A0A077ZEZ4_TRITR Loading...

Putative polyadenylation factor i complex subunit pfs2

AlphaFold DB , UniProt , Accession A0A077ZEZ4, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 418 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
1M34.9Very low41.8Very low241 Ų241168.7 Ų168.7100%1.18782%0.82SS**  0146.70-81.8-176.7150.200108.3
2S38.6Very low42.4Very low104 Ų104164.2 Ų164.273%0.72781%0.81SS**  trans67.181.2-177.362.80000117.6D4S2-D4 PolarHBondContact O-N 3.1Å
3S41.2Very low42.7Very low111 Ų111169.8 Ų169.878%0.77682%0.817SS**  trans-82.881.8157.850.50000109.8F5S3-F5 VanDerWaalsContact C-N 3.3Å; S3-F5 PolarHBondContact O-N 3.24Å
4D43.9Very low43.2Very low126 Ų126165.2 Ų165.267%0.67480%0.799SS**  trans-9268.1171.2-65.9-29.6000109.1S2 F6S2-D4 PolarHBondContact O-N 3.1Å; D4-F6 PolarHBondContact O-N 3.34Å; D4-F6 VanDerWaalsContact O-N 3.09Å
5F40.9Very low43.5Very low182 Ų182165.7 Ų165.780%0.79880%0.795SS**  trans-73.397.9163.8-105.7-88.3000107.3S3 F7S3-F5 VanDerWaalsContact C-N 3.3Å; S3-F5 PolarHBondContact O-N 3.24Å; F5-F7 VanDerWaalsContact C-N 3.33Å; F5-F7 PolarHBondContact O-N 3.18Å
6F42.9Very low44.2Very low191 Ų191163 Ų16384%0.83880%0.796SS**  trans-54.194.1167.3-83.3-97.5000109.6D4 S8D4-F6 PolarHBondContact O-N 3.34Å; D4-F6 VanDerWaalsContact O-N 3.09Å; F6-S8 PolarHBondContact O-N 3.07Å
7F39.9Very low44.8Very low189 Ų189155.8 Ų155.883%0.82977%0.773SS**  trans-7090.9160.9-81-82.5000107.4F5 K9F5-F7 VanDerWaalsContact C-N 3.33Å; F5-F7 PolarHBondContact O-N 3.18Å; F7-K9 PolarHBondContact O-N 3.29Å
8S42.1Very low45.5Very low87 Ų87152.8 Ų152.861%0.60876%0.761SS**  trans-44.7122160.6-175.80000107.9F6 F10F6-S8 PolarHBondContact O-N 3.07Å; S8-F10 PolarHBondContact O-N 3.43Å
9K51.9Low46Very low199 Ų199150.7 Ų150.787%0.86575%0.752SS**  trans-57.289.3170.8-83.4175.7174.8175.30107.4F7 W11F7-K9 PolarHBondContact O-N 3.29Å; K9-W11 PolarHBondContact O-N 3.41Å
10F42.3Very low46.4Very low179 Ų179147.9 Ų147.979%0.78574%0.739SS**  trans-60.9100.6157.8-80.3-83.8000105S8 T12S8-F10 PolarHBondContact O-N 3.43Å; F10-T12 PolarHBondContact O-N 3.33Å
11W41.2Very low46.8Very low247 Ų247146.1 Ų146.194%0.93673%0.732SS**  trans-57.288.1157.2-126.726.7000104.7K9 R13K9-W11 PolarHBondContact O-N 3.41Å; W11-R13 PolarHBondContact O-N 3.2Å
12T48.6Very low48Very low114 Ų114140.3 Ų140.370%0.69971%0.705SS**  trans-57.8100.5167.831.30000104.6F10 N14F10-T12 PolarHBondContact O-N 3.33Å; T12-N14 VanDerWaalsContact C-N 3.34Å; T12-N14 PolarHBondContact O-N 2.89Å
13R46.8Very low48.7Very low237 Ų237143.3 Ų143.389%0.89471%0.706SS**  trans-46.7108.4164.7-83.3169.177.7141.8-2.1105W11 K15W11-R13 PolarHBondContact O-N 3.2Å; R13-K15 PolarHBondContact O-N 3.03Å
14N49.5Very low49.2Very low106 Ų106147.4 Ų147.457%0.56771%0.706SS**  trans-44.7122.3167.7-67.3-8.2000105.5T12 D18T12-N14 VanDerWaalsContact C-N 3.34Å; T12-N14 PolarHBondContact O-N 2.89Å; N14-D18 HydrophobicContact CB-CB 4.38Å
15K48Very low49.4Very low172 Ų172145.4 Ų145.475%0.74870%0.701SS**  trans-53141.7175.9-70.8-173.3179.4-179.30106.2R13 G17 D18R13-K15 PolarHBondContact O-N 3.03Å; K15-G17 PolarHBondContact O-N 3.32Å; K15-D18 PolarHBondContact O-N 3.03Å
16P54.3Low49.9Very low123 Ų123139.6 Ų139.680%0.79969%0.687SS**THydrogen-bonded Turntrans-58.5-0.5-174.420.7-32000115.3
17G54.6Low50.2Low40 Ų40135.8 Ų135.841%0.41268%0.681SS.*THydrogen-bonded Turntrans-87.6-26171.900000115.6K15 L19 L20K15-G17 PolarHBondContact O-N 3.32Å; G17-L19 PolarHBondContact O-N 3.46Å; G17-L20 PolarHBondContact O-N 3.09Å; G17-L20 VanDerWaalsContact O-N 3.12Å
18D56.6Low50.7Low103 Ų103134.6 Ų134.655%0.55168%0.678SS**THydrogen-bonded Turntrans-69.5-19.1-173.6-99.6-0.6000113.6N14 K15N14-D18 HydrophobicContact CB-CB 4.38Å; K15-D18 PolarHBondContact O-N 3.03Å
19L55.3Low51.4Low112 Ų112137 Ų13759%0.58668%0.684SS**THydrogen-bonded Turntrans-88.6-9.5177-70.2170.2000113.2G17G17-L19 PolarHBondContact O-N 3.46Å
20L54.1Low51.3Low94 Ų94137.7 Ų137.749%0.49268%0.682SS.*THydrogen-bonded Turntrans-83.6-29-179.5-66.9175.5000111.9G17 D22 F23 Y24G17-L20 PolarHBondContact O-N 3.09Å; G17-L20 VanDerWaalsContact O-N 3.12Å; L20-D22 VanDerWaalsContact C-N 3.3Å; L20-D22 PolarHBondContact O-N 3.15Å; L20-F23 PolarHBondContact O-N 3.22Å; L20-F23 VanDerWaalsContact O-N 3.12Å; L20-Y24 HydrophobicContact CB-CE2 4.42Å; L20-Y24 WeakPolarHBondContact O-CD2 3.3Å; L20-Y24 PolarHBondContact O-N 2.91Å
21D55.3Low51.5Low112 Ų112137.8 Ų137.860%0.59968%0.679SS**Hα-helixtrans-66.8-31.7178.9-74.6-14.8000112.5F23 S25D21-F23 VanDerWaalsContact C-N 3.31Å; D21-F23 PolarHBondContact O-N 3.24Å; D21-S25 PolarHBondContact O-N 3.13Å; D21-S25 PolarHBondContact O-OG 3.21Å
22D60Low52.3Low118 Ų118131.1 Ų131.163%0.63166%0.661SS**Hα-helixtrans-71.4-24.4173.7-75.5-11.7000112.9L20 S25L20-D22 VanDerWaalsContact C-N 3.3Å; L20-D22 PolarHBondContact O-N 3.15Å; D22-S25 WeakPolarHBondContact CA-OG 3.46Å; D22-S25 PolarHBondContact O-OG 3.28Å
23F53.2Low52.6Low167 Ų167133.9 Ų133.973%0.73267%0.666SS**Hα-helixtrans-79.4-30.9177.5-104.1-84.8000112.8L20 D21 S25L20-F23 PolarHBondContact O-N 3.22Å; L20-F23 VanDerWaalsContact O-N 3.12Å; D21-F23 VanDerWaalsContact C-N 3.31Å; D21-F23 PolarHBondContact O-N 3.24Å; F23-S25 VanDerWaalsContact C-N 3.32Å
24Y51Low52.9Low198 Ų198129 Ų12978%0.77666%0.657SS**Hα-helixtrans-79.8-14.6177.2-70.2-69.8000113.7L20L20-Y24 HydrophobicContact CB-CE2 4.42Å; L20-Y24 WeakPolarHBondContact O-CD2 3.3Å; L20-Y24 PolarHBondContact O-N 2.91Å
25S49.7Very low52.9Low83 Ų83129.5 Ų129.558%0.5866%0.664SS**THydrogen-bonded Turntrans-94.8-0.7175.848.70000113.6D21 D22 F23D21-S25 PolarHBondContact O-N 3.13Å; D21-S25 PolarHBondContact O-OG 3.21Å; D22-S25 WeakPolarHBondContact CA-OG 3.46Å; D22-S25 PolarHBondContact O-OG 3.28Å; F23-S25 VanDerWaalsContact C-N 3.32Å
26A51Low53.1Low60 Ų60130.5 Ų130.550%0.49666%0.664SS.*SBendtrans-60.7122.8172.400000109.5Q28A26-Q28 PolarHBondContact O-N 3.26Å; A26-Q28 VanDerWaalsContact O-N 3.09Å
27P48.1Very low53.3Low111 Ų111131.2 Ų131.272%0.72166%0.66SS**  trans-57.3123.5-179.121-30.2000108.1L29P27-L29 VanDerWaalsContact C-N 3.27Å; P27-L29 PolarHBondContact O-N 3.07Å
28Q51.4Low53.4Low164 Ų164133.2 Ų133.277%0.76667%0.668SS**  trans-53.5100.6166.5-83.3169.8-20.400106.6A26 Y30A26-Q28 PolarHBondContact O-N 3.26Å; A26-Q28 VanDerWaalsContact O-N 3.09Å; Q28-Y30 VanDerWaalsContact C-N 3.26Å; Q28-Y30 WeakPolarHBondContact O-CD2 3.47Å; Q28-Y30 PolarHBondContact O-N 3.13Å
29L56.2Low53.1Low137 Ų137137.1 Ų137.172%0.71768%0.683SS**  trans-59102.5166.1-70.1171.6000104.6P27 Y31P27-L29 VanDerWaalsContact C-N 3.27Å; P27-L29 PolarHBondContact O-N 3.07Å; L29-Y31 WeakPolarHBondContact O-CD2 3.37Å; L29-Y31 PolarHBondContact O-N 3.1Å
30Y50.3Low52.9Low214 Ų214138.4 Ų138.484%0.83969%0.689SS**  trans-56.794.1167.4-80.5-92.6000105.9Q28 D32Q28-Y30 VanDerWaalsContact C-N 3.26Å; Q28-Y30 WeakPolarHBondContact O-CD2 3.47Å; Q28-Y30 PolarHBondContact O-N 3.13Å; Y30-D32 PolarHBondContact O-N 3.29Å
31Y46.8Very low52.4Low182 Ų182136.4 Ų136.471%0.71469%0.691SS**  trans-61.6108.5166-84.5-87.3000105.7L29 H33L29-Y31 WeakPolarHBondContact O-CD2 3.37Å; L29-Y31 PolarHBondContact O-N 3.1Å; Y31-H33 VanDerWaalsContact C-N 3.27Å; Y31-H33 PolarHBondContact O-CD2 3.44Å; Y31-H33 PolarHBondContact O-N 2.96Å
32D58.4Low52Low106 Ų106136 Ų13657%0.56770%0.704SS**  trans-66.491.2175.6-163.10000107.8Y30 N34Y30-D32 PolarHBondContact O-N 3.29Å; D32-N34 PolarHBondContact O-N 3.18Å; D32-N34 VanDerWaalsContact OD1-CB 3.28Å; D32-N34 WeakPolarHBondContact OD1-CB 3.19Å; D32-N34 PolarHBondContact OD1-N 2.97Å; D32-N34 PolarHBondContact OD1-ND2 3.31Å
33H54.5Low51.2Low172 Ų172136.9 Ų136.980%0.79671%0.708SS**THydrogen-bonded Turntrans-67.24.5176.2-71.4-65.1000112.6Y31 V35Y31-H33 VanDerWaalsContact C-N 3.27Å; Y31-H33 PolarHBondContact O-CD2 3.44Å; Y31-H33 PolarHBondContact O-N 2.96Å; H33-V35 VanDerWaalsContact C-N 3.3Å; H33-V35 PolarHBondContact O-N 3.28Å
34N52.8Low50.4Low134 Ų134138 Ų13872%0.71771%0.713SS**THydrogen-bonded Turntrans-857.7176.8-60.6-50.5000114.5D32 R36D32-N34 PolarHBondContact O-N 3.18Å; D32-N34 VanDerWaalsContact OD1-CB 3.28Å; D32-N34 WeakPolarHBondContact OD1-CB 3.19Å; D32-N34 PolarHBondContact OD1-N 2.97Å; D32-N34 PolarHBondContact OD1-ND2 3.31Å; N34-R36 PolarHBondContact O-N 3.33Å
35V49.8Very low50Low117 Ų117134.5 Ų134.571%0.70972%0.717SS**  trans-68.180.2160-174.40000107.9H33 L37H33-V35 VanDerWaalsContact C-N 3.3Å; H33-V35 PolarHBondContact O-N 3.28Å; V35-L37 PolarHBondContact O-N 3.18Å
36R52.6Low49.3Very low194 Ų194139.4 Ų139.473%0.73273%0.731SS**  trans-60.4117.9177.7-141.9178.4172.5150.6-3.2106.3N34 S38 E39N34-R36 PolarHBondContact O-N 3.33Å; R36-S38 WeakPolarHBondContact CD-OG 3.33Å; R36-S38 VanDerWaalsContact CG-OG 3.3Å; R36-S38 WeakPolarHBondContact CG-OG 3.48Å; R36-S38 PolarHBondContact O-N 3.13Å; R36-E39 PolarHBondContact O-N 3.06Å
37L57.2Low48.6Very low137 Ų137142.9 Ų142.972%0.71774%0.741SS**G310 helixtrans-56.1-3.6173.7-68168.7000113.5V35 E39 L40V35-L37 PolarHBondContact O-N 3.18Å; L37-E39 PolarHBondContact O-N 3.13Å; L37-L40 HydrophobicContact CD2-CD1 3.74Å; L37-L40 WeakPolarHBondContact O-CB 3.46Å; L37-L40 PolarHBondContact O-N 2.91Å; L37-L40 VanDerWaalsContact O-N 3.12Å
38S56.4Low47.8Very low83 Ų83144.7 Ų144.758%0.5874%0.74SS**G310 helixtrans-57.2-27.4170.7-46.60000114.4R36 L40R36-S38 WeakPolarHBondContact CD-OG 3.33Å; R36-S38 VanDerWaalsContact CG-OG 3.3Å; R36-S38 WeakPolarHBondContact CG-OG 3.48Å; R36-S38 PolarHBondContact O-N 3.13Å; S38-L40 VanDerWaalsContact C-N 3.3Å
39E51.2Low46.8Very low185 Ų185144.7 Ų144.786%0.86474%0.74SS**G310 helixtrans-81.1-13.3177.5-66.4-169.317900112.8R36 L37 G41R36-E39 PolarHBondContact O-N 3.06Å; L37-E39 PolarHBondContact O-N 3.13Å; E39-G41 VanDerWaalsContact C-N 3.33Å; E39-G41 PolarHBondContact O-N 2.85Å; E39-G41 VanDerWaalsContact O-N 3.08Å
