A0A087YI70_POEFO Loading...

ETS variant transcription factor 4

AlphaFold DB , UniProt , Accession A0A087YI70, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 480 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
1M41.2Very low41.6Very low221 Ų221178.5 Ų178.5100%1.08988%0.877SS**  096.60-73.2-57.2-177.700106.3
2D38.9Very low41.1Very low156 Ų156177.6 Ų177.683%0.83487%0.869SS**  trans-78.5130.9-154.1-60.1-101000112.5
3Y40.6Very low40.6Very low237 Ų237173.4 Ų173.493%0.92986%0.859SS**  trans-96.2116.3161.8-76.2-88.6000107.7
4K45.4Very low40.7Very low205 Ų205169.7 Ų169.789%0.89185%0.854SS**  trans-129117.9168.5-163.5170.4-177.7175.60110.5
5M41.8Very low40.3Very low182 Ų182173 Ų17390%0.89786%0.855SS**  trans-28.3138.1175-67.3-71.2-172.900117.5G7M5-G7 PolarHBondContact O-N 2.96Å
6D39Very low40.5Very low173 Ų173170.3 Ų170.393%0.92585%0.854SS**  trans-58.7118162.6-70-63.7000111.2
7G39.3Very low40.1Very low67 Ų67170.4 Ų170.469%0.69186%0.856SS**  trans-91.8133.9167.900000110.6M5M5-G7 PolarHBondContact O-N 2.96Å
8Y44.1Very low39.7Very low234 Ų234166.2 Ų166.292%0.91885%0.852SS**  trans-24.5125.4163-102.7-112.9000114.6
9L41.9Very low39.4Very low170 Ų170166.3 Ų166.389%0.8986%0.855SS**  trans-118.7115.1159.5-136.587.9000110.4
10D44.3Very low39.2Very low130 Ų130168.5 Ų168.570%0.69586%0.858SS**  trans-50.6125.7174.6-156.2-109.4000112.4Q12D10-Q12 PolarHBondContact O-N 2.94Å; D10-Q12 VanDerWaalsContact O-N 3.14Å
11Q40.9Very low38.9Very low189 Ų189166.1 Ų166.188%0.88386%0.857SS**  trans-83.990.3177.6-161.7151.121.800109.5V13Q11-V13 PolarHBondContact O-N 3.09Å
12Q35.2Very low38.7Very low167 Ų167165.4 Ų165.478%0.7885%0.851SS**PPolyproline II helixtrans-58.1130173.4-71.2173.433.800111.5D10D10-Q12 PolarHBondContact O-N 2.94Å; D10-Q12 VanDerWaalsContact O-N 3.14Å
13V35.1Very low38.5Very low123 Ų123161.7 Ų161.775%0.74585%0.849SS**PPolyproline II helixtrans-81.3131.9175-167.90000109.5Q11Q11-V13 PolarHBondContact O-N 3.09Å
14P41.6Very low38.4Very low122 Ų122158 Ų15879%0.79285%0.846SS**PPolyproline II helixtrans-73.1128-177.8-17.230.8000113.7
15Y35.3Very low38.3Very low219 Ų219150.3 Ų150.386%0.85982%0.824SS**PPolyproline II helixtrans-74.6142.3167.3-67.6-91000111.4L17Y15-L17 PolarHBondContact O-N 2.94Å
16P42.5Very low38.9Very low130 Ų130147.8 Ų147.884%0.84482%0.821SS**PPolyproline II helixtrans-81.2117.2175.930.4-30000111.4
17L34Very low39.5Very low171 Ų171146.7 Ų146.790%0.89581%0.814SS**PPolyproline II helixtrans-84.1129.5169.9-113.9135.3000110.2Y15Y15-L17 PolarHBondContact O-N 2.94Å
18A34.2Very low39.8Very low95 Ų95148.3 Ų148.379%0.78581%0.808SS**PPolyproline II helixtrans-75.9119.9177.700000111.7
19N32.9Very low40.1Very low169 Ų169146.6 Ų146.690%0.90480%0.799SS**PPolyproline II helixtrans-91.8119.6168.5-104.1-8.9000110.8
20K35.9Very low40.5Very low209 Ų209145.1 Ų145.191%0.90979%0.791SS**PPolyproline II helixtrans-79.1129168.1-76.7172.7173.6172.10109.5
21S31.6Very low40.8Very low120 Ų120144 Ų14484%0.83979%0.785SS**  trans-124.1129.9154.564.50000109.9
22Q38.8Very low41.3Very low206 Ų206140.3 Ų140.396%0.96377%0.769SS**  trans-80.6138179.5-77.3169.4-67.200110.7
23G34.1Very low41.8Very low77 Ų77135 Ų13579%0.79475%0.754SS**  trans176.783.3167.900000111.2
24N39Very low42.3Very low161 Ų161132.2 Ų132.286%0.86174%0.744SS**  trans-79.6137.6-178.1-86.9-32000112.5
25G43.6Very low42.5Very low42 Ų42134.3 Ų134.343%0.43374%0.74SS.*  trans-130.6138.715200000109.6L27 N28G25-L27 PolarHBondContact O-N 3.16Å; G25-L27 VanDerWaalsContact O-N 3.1Å; G25-N28 PolarHBondContact O-N 3.17Å
26P52.5Low42.9Very low130 Ų130133.7 Ų133.784%0.84474%0.736SS**Hα-helixtrans-69.8-8-169.925.7-32.3000114.9
27L52Low43Very low149 Ų149135.9 Ų135.978%0.7873%0.733SS**Hα-helixtrans-81.2-27.4-179.3-129.9160.3000113G25 L31G25-L27 PolarHBondContact O-N 3.16Å; G25-L27 VanDerWaalsContact O-N 3.1Å; L27-L31 PolarHBondContact O-N 3.15Å
28N46.7Very low43.3Very low102 Ų102136.7 Ų136.755%0.54573%0.729SS.*Hα-helixtrans-78-25.9-177.8-120.4-30.8000112.8G25 M32G25-N28 PolarHBondContact O-N 3.17Å; N28-M32 WeakPolarHBondContact O-CB 3.08Å; N28-M32 VanDerWaalsContact O-CG 3.25Å; N28-M32 WeakPolarHBondContact O-CG 3.43Å; N28-M32 PolarHBondContact O-N 3.38Å; N28-M32 VanDerWaalsContact O-N 3.13Å
29R49.2Very low43.8Very low198 Ų198140.7 Ų140.775%0.74773%0.734SS**Hα-helixtrans-71.6-34.8177.7-168.7-179.3-83.3-179.7-5.9111.9A33R29-A33 WeakPolarHBondContact O-CB 3.25Å; R29-A33 PolarHBondContact O-N 2.89Å
30L50.7Low44.1Very low138 Ų138139.5 Ų139.572%0.72373%0.728SS**Hα-helixtrans-73.7-37.7177.8-146.192.4000111.7A33 A34L30-A33 PolarHBondContact O-N 3.01Å; L30-A34 PolarHBondContact O-N 3.02Å
31L51.1Low44.2Very low107 Ų107135.3 Ų135.356%0.5672%0.72SS**Hα-helixtrans-68.8-38.2178.3-172.362.8000112.3L27 A34 K35L27-L31 PolarHBondContact O-N 3.15Å; L31-A34 PolarHBondContact O-N 3.21Å; L31-K35 WeakPolarHBondContact O-CB 3.49Å; L31-K35 PolarHBondContact O-N 3.09Å; L31-K35 VanDerWaalsContact O-N 3.09Å
32M50.6Low44.8Very low111 Ų111138.1 Ų138.155%0.54772%0.719SS.*Hα-helixtrans-73.3-27175.5-67.1-67.4175.900113.1N28 R36N28-M32 WeakPolarHBondContact O-CB 3.08Å; N28-M32 VanDerWaalsContact O-CG 3.25Å; N28-M32 WeakPolarHBondContact O-CG 3.43Å; N28-M32 PolarHBondContact O-N 3.38Å; N28-M32 VanDerWaalsContact O-N 3.13Å; M32-R36 PolarHBondContact O-N 3.46Å
33A46.4Very low45.2Very low56 Ų56135.5 Ų135.546%0.46371%0.711SS.*Hα-helixtrans-74.4-36.5172.600000112.1R29 L30 K35R29-A33 WeakPolarHBondContact O-CB 3.25Å; R29-A33 PolarHBondContact O-N 2.89Å; L30-A33 PolarHBondContact O-N 3.01Å; A33-K35 VanDerWaalsContact C-N 3.34Å
34A46.2Very low45.8Very low64 Ų64135.3 Ų135.353%0.52970%0.696SS.*Hα-helixtrans-69.9-30.7174.400000112.5L30 L31L30-A34 PolarHBondContact O-N 3.02Å; L31-A34 PolarHBondContact O-N 3.21Å
35K45.5Very low46.7Very low167 Ų167132.8 Ų132.873%0.72669%0.689SS**Hα-helixtrans-83.7-10.5-179-143177.9178.8-176.90114.8L31 A33L31-K35 WeakPolarHBondContact O-CB 3.49Å; L31-K35 PolarHBondContact O-N 3.09Å; L31-K35 VanDerWaalsContact O-N 3.09Å; A33-K35 VanDerWaalsContact C-N 3.34Å
36R44.2Very low47.1Very low205 Ų205137.7 Ų137.777%0.77470%0.7SS**THydrogen-bonded Turntrans-91-6.9169.9-77.8-173.8-171.6148.22.2114.2M32M32-R36 PolarHBondContact O-N 3.46Å
37K44Very low46.9Very low176 Ų176137.4 Ų137.477%0.76569%0.688SS**SBendtrans-93.98.7177.7-70.6-162.1173-164.90114.3
38F39.1Very low47.2Very low188 Ų188133.4 Ų133.483%0.82567%0.672SS**SBendtrans-127.58.7-175.8-132.5-89.1000114.5
39M45.8Very low48.2Very low179 Ų179134.6 Ų134.688%0.88267%0.674SS**SBendtrans-125.316.1172.2-84.7-165.370.900112.4
40D38.2Very low49.2Very low144 Ų144129.4 Ų129.477%0.7766%0.662SS**  trans-123.760.6179.2-131.9-53.4000108.3
41T39.2Very low50.2Low121 Ų121127.8 Ų127.874%0.74265%0.653SS**SBendtrans-133.881.9168.6-57.40000107.3
42E44Very low51.4Low179 Ų179130 Ų13084%0.83666%0.658SS**  trans67.985.9137.2-45.8-148.1154.200117.6
43L46.3Very low53Low151 Ų151129.8 Ų129.879%0.79166%0.656SS**  trans-103.1130.7137.2-81.2160.9000106.9
44P48.3Very low54.8Low73 Ų73132.1 Ų132.147%0.47466%0.661SS.*  trans-63.5135.1-178.318.5-22.5000109.8Q46 E47P44-Q46 PolarHBondContact O-N 3.43Å; P44-E47 HydrophobicContact CG-CG 4.17Å; P44-E47 PolarHBondContact O-N 2.88Å
45P56.3Low56.6Low109 Ų109134 Ų13471%0.70866%0.661SS**Hα-helixtrans-56.6-14.2-179.3-24.432.4000114.8S48P45-S48 PolarHBondContact O-OG 3.25Å
46Q53.4Low58.2Low144 Ų144128.8 Ų128.867%0.67365%0.646SS**Hα-helixtrans-72-34.6-176.2-159.4147.8-8.600112.4P44 S48 E49 D50P44-Q46 PolarHBondContact O-N 3.43Å; Q46-S48 VanDerWaalsContact C-N 3.33Å; Q46-S48 PolarHBondContact O-N 3.45Å; Q46-E49 PolarHBondContact O-N 2.95Å; Q46-D50 PolarHBondContact O-N 3.08Å; Q46-D50 VanDerWaalsContact O-N 3.08Å
47E47.7Very low60.1Low125 Ų125125 Ų12558%0.58464%0.637SS**Hα-helixtrans-75.4-23.5-176.8-55-161.6150.300113P44 L51P44-E47 HydrophobicContact CG-CG 4.17Å; P44-E47 PolarHBondContact O-N 2.88Å; E47-L51 VanDerWaalsContact O-CB 3.29Å; E47-L51 WeakPolarHBondContact O-CB 3.44Å; E47-L51 PolarHBondContact O-N 3.28Å
48S58.6Low62.1Low65 Ų65121.3 Ų121.346%0.45563%0.625SS.*Hα-helixtrans-74.3-38.3171.250.70000112.2P45 Q46 L51 F52P45-S48 PolarHBondContact O-OG 3.25Å; Q46-S48 VanDerWaalsContact C-N 3.33Å; Q46-S48 PolarHBondContact O-N 3.45Å; S48-L51 PolarHBondContact O-N 3.09Å; S48-F52 VanDerWaalsContact O-CD2 3.24Å; S48-F52 WeakPolarHBondContact O-CD2 3.29Å; S48-F52 PolarHBondContact O-N 3.42Å; S48-F52 VanDerWaalsContact O-N 3.11Å
49E67.8Low64.1Low126 Ų126118.8 Ų118.859%0.58962%0.616SS**Hα-helixtrans-66.8-45.8178.9-158.183.4-16000110.1Q46 L51 F52 Q53Q46-E49 PolarHBondContact O-N 2.95Å; E49-L51 VanDerWaalsContact C-N 3.32Å; E49-L51 PolarHBondContact O-N 3.11Å; E49-F52 PolarHBondContact O-N 3.1Å; E49-F52 VanDerWaalsContact O-N 3.17Å; E49-Q53 PolarHBondContact O-N 3.13Å
50D68.9Low65.9Low90 Ų90116.2 Ų116.248%0.48160%0.602SS.*Hα-helixtrans-62.6-37.4177.5-71.5-32.1000111.9Q46 Q53 D54Q46-D50 PolarHBondContact O-N 3.08Å; Q46-D50 VanDerWaalsContact O-N 3.08Å; D50-Q53 WeakPolarHBondContact O-CB 3.24Å; D50-Q53 PolarHBondContact O-N 3.41Å; D50-D54 WeakPolarHBondContact O-CB 3.5Å; D50-D54 PolarHBondContact O-N 3.2Å
51L72.9Confident68Low104 Ų104113 Ų11355%0.54559%0.587SS.*Hα-helixtrans-67.3-37.1176-171.770.5000112.6E47 S48 E49 L55E47-L51 VanDerWaalsContact O-CB 3.29Å; E47-L51 WeakPolarHBondContact O-CB 3.44Å; E47-L51 PolarHBondContact O-N 3.28Å; S48-L51 PolarHBondContact O-N 3.09Å; E49-L51 VanDerWaalsContact C-N 3.32Å; E49-L51 PolarHBondContact O-N 3.11Å; L51-L55 WeakPolarHBondContact O-CB 3.43Å; L51-L55 WeakPolarHBondContact O-CG 3.33Å; L51-L55 PolarHBondContact O-N 2.92Å
52F76.6Confident69.8Low153 Ų153115.9 Ų115.967%0.67159%0.585SS**Hα-helixtrans-69.3-37.6174.2-90.5-77.3000111.4S48 E49 S56S48-F52 VanDerWaalsContact O-CD2 3.24Å; S48-F52 WeakPolarHBondContact O-CD2 3.29Å; S48-F52 PolarHBondContact O-N 3.42Å; S48-F52 VanDerWaalsContact O-N 3.11Å; E49-F52 PolarHBondContact O-N 3.1Å; E49-F52 VanDerWaalsContact O-N 3.17Å; F52-S56 WeakPolarHBondContact O-CB 3.37Å; F52-S56 PolarHBondContact O-N 3.46Å
53Q82.6Confident71.3Confident107 Ų107112.3 Ų112.350%0.557%0.571SS.*Hα-helixtrans-62.7-45.8172.9-123.678.249.200111.6E49 D50 L55 S56 Q57E49-Q53 PolarHBondContact O-N 3.13Å; D50-Q53 WeakPolarHBondContact O-CB 3.24Å; D50-Q53 PolarHBondContact O-N 3.41Å; Q53-L55 PolarHBondContact O-N 3.4Å; Q53-S56 WeakPolarHBondContact O-CB 3.43Å; Q53-S56 PolarHBondContact O-N 3.38Å; Q53-Q57 WeakPolarHBondContact O-CB 3.42Å; Q53-Q57 PolarHBondContact O-N 3.31Å
54D84.9Confident72.6Confident104 Ų104109.8 Ų109.856%0.55656%0.562SS**Hα-helixtrans-62-43.6178.3-91.43.9000111.9D50 S56 Q57 L58D50-D54 WeakPolarHBondContact O-CB 3.5Å; D50-D54 PolarHBondContact O-N 3.2Å; D54-S56 VanDerWaalsContact C-N 3.35Å; D54-Q57 PolarHBondContact O-N 2.84Å; D54-L58 WeakPolarHBondContact O-CB 3.46Å; D54-L58 PolarHBondContact O-N 3.17Å
55L83.2Confident73.8Confident103 Ų103113.3 Ų113.354%0.53957%0.572SS.*Hα-helixtrans-65.2-39.5176.3-74.8171.9000111.9L51 Q53 Q59L51-L55 WeakPolarHBondContact O-CB 3.43Å; L51-L55 WeakPolarHBondContact O-CG 3.33Å; L51-L55 PolarHBondContact O-N 2.92Å; Q53-L55 PolarHBondContact O-N 3.4Å; L55-Q59 WeakPolarHBondContact O-CB 3.48Å; L55-Q59 PolarHBondContact O-N 3.49Å; L55-Q59 VanDerWaalsContact O-N 3.08Å
56S80.1Confident74.1Confident59 Ų59111.7 Ų111.741%0.41357%0.568SS.*Hα-helixtrans-63.2-43.5174.3-174.90000111.4F52 Q53 D54 Q59 E60F52-S56 WeakPolarHBondContact O-CB 3.37Å; F52-S56 PolarHBondContact O-N 3.46Å; Q53-S56 WeakPolarHBondContact O-CB 3.43Å; Q53-S56 PolarHBondContact O-N 3.38Å; D54-S56 VanDerWaalsContact C-N 3.35Å; S56-Q59 WeakPolarHBondContact O-CB 3.34Å; S56-Q59 PolarHBondContact O-N 2.99Å; S56-E60 PolarHBondContact O-N 3.24Å
57Q83.6Confident74Confident124 Ų124111.9 Ų111.958%0.57957%0.569SS**Hα-helixtrans-69.9-35.7-177.6-159.2171.979.200111.7Q53 D54 Q59 E60 T61Q53-Q57 WeakPolarHBondContact O-CB 3.42Å; Q53-Q57 PolarHBondContact O-N 3.31Å; D54-Q57 PolarHBondContact O-N 2.84Å; Q57-Q59 VanDerWaalsContact C-N 3.34Å; Q57-E60 PolarHBondContact O-N 2.68Å; Q57-T61 WeakPolarHBondContact O-CB 3.47Å; Q57-T61 PolarHBondContact O-N 2.88Å; Q57-T61 PolarHBondContact O-OG1 2.92Å
58L85.8Confident74.3Confident99 Ų99111.9 Ų111.952%0.51858%0.577SS.*Hα-helixtrans-65.4-39172.3-17266.7000111.7D54 T61 W62D54-L58 WeakPolarHBondContact O-CB 3.46Å; D54-L58 PolarHBondContact O-N 3.17Å; L58-T61 PolarHBondContact O-N 2.81Å; L58-W62 PolarHBondContact O-N 3.04Å
59Q81.1Confident73.9Confident135 Ų135114 Ų11463%0.63159%0.589SS**Hα-helixtrans-64.9-41.7175.4-171.4177.4-18.400111.7L55 S56 Q57 L63L55-Q59 WeakPolarHBondContact O-CB 3.48Å; L55-Q59 PolarHBondContact O-N 3.49Å; L55-Q59 VanDerWaalsContact O-N 3.08Å; S56-Q59 WeakPolarHBondContact O-CB 3.34Å; S56-Q59 PolarHBondContact O-N 2.99Å; Q57-Q59 VanDerWaalsContact C-N 3.34Å; Q59-L63 HydrophobicContact CG-CD1 4.22Å; Q59-L63 WeakPolarHBondContact O-CD1 3.18Å; Q59-L63 WeakPolarHBondContact O-CG 3.48Å; Q59-L63 PolarHBondContact O-N 2.85Å; Q59-L63 VanDerWaalsContact O-N 3.09Å
60E83.6Confident73.1Confident126 Ų126115.6 Ų115.659%0.58960%0.602SS**Hα-helixtrans-65.4-38174.4-73.7-165.2158.100112.7S56 Q57 L63 T64S56-E60 PolarHBondContact O-N 3.24Å; Q57-E60 PolarHBondContact O-N 2.68Å; E60-L63 PolarHBondContact O-N 2.97Å; E60-T64 WeakPolarHBondContact O-CB 3.25Å; E60-T64 PolarHBondContact O-N 3.08Å; E60-T64 PolarHBondContact O-OG1 2.93Å
61T82Confident72.4Confident75 Ų75116 Ų11646%0.4661%0.611SS.*Hα-helixtrans-63.8-46.3177.2-54.60000110.9Q57 L58 L63 T64 E65Q57-T61 WeakPolarHBondContact O-CB 3.47Å; Q57-T61 PolarHBondContact O-N 2.88Å; Q57-T61 PolarHBondContact O-OG1 2.92Å; L58-T61 PolarHBondContact O-N 2.81Å; T61-L63 VanDerWaalsContact C-N 3.33Å; T61-L63 PolarHBondContact O-N 2.91Å; T61-T64 PolarHBondContact O-N 3.32Å; T61-E65 WeakPolarHBondContact O-CB 3.27Å; T61-E65 PolarHBondContact O-N 3.38Å
62W78.6Confident71.2Confident182 Ų182118.8 Ų118.869%0.68963%0.627SS**Hα-helixtrans-61.2-38.8175.6-99.782.1000113.2L58 T64 A66L58-W62 PolarHBondContact O-N 3.04Å; W62-T64 VanDerWaalsContact C-N 3.31Å; W62-A66 WeakPolarHBondContact O-CB 3.39Å; W62-A66 PolarHBondContact O-N 3.38Å
63L75.1Confident70.2Confident104 Ų104120.7 Ų120.755%0.54564%0.638SS.*Hα-helixtrans-71.2-27.2177.1-74.8164.7000112.9Q59 E60 T61 Q67Q59-L63 HydrophobicContact CG-CD1 4.22Å; Q59-L63 WeakPolarHBondContact O-CD1 3.18Å; Q59-L63 WeakPolarHBondContact O-CG 3.48Å; Q59-L63 PolarHBondContact O-N 2.85Å; Q59-L63 VanDerWaalsContact O-N 3.09Å; E60-L63 PolarHBondContact O-N 2.97Å; T61-L63 VanDerWaalsContact C-N 3.33Å; T61-L63 PolarHBondContact O-N 2.91Å; L63-Q67 PolarHBondContact O-NE2 3.24Å; L63-Q67 VanDerWaalsContact O-NE2 3.09Å
64T72.6Confident68.9Low98 Ų98123.4 Ų123.460%0.60165%0.651SS**Hα-helixtrans-79.7-39.4175.8-540000111.1E60 T61 W62 A66 Q67E60-T64 WeakPolarHBondContact O-CB 3.25Å; E60-T64 PolarHBondContact O-N 3.08Å; E60-T64 PolarHBondContact O-OG1 2.93Å; T61-T64 PolarHBondContact O-N 3.32Å; W62-T64 VanDerWaalsContact C-N 3.31Å; T64-A66 VanDerWaalsContact C-N 3.34Å; T64-Q67 PolarHBondContact O-N 2.76Å
65E74.1Confident66.7Low148 Ų148127.4 Ų127.469%0.69266%0.664SS**Hα-helixtrans-68.9-31.6176.4-171.2174.5177.800112.4T61 Q67T61-E65 WeakPolarHBondContact O-CB 3.27Å; T61-E65 PolarHBondContact O-N 3.38Å; E65-Q67 PolarHBondContact O-N 3.3Å
66A62.2Low64.8Low75 Ų75128.2 Ų128.262%0.6267%0.672SS**THydrogen-bonded Turntrans-73.8-9.6175.400000114.1W62 T64 V68W62-A66 WeakPolarHBondContact O-CB 3.39Å; W62-A66 PolarHBondContact O-N 3.38Å; T64-A66 VanDerWaalsContact C-N 3.34Å; A66-V68 PolarHBondContact O-N 2.8Å
67Q53.1Low63.2Low148 Ų148130.8 Ų130.869%0.69269%0.688SS**  trans-85.884.6170.3-85165.376.700109.3L63 T64 E65 P69L63-Q67 PolarHBondContact O-NE2 3.24Å; L63-Q67 VanDerWaalsContact O-NE2 3.09Å; T64-Q67 PolarHBondContact O-N 2.76Å; E65-Q67 PolarHBondContact O-N 3.3Å; Q67-P69 VanDerWaalsContact O-CD 3.26Å; Q67-P69 WeakPolarHBondContact O-CD 3.29Å
68V52.1Low61Low125 Ų125131.1 Ų131.176%0.75869%0.693SS**  trans-58.5117.9165-178.70000107.7A66 D70A66-V68 PolarHBondContact O-N 2.8Å; V68-D70 PolarHBondContact O-N 3.47Å
69P51.5Low58.8Low109 Ų109136.1 Ų136.171%0.70871%0.712SS**  trans-61.7120.9168.8-16.730.5000108Q67 S71Q67-P69 VanDerWaalsContact O-CD 3.26Å; Q67-P69 WeakPolarHBondContact O-CD 3.29Å; P69-S71 PolarHBondContact O-N 3.02Å
