobicContact CG1-CG2 4.26Å; V253-V257 VanDerWaalsContact O-CG2 3.31Å; V253-V257 WeakPolarHBondContact O-CG2 3.19Å; V253-V257 PolarHBondContact O-N 3.36Å
254S95.4Very high94.5Very high38 Ų3875.3 Ų75.327%0.26642%0.418SS..Hα-helixtrans-64.4-29.1177.4-173.60000114F250 E252 A258F250-S254 WeakPolarHBondContact O-CB 3.47Å; F250-S254 PolarHBondContact O-N 3.2Å; E252-S254 VanDerWaalsContact C-N 3.28Å; E252-S254 PolarHBondContact O-N 2.92Å; S254-A258 PolarHBondContact O-N 3.02Å
255K96.2Very high94.6Very high158 Ų15869.9 Ų69.969%0.68740%0.403SS*.Hα-helixtrans-73.9-43.2174.2-73.7170.1-179.6-1780111.2G251 E252 V253 A258 S259G251-K255 WeakPolarHBondContact O-CG 3.45Å; G251-K255 PolarHBondContact O-N 3.43Å; E252-K255 WeakPolarHBondContact O-CB 3.48Å; E252-K255 PolarHBondContact O-N 3.3Å; V253-K255 VanDerWaalsContact C-N 3.3Å; V253-K255 PolarHBondContact O-N 3.18Å; K255-A258 PolarHBondContact O-N 3.1Å; K255-S259 PolarHBondContact O-N 3.17Å
256I95.1Very high94.9Very high71 Ų7170.5 Ų70.536%0.36440%0.404SS..Hα-helixtrans-62.7-45.8178-60.7163.1000109.8I241 E252 V253 A258 S259 M260I241-I256 HydrophobicContact CD1-CB 3.99Å; I241-I256 HydrophobicContact CD1-CG2 3.54Å; I241-I256 HydrophobicContact CG1-CG2 4.2Å; I241-I256 HydrophobicContact CG2-CD1 4.13Å; E252-I256 WeakPolarHBondContact O-CG1 3.47Å; E252-I256 PolarHBondContact O-N 2.86Å; V253-I256 PolarHBondContact O-N 3Å; I256-A258 PolarHBondContact O-N 3.46Å; I256-S259 PolarHBondContact O-N 3.01Å; I256-M260 HydrophobicContact CG2-CG 4.33Å; I256-M260 HydrophobicContact CG2-SD 3.97Å; I256-M260 WeakPolarHBondContact O-CB 3.18Å; I256-M260 VanDerWaalsContact O-CG 3.31Å; I256-M260 WeakPolarHBondContact O-CG 3.49Å; I256-M260 PolarHBondContact O-N 3.5Å
257V96.6Very high95.1Very high0 Ų073.6 Ų73.60%041%0.411CS..Hα-helixtrans-60.1-42.7176.21730000112.3Y230 F233 F234 T237 I241 V253 M260 W261Y230-V257 HydrophobicContact CE2-CG1 4.27Å; F233-V257 HydrophobicContact CD1-CG1 4.17Å; F233-V257 HydrophobicContact CE1-CG1 4.04Å; F234-V257 HydrophobicContact CB-CG1 4.04Å; F234-V257 HydrophobicContact CD2-CB 4.12Å; F234-V257 HydrophobicContact CD2-CG1 3.43Å; F234-V257 VanDerWaalsContact CD2-CG1 3.43Å; F234-V257 HydrophobicContact CE2-CB 4.28Å; F234-V257 HydrophobicContact CE2-CG1 4.08Å; F234-V257 HydrophobicContact CG-CG1 3.92Å; T237-V257 HydrophobicContact CG2-CG2 4.11Å; I241-V257 HydrophobicContact CD1-CG2 3.54Å; V253-V257 HydrophobicContact CG1-CG2 4.26Å; V253-V257 VanDerWaalsContact O-CG2 3.31Å; V253-V257 WeakPolarHBondContact O-CG2 3.19Å; V253-V257 PolarHBondContact O-N 3.36Å; V257-M260 PolarHBondContact O-N 3.15Å; V257-W261 WeakPolarHBondContact O-CB 3.44Å; V257-W261 PolarHBondContact O-N 3.16Å
258A96.2Very high95.2Very high30 Ų3070.8 Ų70.825%0.24839%0.393CS..Hα-helixtrans-60.8-52.317600000110.9S254 K255 I256 M260 W261 D262S254-A258 PolarHBondContact O-N 3.02Å; K255-A258 PolarHBondContact O-N 3.1Å; I256-A258 PolarHBondContact O-N 3.46Å; A258-M260 VanDerWaalsContact C-N 3.29Å; A258-M260 PolarHBondContact O-N 3.3Å; A258-W261 WeakPolarHBondContact O-CB 3.3Å; A258-W261 PolarHBondContact O-N 3.11Å; A258-W261 VanDerWaalsContact O-N 3.07Å; A258-D262 PolarHBondContact O-N 2.9Å
259S96.3Very high95.5Very high75 Ų7571.3 Ų71.352%0.52439%0.39SS..Hα-helixtrans-56.9-40.7177.4-169.20000112.6K255 I256 S263K255-S259 PolarHBondContact O-N 3.17Å; I256-S259 PolarHBondContact O-N 3.01Å; S259-S263 WeakPolarHBondContact O-CB 3.27Å; S259-S263 PolarHBondContact O-N 3.44Å; S259-S263 PolarHBondContact O-OG 3.48Å
260M95.2Very high95.6Very high79 Ų7970.8 Ų70.839%0.38938%0.382SS..Hα-helixtrans-67.4-40.2176.4-72.5179.468.600112.3F233 T237 I241 I256 V257 A258 S263 L264F233-M260 HydrophobicContact CE1-CB 4.28Å; F233-M260 HydrophobicContact CZ-CB 3.94Å; T237-M260 HydrophobicContact CG2-CE 3.68Å; T237-M260 HydrophobicContact CG2-SD 3.67Å; I241-M260 HydrophobicContact CD1-SD 4.02Å; I241-M260 HydrophobicContact CG1-SD 4.47Å; I256-M260 HydrophobicContact CG2-CG 4.33Å; I256-M260 HydrophobicContact CG2-SD 3.97Å; I256-M260 WeakPolarHBondContact O-CB 3.18Å; I256-M260 VanDerWaalsContact O-CG 3.31Å; I256-M260 WeakPolarHBondContact O-CG 3.49Å; I256-M260 PolarHBondContact O-N 3.5Å; V257-M260 PolarHBondContact O-N 3.15Å; A258-M260 VanDerWaalsContact C-N 3.29Å; A258-M260 PolarHBondContact O-N 3.3Å; M260-S263 PolarHBondContact O-N 3.19Å; M260-L264 WeakPolarHBondContact O-CG 3.36Å; M260-L264 PolarHBondContact O-N 3.43Å; M260-L264 VanDerWaalsContact O-N 3.11Å
261W96.7Very high95.7Very high38 Ų3867.4 Ų67.414%0.14437%0.372CS..Hα-helixtrans-61.8-46.6175.5174.9-101.7000111.1A229 Y230 F233 V257 A258 S263 L264 K269 Y272A229-W261 HydrophobicContact CB-CH2 4.04Å; Y230-W261 HydrophobicContact CD2-CB 3.84Å; Y230-W261 AromaticContact CD2-CD1 3.76Å; Y230-W261 AromaticContact CD2-CD2 3.66Å; Y230-W261 HydrophobicContact CD2-CD2 3.66Å; Y230-W261 HydrophobicContact CD2-CE3 4.24Å; Y230-W261 AromaticContact CD2-CG 3.45Å; Y230-W261 HydrophobicContact CD2-CG 3.45Å; Y230-W261 VanDerWaalsContact CD2-CG 3.45Å; Y230-W261 HydrophobicContact CE2-CB 3.73Å; Y230-W261 HydrophobicContact CE2-CD2 4.47Å; Y230-W261 AromaticContact CE2-CG 3.83Å; Y230-W261 HydrophobicContact CE2-CG 3.83Å; F233-W261 HydrophobicContact CB-CE3 3.73Å; F233-W261 HydrophobicContact CB-CZ3 3.77Å; F233-W261 HydrophobicContact CD1-CB 3.87Å; F233-W261 HydrophobicContact CD1-CD2 4.24Å; F233-W261 AromaticContact CD1-CE3 3.55Å; F233-W261 HydrophobicContact CD1-CE3 3.55Å; F233-W261 HydrophobicContact CD1-CG 4.41Å; F233-W261 HydrophobicContact CD1-CZ3 4.44Å; F233-W261 HydrophobicContact CD2-CE3 4.27Å; F233-W261 HydrophobicContact CE1-CB 3.65Å; F233-W261 HydrophobicContact CE1-CE3 4.21Å; F233-W261 AromaticContact CG-CE3 3.57Å; F233-W261 HydrophobicContact CG-CE3 3.57Å; F233-W261 HydrophobicContact CG-CZ3 4.04Å; V257-W261 WeakPolarHBondContact O-CB 3.44Å; V257-W261 PolarHBondContact O-N 3.16Å; A258-W261 WeakPolarHBondContact O-CB 3.3Å; A258-W261 PolarHBondContact O-N 3.11Å; A258-W261 VanDerWaalsContact O-N 3.07Å; W261-S263 VanDerWaalsContact C-N 3.28Å; W261-S263 PolarHBondContact O-N 2.96Å; W261-L264 HydrophobicContact CE3-CD1 3.7Å; W261-L264 HydrophobicContact CZ3-CD1 4.02Å; W261-L264 WeakPolarHBondContact O-CB 3.48Å; W261-L264 PolarHBondContact O-N 2.82Å; W261-L264 VanDerWaalsContact O-N 3.1Å; W261-K269 HydrophobicContact CH2-CB 4.15Å; W261-K269 HydrophobicContact CH2-CG 3.98Å; W261-K269 HydrophobicContact CZ2-CB 4.37Å; W261-K269 HydrophobicContact CZ2-CG 3.98Å; W261-K269 HydrophobicContact CZ3-CG 4.27Å; W261-K269 WeakPolarHBondContact O-CE 3.36Å; W261-K269 PolarHBondContact O-NZ 3.1Å; W261-Y272 HydrophobicContact CZ3-CD2 4.08Å; W261-Y272 HydrophobicContact CZ3-CG 4.23Å
262D96.4Very high95.8Very high111 Ų11167.4 Ų67.459%0.59436%0.359SS*.Hα-helixtrans-62.3-39.4179.3-65.1-36.3000110.9A258 L264 K269A258-D262 PolarHBondContact O-N 2.9Å; D262-L264 VanDerWaalsContact C-N 3.33Å; D262-L264 PolarHBondContact O-N 3.42Å; D262-K269 PolarHBondContact O-NZ 3.42Å
263S96.1Very high95.8Very high99 Ų9967 Ų6769%0.69236%0.356SS*.Hα-helixtrans-69.8-13.6173.5-59.40000116.2S259 M260 W261S259-S263 WeakPolarHBondContact O-CB 3.27Å; S259-S263 PolarHBondContact O-N 3.44Å; S259-S263 PolarHBondContact O-OG 3.48Å; M260-S263 PolarHBondContact O-N 3.19Å; W261-S263 VanDerWaalsContact C-N 3.28Å; W261-S263 PolarHBondContact O-N 2.96Å
264L95.2Very high95.9Very high28 Ų2873.9 Ų73.915%0.14738%0.381CS..SBendtrans-66.1138.4175.5-64.1-172.8000111F233 M260 W261 D262 Q268 K269 Y272F233-L264 HydrophobicContact CD2-CD1 3.91Å; F233-L264 HydrophobicContact CE2-CD1 3.71Å; F233-L264 HydrophobicContact CE2-CD2 4.23Å; F233-L264 HydrophobicContact CE2-CG 4.3Å; F233-L264 HydrophobicContact CG-CD1 4.47Å; F233-L264 HydrophobicContact CZ-CD1 4.11Å; F233-L264 HydrophobicContact CZ-CD2 4.42Å; F233-L264 HydrophobicContact CZ-CG 4.35Å; M260-L264 WeakPolarHBondContact O-CG 3.36Å; M260-L264 PolarHBondContact O-N 3.43Å; M260-L264 VanDerWaalsContact O-N 3.11Å; W261-L264 HydrophobicContact CE3-CD1 3.7Å; W261-L264 HydrophobicContact CZ3-CD1 4.02Å; W261-L264 WeakPolarHBondContact O-CB 3.48Å; W261-L264 PolarHBondContact O-N 2.82Å; W261-L264 VanDerWaalsContact O-N 3.1Å; D262-L264 VanDerWaalsContact C-N 3.33Å; D262-L264 PolarHBondContact O-N 3.42Å; L264-Q268 HydrophobicContact CB-CB 4.16Å; L264-Q268 HydrophobicContact CD1-CB 4.31Å; L264-K269 HydrophobicContact CB-CD 4.49Å; L264-K269 HydrophobicContact CB-CG 4Å; L264-K269 VanDerWaalsContact O-CE 3.25Å; L264-K269 WeakPolarHBondContact O-CE 3.37Å; L264-K269 PolarHBondContact O-NZ 2.83Å; L264-Y272 HydrophobicContact CD1-CD2 4.33Å; L264-Y272 HydrophobicContact CD1-CE2 4.26Å
265G95.7Very high95.9Very high40 Ų4076.5 Ų76.541%0.41239%0.388SS..  trans-62.6153.7168.400000111.7E267 Q268 K269G265-E267 PolarHBondContact O-N 3.05Å; G265-Q268 PolarHBondContact O-N 3.37Å; G265-K269 PolarHBondContact O-N 2.88Å
266E94.9Very high95.8Very high91 Ų9170.2 Ų70.243%0.42536%0.363SS..Hα-helixtrans-60.9-29.6-178.5177.155-162.900112.1Q268 K269 Q270 K273E266-Q268 PolarHBondContact O-N 3.03Å; E266-K269 CarbonylContact O-C 3.59Å; E266-K269 PolarHBondContact O-N 3.28Å; E266-K269 WeakPolarHBondContact OE2-CB 3.49Å; E266-Q270 HydrophobicContact CG-CG 4.2Å; E266-Q270 WeakPolarHBondContact O-CB 3.44Å; E266-Q270 WeakPolarHBondContact O-CG 3.45Å; E266-Q270 PolarHBondContact O-N 3.08Å; E266-Q270 VanDerWaalsContact OE1-CG 3.29Å; E266-Q270 WeakPolarHBondContact OE1-CG 3.15Å; E266-Q270 PolarHBondContact OE1-NE2 3.3Å; E266-K273 IonicContact OE1-NZ 2.67Å; E266-K273 PolarHBondContact OE1-NZ 3.3Å; E266-K273 IonicContact OE2-NZ 3.3Å; E266-K273 PolarHBondContact OE2-NZ 3.44Å
267E95.3Very high95.9Very high154 Ų15473 Ų7372%0.7238%0.375SS*.Hα-helixtrans-59.5-44.3171.5-174.8179.478.700112.6G265 Q270 V271G265-E267 PolarHBondContact O-N 3.05Å; E267-Q270 WeakPolarHBondContact O-CB 3.43Å; E267-Q270 PolarHBondContact O-N 3.14Å; E267-V271 PolarHBondContact O-N 2.83Å
268Q95Very high95.9Very high100 Ų10075.9 Ų75.947%0.46740%0.398SS..Hα-helixtrans-68.2-40.8177.5-68174-32.500110.9L264 G265 E266 Q270 V271 Y272L264-Q268 HydrophobicContact CB-CB 4.16Å; L264-Q268 HydrophobicContact CD1-CB 4.31Å; G265-Q268 PolarHBondContact O-N 3.37Å; E266-Q268 PolarHBondContact O-N 3.03Å; Q268-Q270 VanDerWaalsContact C-N 3.28Å; Q268-Q270 PolarHBondContact O-N 3.17Å; Q268-V271 WeakPolarHBondContact O-CB 3.24Å; Q268-V271 PolarHBondContact O-N 3.16Å; Q268-Y272 VanDerWaalsContact O-CD2 3.27Å; Q268-Y272 WeakPolarHBondContact O-CD2 3.42Å; Q268-Y272 PolarHBondContact O-N 3.32Å