40L50.6Low45.5Very low139 Ų139147 Ų14773%0.72875%0.747SS**SBendtrans-84.178.3170.9-86.8143.2000109.9L37 S38L37-L40 HydrophobicContact CD2-CD1 3.74Å; L37-L40 WeakPolarHBondContact O-CB 3.46Å; L37-L40 PolarHBondContact O-N 2.91Å; L37-L40 VanDerWaalsContact O-N 3.12Å; S38-L40 VanDerWaalsContact C-N 3.3Å
41G44.2Very low44.5Very low52 Ų52147.9 Ų147.954%0.53675%0.749SS.*  trans77.767.5151.300000116.7E39 D43E39-G41 VanDerWaalsContact C-N 3.33Å; E39-G41 PolarHBondContact O-N 2.85Å; E39-G41 VanDerWaalsContact O-N 3.08Å; G41-D43 PolarHBondContact O-N 3.09Å; G41-D43 VanDerWaalsContact O-N 3.09Å
42A45.8Very low44.4Very low104 Ų104144.9 Ų144.986%0.8675%0.752SS**  trans-78.373.114800000108.8K44A42-K44 PolarHBondContact O-N 3.28Å
43D44.3Very low43Very low136 Ų136145.1 Ų145.173%0.72777%0.768SS**  trans-62.7114.8171.3-84.1-47.9000110.7G41G41-D43 PolarHBondContact O-N 3.09Å; G41-D43 VanDerWaalsContact O-N 3.09Å
44K37.1Very low41.9Very low190 Ų190139.9 Ų139.983%0.82676%0.761SS**  trans35.1108.1140.7-67.4172.2178.81710117.6A42A42-K44 PolarHBondContact O-N 3.28Å
45S41.3Very low40.8Very low124 Ų124140.3 Ų140.387%0.86777%0.768SS**  trans-113.979140.966.30000110N47S45-N47 PolarHBondContact O-N 3.08Å
46H34.8Very low39.9Very low186 Ų186141 Ų14186%0.86177%0.773SS**  trans-84.187162.2-154.277.5000107.1
47N36.1Very low38.7Very low134 Ų134136.3 Ų136.372%0.71778%0.776SS**  trans-147.8105.2167.1-114.1-34.7000111.4S45S45-N47 PolarHBondContact O-N 3.08Å
48Q31.2Very low37.5Very low148 Ų148134.1 Ų134.169%0.69278%0.777SS**  trans75.7107.7140.2-68.4-167.837.800121.7
49Q31.7Very low36.5Very low165 Ų165139.8 Ų139.877%0.77179%0.791SS**  73.6101.4117.3-67.4-178.6-4.400119.2
50Q29.2Very low35.6Very low186 Ų186137.4 Ų137.487%0.86979%0.789SS**  trans-5.6124133.9-66.6177.8-15.100118
51R29.5Very low35.4Very low231 Ų231135.9 Ų135.987%0.87279%0.788SS**  136.1152.1128.3-80.9-170.8170.5-171.4-2.4113.7
52P43.1Very low35.1Very low120 Ų120141.9 Ų141.978%0.77981%0.807SS**  cis-133.8176.2-46.336.3-18.1000112.5
53A29.6Very low34.5Very low110 Ų110142.1 Ų142.191%0.90980%0.797SS**  trans-64.8135.5179.800000114.3
54G30.8Very low34.9Very low63 Ų63147.7 Ų147.765%0.64981%0.808SS**  trans163.3114.3160.600000115.9
55T30.1Very low34.6Very low142 Ų142145.7 Ų145.787%0.87181%0.806SS**  trans75.713515114.70000117.4
56V30.7Very low33.9Very low132 Ų132143.4 Ų143.480%0.880%0.802SS**  cis-154.3144.815.9-167.50000108.8
57A28.3Very low34.1Very low96 Ų96140.9 Ų140.979%0.79380%0.803SS**  trans-82.7138.4164.600000112.1
58A32Very low34Very low90 Ų90141.1 Ų141.174%0.74480%0.798SS**  trans-164.7117.515700000115
59K34.6Very low34.6Very low203 Ų203142 Ų14288%0.88381%0.807SS**  trans75.5103135.2-63179.4179.5-179.40121.7
60T32.9Very low34.7Very low134 Ų134141.7 Ų141.782%0.82281%0.81SS**  trans-55.8-176.8134.624.80000112.9
61P46.6Very low34.8Very low108 Ų108138.2 Ų138.270%0.70181%0.807SS**  cis-133.5179-23.532.5-13.1000112.4
62L38.1Very low35.2Very low178 Ų178132.8 Ų132.893%0.93280%0.801SS**  trans-163130.4134.3-146.567.9000113.3
63V33Very low35.1Very low109 Ų109134.7 Ų134.766%0.66181%0.805SS**  trans-87.1149.1-179.2171.10000111
64R51.2Low35.2Very low252 Ų252133.3 Ų133.395%0.95180%0.801SS**  trans-145127.3153.1-163.5171.4-178.2164.30.2110.7
65N31.6Very low35.5Very low148 Ų148136.7 Ų136.779%0.79181%0.809SS**  trans-96.7152.8-169.9-72.2-40.4000114.2
66G27Very low36Very low76 Ų76135.2 Ų135.278%0.78481%0.805SS**  trans107.6157.314500000117.9
67P39.7Very low36.7Very low134 Ų134134 Ų13487%0.8780%0.799SS**  cis-125.8172.8-7.438.1-20.2000115.6
68K32.4Very low37.8Very low139 Ų139135.7 Ų135.760%0.60479%0.794SS**  trans-82.9148.4178.7-67.4-179.4169.9-168.40112.4T321K68-T321 VanDerWaalsContact CE-OG1 3.26Å; K68-T321 WeakPolarHBondContact CE-OG1 3.37Å; K68-T321 PolarHBondContact NZ-OG1 3.04Å; K68-T321 VanDerWaalsContact NZ-OG1 3.16Å
69D44.3Very low38.8Very low166 Ų166134.5 Ų134.589%0.88878%0.78SS**  trans-149.3140.3149.7-91-40.5000109.3
70D34.4Very low39.4Very low158 Ų158132.6 Ų132.685%0.84577%0.774SS**  trans-75.4158.2-160.9-77.1-62.2000117
71S30.9Very low40.1Very low114 Ų114133.5 Ų133.580%0.79777%0.771SS**  trans-94.5155.1168.7-55.30000111.5
72P38.4Very low40.5Very low116 Ų116136 Ų13675%0.75377%0.773SS**  -139156.1125.433.5-19.1000114.8
73N40.2Very low41.2Very low161 Ų161135.3 Ų135.386%0.86176%0.763SS**  trans86.268.3165.2-60.9-13.4000119.3
74G33.1Very low41.9Very low80 Ų80137 Ų13783%0.82577%0.768SS**  70.65888.700000119.3
75V36.9Very low41.9Very low134 Ų134132.6 Ų132.681%0.81276%0.76SS**  trans-127.3102.4150.8-174.20000107.1P77V75-P77 WeakPolarHBondContact O-CD 3.48Å
76S39.7Very low43.1Very low112 Ų112129.3 Ų129.378%0.78375%0.754SS**  trans-64.5112.1179.4-47.70000109.6I78S76-I78 PolarHBondContact O-N 3.27Å
77P45.2Very low44.7Very low105 Ų105131.5 Ų131.568%0.68275%0.754SS**  trans-67.7131.617526.5-30.4000109V75 S79V75-P77 WeakPolarHBondContact O-CD 3.48Å; P77-S79 PolarHBondContact O-N 2.87Å
78I51Low45.4Very low132 Ų132130.7 Ų130.768%0.67774%0.742SS**THydrogen-bonded Turntrans-56.910.7178.9-67.4157.9000113.7S76 E80S76-I78 PolarHBondContact O-N 3.27Å; I78-E80 VanDerWaalsContact C-N 3.28Å; I78-E80 PolarHBondContact O-N 2.92Å
79S53.6Low46.7Very low66 Ų66127 Ų12746%0.46273%0.733SS.*THydrogen-bonded Turntrans-69.9-15.1177.5-178.20000114.5P77P77-S79 PolarHBondContact O-N 2.87Å
80E48.2Very low47.5Very low162 Ų162123.3 Ų123.376%0.75772%0.719SS**THydrogen-bonded Turntrans-86.7-28.3176.7-78.6-173162.500113.5I78 Q82 K83I78-E80 VanDerWaalsContact C-N 3.28Å; I78-E80 PolarHBondContact O-N 2.92Å; E80-Q82 PolarHBondContact O-N 2.83Å; E80-K83 PolarHBondContact O-N 2.77Å
81M46.7Very low48.7Very low154 Ų154123.2 Ų123.276%0.75971%0.713SS**THydrogen-bonded Turntrans-68.9-23.2177.3-66.5-173.8-176.100112.7
82Q55.4Low50Low160 Ų160122.7 Ų122.775%0.74870%0.7SS**THydrogen-bonded Turntrans-87.3-13179.5-76.7-174.3-19.200114.7E80E80-Q82 PolarHBondContact O-N 2.83Å
83K52Low50.9Low163 Ų163122.9 Ų122.971%0.70969%0.692SS**THydrogen-bonded Turntrans-93.3-15.3-178.4-76.7-176.7178.4175.10114.6E80E80-K83 PolarHBondContact O-N 2.77Å
84N48Very low51.7Low145 Ų145119.3 Ų119.378%0.77567%0.673SS**SBendtrans-91.8-0.1176-68.6-17.9000113.6A86N84-A86 VanDerWaalsContact C-N 3.34Å; N84-A86 PolarHBondContact O-N 2.87Å
85M52.2Low52.9Low159 Ų159118.7 Ų118.778%0.78366%0.656SS**  trans-94.769165.7-61.4-65.1-120.100108.3
86A56.1Low53.8Low80 Ų80116.8 Ų116.866%0.66164%0.641SS**PPolyproline II helixtrans-53.2130.8159.600000106.7N84 L88N84-A86 VanDerWaalsContact C-N 3.34Å; N84-A86 PolarHBondContact O-N 2.87Å; A86-L88 PolarHBondContact O-N 2.72Å; A86-L88 VanDerWaalsContact O-N 3.13Å
87P60.6Low54.7Low122 Ų122120.4 Ų120.479%0.79264%0.637SS**PPolyproline II helixtrans-53.8127.2-177.922.1-32.1000108.1S89P87-S89 PolarHBondContact O-N 3.18Å
88L53.2Low55.1Low117 Ų117122.2 Ų122.261%0.61364%0.636SS**PPolyproline II helixtrans-47.2118.3174.1-67.1164.3000106.9A86 M92A86-L88 PolarHBondContact O-N 2.72Å; A86-L88 VanDerWaalsContact O-N 3.13Å; L88-M92 HydrophobicContact CB-CE 3.85Å; L88-M92 HydrophobicContact CD2-CE 3.16Å; L88-M92 HydrophobicContact CD2-SD 3.97Å; L88-M92 HydrophobicContact CG-CE 4.08Å
89S59.8Low55.2Low60 Ų60121.3 Ų121.342%0.4263%0.631SS.*PPolyproline II helixtrans-50.6139176.3176.80000108.6P87 E91 M92P87-S89 PolarHBondContact O-N 3.18Å; S89-E91 PolarHBondContact O-N 3.19Å; S89-M92 PolarHBondContact O-N 3.08Å
90P62Low55.2Low90 Ų90124.7 Ų124.758%0.58464%0.637SS**Hα-helixtrans-47.8-26.2179.2-29.434.9000114.6M92 M93 N94P90-M92 VanDerWaalsContact C-N 3.33Å; P90-M92 PolarHBondContact O-N 3.31Å; P90-M93 PolarHBondContact O-N 3.44Å; P90-M93 VanDerWaalsContact O-N 3.12Å; P90-N94 PolarHBondContact O-N 2.95Å; P90-N94 VanDerWaalsContact O-N 3.08Å
91E59.7Low55.6Low155 Ų155122 Ų12272%0.72463%0.632SS**Hα-helixtrans-55.1-41172.3-109.9173.415900113.8S89 M93 N94 S95S89-E91 PolarHBondContact O-N 3.19Å; E91-M93 VanDerWaalsContact C-N 3.32Å; E91-M93 PolarHBondContact O-N 2.88Å; E91-N94 PolarHBondContact O-N 2.74Å; E91-S95 PolarHBondContact O-N 2.93Å
92M58.7Low55.6Low104 Ų104121.1 Ų121.151%0.51263%0.626SS.*Hα-helixtrans-73.1-25177.3-73.2-168.1-73.900112.8L88 S89 P90L88-M92 HydrophobicContact CB-CE 3.85Å; L88-M92 HydrophobicContact CD2-CE 3.16Å; L88-M92 HydrophobicContact CD2-SD 3.97Å; L88-M92 HydrophobicContact CG-CE 4.08Å; S89-M92 PolarHBondContact O-N 3.08Å; P90-M92 VanDerWaalsContact C-N 3.33Å; P90-M92 PolarHBondContact O-N 3.31Å
93M56.1Low55.2Low119 Ų119121.2 Ų121.259%0.58663%0.626SS**Hα-helixtrans-77.5-28.8174.9-65-145.6-58.100112.4P90 E91P90-M93 PolarHBondContact O-N 3.44Å; P90-M93 VanDerWaalsContact O-N 3.12Å; E91-M93 VanDerWaalsContact C-N 3.32Å; E91-M93 PolarHBondContact O-N 2.88Å
94N57.5Low54.7Low87 Ų87121.7 Ų121.747%0.46563%0.631SS.*Hα-helixtrans-73.4-35.2174.4-68.9-16.2000111.9P90 E91 L96 R97 E98P90-N94 PolarHBondContact O-N 2.95Å; P90-N94 VanDerWaalsContact O-N 3.08Å; E91-N94 PolarHBondContact O-N 2.74Å; N94-L96 PolarHBondContact O-N 3.03Å; N94-R97 PolarHBondContact O-N 3.23Å; N94-R97 VanDerWaalsContact O-N 3.09Å; N94-E98 PolarHBondContact O-N 3.37Å; N94-E98 VanDerWaalsContact O-N 3.15Å
95S57.7Low54.5Low66 Ų66122.2 Ų122.246%0.46263%0.633SS.*Hα-helixtrans-59-31175.9-179.70000113.2E91 M99E91-S95 PolarHBondContact O-N 2.93Å; S95-M99 PolarHBondContact O-N 3.04Å
96L57Low53.9Low95 Ų95123.4 Ų123.450%0.49764%0.636SS.*Hα-helixtrans-72-42174-73.6169.4000112.4N94 E98 M99 F100N94-L96 PolarHBondContact O-N 3.03Å; L96-E98 VanDerWaalsContact C-N 3.3Å; L96-E98 PolarHBondContact O-N 3.1Å; L96-M99 HydrophobicContact CD2-CE 3.73Å; L96-M99 PolarHBondContact O-N 3.2Å; L96-F100 WeakPolarHBondContact O-CD2 3.37Å; L96-F100 PolarHBondContact O-N 3.12Å