70D49.7Very low56.5Low160 Ų160137.5 Ų137.586%0.85672%0.718SS**SBendtrans-7260.1177.5-16417.4000110.5V68V68-D70 PolarHBondContact O-N 3.47Å
71S55.8Low54.6Low97 Ų97136.6 Ų136.668%0.67873%0.725SS**  trans-157.770.3-177.3-67.50000110.1P69P69-S71 PolarHBondContact O-N 3.02Å
72D47.2Very low52.6Low163 Ų163142 Ų14287%0.87275%0.745SS**  trans-159.555.8152-96.9-33.4000110.3Q74D72-Q74 VanDerWaalsContact C-N 3.26Å; D72-Q74 PolarHBondContact O-N 2.99Å
73E56.3Low50.6Low193 Ų193140.3 Ų140.390%0.90275%0.75SS**  trans-77.378.5153.7-72.3-159.1129.200109.1
74Q53.9Low48.7Very low165 Ų165141.1 Ų141.177%0.77176%0.764SS**  trans-169.3101.7155.4-115.6164.8-6.200112.7D72D72-Q74 VanDerWaalsContact C-N 3.26Å; D72-Q74 PolarHBondContact O-N 2.99Å
75F39.1Very low47.3Very low188 Ų188142.7 Ų142.783%0.82577%0.773SS**  15687.6128-98-86.7000109.5
76V44Very low45.4Very low119 Ų119139.2 Ų139.272%0.72177%0.769SS**  trans-88.3118.4155.2-179.80000106.2D78V76-D78 PolarHBondContact O-N 3.43Å
77P46.2Very low44.1Very low114 Ų114145 Ų14574%0.7478%0.781SS**  trans-76.9104.9169.2-11.928.3000109.1F79P77-F79 PolarHBondContact O-N 2.92Å
78D38Very low43.4Very low130 Ų130147 Ų14770%0.69579%0.79SS**  trans-62.6113.6168.7-71-47.5000109.9V76 H80V76-D78 PolarHBondContact O-N 3.43Å; D78-H80 PolarHBondContact O-N 3.02Å; D78-H80 VanDerWaalsContact O-N 3.14Å
79F39Very low42.5Very low205 Ų205146.5 Ų146.590%0.89979%0.792SS**  trans-80.495.9174-152.5-93.2000109.1P77 S81P77-F79 PolarHBondContact O-N 2.92Å; F79-S81 PolarHBondContact O-N 3.09Å
80H33.4Very low42Very low164 Ų164146.6 Ų146.676%0.75979%0.793SS**  trans-65.4113.2171.3-75.4-82.1000110.9D78 E82D78-H80 PolarHBondContact O-N 3.02Å; D78-H80 VanDerWaalsContact O-N 3.14Å; H80-E82 PolarHBondContact O-N 2.89Å
81S43.4Very low41.5Very low106 Ų106145 Ų14574%0.74179%0.791SS**  trans-72.9102.2160.846.80000109.3F79F79-S81 PolarHBondContact O-N 3.09Å
82E39.4Very low40.6Very low189 Ų189146.8 Ų146.888%0.88380%0.798SS**  trans-169.6131.6149.4-107.3166-172.600113.2H80H80-E82 PolarHBondContact O-N 2.89Å
83N35.6Very low40.2Very low147 Ų147145.3 Ų145.379%0.78680%0.795SS**  trans88.391.4152.3-129.532000120.4
84S36.6Very low39.6Very low120 Ų120144.2 Ų144.284%0.83979%0.793SS**  -156.6109.9125.571.70000112.5
85V42Very low38.8Very low131 Ų131145.3 Ų145.379%0.79480%0.796SS**  trans-61.9132164.5-159.70000109.8
86A35.6Very low39.2Very low75 Ų75145.9 Ų145.962%0.6280%0.797SS**  trans167.3110.2137.900000110.7
87F34.1Very low38.8Very low196 Ų196148 Ų14886%0.8680%0.8SS**  162.2120116-95.7-79.8000109.6S89F87-S89 PolarHBondContact O-N 3.17Å
88H38Very low38.7Very low191 Ų191147.5 Ų147.588%0.88480%0.797SS**PPolyproline II helixtrans-57.3126.4177.7-61.7-85.6000111.3
89S34.5Very low38.8Very low115 Ų115150.6 Ų150.680%0.80481%0.807SS**PPolyproline II helixtrans-99.5127.4164.6-67.30000109.4F87F87-S89 PolarHBondContact O-N 3.17Å
90P39.6Very low38.6Very low111 Ų111146.2 Ų146.272%0.72180%0.802SS**PPolyproline II helixtrans-76.4156.1-178.327-28.6000112.7V92P90-V92 PolarHBondContact O-N 3.41Å
91P39.8Very low39.3Very low126 Ų126144.2 Ų144.282%0.81880%0.803SS**PPolyproline II helixtrans-75.9125.9-171.230.5-33.3000111.4
92V37.7Very low38.9Very low135 Ų135142.8 Ų142.882%0.81881%0.806SS**PPolyproline II helixtrans-91.8119.7171.8-1670000108.7P90 I94P90-V92 PolarHBondContact O-N 3.41Å; V92-I94 PolarHBondContact O-N 2.97Å
93T37.9Very low38.8Very low132 Ų132139.8 Ų139.881%0.8181%0.805SS**  trans-72.2114179.443.10000110.7K95T93-K95 PolarHBondContact O-N 2.76Å
94I43Very low38.9Very low169 Ų169138.8 Ų138.887%0.86780%0.8SS**  trans-74.8109.4174-62.8174.5000108.5V92V92-I94 PolarHBondContact O-N 2.97Å
95K37.3Very low39.4Very low189 Ų189139.2 Ų139.282%0.82280%0.8SS**  trans-74122.4172.3-175.2173170.6-179.60109.4T93T93-K95 PolarHBondContact O-N 2.76Å
96K47Very low39.4Very low199 Ų199137 Ų13787%0.86579%0.79SS**  trans-96.6126177.5-175.6179.2-177.21790109.6
97E35.7Very low39.5Very low164 Ų164143.1 Ų143.177%0.76681%0.806SS**  trans-166.8163160.4-130.6-164.2112.300110.6
98P44.9Very low39.4Very low104 Ų104138.9 Ų138.968%0.67580%0.801SS**  -115.9162.5-86.535.7-22.6000113.9
99Q40.7Very low39.2Very low194 Ų194135.2 Ų135.291%0.90780%0.795SS**  trans-60144.7168.2-90.8171.1-30.600112.6
100S35.2Very low39.6Very low114 Ų114135.2 Ų135.280%0.79780%0.795SS**  trans-156.7152.4160.6-79.20000109.5
101P48Very low39.4Very low121 Ų121138.4 Ų138.479%0.78680%0.8SS**  -104.6155.3-125.3118000114.7
102G34.2Very low39.7Very low77 Ų77141.5 Ų141.579%0.79480%0.801SS**  trans-68.4159.6171.800000113.7
103S37.6Very low39.5Very low125 Ų125144 Ų14487%0.87480%0.804SS**  trans-140.2138.1161.6-13.60000109.6
104D38Very low39.2Very low127 Ų127143.4 Ų143.468%0.67980%0.8SS**  trans-70.7149.5-162.6-162.3-66.8000114.9S106D104-S106 PolarHBondContact O-N 3.34Å; D104-S106 PolarHBondContact OD1-OG 3.09Å; D104-S106 VanDerWaalsContact OD1-OG 3.06Å
105P47Very low38.6Very low128 Ų128145.2 Ų145.283%0.83180%0.802SS**SBendtrans-86.583.3172.435.8-32000110.9
106S40.8Very low38.3Very low85 Ų85140.6 Ų140.659%0.59479%0.793SS**  trans-157.295.5167.247.70000111.2D104D104-S106 PolarHBondContact O-N 3.34Å; D104-S106 PolarHBondContact OD1-OG 3.09Å; D104-S106 VanDerWaalsContact OD1-OG 3.06Å
107Q37.8Very low37.6Very low203 Ų203142.1 Ų142.195%0.94980%0.795SS**  trans-160.3132.7139.2-72.3-146.613.400110.6
108S33.1Very low38.1Very low108 Ų108138.7 Ų138.776%0.75579%0.787SS**  trans-101.2166.2178.2-163.70000110.6
109C33.9Very low37.5Very low113 Ų113139.4 Ų139.476%0.76480%0.795SS**  trans84103.1155.1-63.30000121.1
110S41.7Very low37.1Very low115 Ų115133.8 Ų133.880%0.80479%0.788SS**  39.2110.7118.7-174.60000120.3
111H35.7Very low37.2Very low179 Ų179137.9 Ų137.983%0.82980%0.795SS**  trans-155.8130.7138.6-144.764.4000113
112K45.5Very low36.7Very low191 Ų191140.5 Ų140.583%0.8380%0.797SS**  trans-77.2143.9168.9-76.7-179.8172-1790109.6
113Q34Very low36.7Very low188 Ų188143.3 Ų143.388%0.87980%0.803SS**  trans-142.9128.7154.9-115.4-179.32.900112.4
114T32.3Very low36.7Very low119 Ų119145 Ų14573%0.7380%0.801SS**  trans-75.6146.3167.1-44.40000109.5
115F30.5Very low36.3Very low206 Ų206150 Ų15090%0.90481%0.812SS**  -179.4150.5126.4-107.5-80.7000113.8
116S30.8Very low35.6Very low92 Ų92148 Ų14864%0.64381%0.807SS**  trans-74159.7-174.6174.80000115.3
117Y31.7Very low35.5Very low232 Ų232149.5 Ų149.591%0.9182%0.817SS**  trans-149.2156.5143.3-114.6-95.4000111.1
118P46.8Very low35.3Very low92 Ų92144.1 Ų144.160%0.59781%0.807SS**  trans-116.1175.7-154.841.3-28.5000116.8
119S31.4Very low35.3Very low119 Ų119149.6 Ų149.683%0.83281%0.813SS**  trans75.1127.6147.776.60000122.7
120G33.9Very low35.4Very low75 Ų75152.2 Ų152.277%0.77381%0.814SS**  trans88.3120.4159.100000113.7
121E35.8Very low35Very low201 Ų201155.6 Ų155.694%0.93982%0.817SS**  cis-154.4172.931-66.4-178147.400110.8
122Q38.3Very low35.4Very low175 Ų175156 Ų15682%0.81882%0.816SS**  trans-75.1149.4-161.1-62.6163-19.500115.8
123C33.6Very low34.8Very low137 Ų137159 Ų15993%0.92682%0.822SS**  trans-145.2124.1140.8-94.20000110.4
124L38.1Very low35Very low161 Ų161154.7 Ų154.784%0.84382%0.819SS**  trans-91.2123.4-175.3-66.6162.2000110.5
125Y29.2Very low35Very low232 Ų232154.2 Ų154.291%0.9183%0.827SS**  -161.2119.9129.3-155.6-105.1000109.9
126A32.4Very low35Very low86 Ų86148.4 Ų148.471%0.71183%0.825SS**  trans-91.1155-173.400000112.6
127S38.7Very low35Very low115 Ų115148 Ų14880%0.80484%0.835SS**  trans-74.1159.1173.346.20000113.9
128A32.9Very low35.2Very low90 Ų90141.1 Ų141.174%0.74483%0.827SS**  trans-173.9143.3152.300000108.1
129Y34.4Very low34.6Very low223 Ų223146.1 Ų146.188%0.87584%0.839SS**  cis-162.8153.5-17.1-120.7-87.7000104.5
130E36.2Very low34.7Very low168 Ų168146.2 Ų146.279%0.78584%0.84SS**  trans-73.2148.3171.5-172.1177.616700111.7
131Q32.5Very low34.6Very low187 Ų187148.2 Ų148.287%0.87484%0.842SS**  trans-166.5135.5144.2-151.678.95.400113.7
132K43.5Very low34.6Very low187 Ų187144 Ų14481%0.81383%0.833SS**  trans-87.5143.4-175.5-153.1-179.3-161.5167.80112.6
133R33.7Very low35.1Very low253 Ų253141.9 Ų141.996%0.95584%0.835SS**  172.6154.1124.2-101.4-166.6-173160.84.2115
134A38.1Very low34.9Very low99 Ų99139 Ų13982%0.81883%0.828SS**  trans-83158.4-175.900000115.6
135A33.4Very low34.8Very low109 Ų109138 Ų13890%0.90183%0.829SS**  trans176.9142.1136.100000110.1
136G29Very low36.1Very low83 Ų83131.8 Ų131.886%0.85682%0.817SS**  trans-110.2-178.2-173.600000116.4
137G31.2Very low36.1Very low83 Ų83136.2 Ų136.286%0.85683%0.825SS**  trans94.7138.6166.300000115
138A36.1Very low36.1Very low89 Ų89135.8 Ų135.874%0.73682%0.823SS**  cis-170.8150.3-1.100000110.4
139K34.7Very low37.5Very low196 Ų196137.3 Ų137.385%0.85283%0.825SS**  trans78.5127.2141.3-69.7172.7-176-173.80124.9
140S33.6Very low37.4Very low122 Ų122135.6 Ų135.685%0.85383%0.827SS**  trans74.1141.6141.5690000118.7
141S31.7Very low37.6Very low116 Ų116136 Ų13681%0.81183%0.829SS**  cis-158.2147.314.5-179.60000109.7
142C35.7Very low37.6Very low112 Ų112135.8 Ų135.876%0.75783%0.828SS**  trans-78-174.1165.4-43.90000110.1
143P47.5Very low37.3Very low131 Ų131134.4 Ų134.485%0.85182%0.824SS**  cis-142.1-176.31.938.7-17000115.6
144G29.3Very low37.2Very low77 Ų77133.3 Ų133.379%0.79482%0.821SS**  trans161.691.5160.400000117.7
145T37.4Very low37.1Very low141 Ų141133.5 Ų133.587%0.86582%0.817SS**  trans-123.1175.5151.9-1.10000105.8
146P56.5Low37.9Very low101 Ų101134.5 Ų134.566%0.65681%0.814SS**  cis-138.6-173.7-6.934.4-12.2000113.2
147M32.6Very low38Very low178 Ų178140.2 Ų140.288%0.87782%0.815SS**  trans-173.7147.9140.2-101-66.3110.700112.3
148S39.1Very low39.5Very low107 Ų107141.8 Ų141.875%0.74881%0.811SS**  trans-107.7-149.3-166.9-59.40000113.4
149P61.3Low39.4Very low122 Ų122142.4 Ų142.479%0.79282%0.816SS**  -117.7-179-120.335.1-12.7000114.3
150M31.9Very low39.4Very low187 Ų187137.8 Ų137.892%0.92181%0.814SS**  trans-157.3129163.2-157.683.7140.400112.9
151Q40.6Very low39.3Very low175 Ų175137.2 Ų137.282%0.81882%0.817SS**  trans-89.1156.3164.2-79.9160.7-26.500110.2
152Q33.1Very low39.3Very low184 Ų184135 Ų13586%0.8681%0.812SS**  -178.8161123.5-96-173.427.700113.8
153H36.4Very low39.6Very low158 Ų158141.2 Ų141.273%0.73182%0.82SS**  trans-72.2162.1-164.1-63-104000116.4
154Y32.1Very low40.1Very low229 Ų229140 Ų14090%0.89881%0.812SS**  153.7137.9118-91.2-82.3000113.2
155S35.4Very low40.3Very low104 Ų104143.6 Ų143.673%0.72781%0.813SS**  trans-92.9158.7162.3-153.30000108.7
156P49.6Very low40.2Very low129 Ų129141.2 Ų141.284%0.83881%0.808SS**  -153.4174.686.436.6-14.4000118.1
157K32.7Very low39Very low203 Ų203139.4 Ų139.488%0.88381%0.807SS**  trans-47-178.9-179.6-107.8-164.9169.2166.50121
158P61.5Low39.2Very low116 Ų116141.5 Ų141.575%0.75381%0.807SS**  trans-127.9-176.2-135.542-20.6000116.5
159A33.9Very low38.9Very low102 Ų102143.6 Ų143.684%0.84381%0.809SS**  trans154.8149.9153.900000108.7
160A35.4Very low37.5Very low99 Ų99144.6 Ų144.682%0.81881%0.807SS**  cis-171.8177.10.900000109.4
161A32.6Very low38.9Very low110 Ų110140.3 Ų140.391%0.90979%0.794SS**  trans92132.7161.400000118.3
162G30.7Very low38.5Very low69 Ų69136.6 Ų136.671%0.71179%0.793SS**  cis165.4144.1-600000113.7
163R41.6Very low38.5Very low243 Ų243131.9 Ų131.992%0.91779%0.785SS**  trans85163.4152.6-41.1-170.192.9-168.28.9120.2
164P59.3Low38.2Very low106 Ų106130.6 Ų130.669%0.68879%0.789SS**  -141.3172.2-75.941.2-22.5000114.9
165D32Very low38.3Very low152 Ų152125 Ų12581%0.81378%0.783SS**  162.6149.4115.5-147.6-92000113.4
166A36.8Very low38.3Very low92 Ų92127.9 Ų127.976%0.7679%0.785SS**  trans58124.4169.500000120
167G31.1Very low38Very low62 Ų62127.4 Ų127.464%0.63978%0.782SS**  cis154.8115.51.900000110.6
168Y35.8Very low38Very low223 Ų223124.9 Ų124.988%0.87578%0.777SS**  trans63.5144.2152.3-64.9-94.8000120.6
169L33.3Very low37.4Very low150 Ų150124.9 Ų124.979%0.78578%0.777SS**  cis-171.3151.6-31.8-123164000106
170N32.5Very low37.3Very low143 Ų143125 Ų12577%0.76577%0.772SS**  trans-93.8-152.4-176.9-1508000109.4
171P61.3Low37.2Very low98 Ų98126.8 Ų126.864%0.63677%0.768SS**  -123.5-169.6-77.327.7-6.4000114.7
172A31.3Very low37Very low97 Ų97127 Ų12780%0.80275%0.754SS**  trans80.6146.2148.700000118.2
173A32.3Very low37Very low85 Ų85132.2 Ų132.270%0.70275%0.753SS**  cis-172.2167.8-9.800000109
174T31.8Very low36.5Very low131 Ų131128.5 Ų128.580%0.80475%0.746SS**  trans95.1135.3146.8-42.80000121.1
175S33.3Very low35.1Very low111 Ų111129.6 Ų129.678%0.77675%0.745SS**  trans86.3122.3152.538.90000122.8
176Q36.7Very low35.2Very low164 Ų164129.2 Ų129.277%0.76674%0.743SS**  trans-48.2166.6159.3-73-90.1-20.600113.7
177P42.9Very low34.9Very low119 Ų119131.3 Ų131.377%0.77374%0.741SS**  cis-146.4178.139.236.5-12.2000118.7
178L32.8Very low34.9Very low150 Ų150139.5 Ų139.579%0.78575%0.753SS**  trans-44.7157.1172.4-78.9164.7000116.4
179P47.3Very low34.6Very low116 Ų116132.8 Ų132.875%0.75375%0.751SS**  -151.415480.837.7-16.4000119.4
180S33.4Very low34.4Very low104 Ų104129.6 Ų129.673%0.72776%0.755SS**  trans61.8117131.3-59.90000125.1
181N31.7Very low34.3Very low137 Ų137126.8 Ų126.873%0.73376%0.759SS**  69.5139.1121.3-95.913.5000125.2
182N29.9Very low32.9Very low115 Ų115126.3 Ų126.362%0.61577%0.772SS**  trans109.6105.4138.2-76.815.6000121.8
183Y29.3Very low33Very low179 Ų179125.6 Ų125.670%0.70277%0.774SS**  37.2133.3124.7-42.6-63.2000123.7
184H31.5Very low33.1Very low165 Ų165125.8 Ų125.876%0.76479%0.785SS**  150.2123.3119.2-89.8-50.5000110.5
185I31Very low33.1Very low129 Ų129123.6 Ų123.666%0.66279%0.788SS**  84.7130.465.8-85.2172.5000114.9
186N33.4Very low33.1Very low144 Ų144122.4 Ų122.477%0.7779%0.793SS**  trans77.5129.4160.6-69.8-13.7000119.3
187N30.3Very low33.1Very low136 Ų136118.9 Ų118.973%0.72780%0.801SS**  cis116.3142.920.3-165.230.8000110.3
188R31.2Very low32.6Very low234 Ų234117.2 Ų117.288%0.88381%0.805SS**  trans71.3137.7178.6-64.8-179.6167.8-169-4.8115.6
189G28.7Very low32.8Very low81 Ų81115.3 Ų115.384%0.83581%0.811SS**  cis157.7160.210.700000104.6
190G29.9Very low32.2Very low84 Ų84114.4 Ų114.487%0.86681%0.813SS**  cis-170.9179.1-400000105.7
191G30.5Very low32.4Very low83 Ų83120 Ų12086%0.85682%0.82SS**  trans129.39915900000116.8
192G31.8Very low32.6Very low88 Ų88120.5 Ų120.591%0.90782%0.818SS**  93.9112126.400000119.5
193G34.2Very low33.2Very low83 Ų83126.9 Ų126.986%0.85683%0.833SS**  trans12591.6134.800000118.6
194G32.8Very low33.6Very low89 Ų89124.4 Ų124.492%0.91883%0.828SS**  trans86.6109.9130.100000120.5
195G32.6Very low33.6Very low85 Ų85123.8 Ų123.888%0.87683%0.825SS**  trans113.399.213400000119.1
196G33.4Very low34Very low85 Ų85123.2 Ų123.288%0.87683%0.833SS**  trans90.797.6131.800000120.5
197G35.6Very low34.1Very low91 Ų91123.8 Ų123.894%0.93884%0.836SS**  81.699.9128.400000120.4
198G34.1Very low34.6Very low83 Ų83123 Ų12386%0.85684%0.838SS**  trans166.494.416100000112.8
199A36.6Very low34.9Very low110 Ų110117.9 Ų117.991%0.90984%0.837SS**  trans-77.3146.4-175.900000113.5
200A35Very low35.9Very low97 Ų97120 Ų12080%0.80283%0.833SS**  trans-91.6159.6-174.300000114.1
201Y36.5Very low36.4Very low221 Ų221121.7 Ų121.787%0.86783%0.829SS**  trans-145.4106.9148.158-94.7000107.1
202H36.4Very low36.5Very low148 Ų148127.1 Ų127.169%0.68583%0.825SS**  52.1104.390.3-140.468.5000114.9
203R42.8Very low36.5Very low249 Ų249130.5 Ų130.594%0.9482%0.821SS**  trans-91.1118.3170.9-152.5-167.8-162-170.96.2107.8
204Q37Very low36.5Very low127 Ų127134.9 Ų134.959%0.59382%0.819SS**  trans-139.6121.3170.6-84.3-157.7-31.400109.2
205H31.1Very low36.8Very low152 Ų152139 Ų13970%0.70482%0.815SS**  trans52135.2141.1-34.9-50.9000120.2
206S40Very low36.8Very low118 Ų118140.2 Ų140.283%0.82581%0.81SS**PPolyproline II helixtrans-52.9131.2175.3450000114.9
207D35.3Very low36.8Very low156 Ų156145.7 Ų145.783%0.83481%0.81SS**PPolyproline II helixtrans-98142161.7-76.9-42.9000111.2
208P41.6Very low37Very low118 Ų118150.8 Ų150.877%0.76681%0.806SS**PPolyproline II helixtrans-74.1143.8-178.130-33.5000112.5V210P208-V210 PolarHBondContact O-N 3.27Å
209C37.7Very low37.1Very low128 Ų128155.8 Ų155.887%0.86581%0.808SS**PPolyproline II helixtrans-62.3118.5174.4-168.90000110.6
210V48.3Very low37.2Very low125 Ų125158.8 Ų158.876%0.75880%0.803SS**PPolyproline II helixtrans-67.4135.5167-80.40000110.1P208P208-V210 PolarHBondContact O-N 3.27Å
