A0A3Q0KM18_SCHMA Loading...

BHLH domain-containing protein

AlphaFold DB , UniProt , Accession A0A3Q0KM18, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 301 aa.

Structure Viewer
Loading PAE data...
(Predicted Aligned Error values between residue pairs)
Error loading PAE data: please refresh the page.

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
1M47.1Very low53.6Low247 Ų247162.5 Ų162.5100%1.21786%0.855SS**  0108.80-116.8168178.700107.2
2K50.4Low53.4Low215 Ų215162.2 Ų162.294%0.93585%0.854SS**  trans-94.8132.2-172.5-77.8177.6174.5177.50110.1
3V43.1Very low53.2Low131 Ų131161.9 Ų161.979%0.79485%0.849SS**  trans-78.9133.5176.9176.90000109.3M5V3-M5 HydrophobicContact CG1-CG 4.5Å
4L64.6Low52.7Low158 Ų158164.5 Ų164.583%0.82785%0.854SS**  trans-112.5108.1170-100.4153000108.1
5M58.2Low52.6Low170 Ų170162.2 Ų162.284%0.83784%0.844SS**  trans-94.1121.5166.3-88.6-102.6129.300107.5V3V3-M5 HydrophobicContact CG1-CG 4.5Å
6N58.5Low52.2Low144 Ų144161.5 Ų161.577%0.7784%0.841SS**  trans-92.9110.8172.4-77.3-9.1000109.3
7T50.5Low51.7Low142 Ų142155.2 Ų155.287%0.87183%0.825SS**  trans-78.8128.2159.3210000109
8I62.1Low51.5Low160 Ų160156.3 Ų156.382%0.82183%0.831SS**  trans-97.5108.6167.7-69.5169000106.6
9D53.2Low51.8Low157 Ų157158.1 Ų158.184%0.8483%0.831SS**  trans-73.5133168.9-118.4-31.2000109.4
10V52.8Low51.8Low118 Ų118160 Ų16072%0.71583%0.832SS**  trans-100.5111.1172.91740000106.6
11N48.8Very low51.9Low145 Ų145159.5 Ų159.578%0.77583%0.829SS**  trans-175117.1153.3-87.8-32.5000108.6
12D51.1Low51.9Low159 Ų159155.3 Ų155.385%0.8581%0.806SS**  trans-157.2110.8151.1-96.9-30000111.7
13M51.4Low51.6Low159 Ų159152.2 Ų152.278%0.78380%0.799SS**  trans69.389.9136.6-55.2-135.583.400120.1
14E45.6Very low51.9Low198 Ų198152.3 Ų152.393%0.92579%0.794SS**  trans-75.8112.3135.2-83.7-175.7141.200109.1
15N52Low50.9Low130 Ų130151.9 Ų151.970%0.69579%0.792SS**  trans-165.6142.5145.8-145.4-14.5000113.3
16N46.3Very low50.8Low151 Ų151150.6 Ų150.681%0.80779%0.787SS**  trans81.8121.8147.8-103.1-21000121
17G43.5Very low50Low54 Ų54152.4 Ų152.456%0.55779%0.791SS**  133.383.5127.400000115.6K19G17-K19 PolarHBondContact O-N 3Å
18N48Very low49.9Very low175 Ų175150.3 Ų150.394%0.93678%0.782SS**  trans-45.9107.1160.6-61.7-30.7000111
19K56.3Low49.1Very low190 Ų190149.7 Ų149.783%0.82678%0.781SS**  trans-120.999.5169.9-74.8-177.6-178.4174.50110.2G17 I21G17-K19 PolarHBondContact O-N 3Å; K19-I21 PolarHBondContact O-N 3.46Å
20K52Low49Very low196 Ų196149 Ų14985%0.85278%0.777SS**  trans-34.6108.7162.7-164.3175.4-174.2-179.50111.1H22K20-H22 PolarHBondContact O-N 3Å
21I54.7Low48.7Very low150 Ų150150.7 Ų150.777%0.76978%0.781SS**  trans-76110.6173-62174.1000107.3K19 L23K19-I21 PolarHBondContact O-N 3.46Å; I21-L23 PolarHBondContact O-N 3.33Å
22H45.9Very low49Very low160 Ų160153.1 Ų153.174%0.74179%0.785SS**  trans-67.2108.7170.4-117-72.3000108.9K20 I24K20-H22 PolarHBondContact O-N 3Å; H22-I24 PolarHBondContact O-N 2.98Å
23L45.4Very low49Very low150 Ų150152.8 Ų152.879%0.78579%0.789SS**  trans-67.7120160.1-96.983.1000108I21I21-L23 PolarHBondContact O-N 3.33Å
24I50.1Low49.1Very low133 Ų133150.1 Ų150.168%0.68279%0.785SS**  trans-108.7108.5164.5-69.3173.7000106.2H22 I26H22-I24 PolarHBondContact O-N 2.98Å; I24-I26 HydrophobicContact CG2-CD1 3.91Å; I24-I26 HydrophobicContact CG2-CG1 3.84Å
25N43.2Very low49.4Very low149 Ų149145.4 Ų145.480%0.79777%0.773SS**  trans-70.7117.2164.2-93.6-15.3000108.4
26I55.2Low49.8Very low143 Ų143149.4 Ų149.473%0.73378%0.784SS**  trans-123.696159.7-65.8167.7000106.6I24I24-I26 HydrophobicContact CG2-CD1 3.91Å; I24-I26 HydrophobicContact CG2-CG1 3.84Å
27E41.2Very low50.3Low181 Ų181153.2 Ų153.285%0.84679%0.788SS**  trans-81.1109.4170.3-170165.1-151.100107.5
28S48.9Very low50.8Low98 Ų98153.9 Ų153.969%0.68579%0.794SS**  trans-164.785.9173.2-70.70000111.1
29N45.7Very low51.5Low148 Ų148157.3 Ų157.379%0.79179%0.794SS**  trans15.5108.6138.3-58.7-26.5000118.6
30N51.2Low52.1Low143 Ų143157.9 Ų157.977%0.76580%0.796SS**  162.5121.4123.9-97.3-66.1000112.7
31L46.4Very low52.8Low152 Ų152151.1 Ų151.180%0.79677%0.774SS**  trans22.3103.6141.2-65.8156.5000117.3
32K55.4Low54Low196 Ų196150.9 Ų150.985%0.85278%0.78SS**  trans178.597.1139.8-96.3155-168.8-176.90108.8C34K32-C34 PolarHBondContact O-N 2.99Å
33T51.7Low55.6Low153 Ų153146.6 Ų146.694%0.93976%0.764SS**  trans-66.270.1160.649.60000108.6S35T33-S35 PolarHBondContact O-N 3.26Å
34C53.6Low57.5Low103 Ų103142.7 Ų142.770%0.69675%0.748SS**  trans-81.5103.7178.6-152.30000108K32 K36K32-C34 PolarHBondContact O-N 2.99Å; C34-K36 PolarHBondContact O-N 3Å
35S51.4Low59.1Low98 Ų98141.4 Ų141.469%0.68575%0.748SS**  trans-28.999159.41800000111.6T33 R37T33-S35 PolarHBondContact O-N 3.26Å; S35-R37 PolarHBondContact O-N 3.22Å
36K60.2Low61.2Low214 Ų214141 Ų14193%0.9374%0.742SS**  trans-78.241.5173-76.8-177.9178.4172.70111.2C34 G38C34-K36 PolarHBondContact O-N 3Å; K36-G38 PolarHBondContact O-N 3.3Å
37R56.2Low62.8Low232 Ų232138.3 Ų138.388%0.87573%0.728SS**  trans-89.786.3173-158.7-179.4-165-167.54.6107.6S35S35-R37 PolarHBondContact O-N 3.22Å
38G53.9Low65.1Low67 Ų67134.2 Ų134.269%0.69171%0.705SS**  trans168.28.9177.700000120.9K36 K40K36-G38 PolarHBondContact O-N 3.3Å; G38-K40 PolarHBondContact O-N 3.43Å
39R64.1Low67.1Low248 Ų248133.3 Ų133.394%0.93669%0.69SS**  trans-71.999.5166-83.7-172164.9176.2-4.5108.4S41R39-S41 PolarHBondContact O-N 2.91Å
40K67.1Low69.3Low202 Ų202130.5 Ų130.588%0.87867%0.672SS**  trans-50.9113.7166.7-67.1-178.2178.7-177.90106.3G38 T42G38-K40 PolarHBondContact O-N 3.43Å; K40-T42 PolarHBondContact O-N 3.22Å
41S67.3Low71.3Confident53 Ų53126.8 Ų126.837%0.37166%0.655SS.*  trans-57122.7178.9147.70000108.9R39 V43 R48R39-S41 PolarHBondContact O-N 2.91Å; S41-V43 PolarHBondContact O-N 2.97Å; S41-V43 VanDerWaalsContact OG-CB 3.28Å; S41-V43 WeakPolarHBondContact OG-CB 3.46Å; S41-V43 PolarHBondContact OG-N 3.29Å; S41-V43 PolarHBondContact OG-O 2.9Å; S41-R48 VanDerWaalsContact CB-NH2 3.3Å; S41-R48 PolarHBondContact O-NH2 3.48Å; S41-R48 VanDerWaalsContact O-NH2 3.14Å; S41-R48 PolarHBondContact OG-NH2 3.48Å; S41-R48 VanDerWaalsContact OG-NH2 3.12Å
42T80.5Confident73.6Confident146 Ų146127 Ų12790%0.89665%0.645SS**SBendtrans-62.8-16.2172-41.50000112.2K40 P44K40-T42 PolarHBondContact O-N 3.22Å; T42-P44 WeakPolarHBondContact O-CD 3.42Å
43V78.9Confident75.5Confident69 Ų69124.9 Ų124.942%0.41863%0.632SS.*SBendtrans-65.3124.1176.3-173.10000109.9S41 L47 R48S41-V43 PolarHBondContact O-N 2.97Å; S41-V43 VanDerWaalsContact OG-CB 3.28Å; S41-V43 WeakPolarHBondContact OG-CB 3.46Å; S41-V43 PolarHBondContact OG-N 3.29Å; S41-V43 PolarHBondContact OG-O 2.9Å; V43-L47 HydrophobicContact CG1-CB 3.68Å; V43-L47 HydrophobicContact CG1-CD1 4.44Å; V43-R48 PolarHBondContact O-NH2 3.32Å
44P85.7Confident77.6Confident69 Ų69122.8 Ų122.845%0.44861%0.613SS.*  trans-45.5140.3173.4-30.934.7000112.5T42 E46 L47 R48T42-P44 WeakPolarHBondContact O-CD 3.42Å; P44-E46 PolarHBondContact O-N 3.45Å; P44-L47 HydrophobicContact CB-CD1 4.45Å; P44-L47 HydrophobicContact CB-CG 4.46Å; P44-L47 HydrophobicContact CG-CD1 4.15Å; P44-L47 PolarHBondContact O-N 3.11Å; P44-R48 PolarHBondContact O-N 3.09Å; P44-R48 VanDerWaalsContact O-N 3.08Å
45P83.2Confident79.6Confident105 Ų105124.4 Ų124.468%0.68261%0.609SS**Hα-helixtrans-53.5-37.4-178.3-27.234.8000113.8R48 E49P45-R48 WeakPolarHBondContact O-CB 3.44Å; P45-R48 PolarHBondContact O-N 3.39Å; P45-E49 PolarHBondContact O-N 3.18Å
46E87.7Confident81.7Confident141 Ų141127.6 Ų127.666%0.65961%0.61SS**Hα-helixtrans-64.8-47.3179.4-172170.9-179.400112.5P44 R48 E49 Q50P44-E46 PolarHBondContact O-N 3.45Å; E46-R48 VanDerWaalsContact C-N 3.28Å; E46-R48 PolarHBondContact O-N 2.94Å; E46-E49 PolarHBondContact O-N 2.84Å; E46-E49 VanDerWaalsContact O-N 3.16Å; E46-Q50 WeakPolarHBondContact O-CG 3.46Å; E46-Q50 PolarHBondContact O-N 3.49Å
47L89.3Confident83.5Confident86 Ų86122.6 Ų122.645%0.4559%0.59SS.*Hα-helixtrans-63.5-35.5175.4-70.6179.9000112.1V43 P44 E49 T51V43-L47 HydrophobicContact CG1-CB 3.68Å; V43-L47 HydrophobicContact CG1-CD1 4.44Å; P44-L47 HydrophobicContact CB-CD1 4.45Å; P44-L47 HydrophobicContact CB-CG 4.46Å; P44-L47 HydrophobicContact CG-CD1 4.15Å; P44-L47 PolarHBondContact O-N 3.11Å; L47-E49 VanDerWaalsContact C-N 3.33Å; L47-T51 WeakPolarHBondContact O-CB 3.44Å; L47-T51 PolarHBondContact O-N 3.43Å; L47-T51 PolarHBondContact O-OG1 2.98Å
48R88.3Confident85.5Confident95 Ų95115.9 Ų115.936%0.35857%0.572SS.*Hα-helixtrans-63.8-41.9175.1-169.3-174.8-55.7158.113.6111.1S41 V43 P44 P45 E46 R52S41-R48 VanDerWaalsContact CB-NH2 3.3Å; S41-R48 PolarHBondContact O-NH2 3.48Å; S41-R48 VanDerWaalsContact O-NH2 3.14Å; S41-R48 PolarHBondContact OG-NH2 3.48Å; S41-R48 VanDerWaalsContact OG-NH2 3.12Å; V43-R48 PolarHBondContact O-NH2 3.32Å; P44-R48 PolarHBondContact O-N 3.09Å; P44-R48 VanDerWaalsContact O-N 3.08Å; P45-R48 WeakPolarHBondContact O-CB 3.44Å; P45-R48 PolarHBondContact O-N 3.39Å; E46-R48 VanDerWaalsContact C-N 3.28Å; E46-R48 PolarHBondContact O-N 2.94Å; R48-R52 VanDerWaalsContact O-CG 3.31Å; R48-R52 WeakPolarHBondContact O-CG 3.28Å; R48-R52 PolarHBondContact O-N 3.11Å
49E90.6Very high87.5Confident79 Ų79118.4 Ų118.437%0.36957%0.568SS.*Hα-helixtrans-69.9-43.7178.8-176.852.4-150.200111.7P45 E46 L47 T51 R52 R53P45-E49 PolarHBondContact O-N 3.18Å; E46-E49 PolarHBondContact O-N 2.84Å; E46-E49 VanDerWaalsContact O-N 3.16Å; L47-E49 VanDerWaalsContact C-N 3.33Å; E49-T51 VanDerWaalsContact C-N 3.32Å; E49-T51 PolarHBondContact O-N 3.36Å; E49-R52 WeakPolarHBondContact O-CB 3.37Å; E49-R52 PolarHBondContact O-N 2.94Å; E49-R52 VanDerWaalsContact O-N 3.14Å; E49-R53 WeakPolarHBondContact O-CG 3.2Å; E49-R53 PolarHBondContact O-N 3.13Å; E49-R53 IonicContact OE1-CZ 3.94Å; E49-R53 IonicContact OE1-NE 3.55Å; E49-R53 PolarHBondContact OE1-NE 2.97Å; E49-R53 VanDerWaalsContact OE1-NE 3.11Å; E49-R53 IonicContact OE1-NH2 3.87Å
