A0A096MR04_PAPAN Loading...

Neurogenic differentiation factor

AlphaFold DB (A0A2K5KIC7), UniProt , Accession A0A096MR04, Species PAPAN (Papio anubis, Olive baboon), Gene NEUROD1, Length 356 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M39.4Very low42.9Very low234 Ų234152.3 Ų152.3100%1.15383%0.828SS**  0122.70-87.6158.8153.700107.8
2T39.9Very low42.4Very low131 Ų131146.2 Ų146.280%0.80483%0.827SS**  trans61.4130.2155.557.70000118.2
3K42.7Very low42.3Very low191 Ų191148.5 Ų148.583%0.8383%0.826SS**  cis-151.6132.115.1-60.9179.5172.9173.90107.8
4S47.9Very low43.7Very low113 Ų113144.8 Ų144.879%0.7981%0.812SS**  52.1112.584.7-58.20000116.6
5Y40.2Very low43.6Very low227 Ų227146.9 Ų146.989%0.8981%0.813SS**  -166.7135.5112.3-122.3-95.9000112.5
6S47Very low44.1Very low97 Ų97144.8 Ų144.868%0.67881%0.808SS**  trans-64166.6166-37.80000110.2
7E45.2Very low43.7Very low164 Ų164147.3 Ų147.377%0.76681%0.812SS**  173.2152.962.8-151.5-172.297.500109.3
8S42.5Very low43.8Very low100 Ų100143.2 Ų143.270%0.69981%0.809SS**  trans45.1141.6141.254.50000120.9
9G37.8Very low43.9Very low71 Ų71141.8 Ų141.873%0.73281%0.806SS**  cis162.5151.36.600000110
10L42.9Very low44.1Very low169 Ų169140.6 Ų140.689%0.88580%0.804SS**  trans69.8111.2144.8-122.791.7000122.7
11M45.9Very low43.8Very low178 Ų178138 Ų13888%0.87779%0.794SS**  63.3120.8128.8-78-97.3-175.400122.3
12G37.7Very low43.5Very low79 Ų79137.7 Ų137.781%0.81478%0.781SS**  trans-179102.415700000111.8
13E40.7Very low43.5Very low176 Ų176137.5 Ų137.582%0.82278%0.779SS**  trans-86.4179.8-178.6-140.6-156.7124.400111.8
14P61.5Low43.5Very low97 Ų97135.6 Ų135.663%0.6378%0.778SS**  -129.7-173-82.642.2-27.7000116.5
15Q43.3Very low43.4Very low177 Ų177138.1 Ų138.183%0.82778%0.777SS**  trans109.1151.5142.3-156.8172.4-1.800118.3
16P51Low43.1Very low112 Ų112133.8 Ų133.873%0.72778%0.779SS**  cis-120.1170.1-38.431.3-15.2000113.8
17Q36.6Very low43Very low188 Ų188137.1 Ų137.188%0.87979%0.788SS**  trans-75.8149.8-180-57.2-175.8-900114.3
18G45.6Very low42.4Very low73 Ų73134.7 Ų134.775%0.75379%0.789SS**  trans-140.9140.4140.700000108.5
19P47.3Very low42.2Very low118 Ų118135 Ų13577%0.76679%0.792SS**  trans-115.7144.216134.5-24.4000111.9
20P47.7Very low42.5Very low117 Ų117139.4 Ų139.476%0.7679%0.793SS**  trans-96.2155.8175.137.3-31.6000112.7
21S36.7Very low42.5Very low85 Ų85138.5 Ų138.559%0.59479%0.789SS**  trans55.9133.3137.2-152.50000117.8
22W33.5Very low42.6Very low229 Ų229139 Ų13987%0.86779%0.79SS**  -169.9148.354.7-72.380.9000105
23T40Very low42.9Very low127 Ų127142.1 Ų142.178%0.77978%0.783SS**  -171.5134.366.644.20000111.1
24D43.3Very low43Very low151 Ų151141.2 Ų141.281%0.80778%0.778SS**  trans-48.6154.6149.1-92.6-80.2000111.5
25E44.8Very low42.2Very low165 Ų165142.9 Ų142.977%0.77178%0.778SS**  cis-169.2142.535.8-125.9175.9135.400106.7
26C35.1Very low42.3Very low137 Ų137137.7 Ų137.793%0.92677%0.765SS**  trans-177.9125.9139.7-109.40000111.1
27L44.6Very low42.1Very low167 Ų167137.6 Ų137.687%0.87476%0.758SS**  trans-78.4159.5-171.5-66.1163.7000114.3
28S31.3Very low42.7Very low112 Ų112135.2 Ų135.278%0.78375%0.745SS**  trans94.4109.7154.9-160.20000118.2
29S38.3Very low42.9Very low107 Ų107138.7 Ų138.775%0.74874%0.739SS**  178.7125.4102.2-68.30000110.3
30Q45.8Very low43.1Very low163 Ų163139.5 Ų139.576%0.76273%0.733SS**  trans-116.284.8-173-178174.134.900106.2
31D43.1Very low43.2Very low150 Ų150139.7 Ų139.780%0.80273%0.727SS**  trans-153.722.5-173-86.6-45.4000114.7
32E46.3Very low43.8Very low190 Ų190140.6 Ų140.689%0.88873%0.726SS**SBendtrans-117.1-1.8-177.4-71.5-86.7144.700114.4
33E44Very low44.7Very low143 Ų143135.1 Ų135.167%0.66871%0.713SS**SBendtrans-101.73.7-173.652.9-168.2155.100115.1
34H44.4Very low45.4Very low157 Ų157135.7 Ų135.773%0.72771%0.707SS**SBendtrans-106.6-1.7-177.5-12563.6000115.7
35E44.2Very low45.9Very low133 Ų133131.1 Ų131.162%0.62169%0.69SS**SBendtrans-102.6-10.9-178.4-89.2-70.615100114
36A45.3Very low46.3Very low68 Ų68129.4 Ų129.456%0.56268%0.684SS**SBendtrans-82.9-42.217700000112.5K38 K39A36-K38 VanDerWaalsContact C-N 3.34Å; A36-K38 PolarHBondContact O-N 3.47Å; A36-K39 PolarHBondContact O-N 3.37Å
37D45.7Very low47Very low110 Ų110127.2 Ų127.259%0.58866%0.663SS**Hα-helixtrans-64.1-34.3-177.3-102.4-22.3000113.3K39 E40 D41D37-K39 VanDerWaalsContact C-N 3.28Å; D37-K39 PolarHBondContact O-N 3.4Å; D37-E40 PolarHBondContact O-N 3.44Å; D37-D41 PolarHBondContact O-N 3.12Å
38K49.4Very low47.4Very low137 Ų137122 Ų12260%0.59664%0.643SS**Hα-helixtrans-69.5-21.1-179.2-92.8179.3178170.40114.6A36A36-K38 VanDerWaalsContact C-N 3.34Å; A36-K38 PolarHBondContact O-N 3.47Å
39K49.8Very low48.3Very low146 Ų146123.8 Ų123.864%0.63564%0.639SS**Hα-helixtrans-87.1-23.7178.4-86.5176.9-179157.40113A36 D37 L43A36-K39 PolarHBondContact O-N 3.37Å; D37-K39 VanDerWaalsContact C-N 3.28Å; D37-K39 PolarHBondContact O-N 3.4Å; K39-L43 PolarHBondContact O-N 3.49Å
40E50.9Low49Very low136 Ų136125.1 Ų125.164%0.63663%0.634SS**Hα-helixtrans-77.8-40.8176.4-65.5-168.7168.200110.6D37 D42 L43 E44D37-E40 PolarHBondContact O-N 3.44Å; E40-D42 PolarHBondContact O-N 2.94Å; E40-L43 PolarHBondContact O-N 3.24Å; E40-E44 PolarHBondContact O-N 3.21Å
41D50.4Low48.9Very low120 Ų120122.3 Ų122.364%0.64262%0.624SS**Hα-helixtrans-62.8-38174.6-86.8-21.2000113.3D37 A45D37-D41 PolarHBondContact O-N 3.12Å; D41-A45 WeakPolarHBondContact O-CB 3.38Å; D41-A45 PolarHBondContact O-N 3.4Å; D41-A45 VanDerWaalsContact O-N 3.1Å
42D50.3Low49.3Very low104 Ų104119.8 Ų119.856%0.55662%0.618SS**Hα-helixtrans-71.4-28.5177.1-101.5-6.9000112.3E40 M46E40-D42 PolarHBondContact O-N 2.94Å; D42-M46 HydrophobicContact CB-CE 4.39Å; D42-M46 WeakPolarHBondContact O-CE 3.3Å; D42-M46 VanDerWaalsContact O-CG 3.25Å; D42-M46 WeakPolarHBondContact O-CG 3.13Å; D42-M46 PolarHBondContact O-N 3.3Å
43L52.8Low49.5Very low114 Ų114117 Ų11760%0.59761%0.609SS**Hα-helixtrans-79.6-35.7175.9-111.1106.9000112.5K39 E40 M46 N47K39-L43 PolarHBondContact O-N 3.49Å; E40-L43 PolarHBondContact O-N 3.24Å; L43-M46 PolarHBondContact O-N 3.48Å; L43-N47 PolarHBondContact O-N 3.16Å; L43-N47 VanDerWaalsContact O-N 3.13Å; L43-N47 PolarHBondContact O-ND2 3.29Å; L43-N47 VanDerWaalsContact O-ND2 3.17Å
44E53.3Low49.7Very low139 Ų139120 Ų12065%0.6561%0.614SS**Hα-helixtrans-64.6-42.4174.2-82.1-85.8157.800111.3E40 M46 N47 A48E40-E44 PolarHBondContact O-N 3.21Å; E44-M46 VanDerWaalsContact C-N 3.32Å; E44-M46 PolarHBondContact O-N 3.36Å; E44-N47 PolarHBondContact O-N 2.88Å; E44-A48 WeakPolarHBondContact O-CB 3.19Å; E44-A48 PolarHBondContact O-N 3.4Å
45A54.3Low49.8Very low55 Ų55119.8 Ų119.846%0.45562%0.618SS.*Hα-helixtrans-64.7-33.617700000113.3D41D41-A45 WeakPolarHBondContact O-CB 3.38Å; D41-A45 PolarHBondContact O-N 3.4Å; D41-A45 VanDerWaalsContact O-N 3.1Å
46M52.3Low49.6Very low130 Ų130116.5 Ų116.564%0.6462%0.619SS**Hα-helixtrans-77-31.5177.3-65.5-173.2-146.500112.8D42 L43 E44D42-M46 HydrophobicContact CB-CE 4.39Å; D42-M46 WeakPolarHBondContact O-CE 3.3Å; D42-M46 VanDerWaalsContact O-CG 3.25Å; D42-M46 WeakPolarHBondContact O-CG 3.13Å; D42-M46 PolarHBondContact O-N 3.3Å; L43-M46 PolarHBondContact O-N 3.48Å; E44-M46 VanDerWaalsContact C-N 3.32Å; E44-M46 PolarHBondContact O-N 3.36Å
47N49.7Very low49.3Very low91 Ų91115.6 Ų115.649%0.48762%0.617SS.*Hα-helixtrans-76.7-33175.4-79.4-42.3000112.7L43 E44 E49 E50 D51L43-N47 PolarHBondContact O-N 3.16Å; L43-N47 VanDerWaalsContact O-N 3.13Å; L43-N47 PolarHBondContact O-ND2 3.29Å; L43-N47 VanDerWaalsContact O-ND2 3.17Å; E44-N47 PolarHBondContact O-N 2.88Å; N47-E49 VanDerWaalsContact C-N 3.33Å; N47-E49 PolarHBondContact O-N 3.37Å; N47-E50 PolarHBondContact O-N 3.24Å; N47-D51 PolarHBondContact O-N 3.42Å
48A53.4Low49.5Very low56 Ų56120 Ų12046%0.46363%0.634SS.*Hα-helixtrans-66.6-32.317800000113.3E44 S52E44-A48 WeakPolarHBondContact O-CB 3.19Å; E44-A48 PolarHBondContact O-N 3.4Å; A48-S52 PolarHBondContact O-N 2.9Å; A48-S52 PolarHBondContact O-OG 3.43Å
49E50.9Low49.2Very low150 Ų150121 Ų12170%0.70164%0.641SS**Hα-helixtrans-74.4-29.6173.7-69.6-8615400112.2N47N47-E49 VanDerWaalsContact C-N 3.33Å; N47-E49 PolarHBondContact O-N 3.37Å
50E52.1Low49.2Very low136 Ų136122.2 Ų122.264%0.63665%0.649SS**Hα-helixtrans-77.1-38.2176.1-171.8170.7-177.700112.1N47 L53 R54N47-E50 PolarHBondContact O-N 3.24Å; E50-L53 PolarHBondContact O-N 2.97Å; E50-R54 PolarHBondContact O-N 3.01Å
51D44.2Very low49Very low103 Ų103120.9 Ų120.955%0.55165%0.646SS**Hα-helixtrans-73-33.7-179.4-159.735.9000112.6N47 L53 R54 N55N47-D51 PolarHBondContact O-N 3.42Å; D51-L53 PolarHBondContact O-N 3.36Å; D51-R54 PolarHBondContact O-N 3Å; D51-R54 VanDerWaalsContact O-N 3.12Å; D51-N55 PolarHBondContact O-N 3.26Å
52S52Low49.1Very low98 Ų98123.1 Ų123.169%0.68565%0.653SS**Hα-helixtrans-65.2-22.4174.6-710000113.9A48A48-S52 PolarHBondContact O-N 2.9Å; A48-S52 PolarHBondContact O-OG 3.43Å
53L49.8Very low49Very low131 Ų131122.6 Ų122.669%0.68665%0.65SS**Hα-helixtrans-92-13.3175.3-69.6172.4000113.2E50 D51E50-L53 PolarHBondContact O-N 2.97Å; D51-L53 PolarHBondContact O-N 3.36Å
54R49.2Very low48.7Very low207 Ų207124 Ų12478%0.78165%0.653SS**Hα-helixtrans-86.6-24.6-179.1-168.5170.5177.1-118-3.2112.8E50 D51 G56E50-R54 PolarHBondContact O-N 3.01Å; D51-R54 PolarHBondContact O-N 3Å; D51-R54 VanDerWaalsContact O-N 3.12Å; R54-G56 VanDerWaalsContact C-N 3.35Å
55N44.7Very low48.5Very low152 Ų152124.2 Ų124.281%0.81366%0.659SS**SBendtrans-88.82.4-178.5-156.645.4000114.2D51D51-N55 PolarHBondContact O-N 3.26Å
56G42Very low48.3Very low63 Ų63128.1 Ų128.165%0.64967%0.672SS**SBendtrans-101.678.7177.400000112.3R54R54-G56 VanDerWaalsContact C-N 3.35Å
57G38.4Very low48.1Very low50 Ų50129.6 Ų129.652%0.51568%0.677SS.*  trans74.9113.3149.300000117.6E59G57-E59 PolarHBondContact O-N 3.25Å
58E49Very low48.1Very low203 Ų203133.2 Ų133.295%0.94969%0.691SS**  trans-62.167.4139.8-63.7175.8163.800108.5
59E44.3Very low47.8Very low158 Ų158138.8 Ų138.874%0.73871%0.707SS**  trans-89.1110.1168.4-61.9-72.2158.300105.7G57 D61G57-E59 PolarHBondContact O-N 3.25Å; E59-D61 PolarHBondContact O-N 2.92Å; E59-D61 VanDerWaalsContact O-N 3.15Å
60E48.9Very low47.7Very low170 Ų170138.2 Ų138.279%0.79471%0.705SS**  trans-50.8116.4164.6-63.2178159.600107E62E60-E62 PolarHBondContact O-N 3.36Å
61D45.9Very low47.4Very low108 Ų108140.3 Ų140.358%0.57872%0.715SS**  trans-68.673176.7-67.4-54.7000108.9E59 D63 K105E59-D61 PolarHBondContact O-N 2.92Å; E59-D61 VanDerWaalsContact O-N 3.15Å; D61-D63 PolarHBondContact O-N 2.64Å; D61-D63 VanDerWaalsContact O-N 3.14Å; D61-K105 IonicContact OD1-NZ 2.67Å; D61-K105 IonicContact OD2-NZ 3.71Å; D61-K105 PolarHBondContact OD2-NZ 2.97Å
62E53.2Low47.4Very low167 Ų167141.4 Ų141.478%0.7872%0.716SS**  trans-7661.6147.7-69.9-169.4167.100107.7E60 E64E60-E62 PolarHBondContact O-N 3.36Å; E62-E64 PolarHBondContact O-N 2.61Å
63D47.6Very low47Very low93 Ų93146 Ų14650%0.49773%0.727SS.*  trans-73.883.9165.3-102.64.4000106.2D61 D65 R98D61-D63 PolarHBondContact O-N 2.64Å; D61-D63 VanDerWaalsContact O-N 3.14Å; D63-D65 PolarHBondContact O-N 3Å; D63-R98 IonicContact OD2-CZ 2.93Å; D63-R98 IonicContact OD2-NE 2.81Å; D63-R98 IonicContact OD2-NH2 3.96Å; D63-R98 PolarHBondContact OD2-NH2 3.19Å
64E47.6Very low46.6Very low143 Ų143148 Ų14867%0.66873%0.733SS**  trans-43.6131160.8-71-177.6154.700108.7E62 L66E62-E64 PolarHBondContact O-N 2.61Å; E64-L66 HydrophobicContact CB-CG 4.33Å; E64-L66 PolarHBondContact O-N 3.27Å
65D49.8Very low46.6Very low145 Ų145147.3 Ų147.378%0.77574%0.738SS**  trans-6368166.1-98.9-32.3000108.9D63 E67D63-D65 PolarHBondContact O-N 3Å; D65-E67 PolarHBondContact O-N 2.69Å
66L48.8Very low46.8Very low137 Ų137146.8 Ų146.872%0.71774%0.736SS**  trans-72.383.6160.5-67.2176.1000106.1E64 E68E64-L66 HydrophobicContact CB-CG 4.33Å; E64-L66 PolarHBondContact O-N 3.27Å; L66-E68 PolarHBondContact O-N 3.38Å
67E49Very low46.9Very low160 Ų160151.4 Ų151.475%0.74875%0.745SS**  trans-54.790.1152.5-67.1-172.9164.200106.4D65 E69D65-E67 PolarHBondContact O-N 2.69Å; E67-E69 PolarHBondContact O-N 3.1Å
68E49Very low47.5Very low167 Ų167154.4 Ų154.478%0.7875%0.749SS**  trans-60.695.1160.8-79.3178.8166.300106.4L66 E70L66-E68 PolarHBondContact O-N 3.38Å; E68-E70 PolarHBondContact O-N 3.27Å