211P40.3Very low37.1Very low120 Ų120163.7 Ų163.778%0.77980%0.802SS**PPolyproline II helixtrans-73134.6173.627.9-30.5000110.6L213P211-L213 PolarHBondContact O-N 2.83Å
212Y34.1Very low37.4Very low196 Ų196160.4 Ų160.477%0.76980%0.798SS**PPolyproline II helixtrans-64122.6174.2-173.5-94.9000110.2Q214Y212-Q214 PolarHBondContact O-N 3.42Å
213L30.3Very low38Very low159 Ų159158.1 Ų158.183%0.83279%0.791SS**PPolyproline II helixtrans-68.5126.5172.5-91.3165.1000110.1P211 Q215P211-L213 PolarHBondContact O-N 2.83Å; L213-Q215 PolarHBondContact O-N 2.79Å
214Q35.3Very low38.6Very low175 Ų175150.4 Ų150.482%0.81877%0.773SS**PPolyproline II helixtrans-52.9125.3169.2-80.4176.2-38.700110.5Y212 S216Y212-Q214 PolarHBondContact O-N 3.42Å; Q214-S216 PolarHBondContact O-N 2.93Å
215Q38.8Very low39Very low176 Ų176151.3 Ų151.382%0.82278%0.779SS**  trans-67.997.1165.7-82.1-175.3-55.600109.3L213L213-Q215 PolarHBondContact O-N 2.79Å
216S31.9Very low39.8Very low110 Ų110153.9 Ų153.977%0.76978%0.784SS**  trans-72.7141.9165.9-70.60000111.2Q214Q214-S216 PolarHBondContact O-N 2.93Å
217F33.4Very low40.2Very low201 Ų201154.5 Ų154.588%0.88277%0.774SS**  trans-29.3140.6172-164.3-102.1000115.7Q219F217-Q219 PolarHBondContact O-N 3.2Å; F217-Q219 VanDerWaalsContact O-N 3.09Å
218K39.7Very low40.6Very low197 Ų197156.9 Ų156.986%0.85777%0.771SS**  trans-54.1113.6176.3-73-178.7174.2-177.90110.7E220K218-E220 PolarHBondContact O-N 3.41Å
219Q37.4Very low41.1Very low189 Ų189155.2 Ų155.288%0.88377%0.768SS**  trans-74.2113163.1-172.296.531.900108F217F217-Q219 PolarHBondContact O-N 3.2Å; F217-Q219 VanDerWaalsContact O-N 3.09Å
220E37.9Very low41.6Very low173 Ų173152.6 Ų152.681%0.80876%0.755SS**  trans-75.2122.2173.4-162.8165.1171.100108.9K218 L222K218-E220 PolarHBondContact O-N 3.41Å; E220-L222 PolarHBondContact O-N 3.45Å
221Y32.6Very low41.7Very low200 Ų200153.5 Ų153.578%0.78475%0.751SS**  trans-80.8110.3178.5-177-95000108.6D223Y221-D223 PolarHBondContact O-N 2.89Å
222L42.6Very low42.1Very low151 Ų151156.2 Ų156.279%0.79176%0.755SS**  trans-72.7122.2170.3-10478.7000109.7E220 P224E220-L222 PolarHBondContact O-N 3.45Å; L222-P224 WeakPolarHBondContact O-CD 3.11Å
223D50.7Low42.7Very low101 Ų101151.2 Ų151.254%0.5476%0.755SS.*  trans-72.2119.4175.5-174.6-12.6000110.8Y221 M225 Y226Y221-D223 PolarHBondContact O-N 2.89Å; D223-M225 PolarHBondContact O-N 3.34Å; D223-M225 WeakPolarHBondContact OD1-CB 3.5Å; D223-M225 PolarHBondContact OD1-N 2.91Å; D223-Y226 PolarHBondContact O-N 3.48Å
224P55.2Low43.2Very low86 Ų86146.9 Ų146.956%0.55875%0.748SS**THydrogen-bonded Turntrans-61-11.8179.5-21.832.5000115.1L222 Y226L222-P224 WeakPolarHBondContact O-CD 3.11Å; P224-Y226 VanDerWaalsContact C-N 3.32Å
225M45.1Very low43.9Very low147 Ų147145.3 Ų145.372%0.72475%0.753SS**THydrogen-bonded Turntrans-78.8-15.4179.5-67.3-68.2-9900113.4D223D223-M225 PolarHBondContact O-N 3.34Å; D223-M225 WeakPolarHBondContact OD1-CB 3.5Å; D223-M225 PolarHBondContact OD1-N 2.91Å
226Y46.7Very low43.6Very low206 Ų206140.5 Ų140.581%0.80875%0.751SS**THydrogen-bonded Turntrans-76.1-30.4177.2-169.5-104.7000112.6D223 P224D223-Y226 PolarHBondContact O-N 3.48Å; P224-Y226 VanDerWaalsContact C-N 3.32Å
227E48.7Very low44.1Very low131 Ų131144.8 Ų144.861%0.61276%0.758SS**Hα-helixtrans-78.1-26.6-175.6-155.3160-162.800112.5A229 A230 H231E227-A229 VanDerWaalsContact C-N 3.27Å; E227-A229 PolarHBondContact O-N 3.19Å; E227-A230 PolarHBondContact O-N 3.15Å; E227-A230 VanDerWaalsContact O-N 3.15Å; E227-H231 PolarHBondContact O-CD2 2.99Å
228R45.2Very low44.2Very low205 Ų205138.6 Ų138.677%0.77475%0.751SS**Hα-helixtrans-70.2-21179.2-163.1163.4-165.2133.14.4113.8
229A51.3Low44.2Very low83 Ų83139.1 Ų139.169%0.68676%0.757SS**Hα-helixtrans-79-23.6173.900000112.7E227E227-A229 VanDerWaalsContact C-N 3.27Å; E227-A229 PolarHBondContact O-N 3.19Å
230A48.6Very low44Very low73 Ų73133.2 Ų133.260%0.60375%0.747SS**Hα-helixtrans-80.6-19.3-177.600000113.6E227 M232E227-A230 PolarHBondContact O-N 3.15Å; E227-A230 VanDerWaalsContact O-N 3.15Å; A230-M232 PolarHBondContact O-N 3.32Å
231H49.3Very low44Very low145 Ų145134.3 Ų134.367%0.67175%0.751SS**THydrogen-bonded Turntrans-88.76.5-175.5-71.2-63.6000115.7E227E227-H231 PolarHBondContact O-CD2 2.99Å
232M48.5Very low44.1Very low177 Ų177128 Ų12887%0.87275%0.747SS**THydrogen-bonded Turntrans-108.67.7-179.1-69.8-78.5-103.600114.6A230A230-M232 PolarHBondContact O-N 3.32Å
233A46.9Very low44.1Very low91 Ų91130.5 Ų130.575%0.75275%0.752SS**  trans-106.2103.8175.300000110.7
234G41.3Very low43.9Very low68 Ų68131.4 Ų131.470%0.70176%0.763SS**  trans-70170.3173.700000113.6
235P50.3Low43.7Very low141 Ų141133.1 Ų133.192%0.91677%0.774SS**  trans-85.3132.5-163.833.8-32000112
236G32.6Very low43.5Very low75 Ų75130.3 Ų130.377%0.77378%0.775SS**  trans-152.8121.4174.300000111.1
237H42.1Very low43.1Very low200 Ų200127.7 Ų127.793%0.92677%0.77SS**  trans-60.1148-175.2-73.5-91.2000115.3
238G35.8Very low42.8Very low71 Ų71130 Ų13073%0.73278%0.782SS**  trans99.8116.7131.700000118.1
239Q39.4Very low42.9Very low209 Ų209128.5 Ų128.598%0.97779%0.787SS**  trans49.7130.9148-69.6-170.9-3.200120.8
240G33.2Very low42.4Very low65 Ų65131 Ų13167%0.6779%0.793SS**  trans136.7112.5146.100000114.7
241H38.5Very low42.1Very low196 Ų196136.6 Ų136.691%0.90780%0.803SS**  trans22.7116.3147.5-58.5-76.3000118.8
242G33.7Very low41.6Very low68 Ų68138.7 Ų138.770%0.70181%0.814SS**  trans-67.3137.1174.600000114.4
243F43.6Very low41.3Very low202 Ų202138.6 Ų138.689%0.88681%0.811SS**  trans85.2121158.5-62-79.3000119.4
244P45.8Very low40.9Very low120 Ų120139.5 Ų139.578%0.77981%0.809SS**  -136.1-165.9120.547-34.5000110.8
245P50.2Low41.1Very low122 Ų122143 Ų14379%0.79282%0.817SS**  -121.8145.1-104.527-4.8000113.5
246A41.1Very low40.3Very low89 Ų89142.5 Ų142.574%0.73681%0.807SS**  trans-104.4104.3169.400000110.8M248A246-M248 PolarHBondContact O-N 3.05Å
247H38.2Very low40.4Very low151 Ų151148.8 Ų148.870%0.69981%0.809SS**  trans-24.4122.1157.666.2-63.2000114.8
248M42.5Very low40.4Very low178 Ų178145.9 Ų145.988%0.87781%0.805SS**  trans-106.1117.1156.2-70.2-174.470.600107.5A246 V250A246-M248 PolarHBondContact O-N 3.05Å; M248-V250 PolarHBondContact O-N 3.18Å
249M47Very low40.4Very low175 Ų175153 Ų15386%0.86281%0.811SS**  trans-73.6102.8177.1-56177.27900108.2K251M249-K251 PolarHBondContact O-N 2.99Å
250V42.6Very low40.5Very low134 Ų134149.5 Ų149.581%0.81280%0.795SS**  trans-77.9117168.6177.30000107.6M248 Q252M248-V250 PolarHBondContact O-N 3.18Å; V250-Q252 PolarHBondContact O-N 2.61Å
251K40.7Very low41.2Very low191 Ų191151.8 Ų151.883%0.8380%0.798SS**  trans-68.7110.9177.3-158176179.9-169.40108.6M249M249-K251 PolarHBondContact O-N 2.99Å
252Q38.7Very low41.6Very low189 Ų189149.1 Ų149.188%0.88379%0.791SS**PPolyproline II helixtrans-61.7126.9168.9-110.2172.421.600109.5V250V250-Q252 PolarHBondContact O-N 2.61Å
253E43.3Very low41.9Very low175 Ų175152.4 Ų152.482%0.81880%0.796SS**PPolyproline II helixtrans-103.8147.7157.9-70.6-138134.800110.1
254P38Very low42.1Very low110 Ų110148.9 Ų148.971%0.71479%0.794SS**PPolyproline II helixtrans-81.3136.5-166.6-6.425.9000112.5D256P254-D256 PolarHBondContact O-N 3.35Å
255T45Very low42.2Very low141 Ų141146.6 Ų146.687%0.86579%0.792SS**  trans-62115.3158.520.30000110.5
256D34.9Very low41.4Very low132 Ų132146.8 Ų146.871%0.70680%0.795SS**  trans-132.3117.9161.8-86.3-43.6000111.5P254P254-D256 PolarHBondContact O-N 3.35Å
257Y34.6Very low41.4Very low207 Ų207148.7 Ų148.781%0.81280%0.8SS**  trans58.4109145.3-77.6-92.9000122.2
258T41.1Very low41.6Very low138 Ų138146 Ų14685%0.84780%0.798SS**  15.3111128.5-50.90000117
259Y37Very low41.5Very low221 Ų221145.7 Ų145.787%0.86780%0.796SS**  trans-119127.3162.9-168.6-98.6000110.1
260E40.3Very low41.4Very low136 Ų136147.8 Ų147.864%0.63680%0.796SS**  trans-56.9148.2177.5-94.4-86.2142.400114
261P49.5Very low41.5Very low112 Ų112149.7 Ų149.773%0.72780%0.796SS**  trans-96.995.1173.935.4-25.6000111.3
262D45.2Very low41.2Very low141 Ų141149.7 Ų149.775%0.75480%0.798SS**  trans-147.483.3166.5-99.4-38.9000112.1
263V40.4Very low40.9Very low136 Ų136145.4 Ų145.482%0.82480%0.796SS**  trans-148.2120.4150.2-1740000109.9
264P48.1Very low40.7Very low128 Ų128146.3 Ų146.383%0.83180%0.8SS**  trans-78.6134.3177.8-11.827.5000113.5
265G47.3Very low40.5Very low72 Ų72144.5 Ų144.574%0.74280%0.802SS**  trans110.382.1150.300000117.4
266C33.7Very low40.3Very low126 Ų126149.2 Ų149.285%0.85181%0.805SS**  trans-152.7114.2151.8-86.40000109.1S268C266-S268 PolarHBondContact O-N 3.2Å
267P42.4Very low40.8Very low130 Ų130148.7 Ų148.784%0.84481%0.809SS**  trans-77.4120.5172.928.5-28.6000110.4
268S40.7Very low40.8Very low93 Ų93146.2 Ų146.265%0.6581%0.81SS**  trans-74.3134.8171.7-1780000110.8C266C266-S268 PolarHBondContact O-N 3.2Å
269M40.7Very low41.2Very low172 Ų172145.1 Ų145.185%0.84781%0.805SS**SBendtrans-91.512.2-172.9-78.8-67.7-52.800115
270Y46.1Very low41.2Very low220 Ų220143.7 Ų143.786%0.86381%0.806SS**  trans-113.584.6173.4-92.7-89.6000110
271H44.4Very low41.3Very low174 Ų174146 Ų14681%0.80682%0.816SS**  trans-96.9120164.4-91.2-75.2000110.1
272H33.3Very low40.5Very low190 Ų190146.5 Ų146.588%0.8882%0.823SS**  trans-50.9129.2161.6-90.2-95.9000110.3E274H272-E274 PolarHBondContact O-N 3.05Å
273A33.3Very low40.6Very low100 Ų100146.8 Ų146.883%0.82682%0.824SS**  trans-94.287.1177.600000110.4
274E39.8Very low40.7Very low193 Ų193147.6 Ų147.690%0.90282%0.824SS**  trans-140.2123.7154.4-68.3-159.3-176.900109.6H272H272-E274 PolarHBondContact O-N 3.05Å
275G33.3Very low41Very low73 Ų73145.5 Ų145.575%0.75383%0.826SS**  trans118.599.9171.400000114.7
276Y40.4Very low41.2Very low239 Ų239148.7 Ų148.794%0.93783%0.826SS**  trans-74.6140.7164.6-76.8-92.6000110.8
277P46.2Very low42.2Very low121 Ų121146.8 Ų146.879%0.78681%0.814SS**  trans-119.5141.8148.331-17.2000112.7
278N33.1Very low42.6Very low155 Ų155146.3 Ų146.383%0.82980%0.804SS**  trans-69.4143.9178.2-161.225.1000111.3
279P50.3Low43.4Very low116 Ų116148.5 Ų148.575%0.75381%0.808SS**  trans-92.7120.4-178.632.3-26.4000111.8
280Q36Very low44.2Very low191 Ų191143.5 Ų143.589%0.89379%0.794SS**  trans-107.8117.4160.8-95.1173.8-29.700109.9
281H42.4Very low44.8Very low183 Ų183140.9 Ų140.985%0.84778%0.784SS**  trans0.2121.5153.9-115.6-95.9000117.2
282S34.4Very low45.3Very low124 Ų124138.8 Ų138.887%0.86778%0.775SS**  -164135.5125.6-80.20000112.7
283N46.5Very low46.4Very low146 Ų146133.3 Ų133.378%0.78176%0.758SS**  trans-55.9124.9-179.7-164.929.3000113.6
284D42.7Very low47.5Very low154 Ų154136.2 Ų136.282%0.82475%0.752SS**  trans-160.1127.3146.9-91.1-33.5000110.9N286D284-N286 PolarHBondContact O-N 3.17Å
285G53.6Low48.7Very low84 Ų84131.1 Ų131.187%0.86673%0.73SS**SBendtrans-76.569.6-164.300000115.7
286N52.3Low49.7Very low139 Ų139135.1 Ų135.174%0.74373%0.727SS**  trans-144.844.6166-16521.4000112.6D284D284-N286 PolarHBondContact O-N 3.17Å
287S53.8Low50.3Low86 Ų86127.3 Ų127.360%0.60171%0.706SS**  trans-98.9-14.8-177.159.90000114.7Y291S287-Y291 WeakPolarHBondContact O-CB 3.33Å; S287-Y291 PolarHBondContact O-N 3.07Å; S287-Y291 VanDerWaalsContact O-N 3.16Å
288D51.1Low50.5Low119 Ų119128.4 Ų128.464%0.63670%0.695SS**Hα-helixtrans-79-32.4-165.9-152.437000113.8Q292D288-Q292 PolarHBondContact O-N 2.83Å
289L57.3Low51.1Low139 Ų139129.3 Ų129.373%0.72869%0.688SS**Hα-helixtrans-78.1-32.2178.1-115.1129.2000112.9S293L289-S293 PolarHBondContact O-N 3.13Å
290A57.9Low51.1Low68 Ų68130.2 Ų130.256%0.56269%0.686SS**Hα-helixtrans-71.2-37.1173.400000111.1S293 F294A290-S293 PolarHBondContact O-N 3.47Å; A290-F294 WeakPolarHBondContact O-CB 3.47Å; A290-F294 PolarHBondContact O-N 3.33Å
291Y58.5Low51.4Low164 Ų164129 Ų12964%0.64368%0.678SS**Hα-helixtrans-67-40.5176.9-136.5-102000112.4S287 F294 L295S287-Y291 WeakPolarHBondContact O-CB 3.33Å; S287-Y291 PolarHBondContact O-N 3.07Å; S287-Y291 VanDerWaalsContact O-N 3.16Å; Y291-F294 PolarHBondContact O-N 3.48Å; Y291-L295 HydrophobicContact CD1-CD1 3.72Å; Y291-L295 HydrophobicContact CD1-CG 4.37Å; Y291-L295 HydrophobicContact CE1-CD1 4.19Å; Y291-L295 WeakPolarHBondContact O-CB 3.45Å; Y291-L295 WeakPolarHBondContact O-CD1 3.17Å; Y291-L295 VanDerWaalsContact O-CG 3.29Å; Y291-L295 WeakPolarHBondContact O-CG 3.44Å; Y291-L295 PolarHBondContact O-N 3.03Å
292Q55.9Low51.4Low131 Ų131125.7 Ų125.761%0.61266%0.663SS**Hα-helixtrans-68.1-38.3175-89.5-177.822.500113.5D288 F294 K296D288-Q292 PolarHBondContact O-N 2.83Å; Q292-F294 VanDerWaalsContact C-N 3.32Å; Q292-K296 WeakPolarHBondContact O-CB 3.29Å; Q292-K296 PolarHBondContact O-N 2.96Å
293S54.7Low51.7Low75 Ų75124.8 Ų124.852%0.52465%0.648SS.*Hα-helixtrans-67.4-35.2175.5-164.90000111.7L289 A290 C297L289-S293 PolarHBondContact O-N 3.13Å; A290-S293 PolarHBondContact O-N 3.47Å; S293-C297 PolarHBondContact O-N 2.89Å; S293-C297 PolarHBondContact O-SG 3.35Å
294F58.1Low51.4Low161 Ų161124.9 Ų124.971%0.70665%0.649SS**Hα-helixtrans-70.9-41.2176.4-146.1-93.4000112.1A290 Y291 Q292 K296 C297 R298A290-F294 WeakPolarHBondContact O-CB 3.47Å; A290-F294 PolarHBondContact O-N 3.33Å; Y291-F294 PolarHBondContact O-N 3.48Å; Q292-F294 VanDerWaalsContact C-N 3.32Å; F294-K296 PolarHBondContact O-N 2.9Å; F294-C297 PolarHBondContact O-N 3.24Å; F294-R298 VanDerWaalsContact O-CB 3.31Å; F294-R298 WeakPolarHBondContact O-CB 3.31Å; F294-R298 PolarHBondContact O-N 2.93Å
295L63.2Low51.5Low85 Ų85122.6 Ų122.645%0.44565%0.645SS.*Hα-helixtrans-66.5-33.3175.9-75.4165000112.8Y291 R298 Y299Y291-L295 HydrophobicContact CD1-CD1 3.72Å; Y291-L295 HydrophobicContact CD1-CG 4.37Å; Y291-L295 HydrophobicContact CE1-CD1 4.19Å; Y291-L295 WeakPolarHBondContact O-CB 3.45Å; Y291-L295 WeakPolarHBondContact O-CD1 3.17Å; Y291-L295 VanDerWaalsContact O-CG 3.29Å; Y291-L295 WeakPolarHBondContact O-CG 3.44Å; Y291-L295 PolarHBondContact O-N 3.03Å; L295-R298 PolarHBondContact O-N 3.12Å; L295-Y299 PolarHBondContact O-N 3.32Å
296K54.9Low50.9Low158 Ų158129 Ų12969%0.68764%0.643SS**Hα-helixtrans-73.5-37.2177.5-164.5171.4-175.1175.30112.9Q292 F294 L300Q292-K296 WeakPolarHBondContact O-CB 3.29Å; Q292-K296 PolarHBondContact O-N 2.96Å; F294-K296 PolarHBondContact O-N 2.9Å; K296-L300 WeakPolarHBondContact O-CG 3.43Å; K296-L300 PolarHBondContact O-N 3.39Å
297C54Low50.2Low74 Ų74127.7 Ų127.750%0.564%0.64SS.*Hα-helixtrans-67.6-38.7169.6-69.80000111S293 F294 L300 F301S293-C297 PolarHBondContact O-N 2.89Å; S293-C297 PolarHBondContact O-SG 3.35Å; F294-C297 PolarHBondContact O-N 3.24Å; C297-L300 PolarHBondContact O-N 3.27Å; C297-F301 WeakPolarHBondContact O-CD2 3.41Å; C297-F301 PolarHBondContact O-N 3.19Å
298R49.4Very low49.4Very low144 Ų144129.9 Ų129.954%0.54365%0.649SS.*Hα-helixtrans-64.2-42.5177.5-166.9-177.1163.2116.46.9112.7F294 L295 L300 F301 E302F294-R298 VanDerWaalsContact O-CB 3.31Å; F294-R298 WeakPolarHBondContact O-CB 3.31Å; F294-R298 PolarHBondContact O-N 2.93Å; L295-R298 PolarHBondContact O-N 3.12Å; R298-L300 VanDerWaalsContact C-N 3.32Å; R298-L300 PolarHBondContact O-N 3.02Å; R298-F301 PolarHBondContact O-N 3.48Å; R298-E302 WeakPolarHBondContact CG-OE2 3.34Å; R298-E302 IonicContact CZ-OE1 2.86Å; R298-E302 IonicContact CZ-OE2 3.55Å; R298-E302 IonicContact NE-OE1 3.72Å; R298-E302 IonicContact NE-OE2 3.71Å; R298-E302 PolarHBondContact NE-OE2 2.98Å; R298-E302 IonicContact NH2-OE1 3.76Å; R298-E302 PolarHBondContact NH2-OE1 3.25Å; R298-E302 IonicContact NH2-OE2 2.98Å; R298-E302 WeakPolarHBondContact O-CB 3.49Å; R298-E302 PolarHBondContact O-N 3.47Å; R298-E302 VanDerWaalsContact O-N 3.13Å
299Y46.1Very low48.8Very low175 Ų175129.9 Ų129.969%0.68666%0.656SS**Hα-helixtrans-69.6-23.4179.6-117.4-92.1000114.9L295L295-Y299 PolarHBondContact O-N 3.32Å
300L50.1Low47.9Very low134 Ų134130.3 Ų130.370%0.70265%0.654SS**Hα-helixtrans-81.1-24.7176.1-74.1168.7000112.7K296 C297 R298K296-L300 WeakPolarHBondContact O-CG 3.43Å; K296-L300 PolarHBondContact O-N 3.39Å; C297-L300 PolarHBondContact O-N 3.27Å; R298-L300 VanDerWaalsContact C-N 3.32Å; R298-L300 PolarHBondContact O-N 3.02Å
301F43Very low46.9Very low166 Ų166135.4 Ų135.473%0.72866%0.663SS**Hα-helixtrans-91.4-24.6176.6-84.1-84.4000113.8C297 R298 N303 D304C297-F301 WeakPolarHBondContact O-CD2 3.41Å; C297-F301 PolarHBondContact O-N 3.19Å; R298-F301 PolarHBondContact O-N 3.48Å; F301-N303 PolarHBondContact O-N 3.41Å; F301-D304 PolarHBondContact O-N 2.98Å