50Q93.4Very high89.1Confident89 Ų89109.4 Ų109.442%0.41654%0.536SS..Hα-helixtrans-56.9-45.6172.4-70177.82.500111.6E46 R52 R53 I54E46-Q50 WeakPolarHBondContact O-CG 3.46Å; E46-Q50 PolarHBondContact O-N 3.49Å; Q50-R52 VanDerWaalsContact C-N 3.34Å; Q50-R52 PolarHBondContact O-N 3.48Å; Q50-R53 PolarHBondContact O-N 3.23Å; Q50-I54 WeakPolarHBondContact O-CG1 3.46Å; Q50-I54 PolarHBondContact O-N 3.01Å
51T93.3Very high90.5Very high66 Ų66106.9 Ų106.941%0.40552%0.521SS..Hα-helixtrans-62.3-40.4176.6-56.90000111.9L47 E49 I54 K55L47-T51 WeakPolarHBondContact O-CB 3.44Å; L47-T51 PolarHBondContact O-N 3.43Å; L47-T51 PolarHBondContact O-OG1 2.98Å; E49-T51 VanDerWaalsContact C-N 3.32Å; E49-T51 PolarHBondContact O-N 3.36Å; T51-I54 PolarHBondContact O-N 3.41Å; T51-K55 HydrophobicContact CG2-CD 4.27Å; T51-K55 HydrophobicContact CG2-CG 4.45Å; T51-K55 WeakPolarHBondContact O-CB 3.29Å; T51-K55 WeakPolarHBondContact O-CG 3.49Å; T51-K55 PolarHBondContact O-N 3.45Å
52R93.6Very high92Very high155 Ų155107.6 Ų107.659%0.58553%0.527SS*.Hα-helixtrans-62.3-44.6175.8-78.7174.8176.1-154.6-2.4111.5R48 E49 Q50 K55 K56R48-R52 VanDerWaalsContact O-CG 3.31Å; R48-R52 WeakPolarHBondContact O-CG 3.28Å; R48-R52 PolarHBondContact O-N 3.11Å; E49-R52 WeakPolarHBondContact O-CB 3.37Å; E49-R52 PolarHBondContact O-N 2.94Å; E49-R52 VanDerWaalsContact O-N 3.14Å; Q50-R52 VanDerWaalsContact C-N 3.34Å; Q50-R52 PolarHBondContact O-N 3.48Å; R52-K55 PolarHBondContact O-N 3.47Å; R52-K56 WeakPolarHBondContact O-CB 3.46Å; R52-K56 PolarHBondContact O-N 2.97Å
53R94.9Very high92.8Very high153 Ų153105.1 Ų105.158%0.57750%0.501SS*.Hα-helixtrans-60-46.9176.3-68.3174.2-173.1-172.91.2111.4E49 Q50 K56 Q57E49-R53 WeakPolarHBondContact O-CG 3.2Å; E49-R53 PolarHBondContact O-N 3.13Å; E49-R53 IonicContact OE1-CZ 3.94Å; E49-R53 IonicContact OE1-NE 3.55Å; E49-R53 PolarHBondContact OE1-NE 2.97Å; E49-R53 VanDerWaalsContact OE1-NE 3.11Å; E49-R53 IonicContact OE1-NH2 3.87Å; Q50-R53 PolarHBondContact O-N 3.23Å; R53-K56 PolarHBondContact O-N 3.49Å; R53-Q57 WeakPolarHBondContact O-CG 3.48Å; R53-Q57 PolarHBondContact O-N 3.22Å
54I95.8Very high93.7Very high108 Ų108108.9 Ų108.955%0.55451%0.508SS*.Hα-helixtrans-62.1-46.5177.5-66.5165.5000111.2Q50 T51 K56 Q57 N58Q50-I54 WeakPolarHBondContact O-CG1 3.46Å; Q50-I54 PolarHBondContact O-N 3.01Å; T51-I54 PolarHBondContact O-N 3.41Å; I54-K56 VanDerWaalsContact C-N 3.34Å; I54-K56 PolarHBondContact O-N 3.38Å; I54-Q57 PolarHBondContact O-N 2.88Å; I54-N58 WeakPolarHBondContact O-CB 3.38Å; I54-N58 PolarHBondContact O-N 2.96Å
55K96.3Very high94.3Very high137 Ų137108.4 Ų108.460%0.59651%0.51SS*.Hα-helixtrans-60.9-42.7176.9-76-176.8177.4-172.90111.9T51 R52 N58 I59T51-K55 HydrophobicContact CG2-CD 4.27Å; T51-K55 HydrophobicContact CG2-CG 4.45Å; T51-K55 WeakPolarHBondContact O-CB 3.29Å; T51-K55 WeakPolarHBondContact O-CG 3.49Å; T51-K55 PolarHBondContact O-N 3.45Å; R52-K55 PolarHBondContact O-N 3.47Å; K55-N58 PolarHBondContact O-N 2.84Å; K55-I59 VanDerWaalsContact O-CG1 3.3Å; K55-I59 WeakPolarHBondContact O-CG1 3.4Å; K55-I59 PolarHBondContact O-N 3.41Å
56K96.5Very high95Very high166 Ų166106.5 Ų106.572%0.72250%0.498SS*.Hα-helixtrans-60.7-46.1176.5-173179.1179.7-177.10111.3R52 R53 I54 E60R52-K56 WeakPolarHBondContact O-CB 3.46Å; R52-K56 PolarHBondContact O-N 2.97Å; R53-K56 PolarHBondContact O-N 3.49Å; I54-K56 VanDerWaalsContact C-N 3.34Å; I54-K56 PolarHBondContact O-N 3.38Å; K56-E60 PolarHBondContact O-N 3.36Å; K56-E60 VanDerWaalsContact O-N 3.12Å
57Q97.1Very high95.4Very high108 Ų108103.5 Ų103.551%0.50549%0.486SS..Hα-helixtrans-62.5-42.6175-72.9-177.3-4.500112.2R53 I54 E60 R61R53-Q57 WeakPolarHBondContact O-CG 3.48Å; R53-Q57 PolarHBondContact O-N 3.22Å; I54-Q57 PolarHBondContact O-N 2.88Å; Q57-E60 PolarHBondContact O-N 2.99Å; Q57-R61 WeakPolarHBondContact O-CG 3.33Å; Q57-R61 PolarHBondContact O-N 2.86Å
58N97.5Very high95.8Very high91 Ų91101.8 Ų101.849%0.48748%0.484SS..Hα-helixtrans-65.8-41.1-179.4-167.415.8000112.5I54 K55 E60 R61 S62I54-N58 WeakPolarHBondContact O-CB 3.38Å; I54-N58 PolarHBondContact O-N 2.96Å; K55-N58 PolarHBondContact O-N 2.84Å; N58-E60 VanDerWaalsContact C-N 3.31Å; N58-E60 PolarHBondContact O-N 3.4Å; N58-R61 PolarHBondContact O-N 3.5Å; N58-S62 WeakPolarHBondContact O-CB 3.49Å; N58-S62 PolarHBondContact O-N 3.34Å; N58-S62 PolarHBondContact O-OG 3.03Å
59I96Very high96.2Very high120 Ų120102 Ų10262%0.61549%0.492SS*.Hα-helixtrans-59.3-45.2173.3-70.2167.5000110.2K55 S62 R63K55-I59 VanDerWaalsContact O-CG1 3.3Å; K55-I59 WeakPolarHBondContact O-CG1 3.4Å; K55-I59 PolarHBondContact O-N 3.41Å; I59-S62 PolarHBondContact O-N 2.87Å; I59-R63 PolarHBondContact O-N 2.92Å
60E97.5Very high96.5Very high59 Ų59104.8 Ų104.828%0.27650%0.503SS..Hα-helixtrans-66.5-41.4178.3176.755.1-160.100112.5K56 Q57 N58 S62 R63 R64K56-E60 PolarHBondContact O-N 3.36Å; K56-E60 VanDerWaalsContact O-N 3.12Å; Q57-E60 PolarHBondContact O-N 2.99Å; N58-E60 VanDerWaalsContact C-N 3.31Å; N58-E60 PolarHBondContact O-N 3.4Å; E60-S62 VanDerWaalsContact C-N 3.31Å; E60-S62 PolarHBondContact O-N 2.9Å; E60-R63 WeakPolarHBondContact O-CB 3.5Å; E60-R63 PolarHBondContact O-N 3.22Å; E60-R63 IonicContact OE1-CZ 3.74Å; E60-R63 IonicContact OE1-NE 2.91Å; E60-R63 PolarHBondContact OE1-NE 3Å; E60-R63 IonicContact OE1-NH2 3.65Å; E60-R63 PolarHBondContact OE1-NH2 2.9Å; E60-R63 IonicContact OE2-CZ 2.76Å; E60-R63 IonicContact OE2-NE 3.51Å; E60-R63 PolarHBondContact OE2-NE 3.47Å; E60-R63 IonicContact OE2-NH2 2.74Å; E60-R64 WeakPolarHBondContact O-CG 3.35Å; E60-R64 PolarHBondContact O-N 3.39Å; E60-R64 WeakPolarHBondContact OE1-CG 3.38Å; E60-R64 IonicContact OE1-CZ 3.57Å; E60-R64 IonicContact OE1-NE 3.11Å; E60-R64 PolarHBondContact OE1-NE 3.24Å; E60-R64 IonicContact OE1-NH2 2.78Å
61R97.7Very high96.7Very high149 Ų149106.2 Ų106.256%0.56251%0.511SS*.Hα-helixtrans-58.8-44.6173.3-72.4177.7-163.4164.55.2111.2Q57 N58 R63 R64 A65Q57-R61 WeakPolarHBondContact O-CG 3.33Å; Q57-R61 PolarHBondContact O-N 2.86Å; N58-R61 PolarHBondContact O-N 3.5Å; R61-R63 PolarHBondContact O-N 3.08Å; R61-R64 PolarHBondContact O-N 3.29Å; R61-A65 PolarHBondContact O-N 3.17Å
62S97.8Very high96.7Very high69 Ų69105.9 Ų105.948%0.48351%0.512SS..Hα-helixtrans-62.6-41.7177-58.50000111.7N58 I59 E60 A65 C66N58-S62 WeakPolarHBondContact O-CB 3.49Å; N58-S62 PolarHBondContact O-N 3.34Å; N58-S62 PolarHBondContact O-OG 3.03Å; I59-S62 PolarHBondContact O-N 2.87Å; E60-S62 VanDerWaalsContact C-N 3.31Å; E60-S62 PolarHBondContact O-N 2.9Å; S62-A65 PolarHBondContact O-N 3.12Å; S62-C66 PolarHBondContact O-N 3.23Å
63R98.3Very high96.7Very high93 Ų93102.8 Ų102.835%0.35150%0.504SS..Hα-helixtrans-60.2-46.2174.4-169-167.871.185.93.5111.5I59 E60 R61 C66 I67I59-R63 PolarHBondContact O-N 2.92Å; E60-R63 WeakPolarHBondContact O-CB 3.5Å; E60-R63 PolarHBondContact O-N 3.22Å; E60-R63 IonicContact OE1-CZ 3.74Å; E60-R63 IonicContact OE1-NE 2.91Å; E60-R63 PolarHBondContact OE1-NE 3Å; E60-R63 IonicContact OE1-NH2 3.65Å; E60-R63 PolarHBondContact OE1-NH2 2.9Å; E60-R63 IonicContact OE2-CZ 2.76Å; E60-R63 IonicContact OE2-NE 3.51Å; E60-R63 PolarHBondContact OE2-NE 3.47Å; E60-R63 IonicContact OE2-NH2 2.74Å; R61-R63 PolarHBondContact O-N 3.08Å; R63-C66 PolarHBondContact O-N 3.26Å; R63-I67 HydrophobicContact CG-CD1 4.41Å; R63-I67 WeakPolarHBondContact O-CG1 3.38Å; R63-I67 PolarHBondContact O-N 3.13Å
64R98Very high96.8Very high148 Ų148100.6 Ų100.656%0.55850%0.503SS*.Hα-helixtrans-62.5-43.9177.8-70.7-179.6-175.6-161.9-0.2112.1E60 R61 C66 I67 A68E60-R64 WeakPolarHBondContact O-CG 3.35Å; E60-R64 PolarHBondContact O-N 3.39Å; E60-R64 WeakPolarHBondContact OE1-CG 3.38Å; E60-R64 IonicContact OE1-CZ 3.57Å; E60-R64 IonicContact OE1-NE 3.11Å; E60-R64 PolarHBondContact OE1-NE 3.24Å; E60-R64 IonicContact OE1-NH2 2.78Å; R61-R64 PolarHBondContact O-N 3.29Å; R64-C66 VanDerWaalsContact C-N 3.33Å; R64-C66 PolarHBondContact O-N 2.93Å; R64-I67 PolarHBondContact O-N 3.03Å; R64-A68 WeakPolarHBondContact O-CB 3.34Å; R64-A68 PolarHBondContact O-N 2.71Å
65A97.3Very high96.6Very high60 Ų6099.5 Ų99.550%0.49650%0.495SS..Hα-helixtrans-60-42.7175.700000111.9R61 S62 I67 A68 N69R61-A65 PolarHBondContact O-N 3.17Å; S62-A65 PolarHBondContact O-N 3.12Å; A65-I67 PolarHBondContact O-N 2.93Å; A65-A68 PolarHBondContact O-N 2.93Å; A65-N69 WeakPolarHBondContact O-CB 3.41Å; A65-N69 PolarHBondContact O-N 2.91Å
66C97.7Very high96.3Very high65 Ų6597.2 Ų97.244%0.43949%0.485SS..Hα-helixtrans-61.5-43.6175.8-179.50000112.4S62 R63 R64 N69 K70S62-C66 PolarHBondContact O-N 3.23Å; R63-C66 PolarHBondContact O-N 3.26Å; R64-C66 VanDerWaalsContact C-N 3.33Å; R64-C66 PolarHBondContact O-N 2.93Å; C66-N69 PolarHBondContact O-N 2.85Å; C66-K70 WeakPolarHBondContact O-CG 3.49Å; C66-K70 PolarHBondContact O-N 3.27Å
67I97.5Very high96.2Very high77 Ų7793.9 Ų93.940%0.39548%0.475SS..Hα-helixtrans-63.7-46.8176.5-69.1170.1000111R63 R64 A65 N69 K70 M71R63-I67 HydrophobicContact CG-CD1 4.41Å; R63-I67 WeakPolarHBondContact O-CG1 3.38Å; R63-I67 PolarHBondContact O-N 3.13Å; R64-I67 PolarHBondContact O-N 3.03Å; A65-I67 PolarHBondContact O-N 2.93Å; I67-N69 VanDerWaalsContact C-N 3.27Å; I67-N69 PolarHBondContact O-N 3.02Å; I67-K70 PolarHBondContact O-N 3.05Å; I67-M71 HydrophobicContact CG2-CG 4.36Å; I67-M71 WeakPolarHBondContact O-CG 3Å; I67-M71 PolarHBondContact O-N 3.23Å