69E47Very low47.6Very low173 Ų173152.9 Ų152.981%0.80874%0.742SS**  trans-59.486.9157.6-71.6-170.7159.800106.9E67 E71E67-E69 PolarHBondContact O-N 3.1Å; E69-E71 VanDerWaalsContact C-N 3.34Å; E69-E71 PolarHBondContact O-N 3Å
70E49.8Very low48Very low138 Ų138154.6 Ų154.665%0.64575%0.748SS**  trans-65.599.9163.2-75.8-174.4173.200107E68 E72E68-E70 PolarHBondContact O-N 3.27Å; E70-E72 PolarHBondContact O-N 3.49Å
71E44.8Very low48.1Very low181 Ų181152.3 Ų152.385%0.84675%0.747SS**  trans-53.4107.1161.5-71.6-175.4161.300107.8E69 E73E69-E71 VanDerWaalsContact C-N 3.34Å; E69-E71 PolarHBondContact O-N 3Å; E71-E73 PolarHBondContact O-N 3.26Å; E71-E73 VanDerWaalsContact O-N 3.12Å
72E45Very low48.7Very low126 Ų126156.5 Ų156.559%0.58976%0.761SS**  trans-68.3105.8167-69.1-170.3178.700107E70 E74 K89E70-E72 PolarHBondContact O-N 3.49Å; E72-E74 VanDerWaalsContact C-N 3.34Å; E72-E74 PolarHBondContact O-N 2.93Å; E72-K89 WeakPolarHBondContact OE1-CE 3.35Å; E72-K89 IonicContact OE1-NZ 3.92Å; E72-K89 PolarHBondContact OE1-NZ 2.96Å
73E43.1Very low48.9Very low193 Ų193160 Ų16090%0.90277%0.766SS**  trans-59.6100.7161.3-71.5-167171.800107.6E71 E75E71-E73 PolarHBondContact O-N 3.26Å; E71-E73 VanDerWaalsContact O-N 3.12Å; E73-E75 PolarHBondContact O-N 2.92Å
74E42.3Very low49.5Very low174 Ų174167.9 Ų167.981%0.81379%0.789SS**  trans-69.894.5170.1-70.1-138.8171.300108.6E72 D76E72-E74 VanDerWaalsContact C-N 3.34Å; E72-E74 PolarHBondContact O-N 2.93Å; E74-D76 PolarHBondContact O-N 3.2Å
75E48.8Very low50.7Low193 Ų193163.4 Ų163.490%0.90278%0.781SS**  trans-72.9107.5160.7-134-179.9-170.200108.1E73 D77E73-E75 PolarHBondContact O-N 2.92Å; E75-D77 PolarHBondContact O-N 2.92Å
76D49.1Very low51.5Low141 Ų141163 Ų16375%0.75479%0.787SS**  trans-49.8110.7173.8-173.739.9000111.6E74E74-D76 PolarHBondContact O-N 3.2Å
77D42.9Very low52.2Low159 Ų159166 Ų16685%0.8579%0.794SS**  trans-140.9122.3153.4-166.931.4000110.7E75E75-D77 PolarHBondContact O-N 2.92Å
78D51.3Low53.1Low113 Ų113168 Ų16860%0.60480%0.8SS**  trans-78.3147.6-163-122.3-47.1000112.5
79Q51.4Low54.4Low171 Ų171168 Ų16880%0.79980%0.797SS**  trans74.687157.2-57.3170.751.200120.5
80K52.1Low55.9Low195 Ų195169 Ų16985%0.84880%0.8SS**  trans-155.4140137.7-120.9178.2178.9174.50112.3K82K80-K82 PolarHBondContact O-N 3.29Å
81P51Low57.4Low122 Ų122166.8 Ų166.879%0.79279%0.79SS**  trans-65.6121.3-172.224.5-32000111.8R83P81-R83 PolarHBondContact O-N 3.1Å; P81-R83 VanDerWaalsContact O-N 3.09Å
82K58.5Low59.7Low196 Ų196161.8 Ų161.885%0.85277%0.772SS**  trans-64.2103.7179.5-64.3179.2-179.9-179.50109.7K80 R84K80-K82 PolarHBondContact O-N 3.29Å; K82-R84 PolarHBondContact O-N 3.44Å
83R58.5Low61.9Low240 Ų240163.7 Ų163.791%0.90678%0.778SS**  trans-61.3114.7168.2-70.5177.869.4-176.41.8108.7P81 G85P81-R83 PolarHBondContact O-N 3.1Å; P81-R83 VanDerWaalsContact O-N 3.09Å; R83-G85 PolarHBondContact O-N 3.37Å; R83-G85 VanDerWaalsContact O-N 3.13Å
84R60.1Low64.2Low258 Ų258158 Ų15897%0.97477%0.765SS**  trans-68.8101.8176.6-66.2-179.2174.3-171.4-2.7109.8K82K82-R84 PolarHBondContact O-N 3.44Å
85G71.6Confident66.6Low49 Ų49158 Ų15851%0.50576%0.757SS.*SBendtrans-158.9145.3166.300000108R83 K87R83-G85 PolarHBondContact O-N 3.37Å; R83-G85 VanDerWaalsContact O-N 3.13Å; G85-K87 PolarHBondContact O-N 3.35Å
86P67.9Low68.7Low136 Ų136152.1 Ų152.188%0.88373%0.731SS**  trans-58.2103178.8-21.632.1000109.8K88P86-K88 PolarHBondContact O-N 2.89Å; P86-K88 VanDerWaalsContact O-N 3.14Å
87K63.9Low70.9Confident200 Ų200149.6 Ų149.687%0.8772%0.715SS**  trans-65.6113.9171.5-86.6-176.8174.2-179.40106.3G85 K89G85-K87 PolarHBondContact O-N 3.35Å; K87-K89 VanDerWaalsContact C-N 3.29Å; K87-K89 PolarHBondContact O-N 3.49Å
88K66.5Low73.3Confident202 Ų202146.9 Ų146.988%0.87869%0.693SS**  trans-6394.5166.8-67.1-176.9179.4-178.80107.2P86 K90P86-K88 PolarHBondContact O-N 2.89Å; P86-K88 VanDerWaalsContact O-N 3.14Å; K88-K90 PolarHBondContact O-N 3.19Å
89K75.8Confident75.4Confident167 Ų167147.2 Ų147.273%0.72669%0.689SS**PPolyproline II helixtrans-59.1119.9173.9-152.7175.9-175.3-178.50106.2E72 K87 M91E72-K89 WeakPolarHBondContact OE1-CE 3.35Å; E72-K89 IonicContact OE1-NZ 3.92Å; E72-K89 PolarHBondContact OE1-NZ 2.96Å; K87-K89 VanDerWaalsContact C-N 3.29Å; K87-K89 PolarHBondContact O-N 3.49Å; K89-M91 PolarHBondContact O-N 3.26Å
90K78.7Confident77.6Confident196 Ų196143.1 Ų143.185%0.85267%0.669SS**PPolyproline II helixtrans-65.5133.9178.1-64.8-180-178.4178.20107.1K88K88-K90 PolarHBondContact O-N 3.19Å
91M82.7Confident79.7Confident90 Ų90138.9 Ų138.944%0.44366%0.655SS.*PPolyproline II helixtrans-64.7138.2176.7-67.4-152-56.400110.3K89 R95 L96K89-M91 PolarHBondContact O-N 3.26Å; M91-R95 HydrophobicContact SD-CG 3.88Å; M91-L96 HydrophobicContact CE-CD1 3.96Å
92T91.9Very high82Confident76 Ų76139.4 Ų139.447%0.46664%0.641SS.*PPolyproline II helixtrans-58.6150.8171.2-46.30000110.6A94 R95 L96T92-A94 VanDerWaalsContact C-N 3.3Å; T92-A94 PolarHBondContact O-N 2.71Å; T92-R95 PolarHBondContact O-N 2.93Å; T92-L96 PolarHBondContact O-N 2.85Å
93K91.1Very high83.9Confident167 Ų167137 Ų13773%0.72663%0.626SS**Hα-helixtrans-54.8-44.7178.7-174-178.3175.2-174.40111.9R95 L96 E97K93-R95 PolarHBondContact O-N 3.14Å; K93-L96 WeakPolarHBondContact O-CB 3.44Å; K93-L96 PolarHBondContact O-N 2.81Å; K93-E97 PolarHBondContact O-N 3.06Å
94A91.7Very high85.7Confident74 Ų74130.3 Ų130.361%0.61261%0.607SS**Hα-helixtrans-58.3-46.8177.200000112.4T92 L96 E97 R98T92-A94 VanDerWaalsContact C-N 3.3Å; T92-A94 PolarHBondContact O-N 2.71Å; A94-L96 VanDerWaalsContact C-N 3.3Å; A94-L96 PolarHBondContact O-N 2.92Å; A94-E97 PolarHBondContact O-N 3.44Å; A94-R98 PolarHBondContact O-N 3.25Å
95R92.1Very high87.6Confident172 Ų172122.3 Ų122.365%0.64958%0.579SS**Hα-helixtrans-61.6-37.9176.6-171.2175.8179.8173.63.9112.4M91 T92 K93 F99M91-R95 HydrophobicContact SD-CG 3.88Å; T92-R95 PolarHBondContact O-N 2.93Å; K93-R95 PolarHBondContact O-N 3.14Å; R95-F99 WeakPolarHBondContact O-CB 3.35Å; R95-F99 PolarHBondContact O-N 3.47Å
96L93.5Very high88.8Confident71 Ų71122 Ų12237%0.37257%0.571SS.*Hα-helixtrans-66.3-41.3176-175.464.6000111.8M91 T92 K93 A94 F99 K100M91-L96 HydrophobicContact CE-CD1 3.96Å; T92-L96 PolarHBondContact O-N 2.85Å; K93-L96 WeakPolarHBondContact O-CB 3.44Å; K93-L96 PolarHBondContact O-N 2.81Å; A94-L96 VanDerWaalsContact C-N 3.3Å; A94-L96 PolarHBondContact O-N 2.92Å; L96-F99 PolarHBondContact O-N 3.21Å; L96-K100 WeakPolarHBondContact O-CG 3.33Å; L96-K100 PolarHBondContact O-N 2.92Å
97E94.8Very high90.3Very high87 Ų87119.1 Ų119.141%0.40755%0.549SS..Hα-helixtrans-65.8-43.8176.1-65.5-50139.100111.9K93 A94 F99 K100 L101K93-E97 PolarHBondContact O-N 3.06Å; A94-E97 PolarHBondContact O-N 3.44Å; E97-F99 VanDerWaalsContact C-N 3.29Å; E97-F99 PolarHBondContact O-N 3.26Å; E97-K100 WeakPolarHBondContact O-CB 3.3Å; E97-K100 PolarHBondContact O-N 3.44Å; E97-K100 VanDerWaalsContact O-N 3.11Å; E97-K100 IonicContact OE1-NZ 3.79Å; E97-K100 PolarHBondContact OE1-NZ 3.2Å; E97-K100 WeakPolarHBondContact OE2-CD 3.36Å; E97-K100 IonicContact OE2-NZ 2.61Å; E97-L101 PolarHBondContact O-N 3.06Å
98R95.1Very high91.9Very high102 Ų102111.4 Ų111.439%0.38552%0.522SS..Hα-helixtrans-57.9-41.8173.7-168179.2-171.2-154.77.4111.7D63 A94 L101 R102D63-R98 IonicContact OD2-CZ 2.93Å; D63-R98 IonicContact OD2-NE 2.81Å; D63-R98 IonicContact OD2-NH2 3.96Å; D63-R98 PolarHBondContact OD2-NH2 3.19Å; A94-R98 PolarHBondContact O-N 3.25Å; R98-L101 PolarHBondContact O-N 3.33Å; R98-R102 WeakPolarHBondContact O-CG 3.49Å; R98-R102 PolarHBondContact O-N 3.4Å
99F95.4Very high93.5Very high120 Ų120108.4 Ų108.453%0.52651%0.505SS..Hα-helixtrans-63-44.7175.2177.3-96.1000112.3R95 L96 E97 L101 R102 R103R95-F99 WeakPolarHBondContact O-CB 3.35Å; R95-F99 PolarHBondContact O-N 3.47Å; L96-F99 PolarHBondContact O-N 3.21Å; E97-F99 VanDerWaalsContact C-N 3.29Å; E97-F99 PolarHBondContact O-N 3.26Å; F99-L101 PolarHBondContact O-N 2.98Å; F99-R102 PolarHBondContact O-N 3.41Å; F99-R103 WeakPolarHBondContact O-CB 3.3Å; F99-R103 PolarHBondContact O-N 2.93Å
100K96.6Very high94.5Very high85 Ų85104.6 Ų104.637%0.3749%0.49SS..Hα-helixtrans-60.9-44176.5-73.7170.6-179173.10111.5L96 E97 R103 M104L96-K100 WeakPolarHBondContact O-CG 3.33Å; L96-K100 PolarHBondContact O-N 2.92Å; E97-K100 WeakPolarHBondContact O-CB 3.3Å; E97-K100 PolarHBondContact O-N 3.44Å; E97-K100 VanDerWaalsContact O-N 3.11Å; E97-K100 IonicContact OE1-NZ 3.79Å; E97-K100 PolarHBondContact OE1-NZ 3.2Å; E97-K100 WeakPolarHBondContact OE2-CD 3.36Å; E97-K100 IonicContact OE2-NZ 2.61Å; K100-R103 PolarHBondContact O-N 2.99Å; K100-M104 WeakPolarHBondContact O-CB 3.47Å; K100-M104 PolarHBondContact O-N 3.46Å
101L96.9Very high95.5Very high106 Ų106102.5 Ų102.556%0.55548%0.477SS*.Hα-helixtrans-61.1-48.9178.6-179.359.3000111.5E97 R98 F99 R103 M104 K105E97-L101 PolarHBondContact O-N 3.06Å; R98-L101 PolarHBondContact O-N 3.33Å; F99-L101 PolarHBondContact O-N 2.98Å; L101-R103 VanDerWaalsContact C-N 3.3Å; L101-R103 PolarHBondContact O-N 3.44Å; L101-M104 HydrophobicContact CD1-CE 3.8Å; L101-M104 WeakPolarHBondContact O-CB 3.36Å; L101-M104 PolarHBondContact O-N 3.35Å; L101-M104 VanDerWaalsContact O-N 3.12Å; L101-K105 PolarHBondContact O-N 3.4Å
102R97.9Very high96.2Very high133 Ų133103.8 Ų103.850%0.50249%0.486SS..Hα-helixtrans-57.9-42.7175.7-73.2174.2172.3-160.9-8.9112R98 F99 K105 A106R98-R102 WeakPolarHBondContact O-CG 3.49Å; R98-R102 PolarHBondContact O-N 3.4Å; F99-R102 PolarHBondContact O-N 3.41Å; R102-K105 PolarHBondContact O-N 3.45Å; R102-A106 WeakPolarHBondContact O-CB 3.36Å; R102-A106 PolarHBondContact O-N 3.45Å
103R98.3Very high96.6Very high145 Ų145107.4 Ų107.455%0.54749%0.491SS..Hα-helixtrans-64.7-40.5176.4-170176.268.9127.81.7111.8F99 K100 L101 A106 N107F99-R103 WeakPolarHBondContact O-CB 3.3Å; F99-R103 PolarHBondContact O-N 2.93Å; K100-R103 PolarHBondContact O-N 2.99Å; L101-R103 VanDerWaalsContact C-N 3.3Å; L101-R103 PolarHBondContact O-N 3.44Å; R103-A106 PolarHBondContact O-N 3.46Å; R103-N107 WeakPolarHBondContact O-CB 3.38Å; R103-N107 PolarHBondContact O-N 2.94Å; R103-N107 PolarHBondContact O-ND2 3.39Å
104M98Very high96.9Very high100 Ų100102.2 Ų102.249%0.49347%0.47SS..Hα-helixtrans-63.4-47.2176.2-173.2177.476.900111.5K100 L101 A106 N107 A108K100-M104 WeakPolarHBondContact O-CB 3.47Å; K100-M104 PolarHBondContact O-N 3.46Å; L101-M104 HydrophobicContact CD1-CE 3.8Å; L101-M104 WeakPolarHBondContact O-CB 3.36Å; L101-M104 PolarHBondContact O-N 3.35Å; L101-M104 VanDerWaalsContact O-N 3.12Å; M104-A106 VanDerWaalsContact C-N 3.32Å; M104-A106 PolarHBondContact O-N 3.35Å; M104-N107 PolarHBondContact O-N 3.18Å; M104-A108 PolarHBondContact O-N 3.22Å
105K98.3Very high97.3Very high90 Ų90104.4 Ų104.439%0.39147%0.467SS..Hα-helixtrans-58.8-42.5175.3-165.3176.9-173.7167.70111.4D61 L101 R102 A108 R109D61-K105 IonicContact OD1-NZ 2.67Å; D61-K105 IonicContact OD2-NZ 3.71Å; D61-K105 PolarHBondContact OD2-NZ 2.97Å; L101-K105 PolarHBondContact O-N 3.4Å; R102-K105 PolarHBondContact O-N 3.45Å; K105-A108 PolarHBondContact O-N 2.89Å; K105-R109 WeakPolarHBondContact O-CG 3.48Å; K105-R109 PolarHBondContact O-N 3.17Å; K105-R109 VanDerWaalsContact O-N 3.11Å; K105-R109 PolarHBondContact O-NE 3.46Å
106A98.3Very high97.6Very high42 Ų4298.3 Ų98.335%0.34746%0.458SS..Hα-helixtrans-63.2-44.3174.900000112.8R102 R103 M104 A108 R109 E110R102-A106 WeakPolarHBondContact O-CB 3.36Å; R102-A106 PolarHBondContact O-N 3.45Å; R103-A106 PolarHBondContact O-N 3.46Å; M104-A106 VanDerWaalsContact C-N 3.32Å; M104-A106 PolarHBondContact O-N 3.35Å; A106-A108 PolarHBondContact O-N 2.99Å; A106-R109 PolarHBondContact O-N 3.49Å; A106-E110 PolarHBondContact O-N 3.34Å
107N98.6Very high97.8Very high76 Ų7699.5 Ų99.541%0.40646%0.464SS..Hα-helixtrans-63.4-40.9177.2-72.3-13.7000112.1R103 M104 E110 R111R103-N107 WeakPolarHBondContact O-CB 3.38Å; R103-N107 PolarHBondContact O-N 2.94Å; R103-N107 PolarHBondContact O-ND2 3.39Å; M104-N107 PolarHBondContact O-N 3.18Å; N107-E110 PolarHBondContact O-N 2.97Å; N107-R111 WeakPolarHBondContact O-CG 3.3Å; N107-R111 PolarHBondContact O-N 3.46Å