97R57.1Low52.8Low187 Ų187128 Ų12871%0.70665%0.645SS**Hα-helixtrans-65.9-32.8179.8-85.1-177.6177.9172.4-1.3112.6N94 V101N94-R97 PolarHBondContact O-N 3.23Å; N94-R97 VanDerWaalsContact O-N 3.09Å; R97-V101 WeakPolarHBondContact O-CG2 3.3Å
98E53.6Low51.4Low144 Ų144130.4 Ų130.467%0.67365%0.645SS**Hα-helixtrans-72.3-34.4177.7-70.4178.8-179.600112.4N94 L96 F100 V101N94-E98 PolarHBondContact O-N 3.37Å; N94-E98 VanDerWaalsContact O-N 3.15Å; L96-E98 VanDerWaalsContact C-N 3.3Å; L96-E98 PolarHBondContact O-N 3.1Å; E98-F100 VanDerWaalsContact C-N 3.33Å; E98-F100 PolarHBondContact O-N 3.41Å; E98-V101 PolarHBondContact O-N 3.26Å
99M54.2Low50.8Low113 Ų113129.5 Ų129.556%0.55765%0.646SS**Hα-helixtrans-65-33.9174.5-74-170.9-65.300113.2S95 L96 V101S95-M99 PolarHBondContact O-N 3.04Å; L96-M99 HydrophobicContact CD2-CE 3.73Å; L96-M99 PolarHBondContact O-N 3.2Å; M99-V101 VanDerWaalsContact C-N 3.33Å; M99-V101 PolarHBondContact O-N 3.17Å
100F53.8Low50.3Low136 Ų136132 Ų13260%0.59665%0.651SS**Hα-helixtrans-78.3-14.9179.6-69.4-66.5000114L96 E98L96-F100 WeakPolarHBondContact O-CD2 3.37Å; L96-F100 PolarHBondContact O-N 3.12Å; E98-F100 VanDerWaalsContact C-N 3.33Å; E98-F100 PolarHBondContact O-N 3.41Å
101V55.5Low49.5Very low107 Ų107135.5 Ų135.565%0.64866%0.66SS**Hα-helixtrans-83.1-22.21781750000111.8R97 E98 M99R97-V101 WeakPolarHBondContact O-CG2 3.3Å; E98-V101 PolarHBondContact O-N 3.26Å; M99-V101 VanDerWaalsContact C-N 3.33Å; M99-V101 PolarHBondContact O-N 3.17Å
102E47.3Very low49.1Very low134 Ų134132 Ų13263%0.62666%0.657SS**Hα-helixtrans-85.8-17.9178.8-72.2-171.7167.700113.9Y341E102-Y341 PolarHBondContact OE1-OH 3.02Å
103E46.2Very low48.6Very low162 Ų162135.4 Ų135.476%0.75767%0.669SS**Hα-helixtrans-93.8-17.5-176.7-158.7172-175.700114.4L105E103-L105 VanDerWaalsContact C-N 3.32Å; E103-L105 PolarHBondContact O-N 2.82Å
104E42.5Very low48.4Very low173 Ų173134.1 Ų134.181%0.80867%0.668SS**G310 helixtrans-84.91.7179.3-86.5-172.5156.200114.7E106E104-E106 VanDerWaalsContact C-N 3.31Å; E104-E106 PolarHBondContact O-N 3.42Å
105L43Very low48.2Very low156 Ų156134.6 Ų134.682%0.81767%0.674SS**G310 helixtrans-83.84.6-178.3-109158000115.1E103E103-L105 VanDerWaalsContact C-N 3.32Å; E103-L105 PolarHBondContact O-N 2.82Å
106E40.1Very low48.1Very low184 Ų184134.5 Ų134.586%0.8668%0.677SS**G310 helixtrans-121.817.2-177.2-134.7175.4-16300116.3E104E104-E106 VanDerWaalsContact C-N 3.31Å; E104-E106 PolarHBondContact O-N 3.42Å
107Q34Very low48.1Very low178 Ų178132.7 Ų132.783%0.83268%0.676SS**  trans-132.581.7167.4-70.2-177.130.600111.5P109Q107-P109 WeakPolarHBondContact O-CD 3.4Å
108Q31.3Very low48Very low172 Ų172129.7 Ų129.780%0.80467%0.67SS**  trans-87.198.8152.6-83.7-129.54.700109.7
109P40.4Very low48.2Very low98 Ų98127.4 Ų127.464%0.63667%0.665SS**  trans-89.2115.3149.631.5-26.4000108.1Q107 E111Q107-P109 WeakPolarHBondContact O-CD 3.4Å; P109-E111 PolarHBondContact O-N 2.86Å
110E48.5Very low48.6Very low113 Ų113128.2 Ų128.253%0.52867%0.666SS.*THydrogen-bonded Turntrans-6311.8-180-91-162.3152.400116.1Q351E110-Q351 VanDerWaalsContact CG-NE2 3.34Å; E110-Q351 PolarHBondContact OE2-NE2 3.02Å; E110-Q351 PolarHBondContact OE2-OE1 3.27Å
111E44.7Very low49.2Very low162 Ų162125.9 Ų125.976%0.75766%0.663SS**THydrogen-bonded Turntrans-86.7-9.1-173-67.3-168.6159.200115.1P109 K113P109-E111 PolarHBondContact O-N 2.86Å; E111-K113 VanDerWaalsContact C-N 3.33Å; E111-K113 PolarHBondContact O-N 3.04Å
112A51.2Low49.7Very low81 Ų81125.4 Ų125.467%0.66966%0.656SS**Hα-helixtrans-72.9-22.5178.500000113.9A116A112-A116 PolarHBondContact O-N 3.18Å
113K49.2Very low50.6Low176 Ų176124.9 Ų124.977%0.76565%0.649SS**Hα-helixtrans-77.6-32.7-177.8-88.6-179.9179.9170.10113.5E111 A117E111-K113 VanDerWaalsContact C-N 3.33Å; E111-K113 PolarHBondContact O-N 3.04Å; K113-A117 PolarHBondContact O-N 3.2Å
114V51.1Low51.6Low93 Ų93120.7 Ų120.756%0.56463%0.629SS**Hα-helixtrans-72.1-42.2-177.9-176.50000110.4A116 A117 E118V114-A116 PolarHBondContact O-N 3.39Å; V114-A117 PolarHBondContact O-N 2.94Å; V114-E118 PolarHBondContact O-N 2.93Å
115V54.1Low52.8Low96 Ų96116.3 Ų116.358%0.58262%0.622SS**Hα-helixtrans-64.6-39.7178.5-174.50000111.5A117 V119V115-A117 VanDerWaalsContact C-N 3.35Å; V115-A117 PolarHBondContact O-N 3.17Å; V115-V119 VanDerWaalsContact O-CG2 3.29Å; V115-V119 WeakPolarHBondContact O-CG2 3.29Å; V115-V119 PolarHBondContact O-N 2.98Å
116A55.8Low54.1Low64 Ų64118.2 Ų118.253%0.52962%0.619SS.*Hα-helixtrans-67.6-33.6177.700000113A112 V114 K120A112-A116 PolarHBondContact O-N 3.18Å; V114-A116 PolarHBondContact O-N 3.39Å; A116-K120 WeakPolarHBondContact O-CB 3.42Å; A116-K120 PolarHBondContact O-N 2.88Å
117A56.3Low55.4Low58 Ų58112.7 Ų112.748%0.47959%0.593SS.*Hα-helixtrans-70.3-44.1178.800000112.1K113 V114 V115 K120 T121K113-A117 PolarHBondContact O-N 3.2Å; V114-A117 PolarHBondContact O-N 2.94Å; V115-A117 VanDerWaalsContact C-N 3.35Å; V115-A117 PolarHBondContact O-N 3.17Å; A117-K120 PolarHBondContact O-N 2.9Å; A117-T121 PolarHBondContact O-N 2.65Å; A117-T121 VanDerWaalsContact O-N 3.08Å; A117-T121 PolarHBondContact O-OG1 3Å
118E55Low56.8Low124 Ų124108.9 Ų108.958%0.57958%0.583SS**Hα-helixtrans-66.6-40.4179-73.3-170.2166.700112.9V114 K120 T121 I122V114-E118 PolarHBondContact O-N 2.93Å; E118-K120 VanDerWaalsContact C-N 3.26Å; E118-K120 PolarHBondContact O-N 2.8Å; E118-T121 WeakPolarHBondContact CA-OG1 3.29Å; E118-T121 PolarHBondContact O-N 3.38Å; E118-T121 PolarHBondContact O-OG1 3.17Å; E118-T121 VanDerWaalsContact O-OG1 3.12Å; E118-I122 VanDerWaalsContact O-CG1 3.29Å; E118-I122 WeakPolarHBondContact O-CG1 3.39Å; E118-I122 PolarHBondContact O-N 3.5Å
119V58.7Low58.5Low95 Ų95106.1 Ų106.158%0.57657%0.574SS**Hα-helixtrans-64.4-36.3176.8175.60000110.8V115 Y123V115-V119 VanDerWaalsContact O-CG2 3.29Å; V115-V119 WeakPolarHBondContact O-CG2 3.29Å; V115-V119 PolarHBondContact O-N 2.98Å; V119-Y123 PolarHBondContact O-N 3.34Å; V119-Y123 VanDerWaalsContact O-N 3.15Å
120K61.9Low59.3Low130 Ų130104.6 Ų104.657%0.56556%0.559SS**Hα-helixtrans-68.7-41.7177.5-165-178.3176.9-167.50112.3A116 A117 E118 Y123 E124A116-K120 WeakPolarHBondContact O-CB 3.42Å; A116-K120 PolarHBondContact O-N 2.88Å; A117-K120 PolarHBondContact O-N 2.9Å; E118-K120 VanDerWaalsContact C-N 3.26Å; E118-K120 PolarHBondContact O-N 2.8Å; K120-Y123 PolarHBondContact O-N 2.94Å; K120-E124 VanDerWaalsContact CE-OE1 3.3Å; K120-E124 WeakPolarHBondContact CE-OE1 3.12Å; K120-E124 WeakPolarHBondContact O-CG 3.48Å; K120-E124 PolarHBondContact O-N 3.04Å
121T65.8Low59.8Low88 Ų88105.3 Ų105.354%0.5456%0.562SS.*Hα-helixtrans-67.9-37.5177.426.30000112.7A117 E118 Y123 E124 A125A117-T121 PolarHBondContact O-N 2.65Å; A117-T121 VanDerWaalsContact O-N 3.08Å; A117-T121 PolarHBondContact O-OG1 3Å; E118-T121 WeakPolarHBondContact CA-OG1 3.29Å; E118-T121 PolarHBondContact O-N 3.38Å; E118-T121 PolarHBondContact O-OG1 3.17Å; E118-T121 VanDerWaalsContact O-OG1 3.12Å; T121-Y123 VanDerWaalsContact C-N 3.32Å; T121-Y123 PolarHBondContact O-N 3.14Å; T121-E124 PolarHBondContact O-N 3.48Å; T121-A125 WeakPolarHBondContact O-CB 3.43Å; T121-A125 PolarHBondContact O-N 3.15Å
122I66.5Low60.4Low96 Ų96100.9 Ų100.949%0.49255%0.553SS.*Hα-helixtrans-65.8-37.7176-64.4165.4000110.9E118 R126E118-I122 VanDerWaalsContact O-CG1 3.29Å; E118-I122 WeakPolarHBondContact O-CG1 3.39Å; E118-I122 PolarHBondContact O-N 3.5Å; I122-R126 WeakPolarHBondContact O-CG 3.35Å; I122-R126 PolarHBondContact O-N 3.01Å
123Y65.6Low60.6Low124 Ų124104.1 Ų104.149%0.48655%0.554SS.*Hα-helixtrans-67.5-48.2176.5-169.7-88.3000111.8V119 K120 T121 A125 R126 H127 E130V119-Y123 PolarHBondContact O-N 3.34Å; V119-Y123 VanDerWaalsContact O-N 3.15Å; K120-Y123 PolarHBondContact O-N 2.94Å; T121-Y123 VanDerWaalsContact C-N 3.32Å; T121-Y123 PolarHBondContact O-N 3.14Å; Y123-A125 VanDerWaalsContact C-N 3.3Å; Y123-A125 PolarHBondContact O-N 2.8Å; Y123-R126 PolarHBondContact O-N 2.96Å; Y123-R126 VanDerWaalsContact O-N 3.14Å; Y123-H127 HydrophobicContact CE1-CB 4.25Å; Y123-H127 AromaticContact CE2-CD2 3.94Å; Y123-H127 AromaticContact CZ-CD2 3.96Å; Y123-H127 PolarHBondContact O-CD2 3.01Å; Y123-H127 PolarHBondContact O-N 2.72Å; Y123-E130 PolarHBondContact OH-OE2 2.96Å
124E68.5Low60.8Low73 Ų73102.2 Ų102.234%0.34155%0.546SS..Hα-helixtrans-62.7-34.5179.2-73.3180175.100112.5K120 T121 H127 Q131K120-E124 VanDerWaalsContact CE-OE1 3.3Å; K120-E124 WeakPolarHBondContact CE-OE1 3.12Å; K120-E124 WeakPolarHBondContact O-CG 3.48Å; K120-E124 PolarHBondContact O-N 3.04Å; T121-E124 PolarHBondContact O-N 3.48Å; E124-H127 CarbonylContact O-C 3.46Å; E124-H127 PolarHBondContact O-N 3.21Å; E124-Q131 PolarHBondContact OE1-NE2 3.18Å
125A66.6Low60.9Low81 Ų81103 Ų10367%0.66955%0.551SS**Hα-helixtrans-69.2-31.8175.400000113.5T121 Y123T121-A125 WeakPolarHBondContact O-CB 3.43Å; T121-A125 PolarHBondContact O-N 3.15Å; Y123-A125 VanDerWaalsContact C-N 3.3Å; Y123-A125 PolarHBondContact O-N 2.8Å
126R71.5Confident60.9Low196 Ų196101.6 Ų101.674%0.7456%0.556SS**Hα-helixtrans-80.5-24.8176.1-73-176-178.2-162.23.3112.8I122 Y123 P128I122-R126 WeakPolarHBondContact O-CG 3.35Å; I122-R126 PolarHBondContact O-N 3.01Å; Y123-R126 PolarHBondContact O-N 2.96Å; Y123-R126 VanDerWaalsContact O-N 3.14Å; R126-P128 VanDerWaalsContact C-CD 3.45Å
127H67.6Low60.6Low69 Ų69107.1 Ų107.132%0.31957%0.565SS.*  trans-128.856.2-173-59.9-92.2000113.1Y123 E124 N129 E130Y123-H127 HydrophobicContact CE1-CB 4.25Å; Y123-H127 AromaticContact CE2-CD2 3.94Å; Y123-H127 AromaticContact CZ-CD2 3.96Å; Y123-H127 PolarHBondContact O-CD2 3.01Å; Y123-H127 PolarHBondContact O-N 2.72Å; E124-H127 CarbonylContact O-C 3.46Å; E124-H127 PolarHBondContact O-N 3.21Å; H127-N129 PolarHBondContact O-N 3.19Å; H127-E130 HydrophobicContact CB-CB 4.18Å; H127-E130 HydrophobicContact CB-CG 3.95Å; H127-E130 IonicContact CE1-OE1 3.59Å; H127-E130 IonicContact CG-OE1 3.93Å; H127-E130 IonicContact CG-OE2 2.82Å; H127-E130 IonicContact ND1-OE1 3.92Å; H127-E130 PolarHBondContact ND1-OE1 2.85Å; H127-E130 IonicContact ND1-OE2 3.62Å; H127-E130 PolarHBondContact O-N 3.45Å; H127-E130 VanDerWaalsContact O-N 3.17Å