302E42.2Very low45.7Very low113 Ų113136.6 Ų136.653%0.52867%0.672SS.*THydrogen-bonded Turntrans-78.31.4-175.2-139146.6-171.100114.2R298R298-E302 WeakPolarHBondContact CG-OE2 3.34Å; R298-E302 IonicContact CZ-OE1 2.86Å; R298-E302 IonicContact CZ-OE2 3.55Å; R298-E302 IonicContact NE-OE1 3.72Å; R298-E302 IonicContact NE-OE2 3.71Å; R298-E302 PolarHBondContact NE-OE2 2.98Å; R298-E302 IonicContact NH2-OE1 3.76Å; R298-E302 PolarHBondContact NH2-OE1 3.25Å; R298-E302 IonicContact NH2-OE2 2.98Å; R298-E302 WeakPolarHBondContact O-CB 3.49Å; R298-E302 PolarHBondContact O-N 3.47Å; R298-E302 VanDerWaalsContact O-N 3.13Å
303N39.6Very low44.9Very low106 Ų106139.6 Ų139.657%0.56769%0.686SS**THydrogen-bonded Turntrans-105.2-1.5174.8-85.4-68.3000115.4F301F301-N303 PolarHBondContact O-N 3.41Å
304D40.3Very low43.9Very low147 Ų147138.4 Ų138.479%0.78669%0.685SS**SBendtrans-126.131.2-174-138.6-6.7000114.2F301F301-D304 PolarHBondContact O-N 2.98Å
305S45.4Very low43.1Very low107 Ų107140.1 Ų140.175%0.74870%0.696SS**  trans-144.872.9173.7-60.70000110.8V307S305-V307 PolarHBondContact O-N 2.91Å; S305-V307 VanDerWaalsContact O-N 3.15Å
306R40.2Very low41.9Very low217 Ų217142.4 Ų142.482%0.81971%0.713SS**  trans-80.594169.2-79.2-170.8179.992.61.1111.2
307V39.1Very low41.1Very low113 Ų113143.9 Ų143.969%0.68572%0.719SS**  trans71.495.6133.5-151.80000119.5S305 P309S305-V307 PolarHBondContact O-N 2.91Å; S305-V307 VanDerWaalsContact O-N 3.15Å; V307-P309 HydrophobicContact CG1-CG 4.1Å
308V35.7Very low40.6Very low132 Ų132149.2 Ų149.280%0.874%0.737SS**  trans-98.3121.3143177.20000107.1E310V308-E310 PolarHBondContact O-N 3.2Å
309P40.1Very low39.7Very low118 Ų118151.3 Ų151.377%0.76675%0.753SS**  trans-81.9111.8165-5.623000109.3V307V307-P309 HydrophobicContact CG1-CG 4.1Å
310E37.7Very low39.4Very low149 Ų149148.2 Ų148.270%0.69676%0.764SS**  trans-98.2121.5166.9-140.3-171.9146.900109V308V308-E310 PolarHBondContact O-N 3.2Å
311K37.4Very low38.5Very low174 Ų174145.7 Ų145.776%0.75777%0.77SS**  trans67.1103.3160.4-32.2-169.5-170.9172.40118.2
312F33.3Very low38.1Very low189 Ų189141.3 Ų141.383%0.82977%0.771SS**  trans-124.5103.9145.7-170.8-104.7000108.3
313E39.5Very low37.8Very low195 Ų195142.8 Ų142.891%0.91179%0.788SS**  trans-72.2121.5154.4-87.6176.9145.900107.3
314G32.8Very low37.6Very low49 Ų49145.8 Ų145.851%0.50580%0.796SS.*  trans171.695.317700000111V316G314-V316 PolarHBondContact O-N 3.49Å
315E41.3Very low37.4Very low197 Ų197150.8 Ų150.892%0.92180%0.804SS**  trans-58103.5170.3-179.2-166.5166.700111.3
316V37.2Very low37Very low133 Ų133153.7 Ų153.781%0.80681%0.806SS**  trans-152.6111.5155-178.70000111.4G314G314-V316 PolarHBondContact O-N 3.49Å
317K39.3Very low36.7Very low190 Ų190145.6 Ų145.683%0.82679%0.789SS**  trans17.5107.5141.8-145.9172.6177.9-1730119.3
318Q42.9Very low36.6Very low185 Ų185145 Ų14586%0.86479%0.787SS**  trans-7.4122.8141-179.518079.800116.8
319E31.5Very low36.9Very low189 Ų189144.3 Ų144.388%0.88379%0.785SS**  trans-152.1149.3140.5-66-149.9171.400110.8
320A38.2Very low37.2Very low110 Ų110146.4 Ų146.491%0.90978%0.778SS**  trans-90.9157.6-163.900000114.6
321G31.4Very low37.6Very low80 Ų80144.8 Ų144.883%0.82577%0.771SS**  trans138.1106.4144.400000118.5
322G34.8Very low38.1Very low74 Ų74146.3 Ų146.376%0.76377%0.772SS**  trans71.7129.8151.900000117
323V35.2Very low39.3Very low144 Ų144144.1 Ų144.187%0.87376%0.758SS**  cis-152.4131.749.31770000110.3R325V323-R325 PolarHBondContact O-N 3.15Å
324F36.1Very low40.3Very low170 Ų170138.1 Ų138.175%0.74675%0.749SS**  trans-13.6109.6165.3-121.9-121.4000116.9E326F324-E326 HydrophobicContact CD1-CB 3.68Å; F324-E326 HydrophobicContact CD1-CG 4.13Å; F324-E326 HydrophobicContact CE1-CB 3.78Å; F324-E326 HydrophobicContact CE1-CG 3.69Å
325R35.5Very low42.6Very low251 Ų251138.7 Ų138.795%0.94775%0.745SS**  trans-99.6100.9140.9-140.7-165.7-168.3-138.63.6105.5V323 G327V323-R325 PolarHBondContact O-N 3.15Å; R325-G327 PolarHBondContact O-N 3.17Å
326E38.2Very low45Very low169 Ų169130.2 Ų130.279%0.7971%0.706SS**  trans-64.784.8174-163.5161.3-161.800108.6F324F324-E326 HydrophobicContact CD1-CB 3.68Å; F324-E326 HydrophobicContact CD1-CG 4.13Å; F324-E326 HydrophobicContact CE1-CB 3.78Å; F324-E326 HydrophobicContact CE1-CG 3.69Å
327G34.3Very low47.7Very low46 Ų46126.1 Ų126.147%0.47468%0.678SS.*  trans-95.2129.8163.200000107.4R325R325-G327 PolarHBondContact O-N 3.17Å
328T36.5Very low50.4Low102 Ų102117.2 Ų117.263%0.62664%0.639SS**  trans-44.1143.9172.745.10000111.7Y330T328-Y330 PolarHBondContact O-N 3.29Å
329P41.2Very low52.9Low117 Ų117110 Ų11076%0.7660%0.604SS**SBendtrans-71.817.8-16027.9-35.6000116.6
330Y47.2Very low56Low162 Ų162103.5 Ų103.564%0.63557%0.574SS**  trans-97.314.8-171.5-60.6-71.9000114.8T328 R332T328-Y330 PolarHBondContact O-N 3.29Å; Y330-R332 PolarHBondContact O-N 3.27Å
331Q46.6Very low58.8Low115 Ų11599 Ų9954%0.53753%0.534SS..  trans-84.140.7-168.3-141.5148.8-1.500114.7R333Q331-R333 PolarHBondContact O-N 3.36Å
332R46.8Very low61.9Low206 Ų20695.2 Ų95.278%0.77749%0.494SS*.  trans-79.791.2155.2-83-143.1-70.9-140.1-2108.6Y330 G334Y330-R332 PolarHBondContact O-N 3.27Å; R332-G334 PolarHBondContact O-N 3.08Å
333R58Low64.8Low142 Ų14294.2 Ų94.254%0.53647%0.473SS..THydrogen-bonded Turntrans-56.6-14.7-176.3-82.4-152.1179.4-843.6115.9Q331 Q379Q331-R333 PolarHBondContact O-N 3.36Å; R333-Q379 PolarHBondContact NH1-O 3.39Å
334G60.5Low67.7Low70 Ų7089.5 Ų89.572%0.72245%0.45SS*.THydrogen-bonded Turntrans-77.4-49.5-177.300000114.7R332 K380R332-G334 PolarHBondContact O-N 3.08Å; G334-K380 PolarHBondContact O-NZ 3.4Å
335S82.6Confident70.7Confident60 Ų6082.4 Ų82.442%0.4242%0.419SS..THydrogen-bonded Turntrans-110.72.4-164.861.80000115.7Q337S335-Q337 PolarHBondContact O-N 2.72Å; S335-Q337 VanDerWaalsContact O-N 3.13Å
336L91.4Very high73.6Confident20 Ų2070.8 Ų70.811%0.10538%0.376CS..  trans-56.6123.6-179.3-171.971.1000110.8Q340 F341 W376 Q379 K380L336-Q340 HydrophobicContact CD1-CB 3.72Å; L336-F341 HydrophobicContact CD2-CB 4.2Å; L336-W376 HydrophobicContact CD2-CZ3 4.3Å; L336-W376 WeakPolarHBondContact O-CH2 3.23Å; L336-Q379 HydrophobicContact CD2-CG 3.64Å; L336-Q379 VanDerWaalsContact CD2-NE2 3.3Å; L336-K380 PolarHBondContact O-NZ 3.37Å; L336-K380 VanDerWaalsContact O-NZ 3.11Å
337Q94.2Very high76.4Confident47 Ų4769 Ų6922%0.2237%0.372CS..  trans-89.9156.6177.2-63.1-165.2-1300111.1S335 W339 Q340 F341 P428S335-Q337 PolarHBondContact O-N 2.72Å; S335-Q337 VanDerWaalsContact O-N 3.13Å; Q337-W339 VanDerWaalsContact C-N 3.33Å; Q337-W339 PolarHBondContact O-N 2.99Å; Q337-W339 VanDerWaalsContact OE1-CD1 3.25Å; Q337-Q340 HydrophobicContact CB-CG 4.4Å; Q337-Q340 PolarHBondContact O-N 2.93Å; Q337-F341 PolarHBondContact O-N 2.99Å; Q337-F341 VanDerWaalsContact O-N 3.15Å; Q337-P428 HydrophobicContact CG-CB 4.31Å; Q337-P428 PolarHBondContact NE2-O 3.44Å
338L96.3Very high79.3Confident2 Ų270.9 Ų70.91%0.0137%0.371CS..Hα-helixtrans-61.6-41.8-177172.567.7000111.4Q340 F341 L342 W376 L390 S393 L394 Y397L338-Q340 VanDerWaalsContact C-N 3.3Å; L338-Q340 PolarHBondContact O-N 3.19Å; L338-F341 HydrophobicContact CD1-CD1 4.11Å; L338-F341 WeakPolarHBondContact O-CB 3.26Å; L338-F341 PolarHBondContact O-N 3.48Å; L338-F341 VanDerWaalsContact O-N 3.17Å; L338-L342 HydrophobicContact CD1-CD1 4.34Å; L338-L342 HydrophobicContact CD1-CD2 4.34Å; L338-L342 HydrophobicContact CD1-CG 4.1Å; L338-L342 HydrophobicContact CG-CD1 4.03Å; L338-L342 HydrophobicContact CG-CG 4.23Å; L338-L342 WeakPolarHBondContact O-CG 3.4Å; L338-L342 PolarHBondContact O-N 2.76Å; L338-W376 HydrophobicContact CB-CH2 4.27Å; L338-W376 HydrophobicContact CB-CZ2 3.94Å; L338-W376 HydrophobicContact CD1-CB 4.48Å; L338-W376 HydrophobicContact CD1-CD2 3.77Å; L338-W376 HydrophobicContact CD1-CE3 4.23Å; L338-W376 HydrophobicContact CD1-CG 3.87Å; L338-W376 HydrophobicContact CD1-CZ2 4.44Å; L338-L390 HydrophobicContact CD1-CD1 3.87Å; L338-L390 HydrophobicContact CD1-CD2 4.44Å; L338-L390 HydrophobicContact CD1-CG 3.97Å; L338-L390 HydrophobicContact CD2-CD2 3.87Å; L338-L390 HydrophobicContact CD2-CG 3.78Å; L338-S393 VanDerWaalsContact CD2-CB 3.44Å; L338-L394 HydrophobicContact CD2-CD2 4.33Å; L338-L394 HydrophobicContact CD2-CG 4.37Å; L338-Y397 HydrophobicContact CB-CE2 3.91Å; L338-Y397 HydrophobicContact CD2-CE2 4.04Å; L338-Y397 HydrophobicContact CG-CE2 4.15Å; L338-Y397 PolarHBondContact N-OH 2.86Å
339W95.1Very high82Confident33 Ų3371 Ų7113%0.12537%0.373CS..Hα-helixtrans-62-38.7-179.473.4-99.9000112.4Q337 F341 L342 V343 Y397 M403 F415 L425Q337-W339 VanDerWaalsContact C-N 3.33Å; Q337-W339 PolarHBondContact O-N 2.99Å; Q337-W339 VanDerWaalsContact OE1-CD1 3.25Å; W339-F341 VanDerWaalsContact C-N 3.32Å; W339-F341 PolarHBondContact O-N 2.79Å; W339-L342 PolarHBondContact O-N 3.08Å; W339-V343 HydrophobicContact CE3-CG2 4.28Å; W339-V343 WeakPolarHBondContact O-CG2 3.38Å; W339-V343 PolarHBondContact O-N 3.39Å; W339-Y397 HydrophobicContact CB-CD2 4.39Å; W339-Y397 HydrophobicContact CB-CE2 3.91Å; W339-Y397 AromaticContact CD1-CZ 3.88Å; W339-Y397 PolarHBondContact N-OH 3.13Å; W339-M403 HydrophobicContact CB-CE 3.7Å; W339-F415 HydrophobicContact CB-CE1 4.07Å; W339-F415 HydrophobicContact CE3-CE1 4.43Å; W339-L425 HydrophobicContact CD2-CD2 3.35Å; W339-L425 VanDerWaalsContact CE2-CD2 3.43Å; W339-L425 HydrophobicContact CE3-CD2 3.48Å; W339-L425 VanDerWaalsContact CE3-CD2 3.48Å; W339-L425 HydrophobicContact CG-CD2 3.99Å; W339-L425 HydrophobicContact CH2-CB 4.17Å; W339-L425 HydrophobicContact CH2-CD2 3.77Å; W339-L425 HydrophobicContact CZ2-CB 4.23Å; W339-L425 HydrophobicContact CZ2-CD2 3.66Å; W339-L425 WeakPolarHBondContact CZ2-O 3.41Å; W339-L425 HydrophobicContact CZ3-CD2 3.7Å
340Q94.9Very high84.6Confident53 Ų5367.4 Ų67.425%0.24836%0.358CS..Hα-helixtrans-63.9-41.9176.1-64.4171.1-35.900110.7L336 Q337 L338 V343 A344L336-Q340 HydrophobicContact CD1-CB 3.72Å; Q337-Q340 HydrophobicContact CB-CG 4.4Å; Q337-Q340 PolarHBondContact O-N 2.93Å; L338-Q340 VanDerWaalsContact C-N 3.3Å; L338-Q340 PolarHBondContact O-N 3.19Å; Q340-V343 PolarHBondContact O-N 3.13Å; Q340-A344 PolarHBondContact O-N 2.97Å
341F97.1Very high87Confident16 Ų1661.1 Ų61.17%0.0734%0.335CS..Hα-helixtrans-62.8-42.7175.2171.5-102.1000112.3L336 Q337 L338 W339 A344 L345 L375 W376 Q379L336-F341 HydrophobicContact CD2-CB 4.2Å; Q337-F341 PolarHBondContact O-N 2.99Å; Q337-F341 VanDerWaalsContact O-N 3.15Å; L338-F341 HydrophobicContact CD1-CD1 4.11Å; L338-F341 WeakPolarHBondContact O-CB 3.26Å; L338-F341 PolarHBondContact O-N 3.48Å; L338-F341 VanDerWaalsContact O-N 3.17Å; W339-F341 VanDerWaalsContact C-N 3.32Å; W339-F341 PolarHBondContact O-N 2.79Å; F341-A344 PolarHBondContact O-N 2.9Å; F341-L345 HydrophobicContact CD1-CD1 4.18Å; F341-L345 HydrophobicContact CE1-CD1 3.46Å; F341-L345 VanDerWaalsContact CE1-CD1 3.46Å; F341-L345 HydrophobicContact CE1-CG 4.17Å; F341-L345 HydrophobicContact CE2-CD1 4.3Å; F341-L345 HydrophobicContact CE2-CD2 4.27Å; F341-L345 HydrophobicContact CE2-CG 4.23Å; F341-L345 HydrophobicContact CZ-CD1 3.54Å; F341-L345 HydrophobicContact CZ-CD2 4.17Å; F341-L345 HydrophobicContact CZ-CG 3.96Å; F341-L345 WeakPolarHBondContact O-CG 3.48Å; F341-L345 PolarHBondContact O-N 3.25Å; F341-L375 HydrophobicContact CZ-CB 3.75Å; F341-W376 HydrophobicContact CB-CE3 3.77Å; F341-W376 HydrophobicContact CB-CZ3 3.56Å; F341-W376 HydrophobicContact CD1-CB 4.17Å; F341-W376 HydrophobicContact CD1-CD2 4.18Å; F341-W376 AromaticContact CD1-CE3 3.5Å; F341-W376 HydrophobicContact CD1-CE3 3.5Å; F341-W376 HydrophobicContact CD1-CG 4.49Å; F341-W376 HydrophobicContact CD1-CZ3 4.21Å; F341-W376 HydrophobicContact CD2-CE3 4.01Å; F341-W376 HydrophobicContact CD2-CZ3 4.34Å; F341-W376 HydrophobicContact CE1-CB 3.68Å; F341-W376 HydrophobicContact CE1-CE3 4.05Å; F341-W376 HydrophobicContact CE1-CG 4.45Å; F341-W376 HydrophobicContact CE2-CE3 4.5Å; F341-W376 AromaticContact CG-CE3 3.46Å; F341-W376 HydrophobicContact CG-CE3 3.46Å; F341-W376 VanDerWaalsContact CG-CE3 3.46Å; F341-W376 AromaticContact CG-CZ3 3.78Å; F341-W376 HydrophobicContact CG-CZ3 3.78Å; F341-W376 HydrophobicContact CZ-CB 4.25Å; F341-Q379 HydrophobicContact CD2-CB 4.22Å; F341-Q379 HydrophobicContact CD2-CG 3.95Å; F341-Q379 HydrophobicContact CE2-CB 3.99Å; F341-Q379 HydrophobicContact CE2-CG 4.19Å
342L97.6Very high89.4Confident0 Ų058.7 Ų58.70%033%0.332CS..Hα-helixtrans-63.7-42.4176.8-66.1173.1000111.6L338 W339 A344 L345 L346 I355 F364 L366 V372 L394 M403L338-L342 HydrophobicContact CD1-CD1 4.34Å; L338-L342 HydrophobicContact CD1-CD2 4.34Å; L338-L342 HydrophobicContact CD1-CG 4.1Å; L338-L342 HydrophobicContact CG-CD1 4.03Å; L338-L342 HydrophobicContact CG-CG 4.23Å; L338-L342 WeakPolarHBondContact O-CG 3.4Å; L338-L342 PolarHBondContact O-N 2.76Å; W339-L342 PolarHBondContact O-N 3.08Å; L342-A344 VanDerWaalsContact C-N 3.32Å; L342-A344 PolarHBondContact O-N 2.98Å; L342-L345 PolarHBondContact O-N 2.86Å; L342-L346 VanDerWaalsContact O-CB 3.32Å; L342-L346 WeakPolarHBondContact O-CB 3.32Å; L342-L346 WeakPolarHBondContact O-CD1 3.35Å; L342-L346 VanDerWaalsContact O-CG 3.24Å; L342-L346 WeakPolarHBondContact O-CG 3.25Å; L342-L346 PolarHBondContact O-N 3.07Å; L342-I355 HydrophobicContact CB-CD1 4.5Å; L342-I355 HydrophobicContact CD2-CD1 3.8Å; L342-F364 HydrophobicContact CD1-CE2 4.39Å; L342-F364 HydrophobicContact CD1-CZ 4.2Å; L342-L366 HydrophobicContact CD2-CD2 4.2Å; L342-V372 HydrophobicContact CD2-CG1 3.62Å; L342-L394 HydrophobicContact CD1-CD2 3.72Å; L342-M403 HydrophobicContact CD1-CE 4.15Å
343V96.3Very high91.8Very high53 Ų5354.2 Ų54.232%0.32132%0.319SS..Hα-helixtrans-59.6-44.2174173.20000110.7W339 Q340 L345 L346 D347 F415W339-V343 HydrophobicContact CE3-CG2 4.28Å; W339-V343 WeakPolarHBondContact O-CG2 3.38Å; W339-V343 PolarHBondContact O-N 3.39Å; Q340-V343 PolarHBondContact O-N 3.13Å; V343-L345 VanDerWaalsContact C-N 3.32Å; V343-L345 PolarHBondContact O-N 3.12Å; V343-L346 CarbonylContact O-C 3.53Å; V343-L346 PolarHBondContact O-N 2.71Å; V343-L346 VanDerWaalsContact O-N 3.12Å; V343-D347 PolarHBondContact O-N 2.6Å; V343-F415 HydrophobicContact CG2-CE1 4.01Å; V343-F415 HydrophobicContact CG2-CE2 3.99Å; V343-F415 HydrophobicContact CG2-CZ 3.48Å; V343-F415 VanDerWaalsContact CG2-CZ 3.48Å
344A96.3Very high93.7Very high46 Ų4648 Ų4838%0.3830%0.296SS..Hα-helixtrans-62.6-36.7178.200000113Q340 F341 L342Q340-A344 PolarHBondContact O-N 2.97Å; F341-A344 PolarHBondContact O-N 2.9Å; L342-A344 VanDerWaalsContact C-N 3.32Å; L342-A344 PolarHBondContact O-N 2.98Å
345L97.6Very high95.5Very high20 Ų2044.7 Ų44.711%0.10526%0.262CS..Hα-helixtrans-69.3-37173.5-66.7180000112.2F341 L342 V343 D347 N351 F354 I355 V372 L375F341-L345 HydrophobicContact CD1-CD1 4.18Å; F341-L345 HydrophobicContact CE1-CD1 3.46Å; F341-L345 VanDerWaalsContact CE1-CD1 3.46Å; F341-L345 HydrophobicContact CE1-CG 4.17Å; F341-L345 HydrophobicContact CE2-CD1 4.3Å; F341-L345 HydrophobicContact CE2-CD2 4.27Å; F341-L345 HydrophobicContact CE2-CG 4.23Å; F341-L345 HydrophobicContact CZ-CD1 3.54Å; F341-L345 HydrophobicContact CZ-CD2 4.17Å; F341-L345 HydrophobicContact CZ-CG 3.96Å; F341-L345 WeakPolarHBondContact O-CG 3.48Å; F341-L345 PolarHBondContact O-N 3.25Å; L342-L345 PolarHBondContact O-N 2.86Å; V343-L345 VanDerWaalsContact C-N 3.32Å; V343-L345 PolarHBondContact O-N 3.12Å; L345-D347 VanDerWaalsContact C-N 3.33Å; L345-N351 WeakPolarHBondContact O-CB 3.24Å; L345-N351 PolarHBondContact O-ND2 2.84Å; L345-F354 HydrophobicContact CD1-CE2 4.19Å; L345-F354 HydrophobicContact CD2-CE2 4.24Å; L345-I355 HydrophobicContact CB-CD1 4.39Å; L345-I355 HydrophobicContact CB-CG2 3.69Å; L345-I355 HydrophobicContact CD1-CG2 4.29Å; L345-V372 HydrophobicContact CD1-CG1 4.17Å; L345-L375 HydrophobicContact CD1-CD1 4.47Å; L345-L375 HydrophobicContact CD2-CD1 4.3Å