269K95.2Very high95.9Very high36 Ų3676.2 Ų76.216%0.15740%0.401CS..Hα-helixtrans-58.9-40.3171.2-70.2166.1169.9144.90111W261 D262 L264 G265 E266 Y272 K273W261-K269 HydrophobicContact CH2-CB 4.15Å; W261-K269 HydrophobicContact CH2-CG 3.98Å; W261-K269 HydrophobicContact CZ2-CB 4.37Å; W261-K269 HydrophobicContact CZ2-CG 3.98Å; W261-K269 HydrophobicContact CZ3-CG 4.27Å; W261-K269 WeakPolarHBondContact O-CE 3.36Å; W261-K269 PolarHBondContact O-NZ 3.1Å; D262-K269 PolarHBondContact O-NZ 3.42Å; L264-K269 HydrophobicContact CB-CD 4.49Å; L264-K269 HydrophobicContact CB-CG 4Å; L264-K269 VanDerWaalsContact O-CE 3.25Å; L264-K269 WeakPolarHBondContact O-CE 3.37Å; L264-K269 PolarHBondContact O-NZ 2.83Å; G265-K269 PolarHBondContact O-N 2.88Å; E266-K269 CarbonylContact O-C 3.59Å; E266-K269 PolarHBondContact O-N 3.28Å; E266-K269 WeakPolarHBondContact OE2-CB 3.49Å; K269-Y272 PolarHBondContact O-N 3.23Å; K269-K273 WeakPolarHBondContact O-CG 3.39Å; K269-K273 PolarHBondContact O-N 2.85Å
270Q96Very high95.7Very high71 Ų7178.6 Ų78.633%0.33240%0.402SS..Hα-helixtrans-65.3-36.3174.6-73.4-73.2-3.600113.1E266 E267 Q268 Y272 K273 R274E266-Q270 HydrophobicContact CG-CG 4.2Å; E266-Q270 WeakPolarHBondContact O-CB 3.44Å; E266-Q270 WeakPolarHBondContact O-CG 3.45Å; E266-Q270 PolarHBondContact O-N 3.08Å; E266-Q270 VanDerWaalsContact OE1-CG 3.29Å; E266-Q270 WeakPolarHBondContact OE1-CG 3.15Å; E266-Q270 PolarHBondContact OE1-NE2 3.3Å; E267-Q270 WeakPolarHBondContact O-CB 3.43Å; E267-Q270 PolarHBondContact O-N 3.14Å; Q268-Q270 VanDerWaalsContact C-N 3.28Å; Q268-Q270 PolarHBondContact O-N 3.17Å; Q270-Y272 VanDerWaalsContact C-N 3.31Å; Q270-Y272 PolarHBondContact O-N 3.4Å; Q270-K273 HydrophobicContact CG-CD 4.44Å; Q270-K273 PolarHBondContact O-N 3.08Å; Q270-R274 WeakPolarHBondContact O-CB 3.45Å; Q270-R274 WeakPolarHBondContact O-CG 3.49Å; Q270-R274 PolarHBondContact O-N 3.47Å
271V96.2Very high95.8Very high59 Ų5982.7 Ų82.736%0.35842%0.417SS..Hα-helixtrans-60.2-42.3171.2171.30000110.8E267 Q268 K275E267-V271 PolarHBondContact O-N 2.83Å; Q268-V271 WeakPolarHBondContact O-CB 3.24Å; Q268-V271 PolarHBondContact O-N 3.16Å; V271-K275 HydrophobicContact CG1-CD 4.44Å; V271-K275 WeakPolarHBondContact O-CB 3.2Å; V271-K275 WeakPolarHBondContact O-CG 3.27Å; V271-K275 PolarHBondContact O-N 2.86Å
272Y96.8Very high95.6Very high41 Ų4187.5 Ų87.516%0.16144%0.442CS..Hα-helixtrans-70.3-35.9174.4-72.2-76.8000113.3L232 F233 W261 L264 Q268 K269 Q270 K275 T276L232-Y272 HydrophobicContact CB-CD1 4.43Å; L232-Y272 HydrophobicContact CD2-CD1 4.14Å; L232-Y272 HydrophobicContact CG-CD1 4.12Å; F233-Y272 HydrophobicContact CB-CD1 4.08Å; F233-Y272 HydrophobicContact CB-CD2 4.37Å; F233-Y272 HydrophobicContact CB-CE1 4.12Å; F233-Y272 HydrophobicContact CB-CE2 4.42Å; F233-Y272 HydrophobicContact CB-CG 4.23Å; F233-Y272 HydrophobicContact CD2-CD2 4.26Å; F233-Y272 HydrophobicContact CD2-CE1 4.33Å; F233-Y272 AromaticContact CD2-CE2 3.66Å; F233-Y272 HydrophobicContact CD2-CE2 3.66Å; F233-Y272 AromaticContact CD2-CZ 3.71Å; F233-Y272 HydrophobicContact CE2-CE2 4.45Å; F233-Y272 HydrophobicContact CG-CE2 4.47Å; W261-Y272 HydrophobicContact CZ3-CD2 4.08Å; W261-Y272 HydrophobicContact CZ3-CG 4.23Å; L264-Y272 HydrophobicContact CD1-CD2 4.33Å; L264-Y272 HydrophobicContact CD1-CE2 4.26Å; Q268-Y272 VanDerWaalsContact O-CD2 3.27Å; Q268-Y272 WeakPolarHBondContact O-CD2 3.42Å; Q268-Y272 PolarHBondContact O-N 3.32Å; K269-Y272 PolarHBondContact O-N 3.23Å; Q270-Y272 VanDerWaalsContact C-N 3.31Å; Q270-Y272 PolarHBondContact O-N 3.4Å; Y272-K275 HydrophobicContact CD1-CD 4.14Å; Y272-K275 HydrophobicContact CE1-CD 4.34Å; Y272-K275 PolarHBondContact O-N 3.34Å; Y272-T276 PolarHBondContact O-N 2.99Å
273K96.1Very high95.5Very high86 Ų8684 Ų8437%0.37442%0.421SS..Hα-helixtrans-57.6-51.7171.1-69.5169.2-176.3174.60110.8A229 E266 K269 Q270 K275 T276 E277A229-K273 HydrophobicContact CB-CG 4.15Å; E266-K273 IonicContact OE1-NZ 2.67Å; E266-K273 PolarHBondContact OE1-NZ 3.3Å; E266-K273 IonicContact OE2-NZ 3.3Å; E266-K273 PolarHBondContact OE2-NZ 3.44Å; K269-K273 WeakPolarHBondContact O-CG 3.39Å; K269-K273 PolarHBondContact O-N 2.85Å; Q270-K273 HydrophobicContact CG-CD 4.44Å; Q270-K273 PolarHBondContact O-N 3.08Å; K273-K275 PolarHBondContact O-N 3.48Å; K273-T276 PolarHBondContact O-N 3.43Å; K273-E277 PolarHBondContact O-N 2.94Å
274R96.8Very high95.4Very high146 Ų14684 Ų8455%0.55141%0.412SS*.Hα-helixtrans-60.8-41.8176.8-68.1178.5-135.7154.74112.8Q270 E277 A278Q270-R274 WeakPolarHBondContact O-CB 3.45Å; Q270-R274 WeakPolarHBondContact O-CG 3.49Å; Q270-R274 PolarHBondContact O-N 3.47Å; R274-E277 PolarHBondContact O-N 3.1Å; R274-A278 WeakPolarHBondContact O-CB 3.5Å; R274-A278 PolarHBondContact O-N 3.41Å
275K95.7Very high95.4Very high93 Ų9390.8 Ų90.840%0.40444%0.44SS..Hα-helixtrans-59.6-46.5174.3-77.7176.4175.1-1760111.9L232 V271 Y272 K273 A278 A279L232-K275 HydrophobicContact CD2-CB 3.58Å; L232-K275 HydrophobicContact CD2-CD 4.04Å; L232-K275 HydrophobicContact CD2-CG 4.46Å; V271-K275 HydrophobicContact CG1-CD 4.44Å; V271-K275 WeakPolarHBondContact O-CB 3.2Å; V271-K275 WeakPolarHBondContact O-CG 3.27Å; V271-K275 PolarHBondContact O-N 2.86Å; Y272-K275 HydrophobicContact CD1-CD 4.14Å; Y272-K275 HydrophobicContact CE1-CD 4.34Å; Y272-K275 PolarHBondContact O-N 3.34Å; K273-K275 PolarHBondContact O-N 3.48Å; K275-A278 PolarHBondContact O-N 3.23Å; K275-A279 WeakPolarHBondContact O-CB 3.41Å; K275-A279 PolarHBondContact O-N 3.25Å
276T95.6Very high95.3Very high26 Ų2690.8 Ų90.816%0.1644%0.436CS..Hα-helixtrans-63.3-38.9176-79.10000112.1V227 S228 A229 Y272 K273 K280V227-T276 VanDerWaalsContact O-CG2 3.31Å; V227-T276 WeakPolarHBondContact O-CG2 3.33Å; V227-T276 PolarHBondContact O-OG1 3.02Å; S228-T276 VanDerWaalsContact C-OG1 3.24Å; A229-T276 WeakPolarHBondContact CA-OG1 3.34Å; A229-T276 PolarHBondContact N-OG1 2.89Å; A229-T276 VanDerWaalsContact N-OG1 3.12Å; Y272-T276 PolarHBondContact O-N 2.99Å; K273-T276 PolarHBondContact O-N 3.43Å; T276-K280 WeakPolarHBondContact O-CB 3.5Å; T276-K280 PolarHBondContact O-N 3.18Å
277E96.3Very high95.1Very high131 Ų13188.8 Ų88.861%0.61243%0.428SS*.Hα-helixtrans-66.7-43.8176.5-165.4-167136.700112.1K273 R274 A279 K280 K281K273-E277 PolarHBondContact O-N 2.94Å; R274-E277 PolarHBondContact O-N 3.1Å; E277-A279 PolarHBondContact O-N 3.41Å; E277-K280 WeakPolarHBondContact O-CA 3.38Å; E277-K280 WeakPolarHBondContact O-CB 3.25Å; E277-K280 PolarHBondContact O-N 3.45Å; E277-K280 VanDerWaalsContact O-N 3.1Å; E277-K281 PolarHBondContact O-N 3Å
278A96.5Very high94.9Very high60 Ų6084.5 Ų84.550%0.49642%0.419SS..Hα-helixtrans-58.3-48174.300000111.3R274 K275 K280 K281 E282R274-A278 WeakPolarHBondContact O-CB 3.5Å; R274-A278 PolarHBondContact O-N 3.41Å; K275-A278 PolarHBondContact O-N 3.23Å; A278-K280 VanDerWaalsContact C-N 3.26Å; A278-K280 PolarHBondContact O-N 2.91Å; A278-K281 WeakPolarHBondContact O-CB 3.48Å; A278-K281 PolarHBondContact O-N 3.48Å; A278-K281 VanDerWaalsContact O-N 3.16Å; A278-E282 WeakPolarHBondContact O-CB 3.34Å; A278-E282 PolarHBondContact O-N 3.09Å
279A95.2Very high94.8Very high37 Ų3782 Ų8231%0.30642%0.415SS..Hα-helixtrans-62.9-29.8175.200000113P226 K275 E277 Y283P226-A279 HydrophobicContact CB-CB 4Å; K275-A279 WeakPolarHBondContact O-CB 3.41Å; K275-A279 PolarHBondContact O-N 3.25Å; E277-A279 PolarHBondContact O-N 3.41Å; A279-Y283 VanDerWaalsContact O-CB 3.25Å; A279-Y283 WeakPolarHBondContact O-CB 3.4Å; A279-Y283 PolarHBondContact O-N 3.2Å
280K94Very high94.5Very high124 Ų12482.8 Ų82.854%0.53942%0.418SS..Hα-helixtrans-70.8-41.4172.8-175.6-175.4175.5-172.60112P226 T276 E277 A278 L284P226-K280 HydrophobicContact CG-CB 3.96Å; P226-K280 HydrophobicContact CG-CG 4.36Å; T276-K280 WeakPolarHBondContact O-CB 3.5Å; T276-K280 PolarHBondContact O-N 3.18Å; E277-K280 WeakPolarHBondContact O-CA 3.38Å; E277-K280 WeakPolarHBondContact O-CB 3.25Å; E277-K280 PolarHBondContact O-N 3.45Å; E277-K280 VanDerWaalsContact O-N 3.1Å; A278-K280 VanDerWaalsContact C-N 3.26Å; A278-K280 PolarHBondContact O-N 2.91Å; K280-L284 WeakPolarHBondContact O-CG 3.48Å; K280-L284 PolarHBondContact O-N 2.96Å; K280-L284 VanDerWaalsContact O-N 3.09Å
281K95.3Very high94.2Very high165 Ų16586 Ų8672%0.71743%0.431SS*.Hα-helixtrans-64.9-41.5174.6-172.9174.6-178174.40111.4E277 A278 L284 K285E277-K281 PolarHBondContact O-N 3Å; A278-K281 WeakPolarHBondContact O-CB 3.48Å; A278-K281 PolarHBondContact O-N 3.48Å; A278-K281 VanDerWaalsContact O-N 3.16Å; K281-L284 PolarHBondContact O-N 3.26Å; K281-K285 PolarHBondContact O-N 2.88Å; K281-K285 VanDerWaalsContact O-N 3.08Å
282E94.4Very high93.8Very high139 Ų13988.2 Ų88.265%0.6544%0.441SS*.Hα-helixtrans-64.7-48174.5-175.8172.1-153.300112.1A278 L284 K285 A286A278-E282 WeakPolarHBondContact O-CB 3.34Å; A278-E282 PolarHBondContact O-N 3.09Å; E282-L284 VanDerWaalsContact C-N 3.27Å; E282-L284 PolarHBondContact O-N 3.41Å; E282-K285 PolarHBondContact O-N 3.45Å; E282-K285 VanDerWaalsContact O-N 3.1Å; E282-A286 WeakPolarHBondContact O-CB 3.39Å; E282-A286 PolarHBondContact O-N 2.92Å
283Y94.4Very high93.2Very high39 Ų3990 Ų9015%0.15345%0.453CS..Hα-helixtrans-54.5-41.4174166.7-91.9000112.3P223 Q224 K225 A279 L287P223-Y283 HydrophobicContact CB-CD2 3.95Å; P223-Y283 HydrophobicContact CB-CE2 4.28Å; P223-Y283 HydrophobicContact CG-CD2 4.38Å; P223-Y283 HydrophobicContact CG-CE2 4.3Å; P223-Y283 VanDerWaalsContact O-CE2 3.3Å; P223-Y283 WeakPolarHBondContact O-CE2 3.49Å; Q224-Y283 WeakPolarHBondContact O-CD2 3.25Å; K225-Y283 HydrophobicContact CB-CE2 4.23Å; K225-Y283 VanDerWaalsContact CE-OH 3.26Å; K225-Y283 WeakPolarHBondContact CE-OH 3.32Å; K225-Y283 HydrophobicContact CG-CD2 4.32Å; K225-Y283 HydrophobicContact CG-CE1 4.44Å; K225-Y283 HydrophobicContact CG-CE2 3.51Å; A279-Y283 VanDerWaalsContact O-CB 3.25Å; A279-Y283 WeakPolarHBondContact O-CB 3.4Å; A279-Y283 PolarHBondContact O-N 3.2Å; Y283-L287 HydrophobicContact CE1-CD2 4.06Å; Y283-L287 WeakPolarHBondContact O-CB 3.5Å; Y283-L287 PolarHBondContact O-N 3.21Å