128P62.2Low60.4Low97 Ų97110.2 Ų110.263%0.6358%0.578SS**THydrogen-bonded Turntrans-61.6-20.3-17624.8-34.8000113.9R126R126-P128 VanDerWaalsContact C-CD 3.45Å
129N66.9Low59.9Low115 Ų115114.2 Ų114.262%0.61559%0.588SS**THydrogen-bonded Turntrans-97.1-6.5-178.1-74.5-31000114.8H127 Q133H127-N129 PolarHBondContact O-N 3.19Å; N129-Q133 WeakPolarHBondContact O-CG 3.5Å; N129-Q133 PolarHBondContact O-N 3.37Å
130E57.6Low59.5Low65 Ų65116.1 Ų116.130%0.30460%0.595SS.*Hα-helixtrans-73.2-43.1-177.4-79.7-176.5-169.600112.1Y123 H127 A132 Q133 F134Y123-E130 PolarHBondContact OH-OE2 2.96Å; H127-E130 HydrophobicContact CB-CB 4.18Å; H127-E130 HydrophobicContact CB-CG 3.95Å; H127-E130 IonicContact CE1-OE1 3.59Å; H127-E130 IonicContact CG-OE1 3.93Å; H127-E130 IonicContact CG-OE2 2.82Å; H127-E130 IonicContact ND1-OE1 3.92Å; H127-E130 PolarHBondContact ND1-OE1 2.85Å; H127-E130 IonicContact ND1-OE2 3.62Å; H127-E130 PolarHBondContact O-N 3.45Å; H127-E130 VanDerWaalsContact O-N 3.17Å; E130-A132 PolarHBondContact O-N 3.24Å; E130-Q133 PolarHBondContact O-N 3.06Å; E130-Q133 VanDerWaalsContact O-N 3.12Å; E130-F134 WeakPolarHBondContact O-CD2 3.47Å; E130-F134 PolarHBondContact O-N 3.36Å
131Q58.8Low58.9Low129 Ų129114.8 Ų114.860%0.60359%0.593SS**Hα-helixtrans-61.7-33176-76.4-176.50.900112.6E124 T135E124-Q131 PolarHBondContact OE1-NE2 3.18Å; Q131-T135 PolarHBondContact O-N 3.08Å
132A58.2Low57.9Low68 Ų68116.1 Ų116.156%0.56260%0.596SS**Hα-helixtrans-73.6-28.1177.200000113.1E130 T135E130-A132 PolarHBondContact O-N 3.24Å; A132-T135 PolarHBondContact O-OG1 3.39Å; A132-T135 VanDerWaalsContact O-OG1 3.1Å
133Q55.8Low57.1Low149 Ų149121.9 Ų121.970%0.69661%0.612SS**Hα-helixtrans-79.6-25.2176.8-73.7-175.9400113.1N129 E130N129-Q133 WeakPolarHBondContact O-CG 3.5Å; N129-Q133 PolarHBondContact O-N 3.37Å; E130-Q133 PolarHBondContact O-N 3.06Å; E130-Q133 VanDerWaalsContact O-N 3.12Å
134F53.3Low56.1Low136 Ų136122.9 Ų122.960%0.59663%0.626SS**Hα-helixtrans-96.8-5.5-177-77.6-77.9000115.4E130 G136 Y137E130-F134 WeakPolarHBondContact O-CD2 3.47Å; E130-F134 PolarHBondContact O-N 3.36Å; F134-G136 PolarHBondContact O-N 3.24Å; F134-Y137 HydrophobicContact CD1-CD2 4.24Å; F134-Y137 PolarHBondContact O-N 3.31Å; F134-Y137 VanDerWaalsContact O-N 3.17Å
135T52.1Low54.8Low109 Ų109123.3 Ų123.367%0.66964%0.642SS**THydrogen-bonded Turntrans-64.1-9.8176.532.30000114.4Q131 A132Q131-T135 PolarHBondContact O-N 3.08Å; A132-T135 PolarHBondContact O-OG1 3.39Å; A132-T135 VanDerWaalsContact O-OG1 3.1Å
136G54.1Low53.6Low67 Ų67127 Ų12769%0.69165%0.65SS**THydrogen-bonded Turntrans-81.8-15.4174.100000115.7F134F134-G136 PolarHBondContact O-N 3.24Å
137Y50.5Low52.6Low180 Ų180122.2 Ų122.271%0.70665%0.653SS**  trans-105.764.3-176.1-62.9-81.5000111.3F134 W139F134-Y137 HydrophobicContact CD1-CD2 4.24Å; F134-Y137 PolarHBondContact O-N 3.31Å; F134-Y137 VanDerWaalsContact O-N 3.17Å; Y137-W139 PolarHBondContact O-N 2.94Å
138T50.3Low51.4Low123 Ų123126.7 Ų126.776%0.75568%0.679SS**  trans-79.395.9163.351.50000108.2N140T138-N140 PolarHBondContact O-N 3.12Å
139W44.9Very low50.9Low209 Ų209127.5 Ų127.579%0.79269%0.687SS**  trans-7089166.149.2-67000106.9Y137 I141Y137-W139 PolarHBondContact O-N 2.94Å; W139-I141 HydrophobicContact CD2-CG1 4.35Å; W139-I141 HydrophobicContact CE3-CD1 3.62Å; W139-I141 HydrophobicContact CE3-CG1 3.45Å; W139-I141 VanDerWaalsContact CE3-CG1 3.45Å; W139-I141 HydrophobicContact CH2-CD1 3.82Å; W139-I141 HydrophobicContact CZ3-CD1 3.18Å; W139-I141 HydrophobicContact CZ3-CG1 3.62Å; W139-I141 PolarHBondContact O-N 2.8Å
140N51.7Low49.8Very low134 Ų134133 Ų13372%0.71770%0.699SS**  trans-68.799.1177.2-166.9-6000108.3T138 N142T138-N140 PolarHBondContact O-N 3.12Å; N140-N142 PolarHBondContact O-N 3.33Å
141I49Very low49.1Very low103 Ų103139.2 Ų139.253%0.52873%0.725SS.*  trans-73.371.4171.7-43.7171.1000107.5W139 R143W139-I141 HydrophobicContact CD2-CG1 4.35Å; W139-I141 HydrophobicContact CE3-CD1 3.62Å; W139-I141 HydrophobicContact CE3-CG1 3.45Å; W139-I141 VanDerWaalsContact CE3-CG1 3.45Å; W139-I141 HydrophobicContact CH2-CD1 3.82Å; W139-I141 HydrophobicContact CZ3-CD1 3.18Å; W139-I141 HydrophobicContact CZ3-CG1 3.62Å; W139-I141 PolarHBondContact O-N 2.8Å; I141-R143 VanDerWaalsContact C-N 3.34Å; I141-R143 HydrophobicContact CG2-CG 3.96Å; I141-R143 PolarHBondContact O-N 3.12Å
142N44.6Very low48.7Very low115 Ų115137.6 Ų137.662%0.61573%0.734SS**  trans-75.894.2174.1-150.4-10.4000107.6N140 N144N140-N142 PolarHBondContact O-N 3.33Å; N142-N144 PolarHBondContact O-N 3.41Å
143R49.4Very low48.3Very low217 Ų217143.9 Ų143.982%0.81975%0.749SS**THydrogen-bonded Turntrans-63.94.7-171.9-77.4-169.8-179.1-175.30.4115.7I141I141-R143 VanDerWaalsContact C-N 3.34Å; I141-R143 HydrophobicContact CG2-CG 3.96Å; I141-R143 PolarHBondContact O-N 3.12Å
144N44.8Very low48Very low145 Ų145144.1 Ų144.178%0.77575%0.751SS**THydrogen-bonded Turntrans-128.120.4-171.5-68.6-17.5000115N142N142-N144 PolarHBondContact O-N 3.41Å
145A41.6Very low48.4Very low83 Ų83142.8 Ų142.869%0.68676%0.756SS**  trans-97.8100.1175.700000110.8A147A145-A147 PolarHBondContact O-N 3.12Å
146D40.8Very low48.4Very low157 Ų157145.5 Ų145.584%0.8477%0.766SS**  trans-30.7118.2168.5-73.2-66000113D148D146-D148 VanDerWaalsContact C-N 3.32Å; D146-D148 PolarHBondContact O-N 3.46Å
147A50.9Low48.6Very low96 Ų96150.1 Ų150.179%0.79377%0.774SS**SBendtrans-73.776.8-177.500000110.9A145A145-A147 PolarHBondContact O-N 3.12Å
148D42.8Very low48.4Very low164 Ų164146.6 Ų146.688%0.87778%0.775SS**  trans-165.232.7165.9-109.7-24.8000118.2D146D146-D148 VanDerWaalsContact C-N 3.32Å; D146-D148 PolarHBondContact O-N 3.46Å
149S50.5Low48.4Very low113 Ų113146 Ų14679%0.7977%0.774SS**  trans-130.490.9171.4-178.70000114.2
150R43.3Very low48.8Very low232 Ų232141.7 Ų141.788%0.87577%0.773SS**  trans-0.3122.7145.7-62.5176.2-178.6-172.2-0.5116.3
151K43.4Very low48.3Very low195 Ų195144.6 Ų144.685%0.84878%0.782SS**SBendtrans70.8115.1160.6-57.2-167.2178.1-172.40115K153K151-K153 PolarHBondContact O-N 3.39Å
152A49.9Very low48.3Very low94 Ų94145.9 Ų145.978%0.77779%0.794SS**  trans-41.6108.516800000110.1M154A152-M154 PolarHBondContact O-N 3.14Å
153K49.5Very low48.2Very low201 Ų201149.3 Ų149.387%0.87481%0.807SS**  trans-66.390.2162.2-81.2176.2176.41750105.6K151 P155K151-K153 PolarHBondContact O-N 3.39Å; K153-P155 WeakPolarHBondContact O-CD 3.44Å
154M49.7Very low47.5Very low153 Ų153142.9 Ų142.975%0.75480%0.8SS**  trans-52.5120.8157.7-68.6-66.9-69.400105.6A152 L156A152-M154 PolarHBondContact O-N 3.14Å; M154-L156 PolarHBondContact O-N 3.02Å
155P62.3Low47Very low108 Ų108143.7 Ų143.770%0.70180%0.804SS**  trans-58.8112.5173.521.9-29.1000106.9K153 L157K153-P155 WeakPolarHBondContact O-CD 3.44Å; P155-L157 VanDerWaalsContact C-N 3.26Å; P155-L157 PolarHBondContact O-N 3.12Å
156L52.5Low47.2Very low166 Ų166145.3 Ų145.387%0.86981%0.807SS**  trans-62.896.3168.5-75.9162.8000105.8M154 S158M154-L156 PolarHBondContact O-N 3.02Å; L156-S158 VanDerWaalsContact C-N 3.34Å; L156-S158 PolarHBondContact O-N 2.93Å
157L57.4Low46.8Very low165 Ų165142.3 Ų142.386%0.86480%0.804SS**  trans-61.4101.7165.1-77.8157.5000106.3P155P155-L157 VanDerWaalsContact C-N 3.26Å; P155-L157 PolarHBondContact O-N 3.12Å
158S46.7Very low46.4Very low105 Ų105143.8 Ų143.873%0.73481%0.806SS**PPolyproline II helixtrans-53.7127.2170.2-56.30000108.3L156L156-S158 VanDerWaalsContact C-N 3.34Å; L156-S158 PolarHBondContact O-N 2.93Å
159P49.7Very low46.1Very low112 Ų112140.7 Ų140.773%0.72780%0.803SS**PPolyproline II helixtrans-59.4141.7175.623.4-31.2000109.3Q161P159-Q161 PolarHBondContact O-N 2.96Å
160P53.9Low45.3Very low117 Ų117139.7 Ų139.776%0.7680%0.802SS**PPolyproline II helixtrans-57.4126.2-178.422-31.6000109.9V162P160-V162 VanDerWaalsContact C-N 3.3Å; P160-V162 PolarHBondContact O-N 3.26Å
161Q40.6Very low45.4Very low195 Ų195134.8 Ų134.891%0.91180%0.8SS**  trans-66.991.2169.7-73.4-171.7-29.600108.4P159 Q163P159-Q161 PolarHBondContact O-N 2.96Å; Q161-Q163 VanDerWaalsContact C-N 3.28Å; Q161-Q163 PolarHBondContact O-N 3.23Å; Q161-Q163 VanDerWaalsContact O-N 3.09Å
162V50.1Low45.4Very low131 Ų131132.4 Ų132.479%0.79480%0.796SS**  trans-77.590.5163.5-177.20000106.3P160 A164P160-V162 VanDerWaalsContact C-N 3.3Å; P160-V162 PolarHBondContact O-N 3.26Å; V162-A164 PolarHBondContact O-N 3.18Å
163Q42.2Very low44.6Very low187 Ų187136 Ų13687%0.87480%0.798SS**  trans-64.7126.3165.5-161.2166.28.600107.7Q161Q161-Q163 VanDerWaalsContact C-N 3.28Å; Q161-Q163 PolarHBondContact O-N 3.23Å; Q161-Q163 VanDerWaalsContact O-N 3.09Å
164A34.1Very low44.4Very low81 Ų81133.8 Ų133.867%0.66980%0.8SS**  trans-63146-172.500000113.6V162V162-A164 PolarHBondContact O-N 3.18Å
165D35.8Very low43.5Very low163 Ų163133.7 Ų133.787%0.87280%0.798SS**  -162.1159.2129.9-104.3-16.8000111.2
166P44.2Very low42Very low116 Ų116137.1 Ų137.175%0.75380%0.802SS**PPolyproline II helixtrans-102.4169.4-132.238.3-36.7000116.2
167A34Very low41Very low94 Ų94133.3 Ų133.378%0.77780%0.795SS**PPolyproline II helixtrans-48.2152.3-177.400000117.2
168P42.5Very low39.8Very low128 Ų128134.3 Ų134.383%0.83180%0.795SS**PPolyproline II helixtrans-97.4142.3135.132-26.7000111.2
169A37Very low39.6Very low99 Ų99133.5 Ų133.582%0.81879%0.79SS**PPolyproline II helixtrans-62.7156.4-175.600000114.4
170A33.1Very low39Very low92 Ų92133.9 Ų133.976%0.7679%0.79SS**PPolyproline II helixtrans-63.7139.6178.100000113
