Z4YIK0_DANRE Loading...

Stabilizer of axonemal microtubules 6

Microtubule-binding protein that negatively regulates centriole duplication. Binds to and stabilizes microtubules.

AlphaFold DB , UniProt , Accession Z4YIK0, Species DANRE (Danio rerio, Zebrafish), Gene saxo6, Length 667 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
1M43Very low48.1Very low227 Ų227155.1 Ų155.1100%1.11879%0.788SS**  0134.10-61.7167.476.900109.1
2P44.9Very low48.3Very low123 Ų123157.8 Ų157.880%0.79978%0.781SS**  trans-88116.2177.832.4-31.1000112
3V47.5Very low48.8Very low119 Ų119153.3 Ų153.372%0.72178%0.775SS**  trans-82.6120178.6-179.40000110.5F5V3-F5 HydrophobicContact CG1-CD2 4.1Å; V3-F5 HydrophobicContact CG1-CE2 3.77Å; V3-F5 HydrophobicContact CG1-CZ 4.43Å
4R46.3Very low49.2Very low217 Ų217152.6 Ų152.682%0.81976%0.764SS**  trans-99.399.8-177.9-60.717976.9-176.69.4111.6K6R4-K6 PolarHBondContact O-N 3.38Å
5F47.1Very low49.3Very low193 Ų193154.7 Ų154.785%0.84676%0.761SS**  trans-76.3120.2171.3-78.9-87.2000111.8V3V3-F5 HydrophobicContact CG1-CD2 4.1Å; V3-F5 HydrophobicContact CG1-CE2 3.77Å; V3-F5 HydrophobicContact CG1-CZ 4.43Å
6K51.2Low49.4Very low185 Ų185156.3 Ų156.380%0.80476%0.762SS**  trans-10776.8169-82.1-175.6173.7177.60110.8R4 I8R4-K6 PolarHBondContact O-N 3.38Å; K6-I8 PolarHBondContact O-N 3.48Å
7G46.8Very low48.8Very low78 Ų78151.5 Ų151.580%0.80476%0.763SS**  trans-79.7111169.300000111.3
8I49.3Very low49.2Very low150 Ų150157.2 Ų157.277%0.76977%0.774SS**  trans-84.2116.2173.3-50173.9000108.2K6K6-I8 PolarHBondContact O-N 3.48Å
9S52.5Low48.6Very low82 Ų82156 Ų15657%0.57378%0.776SS**  trans-71.7134.5-176.361.20000112.8Y11 R12S9-Y11 PolarHBondContact O-N 3.47Å; S9-R12 PolarHBondContact O-N 3.21Å; S9-R12 VanDerWaalsContact O-N 3.08Å
10E54Low48.4Very low143 Ų143153.5 Ų153.567%0.66878%0.775SS**THydrogen-bonded Turntrans-55-25.2-179.8-65.1-169.7-157.800113.8R12 S13 K14E10-R12 PolarHBondContact O-N 3.34Å; E10-R12 VanDerWaalsContact O-N 3.17Å; E10-S13 VanDerWaalsContact O-CB 3.3Å; E10-S13 WeakPolarHBondContact O-CB 3.3Å; E10-S13 PolarHBondContact O-N 3.11Å; E10-K14 IonicContact OE2-NZ 3.12Å; E10-K14 PolarHBondContact OE2-NZ 3.13Å
11Y46.6Very low47.6Very low189 Ų189157.4 Ų157.474%0.74178%0.78SS**Hα-helixtrans-53.8-34.6177.8-157.1-96.8000112.3S9 S13S9-Y11 PolarHBondContact O-N 3.47Å; Y11-S13 VanDerWaalsContact C-N 3.32Å; Y11-S13 PolarHBondContact O-N 3.46Å
12R51Low47.2Very low187 Ų187151.8 Ų151.871%0.70676%0.763SS**Hα-helixtrans-78-13.5178.8-166.4175.2164.6-178.9-5113.7S9 E10S9-R12 PolarHBondContact O-N 3.21Å; S9-R12 VanDerWaalsContact O-N 3.08Å; E10-R12 PolarHBondContact O-N 3.34Å; E10-R12 VanDerWaalsContact O-N 3.17Å
13S54.2Low46.8Very low100 Ų100157.9 Ų157.970%0.69977%0.77SS**Hα-helixtrans-80.6-43.5177.2173.20000112.3E10 Y11E10-S13 VanDerWaalsContact O-CB 3.3Å; E10-S13 WeakPolarHBondContact O-CB 3.3Å; E10-S13 PolarHBondContact O-N 3.11Å; Y11-S13 VanDerWaalsContact C-N 3.32Å; Y11-S13 PolarHBondContact O-N 3.46Å
14K54.1Low46.3Very low144 Ų144157.2 Ų157.263%0.62677%0.771SS**Hα-helixtrans-92.7-13.1-165.4-64.2175.4-176.6156.50115E10E10-K14 IonicContact OE2-NZ 3.12Å; E10-K14 PolarHBondContact OE2-NZ 3.13Å
15Y51.3Low45.8Very low184 Ų184154.7 Ų154.772%0.72277%0.774SS**  trans-131.387.7-178.5-68.7-76.5000113.8
16K50.4Low45.2Very low179 Ų179150.3 Ų150.378%0.77877%0.767SS**  trans-123.7104147.7-77.6-155.7168.5-160.90109.2
17G40.1Very low45.2Very low75 Ų75144.9 Ų144.977%0.77375%0.75SS**  trans-65.3151.1-179.700000112.5T19G17-T19 PolarHBondContact O-N 3.18Å
18R55.7Low44.8Very low255 Ų255150 Ų15096%0.96275%0.753SS**  trans-85.1105.4173.8-65.4-177.1-179.4-152.90.5110.1
19T37.8Very low44.7Very low134 Ų134154.7 Ų154.782%0.82276%0.761SS**  trans-116.5107.815541.40000106.9G17G17-T19 PolarHBondContact O-N 3.18Å
20S43.3Very low44.5Very low106 Ų106162.3 Ų162.374%0.74178%0.777SS**  80.391.178.6-169.10000112.2
21R33.4Very low44.3Very low236 Ų236161.6 Ų161.689%0.89178%0.775SS**  trans-157.6114.3146.6-94.6155.3-162.8-147.62102.8
22S34.1Very low44.5Very low108 Ų108164 Ų16476%0.75578%0.783SS**  5077.152.4-158.20000110
23R35.9Very low44.9Very low251 Ų251162.2 Ų162.295%0.94779%0.787SS**  trans-87.1101.4160.7-87-176.7161.1178.2-6.5107.3
24S37.7Very low45Very low106 Ų106161.1 Ų161.174%0.74178%0.784SS**  trans-80.2117.5150.949.80000107.4
25D34.9Very low45.1Very low164 Ų164158 Ų15888%0.87779%0.792SS**  trans-158.5150153.5-118-30.5000111
26S34.9Very low45.4Very low100 Ų100152.7 Ų152.770%0.69978%0.776SS**  trans-164.9162.6-168.669.10000112.5
27P50.6Low45.7Very low71 Ų71152.2 Ų152.246%0.46177%0.769SS.*  cis-137.548.7-4036.4-19.3000113.3R29 M31P27-R29 PolarHBondContact O-N 2.75Å; P27-R29 VanDerWaalsContact O-N 3.14Å; P27-M31 HydrophobicContact CG-SD 4.15Å
28H39.7Very low46.9Very low186 Ų186152.4 Ų152.486%0.86176%0.759SS**THydrogen-bonded Turntrans-90.755.9-163.8-83.586.2000118.2
29R46.5Very low47.4Very low248 Ų248144.5 Ų144.594%0.93674%0.736SS**THydrogen-bonded Turntrans-158.615.1150.5-132179.5-177.9-168.5-0.3117.6P27P27-R29 PolarHBondContact O-N 2.75Å; P27-R29 VanDerWaalsContact O-N 3.14Å
30R49Very low48.8Very low243 Ų243144 Ų14492%0.91772%0.724SS**  trans-138.652176.2-62.7-167.2-164.9-173.65.9113.6
31M48.3Very low49.8Very low127 Ų127142 Ų14263%0.62671%0.71SS**  trans-129.493.1169.5-74.1177.364.700110.1P27 A34P27-M31 HydrophobicContact CG-SD 4.15Å; M31-A34 HydrophobicContact CE-CB 4.06Å
32R51.8Low51.3Low239 Ų239133.5 Ų133.590%0.90270%0.696SS**SBendtrans-129.34163.5-81.7-165.4173.1-168-2113.4L36R32-L36 WeakPolarHBondContact O-CD1 3.35Å
33L58.5Low52.8Low151 Ų151133.4 Ų133.479%0.79169%0.686SS**SBendtrans-124.3-6.6-179.4-64.8176.8000114.2L36L33-L36 HydrophobicContact CD2-CD1 4.18Å
34A56.6Low54.1Low76 Ų76128.1 Ų128.163%0.62868%0.682SS**THydrogen-bonded Turntrans-86.5114.1175.800000109.5M31M31-A34 HydrophobicContact CE-CB 4.06Å
35G55.7Low55.3Low78 Ų78130.7 Ų130.780%0.80468%0.682SS**THydrogen-bonded Turntrans109.1-5.6179.200000115.4
36L58.6Low57Low74 Ų74131.1 Ų131.139%0.38768%0.679SS.*  trans-67143.7162.1-69.8101.9000109.4R32 L33 Q40R32-L36 WeakPolarHBondContact O-CD1 3.35Å; L33-L36 HydrophobicContact CD2-CD1 4.18Å; L36-Q40 HydrophobicContact CB-CB 4.15Å; L36-Q40 HydrophobicContact CD2-CB 3.74Å
37R56.6Low58.5Low168 Ų168131.5 Ų131.563%0.63468%0.679SS**  trans-74160.3172.1-73.3161.851.8129.11.7109.5D39 Q40 S41R37-D39 VanDerWaalsContact C-N 3.25Å; R37-D39 WeakPolarHBondContact CB-OD1 2.92Å; R37-D39 IonicContact CZ-OD2 3.25Å; R37-D39 VanDerWaalsContact CZ-OD2 3.25Å; R37-D39 IonicContact NE-OD1 3.58Å; R37-D39 IonicContact NE-OD2 2.91Å; R37-D39 PolarHBondContact NE-OD2 3Å; R37-D39 IonicContact NH2-OD2 2.72Å; R37-D39 PolarHBondContact NH2-OD2 3.08Å; R37-D39 PolarHBondContact O-N 3.14Å; R37-Q40 PolarHBondContact O-N 2.68Å; R37-S41 PolarHBondContact O-N 2.96Å
38S65.6Low58.9Low79 Ų79136.9 Ų136.955%0.55270%0.698SS**G310 helixtrans-63.8-30.7-176.645.90000113.5Q40 S41 I43S38-Q40 VanDerWaalsContact C-N 3.26Å; S38-Q40 PolarHBondContact O-N 2.8Å; S38-S41 PolarHBondContact O-N 3.25Å; S38-S41 PolarHBondContact O-OG 3.28Å; S38-S41 VanDerWaalsContact O-OG 3.12Å; S38-I43 PolarHBondContact O-N 3.2Å
39D66Low59.5Low90 Ų90137.4 Ų137.448%0.48170%0.698SS.*G310 helixtrans-56-37.7170.246.731.6000112.6R37R37-D39 VanDerWaalsContact C-N 3.25Å; R37-D39 WeakPolarHBondContact CB-OD1 2.92Å; R37-D39 IonicContact CZ-OD2 3.25Å; R37-D39 VanDerWaalsContact CZ-OD2 3.25Å; R37-D39 IonicContact NE-OD1 3.58Å; R37-D39 IonicContact NE-OD2 2.91Å; R37-D39 PolarHBondContact NE-OD2 3Å; R37-D39 IonicContact NH2-OD2 2.72Å; R37-D39 PolarHBondContact NH2-OD2 3.08Å; R37-D39 PolarHBondContact O-N 3.14Å
40Q66.8Low59.9Low123 Ų123133.4 Ų133.458%0.57569%0.694SS**G310 helixtrans-86.8-10.1-180-67.4166-13.800114.6L36 R37 S38L36-Q40 HydrophobicContact CB-CB 4.15Å; L36-Q40 HydrophobicContact CD2-CB 3.74Å; R37-Q40 PolarHBondContact O-N 2.68Å; S38-Q40 VanDerWaalsContact C-N 3.26Å; S38-Q40 PolarHBondContact O-N 2.8Å
41S65.3Low60.2Low63 Ų63127.1 Ų127.144%0.44169%0.687SS.*G310 helixtrans-98.64.2179.465.20000114R37 S38 I43R37-S41 PolarHBondContact O-N 2.96Å; S38-S41 PolarHBondContact O-N 3.25Å; S38-S41 PolarHBondContact O-OG 3.28Å; S38-S41 VanDerWaalsContact O-OG 3.12Å; S41-I43 PolarHBondContact O-N 3.4Å; S41-I43 WeakPolarHBondContact OG-CG1 3.29Å
42G64.9Low60.8Low59 Ų59130.3 Ų130.361%0.60870%0.697SS**THydrogen-bonded Turntrans73.34.1-175.300000114.2T44G42-T44 VanDerWaalsContact C-N 3.31Å; G42-T44 PolarHBondContact O-N 3.15Å
43I64.2Low61.2Low105 Ų105130.6 Ų130.654%0.53870%0.698SS.*  trans-87.175.6-179.6-53.1176.2000108.6S38 S41 Q45S38-I43 PolarHBondContact O-N 3.2Å; S41-I43 PolarHBondContact O-N 3.4Å; S41-I43 WeakPolarHBondContact OG-CG1 3.29Å; I43-Q45 PolarHBondContact O-N 3.01Å