68A96.6Very high96Very high50 Ų5090.7 Ų90.741%0.41347%0.467SS..Hα-helixtrans-59.5-39.7178.100000111.7R64 A65 M71 S72R64-A68 WeakPolarHBondContact O-CB 3.34Å; R64-A68 PolarHBondContact O-N 2.71Å; A65-A68 PolarHBondContact O-N 2.93Å; A68-M71 PolarHBondContact O-N 3.19Å; A68-S72 WeakPolarHBondContact O-CB 3.49Å; A68-S72 PolarHBondContact O-N 2.94Å; A68-S72 PolarHBondContact O-OG 3.28Å
69N96.4Very high95.6Very high99 Ų9987.7 Ų87.753%0.52945%0.451SS..Hα-helixtrans-62.1-49.6175.2-166.743000111.2A65 C66 I67 M71 S72 E73A65-N69 WeakPolarHBondContact O-CB 3.41Å; A65-N69 PolarHBondContact O-N 2.91Å; C66-N69 PolarHBondContact O-N 2.85Å; I67-N69 VanDerWaalsContact C-N 3.27Å; I67-N69 PolarHBondContact O-N 3.02Å; N69-M71 VanDerWaalsContact C-N 3.33Å; N69-M71 PolarHBondContact O-N 3.04Å; N69-S72 WeakPolarHBondContact O-CB 3.36Å; N69-S72 PolarHBondContact O-N 3.42Å; N69-S72 VanDerWaalsContact O-N 3.12Å; N69-E73 WeakPolarHBondContact O-CG 3.41Å; N69-E73 PolarHBondContact O-N 2.95Å
70K97.7Very high95.3Very high139 Ų13987 Ų8760%0.60445%0.448SS*.Hα-helixtrans-59.7-41.9177.3-70.7-175.5178.3-172.90112.7C66 I67 S72 E73 L74C66-K70 WeakPolarHBondContact O-CG 3.49Å; C66-K70 PolarHBondContact O-N 3.27Å; I67-K70 PolarHBondContact O-N 3.05Å; K70-S72 VanDerWaalsContact C-N 3.31Å; K70-S72 PolarHBondContact O-N 3.25Å; K70-E73 PolarHBondContact O-N 3.18Å; K70-L74 WeakPolarHBondContact O-CG 3.38Å; K70-L74 PolarHBondContact O-N 3.28Å
71M97.1Very high95Very high119 Ų11990.9 Ų90.959%0.58647%0.47SS*.Hα-helixtrans-63-39.6176-73.1-56.8-5900111.9I67 A68 N69 L74 H75I67-M71 HydrophobicContact CG2-CG 4.36Å; I67-M71 WeakPolarHBondContact O-CG 3Å; I67-M71 PolarHBondContact O-N 3.23Å; A68-M71 PolarHBondContact O-N 3.19Å; N69-M71 VanDerWaalsContact C-N 3.33Å; N69-M71 PolarHBondContact O-N 3.04Å; M71-L74 PolarHBondContact O-N 2.85Å; M71-L74 HydrophobicContact SD-CD1 4.49Å; M71-H75 WeakPolarHBondContact O-CB 3.43Å; M71-H75 PolarHBondContact O-N 3.45Å
72S93.1Very high94.7Very high59 Ų5989.2 Ų89.241%0.41347%0.471SS..Hα-helixtrans-65.7-41.5176.7-56.80000111.6A68 N69 K70 H75 K76A68-S72 WeakPolarHBondContact O-CB 3.49Å; A68-S72 PolarHBondContact O-N 2.94Å; A68-S72 PolarHBondContact O-OG 3.28Å; N69-S72 WeakPolarHBondContact O-CB 3.36Å; N69-S72 PolarHBondContact O-N 3.42Å; N69-S72 VanDerWaalsContact O-N 3.12Å; K70-S72 VanDerWaalsContact C-N 3.31Å; K70-S72 PolarHBondContact O-N 3.25Å; S72-H75 PolarHBondContact O-N 3.4Å; S72-K76 VanDerWaalsContact O-CG 3.29Å; S72-K76 WeakPolarHBondContact O-CG 3.43Å; S72-K76 PolarHBondContact O-N 2.98Å
73E94.5Very high94.1Very high89 Ų8988.9 Ų88.942%0.41648%0.479SS..Hα-helixtrans-66-40.8176-65.8-51.5120.400112.6N69 K70 H75 K76 L77N69-E73 WeakPolarHBondContact O-CG 3.41Å; N69-E73 PolarHBondContact O-N 2.95Å; K70-E73 PolarHBondContact O-N 3.18Å; E73-H75 VanDerWaalsContact C-N 3.33Å; E73-H75 PolarHBondContact O-N 3.48Å; E73-K76 PolarHBondContact O-N 2.8Å; E73-K76 IonicContact OE1-NZ 3.09Å; E73-K76 PolarHBondContact OE1-NZ 3.35Å; E73-L77 WeakPolarHBondContact O-CB 3.17Å; E73-L77 PolarHBondContact O-N 3.29Å
74L95.9Very high93.3Very high107 Ų10788 Ų8856%0.5648%0.48SS*.Hα-helixtrans-62.4-41.4173.1-73.1174.6000111.9K70 M71 L77 A78K70-L74 WeakPolarHBondContact O-CG 3.38Å; K70-L74 PolarHBondContact O-N 3.28Å; M71-L74 PolarHBondContact O-N 2.85Å; M71-L74 HydrophobicContact SD-CD1 4.49Å; L74-L77 PolarHBondContact O-N 3.38Å; L74-A78 WeakPolarHBondContact O-CB 3.42Å; L74-A78 PolarHBondContact O-N 3.47Å
75H92.1Very high92.1Very high85 Ų8585 Ų8539%0.39448%0.475SS..Hα-helixtrans-62.1-46175.1-178.9-94.4000111.4M71 S72 E73 L77 A78 M79 Q89M71-H75 WeakPolarHBondContact O-CB 3.43Å; M71-H75 PolarHBondContact O-N 3.45Å; S72-H75 PolarHBondContact O-N 3.4Å; E73-H75 VanDerWaalsContact C-N 3.33Å; E73-H75 PolarHBondContact O-N 3.48Å; H75-L77 VanDerWaalsContact C-N 3.34Å; H75-L77 PolarHBondContact O-N 3.43Å; H75-A78 PolarHBondContact O-N 2.96Å; H75-M79 WeakPolarHBondContact O-CG 3.4Å; H75-M79 PolarHBondContact O-N 3.36Å; H75-Q89 PolarHBondContact CE1-OE1 3.48Å
76K89.9Confident90.8Very high89 Ų8985.2 Ų85.239%0.38747%0.467SS..Hα-helixtrans-58.6-46.3175.9-69.8168.8-178.7174.30111.8S72 E73 A78 M79 N80 I86S72-K76 VanDerWaalsContact O-CG 3.29Å; S72-K76 WeakPolarHBondContact O-CG 3.43Å; S72-K76 PolarHBondContact O-N 2.98Å; E73-K76 PolarHBondContact O-N 2.8Å; E73-K76 IonicContact OE1-NZ 3.09Å; E73-K76 PolarHBondContact OE1-NZ 3.35Å; K76-A78 PolarHBondContact O-N 3.4Å; K76-M79 PolarHBondContact O-N 3.16Å; K76-N80 WeakPolarHBondContact O-CB 3.45Å; K76-N80 PolarHBondContact O-N 3.02Å; K76-N80 PolarHBondContact O-ND2 3.36Å; K76-N80 PolarHBondContact O-OD1 3.27Å; K76-I86 HydrophobicContact CB-CD1 3.65Å; K76-I86 HydrophobicContact CG-CD1 3.47Å; K76-I86 VanDerWaalsContact CG-CD1 3.47Å
77L93.9Very high89.4Confident97 Ų9787.3 Ų87.351%0.50848%0.482SS..Hα-helixtrans-60.1-45.1177.1179.862.6000111.6E73 L74 H75 N80 L81E73-L77 WeakPolarHBondContact O-CB 3.17Å; E73-L77 PolarHBondContact O-N 3.29Å; L74-L77 PolarHBondContact O-N 3.38Å; H75-L77 VanDerWaalsContact C-N 3.34Å; H75-L77 PolarHBondContact O-N 3.43Å; L77-N80 PolarHBondContact O-N 3.2Å; L77-L81 HydrophobicContact CD1-CG 4.49Å; L77-L81 HydrophobicContact CG-CD1 4.25Å; L77-L81 WeakPolarHBondContact O-CG 3.32Å; L77-L81 PolarHBondContact O-N 2.97Å
78A93.2Very high87.7Confident41 Ų4189.9 Ų89.934%0.33949%0.493SS..Hα-helixtrans-62.1-43.8178.100000112.3L74 H75 K76 L81 I82L74-A78 WeakPolarHBondContact O-CB 3.42Å; L74-A78 PolarHBondContact O-N 3.47Å; H75-A78 PolarHBondContact O-N 2.96Å; K76-A78 PolarHBondContact O-N 3.4Å; A78-L81 PolarHBondContact O-N 3.4Å; A78-I82 VanDerWaalsContact O-CG1 3.32Å; A78-I82 WeakPolarHBondContact O-CG1 3.38Å; A78-I82 PolarHBondContact O-N 3.47Å; A78-I82 VanDerWaalsContact O-N 3.1Å
79M89Confident86Confident28 Ų2891.9 Ų91.914%0.13849%0.493CS..Hα-helixtrans-63.1-43.8176.5-67.2-57.8113.500111.7H75 K76 L81 I82 G83 I84 I86H75-M79 WeakPolarHBondContact O-CG 3.4Å; H75-M79 PolarHBondContact O-N 3.36Å; K76-M79 PolarHBondContact O-N 3.16Å; M79-L81 VanDerWaalsContact C-N 3.29Å; M79-L81 PolarHBondContact O-N 2.79Å; M79-I82 HydrophobicContact CE-CD1 4.15Å; M79-I82 PolarHBondContact O-N 2.93Å; M79-G83 PolarHBondContact O-N 3.41Å; M79-I84 CarbonylContact C-O 3.59Å; M79-I84 PolarHBondContact O-N 3.3Å; M79-I84 VanDerWaalsContact O-N 3.08Å; M79-I86 HydrophobicContact CB-CD1 4.25Å; M79-I86 HydrophobicContact CB-CG1 3.71Å; M79-I86 HydrophobicContact CG-CG1 4.11Å
80N89.3Confident84.3Confident106 Ų10694.6 Ų94.657%0.56750%0.503SS*.Hα-helixtrans-60.2-37.7175.3-68.9-10.7000112.2K76 L77 G83K76-N80 WeakPolarHBondContact O-CB 3.45Å; K76-N80 PolarHBondContact O-N 3.02Å; K76-N80 PolarHBondContact O-ND2 3.36Å; K76-N80 PolarHBondContact O-OD1 3.27Å; L77-N80 PolarHBondContact O-N 3.2Å; N80-G83 PolarHBondContact O-N 3.1Å
81L92.3Very high82.7Confident139 Ų13996.2 Ų96.273%0.72851%0.51SS*.Hα-helixtrans-69.4-34.4177.3-75171.4000113.2L77 A78 M79L77-L81 HydrophobicContact CD1-CG 4.49Å; L77-L81 HydrophobicContact CG-CD1 4.25Å; L77-L81 WeakPolarHBondContact O-CG 3.32Å; L77-L81 PolarHBondContact O-N 2.97Å; A78-L81 PolarHBondContact O-N 3.4Å; M79-L81 VanDerWaalsContact C-N 3.29Å; M79-L81 PolarHBondContact O-N 2.79Å
82I90.2Very high81.3Confident115 Ų11593.7 Ų93.759%0.5950%0.501SS*.Hα-helixtrans-76.3-19.2175.5-59.7163.7000110.6A78 M79 I84A78-I82 VanDerWaalsContact O-CG1 3.32Å; A78-I82 WeakPolarHBondContact O-CG1 3.38Å; A78-I82 PolarHBondContact O-N 3.47Å; A78-I82 VanDerWaalsContact O-N 3.1Å; M79-I82 HydrophobicContact CE-CD1 4.15Å; M79-I82 PolarHBondContact O-N 2.93Å; I82-I84 HydrophobicContact CB-CD1 4.39Å; I82-I84 HydrophobicContact CB-CG1 4.43Å; I82-I84 HydrophobicContact CG2-CD1 3.61Å; I82-I84 HydrophobicContact CG2-CG1 3.85Å
83G86.9Confident80.3Confident62 Ų6296.9 Ų96.964%0.63951%0.51SS*.THydrogen-bonded Turntrans81.919.9-175.800000113.2M79 N80M79-G83 PolarHBondContact O-N 3.41Å; N80-G83 PolarHBondContact O-N 3.1Å
84I80.5Confident79.6Confident75 Ų75101.3 Ų101.339%0.38553%0.528SS..  trans-93.7123.4175-62.6169.9000108.1M79 I82 I86M79-I84 CarbonylContact C-O 3.59Å; M79-I84 PolarHBondContact O-N 3.3Å; M79-I84 VanDerWaalsContact O-N 3.08Å; I82-I84 HydrophobicContact CB-CD1 4.39Å; I82-I84 HydrophobicContact CB-CG1 4.43Å; I82-I84 HydrophobicContact CG2-CD1 3.61Å; I82-I84 HydrophobicContact CG2-CG1 3.85Å; I84-I86 PolarHBondContact O-N 3.04Å
85N74.2Confident78.9Confident85 Ų85101.1 Ų101.146%0.45553%0.531SS..  trans-70.4126.2174.3-69.5-49.2000109.7S87 E88 Q89N85-S87 PolarHBondContact O-N 3.4Å; N85-S87 VanDerWaalsContact O-N 3.17Å; N85-E88 HydrophobicContact CB-CB 4.3Å; N85-E88 HydrophobicContact CB-CG 3.97Å; N85-E88 PolarHBondContact ND2-OE1 3.27Å; N85-E88 WeakPolarHBondContact O-CA 3.27Å; N85-E88 WeakPolarHBondContact O-CB 3.42Å; N85-E88 PolarHBondContact O-N 2.91Å; N85-Q89 PolarHBondContact O-N 2.89Å
86I68.5Low78.6Confident64 Ų64101 Ų10133%0.32853%0.533SS..THydrogen-bonded Turntrans-61.4-27.7177.9-56.4171.9000111K76 M79 I84 E88 Q89K76-I86 HydrophobicContact CB-CD1 3.65Å; K76-I86 HydrophobicContact CG-CD1 3.47Å; K76-I86 VanDerWaalsContact CG-CD1 3.47Å; M79-I86 HydrophobicContact CB-CD1 4.25Å; M79-I86 HydrophobicContact CB-CG1 3.71Å; M79-I86 HydrophobicContact CG-CG1 4.11Å; I84-I86 PolarHBondContact O-N 3.04Å; I86-E88 VanDerWaalsContact C-N 3.28Å; I86-E88 PolarHBondContact O-N 3.44Å; I86-Q89 PolarHBondContact O-N 3.49Å