171P44.3Very low38.5Very low128 Ų128134.8 Ų134.883%0.83178%0.783SS**PPolyproline II helixtrans-81.4120.6149.529.2-25.8000109.7
172D43.6Very low38.4Very low145 Ų145135.7 Ų135.778%0.77578%0.779SS**PPolyproline II helixtrans-58.1134.3163.6-96.4-43.7000111.3
173Q34.1Very low38.1Very low171 Ų171139.6 Ų139.680%0.79978%0.78SS**  trans44.9110.9148.6-53.7-172.42200120.2
174V45.1Very low38.1Very low154 Ų154136.7 Ų136.793%0.93378%0.776SS**  trans-145.8137.4134.3-1670000110.7
175Q30.8Very low38.9Very low151 Ų151140 Ų14071%0.70678%0.782SS**  trans-89156.4-176.5-138.4175.3-1.200112.2
176F30.1Very low39.6Very low179 Ų179137.5 Ų137.579%0.78578%0.775SS**  trans71134.2151.8-70.9-62.7000123.6
177A32.4Very low40.1Very low87 Ų87139.6 Ų139.672%0.71978%0.779SS**  trans100.5113.913700000120.1
178Q32Very low40.9Very low186 Ų186140.5 Ų140.587%0.86978%0.777SS**  trans53.9128.7138.7-58.4-167.82.100121.3
179S43Very low41.6Very low88 Ų88140.6 Ų140.662%0.61578%0.775SS**  -156.3122.5115.7610000112.7H181S179-H181 PolarHBondContact O-N 3.43Å; S179-H181 PolarHBondContact OG-CD2 3.47Å; S179-H181 VanDerWaalsContact OG-CD2 3.24Å; S179-H181 PolarHBondContact OG-NE2 3.2Å; S179-H181 VanDerWaalsContact OG-NE2 3.1Å
180T37Very low42.6Very low119 Ų119141.1 Ų141.173%0.7377%0.768SS**  trans-76.498.7164.9-45.90000108R182T180-R182 HydrophobicContact CG2-CG 4.39Å; T180-R182 PolarHBondContact O-N 3.25Å
181H42.8Very low43Very low136 Ų136144 Ų14463%0.6377%0.771SS**  trans-85.986.4170.1-76.8-70.6000110.4S179 Y183S179-H181 PolarHBondContact O-N 3.43Å; S179-H181 PolarHBondContact OG-CD2 3.47Å; S179-H181 VanDerWaalsContact OG-CD2 3.24Å; S179-H181 PolarHBondContact OG-NE2 3.2Å; S179-H181 VanDerWaalsContact OG-NE2 3.1Å; H181-Y183 HydrophobicContact CB-CE2 4.13Å; H181-Y183 PolarHBondContact O-N 3.24Å
182R39Very low43.5Very low215 Ų215144.5 Ų144.581%0.81177%0.766SS**  trans-67.4107.5153.5-69-168.3177.8-155.30.5107.2T180 T184T180-R182 HydrophobicContact CG2-CG 4.39Å; T180-R182 PolarHBondContact O-N 3.25Å; R182-T184 PolarHBondContact O-N 3.04Å; R182-T184 VanDerWaalsContact O-N 3.07Å
183Y43.7Very low43.8Very low212 Ų212143.3 Ų143.383%0.83177%0.766SS**  trans-73.896165.5-74.4-83.2000108.6H181 N185H181-Y183 HydrophobicContact CB-CE2 4.13Å; H181-Y183 PolarHBondContact O-N 3.24Å; Y183-N185 PolarHBondContact O-N 3.46Å
184T42.4Very low44.1Very low126 Ų126143 Ų14377%0.77377%0.77SS**  trans-73.4107.715949.10000107.6R182 P186R182-T184 PolarHBondContact O-N 3.04Å; R182-T184 VanDerWaalsContact O-N 3.07Å; T184-P186 VanDerWaalsContact O-CD 3.3Å; T184-P186 WeakPolarHBondContact O-CD 3.41Å
185N51.1Low43.8Very low151 Ų151142.6 Ų142.681%0.80776%0.762SS**  trans-97.5100.2167.4-155.98000107.1Y183 L187Y183-N185 PolarHBondContact O-N 3.46Å; N185-L187 PolarHBondContact O-N 3.13Å
186P49.1Very low44.2Very low110 Ų110140.8 Ų140.871%0.71476%0.761SS**  trans-68.9115.8179.627.3-31.7000109.5T184T184-P186 VanDerWaalsContact O-CD 3.3Å; T184-P186 WeakPolarHBondContact O-CD 3.41Å
187L55.7Low44.6Very low160 Ų160138.6 Ų138.684%0.83876%0.763SS**  trans-60.9138.8167.7-73.7157.3000109.3N185 T189N185-L187 PolarHBondContact O-N 3.13Å; L187-T189 PolarHBondContact O-N 2.94Å
188P49.8Very low44.7Very low113 Ų113139.8 Ų139.873%0.73477%0.766SS**  trans-63.8132.517924.6-31.9000110.9V190P188-V190 PolarHBondContact O-N 3.31Å
189T56.7Low45.2Very low131 Ų131138 Ų13880%0.80477%0.768SS**  trans-62102.8179.9-18.50000110.1L187 N191L187-T189 PolarHBondContact O-N 2.94Å; T189-N191 PolarHBondContact O-N 2.84Å
190V58.7Low44.9Very low110 Ų110137.4 Ų137.467%0.66778%0.775SS**  trans-81.1104167.1-176.10000107.1P188 L192P188-V190 PolarHBondContact O-N 3.31Å; V190-L192 VanDerWaalsContact C-N 3.26Å; V190-L192 HydrophobicContact CB-CD1 4.1Å; V190-L192 HydrophobicContact CG1-CD1 3.5Å; V190-L192 HydrophobicContact CG1-CG 4.06Å; V190-L192 PolarHBondContact O-N 2.77Å
191N41.6Very low44.9Very low153 Ų153138 Ų13882%0.81879%0.785SS**  trans-65.286.4167.3-80.6-26000108.9T189T189-N191 PolarHBondContact O-N 2.84Å
192L55.7Low44.6Very low137 Ų137137.2 Ų137.272%0.71779%0.794SS**  trans-82.6130.5160.6-76.7114.4000108.6V190 N194V190-L192 VanDerWaalsContact C-N 3.26Å; V190-L192 HydrophobicContact CB-CD1 4.1Å; V190-L192 HydrophobicContact CG1-CD1 3.5Å; V190-L192 HydrophobicContact CG1-CG 4.06Å; V190-L192 PolarHBondContact O-N 2.77Å; L192-N194 PolarHBondContact O-N 2.76Å
193P48.8Very low44.6Very low120 Ų120131.2 Ų131.278%0.77979%0.791SS**  trans-63.4127.7-179.624.1-31.7000110.6N195P193-N195 PolarHBondContact O-N 3.09Å
194N40.4Very low44.6Very low165 Ų165127.1 Ų127.188%0.88279%0.793SS**  trans-44.9109.5165.4-74-31.8000110L192L192-N194 PolarHBondContact O-N 2.76Å
195N38.5Very low44.7Very low145 Ų145130.7 Ų130.778%0.77580%0.801SS**  trans-133.698156.9-137.39.7000109.4P193P193-N195 PolarHBondContact O-N 3.09Å
196V39.4Very low44.5Very low114 Ų114129.1 Ų129.169%0.69180%0.802SS**  trans57.5100.2145-69.60000121.1
197T38Very low44Very low133 Ų133130.6 Ų130.682%0.81681%0.809SS**  69.6125.8115.6-23.90000121.5
198S36.4Very low43.5Very low112 Ų112128.7 Ų128.778%0.78381%0.806SS**  trans-73143.4178.2-24.50000115.2
199T42.2Very low43.3Very low149 Ų149129.8 Ų129.891%0.91481%0.813SS**  trans-140.6126.8150.936.90000109.1
200G35.8Very low42.7Very low74 Ų74132.6 Ų132.676%0.76382%0.82SS**  trans-87.1173.6-162.700000116.6
201S37.1Very low42Very low133 Ų133136.1 Ų136.193%0.9383%0.829SS**  trans-164.1134.4142.7-770000109.4
202S36.9Very low42.6Very low118 Ų118137.5 Ų137.583%0.82583%0.83SS**  trans-91.7154-171.643.40000113.8
203A39.1Very low42Very low90 Ų90137.1 Ų137.174%0.74483%0.834SS**  159.7125.8116.500000115.7
204S42.6Very low41.7Very low126 Ų126141.2 Ų141.288%0.88184%0.84SS**  trans54.9122.5140.9550000123
205E46.1Very low42Very low200 Ų200136.7 Ų136.794%0.93583%0.826SS**  trans-121122.4175.5-163.9166.5-179.600110.7
206S45.1Very low42.5Very low118 Ų118137.5 Ų137.583%0.82583%0.83SS**  trans-104.1139.2-173.764.10000113
207T39.5Very low42.6Very low142 Ų142138.2 Ų138.287%0.87184%0.839SS**PPolyproline II helixtrans-84.6143.3-178.75.40000113.3
208P44.5Very low42.9Very low119 Ų119141.5 Ų141.577%0.77384%0.842SS**PPolyproline II helixtrans-91.4151.2-174.233.9-34.8000115.9
209P47Very low43.2Very low136 Ų136144 Ų14488%0.88385%0.847SS**PPolyproline II helixtrans-87.1158.7-176.932.9-34.3000116.8
210M43.8Very low43.1Very low191 Ų191142.1 Ų142.194%0.94184%0.839SS**PPolyproline II helixtrans-72.5158.2-166.6-77.6176.767.200118.5
211Q44.1Very low43.7Very low184 Ų184144.5 Ų144.586%0.8684%0.841SS**PPolyproline II helixtrans-83.3139.2172.6-76.5171.4-33.100113.9
212E53.6Low44.3Very low181 Ų181150.2 Ų150.285%0.84684%0.842SS**  trans-124.1138.1158.3-79.3-171.5166.900110.5
213T44Very low44.8Very low130 Ų130153.2 Ų153.280%0.79884%0.844SS**  trans-106120.9-167.4-60.30000109.8
214F40.7Very low44.6Very low205 Ų205156.3 Ų156.390%0.89984%0.842SS**  trans-93.5108175.4-74-86.7000110.9
215A48.7Very low44.5Very low71 Ų71157.6 Ų157.659%0.58784%0.839SS**  trans-123.332.5-179.100000113.8
216D48.2Very low44.5Very low162 Ų162154.5 Ų154.587%0.86683%0.834SS**  trans-126.942.1-170.7-77.5-29.2000115.6
217C41.8Very low44.2Very low129 Ų129157.3 Ų157.387%0.87283%0.831SS**  trans-122.319.4172.9-660000114.8D219C217-D219 VanDerWaalsContact C-N 3.33Å; C217-D219 PolarHBondContact O-N 3.47Å
218F44.1Very low44.1Very low201 Ų201159.3 Ų159.388%0.88283%0.831SS**  trans-87.767.8173.8-72.9-78.4000111.6
219D43.4Very low43.8Very low166 Ų166163.4 Ų163.489%0.88884%0.84SS**  trans-82.3131.2165.7-98.1-31.2000111C217C217-D219 VanDerWaalsContact C-N 3.33Å; C217-D219 PolarHBondContact O-N 3.47Å
220S40Very low43.6Very low109 Ų109161 Ų16176%0.76284%0.839SS**  trans-60.7149.4-164.6-76.90000116.3R222S220-R222 PolarHBondContact O-N 3.41Å
221P48.5Very low43.3Very low123 Ų123159.3 Ų159.380%0.79983%0.833SS**  trans-76.7111.8-175.729.5-33.2000112.9
222R48.1Very low43Very low253 Ų253157.6 Ų157.696%0.95583%0.83SS**  trans-77.9131.6165.8-85.6-175168.3-150.8-0.8110.6S220S220-R222 PolarHBondContact O-N 3.41Å
223Q47.3Very low42.4Very low182 Ų182157.9 Ų157.985%0.8583%0.831SS**  trans-81.1144-168.9-62.7175.8-36.300114.5
224H36.3Very low42.3Very low155 Ų155156.6 Ų156.672%0.71883%0.825SS**  trans26.2117.4137.4-79.1-104.5000120.3
225N39.4Very low42.3Very low152 Ų152153.5 Ų153.581%0.81382%0.818SS**  162.284.3123.2-84.6-19.9000111.5
226V45.6Very low42.1Very low136 Ų136154.4 Ų154.482%0.82483%0.825SS**  trans-143.348.6165.6-1590000111.7
227F40.1Very low41.6Very low176 Ų176156.7 Ų156.777%0.77282%0.823SS**  trans-13667.4169-83.2-77.3000110.9Y290F227-Y290 WeakPolarHBondContact CE2-OH 3.3Å; F227-Y290 HydrophobicContact CZ-CE2 4.34Å
228Q37.3Very low42.1Very low185 Ų185156.7 Ų156.786%0.86482%0.819SS**  trans-144.787.8158.4-83.7-175.53.400108
229Q38.6Very low42.2Very low205 Ų205155.5 Ų155.596%0.95882%0.816SS**  trans173.3119.1149.3-97.2165.326.800109.8
230G41.2Very low42.7Very low84 Ų84156.1 Ų156.187%0.86682%0.816SS**  trans152.358.8173.700000114.1
231L39.3Very low43.2Very low157 Ų157159.5 Ų159.582%0.82282%0.819SS**  trans-75155167.1-82.4151.1000110.8
232D37.9Very low43.3Very low147 Ų147159.3 Ų159.379%0.78682%0.821SS**  trans78.796.4156.5-52.8-27.5000120.2
233Q39.1Very low43.2Very low188 Ų188157.4 Ų157.488%0.87982%0.815SS**  trans-147.3121.4145.1-95.8-88-7.800108.5
234P42.2Very low43.1Very low102 Ų102153.6 Ų153.666%0.66281%0.809SS**  trans-94.5153.7-167.336.3-34.5000114.7A236P234-A236 PolarHBondContact O-N 3.09Å
235D41.1Very low44Very low141 Ų141151.2 Ų151.275%0.75481%0.807SS**  trans29.771.8148.6-59.6-25.4000118.6Y237D235-Y237 HydrophobicContact CB-CE2 4.36Å