44T63.6Low61.2Low140 Ų140134.9 Ų134.986%0.85970%0.704SS**  trans-75.9-7.7179.554.90000113.9G42G42-T44 VanDerWaalsContact C-N 3.31Å; G42-T44 PolarHBondContact O-N 3.15Å
45Q63.8Low61.1Low161 Ų161137.3 Ų137.375%0.75271%0.711SS**SBendtrans-130.2119.4-175.1-170.2174.878.200110.7I43I43-Q45 PolarHBondContact O-N 3.01Å
46E70.1Confident61.4Low173 Ų173137.5 Ų137.581%0.80870%0.698SS**  trans-69.3139.1171.6-67.2-169.116100110.6Q48E46-Q48 PolarHBondContact O-N 3.16Å; E46-Q48 VanDerWaalsContact O-N 3.15Å
47P66.4Low61Low108 Ų108143.4 Ų143.470%0.70172%0.72SS**  trans-65.3116.8174.927.2-33.4000109.6F49P47-F49 PolarHBondContact O-N 3.18Å
48Q58.8Low61.2Low183 Ų183144.4 Ų144.486%0.85573%0.726SS**  trans-61.3110.9-175.6-68.6-165.92.700111.3E46 I50E46-Q48 PolarHBondContact O-N 3.16Å; E46-Q48 VanDerWaalsContact O-N 3.15Å; Q48-I50 PolarHBondContact O-N 2.91Å
49F53.2Low60.8Low198 Ų198145.3 Ų145.387%0.86873%0.729SS**  trans-58125.1168.5-93.3-93.1000109.6P47 S51P47-F49 PolarHBondContact O-N 3.18Å; F49-S51 PolarHBondContact O-N 2.72Å
50I54.5Low60.2Low164 Ų164146.3 Ų146.384%0.84174%0.744SS**  trans-58.5100.6172.3-56.3172.2000107.7Q48 K52Q48-I50 PolarHBondContact O-N 2.91Å; I50-K52 PolarHBondContact O-N 3.37Å
51S53.9Low60.2Low110 Ų110149.5 Ų149.577%0.76976%0.759SS**  trans-65.3109.6-17266.20000109.8F49 R53F49-S51 PolarHBondContact O-N 2.72Å; S51-R53 PolarHBondContact O-N 3.12Å
52K62.5Low60.2Low195 Ų195151.2 Ų151.285%0.84877%0.766SS**  trans-63.5116.2176.8-70.5-171.1177.5-177.50107.9I50 R54I50-K52 PolarHBondContact O-N 3.37Å; K52-R54 PolarHBondContact O-N 3.39Å; K52-R54 VanDerWaalsContact O-N 3.15Å
53R59.9Low60.1Low244 Ų244151.4 Ų151.492%0.92176%0.758SS**  trans-38.1120.6174.3-100.7177.3161.5169.5-5.8109.6S51 V55S51-R53 PolarHBondContact O-N 3.12Å; R53-V55 PolarHBondContact O-N 2.88Å; R53-V55 VanDerWaalsContact O-N 3.09Å
54R58.9Low59.9Low242 Ų242150.8 Ų150.891%0.91376%0.763SS**PPolyproline II helixtrans-58.3117177.8-76.4-173.9169.6-160.5-2.8109.1K52K52-R54 PolarHBondContact O-N 3.39Å; K52-R54 VanDerWaalsContact O-N 3.15Å
55V54.3Low60Low127 Ų127148.4 Ų148.477%0.7775%0.752SS**PPolyproline II helixtrans-64.6132.5168.4-179.30000107.5R53 F57R53-V55 PolarHBondContact O-N 2.88Å; R53-V55 VanDerWaalsContact O-N 3.09Å; V55-F57 PolarHBondContact O-N 3Å
56P62.2Low59.5Low81 Ų81147.6 Ų147.653%0.52675%0.747SS.*PPolyproline II helixtrans-60.1129.9176.323.5-32.8000110.3Y58P56-Y58 HydrophobicContact CB-CE2 4.36Å; P56-Y58 HydrophobicContact CG-CE2 3.87Å; P56-Y58 WeakPolarHBondContact O-CD2 3.04Å; P56-Y58 PolarHBondContact O-N 2.77Å; P56-Y58 VanDerWaalsContact O-N 3.16Å
57F49.8Very low58.8Low198 Ų198148.6 Ų148.687%0.86874%0.743SS**  trans-80.696.8-176.3-170.6-88.5000109.9V55V55-F57 PolarHBondContact O-N 3Å
58Y60.4Low57.9Low190 Ų190155.3 Ų155.375%0.74575%0.754SS**  trans-79.4126.7171.3-63.7-76.8000109.8P56P56-Y58 HydrophobicContact CB-CE2 4.36Å; P56-Y58 HydrophobicContact CG-CE2 3.87Å; P56-Y58 WeakPolarHBondContact O-CD2 3.04Å; P56-Y58 PolarHBondContact O-N 2.77Å; P56-Y58 VanDerWaalsContact O-N 3.16Å
59P57.8Low57.5Low97 Ų97154.8 Ų154.863%0.6375%0.752SS**  trans-66.9136.6171.129-33.7000109.7Q61P59-Q61 PolarHBondContact O-N 2.91Å
60S52.2Low57.1Low112 Ų112148.3 Ų148.378%0.78374%0.741SS**  trans-66.997.9-179.957.80000111.6V62S60-V62 PolarHBondContact O-N 2.9Å
61Q66.9Low56.3Low190 Ų190150.1 Ų150.189%0.88874%0.738SS**  trans-75.1107173.9-71.8-174.3-2000110.3P59P59-Q61 PolarHBondContact O-N 2.91Å
62V65.7Low55.6Low99 Ų99152.1 Ų152.160%0.674%0.74SS**  trans-76.3134.5168.8-171.30000108.9S60 F66S60-V62 PolarHBondContact O-N 2.9Å; V62-F66 HydrophobicContact CG1-CB 3.88Å
63S63.2Low54.4Low62 Ų62150.8 Ų150.843%0.43474%0.736SS.*  trans-52.1142.2175.2176.80000111.5S65 F66S63-S65 WeakPolarHBondContact CB-OG 3.42Å; S63-S65 PolarHBondContact O-N 3.15Å; S63-S65 VanDerWaalsContact O-N 3.12Å; S63-S65 PolarHBondContact OG-N 2.93Å; S63-S65 PolarHBondContact OG-OG 2.98Å; S63-F66 PolarHBondContact O-N 3.21Å; S63-F66 VanDerWaalsContact O-N 3.08Å
64S59.2Low53.5Low92 Ų92144.1 Ų144.164%0.64373%0.727SS**G310 helixtrans-55.3-28.3173.248.80000112.6F66 R67S64-F66 PolarHBondContact O-N 3.37Å; S64-F66 VanDerWaalsContact O-N 3.1Å; S64-R67 PolarHBondContact O-N 3.39Å; S64-R67 VanDerWaalsContact O-N 3.16Å
65S65.6Low52.5Low90 Ų90142 Ų14263%0.62973%0.728SS**G310 helixtrans-65.1-6.3176.768.50000115.6S63S63-S65 WeakPolarHBondContact CB-OG 3.42Å; S63-S65 PolarHBondContact O-N 3.15Å; S63-S65 VanDerWaalsContact O-N 3.12Å; S63-S65 PolarHBondContact OG-N 2.93Å; S63-S65 PolarHBondContact OG-OG 2.98Å
66F52.9Low51.5Low145 Ų145145.1 Ų145.164%0.63673%0.733SS**G310 helixtrans-113.59.6176.1-78.9-80.5000113.3V62 S63 S64 W68V62-F66 HydrophobicContact CG1-CB 3.88Å; S63-F66 PolarHBondContact O-N 3.21Å; S63-F66 VanDerWaalsContact O-N 3.08Å; S64-F66 PolarHBondContact O-N 3.37Å; S64-F66 VanDerWaalsContact O-N 3.1Å; F66-W68 PolarHBondContact O-N 3.04Å
67R56.4Low50Low194 Ų194149.8 Ų149.873%0.73275%0.748SS**  trans-83.3106.8173.7-61.8-177.1-172.6-168.92.7109.6S64 E69S64-R67 PolarHBondContact O-N 3.39Å; S64-R67 VanDerWaalsContact O-N 3.16Å; R67-E69 PolarHBondContact O-N 3.04Å
68W48.2Very low49.3Very low248 Ų248147 Ų14794%0.93974%0.742SS**  trans-80.1106.8167.8-69.192.9000108.9F66 G70F66-W68 PolarHBondContact O-N 3.04Å; W68-G70 PolarHBondContact O-N 3.23Å
69E50.6Low47.8Very low172 Ų172144.6 Ų144.680%0.80474%0.737SS**  trans-8293.6179.3-165.7167.5-92.600109.5R67 R71R67-E69 PolarHBondContact O-N 3.04Å; E69-R71 PolarHBondContact O-N 2.89Å
70G42.9Very low46.6Very low63 Ų63148.2 Ų148.265%0.64974%0.743SS**  trans-65.2114.217800000111.4W68 D72W68-G70 PolarHBondContact O-N 3.23Å; G70-D72 PolarHBondContact O-N 2.85Å
71R38.9Very low45.4Very low202 Ų202147.6 Ų147.676%0.76274%0.739SS**  trans-86.776.3175.1-72.9-169.3176.7-166.70.5111.4E69 H73E69-R71 PolarHBondContact O-N 2.89Å; R71-H73 PolarHBondContact O-N 3.41Å
72D39.5Very low43.5Very low152 Ų152150.5 Ų150.581%0.81374%0.742SS**  trans-81.3112.8167.6-68.3-48.4000110G70 S74G70-D72 PolarHBondContact O-N 2.85Å; D72-S74 PolarHBondContact O-N 3.23Å
73H37.9Very low41.7Very low167 Ų167151 Ų15177%0.77375%0.749SS**  trans-91.683.5-177.8-80.8-81.1000112R71R71-H73 PolarHBondContact O-N 3.41Å
74S38.9Very low40.4Very low104 Ų104153.5 Ų153.573%0.72776%0.764SS**  trans-16389.9165.745.90000114.9D72D72-S74 PolarHBondContact O-N 3.23Å
75Q38Very low38.9Very low198 Ų198154.2 Ų154.293%0.92578%0.776SS**  -179104.5128.8-101.2172.89.700111.1
76Q34.7Very low37.3Very low191 Ų191155.8 Ų155.889%0.89378%0.781SS**  trans-82.9132.7147.3-70.1176.5-2600106.8
77Q31.1Very low36.4Very low180 Ų180153.3 Ų153.384%0.84178%0.782SS**  170.5153.6102.6-158.3172.5-4.500111.5
78L33.5Very low36Very low140 Ų140149.7 Ų149.773%0.73378%0.784SS**  trans8498.4150.1-143.567.8000120.2
79E30.2Very low35.2Very low139 Ų139143.5 Ų143.565%0.6577%0.773SS**  trans67.6150144.2-58.7-68.297.600119.2
80K31.1Very low34.5Very low172 Ų172141.6 Ų141.675%0.74877%0.768SS**  cis-141.7154.91.4-154162.2-171.982.10112.6
81S28.6Very low33.8Very low100 Ų100148.9 Ų148.970%0.69978%0.775SS**  trans-41.7142.3-178.7580000119.2
82R26.2Very low33.4Very low251 Ų251143.5 Ų143.595%0.94778%0.775SS**  -151.9111.1124.9-156.2170.9-169.2164.93.6111.8
83S28.7Very low32.9Very low108 Ų108142 Ų14276%0.75577%0.771SS**PPolyproline II helixtrans-85.8150.9174.435.10000112
84P35.1Very low32.7Very low116 Ų116139.1 Ų139.175%0.75377%0.77SS**PPolyproline II helixtrans-82.616117734.1-35.4000112.9
85A28.8Very low32.6Very low107 Ų107138.7 Ų138.788%0.88477%0.772SS**PPolyproline II helixtrans-75.3163.3174.200000112.8
86V30.3Very low32.2Very low123 Ų123135.7 Ų135.775%0.74576%0.758SS**  trans-126.1119.8-154.3170.50000114.5
87S35Very low32.1Very low93 Ų93136 Ų13665%0.6575%0.751SS**  trans64.7-174.8154.884.20000116.2
88P48.4Very low32.1Very low118 Ų118136.2 Ų136.277%0.76675%0.752SS**  cis-110.3141.727.617.35.8000115.2
89V31.2Very low32Very low118 Ų118136.6 Ų136.672%0.71576%0.76SS**  83.6127.369.5164.40000111.5
90L34.9Very low32.2Very low132 Ų132136.2 Ų136.269%0.69177%0.767SS**  -143.6141.150.6-83.9170.4000112.2
91R29.1Very low33.6Very low215 Ų215133.5 Ų133.581%0.81177%0.767SS**  90.894.973.2-172.7-178.6-77.7172.2-5.1113.8
92A29.3Very low33.7Very low90 Ų90137.4 Ų137.474%0.74478%0.779SS**  90.9163.391.800000113.4
93T30.3Very low34Very low119 Ų119129.8 Ų129.873%0.7377%0.77SS**  cis-153.6171.632.249.30000113.8
94S32.6Very low34.8Very low108 Ų108130.1 Ų130.176%0.75577%0.77SS**  trans61.9126.7161.238.70000119.4
95A36.6Very low34.7Very low94 Ų94136.6 Ų136.678%0.77778%0.779SS**  cis89.3143.149.400000112.6