346L97.4Very high96.2Very high8 Ų842.8 Ų42.84%0.04225%0.25CC..Hα-helixtrans-74.3-20.7-179-79.4166.2000114L342 V343 D348 I355 W357 F364 F415L342-L346 VanDerWaalsContact O-CB 3.32Å; L342-L346 WeakPolarHBondContact O-CB 3.32Å; L342-L346 WeakPolarHBondContact O-CD1 3.35Å; L342-L346 VanDerWaalsContact O-CG 3.24Å; L342-L346 WeakPolarHBondContact O-CG 3.25Å; L342-L346 PolarHBondContact O-N 3.07Å; V343-L346 CarbonylContact O-C 3.53Å; V343-L346 PolarHBondContact O-N 2.71Å; V343-L346 VanDerWaalsContact O-N 3.12Å; L346-D348 VanDerWaalsContact C-N 3.35Å; L346-I355 HydrophobicContact CD1-CD1 4.24Å; L346-I355 HydrophobicContact CD2-CD1 4.2Å; L346-I355 HydrophobicContact CD2-CG1 3.75Å; L346-I355 HydrophobicContact CG-CD1 3.85Å; L346-I355 HydrophobicContact CG-CG1 3.98Å; L346-W357 HydrophobicContact CB-CD2 4.43Å; L346-W357 HydrophobicContact CB-CZ2 3.68Å; L346-W357 HydrophobicContact CD1-CD2 4.45Å; L346-W357 HydrophobicContact CD1-CE3 4.46Å; L346-W357 HydrophobicContact CD1-CH2 3.76Å; L346-W357 HydrophobicContact CD1-CZ2 3.76Å; L346-W357 HydrophobicContact CD1-CZ3 4.12Å; L346-W357 HydrophobicContact CD2-CD2 4.05Å; L346-W357 HydrophobicContact CD2-CG 4.17Å; L346-W357 HydrophobicContact CG-CZ2 4.21Å; L346-W357 PolarHBondContact O-NE1 2.8Å; L346-F364 HydrophobicContact CD1-CB 3.7Å; L346-F364 HydrophobicContact CD1-CD1 4.04Å; L346-F364 HydrophobicContact CD1-CD2 3.98Å; L346-F364 HydrophobicContact CD1-CG 3.65Å; L346-F364 HydrophobicContact CD2-CB 3.71Å; L346-F364 HydrophobicContact CD2-CG 4.43Å; L346-F364 HydrophobicContact CG-CB 4.37Å; L346-F415 HydrophobicContact CD1-CE2 4.26Å
347D96.6Very high96.5Very high132 Ų13246.2 Ų46.271%0.70626%0.261SS*.Hα-helixtrans-69.7-33.7177.4-166.149.6000111.9V343 L345 P349V343-D347 PolarHBondContact O-N 2.6Å; L345-D347 VanDerWaalsContact C-N 3.33Å; D347-P349 WeakPolarHBondContact O-CD 3.49Å
348D94.7Very high96.6Very high85 Ų8546.5 Ų46.546%0.45527%0.266SS..  trans-92.2110.9176.6-179.12.5000111.1L346 G350 N351L346-D348 VanDerWaalsContact C-N 3.35Å; D348-G350 PolarHBondContact O-N 2.82Å; D348-G350 VanDerWaalsContact O-N 3.13Å; D348-G350 WeakPolarHBondContact OD1-CA 3.49Å; D348-G350 PolarHBondContact OD1-N 2.9Å; D348-N351 WeakPolarHBondContact O-CB 3.41Å; D348-N351 PolarHBondContact O-N 3.48Å
349P93.8Very high96.5Very high103 Ų10349.7 Ų49.767%0.66930%0.3SS*.G310 helixtrans-64.9-15.8178.228.7-35.5000113.2D347 N351 S352D347-P349 WeakPolarHBondContact O-CD 3.49Å; P349-N351 PolarHBondContact O-N 2.88Å; P349-S352 WeakPolarHBondContact O-CB 3.34Å; P349-S352 PolarHBondContact O-N 3.31Å; P349-S352 VanDerWaalsContact O-N 3.13Å; P349-S352 PolarHBondContact O-OG 3.24Å
350G95.9Very high96.5Very high43 Ų4355 Ų5544%0.44332%0.32SS..G310 helixtrans-59.1-25.9171.100000113.1D348 S352 H353D348-G350 PolarHBondContact O-N 2.82Å; D348-G350 VanDerWaalsContact O-N 3.13Å; D348-G350 WeakPolarHBondContact OD1-CA 3.49Å; D348-G350 PolarHBondContact OD1-N 2.9Å; G350-S352 VanDerWaalsContact C-N 3.26Å; G350-S352 PolarHBondContact O-N 2.96Å; G350-H353 PolarHBondContact O-CE1 2.91Å; G350-H353 PolarHBondContact O-ND1 2.96Å
351N96.8Very high96.5Very high29 Ų2955.4 Ų55.416%0.15534%0.338CS..G310 helixtrans-82.50.3178.9-62.4-31.1000114L345 D348 P349 H353 F354 I355L345-N351 WeakPolarHBondContact O-CB 3.24Å; L345-N351 PolarHBondContact O-ND2 2.84Å; D348-N351 WeakPolarHBondContact O-CB 3.41Å; D348-N351 PolarHBondContact O-N 3.48Å; P349-N351 PolarHBondContact O-N 2.88Å; N351-H353 PolarHBondContact O-N 3.43Å; N351-F354 HydrophobicContact CB-CD2 4.47Å; N351-F354 HydrophobicContact CB-CE1 4.02Å; N351-F354 HydrophobicContact CB-CE2 3.66Å; N351-F354 HydrophobicContact CB-CZ 3.39Å; N351-F354 PolarHBondContact O-N 3.36Å; N351-F354 WeakPolarHBondContact OD1-CZ 3.26Å; N351-I355 CarbonylContact C-O 3.54Å; N351-I355 HydrophobicContact CB-CG2 4.12Å; N351-I355 PolarHBondContact O-N 3.11Å
352S96.8Very high96.4Very high65 Ų6558.8 Ų58.846%0.45536%0.355SS..G310 helixtrans-57.5-12.9-176.255.20000115.6P349 G350 I355 I367P349-S352 WeakPolarHBondContact O-CB 3.34Å; P349-S352 PolarHBondContact O-N 3.31Å; P349-S352 VanDerWaalsContact O-N 3.13Å; P349-S352 PolarHBondContact O-OG 3.24Å; G350-S352 VanDerWaalsContact C-N 3.26Å; G350-S352 PolarHBondContact O-N 2.96Å; S352-I355 WeakPolarHBondContact CA-O 3.37Å; S352-I367 WeakPolarHBondContact O-CD1 3.42Å
353H97.4Very high96.4Very high112 Ų11259.5 Ų59.552%0.51936%0.358SS..G310 helixtrans-77.4-27.4175.356.2-73.5000113G350 N351 I367G350-H353 PolarHBondContact O-CE1 2.91Å; G350-H353 PolarHBondContact O-ND1 2.96Å; N351-H353 PolarHBondContact O-N 3.43Å; H353-I367 VanDerWaalsContact O-CG2 3.27Å; H353-I367 WeakPolarHBondContact O-CG2 3.15Å
354F98.1Very high96.4Very high10 Ų1057 Ų574%0.04434%0.343CS..THydrogen-bonded Turntrans-117.4-23.9177.456.4-102.7000114.1L345 N351 I367 E368 E371 V372 L375L345-F354 HydrophobicContact CD1-CE2 4.19Å; L345-F354 HydrophobicContact CD2-CE2 4.24Å; N351-F354 HydrophobicContact CB-CD2 4.47Å; N351-F354 HydrophobicContact CB-CE1 4.02Å; N351-F354 HydrophobicContact CB-CE2 3.66Å; N351-F354 HydrophobicContact CB-CZ 3.39Å; N351-F354 PolarHBondContact O-N 3.36Å; N351-F354 WeakPolarHBondContact OD1-CZ 3.26Å; F354-I367 PolarHBondContact O-N 3.32Å; F354-E368 HydrophobicContact CB-CB 3.8Å; F354-E368 HydrophobicContact CB-CG 4.42Å; F354-E368 PolarHBondContact O-N 3.22Å; F354-E371 HydrophobicContact CB-CB 4.11Å; F354-E371 HydrophobicContact CB-CG 4.06Å; F354-E371 HydrophobicContact CD1-CG 4.13Å; F354-E371 HydrophobicContact CG-CG 4.07Å; F354-V372 HydrophobicContact CD2-CG2 3.9Å; F354-L375 HydrophobicContact CD2-CD1 4.24Å; F354-L375 HydrophobicContact CE1-CD1 4.33Å; F354-L375 HydrophobicContact CE2-CD1 3.6Å; F354-L375 HydrophobicContact CZ-CD1 3.65Å
355I98.4Very high96.5Very high2 Ų258.4 Ų58.41%0.0134%0.341CS..EExtended strand (participates in β ladder)trans-151.3132.5175.3-169.6176.3000110.5L342 L345 L346 N351 S352 F364 K365 L366 V372L342-I355 HydrophobicContact CB-CD1 4.5Å; L342-I355 HydrophobicContact CD2-CD1 3.8Å; L345-I355 HydrophobicContact CB-CD1 4.39Å; L345-I355 HydrophobicContact CB-CG2 3.69Å; L345-I355 HydrophobicContact CD1-CG2 4.29Å; L346-I355 HydrophobicContact CD1-CD1 4.24Å; L346-I355 HydrophobicContact CD2-CD1 4.2Å; L346-I355 HydrophobicContact CD2-CG1 3.75Å; L346-I355 HydrophobicContact CG-CD1 3.85Å; L346-I355 HydrophobicContact CG-CG1 3.98Å; N351-I355 CarbonylContact C-O 3.54Å; N351-I355 HydrophobicContact CB-CG2 4.12Å; N351-I355 PolarHBondContact O-N 3.11Å; S352-I355 WeakPolarHBondContact CA-O 3.37Å; I355-F364 HydrophobicContact CD1-CD2 4.34Å; I355-F364 HydrophobicContact CG1-CD2 4.4Å; I355-K365 WeakPolarHBondContact CA-O 3.24Å; I355-L366 HydrophobicContact CD1-CD2 3.81Å; I355-L366 HydrophobicContact CG1-CD2 4.1Å; I355-V372 HydrophobicContact CB-CG2 3.95Å; I355-V372 HydrophobicContact CD1-CG2 4.44Å
356A98.2Very high96.6Very high20 Ų2057.5 Ų57.517%0.16534%0.336CS..EExtended strand (participates in β ladder)trans-149.4150.8-17700000112.8F364 K365 I367A356-F364 CarbonylContact O-C 3.57Å; A356-F364 VanDerWaalsContact O-CA 3.24Å; A356-F364 WeakPolarHBondContact O-CA 3.29Å; A356-F364 WeakPolarHBondContact O-CB 3.15Å; A356-K365 PolarHBondContact N-O 3.34Å; A356-K365 VanDerWaalsContact N-O 3.07Å; A356-K365 PolarHBondContact O-N 3.2Å; A356-I367 HydrophobicContact CB-CD1 3.81Å
357W97.9Very high96.6Very high91 Ų9160.9 Ų60.935%0.34535%0.353SS..EExtended strand (participates in β ladder)trans-65.1138.3160.9-63.8112.4000109.7L346 G359 M362 F364 F415L346-W357 HydrophobicContact CB-CD2 4.43Å; L346-W357 HydrophobicContact CB-CZ2 3.68Å; L346-W357 HydrophobicContact CD1-CD2 4.45Å; L346-W357 HydrophobicContact CD1-CE3 4.46Å; L346-W357 HydrophobicContact CD1-CH2 3.76Å; L346-W357 HydrophobicContact CD1-CZ2 3.76Å; L346-W357 HydrophobicContact CD1-CZ3 4.12Å; L346-W357 HydrophobicContact CD2-CD2 4.05Å; L346-W357 HydrophobicContact CD2-CG 4.17Å; L346-W357 HydrophobicContact CG-CZ2 4.21Å; L346-W357 PolarHBondContact O-NE1 2.8Å; W357-G359 PolarHBondContact O-N 3.28Å; W357-M362 HydrophobicContact CH2-CE 3.81Å; W357-M362 HydrophobicContact CZ2-CE 4.5Å; W357-M362 HydrophobicContact CZ3-CB 4.44Å; W357-M362 HydrophobicContact CZ3-CE 4.36Å; W357-M362 WeakPolarHBondContact CZ3-O 3.32Å; W357-F364 HydrophobicContact CE3-CB 3.83Å; W357-F364 HydrophobicContact CZ3-CB 4.01Å; W357-F364 HydrophobicContact CZ3-CD1 4.19Å; W357-F415 AromaticContact CH2-CD2 3.86Å; W357-F415 HydrophobicContact CH2-CD2 3.86Å; W357-F415 AromaticContact CH2-CE2 3.95Å; W357-F415 HydrophobicContact CH2-CE2 3.95Å; W357-F415 HydrophobicContact CZ3-CD2 4.08Å; W357-F415 HydrophobicContact CZ3-CE2 4.4Å
358T96.4Very high96.7Very high53 Ų5359.5 Ų59.533%0.32534%0.342SS..  trans-82.1-6.4176.767.30000112.6R360 E363 K365 V412T358-R360 PolarHBondContact O-N 3.2Å; T358-R360 PolarHBondContact OG1-N 2.9Å; T358-E363 VanDerWaalsContact CB-OE1 3.26Å; T358-E363 WeakPolarHBondContact CB-OE1 2.91Å; T358-E363 HydrophobicContact CG2-CG 4.07Å; T358-E363 VanDerWaalsContact CG2-OE1 3.29Å; T358-E363 WeakPolarHBondContact CG2-OE1 3.2Å; T358-E363 PolarHBondContact N-O 3.2Å; T358-E363 WeakPolarHBondContact OG1-CB 3.42Å; T358-E363 PolarHBondContact OG1-O 3.06Å; T358-E363 PolarHBondContact OG1-OE1 2.86Å; T358-K365 HydrophobicContact CG2-CB 4.09Å; T358-V412 HydrophobicContact CG2-CG1 4.47Å
359G94.3Very high96.9Very high70 Ų7056.2 Ų56.272%0.72233%0.326SS*.SBendtrans80.6-1.4-171.500000113.8W357 G361W357-G359 PolarHBondContact O-N 3.28Å; G359-G361 PolarHBondContact O-N 3.3Å
360R94.6Very high97.1Very high145 Ų14556.6 Ų56.655%0.54732%0.319SS..SBendtrans-9671178.9-61.8-170.6-67.1-163.3-1.5111.3T358 M362 E363T358-R360 PolarHBondContact O-N 3.2Å; T358-R360 PolarHBondContact OG1-N 2.9Å; R360-M362 PolarHBondContact O-N 3.37Å; R360-E363 HydrophobicContact CB-CB 4.24Å; R360-E363 IonicContact CZ-OE1 3.67Å; R360-E363 IonicContact CZ-OE2 3.16Å; R360-E363 IonicContact NE-OE1 3.03Å; R360-E363 PolarHBondContact NE-OE1 3.39Å; R360-E363 IonicContact NE-OE2 2.8Å; R360-E363 IonicContact NH2-OE1 3.98Å; R360-E363 PolarHBondContact NH2-OE1 2.96Å; R360-E363 IonicContact NH2-OE2 2.71Å; R360-E363 PolarHBondContact NH2-OE2 3.2Å; R360-E363 VanDerWaalsContact O-CB 3.25Å; R360-E363 WeakPolarHBondContact O-CB 3.24Å; R360-E363 PolarHBondContact O-N 3.14Å
361G93.6Very high97.2Very high60 Ų6057 Ų5762%0.61931%0.309SS*.SBendtrans62.7-131.6-175.600000111G359 E363G359-G361 PolarHBondContact O-N 3.3Å; G361-E363 PolarHBondContact O-N 3.15Å
362M95.1Very high97.3Very high88 Ų8855.6 Ų55.643%0.43330%0.302SS..SBendtrans-8529.3178.6-61.1-62.6-69.600113.8W357 R360 K414 F415W357-M362 HydrophobicContact CH2-CE 3.81Å; W357-M362 HydrophobicContact CZ2-CE 4.5Å; W357-M362 HydrophobicContact CZ3-CB 4.44Å; W357-M362 HydrophobicContact CZ3-CE 4.36Å; W357-M362 WeakPolarHBondContact CZ3-O 3.32Å; R360-M362 PolarHBondContact O-N 3.37Å; M362-K414 CarbonylContact O-C 3.59Å; M362-K414 WeakPolarHBondContact O-CA 3.21Å; M362-F415 HydrophobicContact CB-CB 3.97Å; M362-F415 HydrophobicContact CE-CB 4.31Å; M362-F415 HydrophobicContact CE-CD2 4.5Å; M362-F415 PolarHBondContact O-N 2.68Å
363E97.4Very high97.4Very high14 Ų1452.5 Ų52.57%0.06528%0.28CS..EExtended strand (participates in β ladder)trans-92.2131.3178.1-174.3-169.290.400111.1T358 R360 G361 V406 V412 Y413 K414T358-E363 VanDerWaalsContact CB-OE1 3.26Å; T358-E363 WeakPolarHBondContact CB-OE1 2.91Å; T358-E363 HydrophobicContact CG2-CG 4.07Å; T358-E363 VanDerWaalsContact CG2-OE1 3.29Å; T358-E363 WeakPolarHBondContact CG2-OE1 3.2Å; T358-E363 PolarHBondContact N-O 3.2Å; T358-E363 WeakPolarHBondContact OG1-CB 3.42Å; T358-E363 PolarHBondContact OG1-O 3.06Å; T358-E363 PolarHBondContact OG1-OE1 2.86Å; R360-E363 HydrophobicContact CB-CB 4.24Å; R360-E363 IonicContact CZ-OE1 3.67Å; R360-E363 IonicContact CZ-OE2 3.16Å; R360-E363 IonicContact NE-OE1 3.03Å; R360-E363 PolarHBondContact NE-OE1 3.39Å; R360-E363 IonicContact NE-OE2 2.8Å; R360-E363 IonicContact NH2-OE1 3.98Å; R360-E363 PolarHBondContact NH2-OE1 2.96Å; R360-E363 IonicContact NH2-OE2 2.71Å; R360-E363 PolarHBondContact NH2-OE2 3.2Å; R360-E363 VanDerWaalsContact O-CB 3.25Å; R360-E363 WeakPolarHBondContact O-CB 3.24Å; R360-E363 PolarHBondContact O-N 3.14Å; G361-E363 PolarHBondContact O-N 3.15Å; E363-V406 HydrophobicContact CG-CG2 4.11Å; E363-V412 HydrophobicContact CG-CG1 3.59Å; E363-Y413 CarbonylContact C-O 3.58Å; E363-Y413 WeakPolarHBondContact CA-O 3.44Å; E363-Y413 WeakPolarHBondContact CG-O 3.18Å; E363-K414 HydrophobicContact CB-CB 4.23Å; E363-K414 HydrophobicContact CB-CG 4.18Å; E363-K414 HydrophobicContact CG-CB 4.41Å
364F98.3Very high97.4Very high0 Ų053 Ų530%028%0.278CS..EExtended strand (participates in β ladder)trans-130.8159.2178.270.5-85.8000112L342 L346 I355 A356 W357 L366 M403 V412 Y413 F415L342-F364 HydrophobicContact CD1-CE2 4.39Å; L342-F364 HydrophobicContact CD1-CZ 4.2Å; L346-F364 HydrophobicContact CD1-CB 3.7Å; L346-F364 HydrophobicContact CD1-CD1 4.04Å; L346-F364 HydrophobicContact CD1-CD2 3.98Å; L346-F364 HydrophobicContact CD1-CG 3.65Å; L346-F364 HydrophobicContact CD2-CB 3.71Å; L346-F364 HydrophobicContact CD2-CG 4.43Å; L346-F364 HydrophobicContact CG-CB 4.37Å; I355-F364 HydrophobicContact CD1-CD2 4.34Å; I355-F364 HydrophobicContact CG1-CD2 4.4Å; A356-F364 CarbonylContact O-C 3.57Å; A356-F364 VanDerWaalsContact O-CA 3.24Å; A356-F364 WeakPolarHBondContact O-CA 3.29Å; A356-F364 WeakPolarHBondContact O-CB 3.15Å; W357-F364 HydrophobicContact CE3-CB 3.83Å; W357-F364 HydrophobicContact CZ3-CB 4.01Å; W357-F364 HydrophobicContact CZ3-CD1 4.19Å; F364-L366 HydrophobicContact CE2-CD2 4.37Å; F364-L366 HydrophobicContact CE2-CG 4.38Å; F364-M403 HydrophobicContact CE1-CE 4.38Å; F364-M403 HydrophobicContact CE1-SD 4.46Å; F364-M403 HydrophobicContact CZ-CE 4.26Å; F364-M403 HydrophobicContact CZ-SD 4.3Å; F364-V412 WeakPolarHBondContact O-CA 3.29Å; F364-V412 WeakPolarHBondContact O-CG1 3.26Å; F364-Y413 WeakPolarHBondContact CD1-O 3.47Å; F364-Y413 HydrophobicContact CE2-CD2 4.27Å; F364-Y413 HydrophobicContact CZ-CD2 4.39Å; F364-Y413 HydrophobicContact CZ-CG 4.26Å; F364-Y413 PolarHBondContact N-O 2.95Å; F364-Y413 PolarHBondContact O-N 3.37Å; F364-Y413 VanDerWaalsContact O-O 3.04Å; F364-F415 AromaticContact CD1-CD2 3.82Å; F364-F415 HydrophobicContact CD1-CD2 3.82Å; F364-F415 AromaticContact CD1-CE2 3.66Å; F364-F415 HydrophobicContact CD1-CE2 3.66Å; F364-F415 AromaticContact CE1-CD2 3.69Å; F364-F415 HydrophobicContact CE1-CD2 3.69Å; F364-F415 AromaticContact CE1-CE2 3.38Å; F364-F415 HydrophobicContact CE1-CE2 3.38Å; F364-F415 HydrophobicContact CE1-CZ 4.13Å; F364-F415 HydrophobicContact CZ-CE2 4.24Å
365K98.3Very high97.4Very high77 Ų7753.7 Ų53.734%0.33528%0.281SS..EExtended strand (participates in β ladder)trans-124.9133.5177.4-174.3166-172.3164.50110.2I355 A356 T358 I367 E409 V412I355-K365 WeakPolarHBondContact CA-O 3.24Å; A356-K365 PolarHBondContact N-O 3.34Å; A356-K365 VanDerWaalsContact N-O 3.07Å; A356-K365 PolarHBondContact O-N 3.2Å; T358-K365 HydrophobicContact CG2-CB 4.09Å; K365-I367 HydrophobicContact CG-CG1 4.28Å; K365-I367 PolarHBondContact O-N 2.87Å; K365-E409 IonicContact NZ-OE2 3.64Å; K365-V412 HydrophobicContact CB-CG2 4Å; K365-V412 HydrophobicContact CD-CG2 3.72Å; K365-V412 HydrophobicContact CG-CG2 3.72Å
366L98.3Very high97.4Very high1 Ų154.6 Ų54.61%0.00529%0.285CS..EExtended strand (participates in β ladder)trans-83.3102.5164.1-51.6156.9000106.6L342 I355 F364 P369 V372 Y387 L394 Y411 Y413L342-L366 HydrophobicContact CD2-CD2 4.2Å; I355-L366 HydrophobicContact CD1-CD2 3.81Å; I355-L366 HydrophobicContact CG1-CD2 4.1Å; F364-L366 HydrophobicContact CE2-CD2 4.37Å; F364-L366 HydrophobicContact CE2-CG 4.38Å; L366-P369 HydrophobicContact CB-CB 4.26Å; L366-V372 HydrophobicContact CD2-CB 4Å; L366-V372 HydrophobicContact CD2-CG1 3.74Å; L366-V372 HydrophobicContact CD2-CG2 3.77Å; L366-Y387 HydrophobicContact CD1-CE2 3.88Å; L366-L394 HydrophobicContact CD1-CD1 3.82Å; L366-Y411 PolarHBondContact N-O 3.49Å; L366-Y411 VanDerWaalsContact O-CB 3.32Å; L366-Y411 WeakPolarHBondContact O-CB 3.43Å; L366-Y413 HydrophobicContact CD1-CD2 4.24Å; L366-Y413 HydrophobicContact CD1-CE2 3.81Å
367I98.2Very high97.3Very high79 Ų7953.7 Ų53.741%0.40528%0.278SS..SBendtrans-75.4-46.2-177.9-63.6159.9000108.9S352 H353 F354 A356 K365 P369S352-I367 WeakPolarHBondContact O-CD1 3.42Å; H353-I367 VanDerWaalsContact O-CG2 3.27Å; H353-I367 WeakPolarHBondContact O-CG2 3.15Å; F354-I367 PolarHBondContact O-N 3.32Å; A356-I367 HydrophobicContact CB-CD1 3.81Å; K365-I367 HydrophobicContact CG-CG1 4.28Å; K365-I367 PolarHBondContact O-N 2.87Å; I367-P369 WeakPolarHBondContact O-CD 3.5Å