108A98.4Very high98Very high38 Ų3898 Ų9831%0.31446%0.459SS..Hα-helixtrans-60.6-44.7175.900000111.4M104 K105 A106 E110 R111 N112M104-A108 PolarHBondContact O-N 3.22Å; K105-A108 PolarHBondContact O-N 2.89Å; A106-A108 PolarHBondContact O-N 2.99Å; A108-E110 PolarHBondContact O-N 3.31Å; A108-R111 PolarHBondContact O-N 3.38Å; A108-N112 PolarHBondContact O-N 3.42Å
109R98.7Very high98.1Very high139 Ų13995.6 Ų95.653%0.52546%0.461SS..Hα-helixtrans-59.4-44.3175.1-72.3-178.1-70.5-127.70.4112.5K105 A106 N112 R113K105-R109 WeakPolarHBondContact O-CG 3.48Å; K105-R109 PolarHBondContact O-N 3.17Å; K105-R109 VanDerWaalsContact O-N 3.11Å; K105-R109 PolarHBondContact O-NE 3.46Å; A106-R109 PolarHBondContact O-N 3.49Å; R109-N112 PolarHBondContact O-N 3.03Å; R109-R113 PolarHBondContact O-N 3.28Å
110E98.6Very high98.3Very high87 Ų8792.6 Ų92.641%0.40746%0.458SS..Hα-helixtrans-67.5-37.2178.9-178.755.7-16200112.2A106 N107 A108 N112 R113 M114A106-E110 PolarHBondContact O-N 3.34Å; N107-E110 PolarHBondContact O-N 2.97Å; A108-E110 PolarHBondContact O-N 3.31Å; E110-N112 PolarHBondContact O-N 2.9Å; E110-R113 PolarHBondContact O-N 3.35Å; E110-R113 IonicContact OE1-NH1 2.6Å; E110-R113 PolarHBondContact OE1-NH1 3.29Å; E110-R113 WeakPolarHBondContact OE2-CD 3.21Å; E110-R113 IonicContact OE2-NH1 3.56Å; E110-R113 PolarHBondContact OE2-NH1 3.49Å; E110-M114 HydrophobicContact CG-CG 4.49Å; E110-M114 WeakPolarHBondContact O-CB 3.41Å; E110-M114 VanDerWaalsContact O-CG 3.31Å; E110-M114 WeakPolarHBondContact O-CG 3.36Å; E110-M114 PolarHBondContact O-N 3.26Å; E110-M114 WeakPolarHBondContact OE1-CG 3.29Å
111R98.6Very high98.3Very high153 Ų15389.5 Ų89.558%0.57745%0.446SS*.Hα-helixtrans-59.1-47.8171.5-70.6-176.1-152.4137.6-1.3111.1N107 A108 R113 M114 H115N107-R111 WeakPolarHBondContact O-CG 3.3Å; N107-R111 PolarHBondContact O-N 3.46Å; A108-R111 PolarHBondContact O-N 3.38Å; R111-R113 VanDerWaalsContact C-N 3.34Å; R111-R113 PolarHBondContact O-N 3.22Å; R111-M114 CarbonylContact O-C 3.55Å; R111-M114 PolarHBondContact O-N 2.91Å; R111-M114 VanDerWaalsContact O-N 3.09Å; R111-H115 PolarHBondContact O-CD2 2.98Å; R111-H115 PolarHBondContact O-N 3.35Å
112N98.5Very high98.3Very high116 Ų11686.6 Ų86.662%0.6243%0.431SS*.Hα-helixtrans-60.4-43.6178.9-71.71.3000112A108 R109 E110 M114 H115 G116A108-N112 PolarHBondContact O-N 3.42Å; R109-N112 PolarHBondContact O-N 3.03Å; E110-N112 PolarHBondContact O-N 2.9Å; N112-M114 VanDerWaalsContact C-N 3.32Å; N112-M114 PolarHBondContact O-N 3.48Å; N112-H115 PolarHBondContact O-N 2.87Å; N112-G116 PolarHBondContact O-N 2.88Å
113R98.7Very high98.3Very high152 Ų15284.4 Ų84.457%0.57443%0.429SS*.Hα-helixtrans-58.3-44.5173.1-178.9179.6161-81.2-7.3111.6R109 E110 R111 G116 L117R109-R113 PolarHBondContact O-N 3.28Å; E110-R113 PolarHBondContact O-N 3.35Å; E110-R113 IonicContact OE1-NH1 2.6Å; E110-R113 PolarHBondContact OE1-NH1 3.29Å; E110-R113 WeakPolarHBondContact OE2-CD 3.21Å; E110-R113 IonicContact OE2-NH1 3.56Å; E110-R113 PolarHBondContact OE2-NH1 3.49Å; R111-R113 VanDerWaalsContact C-N 3.34Å; R111-R113 PolarHBondContact O-N 3.22Å; R113-G116 PolarHBondContact O-N 2.91Å; R113-L117 PolarHBondContact O-N 3.34Å
114M98.7Very high98.3Very high58 Ų5880 Ų8029%0.28642%0.416SS..Hα-helixtrans-67.9-34.8178.1-73.2-56.4-57.700113.1E110 R111 N112 L117 N118E110-M114 HydrophobicContact CG-CG 4.49Å; E110-M114 WeakPolarHBondContact O-CB 3.41Å; E110-M114 VanDerWaalsContact O-CG 3.31Å; E110-M114 WeakPolarHBondContact O-CG 3.36Å; E110-M114 PolarHBondContact O-N 3.26Å; E110-M114 WeakPolarHBondContact OE1-CG 3.29Å; R111-M114 CarbonylContact O-C 3.55Å; R111-M114 PolarHBondContact O-N 2.91Å; R111-M114 VanDerWaalsContact O-N 3.09Å; N112-M114 VanDerWaalsContact C-N 3.32Å; N112-M114 PolarHBondContact O-N 3.48Å; M114-L117 HydrophobicContact CE-CD2 4.07Å; M114-L117 PolarHBondContact O-N 3.31Å; M114-L117 HydrophobicContact SD-CD2 4.16Å; M114-N118 WeakPolarHBondContact O-CB 3.46Å; M114-N118 VanDerWaalsContact O-CG 3.3Å; M114-N118 PolarHBondContact O-N 3.35Å; M114-N118 PolarHBondContact O-ND2 3.14Å
115H98.5Very high98.3Very high121 Ų12176.8 Ų76.856%0.5640%0.398SS*.Hα-helixtrans-61.3-45.3171.5-72.3-60.6000111.1R111 N112 L117 N118 A119R111-H115 PolarHBondContact O-CD2 2.98Å; R111-H115 PolarHBondContact O-N 3.35Å; N112-H115 PolarHBondContact O-N 2.87Å; H115-L117 PolarHBondContact O-N 2.88Å; H115-N118 PolarHBondContact O-N 3.34Å; H115-A119 WeakPolarHBondContact O-CB 3.43Å; H115-A119 PolarHBondContact O-N 3.11Å
116G98.4Very high98.2Very high44 Ų4477.9 Ų77.945%0.45440%0.403SS..Hα-helixtrans-58.6-44.7174.400000112.9N112 R113 A119 A120N112-G116 PolarHBondContact O-N 2.88Å; R113-G116 PolarHBondContact O-N 2.91Å; G116-A119 PolarHBondContact O-N 3.35Å; G116-A120 PolarHBondContact O-N 2.96Å
117L98.4Very high98.1Very high95 Ų9580.7 Ų80.750%0.49742%0.416SS..Hα-helixtrans-63.5-43.7177-17962.8000112.4R113 M114 H115 A119 A120 L121R113-L117 PolarHBondContact O-N 3.34Å; M114-L117 HydrophobicContact CE-CD2 4.07Å; M114-L117 PolarHBondContact O-N 3.31Å; M114-L117 HydrophobicContact SD-CD2 4.16Å; H115-L117 PolarHBondContact O-N 2.88Å; L117-A119 VanDerWaalsContact C-N 3.33Å; L117-A120 PolarHBondContact O-N 2.67Å; L117-L121 PolarHBondContact O-N 3.34Å
118N98.3Very high97.9Very high56 Ų5677.5 Ų77.530%0.29940%0.399SS..Hα-helixtrans-67-36.3178.7-71.1-34.9000111.5M114 H115 L121 D122 K139M114-N118 WeakPolarHBondContact O-CB 3.46Å; M114-N118 VanDerWaalsContact O-CG 3.3Å; M114-N118 PolarHBondContact O-N 3.35Å; M114-N118 PolarHBondContact O-ND2 3.14Å; H115-N118 PolarHBondContact O-N 3.34Å; N118-L121 PolarHBondContact O-N 2.93Å; N118-D122 PolarHBondContact O-N 3.41Å; N118-K139 PolarHBondContact OD1-NZ 2.85Å
119A98.3Very high97.6Very high51 Ų5177 Ų7742%0.42139%0.392SS..Hα-helixtrans-63.5-43.4173.700000111.7H115 G116 L117 L121 D122 N123H115-A119 WeakPolarHBondContact O-CB 3.43Å; H115-A119 PolarHBondContact O-N 3.11Å; G116-A119 PolarHBondContact O-N 3.35Å; L117-A119 VanDerWaalsContact C-N 3.33Å; A119-L121 PolarHBondContact O-N 3.49Å; A119-D122 PolarHBondContact O-N 3.45Å; A119-N123 PolarHBondContact O-N 3.28Å; A119-N123 PolarHBondContact O-ND2 3.06Å
120A98.6Very high96.9Very high57 Ų5771.2 Ų71.247%0.47137%0.373SS..Hα-helixtrans-61.7-42.4174.400000112G116 L117 D122 N123 L124G116-A120 PolarHBondContact O-N 2.96Å; L117-A120 PolarHBondContact O-N 2.67Å; A120-D122 PolarHBondContact O-N 3.1Å; A120-N123 PolarHBondContact O-N 2.96Å; A120-L124 PolarHBondContact O-N 3.33Å
121L98.4Very high96.4Very high21 Ų2171.8 Ų71.811%0.1137%0.372CS..Hα-helixtrans-63.9-39.5175.4-175.769.1000112.1L117 N118 A119 N123 L124 R125 K139 T142L117-L121 PolarHBondContact O-N 3.34Å; N118-L121 PolarHBondContact O-N 2.93Å; A119-L121 PolarHBondContact O-N 3.49Å; L121-N123 VanDerWaalsContact C-N 3.34Å; L121-L124 HydrophobicContact CD1-CD2 4.38Å; L121-L124 WeakPolarHBondContact O-CB 3.19Å; L121-L124 PolarHBondContact O-N 3.24Å; L121-R125 WeakPolarHBondContact O-CG 3.22Å; L121-R125 PolarHBondContact O-N 2.89Å; L121-K139 HydrophobicContact CD2-CB 4.05Å; L121-K139 HydrophobicContact CD2-CD 4.08Å; L121-K139 HydrophobicContact CD2-CG 3.6Å; L121-T142 HydrophobicContact CD1-CG2 3.93Å
122D97Very high95.8Very high45 Ų4565.9 Ų65.924%0.24135%0.354CS..Hα-helixtrans-65.5-36.2174.6-86.7-19.3000112.3N118 A119 A120 R125 K126 K136N118-D122 PolarHBondContact O-N 3.41Å; A119-D122 PolarHBondContact O-N 3.45Å; A120-D122 PolarHBondContact O-N 3.1Å; D122-R125 WeakPolarHBondContact O-CB 3.34Å; D122-R125 PolarHBondContact O-N 2.74Å; D122-R125 IonicContact OD1-CZ 3.59Å; D122-R125 IonicContact OD1-NH1 2.74Å; D122-R125 PolarHBondContact OD1-NH1 3.39Å; D122-K126 WeakPolarHBondContact O-CG 3.49Å; D122-K126 PolarHBondContact O-N 3.15Å; D122-K136 VanDerWaalsContact CG-NZ 3.32Å; D122-K136 IonicContact OD1-NZ 3.11Å; D122-K136 PolarHBondContact OD1-NZ 3.04Å; D122-K136 VanDerWaalsContact OD1-NZ 3.11Å; D122-K136 IonicContact OD2-NZ 2.85Å; D122-K136 PolarHBondContact OD2-NZ 3.27Å
123N97.7Very high95.1Very high87 Ų8768.8 Ų68.847%0.46536%0.361SS..Hα-helixtrans-66.2-39171.5-72.6-29.2000111.9A119 A120 L121 R125 K126A119-N123 PolarHBondContact O-N 3.28Å; A119-N123 PolarHBondContact O-ND2 3.06Å; A120-N123 PolarHBondContact O-N 2.96Å; L121-N123 VanDerWaalsContact C-N 3.34Å; N123-R125 VanDerWaalsContact C-N 3.33Å; N123-R125 PolarHBondContact O-N 3.5Å; N123-K126 WeakPolarHBondContact O-CB 3.43Å; N123-K126 PolarHBondContact O-N 2.97Å; N123-K126 PolarHBondContact OD1-NZ 3.24Å
124L98.3Very high94.6Very high53 Ų5368.1 Ų68.128%0.27737%0.374SS..Hα-helixtrans-59.9-42.7172.4-179.862000111.5A120 L121 K126 V127 V128 T142 L143 A146A120-L124 PolarHBondContact O-N 3.33Å; L121-L124 HydrophobicContact CD1-CD2 4.38Å; L121-L124 WeakPolarHBondContact O-CB 3.19Å; L121-L124 PolarHBondContact O-N 3.24Å; L124-K126 PolarHBondContact O-N 2.92Å; L124-V127 HydrophobicContact CD1-CG2 4.1Å; L124-V127 WeakPolarHBondContact O-CG2 3.4Å; L124-V127 PolarHBondContact O-N 2.87Å; L124-V127 VanDerWaalsContact O-N 3.14Å; L124-V128 HydrophobicContact CD1-CG2 3.97Å; L124-V128 HydrophobicContact CG-CG2 4.11Å; L124-V128 VanDerWaalsContact O-CG2 3.29Å; L124-V128 WeakPolarHBondContact O-CG2 3.49Å; L124-V128 PolarHBondContact O-N 3.15Å; L124-T142 HydrophobicContact CD2-CG2 4.07Å; L124-T142 HydrophobicContact CG-CG2 4.15Å; L124-L143 HydrophobicContact CD2-CD2 4.16Å; L124-A146 HydrophobicContact CD1-CB 4.07Å; L124-A146 HydrophobicContact CD2-CB 4.12Å; L124-A146 HydrophobicContact CG-CB 4.37Å
125R97.1Very high94.1Very high32 Ų3271.1 Ų71.112%0.12139%0.388CS..Hα-helixtrans-56.6-34177.4-72.6178.2178.9111.20.6112.9L121 D122 N123 V127 Y131 L137 T142L121-R125 WeakPolarHBondContact O-CG 3.22Å; L121-R125 PolarHBondContact O-N 2.89Å; D122-R125 WeakPolarHBondContact O-CB 3.34Å; D122-R125 PolarHBondContact O-N 2.74Å; D122-R125 IonicContact OD1-CZ 3.59Å; D122-R125 IonicContact OD1-NH1 2.74Å; D122-R125 PolarHBondContact OD1-NH1 3.39Å; N123-R125 VanDerWaalsContact C-N 3.33Å; N123-R125 PolarHBondContact O-N 3.5Å; R125-V127 VanDerWaalsContact C-N 3.31Å; R125-V127 PolarHBondContact O-N 3.43Å; R125-Y131 HydrophobicContact CB-CD2 4.11Å; R125-Y131 HydrophobicContact CB-CE2 4.29Å; R125-Y131 WeakPolarHBondContact O-CB 3.46Å; R125-Y131 WeakPolarHBondContact O-CD2 3.5Å; R125-L137 PolarHBondContact NE-O 3.29Å; R125-L137 PolarHBondContact NH2-O 3.05Å; R125-T142 HydrophobicContact CG-CG2 3.59Å; R125-T142 PolarHBondContact NE-OG1 3.5Å
126K95.8Very high93.9Very high113 Ų11370.8 Ų70.849%0.49139%0.385SS..Hα-helixtrans-68.8-28-178.9-65.2170-171.1166.60113.4D122 N123 L124 Y131D122-K126 WeakPolarHBondContact O-CG 3.49Å; D122-K126 PolarHBondContact O-N 3.15Å; N123-K126 WeakPolarHBondContact O-CB 3.43Å; N123-K126 PolarHBondContact O-N 2.97Å; N123-K126 PolarHBondContact OD1-NZ 3.24Å; L124-K126 PolarHBondContact O-N 2.92Å; K126-Y131 HydrophobicContact CG-CD2 4.4Å; K126-Y131 HydrophobicContact CG-CE1 4.33Å; K126-Y131 HydrophobicContact CG-CE2 3.94Å
127V95.7Very high93.7Very high101 Ų10170 Ų7061%0.61237%0.37SS*.Hα-helixtrans-101-10.2-175.9-59.70000113.3L124 R125L124-V127 HydrophobicContact CD1-CG2 4.1Å; L124-V127 WeakPolarHBondContact O-CG2 3.4Å; L124-V127 PolarHBondContact O-N 2.87Å; L124-V127 VanDerWaalsContact O-N 3.14Å; R125-V127 VanDerWaalsContact C-N 3.31Å; R125-V127 PolarHBondContact O-N 3.43Å
128V94.9Very high93.7Very high9 Ų968.2 Ų68.26%0.05537%0.365CS..SBendtrans-82146.5174.1172.80000109.3L124 L145 A146L124-V128 HydrophobicContact CD1-CG2 3.97Å; L124-V128 HydrophobicContact CG-CG2 4.11Å; L124-V128 VanDerWaalsContact O-CG2 3.29Å; L124-V128 WeakPolarHBondContact O-CG2 3.49Å; L124-V128 PolarHBondContact O-N 3.15Å; V128-L145 HydrophobicContact CG1-CB 3.91Å; V128-L145 HydrophobicContact CG1-CD2 3.35Å; V128-L145 HydrophobicContact CG1-CG 3.36Å; V128-A146 HydrophobicContact CG2-CB 3.76Å
129P91.5Very high93.6Very high26 Ų2670.6 Ų70.617%0.16937%0.373CS..THydrogen-bonded Turntrans-55.2151.1178-26.435.7000111.9Y131 Y149 L172P129-Y131 VanDerWaalsContact C-N 3.32Å; P129-Y131 PolarHBondContact O-N 3.09Å; P129-Y149 VanDerWaalsContact CD-CD1 3.48Å; P129-Y149 HydrophobicContact CG-CD1 3.96Å; P129-Y149 HydrophobicContact CG-CD2 3.68Å; P129-Y149 HydrophobicContact CG-CE1 4.01Å; P129-Y149 HydrophobicContact CG-CE2 3.76Å; P129-Y149 HydrophobicContact CG-CG 3.77Å; P129-L172 HydrophobicContact CB-CD1 4.44Å; P129-L172 HydrophobicContact CG-CD1 4.34Å; P129-L172 HydrophobicContact CG-CD2 4.41Å
