A0A096M7M6_POEFO Loading...

Centrosomal protein 78

AlphaFold DB , UniProt , Accession A0A096M7M6, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 399 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
1M49.2Very low57.3Low238 Ų238120 Ų120100%1.17267%0.674SS**  0139.90-171.4-177.9-72.800107.8
2I55.6Low57.4Low85 Ų85128.8 Ų128.844%0.43669%0.689SS.*  trans-104.9111.3-170-60.9177.8000110.5W4 R5I2-W4 VanDerWaalsContact CG2-CD1 3.44Å; I2-W4 HydrophobicContact CG2-CD2 4.03Å; I2-W4 HydrophobicContact CG2-CG 3.92Å; I2-W4 HydrophobicContact CG2-CZ2 4.34Å; I2-W4 PolarHBondContact O-N 3.1Å; I2-R5 HydrophobicContact CB-CG 4.37Å; I2-R5 HydrophobicContact CG2-CG 4.07Å; I2-R5 PolarHBondContact O-N 3.03Å
3P63.5Low57.3Low109 Ų109132.8 Ų132.871%0.70870%0.701SS**THydrogen-bonded Turntrans-60.7-41.5-170.5-27.135.8000115R5 A6P3-R5 PolarHBondContact O-N 3.24Å; P3-R5 VanDerWaalsContact O-N 3.11Å; P3-A6 WeakPolarHBondContact O-CB 3.29Å; P3-A6 PolarHBondContact O-N 3.33Å
4W59.7Low57.3Low172 Ų172141.1 Ų141.165%0.65272%0.718SS**Hα-helixtrans-63.5-21.7-17763.2-105.2000113.7I2 A6I2-W4 VanDerWaalsContact CG2-CD1 3.44Å; I2-W4 HydrophobicContact CG2-CD2 4.03Å; I2-W4 HydrophobicContact CG2-CG 3.92Å; I2-W4 HydrophobicContact CG2-CZ2 4.34Å; I2-W4 PolarHBondContact O-N 3.1Å; W4-A6 VanDerWaalsContact C-N 3.3Å; W4-A6 PolarHBondContact O-N 2.99Å
5R63.3Low56.8Low154 Ų154136.3 Ų136.358%0.58172%0.717SS**Hα-helixtrans-76.4-14.3175.5-66.1-171.3175.6-147.20.2113.7I2 P3I2-R5 HydrophobicContact CB-CG 4.37Å; I2-R5 HydrophobicContact CG2-CG 4.07Å; I2-R5 PolarHBondContact O-N 3.03Å; P3-R5 PolarHBondContact O-N 3.24Å; P3-R5 VanDerWaalsContact O-N 3.11Å
6A57.1Low56.9Low67 Ų67138.3 Ų138.355%0.55473%0.728SS**Hα-helixtrans-82.5-46.1172.200000111.5P3 W4 A8 R9 A10P3-A6 WeakPolarHBondContact O-CB 3.29Å; P3-A6 PolarHBondContact O-N 3.33Å; W4-A6 VanDerWaalsContact C-N 3.3Å; W4-A6 PolarHBondContact O-N 2.99Å; A6-A8 VanDerWaalsContact C-N 3.31Å; A6-A8 PolarHBondContact O-N 3.49Å; A6-R9 PolarHBondContact O-N 3.05Å; A6-A10 PolarHBondContact O-N 3.36Å
7A57Low56.8Low71 Ų71136.3 Ų136.359%0.58773%0.725SS**Hα-helixtrans-56.1-43-179.400000112.7R9 A10A7-R9 PolarHBondContact O-N 2.99Å; A7-R9 VanDerWaalsContact O-N 3.09Å; A7-A10 PolarHBondContact O-N 2.86Å
8A57.1Low56.3Low73 Ų73136.6 Ų136.660%0.60374%0.736SS**Hα-helixtrans-63.1-13.517800000114.9A6A6-A8 VanDerWaalsContact C-N 3.31Å; A6-A8 PolarHBondContact O-N 3.49Å
9R60.3Low56Low205 Ų205133.4 Ų133.477%0.77474%0.738SS**Hα-helixtrans-96.1-35.2174.1-68.1-178.7173.7179.4-3.2112.5A6 A7 G11 R12A6-R9 PolarHBondContact O-N 3.05Å; A7-R9 PolarHBondContact O-N 2.99Å; A7-R9 VanDerWaalsContact O-N 3.09Å; R9-G11 VanDerWaalsContact C-N 3.28Å; R9-G11 PolarHBondContact O-N 3.3Å; R9-R12 PolarHBondContact O-N 3.46Å
10A53.8Low55.5Low76 Ų76133.1 Ų133.163%0.62874%0.74SS**Hα-helixtrans-60.2-36.2-179.400000112.9A6 A7 R12 Q13A6-A10 PolarHBondContact O-N 3.36Å; A7-A10 PolarHBondContact O-N 2.86Å; A10-R12 PolarHBondContact O-N 3.38Å; A10-Q13 PolarHBondContact O-N 2.86Å
11G53.7Low55.1Low70 Ų70133.2 Ų133.272%0.72274%0.744SS**THydrogen-bonded Turntrans-63.1-9.8-179.600000116.1R9R9-G11 VanDerWaalsContact C-N 3.28Å; R9-G11 PolarHBondContact O-N 3.3Å
12R58.6Low54.9Low226 Ų226127.8 Ų127.885%0.85372%0.724SS**THydrogen-bonded Turntrans-98.6-2.3-177.5-69.3-173.2177.1-91.30.4115.3R9 A10R9-R12 PolarHBondContact O-N 3.46Å; A10-R12 PolarHBondContact O-N 3.38Å
13Q55.5Low54.3Low180 Ų180130 Ų13084%0.84174%0.736SS**  trans-111.416.2-176.8-71.6-165.4-22.700115A10 G15A10-Q13 PolarHBondContact O-N 2.86Å; Q13-G15 PolarHBondContact O-N 2.9Å
14R57.6Low53.6Low249 Ų249132.9 Ų132.994%0.9475%0.745SS**  trans-83.456.7172.3-150.2173.5-164.9177.73.4111.8
15G50.6Low52.7Low69 Ų69131.8 Ų131.871%0.71175%0.748SS**PPolyproline II helixtrans-90158.6173.800000112.7Q13Q13-G15 PolarHBondContact O-N 2.9Å
16L58.5Low51.9Low169 Ų169128.9 Ų128.989%0.88575%0.751SS**PPolyproline II helixtrans-69.5156.7-179.8-74.5159.9000112.6
17P55.1Low51.1Low104 Ų104134.3 Ų134.368%0.67576%0.762SS**PPolyproline II helixtrans-64.9150178.227.5-35.4000112.2G19P17-G19 PolarHBondContact O-N 3.42Å
18P47.8Very low50.8Low142 Ų142139.7 Ų139.792%0.92278%0.775SS**THydrogen-bonded Turntrans-66.5123.1179.7-17.231000111.4
19G50.2Low50.5Low76 Ų76139.3 Ų139.378%0.78478%0.779SS**THydrogen-bonded Turntrans161-23.817300000116.6P17P17-G19 PolarHBondContact O-N 3.42Å
20V46.7Very low49.5Very low126 Ų126133.6 Ų133.676%0.76478%0.775SS**  trans-107.4104.3-177.5-174.90000111.1V22V20-V22 HydrophobicContact CG1-CG2 4Å; V20-V22 PolarHBondContact O-N 3.09Å
21T46.3Very low49.2Very low137 Ų137134.4 Ų134.484%0.8478%0.782SS**  trans-77.791.5165.950.40000109.6L23T21-L23 PolarHBondContact O-N 3.14Å
22V44.5Very low48.8Very low123 Ų123136 Ų13675%0.74579%0.789SS**  trans-68.8113.2165-178.80000107.6V20V20-V22 HydrophobicContact CG1-CG2 4Å; V20-V22 PolarHBondContact O-N 3.09Å
23L44.2Very low48.5Very low133 Ų133131.1 Ų131.170%0.69678%0.783SS**  trans-62.5134.4172.9-164.580.6000108.7T21 Q25T21-L23 PolarHBondContact O-N 3.14Å; L23-Q25 VanDerWaalsContact C-N 3.26Å; L23-Q25 HydrophobicContact CD2-CG 4.18Å; L23-Q25 PolarHBondContact O-N 2.8Å
24N47.3Very low48.7Very low168 Ų168130.9 Ų130.990%0.89878%0.782SS**  trans-68.785172.4-78.5-50.8000110
25Q42.1Very low48.3Very low149 Ų149124.6 Ų124.670%0.69677%0.772SS**  trans-86.7123.5162.1-65.2-169.314.300108.3L23 F27L23-Q25 VanDerWaalsContact C-N 3.26Å; L23-Q25 HydrophobicContact CD2-CG 4.18Å; L23-Q25 PolarHBondContact O-N 2.8Å; Q25-F27 PolarHBondContact O-N 3.04Å
26S45.5Very low48.1Very low94 Ų94126.6 Ų126.666%0.65777%0.77SS**  trans-60.5126.3170.8-173.30000109.1E28S26-E28 VanDerWaalsContact C-N 3.25Å; S26-E28 PolarHBondContact O-N 2.88Å; S26-E28 WeakPolarHBondContact OG-CB 3.46Å; S26-E28 PolarHBondContact OG-N 3.24Å
27F40.4Very low48.1Very low180 Ų180124.3 Ų124.379%0.78976%0.763SS**  trans-97.451.1168.4-122.6-79.7000110.8Q25 G29Q25-F27 PolarHBondContact O-N 3.04Å; F27-G29 PolarHBondContact O-N 3.19Å
28E50.3Low47.6Very low184 Ų184127.2 Ų127.286%0.8677%0.767SS**  trans-73.976.2171.9-176.3167.8-160.800109.3S26S26-E28 VanDerWaalsContact C-N 3.25Å; S26-E28 PolarHBondContact O-N 2.88Å; S26-E28 WeakPolarHBondContact OG-CB 3.46Å; S26-E28 PolarHBondContact OG-N 3.24Å
29G52.2Low47.7Very low65 Ų65125.2 Ų125.267%0.6776%0.757SS**  trans152.363-176.700000114.8F27F27-G29 PolarHBondContact O-N 3.19Å
30A39.6Very low47Very low85 Ų85129.3 Ų129.370%0.70276%0.761SS**  trans-133.1125.3161.100000108.4
31A47.5Very low46.8Very low94 Ų94128.7 Ų128.778%0.77776%0.762SS**  trans-68.2140.3-175.700000111.3V33A31-V33 PolarHBondContact O-N 3.08Å
32A45Very low46.4Very low103 Ų103131.8 Ų131.885%0.85177%0.767SS**  trans-69.1113.8169.600000109.1E34A32-E34 PolarHBondContact O-N 3.33Å
33V52.7Low45.8Very low123 Ų123129.6 Ų129.675%0.74577%0.769SS**  trans-84.8107167.4177.50000107.2A31 V35A31-V33 PolarHBondContact O-N 3.08Å; V33-V35 HydrophobicContact CG1-CG2 4.31Å; V33-V35 PolarHBondContact O-N 3.07Å
34E58.4Low45.4Very low176 Ų176132.8 Ų132.882%0.82278%0.78SS**  trans-64.9131.4163.4-75.1-171.1105.900109.1A32A32-E34 PolarHBondContact O-N 3.33Å
35V50.3Low45.2Very low117 Ų117132.4 Ų132.471%0.70978%0.779SS**  trans-110.592.5170.6-179.10000106.9V33 V37V33-V35 HydrophobicContact CG1-CG2 4.31Å; V33-V35 PolarHBondContact O-N 3.07Å; V35-V37 HydrophobicContact CG1-CG2 4.44Å; V35-V37 PolarHBondContact O-N 3.35Å
36T45.6Very low45.1Very low110 Ų110130.2 Ų130.268%0.67578%0.779SS**  trans-67.2108.9169.843.10000108.9E38T36-E38 VanDerWaalsContact C-N 3.31Å; T36-E38 PolarHBondContact O-N 3.14Å; T36-E38 VanDerWaalsContact O-N 3.08Å
37V57.7Low45Very low122 Ų122133.8 Ų133.874%0.73979%0.786SS**  trans-82.382.3173.5-177.30000108.5V35V35-V37 HydrophobicContact CG1-CG2 4.44Å; V35-V37 PolarHBondContact O-N 3.35Å
38E45Very low45.3Very low164 Ų164130.7 Ų130.777%0.76679%0.787SS**  trans-65.2139.4162.760.6-151.6148.400109.7T36T36-E38 VanDerWaalsContact C-N 3.31Å; T36-E38 PolarHBondContact O-N 3.14Å; T36-E38 VanDerWaalsContact O-N 3.08Å
39S49.7Very low45Very low100 Ų100130.8 Ų130.870%0.69979%0.787SS**  trans-12970.1-168.1-64.70000110.8
40D36.2Very low44.8Very low162 Ų162136.2 Ų136.287%0.86680%0.795SS**  trans-79.7122.3169.4-75.2-30.2000110.2
41S42Very low44.9Very low113 Ų113137.8 Ų137.879%0.7980%0.796SS**  trans-155.867.8-176.21740000111.3
42E37.7Very low45Very low202 Ų202139 Ų13994%0.94479%0.793SS**  trans-140.5135.7150.8-121.1163.2-163.800108.5
43G32.6Very low45Very low77 Ų77139.4 Ų139.479%0.79479%0.785SS**  trans-130.8118.8-17400000109.8
44E35.3Very low44.8Very low200 Ų200142.5 Ų142.594%0.93579%0.791SS**  trans-104158.7167.5-64.8-159.1135.900110.5
45D44Very low44.2Very low161 Ų161139.9 Ų139.986%0.86179%0.787SS**  trans-84.3126.4-166.4-159.46.7000110.8
46S39.8Very low43.5Very low102 Ų102137.1 Ų137.171%0.71378%0.782SS**  trans-149.5112.7169.6-91.90000111.7
47E43.3Very low43.5Very low170 Ų170140.7 Ų140.779%0.79479%0.791SS**  trans-25.2128160.755.8-136.6126.500118.3
48S45.5Very low42.8Very low115 Ų115141.4 Ų141.480%0.80480%0.796SS**  trans8.7115.8148.4560000120.1
49E45Very low42.9Very low185 Ų185138.7 Ų138.786%0.86480%0.795SS**  trans-138.9135.6150.4-163.7138.4-143.300111.8V51E49-V51 PolarHBondContact O-N 3.45Å
50E47.3Very low42.4Very low179 Ų179139.5 Ų139.584%0.83680%0.801SS**  trans-88.780.1-167.9-170.5179.3177.200111.9V52E50-V52 PolarHBondContact O-N 2.88Å; E50-V52 VanDerWaalsContact O-N 3.08Å
51V42.4Very low43.4Very low119 Ų119137.3 Ų137.372%0.72180%0.798SS**  trans-78.295.4178.4-171.30000111E49 V53E49-V51 PolarHBondContact O-N 3.45Å; V51-V53 HydrophobicContact CG1-CG2 3.93Å; V51-V53 PolarHBondContact O-N 3.06Å
52V48.8Very low43.6Very low120 Ų120138.8 Ų138.873%0.72780%0.797SS**  trans-68.896.8171.9-1800000110.3E50 E54E50-V52 PolarHBondContact O-N 2.88Å; E50-V52 VanDerWaalsContact O-N 3.08Å; V52-E54 PolarHBondContact O-N 3.09Å
53V46.2Very low43.8Very low111 Ų111132 Ų13267%0.67378%0.78SS**  trans-87.592174.6178.60000110V51 V55V51-V53 HydrophobicContact CG1-CG2 3.93Å; V51-V53 PolarHBondContact O-N 3.06Å; V53-V55 HydrophobicContact CG1-CG2 3.78Å; V53-V55 PolarHBondContact O-N 3.34Å; V53-V55 VanDerWaalsContact O-N 3.09Å
54E47.6Very low44.8Very low187 Ų187133.3 Ų133.387%0.87478%0.784SS**  trans-7394.2173.4-172.9177.9-160.500110.8V52V52-E54 PolarHBondContact O-N 3.09Å
55V46Very low45.7Very low121 Ų121130.1 Ų130.173%0.73378%0.778SS**  trans-100.9122.9172.9163.80000110.4V53V53-V55 HydrophobicContact CG1-CG2 3.78Å; V53-V55 PolarHBondContact O-N 3.34Å; V53-V55 VanDerWaalsContact O-N 3.09Å
56G35.4Very low46.4Very low60 Ų60127.9 Ų127.962%0.61977%0.766SS**  trans-64.7144.8-16700000115.6T58G56-T58 PolarHBondContact O-N 3.26Å
57Q46.3Very low47.8Very low184 Ų184134.4 Ų134.486%0.8678%0.775SS**  trans-72.891.3-179.8-64.4178.3-700112.6S59Q57-S59 PolarHBondContact O-N 2.92Å
58T41.8Very low49.5Very low138 Ų138131 Ų13185%0.84776%0.761SS**  trans-90.976.916446.50000110.4G56 S60G56-T58 PolarHBondContact O-N 3.26Å; T58-S60 PolarHBondContact O-N 2.86Å
59S47.1Very low51.6Low106 Ų106129.9 Ų129.974%0.74175%0.75SS**  trans-61.686.8-174.2-56.90000114Q57Q57-S59 PolarHBondContact O-N 2.92Å
60S40.8Very low53.8Low118 Ų118123.1 Ų123.183%0.82573%0.73SS**  trans-69.1134.3170.9-168.70000111.1T58 L62T58-S60 PolarHBondContact O-N 2.86Å; S60-L62 PolarHBondContact O-N 2.94Å
61S56.1Low55.9Low115 Ų115122.1 Ų122.180%0.80473%0.725SS**  trans-79.481.2-166.1172.40000113.7G63S61-G63 PolarHBondContact O-N 2.71Å