236A43.9Very low44.5Very low89 Ų89149.4 Ų149.474%0.73681%0.807SS**  trans-93.993.8157.300000109.1P234 V238P234-A236 PolarHBondContact O-N 3.09Å; A236-V238 VanDerWaalsContact C-N 3.33Å; A236-V238 PolarHBondContact O-N 3.08Å
237Y39.1Very low44.5Very low211 Ų211147.4 Ų147.483%0.82780%0.804SS**  trans-55.392.8163.6-74.3-96.4000109.7D235 Q239D235-Y237 HydrophobicContact CB-CE2 4.36Å; Y237-Q239 PolarHBondContact O-N 3.12Å
238V50.8Low45Very low129 Ų129143.5 Ų143.578%0.78281%0.805SS**  trans-83.197.7166.1-176.50000107A236 M240A236-V238 VanDerWaalsContact C-N 3.33Å; A236-V238 PolarHBondContact O-N 3.08Å; V238-M240 PolarHBondContact O-N 3.3Å
239Q47.9Very low45.3Very low176 Ų176144.2 Ų144.282%0.82281%0.805SS**  trans-49117170.8-162.6170.13.400109.3Y237 E241Y237-Q239 PolarHBondContact O-N 3.12Å; Q239-E241 PolarHBondContact O-N 3.19Å; Q239-E241 VanDerWaalsContact O-N 3.11Å
240M53.5Low45.7Very low179 Ų179143.8 Ų143.888%0.88280%0.8SS**  trans-72.8101.4176.9-66.5-139-64.600109.1V238 S242V238-M240 PolarHBondContact O-N 3.3Å; M240-S242 PolarHBondContact O-N 3.47Å
241E50.2Low46.2Very low179 Ų179144.1 Ų144.184%0.83679%0.787SS**  trans-68.8115.7161.9-73174.1170.500107.9Q239 Y243Q239-E241 PolarHBondContact O-N 3.19Å; Q239-E241 VanDerWaalsContact O-N 3.11Å; E241-Y243 PolarHBondContact O-N 3.34Å
242S49.5Very low46.7Very low119 Ų119143.1 Ų143.183%0.83278%0.782SS**  trans-62.592178.617.10000110M240 S244M240-S242 PolarHBondContact O-N 3.47Å; S242-S244 PolarHBondContact O-N 3.2Å
243Y48Very low46.9Very low214 Ų214147.3 Ų147.384%0.83979%0.787SS**  trans-69.5100.5171.6-163.8-94.9000109.1E241 P245E241-Y243 PolarHBondContact O-N 3.34Å; Y243-P245 WeakPolarHBondContact O-CD 3.28Å
244S44.2Very low47.3Very low102 Ų102142.1 Ų142.171%0.71377%0.771SS**  trans-86.3114172.2-168.50000108.8S242 S246S242-S244 PolarHBondContact O-N 3.2Å; S244-S246 PolarHBondContact O-N 2.83Å
245P54.1Low47.1Very low104 Ų104140.6 Ų140.668%0.67577%0.774SS**  trans-66.7106.4174.825.5-30.5000108.9Y243 A247Y243-P245 WeakPolarHBondContact O-CD 3.28Å; P245-A247 PolarHBondContact O-N 2.99Å
246S50.6Low46.8Very low115 Ų115141.7 Ų141.780%0.80478%0.78SS**  trans-54.1130.6168.6-175.10000108.8S244 A248S244-S246 PolarHBondContact O-N 2.83Å; S246-A248 PolarHBondContact O-N 3.01Å
247A46.2Very low46.6Very low94 Ų94146.8 Ų146.878%0.77779%0.789SS**  trans-53.999.9-177.500000110.3P245 K249P245-A247 PolarHBondContact O-N 2.99Å; A247-K249 PolarHBondContact O-N 2.9Å
248A49.5Very low46.8Very low94 Ų94142.1 Ų142.178%0.77779%0.787SS**  trans-58.4116.3170.700000107S246 K250S246-A248 PolarHBondContact O-N 3.01Å; A248-K250 PolarHBondContact O-N 2.83Å; A248-K250 VanDerWaalsContact O-N 3.11Å
249K44.8Very low46.2Very low200 Ų200140.2 Ų140.287%0.8779%0.785SS**  trans-42.4120.1174.4-83.9175.5171.5177.90108.9A247 P251A247-K249 PolarHBondContact O-N 2.9Å; K249-P251 WeakPolarHBondContact O-CD 3.03Å
250K46.4Very low46.1Very low196 Ų196138.1 Ų138.185%0.85279%0.786SS**  trans-52.2122.8167.4-64.9-180179.6-179.10107.1A248 N252A248-K250 PolarHBondContact O-N 2.83Å; A248-K250 VanDerWaalsContact O-N 3.11Å; K250-N252 PolarHBondContact O-N 2.88Å; K250-N252 VanDerWaalsContact O-N 3.1Å
251P52.1Low45.1Very low91 Ų91138.3 Ų138.359%0.59179%0.787SS**  trans-60.7118.8173.122.3-29.9000108.1K249 W253K249-P251 WeakPolarHBondContact O-CD 3.03Å; P251-W253 PolarHBondContact O-N 2.73Å; P251-W253 VanDerWaalsContact O-N 3.14Å
252N50Low44.5Very low136 Ų136137.1 Ų137.173%0.72779%0.787SS**  trans-76.394175.1-17523.5000107.7K250 S254K250-N252 PolarHBondContact O-N 2.88Å; K250-N252 VanDerWaalsContact O-N 3.1Å; N252-S254 PolarHBondContact ND2-OG 3.14Å; N252-S254 VanDerWaalsContact ND2-OG 3.11Å; N252-S254 PolarHBondContact O-N 3.21Å; N252-S254 PolarHBondContact OD1-OG 3.03Å
253W42.9Very low44Very low234 Ų234136.5 Ų136.589%0.88678%0.783SS**  trans-81.859.6173.1-60.291.3000109.7P251P251-W253 PolarHBondContact O-N 2.73Å; P251-W253 VanDerWaalsContact O-N 3.14Å
254S46.8Very low43.4Very low79 Ų79134.6 Ų134.655%0.55278%0.781SS**  trans-97.7108.2168.661.90000108.9N252N252-S254 PolarHBondContact ND2-OG 3.14Å; N252-S254 VanDerWaalsContact ND2-OG 3.11Å; N252-S254 PolarHBondContact O-N 3.21Å; N252-S254 PolarHBondContact OD1-OG 3.03Å
255G37.1Very low43.4Very low70 Ų70136.5 Ų136.572%0.72279%0.788SS**SBendtrans83.9111.4155.400000116.9
256D35.1Very low42.4Very low164 Ų164141.4 Ų141.488%0.87780%0.795SS**  trans28.9100142.6-70.1-31.9000118.3
257E40.1Very low41.9Very low197 Ų197140.8 Ų140.892%0.92179%0.79SS**  trans-159.5137.3135.4-111.7172.9-167.600111
258S42.7Very low41.5Very low112 Ų112139 Ų13978%0.78378%0.781SS**PPolyproline II helixtrans-60.9132.9-166.243.40000114.6
259A37.9Very low40.9Very low89 Ų89143 Ų14374%0.73678%0.781SS**PPolyproline II helixtrans-51.9124.8174.400000111.9M261A259-M261 PolarHBondContact O-N 3.27Å; A259-M261 VanDerWaalsContact O-N 3.12Å
260P45.5Very low40.8Very low132 Ų132140 Ų14086%0.85778%0.778SS**PPolyproline II helixtrans-66.7116.9170.925.3-30.3000109.2
261M34.5Very low40.5Very low183 Ų183138.5 Ų138.590%0.90178%0.775SS**PPolyproline II helixtrans-53.8151.9164.7-77-120.5158.600111.4A259A259-M261 PolarHBondContact O-N 3.27Å; A259-M261 VanDerWaalsContact O-N 3.12Å
262N36Very low39.8Very low154 Ų154141.4 Ų141.482%0.82479%0.785SS**  trans95.683.6161.4-136.81.5000115.9Q264N262-Q264 PolarHBondContact O-N 2.8Å
263S39.5Very low38.9Very low107 Ų107142 Ų14275%0.74879%0.788SS**  trans-52.4127.1162.149.50000111.5
264Q36.5Very low38.6Very low174 Ų174138.1 Ų138.181%0.81379%0.785SS**  trans-48129.8171.8-67.8175.8-37.200112.9N262 Y266N262-Q264 PolarHBondContact O-N 2.8Å; Q264-Y266 PolarHBondContact O-N 2.72Å
265V42.5Very low38.2Very low141 Ų141142.3 Ų142.386%0.85580%0.8SS**  trans-72.797.8157.6179.50000107.1S267V265-S267 PolarHBondContact O-N 2.82Å
266Y34.2Very low37.9Very low208 Ų208142.2 Ų142.282%0.81680%0.799SS**  trans-78.393.8173.4-161.3-94.4000109.1Q264Q264-Y266 PolarHBondContact O-N 2.72Å
267S39.7Very low38Very low101 Ų101143.7 Ų143.771%0.70680%0.801SS**  trans-103.576.2169.1178.70000109.5V265 K269V265-S267 PolarHBondContact O-N 2.82Å; S267-K269 PolarHBondContact O-N 3.4Å
268G37.9Very low37.7Very low56 Ų56139.4 Ų139.458%0.57780%0.799SS**  trans-76.593169.700000110.8
269K37.8Very low37.4Very low179 Ų179145.3 Ų145.378%0.77880%0.804SS**  trans-87.8101.7155-72.6-148.8177.2-170.80107.3S267 E271S267-K269 PolarHBondContact O-N 3.4Å; K269-E271 PolarHBondContact O-N 3.27Å
270V40.9Very low37.3Very low136 Ų136146.1 Ų146.182%0.82481%0.81SS**  trans-86.496.3167.2174.20000105.7
271E41.1Very low36.6Very low166 Ų166142.7 Ų142.778%0.77680%0.799SS**  trans-74.8148.5165-75.8176.6168.100109.6K269K269-E271 PolarHBondContact O-N 3.27Å
272D37.3Very low36.6Very low151 Ų151145.3 Ų145.381%0.80780%0.801SS**  trans-66.8145-158.1-68.8-68.5000115.8
273N31.8Very low36.4Very low148 Ų148142.9 Ų142.979%0.79180%0.795SS**  trans-31.4124.7161-64.6-76.2000115.2
274D36.2Very low36.4Very low153 Ų153143.9 Ų143.982%0.81880%0.797SS**  trans-141.4127.4144.2-99.1-33.9000110.5
275L38.7Very low36.4Very low167 Ų167146.2 Ų146.287%0.87480%0.799SS**SBendtrans77.592.3157.5-59.2154.5000119.1
276G30.5Very low36Very low68 Ų68148 Ų14870%0.70180%0.797SS**  86.174.8119.100000119.4
277H35.9Very low36.2Very low196 Ų196149.9 Ų149.991%0.90780%0.803SS**  trans-134.987.1148.3-79.5-57.8000111.4R279H277-R279 PolarHBondContact O-N 2.89Å; H277-R279 VanDerWaalsContact O-N 3.13Å
278A35Very low36.3Very low107 Ų107149.4 Ų149.488%0.88480%0.799SS**  trans-7189.8159.900000109.6
279R36.7Very low36.3Very low236 Ų236155.6 Ų155.689%0.89181%0.814SS**SBendtrans-169.2117149.3-146.7169.5176-167.4-2.7111.3H277H277-R279 PolarHBondContact O-N 2.89Å; H277-R279 VanDerWaalsContact O-N 3.13Å
280A35.3Very low36.2Very low105 Ų105155.2 Ų155.287%0.86881%0.808SS**SBendtrans56.6106154.900000118
281G31.3Very low36.2Very low60 Ų60153 Ų15362%0.61981%0.805SS**SBendtrans131.198.7150.700000114
282Y33.7Very low36Very low239 Ų239147.3 Ų147.394%0.93779%0.79SS**  trans70.560.1153.8-47.6-77.9000117
283S32.2Very low36.2Very low102 Ų102151 Ų15171%0.71380%0.795SS**  trans-95.3102.6151.3-179.80000108.8R285S283-R285 PolarHBondContact O-N 2.8Å
284T38.7Very low36.5Very low128 Ų128150.7 Ų150.779%0.78579%0.788SS**  trans-29.997.1158.530.40000113
285R37.4Very low36.9Very low224 Ų224153 Ų15385%0.84579%0.794SS**  trans-108.893.1159.9-72.2-168.9-177-170.11.6109.1S283 R287S283-R285 PolarHBondContact O-N 2.8Å; R285-R287 PolarHBondContact O-N 3.05Å
286H34.4Very low37.4Very low178 Ų178149.2 Ų149.282%0.82480%0.795SS**  trans28.788.4144.1-58.1-82.8000115.9
287R38.6Very low37.8Very low248 Ų248148.8 Ų148.894%0.93679%0.79SS**  trans-10091.8149.8-158.8174.2-167.3-164.73.1107.5R285R285-R287 PolarHBondContact O-N 3.05Å
288S41.7Very low38.7Very low90 Ų90146.9 Ų146.963%0.62979%0.785SS**  trans-11124.3165-34.20000114.1Y290S288-Y290 VanDerWaalsContact C-N 3.3Å; S288-Y290 PolarHBondContact O-N 3.11Å
289E36.5Very low39.8Very low187 Ų187147.1 Ų147.187%0.87478%0.778SS**  trans-27.694.2145.7-64.4164.9-177.300110.4A291E289-A291 PolarHBondContact O-N 3.1Å
290Y37.4Very low40.1Very low170 Ų170146.6 Ų146.667%0.66778%0.778SS**  trans-79.575.1160.4-121.2-92.1000105.8F227 S288 G292F227-Y290 WeakPolarHBondContact CE2-OH 3.3Å; F227-Y290 HydrophobicContact CZ-CE2 4.34Å; S288-Y290 VanDerWaalsContact C-N 3.3Å; S288-Y290 PolarHBondContact O-N 3.11Å; Y290-G292 PolarHBondContact O-N 3.48Å
291A40.4Very low40.9Very low91 Ų91145.8 Ų145.875%0.75276%0.763SS**  trans-63.572.5158.300000107.8E289E289-A291 PolarHBondContact O-N 3.1Å
292G36.9Very low41.9Very low46 Ų46146.5 Ų146.547%0.47476%0.757SS.*  trans-115.67.3173.900000112.4Y290 H294Y290-G292 PolarHBondContact O-N 3.48Å; G292-H294 PolarHBondContact O-N 3.11Å