87S68.3Low78.5Confident108 Ų108100.2 Ų100.276%0.75553%0.532SS*.THydrogen-bonded Turntrans-66.3-28.2173.153.80000113.4N85N85-S87 PolarHBondContact O-N 3.4Å; N85-S87 VanDerWaalsContact O-N 3.17Å
88E62.5Low78.4Confident132 Ų132101.5 Ų101.562%0.61754%0.539SS*.THydrogen-bonded Turntrans-82.9-19.8175.2-68.4169.8-152.200111.7N85 I86 Q90N85-E88 HydrophobicContact CB-CB 4.3Å; N85-E88 HydrophobicContact CB-CG 3.97Å; N85-E88 PolarHBondContact ND2-OE1 3.27Å; N85-E88 WeakPolarHBondContact O-CA 3.27Å; N85-E88 WeakPolarHBondContact O-CB 3.42Å; N85-E88 PolarHBondContact O-N 2.91Å; I86-E88 VanDerWaalsContact C-N 3.28Å; I86-E88 PolarHBondContact O-N 3.44Å; E88-Q90 PolarHBondContact O-N 2.97Å
89Q61.3Low78.4Confident91 Ų91101.3 Ų101.343%0.42554%0.541SS..  trans-7678.3171.2-161.7175.92000109.2H75 N85 I86 K91H75-Q89 PolarHBondContact CE1-OE1 3.48Å; N85-Q89 PolarHBondContact O-N 2.89Å; I86-Q89 PolarHBondContact O-N 3.49Å; Q89-K91 PolarHBondContact O-N 3.36Å; Q89-K91 VanDerWaalsContact O-N 3.13Å
90Q61.2Low78.5Confident157 Ų157105.1 Ų105.173%0.73456%0.56SS**  trans-50.3125.6159.3-68.4-173.1-21.800106.7E88 T92E88-Q90 PolarHBondContact O-N 2.97Å; Q90-T92 PolarHBondContact O-N 3.25Å
91K64Low78.8Confident172 Ų172102.7 Ų102.775%0.74855%0.55SS**  trans-63.783.5162.5-73.2177.1-177.3166.50105.4Q89 E93Q89-K91 PolarHBondContact O-N 3.36Å; Q89-K91 VanDerWaalsContact O-N 3.13Å; K91-E93 PolarHBondContact O-N 2.93Å
92T66.2Low78.9Confident66 Ų66103.2 Ų103.241%0.40554%0.544SS..  trans-55.8112.5171.150.70000105Q90Q90-T92 PolarHBondContact O-N 3.25Å
93E73.3Confident79.1Confident127 Ų127101.7 Ų101.759%0.59353%0.534SS*.  trans-61.6154.8-179-65.9-167.3166.900107.8K91 V95 D96 I97K91-E93 PolarHBondContact O-N 2.93Å; E93-V95 PolarHBondContact O-N 2.74Å; E93-D96 PolarHBondContact N-OD2 3Å; E93-D96 WeakPolarHBondContact O-CB 3.47Å; E93-D96 PolarHBondContact O-N 2.79Å; E93-I97 PolarHBondContact O-N 2.91Å
94K78.2Confident79.6Confident181 Ų181102.8 Ų102.879%0.78753%0.528SS*.Hα-helixtrans-52.4-32.5174.6-69.9-176.4178.91800110.9L98K94-L98 WeakPolarHBondContact O-CB 3.24Å; K94-L98 WeakPolarHBondContact O-CD1 3.38Å; K94-L98 WeakPolarHBondContact O-CG 3.32Å; K94-L98 PolarHBondContact O-N 2.93Å
95V81.4Confident80.3Confident103 Ų103106 Ų10662%0.62454%0.54SS*.Hα-helixtrans-65.6-44.2175.7-175.70000111.6E93 L98 G99E93-V95 PolarHBondContact O-N 2.74Å; V95-L98 PolarHBondContact O-N 3.25Å; V95-G99 PolarHBondContact O-N 3.33Å
96D85.9Confident81.3Confident82 Ų82106.3 Ų106.344%0.43954%0.537SS..Hα-helixtrans-63.9-44.3177.9-58.7-32.8000111.5E93 L98 G99 M100E93-D96 PolarHBondContact N-OD2 3Å; E93-D96 WeakPolarHBondContact O-CB 3.47Å; E93-D96 PolarHBondContact O-N 2.79Å; D96-L98 VanDerWaalsContact C-N 3.3Å; D96-L98 PolarHBondContact O-N 3.33Å; D96-G99 PolarHBondContact O-N 3.04Å; D96-M100 WeakPolarHBondContact O-CG 3.43Å; D96-M100 PolarHBondContact O-N 2.68Å
97I89.3Confident82.6Confident74 Ų74108 Ų10838%0.37955%0.547SS..Hα-helixtrans-59.8-45176.4-59.8173.5000110.2E93 M100 C101E93-I97 PolarHBondContact O-N 2.91Å; I97-M100 HydrophobicContact CB-CE 4.44Å; I97-M100 HydrophobicContact CG1-CE 4.23Å; I97-M100 PolarHBondContact O-N 3.25Å; I97-C101 WeakPolarHBondContact O-CB 3.33Å; I97-C101 PolarHBondContact O-N 2.94Å; I97-C101 PolarHBondContact O-SG 3.34Å
98L91.7Very high83.8Confident124 Ų124105.8 Ų105.865%0.64953%0.529SS*.Hα-helixtrans-64.3-40176.7-72.5168.8000111.9K94 V95 D96 C101 Y102K94-L98 WeakPolarHBondContact O-CB 3.24Å; K94-L98 WeakPolarHBondContact O-CD1 3.38Å; K94-L98 WeakPolarHBondContact O-CG 3.32Å; K94-L98 PolarHBondContact O-N 2.93Å; V95-L98 PolarHBondContact O-N 3.25Å; D96-L98 VanDerWaalsContact C-N 3.3Å; D96-L98 PolarHBondContact O-N 3.33Å; L98-C101 PolarHBondContact O-N 3.36Å; L98-Y102 WeakPolarHBondContact O-CB 3.48Å; L98-Y102 PolarHBondContact O-N 2.96Å
99G91.9Very high85.2Confident37 Ų37101.7 Ų101.738%0.38152%0.517SS..Hα-helixtrans-62.4-47.117600000112.3V95 D96 C101 Y102 E103V95-G99 PolarHBondContact O-N 3.33Å; D96-G99 PolarHBondContact O-N 3.04Å; G99-C101 PolarHBondContact O-N 3.37Å; G99-Y102 WeakPolarHBondContact O-CB 3.43Å; G99-Y102 PolarHBondContact O-N 3.12Å; G99-E103 PolarHBondContact O-N 3.26Å
100M91.4Very high86.8Confident107 Ų107100.8 Ų100.853%0.52752%0.518SS..Hα-helixtrans-59.9-47174.5-70.2-173.4-62.400111.5D96 I97 Y102 E103 V104D96-M100 WeakPolarHBondContact O-CG 3.43Å; D96-M100 PolarHBondContact O-N 2.68Å; I97-M100 HydrophobicContact CB-CE 4.44Å; I97-M100 HydrophobicContact CG1-CE 4.23Å; I97-M100 PolarHBondContact O-N 3.25Å; M100-Y102 VanDerWaalsContact C-N 3.3Å; M100-Y102 PolarHBondContact O-N 3.49Å; M100-E103 PolarHBondContact O-N 3.32Å; M100-V104 WeakPolarHBondContact O-CG2 3.44Å; M100-V104 PolarHBondContact O-N 3.42Å
101C95Very high88.4Confident55 Ų5597.4 Ų97.437%0.37250%0.504SS..Hα-helixtrans-58.6-43.6176.1-740000111.6I97 L98 G99 V104 F105I97-C101 WeakPolarHBondContact O-CB 3.33Å; I97-C101 PolarHBondContact O-N 2.94Å; I97-C101 PolarHBondContact O-SG 3.34Å; L98-C101 PolarHBondContact O-N 3.36Å; G99-C101 PolarHBondContact O-N 3.37Å; C101-V104 PolarHBondContact O-N 3.28Å; C101-F105 HydrophobicContact CB-CD2 4.4Å; C101-F105 HydrophobicContact CB-CE2 4.16Å; C101-F105 WeakPolarHBondContact O-CD2 3.42Å; C101-F105 WeakPolarHBondContact O-CG 3.29Å; C101-F105 PolarHBondContact O-N 3.12Å
102Y94.8Very high89.8Confident151 Ų15190.7 Ų90.759%0.59248%0.476SS*.Hα-helixtrans-60.9-47.8178.5178.3-97.1000111.9L98 G99 M100 V104 F105 K106L98-Y102 WeakPolarHBondContact O-CB 3.48Å; L98-Y102 PolarHBondContact O-N 2.96Å; G99-Y102 WeakPolarHBondContact O-CB 3.43Å; G99-Y102 PolarHBondContact O-N 3.12Å; M100-Y102 VanDerWaalsContact C-N 3.3Å; M100-Y102 PolarHBondContact O-N 3.49Å; Y102-V104 PolarHBondContact O-N 3.42Å; Y102-F105 PolarHBondContact O-N 3.47Å; Y102-K106 HydrophobicContact CE1-CD 4.06Å; Y102-K106 VanDerWaalsContact O-CB 3.28Å; Y102-K106 WeakPolarHBondContact O-CB 3.44Å; Y102-K106 PolarHBondContact O-N 2.98Å
103E95.3Very high91Very high82 Ų8292.8 Ų92.838%0.38349%0.485SS..Hα-helixtrans-64.8-39.1177.9-75-60.4151.500112.1G99 M100 K106 N107G99-E103 PolarHBondContact O-N 3.26Å; M100-E103 PolarHBondContact O-N 3.32Å; E103-K106 PolarHBondContact O-N 3.49Å; E103-K106 IonicContact OE1-NZ 3.49Å; E103-K106 PolarHBondContact OE1-NZ 2.79Å; E103-K106 VanDerWaalsContact OE1-NZ 3.11Å; E103-K106 IonicContact OE2-NZ 3.77Å; E103-K106 PolarHBondContact OE2-NZ 3.01Å; E103-K106 VanDerWaalsContact OE2-NZ 3.09Å; E103-N107 WeakPolarHBondContact O-CB 3.43Å; E103-N107 PolarHBondContact O-N 2.94Å; E103-N107 PolarHBondContact O-ND2 2.91Å
104V96.5Very high91.9Very high85 Ų8593.3 Ų93.352%0.51549%0.487SS..Hα-helixtrans-60.2-49.1173.1171.20000110.9M100 C101 Y102 K106 N107 V108M100-V104 WeakPolarHBondContact O-CG2 3.44Å; M100-V104 PolarHBondContact O-N 3.42Å; C101-V104 PolarHBondContact O-N 3.28Å; Y102-V104 PolarHBondContact O-N 3.42Å; V104-K106 VanDerWaalsContact C-N 3.33Å; V104-K106 PolarHBondContact O-N 2.86Å; V104-N107 PolarHBondContact O-N 3.13Å; V104-V108 HydrophobicContact CG1-CG2 4.43Å; V104-V108 VanDerWaalsContact O-CG2 3.29Å; V104-V108 WeakPolarHBondContact O-CG2 3.06Å; V104-V108 PolarHBondContact O-N 3.03Å
105F95.4Very high92.6Very high143 Ų14387.7 Ų87.763%0.62747%0.466SS*.Hα-helixtrans-65.7-35.7-180-71.2-49.6000112.9C101 Y102 V108 A109C101-F105 HydrophobicContact CB-CD2 4.4Å; C101-F105 HydrophobicContact CB-CE2 4.16Å; C101-F105 WeakPolarHBondContact O-CD2 3.42Å; C101-F105 WeakPolarHBondContact O-CG 3.29Å; C101-F105 PolarHBondContact O-N 3.12Å; Y102-F105 PolarHBondContact O-N 3.47Å; F105-V108 PolarHBondContact O-N 3.43Å; F105-A109 WeakPolarHBondContact O-CB 3.45Å; F105-A109 PolarHBondContact O-N 3.32Å
106K95.4Very high93Very high91 Ų9187.2 Ų87.240%0.39647%0.465SS..Hα-helixtrans-63.1-46.2174178.5179.3160.6-152.40111.3Y102 E103 V104 V108 A109 V110Y102-K106 HydrophobicContact CE1-CD 4.06Å; Y102-K106 VanDerWaalsContact O-CB 3.28Å; Y102-K106 WeakPolarHBondContact O-CB 3.44Å; Y102-K106 PolarHBondContact O-N 2.98Å; E103-K106 PolarHBondContact O-N 3.49Å; E103-K106 IonicContact OE1-NZ 3.49Å; E103-K106 PolarHBondContact OE1-NZ 2.79Å; E103-K106 VanDerWaalsContact OE1-NZ 3.11Å; E103-K106 IonicContact OE2-NZ 3.77Å; E103-K106 PolarHBondContact OE2-NZ 3.01Å; E103-K106 VanDerWaalsContact OE2-NZ 3.09Å; V104-K106 VanDerWaalsContact C-N 3.33Å; V104-K106 PolarHBondContact O-N 2.86Å; K106-V108 PolarHBondContact O-N 3.01Å; K106-A109 WeakPolarHBondContact O-CB 3.39Å; K106-A109 PolarHBondContact O-N 3.45Å; K106-V110 WeakPolarHBondContact O-CG2 3.43Å; K106-V110 PolarHBondContact O-N 3.21Å
107N95.3Very high93.3Very high101 Ų10191.1 Ų91.154%0.5448%0.481SS..Hα-helixtrans-63.6-41.5176.3-69.2-23.9000111.8E103 V104 A109 V110 L111E103-N107 WeakPolarHBondContact O-CB 3.43Å; E103-N107 PolarHBondContact O-N 2.94Å; E103-N107 PolarHBondContact O-ND2 2.91Å; V104-N107 PolarHBondContact O-N 3.13Å; N107-A109 VanDerWaalsContact C-N 3.33Å; N107-A109 PolarHBondContact O-N 3.36Å; N107-V110 PolarHBondContact O-N 3.38Å; N107-L111 WeakPolarHBondContact O-CB 3.47Å; N107-L111 PolarHBondContact O-N 3.06Å
108V94Very high93.4Very high61 Ų6191.6 Ų91.637%0.3748%0.484SS..Hα-helixtrans-61.6-41.9173.1171.10000111V104 F105 K106 V110 L111 L112V104-V108 HydrophobicContact CG1-CG2 4.43Å; V104-V108 VanDerWaalsContact O-CG2 3.29Å; V104-V108 WeakPolarHBondContact O-CG2 3.06Å; V104-V108 PolarHBondContact O-N 3.03Å; F105-V108 PolarHBondContact O-N 3.43Å; K106-V108 PolarHBondContact O-N 3.01Å; V108-V110 PolarHBondContact O-N 3.37Å; V108-L111 PolarHBondContact O-N 2.94Å; V108-L112 HydrophobicContact CG1-CD1 3.77Å; V108-L112 HydrophobicContact CG1-CG 4.22Å; V108-L112 WeakPolarHBondContact O-CB 3.41Å; V108-L112 WeakPolarHBondContact O-CG 3.4Å; V108-L112 PolarHBondContact O-N 2.82Å