62L45.8Very low58.4Low145 Ų145120.6 Ų120.676%0.75971%0.71SS**  trans-89.785.6165.7-152.977.8000111.2S60 A64S60-L62 PolarHBondContact O-N 2.94Å; L62-A64 PolarHBondContact O-N 2.73Å
63G43.1Very low60.6Low58 Ų58121.1 Ų121.160%0.59870%0.7SS**  trans-74.4112.4-171.500000115.6S61 T65S61-G63 PolarHBondContact O-N 2.71Å; G63-T65 PolarHBondContact O-N 3.25Å
64A53.6Low63Low105 Ų105120.2 Ų120.287%0.86869%0.692SS**SBendtrans7010.2147.900000120.8L62L62-A64 PolarHBondContact O-N 2.73Å
65T52.9Low65.4Low134 Ų134117.5 Ų117.582%0.82267%0.673SS**SBendtrans-1161.8174.555.40000116G63G63-T65 PolarHBondContact O-N 3.25Å
66D59.5Low67.8Low113 Ų113115.8 Ų115.860%0.60466%0.659SS**  trans-12363.4-176.5-163.719.4000112.9
67R70.1Confident70.8Confident239 Ų239116.1 Ų116.190%0.90265%0.645SS**  trans-111.988.6167.6-77.7-171172.4-168.7-2.3109.4T69R67-T69 PolarHBondContact O-N 3.34Å
68I77.8Confident73.2Confident99 Ų99113.3 Ų113.351%0.50863%0.633SS.*  trans-58107.4175-57.2178.2000109.3Q72I68-Q72 HydrophobicContact CG2-CB 3.78Å
69T90.1Very high75.9Confident91 Ų91110.5 Ų110.556%0.55861%0.61SS**  trans-60.8147.3172.6-40.30000110R67 Q71 Q72 Y73R67-T69 PolarHBondContact O-N 3.34Å; T69-Q71 PolarHBondContact O-N 3.09Å; T69-Q71 VanDerWaalsContact O-N 3.1Å; T69-Q72 WeakPolarHBondContact O-CA 3.47Å; T69-Q72 WeakPolarHBondContact O-CB 3.36Å; T69-Q72 PolarHBondContact O-N 2.78Å; T69-Y73 PolarHBondContact O-N 2.91Å; T69-Y73 VanDerWaalsContact O-N 3.14Å
70G91.3Very high78.4Confident44 Ų44109.1 Ų109.145%0.45459%0.594SS.*Hα-helixtrans-48-43.6-179.900000114.1Q72 Y73 D74G70-Q72 VanDerWaalsContact C-N 3.28Å; G70-Q72 PolarHBondContact O-N 3.37Å; G70-Y73 WeakPolarHBondContact O-CA 3.43Å; G70-Y73 WeakPolarHBondContact O-CB 3.42Å; G70-Y73 PolarHBondContact O-N 3.03Å; G70-D74 VanDerWaalsContact O-CG 3.31Å; G70-D74 PolarHBondContact O-N 2.8Å
71Q92Very high81.1Confident157 Ų157108.4 Ų108.473%0.73458%0.576SS**Hα-helixtrans-59.2-32.3175.3-66.7178.3-13.700114.4T69 R75T69-Q71 PolarHBondContact O-N 3.09Å; T69-Q71 VanDerWaalsContact O-N 3.1Å; Q71-R75 WeakPolarHBondContact O-CB 3.38Å; Q71-R75 PolarHBondContact O-N 3.14Å; Q71-R75 VanDerWaalsContact O-N 3.09Å
72Q94.8Very high83.1Confident88 Ų88109.4 Ų109.441%0.41157%0.568SS.*Hα-helixtrans-75.6-37.2174.9-60.4-64.7-13.100110.7I68 T69 G70 R75 I76I68-Q72 HydrophobicContact CG2-CB 3.78Å; T69-Q72 WeakPolarHBondContact O-CA 3.47Å; T69-Q72 WeakPolarHBondContact O-CB 3.36Å; T69-Q72 PolarHBondContact O-N 2.78Å; G70-Q72 VanDerWaalsContact C-N 3.28Å; G70-Q72 PolarHBondContact O-N 3.37Å; Q72-R75 PolarHBondContact O-N 3.04Å; Q72-I76 WeakPolarHBondContact O-CB 3.47Å; Q72-I76 WeakPolarHBondContact O-CD1 3.21Å; Q72-I76 WeakPolarHBondContact O-CG1 3.35Å; Q72-I76 PolarHBondContact O-N 3.32Å
73Y95.4Very high85.6Confident131 Ų131106.7 Ų106.751%0.51456%0.56SS.*Hα-helixtrans-62.7-45.8172.8178.7-92.5000111.6T69 G70 R75 I76 Q77T69-Y73 PolarHBondContact O-N 2.91Å; T69-Y73 VanDerWaalsContact O-N 3.14Å; G70-Y73 WeakPolarHBondContact O-CA 3.43Å; G70-Y73 WeakPolarHBondContact O-CB 3.42Å; G70-Y73 PolarHBondContact O-N 3.03Å; Y73-R75 VanDerWaalsContact C-N 3.34Å; Y73-R75 PolarHBondContact O-N 3.34Å; Y73-I76 PolarHBondContact O-N 3.5Å; Y73-Q77 HydrophobicContact CD1-CG 4.36Å; Y73-Q77 HydrophobicContact CE1-CG 3.92Å; Y73-Q77 VanDerWaalsContact CE1-NE2 3.26Å; Y73-Q77 PolarHBondContact O-N 3.04Å; Y73-Q77 PolarHBondContact OH-NE2 2.98Å
74D95.9Very high88.3Confident92 Ų92112.1 Ų112.149%0.49256%0.563SS.*Hα-helixtrans-61-42.8176-64.4-35.3000111.6G70 Q77 M78G70-D74 VanDerWaalsContact O-CG 3.31Å; G70-D74 PolarHBondContact O-N 2.8Å; D74-Q77 WeakPolarHBondContact O-CB 3.43Å; D74-Q77 PolarHBondContact O-N 3.34Å; D74-M78 WeakPolarHBondContact O-CG 3.42Å; D74-M78 PolarHBondContact O-N 3.49Å
75R97.1Very high90.4Very high129 Ų129113.1 Ų113.149%0.48755%0.553SS.*Hα-helixtrans-60.5-50.1174.2179.8-177.6167.4-144.3-14.4111.8Q71 Q72 Y73 Q77 M78 E79Q71-R75 WeakPolarHBondContact O-CB 3.38Å; Q71-R75 PolarHBondContact O-N 3.14Å; Q71-R75 VanDerWaalsContact O-N 3.09Å; Q72-R75 PolarHBondContact O-N 3.04Å; Y73-R75 VanDerWaalsContact C-N 3.34Å; Y73-R75 PolarHBondContact O-N 3.34Å; R75-Q77 VanDerWaalsContact C-N 3.28Å; R75-Q77 PolarHBondContact O-N 2.83Å; R75-M78 PolarHBondContact O-N 2.9Å; R75-E79 IonicContact CZ-OE1 3.33Å; R75-E79 IonicContact NE-OE1 2.74Å; R75-E79 PolarHBondContact NE-OE1 3.19Å; R75-E79 IonicContact NH2-OE1 3.49Å; R75-E79 PolarHBondContact NH2-OE1 3.03Å; R75-E79 IonicContact NH2-OE2 3.5Å; R75-E79 PolarHBondContact O-N 2.88Å
76I97Very high92.6Very high86 Ų86110.4 Ų110.444%0.44154%0.539SS..Hα-helixtrans-61.4-38.2178.5-69.6163000110.6Q72 Y73 M78 L80Q72-I76 WeakPolarHBondContact O-CB 3.47Å; Q72-I76 WeakPolarHBondContact O-CD1 3.21Å; Q72-I76 WeakPolarHBondContact O-CG1 3.35Å; Q72-I76 PolarHBondContact O-N 3.32Å; Y73-I76 PolarHBondContact O-N 3.5Å; I76-M78 PolarHBondContact O-N 2.86Å; I76-L80 WeakPolarHBondContact O-CB 3.49Å; I76-L80 PolarHBondContact O-N 2.82Å
77Q97.8Very high94.5Very high67 Ų67108.9 Ų108.931%0.31353%0.531SS..Hα-helixtrans-61.4-40.1172-86.4-141.516.100112.9Y73 D74 R75 K81Y73-Q77 HydrophobicContact CD1-CG 4.36Å; Y73-Q77 HydrophobicContact CE1-CG 3.92Å; Y73-Q77 VanDerWaalsContact CE1-NE2 3.26Å; Y73-Q77 PolarHBondContact O-N 3.04Å; Y73-Q77 PolarHBondContact OH-NE2 2.98Å; D74-Q77 WeakPolarHBondContact O-CB 3.43Å; D74-Q77 PolarHBondContact O-N 3.34Å; R75-Q77 VanDerWaalsContact C-N 3.28Å; R75-Q77 PolarHBondContact O-N 2.83Å; Q77-K81 VanDerWaalsContact O-CD 3.29Å; Q77-K81 WeakPolarHBondContact O-CD 3.43Å; Q77-K81 WeakPolarHBondContact O-CG 3.18Å; Q77-K81 PolarHBondContact O-N 3.46Å; Q77-K81 VanDerWaalsContact O-N 3.09Å
78M98Very high95.8Very high125 Ų12599.6 Ų99.662%0.61651%0.505SS*.Hα-helixtrans-68.1-48.1176.7-71.3-168.7-63.900111.7D74 R75 I76 L80 K81 E82D74-M78 WeakPolarHBondContact O-CG 3.42Å; D74-M78 PolarHBondContact O-N 3.49Å; R75-M78 PolarHBondContact O-N 2.9Å; I76-M78 PolarHBondContact O-N 2.86Å; M78-L80 VanDerWaalsContact C-N 3.28Å; M78-L80 PolarHBondContact O-N 3.45Å; M78-K81 WeakPolarHBondContact O-CB 3.34Å; M78-K81 PolarHBondContact O-N 3.4Å; M78-E82 PolarHBondContact O-N 3.16Å
79E98.2Very high96.8Very high79 Ų7997 Ų9737%0.36950%0.498SS..Hα-helixtrans-60.4-37.5177.6-69.3177.2179.200111.5R75 E82 C83R75-E79 IonicContact CZ-OE1 3.33Å; R75-E79 IonicContact NE-OE1 2.74Å; R75-E79 PolarHBondContact NE-OE1 3.19Å; R75-E79 IonicContact NH2-OE1 3.49Å; R75-E79 PolarHBondContact NH2-OE1 3.03Å; R75-E79 IonicContact NH2-OE2 3.5Å; R75-E79 PolarHBondContact O-N 2.88Å; E79-E82 PolarHBondContact O-N 2.47Å; E79-C83 WeakPolarHBondContact O-CB 3.19Å; E79-C83 PolarHBondContact O-N 3.32Å; E79-C83 PolarHBondContact O-SG 3.47Å
80L98.4Very high97.3Very high76 Ų7696.7 Ų96.740%0.39849%0.49SS..Hα-helixtrans-66.7-37.4173.4174.9149.1000113I76 M78 R84I76-L80 WeakPolarHBondContact O-CB 3.49Å; I76-L80 PolarHBondContact O-N 2.82Å; M78-L80 VanDerWaalsContact C-N 3.28Å; M78-L80 PolarHBondContact O-N 3.45Å; L80-R84 VanDerWaalsContact O-CG 3.32Å; L80-R84 WeakPolarHBondContact O-CG 3.32Å; L80-R84 PolarHBondContact O-N 3.03Å; L80-R84 VanDerWaalsContact O-N 3.14Å
81K98.6Very high97.6Very high103 Ų103101.6 Ų101.645%0.44850%0.495SS..Hα-helixtrans-68.4-42.3174.5-71.7160.5-165.9167.50110.8Q77 M78 R84 L85Q77-K81 VanDerWaalsContact O-CD 3.29Å; Q77-K81 WeakPolarHBondContact O-CD 3.43Å; Q77-K81 WeakPolarHBondContact O-CG 3.18Å; Q77-K81 PolarHBondContact O-N 3.46Å; Q77-K81 VanDerWaalsContact O-N 3.09Å; M78-K81 WeakPolarHBondContact O-CB 3.34Å; M78-K81 PolarHBondContact O-N 3.4Å; K81-R84 PolarHBondContact O-N 2.91Å; K81-L85 WeakPolarHBondContact O-CG 3.41Å; K81-L85 PolarHBondContact O-N 3.3Å
82E98.4Very high97.9Very high137 Ų137100.7 Ų100.764%0.6449%0.485SS*.Hα-helixtrans-61.9-47.5174.4-176.2173.9-16400111.7M78 E79 R84 L85 S86M78-E82 PolarHBondContact O-N 3.16Å; E79-E82 PolarHBondContact O-N 2.47Å; E82-R84 VanDerWaalsContact C-N 3.3Å; E82-R84 PolarHBondContact O-N 3.11Å; E82-L85 PolarHBondContact O-N 3.24Å; E82-L85 VanDerWaalsContact O-N 3.14Å; E82-S86 VanDerWaalsContact O-CB 3.31Å; E82-S86 WeakPolarHBondContact O-CB 3.31Å; E82-S86 PolarHBondContact O-N 3.03Å
83C98.4Very high98.1Very high87 Ų8799.1 Ų99.159%0.58849%0.487SS*.Hα-helixtrans-57.3-40.4175.8-77.70000112.6E79 S86 L87E79-C83 WeakPolarHBondContact O-CB 3.19Å; E79-C83 PolarHBondContact O-N 3.32Å; E79-C83 PolarHBondContact O-SG 3.47Å; C83-S86 PolarHBondContact O-N 3.49Å; C83-L87 VanDerWaalsContact O-CB 3.28Å; C83-L87 WeakPolarHBondContact O-CB 3.34Å; C83-L87 PolarHBondContact O-N 3.02Å
84R98.6Very high98.3Very high172 Ų17299.2 Ų99.265%0.64949%0.487SS*.Hα-helixtrans-65-43.4175.2-74171.8176.5-174.1-1.1112.2L80 K81 E82 A88L80-R84 VanDerWaalsContact O-CG 3.32Å; L80-R84 WeakPolarHBondContact O-CG 3.32Å; L80-R84 PolarHBondContact O-N 3.03Å; L80-R84 VanDerWaalsContact O-N 3.14Å; K81-R84 PolarHBondContact O-N 2.91Å; E82-R84 VanDerWaalsContact C-N 3.3Å; E82-R84 PolarHBondContact O-N 3.11Å; R84-A88 WeakPolarHBondContact O-CB 3.49Å; R84-A88 PolarHBondContact O-N 3.28Å
85L98.7Very high98.4Very high127 Ų12799.9 Ų99.967%0.66549%0.49SS*.Hα-helixtrans-66.3-41176.3-70.5171.2000112.2K81 E82 A88 A89K81-L85 WeakPolarHBondContact O-CG 3.41Å; K81-L85 PolarHBondContact O-N 3.3Å; E82-L85 PolarHBondContact O-N 3.24Å; E82-L85 VanDerWaalsContact O-N 3.14Å; L85-A88 PolarHBondContact O-N 3.46Å; L85-A89 PolarHBondContact O-N 2.97Å
86S98.6Very high98.5Very high76 Ų76101.1 Ų101.153%0.53149%0.494SS..Hα-helixtrans-65-46.1177.6-172.40000111.6E82 C83 A88 A89 E90E82-S86 VanDerWaalsContact O-CB 3.31Å; E82-S86 WeakPolarHBondContact O-CB 3.31Å; E82-S86 PolarHBondContact O-N 3.03Å; C83-S86 PolarHBondContact O-N 3.49Å; S86-A88 VanDerWaalsContact C-N 3.33Å; S86-A88 PolarHBondContact O-N 2.95Å; S86-A89 CarbonylContact O-C 3.54Å; S86-A89 WeakPolarHBondContact O-CA 3.46Å; S86-A89 WeakPolarHBondContact O-CB 3.33Å; S86-A89 PolarHBondContact O-N 2.8Å; S86-E90 PolarHBondContact O-N 3.15Å
87L98.8Very high98.6Very high82 Ų8299.9 Ų99.943%0.42950%0.497SS..Hα-helixtrans-60.1-40.7172.9179.561.6000112.1C83 A89 E90 R91C83-L87 VanDerWaalsContact O-CB 3.28Å; C83-L87 WeakPolarHBondContact O-CB 3.34Å; C83-L87 PolarHBondContact O-N 3.02Å; L87-A89 VanDerWaalsContact C-N 3.3Å; L87-A89 PolarHBondContact O-N 3.5Å; L87-E90 PolarHBondContact O-N 3.36Å; L87-R91 HydrophobicContact CD1-CG 4.38Å; L87-R91 WeakPolarHBondContact O-CG 3.37Å; L87-R91 PolarHBondContact O-N 3.07Å
88A98.8Very high98.6Very high43 Ų4399.8 Ų99.836%0.35550%0.496SS..Hα-helixtrans-67.2-30.2174.200000112.4R84 L85 S86 R92R84-A88 WeakPolarHBondContact O-CB 3.49Å; R84-A88 PolarHBondContact O-N 3.28Å; L85-A88 PolarHBondContact O-N 3.46Å; S86-A88 VanDerWaalsContact C-N 3.33Å; S86-A88 PolarHBondContact O-N 2.95Å; A88-R92 WeakPolarHBondContact O-CG 3.31Å; A88-R92 PolarHBondContact O-N 3.27Å; A88-R92 PolarHBondContact O-NE 3.18Å
89A98.7Very high98.6Very high45 Ų4597.6 Ų97.637%0.37249%0.493SS..Hα-helixtrans-72.9-44.1172.800000112.3L85 S86 L87 R92 A93L85-A89 PolarHBondContact O-N 2.97Å; S86-A89 CarbonylContact O-C 3.54Å; S86-A89 WeakPolarHBondContact O-CA 3.46Å; S86-A89 WeakPolarHBondContact O-CB 3.33Å; S86-A89 PolarHBondContact O-N 2.8Å; L87-A89 VanDerWaalsContact C-N 3.3Å; L87-A89 PolarHBondContact O-N 3.5Å; A89-R92 PolarHBondContact O-N 3.41Å; A89-A93 WeakPolarHBondContact O-CB 3.34Å; A89-A93 PolarHBondContact O-N 3.46Å