368E98.4Very high97.2Very high102 Ų10255 Ų5548%0.47729%0.289SS..SBendtrans-116.485.7171.3-64.3-172.6166.500109.4F354 E370 E371 V372F354-E368 HydrophobicContact CB-CB 3.8Å; F354-E368 HydrophobicContact CB-CG 4.42Å; F354-E368 PolarHBondContact O-N 3.22Å; E368-E370 PolarHBondContact O-N 3.33Å; E368-E371 HydrophobicContact CB-CB 4.01Å; E368-E371 PolarHBondContact O-N 2.88Å; E368-E371 VanDerWaalsContact O-N 3.14Å; E368-V372 PolarHBondContact O-N 3.17Å
369P98.2Very high97.2Very high17 Ų1754.6 Ų54.611%0.1128%0.283CS..Hα-helixtrans-61-31-174.518.8-29.8000113.8L366 I367 A373 Y387 Y411L366-P369 HydrophobicContact CB-CB 4.26Å; I367-P369 WeakPolarHBondContact O-CD 3.5Å; P369-A373 WeakPolarHBondContact O-CB 3.45Å; P369-A373 PolarHBondContact O-N 2.91Å; P369-A373 VanDerWaalsContact O-N 3.11Å; P369-Y387 HydrophobicContact CB-CD1 4.46Å; P369-Y387 HydrophobicContact CB-CD2 3.36Å; P369-Y387 HydrophobicContact CB-CE2 3.78Å; P369-Y387 HydrophobicContact CB-CG 3.73Å; P369-Y411 HydrophobicContact CB-CD1 4.22Å; P369-Y411 HydrophobicContact CB-CE1 4.34Å; P369-Y411 HydrophobicContact CG-CD1 4.15Å; P369-Y411 HydrophobicContact CG-CD2 4.24Å; P369-Y411 HydrophobicContact CG-CE1 4.04Å; P369-Y411 HydrophobicContact CG-CE2 4.14Å; P369-Y411 HydrophobicContact CG-CG 4.25Å
370E98.3Very high97.2Very high110 Ų11054.1 Ų54.151%0.51426%0.262SS..Hα-helixtrans-71.2-35.7177-64.7-57.7160.600112.4E368 A373 R374 Y387E368-E370 PolarHBondContact O-N 3.33Å; E370-A373 PolarHBondContact O-N 3.19Å; E370-R374 WeakPolarHBondContact O-CB 3.49Å; E370-R374 PolarHBondContact O-N 3.35Å; E370-Y387 WeakPolarHBondContact OE1-CB 3.35Å; E370-Y387 PolarHBondContact OE2-N 3.45Å
371E98.4Very high97.2Very high51 Ų5154.1 Ų54.124%0.23827%0.272CS..Hα-helixtrans-68.5-41.2177.6-178.456-162.500110.9F354 E368 A373 R374 L375F354-E371 HydrophobicContact CB-CB 4.11Å; F354-E371 HydrophobicContact CB-CG 4.06Å; F354-E371 HydrophobicContact CD1-CG 4.13Å; F354-E371 HydrophobicContact CG-CG 4.07Å; E368-E371 HydrophobicContact CB-CB 4.01Å; E368-E371 PolarHBondContact O-N 2.88Å; E368-E371 VanDerWaalsContact O-N 3.14Å; E371-A373 VanDerWaalsContact C-N 3.27Å; E371-A373 PolarHBondContact O-N 2.95Å; E371-R374 WeakPolarHBondContact O-CB 3.42Å; E371-R374 PolarHBondContact O-N 3.38Å; E371-R374 IonicContact OE1-CZ 3.74Å; E371-R374 IonicContact OE1-NE 2.81Å; E371-R374 PolarHBondContact OE1-NE 3.5Å; E371-R374 IonicContact OE1-NH2 3.48Å; E371-R374 PolarHBondContact OE1-NH2 3.13Å; E371-R374 IonicContact OE2-CZ 3.8Å; E371-R374 IonicContact OE2-NE 2.68Å; E371-R374 PolarHBondContact OE2-NE 2.85Å; E371-R374 IonicContact OE2-NH2 3.82Å; E371-L375 HydrophobicContact CG-CD1 4.38Å; E371-L375 WeakPolarHBondContact O-CG 3.44Å; E371-L375 PolarHBondContact O-N 2.7Å
372V98.5Very high97.3Very high1 Ų158.7 Ų58.71%0.00627%0.271CS..Hα-helixtrans-59.6-41.3172.7178.90000111.1L342 L345 F354 I355 L366 E368 L375 W376 L390L342-V372 HydrophobicContact CD2-CG1 3.62Å; L345-V372 HydrophobicContact CD1-CG1 4.17Å; F354-V372 HydrophobicContact CD2-CG2 3.9Å; I355-V372 HydrophobicContact CB-CG2 3.95Å; I355-V372 HydrophobicContact CD1-CG2 4.44Å; L366-V372 HydrophobicContact CD2-CB 4Å; L366-V372 HydrophobicContact CD2-CG1 3.74Å; L366-V372 HydrophobicContact CD2-CG2 3.77Å; E368-V372 PolarHBondContact O-N 3.17Å; V372-L375 PolarHBondContact O-N 3.03Å; V372-W376 WeakPolarHBondContact O-CB 3.47Å; V372-W376 PolarHBondContact O-N 2.9Å; V372-L390 HydrophobicContact CG1-CD1 4.18Å
373A98.5Very high97.3Very high0 Ų060.6 Ų60.60%029%0.29CS..Hα-helixtrans-67.6-38.417700000113.1P369 E370 E371 W376 G377 M385 L390P369-A373 WeakPolarHBondContact O-CB 3.45Å; P369-A373 PolarHBondContact O-N 2.91Å; P369-A373 VanDerWaalsContact O-N 3.11Å; E370-A373 PolarHBondContact O-N 3.19Å; E371-A373 VanDerWaalsContact C-N 3.27Å; E371-A373 PolarHBondContact O-N 2.95Å; A373-W376 PolarHBondContact O-N 3.42Å; A373-G377 PolarHBondContact O-N 3.28Å; A373-M385 HydrophobicContact CB-CG 4.49Å; A373-M385 WeakPolarHBondContact O-CG 3.32Å; A373-L390 HydrophobicContact CB-CB 4.3Å; A373-L390 HydrophobicContact CB-CD1 4.01Å
374R98.3Very high97.3Very high123 Ų12363.2 Ų63.246%0.46431%0.314SS..Hα-helixtrans-62.2-47.5174.6-168.8-164.470.277.1-0.1111.1E370 E371 W376 G377 M378E370-R374 WeakPolarHBondContact O-CB 3.49Å; E370-R374 PolarHBondContact O-N 3.35Å; E371-R374 WeakPolarHBondContact O-CB 3.42Å; E371-R374 PolarHBondContact O-N 3.38Å; E371-R374 IonicContact OE1-CZ 3.74Å; E371-R374 IonicContact OE1-NE 2.81Å; E371-R374 PolarHBondContact OE1-NE 3.5Å; E371-R374 IonicContact OE1-NH2 3.48Å; E371-R374 PolarHBondContact OE1-NH2 3.13Å; E371-R374 IonicContact OE2-CZ 3.8Å; E371-R374 IonicContact OE2-NE 2.68Å; E371-R374 PolarHBondContact OE2-NE 2.85Å; E371-R374 IonicContact OE2-NH2 3.82Å; R374-W376 VanDerWaalsContact C-N 3.32Å; R374-W376 PolarHBondContact O-N 3.11Å; R374-G377 WeakPolarHBondContact O-CA 3.39Å; R374-G377 PolarHBondContact O-N 3.25Å; R374-M378 PolarHBondContact O-N 3.32Å
375L98.1Very high97.3Very high23 Ų2364.4 Ų64.412%0.1232%0.32CS..Hα-helixtrans-62.9-39.3177.1-67.4172.7000111.5F341 L345 F354 E371 V372 M378 Q379F341-L375 HydrophobicContact CZ-CB 3.75Å; L345-L375 HydrophobicContact CD1-CD1 4.47Å; L345-L375 HydrophobicContact CD2-CD1 4.3Å; F354-L375 HydrophobicContact CD2-CD1 4.24Å; F354-L375 HydrophobicContact CE1-CD1 4.33Å; F354-L375 HydrophobicContact CE2-CD1 3.6Å; F354-L375 HydrophobicContact CZ-CD1 3.65Å; E371-L375 HydrophobicContact CG-CD1 4.38Å; E371-L375 WeakPolarHBondContact O-CG 3.44Å; E371-L375 PolarHBondContact O-N 2.7Å; V372-L375 PolarHBondContact O-N 3.03Å; L375-M378 HydrophobicContact CD2-CE 3.63Å; L375-M378 PolarHBondContact O-N 3.31Å; L375-Q379 WeakPolarHBondContact O-CB 3.32Å; L375-Q379 PolarHBondContact O-N 3.39Å
376W97.8Very high97.3Very high21 Ų2163.5 Ų63.58%0.0832%0.319CS..Hα-helixtrans-63.7-42.1173.2178.2-126.7000112.4L336 L338 F341 V372 A373 R374 Q379 K380 L390L336-W376 HydrophobicContact CD2-CZ3 4.3Å; L336-W376 WeakPolarHBondContact O-CH2 3.23Å; L338-W376 HydrophobicContact CB-CH2 4.27Å; L338-W376 HydrophobicContact CB-CZ2 3.94Å; L338-W376 HydrophobicContact CD1-CB 4.48Å; L338-W376 HydrophobicContact CD1-CD2 3.77Å; L338-W376 HydrophobicContact CD1-CE3 4.23Å; L338-W376 HydrophobicContact CD1-CG 3.87Å; L338-W376 HydrophobicContact CD1-CZ2 4.44Å; F341-W376 HydrophobicContact CB-CE3 3.77Å; F341-W376 HydrophobicContact CB-CZ3 3.56Å; F341-W376 HydrophobicContact CD1-CB 4.17Å; F341-W376 HydrophobicContact CD1-CD2 4.18Å; F341-W376 AromaticContact CD1-CE3 3.5Å; F341-W376 HydrophobicContact CD1-CE3 3.5Å; F341-W376 HydrophobicContact CD1-CG 4.49Å; F341-W376 HydrophobicContact CD1-CZ3 4.21Å; F341-W376 HydrophobicContact CD2-CE3 4.01Å; F341-W376 HydrophobicContact CD2-CZ3 4.34Å; F341-W376 HydrophobicContact CE1-CB 3.68Å; F341-W376 HydrophobicContact CE1-CE3 4.05Å; F341-W376 HydrophobicContact CE1-CG 4.45Å; F341-W376 HydrophobicContact CE2-CE3 4.5Å; F341-W376 AromaticContact CG-CE3 3.46Å; F341-W376 HydrophobicContact CG-CE3 3.46Å; F341-W376 VanDerWaalsContact CG-CE3 3.46Å; F341-W376 AromaticContact CG-CZ3 3.78Å; F341-W376 HydrophobicContact CG-CZ3 3.78Å; F341-W376 HydrophobicContact CZ-CB 4.25Å; V372-W376 WeakPolarHBondContact O-CB 3.47Å; V372-W376 PolarHBondContact O-N 2.9Å; A373-W376 PolarHBondContact O-N 3.42Å; R374-W376 VanDerWaalsContact C-N 3.32Å; R374-W376 PolarHBondContact O-N 3.11Å; W376-Q379 HydrophobicContact CE3-CB 4.12Å; W376-Q379 HydrophobicContact CE3-CG 4.23Å; W376-Q379 HydrophobicContact CZ3-CG 4.15Å; W376-Q379 WeakPolarHBondContact O-CB 3.2Å; W376-Q379 PolarHBondContact O-N 3.41Å; W376-K380 HydrophobicContact CD2-CG 3.98Å; W376-K380 HydrophobicContact CE3-CG 3.96Å; W376-K380 HydrophobicContact CH2-CD 3.54Å; W376-K380 HydrophobicContact CH2-CG 3.53Å; W376-K380 HydrophobicContact CZ2-CD 3.91Å; W376-K380 HydrophobicContact CZ2-CG 3.5Å; W376-K380 HydrophobicContact CZ3-CD 3.92Å; W376-K380 HydrophobicContact CZ3-CG 3.74Å; W376-K380 PolarHBondContact O-N 2.76Å; W376-L390 HydrophobicContact CB-CD1 3.98Å; W376-L390 HydrophobicContact CG-CD1 4.22Å
377G97.2Very high97.3Very high2 Ų265 Ų652%0.02132%0.324CS..Hα-helixtrans-56.3-49.3172.400000111.7A373 R374 Q379 K380 N381 R382 M385A373-G377 PolarHBondContact O-N 3.28Å; R374-G377 WeakPolarHBondContact O-CA 3.39Å; R374-G377 PolarHBondContact O-N 3.25Å; G377-Q379 VanDerWaalsContact C-N 3.32Å; G377-Q379 PolarHBondContact O-N 3.21Å; G377-K380 CarbonylContact O-C 3.35Å; G377-K380 PolarHBondContact O-N 2.85Å; G377-N381 CarbonylContact O-C 3.33Å; G377-N381 WeakPolarHBondContact O-CA 3.2Å; G377-N381 PolarHBondContact O-N 3.3Å; G377-R382 CarbonylContact C-O 3.6Å; G377-R382 WeakPolarHBondContact CA-O 3.5Å; G377-R382 PolarHBondContact O-N 3.01Å; G377-M385 VanDerWaalsContact CA-CB 3.43Å
378M96.1Very high97.3Very high118 Ų11865.6 Ų65.658%0.58133%0.329SS*.Hα-helixtrans-59.8-41.1175.3-174.9176.263.700112R374 L375 K380 N381R374-M378 PolarHBondContact O-N 3.32Å; L375-M378 HydrophobicContact CD2-CE 3.63Å; L375-M378 PolarHBondContact O-N 3.31Å; M378-K380 VanDerWaalsContact C-N 3.34Å; M378-K380 PolarHBondContact O-N 3.03Å; M378-N381 PolarHBondContact O-N 3.03Å
379Q95.1Very high97.2Very high44 Ų4465.8 Ų65.821%0.20633%0.328CS..Hα-helixtrans-63.7-37.6179-176.559.21800112.8R333 L336 F341 L375 W376 G377R333-Q379 PolarHBondContact NH1-O 3.39Å; L336-Q379 HydrophobicContact CD2-CG 3.64Å; L336-Q379 VanDerWaalsContact CD2-NE2 3.3Å; F341-Q379 HydrophobicContact CD2-CB 4.22Å; F341-Q379 HydrophobicContact CD2-CG 3.95Å; F341-Q379 HydrophobicContact CE2-CB 3.99Å; F341-Q379 HydrophobicContact CE2-CG 4.19Å; L375-Q379 WeakPolarHBondContact O-CB 3.32Å; L375-Q379 PolarHBondContact O-N 3.39Å; W376-Q379 HydrophobicContact CE3-CB 4.12Å; W376-Q379 HydrophobicContact CE3-CG 4.23Å; W376-Q379 HydrophobicContact CZ3-CG 4.15Å; W376-Q379 WeakPolarHBondContact O-CB 3.2Å; W376-Q379 PolarHBondContact O-N 3.41Å; G377-Q379 VanDerWaalsContact C-N 3.32Å; G377-Q379 PolarHBondContact O-N 3.21Å
380K93.9Very high97.2Very high61 Ų6165 Ų6527%0.26532%0.323SS..THydrogen-bonded Turntrans-99.77.9-179.6-60.9-65.2-74.1-168.70114.2G334 L336 W376 G377 M378 R382G334-K380 PolarHBondContact O-NZ 3.4Å; L336-K380 PolarHBondContact O-NZ 3.37Å; L336-K380 VanDerWaalsContact O-NZ 3.11Å; W376-K380 HydrophobicContact CD2-CG 3.98Å; W376-K380 HydrophobicContact CE3-CG 3.96Å; W376-K380 HydrophobicContact CH2-CD 3.54Å; W376-K380 HydrophobicContact CH2-CG 3.53Å; W376-K380 HydrophobicContact CZ2-CD 3.91Å; W376-K380 HydrophobicContact CZ2-CG 3.5Å; W376-K380 HydrophobicContact CZ3-CD 3.92Å; W376-K380 HydrophobicContact CZ3-CG 3.74Å; W376-K380 PolarHBondContact O-N 2.76Å; G377-K380 CarbonylContact O-C 3.35Å; G377-K380 PolarHBondContact O-N 2.85Å; M378-K380 VanDerWaalsContact C-N 3.34Å; M378-K380 PolarHBondContact O-N 3.03Å; K380-R382 VanDerWaalsContact C-N 3.29Å; K380-R382 HydrophobicContact CB-CG 4.28Å; K380-R382 PolarHBondContact O-N 3.03Å
381N94.8Very high97.2Very high144 Ų14460.9 Ų60.977%0.7731%0.306SS*.THydrogen-bonded Turntrans51.245.3-172.6-163.234.2000113.5G377 M378G377-N381 CarbonylContact O-C 3.33Å; G377-N381 WeakPolarHBondContact O-CA 3.2Å; G377-N381 PolarHBondContact O-N 3.3Å; M378-N381 PolarHBondContact O-N 3.03Å
382R96.3Very high97.2Very high156 Ų15664.4 Ų64.459%0.58932%0.317SS*.  trans-118.886.2177-67.4-173.6177.9-167.6-1.1109G377 K380 A384 M385G377-R382 CarbonylContact C-O 3.6Å; G377-R382 WeakPolarHBondContact CA-O 3.5Å; G377-R382 PolarHBondContact O-N 3.01Å; K380-R382 VanDerWaalsContact C-N 3.29Å; K380-R382 HydrophobicContact CB-CG 4.28Å; K380-R382 PolarHBondContact O-N 3.03Å; R382-A384 PolarHBondContact O-N 3.09Å; R382-M385 HydrophobicContact CB-CB 4.48Å; R382-M385 HydrophobicContact CB-CE 4.09Å; R382-M385 VanDerWaalsContact O-CB 3.25Å; R382-M385 WeakPolarHBondContact O-CB 3.27Å; R382-M385 PolarHBondContact O-N 3.23Å; R382-M385 VanDerWaalsContact O-N 3.1Å
383P94.7Very high97.1Very high128 Ų12866.3 Ų66.383%0.83133%0.33SS*.THydrogen-bonded Turntrans-66.3-25.1-173.825.6-34.5000113.3M385P383-M385 PolarHBondContact O-N 2.96Å
384A97.1Very high97.1Very high70 Ų7066.3 Ų66.358%0.57933%0.33SS*.THydrogen-bonded Turntrans-85.920.7175.100000113.5R382 K389R382-A384 PolarHBondContact O-N 3.09Å; A384-K389 PolarHBondContact O-NZ 3.26Å
385M98.4Very high97Very high25 Ų2566.2 Ų66.212%0.12333%0.33CS..  trans-73.4139.3173.4-17062.768.900110A373 G377 R382 P383 K389A373-M385 HydrophobicContact CB-CG 4.49Å; A373-M385 WeakPolarHBondContact O-CG 3.32Å; G377-M385 VanDerWaalsContact CA-CB 3.43Å; R382-M385 HydrophobicContact CB-CB 4.48Å; R382-M385 HydrophobicContact CB-CE 4.09Å; R382-M385 VanDerWaalsContact O-CB 3.25Å; R382-M385 WeakPolarHBondContact O-CB 3.27Å; R382-M385 PolarHBondContact O-N 3.23Å; R382-M385 VanDerWaalsContact O-N 3.1Å; P383-M385 PolarHBondContact O-N 2.96Å; M385-K389 HydrophobicContact SD-CB 3.84Å
386N98.3Very high96.9Very high57 Ų5772 Ų7231%0.30535%0.351SS..  trans-147.8172.6177.761.627.4000109.5D388 K389 L390N386-D388 VanDerWaalsContact C-N 3.32Å; N386-D388 PolarHBondContact O-N 3.23Å; N386-D388 PolarHBondContact OD1-N 3.24Å; N386-K389 PolarHBondContact O-N 3.23Å; N386-K389 WeakPolarHBondContact OD1-CG 3.42Å; N386-K389 PolarHBondContact OD1-N 3.03Å; N386-L390 PolarHBondContact O-N 3.07Å
387Y98.4Very high96.8Very high32 Ų3272.3 Ų72.313%0.12535%0.353CS..Hα-helixtrans-62.5-37.9-177.1176.8-101.4000112.9L366 P369 E370 K389 L390 S391 L394 Y411 Y413L366-Y387 HydrophobicContact CD1-CE2 3.88Å; P369-Y387 HydrophobicContact CB-CD1 4.46Å; P369-Y387 HydrophobicContact CB-CD2 3.36Å; P369-Y387 HydrophobicContact CB-CE2 3.78Å; P369-Y387 HydrophobicContact CB-CG 3.73Å; E370-Y387 WeakPolarHBondContact OE1-CB 3.35Å; E370-Y387 PolarHBondContact OE2-N 3.45Å; Y387-K389 VanDerWaalsContact C-N 3.28Å; Y387-K389 PolarHBondContact O-N 3.23Å; Y387-L390 PolarHBondContact O-N 3.22Å; Y387-S391 WeakPolarHBondContact O-CB 3.49Å; Y387-S391 PolarHBondContact O-N 2.81Å; Y387-S391 PolarHBondContact O-OG 3.14Å; Y387-L394 HydrophobicContact CE2-CD1 4.37Å; Y387-Y411 HydrophobicContact CD1-CE1 4.16Å; Y387-Y411 HydrophobicContact CE1-CD1 4Å; Y387-Y411 AromaticContact CE1-CE1 3.48Å; Y387-Y411 HydrophobicContact CE1-CE1 3.48Å; Y387-Y411 VanDerWaalsContact CE1-CE1 3.48Å; Y387-Y411 HydrophobicContact CE2-CD1 4.05Å; Y387-Y411 HydrophobicContact CE2-CE1 4.28Å; Y387-Y411 AromaticContact CZ-CD1 3.53Å; Y387-Y411 AromaticContact CZ-CE1 3.54Å; Y387-Y411 WeakPolarHBondContact OH-CD1 3.25Å; Y387-Y413 PolarHBondContact OH-OH 3.21Å
388D97.9Very high96.6Very high93 Ų9375.9 Ų75.950%0.49737%0.366SS..Hα-helixtrans-55.9-44.717817853.1000111.3N386 S391 R392N386-D388 VanDerWaalsContact C-N 3.32Å; N386-D388 PolarHBondContact O-N 3.23Å; N386-D388 PolarHBondContact OD1-N 3.24Å; D388-S391 PolarHBondContact O-OG 3.32Å; D388-R392 WeakPolarHBondContact O-CD 3.39Å; D388-R392 PolarHBondContact O-NE 3.31Å; D388-R392 IonicContact OD1-NE 3.36Å; D388-R392 IonicContact OD1-NH2 3.2Å
389K97.8Very high96.4Very high105 Ų10575.5 Ų75.546%0.45736%0.363SS..Hα-helixtrans-67.8-45.8176-68.4172.8-174.2176.40112.6A384 M385 N386 Y387 S391 R392A384-K389 PolarHBondContact O-NZ 3.26Å; M385-K389 HydrophobicContact SD-CB 3.84Å; N386-K389 PolarHBondContact O-N 3.23Å; N386-K389 WeakPolarHBondContact OD1-CG 3.42Å; N386-K389 PolarHBondContact OD1-N 3.03Å; Y387-K389 VanDerWaalsContact C-N 3.28Å; Y387-K389 PolarHBondContact O-N 3.23Å; K389-S391 VanDerWaalsContact C-N 3.3Å; K389-S391 PolarHBondContact O-N 3.1Å; K389-R392 WeakPolarHBondContact O-CB 3.34Å; K389-R392 PolarHBondContact O-N 2.85Å
390L98.4Very high96.2Very high2 Ų280.7 Ų80.71%0.0139%0.385CS..Hα-helixtrans-62.2-40.4179.7-175.6156.1000111.4L338 V372 A373 W376 N386 Y387 R392 S393 L394L338-L390 HydrophobicContact CD1-CD1 3.87Å; L338-L390 HydrophobicContact CD1-CD2 4.44Å; L338-L390 HydrophobicContact CD1-CG 3.97Å; L338-L390 HydrophobicContact CD2-CD2 3.87Å; L338-L390 HydrophobicContact CD2-CG 3.78Å; V372-L390 HydrophobicContact CG1-CD1 4.18Å; A373-L390 HydrophobicContact CB-CB 4.3Å; A373-L390 HydrophobicContact CB-CD1 4.01Å; W376-L390 HydrophobicContact CB-CD1 3.98Å; W376-L390 HydrophobicContact CG-CD1 4.22Å; N386-L390 PolarHBondContact O-N 3.07Å; Y387-L390 PolarHBondContact O-N 3.22Å; L390-R392 PolarHBondContact O-N 3.32Å; L390-R392 VanDerWaalsContact O-N 3.09Å; L390-S393 WeakPolarHBondContact O-CB 3.15Å; L390-S393 PolarHBondContact O-N 2.77Å; L390-L394 HydrophobicContact CD2-CD1 3.56Å; L390-L394 HydrophobicContact CD2-CG 3.83Å; L390-L394 PolarHBondContact O-N 3.43Å