293Y40.9Very low43.2Very low229 Ų229141.1 Ų141.190%0.89875%0.751SS**  trans-69.271.5162-69-82.6000108.5Q295Y293-Q295 PolarHBondContact O-N 3.34Å
294H38.6Very low44.3Very low140 Ų140142 Ų14265%0.64874%0.744SS**  trans-64.1100.4154.3-78.8-69.7000106.4G292 G296 G297G292-H294 PolarHBondContact O-N 3.11Å; H294-G296 PolarHBondContact O-N 3.16Å; H294-G297 PolarHBondContact O-N 3.36Å
295Q44.9Very low44.4Very low203 Ų203145.3 Ų145.395%0.94974%0.742SS**THydrogen-bonded Turntrans-14.994151-161.2166.818.800111.3Y293Y293-Q295 PolarHBondContact O-N 3.34Å
296G48.4Very low44.6Very low87 Ų87141.7 Ų141.790%0.89774%0.74SS**THydrogen-bonded Turntrans101.83173.700000118.9H294H294-G296 PolarHBondContact O-N 3.16Å
297G40Very low45Very low58 Ų58141.5 Ų141.560%0.59874%0.739SS**  trans-98.2115.2179.300000113.5H294H294-G297 PolarHBondContact O-N 3.36Å
298I53.6Low44.9Very low157 Ų157133.2 Ų133.281%0.80573%0.731SS**PPolyproline II helixtrans-49.7135.6172.2-61.2162.9000109.6Y300I298-Y300 PolarHBondContact O-N 3.38Å
299P57.4Low44.8Very low112 Ų112134.6 Ų134.673%0.72774%0.735SS**PPolyproline II helixtrans-55.9127.2177.422-32.8000110.2
300Y43.4Very low44.6Very low225 Ų225131.5 Ų131.588%0.88273%0.734SS**PPolyproline II helixtrans-54.5127.5167.9-86.8-89.7000108.5I298I298-Y300 PolarHBondContact O-N 3.38Å
301P52.8Low44.5Very low88 Ų88134.2 Ų134.257%0.57175%0.745SS**PPolyproline II helixtrans-63.3144.6173.425.9-31.9000109.3
302P52.4Low44.1Very low75 Ų75135.8 Ų135.849%0.48775%0.75SS.*PPolyproline II helixtrans-58.2150.8-176.621.8-31.9000111.7H304 W305P302-H304 PolarHBondContact O-N 3.23Å; P302-W305 PolarHBondContact O-N 3.21Å
303P60Low43.9Very low126 Ų126136.9 Ų136.982%0.81876%0.762SS**G310 helixtrans-59.2-11.7-165.2-25.133.3000117.1
304H55.8Low43.6Very low121 Ų121134 Ų13456%0.5676%0.757SS**G310 helixtrans-86.7-2.5-175.971.2-85.4000114.3P302 N306P302-H304 PolarHBondContact O-N 3.23Å; H304-N306 VanDerWaalsContact C-N 3.33Å
305W41.5Very low43.4Very low197 Ų197137.7 Ų137.775%0.74677%0.765SS**G310 helixtrans-87.14.3176.6-85.327.4000114.8P302 H307P302-W305 PolarHBondContact O-N 3.21Å; W305-H307 VanDerWaalsContact C-N 3.33Å; W305-H307 PolarHBondContact O-N 3.11Å
306N42Very low42.8Very low147 Ų147133.6 Ų133.679%0.78676%0.759SS**  trans-8868.4168-86.3-20.1000111.5H304H304-N306 VanDerWaalsContact C-N 3.33Å
307H42.4Very low41.8Very low175 Ų175141.5 Ų141.581%0.8176%0.761SS**  trans-115.662.1160.8-69.1-53.3000109.9W305W305-H307 VanDerWaalsContact C-N 3.33Å; W305-H307 PolarHBondContact O-N 3.11Å
308G36.7Very low41.5Very low74 Ų74143.7 Ų143.776%0.76377%0.767SS**  trans-120.264170.400000110.6
309T39Very low40.6Very low119 Ų119141.2 Ų141.273%0.7376%0.764SS**  trans-139.1108.8162290000109.7Y311T309-Y311 PolarHBondContact O-N 3.26Å
310S32.5Very low39.6Very low122 Ų122139.8 Ų139.885%0.85376%0.757SS**  trans-52.8118.1171.5-47.50000111.5
311Y34.7Very low38.9Very low227 Ų227132.6 Ų132.689%0.8974%0.736SS**  trans-110.496158.5-88.4-85.1000108.6T309 G313T309-Y311 PolarHBondContact O-N 3.26Å; Y311-G313 PolarHBondContact O-N 2.89Å; Y311-G313 VanDerWaalsContact O-N 3.16Å
312S32.3Very low38Very low123 Ų123134.3 Ų134.386%0.8674%0.741SS**  trans-74.390.2161.951.50000108.2
313G32.4Very low37.1Very low70 Ų70136.2 Ų136.272%0.72275%0.751SS**  trans-109.2104.5171.500000110.1Y311Y311-G313 PolarHBondContact O-N 2.89Å; Y311-G313 VanDerWaalsContact O-N 3.16Å
314Q34.4Very low35.8Very low168 Ų168135.8 Ų135.879%0.78575%0.746SS**  trans-63.9143.2173.5-72.9-179.8-46.500112.1
315R34.3Very low34.9Very low218 Ų218136.4 Ų136.482%0.82375%0.754SS**  trans52123140.8-61174.4175.6-122.80.2116.1
316S32.9Very low34.5Very low117 Ų117132 Ų13282%0.81875%0.752SS**  -168.213963.6-62.80000110.8
317R26.7Very low34.4Very low252 Ų252130.1 Ų130.195%0.95175%0.751SS**  trans-82.5148.6171.7-73.6167.9146.7-177.2-8.6110.7
318S33.5Very low34.2Very low104 Ų104126.6 Ų126.673%0.72775%0.746SS**  trans-144.1110.8145.938.20000105
319S34.9Very low34.3Very low106 Ų106135 Ų13574%0.74176%0.755SS**  56.1123.380.479.50000110.2
320S36.7Very low34Very low81 Ų81134.1 Ų134.157%0.56675%0.754SS**  cis172.3160.236-158.20000108.1
321T29.8Very low34.3Very low74 Ų74138.8 Ų138.845%0.45475%0.754SS.*  trans65.7145.5141.454.60000117K68K68-T321 VanDerWaalsContact CE-OG1 3.26Å; K68-T321 WeakPolarHBondContact CE-OG1 3.37Å; K68-T321 PolarHBondContact NZ-OG1 3.04Å; K68-T321 VanDerWaalsContact NZ-OG1 3.16Å
322D32.3Very low34.3Very low125 Ų125136.2 Ų136.267%0.66875%0.75SS**  cis-167.7170.3-7.1-80.6-35.600099.4
323V34.9Very low34.5Very low114 Ų114138.8 Ų138.869%0.69175%0.749SS**  cis179.9147.741.6-154.70000103.3
324T33.1Very low34.6Very low118 Ų118144.5 Ų144.572%0.72476%0.757SS**  trans62.4143141.449.80000120.3
325D35.6Very low35.1Very low134 Ų134141.9 Ų141.972%0.71776%0.757SS**  cis-179.1160.5-13.5-144.3-43.9000104.9
326S32.6Very low35.1Very low103 Ų103139.1 Ų139.172%0.7276%0.758SS**  trans72.594.5144-62.90000119.5
327S40.7Very low35.3Very low108 Ų108137.4 Ų137.476%0.75575%0.751SS**  -16885.8119.9-169.70000108.5
328S37.3Very low35.8Very low102 Ų102131.8 Ų131.871%0.71374%0.738SS**  65.999.397.468.50000115.2
329R39.5Very low36Very low249 Ų249136.6 Ų136.694%0.9474%0.741SS**  -165.5119.3125.9-130.1166.6173.6172.7-4.7113.1
330S33Very low36.1Very low102 Ų102137.3 Ų137.371%0.71375%0.746SS**  trans-58.3140.7164.848.20000114.1
331Y38.2Very low36Very low220 Ų220142.6 Ų142.686%0.86376%0.755SS**  -170.4129.1113.8-132.4-106.3000110.2
332E34.5Very low36.3Very low173 Ų173144.3 Ų144.381%0.80877%0.77SS**  trans-77.8175.2166.8-76.3169127.400111.2
333E37.9Very low36.6Very low176 Ų176143.4 Ų143.482%0.82278%0.78SS**  trans76.9110.4169.2-75.1177.8150.400117
334Q33.9Very low36.6Very low191 Ų191142.5 Ų142.589%0.89379%0.785SS**  54.490.854.8-64.6-168.8-27.500114.7
335S45.1Very low37Very low112 Ų112142.6 Ų142.678%0.78379%0.79SS**  trans-14998145.432.40000105.4
336D34Very low37.4Very low160 Ų160141.2 Ų141.286%0.85679%0.788SS**  45.2115.296-88.5-20.4000114.3
337A37.5Very low37.6Very low81 Ų81147 Ų14767%0.66980%0.796SS**  84.8105129.900000119.7
338M36.9Very low37.3Very low135 Ų135150.6 Ų150.667%0.66580%0.801SS**  86.3139.1117.6-57.7-78.8-78.100120
339Y38.5Very low37.4Very low204 Ų204152.8 Ų152.880%0.880%0.804SS**  trans90.587.1154.8-54.6-70.1000117.7
340S35.5Very low37.5Very low122 Ų122149.3 Ų149.385%0.85380%0.796SS**  trans-129.4105.9136-1250000108.5
341Y34.9Very low37.7Very low192 Ų192151.1 Ų151.175%0.75379%0.793SS**  trans-149.4148.1160.2-117.3-84.8000110E102E102-Y341 PolarHBondContact OE1-OH 3.02Å
342S37.6Very low37.5Very low110 Ų110146.2 Ų146.277%0.76979%0.786SS**  trans86.479161.2-48.60000115.9
343A37.1Very low37.5Very low106 Ų106145.9 Ų145.988%0.87679%0.785SS**  trans-83.1139.9142.600000109.9
344A35Very low37.3Very low95 Ų95144.8 Ų144.879%0.78578%0.778SS**  trans-87.3145.9175.600000111.3
345S43Very low37.4Very low119 Ų119141.6 Ų141.683%0.83277%0.771SS**  trans-42.8135.7171.7-44.50000112.3
346P42Very low37.2Very low106 Ų106141 Ų14169%0.68877%0.765SS**  -158157.880.637.4-17.7000115.1
347Y37.7Very low37.3Very low225 Ų225140.4 Ų140.488%0.88276%0.761SS**  trans174.387137.3-96.3-70.6000108.3
348Q35.1Very low37.1Very low182 Ų182143.2 Ų143.285%0.8577%0.765SS**  trans-78.6124.2156.1-75.8-172-27.500106.4
349D38Very low38Very low148 Ų148141.6 Ų141.679%0.79177%0.765SS**  trans-170.7141.4141.2-102.3-23.4000112.6
350K43.1Very low38Very low176 Ų176139.2 Ų139.277%0.76577%0.765SS**  trans91.874158.6-38.7-157.5-176-177.80117.7
351Q35.9Very low38.2Very low140 Ų140141.6 Ų141.665%0.65477%0.768SS**  trans-95103.1136.5-68.2-160.8-38.900109.1E110E110-Q351 VanDerWaalsContact CG-NE2 3.34Å; E110-Q351 PolarHBondContact OE2-NE2 3.02Å; E110-Q351 PolarHBondContact OE2-OE1 3.27Å
352T34.3Very low38.1Very low117 Ų117137.2 Ų137.272%0.71877%0.765SS**  trans-122.3148.4162.1-34.20000105.6
353E34Very low38.1Very low166 Ų166143.2 Ų143.278%0.77677%0.771SS**  trans96130.9178.4-58.6-160.2121.700114.1
354F33.8Very low38Very low154 Ų154144 Ų14468%0.67577%0.767SS**  cis-160.9143.46.9-142.5-116000107P356F354-P356 HydrophobicContact CD1-CB 4.15Å; F354-P356 HydrophobicContact CD1-CG 4.31Å; F354-P356 WeakPolarHBondContact O-CD 3.41Å
355V36Very low38.2Very low123 Ų123145.8 Ų145.875%0.74577%0.769SS**  trans-94.9111.4155.5173.40000106.6
356P42.1Very low37.9Very low101 Ų101145.5 Ų145.566%0.65676%0.764SS**  trans-104.7111.7159.829.9-18.4000110.2F354F354-P356 HydrophobicContact CD1-CB 4.15Å; F354-P356 HydrophobicContact CD1-CG 4.31Å; F354-P356 WeakPolarHBondContact O-CD 3.41Å
357N36.5Very low37.6Very low146 Ų146145.3 Ų145.378%0.78177%0.772SS**  trans-49.3128.6165.8-64.6-67.2000112.1
358N32.6Very low37.8Very low141 Ų141141 Ų14175%0.75477%0.768SS**  trans-126.2106.9152.6-150.50.1000109.9L360N358-L360 PolarHBondContact O-N 2.99Å; N358-L360 VanDerWaalsContact O-N 3.14Å
359P55.5Low37.9Very low101 Ų101137.4 Ų137.466%0.65676%0.763SS**  trans-88.953.3-164.535.4-36.9000114.8
360L38.9Very low37.9Very low154 Ų154136.5 Ų136.581%0.80676%0.763SS**  trans-103.65.8175.2-77.3167000115.2N358 S362N358-L360 PolarHBondContact O-N 2.99Å; N358-L360 VanDerWaalsContact O-N 3.14Å; L360-S362 PolarHBondContact O-N 3.36Å
361D38.5Very low37.8Very low171 Ų171133.6 Ų133.691%0.91477%0.765SS**  trans-7526.5167.3-94.9-22.4000113.9
362S34.6Very low37.9Very low100 Ų100133.6 Ų133.670%0.69977%0.77SS**  trans-121.958.9-176.3-52.90000113.1L360L360-S362 PolarHBondContact O-N 3.36Å
363R36Very low37.4Very low237 Ų237137.7 Ų137.789%0.89477%0.773SS**  trans-152.2120.5149.9-136.9173.9-174.3-156.60.9112.9
364P36.2Very low37.6Very low122 Ų122135.4 Ų135.479%0.79277%0.773SS**PPolyproline II helixtrans-77.9126.5-173.830.3-33.4000111.5
365T37.4Very low37.8Very low133 Ų133133.9 Ų133.982%0.81678%0.776SS**PPolyproline II helixtrans-74.8137.3155.138.30000109.2