90E98.7Very high98.7Very high84 Ų84102 Ų10239%0.39351%0.507SS..Hα-helixtrans-55.5-55.1174.5-178.8-76.5140.100110.8S86 L87 R92 A93 R94S86-E90 PolarHBondContact O-N 3.15Å; L87-E90 PolarHBondContact O-N 3.36Å; E90-R92 PolarHBondContact O-N 3.48Å; E90-A93 CarbonylContact O-C 3.42Å; E90-A93 WeakPolarHBondContact O-CA 3.38Å; E90-A93 WeakPolarHBondContact O-CB 3.39Å; E90-A93 PolarHBondContact O-N 3.33Å; E90-R94 PolarHBondContact O-N 2.74Å; E90-R94 WeakPolarHBondContact OE1-CD 3.28Å
91R98.8Very high98.7Very high147 Ų147103.2 Ų103.256%0.55551%0.513SS*.Hα-helixtrans-56.4-40.1-178.9-70173.9177.1-169.1-2.8112.1L87 R94 L95L87-R91 HydrophobicContact CD1-CG 4.38Å; L87-R91 WeakPolarHBondContact O-CG 3.37Å; L87-R91 PolarHBondContact O-N 3.07Å; R91-R94 PolarHBondContact O-N 3.06Å; R91-L95 WeakPolarHBondContact O-CG 3.48Å; R91-L95 PolarHBondContact O-N 2.87Å
92R98.8Very high98.7Very high138 Ų138104.6 Ų104.652%0.52152%0.519SS..Hα-helixtrans-71.8-28.3174.6-71.5177.9-66.4158.70.5113.2A88 A89 E90 R96A88-R92 WeakPolarHBondContact O-CG 3.31Å; A88-R92 PolarHBondContact O-N 3.27Å; A88-R92 PolarHBondContact O-NE 3.18Å; A89-R92 PolarHBondContact O-N 3.41Å; E90-R92 PolarHBondContact O-N 3.48Å; R92-R96 VanDerWaalsContact C-NH1 3.34Å; R92-R96 VanDerWaalsContact O-CG 3.31Å; R92-R96 WeakPolarHBondContact O-CG 3.41Å; R92-R96 PolarHBondContact O-N 2.81Å; R92-R96 PolarHBondContact O-NH1 3.42Å
93A98.8Very high98.7Very high55 Ų55104 Ų10446%0.45552%0.516SS..Hα-helixtrans-73.1-42.7172.500000110.7A89 E90 R96 A97A89-A93 WeakPolarHBondContact O-CB 3.34Å; A89-A93 PolarHBondContact O-N 3.46Å; E90-A93 CarbonylContact O-C 3.42Å; E90-A93 WeakPolarHBondContact O-CA 3.38Å; E90-A93 WeakPolarHBondContact O-CB 3.39Å; E90-A93 PolarHBondContact O-N 3.33Å; A93-R96 PolarHBondContact O-N 3.47Å; A93-A97 PolarHBondContact O-N 3.08Å
94R98.8Very high98.7Very high134 Ų134102.9 Ų102.951%0.50651%0.508SS..Hα-helixtrans-61.7-48.9177.9-148.5-172.578.4-156.35.1112E90 R91 R96 A97 E98E90-R94 PolarHBondContact O-N 2.74Å; E90-R94 WeakPolarHBondContact OE1-CD 3.28Å; R91-R94 PolarHBondContact O-N 3.06Å; R94-R96 VanDerWaalsContact C-N 3.28Å; R94-R96 PolarHBondContact O-N 3.37Å; R94-A97 CarbonylContact O-C 3.33Å; R94-A97 WeakPolarHBondContact O-CA 3.38Å; R94-A97 WeakPolarHBondContact O-CB 3.44Å; R94-A97 PolarHBondContact O-N 3.34Å; R94-E98 IonicContact CZ-OE1 3.15Å; R94-E98 IonicContact NE-OE1 2.64Å; R94-E98 PolarHBondContact NE-OE1 3.04Å; R94-E98 IonicContact NH2-OE1 2.92Å; R94-E98 PolarHBondContact NH2-OE1 2.97Å; R94-E98 WeakPolarHBondContact O-CG 3.33Å; R94-E98 PolarHBondContact O-N 2.89Å
95L98.8Very high98.7Very high105 Ų10599.5 Ų99.555%0.5550%0.5SS..Hα-helixtrans-58.3-36.7175-72.6169.9000113.1R91 S99R91-L95 WeakPolarHBondContact O-CG 3.48Å; R91-L95 PolarHBondContact O-N 2.87Å; L95-S99 WeakPolarHBondContact O-CB 3.38Å; L95-S99 PolarHBondContact O-N 3.36Å
96R98.7Very high98.7Very high156 Ų15699.9 Ų99.959%0.58950%0.502SS*.Hα-helixtrans-69.9-37173.7-70.8-179.5-164.6107.9-15.7112.4R92 A93 R94 R100R92-R96 VanDerWaalsContact C-NH1 3.34Å; R92-R96 VanDerWaalsContact O-CG 3.31Å; R92-R96 WeakPolarHBondContact O-CG 3.41Å; R92-R96 PolarHBondContact O-N 2.81Å; R92-R96 PolarHBondContact O-NH1 3.42Å; A93-R96 PolarHBondContact O-N 3.47Å; R94-R96 VanDerWaalsContact C-N 3.28Å; R94-R96 PolarHBondContact O-N 3.37Å; R96-R100 WeakPolarHBondContact O-CG 3.35Å; R96-R100 PolarHBondContact O-N 3.4Å
97A98.8Very high98.6Very high59 Ų59101.6 Ų101.649%0.48850%0.502SS..Hα-helixtrans-67.5-43.5174.900000111.6A93 R94 S99 R100 L101A93-A97 PolarHBondContact O-N 3.08Å; R94-A97 CarbonylContact O-C 3.33Å; R94-A97 WeakPolarHBondContact O-CA 3.38Å; R94-A97 WeakPolarHBondContact O-CB 3.44Å; R94-A97 PolarHBondContact O-N 3.34Å; A97-S99 VanDerWaalsContact C-N 3.34Å; A97-S99 PolarHBondContact O-N 3.28Å; A97-R100 PolarHBondContact O-N 2.99Å; A97-L101 WeakPolarHBondContact O-CB 3.48Å; A97-L101 PolarHBondContact O-N 3.2Å
98E98.6Very high98.6Very high66 Ų66102.9 Ų102.931%0.30850%0.504SS..Hα-helixtrans-60.4-41173.8-69.9168.9-15100111.8R94 L101 K102R94-E98 IonicContact CZ-OE1 3.15Å; R94-E98 IonicContact NE-OE1 2.64Å; R94-E98 PolarHBondContact NE-OE1 3.04Å; R94-E98 IonicContact NH2-OE1 2.92Å; R94-E98 PolarHBondContact NH2-OE1 2.97Å; R94-E98 WeakPolarHBondContact O-CG 3.33Å; R94-E98 PolarHBondContact O-N 2.89Å; E98-L101 PolarHBondContact O-N 3.28Å; E98-K102 WeakPolarHBondContact O-CG 3.34Å; E98-K102 PolarHBondContact O-N 3.3Å
99S98.7Very high98.6Very high78 Ų78102 Ų10255%0.54550%0.498SS..Hα-helixtrans-62.7-49.2175.2-168.50000112.1L95 A97 L101 K102 E103L95-S99 WeakPolarHBondContact O-CB 3.38Å; L95-S99 PolarHBondContact O-N 3.36Å; A97-S99 VanDerWaalsContact C-N 3.34Å; A97-S99 PolarHBondContact O-N 3.28Å; S99-L101 VanDerWaalsContact C-N 3.31Å; S99-L101 PolarHBondContact O-N 3.46Å; S99-K102 PolarHBondContact O-N 2.98Å; S99-E103 PolarHBondContact O-N 3.04Å
100R98.7Very high98.6Very high173 Ų173108 Ų10865%0.65351%0.513SS*.Hα-helixtrans-66.9-30.1177.8-70.4-176.968.9-155.5-1.5113.2R96 A97 C104R96-R100 WeakPolarHBondContact O-CG 3.35Å; R96-R100 PolarHBondContact O-N 3.4Å; A97-R100 PolarHBondContact O-N 2.99Å; R100-C104 PolarHBondContact O-N 3.35Å; R100-C104 PolarHBondContact O-SG 3.31Å; R100-C104 VanDerWaalsContact O-SG 3.36Å
101L98.6Very high98.6Very high101 Ų101108.5 Ų108.553%0.52952%0.518SS..Hα-helixtrans-63.4-48173.418062.6000110.6A97 E98 S99 E103 C104 E105A97-L101 WeakPolarHBondContact O-CB 3.48Å; A97-L101 PolarHBondContact O-N 3.2Å; E98-L101 PolarHBondContact O-N 3.28Å; S99-L101 VanDerWaalsContact C-N 3.31Å; S99-L101 PolarHBondContact O-N 3.46Å; L101-E103 VanDerWaalsContact C-N 3.35Å; L101-E103 PolarHBondContact O-N 3.27Å; L101-C104 PolarHBondContact O-N 3.08Å; L101-E105 HydrophobicContact CD1-CG 4.41Å; L101-E105 WeakPolarHBondContact O-CB 3.39Å; L101-E105 WeakPolarHBondContact O-CG 3.32Å; L101-E105 PolarHBondContact O-N 2.99Å
102K98.6Very high98.5Very high131 Ų131109 Ų10957%0.5752%0.52SS*.Hα-helixtrans-61.6-41.2177.4-69.7171.4-178.9177.80112.2E98 S99 E105 L106E98-K102 WeakPolarHBondContact O-CG 3.34Å; E98-K102 PolarHBondContact O-N 3.3Å; S99-K102 PolarHBondContact O-N 2.98Å; K102-E105 PolarHBondContact O-N 3.45Å; K102-L106 WeakPolarHBondContact O-CG 3.47Å; K102-L106 PolarHBondContact O-N 2.81Å
103E98.3Very high98.5Very high124 Ų124106.2 Ų106.258%0.57952%0.515SS*.Hα-helixtrans-56.7-53.7173.2-178.2178.5-150.300111.4S99 L101 E105 L106 E107S99-E103 PolarHBondContact O-N 3.04Å; L101-E103 VanDerWaalsContact C-N 3.35Å; L101-E103 PolarHBondContact O-N 3.27Å; E103-E105 VanDerWaalsContact C-N 3.29Å; E103-E105 PolarHBondContact O-N 3.02Å; E103-L106 PolarHBondContact O-N 3.26Å; E103-E107 PolarHBondContact O-N 2.92Å
104C98.5Very high98.4Very high64 Ų64105.2 Ų105.243%0.43251%0.507SS..Hα-helixtrans-64.4-29176.8-68.60000113.6R100 L101 K108R100-C104 PolarHBondContact O-N 3.35Å; R100-C104 PolarHBondContact O-SG 3.31Å; R100-C104 VanDerWaalsContact O-SG 3.36Å; L101-C104 PolarHBondContact O-N 3.08Å; C104-K108 WeakPolarHBondContact O-CB 3.33Å; C104-K108 PolarHBondContact O-N 3.49Å
105E98.5Very high98.3Very high101 Ų101103.7 Ų103.747%0.47251%0.509SS..Hα-helixtrans-72.2-39175.6-77178.2158.700112.4L101 K102 E103 G109L101-E105 HydrophobicContact CD1-CG 4.41Å; L101-E105 WeakPolarHBondContact O-CB 3.39Å; L101-E105 WeakPolarHBondContact O-CG 3.32Å; L101-E105 PolarHBondContact O-N 2.99Å; K102-E105 PolarHBondContact O-N 3.45Å; E103-E105 VanDerWaalsContact C-N 3.29Å; E103-E105 PolarHBondContact O-N 3.02Å; E105-G109 PolarHBondContact O-N 3.2Å
106L98.5Very high98.1Very high135 Ų135105.8 Ų105.871%0.70751%0.509SS*.Hα-helixtrans-67.6-46.3173.4-69.8170.7000111.7K102 E103 K108 G109 Y110K102-L106 WeakPolarHBondContact O-CG 3.47Å; K102-L106 PolarHBondContact O-N 2.81Å; E103-L106 PolarHBondContact O-N 3.26Å; L106-K108 VanDerWaalsContact C-N 3.34Å; L106-K108 PolarHBondContact O-N 3.22Å; L106-G109 WeakPolarHBondContact O-CA 3.45Å; L106-G109 PolarHBondContact O-N 2.82Å; L106-G109 VanDerWaalsContact O-N 3.08Å; L106-Y110 PolarHBondContact O-N 2.88Å
107E98.3Very high98Very high113 Ų113101.7 Ų101.753%0.52851%0.505SS..Hα-helixtrans-58.8-45.8175.4-174.7-172.1-163.200111.2E103 G109 Y110 L111E103-E107 PolarHBondContact O-N 2.92Å; E107-G109 VanDerWaalsContact C-N 3.27Å; E107-G109 PolarHBondContact O-N 3.5Å; E107-Y110 PolarHBondContact O-N 3.26Å; E107-L111 HydrophobicContact CG-CD1 3.95Å; E107-L111 HydrophobicContact CG-CG 4.31Å; E107-L111 WeakPolarHBondContact O-CB 3.04Å; E107-L111 WeakPolarHBondContact O-CG 3.43Å; E107-L111 PolarHBondContact O-N 3.36Å
108K98.3Very high97.7Very high108 Ų108104.3 Ų104.347%0.4751%0.51SS..Hα-helixtrans-62.2-30.7174.7171.4-178.7160.3-161.70113C104 L106 R112C104-K108 WeakPolarHBondContact O-CB 3.33Å; C104-K108 PolarHBondContact O-N 3.49Å; L106-K108 VanDerWaalsContact C-N 3.34Å; L106-K108 PolarHBondContact O-N 3.22Å; K108-R112 VanDerWaalsContact O-CD 3.24Å; K108-R112 WeakPolarHBondContact O-CD 3.33Å; K108-R112 WeakPolarHBondContact O-CG 3.48Å; K108-R112 PolarHBondContact O-N 2.99Å
109G98.3Very high97.3Very high24 Ų24104.2 Ų104.225%0.24752%0.517CS..Hα-helixtrans-65.3-59.4169.200000111E105 L106 E107 L111 R112 D113E105-G109 PolarHBondContact O-N 3.2Å; L106-G109 WeakPolarHBondContact O-CA 3.45Å; L106-G109 PolarHBondContact O-N 2.82Å; L106-G109 VanDerWaalsContact O-N 3.08Å; E107-G109 VanDerWaalsContact C-N 3.27Å; E107-G109 PolarHBondContact O-N 3.5Å; G109-L111 VanDerWaalsContact C-N 3.32Å; G109-L111 PolarHBondContact O-N 3.48Å; G109-R112 WeakPolarHBondContact O-CB 3.38Å; G109-R112 PolarHBondContact O-N 3.11Å; G109-D113 PolarHBondContact O-N 3.31Å
110Y98.3Very high96.8Very high171 Ų171106.8 Ų106.867%0.67152%0.52SS*.Hα-helixtrans-51.4-46.3177.8172.8-101.1000113.1L106 E107 R112 D113 A114L106-Y110 PolarHBondContact O-N 2.88Å; E107-Y110 PolarHBondContact O-N 3.26Å; Y110-R112 VanDerWaalsContact C-N 3.34Å; Y110-R112 PolarHBondContact O-N 3.18Å; Y110-D113 PolarHBondContact O-N 3.09Å; Y110-A114 WeakPolarHBondContact O-CB 3.24Å; Y110-A114 PolarHBondContact O-N 3Å
111L98.3Very high96.2Very high96 Ų96100.6 Ų100.650%0.50351%0.506SS..Hα-helixtrans-65-33.7177.9-72.7173.6000113E107 G109 N115E107-L111 HydrophobicContact CG-CD1 3.95Å; E107-L111 HydrophobicContact CG-CG 4.31Å; E107-L111 WeakPolarHBondContact O-CB 3.04Å; E107-L111 WeakPolarHBondContact O-CG 3.43Å; E107-L111 PolarHBondContact O-N 3.36Å; G109-L111 VanDerWaalsContact C-N 3.32Å; G109-L111 PolarHBondContact O-N 3.48Å; L111-N115 WeakPolarHBondContact O-CB 3.13Å; L111-N115 PolarHBondContact O-N 3.32Å
112R98.2Very high95.4Very high156 Ų156101.8 Ų101.859%0.58951%0.512SS*.Hα-helixtrans-68.7-41.7174.4-77.5164.4165.9-176.7-11.5111.5K108 G109 Y110 N115 R116K108-R112 VanDerWaalsContact O-CD 3.24Å; K108-R112 WeakPolarHBondContact O-CD 3.33Å; K108-R112 WeakPolarHBondContact O-CG 3.48Å; K108-R112 PolarHBondContact O-N 2.99Å; G109-R112 WeakPolarHBondContact O-CB 3.38Å; G109-R112 PolarHBondContact O-N 3.11Å; Y110-R112 VanDerWaalsContact C-N 3.34Å; Y110-R112 PolarHBondContact O-N 3.18Å; R112-N115 PolarHBondContact O-N 3.18Å; R112-R116 WeakPolarHBondContact O-CB 3.23Å; R112-R116 PolarHBondContact O-N 2.99Å
113D97.7Very high94.3Very high80 Ų8098.5 Ų98.543%0.42852%0.516SS..Hα-helixtrans-77.9-34.7-177.5-64.8-38.6000111.7G109 Y110 R116 S117G109-D113 PolarHBondContact O-N 3.31Å; Y110-D113 PolarHBondContact O-N 3.09Å; D113-R116 WeakPolarHBondContact O-CB 3.18Å; D113-R116 PolarHBondContact O-N 3.43Å; D113-R116 IonicContact OD1-CZ 2.88Å; D113-R116 IonicContact OD1-NE 3.13Å; D113-R116 PolarHBondContact OD1-NE 2.93Å; D113-R116 VanDerWaalsContact OD1-NE 3.15Å; D113-R116 IonicContact OD1-NH2 3.24Å; D113-R116 PolarHBondContact OD1-NH2 2.85Å; D113-S117 PolarHBondContact O-N 3.28Å; D113-S117 PolarHBondContact O-OG 3.42Å