109A92.7Very high93.4Very high45 Ų4589.5 Ų89.537%0.37247%0.469SS..Hα-helixtrans-64-40178.400000112.5F105 K106 N107 N113F105-A109 WeakPolarHBondContact O-CB 3.45Å; F105-A109 PolarHBondContact O-N 3.32Å; K106-A109 WeakPolarHBondContact O-CB 3.39Å; K106-A109 PolarHBondContact O-N 3.45Å; N107-A109 VanDerWaalsContact C-N 3.33Å; N107-A109 PolarHBondContact O-N 3.36Å; A109-N113 VanDerWaalsContact O-CG 3.26Å; A109-N113 PolarHBondContact O-N 3.02Å; A109-N113 VanDerWaalsContact O-N 3.11Å; A109-N113 PolarHBondContact O-ND2 2.93Å; A109-N113 VanDerWaalsContact O-ND2 3.13Å
110V94Very high93.3Very high73 Ų7394.7 Ų94.744%0.44248%0.484SS..Hα-helixtrans-61.5-51.5173173.60000110.2K106 N107 V108 L112 N113 E114K106-V110 WeakPolarHBondContact O-CG2 3.43Å; K106-V110 PolarHBondContact O-N 3.21Å; N107-V110 PolarHBondContact O-N 3.38Å; V108-V110 PolarHBondContact O-N 3.37Å; V110-L112 VanDerWaalsContact C-N 3.29Å; V110-L112 PolarHBondContact O-N 2.94Å; V110-N113 PolarHBondContact O-N 3.49Å; V110-E114 PolarHBondContact O-N 3.26Å
111L94.2Very high93.3Very high86 Ų8695.9 Ų95.945%0.4549%0.486SS..Hα-helixtrans-56.4-41.1179.5-176.270.6000112.8N107 V108 N113 E114 N115N107-L111 WeakPolarHBondContact O-CB 3.47Å; N107-L111 PolarHBondContact O-N 3.06Å; V108-L111 PolarHBondContact O-N 2.94Å; L111-N113 VanDerWaalsContact C-N 3.34Å; L111-E114 PolarHBondContact O-N 3.22Å; L111-N115 WeakPolarHBondContact O-CB 3.48Å; L111-N115 PolarHBondContact O-N 3.38Å; L111-N115 PolarHBondContact O-ND2 3.49Å
112L93.5Very high93.1Very high30 Ų3096.7 Ų96.716%0.15749%0.486CS..Hα-helixtrans-72.2-26.5178.2-68.1171.5000113.1V108 V110 N115 L118 K119 L122V108-L112 HydrophobicContact CG1-CD1 3.77Å; V108-L112 HydrophobicContact CG1-CG 4.22Å; V108-L112 WeakPolarHBondContact O-CB 3.41Å; V108-L112 WeakPolarHBondContact O-CG 3.4Å; V108-L112 PolarHBondContact O-N 2.82Å; V110-L112 VanDerWaalsContact C-N 3.29Å; V110-L112 PolarHBondContact O-N 2.94Å; L112-N115 CarbonylContact O-C 3.6Å; L112-L118 HydrophobicContact CD2-CB 4.14Å; L112-K119 HydrophobicContact CB-CB 4.33Å; L112-K119 HydrophobicContact CD2-CB 4.41Å; L112-K119 WeakPolarHBondContact O-CB 3.47Å; L112-L122 HydrophobicContact CD1-CD2 3.47Å; L112-L122 VanDerWaalsContact CD1-CD2 3.47Å; L112-L122 HydrophobicContact CD2-CD2 4.06Å; L112-L122 HydrophobicContact CG-CD2 4.43Å
113N91.2Very high92.9Very high111 Ų11196.1 Ų96.159%0.59449%0.487SS*.Hα-helixtrans-79.1-31.5174.8-72.9-29.8000111.8A109 V110 L111 K119A109-N113 VanDerWaalsContact O-CG 3.26Å; A109-N113 PolarHBondContact O-N 3.02Å; A109-N113 VanDerWaalsContact O-N 3.11Å; A109-N113 PolarHBondContact O-ND2 2.93Å; A109-N113 VanDerWaalsContact O-ND2 3.13Å; V110-N113 PolarHBondContact O-N 3.49Å; L111-N113 VanDerWaalsContact C-N 3.34Å; N113-K119 PolarHBondContact OD1-NZ 2.9Å
114E93.7Very high92.7Very high137 Ų13798 Ų9864%0.6450%0.496SS*.Hα-helixtrans-74.3-30.1173.1-68.2174.2175.600112.5V110 L111 P116V110-E114 PolarHBondContact O-N 3.26Å; L111-E114 PolarHBondContact O-N 3.22Å; E114-P116 WeakPolarHBondContact O-CD 3.47Å
115N91.7Very high92.4Very high64 Ų6498.7 Ų98.734%0.34249%0.494SS..  trans-119.489.8-177.9-62-85000111.8L111 L112 E117 L118 K119L111-N115 WeakPolarHBondContact O-CB 3.48Å; L111-N115 PolarHBondContact O-N 3.38Å; L111-N115 PolarHBondContact O-ND2 3.49Å; L112-N115 CarbonylContact O-C 3.6Å; N115-E117 VanDerWaalsContact C-N 3.29Å; N115-E117 PolarHBondContact O-N 3.24Å; N115-L118 HydrophobicContact CB-CB 4.02Å; N115-L118 HydrophobicContact CB-CD1 3.65Å; N115-L118 HydrophobicContact CB-CG 4.22Å; N115-L118 PolarHBondContact O-N 2.89Å; N115-K119 PolarHBondContact O-N 3.33Å
116P90Very high92.1Very high92 Ų9295.5 Ų95.560%0.59749%0.489SS*.Hα-helixtrans-63.9-31.3-176.524.7-33.6000113.5E114 K119 E120E114-P116 WeakPolarHBondContact O-CD 3.47Å; P116-K119 WeakPolarHBondContact O-CB 3.34Å; P116-K119 PolarHBondContact O-N 3.27Å; P116-E120 PolarHBondContact O-N 2.84Å
117E91.6Very high91.8Very high164 Ų16496.7 Ų96.777%0.76650%0.496SS*.Hα-helixtrans-63-42.6176.2-63.9-174.7176.600112N115 K119 E120 K121N115-E117 VanDerWaalsContact C-N 3.29Å; N115-E117 PolarHBondContact O-N 3.24Å; E117-K119 VanDerWaalsContact C-N 3.3Å; E117-K119 PolarHBondContact O-N 3.41Å; E117-E120 PolarHBondContact O-N 2.86Å; E117-K121 WeakPolarHBondContact O-CB 3.46Å; E117-K121 PolarHBondContact O-N 3.46Å
118L91.6Very high91.5Very high85 Ų8596 Ų9645%0.44549%0.489SS..Hα-helixtrans-64.3-37.5175.6-82164.6000111.2L112 N115 K121 L122L112-L118 HydrophobicContact CD2-CB 4.14Å; N115-L118 HydrophobicContact CB-CB 4.02Å; N115-L118 HydrophobicContact CB-CD1 3.65Å; N115-L118 HydrophobicContact CB-CG 4.22Å; N115-L118 PolarHBondContact O-N 2.89Å; L118-K121 PolarHBondContact O-N 3.35Å; L118-L122 WeakPolarHBondContact O-CB 3.39Å; L118-L122 PolarHBondContact O-N 3.44Å
119K91.9Very high91.1Very high80 Ų8097.4 Ų97.435%0.34850%0.497SS..Hα-helixtrans-64.4-41.4175.6-172.8175.2-175.21670112.5L112 N113 N115 P116 E117 K123L112-K119 HydrophobicContact CB-CB 4.33Å; L112-K119 HydrophobicContact CD2-CB 4.41Å; L112-K119 WeakPolarHBondContact O-CB 3.47Å; N113-K119 PolarHBondContact OD1-NZ 2.9Å; N115-K119 PolarHBondContact O-N 3.33Å; P116-K119 WeakPolarHBondContact O-CB 3.34Å; P116-K119 PolarHBondContact O-N 3.27Å; E117-K119 VanDerWaalsContact C-N 3.3Å; E117-K119 PolarHBondContact O-N 3.41Å; K119-K123 WeakPolarHBondContact O-CG 3.3Å; K119-K123 PolarHBondContact O-N 2.94Å
120E90.4Very high90.6Very high145 Ų145103.1 Ų103.168%0.67851%0.51SS*.Hα-helixtrans-66.8-45.9175.6-172.3170.8-170.200111.6P116 E117 L122 K123 Q124P116-E120 PolarHBondContact O-N 2.84Å; E117-E120 PolarHBondContact O-N 2.86Å; E120-L122 VanDerWaalsContact C-N 3.32Å; E120-L122 PolarHBondContact O-N 2.91Å; E120-K123 WeakPolarHBondContact O-CB 3.45Å; E120-K123 PolarHBondContact O-N 3.31Å; E120-K123 VanDerWaalsContact O-N 3.12Å; E120-Q124 PolarHBondContact O-N 2.93Å
121K91.9Very high89.7Confident133 Ų133103.8 Ų103.858%0.57851%0.51SS*.Hα-helixtrans-58.6-41.8175.4-172.4175.3-177.8176.60112.4E117 L118 Q124 M125E117-K121 WeakPolarHBondContact O-CB 3.46Å; E117-K121 PolarHBondContact O-N 3.46Å; L118-K121 PolarHBondContact O-N 3.35Å; K121-Q124 PolarHBondContact O-N 2.76Å; K121-M125 WeakPolarHBondContact O-CB 3.44Å; K121-M125 PolarHBondContact O-N 3.49Å
122L90.3Very high88.8Confident71 Ų71106 Ų10637%0.37252%0.516SS..Hα-helixtrans-65-42.3175.4-177.465.4000111.5L112 L118 E120 Q124 M125 C126L112-L122 HydrophobicContact CD1-CD2 3.47Å; L112-L122 VanDerWaalsContact CD1-CD2 3.47Å; L112-L122 HydrophobicContact CD2-CD2 4.06Å; L112-L122 HydrophobicContact CG-CD2 4.43Å; L118-L122 WeakPolarHBondContact O-CB 3.39Å; L118-L122 PolarHBondContact O-N 3.44Å; E120-L122 VanDerWaalsContact C-N 3.32Å; E120-L122 PolarHBondContact O-N 2.91Å; L122-Q124 VanDerWaalsContact C-N 3.33Å; L122-Q124 PolarHBondContact O-N 3.08Å; L122-M125 PolarHBondContact O-N 3.12Å; L122-C126 WeakPolarHBondContact O-CB 3.37Å; L122-C126 PolarHBondContact O-N 3.25Å; L122-C126 PolarHBondContact O-SG 3.31Å
123K90.4Very high87.6Confident139 Ų139107.6 Ų107.660%0.60453%0.53SS*.Hα-helixtrans-59.4-43.4174.9-77.8177.3176.1-175.70111.8K119 E120 C126 H127K119-K123 WeakPolarHBondContact O-CG 3.3Å; K119-K123 PolarHBondContact O-N 2.94Å; E120-K123 WeakPolarHBondContact O-CB 3.45Å; E120-K123 PolarHBondContact O-N 3.31Å; E120-K123 VanDerWaalsContact O-N 3.12Å; K123-C126 PolarHBondContact O-N 3.44Å; K123-H127 PolarHBondContact O-N 2.9Å
124Q91Very high86.2Confident123 Ų123107.9 Ų107.958%0.57553%0.526SS*.Hα-helixtrans-61-46.8176.3-172.2176.318.400111.1E120 K121 L122 C126 H127 E128E120-Q124 PolarHBondContact O-N 2.93Å; K121-Q124 PolarHBondContact O-N 2.76Å; L122-Q124 VanDerWaalsContact C-N 3.33Å; L122-Q124 PolarHBondContact O-N 3.08Å; Q124-C126 PolarHBondContact O-N 3.21Å; Q124-H127 WeakPolarHBondContact O-CB 3.32Å; Q124-H127 PolarHBondContact O-N 2.95Å; Q124-E128 PolarHBondContact O-N 3.28Å
125M91.2Very high84.5Confident99 Ų99106.8 Ų106.849%0.48853%0.525SS..Hα-helixtrans-63-42.7177.6-164.7-173-47.900112.5K121 L122 H127 E128 V129K121-M125 WeakPolarHBondContact O-CB 3.44Å; K121-M125 PolarHBondContact O-N 3.49Å; L122-M125 PolarHBondContact O-N 3.12Å; M125-H127 VanDerWaalsContact C-N 3.28Å; M125-H127 PolarHBondContact O-N 3.26Å; M125-E128 PolarHBondContact O-N 2.78Å; M125-V129 WeakPolarHBondContact O-CG2 3.24Å; M125-V129 PolarHBondContact O-N 2.87Å
126C88.9Confident83Confident75 Ų75112.2 Ų112.251%0.50755%0.545SS..Hα-helixtrans-60.8-38.1174.7-74.60000111.8L122 K123 Q124 R130L122-C126 WeakPolarHBondContact O-CB 3.37Å; L122-C126 PolarHBondContact O-N 3.25Å; L122-C126 PolarHBondContact O-SG 3.31Å; K123-C126 PolarHBondContact O-N 3.44Å; Q124-C126 PolarHBondContact O-N 3.21Å; C126-R130 VanDerWaalsContact O-CB 3.24Å; C126-R130 WeakPolarHBondContact O-CB 3.45Å; C126-R130 PolarHBondContact O-N 3.43Å
127H88.4Confident81.3Confident117 Ų117115.4 Ų115.454%0.54255%0.552SS.*Hα-helixtrans-66.9-45175-170.6-97.9000111.5K123 Q124 M125 V129 R130 L131K123-H127 PolarHBondContact O-N 2.9Å; Q124-H127 WeakPolarHBondContact O-CB 3.32Å; Q124-H127 PolarHBondContact O-N 2.95Å; M125-H127 VanDerWaalsContact C-N 3.28Å; M125-H127 PolarHBondContact O-N 3.26Å; H127-V129 PolarHBondContact O-N 2.97Å; H127-R130 PolarHBondContact O-N 2.96Å; H127-L131 WeakPolarHBondContact CE1-CD1 3.41Å; H127-L131 WeakPolarHBondContact ND1-CD1 3.35Å; H127-L131 VanDerWaalsContact O-CG 3.32Å; H127-L131 WeakPolarHBondContact O-CG 3.45Å; H127-L131 PolarHBondContact O-N 3.38Å