130C85Confident93.6Very high19 Ų1972.3 Ų72.313%0.12837%0.374CS..THydrogen-bonded Turntrans66.431175.1-40.90000113.6S132 V184 C187C130-S132 PolarHBondContact O-N 2.91Å; C130-V184 HydrophobicContact CB-CG2 4.48Å; C130-C187 HydrophobicContact CB-CB 3.82Å; C130-C187 VanDerWaalsContact CB-SG 3.55Å; C130-C187 WeakPolarHBondContact SG-CB 3.43Å
131Y88.2Confident93.6Very high99 Ų9970 Ų7039%0.38835%0.354SS..  trans-57.3128.3171.3174.8-112.9000111R125 K126 P129 K133R125-Y131 HydrophobicContact CB-CD2 4.11Å; R125-Y131 HydrophobicContact CB-CE2 4.29Å; R125-Y131 WeakPolarHBondContact O-CB 3.46Å; R125-Y131 WeakPolarHBondContact O-CD2 3.5Å; K126-Y131 HydrophobicContact CG-CD2 4.4Å; K126-Y131 HydrophobicContact CG-CE1 4.33Å; K126-Y131 HydrophobicContact CG-CE2 3.94Å; P129-Y131 VanDerWaalsContact C-N 3.32Å; P129-Y131 PolarHBondContact O-N 3.09Å; Y131-K133 HydrophobicContact CE1-CG 3.84Å
132S86.1Confident93.6Very high28 Ų2869 Ų6920%0.19635%0.349CS..  trans-122.8135172171.70000110.4C130 T134 Q135C130-S132 PolarHBondContact O-N 2.91Å; S132-T134 VanDerWaalsContact C-N 3.35Å; S132-T134 PolarHBondContact OG-N 2.96Å; S132-T134 PolarHBondContact OG-OG1 3.38Å; S132-Q135 WeakPolarHBondContact CB-O 3.47Å; S132-Q135 PolarHBondContact OG-N 3.42Å
133K84.5Confident93.6Very high178 Ų17871.5 Ų71.577%0.77436%0.361SS*.SBendtrans-71.1-32.3175.5-67.6-178.8-179.8177.90111.9Y131Y131-K133 HydrophobicContact CE1-CG 3.84Å
134T86.8Confident93.7Very high138 Ų13872.5 Ų72.585%0.84736%0.359SS*.SBendtrans-94.9-29.1-174.754.20000112.6S132S132-T134 VanDerWaalsContact C-N 3.35Å; S132-T134 PolarHBondContact OG-N 2.96Å; S132-T134 PolarHBondContact OG-OG1 3.38Å
135Q89.1Confident93.6Very high120 Ų12070 Ų7056%0.56135%0.345SS*.SBendtrans-124.1100.2-178.8-169.1179.916.100111S132S132-Q135 WeakPolarHBondContact CB-O 3.47Å; S132-Q135 PolarHBondContact OG-N 3.42Å
136K93.6Very high93.7Very high115 Ų11569 Ų6950%0.534%0.344SS..PPolyproline II helixtrans-81.1133176.9-64.7-174.5178.4-171.60110.8D122D122-K136 VanDerWaalsContact CG-NZ 3.32Å; D122-K136 IonicContact OD1-NZ 3.11Å; D122-K136 PolarHBondContact OD1-NZ 3.04Å; D122-K136 VanDerWaalsContact OD1-NZ 3.11Å; D122-K136 IonicContact OD2-NZ 2.85Å; D122-K136 PolarHBondContact OD2-NZ 3.27Å
137L95Very high93.8Very high26 Ų2671 Ų7114%0.13635%0.353CS..PPolyproline II helixtrans-62.2147.5167.4-65-179.4000111R125 E141 T142 L145 T180 L183R125-L137 PolarHBondContact NE-O 3.29Å; R125-L137 PolarHBondContact NH2-O 3.05Å; L137-E141 HydrophobicContact CB-CB 4.34Å; L137-T142 WeakPolarHBondContact CB-OG1 3.37Å; L137-T142 PolarHBondContact O-OG1 3.09Å; L137-L145 HydrophobicContact CD1-CD2 3.71Å; L137-T180 HydrophobicContact CD1-CG2 4.37Å; L137-T180 HydrophobicContact CD2-CG2 3.7Å; L137-L183 HydrophobicContact CD2-CD2 4.01Å
138S97Very high93.9Very high58 Ų5867.2 Ų67.241%0.40633%0.329SS..PPolyproline II helixtrans-61.1163.617480.80000111.1I140 E141 T142S138-I140 VanDerWaalsContact C-N 3.3Å; S138-I140 PolarHBondContact O-N 3.38Å; S138-I140 WeakPolarHBondContact OG-CG2 3.32Å; S138-E141 PolarHBondContact O-N 3.32Å; S138-E141 WeakPolarHBondContact OG-CG 3.29Å; S138-E141 PolarHBondContact OG-N 2.93Å; S138-T142 WeakPolarHBondContact O-CB 3.29Å; S138-T142 PolarHBondContact O-N 3.18Å; S138-T142 PolarHBondContact O-OG1 3.42Å
139K98Very high94.1Very high106 Ų10670 Ų7046%0.46134%0.339SS..Hα-helixtrans-56.2-46.1-179.3-58.7-165167.4-177.40111.4N118 L121 L143N118-K139 PolarHBondContact OD1-NZ 2.85Å; L121-K139 HydrophobicContact CD2-CB 4.05Å; L121-K139 HydrophobicContact CD2-CD 4.08Å; L121-K139 HydrophobicContact CD2-CG 3.6Å; K139-L143 VanDerWaalsContact O-CG 3.3Å; K139-L143 WeakPolarHBondContact O-CG 3.43Å; K139-L143 PolarHBondContact O-N 3.01Å
140I98.1Very high94.4Very high87 Ų8774.2 Ų74.245%0.44636%0.359SS..Hα-helixtrans-69.2-41.6-178.4-174.959.6000112.3S138 T142 L143 R144S138-I140 VanDerWaalsContact C-N 3.3Å; S138-I140 PolarHBondContact O-N 3.38Å; S138-I140 WeakPolarHBondContact OG-CG2 3.32Å; I140-T142 VanDerWaalsContact C-N 3.35Å; I140-T142 PolarHBondContact O-N 3.45Å; I140-L143 PolarHBondContact O-N 3.02Å; I140-R144 HydrophobicContact CD1-CG 4.29Å; I140-R144 HydrophobicContact CG1-CG 4.4Å; I140-R144 WeakPolarHBondContact O-CB 3.48Å; I140-R144 WeakPolarHBondContact O-CG 3.42Å; I140-R144 PolarHBondContact O-N 2.94Å
141E97.6Very high95Very high9 Ų980.3 Ų80.34%0.04238%0.379CS..Hα-helixtrans-67.8-38.3-179.8-64.6-66.3102.500111L137 S138 L143 R144 L145 L176 S177 T180L137-E141 HydrophobicContact CB-CB 4.34Å; S138-E141 PolarHBondContact O-N 3.32Å; S138-E141 WeakPolarHBondContact OG-CG 3.29Å; S138-E141 PolarHBondContact OG-N 2.93Å; E141-L143 PolarHBondContact O-N 2.81Å; E141-R144 PolarHBondContact O-N 3Å; E141-R144 IonicContact OE1-CZ 2.82Å; E141-R144 IonicContact OE1-NH1 3.27Å; E141-R144 PolarHBondContact OE1-NH1 3.41Å; E141-L145 VanDerWaalsContact O-CB 3.29Å; E141-L145 WeakPolarHBondContact O-CB 3.4Å; E141-L145 PolarHBondContact O-N 2.95Å; E141-L176 WeakPolarHBondContact OE2-CA 3.41Å; E141-S177 WeakPolarHBondContact OE2-CB 3.43Å; E141-S177 PolarHBondContact OE2-N 3.41Å; E141-S177 PolarHBondContact OE2-OG 3.3Å; E141-T180 WeakPolarHBondContact OE2-CB 3.45Å; E141-T180 PolarHBondContact OE2-OG1 3.48Å
142T97.9Very high95.4Very high1 Ų175.7 Ų75.71%0.00636%0.362CS..Hα-helixtrans-58.8-47.5173.6-53.40000110.9L121 L124 R125 L137 S138 I140 A146L121-T142 HydrophobicContact CD1-CG2 3.93Å; L124-T142 HydrophobicContact CD2-CG2 4.07Å; L124-T142 HydrophobicContact CG-CG2 4.15Å; R125-T142 HydrophobicContact CG-CG2 3.59Å; R125-T142 PolarHBondContact NE-OG1 3.5Å; L137-T142 WeakPolarHBondContact CB-OG1 3.37Å; L137-T142 PolarHBondContact O-OG1 3.09Å; S138-T142 WeakPolarHBondContact O-CB 3.29Å; S138-T142 PolarHBondContact O-N 3.18Å; S138-T142 PolarHBondContact O-OG1 3.42Å; I140-T142 VanDerWaalsContact C-N 3.35Å; I140-T142 PolarHBondContact O-N 3.45Å; T142-A146 VanDerWaalsContact O-CB 3.29Å; T142-A146 WeakPolarHBondContact O-CB 3.38Å; T142-A146 PolarHBondContact O-N 3.34Å
143L98.5Very high95.8Very high96 Ų9677.5 Ų77.550%0.50337%0.369SS..Hα-helixtrans-66.9-41-179.6-67.9174.2000112.4L124 K139 I140 E141 K147L124-L143 HydrophobicContact CD2-CD2 4.16Å; K139-L143 VanDerWaalsContact O-CG 3.3Å; K139-L143 WeakPolarHBondContact O-CG 3.43Å; K139-L143 PolarHBondContact O-N 3.01Å; I140-L143 PolarHBondContact O-N 3.02Å; E141-L143 PolarHBondContact O-N 2.81Å; L143-K147 WeakPolarHBondContact O-CB 3.37Å; L143-K147 PolarHBondContact O-N 3.18Å
144R98.3Very high96.4Very high109 Ų10972.1 Ų72.141%0.41135%0.353SS..Hα-helixtrans-62.6-48.9176-74.8172.6173.8170.2-6.1111.3I140 E141 A146 K147 N148 G175 L176I140-R144 HydrophobicContact CD1-CG 4.29Å; I140-R144 HydrophobicContact CG1-CG 4.4Å; I140-R144 WeakPolarHBondContact O-CB 3.48Å; I140-R144 WeakPolarHBondContact O-CG 3.42Å; I140-R144 PolarHBondContact O-N 2.94Å; E141-R144 PolarHBondContact O-N 3Å; E141-R144 IonicContact OE1-CZ 2.82Å; E141-R144 IonicContact OE1-NH1 3.27Å; E141-R144 PolarHBondContact OE1-NH1 3.41Å; R144-A146 PolarHBondContact O-N 3.29Å; R144-K147 PolarHBondContact O-N 3.35Å; R144-N148 VanDerWaalsContact O-CG 3.24Å; R144-N148 PolarHBondContact O-N 2.77Å; R144-N148 PolarHBondContact O-OD1 2.77Å; R144-G175 WeakPolarHBondContact CD-O 3.41Å; R144-G175 PolarHBondContact NH1-O 3.4Å; R144-L176 HydrophobicContact CB-CD2 3.68Å
145L97.4Very high96.8Very high0 Ų068.3 Ų68.30%033%0.326CS..Hα-helixtrans-65.3-39.8-179.6-17558.6000111.4V128 L137 E141 N148 Y149 L172 L176 V184V128-L145 HydrophobicContact CG1-CB 3.91Å; V128-L145 HydrophobicContact CG1-CD2 3.35Å; V128-L145 HydrophobicContact CG1-CG 3.36Å; L137-L145 HydrophobicContact CD1-CD2 3.71Å; E141-L145 VanDerWaalsContact O-CB 3.29Å; E141-L145 WeakPolarHBondContact O-CB 3.4Å; E141-L145 PolarHBondContact O-N 2.95Å; L145-N148 PolarHBondContact O-N 3.07Å; L145-Y149 VanDerWaalsContact O-CB 3.3Å; L145-Y149 WeakPolarHBondContact O-CB 3.36Å; L145-Y149 PolarHBondContact O-N 3.25Å; L145-L172 HydrophobicContact CD1-CB 4.09Å; L145-L172 HydrophobicContact CD1-CD2 4.17Å; L145-L176 HydrophobicContact CB-CD1 4.4Å; L145-L176 HydrophobicContact CB-CD2 4.24Å; L145-L176 HydrophobicContact CD1-CD1 3.9Å; L145-V184 HydrophobicContact CD2-CG2 4.47Å
146A98.5Very high97.1Very high11 Ų1164.7 Ų64.79%0.09131%0.31CS..Hα-helixtrans-60-47.6173.900000112.3L124 V128 T142 R144 N148 Y149 I150L124-A146 HydrophobicContact CD1-CB 4.07Å; L124-A146 HydrophobicContact CD2-CB 4.12Å; L124-A146 HydrophobicContact CG-CB 4.37Å; V128-A146 HydrophobicContact CG2-CB 3.76Å; T142-A146 VanDerWaalsContact O-CB 3.29Å; T142-A146 WeakPolarHBondContact O-CB 3.38Å; T142-A146 PolarHBondContact O-N 3.34Å; R144-A146 PolarHBondContact O-N 3.29Å; A146-N148 VanDerWaalsContact C-N 3.35Å; A146-N148 PolarHBondContact O-N 3.44Å; A146-Y149 PolarHBondContact O-N 3.4Å; A146-I150 WeakPolarHBondContact O-CG1 3.48Å; A146-I150 PolarHBondContact O-N 2.84Å
147K98.5Very high97.2Very high155 Ų15566.3 Ų66.367%0.67432%0.324SS*.Hα-helixtrans-57.4-48.4175.6176.5-172.2173.3-177.90111.3L143 R144 Y149 I150 W151L143-K147 WeakPolarHBondContact O-CB 3.37Å; L143-K147 PolarHBondContact O-N 3.18Å; R144-K147 PolarHBondContact O-N 3.35Å; K147-Y149 VanDerWaalsContact C-N 3.3Å; K147-Y149 PolarHBondContact O-N 2.69Å; K147-I150 PolarHBondContact O-N 3.15Å; K147-W151 PolarHBondContact O-N 2.99Å; K147-W151 VanDerWaalsContact O-N 3.1Å
148N98.1Very high97.2Very high21 Ų2173.9 Ų73.911%0.11235%0.35CS..Hα-helixtrans-63.6-39.1-179.8-68.1-9.2000111.2R144 L145 A146 W151 A152 T171 L172 K174R144-N148 VanDerWaalsContact O-CG 3.24Å; R144-N148 PolarHBondContact O-N 2.77Å; R144-N148 PolarHBondContact O-OD1 2.77Å; L145-N148 PolarHBondContact O-N 3.07Å; A146-N148 VanDerWaalsContact C-N 3.35Å; A146-N148 PolarHBondContact O-N 3.44Å; N148-W151 PolarHBondContact O-N 2.81Å; N148-A152 WeakPolarHBondContact O-CB 3.32Å; N148-A152 PolarHBondContact O-N 3.4Å; N148-T171 WeakPolarHBondContact CB-O 3.31Å; N148-T171 PolarHBondContact ND2-O 3.31Å; N148-L172 PolarHBondContact ND2-O 3.12Å; N148-K174 PolarHBondContact ND2-O 3.42Å
149Y97.7Very high97.1Very high69 Ų6973.5 Ų73.527%0.27135%0.348SS..Hα-helixtrans-66.3-45.1178.6-173.6-140.7000112.3P129 L145 A146 K147 W151 A152 L153 F168 L172P129-Y149 VanDerWaalsContact CD-CD1 3.48Å; P129-Y149 HydrophobicContact CG-CD1 3.96Å; P129-Y149 HydrophobicContact CG-CD2 3.68Å; P129-Y149 HydrophobicContact CG-CE1 4.01Å; P129-Y149 HydrophobicContact CG-CE2 3.76Å; P129-Y149 HydrophobicContact CG-CG 3.77Å; L145-Y149 VanDerWaalsContact O-CB 3.3Å; L145-Y149 WeakPolarHBondContact O-CB 3.36Å; L145-Y149 PolarHBondContact O-N 3.25Å; A146-Y149 PolarHBondContact O-N 3.4Å; K147-Y149 VanDerWaalsContact C-N 3.3Å; K147-Y149 PolarHBondContact O-N 2.69Å; Y149-W151 VanDerWaalsContact C-N 3.29Å; Y149-W151 PolarHBondContact O-N 3.01Å; Y149-A152 PolarHBondContact O-N 2.99Å; Y149-L153 HydrophobicContact CD1-CD1 4.22Å; Y149-L153 HydrophobicContact CD2-CD1 4.11Å; Y149-L153 HydrophobicContact CD2-CD2 4.32Å; Y149-L153 HydrophobicContact CD2-CG 3.87Å; Y149-L153 HydrophobicContact CE1-CD1 3.85Å; Y149-L153 HydrophobicContact CE2-CD1 3.71Å; Y149-L153 HydrophobicContact CE2-CD2 3.65Å; Y149-L153 HydrophobicContact CE2-CG 3.6Å; Y149-L153 HydrophobicContact CG-CD1 4.36Å; Y149-L153 HydrophobicContact CG-CG 4.49Å; Y149-L153 WeakPolarHBondContact O-CG 3.48Å; Y149-L153 PolarHBondContact O-N 3.42Å; Y149-F168 HydrophobicContact CD2-CZ 4.33Å; Y149-F168 HydrophobicContact CE2-CZ 4.14Å; Y149-L172 HydrophobicContact CD2-CD2 3.95Å; Y149-L172 HydrophobicContact CG-CD2 4.36Å
150I98.3Very high96.7Very high113 Ų11371.9 Ų71.958%0.57936%0.361SS*.Hα-helixtrans-56.5-46173.8-68.1165.9000110.3A146 K147 S154A146-I150 WeakPolarHBondContact O-CG1 3.48Å; A146-I150 PolarHBondContact O-N 2.84Å; K147-I150 PolarHBondContact O-N 3.15Å; I150-S154 WeakPolarHBondContact O-CB 3.46Å; I150-S154 PolarHBondContact O-N 3.29Å; I150-S154 PolarHBondContact O-OG 3.16Å