96E30.1Very low34.9Very low136 Ų136139 Ų13964%0.63678%0.777SS**  cis-172.4162.3-4.7156.5175.6-149.800111.3
97R32.3Very low36.2Very low198 Ų198138.4 Ų138.475%0.74778%0.776SS**  trans63.7139.4171-73.3155.7-147176.515.5116.1
98Q32.1Very low36.7Very low184 Ų184139.1 Ų139.186%0.8678%0.778SS**  cis76.4116.634.4-67.1-162.43.400116.8
99V32.2Very low35.7Very low147 Ų147142.9 Ų142.989%0.89179%0.786SS**  -174.7159.6128.2143.50000110.3
100T33Very low35.7Very low132 Ų132140.4 Ų140.481%0.8178%0.784SS**  trans-97.5175.8-167.217.30000114.7
101P60.9Low35.4Very low115 Ų115140.4 Ų140.475%0.74779%0.79SS**  trans-106.2167.8-15741.1-38.1000116.8
102L31.3Very low35.5Very low182 Ų182136.7 Ų136.795%0.95379%0.791SS**  trans-142.3165.1156.3-85.7178.4000111.1
103A31Very low35.6Very low91 Ų91136.4 Ų136.475%0.75279%0.788SS**  trans-138.6-157.8-173.500000110
104P47.5Very low36Very low115 Ų115136.4 Ų136.475%0.74779%0.79SS**  -120.7159.7-5433.8-21.6000112.4
105R32.5Very low35.9Very low251 Ų251137 Ų13795%0.94780%0.795SS**  trans-149156.6156.5-82.7-154.4164.6127.81.2112.7
106D32.1Very low35.7Very low158 Ų158141.2 Ų141.285%0.84580%0.798SS**  trans-104.2173.6-167.9-94.7-51.8000113.5
107P57.9Low36.3Very low110 Ų110139.5 Ų139.571%0.71480%0.799SS**  trans-92.4-170.7-159.939-39000115.1
108P46.3Very low36.5Very low109 Ų109136.4 Ų136.471%0.70880%0.804SS**  -151.8155.3105.639.3-22000119.1
109E27.2Very low36.4Very low197 Ų197136.8 Ų136.892%0.92181%0.806SS**  trans59.4159136-63.8-174.3141.600126.2
110G30.6Very low36.3Very low65 Ų65133.9 Ų133.967%0.6780%0.798SS**  trans113.696.8177.100000113.4
111T29.5Very low36.1Very low133 Ų133136.8 Ų136.882%0.81680%0.802SS**  61.4116.858-40.50000110.4
112T30.1Very low34.5Very low136 Ų136136.1 Ų136.183%0.83481%0.806SS**  cis-155.6170.842.3-300000112.7
113A30.8Very low34.6Very low84 Ų84132.3 Ų132.369%0.69480%0.801SS**  trans-99-176.2164.100000110.5
114P38.7Very low35.5Very low119 Ų119137 Ų13777%0.77381%0.808SS**  cis-141.9-148.29.145.6-24.5000114.9
115S31.2Very low35.1Very low122 Ų122138.2 Ų138.285%0.85381%0.813SS**  trans107.3159.4168.477.80000117.4
116Q32.8Very low35.8Very low182 Ų182130.8 Ų130.885%0.8580%0.8SS**  trans-150.1-178.8-159-141.4-168.2-9.400111.5
117P42.5Very low36.1Very low100 Ų100127.9 Ų127.965%0.64979%0.787SS**  -92.9177.5-115.442.5-29.8000115.6
118P37.1Very low35.3Very low132 Ų132130.2 Ų130.286%0.85779%0.787SS**  -127.8-167.9123.538.1-31.3000113.7
119Q29.8Very low35.3Very low192 Ų192128.1 Ų128.190%0.89778%0.779SS**  trans-103.1172.5-158.6-61.2-176.4-55.400116.4
120A30.1Very low36.3Very low86 Ų86122.4 Ų122.471%0.71176%0.757SS**  trans89.3110.8143.300000121.3
121E28.7Very low37.3Very low193 Ų193124.6 Ų124.690%0.90275%0.75SS**  trans79.8144.6137.3-62.1-171.1-17200123.3
122A28Very low38.4Very low101 Ų101125.8 Ų125.884%0.83574%0.744SS**  trans55.276.115600000121.4
123A33.3Very low39.5Very low103 Ų103125.9 Ų125.985%0.85173%0.734SS**  trans-159.7140.6133.600000112.3
124Q49.6Very low40.5Very low190 Ų190128.2 Ų128.289%0.88873%0.729SS**  trans-107.1101.5178.4-61.6177.216.900111.4
125T37.7Very low41.4Very low140 Ų140129.1 Ų129.186%0.85972%0.723SS**  trans178.7119.8151.722.80000111.1
126S48.3Very low42.7Very low95 Ų95126 Ų12666%0.66470%0.704SS**  trans166.4-16155.746.10000114.8F128 A129S126-F128 PolarHBondContact O-N 3.47Å; S126-A129 PolarHBondContact O-N 2.75Å; S126-A129 VanDerWaalsContact O-N 3.12Å
127T38.9Very low44Very low96 Ų96122.1 Ų122.159%0.58969%0.689SS**Hα-helixtrans-55-26.7-171.546.30000115.8A129 Q131T127-A129 PolarHBondContact O-N 3.33Å; T127-Q131 WeakPolarHBondContact O-CG 3.45Å; T127-Q131 PolarHBondContact O-N 3.27Å
128F41.1Very low44.9Very low160 Ų160122.9 Ų122.970%0.70269%0.687SS**Hα-helixtrans-65.7-29.1178.7-69.1-73.7000114.6S126 K132S126-F128 PolarHBondContact O-N 3.47Å; F128-K132 PolarHBondContact O-N 3.35Å
129A46.4Very low46.3Very low65 Ų65118.5 Ų118.554%0.53767%0.667SS.*Hα-helixtrans-68.6-49.6-178.400000111.6S126 T127 Q131 K132 Q133S126-A129 PolarHBondContact O-N 2.75Å; S126-A129 VanDerWaalsContact O-N 3.12Å; T127-A129 PolarHBondContact O-N 3.33Å; A129-Q131 VanDerWaalsContact C-N 3.28Å; A129-Q131 PolarHBondContact O-N 3.39Å; A129-K132 PolarHBondContact O-N 3.4Å; A129-Q133 PolarHBondContact O-N 3.03Å
130V47.1Very low48.1Very low77 Ų77113.9 Ų113.947%0.46765%0.647SS.*Hα-helixtrans-64.5-33.1179.2-177.70000111.5K134V130-K134 HydrophobicContact CG1-CD 4.22Å; V130-K134 WeakPolarHBondContact O-CG 3.38Å; V130-K134 PolarHBondContact O-N 3.12Å; V130-K134 VanDerWaalsContact O-N 3.11Å
131Q51.3Low49.9Very low110 Ų110114.1 Ų114.151%0.51464%0.636SS.*Hα-helixtrans-67.3-42.2175-73-178.2-0.200112.5T127 A129 K134 Q135T127-Q131 WeakPolarHBondContact O-CG 3.45Å; T127-Q131 PolarHBondContact O-N 3.27Å; A129-Q131 VanDerWaalsContact C-N 3.28Å; A129-Q131 PolarHBondContact O-N 3.39Å; Q131-K134 PolarHBondContact O-N 3.37Å; Q131-Q135 WeakPolarHBondContact O-CG 3.45Å; Q131-Q135 PolarHBondContact O-N 3.18Å
132K53.6Low51.8Low159 Ų159109.2 Ų109.269%0.69161%0.613SS**Hα-helixtrans-62.1-43.7176-82.8-174.3173.5-179.50112.5F128 A129 Q135 A136F128-K132 PolarHBondContact O-N 3.35Å; A129-K132 PolarHBondContact O-N 3.4Å; K132-Q135 PolarHBondContact O-N 2.81Å; K132-A136 WeakPolarHBondContact O-CB 3.21Å; K132-A136 PolarHBondContact O-N 3.26Å
133Q52.5Low54Low137 Ų137107 Ų10764%0.6460%0.595SS**Hα-helixtrans-61.5-43.6174.8-84.1-178.4-33.400112.3A129 Q135 A136 L137A129-Q133 PolarHBondContact O-N 3.03Å; Q133-Q135 PolarHBondContact O-N 2.86Å; Q133-A136 PolarHBondContact O-N 2.94Å; Q133-L137 WeakPolarHBondContact O-CG 3.31Å; Q133-L137 PolarHBondContact O-N 3.03Å
134K52.8Low56.1Low134 Ų134107.1 Ų107.158%0.58358%0.581SS**Hα-helixtrans-64.3-38.1177.1-73178179.2-178.50112.6V130 Q131 N138V130-K134 HydrophobicContact CG1-CD 4.22Å; V130-K134 WeakPolarHBondContact O-CG 3.38Å; V130-K134 PolarHBondContact O-N 3.12Å; V130-K134 VanDerWaalsContact O-N 3.11Å; Q131-K134 PolarHBondContact O-N 3.37Å; K134-N138 WeakPolarHBondContact O-CB 3.41Å; K134-N138 PolarHBondContact O-N 3.16Å; K134-N138 PolarHBondContact O-ND2 3.11Å
135Q57.5Low57.3Low138 Ų138102.4 Ų102.465%0.64556%0.555SS**Hα-helixtrans-66.1-42.5173.7-74.4179.3-900112.4Q131 K132 Q133 N138 G139Q131-Q135 WeakPolarHBondContact O-CG 3.45Å; Q131-Q135 PolarHBondContact O-N 3.18Å; K132-Q135 PolarHBondContact O-N 2.81Å; Q133-Q135 PolarHBondContact O-N 2.86Å; Q135-N138 PolarHBondContact O-N 3.1Å; Q135-G139 PolarHBondContact O-N 3.12Å
136A58.7Low58.8Low55 Ų55101 Ų10146%0.45554%0.54SS..Hα-helixtrans-61.6-47.4176.200000112K132 Q133 N138 G139 I140K132-A136 WeakPolarHBondContact O-CB 3.21Å; K132-A136 PolarHBondContact O-N 3.26Å; Q133-A136 PolarHBondContact O-N 2.94Å; A136-N138 VanDerWaalsContact C-N 3.33Å; A136-N138 PolarHBondContact O-N 3.28Å; A136-G139 PolarHBondContact O-N 2.93Å; A136-G139 VanDerWaalsContact O-N 3.16Å; A136-I140 WeakPolarHBondContact O-CG1 3.43Å; A136-I140 PolarHBondContact O-N 3.08Å
137L58.6Low60.2Low102 Ų102105.8 Ų105.853%0.53455%0.549SS..Hα-helixtrans-62.5-38.1176.6-70.6169.5000112.3Q133 I140 N141Q133-L137 WeakPolarHBondContact O-CG 3.31Å; Q133-L137 PolarHBondContact O-N 3.03Å; L137-I140 PolarHBondContact O-N 2.92Å; L137-N141 WeakPolarHBondContact O-CB 3.44Å; L137-N141 PolarHBondContact O-N 3.19Å; L137-N141 PolarHBondContact O-ND2 3.4Å
138N61.8Low61.7Low115 Ų115104.4 Ų104.462%0.61555%0.547SS*.Hα-helixtrans-65.4-38.8173.9-73.6-11.8000112.1K134 Q135 A136 N141 H142K134-N138 WeakPolarHBondContact O-CB 3.41Å; K134-N138 PolarHBondContact O-N 3.16Å; K134-N138 PolarHBondContact O-ND2 3.11Å; Q135-N138 PolarHBondContact O-N 3.1Å; A136-N138 VanDerWaalsContact C-N 3.33Å; A136-N138 PolarHBondContact O-N 3.28Å; N138-N141 PolarHBondContact O-N 2.89Å; N138-H142 WeakPolarHBondContact O-CB 3.34Å; N138-H142 PolarHBondContact O-N 2.94Å
139G65.6Low63.1Low41 Ų41100 Ų10042%0.42355%0.547SS..Hα-helixtrans-65.2-41.9174.500000113.3Q135 A136 H142 A143Q135-G139 PolarHBondContact O-N 3.12Å; A136-G139 PolarHBondContact O-N 2.93Å; A136-G139 VanDerWaalsContact O-N 3.16Å; G139-H142 WeakPolarHBondContact O-CB 3.31Å; G139-H142 PolarHBondContact O-N 2.99Å; G139-A143 PolarHBondContact O-N 3.49Å
140I67.8Low64.4Low95 Ų95102.1 Ų102.149%0.48755%0.549SS..Hα-helixtrans-63.2-47.3175.2-67.4162.5000110.3A136 L137 H142 A143 L144A136-I140 WeakPolarHBondContact O-CG1 3.43Å; A136-I140 PolarHBondContact O-N 3.08Å; L137-I140 PolarHBondContact O-N 2.92Å; I140-H142 VanDerWaalsContact C-N 3.29Å; I140-H142 PolarHBondContact O-N 3.26Å; I140-A143 PolarHBondContact O-N 2.92Å; I140-A143 VanDerWaalsContact O-N 3.16Å; I140-L144 HydrophobicContact CG2-CD1 3.94Å; I140-L144 HydrophobicContact CG2-CG 4.4Å; I140-L144 WeakPolarHBondContact O-CG 3.39Å; I140-L144 PolarHBondContact O-N 3.35Å