391S98Very high96.1Very high22 Ų2279.3 Ų79.315%0.15439%0.387CS..Hα-helixtrans-61.5-21.1-177.776.20000113.1Y387 D388 K389 L394 R395Y387-S391 WeakPolarHBondContact O-CB 3.49Å; Y387-S391 PolarHBondContact O-N 2.81Å; Y387-S391 PolarHBondContact O-OG 3.14Å; D388-S391 PolarHBondContact O-OG 3.32Å; K389-S391 VanDerWaalsContact C-N 3.3Å; K389-S391 PolarHBondContact O-N 3.1Å; S391-L394 PolarHBondContact O-N 3.3Å; S391-R395 PolarHBondContact O-N 3.39Å
392R97.9Very high96Very high125 Ų12573.1 Ų73.147%0.47235%0.354SS..Hα-helixtrans-68.3-41.9175.4-69.75.5-177.797.7-7.2110.7D388 K389 L390 R395 Y396D388-R392 WeakPolarHBondContact O-CD 3.39Å; D388-R392 PolarHBondContact O-NE 3.31Å; D388-R392 IonicContact OD1-NE 3.36Å; D388-R392 IonicContact OD1-NH2 3.2Å; K389-R392 WeakPolarHBondContact O-CB 3.34Å; K389-R392 PolarHBondContact O-N 2.85Å; L390-R392 PolarHBondContact O-N 3.32Å; L390-R392 VanDerWaalsContact O-N 3.09Å; R392-R395 WeakPolarHBondContact O-CB 3.4Å; R392-R395 PolarHBondContact O-N 3.2Å; R392-Y396 HydrophobicContact CB-CE2 4.5Å; R392-Y396 WeakPolarHBondContact O-CD2 3.47Å; R392-Y396 PolarHBondContact O-N 3.3Å
393S96.8Very high96Very high41 Ų4165.7 Ų65.729%0.28733%0.326SS..Hα-helixtrans-64.5-40.4172.2-62.90000112.4L338 L390 R395 Y396 Y397L338-S393 VanDerWaalsContact CD2-CB 3.44Å; L390-S393 WeakPolarHBondContact O-CB 3.15Å; L390-S393 PolarHBondContact O-N 2.77Å; S393-R395 PolarHBondContact O-N 3.04Å; S393-Y396 PolarHBondContact O-N 3.28Å; S393-Y397 VanDerWaalsContact O-CD2 3.23Å; S393-Y397 WeakPolarHBondContact O-CD2 3.16Å; S393-Y397 VanDerWaalsContact O-CG 3.28Å; S393-Y397 PolarHBondContact O-N 2.77Å
394L97.6Very high96Very high0 Ų064.3 Ų64.30%031%0.309CS..Hα-helixtrans-60.4-36.2173.9-66.6175.8000112.2L338 L342 L366 Y387 L390 S391 Y397 Y398 M403 Y413L338-L394 HydrophobicContact CD2-CD2 4.33Å; L338-L394 HydrophobicContact CD2-CG 4.37Å; L342-L394 HydrophobicContact CD1-CD2 3.72Å; L366-L394 HydrophobicContact CD1-CD1 3.82Å; Y387-L394 HydrophobicContact CE2-CD1 4.37Å; L390-L394 HydrophobicContact CD2-CD1 3.56Å; L390-L394 HydrophobicContact CD2-CG 3.83Å; L390-L394 PolarHBondContact O-N 3.43Å; S391-L394 PolarHBondContact O-N 3.3Å; L394-Y397 HydrophobicContact CD2-CD2 4.41Å; L394-Y397 PolarHBondContact O-N 3.14Å; L394-Y398 WeakPolarHBondContact O-CD1 3.12Å; L394-Y398 PolarHBondContact O-N 3.13Å; L394-M403 HydrophobicContact CD2-SD 4.02Å; L394-Y413 HydrophobicContact CB-CE1 4.03Å; L394-Y413 HydrophobicContact CD1-CD2 4.43Å; L394-Y413 HydrophobicContact CD1-CE1 4.21Å; L394-Y413 HydrophobicContact CD1-CE2 3.83Å
395R97.1Very high96Very high122 Ų12264.8 Ų64.846%0.4630%0.298SS..Hα-helixtrans-63.7-48.9173.5169.3159.8-160.6160.24.9112.8S391 R392 S393 Y397 Y398 E399S391-R395 PolarHBondContact O-N 3.39Å; R392-R395 WeakPolarHBondContact O-CB 3.4Å; R392-R395 PolarHBondContact O-N 3.2Å; S393-R395 PolarHBondContact O-N 3.04Å; R395-Y397 PolarHBondContact O-N 3.37Å; R395-Y398 HydrophobicContact CB-CE1 3.83Å; R395-Y398 HydrophobicContact CB-CE2 4.4Å; R395-Y398 WeakPolarHBondContact CD-OH 3.46Å; R395-Y398 HydrophobicContact CG-CE1 4.15Å; R395-Y398 HydrophobicContact CG-CE2 3.86Å; R395-Y398 VanDerWaalsContact CG-CZ 3.45Å; R395-Y398 WeakPolarHBondContact CG-OH 3.33Å; R395-Y398 PolarHBondContact NE-OH 3.22Å; R395-Y398 VanDerWaalsContact O-CD2 3.27Å; R395-Y398 WeakPolarHBondContact O-CD2 3.45Å; R395-Y398 WeakPolarHBondContact O-CE2 2.99Å; R395-Y398 PolarHBondContact O-N 3.3Å; R395-E399 VanDerWaalsContact CG-OE1 3.28Å; R395-E399 WeakPolarHBondContact CG-OE1 3.42Å; R395-E399 IonicContact CZ-OE1 3.52Å; R395-E399 IonicContact NE-OE1 3.68Å; R395-E399 PolarHBondContact NE-OE1 2.95Å; R395-E399 WeakPolarHBondContact O-CG 3.4Å; R395-E399 PolarHBondContact O-N 3.45Å; R395-E399 VanDerWaalsContact O-N 3.07Å
396Y96.1Very high95.9Very high144 Ų14465 Ų6557%0.56530%0.301SS*.Hα-helixtrans-57.3-36.6173.9-68.8-58.6000112.2R392 S393 E399 K400R392-Y396 HydrophobicContact CB-CE2 4.5Å; R392-Y396 WeakPolarHBondContact O-CD2 3.47Å; R392-Y396 PolarHBondContact O-N 3.3Å; S393-Y396 PolarHBondContact O-N 3.28Å; Y396-E399 PolarHBondContact O-N 3.06Å; Y396-K400 VanDerWaalsContact O-CB 3.29Å; Y396-K400 WeakPolarHBondContact O-CB 3.27Å; Y396-K400 WeakPolarHBondContact O-CG 3.28Å; Y396-K400 PolarHBondContact O-N 2.77Å
397Y95.4Very high95.8Very high28 Ų2866.7 Ų66.711%0.1132%0.322CS..Hα-helixtrans-68.4-35.5179.2-64.7-36.1000114.2L338 W339 S393 L394 R395 G401 I402 M403L338-Y397 HydrophobicContact CB-CE2 3.91Å; L338-Y397 HydrophobicContact CD2-CE2 4.04Å; L338-Y397 HydrophobicContact CG-CE2 4.15Å; L338-Y397 PolarHBondContact N-OH 2.86Å; W339-Y397 HydrophobicContact CB-CD2 4.39Å; W339-Y397 HydrophobicContact CB-CE2 3.91Å; W339-Y397 AromaticContact CD1-CZ 3.88Å; W339-Y397 PolarHBondContact N-OH 3.13Å; S393-Y397 VanDerWaalsContact O-CD2 3.23Å; S393-Y397 WeakPolarHBondContact O-CD2 3.16Å; S393-Y397 VanDerWaalsContact O-CG 3.28Å; S393-Y397 PolarHBondContact O-N 2.77Å; L394-Y397 HydrophobicContact CD2-CD2 4.41Å; L394-Y397 PolarHBondContact O-N 3.14Å; R395-Y397 PolarHBondContact O-N 3.37Å; Y397-G401 PolarHBondContact O-N 2.98Å; Y397-I402 HydrophobicContact CD1-CD1 3.93Å; Y397-I402 HydrophobicContact CE1-CD1 4.43Å; Y397-I402 PolarHBondContact O-N 3.29Å; Y397-M403 HydrophobicContact CD2-CE 3.99Å; Y397-M403 HydrophobicContact CD2-SD 3.89Å; Y397-M403 HydrophobicContact CG-SD 4.26Å; Y397-M403 PolarHBondContact O-N 3.43Å; Y397-M403 VanDerWaalsContact O-N 3.08Å
398Y93.6Very high95.6Very high76 Ų7669.3 Ų69.330%0.29836%0.359SS..Hα-helixtrans-75.5-31.3173.766.4-122.1000113.3L394 R395 K400 G401 M403 K405L394-Y398 WeakPolarHBondContact O-CD1 3.12Å; L394-Y398 PolarHBondContact O-N 3.13Å; R395-Y398 HydrophobicContact CB-CE1 3.83Å; R395-Y398 HydrophobicContact CB-CE2 4.4Å; R395-Y398 WeakPolarHBondContact CD-OH 3.46Å; R395-Y398 HydrophobicContact CG-CE1 4.15Å; R395-Y398 HydrophobicContact CG-CE2 3.86Å; R395-Y398 VanDerWaalsContact CG-CZ 3.45Å; R395-Y398 WeakPolarHBondContact CG-OH 3.33Å; R395-Y398 PolarHBondContact NE-OH 3.22Å; R395-Y398 VanDerWaalsContact O-CD2 3.27Å; R395-Y398 WeakPolarHBondContact O-CD2 3.45Å; R395-Y398 WeakPolarHBondContact O-CE2 2.99Å; R395-Y398 PolarHBondContact O-N 3.3Å; Y398-K400 VanDerWaalsContact C-N 3.29Å; Y398-G401 PolarHBondContact O-N 3.5Å; Y398-M403 WeakPolarHBondContact CA-O 3.49Å; Y398-M403 WeakPolarHBondContact CB-O 3.33Å; Y398-K405 HydrophobicContact CD1-CB 3.99Å; Y398-K405 HydrophobicContact CE1-CB 4.32Å
399E91.5Very high95.5Very high110 Ų11069 Ų6951%0.51435%0.354SS..Hα-helixtrans-68.3-32.6173.7-70.1170.4-172.900111.1R395 Y396 G401R395-E399 VanDerWaalsContact CG-OE1 3.28Å; R395-E399 WeakPolarHBondContact CG-OE1 3.42Å; R395-E399 IonicContact CZ-OE1 3.52Å; R395-E399 IonicContact NE-OE1 3.68Å; R395-E399 PolarHBondContact NE-OE1 2.95Å; R395-E399 WeakPolarHBondContact O-CG 3.4Å; R395-E399 PolarHBondContact O-N 3.45Å; R395-E399 VanDerWaalsContact O-N 3.07Å; Y396-E399 PolarHBondContact O-N 3.06Å; E399-G401 VanDerWaalsContact C-N 3.3Å
400K90.8Very high95.5Very high154 Ų15472.2 Ų72.267%0.6736%0.364SS*.THydrogen-bonded Turntrans-83.51176-68.8-66.6-177.8-175.70114.3Y396 Y398 I402Y396-K400 VanDerWaalsContact O-CB 3.29Å; Y396-K400 WeakPolarHBondContact O-CB 3.27Å; Y396-K400 WeakPolarHBondContact O-CG 3.28Å; Y396-K400 PolarHBondContact O-N 2.77Å; Y398-K400 VanDerWaalsContact C-N 3.29Å; K400-I402 HydrophobicContact CB-CD1 4.08Å; K400-I402 HydrophobicContact CB-CG1 4.18Å; K400-I402 PolarHBondContact O-N 3.33Å
401G91.7Very high95.5Very high31 Ų3175 Ų7532%0.3238%0.375SS..THydrogen-bonded Turntrans67.711.1-178.500000114.6Y397 Y398 E399 V416 A421Y397-G401 PolarHBondContact O-N 2.98Å; Y398-G401 PolarHBondContact O-N 3.5Å; E399-G401 VanDerWaalsContact C-N 3.3Å; G401-V416 VanDerWaalsContact O-CB 3.24Å; G401-V416 WeakPolarHBondContact O-CB 3.35Å; G401-V416 VanDerWaalsContact O-CG2 3.26Å; G401-V416 WeakPolarHBondContact O-CG2 3.44Å; G401-A421 VanDerWaalsContact O-CB 3.31Å; G401-A421 WeakPolarHBondContact O-CB 3.34Å
402I92.5Very high95.5Very high14 Ų1474 Ų747%0.07237%0.368CS..SBendtrans-74.8-34.6175-64.1169.6000109.9Y397 K400 V416 L425Y397-I402 HydrophobicContact CD1-CD1 3.93Å; Y397-I402 HydrophobicContact CE1-CD1 4.43Å; Y397-I402 PolarHBondContact O-N 3.29Å; K400-I402 HydrophobicContact CB-CD1 4.08Å; K400-I402 HydrophobicContact CB-CG1 4.18Å; K400-I402 PolarHBondContact O-N 3.33Å; I402-V416 PolarHBondContact O-N 3.48Å; I402-V416 VanDerWaalsContact O-N 3.08Å; I402-L425 HydrophobicContact CG2-CD1 4.41Å; I402-L425 HydrophobicContact CG2-CD2 3.42Å; I402-L425 VanDerWaalsContact CG2-CD2 3.42Å; I402-L425 HydrophobicContact CG2-CG 3.93Å
403M95.4Very high95.5Very high0 Ų068.7 Ų68.70%035%0.348CS..EExtended strand (participates in β ladder)trans-131.7171.9176.6-66.6174.3-179.600110.5W339 L342 F364 L394 Y397 Y398 K414 F415W339-M403 HydrophobicContact CB-CE 3.7Å; L342-M403 HydrophobicContact CD1-CE 4.15Å; F364-M403 HydrophobicContact CE1-CE 4.38Å; F364-M403 HydrophobicContact CE1-SD 4.46Å; F364-M403 HydrophobicContact CZ-CE 4.26Å; F364-M403 HydrophobicContact CZ-SD 4.3Å; L394-M403 HydrophobicContact CD2-SD 4.02Å; Y397-M403 HydrophobicContact CD2-CE 3.99Å; Y397-M403 HydrophobicContact CD2-SD 3.89Å; Y397-M403 HydrophobicContact CG-SD 4.26Å; Y397-M403 PolarHBondContact O-N 3.43Å; Y397-M403 VanDerWaalsContact O-N 3.08Å; Y398-M403 WeakPolarHBondContact CA-O 3.49Å; Y398-M403 WeakPolarHBondContact CB-O 3.33Å; M403-K414 CarbonylContact C-O 3.59Å; M403-K414 WeakPolarHBondContact CA-O 3.44Å; M403-F415 HydrophobicContact CE-CD1 3.84Å; M403-F415 HydrophobicContact CE-CE1 3.15Å; M403-F415 HydrophobicContact CE-CE2 4.14Å; M403-F415 HydrophobicContact CE-CZ 3.32Å; M403-F415 HydrophobicContact CG-CD1 3.97Å; M403-F415 HydrophobicContact CG-CE1 4.25Å; M403-F415 HydrophobicContact CG-CG 4.43Å
404Q95.8Very high95.5Very high99 Ų9970.8 Ų70.846%0.46335%0.352SS..EExtended strand (participates in β ladder)trans-129.2140.3168.7-75.7171.923.600108.9Y413 K414 V416Q404-Y413 CarbonylContact O-C 3.52Å; Q404-Y413 WeakPolarHBondContact O-CA 3.17Å; Q404-K414 PolarHBondContact N-O 3.06Å; Q404-K414 PolarHBondContact O-N 3.48Å; Q404-V416 HydrophobicContact CB-CG2 4.49Å; Q404-V416 HydrophobicContact CG-CG2 3.64Å
405K96.7Very high95.4Very high81 Ų8171.2 Ų71.235%0.35235%0.353SS..EExtended strand (participates in β ladder)trans-81.1121.1169.8-17971.2-166.276.80108.6Y398 A407 E409 V412 Y413Y398-K405 HydrophobicContact CD1-CB 3.99Å; Y398-K405 HydrophobicContact CE1-CB 4.32Å; K405-A407 PolarHBondContact O-N 3.49Å; K405-E409 PolarHBondContact NZ-O 3.3Å; K405-V412 PolarHBondContact NZ-O 3.43Å; K405-Y413 HydrophobicContact CD-CD1 3.82Å; K405-Y413 HydrophobicContact CD-CE1 3.36Å
406V96.7Very high95.2Very high30 Ų3065.9 Ų65.918%0.18233%0.334CS..PPolyproline II helixtrans-70.8121172.9-178.80000108.7E363 E409 V412 K414E363-V406 HydrophobicContact CG-CG2 4.11Å; V406-E409 HydrophobicContact CG1-CB 4.12Å; V406-E409 HydrophobicContact CG1-CG 4.26Å; V406-V412 HydrophobicContact CB-CB 4.08Å; V406-V412 HydrophobicContact CB-CG1 3.86Å; V406-V412 HydrophobicContact CG1-CG1 4.29Å; V406-V412 HydrophobicContact CG2-CB 4.37Å; V406-V412 HydrophobicContact CG2-CG1 3.68Å; V406-V412 PolarHBondContact N-O 3.42Å; V406-K414 HydrophobicContact CG2-CB 4.42Å
407A95.1Very high94.3Very high92 Ų9264.1 Ų64.176%0.7634%0.342SS*.SBendtrans-69.9147.9178.600000110.8K405 E409K405-A407 PolarHBondContact O-N 3.49Å; A407-E409 PolarHBondContact O-N 3.25Å
408G94.8Very high93.5Very high87 Ų8767.9 Ų67.990%0.89736%0.36SS*.SBendtrans77-24179.800000115.3
409E96.4Very high92.6Very high85 Ų8568.3 Ų68.340%0.39737%0.372SS..  trans-99.9131.4-179.8-76-65.2137.200112.6K365 K405 V406 A407 V412K365-E409 IonicContact NZ-OE2 3.64Å; K405-E409 PolarHBondContact NZ-O 3.3Å; V406-E409 HydrophobicContact CG1-CB 4.12Å; V406-E409 HydrophobicContact CG1-CG 4.26Å; A407-E409 PolarHBondContact O-N 3.25Å; E409-V412 HydrophobicContact CB-CB 3.71Å; E409-V412 HydrophobicContact CB-CG1 4.5Å; E409-V412 HydrophobicContact CB-CG2 3.6Å; E409-V412 HydrophobicContact CG-CG2 4.24Å
410R96.9Very high91.6Very high173 Ų17368.9 Ų68.965%0.65338%0.375SS*.THydrogen-bonded Turntrans-78.1134.7173.4-68.3-176.665.1-1760.2110.1V412R410-V412 PolarHBondContact O-N 2.94Å; R410-V412 VanDerWaalsContact O-N 3.13Å
411Y97.9Very high90.9Very high62 Ų6261.7 Ų61.724%0.24334%0.344CS..THydrogen-bonded Turntrans62.217.1174.1-46.6-61.4000115.9L366 P369 Y387L366-Y411 PolarHBondContact N-O 3.49Å; L366-Y411 VanDerWaalsContact O-CB 3.32Å; L366-Y411 WeakPolarHBondContact O-CB 3.43Å; P369-Y411 HydrophobicContact CB-CD1 4.22Å; P369-Y411 HydrophobicContact CB-CE1 4.34Å; P369-Y411 HydrophobicContact CG-CD1 4.15Å; P369-Y411 HydrophobicContact CG-CD2 4.24Å; P369-Y411 HydrophobicContact CG-CE1 4.04Å; P369-Y411 HydrophobicContact CG-CE2 4.14Å; P369-Y411 HydrophobicContact CG-CG 4.25Å; Y387-Y411 HydrophobicContact CD1-CE1 4.16Å; Y387-Y411 HydrophobicContact CE1-CD1 4Å; Y387-Y411 AromaticContact CE1-CE1 3.48Å; Y387-Y411 HydrophobicContact CE1-CE1 3.48Å; Y387-Y411 VanDerWaalsContact CE1-CE1 3.48Å; Y387-Y411 HydrophobicContact CE2-CD1 4.05Å; Y387-Y411 HydrophobicContact CE2-CE1 4.28Å; Y387-Y411 AromaticContact CZ-CD1 3.53Å; Y387-Y411 AromaticContact CZ-CE1 3.54Å; Y387-Y411 WeakPolarHBondContact OH-CD1 3.25Å
412V98.1Very high90.1Very high1 Ų164.6 Ų64.61%0.00635%0.352CS..EExtended strand (participates in β ladder)trans-103133.8176-174.20000110.6T358 E363 F364 K365 K405 V406 E409 R410T358-V412 HydrophobicContact CG2-CG1 4.47Å; E363-V412 HydrophobicContact CG-CG1 3.59Å; F364-V412 WeakPolarHBondContact O-CA 3.29Å; F364-V412 WeakPolarHBondContact O-CG1 3.26Å; K365-V412 HydrophobicContact CB-CG2 4Å; K365-V412 HydrophobicContact CD-CG2 3.72Å; K365-V412 HydrophobicContact CG-CG2 3.72Å; K405-V412 PolarHBondContact NZ-O 3.43Å; V406-V412 HydrophobicContact CB-CB 4.08Å; V406-V412 HydrophobicContact CB-CG1 3.86Å; V406-V412 HydrophobicContact CG1-CG1 4.29Å; V406-V412 HydrophobicContact CG2-CB 4.37Å; V406-V412 HydrophobicContact CG2-CG1 3.68Å; V406-V412 PolarHBondContact N-O 3.42Å; E409-V412 HydrophobicContact CB-CB 3.71Å; E409-V412 HydrophobicContact CB-CG1 4.5Å; E409-V412 HydrophobicContact CB-CG2 3.6Å; E409-V412 HydrophobicContact CG-CG2 4.24Å; R410-V412 PolarHBondContact O-N 2.94Å; R410-V412 VanDerWaalsContact O-N 3.13Å
413Y98Very high89.3Confident13 Ų1368.2 Ų68.25%0.05137%0.37CS..EExtended strand (participates in β ladder)trans-140.7158.2-176.9-58.7-92.3000109.7E363 F364 L366 Y387 L394 Q404 K405E363-Y413 CarbonylContact C-O 3.58Å; E363-Y413 WeakPolarHBondContact CA-O 3.44Å; E363-Y413 WeakPolarHBondContact CG-O 3.18Å; F364-Y413 WeakPolarHBondContact CD1-O 3.47Å; F364-Y413 HydrophobicContact CE2-CD2 4.27Å; F364-Y413 HydrophobicContact CZ-CD2 4.39Å; F364-Y413 HydrophobicContact CZ-CG 4.26Å; F364-Y413 PolarHBondContact N-O 2.95Å; F364-Y413 PolarHBondContact O-N 3.37Å; F364-Y413 VanDerWaalsContact O-O 3.04Å; L366-Y413 HydrophobicContact CD1-CD2 4.24Å; L366-Y413 HydrophobicContact CD1-CE2 3.81Å; Y387-Y413 PolarHBondContact OH-OH 3.21Å; L394-Y413 HydrophobicContact CB-CE1 4.03Å; L394-Y413 HydrophobicContact CD1-CD2 4.43Å; L394-Y413 HydrophobicContact CD1-CE1 4.21Å; L394-Y413 HydrophobicContact CD1-CE2 3.83Å; Q404-Y413 CarbonylContact O-C 3.52Å; Q404-Y413 WeakPolarHBondContact O-CA 3.17Å; K405-Y413 HydrophobicContact CD-CD1 3.82Å; K405-Y413 HydrophobicContact CD-CE1 3.36Å
414K96.6Very high88.4Confident85 Ų8570.6 Ų70.637%0.3739%0.387SS..EExtended strand (participates in β ladder)trans-133.7130.9179.4-176.3178.9179.4-174.80110.2M362 E363 M403 Q404 V406M362-K414 CarbonylContact O-C 3.59Å; M362-K414 WeakPolarHBondContact O-CA 3.21Å; E363-K414 HydrophobicContact CB-CB 4.23Å; E363-K414 HydrophobicContact CB-CG 4.18Å; E363-K414 HydrophobicContact CG-CB 4.41Å; M403-K414 CarbonylContact C-O 3.59Å; M403-K414 WeakPolarHBondContact CA-O 3.44Å; Q404-K414 PolarHBondContact N-O 3.06Å; Q404-K414 PolarHBondContact O-N 3.48Å; V406-K414 HydrophobicContact CG2-CB 4.42Å