114A96.9Very high93.1Very high35 Ų3594.7 Ų94.729%0.28951%0.505SS..Hα-helixtrans-60.7-43.5166.200000112.1Y110 R116 S117 L118Y110-A114 WeakPolarHBondContact O-CB 3.24Å; Y110-A114 PolarHBondContact O-N 3Å; A114-R116 VanDerWaalsContact C-N 3.34Å; A114-S117 PolarHBondContact O-N 3.3Å; A114-L118 WeakPolarHBondContact O-CB 3.36Å; A114-L118 WeakPolarHBondContact O-CG 3.32Å; A114-L118 PolarHBondContact O-N 3.3Å
115N96.4Very high91Very high101 Ų10198.3 Ų98.354%0.5453%0.528SS..Hα-helixtrans-65.8-36.4175.5-170.4-67.7000111.9L111 R112 L118 S119L111-N115 WeakPolarHBondContact O-CB 3.13Å; L111-N115 PolarHBondContact O-N 3.32Å; R112-N115 PolarHBondContact O-N 3.18Å; N115-L118 PolarHBondContact O-N 2.99Å; N115-S119 WeakPolarHBondContact O-CB 3.41Å; N115-S119 PolarHBondContact O-N 3.43Å; N115-S119 PolarHBondContact O-OG 3.21Å; N115-S119 PolarHBondContact OD1-OG 3.03Å
116R95.6Very high89.2Confident149 Ų14996 Ų9656%0.56253%0.531SS*.Hα-helixtrans-61.5-51.2171.6-172.9-163.3-47.5-74.7-3.2111R112 D113 A114 L118 S119 E120R112-R116 WeakPolarHBondContact O-CB 3.23Å; R112-R116 PolarHBondContact O-N 2.99Å; D113-R116 WeakPolarHBondContact O-CB 3.18Å; D113-R116 PolarHBondContact O-N 3.43Å; D113-R116 IonicContact OD1-CZ 2.88Å; D113-R116 IonicContact OD1-NE 3.13Å; D113-R116 PolarHBondContact OD1-NE 2.93Å; D113-R116 VanDerWaalsContact OD1-NE 3.15Å; D113-R116 IonicContact OD1-NH2 3.24Å; D113-R116 PolarHBondContact OD1-NH2 2.85Å; A114-R116 VanDerWaalsContact C-N 3.34Å; R116-L118 VanDerWaalsContact C-N 3.31Å; R116-L118 PolarHBondContact O-N 3.31Å; R116-S119 CarbonylContact O-C 3.57Å; R116-S119 PolarHBondContact O-N 3.36Å; R116-S119 VanDerWaalsContact O-N 3.13Å; R116-E120 VanDerWaalsContact O-CB 3.31Å; R116-E120 WeakPolarHBondContact O-CB 3.38Å; R116-E120 PolarHBondContact O-N 3.37Å
117S95.4Very high87.2Confident70 Ų7093.1 Ų93.149%0.4952%0.522SS..Hα-helixtrans-63.7-33.9178.8-62.70000112.9D113 A114 A121D113-S117 PolarHBondContact O-N 3.28Å; D113-S117 PolarHBondContact O-OG 3.42Å; A114-S117 PolarHBondContact O-N 3.3Å; S117-A121 VanDerWaalsContact O-CB 3.23Å; S117-A121 WeakPolarHBondContact O-CB 3.4Å; S117-A121 PolarHBondContact O-N 3.06Å
118L93.7Very high85.2Confident114 Ų11488.4 Ų88.460%0.59750%0.504SS*.Hα-helixtrans-69-40.9171.3-72.4171.1000112.2A114 N115 R116 A121 L122A114-L118 WeakPolarHBondContact O-CB 3.36Å; A114-L118 WeakPolarHBondContact O-CG 3.32Å; A114-L118 PolarHBondContact O-N 3.3Å; N115-L118 PolarHBondContact O-N 2.99Å; R116-L118 VanDerWaalsContact C-N 3.31Å; R116-L118 PolarHBondContact O-N 3.31Å; L118-A121 PolarHBondContact O-N 2.96Å; L118-L122 WeakPolarHBondContact O-CB 3.26Å; L118-L122 VanDerWaalsContact O-CG 3.26Å; L118-L122 WeakPolarHBondContact O-CG 3.31Å; L118-L122 PolarHBondContact O-N 3.48Å
119S89.3Confident83.3Confident65 Ų6587.5 Ų87.546%0.45551%0.511SS..Hα-helixtrans-67.1-37.9176.4-59.50000111.9N115 R116 G123N115-S119 WeakPolarHBondContact O-CB 3.41Å; N115-S119 PolarHBondContact O-N 3.43Å; N115-S119 PolarHBondContact O-OG 3.21Å; N115-S119 PolarHBondContact OD1-OG 3.03Å; R116-S119 CarbonylContact O-C 3.57Å; R116-S119 PolarHBondContact O-N 3.36Å; R116-S119 VanDerWaalsContact O-N 3.13Å; S119-G123 PolarHBondContact O-N 2.92Å
120E88.9Confident81.3Confident131 Ų13189.5 Ų89.561%0.61253%0.526SS*.Hα-helixtrans-66.5-46.6173.2-177.2177.5-179.900110.8R116 L122 G123 A124R116-E120 VanDerWaalsContact O-CB 3.31Å; R116-E120 WeakPolarHBondContact O-CB 3.38Å; R116-E120 PolarHBondContact O-N 3.37Å; E120-L122 PolarHBondContact O-N 3.23Å; E120-G123 CarbonylContact O-C 3.54Å; E120-G123 PolarHBondContact O-N 3.26Å; E120-A124 VanDerWaalsContact O-CB 3.28Å; E120-A124 WeakPolarHBondContact O-CB 3.37Å; E120-A124 PolarHBondContact O-N 3.03Å
121A86Confident79.3Confident43 Ų4387.3 Ų87.336%0.35553%0.525SS..Hα-helixtrans-60.2-4417500000112S117 L118 A124 S127S117-A121 VanDerWaalsContact O-CB 3.23Å; S117-A121 WeakPolarHBondContact O-CB 3.4Å; S117-A121 PolarHBondContact O-N 3.06Å; L118-A121 PolarHBondContact O-N 2.96Å; A121-A124 PolarHBondContact O-N 2.81Å; A121-S127 WeakPolarHBondContact O-CB 3.34Å
122L82.1Confident77.3Confident127 Ų12790.2 Ų90.267%0.66553%0.529SS*.Hα-helixtrans-69.9-34.1177.2-70.9170.1000113.1L118 E120L118-L122 WeakPolarHBondContact O-CB 3.26Å; L118-L122 VanDerWaalsContact O-CG 3.26Å; L118-L122 WeakPolarHBondContact O-CG 3.31Å; L118-L122 PolarHBondContact O-N 3.48Å; E120-L122 PolarHBondContact O-N 3.23Å
123G74.9Confident75.4Confident62 Ų6287 Ų8764%0.63953%0.527SS*.Hα-helixtrans-79.8-16175.200000114.4S119 E120S119-G123 PolarHBondContact O-N 2.92Å; E120-G123 CarbonylContact O-C 3.54Å; E120-G123 PolarHBondContact O-N 3.26Å
124A72.8Confident73.6Confident43 Ų4389.3 Ų89.336%0.35553%0.533SS..SBendtrans-67.612718000000110.7E120 A121 G126 S127E120-A124 VanDerWaalsContact O-CB 3.28Å; E120-A124 WeakPolarHBondContact O-CB 3.37Å; E120-A124 PolarHBondContact O-N 3.03Å; A121-A124 PolarHBondContact O-N 2.81Å; A124-G126 VanDerWaalsContact C-N 3.31Å; A124-G126 PolarHBondContact O-N 3.2Å; A124-S127 PolarHBondContact O-N 2.87Å
125P53.8Low72Confident141 Ų14190.8 Ų90.892%0.91654%0.541SS*.THydrogen-bonded Turntrans-69.285.4-176.728.3-35.2000111.3
126G62Low70.4Confident51 Ų5188.9 Ų88.953%0.52654%0.536SS..THydrogen-bonded Turntrans159.6-35.8179.900000114.1A124 G128 R132A124-G126 VanDerWaalsContact C-N 3.31Å; A124-G126 PolarHBondContact O-N 3.2Å; G126-G128 VanDerWaalsContact C-N 3.34Å; G126-G128 PolarHBondContact O-N 2.9Å; G126-R132 PolarHBondContact O-NH2 3.13Å
127S57.1Low68.9Low75 Ų7587 Ų8752%0.52454%0.537SS..  trans-79.5-12.1-171.7-159.90000114.7A121 A124 S129A121-S127 WeakPolarHBondContact O-CB 3.34Å; A124-S127 PolarHBondContact O-N 2.87Å; S127-S129 PolarHBondContact O-N 3.4Å
128G56.3Low67.8Low15 Ų1590.1 Ų90.116%0.15554%0.544CS..  trans-71.562.6-177.900000113.6G126 L131 R132G126-G128 VanDerWaalsContact C-N 3.34Å; G126-G128 PolarHBondContact O-N 2.9Å; G128-L131 PolarHBondContact O-N 2.85Å; G128-R132 WeakPolarHBondContact O-CB 3.5Å; G128-R132 PolarHBondContact O-N 3.43Å
129S56.3Low67.6Low89 Ų8987.8 Ų87.862%0.62253%0.532SS*.Hα-helixtrans-63.3-42174-177.20000111.4S127 T133S127-S129 PolarHBondContact O-N 3.4Å; S129-T133 PolarHBondContact O-N 2.77Å; S129-T133 PolarHBondContact O-OG1 3.15Å
130A56.8Low67.6Low66 Ų6691.7 Ų91.755%0.54554%0.543SS..Hα-helixtrans-71.1-38.4171.800000112.6R132 T133 F134A130-R132 VanDerWaalsContact C-N 3.32Å; A130-R132 PolarHBondContact O-N 3.48Å; A130-T133 WeakPolarHBondContact CA-OG1 3.35Å; A130-T133 PolarHBondContact O-N 2.92Å; A130-T133 PolarHBondContact O-OG1 3.49Å; A130-F134 WeakPolarHBondContact O-CD2 3.43Å; A130-F134 PolarHBondContact O-N 2.87Å
131L56Low67.6Low124 Ų12488.9 Ų88.965%0.64954%0.537SS*.Hα-helixtrans-67.6-34.6178.1-144.979000111.6G128 F134 S135G128-L131 PolarHBondContact O-N 2.85Å; L131-F134 PolarHBondContact O-N 2.77Å; L131-S135 WeakPolarHBondContact O-CB 3.41Å; L131-S135 PolarHBondContact O-N 3.27Å
132R57.5Low67.9Low157 Ų15789 Ų8959%0.59253%0.534SS*.Hα-helixtrans-66.7-32.8174.1-172.1-178.7-61.3150.47.1112.2G126 G128 A130 F134 S136G126-R132 PolarHBondContact O-NH2 3.13Å; G128-R132 WeakPolarHBondContact O-CB 3.5Å; G128-R132 PolarHBondContact O-N 3.43Å; A130-R132 VanDerWaalsContact C-N 3.32Å; A130-R132 PolarHBondContact O-N 3.48Å; R132-F134 VanDerWaalsContact C-N 3.32Å; R132-S136 WeakPolarHBondContact O-CB 3.46Å; R132-S136 PolarHBondContact O-N 2.83Å
133T57.5Low68.4Low88 Ų8886.4 Ų86.454%0.5452%0.52SS..Hα-helixtrans-70.9-26172.942.10000113.4S129 A130S129-T133 PolarHBondContact O-N 2.77Å; S129-T133 PolarHBondContact O-OG1 3.15Å; A130-T133 WeakPolarHBondContact CA-OG1 3.35Å; A130-T133 PolarHBondContact O-N 2.92Å; A130-T133 PolarHBondContact O-OG1 3.49Å
134F60.7Low69.4Low129 Ų12989.8 Ų89.857%0.56652%0.519SS*.Hα-helixtrans-78.1-48.8168.1-66.2-66.4000111.2A130 L131 R132 S136 L137 E138A130-F134 WeakPolarHBondContact O-CD2 3.43Å; A130-F134 PolarHBondContact O-N 2.87Å; L131-F134 PolarHBondContact O-N 2.77Å; R132-F134 VanDerWaalsContact C-N 3.32Å; F134-S136 PolarHBondContact O-N 3.46Å; F134-S136 VanDerWaalsContact O-N 3.12Å; F134-L137 CarbonylContact O-C 3.59Å; F134-L137 WeakPolarHBondContact O-CA 3.28Å; F134-L137 WeakPolarHBondContact O-CB 3.45Å; F134-L137 PolarHBondContact O-N 2.97Å; F134-E138 WeakPolarHBondContact O-CG 3.36Å; F134-E138 PolarHBondContact O-N 3.41Å
135S63.1Low70.5Confident66 Ų6691.4 Ų91.446%0.46253%0.528SS..Hα-helixtrans-60.8-22.4177.1166.50000114.4L131 E138 D139L131-S135 WeakPolarHBondContact O-CB 3.41Å; L131-S135 PolarHBondContact O-N 3.27Å; S135-E138 WeakPolarHBondContact CA-OE2 3.43Å; S135-E138 CarbonylContact O-C 3.57Å; S135-D139 PolarHBondContact O-N 2.95Å
136S62.7Low72.4Confident62 Ų6287.9 Ų87.943%0.43450%0.501SS..THydrogen-bonded Turntrans-83.7-10.8172.2-175.20000113.9R132 F134R132-S136 WeakPolarHBondContact O-CB 3.46Å; R132-S136 PolarHBondContact O-N 2.83Å; F134-S136 PolarHBondContact O-N 3.46Å; F134-S136 VanDerWaalsContact O-N 3.12Å
137L65.1Low74Confident109 Ų10991.2 Ų91.257%0.57150%0.503SS*.THydrogen-bonded Turntrans-96.7-17166.7-66170.8000111.4F134 D139 L143F134-L137 CarbonylContact O-C 3.59Å; F134-L137 WeakPolarHBondContact O-CA 3.28Å; F134-L137 WeakPolarHBondContact O-CB 3.45Å; F134-L137 PolarHBondContact O-N 2.97Å; L137-D139 VanDerWaalsContact C-N 3.29Å; L137-L143 WeakPolarHBondContact O-CD2 3.06Å
138E72Confident76Confident136 Ų13690.9 Ų90.964%0.63650%0.495SS*.SBendtrans-87.74.2167.9-60.5163.4170.200112F134 S135 E140F134-E138 WeakPolarHBondContact O-CG 3.36Å; F134-E138 PolarHBondContact O-N 3.41Å; S135-E138 WeakPolarHBondContact CA-OE2 3.43Å; S135-E138 CarbonylContact O-C 3.57Å; E138-E140 PolarHBondContact O-N 3.35Å
139D88.4Confident77.9Confident65 Ų6593 Ų9335%0.34851%0.508SS..  trans-76.1110.8175-176.6-25.1000109.7S135 L137 S141 V142 L143S135-D139 PolarHBondContact O-N 2.95Å; L137-D139 VanDerWaalsContact C-N 3.29Å; D139-S141 PolarHBondContact O-N 2.79Å; D139-S141 VanDerWaalsContact O-N 3.09Å; D139-S141 WeakPolarHBondContact OD1-CB 3.14Å; D139-S141 PolarHBondContact OD1-N 3.21Å; D139-S141 PolarHBondContact OD1-OG 2.79Å; D139-S141 PolarHBondContact OD2-OG 3.04Å; D139-V142 HydrophobicContact CB-CB 4.11Å; D139-V142 HydrophobicContact CB-CG2 3.86Å; D139-V142 WeakPolarHBondContact O-CA 3.38Å; D139-V142 WeakPolarHBondContact O-CB 3.33Å; D139-V142 PolarHBondContact O-N 3.41Å; D139-L143 PolarHBondContact O-N 3.4Å
140E89.4Confident79.9Confident147 Ų14794.4 Ų94.469%0.68750%0.503SS*.Hα-helixtrans-52.2-31.2178.9-63.2-68.3174.600113.1E138 L143 E144E138-E140 PolarHBondContact O-N 3.35Å; E140-L143 PolarHBondContact O-N 3.28Å; E140-E144 WeakPolarHBondContact O-CB 3.47Å; E140-E144 PolarHBondContact O-N 2.86Å
141S89.3Confident81.9Confident71 Ų7195.5 Ų95.550%0.49750%0.499SS..Hα-helixtrans-74.9-29177.374.10000112.9D139 S145D139-S141 PolarHBondContact O-N 2.79Å; D139-S141 VanDerWaalsContact O-N 3.09Å; D139-S141 WeakPolarHBondContact OD1-CB 3.14Å; D139-S141 PolarHBondContact OD1-N 3.21Å; D139-S141 PolarHBondContact OD1-OG 2.79Å; D139-S141 PolarHBondContact OD2-OG 3.04Å; S141-S145 VanDerWaalsContact O-CB 3.27Å; S141-S145 WeakPolarHBondContact O-CB 3.14Å; S141-S145 PolarHBondContact O-N 3.45Å; S141-S145 VanDerWaalsContact O-N 3.14Å