141N67.8Low65Low91 Ų91109.3 Ų109.349%0.48757%0.567SS.*Hα-helixtrans-62.1-34.9175.9-81.2-70.1000112.6L137 N138 R145L137-N141 WeakPolarHBondContact O-CB 3.44Å; L137-N141 PolarHBondContact O-N 3.19Å; L137-N141 PolarHBondContact O-ND2 3.4Å; N138-N141 PolarHBondContact O-N 2.89Å; N141-R145 WeakPolarHBondContact O-CB 3.47Å; N141-R145 PolarHBondContact O-N 3.39Å
142H69.6Low65.4Low89 Ų89106.4 Ų106.441%0.41256%0.559SS.*Hα-helixtrans-63.5-47.6171.6-179.9-79.5000111.8N138 G139 I140 R145 M146 S152N138-H142 WeakPolarHBondContact O-CB 3.34Å; N138-H142 PolarHBondContact O-N 2.94Å; G139-H142 WeakPolarHBondContact O-CB 3.31Å; G139-H142 PolarHBondContact O-N 2.99Å; I140-H142 VanDerWaalsContact C-N 3.29Å; I140-H142 PolarHBondContact O-N 3.26Å; H142-R145 PolarHBondContact O-N 3.31Å; H142-M146 WeakPolarHBondContact O-CG 3.36Å; H142-M146 PolarHBondContact O-N 3.3Å; H142-S152 WeakPolarHBondContact CD2-CB 3.49Å; H142-S152 VanDerWaalsContact NE2-CB 3.3Å; H142-S152 WeakPolarHBondContact NE2-CB 3.38Å; H142-S152 PolarHBondContact NE2-OG 2.88Å; H142-S152 VanDerWaalsContact NE2-OG 3.09Å
143A74.8Confident65.6Low56 Ų56106.4 Ų106.446%0.46356%0.562SS.*Hα-helixtrans-64.5-41.9-179.900000112.8G139 I140 M146 K147G139-A143 PolarHBondContact O-N 3.49Å; I140-A143 PolarHBondContact O-N 2.92Å; I140-A143 VanDerWaalsContact O-N 3.16Å; A143-M146 PolarHBondContact O-N 3.22Å; A143-K147 PolarHBondContact O-N 3.46Å
144L76.5Confident65.4Low104 Ų104108.2 Ų108.255%0.54557%0.57SS.*Hα-helixtrans-64-43.4174.3-69.1173.1000111.5I140 M146 K147 A148I140-L144 HydrophobicContact CG2-CD1 3.94Å; I140-L144 HydrophobicContact CG2-CG 4.4Å; I140-L144 WeakPolarHBondContact O-CG 3.39Å; I140-L144 PolarHBondContact O-N 3.35Å; L144-M146 VanDerWaalsContact C-N 3.35Å; L144-M146 PolarHBondContact O-N 3.14Å; L144-K147 PolarHBondContact O-N 3.41Å; L144-A148 WeakPolarHBondContact O-CB 3.38Å; L144-A148 PolarHBondContact O-N 3.06Å
145R74Confident65Low92 Ų92108.7 Ų108.735%0.34757%0.574SS.*Hα-helixtrans-61.2-42.2177-165.6-171-61.9-155.8-0.6112N141 H142 A148 G149 L150 R151N141-R145 WeakPolarHBondContact O-CB 3.47Å; N141-R145 PolarHBondContact O-N 3.39Å; H142-R145 PolarHBondContact O-N 3.31Å; R145-A148 CarbonylContact O-C 3.48Å; R145-A148 PolarHBondContact O-N 3.34Å; R145-G149 PolarHBondContact O-N 2.8Å; R145-L150 HydrophobicContact CG-CB 3.45Å; R145-L150 VanDerWaalsContact CG-CB 3.45Å; R145-L150 PolarHBondContact O-N 3.27Å; R145-R151 WeakPolarHBondContact CD-O 3.34Å; R145-R151 PolarHBondContact NH1-O 3.35Å
146M71.1Confident64.6Low111 Ų111114.2 Ų114.255%0.54759%0.589SS.*Hα-helixtrans-63.9-41.6174.2-71.9-67.7-67.600112.4H142 A143 L144 A148 G149H142-M146 WeakPolarHBondContact O-CG 3.36Å; H142-M146 PolarHBondContact O-N 3.3Å; A143-M146 PolarHBondContact O-N 3.22Å; L144-M146 VanDerWaalsContact C-N 3.35Å; L144-M146 PolarHBondContact O-N 3.14Å; M146-A148 VanDerWaalsContact C-N 3.28Å; M146-A148 PolarHBondContact O-N 2.83Å; M146-G149 PolarHBondContact O-N 2.88Å; M146-G149 VanDerWaalsContact O-N 3.12Å
147K77Confident63.9Low194 Ų194117.9 Ų117.984%0.84360%0.601SS**Hα-helixtrans-63.7-31.4172.8-85.8-169.1170.9-173.30113A143 L144 G149A143-K147 PolarHBondContact O-N 3.46Å; L144-K147 PolarHBondContact O-N 3.41Å; K147-G149 PolarHBondContact O-N 3.25Å
148A71.3Confident63.5Low68 Ų68115.6 Ų115.656%0.56260%0.602SS**THydrogen-bonded Turntrans-80.14.7174.300000114L144 R145 M146 L150L144-A148 WeakPolarHBondContact O-CB 3.38Å; L144-A148 PolarHBondContact O-N 3.06Å; R145-A148 CarbonylContact O-C 3.48Å; R145-A148 PolarHBondContact O-N 3.34Å; M146-A148 VanDerWaalsContact C-N 3.28Å; M146-A148 PolarHBondContact O-N 2.83Å; A148-L150 HydrophobicContact CB-CD1 4.27Å; A148-L150 HydrophobicContact CB-CG 4.37Å; A148-L150 PolarHBondContact O-N 3.46Å; A148-L150 VanDerWaalsContact O-N 3.16Å
149G70.2Confident63Low67 Ų67117 Ų11769%0.69161%0.609SS**THydrogen-bonded Turntrans70.53-177.700000115R145 M146 K147R145-G149 PolarHBondContact O-N 2.8Å; M146-G149 PolarHBondContact O-N 2.88Å; M146-G149 VanDerWaalsContact O-N 3.12Å; K147-G149 PolarHBondContact O-N 3.25Å
150L73.8Confident62.6Low110 Ų110123 Ų12358%0.57663%0.631SS**PPolyproline II helixtrans-83.1143.3-177.9-69.6172.6000110.7R145 A148R145-L150 HydrophobicContact CG-CB 3.45Å; R145-L150 VanDerWaalsContact CG-CB 3.45Å; R145-L150 PolarHBondContact O-N 3.27Å; A148-L150 HydrophobicContact CB-CD1 4.27Å; A148-L150 HydrophobicContact CB-CG 4.37Å; A148-L150 PolarHBondContact O-N 3.46Å; A148-L150 VanDerWaalsContact O-N 3.16Å
151R59.1Low62.9Low227 Ų227121 Ų12186%0.85763%0.626SS**PPolyproline II helixtrans-74.4130.5-178.4-76-79.1159.9167.6-6.9111.4R145R145-R151 WeakPolarHBondContact CD-O 3.34Å; R145-R151 PolarHBondContact NH1-O 3.35Å
152S59.6Low62.6Low49 Ų49122.1 Ų122.134%0.34363%0.628SS.*PPolyproline II helixtrans-67.6131169.7450000110.8H142 H154H142-S152 WeakPolarHBondContact CD2-CB 3.49Å; H142-S152 VanDerWaalsContact NE2-CB 3.3Å; H142-S152 WeakPolarHBondContact NE2-CB 3.38Å; H142-S152 PolarHBondContact NE2-OG 2.88Å; H142-S152 VanDerWaalsContact NE2-OG 3.09Å; S152-H154 PolarHBondContact O-N 3.11Å
153E57.5Low62.3Low160 Ų160126 Ų12675%0.74864%0.64SS**  trans-100.787.8-175.2-176.3169.3-156.300109.1
154H47.6Very low61.7Low174 Ų174128.7 Ų128.781%0.80664%0.643SS**  trans-148.6132.4166.8-110.756.7000110.9S152S152-H154 PolarHBondContact O-N 3.11Å
155Q46.2Very low61.2Low144 Ų144131.6 Ų131.667%0.67365%0.647SS**  trans38.1110.3158.7-62.4-61.3-10.400119N157Q155-N157 PolarHBondContact O-N 3.44Å
156R48.7Very low61Low255 Ų255133.1 Ų133.196%0.96266%0.658SS**  trans-73.561.9162.5-66.4-177.6-177.8162.81.3111.1
157N44Very low60.5Low131 Ų131133.9 Ų133.970%0.70166%0.659SS**  trans-64.1139.2171.4-73.9-8.4000109.6Q155Q155-N157 PolarHBondContact O-N 3.44Å
158G49.9Very low59.6Low54 Ų54131.6 Ų131.656%0.55765%0.652SS**  trans-59.9146.8-164.100000114.9N160G158-N160 PolarHBondContact O-N 2.87Å; G158-N160 VanDerWaalsContact O-N 3.09Å
159L51.5Low58.5Low146 Ų146139.7 Ų139.776%0.76467%0.669SS**  trans-67.8104.7172.6-67.3168.3000109.4S161 Q164L159-S161 PolarHBondContact O-N 3.02Å; L159-Q164 PolarHBondContact O-OE1 2.71Å
160N57.5Low57.8Low166 Ų166145.7 Ų145.789%0.88868%0.676SS**  trans-73.558.7-178.5-70.1-30.8000112.8G158G158-N160 PolarHBondContact O-N 2.87Å; G158-N160 VanDerWaalsContact O-N 3.09Å
161S73.3Confident57.2Low53 Ų53145.6 Ų145.637%0.37168%0.68SS.*  trans-79.6138.9172.772.30000111L159 Y163 Q164 R165L159-S161 PolarHBondContact O-N 3.02Å; S161-Y163 PolarHBondContact O-N 2.93Å; S161-Q164 PolarHBondContact O-N 3.21Å; S161-Q164 VanDerWaalsContact O-N 3.1Å; S161-Q164 VanDerWaalsContact OG-CB 3.23Å; S161-Q164 WeakPolarHBondContact OG-CB 3.49Å; S161-Q164 PolarHBondContact OG-N 3.31Å; S161-R165 PolarHBondContact O-N 3.22Å
162E61.9Low57.1Low114 Ų114140.7 Ų140.753%0.53368%0.678SS.*Hα-helixtrans-63.1-32.7177.6179.5149.4-122.200112.3Q164 R165 Q166E162-Q164 PolarHBondContact O-N 3.12Å; E162-R165 WeakPolarHBondContact O-CB 3.47Å; E162-R165 PolarHBondContact O-N 2.81Å; E162-R165 IonicContact OE1-CZ 2.6Å; E162-R165 IonicContact OE1-NH1 2.65Å; E162-R165 PolarHBondContact OE1-NH1 3.16Å; E162-R165 IonicContact OE1-NH2 3.16Å; E162-Q166 HydrophobicContact CG-CG 4.49Å; E162-Q166 WeakPolarHBondContact O-CG 3.47Å; E162-Q166 PolarHBondContact O-N 3.26Å
163Y63Low56.6Low170 Ų170144.1 Ų144.167%0.66770%0.696SS**Hα-helixtrans-58.1-37.3173.6-138.9-89.1000112.3S161 Q166 F167S161-Y163 PolarHBondContact O-N 2.93Å; Y163-Q166 PolarHBondContact O-N 3.33Å; Y163-F167 HydrophobicContact CD1-CD2 4.05Å; Y163-F167 AromaticContact CE1-CD2 3.92Å; Y163-F167 HydrophobicContact CE1-CD2 3.92Å; Y163-F167 HydrophobicContact CE1-CE2 4.24Å; Y163-F167 PolarHBondContact O-N 2.97Å
164Q61.9Low56.6Low113 Ų113140.6 Ų140.653%0.52869%0.694SS.*Hα-helixtrans-77.1-22.8177.3-174.5170.4-1400113.1L159 S161 E162 M168L159-Q164 PolarHBondContact O-OE1 2.71Å; S161-Q164 PolarHBondContact O-N 3.21Å; S161-Q164 VanDerWaalsContact O-N 3.1Å; S161-Q164 VanDerWaalsContact OG-CB 3.23Å; S161-Q164 WeakPolarHBondContact OG-CB 3.49Å; S161-Q164 PolarHBondContact OG-N 3.31Å; E162-Q164 PolarHBondContact O-N 3.12Å; Q164-M168 VanDerWaalsContact O-CG 3.24Å; Q164-M168 WeakPolarHBondContact O-CG 3.42Å
165R66.6Low57.4Low165 Ų165137.5 Ų137.562%0.62368%0.68SS**Hα-helixtrans-72.3-39.5167.1-73.2170.150.4-123.8-7.6111.9S161 E162S161-R165 PolarHBondContact O-N 3.22Å; E162-R165 WeakPolarHBondContact O-CB 3.47Å; E162-R165 PolarHBondContact O-N 2.81Å; E162-R165 IonicContact OE1-CZ 2.6Å; E162-R165 IonicContact OE1-NH1 2.65Å; E162-R165 PolarHBondContact OE1-NH1 3.16Å; E162-R165 IonicContact OE1-NH2 3.16Å