284L93.5Very high92.4Very high99 Ų9990.4 Ų90.452%0.51846%0.456SS..Hα-helixtrans-67.6-40.7177-70.5171.4000112.4K280 K281 E282 L287 A288K280-L284 WeakPolarHBondContact O-CG 3.48Å; K280-L284 PolarHBondContact O-N 2.96Å; K280-L284 VanDerWaalsContact O-N 3.09Å; K281-L284 PolarHBondContact O-N 3.26Å; E282-L284 VanDerWaalsContact C-N 3.27Å; E282-L284 PolarHBondContact O-N 3.41Å; L284-L287 PolarHBondContact O-N 2.94Å; L284-A288 PolarHBondContact O-N 2.9Å; L284-A288 VanDerWaalsContact O-N 3.08Å
285K94.6Very high91.3Very high170 Ų17090.1 Ų90.174%0.73946%0.461SS*.Hα-helixtrans-62.2-47173.9-174.2-168.4175.8-166.60111.2K281 E282 L287 A288 A289K281-K285 PolarHBondContact O-N 2.88Å; K281-K285 VanDerWaalsContact O-N 3.08Å; E282-K285 PolarHBondContact O-N 3.45Å; E282-K285 VanDerWaalsContact O-N 3.1Å; K285-L287 VanDerWaalsContact C-N 3.33Å; K285-L287 PolarHBondContact O-N 3.47Å; K285-A288 PolarHBondContact O-N 3.22Å; K285-A289 PolarHBondContact O-N 3.19Å
286A93.2Very high90.1Very high39 Ų3989.1 Ų89.132%0.32247%0.465SS..Hα-helixtrans-66.6-33.7178.900000112.1P223 E282 A289 Y290P223-A286 HydrophobicContact CB-CB 3.71Å; P223-A286 HydrophobicContact CG-CB 4.2Å; E282-A286 WeakPolarHBondContact O-CB 3.39Å; E282-A286 PolarHBondContact O-N 2.92Å; A286-A289 PolarHBondContact O-N 2.87Å; A286-Y290 VanDerWaalsContact O-CB 3.24Å; A286-Y290 WeakPolarHBondContact O-CB 3.29Å; A286-Y290 PolarHBondContact O-N 3.3Å
287L90.7Very high88.2Confident50 Ų5093.2 Ų93.226%0.26248%0.482SS..Hα-helixtrans-69.7-33.4175.3-174.566.9000112.4P223 Y283 L284 K285 K291P223-L287 HydrophobicContact CG-CB 4.1Å; P223-L287 HydrophobicContact CG-CD1 4.19Å; Y283-L287 HydrophobicContact CE1-CD2 4.06Å; Y283-L287 WeakPolarHBondContact O-CB 3.5Å; Y283-L287 PolarHBondContact O-N 3.21Å; L284-L287 PolarHBondContact O-N 2.94Å; K285-L287 VanDerWaalsContact C-N 3.33Å; K285-L287 PolarHBondContact O-N 3.47Å; L287-K291 WeakPolarHBondContact O-CG 3.33Å; L287-K291 PolarHBondContact O-N 3.34Å
288A92.6Very high86.4Confident63 Ų6390.2 Ų90.252%0.52148%0.48SS..Hα-helixtrans-66.3-50.2170.500000110.9L284 K285 Y290 K291 D292L284-A288 PolarHBondContact O-N 2.9Å; L284-A288 VanDerWaalsContact O-N 3.08Å; K285-A288 PolarHBondContact O-N 3.22Å; A288-Y290 VanDerWaalsContact C-N 3.32Å; A288-Y290 PolarHBondContact O-N 3.44Å; A288-K291 PolarHBondContact O-N 2.76Å; A288-D292 WeakPolarHBondContact O-CB 3.46Å; A288-D292 PolarHBondContact O-N 3.14Å
289A91.2Very high84.4Confident47 Ų4792 Ų9239%0.38849%0.485SS..Hα-helixtrans-60.8-37.3177.300000113.1K285 A286 D292 N293K285-A289 PolarHBondContact O-N 3.19Å; A286-A289 PolarHBondContact O-N 2.87Å; A289-D292 PolarHBondContact O-N 3.28Å; A289-N293 WeakPolarHBondContact O-CB 3.17Å; A289-N293 PolarHBondContact O-N 2.8Å; A289-N293 PolarHBondContact O-ND2 3.32Å
290Y89.9Confident82.5Confident54 Ų5495.1 Ų95.121%0.21250%0.499CS..Hα-helixtrans-66.6-35.6176.5-178.2-92.3000112.5N221 E222 A286 A288 Q294N221-Y290 HydrophobicContact CB-CD2 4.46Å; N221-Y290 HydrophobicContact CB-CE2 4.12Å; N221-Y290 WeakPolarHBondContact O-CD2 3.16Å; E222-Y290 HydrophobicContact CB-CE2 4.46Å; A286-Y290 VanDerWaalsContact O-CB 3.24Å; A286-Y290 WeakPolarHBondContact O-CB 3.29Å; A286-Y290 PolarHBondContact O-N 3.3Å; A288-Y290 VanDerWaalsContact C-N 3.32Å; A288-Y290 PolarHBondContact O-N 3.44Å; Y290-Q294 HydrophobicContact CD1-CG 4.45Å; Y290-Q294 HydrophobicContact CE1-CG 3.96Å; Y290-Q294 WeakPolarHBondContact O-CG 3.4Å; Y290-Q294 PolarHBondContact O-N 3Å; Y290-Q294 VanDerWaalsContact O-N 3.11Å; Y290-Q294 PolarHBondContact OH-OE1 3.28Å
291K88.4Confident80.6Confident138 Ų13896.7 Ų96.760%0.651%0.509SS*.Hα-helixtrans-67.2-48.2173.2-76.1-179.1171.6-162.80111.7L287 A288 N293 Q294 E295L287-K291 WeakPolarHBondContact O-CG 3.33Å; L287-K291 PolarHBondContact O-N 3.34Å; A288-K291 PolarHBondContact O-N 2.76Å; K291-N293 VanDerWaalsContact C-N 3.33Å; K291-N293 PolarHBondContact O-N 3.08Å; K291-Q294 PolarHBondContact O-N 3.16Å; K291-Q294 VanDerWaalsContact O-N 3.16Å; K291-E295 PolarHBondContact O-N 3Å
292D89.1Confident78.4Confident106 Ų10694.7 Ų94.757%0.56751%0.51SS*.Hα-helixtrans-55.1-46.8176.3-170.571.2000111.3A288 A289 Q294 E295 C296A288-D292 WeakPolarHBondContact O-CB 3.46Å; A288-D292 PolarHBondContact O-N 3.14Å; A289-D292 PolarHBondContact O-N 3.28Å; D292-Q294 PolarHBondContact O-N 3.37Å; D292-E295 PolarHBondContact O-N 3.34Å; D292-C296 PolarHBondContact O-N 2.96Å; D292-C296 VanDerWaalsContact O-N 3.15Å; D292-C296 PolarHBondContact O-SG 3.19Å
293N83.7Confident76.5Confident79 Ų7994 Ų9442%0.42252%0.516SS..Hα-helixtrans-69.4-27.7177.7-82.4-106.2000114.1A289 K291 Q297A289-N293 WeakPolarHBondContact O-CB 3.17Å; A289-N293 PolarHBondContact O-N 2.8Å; A289-N293 PolarHBondContact O-ND2 3.32Å; K291-N293 VanDerWaalsContact C-N 3.33Å; K291-N293 PolarHBondContact O-N 3.08Å; N293-Q297 WeakPolarHBondContact O-CB 3.47Å; N293-Q297 WeakPolarHBondContact O-CG 3.3Å; N293-Q297 PolarHBondContact O-N 2.86Å
294Q80.5Confident74.2Confident93 Ų93100.6 Ų100.644%0.43555%0.548SS..Hα-helixtrans-69.4-40.6172.7-79.5-178.6134.200111.6Y290 K291 D292 C296 Q297 A298Y290-Q294 HydrophobicContact CD1-CG 4.45Å; Y290-Q294 HydrophobicContact CE1-CG 3.96Å; Y290-Q294 WeakPolarHBondContact O-CG 3.4Å; Y290-Q294 PolarHBondContact O-N 3Å; Y290-Q294 VanDerWaalsContact O-N 3.11Å; Y290-Q294 PolarHBondContact OH-OE1 3.28Å; K291-Q294 PolarHBondContact O-N 3.16Å; K291-Q294 VanDerWaalsContact O-N 3.16Å; D292-Q294 PolarHBondContact O-N 3.37Å; Q294-C296 VanDerWaalsContact C-N 3.33Å; Q294-C296 PolarHBondContact O-N 3.27Å; Q294-Q297 PolarHBondContact O-N 3.47Å; Q294-A298 WeakPolarHBondContact O-CB 3.26Å; Q294-A298 PolarHBondContact O-N 2.57Å
295E73.5Confident72.1Confident141 Ų141103.5 Ų103.566%0.65956%0.563SS**Hα-helixtrans-62.8-41.9177-163.174.2174.200111K291 D292 Q297 T299K291-E295 PolarHBondContact O-N 3Å; D292-E295 PolarHBondContact O-N 3.34Å; E295-Q297 PolarHBondContact O-N 3.48Å; E295-T299 PolarHBondContact O-N 2.67Å; E295-T299 PolarHBondContact O-OG1 2.9Å
296C68.8Low70.1Confident72 Ų72102 Ų10249%0.48656%0.563SS.*Hα-helixtrans-70-25.3174.3-63.60000114D292 Q294 T299 V300D292-C296 PolarHBondContact O-N 2.96Å; D292-C296 VanDerWaalsContact O-N 3.15Å; D292-C296 PolarHBondContact O-SG 3.19Å; Q294-C296 VanDerWaalsContact C-N 3.33Å; Q294-C296 PolarHBondContact O-N 3.27Å; C296-T299 PolarHBondContact O-OG1 3.38Å; C296-V300 VanDerWaalsContact O-CG2 3.27Å; C296-V300 WeakPolarHBondContact O-CG2 3.37Å
297Q57.3Low68Low112 Ų112105.5 Ų105.552%0.52358%0.583SS.*Hα-helixtrans-78.7-42.1173.5-79.8-179.56.600111.9N293 Q294 E295 T299 V300 E301N293-Q297 WeakPolarHBondContact O-CB 3.47Å; N293-Q297 WeakPolarHBondContact O-CG 3.3Å; N293-Q297 PolarHBondContact O-N 2.86Å; Q294-Q297 PolarHBondContact O-N 3.47Å; E295-Q297 PolarHBondContact O-N 3.48Å; Q297-T299 PolarHBondContact O-N 2.76Å; Q297-T299 VanDerWaalsContact O-N 3.1Å; Q297-V300 PolarHBondContact O-N 3.45Å; Q297-E301 PolarHBondContact O-N 3.21Å
298A58.1Low66.1Low68 Ų68108.7 Ų108.756%0.56260%0.604SS**Hα-helixtrans-58.2-25.717900000113.4Q294Q294-A298 WeakPolarHBondContact O-CB 3.26Å; Q294-A298 PolarHBondContact O-N 2.57Å
299T53.6Low63.9Low98 Ų98111.4 Ų111.460%0.60162%0.616SS**THydrogen-bonded Turntrans-92.3-10.6178.641.80000114.7E295 C296 Q297E295-T299 PolarHBondContact O-N 2.67Å; E295-T299 PolarHBondContact O-OG1 2.9Å; C296-T299 PolarHBondContact O-OG1 3.38Å; Q297-T299 PolarHBondContact O-N 2.76Å; Q297-T299 VanDerWaalsContact O-N 3.1Å
300V56.7Low61.4Low101 Ų101118.1 Ų118.161%0.61264%0.639SS**THydrogen-bonded Turntrans-102.7-35.3-178.4173.60000112.3C296 Q297 T302 V303C296-V300 VanDerWaalsContact O-CG2 3.27Å; C296-V300 WeakPolarHBondContact O-CG2 3.37Å; Q297-V300 PolarHBondContact O-N 3.45Å; V300-T302 PolarHBondContact O-N 3.2Å; V300-V303 PolarHBondContact O-N 2.77Å
301E54.2Low59.2Low158 Ų158120.2 Ų120.274%0.73866%0.662SS**THydrogen-bonded Turntrans-69.8-6-175.7-153.1168.4122.300114.1Q297Q297-E301 PolarHBondContact O-N 3.21Å
302T48.5Very low57.3Low122 Ų122121.9 Ų121.975%0.74867%0.672SS**THydrogen-bonded Turntrans-89.7-6178-55.50000114.2V300V300-T302 PolarHBondContact O-N 3.2Å
303V53.3Low54.8Low125 Ų125123.2 Ų123.276%0.75868%0.684SS**SBendtrans-117.42-169.7-163.50000114.1V300V300-V303 PolarHBondContact O-N 2.77Å
304E47.2Very low52.6Low178 Ų178125.2 Ų125.283%0.83270%0.701SS**SBendtrans-126.449.4-177-161158.680.400113.5
305L49.2Very low50.9Low159 Ų159126.5 Ų126.583%0.83272%0.721SS**  trans-138.366.1174.7-71.9177.6000112.9P307L305-P307 WeakPolarHBondContact O-CD 3.07Å
306D51.9Low49.9Very low139 Ų139125.6 Ų125.674%0.74373%0.727SS**  trans-110.1100.6162.4-167.6-79.8000110.9V308D306-V308 PolarHBondContact O-N 3.42Å
307P50Low49.6Very low113 Ų113127.8 Ų127.873%0.73474%0.74SS**  trans-88.985.3-179.933.7-33.1000111.6L305 P309L305-P307 WeakPolarHBondContact O-CD 3.07Å; P307-P309 VanDerWaalsContact O-CD 3.3Å; P307-P309 WeakPolarHBondContact O-CD 3.17Å
308V51.5Low49.1Very low116 Ų116127.5 Ų127.570%0.70375%0.748SS**  trans-51118179.2179.20000112.6D306D306-V308 PolarHBondContact O-N 3.42Å
309P46.5Very low48.9Very low120 Ų120130.5 Ų130.578%0.77976%0.759SS**  trans-72.6142.9-179-20.734000114.4P307P307-P309 VanDerWaalsContact O-CD 3.3Å; P307-P309 WeakPolarHBondContact O-CD 3.17Å
310Q38.5Very low48.5Very low188 Ų188131.3 Ų131.388%0.87976%0.764SS**  trans-87111.6177.5-64.2178.9-8.100112.6
311S43Very low47.9Very low98 Ų98132.9 Ų132.969%0.68577%0.774SS**  trans-169.4128.2151.3-960000116.6
312Q47.4Very low47.5Very low173 Ų173129.2 Ų129.281%0.80877%0.771SS**  trans68.282.7134.8-61.6172.481.300120.1
313T37.3Very low47.5Very low135 Ų135131.1 Ų131.183%0.82878%0.777SS**  36.8114.7126-40.30000120.3
314P38.3Very low47.3Very low120 Ų120131.1 Ų131.178%0.77978%0.779SS**  trans-95165.2175.337.8-35.3000114.7
315S43.9Very low47.2Very low120 Ų120127.5 Ų127.584%0.83978%0.78SS**  trans-155.8156.6160.5-82.50000111.6
316P52.8Low47.2Very low122 Ų122125.2 Ų125.279%0.79278%0.777SS**  trans-101.5166.7-147.537.9-36.2000117.2
317P61.6Low47.1Very low119 Ų119123.8 Ų123.877%0.77378%0.776SS**  trans-99.4179.7-171.640.9-38.2000114.5
318P48.1Very low46.7Very low105 Ų105122.8 Ų122.868%0.68278%0.776SS**  trans-146.1141.3135.237.4-21.7000117.1