142V92.2Very high83.9Confident46 Ų4695.7 Ų95.728%0.27950%0.495SS..Hα-helixtrans-74.6-39.7170.9177.20000109.8D139 S145 I146D139-V142 HydrophobicContact CB-CB 4.11Å; D139-V142 HydrophobicContact CB-CG2 3.86Å; D139-V142 WeakPolarHBondContact O-CA 3.38Å; D139-V142 WeakPolarHBondContact O-CB 3.33Å; D139-V142 PolarHBondContact O-N 3.41Å; V142-S145 WeakPolarHBondContact O-CB 3.47Å; V142-S145 PolarHBondContact O-N 3.46Å; V142-I146 HydrophobicContact CG1-CD1 3.91Å; V142-I146 WeakPolarHBondContact O-CB 3.38Å; V142-I146 VanDerWaalsContact O-CG1 3.25Å; V142-I146 WeakPolarHBondContact O-CG1 3.42Å; V142-I146 PolarHBondContact O-N 2.72Å
143L93.6Very high85.8Confident73 Ų7393.3 Ų93.338%0.38249%0.489SS..Hα-helixtrans-64.7-46.2175.6-66.3173.9000112.1L137 D139 E140 S145 I146 E147L137-L143 WeakPolarHBondContact O-CD2 3.06Å; D139-L143 PolarHBondContact O-N 3.4Å; E140-L143 PolarHBondContact O-N 3.28Å; L143-S145 VanDerWaalsContact C-N 3.31Å; L143-S145 PolarHBondContact O-N 3.42Å; L143-I146 PolarHBondContact O-N 3.32Å; L143-E147 PolarHBondContact O-N 3.29Å
144E94.8Very high87.7Confident132 Ų13293.9 Ų93.962%0.61749%0.486SS*.Hα-helixtrans-60-41.5173.6-172.6-17117400111.1E140 I146 E147 N148E140-E144 WeakPolarHBondContact O-CB 3.47Å; E140-E144 PolarHBondContact O-N 2.86Å; E144-I146 VanDerWaalsContact C-N 3.35Å; E144-I146 PolarHBondContact O-N 3.27Å; E144-E147 PolarHBondContact O-N 3.45Å; E144-N148 WeakPolarHBondContact O-CB 3.44Å; E144-N148 PolarHBondContact O-N 2.79Å
145S95.9Very high89.5Confident78 Ų7890.5 Ų90.555%0.54548%0.481SS..Hα-helixtrans-62-41.2175.6-172.70000112.2S141 V142 L143 S149S141-S145 VanDerWaalsContact O-CB 3.27Å; S141-S145 WeakPolarHBondContact O-CB 3.14Å; S141-S145 PolarHBondContact O-N 3.45Å; S141-S145 VanDerWaalsContact O-N 3.14Å; V142-S145 WeakPolarHBondContact O-CB 3.47Å; V142-S145 PolarHBondContact O-N 3.46Å; L143-S145 VanDerWaalsContact C-N 3.31Å; L143-S145 PolarHBondContact O-N 3.42Å; S145-S149 WeakPolarHBondContact O-CB 3.14Å; S145-S149 PolarHBondContact O-N 3.44Å
146I94.7Very high91.2Very high67 Ų6792.5 Ų92.534%0.34448%0.482SS..Hα-helixtrans-65.8-48.1175-71.7165.2000110.8V142 L143 E144 N148 S149 F150V142-I146 HydrophobicContact CG1-CD1 3.91Å; V142-I146 WeakPolarHBondContact O-CB 3.38Å; V142-I146 VanDerWaalsContact O-CG1 3.25Å; V142-I146 WeakPolarHBondContact O-CG1 3.42Å; V142-I146 PolarHBondContact O-N 2.72Å; L143-I146 PolarHBondContact O-N 3.32Å; E144-I146 VanDerWaalsContact C-N 3.35Å; E144-I146 PolarHBondContact O-N 3.27Å; I146-N148 PolarHBondContact O-N 3.34Å; I146-S149 WeakPolarHBondContact O-CA 3.25Å; I146-S149 WeakPolarHBondContact O-CB 3.44Å; I146-S149 PolarHBondContact O-N 2.77Å; I146-S149 PolarHBondContact O-OG 2.98Å; I146-F150 HydrophobicContact CG2-CD2 3.82Å; I146-F150 HydrophobicContact CG2-CE2 3.53Å; I146-F150 WeakPolarHBondContact O-CD2 3.45Å; I146-F150 PolarHBondContact O-N 2.88Å
147E95.8Very high92.8Very high121 Ų12192.8 Ų92.857%0.56548%0.478SS*.Hα-helixtrans-60.5-45177.4-171.8-175.9166.600111.4L143 E144 S149 F150 N151L143-E147 PolarHBondContact O-N 3.29Å; E144-E147 PolarHBondContact O-N 3.45Å; E147-S149 PolarHBondContact O-N 3.41Å; E147-F150 PolarHBondContact O-N 3.2Å; E147-F150 VanDerWaalsContact O-N 3.08Å; E147-N151 PolarHBondContact O-N 3.47Å; E147-N151 PolarHBondContact O-ND2 3.34Å
148N97.3Very high94.3Very high68 Ų6891 Ų9136%0.36447%0.469SS..Hα-helixtrans-60.4-33.8174.5-168.2-16.5000111.6E144 I146 K152E144-N148 WeakPolarHBondContact O-CB 3.44Å; E144-N148 PolarHBondContact O-N 2.79Å; I146-N148 PolarHBondContact O-N 3.34Å; N148-K152 VanDerWaalsContact CG-NZ 3.33Å; N148-K152 WeakPolarHBondContact O-CB 3.21Å; N148-K152 WeakPolarHBondContact O-CD 3.4Å; N148-K152 VanDerWaalsContact O-CG 3.27Å; N148-K152 WeakPolarHBondContact O-CG 3.46Å; N148-K152 PolarHBondContact O-N 3.47Å; N148-K152 WeakPolarHBondContact OD1-CE 3.49Å; N148-K152 PolarHBondContact OD1-NZ 3.48Å
149S97.4Very high95.6Very high60 Ų6089.8 Ų89.842%0.4247%0.466SS..Hα-helixtrans-68.2-39.8172.585.70000112.9S145 I146 E147 K152 F153S145-S149 WeakPolarHBondContact O-CB 3.14Å; S145-S149 PolarHBondContact O-N 3.44Å; I146-S149 WeakPolarHBondContact O-CA 3.25Å; I146-S149 WeakPolarHBondContact O-CB 3.44Å; I146-S149 PolarHBondContact O-N 2.77Å; I146-S149 PolarHBondContact O-OG 2.98Å; E147-S149 PolarHBondContact O-N 3.41Å; S149-K152 PolarHBondContact O-N 3.06Å; S149-F153 WeakPolarHBondContact O-CB 3.32Å; S149-F153 PolarHBondContact O-N 2.89Å
150F98.1Very high95.9Very high118 Ų11889.3 Ų89.352%0.51846%0.464SS..Hα-helixtrans-67.2-41.6173.7-76.8-64.1000112I146 E147 K152 F153 H154I146-F150 HydrophobicContact CG2-CD2 3.82Å; I146-F150 HydrophobicContact CG2-CE2 3.53Å; I146-F150 WeakPolarHBondContact O-CD2 3.45Å; I146-F150 PolarHBondContact O-N 2.88Å; E147-F150 PolarHBondContact O-N 3.2Å; E147-F150 VanDerWaalsContact O-N 3.08Å; F150-K152 VanDerWaalsContact C-N 3.33Å; F150-K152 PolarHBondContact O-N 2.89Å; F150-F153 WeakPolarHBondContact O-CB 3.4Å; F150-F153 PolarHBondContact O-N 3.35Å; F150-F153 VanDerWaalsContact O-N 3.12Å; F150-H154 PolarHBondContact O-CD2 2.85Å; F150-H154 PolarHBondContact O-N 2.98Å
151N97.9Very high96.1Very high89 Ų8988.3 Ų88.348%0.47646%0.457SS..Hα-helixtrans-61.7-40.5175.6-74.2-32.7000111.6E147 H154 A155E147-N151 PolarHBondContact O-N 3.47Å; E147-N151 PolarHBondContact O-ND2 3.34Å; N151-H154 PolarHBondContact O-N 2.75Å; N151-A155 WeakPolarHBondContact O-CB 3.48Å; N151-A155 PolarHBondContact O-N 2.83Å
152K98.1Very high96.4Very high128 Ų12891.5 Ų91.556%0.55747%0.468SS*.Hα-helixtrans-64.4-39.3171.2-74.2162.3179.61440112.8N148 S149 F150 A155 F156N148-K152 VanDerWaalsContact CG-NZ 3.33Å; N148-K152 WeakPolarHBondContact O-CB 3.21Å; N148-K152 WeakPolarHBondContact O-CD 3.4Å; N148-K152 VanDerWaalsContact O-CG 3.27Å; N148-K152 WeakPolarHBondContact O-CG 3.46Å; N148-K152 PolarHBondContact O-N 3.47Å; N148-K152 WeakPolarHBondContact OD1-CE 3.49Å; N148-K152 PolarHBondContact OD1-NZ 3.48Å; S149-K152 PolarHBondContact O-N 3.06Å; F150-K152 VanDerWaalsContact C-N 3.33Å; F150-K152 PolarHBondContact O-N 2.89Å; K152-A155 PolarHBondContact O-N 3.23Å; K152-F156 WeakPolarHBondContact O-CB 3.48Å; K152-F156 PolarHBondContact O-N 3.12Å
153F98.3Very high96.6Very high106 Ų10692.6 Ų92.647%0.46548%0.483SS..Hα-helixtrans-65.2-42.2175.9177-108.9000111.9S149 F150 F156 L157S149-F153 WeakPolarHBondContact O-CB 3.32Å; S149-F153 PolarHBondContact O-N 2.89Å; F150-F153 WeakPolarHBondContact O-CB 3.4Å; F150-F153 PolarHBondContact O-N 3.35Å; F150-F153 VanDerWaalsContact O-N 3.12Å; F153-F156 WeakPolarHBondContact O-CB 3.47Å; F153-F156 PolarHBondContact O-N 3.01Å; F153-L157 HydrophobicContact CD1-CD1 4.15Å; F153-L157 HydrophobicContact CE1-CD1 3.57Å; F153-L157 HydrophobicContact CE1-CG 4.22Å; F153-L157 HydrophobicContact CE2-CD2 4.38Å; F153-L157 HydrophobicContact CE2-CG 4.35Å; F153-L157 HydrophobicContact CZ-CD1 3.78Å; F153-L157 HydrophobicContact CZ-CD2 4.22Å; F153-L157 HydrophobicContact CZ-CG 4.1Å; F153-L157 WeakPolarHBondContact O-CG 3.43Å; F153-L157 PolarHBondContact O-N 3.13Å
154H97.9Very high96.6Very high101 Ų10190 Ų9047%0.46847%0.473SS..Hα-helixtrans-63.1-46.5173.8-74.7-61000111.9F150 N151 F156 L157 D158F150-H154 PolarHBondContact O-CD2 2.85Å; F150-H154 PolarHBondContact O-N 2.98Å; N151-H154 PolarHBondContact O-N 2.75Å; H154-F156 PolarHBondContact O-N 3.18Å; H154-L157 CarbonylContact O-C 3.58Å; H154-L157 PolarHBondContact O-N 3.27Å; H154-D158 VanDerWaalsContact O-CG 3.31Å; H154-D158 PolarHBondContact O-N 2.9Å
155A98.2Very high96.5Very high57 Ų5787.8 Ų87.847%0.47147%0.465SS..Hα-helixtrans-60.2-32.5174.700000113.1N151 K152 L159N151-A155 WeakPolarHBondContact O-CB 3.48Å; N151-A155 PolarHBondContact O-N 2.83Å; K152-A155 PolarHBondContact O-N 3.23Å; A155-L159 WeakPolarHBondContact O-CB 3.27Å; A155-L159 PolarHBondContact O-N 2.85Å
156F97.9Very high96.1Very high109 Ų10986.3 Ų86.348%0.47846%0.462SS..Hα-helixtrans-69.5-42.1171.8173.1-105000112.4K152 F153 H154 D158 L159 L160K152-F156 WeakPolarHBondContact O-CB 3.48Å; K152-F156 PolarHBondContact O-N 3.12Å; F153-F156 WeakPolarHBondContact O-CB 3.47Å; F153-F156 PolarHBondContact O-N 3.01Å; H154-F156 PolarHBondContact O-N 3.18Å; F156-D158 VanDerWaalsContact C-N 3.3Å; F156-D158 PolarHBondContact O-N 3.4Å; F156-L159 PolarHBondContact O-N 3.08Å; F156-L160 HydrophobicContact CD1-CD1 4.3Å; F156-L160 HydrophobicContact CE1-CD1 3.62Å; F156-L160 HydrophobicContact CE1-CG 4.19Å; F156-L160 HydrophobicContact CE2-CD1 4.48Å; F156-L160 HydrophobicContact CE2-CD2 4.24Å; F156-L160 HydrophobicContact CE2-CG 4.29Å; F156-L160 HydrophobicContact CZ-CD1 3.74Å; F156-L160 HydrophobicContact CZ-CD2 4.14Å; F156-L160 HydrophobicContact CZ-CG 4.02Å; F156-L160 WeakPolarHBondContact O-CG 3.47Å; F156-L160 PolarHBondContact O-N 3.23Å
157L96.8Very high96Very high67 Ų6788.8 Ų88.835%0.35147%0.472SS..Hα-helixtrans-64.9-33.9173.2-67.7-178000112.4F153 H154 L160 K161F153-L157 HydrophobicContact CD1-CD1 4.15Å; F153-L157 HydrophobicContact CE1-CD1 3.57Å; F153-L157 HydrophobicContact CE1-CG 4.22Å; F153-L157 HydrophobicContact CE2-CD2 4.38Å; F153-L157 HydrophobicContact CE2-CG 4.35Å; F153-L157 HydrophobicContact CZ-CD1 3.78Å; F153-L157 HydrophobicContact CZ-CD2 4.22Å; F153-L157 HydrophobicContact CZ-CG 4.1Å; F153-L157 WeakPolarHBondContact O-CG 3.43Å; F153-L157 PolarHBondContact O-N 3.13Å; H154-L157 CarbonylContact O-C 3.58Å; H154-L157 PolarHBondContact O-N 3.27Å; L157-L160 PolarHBondContact O-N 2.93Å; L157-K161 WeakPolarHBondContact O-CE 3.38Å; L157-K161 WeakPolarHBondContact O-CG 3.46Å; L157-K161 PolarHBondContact O-N 3.48Å; L157-K161 VanDerWaalsContact O-N 3.11Å
158D97.1Very high95.7Very high71 Ų7188.1 Ų88.138%0.3847%0.471SS..Hα-helixtrans-62.7-50.3171.7-66.9-29.6000110.7H154 F156 L160 K161 D162H154-D158 VanDerWaalsContact O-CG 3.31Å; H154-D158 PolarHBondContact O-N 2.9Å; F156-D158 VanDerWaalsContact C-N 3.3Å; F156-D158 PolarHBondContact O-N 3.4Å; D158-L160 VanDerWaalsContact C-N 3.28Å; D158-L160 PolarHBondContact O-N 3.27Å; D158-K161 WeakPolarHBondContact O-CB 3.46Å; D158-K161 PolarHBondContact O-N 3.18Å; D158-K161 WeakPolarHBondContact OD1-CE 3.38Å; D158-K161 IonicContact OD1-NZ 3.62Å; D158-K161 PolarHBondContact OD1-NZ 3.09Å; D158-D162 PolarHBondContact O-N 3.49Å
159L97.8Very high95.4Very high111 Ų11186.3 Ų86.358%0.58147%0.466SS*.Hα-helixtrans-56.6-37.7174.6-178.962.5000113.2A155 F156 A163A155-L159 WeakPolarHBondContact O-CB 3.27Å; A155-L159 PolarHBondContact O-N 2.85Å; F156-L159 PolarHBondContact O-N 3.08Å; L159-A163 WeakPolarHBondContact O-CB 3.5Å; L159-A163 PolarHBondContact O-N 2.91Å
160L95.9Very high95.1Very high56 Ų5686.4 Ų86.429%0.29347%0.467SS..Hα-helixtrans-69.4-33.4175.7-68.7-173.3000113.3F156 L157 D158 L165F156-L160 HydrophobicContact CD1-CD1 4.3Å; F156-L160 HydrophobicContact CE1-CD1 3.62Å; F156-L160 HydrophobicContact CE1-CG 4.19Å; F156-L160 HydrophobicContact CE2-CD1 4.48Å; F156-L160 HydrophobicContact CE2-CD2 4.24Å; F156-L160 HydrophobicContact CE2-CG 4.29Å; F156-L160 HydrophobicContact CZ-CD1 3.74Å; F156-L160 HydrophobicContact CZ-CD2 4.14Å; F156-L160 HydrophobicContact CZ-CG 4.02Å; F156-L160 WeakPolarHBondContact O-CG 3.47Å; F156-L160 PolarHBondContact O-N 3.23Å; L157-L160 PolarHBondContact O-N 2.93Å; D158-L160 VanDerWaalsContact C-N 3.28Å; D158-L160 PolarHBondContact O-N 3.27Å; L160-L165 HydrophobicContact CB-CD2 4.26Å; L160-L165 HydrophobicContact CD1-CD2 4.11Å; L160-L165 HydrophobicContact CD2-CD2 4.17Å; L160-L165 HydrophobicContact CG-CD2 4.42Å; L160-L165 WeakPolarHBondContact O-CB 3.48Å; L160-L165 PolarHBondContact O-N 3.34Å