151W97.6Very high96.3Very high147 Ų14775.3 Ų75.356%0.55737%0.373SS*.Hα-helixtrans-61.9-45.5177.9-177.789.7000111.8K147 N148 Y149 L153 S154 E155 T171K147-W151 PolarHBondContact O-N 2.99Å; K147-W151 VanDerWaalsContact O-N 3.1Å; N148-W151 PolarHBondContact O-N 2.81Å; Y149-W151 VanDerWaalsContact C-N 3.29Å; Y149-W151 PolarHBondContact O-N 3.01Å; W151-L153 PolarHBondContact O-N 3.36Å; W151-S154 WeakPolarHBondContact O-CB 3.49Å; W151-S154 PolarHBondContact O-N 3.31Å; W151-E155 PolarHBondContact O-N 3.39Å; W151-T171 HydrophobicContact CD2-CG2 4.35Å; W151-T171 HydrophobicContact CE3-CG2 3.13Å; W151-T171 HydrophobicContact CH2-CG2 4.45Å; W151-T171 HydrophobicContact CZ3-CG2 3.19Å; W151-T171 WeakPolarHBondContact CZ3-OG1 3.3Å
152A95.9Very high95.7Very high3 Ų380.2 Ų80.23%0.02541%0.408CS..Hα-helixtrans-61.7-46.7-179.600000111.7N148 Y149 S154 E155 I156 F168 T171N148-A152 WeakPolarHBondContact O-CB 3.32Å; N148-A152 PolarHBondContact O-N 3.4Å; Y149-A152 PolarHBondContact O-N 2.99Å; A152-S154 VanDerWaalsContact C-N 3.34Å; A152-S154 PolarHBondContact O-N 2.92Å; A152-E155 PolarHBondContact O-N 3.4Å; A152-I156 WeakPolarHBondContact O-CD1 3.39Å; A152-I156 VanDerWaalsContact O-CG1 3.3Å; A152-I156 WeakPolarHBondContact O-CG1 3.43Å; A152-I156 PolarHBondContact O-N 2.98Å; A152-I156 VanDerWaalsContact O-N 3.1Å; A152-F168 HydrophobicContact CB-CD2 3.9Å; A152-F168 HydrophobicContact CB-CE2 3.61Å; A152-T171 HydrophobicContact CB-CG2 3.77Å
153L96.1Very high95.1Very high66 Ų6682.9 Ų82.935%0.34643%0.425SS..Hα-helixtrans-63.8-39.9176.4-66.8-177.8000112.1Y149 W151 E155 I156 L157Y149-L153 HydrophobicContact CD1-CD1 4.22Å; Y149-L153 HydrophobicContact CD2-CD1 4.11Å; Y149-L153 HydrophobicContact CD2-CD2 4.32Å; Y149-L153 HydrophobicContact CD2-CG 3.87Å; Y149-L153 HydrophobicContact CE1-CD1 3.85Å; Y149-L153 HydrophobicContact CE2-CD1 3.71Å; Y149-L153 HydrophobicContact CE2-CD2 3.65Å; Y149-L153 HydrophobicContact CE2-CG 3.6Å; Y149-L153 HydrophobicContact CG-CD1 4.36Å; Y149-L153 HydrophobicContact CG-CG 4.49Å; Y149-L153 WeakPolarHBondContact O-CG 3.48Å; Y149-L153 PolarHBondContact O-N 3.42Å; W151-L153 PolarHBondContact O-N 3.36Å; L153-E155 VanDerWaalsContact C-N 3.27Å; L153-E155 PolarHBondContact O-N 3.31Å; L153-I156 HydrophobicContact CD2-CD1 4.26Å; L153-I156 PolarHBondContact O-N 3.23Å; L153-L157 WeakPolarHBondContact O-CG 3.39Å; L153-L157 PolarHBondContact O-N 3.45Å
154S97.3Very high94.7Very high64 Ų6482.8 Ų82.845%0.44843%0.425SS..Hα-helixtrans-60.5-39.3176.5-58.90000111.5I150 W151 A152 R158I150-S154 WeakPolarHBondContact O-CB 3.46Å; I150-S154 PolarHBondContact O-N 3.29Å; I150-S154 PolarHBondContact O-OG 3.16Å; W151-S154 WeakPolarHBondContact O-CB 3.49Å; W151-S154 PolarHBondContact O-N 3.31Å; A152-S154 VanDerWaalsContact C-N 3.34Å; A152-S154 PolarHBondContact O-N 2.92Å; S154-R158 VanDerWaalsContact O-CB 3.3Å; S154-R158 WeakPolarHBondContact O-CB 3.46Å; S154-R158 PolarHBondContact O-N 3.17Å
155E95Very high94.3Very high58 Ų5881.8 Ų81.827%0.27143%0.428SS..Hα-helixtrans-69.1-38.8178.1-171.856.8-153.700112.7W151 A152 L153 R158 S159W151-E155 PolarHBondContact O-N 3.39Å; A152-E155 PolarHBondContact O-N 3.4Å; L153-E155 VanDerWaalsContact C-N 3.27Å; L153-E155 PolarHBondContact O-N 3.31Å; E155-R158 PolarHBondContact O-N 3.36Å; E155-R158 IonicContact OE1-CZ 3.26Å; E155-R158 VanDerWaalsContact OE1-CZ 3.26Å; E155-R158 IonicContact OE1-NE 3.74Å; E155-R158 IonicContact OE1-NH2 2.61Å; E155-R158 PolarHBondContact OE1-NH2 2.6Å; E155-R158 IonicContact OE2-CZ 3.17Å; E155-R158 IonicContact OE2-NE 3Å; E155-R158 PolarHBondContact OE2-NE 3.14Å; E155-R158 IonicContact OE2-NH2 2.64Å; E155-R158 PolarHBondContact OE2-NH2 3.44Å; E155-S159 WeakPolarHBondContact O-CB 3.49Å; E155-S159 PolarHBondContact O-N 2.82Å; E155-S159 PolarHBondContact O-OG 3.45Å
156I94.9Very high93.9Very high44 Ų4484.6 Ų84.623%0.22645%0.445CS..Hα-helixtrans-61.6-48.3174.9-66.2162.4000110.1A152 L153 R158 S159 G160 P163 F168A152-I156 WeakPolarHBondContact O-CD1 3.39Å; A152-I156 VanDerWaalsContact O-CG1 3.3Å; A152-I156 WeakPolarHBondContact O-CG1 3.43Å; A152-I156 PolarHBondContact O-N 2.98Å; A152-I156 VanDerWaalsContact O-N 3.1Å; L153-I156 HydrophobicContact CD2-CD1 4.26Å; L153-I156 PolarHBondContact O-N 3.23Å; I156-R158 VanDerWaalsContact C-N 3.32Å; I156-R158 PolarHBondContact O-N 2.92Å; I156-S159 PolarHBondContact O-N 3.27Å; I156-S159 PolarHBondContact O-OG 3.46Å; I156-G160 PolarHBondContact O-N 3.05Å; I156-P163 HydrophobicContact CD1-CB 4.06Å; I156-P163 HydrophobicContact CD1-CG 3.58Å; I156-P163 HydrophobicContact CG1-CB 3.85Å; I156-P163 HydrophobicContact CG1-CG 3.78Å; I156-F168 HydrophobicContact CD1-CD2 4.08Å; I156-F168 HydrophobicContact CD1-CE2 3.91Å
157L96Very high93.6Very high150 Ų15086.4 Ų86.479%0.78546%0.457SS*.Hα-helixtrans-63.2-38.6178.3-68.1174.4000112.1L153L153-L157 WeakPolarHBondContact O-CG 3.39Å; L153-L157 PolarHBondContact O-N 3.45Å
158R95.6Very high93.3Very high184 Ų18480.8 Ų80.869%0.69443%0.432SS*.Hα-helixtrans-70.7-39.4179.3-174.3176.867.983.6-11.7113.1S154 E155 I156S154-R158 VanDerWaalsContact O-CB 3.3Å; S154-R158 WeakPolarHBondContact O-CB 3.46Å; S154-R158 PolarHBondContact O-N 3.17Å; E155-R158 PolarHBondContact O-N 3.36Å; E155-R158 IonicContact OE1-CZ 3.26Å; E155-R158 VanDerWaalsContact OE1-CZ 3.26Å; E155-R158 IonicContact OE1-NE 3.74Å; E155-R158 IonicContact OE1-NH2 2.61Å; E155-R158 PolarHBondContact OE1-NH2 2.6Å; E155-R158 IonicContact OE2-CZ 3.17Å; E155-R158 IonicContact OE2-NE 3Å; E155-R158 PolarHBondContact OE2-NE 3.14Å; E155-R158 IonicContact OE2-NH2 2.64Å; E155-R158 PolarHBondContact OE2-NH2 3.44Å; I156-R158 VanDerWaalsContact C-N 3.32Å; I156-R158 PolarHBondContact O-N 2.92Å
159S93.1Very high93Very high51 Ų5180 Ų8036%0.35743%0.428SS..Hα-helixtrans-81-23.6-178.264.10000113.1E155 I156 K161E155-S159 WeakPolarHBondContact O-CB 3.49Å; E155-S159 PolarHBondContact O-N 2.82Å; E155-S159 PolarHBondContact O-OG 3.45Å; I156-S159 PolarHBondContact O-N 3.27Å; I156-S159 PolarHBondContact O-OG 3.46Å; S159-K161 PolarHBondContact O-N 3.11Å
160G91.1Very high92.8Very high71 Ų7182.1 Ų82.173%0.73244%0.44SS*.THydrogen-bonded Turntrans65.116.4-176.300000113.6I156I156-G160 PolarHBondContact O-N 3.05Å
161K88.4Confident92.6Very high160 Ų16078.1 Ų78.170%0.69642%0.421SS*.SBendtrans-119.5150.5-176.5-65.7174.2-172.9179.50110S159S159-K161 PolarHBondContact O-N 3.11Å
162S84.9Confident92.5Very high111 Ų11171.1 Ų71.178%0.77640%0.395SS*.PPolyproline II helixtrans-60.8128.5167.753.70000109.3
163P86.4Confident92.5Very high57 Ų5771.8 Ų71.837%0.3740%0.399SS..PPolyproline II helixtrans-66.4145.2178.930.5-36.8000110.5I156 L165 F168I156-P163 HydrophobicContact CD1-CB 4.06Å; I156-P163 HydrophobicContact CD1-CG 3.58Å; I156-P163 HydrophobicContact CG1-CB 3.85Å; I156-P163 HydrophobicContact CG1-CG 3.78Å; P163-L165 PolarHBondContact O-N 3.06Å; P163-F168 HydrophobicContact CB-CB 4.3Å; P163-F168 HydrophobicContact CB-CD2 4.43Å; P163-F168 HydrophobicContact CG-CD2 4.38Å
164D90.1Very high92.5Very high95 Ų9576.3 Ų76.351%0.50842%0.416SS..PPolyproline II helixtrans-65.2129.6164.3164.256.3000109.3V166 S167 F168D164-V166 VanDerWaalsContact C-N 3.28Å; D164-V166 PolarHBondContact O-N 3.44Å; D164-V166 WeakPolarHBondContact OD2-CB 3.42Å; D164-V166 PolarHBondContact OD2-N 3.49Å; D164-S167 PolarHBondContact O-N 3.32Å; D164-S167 PolarHBondContact O-OG 2.93Å; D164-S167 PolarHBondContact OD2-N 2.97Å; D164-F168 WeakPolarHBondContact O-CB 3.37Å; D164-F168 PolarHBondContact O-N 3.32Å
165L88.9Confident92.4Very high88 Ų8875.9 Ų75.946%0.46142%0.422SS..Hα-helixtrans-59.4-39.9-173.1-17856.2000111.9P163 F168 V169 L190P163-L165 PolarHBondContact O-N 3.06Å; L165-F168 PolarHBondContact O-N 3.28Å; L165-V169 HydrophobicContact CD1-CG2 4.31Å; L165-V169 WeakPolarHBondContact O-CG2 3.46Å; L165-V169 PolarHBondContact O-N 2.95Å; L165-L190 HydrophobicContact CD1-CD2 4.37Å; L165-L190 HydrophobicContact CD2-CD2 3.53Å; L165-L190 HydrophobicContact CG-CD2 3.83Å
166V90.1Very high92.5Very high59 Ų5974 Ų7436%0.35841%0.414SS..Hα-helixtrans-64.9-48.7179173.70000110.2D164 F168 V169 Q170 F195D164-V166 VanDerWaalsContact C-N 3.28Å; D164-V166 PolarHBondContact O-N 3.44Å; D164-V166 WeakPolarHBondContact OD2-CB 3.42Å; D164-V166 PolarHBondContact OD2-N 3.49Å; V166-F168 VanDerWaalsContact C-N 3.32Å; V166-F168 PolarHBondContact O-N 3.17Å; V166-V169 PolarHBondContact O-N 2.9Å; V166-Q170 WeakPolarHBondContact O-CG 3.2Å; V166-Q170 PolarHBondContact O-N 3.29Å; V166-F195 HydrophobicContact CB-CE1 4.15Å; V166-F195 HydrophobicContact CB-CZ 4.17Å; V166-F195 HydrophobicContact CG1-CD1 4.47Å; V166-F195 HydrophobicContact CG1-CE1 3.48Å; V166-F195 VanDerWaalsContact CG1-CE1 3.48Å; V166-F195 HydrophobicContact CG1-CZ 3.96Å; V166-F195 HydrophobicContact CG2-CE1 4.44Å; V166-F195 HydrophobicContact CG2-CZ 4.07Å
167S91Very high92.6Very high49 Ų4974.1 Ų74.134%0.34342%0.418SS..Hα-helixtrans-61.3-37.8176.777.20000113.3D164 T171D164-S167 PolarHBondContact O-N 3.32Å; D164-S167 PolarHBondContact O-OG 2.93Å; D164-S167 PolarHBondContact OD2-N 2.97Å; S167-T171 WeakPolarHBondContact O-CB 3.39Å; S167-T171 PolarHBondContact O-N 3.5Å; S167-T171 PolarHBondContact O-OG1 3.46Å
168F92.4Very high92.5Very high36 Ų3673 Ų7316%0.15841%0.409CS..Hα-helixtrans-65.5-43.6178.5-177.6-105.2000111.2Y149 A152 I156 P163 D164 L165 V166 T171 L172Y149-F168 HydrophobicContact CD2-CZ 4.33Å; Y149-F168 HydrophobicContact CE2-CZ 4.14Å; A152-F168 HydrophobicContact CB-CD2 3.9Å; A152-F168 HydrophobicContact CB-CE2 3.61Å; I156-F168 HydrophobicContact CD1-CD2 4.08Å; I156-F168 HydrophobicContact CD1-CE2 3.91Å; P163-F168 HydrophobicContact CB-CB 4.3Å; P163-F168 HydrophobicContact CB-CD2 4.43Å; P163-F168 HydrophobicContact CG-CD2 4.38Å; D164-F168 WeakPolarHBondContact O-CB 3.37Å; D164-F168 PolarHBondContact O-N 3.32Å; L165-F168 PolarHBondContact O-N 3.28Å; V166-F168 VanDerWaalsContact C-N 3.32Å; V166-F168 PolarHBondContact O-N 3.17Å; F168-T171 VanDerWaalsContact O-CB 3.32Å; F168-T171 WeakPolarHBondContact O-CB 3.43Å; F168-T171 PolarHBondContact O-N 2.98Å; F168-L172 HydrophobicContact CD1-CD1 3.94Å; F168-L172 HydrophobicContact CD1-CG 4.43Å; F168-L172 HydrophobicContact CE1-CD1 3.42Å; F168-L172 VanDerWaalsContact CE1-CD1 3.42Å; F168-L172 HydrophobicContact CE1-CG 4.12Å; F168-L172 HydrophobicContact CZ-CD1 3.88Å; F168-L172 HydrophobicContact CZ-CD2 4.43Å; F168-L172 HydrophobicContact CZ-CG 4.26Å; F168-L172 WeakPolarHBondContact O-CG 3.42Å; F168-L172 PolarHBondContact O-N 3.19Å
169V92.7Very high92.4Very high4 Ų468.7 Ų68.72%0.02441%0.405CS..Hα-helixtrans-71.3-41.9179.8174.70000111.9L165 V166 T171 L172 C173 L188 L190 F195L165-V169 HydrophobicContact CD1-CG2 4.31Å; L165-V169 WeakPolarHBondContact O-CG2 3.46Å; L165-V169 PolarHBondContact O-N 2.95Å; V166-V169 PolarHBondContact O-N 2.9Å; V169-T171 PolarHBondContact O-N 3.1Å; V169-L172 PolarHBondContact O-N 3.48Å; V169-L172 VanDerWaalsContact O-N 3.14Å; V169-C173 WeakPolarHBondContact O-CB 3.37Å; V169-C173 PolarHBondContact O-N 3.22Å; V169-C173 PolarHBondContact O-SG 3.42Å; V169-L188 HydrophobicContact CG2-CD1 3.49Å; V169-L188 VanDerWaalsContact CG2-CD1 3.49Å; V169-L190 HydrophobicContact CB-CD1 3.88Å; V169-L190 HydrophobicContact CG1-CD1 3.82Å; V169-L190 HydrophobicContact CG2-CD1 3.15Å; V169-F195 HydrophobicContact CB-CZ 4.29Å; V169-F195 HydrophobicContact CG1-CZ 4.3Å
170Q93Very high92.4Very high114 Ų11466.9 Ų66.953%0.53339%0.391SS..Hα-helixtrans-56.1-40.3173.7-75176.2-3.600111.5V166 K174 F195V166-Q170 WeakPolarHBondContact O-CG 3.2Å; V166-Q170 PolarHBondContact O-N 3.29Å; Q170-K174 PolarHBondContact O-N 3.18Å; Q170-F195 HydrophobicContact CG-CD1 4.06Å; Q170-F195 HydrophobicContact CG-CE1 3.92Å
171T94.9Very high92.6Very high29 Ų2965 Ų6518%0.17837%0.366CS..Hα-helixtrans-62.8-50.9174.9-65.30000111.9N148 W151 A152 S167 F168 V169 C173 K174N148-T171 WeakPolarHBondContact CB-O 3.31Å; N148-T171 PolarHBondContact ND2-O 3.31Å; W151-T171 HydrophobicContact CD2-CG2 4.35Å; W151-T171 HydrophobicContact CE3-CG2 3.13Å; W151-T171 HydrophobicContact CH2-CG2 4.45Å; W151-T171 HydrophobicContact CZ3-CG2 3.19Å; W151-T171 WeakPolarHBondContact CZ3-OG1 3.3Å; A152-T171 HydrophobicContact CB-CG2 3.77Å; S167-T171 WeakPolarHBondContact O-CB 3.39Å; S167-T171 PolarHBondContact O-N 3.5Å; S167-T171 PolarHBondContact O-OG1 3.46Å; F168-T171 VanDerWaalsContact O-CB 3.32Å; F168-T171 WeakPolarHBondContact O-CB 3.43Å; F168-T171 PolarHBondContact O-N 2.98Å; V169-T171 PolarHBondContact O-N 3.1Å; T171-C173 VanDerWaalsContact C-N 3.32Å; T171-C173 PolarHBondContact O-N 3.38Å; T171-K174 WeakPolarHBondContact O-CB 3.47Å; T171-K174 PolarHBondContact O-N 3.13Å