128E88.4Confident79.4Confident85 Ų85114.8 Ų114.840%0.39755%0.549SS..Hα-helixtrans-60.8-44176.3-73.1-175.5-160.900113.3Q124 M125 R130 L131 K132Q124-E128 PolarHBondContact O-N 3.28Å; M125-E128 PolarHBondContact O-N 2.78Å; E128-R130 VanDerWaalsContact C-N 3.35Å; E128-L131 PolarHBondContact O-N 2.91Å; E128-K132 WeakPolarHBondContact O-CB 3.39Å; E128-K132 VanDerWaalsContact O-CG 3.27Å; E128-K132 WeakPolarHBondContact O-CG 3.37Å; E128-K132 PolarHBondContact O-N 3.29Å; E128-K132 IonicContact OE2-NZ 3.11Å
129V85.1Confident77.4Confident91 Ų91117.7 Ų117.755%0.55257%0.565SS**Hα-helixtrans-64.7-42.6177.5173.10000110.4M125 H127 K132 S133M125-V129 WeakPolarHBondContact O-CG2 3.24Å; M125-V129 PolarHBondContact O-N 2.87Å; H127-V129 PolarHBondContact O-N 2.97Å; V129-K132 PolarHBondContact O-N 3.09Å; V129-S133 WeakPolarHBondContact O-CB 3.28Å; V129-S133 PolarHBondContact O-N 3.42Å
130R83.4Confident75.3Confident166 Ų166119.9 Ų119.963%0.62659%0.585SS**Hα-helixtrans-61-46.1176.5-174.1168.9-174.1141.62111C126 H127 E128 S133 F134C126-R130 VanDerWaalsContact O-CB 3.24Å; C126-R130 WeakPolarHBondContact O-CB 3.45Å; C126-R130 PolarHBondContact O-N 3.43Å; H127-R130 PolarHBondContact O-N 2.96Å; E128-R130 VanDerWaalsContact C-N 3.35Å; R130-S133 PolarHBondContact O-N 2.88Å; R130-S133 PolarHBondContact O-OG 3.37Å; R130-F134 HydrophobicContact CG-CD2 4.02Å; R130-F134 HydrophobicContact CG-CE2 3.5Å; R130-F134 VanDerWaalsContact CG-CE2 3.5Å; R130-F134 WeakPolarHBondContact O-CD2 3.31Å; R130-F134 PolarHBondContact O-N 3.31Å
131L75.4Confident73Confident86 Ų86117.2 Ų117.245%0.4558%0.582SS.*Hα-helixtrans-62.3-44.1175.9-70179.4000112.6H127 E128 S133 F134 N135H127-L131 WeakPolarHBondContact CE1-CD1 3.41Å; H127-L131 WeakPolarHBondContact ND1-CD1 3.35Å; H127-L131 VanDerWaalsContact O-CG 3.32Å; H127-L131 WeakPolarHBondContact O-CG 3.45Å; H127-L131 PolarHBondContact O-N 3.38Å; E128-L131 PolarHBondContact O-N 2.91Å; L131-S133 VanDerWaalsContact C-N 3.26Å; L131-S133 PolarHBondContact O-N 3.22Å; L131-F134 PolarHBondContact O-N 3.3Å; L131-N135 PolarHBondContact O-N 3.23Å; L131-N135 VanDerWaalsContact O-N 3.12Å
132K75.3Confident70.6Confident133 Ų133118.4 Ų118.458%0.57860%0.595SS**Hα-helixtrans-62.6-32.7176.6-72.9168.1-177.61660112.3E128 V129 K136E128-K132 WeakPolarHBondContact O-CB 3.39Å; E128-K132 VanDerWaalsContact O-CG 3.27Å; E128-K132 WeakPolarHBondContact O-CG 3.37Å; E128-K132 PolarHBondContact O-N 3.29Å; E128-K132 IonicContact OE2-NZ 3.11Å; V129-K132 PolarHBondContact O-N 3.09Å; K132-K136 PolarHBondContact O-N 2.98Å
133S67.6Low68.4Low64 Ų64122.1 Ų122.145%0.44862%0.615SS.*Hα-helixtrans-71.2-32.9177.6730000113.5V129 R130 L131V129-S133 WeakPolarHBondContact O-CB 3.28Å; V129-S133 PolarHBondContact O-N 3.42Å; R130-S133 PolarHBondContact O-N 2.88Å; R130-S133 PolarHBondContact O-OG 3.37Å; L131-S133 VanDerWaalsContact C-N 3.26Å; L131-S133 PolarHBondContact O-N 3.22Å
134F61Low66.2Low117 Ų117123.1 Ų123.151%0.51363%0.627SS.*Hα-helixtrans-77.1-37.1176-72-64.8000112.6R130 L131 K136 Q137R130-F134 HydrophobicContact CG-CD2 4.02Å; R130-F134 HydrophobicContact CG-CE2 3.5Å; R130-F134 VanDerWaalsContact CG-CE2 3.5Å; R130-F134 WeakPolarHBondContact O-CD2 3.31Å; R130-F134 PolarHBondContact O-N 3.31Å; L131-F134 PolarHBondContact O-N 3.3Å; F134-K136 PolarHBondContact O-N 3.42Å; F134-Q137 PolarHBondContact O-N 3.14Å
135N59.9Low64Low114 Ų114123.7 Ų123.761%0.6163%0.634SS**Hα-helixtrans-65.9-26.6178-72.3-7.7000112.8L131 Q137L131-N135 PolarHBondContact O-N 3.23Å; L131-N135 VanDerWaalsContact O-N 3.12Å; N135-Q137 VanDerWaalsContact C-N 3.3Å; N135-Q137 PolarHBondContact O-N 3.37Å
136K58.4Low62Low177 Ų177126 Ų12677%0.7765%0.648SS**THydrogen-bonded Turntrans-76.6-13.3178.6-126.4175.2-175.8-179.20114.5K132 F134K132-K136 PolarHBondContact O-N 2.98Å; F134-K136 PolarHBondContact O-N 3.42Å
137Q56.1Low59.7Low160 Ų160130 Ų13075%0.74867%0.665SS**THydrogen-bonded Turntrans-90.3-9.1177.5-69.8-161.5-28.800113.4F134 N135F134-Q137 PolarHBondContact O-N 3.14Å; N135-Q137 VanDerWaalsContact C-N 3.3Å; N135-Q137 PolarHBondContact O-N 3.37Å
138H51.1Low57.5Low151 Ų151135.4 Ų135.470%0.69968%0.682SS**SBendtrans-102.4-6.6-176.9-134.7-66.4000115.3
139D48.4Very low55.3Low145 Ų145137.1 Ų137.178%0.77569%0.694SS**SBendtrans-97.58.1178.6-72.2-26.3000114.1
140T49Very low53.3Low127 Ų127138.5 Ų138.578%0.77971%0.705SS**SBendtrans-107.415.7-18021.20000115.1
141S42.8Very low51.5Low88 Ų88135.8 Ų135.862%0.61571%0.707SS**SBendtrans-117.7128.8163.467.10000108.8
142N41.1Very low50Low158 Ų158137.3 Ų137.385%0.84572%0.719SS**SBendtrans78.476.2-176.5-85.3-7.5000117.5
143N42.9Very low48.5Very low149 Ų149138.2 Ų138.280%0.79773%0.731SS**  trans-158.358.9134.9-112-13.5000111.7N145N143-N145 PolarHBondContact O-N 3.26Å
144N45.7Very low47.2Very low160 Ų160145.1 Ų145.186%0.85675%0.753SS**  trans-81.892152.6-82.1-12.8000106.3
145N43.4Very low46.5Very low135 Ų135144.5 Ų144.572%0.72276%0.763SS**  trans158.3100.2159.1-83.2-17000106.6N143N143-N145 PolarHBondContact O-N 3.26Å
146N50.7Low45.6Very low147 Ų147147.2 Ų147.279%0.78678%0.777SS**  trans17682.8145.9-82.2-21.8000109.1
147N40.6Very low44.7Very low159 Ų159142.8 Ų142.885%0.8578%0.782SS**  32.295122.9-139.614.9000116.2
148Y40.6Very low43.9Very low232 Ų232140.4 Ų140.491%0.9178%0.783SS**  trans-113.1118.7152.2-106.7-91.3000108.2
149D43.6Very low43.3Very low121 Ų121140.1 Ų140.165%0.64779%0.785SS**  trans-63.9131.8-175.5-177.7-2.1000113.1T151D149-T151 PolarHBondContact OD1-OG1 2.92Å
150P42.8Very low43.1Very low119 Ų119140.1 Ų140.177%0.77378%0.783SS**  trans-110.985.6172.337.6-24.4000111.8
151T44.3Very low42.6Very low110 Ų110143.1 Ų143.168%0.67579%0.788SS**  trans-152.6138.6165.559.80000106.8D149D149-T151 PolarHBondContact OD1-OG1 2.92Å
152V44.6Very low42.7Very low117 Ų117144.1 Ų144.171%0.70980%0.795SS**  cis-165137.440.4177.60000106.4
153N44.8Very low42.5Very low153 Ų153144.1 Ų144.182%0.81880%0.795SS**  trans173.283.3134-84.1-14.8000111
154K40.3Very low42.3Very low209 Ų209142.8 Ų142.891%0.90979%0.792SS**  trans-84.3119.1155.4-108.8176175.2175.70107.4
155S44.8Very low42.3Very low104 Ų104141.8 Ų141.873%0.72778%0.782SS**  trans-156.4109.6146.151.80000111.1
156N40.5Very low42.5Very low171 Ų171143.2 Ų143.291%0.91479%0.785SS**  trans39.4106.1131.5-56.1-10.5000119.1
157G40.4Very low42.1Very low84 Ų84141.2 Ų141.287%0.86678%0.782SS**  trans-155.491.716000000109.5
158S38.5Very low42.4Very low109 Ų109139.2 Ų139.276%0.76278%0.778SS**  trans-92.2160.7-178.1-176.80000110.4
159I39.1Very low42.7Very low145 Ų145133 Ų13374%0.74477%0.768SS**  trans77.3116.1157.8-23.3-178.6000117.6
160I44.5Very low42.6Very low145 Ų145131.6 Ų131.674%0.74477%0.768SS**  155.9118.8108.5-73.2179.1000110
161H38.3Very low42.9Very low190 Ų190138 Ų13888%0.8878%0.777SS**  trans-61.3134.9162.2-71.1-85.6000111.6
162S45.4Very low43.1Very low110 Ų110139.9 Ų139.977%0.76978%0.783SS**  trans-157.4113.6144.139.10000111
163N36.9Very low42.9Very low157 Ų157144.2 Ų144.284%0.8479%0.792SS**  trans-56.6143.4153.5-77.7-26.4000108.4
164T37.7Very low43Very low121 Ų121145.4 Ų145.474%0.74279%0.793SS**  trans-178.2114.4136-81.70000111.4
165H46.7Very low43Very low139 Ų139142.6 Ų142.664%0.64479%0.788SS**  trans60116.4136.3-67.3-96.6000120.7
166Q46.1Very low42.9Very low165 Ų165149 Ų14977%0.77180%0.798SS**  85.7132.3108.6-74.1176.82.100112.1
167S43.3Very low43Very low105 Ų105147.4 Ų147.473%0.73479%0.789SS**  cis-177.8-177.140.9-1250000109.5
168P46.2Very low43.2Very low117 Ų117149 Ų14976%0.7679%0.785SS**  -131.3175.5-121.936.7-14.9000116
169S47.3Very low43.3Very low101 Ų101149.8 Ų149.871%0.70679%0.785SS**  trans-160.1105.5152.656.30000109.2
170S42.2Very low43.6Very low93 Ų93148.2 Ų148.265%0.6579%0.787SS**  67.98679.177.40000114.6
171W49.4Very low43.8Very low254 Ų254150 Ų15096%0.96279%0.792SS**  trans-122.8132.4147.3-75.279.2000108.7
172N47.4Very low43.6Very low149 Ų149148.4 Ų148.480%0.79779%0.79SS**  trans-78.4150.3-152.2-68.8-40.1000115
173K40.8Very low43.7Very low207 Ų207151 Ų15190%0.980%0.795SS**  trans-72.5120.9167.3-119.2173.2177177.50109.3
174E47.6Very low43.9Very low179 Ų179151.9 Ų151.984%0.83680%0.798SS**  trans-138.6107.6152.2-73.6-168.1172.900110.6
175N40.9Very low44.6Very low149 Ų149152.1 Ų152.180%0.79779%0.793SS**  trans3694.3142.2-63.6-35.2000118.9
176Y42.2Very low44.6Very low238 Ų238149.5 Ų149.593%0.93379%0.789SS**  trans-140.2127.1142.4-111.1-87.6000111.5
177N42Very low45.1Very low138 Ų138147.2 Ų147.274%0.73879%0.791SS**  trans-66.9131-169.4-165.6-1.9000112.7
178P45.3Very low45.6Very low118 Ų118150.4 Ų150.477%0.76680%0.795SS**  trans-95108.5179.234.3-26.7000110.5
179T40.2Very low45.7Very low125 Ų125151.5 Ų151.577%0.76779%0.793SS**  trans-145.580.3163.5-54.60000110.3
180S46Very low45.8Very low112 Ų112149.7 Ų149.778%0.78378%0.78SS**  trans-176.791.814754.90000111.2
181Q47.4Very low46.7Very low184 Ų184149.9 Ų149.986%0.8679%0.788SS**  trans26.7108.5137.2-56.7-172.3-14.400119.1
182N34.9Very low46.8Very low155 Ų155144.9 Ų144.983%0.82977%0.773SS**  trans52.692.9130.6-61.5-20.3000119.1
183L46.5Very low47Very low166 Ų166141.3 Ų141.387%0.86976%0.757SS**  trans-151.884.4138.8-99.6159.3000107I185L183-I185 PolarHBondContact O-N 2.81Å
184L41.3Very low47.2Very low174 Ų174136.4 Ų136.491%0.91175%0.746SS**  trans-65.499.9168.2-132.787.6000106.5P186L184-P186 WeakPolarHBondContact O-CD 3.38Å