161K93.9Very high94.7Very high125 Ų12588.6 Ų88.654%0.54348%0.481SS..Hα-helixtrans-69.6-45.6173-70.8174.9-63.2178.80110.8L157 D158 A163 G164L157-K161 WeakPolarHBondContact O-CE 3.38Å; L157-K161 WeakPolarHBondContact O-CG 3.46Å; L157-K161 PolarHBondContact O-N 3.48Å; L157-K161 VanDerWaalsContact O-N 3.11Å; D158-K161 WeakPolarHBondContact O-CB 3.46Å; D158-K161 PolarHBondContact O-N 3.18Å; D158-K161 WeakPolarHBondContact OD1-CE 3.38Å; D158-K161 IonicContact OD1-NZ 3.62Å; D158-K161 PolarHBondContact OD1-NZ 3.09Å; K161-A163 VanDerWaalsContact C-N 3.31Å; K161-A163 PolarHBondContact O-N 2.96Å; K161-G164 PolarHBondContact O-N 2.84Å
162D95.9Very high94.4Very high138 Ų13887.9 Ų87.974%0.73849%0.487SS*.Hα-helixtrans-67-32.6-179.3-67.9-11.8000112D158 G164D158-D162 PolarHBondContact O-N 3.49Å; D162-G164 PolarHBondContact O-N 3.42Å
163A96.5Very high94Very high70 Ų7084 Ų8458%0.57948%0.483SS*.THydrogen-bonded Turntrans-70.6-0.4170.300000114.3L159 K161 L165L159-A163 WeakPolarHBondContact O-CB 3.5Å; L159-A163 PolarHBondContact O-N 2.91Å; K161-A163 VanDerWaalsContact C-N 3.31Å; K161-A163 PolarHBondContact O-N 2.96Å; A163-L165 PolarHBondContact O-N 3.42Å
164G92.9Very high93.5Very high17 Ų1782.9 Ų82.918%0.17548%0.481CS..THydrogen-bonded Turntrans7618.4175.700000115.1K161 D162 G166 Q167 L168K161-G164 PolarHBondContact O-N 2.84Å; D162-G164 PolarHBondContact O-N 3.42Å; G164-G166 VanDerWaalsContact C-N 3.27Å; G164-G166 PolarHBondContact O-N 3.35Å; G164-Q167 VanDerWaalsContact C-OE1 3.27Å; G164-Q167 VanDerWaalsContact CA-OE1 3.27Å; G164-Q167 WeakPolarHBondContact O-CB 3.44Å; G164-Q167 PolarHBondContact O-N 3.12Å; G164-Q167 VanDerWaalsContact O-N 3.13Å; G164-Q167 PolarHBondContact O-OE1 2.94Å; G164-L168 PolarHBondContact O-N 3.44Å; G164-L168 VanDerWaalsContact O-N 3.08Å
165L91.9Very high93Very high87 Ų8781.3 Ų81.346%0.45548%0.476SS..Hα-helixtrans-61.8-33.8-174.5-175.861.9000112.6L160 A163 L168 A169L160-L165 HydrophobicContact CB-CD2 4.26Å; L160-L165 HydrophobicContact CD1-CD2 4.11Å; L160-L165 HydrophobicContact CD2-CD2 4.17Å; L160-L165 HydrophobicContact CG-CD2 4.42Å; L160-L165 WeakPolarHBondContact O-CB 3.48Å; L160-L165 PolarHBondContact O-N 3.34Å; A163-L165 PolarHBondContact O-N 3.42Å; L165-L168 PolarHBondContact O-N 3.03Å; L165-A169 WeakPolarHBondContact O-CB 3.45Å; L165-A169 PolarHBondContact O-N 3Å
166G88.4Confident92.2Very high46 Ų4685 Ų8547%0.47449%0.494SS..Hα-helixtrans-66.2-36176.600000113.2G164 A169 S170G164-G166 VanDerWaalsContact C-N 3.27Å; G164-G166 PolarHBondContact O-N 3.35Å; G166-A169 PolarHBondContact O-N 2.66Å; G166-S170 WeakPolarHBondContact O-CB 3.45Å; G166-S170 PolarHBondContact O-N 3.46Å
167Q91.6Very high91.4Very high120 Ų12083.4 Ų83.456%0.56150%0.496SS*.Hα-helixtrans-69.6-42.7175.6-65.482.6-2300110.4G164 S170 M171G164-Q167 VanDerWaalsContact C-OE1 3.27Å; G164-Q167 VanDerWaalsContact CA-OE1 3.27Å; G164-Q167 WeakPolarHBondContact O-CB 3.44Å; G164-Q167 PolarHBondContact O-N 3.12Å; G164-Q167 VanDerWaalsContact O-N 3.13Å; G164-Q167 PolarHBondContact O-OE1 2.94Å; Q167-S170 PolarHBondContact O-N 2.98Å; Q167-M171 WeakPolarHBondContact O-CB 3.19Å; Q167-M171 WeakPolarHBondContact O-CG 3.47Å; Q167-M171 PolarHBondContact O-N 3.31Å
168L90.6Very high90.8Very high106 Ų10684.6 Ų84.656%0.55550%0.503SS*.Hα-helixtrans-62.7-40.9173.6-68173.9000112.1G164 L165 M171 A172G164-L168 PolarHBondContact O-N 3.44Å; G164-L168 VanDerWaalsContact O-N 3.08Å; L165-L168 PolarHBondContact O-N 3.03Å; L168-M171 PolarHBondContact O-N 3.43Å; L168-A172 WeakPolarHBondContact O-CB 3.34Å; L168-A172 PolarHBondContact O-N 3.08Å
169A90.4Very high89.9Confident30 Ų3088.8 Ų88.825%0.24852%0.517CS..Hα-helixtrans-61.7-46.8174.500000111.7L165 G166 M171 A172 G173 I174L165-A169 WeakPolarHBondContact O-CB 3.45Å; L165-A169 PolarHBondContact O-N 3Å; G166-A169 PolarHBondContact O-N 2.66Å; A169-M171 PolarHBondContact O-N 3.31Å; A169-A172 CarbonylContact O-C 3.59Å; A169-A172 WeakPolarHBondContact O-CA 3.41Å; A169-A172 WeakPolarHBondContact O-CB 3.16Å; A169-A172 PolarHBondContact O-N 3.06Å; A169-G173 PolarHBondContact O-N 3.38Å; A169-I174 CarbonylContact C-O 3.58Å; A169-I174 HydrophobicContact CB-CB 4.26Å; A169-I174 WeakPolarHBondContact O-CB 3.34Å; A169-I174 PolarHBondContact O-N 2.84Å
170S90.3Very high88.9Confident63 Ų6390.8 Ų90.844%0.44152%0.524SS..Hα-helixtrans-65.4-36.8177.4-171.30000112.5G166 Q167 A172 G173 I174 N175G166-S170 WeakPolarHBondContact O-CB 3.45Å; G166-S170 PolarHBondContact O-N 3.46Å; Q167-S170 PolarHBondContact O-N 2.98Å; S170-A172 VanDerWaalsContact C-N 3.28Å; S170-A172 PolarHBondContact O-N 3Å; S170-G173 WeakPolarHBondContact O-CA 3.27Å; S170-G173 PolarHBondContact O-N 2.94Å; S170-I174 WeakPolarHBondContact CA-O 3.08Å; S170-I174 PolarHBondContact N-O 3.05Å; S170-N175 PolarHBondContact OG-OD1 3.48Å
171M90.8Very high87.7Confident163 Ų16394.3 Ų94.380%0.80355%0.55SS**Hα-helixtrans-64.6-29.7170.6-74.4179.765.600113.2Q167 L168 A169 G173Q167-M171 WeakPolarHBondContact O-CB 3.19Å; Q167-M171 WeakPolarHBondContact O-CG 3.47Å; Q167-M171 PolarHBondContact O-N 3.31Å; L168-M171 PolarHBondContact O-N 3.43Å; A169-M171 PolarHBondContact O-N 3.31Å; M171-G173 PolarHBondContact O-N 3.47Å
172A91.3Very high86.3Confident75 Ų7596.5 Ų96.562%0.6257%0.567SS**THydrogen-bonded Turntrans-80.84170.300000113.4L168 A169 S170L168-A172 WeakPolarHBondContact O-CB 3.34Å; L168-A172 PolarHBondContact O-N 3.08Å; A169-A172 CarbonylContact O-C 3.59Å; A169-A172 WeakPolarHBondContact O-CA 3.41Å; A169-A172 WeakPolarHBondContact O-CB 3.16Å; A169-A172 PolarHBondContact O-N 3.06Å; S170-A172 VanDerWaalsContact C-N 3.28Å; S170-A172 PolarHBondContact O-N 3Å
173G89.5Confident85Confident46 Ų4693.1 Ų93.147%0.47457%0.565SS.*THydrogen-bonded Turntrans84.93.6179.400000115.3A169 S170 M171 N175A169-G173 PolarHBondContact O-N 3.38Å; S170-G173 WeakPolarHBondContact O-CA 3.27Å; S170-G173 PolarHBondContact O-N 2.94Å; M171-G173 PolarHBondContact O-N 3.47Å; G173-N175 PolarHBondContact O-ND2 3.27Å
174I88.6Confident83.5Confident82 Ų8299.1 Ų99.142%0.42158%0.578SS.*  trans-89.8116.9-179.3-53.8173.3000109.3A169 S170 F179A169-I174 CarbonylContact C-O 3.58Å; A169-I174 HydrophobicContact CB-CB 4.26Å; A169-I174 WeakPolarHBondContact O-CB 3.34Å; A169-I174 PolarHBondContact O-N 2.84Å; S170-I174 WeakPolarHBondContact CA-O 3.08Å; S170-I174 PolarHBondContact N-O 3.05Å; I174-F179 HydrophobicContact CG2-CE2 3.62Å; I174-F179 HydrophobicContact CG2-CZ 4.08Å
175N86.2Confident81.8Confident68 Ų68103.6 Ų103.636%0.36460%0.604SS.*  trans-118.1162.7-174.3-64.6-77000112.2S170 G173 S177 D178S170-N175 PolarHBondContact OG-OD1 3.48Å; G173-N175 PolarHBondContact O-ND2 3.27Å; N175-S177 WeakPolarHBondContact CB-OG 3.37Å; N175-S177 PolarHBondContact O-N 3.27Å; N175-D178 PolarHBondContact N-OD2 2.84Å; N175-D178 WeakPolarHBondContact O-CB 3.47Å; N175-D178 PolarHBondContact O-N 2.96Å
176T81.6Confident80.2Confident136 Ų136107.8 Ų107.883%0.83462%0.621SS**THydrogen-bonded Turntrans-65.8-18.2177.951.40000113.5D178T176-D178 PolarHBondContact O-N 2.98Å
177S82.3Confident78.5Confident74 Ų74113.2 Ų113.252%0.51764%0.638SS.*THydrogen-bonded Turntrans-63.3-28169.643.20000113.9N175 Q180N175-S177 WeakPolarHBondContact CB-OG 3.37Å; N175-S177 PolarHBondContact O-N 3.27Å; S177-Q180 WeakPolarHBondContact O-CG 3.1Å
178D82.7Confident76.4Confident93 Ų93112.1 Ų112.150%0.49764%0.644SS.*THydrogen-bonded Turntrans-85.7-28.4-166.7-45.9-14.3000109.6N175 T176 Q180N175-D178 PolarHBondContact N-OD2 2.84Å; N175-D178 WeakPolarHBondContact O-CB 3.47Å; N175-D178 PolarHBondContact O-N 2.96Å; T176-D178 PolarHBondContact O-N 2.98Å; D178-Q180 VanDerWaalsContact C-N 3.3Å; D178-Q180 PolarHBondContact O-N 3.13Å
179F78.9Confident74.6Confident158 Ų158112.2 Ų112.269%0.69365%0.653SS**SBendtrans-86.266.4164.4-57.8-74.8000110.7I174I174-F179 HydrophobicContact CG2-CE2 3.62Å; I174-F179 HydrophobicContact CG2-CZ 4.08Å
180Q76.5Confident72.7Confident153 Ų153117.2 Ų117.272%0.71568%0.681SS**  trans-55.9147168.2-65.4-165.20.800110.3S177 D178 L182S177-Q180 WeakPolarHBondContact O-CG 3.1Å; D178-Q180 VanDerWaalsContact C-N 3.3Å; D178-Q180 PolarHBondContact O-N 3.13Å; Q180-L182 PolarHBondContact O-N 3.45Å
181P72Confident70.7Confident131 Ų131121 Ų12185%0.85170%0.702SS**  trans-55.3110179.2-25.434.5000110.8G183P181-G183 PolarHBondContact O-N 3.49Å
182L64.8Low68.3Low171 Ų171116.5 Ų116.590%0.89570%0.697SS**  trans-55.9129.1178.8-69.6172.4000108.7Q180Q180-L182 PolarHBondContact O-N 3.45Å
183G67.3Low66.1Low67 Ų67119.3 Ų119.369%0.69171%0.708SS**  trans-55.1150.2-175.700000111.9P181P181-G183 PolarHBondContact O-N 3.49Å
184K65Low63.5Low195 Ų195125.9 Ų125.985%0.84873%0.727SS**SBendtrans-32.3120.2-174.5-65.2-178.3-179.3-1790111.7Q186K184-Q186 PolarHBondContact O-N 2.92Å
185P57.8Low61.2Low112 Ų112129.3 Ų129.373%0.72774%0.741SS**  trans-57.5116.6-172.721.9-33000110.1L187P185-L187 PolarHBondContact O-N 3.44Å
186Q57.6Low59.1Low174 Ų174133.5 Ų133.581%0.81376%0.758SS**  trans-74.797.8-179.4-73.4-166.6-24.600109.5K184 S188K184-Q186 PolarHBondContact O-N 2.92Å; Q186-S188 PolarHBondContact O-N 3.02Å
187L53.3Low56.8Low160 Ų160131.6 Ų131.684%0.83876%0.756SS**  trans-76.167.4170-56-169.8000109.9P185 S189P185-L187 PolarHBondContact O-N 3.44Å; L187-S189 PolarHBondContact O-N 3.11Å
188S48.1Very low54.9Low98 Ų98132.9 Ų132.969%0.68577%0.772SS**  trans-73.160.7177-61.60000111.5Q186Q186-S188 PolarHBondContact O-N 3.02Å
189S50.9Low52.7Low107 Ų107133.1 Ų133.175%0.74879%0.787SS**  trans-72.1144.9166.3-167.10000109.8L187 V191L187-S189 PolarHBondContact O-N 3.11Å; S189-V191 PolarHBondContact O-N 3.25Å
190T51.5Low50.8Low136 Ų136131.2 Ų131.283%0.83479%0.793SS**  trans-75.8105.9-158.751.30000114.1
191V48.6Very low48.8Very low143 Ų143130.1 Ų130.187%0.86780%0.797SS**  trans-137.687.3164-1720000111.5S189S189-V191 PolarHBondContact O-N 3.25Å
192G40.6Very low47Very low68 Ų68130.1 Ų130.170%0.70180%0.795SS**  trans74.5153.4159.800000118
193P45.3Very low45.3Very low133 Ų133127 Ų12786%0.86479%0.794SS**  trans-84.7117.217032.5-30.3000110.6
194Q34.4Very low43.6Very low184 Ų184127.3 Ų127.386%0.8680%0.797SS**  trans-92.3109.3162.7-173.4175.6-8.400109.3
195Q40.7Very low42.1Very low155 Ų155127 Ų12772%0.72480%0.799SS**  trans-71.7138.9165-83.1-179.4-89.400110.4
196E41.2Very low40.9Very low155 Ų155131.6 Ų131.672%0.72481%0.807SS**  trans61140.7149.7-64.7160.3-130.200117.4
197A33.3Very low39.8Very low96 Ų96133.9 Ų133.979%0.79381%0.808SS**  cis-138.7156.129.200000113.6
198A43.1Very low38.5Very low101 Ų101132.4 Ų132.484%0.83580%0.802SS**  trans-81.1133.9170.400000111.2
199A35.2Very low37.8Very low99 Ų99133.1 Ų133.182%0.81880%0.802SS**  trans-143.575.3174.800000110.9T201A199-T201 PolarHBondContact O-N 3.43Å
200S38.9Very low36.9Very low118 Ų118136.4 Ų136.483%0.82581%0.805SS**  trans-85.8106.2177.2-61.30000112.2
201T34.8Very low35.9Very low129 Ų129135 Ų13579%0.79181%0.807SS**  trans-156100.2155.89.20000109.1A199A199-T201 PolarHBondContact O-N 3.43Å
202T34.4Very low35.1Very low131 Ų131134.6 Ų134.680%0.80480%0.796SS**  76.1106.288-59.10000113.3
203A29.3Very low34.7Very low106 Ų106137.3 Ų137.388%0.87680%0.804SS**  trans-135.151.5168.900000110.8Q205A203-Q205 PolarHBondContact O-N 2.9Å
204G32Very low34.2Very low73 Ų73139.9 Ų139.975%0.75380%0.804SS**  trans-75118.2172.300000110.5
205Q33.2Very low34.1Very low190 Ų190137.2 Ų137.289%0.88881%0.806SS**  trans-103113.5-174.8-176.3179.176.400111.1A203A203-Q205 PolarHBondContact O-N 2.9Å
206F32.3Very low33.7Very low208 Ų208134.2 Ų134.291%0.91281%0.808SS**  trans-134.1151.2168.1-91.8-90.4000110.5