166Q69.7Low58.5Low125 Ų125133.1 Ų133.158%0.58467%0.666SS**Hα-helixtrans-76.8-38.1-177.6-70.6174.9-19.200112.6E162 Y163E162-Q166 HydrophobicContact CG-CG 4.49Å; E162-Q166 WeakPolarHBondContact O-CG 3.47Å; E162-Q166 PolarHBondContact O-N 3.26Å; Y163-Q166 PolarHBondContact O-N 3.33Å
167F60.8Low59.9Low127 Ų127126.4 Ų126.456%0.55766%0.655SS**THydrogen-bonded Turntrans-113.456.9179.6-66.1-83000111.6Y163 W169Y163-F167 HydrophobicContact CD1-CD2 4.05Å; Y163-F167 AromaticContact CE1-CD2 3.92Å; Y163-F167 HydrophobicContact CE1-CD2 3.92Å; Y163-F167 HydrophobicContact CE1-CE2 4.24Å; Y163-F167 PolarHBondContact O-N 2.97Å; F167-W169 PolarHBondContact O-N 3.09Å
168M58.3Low61.3Low145 Ų145127.1 Ų127.171%0.71466%0.658SS**  trans-64.1104.6168.9-71.2-177.367.900110.2Q164 K170Q164-M168 VanDerWaalsContact O-CG 3.24Å; Q164-M168 WeakPolarHBondContact O-CG 3.42Å; M168-K170 PolarHBondContact O-N 3.15Å
169W47.3Very low62.5Low238 Ų238128.5 Ų128.590%0.90265%0.652SS**  trans-61.8127.6162.6-71.265.7000107.5F167 T171F167-W169 PolarHBondContact O-N 3.09Å; W169-T171 PolarHBondContact O-N 2.81Å
170K55.3Low63.8Low193 Ų193123.4 Ų123.484%0.83963%0.631SS**SBendtrans-61.5111.7-162.2-67.2-178.3178.9-178.40111.9M168M168-K170 PolarHBondContact O-N 3.15Å
171T60.6Low64.7Low109 Ų109117.7 Ų117.767%0.66961%0.607SS**SBendtrans60.4153.4175.151.70000115.8W169 V173W169-T171 PolarHBondContact O-N 2.81Å; T171-V173 PolarHBondContact O-N 2.99Å
172P57.1Low64.8Low124 Ų124120.5 Ų120.581%0.80561%0.614SS**SBendtrans-58.2120.5149.328.5-31.7000106.5A174P172-A174 PolarHBondContact O-N 3.45Å
173V50.1Low65.7Low120 Ų120120.3 Ų120.373%0.72761%0.613SS**  trans-57.1113.4178.8173.40000107.5T171 E175T171-V173 PolarHBondContact O-N 2.99Å; V173-E175 PolarHBondContact O-N 3.15Å
174A57.9Low66.4Low86 Ų86118 Ų11871%0.71161%0.61SS**PPolyproline II helixtrans-50.3127.1171.900000107.7P172 S176P172-A174 PolarHBondContact O-N 3.45Å; A174-S176 PolarHBondContact O-N 2.81Å
175E63.8Low66.9Low110 Ų110117.1 Ų117.151%0.51461%0.608SS.*PPolyproline II helixtrans-46.7119.7-166.3-67.9-169.2-179.700109.7V173 L179 Q183V173-E175 PolarHBondContact O-N 3.15Å; E175-L179 HydrophobicContact CB-CD2 4.09Å; E175-L179 HydrophobicContact CB-CG 4.4Å; E175-L179 HydrophobicContact CG-CD2 4.16Å; E175-Q183 PolarHBondContact OE2-NE2 3.11Å
176S70.4Confident67.1Low52 Ų52112.2 Ų112.236%0.36459%0.59SS.*PPolyproline II helixtrans-54.8148.5-164.668.90000109.9A174 L178 L179 A180A174-S176 PolarHBondContact O-N 2.81Å; S176-L178 CarbonylContact O-C 3.52Å; S176-L178 PolarHBondContact O-N 3.49Å; S176-L179 WeakPolarHBondContact O-CA 3.34Å; S176-L179 WeakPolarHBondContact O-CB 3.48Å; S176-L179 PolarHBondContact O-N 3.46Å; S176-L179 PolarHBondContact OG-N 3.08Å; S176-A180 PolarHBondContact O-N 3.15Å
177P76.6Confident67.3Low113 Ų113110 Ų11073%0.73459%0.588SS**Hα-helixtrans-52.7-28.5-175.3-30.636.5000113.8A181P177-A181 WeakPolarHBondContact O-CB 3.44Å; P177-A181 PolarHBondContact O-N 2.69Å
178L73.5Confident68Low146 Ų146109.4 Ų109.476%0.76459%0.591SS**Hα-helixtrans-69.8-42.9170.3-65.3175.2000113.9S176 H182S176-L178 CarbonylContact O-C 3.52Å; S176-L178 PolarHBondContact O-N 3.49Å; L178-H182 WeakPolarHBondContact O-CB 3.43Å; L178-H182 PolarHBondContact O-N 2.86Å
179L76.2Confident68.5Low84 Ų84106.4 Ų106.444%0.4458%0.578SS.*Hα-helixtrans-68.5-41.2176.2-17661.7000111.6E175 S176 H182 Q183E175-L179 HydrophobicContact CB-CD2 4.09Å; E175-L179 HydrophobicContact CB-CG 4.4Å; E175-L179 HydrophobicContact CG-CD2 4.16Å; S176-L179 WeakPolarHBondContact O-CA 3.34Å; S176-L179 WeakPolarHBondContact O-CB 3.48Å; S176-L179 PolarHBondContact O-N 3.46Å; S176-L179 PolarHBondContact OG-N 3.08Å; L179-H182 WeakPolarHBondContact O-CB 3.37Å; L179-H182 PolarHBondContact O-N 3.27Å; L179-Q183 WeakPolarHBondContact O-CB 3.35Å; L179-Q183 PolarHBondContact O-N 3.29Å
180A78Confident69.5Low38 Ų38106.5 Ų106.531%0.31458%0.578SS.*Hα-helixtrans-63.2-47.3174.300000111.5S176 H182 Q183 M184S176-A180 PolarHBondContact O-N 3.15Å; A180-H182 VanDerWaalsContact C-N 3.35Å; A180-H182 PolarHBondContact O-N 3.18Å; A180-Q183 WeakPolarHBondContact O-CB 3.33Å; A180-Q183 PolarHBondContact O-N 2.89Å; A180-M184 WeakPolarHBondContact O-CG 3.44Å; A180-M184 PolarHBondContact O-N 3.31Å
181A76.1Confident70.5Confident47 Ų47102 Ų10239%0.38858%0.577SS.*Hα-helixtrans-62.3-40174.500000112.4P177 M184 L185P177-A181 WeakPolarHBondContact O-CB 3.44Å; P177-A181 PolarHBondContact O-N 2.69Å; A181-M184 PolarHBondContact O-N 2.63Å; A181-L185 WeakPolarHBondContact O-CB 3.31Å; A181-L185 VanDerWaalsContact O-CG 3.28Å; A181-L185 WeakPolarHBondContact O-CG 3.46Å; A181-L185 PolarHBondContact O-N 2.73Å
182H75.6Confident71Confident112 Ų112100.5 Ų100.552%0.51956%0.564SS.*Hα-helixtrans-60.1-45173.5-174.9-76.6000111L178 L179 A180 L185 Y186L178-H182 WeakPolarHBondContact O-CB 3.43Å; L178-H182 PolarHBondContact O-N 2.86Å; L179-H182 WeakPolarHBondContact O-CB 3.37Å; L179-H182 PolarHBondContact O-N 3.27Å; A180-H182 VanDerWaalsContact C-N 3.35Å; A180-H182 PolarHBondContact O-N 3.18Å; H182-L185 PolarHBondContact O-N 2.77Å; H182-Y186 AromaticContact CD2-CE2 3.76Å; H182-Y186 AromaticContact CE1-CD2 3.71Å; H182-Y186 AromaticContact CG-CE2 3.88Å; H182-Y186 AromaticContact ND1-CD2 3.6Å; H182-Y186 AromaticContact ND1-CE2 3.64Å; H182-Y186 AromaticContact NE2-CD2 3.76Å; H182-Y186 AromaticContact NE2-CE2 3.65Å; H182-Y186 WeakPolarHBondContact O-CD2 3.15Å; H182-Y186 PolarHBondContact O-N 3.07Å
183Q80.9Confident71.7Confident109 Ų10999.4 Ų99.451%0.50956%0.557SS.*Hα-helixtrans-60.6-46.4176.5-161.1-179.5110.800111.6E175 L179 A180 L185 Y186 S187E175-Q183 PolarHBondContact OE2-NE2 3.11Å; L179-Q183 WeakPolarHBondContact O-CB 3.35Å; L179-Q183 PolarHBondContact O-N 3.29Å; A180-Q183 WeakPolarHBondContact O-CB 3.33Å; A180-Q183 PolarHBondContact O-N 2.89Å; Q183-L185 PolarHBondContact O-N 3.47Å; Q183-Y186 PolarHBondContact O-N 3.45Å; Q183-S187 WeakPolarHBondContact O-CB 3.23Å; Q183-S187 PolarHBondContact O-N 2.98Å; Q183-S187 PolarHBondContact O-OG 3.25Å
184M76.9Confident72.7Confident121 Ų12197.8 Ų97.860%0.59655%0.549SS*.Hα-helixtrans-62-38.3176.2-70.9-173.568.500113.6A180 A181 S187 N188A180-M184 WeakPolarHBondContact O-CG 3.44Å; A180-M184 PolarHBondContact O-N 3.31Å; A181-M184 PolarHBondContact O-N 2.63Å; M184-S187 WeakPolarHBondContact CA-OG 3.37Å; M184-S187 PolarHBondContact O-OG 2.88Å; M184-S187 VanDerWaalsContact O-OG 3.12Å; M184-N188 VanDerWaalsContact O-CB 3.32Å; M184-N188 WeakPolarHBondContact O-CB 3.25Å; M184-N188 VanDerWaalsContact O-CG 3.3Å; M184-N188 PolarHBondContact O-N 2.77Å; M184-N188 VanDerWaalsContact O-N 3.08Å
185L74.1Confident73.3Confident95 Ų95101.2 Ų101.250%0.49755%0.548SS..Hα-helixtrans-63.7-45179.9-77.4166.9000111.8A181 H182 Q183 N189A181-L185 WeakPolarHBondContact O-CB 3.31Å; A181-L185 VanDerWaalsContact O-CG 3.28Å; A181-L185 WeakPolarHBondContact O-CG 3.46Å; A181-L185 PolarHBondContact O-N 2.73Å; H182-L185 PolarHBondContact O-N 2.77Å; Q183-L185 PolarHBondContact O-N 3.47Å; L185-N189 WeakPolarHBondContact O-CB 3.37Å; L185-N189 PolarHBondContact O-N 2.65Å; L185-N189 VanDerWaalsContact O-N 3.09Å
186Y70.9Confident73.6Confident63 Ų63104.6 Ų104.625%0.24756%0.561CS.*Hα-helixtrans-84.9-20.5-179.5-63.1-70.1000114.2H182 Q183 I192 P194 F195H182-Y186 AromaticContact CD2-CE2 3.76Å; H182-Y186 AromaticContact CE1-CD2 3.71Å; H182-Y186 AromaticContact CG-CE2 3.88Å; H182-Y186 AromaticContact ND1-CD2 3.6Å; H182-Y186 AromaticContact ND1-CE2 3.64Å; H182-Y186 AromaticContact NE2-CD2 3.76Å; H182-Y186 AromaticContact NE2-CE2 3.65Å; H182-Y186 WeakPolarHBondContact O-CD2 3.15Å; H182-Y186 PolarHBondContact O-N 3.07Å; Q183-Y186 PolarHBondContact O-N 3.45Å; Y186-I192 HydrophobicContact CD1-CB 4.4Å; Y186-I192 HydrophobicContact CD1-CG2 4.41Å; Y186-I192 WeakPolarHBondContact CD1-O 3.42Å; Y186-I192 HydrophobicContact CE1-CB 4.25Å; Y186-I192 HydrophobicContact CE1-CG2 3.77Å; Y186-P194 VanDerWaalsContact CE1-CA 3.5Å; Y186-P194 HydrophobicContact CE1-CB 4.43Å; Y186-F195 PolarHBondContact OH-N 3Å; Y186-F195 VanDerWaalsContact OH-N 3.12Å
187S73.8Confident73.5Confident78 Ų78107.1 Ų107.155%0.54558%0.575SS.*Hα-helixtrans-72.1-45170.466.70000111.7Q183 M184Q183-S187 WeakPolarHBondContact O-CB 3.23Å; Q183-S187 PolarHBondContact O-N 2.98Å; Q183-S187 PolarHBondContact O-OG 3.25Å; M184-S187 WeakPolarHBondContact CA-OG 3.37Å; M184-S187 PolarHBondContact O-OG 2.88Å; M184-S187 VanDerWaalsContact O-OG 3.12Å
188N74.8Confident72.8Confident114 Ų114108.4 Ų108.461%0.6158%0.575SS**Hα-helixtrans-84.4-33.6-172.7-62.6-3.8000111.9M184M184-N188 VanDerWaalsContact O-CB 3.32Å; M184-N188 WeakPolarHBondContact O-CB 3.25Å; M184-N188 VanDerWaalsContact O-CG 3.3Å; M184-N188 PolarHBondContact O-N 2.77Å; M184-N188 VanDerWaalsContact O-N 3.08Å