319V53.2Low46.7Very low132 Ų132123.1 Ų123.180%0.878%0.781SS**  trans61.2157.7146.5-52.80000120.4
320T45.2Very low46.5Very low115 Ų115121.7 Ų121.771%0.70678%0.779SS**  cis-157.6159.35.2-130000111.6
321T43.5Very low46.8Very low133 Ų133117.7 Ų117.782%0.81677%0.772SS**  trans66.7140.8146-56.70000119.8
322A46.7Very low46.7Very low82 Ų82118.8 Ų118.868%0.67878%0.775SS**  cis-169.9-178-23.600000110.3
323D49.5Very low46.6Very low162 Ų162119.3 Ų119.387%0.86678%0.777SS**  trans106112.6163.2-89.8-69000120.4
324P48.1Very low46.6Very low124 Ų124117.8 Ų117.881%0.80577%0.772SS**  trans-133.8133.1171.738.4-21.8000116.6
325A46.1Very low47Very low102 Ų102117.6 Ų117.684%0.84377%0.771SS**  trans-165.8161.9161.300000109.4
326S48.4Very low46.8Very low111 Ų111116.1 Ų116.178%0.77677%0.766SS**  cis167.2173.6-22.3-134.70000105.3
327P49.7Very low46.4Very low110 Ų110118.3 Ų118.371%0.71477%0.77SS**  -137.3172.3-113.140.7-21.6000119
328A41.1Very low45.7Very low91 Ų91117.7 Ų117.775%0.75277%0.769SS**  trans69.5176.4145.400000119.4
329P51Low45.4Very low123 Ų123118.5 Ų118.580%0.79977%0.774SS**  cis-137.2-164.4-4937.9-20.5000115
330A43.5Very low44.9Very low90 Ų90118 Ų11874%0.74478%0.775SS**  trans85.8152.4164.800000117.2
331S44.1Very low44.7Very low105 Ų105119.9 Ų119.973%0.73478%0.779SS**  cis-149.6160.715.5-620000114
332T40.4Very low44.5Very low120 Ų120119.6 Ų119.674%0.73678%0.777SS**  trans31.2138.8133.9-40.50000120.2
333E45.3Very low44.2Very low184 Ų184121.9 Ų121.986%0.8678%0.782SS**  cis-155.5-173.340.4-151.7149.874.100115.1
334S37.9Very low43.5Very low104 Ų104120.9 Ų120.973%0.72778%0.777SS**  trans-128.6-169.7177.8-131.40000109.6
335P47.8Very low43Very low116 Ų116121.1 Ų121.175%0.75378%0.781SS**  cis-153.4161.129.144.2-22000121.4
336A38.5Very low42.7Very low89 Ų89122 Ų12274%0.73678%0.777SS**  trans64.8170.6132.200000125.4
337L43.8Very low42.2Very low167 Ų167124.6 Ų124.687%0.87478%0.781SS**  trans80.6124.5-179.4-52.3-176.4000115.6
338S47.5Very low41.7Very low107 Ų107124.3 Ų124.375%0.74878%0.781SS**  cis-150.8164-1.2-780000112
339P42.5Very low41.4Very low122 Ų122124.9 Ų124.979%0.79278%0.78SS**  trans-122.1157.1-165.140.8-28.9000117.6
340C41.3Very low40.7Very low120 Ų120129.7 Ų129.781%0.81178%0.784SS**  trans-155.7114.1157.843.40000115.4
341I42.1Very low40.4Very low156 Ų156131.4 Ų131.480%0.878%0.784SS**  trans7.7146.2131.57.1178.8000118.1
342V40.1Very low40.2Very low126 Ų126130.8 Ų130.876%0.76479%0.786SS**  cis-156.4161.932.6-146.80000114.8
343V39.8Very low40Very low131 Ų131132.1 Ų132.179%0.79479%0.789SS**  trans71106161.3-166.10000119.6
344N34.1Very low39.7Very low141 Ų141133 Ų13375%0.75479%0.793SS**  trans-83.1155.7158.5-87.4-13000112.1
345S37.7Very low39.6Very low128 Ų128132.6 Ų132.690%0.89580%0.796SS**  trans-154.141.8139.8-80.60000113
346T39.4Very low39Very low122 Ų122136.9 Ų136.975%0.74880%0.803SS**  trans-92121.1166.1-55.70000109.1
347L39.3Very low39.1Very low165 Ų165137.7 Ų137.786%0.86480%0.803SS**  trans-153.663.8169.1-126.1174.6000112.9
348S38.6Very low38.8Very low103 Ų103133.2 Ų133.272%0.7280%0.797SS**  trans-73128.6159.4-68.70000109.9
349S34.4Very low38.5Very low103 Ų103134.8 Ų134.872%0.7281%0.805SS**  trans42.6105.315259.80000118.8
350Y36.5Very low38.1Very low225 Ų225132.7 Ų132.788%0.88281%0.805SS**  trans-135.2135.6138-140.1-91.9000110.5
351V38Very low37.8Very low125 Ų125130.8 Ų130.876%0.75881%0.806SS**  trans-106.1124-177.1177.60000108.8
352A39.3Very low37.5Very low93 Ų93132 Ų13277%0.76981%0.808SS**  trans-138.6124.7170.700000109.5
353N35.8Very low37.5Very low148 Ų148131.3 Ų131.379%0.79181%0.806SS**  trans-74.6143.8-179.2-67.3-76.1000111.6
354Q40.1Very low37.4Very low203 Ų203131.9 Ų131.995%0.94981%0.805SS**  -152.1148.5126.6-112.3169111.900109.9
355A34.9Very low37.6Very low95 Ų95132.3 Ų132.379%0.78581%0.805SS**  trans-102.2143.9-162.600000113
356F35.3Very low37.9Very low205 Ų205132.2 Ų132.290%0.89980%0.8SS**  trans-146.2163141.8-137.1-98.4000110.9
357S41.7Very low38Very low107 Ų107135.3 Ų135.375%0.74880%0.803SS**  trans-102.5139.6-159.647.70000115
358G37.3Very low38Very low72 Ų72135 Ų13574%0.74280%0.801SS**  trans167.3133.6171.300000111.6
359P39.7Very low38.1Very low140 Ų140137.3 Ų137.391%0.90980%0.804SS**  trans-98.5142.5-16735.7-34.2000115.3
360G35Very low38.6Very low78 Ų78139.7 Ų139.780%0.80481%0.807SS**  trans134.4107.1149.400000118.1
361G35.3Very low39.2Very low80 Ų80135.1 Ų135.183%0.82580%0.803SS**  trans74.292148.700000119.2
362Q35.9Very low39.6Very low183 Ų183139.1 Ų139.186%0.85581%0.81SS**  trans-76.9139.3167.3-96.8-88.4-5.100112.3
363P39Very low39.6Very low111 Ų111142.8 Ų142.872%0.72181%0.811SS**  trans-81.4149.2175.233-36000113.2
364N37.6Very low39.8Very low143 Ų143144.1 Ų144.177%0.76582%0.815SS**  trans-108.7106176.3-162.1-81.2000112.7
365I39.9Very low39.9Very low149 Ų149141.6 Ų141.676%0.76481%0.807SS**  trans32.188.9147.9-45.3-179.5000117.2
366T42.8Very low40.1Very low127 Ų127142.9 Ų142.978%0.77981%0.807SS**PPolyproline II helixtrans-78.8133.6160.2-55.60000110.4L368T366-L368 PolarHBondContact O-N 3Å
367K41.1Very low40.1Very low187 Ų187138.6 Ų138.681%0.81380%0.803SS**PPolyproline II helixtrans-58.3127.8172.9-71.7-179.6176.5177.20110.8I369K367-I369 PolarHBondContact O-N 3.43Å
368L39.3Very low40Very low157 Ų157139.6 Ų139.682%0.82281%0.81SS**PPolyproline II helixtrans-66.5120.4173.6-94.574000110.9T366T366-L368 PolarHBondContact O-N 3Å
369I42.3Very low39.9Very low152 Ų152143.6 Ų143.678%0.77981%0.812SS**  trans-92.6111.6161.7-64.8172.8000107K367 T371K367-I369 PolarHBondContact O-N 3.43Å; I369-T371 PolarHBondContact O-N 3.44Å; I369-T371 VanDerWaalsContact O-N 3.15Å
370I43.1Very low39.9Very low154 Ų154143.6 Ų143.679%0.7981%0.81SS**  trans-81.893.1178.4-58.3176.1000108.9K372I370-K372 PolarHBondContact O-N 3.02Å
371T49.3Very low40Very low129 Ų129147.6 Ų147.679%0.79181%0.81SS**PPolyproline II helixtrans-68.9125.1168.130000109.8I369 Q373I369-T371 PolarHBondContact O-N 3.44Å; I369-T371 VanDerWaalsContact O-N 3.15Å; T371-Q373 PolarHBondContact O-N 3.46Å
372K46.5Very low40.2Very low208 Ų208149.5 Ų149.590%0.90481%0.81SS**PPolyproline II helixtrans-72.4125.4-178.3-149-176.9-175.5-170.10110.6I370I370-K372 PolarHBondContact O-N 3.02Å
373Q40.1Very low40.5Very low171 Ų171150 Ų15080%0.79981%0.813SS**PPolyproline II helixtrans-64.3148.6-176.8-166.3-168.556.900112.7T371T371-Q373 PolarHBondContact O-N 3.46Å
374M40.5Very low40.5Very low175 Ų175148.8 Ų148.886%0.86282%0.82SS**PPolyproline II helixtrans-68.2148.6166.6-84.2-171.7158.700112.4
375L40.8Very low40.4Very low150 Ų150145.8 Ų145.879%0.78582%0.823SS**  trans-112.5155.8153.1-9878.3000109.8
376P39.4Very low40.3Very low123 Ų123147.7 Ų147.780%0.79983%0.831SS**  trans-89.7171-159.135.7-38.1000115.6
377S35Very low40Very low115 Ų115148 Ų14880%0.80483%0.832SS**  trans-65.1144-178.4-44.10000115
378S39.4Very low40.1Very low127 Ų127145 Ų14589%0.88883%0.83SS**  trans-125.8136153.4-76.60000109.5
379I36.8Very low40.1Very low156 Ų156143.6 Ų143.680%0.883%0.828SS**  trans-103133.3-174.3-61164.4000109.5
380T38.2Very low40.3Very low140 Ų140143.1 Ų143.186%0.85983%0.825SS**  trans-146.8148153-69.80000109.2
381M37.8Very low40.6Very low163 Ų163141.2 Ų141.280%0.80382%0.823SS**  trans-83.2149.3-170-59.3168.963.200113.9
382S39.4Very low40.2Very low119 Ų119139.8 Ų139.883%0.83282%0.824SS**  -163.8132.2118.1-85.10000114.3
383Q41.4Very low40.1Very low194 Ų194136 Ų13691%0.90782%0.819SS**  trans-1.9132.6164.8-51.3179.324.700120.6
384G38.9Very low40.2Very low85 Ų85134 Ų13488%0.87682%0.818SS**  trans119108.8145.500000116.5
385G37.4Very low40.1Very low80 Ų80132 Ų13283%0.82582%0.815SS**  trans10995.7170.400000113.9
386M36.4Very low40Very low189 Ų189130.6 Ų130.693%0.93181%0.813SS**  trans-97.7114.5178.758.9-164.7-179.800111.4
387V37.6Very low40.1Very low134 Ų134130.2 Ų130.281%0.81281%0.813SS**  trans-132.6111.5170.5-179.10000108.5
388T42Very low40.4Very low123 Ų123136.1 Ų136.176%0.75582%0.818SS**  trans-82.3123.7-179.9-540000110.3I390T388-I390 HydrophobicContact CG2-CG1 3.98Å
389V40.4Very low40.4Very low129 Ų129133.7 Ų133.778%0.78281%0.813SS**  trans-110116.1169.7-178.80000108.8
390I46.4Very low40.8Very low142 Ų142134.6 Ų134.673%0.72882%0.818SS**PPolyproline II helixtrans-98.4116.9179.4-55.4176.9000108.7T388 A392T388-I390 HydrophobicContact CG2-CG1 3.98Å; I390-A392 PolarHBondContact O-N 3.39Å
391P47.9Very low40.8Very low113 Ų113136.5 Ų136.573%0.73482%0.817SS**PPolyproline II helixtrans-73.2120.9166.929.7-31.3000109.4
392A41.6Very low40.9Very low100 Ų100137 Ų13783%0.82682%0.822SS**PPolyproline II helixtrans-65.9140.4179.500000111.7I390I390-A392 PolarHBondContact O-N 3.39Å
393T45.2Very low40.8Very low128 Ų128134.3 Ų134.379%0.78581%0.814SS**PPolyproline II helixtrans-82.5145.6-176.643.80000112.8V395T393-V395 PolarHBondContact O-N 2.81Å
394V42.3Very low40.6Very low130 Ų130133.9 Ų133.979%0.78881%0.812SS**PPolyproline II helixtrans-71.9119171.9177.60000109.4T396V394-T396 PolarHBondContact O-N 3.12Å
395V37.8Very low40.6Very low133 Ų133136.9 Ų136.981%0.80681%0.814SS**  trans-8696173.91780000109.6T393T393-V395 PolarHBondContact O-N 2.81Å
396T39Very low40.7Very low120 Ų120138.7 Ų138.774%0.73681%0.814SS**  trans-82.2118.9167.3-58.90000109.7V394 R398V394-T396 PolarHBondContact O-N 3.12Å; T396-R398 PolarHBondContact O-N 2.82Å
397S41Very low40.6Very low114 Ų114136.6 Ų136.680%0.79781%0.812SS**  trans-72.6105.6179.139.70000112.2
398R42.4Very low40.7Very low240 Ų240135 Ų13591%0.90681%0.812SS**  trans-83.9118.8164-97.9-178167.6153.4-2.9110.1T396T396-R398 PolarHBondContact O-N 2.82Å
399G39.3Very low40.5Very low76 Ų76135.2 Ų135.278%0.78481%0.813SS**  trans-76.6142.5165.400000111.5
400L43.8Very low40.6Very low175 Ų175136.6 Ų136.692%0.91682%0.815SS**  trans-133.7133.9164.7-92.9168.9000108.6
401Q39.8Very low40.4Very low179 Ų179138.2 Ų138.284%0.83682%0.819SS**  trans-83.3147.6174.8-54.1175.835.500110.2
402L39.1Very low40.2Very low173 Ų173137.8 Ų137.891%0.90682%0.817SS**  -175.9156.9126.3-122.768.3000111.7
403G37.4Very low40.3Very low64 Ų64138.8 Ų138.866%0.6682%0.817SS**  trans66.789.116300000116.4
404Q37.5Very low40.2Very low185 Ų185141.6 Ų141.686%0.86482%0.822SS**  48.4108.780.1-55.8-175.330.200115.5
405T38.5Very low40.2Very low148 Ų148144.1 Ų144.191%0.90883%0.825SS**  -171.8157.7114.420.30000112.2