172L95.5Very high92.7Very high0 Ų061.6 Ų61.60%036%0.355CS..Hα-helixtrans-59-44.6179.6-73.2-177000111.7P129 L145 N148 Y149 F168 V169 K174 L176 V184 L188P129-L172 HydrophobicContact CB-CD1 4.44Å; P129-L172 HydrophobicContact CG-CD1 4.34Å; P129-L172 HydrophobicContact CG-CD2 4.41Å; L145-L172 HydrophobicContact CD1-CB 4.09Å; L145-L172 HydrophobicContact CD1-CD2 4.17Å; N148-L172 PolarHBondContact ND2-O 3.12Å; Y149-L172 HydrophobicContact CD2-CD2 3.95Å; Y149-L172 HydrophobicContact CG-CD2 4.36Å; F168-L172 HydrophobicContact CD1-CD1 3.94Å; F168-L172 HydrophobicContact CD1-CG 4.43Å; F168-L172 HydrophobicContact CE1-CD1 3.42Å; F168-L172 VanDerWaalsContact CE1-CD1 3.42Å; F168-L172 HydrophobicContact CE1-CG 4.12Å; F168-L172 HydrophobicContact CZ-CD1 3.88Å; F168-L172 HydrophobicContact CZ-CD2 4.43Å; F168-L172 HydrophobicContact CZ-CG 4.26Å; F168-L172 WeakPolarHBondContact O-CG 3.42Å; F168-L172 PolarHBondContact O-N 3.19Å; V169-L172 PolarHBondContact O-N 3.48Å; V169-L172 VanDerWaalsContact O-N 3.14Å; L172-K174 VanDerWaalsContact C-N 3.28Å; L172-K174 PolarHBondContact O-N 3Å; L172-L176 WeakPolarHBondContact O-CD1 3.43Å; L172-V184 HydrophobicContact CB-CG1 4.49Å; L172-V184 HydrophobicContact CD1-CG1 4.46Å; L172-L188 HydrophobicContact CD1-CD1 4.3Å
173C95.9Very high92.9Very high18 Ų1858.2 Ų58.212%0.12233%0.328CS..Hα-helixtrans-78.4-6.5-174.6-63.70000114.2V169 T171 G175 L176 T181V169-C173 WeakPolarHBondContact O-CB 3.37Å; V169-C173 PolarHBondContact O-N 3.22Å; V169-C173 PolarHBondContact O-SG 3.42Å; T171-C173 VanDerWaalsContact C-N 3.32Å; T171-C173 PolarHBondContact O-N 3.38Å; C173-G175 PolarHBondContact O-N 3.36Å; C173-G175 VanDerWaalsContact O-N 3.09Å; C173-L176 WeakPolarHBondContact O-CB 3.22Å; C173-L176 PolarHBondContact O-N 3.3Å; C173-L176 VanDerWaalsContact O-N 3.07Å; C173-T181 HydrophobicContact CB-CG2 3.96Å
174K95.7Very high93.1Very high160 Ų16055.5 Ų55.570%0.69631%0.311SS*.THydrogen-bonded Turntrans-59115.8-175.8-174.5176.8179.9175.20111.9N148 Q170 T171 L172 L176N148-K174 PolarHBondContact ND2-O 3.42Å; Q170-K174 PolarHBondContact O-N 3.18Å; T171-K174 WeakPolarHBondContact O-CB 3.47Å; T171-K174 PolarHBondContact O-N 3.13Å; L172-K174 VanDerWaalsContact C-N 3.28Å; L172-K174 PolarHBondContact O-N 3Å; K174-L176 PolarHBondContact O-N 3.44Å
175G95.7Very high93Very high55 Ų5551.6 Ų51.657%0.56729%0.292SS*.THydrogen-bonded Turntrans74.411.9177.500000114.6R144 C173R144-G175 WeakPolarHBondContact CD-O 3.41Å; R144-G175 PolarHBondContact NH1-O 3.4Å; C173-G175 PolarHBondContact O-N 3.36Å; C173-G175 VanDerWaalsContact O-N 3.09Å
176L96.6Very high92.8Very high20 Ų2050 Ų5011%0.10530%0.296CS..  trans-80.5156.8167.9-59.6-176.8000110.7E141 R144 L145 L172 C173 K174 T180 V184E141-L176 WeakPolarHBondContact OE2-CA 3.41Å; R144-L176 HydrophobicContact CB-CD2 3.68Å; L145-L176 HydrophobicContact CB-CD1 4.4Å; L145-L176 HydrophobicContact CB-CD2 4.24Å; L145-L176 HydrophobicContact CD1-CD1 3.9Å; L172-L176 WeakPolarHBondContact O-CD1 3.43Å; C173-L176 WeakPolarHBondContact O-CB 3.22Å; C173-L176 PolarHBondContact O-N 3.3Å; C173-L176 VanDerWaalsContact O-N 3.07Å; K174-L176 PolarHBondContact O-N 3.44Å; L176-T180 HydrophobicContact CB-CG2 4.2Å; L176-T180 HydrophobicContact CD1-CG2 3.73Å; L176-T180 HydrophobicContact CD2-CG2 4.42Å; L176-T180 HydrophobicContact CG-CG2 4.34Å; L176-V184 HydrophobicContact CD1-CG2 4.39Å
177S96.3Very high92.5Very high46 Ų4650.2 Ų50.232%0.32230%0.3SS..  trans-65.8150.3170.158.20000111.4E141 P179 T180 T181E141-S177 WeakPolarHBondContact OE2-CB 3.43Å; E141-S177 PolarHBondContact OE2-N 3.41Å; E141-S177 PolarHBondContact OE2-OG 3.3Å; S177-P179 VanDerWaalsContact C-CD 3.48Å; S177-T180 WeakPolarHBondContact O-CB 3.43Å; S177-T180 PolarHBondContact O-N 3.36Å; S177-T180 WeakPolarHBondContact OG-CB 3.35Å; S177-T180 PolarHBondContact OG-OG1 3.35Å; S177-T181 PolarHBondContact O-N 2.81Å; S177-T181 PolarHBondContact O-OG1 3.4Å
178Q94Very high92Very high125 Ų12550.6 Ų50.658%0.58430%0.298SS*.Hα-helixtrans-53.2-44179.4-171.864.145.800113.8T180 T181 N182Q178-T180 VanDerWaalsContact C-N 3.27Å; Q178-T180 PolarHBondContact O-N 2.72Å; Q178-T181 PolarHBondContact O-N 3.02Å; Q178-N182 PolarHBondContact NE2-OD1 3.31Å; Q178-N182 VanDerWaalsContact O-CG 3.25Å; Q178-N182 PolarHBondContact O-N 2.97Å; Q178-N182 PolarHBondContact O-OD1 3.38Å
179P93.5Very high90.9Very high94 Ų9457.5 Ų57.561%0.6133%0.331SS*.Hα-helixtrans-62.4-36.2177.3-22.935.3000112.7S177 N182 L183S177-P179 VanDerWaalsContact C-CD 3.48Å; P179-N182 PolarHBondContact O-N 3.4Å; P179-L183 PolarHBondContact O-N 2.9Å
180T93.9Very high89.4Confident13 Ų1358.6 Ų58.68%0.0834%0.336CS..Hα-helixtrans-71.3-41.4178.6-57.30000111L137 E141 L176 S177 Q178 N182 L183 V184L137-T180 HydrophobicContact CD1-CG2 4.37Å; L137-T180 HydrophobicContact CD2-CG2 3.7Å; E141-T180 WeakPolarHBondContact OE2-CB 3.45Å; E141-T180 PolarHBondContact OE2-OG1 3.48Å; L176-T180 HydrophobicContact CB-CG2 4.2Å; L176-T180 HydrophobicContact CD1-CG2 3.73Å; L176-T180 HydrophobicContact CD2-CG2 4.42Å; L176-T180 HydrophobicContact CG-CG2 4.34Å; S177-T180 WeakPolarHBondContact O-CB 3.43Å; S177-T180 PolarHBondContact O-N 3.36Å; S177-T180 WeakPolarHBondContact OG-CB 3.35Å; S177-T180 PolarHBondContact OG-OG1 3.35Å; Q178-T180 VanDerWaalsContact C-N 3.27Å; Q178-T180 PolarHBondContact O-N 2.72Å; T180-N182 VanDerWaalsContact C-N 3.29Å; T180-N182 PolarHBondContact O-N 3.46Å; T180-L183 WeakPolarHBondContact O-CB 3.43Å; T180-L183 PolarHBondContact O-N 2.89Å; T180-L183 VanDerWaalsContact O-N 3.16Å; T180-V184 WeakPolarHBondContact O-CG2 3.45Å; T180-V184 PolarHBondContact O-N 2.91Å
181T93.9Very high87.3Confident32 Ų3259 Ų5920%0.19634%0.342CS..Hα-helixtrans-58.2-41.9172.7-620000111.6C173 S177 Q178 L183 V184 A185C173-T181 HydrophobicContact CB-CG2 3.96Å; S177-T181 PolarHBondContact O-N 2.81Å; S177-T181 PolarHBondContact O-OG1 3.4Å; Q178-T181 PolarHBondContact O-N 3.02Å; T181-L183 VanDerWaalsContact C-N 3.35Å; T181-L183 PolarHBondContact O-N 3.46Å; T181-V184 PolarHBondContact O-N 3.18Å; T181-A185 PolarHBondContact O-N 3.27Å
182N90.6Very high85.3Confident88 Ų8862.2 Ų62.247%0.47136%0.363SS..Hα-helixtrans-64.1-39.9176.3-67.2-9.1000111.9Q178 P179 T180 A185 G186Q178-N182 PolarHBondContact NE2-OD1 3.31Å; Q178-N182 VanDerWaalsContact O-CG 3.25Å; Q178-N182 PolarHBondContact O-N 2.97Å; Q178-N182 PolarHBondContact O-OD1 3.38Å; P179-N182 PolarHBondContact O-N 3.4Å; T180-N182 VanDerWaalsContact C-N 3.29Å; T180-N182 PolarHBondContact O-N 3.46Å; N182-A185 PolarHBondContact O-N 3.01Å; N182-G186 PolarHBondContact O-N 3.5Å
183L90.6Very high83.3Confident40 Ų4072.2 Ų72.221%0.20940%0.401CS..Hα-helixtrans-61.1-45.5174.5-179.666.1000111L137 P179 T180 T181 A185 G186 C187L137-L183 HydrophobicContact CD2-CD2 4.01Å; P179-L183 PolarHBondContact O-N 2.9Å; T180-L183 WeakPolarHBondContact O-CB 3.43Å; T180-L183 PolarHBondContact O-N 2.89Å; T180-L183 VanDerWaalsContact O-N 3.16Å; T181-L183 VanDerWaalsContact C-N 3.35Å; T181-L183 PolarHBondContact O-N 3.46Å; L183-A185 PolarHBondContact O-N 2.92Å; L183-G186 PolarHBondContact O-N 2.84Å; L183-C187 WeakPolarHBondContact O-CB 3.46Å; L183-C187 PolarHBondContact O-N 2.87Å; L183-C187 PolarHBondContact O-SG 3.18Å; L183-C187 VanDerWaalsContact O-SG 3.35Å
184V90.3Very high81.4Confident1 Ų175.7 Ų75.71%0.00642%0.422CS..Hα-helixtrans-61.8-44.9178175.60000111.5C130 L145 L172 L176 T180 T181 G186 C187 L188C130-V184 HydrophobicContact CB-CG2 4.48Å; L145-V184 HydrophobicContact CD2-CG2 4.47Å; L172-V184 HydrophobicContact CB-CG1 4.49Å; L172-V184 HydrophobicContact CD1-CG1 4.46Å; L176-V184 HydrophobicContact CD1-CG2 4.39Å; T180-V184 WeakPolarHBondContact O-CG2 3.45Å; T180-V184 PolarHBondContact O-N 2.91Å; T181-V184 PolarHBondContact O-N 3.18Å; V184-G186 VanDerWaalsContact C-N 3.33Å; V184-G186 PolarHBondContact O-N 3.12Å; V184-C187 PolarHBondContact O-N 2.86Å; V184-L188 HydrophobicContact CG1-CD1 3.91Å; V184-L188 WeakPolarHBondContact O-CG 3.47Å; V184-L188 PolarHBondContact O-N 3.35Å; V184-L188 VanDerWaalsContact O-N 3.1Å
185A86.8Confident79.3Confident13 Ų1370.6 Ų70.611%0.10740%0.4CS..Hα-helixtrans-60.5-42.4175.800000112T181 N182 L183 L188 Q189 L190T181-A185 PolarHBondContact O-N 3.27Å; N182-A185 PolarHBondContact O-N 3.01Å; L183-A185 PolarHBondContact O-N 2.92Å; A185-L188 PolarHBondContact O-N 3.36Å; A185-Q189 PolarHBondContact O-N 3.43Å; A185-L190 PolarHBondContact O-N 3.5Å
186G84.9Confident77.1Confident54 Ų5474.3 Ų74.356%0.55741%0.406SS*.Hα-helixtrans-65-43.417700000113.3N182 L183 V184 L188 Q189N182-G186 PolarHBondContact O-N 3.5Å; L183-G186 PolarHBondContact O-N 2.84Å; V184-G186 VanDerWaalsContact C-N 3.33Å; V184-G186 PolarHBondContact O-N 3.12Å; G186-L188 VanDerWaalsContact C-N 3.29Å; G186-L188 PolarHBondContact O-N 2.95Å; G186-Q189 PolarHBondContact O-N 2.88Å
187C84.4Confident74.7Confident63 Ų6378.7 Ų78.743%0.42644%0.435SS..Hα-helixtrans-66.5-30.3178.5-72.30000113.2C130 L183 V184 Q189C130-C187 HydrophobicContact CB-CB 3.82Å; C130-C187 VanDerWaalsContact CB-SG 3.55Å; C130-C187 WeakPolarHBondContact SG-CB 3.43Å; L183-C187 WeakPolarHBondContact O-CB 3.46Å; L183-C187 PolarHBondContact O-N 2.87Å; L183-C187 PolarHBondContact O-SG 3.18Å; L183-C187 VanDerWaalsContact O-SG 3.35Å; V184-C187 PolarHBondContact O-N 2.86Å; C187-Q189 VanDerWaalsContact C-N 3.32Å
188L79.4Confident72.3Confident57 Ų5784.2 Ų84.230%0.29846%0.456SS..THydrogen-bonded Turntrans-91.97.3177.5-63.1174.6000112.9V169 L172 V184 A185 G186 L190V169-L188 HydrophobicContact CG2-CD1 3.49Å; V169-L188 VanDerWaalsContact CG2-CD1 3.49Å; L172-L188 HydrophobicContact CD1-CD1 4.3Å; V184-L188 HydrophobicContact CG1-CD1 3.91Å; V184-L188 WeakPolarHBondContact O-CG 3.47Å; V184-L188 PolarHBondContact O-N 3.35Å; V184-L188 VanDerWaalsContact O-N 3.1Å; A185-L188 PolarHBondContact O-N 3.36Å; G186-L188 VanDerWaalsContact C-N 3.29Å; G186-L188 PolarHBondContact O-N 2.95Å; L188-L190 HydrophobicContact CB-CD1 3.91Å; L188-L190 HydrophobicContact CB-CG 3.9Å; L188-L190 HydrophobicContact CD1-CD1 4.48Å; L188-L190 PolarHBondContact O-N 3.11Å; L188-L190 VanDerWaalsContact O-N 3.17Å
189Q70.8Confident69.8Low182 Ų18286.6 Ų86.685%0.8547%0.467SS*.THydrogen-bonded Turntrans5333.8-179.5-59.8171.222.800113.1A185 G186 C187A185-Q189 PolarHBondContact O-N 3.43Å; G186-Q189 PolarHBondContact O-N 2.88Å; C187-Q189 VanDerWaalsContact C-N 3.32Å
190L60.9Low66.9Low26 Ų2688.5 Ų88.514%0.13647%0.472CS..  trans-87.4130.9179.1-59.8175.3000109.2L165 V169 A185 L188 P192 F195L165-L190 HydrophobicContact CD1-CD2 4.37Å; L165-L190 HydrophobicContact CD2-CD2 3.53Å; L165-L190 HydrophobicContact CG-CD2 3.83Å; V169-L190 HydrophobicContact CB-CD1 3.88Å; V169-L190 HydrophobicContact CG1-CD1 3.82Å; V169-L190 HydrophobicContact CG2-CD1 3.15Å; A185-L190 PolarHBondContact O-N 3.5Å; L188-L190 HydrophobicContact CB-CD1 3.91Å; L188-L190 HydrophobicContact CB-CG 3.9Å; L188-L190 HydrophobicContact CD1-CD1 4.48Å; L188-L190 PolarHBondContact O-N 3.11Å; L188-L190 VanDerWaalsContact O-N 3.17Å; L190-P192 WeakPolarHBondContact O-CD 3.41Å; L190-P192 VanDerWaalsContact O-N 3.13Å; L190-F195 HydrophobicContact CB-CE2 4.26Å; L190-F195 HydrophobicContact CD1-CE2 4.04Å; L190-F195 HydrophobicContact CD1-CZ 4.34Å
191N48.7Very low64.1Low124 Ų12495.9 Ų95.966%0.66351%0.506SS*.  trans-55.7119.8172.4-86.2-64.6000109.1R193 T194N191-R193 PolarHBondContact O-N 2.96Å; N191-T194 PolarHBondContact O-N 3.32Å; N191-T194 VanDerWaalsContact O-N 3.15Å; N191-T194 PolarHBondContact O-OG1 3.38Å
192P53.6Low61.6Low95 Ų95102 Ų10262%0.61754%0.537SS*.G310 helixtrans-63.2-10.5-17523.4-33.2000113.5L190L190-P192 WeakPolarHBondContact O-CD 3.41Å; L190-P192 VanDerWaalsContact O-N 3.13Å
193R51.9Low59.2Low210 Ų210106 Ų10679%0.79256%0.555SS**G310 helixtrans-77.5-13.5178.2-75.8-82.1-92.5144.8-5.6114.5N191N191-R193 PolarHBondContact O-N 2.96Å