207R34.6Very low33.3Very low221 Ų221132.2 Ų132.283%0.83481%0.811SS**  trans-77.2174.1171.6-56.5-175.8173.9174.1-2.5109.5
208D27.2Very low33.2Very low130 Ų130135.4 Ų135.470%0.69581%0.813SS**  cis-170.4175.439.3-131.6-37.3000114.9
209V32.6Very low32.6Very low113 Ų113135 Ų13569%0.68581%0.81SS**  trans55.198.9156.2-177.30000120
210Q32.6Very low32.4Very low176 Ų176134.3 Ų134.382%0.82281%0.813SS**  30.1119.8121.2-176.2-174.85.500120.7
211A30.6Very low32Very low106 Ų106140.2 Ų140.288%0.87682%0.817SS**  trans-147.4138.7145.800000111.7
212Q30Very low31.9Very low135 Ų135140.8 Ų140.863%0.63182%0.82SS**  trans-111.4139.1-177.8174.6-172.814.100110.1H214Q212-H214 PolarHBondContact NE2-NE2 2.64Å
213S33.4Very low32.2Very low125 Ų125140.5 Ų140.587%0.87482%0.818SS**  trans-160.2155.8160.4-86.80000112
214H34.1Very low33Very low186 Ų186141 Ų14186%0.86181%0.812SS**  trans-124.1146.7-169.1-53.1-115.7000111.4Q212Q212-H214 PolarHBondContact NE2-NE2 2.64Å
215S32.9Very low33.1Very low128 Ų128147.3 Ų147.390%0.89582%0.82SS**  trans-165.4154.1141.6570000109.8
216A32.6Very low33.7Very low93 Ų93142.9 Ų142.977%0.76981%0.808SS**  trans-144.5175.3-169.700000112.3
217S31.3Very low34.1Very low112 Ų112139.4 Ų139.478%0.78381%0.806SS**  trans69.1157.4169.5-89.50000116
218L31.6Very low33.8Very low163 Ų163132 Ų13285%0.85380%0.798SS**  cis-141.4164.2-7-85.4122.1000106.6
219A30.7Very low34.1Very low93 Ų93131.4 Ų131.477%0.76981%0.812SS**  cis-172.6165-2100000109.1
220G31.5Very low34.1Very low85 Ų85130.4 Ų130.488%0.87682%0.815SS**  trans170103.7176.500000113.7
221R30.4Very low34.2Very low241 Ų241125.9 Ų125.991%0.90981%0.807SS**  trans-119.9106.1-168.9179-160.8-177.9-162.83.3112.4
222V32.2Very low34.2Very low141 Ų141131 Ų13186%0.85581%0.81SS**  trans-143.8134.4151.6-1750000109.4
223T40.9Very low34.4Very low125 Ų125133.2 Ų133.277%0.76782%0.818SS**  trans-141.5147.8168.653.50000106.9
224P46.5Very low34.6Very low116 Ų116133.1 Ų133.175%0.75381%0.814SS**  -150.7142.484.337.4-18000117.9
225F34.8Very low34.6Very low207 Ų207130.5 Ų130.591%0.90881%0.812SS**  trans69.6152.9147.5-105.9-120.2000121.9
226P45.4Very low34.3Very low97 Ų97130.3 Ų130.363%0.6381%0.809SS**  trans-112.9163-164.241.7-31.1000114.7
227P40.2Very low34.3Very low134 Ų134134.6 Ų134.687%0.8781%0.813SS**  -117167.3115.135.7-32.7000109.7
228G28.9Very low34.6Very low66 Ų66134.8 Ų134.868%0.6881%0.812SS**  cis149.4135.49.800000106.5A230G228-A230 PolarHBondContact O-N 2.83Å; G228-A230 VanDerWaalsContact O-N 3.15Å
229A32.5Very low34.9Very low118 Ų118133.3 Ų133.398%0.97581%0.812SS**PPolyproline II helixtrans-66.1116.4-165.300000113
230A34.2Very low35.1Very low92 Ų92133.2 Ų133.276%0.7681%0.805SS**PPolyproline II helixtrans-98.1119172.300000110.1G228G228-A230 PolarHBondContact O-N 2.83Å; G228-A230 VanDerWaalsContact O-N 3.15Å
231A34.1Very low35.3Very low80 Ų80136.6 Ų136.666%0.66180%0.803SS**PPolyproline II helixtrans-75.8139.5172.200000110.6F233A231-F233 HydrophobicContact CB-CE2 4.49Å; A231-F233 PolarHBondContact O-N 3.21Å; A231-F233 VanDerWaalsContact O-N 3.16Å
232F31.2Very low35.4Very low214 Ų214133.3 Ų133.394%0.93980%0.797SS**  trans-72.1106.2176.2-71.4-88.5000110.9
233F33.5Very low35.6Very low182 Ų182135.3 Ų135.380%0.79879%0.794SS**  trans-93.3124162.1-72.5-85.5000109.3A231 T235A231-F233 HydrophobicContact CB-CE2 4.49Å; A231-F233 PolarHBondContact O-N 3.21Å; A231-F233 VanDerWaalsContact O-N 3.16Å; F233-T235 PolarHBondContact O-N 2.98Å
234P37.8Very low35.3Very low122 Ų122137.2 Ų137.279%0.79280%0.8SS**  trans-77109.5174.129.7-32.1000110.5C236P234-C236 PolarHBondContact O-N 3.14Å
235T32.7Very low34.5Very low132 Ų132142.3 Ų142.381%0.8180%0.804SS**PPolyproline II helixtrans-76.5119.6173.4-56.30000110.5F233F233-T235 PolarHBondContact O-N 2.98Å
236C27.5Very low34.4Very low123 Ų123140.3 Ų140.383%0.83180%0.802SS**PPolyproline II helixtrans-70130.5172.1-61.50000111.2P234P234-C236 PolarHBondContact O-N 3.14Å
237Q31.8Very low34.1Very low184 Ų184141.9 Ų141.986%0.8681%0.81SS**PPolyproline II helixtrans-89.5146.7167.4-73.3-176.1-31.200111.1
238P39.1Very low33.6Very low116 Ų116142 Ų14275%0.75380%0.803SS**PPolyproline II helixtrans-74.5155.6169.732.4-34.6000111.7
239P37Very low33.9Very low131 Ų131144.1 Ų144.185%0.85180%0.803SS**PPolyproline II helixtrans-72146.9-174.229.2-35.7000113.7
240S35.8Very low33.8Very low91 Ų91143.1 Ų143.164%0.63678%0.784SS**PPolyproline II helixtrans-79.3142.5179.949.40000113.6H242S240-H242 PolarHBondContact O-N 2.63Å
241L34.3Very low33.7Very low157 Ų157147.6 Ų147.682%0.82279%0.787SS**  trans-79.3106.9-178.4-166.1169.7000110.4K243L241-K243 HydrophobicContact CD2-CB 4.04Å
242H33.5Very low33.8Very low171 Ų171150.5 Ų150.579%0.79279%0.792SS**  trans-94.1131.8169.4-73.2-82.6000111S240S240-H242 PolarHBondContact O-N 2.63Å
243K36.9Very low33.9Very low183 Ų183149.4 Ų149.480%0.79679%0.789SS**  trans-136.8116.1-179.4175.8-174.9-177.9-178.40107.4L241L241-K243 HydrophobicContact CD2-CB 4.04Å
244D33.5Very low34Very low165 Ų165147.7 Ų147.788%0.88279%0.794SS**  trans-165.2159.8150.7-117.2-26.4000114.6
245R30.7Very low33.6Very low224 Ų224145 Ų14585%0.84579%0.788SS**  trans63.685.7164-155.5168.7-168.8165.72.5118.3
246L31.9Very low33.6Very low164 Ų164147.1 Ų147.186%0.85979%0.794SS**  trans-55.1153150-109.670.8000111.2
247V38.4Very low33.7Very low130 Ų130148.9 Ų148.979%0.78879%0.794SS**  trans-125130.2152.2-100.40000107.8
248D29.5Very low33.6Very low138 Ų138144.4 Ų144.474%0.73879%0.789SS**  trans-86.2141.4-177.9-166.6-7.2000110.2
249V36.1Very low33.2Very low110 Ų110144 Ų14467%0.66780%0.795SS**  trans-137.980.6178.7-175.20000108.6F251V249-F251 HydrophobicContact CG1-CD2 3.92Å; V249-F251 HydrophobicContact CG1-CE2 3.69Å
250T29.6Very low32.9Very low96 Ų96142.3 Ų142.359%0.58979%0.793SS**  trans-74.5127171.5-37.30000110.2
251F33.6Very low33.5Very low186 Ų186144 Ų14482%0.81680%0.801SS**  trans-115.9126.3161.1-86.8-81.8000109.4V249V249-F251 HydrophobicContact CG1-CD2 3.92Å; V249-F251 HydrophobicContact CG1-CE2 3.69Å
252N35.1Very low33.2Very low142 Ų142141 Ų14176%0.75980%0.799SS**  trans-89.3143.3-176.5-67.7-65.7000111.4
253H33.7Very low33.5Very low191 Ų191141.1 Ų141.188%0.88481%0.805SS**  trans-87.6128.3165.1-71.5-81.6000110.7
254T36.3Very low33.7Very low146 Ų146138.7 Ų138.790%0.89681%0.808SS**  trans-141.7156155.938.40000108
255G28.8Very low33.5Very low66 Ų66134 Ų13468%0.6880%0.799SS**  trans-158.5-177-176.700000112.5
256L33.1Very low33.6Very low176 Ų176132.2 Ų132.292%0.92180%0.8SS**  trans68.3142.9-165.4-54.5168.1000111.4
257D28Very low33.7Very low159 Ų159132.8 Ų132.885%0.8580%0.798SS**  cis-133.3-177.233.5-151.9-10.8000114.3
258A30.6Very low33.6Very low91 Ų91134.2 Ų134.275%0.75280%0.796SS**  trans-101.4151.7-163.700000116.1
259A30.1Very low34.4Very low106 Ų106132.8 Ų132.888%0.87680%0.795SS**  trans-154118.9154.800000112
260A31.3Very low34.4Very low97 Ų97134.5 Ų134.580%0.80280%0.795SS**  trans-135.9169.7162.900000106.5
261P48.1Very low34.5Very low125 Ų125138.2 Ų138.281%0.81281%0.806SS**  cis-133.81778.242.8-27.5000115
262A28Very low34.4Very low94 Ų94139.8 Ų139.878%0.77781%0.808SS**  trans-174120.8135.900000112.6
263L40.6Very low34.4Very low175 Ų175142 Ų14292%0.91681%0.811SS**  trans-130.5141150.8-78.2174.3000106.3
264P40Very low34.6Very low131 Ų131143.6 Ų143.685%0.85181%0.809SS**  -150.6166.7118.338.5-23000115
265G29.2Very low34.9Very low68 Ų68142.3 Ų142.370%0.70180%0.803SS**  trans98.8111.9172.100000112.6
266E34Very low35.1Very low186 Ų186143.3 Ų143.387%0.86981%0.805SS**  cis85.8144.738-59.4-70.6153.300115
267E33.7Very low35.2Very low176 Ų176141.1 Ų141.182%0.82280%0.799SS**  trans65.599171-61.2-168.4112.200120.6
268E37Very low35.4Very low159 Ų159142.5 Ų142.574%0.74380%0.801SS**  trans-85.6134.6137.1163173.9-16700108.5H270E268-H270 IonicContact OE1-CE1 3.75Å; E268-H270 PolarHBondContact OE1-CE1 2.76Å; E268-H270 VanDerWaalsContact OE1-CE1 3.24Å; E268-H270 IonicContact OE1-ND1 2.73Å; E268-H270 PolarHBondContact OE1-ND1 2.87Å
269P44.8Very low36.3Very low108 Ų108143.4 Ų143.470%0.70180%0.799SS**  -140.1155.1125.735.2-21.9000115
270H36.2Very low36.5Very low147 Ų147145.6 Ų145.668%0.68180%0.796SS**  trans-67.3156.9-174.3-24.7-64.2000115E268E268-H270 IonicContact OE1-CE1 3.75Å; E268-H270 PolarHBondContact OE1-CE1 2.76Å; E268-H270 VanDerWaalsContact OE1-CE1 3.24Å; E268-H270 IonicContact OE1-ND1 2.73Å; E268-H270 PolarHBondContact OE1-ND1 2.87Å
271Q32.2Very low36.7Very low173 Ų173146.3 Ų146.381%0.80880%0.795SS**  trans-152.5133144.5-128.7157.390.500114.5
272Y30.9Very low35.9Very low219 Ų219143.4 Ų143.486%0.85979%0.787SS**  trans-79.4137.7173.8-91.8-115.4000111.1
273F35.5Very low36.1Very low189 Ų189144.2 Ų144.283%0.82979%0.788SS**  trans-142.4105.2156.8-88.5-73.7000113.9
274R38.7Very low35.8Very low225 Ų225144.6 Ų144.685%0.84979%0.785SS**  trans-151.3127.3153.9-152-155.8175.1-172.8-0.9106
275P42.6Very low35.4Very low119 Ų119146.8 Ų146.877%0.77378%0.783SS**  -135.7175.390.442.4-29.2000110.6
276A31.7Very low35.9Very low87 Ų87147 Ų14772%0.71977%0.774SS**  -147.1167.173.400000113.6
277T36.1Very low36.1Very low130 Ų130147.3 Ų147.380%0.79878%0.776SS**  trans-121.9148.7-176.743.20000111.4
278Q32.9Very low36.2Very low188 Ų188147 Ų14788%0.87977%0.772SS**  -160.3150.5124-110.4-162.8-62.300111.5
279P48.2Very low35.9Very low110 Ų110144.1 Ų144.171%0.71477%0.769SS**  trans-108.6173.7173.841.1-33000112.5
280D34Very low35.4Very low152 Ų152148.1 Ų148.181%0.81378%0.776SS**  trans-152.8164.5141.4-144.6-21.7000112.6
281S37.6Very low35.2Very low111 Ų111147.6 Ų147.678%0.77678%0.778SS**  trans-29.9162.9172.2-55.20000118.8
282G30.1Very low35.2Very low64 Ų64147.6 Ų147.666%0.6678%0.777SS**  cis148.5176.22.700000111.5
283S32.4Very low35.4Very low112 Ų112146.6 Ų146.678%0.78378%0.778SS**  trans67.9124.3-175.4-163.20000113.9
284E33.3Very low36Very low183 Ų183143.4 Ų143.486%0.85578%0.776SS**  cis97.4134.530.4-70.1-160135.900116.3
285H33.1Very low36Very low176 Ų176142.3 Ų142.382%0.81578%0.778SS**  trans90.5149.9147.8-16068.3000122.5
286S38.7Very low35.4Very low74 Ų74139.6 Ų139.652%0.51777%0.771SS.*  trans87.397.9161.7-112.10000120
287Q38.5Very low35.8Very low191 Ų191144.2 Ų144.289%0.89378%0.775SS**  trans-63.9152.2147.9-59.4156.2-8200110
288K35.4Very low35.7Very low171 Ų171143.7 Ų143.774%0.74377%0.772SS**  trans-151.7118.6159.1-111.3156.5-171165.80111.4
289S31Very low36Very low97 Ų97145.4 Ų145.468%0.67878%0.777SS**  trans-72.9158.7159.947.70000110
290F34.5Very low35.2Very low193 Ų193148.7 Ų148.785%0.84678%0.783SS**  trans-128.9122.1163.9-87.2-82000109
291D31.2Very low35.2Very low135 Ų135147.1 Ų147.172%0.72278%0.784SS**  trans-86.9170-177.1-87.1-66.4000113.5
292H32.2Very low35.2Very low173 Ų173150.3 Ų150.380%0.80179%0.786SS**  trans-42.1140.8178.3-81.2-96.4000116.8
293F36.5Very low35.7Very low199 Ų199153.2 Ų153.287%0.87379%0.794SS**PPolyproline II helixtrans-103.3120149.3-73.3-83.7000110.3
294P47.6Very low35.7Very low121 Ų121153.5 Ų153.579%0.78680%0.796SS**PPolyproline II helixtrans-96123.4168.833.4-28.5000111.3
295F39.1Very low35.7Very low202 Ų202154.2 Ų154.289%0.88679%0.79SS**PPolyproline II helixtrans-100.2116.4171.5-125.9-84.9000110.4
296G29.6Very low35.7Very low62 Ų62155.4 Ų155.464%0.63980%0.796SS**PPolyproline II helixtrans-99.2141.2-178.300000113.9
297K39.8Very low35.4Very low184 Ų184158.3 Ų158.380%0.880%0.802SS**  trans-173.891.9154.9-100.2149.4-173.8179.60108.5
298T34.6Very low35Very low120 Ų120157.7 Ų157.774%0.73680%0.801SS**  58.195.995.162.70000114.8