406S39.7Very low40.4Very low118 Ų118141.8 Ų141.883%0.82582%0.82SS**  trans-74146.7-161.6-45.50000116.1
407T33Very low40.7Very low145 Ų145144.9 Ų144.989%0.8983%0.826SS**  trans-75.6144.8158.139.90000111.3
408A41.4Very low41.1Very low100 Ų100147.4 Ų147.483%0.82683%0.828SS**  trans-141.4127.4173.100000112.5
409T36.1Very low41.1Very low127 Ų127140.6 Ų140.678%0.77982%0.824SS**  trans-37.1141.6174.2-50.50000118.3
410I43.2Very low41.4Very low159 Ų159143.4 Ų143.482%0.81583%0.826SS**  trans174.6106.4136.8-91.3151.7000107.2
411Q41.9Very low41.5Very low175 Ų175146 Ų14682%0.81882%0.823SS**  77.3144.585.8-88.5-105.55.900115.2
412P45.1Very low41.6Very low105 Ų105142.3 Ų142.368%0.68282%0.818SS**  trans-121.4179.1-148.242.8-30.5000115.9
413S42.7Very low41.6Very low120 Ų120140 Ų14084%0.83981%0.811SS**  trans-154.4157.8159.3-86.30000114.4
414Q44.3Very low41.9Very low188 Ų188145.2 Ų145.288%0.87982%0.823SS**  trans-68.9164.4-170.3-59.416372.800112.4
415Q41.6Very low41.9Very low182 Ų182145.1 Ų145.185%0.8582%0.822SS**  -178.215869-172.9172.129.100112.8
416A41.4Very low41.9Very low84 Ų84142.2 Ų142.269%0.69481%0.813SS**  trans57.3106.6168.800000118
417Q45.6Very low41.7Very low186 Ų186141.6 Ų141.687%0.86982%0.815SS**  69.211466.3-67.7-171.5-0.400116.4
418I49.4Very low41.9Very low166 Ų166139.9 Ų139.985%0.85182%0.816SS**  -174.5148.2117.7-96.2160.7000111.1
419A42.9Very low41.5Very low98 Ų98140.1 Ų140.181%0.8182%0.817SS**  trans58.7108.9166.700000120
420T45.5Very low41.6Very low135 Ų135139.1 Ų139.183%0.82882%0.822SS**  trans-128134.3171.1-41.70000111
421R45.6Very low41.5Very low228 Ų228136.3 Ų136.386%0.8682%0.822SS**  trans176.7129.6145.5-99162.7164.5133.8-1.2108.5
422S42.1Very low41.5Very low103 Ų103132.5 Ų132.572%0.7282%0.821SS**  63.5135.773.5-440000111.7
423V39.1Very low41.5Very low125 Ų125132.7 Ų132.776%0.75883%0.825SS**  cis-147.4139.739.7166.80000111.9Q425V423-Q425 HydrophobicContact CG1-CB 4.36Å
424L43.6Very low41.7Very low173 Ų173134.8 Ų134.891%0.90682%0.823SS**  trans-89.7129.1149-118.893.1000107
425Q37.4Very low41.6Very low183 Ų183134.6 Ų134.686%0.85582%0.822SS**  trans157.2164.7156.9-175.6160.65.500110.9V423V423-Q425 HydrophobicContact CG1-CB 4.36Å
426A37.9Very low41.7Very low87 Ų87134 Ų13472%0.71982%0.824SS**  trans70.2113.6-163.700000112.4
427A36.6Very low42.5Very low105 Ų105135.3 Ų135.387%0.86883%0.826SS**  cis73.9143.630.500000114.3
428A35.9Very low43.2Very low109 Ų109131.7 Ų131.790%0.90182%0.818SS**  trans-80.7123.6-158.900000114.5
429A34.3Very low43.4Very low104 Ų104130 Ų13086%0.8682%0.818SS**  trans-170.683.6155.600000110.4
430A38.6Very low43.3Very low106 Ų106136.1 Ų136.188%0.87682%0.82SS**  trans-153.235.4178.800000114.3
431A40.9Very low43.6Very low100 Ų100138 Ų13883%0.82682%0.824SS**  trans-81.1140.2160.100000109
432A41.7Very low43.7Very low95 Ų95135.1 Ų135.179%0.78582%0.821SS**SBendtrans57.795.4177.800000117.4
433S45.1Very low44.6Very low110 Ų110135.1 Ų135.177%0.76982%0.818SS**  trans-178.7136.2135.9-85.30000112.8
434M45.5Very low45.8Very low164 Ų164134.7 Ų134.781%0.80882%0.818SS**  trans44.591.3158.8-47.2-49.6143.400117.3
435Q42.1Very low46.5Very low183 Ų183132.4 Ų132.486%0.85581%0.813SS**  6689.562.4-163.2172.7-11.200114.9
436L45.5Very low47Very low170 Ų170131.8 Ų131.889%0.8982%0.815SS**  trans-139143.3152.3-94.9126.6000108.4
437P57.2Low47.6Very low112 Ų112137.2 Ų137.273%0.72783%0.825SS**PPolyproline II helixtrans-87.6156.5-164.434.1-36.5000114.5
438P59.6Low48.3Very low110 Ų110140.7 Ų140.771%0.71482%0.824SS**PPolyproline II helixtrans-75156.5172.432.7-35.8000112.5R440P438-R440 PolarHBondContact O-N 2.91Å
439P53.3Low49.2Very low129 Ų129143.2 Ų143.284%0.83882%0.819SS**PPolyproline II helixtrans-67.2131.117428.9-34.4000110.9
440R42.7Very low50.5Low228 Ų228143.9 Ų143.986%0.8681%0.814SS**  trans-96.2106.1-176.4-165180-167.6179.64.7111.5P438P438-R440 PolarHBondContact O-N 2.91Å
441L50Low51.1Low173 Ų173146.9 Ų146.991%0.90681%0.81SS**  trans-84.3138.2160.5-73.4166.1000109.3
442Q49.6Very low51.7Low169 Ų169147.1 Ų147.179%0.7980%0.803SS**  trans-110.8137.8-168.4-173.3175.5-48.200111
443P60.5Low52.8Low102 Ų102148.9 Ų148.966%0.66281%0.807SS**PPolyproline II helixtrans-70.7157.3176.330-36.1000112.3
444P63.2Low52.7Low116 Ų116149.9 Ų149.975%0.75381%0.809SS**PPolyproline II helixtrans-67150.2175.629.3-35.6000111.7
445P58.6Low52.7Low125 Ų125150.6 Ų150.681%0.81281%0.81SS**PPolyproline II helixtrans-72.8136.1177.230.2-34.1000111.5Q447P445-Q447 PolarHBondContact O-N 2.73Å
446L48.3Very low52.8Low171 Ų171151.4 Ų151.490%0.89581%0.814SS**PPolyproline II helixtrans-69124.2164.8-68.1173.2000109Q448L446-Q448 PolarHBondContact O-N 3.24Å
447Q50.1Low52.7Low201 Ų201152 Ų15294%0.93981%0.812SS**PPolyproline II helixtrans-64.5124.2169.1-75.6-170.678.800109.5P445P445-Q447 PolarHBondContact O-N 2.73Å
448Q51.9Low52.3Low178 Ų178153 Ų15383%0.83282%0.816SS**PPolyproline II helixtrans-78.4138.4-175.8-164.7168.915.900111.2L446L446-Q448 PolarHBondContact O-N 3.24Å
449M54Low51.4Low161 Ų161153.3 Ų153.379%0.79382%0.815SS**PPolyproline II helixtrans-59.2138.3179.8-170.6-176.3-57.700111.8Q451M449-Q451 PolarHBondContact O-N 3.4Å
450P61.4Low51.1Low118 Ų118154.1 Ų154.177%0.76681%0.811SS**PPolyproline II helixtrans-60.6125.5173.4-21.832.9000111.3
451Q51.5Low51Low169 Ų169150.6 Ų150.679%0.7981%0.809SS**PPolyproline II helixtrans-78.7141.7169.8-68.4-164.613.100110.7M449M449-Q451 PolarHBondContact O-N 3.4Å
452P54.9Low50.9Low105 Ų105151.4 Ų151.468%0.68281%0.808SS**PPolyproline II helixtrans-74.1138.8174.130.7-33.8000111T454P452-T454 PolarHBondContact O-N 3.1Å
453P63.2Low50.9Low133 Ų133150.8 Ų150.886%0.86481%0.805SS**PPolyproline II helixtrans-67.8125.2175.727.9-33.6000110.6
454T44.2Very low50.6Low131 Ų131151.1 Ų151.180%0.80481%0.807SS**PPolyproline II helixtrans-86.3151.8173.4-39.80000110P452P452-T454 PolarHBondContact O-N 3.1Å
455Q44.2Very low50.6Low179 Ų179151.5 Ų151.584%0.83681%0.81SS**  trans73.699.6174.8-49-142.298.200117.1
456Q45.7Very low50.2Low200 Ų200150.2 Ų150.294%0.93580%0.802SS**  -150.5155104.8-107.6171.14100111.3
457Q42.3Very low49.8Very low182 Ų182150.6 Ų150.685%0.8580%0.803SS**  trans-103.2105.5-162.7-177.7-179.536.900110.9
458V49.7Very low49.6Very low134 Ų134150.1 Ų150.181%0.81280%0.801SS**  trans-128.2110.8169.8-175.80000109.7I460V458-I460 PolarHBondContact O-N 3.31Å
459T39.4Very low49Very low115 Ų115146.3 Ų146.371%0.70680%0.8SS**  trans-79.9104.7-175.8-55.90000111.6
460I48.2Very low48.8Very low146 Ų146146.7 Ų146.775%0.74980%0.802SS**  trans-129111.6154.7-62.4-176.1000108.1V458V458-I460 PolarHBondContact O-N 3.31Å
461L41.3Very low48Very low155 Ų155149 Ų14981%0.81280%0.803SS**  trans-78.3136.3168.5-62-177.2000109.3
462Q45.9Very low47.7Very low189 Ų189149.8 Ų149.888%0.88381%0.806SS**  trans-139.5122.8151.7-152143.911400110.4
463Q51.2Low47.6Very low156 Ų156150.3 Ų150.373%0.72981%0.81SS**PPolyproline II helixtrans-96.1144.2-167.8178.6-176.7-8.800110P465Q463-P465 WeakPolarHBondContact O-CD 3.35Å
464P54.3Low46.9Very low109 Ų109149.4 Ų149.471%0.70880%0.804SS**PPolyproline II helixtrans-65.2124.817027.2-33.5000109.7
465P63.5Low46.8Very low125 Ų125149.1 Ų149.181%0.81280%0.804SS**PPolyproline II helixtrans-70.4126.6-178.227.1-33.3000111Q463Q463-P465 WeakPolarHBondContact O-CD 3.35Å
466P48.5Very low46.9Very low98 Ų98150.1 Ų150.164%0.63681%0.809SS**PPolyproline II helixtrans-81.3162.5178.933.6-35.5000112.5Q468P466-Q468 PolarHBondContact O-N 3.04Å
467L40.8Very low46.7Very low178 Ų178149.8 Ų149.893%0.93280%0.804SS**PPolyproline II helixtrans-62.9122.9173.9-62.1170.1000111.5
468Q45.5Very low46.9Very low191 Ų191148 Ų14889%0.89381%0.805SS**  trans-137.7149.4159.4-68.9-163.2-3.700110.4P466P466-Q468 PolarHBondContact O-N 3.04Å
469A39.9Very low46.5Very low98 Ų98151.3 Ų151.381%0.8180%0.803SS**  trans-115.6126.6-164.400000113.1
470M50Low46.9Very low169 Ų169153.6 Ų153.683%0.83381%0.809SS**  trans-170.1147167-99.8162.464.400107.2
471Q44.9Very low46.3Very low167 Ų167151.5 Ų151.578%0.7880%0.8SS**  cis-160.5144.4-21.7-161.4132.464.100107.5
472Q44.9Very low46.4Very low185 Ų185151.8 Ų151.886%0.86480%0.802SS**  trans-74.2150.4171.4-70.8-174.4-1.500111
473P51.5Low45.8Very low117 Ų117150 Ų15076%0.7679%0.793SS**  -139.4-164.6120.746.3-33.8000111
474P48.8Very low45.4Very low113 Ų113151.5 Ų151.573%0.73480%0.8SS**  -118.6169.4-115.914.812000114.8
475P43.2Very low44.8Very low125 Ų125154.7 Ų154.781%0.81281%0.806SS**  trans-79.2146.1-178.232.5-35.7000113.4
476Q46.5Very low44.1Very low201 Ų201154 Ų15494%0.93980%0.801SS**  trans-124.9158.4163.4-68.7-159.77.100111.9
477K41.3Very low44Very low193 Ų193155.2 Ų155.284%0.83981%0.809SS**  trans-144.9103.7-148.9179.3-178.9-175.5174.80110.4
478V45Very low44.2Very low144 Ų144152 Ų15287%0.87380%0.799SS**  trans-110137.7172.1-176.90000109.3I480V478-I480 HydrophobicContact CG1-CD1 4.3Å
479R43Very low43.9Very low203 Ų203150.6 Ų150.677%0.76680%0.796SS**  trans-135.5114.5-166.5168.9-169.3177.3156.91.5109.1
480I47Very low44Very low163 Ų163155.1 Ų155.184%0.83680%0.801SS**  trans-123.4142.3155.5-74.288.7000107.3V478V478-I480 HydrophobicContact CG1-CD1 4.3Å
481N35.4Very low43.5Very low103 Ų103152.3 Ų152.355%0.55180%0.798SS**  trans-147.5124.5-172.5167.5-24.2000107.7
482L42.9Very low43.4Very low161 Ų161154.4 Ų154.484%0.84380%0.804SS**  trans-167.4115.5151.9-125.555.9000105.6
483Q34.8Very low43.2Very low151 Ų151152.5 Ų152.571%0.70680%0.798SS**  74.673.556.4-172.476.481.200112.9
484Q41.3Very low43.3Very low188 Ų188153.6 Ų153.688%0.87980%0.803SS**  trans-160.2157.4138.6-125.2129.2115.500112.5
485Q42.1Very low43.2Very low176 Ų176153.4 Ų153.482%0.82280%0.802SS**  trans-123.9139-170.9168-170.7-21.600109.9
486P49.7Very low43.6Very low111 Ų111153.5 Ų153.572%0.72180%0.802SS**  trans-91157.6172.334.8-32.8000113.8
487P45.3Very low43.6Very low123 Ų123149.9 Ų149.980%0.79980%0.796SS**  trans-96.3178-175.738.8-35.3000114.3
488P44.9Very low43.5Very low110 Ų110144.8 Ų144.871%0.71479%0.79SS**  trans-113.9167.3-161.442.6-35.2000116.9
489L38.9Very low43.3Very low161 Ų161145.4 Ų145.484%0.84379%0.788SS**  trans65.6141.4170.6-46.3-179.4000114.7
490Q42.9Very low43.4Very low193 Ų193145.6 Ų145.690%0.90279%0.794SS**  cis-155.7161.544.9-69.2174.912.100111.4