194T56Low56.8Low92 Ų92108.8 Ų108.856%0.56458%0.576SS**G310 helixtrans-84.4-4.6-177.649.20000114.8N191N191-T194 PolarHBondContact O-N 3.32Å; N191-T194 VanDerWaalsContact O-N 3.15Å; N191-T194 PolarHBondContact O-OG1 3.38Å
195F52.1Low54.8Low53 Ų53114.9 Ų114.923%0.23262%0.616CS.*  trans-13212.8-170.8-61.6-81.7000115.7V166 V169 Q170 L190 P197V166-F195 HydrophobicContact CB-CE1 4.15Å; V166-F195 HydrophobicContact CB-CZ 4.17Å; V166-F195 HydrophobicContact CG1-CD1 4.47Å; V166-F195 HydrophobicContact CG1-CE1 3.48Å; V166-F195 VanDerWaalsContact CG1-CE1 3.48Å; V166-F195 HydrophobicContact CG1-CZ 3.96Å; V166-F195 HydrophobicContact CG2-CE1 4.44Å; V166-F195 HydrophobicContact CG2-CZ 4.07Å; V169-F195 HydrophobicContact CB-CZ 4.29Å; V169-F195 HydrophobicContact CG1-CZ 4.3Å; Q170-F195 HydrophobicContact CG-CD1 4.06Å; Q170-F195 HydrophobicContact CG-CE1 3.92Å; L190-F195 HydrophobicContact CB-CE2 4.26Å; L190-F195 HydrophobicContact CD1-CE2 4.04Å; L190-F195 HydrophobicContact CD1-CZ 4.34Å; F195-P197 WeakPolarHBondContact O-CD 3.25Å
196L49.6Very low52.7Low132 Ų132122.2 Ų122.269%0.69165%0.647SS**  trans-66.1117.8165.8-83.8165.6000107.9E198L196-E198 PolarHBondContact O-N 2.88Å
197P47.3Very low50.8Low112 Ų112127.3 Ų127.373%0.72766%0.661SS**  trans-62.3122.6171.8-13.328.6000107F195 Q199F195-P197 WeakPolarHBondContact O-CD 3.25Å; P197-Q199 PolarHBondContact O-N 3.46Å
198E45.5Very low49.1Very low162 Ų162129.6 Ų129.676%0.75768%0.675SS**  trans-52.2104.5166.9-173-171.3111.300108.2L196 N200L196-E198 PolarHBondContact O-N 2.88Å; E198-N200 PolarHBondContact O-N 2.99Å
199Q41.2Very low47.7Very low175 Ų175133.6 Ų133.682%0.81870%0.702SS**  trans-80.895.4176.7-172.8173.915.200108P197P197-Q199 PolarHBondContact O-N 3.46Å
200N33.3Very low46.1Very low134 Ų134129.4 Ų129.472%0.71770%0.698SS**  trans50.499158.7-60-60.3000117.6E198E198-N200 PolarHBondContact O-N 2.99Å
201Q34.5Very low45.6Very low169 Ų169133.8 Ų133.879%0.7973%0.731SS**  trans-101.692.8150.8-68.9-169.92500109.9
202D40.4Very low45.1Very low159 Ų159131.7 Ų131.785%0.8573%0.731SS**  trans-94.494.2154.4-105.8-59.6000107.4
203M40.9Very low44.4Very low172 Ų172132.7 Ų132.785%0.84774%0.74SS**  trans-157.7135162.2-156.657.3147.900110.3
204P40Very low43.8Very low100 Ų100132.6 Ų132.665%0.64975%0.746SS**  trans-81.1166.5-159.133.9-35.6000113.9
205P49.3Very low43.3Very low129 Ų129133.5 Ų133.584%0.83875%0.754SS**  trans-86.2127.5-159.333.3-31.4000112.2
206H42.4Very low42.9Very low166 Ų166137.4 Ų137.477%0.76978%0.782SS**  trans-157.1126.214563.7-76.2000113.1
207L44.1Very low42.4Very low162 Ų162139.3 Ų139.385%0.84879%0.786SS**  trans79152.1153.3-78.5145.1000119.2
208P49.6Very low42.5Very low111 Ų111138.7 Ų138.772%0.72178%0.782SS**  -111.6168-117.937.1-25.6000114.5A210P208-A210 PolarHBondContact O-N 3.17Å
209T49Very low42.1Very low141 Ų141142 Ų14287%0.86579%0.79SS**  trans-26.8122.7161.7-88.20000113.5
210A38.3Very low42Very low93 Ų93139.5 Ų139.577%0.76979%0.791SS**  trans-130.3103.1158.900000108.4P208 A212P208-A210 PolarHBondContact O-N 3.17Å; A210-A212 PolarHBondContact O-N 3.06Å
211S50.2Low42.3Very low118 Ų118144.3 Ų144.383%0.82580%0.801SS**  trans-56.4124.3152.252.60000108.5
212A37.1Very low42.7Very low80 Ų80144.7 Ų144.766%0.66180%0.803SS**  trans-144.3103.5167.600000110.4A210A210-A212 PolarHBondContact O-N 3.06Å
213S40.8Very low42.5Very low117 Ų117142.1 Ų142.182%0.81880%0.797SS**  trans-43133.7151.7-57.90000110.4P215S213-P215 WeakPolarHBondContact O-CD 3.47Å
214F37.6Very low43.1Very low207 Ų207139.4 Ų139.491%0.90879%0.792SS**PPolyproline II helixtrans-78.1125171.5-67.4-83000110.3
215P45.7Very low43.2Very low112 Ų112138.3 Ų138.373%0.72780%0.799SS**PPolyproline II helixtrans-94.1128.6160.78.911.5000109.8S213S213-P215 WeakPolarHBondContact O-CD 3.47Å
216V43.5Very low43.1Very low135 Ų135140 Ų14082%0.81880%0.8SS**PPolyproline II helixtrans-69.9120.5166.6172.70000108.5
217H40.8Very low43.4Very low171 Ų171137.8 Ų137.879%0.79280%0.801SS**  trans-144.7151.8153.2-80.6-55.6000113.1
218P49.5Very low43.4Very low99 Ų99135.4 Ų135.464%0.64380%0.798SS**  trans-107.1125.9-164.734.9-20.3000111.5
219Y35.7Very low43.4Very low233 Ų233135.9 Ų135.991%0.91480%0.801SS**  trans-145123.6160.2-84.7-73.8000112
220S40.3Very low43.7Very low121 Ų121135 Ų13585%0.84680%0.798SS**  trans-62.2133.1170.1-48.70000110.9
221Y38.7Very low43.9Very low235 Ų235141.9 Ų141.992%0.92281%0.805SS**  trans-128.8131.2158-137.1-94000109
222Q43.1Very low43.6Very low178 Ų178139.3 Ų139.383%0.83280%0.798SS**  trans-106.1143.1-173.9-168.1167.233.100109.3
223S36.5Very low44.2Very low105 Ų105141 Ų14173%0.73480%0.8SS**  trans94154.1155.6-144.20000118.6
224P53Low44.2Very low114 Ų114143.3 Ų143.374%0.7480%0.799SS**  cis-123.8156.8-21.114.39.5000113.3
225G41.8Very low44.2Very low77 Ų77139.9 Ų139.979%0.79479%0.791SS**  trans-75.8151.8-178.400000115.6
226L46.8Very low44.2Very low165 Ų165140.3 Ų140.386%0.86480%0.797SS**  trans-122.3145161.6-78.2169.1000109
227P50Low44.3Very low119 Ų119137.6 Ų137.677%0.77378%0.784SS**PPolyproline II helixtrans-83.9138.8-163.431.9-34.8000114.1
228S43.4Very low44.3Very low112 Ų112137.7 Ų137.778%0.78378%0.784SS**PPolyproline II helixtrans-75143.9169.5-48.30000111.7
229P49.5Very low44.2Very low121 Ų121139.2 Ų139.279%0.78679%0.791SS**PPolyproline II helixtrans-75.4145.2171.3-10.126000111.9
230P54.9Low44.4Very low124 Ų124137 Ų13781%0.80579%0.787SS**PPolyproline II helixtrans-84.2126.8-178.533.1-30.8000110.6
231Y42.2Very low44.4Very low237 Ų237139.5 Ų139.593%0.92978%0.784SS**  trans-97.8105.3158.4-119.1-90.3000108.7
232G43.8Very low44.3Very low64 Ų64135.1 Ų135.166%0.6678%0.782SS**  trans-75.5148.9173.100000111.8
233T50.8Low44.4Very low116 Ų116135.5 Ų135.571%0.71278%0.781SS**  trans-66.1149.1169.568.80000110.7
234M41.6Very low44.8Very low164 Ų164135.8 Ų135.881%0.80878%0.78SS**  trans-175.6112.8133.7-94.6-54.496.400111.5
235D36.6Very low44.5Very low135 Ų135136 Ų13672%0.72278%0.781SS**  31126.8128.4-151.8-118.2000120.9
236S45.1Very low45Very low122 Ų122137 Ų13785%0.85377%0.774SS**  trans-98.5109.8172.2-80.80000110.6
237S45.8Very low44.5Very low78 Ų78137.8 Ų137.855%0.54577%0.773SS.*  trans-160.6123.315159.90000109.7
238H40.5Very low43.8Very low173 Ų173136.3 Ų136.380%0.80177%0.771SS**  173.5111.2124.7-85.5-59.1000110.3
239V48.2Very low43.4Very low130 Ų130141.5 Ų141.579%0.78878%0.775SS**  trans-78.5136.2163.7-142.10000107.6
240F38.9Very low42.5Very low188 Ų188140.9 Ų140.983%0.82577%0.773SS**  trans-163.4115.2141.7-85.9-62.8000112.4
241H41.6Very low41.4Very low172 Ų172139.2 Ų139.280%0.79677%0.77SS**  trans29.2130.1133.8-90.470.4000120.9
242V37.1Very low41.1Very low143 Ų143132 Ų13287%0.86776%0.759SS**  -163.5140.1109.2-179.90000110.3
243K44Very low40.8Very low186 Ų186136.6 Ų136.681%0.80977%0.768SS**  trans-97.6147.7176.6177.3170.2-179.3158.40111.8
244P44.6Very low40.4Very low111 Ų111139.9 Ų139.972%0.72178%0.775SS**  trans-136.1171.4143.120.42.3000115.3
245P48.1Very low40.5Very low118 Ų118137.5 Ų137.577%0.76677%0.772SS**  trans-94.3-178.1-156.5-0.623000116.3
246P52.3Low40.3Very low99 Ų99139.7 Ų139.764%0.64378%0.775SS**  trans-93.1168.9-163.337.2-32.4000114.8
247H35.6Very low39.9Very low181 Ų181143.7 Ų143.784%0.83878%0.777SS**  trans92.6106171.5-50-65.7000116.7
248A34.3Very low39.3Very low88 Ų88147.9 Ų147.973%0.72779%0.789SS**  158.7127.2110.100000112.2
249Y36Very low39Very low222 Ų222144.5 Ų144.587%0.87178%0.784SS**  trans55.2110.8143.4-78.4-95.8000121.2
250S31Very low39Very low107 Ų107143.9 Ų143.975%0.74878%0.783SS**  58117115.9-162.30000119.6
251A32Very low39.1Very low89 Ų89142.5 Ų142.574%0.73678%0.783SS**  trans91.2127.2142.200000119.5
252A34.3Very low38.9Very low85 Ų85140.3 Ų140.370%0.70278%0.782SS**  trans84117.4134.200000118.9
253L38.2Very low38.8Very low161 Ų161141 Ų14184%0.84378%0.781SS**  trans74.6105.4140.3-59.4167.2000117.3P255L253-P255 WeakPolarHBondContact O-CD 3.35Å
254E42.3Very low38.6Very low185 Ų185138 Ų13886%0.86478%0.782SS**  trans-30.2131.7145.1-91.3-91.3159.300113.5
255P44.2Very low38.7Very low114 Ų114139.2 Ų139.274%0.7479%0.788SS**  trans-131.7114.314425.2-4.7000111.6L253L253-P255 WeakPolarHBondContact O-CD 3.35Å
256F31.4Very low38.2Very low181 Ų181139 Ų13979%0.79479%0.789SS**  61106.3112.9-143.2-97.9000117.4
257F37Very low38Very low206 Ų206140.1 Ų140.190%0.90480%0.796SS**  trans-59.2133158.3-114-99.7000110.8
258E34.1Very low38.8Very low167 Ų167137.5 Ų137.578%0.7880%0.798SS**  trans-107.7143172.7-157.3-175.5168.200111
259S33.5Very low39.3Very low101 Ų101142.4 Ų142.471%0.70680%0.804SS**  trans90.3149.6157.7-65.90000120.7
260P47.6Very low40.3Very low118 Ų118139 Ų13977%0.76680%0.801SS**  cis-134.1168.5-18.531.9-10.4000116
261L42.8Very low41.6Very low158 Ų158135.6 Ų135.683%0.82778%0.782SS**  trans-7.4135.4160.9-75157.8000120.4
262T36.4Very low42.7Very low127 Ų127137.3 Ų137.378%0.77979%0.786SS**  176.8130.8105.626.90000114
263D35.4Very low43.8Very low158 Ų158140.9 Ų140.985%0.84579%0.792SS**  trans48.1124.2153.1-68.4-51.9000124.7
264C40Very low44.9Very low123 Ų123138.4 Ų138.483%0.83179%0.789SS**  trans-87139.5-175.9-51.60000113
265T45Very low45.5Very low135 Ų135135 Ų13583%0.82878%0.783SS**  trans177.3110.8137166.70000111
266S38.5Very low46Very low115 Ų115135 Ų13580%0.80478%0.782SS**  trans167.3154.5149.4-77.50000111.8
267P47.6Very low47Very low121 Ų121135 Ų13579%0.78679%0.789SS**  -97.5164.8-128.137.2-37.4000116.1F269P267-F269 PolarHBondContact O-N 3.34Å
268S52.1Low47.8Very low126 Ų126130.5 Ų130.588%0.88178%0.784SS**  trans-43.4116.5177-44.80000114.2
269F45.8Very low48.6Very low191 Ų191130.6 Ų130.684%0.83879%0.788SS**  trans-103.1104.6164-172.8-99.7000108.6P267 G271P267-F269 PolarHBondContact O-N 3.34Å; F269-G271 PolarHBondContact O-N 2.99Å
270D56.9Low48.9Very low152 Ų152133.1 Ų133.181%0.81379%0.793SS**  trans-78.899.1174-15725.8000107.8
271G58.7Low48.9Very low35 Ų35131.2 Ų131.236%0.36180%0.796SS.*PPolyproline II helixtrans-74.8145.4175.800000110.7F269 L273F269-G271 PolarHBondContact O-N 2.99Å; G271-L273 PolarHBondContact O-N 3.18Å; G271-L273 VanDerWaalsContact O-N 3.1Å
272P53.7Low48.9Very low125 Ų125131.1 Ų131.181%0.81280%0.796SS**PPolyproline II helixtrans-66.3118.2-174.427.2-32.5000110.4S274P272-S274 PolarHBondContact O-N 3.02Å
273L58.3Low49.1Very low160 Ų160134.6 Ų134.684%0.83880%0.8SS**PPolyproline II helixtrans-54.2119.9169.6-64.4171.4000108.9G271G271-L273 PolarHBondContact O-N 3.18Å; G271-L273 VanDerWaalsContact O-N 3.1Å
274S62.1Low49.3Very low109 Ų109131.7 Ų131.776%0.76279%0.792SS**PPolyproline II helixtrans-61132170.6-58.20000108.9P272P272-S274 PolarHBondContact O-N 3.02Å
275P53.5Low49.4Very low114 Ų114134.6 Ų134.674%0.7479%0.791SS**PPolyproline II helixtrans-68.9143.4-179.327.1-32000110.4L277P275-L277 PolarHBondContact O-N 2.74Å
276P55.4Low49.1Very low112 Ų112137.6 Ų137.673%0.72779%0.793SS**PPolyproline II helixtrans-67131.7-179.326.7-33.1000110.8S278P276-S278 PolarHBondContact O-N 3.5Å; P276-S278 PolarHBondContact O-OG 3.28Å
277L52.5Low48.8Very low181 Ų181140.3 Ų140.395%0.94879%0.793SS**  trans-61.9105.5171-66.3174.7000109.1P275 I279P275-L277 PolarHBondContact O-N 2.74Å; L277-I279 PolarHBondContact O-N 3.04Å
278S53.3Low48.1Very low112 Ų112142.6 Ų142.678%0.78379%0.793SS**  trans-82.2102.5176.4-18.40000108.5P276 N280P276-S278 PolarHBondContact O-N 3.5Å; P276-S278 PolarHBondContact O-OG 3.28Å; S278-N280 VanDerWaalsContact C-N 3.32Å; S278-N280 PolarHBondContact O-N 3.12Å
279I51.8Low47.3Very low169 Ų169141.5 Ų141.587%0.86778%0.783SS**  trans-83.781.7167.5-129.6161000107.5L277L277-I279 PolarHBondContact O-N 3.04Å
280N39.3Very low46.6Very low154 Ų154138.1 Ų138.182%0.82478%0.783SS**  trans-124102.2164.9-100.223.2000107.9S278 N282S278-N280 VanDerWaalsContact C-N 3.32Å; S278-N280 PolarHBondContact O-N 3.12Å; N280-N282 PolarHBondContact O-N 2.61Å
281G48.7Very low45.8Very low79 Ų79134.8 Ų134.881%0.81478%0.776SS**  trans-65.6117.5174.700000110.6
282N41.3Very low45Very low155 Ų155141.8 Ų141.883%0.82980%0.8SS**  trans-127.766.8171.4-128.753.7000108.9N280 S284N280-N282 PolarHBondContact O-N 2.61Å; N282-S284 PolarHBondContact O-N 3.48Å
283F40.7Very low44Very low200 Ų200144.3 Ų144.388%0.87780%0.798SS**  trans-79.390.1161.3-102.1-87.7000107.7F285F283-F285 PolarHBondContact O-N 3.31Å