189N68.6Low72.5Confident82 Ų82106.6 Ų106.644%0.43957%0.572SS.*  trans-114.574179.6-61.5-70000111.6L185 A191 I192L185-N189 WeakPolarHBondContact O-CB 3.37Å; L185-N189 PolarHBondContact O-N 2.65Å; L185-N189 VanDerWaalsContact O-N 3.09Å; N189-A191 PolarHBondContact O-N 3.38Å; N189-I192 HydrophobicContact CB-CD1 3.62Å; N189-I192 HydrophobicContact CB-CG1 3.79Å; N189-I192 PolarHBondContact O-N 3.11Å
190R69.2Low71.9Confident240 Ų240108.1 Ų108.191%0.90659%0.585SS**THydrogen-bonded Turntrans-58.3-13.2176.7-163175.8-176.7-168.31.3114.2
191A76.3Confident71.3Confident100 Ų100112.7 Ų112.783%0.82660%0.603SS**THydrogen-bonded Turntrans-77.4-16.8172.800000114.2N189 P193N189-A191 PolarHBondContact O-N 3.38Å; A191-P193 WeakPolarHBondContact O-CD 3.39Å
192I70.4Confident71Confident76 Ų76118.8 Ų118.839%0.3963%0.625SS.*SBendtrans-84.3114.4176-54.5177.3000108.1Y186 N189Y186-I192 HydrophobicContact CD1-CB 4.4Å; Y186-I192 HydrophobicContact CD1-CG2 4.41Å; Y186-I192 WeakPolarHBondContact CD1-O 3.42Å; Y186-I192 HydrophobicContact CE1-CB 4.25Å; Y186-I192 HydrophobicContact CE1-CG2 3.77Å; N189-I192 HydrophobicContact CB-CD1 3.62Å; N189-I192 HydrophobicContact CB-CG1 3.79Å; N189-I192 PolarHBondContact O-N 3.11Å
193P71.8Confident70.9Confident102 Ų102118.7 Ų118.766%0.66263%0.625SS**  trans-66.1139.9175.928.2-33.9000109.8A191 F195A191-P193 WeakPolarHBondContact O-CD 3.39Å; P193-F195 PolarHBondContact O-N 3.45Å
194P71.9Confident70.9Confident85 Ų85116.6 Ų116.655%0.55262%0.622SS**  trans-56.8127.5179.723.3-33.6000110.4Y186 K196Y186-P194 VanDerWaalsContact CE1-CA 3.5Å; Y186-P194 HydrophobicContact CE1-CB 4.43Å; P194-K196 PolarHBondContact O-N 3.4Å
195F68.7Low70.8Confident158 Ų158118.6 Ų118.669%0.69363%0.63SS**  trans-59.5102.6178.9-179.5-101.8000109.9Y186 P193 T197Y186-F195 PolarHBondContact OH-N 3Å; Y186-F195 VanDerWaalsContact OH-N 3.12Å; P193-F195 PolarHBondContact O-N 3.45Å; F195-T197 VanDerWaalsContact C-N 3.3Å; F195-T197 HydrophobicContact CD1-CG2 3.87Å; F195-T197 HydrophobicContact CE1-CG2 3.74Å; F195-T197 PolarHBondContact O-N 3.12Å
196K71.6Confident70.9Confident181 Ų181121.3 Ų121.379%0.78764%0.635SS**  trans-69.991.4172.4-66.3179.1-176.5175.80107.7P194 N198P194-K196 PolarHBondContact O-N 3.4Å; K196-N198 PolarHBondContact O-N 3.34Å
197T67.9Low71Confident106 Ų106125.2 Ų125.265%0.6565%0.653SS**  trans-51.4107.3155.846.50000106.7F195 P199F195-T197 VanDerWaalsContact C-N 3.3Å; F195-T197 HydrophobicContact CD1-CG2 3.87Å; F195-T197 HydrophobicContact CE1-CG2 3.74Å; F195-T197 PolarHBondContact O-N 3.12Å; T197-P199 WeakPolarHBondContact O-CD 3.32Å; T197-P199 VanDerWaalsContact O-N 3.15Å
198N61.8Low71.1Confident140 Ų140130 Ų13075%0.74966%0.659SS**  trans-52125.8167.8-91.7-36000106.5K196 V200K196-N198 PolarHBondContact O-N 3.34Å; N198-V200 PolarHBondContact O-N 2.95Å
199P67.8Low71.2Confident108 Ų108129.5 Ų129.570%0.70167%0.665SS**  trans-68.888.5177.327.9-32.9000107.4T197 I201T197-P199 WeakPolarHBondContact O-CD 3.32Å; T197-P199 VanDerWaalsContact O-N 3.15Å; P199-I201 VanDerWaalsContact C-N 3.26Å; P199-I201 WeakPolarHBondContact O-CG1 3.49Å; P199-I201 PolarHBondContact O-N 2.83Å
200V62.6Low71Confident115 Ų115131.2 Ų131.270%0.69767%0.668SS**  trans-62.197.8167.4177.40000105N198 M202N198-V200 PolarHBondContact O-N 2.95Å; V200-M202 VanDerWaalsContact C-N 3.33Å; V200-M202 PolarHBondContact O-N 2.89Å
201I66.1Low71.1Confident135 Ų135128.9 Ų128.969%0.69267%0.665SS**  trans-66101.2-179.3-50.8-177.8000105.8P199 E203P199-I201 VanDerWaalsContact C-N 3.26Å; P199-I201 WeakPolarHBondContact O-CG1 3.49Å; P199-I201 PolarHBondContact O-N 2.83Å; I201-E203 HydrophobicContact CB-CG 4.4Å; I201-E203 HydrophobicContact CG2-CG 3.68Å; I201-E203 PolarHBondContact O-N 3.16Å
202M68.9Low70.6Confident174 Ų174126.2 Ų126.286%0.85765%0.647SS**  trans-71.664.3177.2-75.1-71.4-72.500109.5V200 S204V200-M202 VanDerWaalsContact C-N 3.33Å; V200-M202 PolarHBondContact O-N 2.89Å; M202-S204 PolarHBondContact O-N 3.45Å
203E73.4Confident70.4Confident111 Ų111127.6 Ų127.652%0.51966%0.663SS.*  trans-64.4107.5171.9-64.1-162150.500108.7I201 R208I201-E203 HydrophobicContact CB-CG 4.4Å; I201-E203 HydrophobicContact CG2-CG 3.68Å; I201-E203 PolarHBondContact O-N 3.16Å; E203-R208 HydrophobicContact CB-CG 4.03Å; E203-R208 WeakPolarHBondContact OE2-CG 3.4Å
204S81.3Confident69.9Low65 Ų65128.5 Ų128.546%0.45567%0.669SS.*  trans-57.4150.7170.563.50000110.2M202 Y206 K207 R208M202-S204 PolarHBondContact O-N 3.45Å; S204-Y206 PolarHBondContact O-N 3.16Å; S204-K207 PolarHBondContact O-N 3.22Å; S204-R208 PolarHBondContact O-N 2.93Å
205E75.2Confident69.3Low163 Ų163132.1 Ų132.176%0.76268%0.683SS**Hα-helixtrans-54.8-29.6178.9-60.2-175.2157.800111.8R208 S209E205-R208 PolarHBondContact O-N 3.46Å; E205-S209 WeakPolarHBondContact O-CB 3.35Å; E205-S209 PolarHBondContact O-N 3.22Å; E205-S209 PolarHBondContact O-OG 2.93Å
206Y76.1Confident68.8Low151 Ų151130.4 Ų130.459%0.59269%0.687SS**Hα-helixtrans-59.8-46170.6-174.6-98000113.1S204 R208 S209 F210S204-Y206 PolarHBondContact O-N 3.16Å; Y206-R208 PolarHBondContact O-N 3.16Å; Y206-S209 PolarHBondContact O-N 3.43Å; Y206-F210 HydrophobicContact CD2-CB 4.35Å; Y206-F210 HydrophobicContact CE1-CB 4.46Å; Y206-F210 HydrophobicContact CE1-CD1 4.24Å; Y206-F210 HydrophobicContact CE2-CB 4.12Å; Y206-F210 HydrophobicContact CE2-CD1 4.45Å; Y206-F210 HydrophobicContact CE2-CG 4.28Å; Y206-F210 AromaticContact CZ-CD1 3.84Å; Y206-F210 WeakPolarHBondContact O-CA 3.49Å; Y206-F210 VanDerWaalsContact O-CB 3.23Å; Y206-F210 WeakPolarHBondContact O-CB 3.48Å; Y206-F210 PolarHBondContact O-N 3.43Å
207K73.4Confident68.4Low145 Ų145131.7 Ų131.763%0.6369%0.688SS**Hα-helixtrans-66.8-36177.9-72.3-69-173.8176.80112.8S204S204-K207 PolarHBondContact O-N 3.22Å
208R75.9Confident68.2Low180 Ų180131.7 Ų131.768%0.67969%0.689SS**Hα-helixtrans-73.2-35.6175.9-77.1175.357-172.5-2.9113.5E203 S204 E205 Y206E203-R208 HydrophobicContact CB-CG 4.03Å; E203-R208 WeakPolarHBondContact OE2-CG 3.4Å; S204-R208 PolarHBondContact O-N 2.93Å; E205-R208 PolarHBondContact O-N 3.46Å; Y206-R208 PolarHBondContact O-N 3.16Å
209S75.7Confident67.7Low103 Ų103131 Ų13172%0.7269%0.693SS**Hα-helixtrans-90.9-33.5-175.2-49.80000113E205 Y206E205-S209 WeakPolarHBondContact O-CB 3.35Å; E205-S209 PolarHBondContact O-N 3.22Å; E205-S209 PolarHBondContact O-OG 2.93Å; Y206-S209 PolarHBondContact O-N 3.43Å
210F64.1Low67.1Low117 Ų117136 Ų13651%0.51370%0.697SS.*  trans-105.777.8-178.9-165.8-102.8000110.8Y206 G212Y206-F210 HydrophobicContact CD2-CB 4.35Å; Y206-F210 HydrophobicContact CE1-CB 4.46Å; Y206-F210 HydrophobicContact CE1-CD1 4.24Å; Y206-F210 HydrophobicContact CE2-CB 4.12Å; Y206-F210 HydrophobicContact CE2-CD1 4.45Å; Y206-F210 HydrophobicContact CE2-CG 4.28Å; Y206-F210 AromaticContact CZ-CD1 3.84Å; Y206-F210 WeakPolarHBondContact O-CA 3.49Å; Y206-F210 VanDerWaalsContact O-CB 3.23Å; Y206-F210 WeakPolarHBondContact O-CB 3.48Å; Y206-F210 PolarHBondContact O-N 3.43Å; F210-G212 VanDerWaalsContact C-N 3.28Å; F210-G212 PolarHBondContact O-N 2.92Å
211K73.1Confident66.5Low192 Ų192138.3 Ų138.384%0.83571%0.705SS**  trans-68.494.4154.8-67-174-179.2-176.20107.1
212G65.8Low65.3Low43 Ų43143 Ų14344%0.44371%0.714SS.*PPolyproline II helixtrans-53.3147.8177.300000111.1F210F210-G212 VanDerWaalsContact C-N 3.28Å; F210-G212 PolarHBondContact O-N 2.92Å
213S64.5Low64.2Low105 Ų105146 Ų14673%0.73472%0.716SS**PPolyproline II helixtrans-54.3145.4175.340.30000110.6L215S213-L215 PolarHBondContact O-N 3.16Å
214P62.1Low62.5Low121 Ų121147.7 Ų147.779%0.78673%0.728SS**PPolyproline II helixtrans-56.8139.9176.825.2-34.2000109.7
215L59.8Low60.7Low161 Ų161150.3 Ų150.384%0.84374%0.741SS**PPolyproline II helixtrans-51.9136.1179.1-68.1171.7000109.9S213 R217S213-L215 PolarHBondContact O-N 3.16Å; L215-R217 PolarHBondContact O-N 2.97Å
216P57.5Low59.3Low122 Ų122151.2 Ų151.279%0.79275%0.745SS**PPolyproline II helixtrans-57.6129.717924.4-33.3000109.2
217R63.4Low57.5Low209 Ų209151.4 Ų151.479%0.78975%0.752SS**PPolyproline II helixtrans-56.5137.1177.7-75.1178.6171.4167.2-3109L215L215-R217 PolarHBondContact O-N 2.97Å
218P63.3Low55.9Low106 Ų106154.6 Ų154.669%0.68876%0.761SS**PPolyproline II helixtrans-60.4150.5-179.925.9-34.7000110.8R220P218-R220 PolarHBondContact O-N 3.37Å; P218-R220 VanDerWaalsContact O-N 3.08Å
219P51.7Low54.1Low126 Ų126155 Ų15582%0.81877%0.771SS**PPolyproline II helixtrans-56.6117.3177.1-23.734000110.6L221P219-L221 PolarHBondContact O-N 3.29Å