491S39.2Very low43.1Very low110 Ų110145.6 Ų145.677%0.76979%0.793SS**  trans-103.4149.5178.645.60000112.9
492K42.4Very low43.3Very low212 Ų212150.3 Ų150.392%0.92281%0.811SS**  trans-147.9141171.3-135.7171.9-174.9177.30111.3
493I41Very low43Very low144 Ų144147 Ų14774%0.73881%0.807SS**  trans-103.1142.6-168-72.469.5000110.7
494V53.5Low43.1Very low140 Ų140146.4 Ų146.485%0.84881%0.814SS**  trans-144.2133162.3-175.80000109.6
495P47.6Very low43Very low110 Ų110143.6 Ų143.671%0.71481%0.809SS**  trans-104164-178.638.8-34.6000114.9
496P49.8Very low42.8Very low126 Ų126142.4 Ų142.482%0.81881%0.808SS**  trans-106.5160.3178.539.3-33.8000115.3
497P46.8Very low42.8Very low125 Ų125142.6 Ų142.681%0.81281%0.809SS**  trans-112.2135.3-178.938.4-31.1000117.9
498A40.4Very low43.3Very low87 Ų87141.8 Ų141.872%0.71980%0.804SS**  trans44.1117.1135.300000125.6
499L40.9Very low42.7Very low156 Ų156142.2 Ų142.282%0.81780%0.804SS**  65.6123.3124-60.3174.4000123.8
500K43.8Very low42.7Very low207 Ų207140.7 Ų140.790%0.980%0.802SS**  -173.3169.998.4-106.3173-179.61730114.4
501M41.1Very low42.3Very low164 Ų164139.9 Ų139.981%0.80880%0.798SS**  trans-127.6163.6-167-63.2147.358.100114.3
502Q41.1Very low42.6Very low202 Ų202140.3 Ų140.394%0.94480%0.801SS**  trans-165.6166.5150.4-108.1146.7103.200111.6
503A36.4Very low42.9Very low92 Ų92135.8 Ų135.876%0.7680%0.796SS**  trans-155.6-170.5-162.400000115.1
504T36.5Very low43.2Very low138 Ų138134 Ų13485%0.84779%0.794SS**  trans87134.6165.8-54.60000117.1
505V39Very low42.5Very low128 Ų128136.3 Ų136.378%0.77680%0.795SS**  cis-152.4-130.2-15.664.60000113.3
506L37.6Very low42Very low152 Ų152139.6 Ų139.680%0.79680%0.801SS**  trans-138-157-158-55.1166.3000115
507P50Low41.8Very low115 Ų115137.8 Ų137.875%0.74779%0.789SS**  -126.6-130.9-129.536.6-8.3000112.7
508P55.5Low41.5Very low105 Ų105140 Ų14068%0.68279%0.791SS**  cis-137.8-165.2-25.930.9-6000116.3
509T33Very low41.4Very low119 Ų119142.7 Ų142.773%0.7379%0.793SS**  trans109.2155141.9-19.40000121.8
510V38.8Very low41.2Very low130 Ų130139.7 Ų139.779%0.78879%0.785SS**  trans77.4150.9165.4-48.70000121.1
511E34.8Very low41.2Very low175 Ų175134.9 Ų134.982%0.81878%0.778SS**  cis-177151.4-30.8178.5166.984.700110.8
512S44.2Very low41.6Very low120 Ų120132.7 Ų132.784%0.83978%0.776SS**  trans143.9165.1150.6-66.10000117.5
513S50.1Low41.5Very low116 Ų116131.6 Ų131.681%0.81177%0.77SS**  trans-153.8-161.1-170.7-150.10000110.6
514P47.5Very low41.5Very low108 Ų108130.4 Ų130.470%0.70176%0.761SS**  cis-133.9-160.9-25.937.4-15.5000114.6
515E38.6Very low41.7Very low188 Ų188132.2 Ų132.288%0.87976%0.759SS**  trans149.2-178.8138.1-71.7-157.380.500118
516Q36.1Very low41.5Very low179 Ų179131 Ų13184%0.83675%0.753SS**  trans-129.3-161.8-141.1-126.5-173.4-17.900115.2
517P45Very low41.6Very low87 Ų87130 Ų13057%0.56575%0.753SS**  cis-143.9-176-23.336-12.4000119.3
518M41.2Very low41Very low172 Ų172133.3 Ų133.385%0.84776%0.758SS**  trans68.7133140.574.8-170.3174.500128.4
519N37.9Very low40.1Very low144 Ų144132.4 Ų132.477%0.7776%0.759SS**  159.4140.8101.6-168.338.9000119.7
520S37.7Very low40.2Very low93 Ų93133.6 Ų133.665%0.6577%0.766SS**  trans62.9169.4156.9-85.80000122.7
521S43.7Very low40.2Very low105 Ų105132.7 Ų132.773%0.73477%0.766SS**  cis-171.3169-31.1-85.80000112
522P49.8Very low41Very low118 Ų118129.2 Ų129.277%0.76676%0.759SS**  trans-136.3-158.7-159.642.7-23.2000119.9
523E37.7Very low41Very low179 Ų179131.8 Ų131.884%0.83676%0.757SS**  trans95.8151.1166.5-58.7-149.773.900119.7
524A37.1Very low40.6Very low68 Ų68131.8 Ų131.856%0.56275%0.752SS**  cis-170.9-177.6-17.900000113.7
525H40.9Very low40.4Very low175 Ų175133.7 Ų133.781%0.8176%0.755SS**  trans82.8164.1159.4-65.2-58.7000123.8
526T34Very low40.4Very low104 Ų104130.1 Ų130.164%0.63875%0.75SS**  cis-178.2129.9-42.2-81.50000114.1
527V40.4Very low40.9Very low131 Ų131130.9 Ų130.979%0.79475%0.753SS**  trans54.5165.9167.7-51.90000121.9
528E36.6Very low40.8Very low184 Ų184134.9 Ų134.986%0.8677%0.767SS**  cis-145.3-154.5-3.9-143.1172.47100114
529A37.2Very low41.4Very low85 Ų85135.5 Ų135.570%0.70277%0.771SS**  trans-135.7176.8-15500000118.3
530T35.6Very low41.5Very low144 Ų144133.1 Ų133.188%0.88377%0.772SS**  trans163.1162.9142.2-68.80000114.1
531S38.7Very low41.7Very low111 Ų111136 Ų13678%0.77678%0.78SS**  trans-137.9-136.9178.9-149.20000111.4
532P52Low42.3Very low103 Ų103136.7 Ų136.767%0.66978%0.779SS**  cis-145.7-173.4-4.646.9-26.6000118.4
533E43.9Very low42Very low174 Ų174137.7 Ų137.781%0.81378%0.783SS**  trans68.9173.5154.9-50.5-146.2117.900121.6
534T40.9Very low42.6Very low115 Ų115134.7 Ų134.771%0.70678%0.779SS**  cis-160.2172.516.5-31.80000115
535I43.8Very low42.8Very low148 Ų148140.7 Ų140.776%0.75980%0.795SS**  trans84.8130.3161.4-54.8170.4000117.7
536C38.8Very low43.4Very low113 Ų113138.8 Ų138.876%0.76480%0.796SS**  cis105.21234.4-62.50000119
537E46.1Very low44.1Very low195 Ų195142.9 Ų142.991%0.91181%0.807SS**  179.1175.4126.3-105-170.778.400114.4
538M43.5Very low43.9Very low172 Ų172141.8 Ų141.885%0.84781%0.806SS**  trans-159.6155.9-160.861.1-171.7178.500114.1
539I53.1Low44.3Very low184 Ų184138.5 Ų138.594%0.94480%0.8SS**  trans-153.8160.3170.39.3173.4000112.1
540A40.9Very low44.6Very low94 Ų94139.3 Ų139.378%0.77780%0.801SS**  trans-154.3-179.8-165.200000115.8
541D40.5Very low44.8Very low154 Ų154141.1 Ų141.182%0.82480%0.799SS**  trans96.6166.9150.9-130.6-78.9000121.6
542V57.3Low45.2Very low120 Ų120144.9 Ų144.973%0.72781%0.807SS**  trans86.6115.9171.9-171.10000119.8
543V43.1Very low44.5Very low139 Ų139146.9 Ų146.984%0.84281%0.812SS**  trans-139.3137.2158.2173.40000108.4
544P51.2Low44.6Very low115 Ų115144.5 Ų144.575%0.74781%0.809SS**  trans-120.6152.5163.636.9-26.1000113.9
545E41.1Very low44.7Very low195 Ų195147.2 Ų147.291%0.91181%0.814SS**  trans-99.1151.7176.4-179.81799200110.8
546V52.1Low44.5Very low135 Ų135148.1 Ų148.182%0.81882%0.819SS**  trans-147.9109.1168.762.30000113.9
547E49Very low45Very low189 Ų189149.3 Ų149.388%0.88382%0.823SS**  trans25.1150.8136.4-147.8160.690.600123
548S37.4Very low44.8Very low108 Ų108146.2 Ų146.276%0.75582%0.822SS**  trans-132.2140.4-174.9174.50000112.7
549P43.7Very low44.9Very low115 Ų115141.1 Ų141.175%0.74782%0.815SS**  trans-118.7105.3169.335.6-22.9000114.8
550S43.6Very low44.5Very low102 Ų102137.4 Ų137.471%0.71381%0.805SS**  trans21.2125.4135.3600000123
551Q39.2Very low44.7Very low182 Ų182139.2 Ų139.285%0.8581%0.809SS**  66.6117.3120.5-171.6-179.1101.700121.5
552M47.1Very low45.1Very low190 Ų190138 Ų13894%0.93681%0.807SS**  -160.7165.8123.162.1-177.4-165.900112.3
553D39.4Very low44.4Very low145 Ų145138.7 Ų138.778%0.77581%0.811SS**  trans-98.8-175.7-161-99.2-96.5000115.9
554V44.5Very low44.9Very low124 Ų124140 Ų14075%0.75281%0.812SS**  trans82132.3166.6-168.40000114.3
555E42.4Very low44.9Very low172 Ų172139.2 Ų139.280%0.80481%0.81SS**  cis-137.4163.713.7-153.7162.282.900113.3
556L40.9Very low46.3Very low167 Ų167135.6 Ų135.687%0.87480%0.803SS**  trans-84.9126.2170.9-95.770.5000112
557V48.4Very low47.2Very low139 Ų139136.8 Ų136.884%0.84280%0.8SS**  trans-119.9122.9154.31610000109.3G559V557-G559 PolarHBondContact O-N 3.46Å
558S43.3Very low48.8Very low129 Ų129132.3 Ų132.390%0.90279%0.787SS**  trans-82111-178.3178.90000111.2
559G44.9Very low51.3Low66 Ų66136.4 Ų136.468%0.6879%0.786SS**  trans-123.6131.9172.800000111.5V557V557-G559 PolarHBondContact O-N 3.46Å
560S43.8Very low53.7Low106 Ų106131.1 Ų131.174%0.74175%0.752SS**  trans-62.1150.6-173-57.70000114V562S560-V562 PolarHBondContact O-N 2.64Å; S560-V562 VanDerWaalsContact O-N 3.1Å
561P45.9Very low56Low132 Ų132129.2 Ų129.286%0.85774%0.736SS**  trans-66.5111.2177.427.7-34.7000111.1
562V47.8Very low58.5Low129 Ų129123.2 Ų123.278%0.78271%0.705SS**  trans-80.2126.8169.2-178.10000108.5S560 L564S560-V562 PolarHBondContact O-N 2.64Å; S560-V562 VanDerWaalsContact O-N 3.1Å; V562-L564 PolarHBondContact O-N 2.85Å
563T43.6Very low60.5Low134 Ų134119 Ų11982%0.82270%0.695SS**  trans-57.4108.5178.5-53.20000110.8S565T563-S565 PolarHBondContact O-N 3.29Å
564L52.6Low62.9Low165 Ų165115.5 Ų115.586%0.86469%0.693SS**  trans-67.795.2175.5-77.5165.5000110V562V562-L564 PolarHBondContact O-N 2.85Å
565S52Low65.1Low99 Ų99110.2 Ų110.269%0.69266%0.661SS**  trans-58.8132.4163.2-169.80000108.6T563 Q567T563-S565 PolarHBondContact O-N 3.29Å; S565-Q567 PolarHBondContact O-N 3.15Å
566P71.6Confident67.3Low119 Ų119111 Ų11177%0.77367%0.665SS**  trans-64.4110.6-177.826.1-33.7000109.7
567Q69.9Low69.7Low160 Ų160107.6 Ų107.675%0.74865%0.647SS**  trans-59.2139.9171.6-69.2-171.9-2.100109.2S565 R569S565-Q567 PolarHBondContact O-N 3.15Å; Q567-R569 PolarHBondContact O-N 2.99Å
568P82.4Confident71.7Confident96 Ų96104.9 Ų104.962%0.62363%0.633SS**  trans-60133171.627.5-33.8000108.6P579P568-P579 HydrophobicContact CB-CG 4.25Å; P568-P579 WeakPolarHBondContact O-CD 3.43Å
569R89.8Confident74Confident194 Ų194100 Ų10073%0.73260%0.598SS**  trans-110.9155.3174.963.3179.8177.5-176.8-1.5109.3Q567 V571Q567-R569 PolarHBondContact O-N 2.99Å; R569-V571 PolarHBondContact O-N 3.05Å
570C93.8Very high76.1Confident4 Ų4100.1 Ų100.13%0.02759%0.585CS.*  trans-53.4131.2175.6-1780000111.7R572 C575 N577 E588 C590 C594C570-R572 PolarHBondContact O-N 3.03Å; C570-C575 HydrophobicContact CB-CB 3.93Å; C570-N577 WeakPolarHBondContact CB-O 3.21Å; C570-N577 PolarHBondContact N-O 3.32Å; C570-E588 WeakPolarHBondContact CA-O 3.22Å; C570-C590 HydrophobicContact CB-CB 4.16Å; C570-C594 VanDerWaalsContact SG-CB 3.59Å
571V92.6Very high78.2Confident62 Ų62102.4 Ų102.438%0.37659%0.588SS.*SBendtrans-63.6-20.5-178.9167.60000113.2R569 S573 E588 Y589R569-V571 PolarHBondContact O-N 3.05Å; V571-S573 PolarHBondContact O-N 3.34Å; V571-E588 HydrophobicContact CB-CB 4.42Å; V571-E588 HydrophobicContact CG2-CB 3.79Å; V571-E588 HydrophobicContact CG2-CG 4.17Å; V571-E588 PolarHBondContact N-O 2.9Å; V571-Y589 HydrophobicContact CB-CD1 4.49Å; V571-Y589 HydrophobicContact CB-CE1 3.97Å; V571-Y589 HydrophobicContact CG1-CE1 4.21Å