284S39.2Very low43.1Very low97 Ų97145.1 Ų145.168%0.67880%0.798SS**  trans-87101.3166-161.90000107.8N282 K286N282-S284 PolarHBondContact O-N 3.48Å; S284-K286 PolarHBondContact O-N 3.26Å
285F42Very low41.9Very low184 Ų184147.3 Ų147.381%0.80779%0.793SS**  trans-63.4110.4164.1-107.1-95.7000107.8F283 H287F283-F285 PolarHBondContact O-N 3.31Å; F285-H287 PolarHBondContact O-N 3.19Å
286K39.6Very low41.2Very low199 Ų199149 Ų14987%0.86580%0.796SS**  trans-75.9106.8161.8-74.2-141.7170.6-172.60107.9S284 E288S284-K286 PolarHBondContact O-N 3.26Å; K286-E288 PolarHBondContact O-N 2.92Å
287H32.4Very low40.1Very low172 Ų172153.7 Ų153.780%0.79680%0.801SS**  trans-70.7105.1170.1-164.4-79.1000108.3F285F285-H287 PolarHBondContact O-N 3.19Å
288E32Very low39.3Very low168 Ų168149.6 Ų149.679%0.78579%0.793SS**  trans-87.6126.3162.9-167.6-164.5163.300107.7K286 S290K286-E288 PolarHBondContact O-N 2.92Å; E288-S290 PolarHBondContact O-N 3.02Å
289P36.1Very low38.3Very low104 Ų104153.2 Ų153.268%0.67580%0.795SS**  trans-78.5109.3174.130.6-28.7000109.4A291P289-A291 PolarHBondContact O-N 2.85Å
290S30.8Very low37.7Very low120 Ų120149.9 Ų149.984%0.83978%0.783SS**  trans-79.5115.1168.2-155.10000108.7E288E288-S290 PolarHBondContact O-N 3.02Å
291A40.7Very low37.8Very low81 Ų81149.3 Ų149.367%0.66978%0.777SS**  trans-99.6135.1169.400000109.2P289P289-A291 PolarHBondContact O-N 2.85Å
292E42.2Very low37.3Very low183 Ų183153.4 Ų153.486%0.85577%0.774SS**  trans74.193.3157.9-60.3172.4-173.100118.4
293F31.5Very low37.2Very low178 Ų178156.5 Ų156.578%0.78178%0.776SS**  -166.6101.9115-134.5-105.6000111.1K295F293-K295 HydrophobicContact CE1-CD 4.09Å
294E39Very low37.4Very low177 Ų177152.9 Ų152.983%0.82777%0.773SS**  trans-81.9124.5165.7-168178-151.600108
295K37.9Very low37.2Very low155 Ų155152.8 Ų152.867%0.67478%0.778SS**  trans-171.6107.1153.8-103.2154.6-165.6-177.90111.4F293F293-K295 HydrophobicContact CE1-CD 4.09Å
296N38.5Very low37.1Very low150 Ų150148.9 Ų148.980%0.80278%0.779SS**  trans-53.6136.3166.7-64.4-1.2000111.4
297Y33Very low36.9Very low210 Ų210146.1 Ų146.182%0.82478%0.779SS**  trans-129.3111155.3-82.7-79000110.3
298A35.8Very low37.1Very low94 Ų94146.1 Ų146.178%0.77778%0.784SS**  trans-71130.6162.200000108.7T300A298-T300 PolarHBondContact O-N 3.19Å
299F32Very low37.3Very low188 Ų188143.1 Ų143.183%0.82579%0.788SS**  trans-84.2104.1178.3-137.5-94.5000109.1M301F299-M301 HydrophobicContact CD1-CG 4.48Å; F299-M301 HydrophobicContact CD1-SD 3.86Å; F299-M301 HydrophobicContact CE1-SD 3.61Å
300T39.6Very low37.1Very low100 Ų100142.1 Ų142.161%0.61380%0.797SS**  trans-106.1126.7165.8-680000108A298 H302A298-T300 PolarHBondContact O-N 3.19Å; T300-H302 WeakPolarHBondContact CG2-NE2 3.48Å
301M39.9Very low37.2Very low141 Ų141141 Ų14170%0.69580%0.795SS**  trans-85.5119.6-178.9-65.4-73.9-84.600110.1F299F299-M301 HydrophobicContact CD1-CG 4.48Å; F299-M301 HydrophobicContact CD1-SD 3.86Å; F299-M301 HydrophobicContact CE1-SD 3.61Å
302H38.7Very low36.9Very low166 Ų166146 Ų14677%0.76980%0.804SS**  trans-121.6118.9169.8-72-71.1000110.1T300T300-H302 WeakPolarHBondContact CG2-NE2 3.48Å
303Y39.3Very low36.5Very low220 Ų220141.7 Ų141.786%0.86380%0.795SS**PPolyproline II helixtrans-79.4138.9167.7-91.1-92.7000110.1
304P46.1Very low36.9Very low124 Ų124142.9 Ų142.981%0.80580%0.802SS**PPolyproline II helixtrans-94.5124.7170.333.4-25.7000110.9
305A33.7Very low36.6Very low95 Ų95138.2 Ų138.279%0.78580%0.802SS**PPolyproline II helixtrans-86.4139.1163.900000110
306A40.9Very low36.5Very low102 Ų102135.9 Ų135.984%0.84380%0.804SS**PPolyproline II helixtrans-68.5135178.400000112
307T34.6Very low36.5Very low141 Ų141136.1 Ų136.187%0.86580%0.804SS**  trans-141.6147.8161.849.80000111.7
308L37.3Very low36.6Very low172 Ų172136.1 Ų136.190%0.90181%0.809SS**  trans-74.4159-171-96.896.8000115
309A35.1Very low36.5Very low105 Ų105136.7 Ų136.787%0.86881%0.807SS**  trans90.5137.1142.600000120.1
310G31.5Very low36.6Very low83 Ų83131 Ų13186%0.85680%0.802SS**  trans130.2102147.700000115.6
311A33.5Very low36.3Very low96 Ų96132.8 Ų132.879%0.79381%0.812SS**  trans-77.2160.8178.800000114.4
312Q35.2Very low36.1Very low185 Ų185131.1 Ų131.186%0.86482%0.822SS**  trans150.497.9138.2-82.4176.75.400110
313S33Very low36.1Very low94 Ų94127.8 Ų127.866%0.65782%0.822SS**  73.7104.391.473.70000115.2
314H39.8Very low36.3Very low203 Ų203122.6 Ų122.694%0.9482%0.816SS**  trans-156.4123.4138.9-83.9-68.2000108.3
315G32.8Very low35.8Very low79 Ų79128.8 Ų128.881%0.81482%0.823SS**  trans-93.8155.5176.400000112.4
316S35.4Very low35.7Very low105 Ų105129.8 Ų129.873%0.73482%0.823SS**  176.7107123-175.10000112
317I39Very low35.6Very low155 Ų155133.9 Ų133.980%0.79583%0.825SS**  trans32.6110.9133.2-17.3171000119.6
318F36.3Very low35.9Very low211 Ų211134.3 Ų134.393%0.92582%0.82SS**  -150.3135.7127.9-149.2-97.5000110.8
319S33.8Very low35.8Very low105 Ų105131.4 Ų131.473%0.73481%0.812SS**  trans-88.7141.9-175-175.90000111.2
320G32.8Very low36.4Very low70 Ų70134.2 Ų134.272%0.72281%0.811SS**  trans-173.180.7177.300000113
321T34.8Very low37Very low136 Ų136137.5 Ų137.583%0.83481%0.808SS**  trans-12.9123.1163.753.40000119.6
322A35.1Very low37Very low107 Ų107139.9 Ų139.988%0.88481%0.808SS**  171.7127.8117.800000111.7
323A38.8Very low37.6Very low95 Ų95139.1 Ų139.179%0.78581%0.808SS**  trans-89.1-172.1-174.600000113.1
324P43.7Very low37.9Very low112 Ų112142.2 Ų142.273%0.72781%0.814SS**  -124.8146.4-62.232.9-18000111.5
325R35.3Very low37.9Very low253 Ų253138.3 Ų138.396%0.95581%0.81SS**  trans-81.6115.6160.5-79.4-176.7179.5158.60.2107.9E327R325-E327 PolarHBondContact O-N 3.14Å
326C31.6Very low38Very low116 Ų116142.3 Ų142.378%0.78481%0.805SS**  trans-68.6116.3170.7-74.70000110
327E37.4Very low38.3Very low189 Ų189145 Ų14588%0.88381%0.811SS**  trans-84.2136.3153.4-74.7-130.6145.500108.8R325R325-E327 PolarHBondContact O-N 3.14Å
328I41.9Very low38.6Very low149 Ų149142.6 Ų142.676%0.76481%0.808SS**  trans-110.8127.1174-60.9178.4000108
329P35.6Very low39.1Very low112 Ų112138.3 Ų138.373%0.72779%0.791SS**  trans-69.8142.6177.6-14.128.5000112.4D331P329-D331 PolarHBondContact O-N 3.46Å
330I47.8Very low39.9Very low164 Ų164137.5 Ų137.584%0.84179%0.785SS**  trans-93.570.9-177.6-33.2166.1000109.4
331D43.4Very low40.5Very low151 Ų151141.2 Ų141.281%0.80778%0.783SS**  trans-148.478.8172.9-77.2-56.4000110.6P329P329-D331 PolarHBondContact O-N 3.46Å
332N32.7Very low41.1Very low146 Ų146140.7 Ų140.778%0.78177%0.771SS**  trans-165.883.8150.7-13130.5000111.4
333I49.5Very low41.8Very low169 Ų169142.5 Ų142.587%0.86776%0.761SS**  trans-81.2112.2159.8-78.1163.3000106.8
334M39.6Very low42.4Very low159 Ų159145.9 Ų145.978%0.78375%0.754SS**  trans-120.9123.6164.6-72.8-123.7121.700109.1
335S37.8Very low42.9Very low122 Ų122144.6 Ų144.685%0.85374%0.743SS**  trans-53.3134.4-179-59.70000113
336F35.8Very low43.8Very low163 Ų163136.5 Ų136.572%0.71572%0.717SS**  trans-104.493-178.3-150.8-96.8000109.5H339F336-H339 AromaticContact CE1-CD2 3.35Å; F336-H339 WeakPolarHBondContact CE1-CD2 3.42Å; F336-H339 AromaticContact CE1-CE1 3.5Å; F336-H339 AromaticContact CE1-CG 3.75Å; F336-H339 AromaticContact CE1-ND1 3.83Å; F336-H339 AromaticContact CE1-NE2 3.19Å; F336-H339 WeakPolarHBondContact CE1-NE2 3.47Å; F336-H339 AromaticContact CZ-CD2 3.84Å; F336-H339 AromaticContact CZ-CE1 3.3Å; F336-H339 WeakPolarHBondContact CZ-CE1 3.4Å; F336-H339 AromaticContact CZ-NE2 3.13Å; F336-H339 WeakPolarHBondContact CZ-NE2 3.46Å
337D42.3Very low44.6Very low161 Ų161133.9 Ų133.986%0.86170%0.7SS**  trans-140.687.6164.3-169.220.6000109.6
338S45.5Very low45.3Very low105 Ų105127.9 Ų127.973%0.73468%0.683SS**  trans-172.974.2159.5-157.60000110.5
339H45.4Very low45.7Very low121 Ų121127 Ų12756%0.5668%0.675SS**  trans-125.72179.3-93.417.8000116F336 H341F336-H339 AromaticContact CE1-CD2 3.35Å; F336-H339 WeakPolarHBondContact CE1-CD2 3.42Å; F336-H339 AromaticContact CE1-CE1 3.5Å; F336-H339 AromaticContact CE1-CG 3.75Å; F336-H339 AromaticContact CE1-ND1 3.83Å; F336-H339 AromaticContact CE1-NE2 3.19Å; F336-H339 WeakPolarHBondContact CE1-NE2 3.47Å; F336-H339 AromaticContact CZ-CD2 3.84Å; F336-H339 AromaticContact CZ-CE1 3.3Å; F336-H339 WeakPolarHBondContact CZ-CE1 3.4Å; F336-H339 AromaticContact CZ-NE2 3.13Å; F336-H339 WeakPolarHBondContact CZ-NE2 3.46Å; H339-H341 PolarHBondContact O-N 3.21Å
340S50.5Low46.4Very low87 Ų87126.8 Ų126.861%0.60867%0.668SS**Hα-helixtrans-75.4-23.8-178.6-176.30000114.5
341H45.8Very low46.4Very low148 Ų148124.4 Ų124.469%0.68566%0.657SS**Hα-helixtrans-90.7-22.1-171.3-134.3-69.7000114.1H339H339-H341 PolarHBondContact O-N 3.21Å
342H47Very low46.8Very low125 Ų125120.6 Ų120.658%0.57965%0.646SS**Hα-helixtrans-81.3-36-178.3-167.758.8000112.5R344 V345 M346H342-R344 PolarHBondContact O-N 2.84Å; H342-V345 PolarHBondContact O-N 3.24Å; H342-M346 WeakPolarHBondContact CE1-CE 3.37Å; H342-M346 PolarHBondContact O-N 3.26Å
343E49.4Very low47.8Very low146 Ų146119.7 Ų119.768%0.68264%0.64SS**Hα-helixtrans-61.2-43.2177.2-86.6-142.7129.900112.5V345 M346 S347E343-V345 PolarHBondContact O-N 3.13Å; E343-M346 PolarHBondContact O-N 3Å; E343-M346 VanDerWaalsContact O-N 3.12Å; E343-S347 PolarHBondContact O-N 3.1Å; E343-S347 PolarHBondContact O-OG 3.31Å
344R53.5Low48Very low166 Ų166119.4 Ų119.463%0.62663%0.633SS**Hα-helixtrans-60.9-32.9-177.1-111.1-176.8-71.8-159.5-2.9113.6H342 A348H342-R344 PolarHBondContact O-N 2.84Å; R344-A348 PolarHBondContact O-N 3.17Å
345V54Low48.5Very low85 Ų85119.9 Ų119.952%0.51563%0.633SS.*Hα-helixtrans-75.6-37.8179.1-179.80000110.6H342 E343 A348 Q349H342-V345 PolarHBondContact O-N 3.24Å; E343-V345 PolarHBondContact O-N 3.13Å; V345-A348 PolarHBondContact O-N 3.18Å; V345-Q349 PolarHBondContact O-N 3.31Å
346M53.4Low48.6Very low83 Ų83125.1 Ų125.141%0.40965%0.651SS.*Hα-helixtrans-71.7-37.2178.4-66.5-6416600112.3H342 E343 A348 Q349 L350H342-M346 WeakPolarHBondContact CE1-CE 3.37Å; H342-M346 PolarHBondContact O-N 3.26Å; E343-M346 PolarHBondContact O-N 3Å; E343-M346 VanDerWaalsContact O-N 3.12Å; M346-A348 VanDerWaalsContact C-N 3.34Å; M346-A348 PolarHBondContact O-N 3.38Å; M346-Q349 PolarHBondContact O-N 3.44Å; M346-L350 PolarHBondContact O-N 3.2Å; M346-L350 VanDerWaalsContact O-N 3.16Å
347S49.3Very low49.2Very low61 Ų61123.2 Ų123.243%0.42765%0.648SS.*Hα-helixtrans-64.5-37.8175.3-44.10000112.3E343 N351E343-S347 PolarHBondContact O-N 3.1Å; E343-S347 PolarHBondContact O-OG 3.31Å; S347-N351 PolarHBondContact O-N 3.19Å
348A51.7Low49.6Very low62 Ų62121.2 Ų121.251%0.51264%0.637SS.*Hα-helixtrans-68.6-36.6178.100000112.2R344 V345 M346 A352R344-A348 PolarHBondContact O-N 3.17Å; V345-A348 PolarHBondContact O-N 3.18Å; M346-A348 VanDerWaalsContact C-N 3.34Å; M346-A348 PolarHBondContact O-N 3.38Å; A348-A352 PolarHBondContact O-N 3.27Å
349Q50.2Low49.8Very low130 Ų130122.1 Ų122.161%0.60763%0.631SS**Hα-helixtrans-73.3-31.1179.7-164.4170.51300112.8V345 M346V345-Q349 PolarHBondContact O-N 3.31Å; M346-Q349 PolarHBondContact O-N 3.44Å
350L50.7Low50.1Low108 Ų108122.2 Ų122.257%0.56564%0.635SS**Hα-helixtrans-75.4-31.8175.2-74.2170.3000113M346 F354M346-L350 PolarHBondContact O-N 3.2Å; M346-L350 VanDerWaalsContact O-N 3.16Å; L350-F354 WeakPolarHBondContact O-CD2 3.36Å
351N46.7Very low50Low115 Ų115124.4 Ų124.462%0.61564%0.637SS**Hα-helixtrans-73.3-26177.4-78.5-18.9000113.5S347 I353 F354S347-N351 PolarHBondContact O-N 3.19Å; N351-I353 PolarHBondContact O-N 3.37Å; N351-F354 PolarHBondContact O-N 3.09Å
352A52.9Low50.3Low71 Ų71122.8 Ų122.859%0.58763%0.634SS**THydrogen-bonded Turntrans-69.6-14.6177.800000113.8A348A348-A352 PolarHBondContact O-N 3.27Å
353I52.7Low50.6Low126 Ų126122.6 Ų122.665%0.64664%0.638SS**THydrogen-bonded Turntrans-82.1-17.6-179.4-59.8171.2000111.6N351N351-I353 PolarHBondContact O-N 3.37Å
354F54.3Low50.7Low163 Ų163120.8 Ų120.872%0.71563%0.634SS**SBendtrans-105.1-0.9-174-69.2-79.6000114.5L350 N351L350-F354 WeakPolarHBondContact O-CD2 3.36Å; N351-F354 PolarHBondContact O-N 3.09Å
355H48.8Very low50.4Low169 Ų169117.1 Ų117.178%0.78264%0.635SS**  trans-140.676.3177.6-74.5-67.3000110.8
356D40.3Very low50.1Low232 Ų232120 Ų120100%1.24165%0.646SS**  trans-144.50146.5-148-57.8000108.5

Retrieved 356 of 356 residues in 44.3 ms (Link to these results)