220R56Low52.3Low212 Ų212156.5 Ų156.580%0.878%0.775SS**PPolyproline II helixtrans-77.5120.8169.8-70.1176.7172.2172-7.8107.5P218 R222P218-R220 PolarHBondContact O-N 3.37Å; P218-R220 VanDerWaalsContact O-N 3.08Å; R220-R222 PolarHBondContact O-N 2.92Å
221L49.5Very low51.4Low163 Ų163156.4 Ų156.485%0.85379%0.787SS**PPolyproline II helixtrans-58.3137.3164.3-85.677.5000108.2P219P219-L221 PolarHBondContact O-N 3.29Å
222R40.7Very low49.4Very low234 Ų234154.3 Ų154.388%0.88378%0.779SS**PPolyproline II helixtrans-69.7140.6162-73.3177.9167.3145.8-5.2108.1R220R220-R222 PolarHBondContact O-N 2.92Å
223R45.2Very low47.7Very low238 Ų238159.9 Ų159.990%0.89879%0.792SS**  trans-113.2165.6147.6-70.2-168.1-175.9122.1-1.7107
224D38.5Very low46.2Very low146 Ų146162 Ų16278%0.78179%0.794SS**  trans-93.5165.3-147.3-55.1-80.7000114.8
225V43.8Very low44.7Very low119 Ų119163.4 Ų163.472%0.72180%0.801SS**  trans6114.1158.4-174.70000118.3
226E44.6Very low43.2Very low183 Ų183164.2 Ų164.286%0.85580%0.8SS**  trans-155.6100.6137.9-104.6156.9-145.900105.3
227Q39.4Very low41.9Very low154 Ų154162.1 Ų162.172%0.7279%0.789SS**  82.2121.586.5-78.2-164.723.200114.2
228Y39.8Very low40.3Very low213 Ų213161.4 Ų161.484%0.83579%0.791SS**  trans27.2112.6163.7-60.9-85.6000120.6
229E37.2Very low38.9Very low189 Ų189162.4 Ų162.488%0.88380%0.795SS**  -168.8156.6111-106.4173.7-16000112.2
230V38.9Very low38.6Very low134 Ų134162.7 Ų162.781%0.81280%0.797SS**  trans-141.2118.7174.1172.20000107.2
231P43.7Very low37.2Very low115 Ų115161.6 Ų161.675%0.74780%0.801SS**  -126.9153.7108.23.218.5000111.7
232E31.5Very low36.4Very low147 Ų147162.9 Ų162.969%0.68780%0.8SS**  cis104.3137.727.1-148.6-175.2-14400113.9
233F30.6Very low36.1Very low160 Ų160157.7 Ų157.770%0.70280%0.8SS**  trans59.2118.9172.5-62.8-54.5000124.1
234L32Very low35.5Very low151 Ų151156.4 Ų156.479%0.79180%0.8SS**  25.8123.7125-66.6168.4000119.6
235T32.2Very low35.4Very low150 Ų150161.7 Ų161.792%0.9281%0.809SS**  -152.5144.7121-1.90000111.8
236E28.4Very low34.8Very low178 Ų178165.9 Ų165.983%0.83282%0.818SS**  trans-102.2144.1179-173.5-174-15900110.3
237S29.1Very low34.4Very low78 Ų78166.4 Ų166.455%0.54582%0.817SS.*  143150.8122.670.60000118.4
238K30.7Very low34Very low194 Ų194169.4 Ų169.484%0.84383%0.828SS**  trans81.3151.3148.5-71.7149.1-161.8150.90121.2
239T32.6Very low33.4Very low126 Ų126166.8 Ų166.877%0.77382%0.821SS**  trans-107.1153.4-170.650.80000112.1
240P45.3Very low33.2Very low132 Ų132167.9 Ų167.986%0.85782%0.823SS**  trans-75.7138.517231.3-34.1000112.7
241E27.3Very low32.7Very low189 Ų189168.7 Ų168.788%0.88382%0.818SS**  trans-99.3179.3179.2-142.2-156.5135.900113.3
242K33.8Very low32.2Very low191 Ų191173 Ų17383%0.8382%0.819SS**PPolyproline II helixtrans-95.3121.2-171.4-62.8167.8-176165.50112.5
243S34.3Very low32.6Very low125 Ų125172 Ų17287%0.87483%0.825SS**PPolyproline II helixtrans-88.5140170.162.40000112.9
244K32.4Very low32.5Very low211 Ų211171.6 Ų171.692%0.91783%0.825SS**PPolyproline II helixtrans-103.7148.1175.2-63.2168.7-175.81640109.6
245R35.4Very low32.2Very low257 Ų257169.4 Ų169.497%0.9782%0.822SS**  trans-136.9133.8170.8-145.6169-176.5173.20.2110.9
246K32.3Very low32.3Very low206 Ų206173.4 Ų173.490%0.89682%0.821SS**  trans-113.3125.1-173.7-96.9-177.3175.7176.90112.6
247K34.9Very low32.3Very low195 Ų195174.5 Ų174.585%0.84882%0.823SS**  42.7120.9128.6-159.3179.3-169.9-179.50119.9
248K31Very low32.4Very low217 Ų217176.3 Ų176.394%0.94384%0.835SS**  trans-133.8169.1139.5-88.6-159.4176.7-175.30110.8
249K28.6Very low32.2Very low157 Ų157172.5 Ų172.568%0.68383%0.833SS**  trans-124.8147-164.4170.6-163.3170.6-156.80110.1E251K249-E251 WeakPolarHBondContact CE-OE1 3.17Å; K249-E251 IonicContact NZ-OE1 2.82Å; K249-E251 PolarHBondContact NZ-OE1 3Å
250K31Very low32.9Very low212 Ų212170.9 Ų170.992%0.92283%0.825SS**  trans-145.6170.5155.3-126.3-179.2-179.9-174.50109.9
251E29.2Very low32.1Very low152 Ų152172.2 Ų172.271%0.7182%0.82SS**  trans-121.2-174.6-149.7-67.9177132.100115.9K249K249-E251 WeakPolarHBondContact CE-OE1 3.17Å; K249-E251 IonicContact NZ-OE1 2.82Å; K249-E251 PolarHBondContact NZ-OE1 3Å
252R33.8Very low32.3Very low204 Ų204170 Ų17077%0.7781%0.81SS**  trans-87.9173-169.5-60.7175.9166.9179.9-5.4113.3
253P38.9Very low32.1Very low126 Ų126167.9 Ų167.982%0.81880%0.802SS**  -12715785.710.211.9000112.4
254H28.9Very low31.9Very low153 Ų153168.3 Ų168.371%0.70880%0.799SS**  cis102.3105.831.1-93.6-77.7000116.2
255S26.7Very low31.9Very low104 Ų104161.9 Ų161.973%0.72779%0.786SS**  trans-161.9127.9141.167.70000108.4
256R34.3Very low31.7Very low235 Ų235160.6 Ų160.689%0.88778%0.783SS**  64.7126.790.6-66.4179.7174.4178.3-2.4112.5
257K28.5Very low31.9Very low200 Ų200158.9 Ų158.987%0.8778%0.782SS**  cis-144.6173.823.1-76.8142.3177.1-177.30109.5
258S30.3Very low31.8Very low116 Ų116158 Ų15881%0.81178%0.781SS**  cis-162.5162.2-10.236.70000110.2
259S27.5Very low32Very low114 Ų114155.4 Ų155.480%0.79777%0.772SS**  trans-87.8-171.7165.3-110.40000110.7
260P46.1Very low32Very low93 Ų93156.1 Ų156.160%0.60478%0.778SS**  cis-124.5-159.411.540.7-19.8000113
261E29.2Very low31.9Very low159 Ų159153 Ų15374%0.74377%0.767SS**  cis-156.2-174.514.8-148.5118.5-110.400113.8
262Q30.3Very low32.1Very low144 Ų144152.6 Ų152.667%0.67378%0.775SS**  trans-38.5170.4175.6-78.9155.9-75.200119.3
263E31Very low32Very low145 Ų145150.4 Ų150.468%0.67877%0.771SS**  cis-150.7148.27.6-119.1152.8-161.500109.1
264V30.4Very low31.7Very low134 Ų134149.6 Ų149.681%0.81277%0.768SS**  47.4125.890.1-167.60000114.4
265A31.9Very low32.1Very low77 Ų77148.6 Ų148.664%0.63678%0.775SS**  cis-120.3-127.5-2.500000110.4
266Y31.9Very low32.3Very low230 Ų230150.4 Ų150.490%0.90277%0.772SS**  cis-145.1-177.6-2.1-118-50.7000109.2
267L35.2Very low32.1Very low170 Ų170146.7 Ų146.789%0.8977%0.769SS**  trans-115.3129.1177.7-77.5170.2000111.9
268Q33.3Very low32.8Very low176 Ų176143.6 Ų143.682%0.82276%0.762SS**  trans-144.6142.8148.8-155.2161.317.600111.7
269Q34.1Very low33Very low162 Ų162147.3 Ų147.376%0.75776%0.763SS**  trans-31.6157.6171.6-67.9154.2-2.400116.4
270Q30.3Very low33.4Very low172 Ų172148.9 Ų148.980%0.80476%0.763SS**  cis177.1114.6-9.3163.4-174.7-19.600107.6
271E27.9Very low33.1Very low147 Ų147150.3 Ų150.369%0.68777%0.772SS**  trans-165.4147.8151.4-132.3-166.3157.100112.6K273E271-K273 IonicContact OE1-NZ 3.37Å; E271-K273 PolarHBondContact OE1-NZ 3.5Å; E271-K273 VanDerWaalsContact OE1-NZ 3.16Å; E271-K273 WeakPolarHBondContact OE2-CE 3.44Å; E271-K273 IonicContact OE2-NZ 3.22Å; E271-K273 PolarHBondContact OE2-NZ 2.98Å
272V33.8Very low33.8Very low144 Ų144147.2 Ų147.287%0.87377%0.768SS**  trans-95.9102.7179179.20000110
273K31Very low34.5Very low158 Ų158146 Ų14669%0.68777%0.772SS**  trans-125124.4168.9-78.4166.9179.9151.90110E271E271-K273 IonicContact OE1-NZ 3.37Å; E271-K273 PolarHBondContact OE1-NZ 3.5Å; E271-K273 VanDerWaalsContact OE1-NZ 3.16Å; E271-K273 WeakPolarHBondContact OE2-CE 3.44Å; E271-K273 IonicContact OE2-NZ 3.22Å; E271-K273 PolarHBondContact OE2-NZ 2.98Å
274S33.8Very low35.2Very low109 Ų109148.5 Ų148.576%0.76278%0.781SS**  trans-81.1138.2-161.448.80000113.9H276S274-H276 PolarHBondContact O-N 2.96Å; S274-H276 VanDerWaalsContact O-N 3.17Å
275P36.1Very low36.1Very low132 Ų132148.2 Ų148.286%0.85778%0.779SS**  trans-86.884.9-179.234.3-34.6000111.6
276H31.2Very low37Very low142 Ų142152.6 Ų152.666%0.65779%0.789SS**  trans-143.579.1168-156.5-82.8000114.9S274S274-H276 PolarHBondContact O-N 2.96Å; S274-H276 VanDerWaalsContact O-N 3.17Å
277N31.3Very low38.4Very low156 Ų156153.1 Ų153.183%0.83479%0.789SS**  trans-124.768.1160.6-104.8-74.4000110.2K279N277-K279 PolarHBondContact O-N 3.01Å; N277-K279 VanDerWaalsContact O-N 3.08Å
278L42.5Very low39.8Very low135 Ų135152.8 Ų152.871%0.70778%0.781SS**  trans-61.5106.9156.7-74.6177.8000107.4D280L278-D280 PolarHBondContact O-N 3.32Å; L278-D280 VanDerWaalsContact O-N 3.16Å
279K34.7Very low41.1Very low195 Ų195146.8 Ų146.885%0.84877%0.765SS**  trans-64114.9174.4-70.6177.2177.71750108.6N277N277-K279 PolarHBondContact O-N 3.01Å; N277-K279 VanDerWaalsContact O-N 3.08Å
280D34.8Very low42.5Very low147 Ų147148.8 Ų148.879%0.78677%0.772SS**  trans-53.8137.2172.8-81-51.5000110.5L278 S282L278-D280 PolarHBondContact O-N 3.32Å; L278-D280 VanDerWaalsContact O-N 3.16Å; D280-S282 VanDerWaalsContact C-N 3.33Å; D280-S282 PolarHBondContact O-N 3.34Å
281P40.7Very low44.8Very low122 Ų122144.1 Ų144.179%0.79276%0.755SS**  trans-70.293.9175.129.6-33.2000108.5
282S43Very low47Very low95 Ų95144.5 Ų144.566%0.66476%0.757SS**  trans-49.8137.4175.359.90000109.9D280 K284D280-S282 VanDerWaalsContact C-N 3.33Å; D280-S282 PolarHBondContact O-N 3.34Å; S282-K284 PolarHBondContact O-N 3.09Å