572R91.5Very high79.9Confident55 Ų5597 Ų9721%0.20855%0.553CS.*SBendtrans-68.1120.8175.1-164.2-157.186.3-1627.9110.8C570 G574 C575 C594 H598C570-R572 PolarHBondContact O-N 3.03Å; R572-G574 PolarHBondContact NH2-O 3.44Å; R572-G574 PolarHBondContact O-N 2.92Å; R572-C575 HydrophobicContact CB-CB 4.34Å; R572-C575 VanDerWaalsContact O-CB 3.3Å; R572-C575 WeakPolarHBondContact O-CB 3.26Å; R572-C575 PolarHBondContact O-N 3.34Å; R572-C575 VanDerWaalsContact O-N 3.1Å; R572-C594 HydrophobicContact CB-CB 4.12Å; R572-C594 PolarHBondContact NH1-SG 3.27Å; R572-H598 HydrophobicContact CB-CB 4.18Å; R572-H598 HydrophobicContact CG-CB 4.05Å
573S88.7Confident81.9Confident102 Ų102101 Ų10171%0.71356%0.56SS**THydrogen-bonded Turntrans-44.2134.1168.6-56.10000112.3V571V571-S573 PolarHBondContact O-N 3.34Å
574G89.4Confident83.9Confident71 Ų71101.3 Ų101.373%0.73256%0.556SS**THydrogen-bonded Turntrans64.735.4-176.700000113.7R572R572-G574 PolarHBondContact NH2-O 3.44Å; R572-G574 PolarHBondContact O-N 2.92Å
575C91.4Very high85.5Confident13 Ų1395.7 Ų95.79%0.08852%0.524CS..  trans-129.5119.1166.8-166.90000109.6C570 R572 C590C570-C575 HydrophobicContact CB-CB 3.93Å; R572-C575 HydrophobicContact CB-CB 4.34Å; R572-C575 VanDerWaalsContact O-CB 3.3Å; R572-C575 WeakPolarHBondContact O-CB 3.26Å; R572-C575 PolarHBondContact O-N 3.34Å; R572-C575 VanDerWaalsContact O-N 3.1Å; C575-C590 PolarHBondContact SG-SG 3.24Å
576E89.8Confident87.2Confident188 Ų18897.3 Ų97.388%0.87953%0.525SS*.  trans-100-2.3-176.8-69.3165.3104.800112.8
577N89.6Confident87.9Confident96 Ų9695.1 Ų95.151%0.51351%0.507SS..SBendtrans-67.5144.5177.6-66-54.3000111.6C570 C590C570-N577 WeakPolarHBondContact CB-O 3.21Å; C570-N577 PolarHBondContact N-O 3.32Å; N577-C590 HydrophobicContact CB-CB 3.56Å
578P90.5Very high89Confident82 Ų8291.8 Ų91.853%0.53249%0.491SS..PPolyproline II helixtrans-63.7146.4169.528.9-35000110.2C590P578-C590 WeakPolarHBondContact O-CB 3.37Å
579P92.6Very high89.6Confident26 Ų2688.2 Ų88.217%0.16947%0.465CS..PPolyproline II helixtrans-59.8148.5172.7-25.735.6000113.3P568 N587P568-P579 HydrophobicContact CB-CG 4.25Å; P568-P579 WeakPolarHBondContact O-CD 3.43Å; P579-N587 WeakPolarHBondContact CB-O 3.31Å; P579-N587 WeakPolarHBondContact CG-O 3.25Å
580V89.7Confident89.7Confident69 Ų6980.1 Ų80.142%0.41844%0.438SS..PPolyproline II helixtrans-90.2141.1169.669.50000109.2S582 W585 Y589V580-S582 PolarHBondContact O-N 2.86Å; V580-W585 HydrophobicContact CG1-CZ2 3.86Å; V580-Y589 WeakPolarHBondContact CG1-O 3.46Å; V580-Y589 PolarHBondContact N-O 2.95Å
581I86.9Confident89.7Confident154 Ų15481.9 Ų81.979%0.7945%0.451SS*.PPolyproline II helixtrans-65.7121.9175.7-62.9174.9000108.7N587I581-N587 WeakPolarHBondContact CA-OD1 3.37Å; I581-N587 WeakPolarHBondContact CG2-OD1 3.4Å
582S82.4Confident89.7Confident20 Ų2083.8 Ų83.814%0.1446%0.459CS..  trans-146.7153.9-179.587.70000110.8V580 D584 W585 N587V580-S582 PolarHBondContact O-N 2.86Å; S582-D584 PolarHBondContact OG-N 3.07Å; S582-W585 VanDerWaalsContact OG-CE2 3.24Å; S582-W585 PolarHBondContact OG-N 2.92Å; S582-W585 VanDerWaalsContact OG-N 3.16Å; S582-W585 PolarHBondContact OG-NE1 3.11Å; S582-W585 VanDerWaalsContact OG-NE1 3.12Å; S582-N587 PolarHBondContact N-OD1 3.28Å; S582-N587 PolarHBondContact O-OD1 3.41Å
583K88Confident89.9Confident213 Ų21387 Ų8793%0.92648%0.476SS*.SBendtrans-88.3-10.2172.7-64.8-172.7177.6-175.20112.6
584D87.5Confident90.1Very high139 Ų13982.3 Ų82.374%0.74344%0.443SS*.SBendtrans-95.4-16.8-172-54-92.7000113.5S582S582-D584 PolarHBondContact OG-N 3.07Å
585W84.9Confident90.4Very high48 Ų4880.2 Ų80.218%0.18242%0.416CS..SBendtrans-151.138.9-174.958.171.7000115V580 S582 N587 E588 Y589 N592 V595V580-W585 HydrophobicContact CG1-CZ2 3.86Å; S582-W585 VanDerWaalsContact OG-CE2 3.24Å; S582-W585 PolarHBondContact OG-N 2.92Å; S582-W585 VanDerWaalsContact OG-N 3.16Å; S582-W585 PolarHBondContact OG-NE1 3.11Å; S582-W585 VanDerWaalsContact OG-NE1 3.12Å; W585-N587 PolarHBondContact O-N 3.38Å; W585-E588 WeakPolarHBondContact O-CB 3.42Å; W585-E588 PolarHBondContact O-N 3.06Å; W585-Y589 HydrophobicContact CB-CD2 3.76Å; W585-Y589 HydrophobicContact CB-CE2 4.15Å; W585-Y589 AromaticContact CD1-CD2 3.7Å; W585-Y589 AromaticContact CG-CD2 3.81Å; W585-Y589 HydrophobicContact CG-CD2 3.81Å; W585-Y589 PolarHBondContact NE1-O 2.94Å; W585-Y589 VanDerWaalsContact NE1-O 3.15Å; W585-N592 HydrophobicContact CH2-CB 4.1Å; W585-N592 HydrophobicContact CZ3-CB 4.46Å; W585-V595 HydrophobicContact CB-CG2 4.38Å; W585-V595 HydrophobicContact CD2-CG2 3.6Å; W585-V595 HydrophobicContact CE3-CG2 3.7Å; W585-V595 HydrophobicContact CG-CG2 3.94Å; W585-V595 HydrophobicContact CZ3-CG2 4.23Å
586D87.4Confident90.5Very high133 Ų13383.7 Ų83.771%0.71144%0.437SS*.THydrogen-bonded Turntrans49.821.7170.5-84.4-82.6000116.6E588D586-E588 VanDerWaalsContact C-N 3.33Å; D586-E588 HydrophobicContact CB-CG 4.36Å
587N87.8Confident90.8Very high73 Ų7379 Ų7939%0.3941%0.413SS..THydrogen-bonded Turntrans60.436.2-172.4-30.4-72.9000113.5P579 I581 S582 W585P579-N587 WeakPolarHBondContact CB-O 3.31Å; P579-N587 WeakPolarHBondContact CG-O 3.25Å; I581-N587 WeakPolarHBondContact CA-OD1 3.37Å; I581-N587 WeakPolarHBondContact CG2-OD1 3.4Å; S582-N587 PolarHBondContact N-OD1 3.28Å; S582-N587 PolarHBondContact O-OD1 3.41Å; W585-N587 PolarHBondContact O-N 3.38Å
588E92.1Very high91Very high90 Ų9076.2 Ų76.242%0.42140%0.398SS..  trans-94.1-17.4179.5-71.3-165.2138.400115C570 V571 W585 D586C570-E588 WeakPolarHBondContact CA-O 3.22Å; V571-E588 HydrophobicContact CB-CB 4.42Å; V571-E588 HydrophobicContact CG2-CB 3.79Å; V571-E588 HydrophobicContact CG2-CG 4.17Å; V571-E588 PolarHBondContact N-O 2.9Å; W585-E588 WeakPolarHBondContact O-CB 3.42Å; W585-E588 PolarHBondContact O-N 3.06Å; D586-E588 VanDerWaalsContact C-N 3.33Å; D586-E588 HydrophobicContact CB-CG 4.36Å
589Y94.6Very high91.2Very high20 Ų2075.7 Ų75.78%0.07840%0.395CS..  trans-128.4142.7-171.5-53.2-97.2000112V571 V580 W585 C594 V595 H598V571-Y589 HydrophobicContact CB-CD1 4.49Å; V571-Y589 HydrophobicContact CB-CE1 3.97Å; V571-Y589 HydrophobicContact CG1-CE1 4.21Å; V580-Y589 WeakPolarHBondContact CG1-O 3.46Å; V580-Y589 PolarHBondContact N-O 2.95Å; W585-Y589 HydrophobicContact CB-CD2 3.76Å; W585-Y589 HydrophobicContact CB-CE2 4.15Å; W585-Y589 AromaticContact CD1-CD2 3.7Å; W585-Y589 AromaticContact CG-CD2 3.81Å; W585-Y589 HydrophobicContact CG-CD2 3.81Å; W585-Y589 PolarHBondContact NE1-O 2.94Å; W585-Y589 VanDerWaalsContact NE1-O 3.15Å; Y589-C594 HydrophobicContact CD1-CB 4.49Å; Y589-V595 HydrophobicContact CD1-CB 4.48Å; Y589-V595 HydrophobicContact CD1-CG2 4.08Å; Y589-V595 HydrophobicContact CD2-CG2 3.79Å; Y589-V595 HydrophobicContact CG-CB 4.39Å; Y589-V595 HydrophobicContact CG-CG2 3.54Å; Y589-H598 HydrophobicContact CD1-CB 4.48Å; Y589-H598 HydrophobicContact CE1-CB 3.73Å; Y589-H598 AromaticContact CE1-CD2 3.75Å; Y589-H598 AromaticContact CE1-CG 3.82Å; Y589-H598 AromaticContact CZ-CD2 3.89Å; Y589-H598 PolarHBondContact OH-CD2 3.39Å
590C93.3Very high91.4Very high25 Ų2582.6 Ų82.617%0.16942%0.418CS..SBendtrans-77.2-20.1179.769.60000113.8C570 C575 N577 P578 C594C570-C590 HydrophobicContact CB-CB 4.16Å; C575-C590 PolarHBondContact SG-SG 3.24Å; N577-C590 HydrophobicContact CB-CB 3.56Å; P578-C590 WeakPolarHBondContact O-CB 3.37Å; C590-C594 PolarHBondContact SG-SG 3.12Å
591S92.5Very high91.6Very high41 Ų4182.9 Ų82.929%0.28742%0.417SS..SBendtrans-161.7156.6-177.264.20000111.5E593 C594 V595S591-E593 PolarHBondContact O-N 2.59Å; S591-C594 WeakPolarHBondContact O-CB 3.21Å; S591-C594 PolarHBondContact O-N 3.02Å; S591-C594 PolarHBondContact OG-N 3.25Å; S591-C594 PolarHBondContact OG-SG 3.39Å; S591-C594 VanDerWaalsContact OG-SG 3.4Å; S591-V595 PolarHBondContact O-N 2.85Å
592N93.4Very high92Very high102 Ų10279.2 Ų79.255%0.54540%0.402SS..Hα-helixtrans-55.9-38.9174.6-171.1-37.7000111.5W585 C594 V595 V596W585-N592 HydrophobicContact CH2-CB 4.1Å; W585-N592 HydrophobicContact CZ3-CB 4.46Å; N592-C594 VanDerWaalsContact C-N 3.25Å; N592-C594 PolarHBondContact O-N 3.03Å; N592-V595 WeakPolarHBondContact O-CB 3.31Å; N592-V595 PolarHBondContact O-N 3.44Å; N592-V595 VanDerWaalsContact O-N 3.13Å; N592-V596 WeakPolarHBondContact O-CG2 2.94Å; N592-V596 PolarHBondContact O-N 2.9Å; N592-V596 WeakPolarHBondContact OD1-CG2 3.31Å
593E94.5Very high92.6Very high121 Ų12184 Ų8457%0.56542%0.42SS*.Hα-helixtrans-54.1-38.6171-83.2-160.676.200113.8S591 K597S591-E593 PolarHBondContact O-N 2.59Å; E593-K597 VanDerWaalsContact O-CB 3.25Å; E593-K597 WeakPolarHBondContact O-CB 3.46Å; E593-K597 WeakPolarHBondContact O-CD 3.39Å; E593-K597 VanDerWaalsContact O-CG 3.23Å; E593-K597 WeakPolarHBondContact O-CG 3.43Å; E593-K597 PolarHBondContact O-N 2.78Å; E593-K597 IonicContact OE1-NZ 2.64Å; E593-K597 PolarHBondContact OE1-NZ 3.39Å
594C94.8Very high92.9Very high5 Ų578.1 Ų78.13%0.03440%0.398CS..Hα-helixtrans-75.9-32179.9-670000112.4C570 R572 Y589 C590 S591 N592 H598C570-C594 VanDerWaalsContact SG-CB 3.59Å; R572-C594 HydrophobicContact CB-CB 4.12Å; R572-C594 PolarHBondContact NH1-SG 3.27Å; Y589-C594 HydrophobicContact CD1-CB 4.49Å; C590-C594 PolarHBondContact SG-SG 3.12Å; S591-C594 WeakPolarHBondContact O-CB 3.21Å; S591-C594 PolarHBondContact O-N 3.02Å; S591-C594 PolarHBondContact OG-N 3.25Å; S591-C594 PolarHBondContact OG-SG 3.39Å; S591-C594 VanDerWaalsContact OG-SG 3.4Å; N592-C594 VanDerWaalsContact C-N 3.25Å; N592-C594 PolarHBondContact O-N 3.03Å; C594-H598 WeakPolarHBondContact O-CB 3.43Å; C594-H598 PolarHBondContact O-N 2.85Å
595V94.5Very high93.2Very high26 Ų2674.2 Ų74.216%0.15839%0.385CS..Hα-helixtrans-60-57.2167.7-174.60000109.4W585 Y589 S591 N592 K597 H598 C599W585-V595 HydrophobicContact CB-CG2 4.38Å; W585-V595 HydrophobicContact CD2-CG2 3.6Å; W585-V595 HydrophobicContact CE3-CG2 3.7Å; W585-V595 HydrophobicContact CG-CG2 3.94Å; W585-V595 HydrophobicContact CZ3-CG2 4.23Å; Y589-V595 HydrophobicContact CD1-CB 4.48Å; Y589-V595 HydrophobicContact CD1-CG2 4.08Å; Y589-V595 HydrophobicContact CD2-CG2 3.79Å; Y589-V595 HydrophobicContact CG-CB 4.39Å; Y589-V595 HydrophobicContact CG-CG2 3.54Å; S591-V595 PolarHBondContact O-N 2.85Å; N592-V595 WeakPolarHBondContact O-CB 3.31Å; N592-V595 PolarHBondContact O-N 3.44Å; N592-V595 VanDerWaalsContact O-N 3.13Å; V595-K597 VanDerWaalsContact C-N 3.34Å; V595-K597 PolarHBondContact O-N 3.04Å; V595-H598 PolarHBondContact O-N 3.22Å; V595-C599 WeakPolarHBondContact O-CB 3.45Å; V595-C599 PolarHBondContact O-N 3.31Å; V595-C599 PolarHBondContact O-SG 2.91Å