415F95.9Very high87.6Confident8 Ų867.1 Ų67.14%0.03537%0.372CS..EExtended strand (participates in β ladder)trans-71.5138.6169.8-70.3-91.5000110.1W339 V343 L346 W357 M362 F364 M403W339-F415 HydrophobicContact CB-CE1 4.07Å; W339-F415 HydrophobicContact CE3-CE1 4.43Å; V343-F415 HydrophobicContact CG2-CE1 4.01Å; V343-F415 HydrophobicContact CG2-CE2 3.99Å; V343-F415 HydrophobicContact CG2-CZ 3.48Å; V343-F415 VanDerWaalsContact CG2-CZ 3.48Å; L346-F415 HydrophobicContact CD1-CE2 4.26Å; W357-F415 AromaticContact CH2-CD2 3.86Å; W357-F415 HydrophobicContact CH2-CD2 3.86Å; W357-F415 AromaticContact CH2-CE2 3.95Å; W357-F415 HydrophobicContact CH2-CE2 3.95Å; W357-F415 HydrophobicContact CZ3-CD2 4.08Å; W357-F415 HydrophobicContact CZ3-CE2 4.4Å; M362-F415 HydrophobicContact CB-CB 3.97Å; M362-F415 HydrophobicContact CE-CB 4.31Å; M362-F415 HydrophobicContact CE-CD2 4.5Å; M362-F415 PolarHBondContact O-N 2.68Å; F364-F415 AromaticContact CD1-CD2 3.82Å; F364-F415 HydrophobicContact CD1-CD2 3.82Å; F364-F415 AromaticContact CD1-CE2 3.66Å; F364-F415 HydrophobicContact CD1-CE2 3.66Å; F364-F415 AromaticContact CE1-CD2 3.69Å; F364-F415 HydrophobicContact CE1-CD2 3.69Å; F364-F415 AromaticContact CE1-CE2 3.38Å; F364-F415 HydrophobicContact CE1-CE2 3.38Å; F364-F415 HydrophobicContact CE1-CZ 4.13Å; F364-F415 HydrophobicContact CZ-CE2 4.24Å; M403-F415 HydrophobicContact CE-CD1 3.84Å; M403-F415 HydrophobicContact CE-CE1 3.15Å; M403-F415 HydrophobicContact CE-CE2 4.14Å; M403-F415 HydrophobicContact CE-CZ 3.32Å; M403-F415 HydrophobicContact CG-CD1 3.97Å; M403-F415 HydrophobicContact CG-CE1 4.25Å; M403-F415 HydrophobicContact CG-CG 4.43Å
416V92.4Very high86.5Confident11 Ų1166.1 Ų66.17%0.06738%0.379CS..  trans-85.6135177.6-1730000108.9G401 I402 Q404 E418 A421G401-V416 VanDerWaalsContact O-CB 3.24Å; G401-V416 WeakPolarHBondContact O-CB 3.35Å; G401-V416 VanDerWaalsContact O-CG2 3.26Å; G401-V416 WeakPolarHBondContact O-CG2 3.44Å; I402-V416 PolarHBondContact O-N 3.48Å; I402-V416 VanDerWaalsContact O-N 3.08Å; Q404-V416 HydrophobicContact CB-CG2 4.49Å; Q404-V416 HydrophobicContact CG-CG2 3.64Å; V416-E418 HydrophobicContact CG1-CB 3.8Å; V416-E418 HydrophobicContact CG1-CG 3.69Å; V416-A421 HydrophobicContact CB-CB 3.98Å; V416-A421 HydrophobicContact CG1-CB 4.11Å
417C78.4Confident85.5Confident106 Ų10668.9 Ų68.972%0.71639%0.388SS*.  trans-110.456.5174.8-159.90000109.2
418E78.9Confident84.1Confident108 Ų10866.6 Ų66.651%0.50537%0.366SS..SBendtrans-107.2148.2173.6-75.7176.5-173.900109V416 E420 A421 L422V416-E418 HydrophobicContact CG1-CB 3.8Å; V416-E418 HydrophobicContact CG1-CG 3.69Å; E418-E420 PolarHBondContact O-N 3.42Å; E418-E420 VanDerWaalsContact O-N 3.15Å; E418-A421 HydrophobicContact CB-CB 4.46Å; E418-A421 WeakPolarHBondContact O-CA 3.5Å; E418-A421 WeakPolarHBondContact O-CB 3.35Å; E418-A421 PolarHBondContact O-N 2.94Å; E418-L422 PolarHBondContact O-N 3.09Å
419P73.9Confident82.3Confident84 Ų8466.8 Ų66.855%0.54535%0.346SS..Hα-helixtrans-50.3-40.1-178.7-25.733.4000113.4L422 I423P419-L422 PolarHBondContact O-N 3.18Å; P419-I423 VanDerWaalsContact O-CG1 3.29Å; P419-I423 WeakPolarHBondContact O-CG1 3.5Å; P419-I423 PolarHBondContact O-N 3.47Å
420E70.6Confident80.1Confident123 Ų12371 Ų7158%0.57537%0.372SS*.Hα-helixtrans-68.9-36.8-179.8-62.172.6-159.600112.1E418 S424E418-E420 PolarHBondContact O-N 3.42Å; E418-E420 VanDerWaalsContact O-N 3.15Å; E420-S424 PolarHBondContact O-N 3.47Å; E420-S424 PolarHBondContact O-OG 3.47Å
421A75.9Confident78Confident3 Ų370.1 Ų70.13%0.02538%0.375CS..Hα-helixtrans-70.5-39.7174.700000111G401 V416 E418 I423 S424 L425G401-A421 VanDerWaalsContact O-CB 3.31Å; G401-A421 WeakPolarHBondContact O-CB 3.34Å; V416-A421 HydrophobicContact CB-CB 3.98Å; V416-A421 HydrophobicContact CG1-CB 4.11Å; E418-A421 HydrophobicContact CB-CB 4.46Å; E418-A421 WeakPolarHBondContact O-CA 3.5Å; E418-A421 WeakPolarHBondContact O-CB 3.35Å; E418-A421 PolarHBondContact O-N 2.94Å; A421-I423 VanDerWaalsContact C-N 3.35Å; A421-I423 PolarHBondContact O-N 3.41Å; A421-S424 PolarHBondContact O-N 3.01Å; A421-L425 WeakPolarHBondContact O-CB 3.29Å; A421-L425 VanDerWaalsContact O-CG 3.29Å; A421-L425 WeakPolarHBondContact O-CG 3.49Å; A421-L425 PolarHBondContact O-N 3.42Å
422L76.2Confident75.6Confident92 Ų9277 Ų7748%0.48240%0.401SS..Hα-helixtrans-62.1-41.1175.4-71.4173000111.7E418 P419 S424 L425 A426E418-L422 PolarHBondContact O-N 3.09Å; P419-L422 PolarHBondContact O-N 3.18Å; L422-S424 VanDerWaalsContact C-N 3.32Å; L422-S424 PolarHBondContact O-N 3.16Å; L422-L425 PolarHBondContact O-N 3.41Å; L422-A426 WeakPolarHBondContact O-CB 3.41Å; L422-A426 PolarHBondContact O-N 3.02Å
423I74.8Confident73.1Confident89 Ų8980 Ų8046%0.45642%0.419SS..Hα-helixtrans-61.7-43.1174.4-66.6161.9000110.5P419 A421 L425 A426 F427P419-I423 VanDerWaalsContact O-CG1 3.29Å; P419-I423 WeakPolarHBondContact O-CG1 3.5Å; P419-I423 PolarHBondContact O-N 3.47Å; A421-I423 VanDerWaalsContact C-N 3.35Å; A421-I423 PolarHBondContact O-N 3.41Å; I423-L425 VanDerWaalsContact C-N 3.32Å; I423-L425 PolarHBondContact O-N 2.93Å; I423-A426 PolarHBondContact O-N 3.18Å; I423-F427 HydrophobicContact CG2-CD2 4.24Å; I423-F427 WeakPolarHBondContact O-CD2 3.43Å; I423-F427 PolarHBondContact O-N 3.45Å
424S76Confident70.5Confident50 Ų5084.6 Ų84.635%0.3545%0.454SS..Hα-helixtrans-67.7-31.2179-58.10000113.2E420 A421 L422E420-S424 PolarHBondContact O-N 3.47Å; E420-S424 PolarHBondContact O-OG 3.47Å; A421-S424 PolarHBondContact O-N 3.01Å; L422-S424 VanDerWaalsContact C-N 3.32Å; L422-S424 PolarHBondContact O-N 3.16Å
425L79.3Confident68.1Low26 Ų2686.9 Ų86.914%0.13647%0.469CS..Hα-helixtrans-78.5-38.4175-73.8169.3000112.3W339 I402 A421 L422 I423W339-L425 HydrophobicContact CD2-CD2 3.35Å; W339-L425 VanDerWaalsContact CE2-CD2 3.43Å; W339-L425 HydrophobicContact CE3-CD2 3.48Å; W339-L425 VanDerWaalsContact CE3-CD2 3.48Å; W339-L425 HydrophobicContact CG-CD2 3.99Å; W339-L425 HydrophobicContact CH2-CB 4.17Å; W339-L425 HydrophobicContact CH2-CD2 3.77Å; W339-L425 HydrophobicContact CZ2-CB 4.23Å; W339-L425 HydrophobicContact CZ2-CD2 3.66Å; W339-L425 WeakPolarHBondContact CZ2-O 3.41Å; W339-L425 HydrophobicContact CZ3-CD2 3.7Å; I402-L425 HydrophobicContact CG2-CD1 4.41Å; I402-L425 HydrophobicContact CG2-CD2 3.42Å; I402-L425 VanDerWaalsContact CG2-CD2 3.42Å; I402-L425 HydrophobicContact CG2-CG 3.93Å; A421-L425 WeakPolarHBondContact O-CB 3.29Å; A421-L425 VanDerWaalsContact O-CG 3.29Å; A421-L425 WeakPolarHBondContact O-CG 3.49Å; A421-L425 PolarHBondContact O-N 3.42Å; L422-L425 PolarHBondContact O-N 3.41Å; I423-L425 VanDerWaalsContact C-N 3.32Å; I423-L425 PolarHBondContact O-N 2.93Å
426A72.8Confident65.3Low61 Ų6195.6 Ų95.650%0.50451%0.507SS..Hα-helixtrans-71.8-30.7-179.300000112.4L422 I423 P428L422-A426 WeakPolarHBondContact O-CB 3.41Å; L422-A426 PolarHBondContact O-N 3.02Å; I423-A426 PolarHBondContact O-N 3.18Å; A426-P428 VanDerWaalsContact O-CD 3.25Å; A426-P428 WeakPolarHBondContact O-CD 3.31Å
427F75.9Confident63.1Low87 Ų8798.6 Ų98.638%0.38253%0.533SS..  trans-123.375.3-177.5-55.3-71.8000111.4I423 D429 Q431 P433I423-F427 HydrophobicContact CG2-CD2 4.24Å; I423-F427 WeakPolarHBondContact O-CD2 3.43Å; I423-F427 PolarHBondContact O-N 3.45Å; F427-D429 VanDerWaalsContact C-N 3.25Å; F427-D429 PolarHBondContact O-N 3.45Å; F427-Q431 VanDerWaalsContact CD1-O 3.27Å; F427-Q431 WeakPolarHBondContact CD1-O 3.38Å; F427-P433 HydrophobicContact CD1-CG 4.09Å; F427-P433 HydrophobicContact CE1-CG 3.42Å; F427-P433 VanDerWaalsContact CE1-CG 3.42Å; F427-P433 HydrophobicContact CE2-CG 4.15Å; F427-P433 HydrophobicContact CZ-CG 3.45Å; F427-P433 VanDerWaalsContact CZ-CG 3.45Å
428P65.9Low61.1Low44 Ų44101.5 Ų101.529%0.28654%0.536SS..  trans-69.4-15.9-177.422.7-31000115Q337 A426Q337-P428 HydrophobicContact CG-CB 4.31Å; Q337-P428 PolarHBondContact NE2-O 3.44Å; A426-P428 VanDerWaalsContact O-CD 3.25Å; A426-P428 WeakPolarHBondContact O-CD 3.31Å
429D57.3Low59.1Low91 Ų91106 Ų10649%0.48755%0.554SS.*SBendtrans-122.7152.5175.9-66.4-49000108.5F427 Q431F427-D429 VanDerWaalsContact C-N 3.25Å; F427-D429 PolarHBondContact O-N 3.45Å; D429-Q431 WeakPolarHBondContact O-CA 3.36Å; D429-Q431 PolarHBondContact O-N 3.49Å
430N50.5Low57.6Low175 Ų175109 Ų10994%0.93656%0.562SS**SBendtrans-509-175.5-86.58.8000117.8R432N430-R432 PolarHBondContact O-N 3.48Å
431Q52Low56Low154 Ų154113.9 Ų113.972%0.7258%0.575SS**  trans-70.258.5158.7-56.8-179.233.800110.4F427 D429 P433F427-Q431 VanDerWaalsContact CD1-O 3.27Å; F427-Q431 WeakPolarHBondContact CD1-O 3.38Å; D429-Q431 WeakPolarHBondContact O-CA 3.36Å; D429-Q431 PolarHBondContact O-N 3.49Å; Q431-P433 WeakPolarHBondContact O-CD 3.43Å
432R48.3Very low54.3Low207 Ų207123.5 Ų123.578%0.78161%0.612SS**  trans-56.3114.3149-85.7-179.4167.3166.2-5.2103.9N430 S434N430-R432 PolarHBondContact O-N 3.48Å; R432-S434 PolarHBondContact O-N 3.4Å
433P44.7Very low52.4Low62 Ų62125.5 Ų125.540%0.40363%0.627SS.*  trans-56.8119.8157.70.614.9000102.6F427 Q431 L435F427-P433 HydrophobicContact CD1-CG 4.09Å; F427-P433 HydrophobicContact CE1-CG 3.42Å; F427-P433 VanDerWaalsContact CE1-CG 3.42Å; F427-P433 HydrophobicContact CE2-CG 4.15Å; F427-P433 HydrophobicContact CZ-CG 3.45Å; F427-P433 VanDerWaalsContact CZ-CG 3.45Å; Q431-P433 WeakPolarHBondContact O-CD 3.43Å; P433-L435 HydrophobicContact CB-CD2 4.36Å; P433-L435 HydrophobicContact CB-CG 4.23Å; P433-L435 PolarHBondContact O-N 3.21Å
434S44.4Very low50.4Low111 Ų111126.2 Ų126.278%0.77663%0.632SS**  trans-65.679.3166.360.50000105.6R432 K436R432-S434 PolarHBondContact O-N 3.4Å; S434-K436 PolarHBondContact O-N 3.03Å
435L46.2Very low49Very low132 Ų132131.7 Ų131.769%0.69165%0.652SS**  trans-69.379.6157.4-61.1-175.9000103.6P433 A437P433-L435 HydrophobicContact CB-CD2 4.36Å; P433-L435 HydrophobicContact CB-CG 4.23Å; P433-L435 PolarHBondContact O-N 3.21Å; L435-A437 PolarHBondContact O-N 3.23Å
436K37.1Very low47.4Very low192 Ų192138.2 Ų138.284%0.83568%0.682SS**  trans-48.7104.9145.5-88.8-173.5173-178.10103.8S434 E438S434-K436 PolarHBondContact O-N 3.03Å; K436-E438 PolarHBondContact O-N 3.03Å
437A45.9Very low45.9Very low74 Ų74142.4 Ų142.461%0.61270%0.696SS**  trans17.970.3159.700000115.6L435 F439L435-A437 PolarHBondContact O-N 3.23Å; A437-F439 PolarHBondContact O-N 3.15Å
438E36.7Very low44.4Very low167 Ų167143.6 Ų143.678%0.7871%0.71SS**THydrogen-bonded Turntrans-9226.1167.4-140.8-176.5-177.900110.9K436K436-E438 PolarHBondContact O-N 3.03Å
439F37.8Very low43.6Very low201 Ų201146.6 Ų146.688%0.88273%0.728SS**THydrogen-bonded Turntrans-97.2-5.4163.7-159.5-98.4000112.5A437 R441A437-F439 PolarHBondContact O-N 3.15Å; F439-R441 PolarHBondContact O-N 3.18Å; F439-R441 VanDerWaalsContact O-N 3.09Å
440E41Very low43Very low149 Ų149147.3 Ų147.370%0.69674%0.737SS**  trans-8570.8161.8-72.2-174.4168.200108.9Y442E440-Y442 VanDerWaalsContact C-N 3.27Å; E440-Y442 PolarHBondContact O-N 3.3Å
441R36.6Very low42.7Very low225 Ų225147 Ų14785%0.84973%0.734SS**  trans-63.4106148.8-68.9-156.2-163.5-162.76.5105.6F439 V443F439-R441 PolarHBondContact O-N 3.18Å; F439-R441 VanDerWaalsContact O-N 3.09Å; R441-V443 VanDerWaalsContact C-N 3.34Å; R441-V443 PolarHBondContact O-N 3.49Å
442Y40.3Very low42.6Very low205 Ų205143.6 Ų143.680%0.80473%0.728SS**  trans-44.6103.8156.8-90.3-103.8000107.9E440 N444E440-Y442 VanDerWaalsContact C-N 3.27Å; E440-Y442 PolarHBondContact O-N 3.3Å; Y442-N444 VanDerWaalsContact C-N 3.3Å; Y442-N444 PolarHBondContact O-N 3.5Å; Y442-N444 VanDerWaalsContact O-N 3.15Å
443V37.8Very low42.7Very low133 Ų133142.5 Ų142.581%0.80673%0.732SS**  trans-69.5102.6153.5174.60000103.4R441 E445R441-V443 VanDerWaalsContact C-N 3.34Å; R441-V443 PolarHBondContact O-N 3.49Å; V443-E445 PolarHBondContact O-N 3.18Å
444N32.1Very low42.5Very low105 Ų105148.2 Ų148.256%0.56176%0.758SS**  trans-58119.4175-164.33.3000107.8Y442 E446Y442-N444 VanDerWaalsContact C-N 3.3Å; Y442-N444 PolarHBondContact O-N 3.5Å; Y442-N444 VanDerWaalsContact O-N 3.15Å; N444-E446 PolarHBondContact O-N 3.21Å; N444-E446 VanDerWaalsContact O-N 3.16Å
445E45.8Very low42.2Very low165 Ų165150.2 Ų150.277%0.77176%0.76SS**G310 helixtrans-72.4-0.1-176.855.4-170.6106.800113.4V443 T448V443-E445 PolarHBondContact O-N 3.18Å; E445-T448 PolarHBondContact O-OG1 3.44Å
446E46.6Very low42.2Very low163 Ų163152 Ų15276%0.76276%0.764SS**G310 helixtrans-871.9-179.4-62.8-172.1124.800115.7N444N444-E446 PolarHBondContact O-N 3.21Å; N444-E446 VanDerWaalsContact O-N 3.16Å
447D40.8Very low42Very low148 Ų148146.6 Ų146.679%0.79176%0.763SS**G310 helixtrans-110.824169.6-109-47.6000112.5V449D447-V449 PolarHBondContact O-N 3.4Å; D447-V449 VanDerWaalsContact O-N 3.09Å
448T43.8Very low41.5Very low112 Ų112148.8 Ų148.869%0.68777%0.769SS**  trans-73.597164.245.40000108.9E445 P450E445-T448 PolarHBondContact O-OG1 3.44Å; T448-P450 WeakPolarHBondContact O-CD 3.48Å
449V50.2Low42.3Very low107 Ų107145.5 Ų145.565%0.64876%0.762SS**  trans-84106.5163.2-164.50000107.6D447 L451D447-V449 PolarHBondContact O-N 3.4Å; D447-V449 VanDerWaalsContact O-N 3.09Å; V449-L451 VanDerWaalsContact C-N 3.33Å; V449-L451 PolarHBondContact O-N 3.25Å
450P43.9Very low41.9Very low106 Ų106146.2 Ų146.269%0.68876%0.76SS**  trans-74.190.8169.730.4-32.8000108.4T448 S452T448-P450 WeakPolarHBondContact O-CD 3.48Å; P450-S452 PolarHBondContact O-N 3.06Å
451L45.3Very low41.7Very low168 Ų168144.9 Ų144.988%0.8876%0.762SS**  trans-76.870.1166.7-101.4157.9000109.3V449V449-L451 VanDerWaalsContact C-N 3.33Å; V449-L451 PolarHBondContact O-N 3.25Å
452S49.3Very low42.7Very low84 Ų84139.6 Ų139.659%0.58776%0.757SS**  trans-14951172.867.30000112.4P450P450-S452 PolarHBondContact O-N 3.06Å
453H50.5Low42.3Very low184 Ų184137.6 Ų137.685%0.85276%0.755SS**  trans-152.284.6159.6-79-67.2000110.1
454L40.7Very low42.1Very low182 Ų182139.3 Ų139.395%0.95375%0.754SS**  trans-132.2102.3147.1-115.8143.5000107.3
455D38.3Very low42.2Very low153 Ų153138.4 Ų138.482%0.81876%0.762SS**  trans-58153.3-178.5-175.4-128.8000112.7
456E45Very low42.1Very low169 Ų169136.1 Ų136.179%0.7976%0.761SS**  trans-75.3130.6-174.8-170.6151.3116.400111.7
457G33.8Very low41.6Very low78 Ų78136.6 Ų136.680%0.80476%0.763SS**  trans-155.678.1179.300000113.4
458V34.9Very low41.3Very low121 Ų121136.2 Ų136.273%0.73376%0.761SS**  trans-59.1168.7169-174.80000111.1
459P53.1Low40.9Very low97 Ų97139.5 Ų139.563%0.6377%0.771SS**  cis-129.9170.5-12.421.13.1000114.9
460Y30.1Very low40.2Very low217 Ų217139.2 Ų139.285%0.85178%0.779SS**  169.8150119.8-108.8-92.7000112.5
461T37.1Very low39.7Very low121 Ų121142.2 Ų142.274%0.74278%0.784SS**  trans-86.2-162.6-169.7460000113.8
462P56.8Low39.2Very low113 Ų113141.1 Ų141.173%0.73477%0.774SS**  -95-178-110.433.3-11.9000112.4
463E31.9Very low39Very low163 Ų163142.1 Ų142.176%0.76278%0.779SS**  trans158.8121.4135.8-167.1140.8109.400114
464Q33.2Very low38.1Very low169 Ų169143.3 Ų143.379%0.7978%0.777SS**  trans53.5125.8146.3-77.1161-5.100123.4
465A36.1Very low37.7Very low87 Ų87139 Ų13972%0.71976%0.763SS**  trans-51.2165.7158.900000113.9
466P43Very low37.6Very low117 Ų117141.5 Ų141.576%0.7677%0.766SS**  -134.3129.6100.817.92.4000112.3
467Q34.9Very low37.1Very low173 Ų173136.4 Ų136.481%0.80876%0.759SS**  5898.998.8-60.2-176.93.700114.6
468N34.3Very low37Very low140 Ų140142.9 Ų142.975%0.74976%0.761SS**  -171.3118.8116.5-108.5-66.8000112.1
469M36.3Very low37Very low181 Ų181144.7 Ų144.789%0.89276%0.763SS**  trans36.2132.2137.9-59.1-154-17400119.2
470A35.8Very low36.4Very low100 Ų100154.4 Ų154.483%0.82679%0.789SS**  cis-160.7158.61500000110
471H34.1Very low36.7Very low169 Ų169151.3 Ų151.378%0.78279%0.786SS**  trans-79.6145.7-179.7-97.3-71.3000113.4
472Q34.7Very low36.7Very low145 Ų145152.8 Ų152.868%0.67879%0.789SS**  trans80.3168.3139.2-64.5-80.2-2.700118.2
473P44.9Very low35.6Very low105 Ų105155.1 Ų155.168%0.68279%0.792SS**  cis-138.2165.4-14.114.111.8000116.4
474Y30.6Very low35.8Very low210 Ų210154.6 Ų154.682%0.82479%0.793SS**  31.5135.7126-113.6-87.8000122.3
475S33.4Very low36Very low92 Ų92153.7 Ų153.764%0.64379%0.794SS**  128.1118.5124.7-66.20000117.6
476K35.7Very low35.9Very low204 Ų204158.1 Ų158.189%0.88780%0.799SS**  58.5115.1113.7-146177-167.61770118.6
477G33.8Very low35.4Very low63 Ų63161.1 Ų161.165%0.64980%0.801SS**  109.6136.8121.100000119.8
478Y33.2Very low35.5Very low213 Ų213160.2 Ų160.284%0.83580%0.801SS**  trans78.3124.6140.1-83.2-93.8000122.3
479M33.9Very low35.6Very low160 Ų160161.8 Ų161.879%0.78881%0.805SS**  trans58119.4136-81.1-176.6132.100120.4
480Y40.7Very low35.5Very low300 Ų300160.1 Ų160.1100%1.17680%0.797SS**  -144.90103.7-118.4-87000110.7

Retrieved 480 of 480 residues in 132.9 ms (Link to these results)