185I52.5Low47.8Very low126 Ų126135.8 Ų135.865%0.64675%0.747SS**  trans-73.3120.5167.6-60.1173.3000105.4L183 S187L183-I185 PolarHBondContact O-N 2.81Å; I185-S187 PolarHBondContact O-N 2.95Å
186P47.7Very low48.6Very low84 Ų84138.7 Ų138.755%0.54575%0.747SS.*  trans-55.7132.4174.8-21.832.2000109.6L184 E188 L189L184-P186 WeakPolarHBondContact O-CD 3.38Å; P186-E188 PolarHBondContact O-N 3.38Å; P186-L189 PolarHBondContact O-N 2.91Å
187S55.3Low48.9Very low118 Ų118136.7 Ų136.783%0.82574%0.743SS**G310 helixtrans-57.6-1179.5-55.40000114.9I185I185-S187 PolarHBondContact O-N 2.95Å
188E54.3Low49.5Very low172 Ų172136.7 Ų136.780%0.80474%0.741SS**G310 helixtrans-90.5-5.8-179.2-54-165.8174.300113.9P186P186-E188 PolarHBondContact O-N 3.38Å
189L49.1Very low49.5Very low139 Ų139140.1 Ų140.173%0.72874%0.744SS**G310 helixtrans-104.420.6177-72167.7000113.6P186 A191P186-L189 PolarHBondContact O-N 2.91Å; L189-A191 PolarHBondContact O-N 3.33Å
190S48.9Very low50Low63 Ų63140.9 Ų140.944%0.44174%0.743SS.*  trans-64.2120.2170.2-176.50000109.4F192 T193S190-F192 PolarHBondContact O-N 3.41Å; S190-F192 PolarHBondContact OG-N 3.11Å; S190-T193 PolarHBondContact O-N 3Å; S190-T193 VanDerWaalsContact O-N 3.09Å; S190-T193 PolarHBondContact O-OG1 3.22Å
191A61.9Low49.9Very low98 Ų98141.1 Ų141.181%0.8174%0.741SS**THydrogen-bonded Turntrans-63.23.1173.300000113.6L189L189-A191 PolarHBondContact O-N 3.33Å
192F50.1Low49.6Very low149 Ų149138.4 Ų138.465%0.65474%0.737SS**THydrogen-bonded Turntrans-117.79.7178.5-67.1-78.5000113.6S190 P194S190-F192 PolarHBondContact O-N 3.41Å; S190-F192 PolarHBondContact OG-N 3.11Å; F192-P194 VanDerWaalsContact O-CD 3.24Å; F192-P194 WeakPolarHBondContact O-CD 3.44Å
193T52Low50.1Low74 Ų74139.4 Ų139.445%0.45474%0.741SS.*  trans-70.9117.1171-13.60000108.3S190 I195S190-T193 PolarHBondContact O-N 3Å; S190-T193 VanDerWaalsContact O-N 3.09Å; S190-T193 PolarHBondContact O-OG1 3.22Å; T193-I195 PolarHBondContact O-N 3.33Å
194P45.6Very low49.9Very low103 Ų103139.6 Ų139.667%0.66974%0.737SS**  trans-56.6136.6174.5-1930.8000108.6F192 R196F192-P194 VanDerWaalsContact O-CD 3.24Å; F192-P194 WeakPolarHBondContact O-CD 3.44Å; P194-R196 VanDerWaalsContact C-N 3.25Å; P194-R196 PolarHBondContact O-N 2.81Å
195I59.1Low49.8Very low167 Ų167137.4 Ų137.486%0.85673%0.726SS**  trans-58.492.9173.8-57.5171.6000107.1T193 K197T193-I195 PolarHBondContact O-N 3.33Å; I195-K197 PolarHBondContact O-N 2.73Å
196R57.6Low49.4Very low210 Ų210140.9 Ų140.979%0.79274%0.737SS**  trans-69.3117.4167.7-66.1-172.7-160.4179.46.7104.9P194 I198P194-R196 VanDerWaalsContact C-N 3.25Å; P194-R196 PolarHBondContact O-N 2.81Å; R196-I198 PolarHBondContact O-N 2.72Å
197K50Low49Very low196 Ų196144.9 Ų144.985%0.85275%0.754SS**  trans-55.7103.5170-66.2-177.4177.8-177.20107.2I195 K199I195-K197 PolarHBondContact O-N 2.73Å; K197-K199 PolarHBondContact O-N 3.22Å; K197-K199 VanDerWaalsContact O-N 3.13Å
198I53Low48.4Very low137 Ų137147.7 Ų147.770%0.70375%0.754SS**  trans-67.4110.5168.9-55.8177000104.7R196 D200R196-I198 PolarHBondContact O-N 2.72Å; I198-D200 WeakPolarHBondContact CG2-OD1 3.33Å; I198-D200 PolarHBondContact O-N 3.12Å
199K46.6Very low47.6Very low190 Ų190146.6 Ų146.683%0.82675%0.747SS**  trans-77.495.7166.2-88.9-179.1172.4-178.90105.9K197 T201K197-K199 PolarHBondContact O-N 3.22Å; K197-K199 VanDerWaalsContact O-N 3.13Å; K199-T201 PolarHBondContact O-N 3.49Å
200D49.8Very low47Very low141 Ų141147.9 Ų147.975%0.75475%0.754SS**  trans-73.692.3170-69.6-35.7000108.9I198I198-D200 WeakPolarHBondContact CG2-OD1 3.33Å; I198-D200 PolarHBondContact O-N 3.12Å
201T45Very low46.8Very low118 Ų118153.6 Ų153.672%0.72477%0.767SS**  trans-82.1128.115149.60000106.8K199K199-T201 PolarHBondContact O-N 3.49Å
202T40.3Very low45.7Very low127 Ų127157.3 Ų157.378%0.77977%0.768SS**  trans75.489.2171.375.40000116.8
203L45.2Very low45.2Very low176 Ų176155.6 Ų155.692%0.92177%0.774SS**  -167.8112.9127.8-104.8152.7000110.7
204H42.7Very low45.2Very low170 Ų170157.5 Ų157.579%0.78779%0.786SS**  trans-58.5153.9164.4-120.6-84.3000110
205D38.7Very low45.1Very low128 Ų128158.4 Ų158.468%0.68479%0.792SS**  trans82.479.6169.7-64.3-16.5000118.7
206F45Very low45.3Very low199 Ų199157.7 Ų157.787%0.87379%0.788SS**  trans-15068143.1-82.5-69.8000111Q208F206-Q208 PolarHBondContact O-N 3.18Å
207N38.8Very low44.8Very low167 Ų167153.1 Ų153.189%0.89379%0.786SS**  trans-79.780.6161.5-84.7-24.6000109.4
208Q42.1Very low45Very low177 Ų177151 Ų15183%0.82778%0.783SS**  trans178.572.1157.3-109.117434.600112.2F206F206-Q208 PolarHBondContact O-N 3.18Å
209F38.7Very low45.1Very low150 Ų150149.7 Ų149.766%0.65878%0.784SS**  trans-144.684.6159.1-83.5-70.4000109.9Y211F209-Y211 HydrophobicContact CB-CD2 3.92Å; F209-Y211 HydrophobicContact CB-CE2 3.79Å; F209-Y211 HydrophobicContact CD1-CD2 4.27Å; F209-Y211 AromaticContact CD1-CE2 3.4Å; F209-Y211 HydrophobicContact CD1-CE2 3.4Å; F209-Y211 AromaticContact CD1-CZ 3.82Å; F209-Y211 HydrophobicContact CE1-CE2 4.27Å; F209-Y211 HydrophobicContact CG-CD2 4.46Å; F209-Y211 AromaticContact CG-CE2 3.83Å; F209-Y211 HydrophobicContact CG-CE2 3.83Å; F209-Y211 PolarHBondContact O-N 3.19Å; F209-Y211 VanDerWaalsContact O-N 3.15Å
210N35.9Very low45.1Very low165 Ų165150.1 Ų150.188%0.88279%0.786SS**  trans-7789.4166.8-109.1-19000108.6
211Y43.9Very low45Very low183 Ų183150.5 Ų150.572%0.71879%0.786SS**  trans-92.186.7164.2-73.2-78.1000108.9F209 S213F209-Y211 HydrophobicContact CB-CD2 3.92Å; F209-Y211 HydrophobicContact CB-CE2 3.79Å; F209-Y211 HydrophobicContact CD1-CD2 4.27Å; F209-Y211 AromaticContact CD1-CE2 3.4Å; F209-Y211 HydrophobicContact CD1-CE2 3.4Å; F209-Y211 AromaticContact CD1-CZ 3.82Å; F209-Y211 HydrophobicContact CE1-CE2 4.27Å; F209-Y211 HydrophobicContact CG-CD2 4.46Å; F209-Y211 AromaticContact CG-CE2 3.83Å; F209-Y211 HydrophobicContact CG-CE2 3.83Å; F209-Y211 PolarHBondContact O-N 3.19Å; F209-Y211 VanDerWaalsContact O-N 3.15Å; Y211-S213 PolarHBondContact O-N 3.18Å; Y211-S213 VanDerWaalsContact O-N 3.15Å
212Q40.4Very low45.1Very low177 Ų177152.9 Ų152.983%0.82779%0.789SS**  trans-75.595.6160.9-86.4-178.5-16.200108.1T214Q212-T214 PolarHBondContact O-N 3.19Å
213S39.8Very low45.2Very low112 Ų112153.9 Ų153.978%0.78379%0.79SS**  trans-81.196.9165.9-62.10000107.9Y211Y211-S213 PolarHBondContact O-N 3.18Å; Y211-S213 VanDerWaalsContact O-N 3.15Å
214T50.8Low45Very low114 Ų114152.7 Ų152.770%0.69978%0.784SS**PPolyproline II helixtrans-72.4133.4165.234.50000109.1Q212 I216Q212-T214 PolarHBondContact O-N 3.19Å; T214-I216 PolarHBondContact O-N 3.08Å
215P44.5Very low44.9Very low122 Ų122150.2 Ų150.279%0.79279%0.786SS**PPolyproline II helixtrans-67124.2175.517.2-15.5000109.2P217P215-P217 WeakPolarHBondContact O-CD 3.41Å
216I63.1Low45.1Very low152 Ų152146.9 Ų146.978%0.77978%0.782SS**PPolyproline II helixtrans-74.7117.7171.9-62.5170.7000107.3T214 L218T214-I216 PolarHBondContact O-N 3.08Å; I216-L218 PolarHBondContact O-N 3.04Å
217P46.8Very low44.8Very low115 Ų115146.8 Ų146.875%0.74778%0.777SS**PPolyproline II helixtrans-70.1121.3171.227.7-29.5000108.7P215P215-P217 WeakPolarHBondContact O-CD 3.41Å
218L53.5Low45.3Very low150 Ų150149.8 Ų149.879%0.78578%0.778SS**PPolyproline II helixtrans-65.2142.4170.3-74.1164.6000109.2I216 F220I216-L218 PolarHBondContact O-N 3.04Å; L218-F220 PolarHBondContact O-N 2.98Å
219P55.7Low45.3Very low110 Ų110149 Ų14971%0.71477%0.774SS**PPolyproline II helixtrans-59.1130.6175.224.1-31.5000109.6I221P219-I221 PolarHBondContact O-N 3.16Å; P219-I221 VanDerWaalsContact O-N 3.08Å
220F46.6Very low45.8Very low200 Ų200149.4 Ų149.488%0.87778%0.78SS**  trans-56.3114.7168.6-82-91.9000108.1L218 Q222L218-F220 PolarHBondContact O-N 2.98Å; F220-Q222 VanDerWaalsContact C-N 3.33Å; F220-Q222 PolarHBondContact O-N 3.37Å
221I47.8Very low46Very low149 Ų149148 Ų14876%0.76477%0.772SS**  trans-65.9100.2167.6-58.7175000105.6P219 N223P219-I221 PolarHBondContact O-N 3.16Å; P219-I221 VanDerWaalsContact O-N 3.08Å; I221-N223 PolarHBondContact O-N 3.33Å
222Q46Very low46.1Very low168 Ų168146.9 Ų146.979%0.78577%0.773SS**  trans-64.2117.1161.9-85.2176.9-48.200106.3F220 D224F220-Q222 VanDerWaalsContact C-N 3.33Å; F220-Q222 PolarHBondContact O-N 3.37Å; Q222-D224 PolarHBondContact O-N 3.3Å
223N43.3Very low45.9Very low148 Ų148144 Ų14479%0.79177%0.773SS**  trans-6781.5170.7-67.8-21.3000108.3I221 S225I221-N223 PolarHBondContact O-N 3.33Å; N223-S225 PolarHBondContact O-N 2.89Å; N223-S225 VanDerWaalsContact O-N 3.13Å
224D41.3Very low45.9Very low150 Ų150144.4 Ų144.480%0.80278%0.775SS**  trans-74.796.9162.6-98.4-17.9000107.4Q222 G226Q222-D224 PolarHBondContact O-N 3.3Å; D224-G226 PolarHBondContact O-N 3.13Å
225S40.4Very low45.1Very low118 Ų118144 Ų14483%0.82578%0.778SS**  trans-67.177.6164.660.80000108.9N223N223-S225 PolarHBondContact O-N 2.89Å; N223-S225 VanDerWaalsContact O-N 3.13Å
226G43.2Very low44.9Very low58 Ų58146.1 Ų146.160%0.59878%0.781SS**  trans-98.297.8175.300000111.5D224D224-G226 PolarHBondContact O-N 3.13Å
227Y38.3Very low43.6Very low197 Ų197146.5 Ų146.577%0.77378%0.784SS**  trans30.4108.4143.1-75.2-95.7000119
228Y48.6Very low43.4Very low231 Ų231148.9 Ų148.991%0.90679%0.789SS**  trans-146.395.1133.1-82.7-75.7000108.8M230Y228-M230 PolarHBondContact O-N 3.01Å
229E42.2Very low42.4Very low160 Ų160149.1 Ų149.175%0.74879%0.786SS**  trans-66.1108.5160.3-85.1178.3144.300108.2
230M50.1Low42.3Very low158 Ų158153.2 Ų153.278%0.77879%0.792SS**  trans-95102.3159.4-107.5-169.2-88.700108.3Y228 H232Y228-M230 PolarHBondContact O-N 3.01Å; M230-H232 PolarHBondContact O-N 3.19Å; M230-H232 VanDerWaalsContact O-N 3.16Å