299F38.7Very low34.8Very low223 Ų223158.1 Ų158.198%0.97881%0.806SS**  trans-137.6158.3132.3-95.7-71.4000109.4
300Q32.1Very low34.8Very low180 Ų180158.1 Ų158.184%0.84181%0.811SS**  trans-132.6126.6-162.1177.2-170.96300109.9
301S34Very low34.7Very low119 Ų119154 Ų15483%0.83281%0.807SS**  trans-142.8121.6168.449.60000109.1
302Q37.2Very low34.8Very low177 Ų177152 Ų15283%0.82780%0.803SS**PPolyproline II helixtrans-85.2152178.2-80.8-169.3-28.600111.7
303P40.8Very low35Very low125 Ų125149.6 Ų149.681%0.81280%0.796SS**PPolyproline II helixtrans-76.1137.5174.431.9-34.2000111.2
304S31.6Very low34.9Very low118 Ų118150.7 Ų150.783%0.82579%0.794SS**PPolyproline II helixtrans-84.6121.3168.2-169.10000110.1
305R33.1Very low34.3Very low198 Ų198150.7 Ų150.775%0.74780%0.797SS**PPolyproline II helixtrans-83139.4162.2-87.4178.5156.6-129.2-7.2108.9E307R305-E307 IonicContact CZ-OE2 2.71Å; R305-E307 IonicContact NH1-OE2 2.68Å; R305-E307 PolarHBondContact NH1-OE2 2.85Å
306Q34.6Very low34Very low201 Ų201146 Ų14694%0.93979%0.789SS**  trans-137.1134.9149.6-118.8176.5-7.600109.2
307E30.7Very low34.1Very low136 Ų136148.6 Ų148.664%0.63680%0.798SS**  trans-151.8117.2-163178.5170.7-140.200108.3R305R305-E307 IonicContact CZ-OE2 2.71Å; R305-E307 IonicContact NH1-OE2 2.68Å; R305-E307 PolarHBondContact NH1-OE2 2.85Å
308M30.7Very low33.9Very low177 Ų177149.8 Ų149.887%0.87280%0.799SS**  trans-172.1118.8167-98.3158.9-161.700104.4
309E31Very low33.8Very low181 Ų181153.4 Ų153.485%0.84681%0.807SS**  59.2124.865.5-61-162.9162.500112.3
310A31.8Very low33.5Very low96 Ų96146 Ų14679%0.79379%0.794SS**  cis-150.5-170.6-2.600000108.2
311S33Very low33.6Very low107 Ų107145.6 Ų145.675%0.74880%0.798SS**  cis-168.5154.422.464.70000114.3
312S33.1Very low33.4Very low92 Ų92145.7 Ų145.764%0.64380%0.798SS**  trans53.3110.2136.1-158.30000122.5
313N36.7Very low33.3Very low124 Ų124144.4 Ų144.466%0.66380%0.796SS**  177.9140.697.1-97.2-72000114.6
314R34.1Very low32.9Very low221 Ų221142.9 Ų142.983%0.83479%0.788SS**  trans28.9136139.1-52173.4-176.5-137.5-4.8119.3
315S34.3Very low32.9Very low121 Ų121143.4 Ų143.485%0.84678%0.781SS**  cis-157.5170.945.8-57.90000114
316S33Very low33Very low103 Ų103141 Ų14172%0.7278%0.784SS**  trans-96154.1-177.155.40000115.2
317S30.5Very low33.1Very low118 Ų118136 Ų13683%0.82577%0.771SS**  trans-141.5152.314360.30000110.7
318Y35.5Very low33.2Very low208 Ų208135.8 Ų135.882%0.81677%0.771SS**  trans-121.4174.5-179.9-84.8-87.2000110.1
319H34.2Very low33.5Very low197 Ų197136.6 Ų136.691%0.91277%0.766SS**  trans78.1148.2179.1-54.9-11000114.9
320G30.8Very low33.6Very low68 Ų68133 Ų13370%0.70176%0.761SS**  cis170.2155.4-600000112.6
321N35.9Very low33.5Very low171 Ų171132.2 Ų132.291%0.91476%0.762SS**  trans-61.9148.3-177.9-50.6-3000112.6
322S28.1Very low33.5Very low121 Ų121136.1 Ų136.185%0.84677%0.768SS**  -168.2177.3116.5-153.70000112.4
323I35.5Very low33.4Very low150 Ų150137.6 Ų137.677%0.76978%0.778SS**  trans-127152.2-170.8-60.2168.6000109.7
324S31.8Very low33.4Very low92 Ų92140.1 Ų140.164%0.64379%0.786SS**  trans83.8127.1153.3-96.90000123.5
325N33.5Very low33.5Very low130 Ų130136.2 Ų136.270%0.69578%0.781SS**  94.6138.1126.5-67.57.6000122.9
326N35.2Very low33.3Very low148 Ų148136.7 Ų136.779%0.79177%0.774SS**  trans78.1146.3144.5-75.512.7000119.9
327S36.6Very low33.1Very low96 Ų96138.1 Ų138.167%0.67178%0.784SS**  cis-168.3176.9-13.2-172.10000112
328M32.9Very low33.4Very low130 Ų130137.5 Ų137.564%0.6478%0.775SS**  trans76.9150.6161.6-36.9-163.385.300117.2
329Y36.1Very low33.3Very low195 Ų195136.6 Ų136.677%0.76578%0.778SS**  cis-130.6135.810.5-89.5-86.6000115
330S32.9Very low33.2Very low105 Ų105130.8 Ų130.873%0.73477%0.771SS**  trans30.8135.9133.3-49.60000124
331G30.1Very low33.2Very low79 Ų79130.6 Ų130.681%0.81477%0.769SS**  trans-165.8119.5154.200000109.8
332E32.8Very low33.1Very low189 Ų189132.3 Ų132.388%0.88377%0.769SS**  trans-92.8145.5-166.9-66.5159.798.100114.2
333S31.5Very low34.3Very low123 Ų123132.2 Ų132.286%0.8677%0.765SS**  trans-167.7126.4135.1-80.20000110.6
334Q36.4Very low34.1Very low178 Ų178134.2 Ų134.283%0.83277%0.771SS**  trans-84.4162.5166-61.8178.3-3.900108.1
335I35.6Very low34.2Very low139 Ų139135 Ų13571%0.71378%0.776SS**  -160.4147.256.443.3171.1000114.1
336N30.6Very low34.4Very low131 Ų131135.2 Ų135.270%0.70178%0.782SS**  trans56.1102.6144.1-56.6-4.3000120.8
337S29.1Very low34.5Very low133 Ų133134 Ų13493%0.9379%0.785SS**  trans-129.7135.5133.1-75.10000108.1
338T35.8Very low34.3Very low105 Ų105138.3 Ų138.364%0.64480%0.795SS**  trans-127.5150.9-167.9-47.20000110.9
339H34.3Very low34.9Very low189 Ų189139 Ų13988%0.87580%0.799SS**  trans70.3137.3-172.6-49.2-88.6000113.9
340G31.1Very low35Very low74 Ų74138.5 Ų138.576%0.76381%0.807SS**  cis167.1142.3-6.900000110.9
341G30.5Very low35Very low64 Ų64138.9 Ų138.966%0.6681%0.809SS**  trans-65.9169.5171.800000112.3
342F33.9Very low35.4Very low208 Ų208142.7 Ų142.791%0.91281%0.811SS**  cis-148.4170.131.5-84.7-86.7000112.7
343P54.3Low35.8Very low119 Ų119143.4 Ų143.477%0.77381%0.811SS**  trans-90.9156.2-176.736.7-34.4000112.9
344E30.4Very low36.1Very low192 Ų192140.4 Ų140.490%0.89780%0.8SS**  trans-142.4153.7158.1-166.7148.3-141.200110.2
345S35Very low36Very low107 Ų107141 Ų14175%0.74880%0.802SS**  trans-135.9106.3-170.5166.30000110.3
346V38.3Very low36Very low136 Ų136139.7 Ų139.782%0.82481%0.806SS**  trans-128.3121.3168-77.20000110.4
347S35.7Very low36.6Very low121 Ų121142.1 Ų142.185%0.84682%0.818SS**  trans-109.7106.8165.7-63.70000107
348E32.8Very low36.7Very low188 Ų188139.2 Ų139.288%0.87981%0.808SS**  trans-106.5137.3176.7-168.8152.3-140.200110.8
349I45.2Very low36.8Very low143 Ų143140.1 Ų140.173%0.73382%0.819SS**  trans-108.9119.8-171.9-62.1168000108.1
350M38Very low36.9Very low186 Ų186137.4 Ų137.492%0.91682%0.816SS**  trans-110.8103.1162.3-67.2-16075.300109.8
351S34.6Very low36.9Very low112 Ų112139.9 Ų139.978%0.78382%0.821SS**  trans-92.5126.1161.1-67.60000108.2
352D36.7Very low37.1Very low159 Ų159141.3 Ų141.385%0.8582%0.821SS**  trans-124.2144.7163.6-174.420.2000109.3
353K42.2Very low36.9Very low204 Ų204135.4 Ų135.489%0.88782%0.819SS**  trans-164.3108.6-174.4-169.8-175.2177.6-172.40113.8
354G37.4Very low35.9Very low61 Ų61136.6 Ų136.663%0.62982%0.819SS**  trans126.4146.3160.900000113.5
355E33.8Very low36Very low189 Ų189139.5 Ų139.588%0.88382%0.821SS**  cis-145.6127.6-6-64.2-167121.500108
356S35.9Very low35.9Very low112 Ų112145 Ų14578%0.78383%0.826SS**  71.296.896.2-162.90000117.4
357L43.8Very low35.8Very low183 Ų183146.3 Ų146.396%0.95883%0.827SS**  trans-144.5156.8138.5-72.2-175.9000106.9
358G31.8Very low35.8Very low71 Ų71148.1 Ų148.173%0.73283%0.825SS**  trans-158.5-155.5-170.100000117.1
359S37.1Very low35.7Very low124 Ų124149.5 Ų149.587%0.86783%0.828SS**  trans71.6130.9165.5-71.10000118.5
360V35.3Very low34.9Very low133 Ų133146.2 Ų146.281%0.80683%0.829SS**  cis-155.2150.6-13.6-153.90000109.3
361S31.7Very low34.9Very low126 Ų126146.5 Ų146.588%0.88183%0.828SS**  trans-155.7140137.6-166.70000112.1
362S34.4Very low35.2Very low94 Ų94147.2 Ų147.266%0.65783%0.831SS**  trans-140.5124.8-178.4176.80000111.5N364S362-N364 PolarHBondContact O-N 3.39Å
363G30.9Very low34.8Very low84 Ų84143.4 Ų143.487%0.86683%0.829SS**  trans-94.960.4-175.800000114.2R365G363-R365 PolarHBondContact O-N 2.83Å
364N32.6Very low34.3Very low143 Ų143139.2 Ų139.277%0.76583%0.825SS**  trans-66.1126.1177.5-102.5-16.1000112.4S362S362-N364 PolarHBondContact O-N 3.39Å
365R32.4Very low34.1Very low253 Ų253145.3 Ų145.396%0.95584%0.837SS**  trans-128.1120.5150.1-98.1-169.2-78.7-140.3-1.3110G363G363-R365 PolarHBondContact O-N 2.83Å
366R33Very low33.9Very low222 Ų222140.2 Ų140.284%0.83884%0.836SS**  trans-99.7142.2-170.8-171.5-173.4177.2-177.60.3110.5
367L37Very low33.6Very low164 Ų164140.6 Ų140.686%0.85984%0.838SS**  trans-59.6139.1168-64.2163.9000110.7
368M34.2Very low33.2Very low160 Ų160141.3 Ų141.379%0.78884%0.836SS**  trans-131.2129.7167.7-71.3-65.2-72.400109.7
369F32.3Very low33.4Very low217 Ų217150 Ų15095%0.95285%0.847SS**  trans-66.7152.2165-90.4-116.5000109.9
370G27.9Very low33Very low74 Ų74147 Ų14776%0.76384%0.835SS**  trans-148.891.7-179.100000114.2
371Q38.1Very low33Very low191 Ų191145.3 Ų145.389%0.89384%0.836SS**  trans-162.9156.7157.8-98.8-169.5-25.700107.8
372P40.7Very low33.2Very low128 Ų128149.1 Ų149.183%0.83183%0.832SS**  cis-113.4-175.2-840.8-29.5000112.3
373G28.4Very low33.1Very low79 Ų79149.3 Ų149.381%0.81483%0.833SS**  trans-120130169.400000112.1
374S31.1Very low33.3Very low116 Ų116153.5 Ų153.581%0.81184%0.835SS**  trans-117162.3162-149.40000106
375E33.6Very low33.4Very low189 Ų189152.7 Ų152.788%0.88383%0.831SS**  cis-143.1167.823.4-60.4174.7153.400111.1
376G28.8Very low33.6Very low82 Ų82149.9 Ų149.985%0.84583%0.828SS**  trans-166.594.3173.100000111.4
377S30.5Very low33.8Very low120 Ų120146 Ų14684%0.83982%0.823SS**  trans-107117.4-167.1175.90000112.9
378E36Very low33.6Very low197 Ų197142.1 Ų142.192%0.92182%0.823SS**  trans-136.3161.6157.9-72.9-151.9140.500111.8
379R35.8Very low33.5Very low255 Ų255139.6 Ų139.696%0.96282%0.82SS**  trans-86.2147-166.4-66.7172.4166-171.7-3.9113.6
380G29.2Very low33.9Very low59 Ų59137.5 Ų137.561%0.60882%0.818SS**  trans-170.292.3162.200000112.9
381A34.4Very low34.1Very low99 Ų99137.7 Ų137.782%0.81882%0.82SS**  trans-121.398.8-175.700000112.3
382Y35Very low33.9Very low206 Ų206131.8 Ų131.881%0.80881%0.811SS**  trans-164149.5169.825.4-102.6000107.2
383S33Very low33.9Very low97 Ų97135 Ų13568%0.67882%0.815SS**  cis177.3105.7-10.1170.30000103N385S383-N385 PolarHBondContact O-N 2.68Å; S383-N385 VanDerWaalsContact O-N 3.11Å
384L35.8Very low34.6Very low172 Ų172137 Ų13790%0.90182%0.816SS**  trans-66.4106.3174.8175.177.3000108.8
385N35.3Very low35.4Very low126 Ų126137 Ų13767%0.67481%0.811SS**  trans-172.7108.4161.9-96.5-38.2000113.7S383S383-N385 PolarHBondContact O-N 2.68Å; S383-N385 VanDerWaalsContact O-N 3.11Å
386Q36.6Very low36Very low195 Ų195134.3 Ų134.391%0.91180%0.803SS**  trans-141114.4149.7-64.3-175.222.600104.5
387I36.4Very low37.1Very low140 Ų140138.1 Ų138.172%0.71880%0.796SS**  cis63.564.646.3-41.5177.2000111.8
388G31.8Very low37.6Very low83 Ų83141.2 Ų141.286%0.85680%0.795SS**  trans-86.5121.9151.600000108.9
389S32.5Very low37.9Very low106 Ų106143 Ų14374%0.74181%0.809SS**  trans-128.6104.3-175.7-170.60000112.2
390L41.5Very low38Very low174 Ų174137.5 Ų137.591%0.91180%0.802SS**  trans-135.4128.9159.2-66.2167.9000103.9
391G32.8Very low38.5Very low77 Ų77141.6 Ų141.679%0.79481%0.812SS**  cis95.390.926.300000108.6
392G33.9Very low38.7Very low68 Ų68143.9 Ų143.970%0.70181%0.812SS**  cis176.9-150.30.600000111.4
393Q39.6Very low39Very low195 Ų195140.3 Ų140.391%0.91181%0.812SS**  trans71.8124.9179.9-54.7-172.34300116.5
394S42.4Very low39.3Very low121 Ų121143 Ų14385%0.84682%0.82SS**  trans-111.4137.6163.3171.80000107.3
395V47.7Very low39.6Very low117 Ų117141.1 Ų141.171%0.70982%0.815SS**  trans-135.8144.1169.1-171.40000109.1
396D47.6Very low39.9Very low131 Ų131142.1 Ų142.170%0.70183%0.825SS**  trans-27.9130.5-169.9-66.9-70.8000122.6
397K50.7Low40.1Very low162 Ų162138.1 Ų138.170%0.70482%0.818SS**  33.2131.7107.2-85.7175.4171.7174.70120
398F41Very low40.4Very low186 Ų186137.9 Ų137.982%0.81683%0.827SS**  trans67.7144.1168-50.8-67.8000113.9
399L43.7Very low41.2Very low235 Ų235142.9 Ų142.9100%1.2382%0.824SS**  cis-138.1019.1-158.7149.3000111.7

Retrieved 399 of 399 residues in 589.9 ms (Link to these results)