366P37.7Very low38Very low113 Ų113138.7 Ų138.773%0.73478%0.781SS**PPolyproline II helixtrans-67.2143.6-159.425.2-34.3000113.5V368P366-V368 PolarHBondContact O-N 3.39Å
367A36.8Very low37.8Very low102 Ų102137 Ų13784%0.84378%0.782SS**  trans-51.4111.3170.100000110.3S369A367-S369 PolarHBondContact O-N 3.12Å; A367-S369 VanDerWaalsContact O-N 3.13Å
368V40.1Very low38.1Very low134 Ų134136.7 Ų136.781%0.81278%0.78SS**  trans-67.2111.2166.1-178.10000106.3P366 T370P366-V368 PolarHBondContact O-N 3.39Å; V368-T370 PolarHBondContact O-N 3.08Å; V368-T370 VanDerWaalsContact O-N 3.13Å
369S37.9Very low38.6Very low107 Ų107135.9 Ų135.975%0.74879%0.785SS**  trans-57116.3175.3-177.20000109.4A367 S371A367-S369 PolarHBondContact O-N 3.12Å; A367-S369 VanDerWaalsContact O-N 3.13Å; S369-S371 VanDerWaalsContact C-N 3.33Å; S369-S371 PolarHBondContact O-N 3.09Å
370T37.1Very low37.8Very low129 Ų129142.1 Ų142.179%0.79180%0.797SS**  trans-66.791.1169.845.50000109V368V368-T370 PolarHBondContact O-N 3.08Å; V368-T370 VanDerWaalsContact O-N 3.13Å
371S42Very low37.8Very low115 Ų115138.7 Ų138.780%0.80479%0.787SS**  trans-73.9125.8162.6176.40000109.2S369S369-S371 VanDerWaalsContact C-N 3.33Å; S369-S371 PolarHBondContact O-N 3.09Å
372N37.2Very low38.5Very low140 Ų140136.2 Ų136.275%0.74978%0.78SS**  trans-58.6132.4-173.8-66.7-52.8000114.1
373Y25.4Very low39.2Very low203 Ų203136.1 Ų136.180%0.79678%0.779SS**  trans13.7143.6148.2-74.5-86.8000120.6V375Y373-V375 HydrophobicContact CD1-CG2 4.08Å; Y373-V375 HydrophobicContact CE1-CG2 3.9Å
374P36.8Very low39.7Very low117 Ų117133.9 Ų133.976%0.7678%0.776SS**  cis-130.9140.640.935.4-17.7000116.2R376P374-R376 PolarHBondContact O-N 3.22Å; P374-R376 VanDerWaalsContact O-N 3.15Å
375V37.7Very low40.1Very low122 Ų122139.1 Ų139.174%0.73978%0.78SS**  trans-66103.4168.4177.70000108.8Y373Y373-V375 HydrophobicContact CD1-CG2 4.08Å; Y373-V375 HydrophobicContact CE1-CG2 3.9Å
376R42Very low40.6Very low224 Ų224138.4 Ų138.485%0.84578%0.777SS**  trans-90.5103.3155.2-88-172.4178.9-155.50.4107.3P374 D378P374-R376 PolarHBondContact O-N 3.22Å; P374-R376 VanDerWaalsContact O-N 3.15Å; R376-D378 PolarHBondContact O-N 3.15Å
377G37.6Very low41.3Very low66 Ų66137.5 Ų137.568%0.6878%0.78SS**  trans-73.399.4171.500000109.8
378D43.2Very low41.9Very low140 Ų140142.6 Ų142.675%0.74978%0.783SS**  trans-123.3109.3159.8-73.6-45.7000107.9R376 Y380R376-D378 PolarHBondContact O-N 3.15Å; D378-Y380 PolarHBondContact O-N 3.41Å
379S41.9Very low42.3Very low123 Ų123145.2 Ų145.286%0.8679%0.786SS**  trans-62.8111.8-177.9290000111.6S381S379-S381 PolarHBondContact O-N 3.35Å; S379-S381 VanDerWaalsContact O-N 3.13Å
380Y39.8Very low43.2Very low232 Ų232143.9 Ų143.991%0.9178%0.782SS**  trans-76.694.8172.7-140.5-94.2000109.4D378 P382D378-Y380 PolarHBondContact O-N 3.41Å; Y380-P382 WeakPolarHBondContact O-CD 2.99Å
381S38.7Very low44Very low83 Ų83143.7 Ų143.758%0.5878%0.783SS**  trans-82.1119.7174.6-177.20000110.7S379 S383S379-S381 PolarHBondContact O-N 3.35Å; S379-S381 VanDerWaalsContact O-N 3.13Å; S381-S383 PolarHBondContact O-N 3.4Å; S381-S383 VanDerWaalsContact O-N 3.1Å; S381-S383 PolarHBondContact OG-OG 3.49Å
382P53.3Low44.8Very low119 Ų119146.5 Ų146.577%0.77379%0.788SS**  trans-80.118.3-175.931.5-33.3000114.5Y380 K384Y380-P382 WeakPolarHBondContact O-CD 2.99Å; P382-K384 PolarHBondContact O-N 3.31Å; P382-K384 VanDerWaalsContact O-N 3.07Å
383S48.3Very low46.1Very low97 Ų97147.4 Ų147.468%0.67879%0.792SS**THydrogen-bonded Turntrans-74.89.2-17455.40000116S381S381-S383 PolarHBondContact O-N 3.4Å; S381-S383 VanDerWaalsContact O-N 3.1Å; S381-S383 PolarHBondContact OG-OG 3.49Å
384K46Very low47.7Very low191 Ų191143.4 Ų143.483%0.8379%0.791SS**THydrogen-bonded Turntrans-115.533.9-176.7-64.9-167.5-178.5-177.40115.4P382P382-K384 PolarHBondContact O-N 3.31Å; P382-K384 VanDerWaalsContact O-N 3.07Å
385R45.9Very low48.8Very low231 Ų231142.8 Ų142.887%0.87278%0.781SS**SBendtrans-95.7121.7160.9-75.6-170.9175.5-141.20.4109.7A387R385-A387 PolarHBondContact O-N 3.41Å
386P46.6Very low49.8Very low118 Ų118142.3 Ų142.377%0.76678%0.781SS**PPolyproline II helixtrans-64.7121.9177.825.2-31000109.6F388P386-F388 PolarHBondContact O-N 3.43Å
387A54Low50.4Low95 Ų95141.1 Ų141.179%0.78578%0.778SS**PPolyproline II helixtrans-65.8119177.600000109.6R385 Q389R385-A387 PolarHBondContact O-N 3.41Å; A387-Q389 PolarHBondContact O-N 2.87Å; A387-Q389 VanDerWaalsContact O-N 3.13Å
388F48.7Very low51.2Low208 Ų208141.2 Ų141.291%0.91277%0.768SS**  trans-63111.2163.5-92.2-93000108.1P386 A390P386-F388 PolarHBondContact O-N 3.43Å; F388-A390 PolarHBondContact O-N 3Å
389Q48.7Very low51.4Low189 Ų189142.1 Ų142.188%0.88377%0.773SS**  trans-79.898.2-175.7-166.8163.35.500109.6A387A387-Q389 PolarHBondContact O-N 2.87Å; A387-Q389 VanDerWaalsContact O-N 3.13Å
390A56.6Low51.7Low79 Ų79142.5 Ų142.565%0.65377%0.765SS**  trans-70.9137.7171.300000110.3F388 L392F388-A390 PolarHBondContact O-N 3Å; A390-L392 PolarHBondContact O-N 3.22Å
391P52.9Low51.9Low126 Ų126142.8 Ų142.882%0.81877%0.765SS**  trans-65.5123.9177.624.4-30.9000110.7L393P391-L393 PolarHBondContact O-N 2.89Å
392L60.4Low52Low173 Ų173141.7 Ų141.791%0.90677%0.766SS**  trans-66116179.7-70.1162.5000110.4A390A390-L392 PolarHBondContact O-N 3.22Å
393L64.6Low51.6Low159 Ų159144.3 Ų144.383%0.83277%0.768SS**  trans-59.6140.9168.2-70.1167.5000109.8P391 N395P391-L393 PolarHBondContact O-N 2.89Å; L393-N395 PolarHBondContact O-N 3.38Å
394P58.5Low51.5Low120 Ų120147.8 Ų147.878%0.77978%0.778SS**  trans-62.9112.4177.623.5-30.3000109.6P396P394-P396 WeakPolarHBondContact O-CD 3.17Å
395N59.6Low51.3Low103 Ų103149.3 Ų149.355%0.55178%0.779SS**  trans-64.3121.9177.9-170.9-12000109.2L393 Y397 S398L393-N395 PolarHBondContact O-N 3.38Å; N395-Y397 PolarHBondContact O-N 3.47Å; N395-Y397 VanDerWaalsContact O-N 3.08Å; N395-Y397 PolarHBondContact OD1-N 3.37Å; N395-S398 WeakPolarHBondContact O-CB 3.26Å; N395-S398 PolarHBondContact O-N 3.13Å
396P58.7Low51.2Low113 Ų113143 Ų14373%0.73478%0.776SS**THydrogen-bonded Turntrans-62.7-16.6-177.123.8-34.4000113.8P394P394-P396 WeakPolarHBondContact O-CD 3.17Å
397Y55.2Low50.9Low199 Ų199148.6 Ų148.678%0.7878%0.782SS**THydrogen-bonded Turntrans-94.34.6175.8-55.2-74.3000113.4N395 N399N395-Y397 PolarHBondContact O-N 3.47Å; N395-Y397 VanDerWaalsContact O-N 3.08Å; N395-Y397 PolarHBondContact OD1-N 3.37Å; Y397-N399 PolarHBondContact O-N 3.46Å
398S54.4Low50.3Low68 Ų68153.9 Ų153.948%0.47678%0.781SS.*  trans-71.5108.7172.6-175.20000109.5N395 N400N395-S398 WeakPolarHBondContact O-CB 3.26Å; N395-S398 PolarHBondContact O-N 3.13Å; S398-N400 PolarHBondContact O-N 2.71Å
399N47.1Very low49.9Very low158 Ų158153.9 Ų153.985%0.84578%0.775SS**  trans-64.639.6177.1-95.9-29.5000114.6Y397 R401Y397-N399 PolarHBondContact O-N 3.46Å; N399-R401 PolarHBondContact O-N 2.78Å
400N46.9Very low49.7Very low132 Ų132150.7 Ų150.771%0.70677%0.774SS**  trans-87.142.1170.8-80.6-24.4000112.3S398 G402S398-N400 PolarHBondContact O-N 2.71Å; N400-G402 PolarHBondContact O-N 3.36Å
401R45.3Very low48.8Very low238 Ų238158.4 Ų158.490%0.89879%0.786SS**THydrogen-bonded Turntrans-72.628.2167.9-150.1-176.3-159.2-172.86.4112.8N399N399-R401 PolarHBondContact O-N 2.78Å
402G41.1Very low48.5Very low59 Ų59158.2 Ų158.261%0.60879%0.785SS**THydrogen-bonded Turntrans-102.3-10.2179.700000114.5N400 L404N400-G402 PolarHBondContact O-N 3.36Å; G402-L404 VanDerWaalsContact C-N 3.32Å; G402-L404 PolarHBondContact O-N 3.37Å
403Q43.7Very low47.8Very low174 Ų174155.2 Ų155.281%0.81378%0.778SS**  trans-88.911.6-176.8-71-70.7-4.400114.5R405Q403-R405 PolarHBondContact O-N 3.31Å
404L47.2Very low46.5Very low171 Ų171152.6 Ų152.690%0.89577%0.769SS**  trans-90.957.3158.1-65.3178.4000109.5G402 A406G402-L404 VanDerWaalsContact C-N 3.32Å; G402-L404 PolarHBondContact O-N 3.37Å; L404-A406 PolarHBondContact O-N 3.29Å
405R40.6Very low45.4Very low223 Ų223156.6 Ų156.684%0.84277%0.77SS**  trans-77.3110.3167.8-149.3175.8-173.1-177.62107.5Q403 R407Q403-R405 PolarHBondContact O-N 3.31Å; R405-R407 PolarHBondContact O-N 3.16Å; R405-R407 VanDerWaalsContact O-N 3.08Å
406A44.2Very low44.1Very low98 Ų98159 Ų15981%0.8178%0.778SS**  trans-41.3108.9174.200000112.6L404L404-A406 PolarHBondContact O-N 3.29Å
407R40.5Very low43.6Very low236 Ų236158.1 Ų158.189%0.89177%0.774SS**  trans-8499.5151.2-84.3-178.7160-164.1-3.5106.7R405R405-R407 PolarHBondContact O-N 3.16Å; R405-R407 VanDerWaalsContact O-N 3.08Å
408R42.3Very low43.4Very low205 Ų205160.1 Ų160.177%0.77480%0.798SS**  trans177.7119.1135.8-97.1156.3-173.9-128.31111.7
409R40.1Very low42.8Very low208 Ų208164.7 Ų164.779%0.78582%0.815SS**  trans68.8103.6139.6-59.7173.2173.5-164.7-4115.5
410S44.2Very low42.6Very low123 Ų123165.1 Ų165.186%0.8681%0.813SS**  -175.4132.8106.929.80000109.6
411R38Very low42.4Very low240 Ų240166.9 Ų166.991%0.90682%0.819SS**  trans-59158.7171.8-110.5173.6151.5-176.9-6.8110.6
412P46.5Very low42.2Very low122 Ų122162.7 Ų162.779%0.79281%0.814SS**  trans-78.8139-173.732.9-31.1000111.2
413S44.7Very low42.3Very low110 Ų110169.2 Ų169.277%0.76983%0.827SS**  trans-101.6108.5162.8-177.40000109.3
414T38Very low42.2Very low105 Ų105168.9 Ų168.964%0.64483%0.828SS**  trans1.8135.6131.631.30000119
415Y35.4Very low41.8Very low204 Ų204168.7 Ų168.780%0.882%0.823SS**  trans54.7145.9131.9-81.9-115.3000118.6
416H32.6Very low41.9Very low154 Ų154164.5 Ų164.571%0.71382%0.822SS**  cis-170.7174-12.7-125.4-89.5000106.4
417S47.5Very low41.7Very low94 Ų94170.1 Ų170.166%0.65782%0.823SS**  trans-64.3147.4-170.454.50000119.4
418N51.2Low41.9Very low240 Ų240164.1 Ų164.1100%1.28382%0.817SS**  -149.70120-100-17.5000109.5

Retrieved 418 of 418 residues in 118.1 ms (Link to these results)