231N39.1Very low42.2Very low136 Ų136150 Ų15073%0.72778%0.784SS**  trans-61.1107.6170-74.3-45.7000110.1
232H47.3Very low42.2Very low160 Ų160148.9 Ų148.974%0.74179%0.786SS**  trans-110.1102.4157.9-70.6-60.7000108.6M230 S234M230-H232 PolarHBondContact O-N 3.19Å; M230-H232 VanDerWaalsContact O-N 3.16Å; H232-S234 PolarHBondContact O-N 3.14Å
233S35.7Very low42.3Very low116 Ų116146.7 Ų146.781%0.81178%0.784SS**  trans-50.6115.5170.7-50.10000110.7
234S39.2Very low42Very low120 Ų120148.8 Ų148.884%0.83979%0.789SS**  trans-151.7106153.7-80.60000109.3H232H232-S234 PolarHBondContact O-N 3.14Å
235S34.4Very low42Very low107 Ų107149.4 Ų149.475%0.74879%0.791SS**  trans-30124166176.20000114
236L40.3Very low41.7Very low165 Ų165154.7 Ų154.786%0.86479%0.793SS**  -172120.8124.1-111.3123.6000110.1I238L236-I238 PolarHBondContact O-N 3.15Å
237L36.6Very low41.4Very low161 Ų161156.1 Ų156.184%0.84380%0.8SS**  trans-57.7122175.1-77.189.5000111.5
238I41.6Very low41.8Very low164 Ų164152.5 Ų152.584%0.84180%0.798SS**  trans-148110.4136-56.9-172.7000108.7L236L236-I238 PolarHBondContact O-N 3.15Å
239H33.7Very low41.3Very low156 Ų156151.7 Ų151.772%0.72280%0.795SS**  trans-86.1114.3177.1174.6-56.3000110.5
240K51.6Low41.5Very low195 Ų195152.5 Ų152.585%0.84880%0.801SS**  trans-148.2125153.6-72.7-163.1177.7177.30111.6
241N45.2Very low41.1Very low134 Ų134149.4 Ų149.472%0.71780%0.795SS**PPolyproline II helixtrans-53.8146.6-179.4-78.5-43.4000114.7
242P47.8Very low41.3Very low124 Ų124149.8 Ų149.881%0.80580%0.797SS**PPolyproline II helixtrans-86.2120.4165.332.3-27.6000110.9
243V47.7Very low40.9Very low123 Ų123149.3 Ų149.375%0.74580%0.795SS**PPolyproline II helixtrans-79.7118.7168.2174.30000108.5L245V243-L245 HydrophobicContact CG1-CG 4.41Å; V243-L245 PolarHBondContact O-N 3.31Å
244H37.8Very low41Very low192 Ų192152.6 Ų152.689%0.88979%0.791SS**  trans-68.3113.5167.8-110.7-77.9000109.6
245L40.6Very low40.9Very low162 Ų162153.9 Ų153.985%0.84879%0.787SS**  trans-100.8112.9166.1-73.7173.1000109.7V243V243-L245 HydrophobicContact CG1-CG 4.41Å; V243-L245 PolarHBondContact O-N 3.31Å
246R34.9Very low40.8Very low229 Ų229159.3 Ų159.386%0.86479%0.792SS**  trans-82.5116.7169.3-174.2-178-170.5-174.82.8107.8
247A36.5Very low40.9Very low89 Ų89157.2 Ų157.274%0.73679%0.787SS**  trans-85.4119.2173.100000110
248T46.9Very low41.1Very low121 Ų121155.3 Ų155.374%0.74278%0.784SS**  trans-110.1114.9162.738.10000108.2M250T248-M250 PolarHBondContact O-N 2.92Å
249Y37.4Very low41.1Very low214 Ų214157 Ų15784%0.83979%0.788SS**  trans-61.7124.8170.7-87.3-103.1000109.9
250M46.9Very low41.2Very low176 Ų176155.2 Ų155.287%0.86779%0.794SS**  trans-143.4132.9152.9-81-67.8100.600108.2T248T248-M250 PolarHBondContact O-N 2.92Å
251S41.7Very low40.8Very low94 Ų94151.3 Ų151.366%0.65779%0.791SS**  trans-64.3138-178.948.80000112.8
252N43.6Very low40.3Very low144 Ų144150.5 Ų150.577%0.7779%0.794SS**  155.3109129.2-77.3-6.9000110.5
253E39.6Very low39.9Very low150 Ų150149.6 Ų149.670%0.70179%0.791SS**  41.1121.1128.4-80-168155.300121.7
254Y37.2Very low39.4Very low185 Ų185153 Ų15373%0.72580%0.799SS**  trans99.9119.6136.4-73.5-54.5000122.6
255I37.3Very low39.4Very low146 Ų146149.7 Ų149.775%0.74979%0.792SS**  trans95.4111.8137.4-60.8155.9000118.1
256Y32.1Very low39.3Very low221 Ų221149.7 Ų149.787%0.86779%0.793SS**  trans-86.4133166.5-113.7-97.6000110.3
257T43.3Very low39.4Very low121 Ų121143.5 Ų143.574%0.74279%0.785SS**  trans-138.9125.9153.4480000108.8
258P40.5Very low39.8Very low122 Ų122147.1 Ų147.179%0.79279%0.79SS**PPolyproline II helixtrans-94.4117.9170.231.7-23.8000109.6
259Q40.4Very low39.5Very low199 Ų199148 Ų14893%0.9379%0.789SS**PPolyproline II helixtrans-80.5123.8166.8-94.5-175.6-23.600110.3
260S36.7Very low39.5Very low119 Ų119142.8 Ų142.883%0.83278%0.784SS**PPolyproline II helixtrans-83.1137.5167.345.90000111.3
261S42.2Very low39.5Very low113 Ų113144 Ų14479%0.7978%0.784SS**  trans-153.4104.2152.947.30000106.1
262C36.1Very low39.5Very low116 Ų116147.4 Ų147.478%0.78479%0.794SS**  70.5101.588.2-160.70000113.4
263S38Very low39.2Very low105 Ų105148.8 Ų148.873%0.73480%0.796SS**  trans56.6112.3135.8-49.10000120.1
264Q37.8Very low39Very low195 Ų195147.4 Ų147.491%0.91180%0.798SS**  -158.7121.1125.3-111166.911.600111.4
265T37.2Very low39.3Very low123 Ų123148.9 Ų148.976%0.75581%0.808SS**  trans-60.2142.1170.847.60000111.7
266N39Very low39.5Very low162 Ų162149.9 Ų149.987%0.86681%0.81SS**  trans-160.8110.7139.8-88.3-31.6000110.1
267S37.3Very low39.9Very low99 Ų99146.1 Ų146.169%0.69280%0.804SS**  trans-73.2129.2168.1-179.60000109.3
268I44.7Very low39.7Very low164 Ų164148.8 Ų148.884%0.84181%0.812SS**  trans-130.8101.6161.2-60.6-179.3000107.5
269I40.8Very low39.8Very low139 Ų139150 Ų15071%0.71381%0.812SS**  trans-75.6153.4164.6-65.7169.4000108.1
270S37.2Very low39.6Very low105 Ų105148.1 Ų148.173%0.73480%0.802SS**  trans100.5102160.8-49.90000117.5
271K47.3Very low39.8Very low201 Ų201149.8 Ų149.887%0.87480%0.802SS**  trans168.5120.8148.3-94.7164.1-170.6-174.90105.4
272L41.3Very low39.7Very low167 Ų167153.4 Ų153.487%0.87481%0.807SS**  cis-157.6144.426.2-83.6121.1000108.8
273Q37.4Very low40Very low173 Ų173155 Ų15581%0.80881%0.805SS**  trans-96.5155.2168.8-117.3175.2-34.300109.8
274T34.7Very low40.1Very low120 Ų120157.9 Ų157.974%0.73681%0.807SS**  trans69.7114.114853.30000120.3
275K44.4Very low40.1Very low217 Ų217153.8 Ų153.894%0.94380%0.796SS**  -150.7119.6128.8-109.4177.4-178.6-174.60110.8
276E42.1Very low40.1Very low167 Ų167155.8 Ų155.878%0.7880%0.802SS**  trans-77159.8176.5-70.9171.4115.300113.2
277N39.5Very low40.2Very low142 Ų142156.9 Ų156.976%0.75980%0.801SS**  trans49.3111139.5-73.3-34000119.9
278I39.9Very low40.1Very low176 Ų176160.2 Ų160.290%0.90381%0.806SS**  trans-137.5132.9134.6-61.8-174000109.6
279L41.6Very low39.9Very low149 Ų149158.7 Ų158.778%0.7881%0.805SS**  trans-73.4165.4-172.6-157.381.5000114.1
280E37.3Very low40.2Very low158 Ų158158.2 Ų158.274%0.73881%0.808SS**  trans-35.1151.2170.2-58.2169153.400118.8
281N40.1Very low40.8Very low155 Ų155162.6 Ų162.683%0.82981%0.814SS**  trans153.6122.8147.7-78.7-17.9000105.9
282E39.2Very low40.9Very low189 Ų189160.8 Ų160.888%0.88381%0.809SS**  -170.2138.260.8-122.3167.8-178.200109.7
283I43.4Very low41.3Very low148 Ų148160 Ų16076%0.75981%0.806SS**  trans-75.2136.1164.8-59.4167.9000107
284H40.8Very low42.1Very low166 Ų166156.3 Ų156.377%0.76979%0.79SS**  trans176.9109133-90.618000111.7
285T37.5Very low43Very low109 Ų109157 Ų15767%0.66979%0.786SS**  trans32.9118.3130.856.80000118.2
286N37.5Very low43.6Very low166 Ų166156.6 Ų156.689%0.88878%0.779SS**  -162.2138.5122.1-89.3-35.6000112.5E288N286-E288 PolarHBondContact O-N 3.05Å
287H40.8Very low44.5Very low184 Ų184158.1 Ų158.185%0.85278%0.778SS**  trans-51.4119.2-172.3-101.3-90.1000115.8
288E35.4Very low45.8Very low170 Ų170155.6 Ų155.679%0.79477%0.769SS**  trans-19.9114135.9-164.6164-158.600115.8N286N286-E288 PolarHBondContact O-N 3.05Å
289T40.8Very low46.9Very low132 Ų132158.2 Ų158.281%0.8177%0.77SS**  trans-164.466.2141.135.90000109.2K291T289-K291 VanDerWaalsContact C-N 3.35Å; T289-K291 PolarHBondContact O-N 3.24Å
290T46Very low47.5Very low129 Ų129159 Ų15979%0.79177%0.774SS**  trans-7690166.232.90000109E292T290-E292 VanDerWaalsContact C-N 3.28Å; T290-E292 PolarHBondContact O-N 2.96Å
291K49.9Very low47.8Very low197 Ų197162.6 Ų162.686%0.85780%0.798SS**  trans-62.195.7157.6-76178.7178174.30107.2T289 N293T289-K291 VanDerWaalsContact C-N 3.35Å; T289-K291 PolarHBondContact O-N 3.24Å; K291-N293 PolarHBondContact O-N 3.35Å
292E48.7Very low48.2Very low163 Ų163163 Ų16376%0.76280%0.797SS**  trans-63.585.1168.4-72.5-170164.900109.4T290 I294T290-E292 VanDerWaalsContact C-N 3.28Å; T290-E292 PolarHBondContact O-N 2.96Å; E292-I294 HydrophobicContact CB-CG1 4.34Å; E292-I294 PolarHBondContact O-N 3.15Å
293N50.4Low48.7Very low151 Ų151161.6 Ų161.681%0.80779%0.792SS**  trans-77.281.6169-153.41.5000106.8K291 M295K291-N293 PolarHBondContact O-N 3.35Å; N293-M295 PolarHBondContact O-N 2.95Å
294I54Low49Very low94 Ų94162.4 Ų162.448%0.48279%0.794SS.*  trans-68.982.5174.3-56.4175.3000107.5E292 W296E292-I294 HydrophobicContact CB-CG1 4.34Å; E292-I294 PolarHBondContact O-N 3.15Å; I294-W296 HydrophobicContact CG2-CG 4.46Å; I294-W296 PolarHBondContact O-N 2.76Å
295M53.5Low49.5Very low134 Ų134162.2 Ų162.266%0.6680%0.795SS**  trans-74.689.7173.3-175.8174.461.300108.4N293 R297N293-M295 PolarHBondContact O-N 2.95Å; M295-R297 PolarHBondContact O-N 3.2Å
296W57.7Low50.2Low210 Ų210165.5 Ų165.580%0.79580%0.803SS**  trans-62.4102.2166.3-7396.9000109.4I294 P298I294-W296 HydrophobicContact CG2-CG 4.46Å; I294-W296 PolarHBondContact O-N 2.76Å; W296-P298 WeakPolarHBondContact O-CD 3.19Å
297R61.6Low51.1Low198 Ų198165.5 Ų165.575%0.74780%0.798SS**  trans-73.8120.8165.1-74.8-170.5179.3-137.82.4108.6M295M295-R297 PolarHBondContact O-N 3.2Å
298P66.1Low51.8Low90 Ų90164.1 Ų164.158%0.58479%0.794SS**  trans-71.4132.9164.9-4.522000108.2W296 L300W296-P298 WeakPolarHBondContact O-CD 3.19Å; P298-L300 PolarHBondContact O-N 3.22Å
299Y63.7Low53.1Low231 Ų231163.7 Ų163.791%0.90679%0.794SS**  trans-43.4129.9170.7-67.9-90.9000111.1
300L53.6Low54.1Low165 Ų165166.3 Ų166.386%0.86479%0.792SS**  trans-76.8124.1167.4-77.1158.3000107.5P298P298-L300 PolarHBondContact O-N 3.22Å
301D44.1Very low54.8Low234 Ų234169.7 Ų169.7100%1.25179%0.792SS**  trans-75.10146.2-66.8-38.7000108.7

Retrieved 301 of 301 residues in 179.7 ms (Link to these results)