596V94.4Very high93.7Very high87 Ų8777.8 Ų77.853%0.52740%0.399SS..Hα-helixtrans-60.6-40.9-176.1173.70000112.2N592 R600N592-V596 WeakPolarHBondContact O-CG2 2.94Å; N592-V596 PolarHBondContact O-N 2.9Å; N592-V596 WeakPolarHBondContact OD1-CG2 3.31Å; V596-R600 WeakPolarHBondContact O-CB 3.47Å; V596-R600 PolarHBondContact O-N 3.05Å
597K94.7Very high94Very high88 Ų8873.7 Ų73.738%0.38338%0.378SS..Hα-helixtrans-66.7-47175.8-73.3165.7176.2167.60111.2E593 V595 C599 R600 D601E593-K597 VanDerWaalsContact O-CB 3.25Å; E593-K597 WeakPolarHBondContact O-CB 3.46Å; E593-K597 WeakPolarHBondContact O-CD 3.39Å; E593-K597 VanDerWaalsContact O-CG 3.23Å; E593-K597 WeakPolarHBondContact O-CG 3.43Å; E593-K597 PolarHBondContact O-N 2.78Å; E593-K597 IonicContact OE1-NZ 2.64Å; E593-K597 PolarHBondContact OE1-NZ 3.39Å; V595-K597 VanDerWaalsContact C-N 3.34Å; V595-K597 PolarHBondContact O-N 3.04Å; K597-C599 PolarHBondContact O-N 3.3Å; K597-R600 WeakPolarHBondContact O-CB 3.49Å; K597-R600 PolarHBondContact O-N 3Å; K597-R600 VanDerWaalsContact O-N 3.14Å; K597-D601 PolarHBondContact O-N 3.3Å
598H95Very high94.2Very high39 Ų3972.5 Ų72.518%0.18138%0.378CS..Hα-helixtrans-60.2-43.8175.6-175.670.8000112.7R572 Y589 C594 V595 R600 D601 V602R572-H598 HydrophobicContact CB-CB 4.18Å; R572-H598 HydrophobicContact CG-CB 4.05Å; Y589-H598 HydrophobicContact CD1-CB 4.48Å; Y589-H598 HydrophobicContact CE1-CB 3.73Å; Y589-H598 AromaticContact CE1-CD2 3.75Å; Y589-H598 AromaticContact CE1-CG 3.82Å; Y589-H598 AromaticContact CZ-CD2 3.89Å; Y589-H598 PolarHBondContact OH-CD2 3.39Å; C594-H598 WeakPolarHBondContact O-CB 3.43Å; C594-H598 PolarHBondContact O-N 2.85Å; V595-H598 PolarHBondContact O-N 3.22Å; H598-R600 VanDerWaalsContact C-N 3.31Å; H598-R600 PolarHBondContact O-N 3.44Å; H598-D601 PolarHBondContact O-N 3.24Å; H598-D601 VanDerWaalsContact O-N 3.15Å; H598-V602 WeakPolarHBondContact NE2-CG2 3.47Å; H598-V602 WeakPolarHBondContact O-CB 3.31Å; H598-V602 WeakPolarHBondContact O-CG2 3.22Å; H598-V602 PolarHBondContact O-N 2.83Å
599C95Very high94.2Very high71 Ų7173 Ų7348%0.4839%0.392SS..Hα-helixtrans-61.3-38.1175.5-66.30000112.2V595 K597 F603V595-C599 WeakPolarHBondContact O-CB 3.45Å; V595-C599 PolarHBondContact O-N 3.31Å; V595-C599 PolarHBondContact O-SG 2.91Å; K597-C599 PolarHBondContact O-N 3.3Å; C599-F603 WeakPolarHBondContact O-CB 3.5Å; C599-F603 PolarHBondContact O-N 3.08Å
600R95.5Very high93.8Very high171 Ų17180.2 Ų80.265%0.64542%0.419SS*.Hα-helixtrans-63.1-47.1171.1168.3-178.8-88.3-119.32111.1V596 K597 H598 F603 L604V596-R600 WeakPolarHBondContact O-CB 3.47Å; V596-R600 PolarHBondContact O-N 3.05Å; K597-R600 WeakPolarHBondContact O-CB 3.49Å; K597-R600 PolarHBondContact O-N 3Å; K597-R600 VanDerWaalsContact O-N 3.14Å; H598-R600 VanDerWaalsContact C-N 3.31Å; H598-R600 PolarHBondContact O-N 3.44Å; R600-F603 PolarHBondContact O-N 2.96Å; R600-L604 HydrophobicContact CG-CD1 3.75Å; R600-L604 HydrophobicContact CG-CG 4.29Å; R600-L604 WeakPolarHBondContact O-CB 3.4Å; R600-L604 VanDerWaalsContact O-CG 3.29Å; R600-L604 WeakPolarHBondContact O-CG 3.34Å; R600-L604 PolarHBondContact O-N 3.31Å
601D95.3Very high93Very high75 Ų7582.9 Ų82.940%0.40143%0.431SS..Hα-helixtrans-64.3-45.2-176.7-60.4-29.1000111.4K597 H598 L604 A605K597-D601 PolarHBondContact O-N 3.3Å; H598-D601 PolarHBondContact O-N 3.24Å; H598-D601 VanDerWaalsContact O-N 3.15Å; D601-L604 PolarHBondContact O-N 2.91Å; D601-A605 WeakPolarHBondContact O-CB 2.9Å; D601-A605 PolarHBondContact O-N 3.49Å
602V94.4Very high91.8Very high77 Ų7785.5 Ų85.547%0.46745%0.447SS..Hα-helixtrans-62.8-42.3174.1172.20000111.4H598 A605 W606H598-V602 WeakPolarHBondContact NE2-CG2 3.47Å; H598-V602 WeakPolarHBondContact O-CB 3.31Å; H598-V602 WeakPolarHBondContact O-CG2 3.22Å; H598-V602 PolarHBondContact O-N 2.83Å; V602-A605 PolarHBondContact O-N 2.76Å; V602-W606 VanDerWaalsContact O-CB 3.28Å; V602-W606 WeakPolarHBondContact O-CB 3.22Å; V602-W606 PolarHBondContact O-N 2.74Å
603F95.5Very high90.4Very high119 Ų11988 Ų8852%0.52246%0.461SS..Hα-helixtrans-64-43.3176.1179.4-100.3000112.1C599 R600 W606 V607C599-F603 WeakPolarHBondContact O-CB 3.5Å; C599-F603 PolarHBondContact O-N 3.08Å; R600-F603 PolarHBondContact O-N 2.96Å; F603-W606 HydrophobicContact CD2-CE3 4.28Å; F603-W606 HydrophobicContact CE2-CE3 4.15Å; F603-W606 HydrophobicContact CE2-CZ3 4Å; F603-W606 PolarHBondContact O-N 2.81Å; F603-V607 HydrophobicContact CD1-CG2 4.11Å; F603-V607 HydrophobicContact CE1-CG2 3.67Å; F603-V607 HydrophobicContact CE2-CG2 4.12Å; F603-V607 HydrophobicContact CZ-CG2 3.67Å; F603-V607 WeakPolarHBondContact O-CG2 3.48Å; F603-V607 PolarHBondContact O-N 2.85Å
604L94.9Very high88.7Confident91 Ų9184.5 Ų84.548%0.47645%0.45SS..Hα-helixtrans-65.2-41.8177.3-71.9171.9000111.8R600 D601 W606 V607 A608R600-L604 HydrophobicContact CG-CD1 3.75Å; R600-L604 HydrophobicContact CG-CG 4.29Å; R600-L604 WeakPolarHBondContact O-CB 3.4Å; R600-L604 VanDerWaalsContact O-CG 3.29Å; R600-L604 WeakPolarHBondContact O-CG 3.34Å; R600-L604 PolarHBondContact O-N 3.31Å; D601-L604 PolarHBondContact O-N 2.91Å; L604-W606 VanDerWaalsContact C-N 3.32Å; L604-W606 PolarHBondContact O-N 2.8Å; L604-V607 PolarHBondContact O-N 2.83Å; L604-A608 WeakPolarHBondContact O-CB 3.3Å; L604-A608 PolarHBondContact O-N 3.04Å
605A93.5Very high86.7Confident56 Ų5690 Ų9046%0.46348%0.483SS..Hα-helixtrans-60.8-42.3173.400000111.2D601 V602 A608 S609D601-A605 WeakPolarHBondContact O-CB 2.9Å; D601-A605 PolarHBondContact O-N 3.49Å; V602-A605 PolarHBondContact O-N 2.76Å; A605-A608 PolarHBondContact O-N 3.35Å; A605-S609 WeakPolarHBondContact O-CB 3.2Å; A605-S609 PolarHBondContact O-N 3.42Å; A605-S609 PolarHBondContact O-OG 3.33Å
606W95Very high84.9Confident124 Ų12494.5 Ų94.547%0.4751%0.51SS..Hα-helixtrans-66.7-40177.417798.4000112.8V602 F603 L604 S609 R610V602-W606 VanDerWaalsContact O-CB 3.28Å; V602-W606 WeakPolarHBondContact O-CB 3.22Å; V602-W606 PolarHBondContact O-N 2.74Å; F603-W606 HydrophobicContact CD2-CE3 4.28Å; F603-W606 HydrophobicContact CE2-CE3 4.15Å; F603-W606 HydrophobicContact CE2-CZ3 4Å; F603-W606 PolarHBondContact O-N 2.81Å; L604-W606 VanDerWaalsContact C-N 3.32Å; L604-W606 PolarHBondContact O-N 2.8Å; W606-S609 PolarHBondContact O-N 2.97Å; W606-R610 VanDerWaalsContact CZ2-NH1 3.35Å; W606-R610 WeakPolarHBondContact O-CB 3.49Å; W606-R610 WeakPolarHBondContact O-CG 3.31Å; W606-R610 PolarHBondContact O-N 2.9Å
607V93Very high83.2Confident46 Ų4697.3 Ų97.328%0.27952%0.522SS..Hα-helixtrans-62.9-49173.3169.50000110.4F603 L604 S609 R610 N611F603-V607 HydrophobicContact CD1-CG2 4.11Å; F603-V607 HydrophobicContact CE1-CG2 3.67Å; F603-V607 HydrophobicContact CE2-CG2 4.12Å; F603-V607 HydrophobicContact CZ-CG2 3.67Å; F603-V607 WeakPolarHBondContact O-CG2 3.48Å; F603-V607 PolarHBondContact O-N 2.85Å; L604-V607 PolarHBondContact O-N 2.83Å; V607-S609 VanDerWaalsContact C-N 3.26Å; V607-S609 PolarHBondContact O-N 2.91Å; V607-R610 PolarHBondContact O-N 2.86Å; V607-R610 VanDerWaalsContact O-N 3.13Å; V607-N611 PolarHBondContact O-N 2.98Å
608A92.3Very high81.6Confident48 Ų48100.2 Ų100.240%0.39755%0.546SS..Hα-helixtrans-59.4-38176.500000112.2L604 A605 R610L604-A608 WeakPolarHBondContact O-CB 3.3Å; L604-A608 PolarHBondContact O-N 3.04Å; A605-A608 PolarHBondContact O-N 3.35Å; A608-R610 VanDerWaalsContact C-N 3.35Å
609S91.4Very high79.3Confident100 Ų100110 Ų11070%0.69959%0.588SS**Hα-helixtrans-69.5-29.9177.4-56.90000113.3A605 W606 V607A605-S609 WeakPolarHBondContact O-CB 3.2Å; A605-S609 PolarHBondContact O-N 3.42Å; A605-S609 PolarHBondContact O-OG 3.33Å; W606-S609 PolarHBondContact O-N 2.97Å; V607-S609 VanDerWaalsContact C-N 3.26Å; V607-S609 PolarHBondContact O-N 2.91Å
610R88Confident78.6Confident172 Ų172112 Ų11265%0.64959%0.594SS**Hα-helixtrans-90.9-24.1179.9-78.6-170.5168.7-150.2-3.9114.2W606 V607 A608W606-R610 VanDerWaalsContact CZ2-NH1 3.35Å; W606-R610 WeakPolarHBondContact O-CB 3.49Å; W606-R610 WeakPolarHBondContact O-CG 3.31Å; W606-R610 PolarHBondContact O-N 2.9Å; V607-R610 PolarHBondContact O-N 2.86Å; V607-R610 VanDerWaalsContact O-N 3.13Å; A608-R610 VanDerWaalsContact C-N 3.35Å
611N76.5Confident77.7Confident81 Ų81108.8 Ų108.843%0.43359%0.591SS.*  trans-135.771.1-174.6-140-3.1000110.2V607 N613 S614V607-N611 PolarHBondContact O-N 2.98Å; N611-N613 PolarHBondContact O-N 3.4Å; N611-S614 WeakPolarHBondContact CB-OG 3.23Å; N611-S614 VanDerWaalsContact ND2-CB 3.34Å; N611-S614 WeakPolarHBondContact ND2-CB 3.48Å; N611-S614 PolarHBondContact ND2-OG 2.89Å; N611-S614 PolarHBondContact O-N 2.55Å
612P66.5Low76.7Confident96 Ų96110.7 Ų110.762%0.62360%0.601SS**THydrogen-bonded Turntrans-58.2-22.7-178.223.8-34.7000112.9
613N63.2Low75.7Confident156 Ų156112.7 Ų112.783%0.83461%0.609SS**THydrogen-bonded Turntrans-94.71.5177.7-62.7-26.3000114.1N611N611-N613 PolarHBondContact O-N 3.4Å
614S59.8Low74.4Confident46 Ų46112.3 Ų112.332%0.32262%0.615SS.*  trans-122.336.7-179.8100.90000114.5N611 V616N611-S614 WeakPolarHBondContact CB-OG 3.23Å; N611-S614 VanDerWaalsContact ND2-CB 3.34Å; N611-S614 WeakPolarHBondContact ND2-CB 3.48Å; N611-S614 PolarHBondContact ND2-OG 2.89Å; N611-S614 PolarHBondContact O-N 2.55Å; S614-V616 PolarHBondContact O-N 3.1Å
615V53.4Low73.1Confident121 Ų121113.7 Ų113.773%0.73362%0.624SS**  trans-74.362.6162.4-170.20000109.4
616V56.3Low71.6Confident120 Ų120117.9 Ų117.973%0.72764%0.636SS**  trans-94.6117.2169.5-179.60000107.6S614 V618S614-V616 PolarHBondContact O-N 3.1Å; V616-V618 PolarHBondContact O-N 3.34Å
617L58.6Low69.8Low147 Ų147117.4 Ų117.477%0.7765%0.648SS**  trans-63.197.9-172.7-176.178.3000112.3K619L617-K619 HydrophobicContact CD2-CB 4.12Å; L617-K619 HydrophobicContact CD2-CD 4.49Å; L617-K619 HydrophobicContact CG-CB 4.02Å; L617-K619 PolarHBondContact O-N 3.37Å
618V60Low67.9Low148 Ų148123.3 Ų123.390%0.89768%0.679SS**  trans-80.496.3159.6-176.70000107.6V616V616-V618 PolarHBondContact O-N 3.34Å
619K48.5Very low65.6Low245 Ų245130.2 Ų130.2100%1.06571%0.705SS**  trans-97.40177.4178.2170.3180174.10111.3L617L617-K619 HydrophobicContact CD2-CB 4.12Å; L617-K619 HydrophobicContact CD2-CD 4.49Å; L617-K619 HydrophobicContact CG-CB 4.02Å; L617-K619 PolarHBondContact O-N 3.37Å

Retrieved 619 of 619 residues in 113.7 ms (Link to these results)