283P44.7Very low49.1Very low118 Ų118145.3 Ų145.377%0.76675%0.745SS**  trans-59.3114.7-17623.7-33.1000107.6V285P283-V285 VanDerWaalsContact C-N 3.34Å; P283-V285 PolarHBondContact O-N 2.78Å
284K46.7Very low51Low198 Ų198145.1 Ų145.186%0.86174%0.74SS**  trans-55.6100.6-179.2-74.9180179.7174.70107.9S282 M286S282-K284 PolarHBondContact O-N 3.09Å; K284-M286 VanDerWaalsContact C-N 3.3Å; K284-M286 PolarHBondContact O-N 3.25Å
285V48.3Very low52.7Low127 Ų127142.8 Ų142.877%0.7772%0.724SS**  trans-57.5102.8168.4176.50000104.8P283 R287P283-V285 VanDerWaalsContact C-N 3.34Å; P283-V285 PolarHBondContact O-N 2.78Å; V285-R287 PolarHBondContact O-N 3.37Å
286M52.2Low54.4Low170 Ų170141.1 Ų141.184%0.83771%0.708SS**  trans-54.7112.4-179.6-71-179.569.400106.1K284 K288K284-M286 VanDerWaalsContact C-N 3.3Å; K284-M286 PolarHBondContact O-N 3.25Å; M286-K288 PolarHBondContact O-N 3.21Å
287R60.4Low56.4Low240 Ų240140.7 Ų140.791%0.90670%0.704SS**  trans-48.4112-178.8-79.7180169.8171.6-4.3106.2V285 G289V285-R287 PolarHBondContact O-N 3.37Å; R287-G289 PolarHBondContact O-N 2.69Å
288K65.6Low58.6Low164 Ų164136.5 Ų136.571%0.71368%0.68SS**  trans-46.5111.1-168.7-75.3172.4178.6166.90107.7M286 K290M286-K288 PolarHBondContact O-N 3.21Å; K288-K290 PolarHBondContact O-N 3.3Å
289G60.7Low60.2Low49 Ų49132.8 Ų132.851%0.50567%0.665SS.*  trans-52.5129.6-174.400000108.5R287 T291R287-G289 PolarHBondContact O-N 2.69Å; G289-T291 PolarHBondContact O-N 3.1Å
290K63.5Low62.3Low205 Ų205128.2 Ų128.289%0.89166%0.655SS**  trans-70.274.5168.6-68.7-172.7-180-1760107K288K288-K290 PolarHBondContact O-N 3.3Å
291T77.6Confident64.2Low74 Ų74125.8 Ų125.845%0.45464%0.642SS.*  trans-63142.9169570000107.6G289 Y293 R294 S295G289-T291 PolarHBondContact O-N 3.1Å; T291-Y293 PolarHBondContact O-N 3.02Å; T291-Y293 VanDerWaalsContact O-N 3.14Å; T291-R294 WeakPolarHBondContact O-CA 3.33Å; T291-R294 PolarHBondContact O-N 3.34Å; T291-R294 WeakPolarHBondContact OG1-CG 3.3Å; T291-S295 PolarHBondContact O-N 3.3Å
292E74.8Confident66Low154 Ų154123.6 Ų123.672%0.7262%0.621SS**Hα-helixtrans-54.7-34.5177.8-67.8158.3-159.300111R294 S295 N296E292-R294 VanDerWaalsContact C-N 3.27Å; E292-R294 PolarHBondContact O-N 3.06Å; E292-S295 WeakPolarHBondContact CA-OG 3.26Å; E292-S295 PolarHBondContact O-N 2.99Å; E292-S295 VanDerWaalsContact O-N 3.17Å; E292-S295 PolarHBondContact O-OG 3.41Å; E292-N296 WeakPolarHBondContact O-CB 3.23Å; E292-N296 PolarHBondContact O-N 2.94Å; E292-N296 PolarHBondContact O-ND2 3.36Å; E292-N296 PolarHBondContact O-OD1 2.99Å
293Y78.3Confident68Low162 Ų162121.8 Ų121.864%0.63560%0.6SS**Hα-helixtrans-53.5-41.6171-169-91.9000113T291 F297T291-Y293 PolarHBondContact O-N 3.02Å; T291-Y293 VanDerWaalsContact O-N 3.14Å; Y293-F297 AromaticContact CD2-CD2 3.41Å; Y293-F297 HydrophobicContact CD2-CD2 3.41Å; Y293-F297 VanDerWaalsContact CD2-CD2 3.41Å; Y293-F297 AromaticContact CD2-CE2 3.75Å; Y293-F297 HydrophobicContact CD2-CE2 3.75Å; Y293-F297 HydrophobicContact CD2-CG 4.19Å; Y293-F297 HydrophobicContact CE1-CB 4.24Å; Y293-F297 HydrophobicContact CE2-CB 4.37Å; Y293-F297 AromaticContact CE2-CD2 3.55Å; Y293-F297 HydrophobicContact CE2-CD2 3.55Å; Y293-F297 AromaticContact CE2-CE2 3.92Å; Y293-F297 HydrophobicContact CE2-CE2 3.92Å; Y293-F297 AromaticContact CE2-CG 3.9Å; Y293-F297 HydrophobicContact CE2-CG 3.9Å; Y293-F297 AromaticContact CG-CD2 3.95Å; Y293-F297 HydrophobicContact CG-CD2 3.95Å; Y293-F297 WeakPolarHBondContact O-CA 3.39Å; Y293-F297 WeakPolarHBondContact O-CB 3.49Å; Y293-F297 WeakPolarHBondContact O-CD2 3.29Å; Y293-F297 PolarHBondContact O-N 3.47Å
294R69.4Low69.8Low154 Ų154117.1 Ų117.158%0.58157%0.57SS**Hα-helixtrans-83.9-14.4-179.4-66.417872.7121.617.9114.5T291 E292T291-R294 WeakPolarHBondContact O-CA 3.33Å; T291-R294 PolarHBondContact O-N 3.34Å; T291-R294 WeakPolarHBondContact OG1-CG 3.3Å; E292-R294 VanDerWaalsContact C-N 3.27Å; E292-R294 PolarHBondContact O-N 3.06Å
295S69.1Low71.5Confident60 Ų60114.5 Ų114.542%0.4256%0.555SS.*Hα-helixtrans-90.3-22.4169.356.90000112.7T291 E292 H298T291-S295 PolarHBondContact O-N 3.3Å; E292-S295 WeakPolarHBondContact CA-OG 3.26Å; E292-S295 PolarHBondContact O-N 2.99Å; E292-S295 VanDerWaalsContact O-N 3.17Å; E292-S295 PolarHBondContact O-OG 3.41Å; S295-H298 PolarHBondContact O-CE1 3.19Å
296N73.6Confident73.2Confident97 Ų97113.7 Ų113.752%0.51954%0.542SS..Hα-helixtrans-102.1-47.5-173.3-57.32.3000110.3E292 H298 Y303E292-N296 WeakPolarHBondContact O-CB 3.23Å; E292-N296 PolarHBondContact O-N 2.94Å; E292-N296 PolarHBondContact O-ND2 3.36Å; E292-N296 PolarHBondContact O-OD1 2.99Å; N296-H298 PolarHBondContact O-N 2.89Å; N296-H298 PolarHBondContact O-ND1 2.72Å; N296-Y303 PolarHBondContact O-OH 3.01Å
297F72.9Confident74.1Confident133 Ų133113.5 Ų113.558%0.58354%0.544SS*.  trans-92.592.4177.7-57.5-89.5000110.6Y293Y293-F297 AromaticContact CD2-CD2 3.41Å; Y293-F297 HydrophobicContact CD2-CD2 3.41Å; Y293-F297 VanDerWaalsContact CD2-CD2 3.41Å; Y293-F297 AromaticContact CD2-CE2 3.75Å; Y293-F297 HydrophobicContact CD2-CE2 3.75Å; Y293-F297 HydrophobicContact CD2-CG 4.19Å; Y293-F297 HydrophobicContact CE1-CB 4.24Å; Y293-F297 HydrophobicContact CE2-CB 4.37Å; Y293-F297 AromaticContact CE2-CD2 3.55Å; Y293-F297 HydrophobicContact CE2-CD2 3.55Å; Y293-F297 AromaticContact CE2-CE2 3.92Å; Y293-F297 HydrophobicContact CE2-CE2 3.92Å; Y293-F297 AromaticContact CE2-CG 3.9Å; Y293-F297 HydrophobicContact CE2-CG 3.9Å; Y293-F297 AromaticContact CG-CD2 3.95Å; Y293-F297 HydrophobicContact CG-CD2 3.95Å; Y293-F297 WeakPolarHBondContact O-CA 3.39Å; Y293-F297 WeakPolarHBondContact O-CB 3.49Å; Y293-F297 WeakPolarHBondContact O-CD2 3.29Å; Y293-F297 PolarHBondContact O-N 3.47Å
298H77.1Confident75.1Confident68 Ų68104.8 Ų104.832%0.31553%0.529SS..  trans-79.9173.9170.3-64.877.7000110.9S295 N296 Q302 Y303S295-H298 PolarHBondContact O-CE1 3.19Å; N296-H298 PolarHBondContact O-N 2.89Å; N296-H298 PolarHBondContact O-ND1 2.72Å; H298-Q302 HydrophobicContact CB-CB 4.36Å; H298-Q302 HydrophobicContact CB-CG 4.49Å; H298-Q302 PolarHBondContact CD2-OE1 3.36Å; H298-Y303 HydrophobicContact CB-CE2 4.03Å
299S76.9Confident75.8Confident56 Ų5699.1 Ų99.139%0.39251%0.513SS..  trans-63.7145172.946.30000111L301 Q302S299-L301 PolarHBondContact O-N 2.82Å; S299-Q302 PolarHBondContact O-N 3.25Å
300P77.8Confident76.7Confident99 Ų99104.6 Ų104.664%0.64352%0.518SS*.G310 helixtrans-54.9-27.9178-29.236.5000114.1Q302 Y303P300-Q302 PolarHBondContact O-N 3.24Å; P300-Y303 PolarHBondContact O-N 3.5Å
301L74.5Confident77.6Confident97 Ų9799.1 Ų99.151%0.50850%0.498SS..G310 helixtrans-60.8-8.4173.6-57175.8000114.7S299 Y328S299-L301 PolarHBondContact O-N 2.82Å; L301-Y328 HydrophobicContact CD2-CD2 4.28Å; L301-Y328 HydrophobicContact CD2-CE2 4.25Å
302Q79.4Confident77.8Confident76 Ų76100.8 Ų100.836%0.35550%0.499SS..G310 helixtrans-97.36.1173.5-60.1-167.35.200113.2H298 S299 P300 K312 I313H298-Q302 HydrophobicContact CB-CB 4.36Å; H298-Q302 HydrophobicContact CB-CG 4.49Å; H298-Q302 PolarHBondContact CD2-OE1 3.36Å; S299-Q302 PolarHBondContact O-N 3.25Å; P300-Q302 PolarHBondContact O-N 3.24Å; Q302-K312 WeakPolarHBondContact O-CA 3.16Å; Q302-I313 PolarHBondContact O-N 3.23Å
303Y83.9Confident77.8Confident57 Ų5796.9 Ų96.922%0.22448%0.482CS..EExtended strand (participates in β ladder)trans-129.4138.5177.8-57.7-97.9000110.3N296 H298 P300 L311 K312N296-Y303 PolarHBondContact O-OH 3.01Å; H298-Y303 HydrophobicContact CB-CE2 4.03Å; P300-Y303 PolarHBondContact O-N 3.5Å; Y303-L311 CarbonylContact C-O 3.55Å; Y303-L311 WeakPolarHBondContact CA-O 3.49Å; Y303-K312 HydrophobicContact CD1-CB 4.04Å; Y303-K312 HydrophobicContact CE1-CB 3.99Å; Y303-K312 HydrophobicContact CE1-CG 4.41Å
304S83.6Confident77.2Confident19 Ų1998.1 Ų98.113%0.13349%0.491CS..EExtended strand (participates in β ladder)trans-108.5144.9168.652.80000109.1L311S304-L311 PolarHBondContact N-O 3.01Å; S304-L311 PolarHBondContact O-N 2.99Å
305Y81.4Confident76.5Confident143 Ų14396.5 Ų96.556%0.56150%0.504SS*.EExtended strand (participates in β ladder)trans-95.4115.8175.5-174.2-103.5000108.8A309 W310Y305-A309 WeakPolarHBondContact CA-O 3.26Å; Y305-W310 AromaticContact CD2-CD1 3.96Å; Y305-W310 AromaticContact CD2-CD2 4Å; Y305-W310 HydrophobicContact CD2-CD2 4Å; Y305-W310 AromaticContact CD2-CE2 3.77Å; Y305-W310 HydrophobicContact CD2-CG 4.14Å; Y305-W310 HydrophobicContact CD2-CZ2 4.27Å; Y305-W310 AromaticContact CD2-NE1 3.72Å
306K84.1Confident75.4Confident110 Ų11097.6 Ų97.648%0.47852%0.516SS..EExtended strand (participates in β ladder)trans-138.5142.4173.3-69.4-164.8174.6-170.30108.9G308 A309 L311K306-G308 PolarHBondContact O-N 2.96Å; K306-G308 VanDerWaalsContact O-N 3.1Å; K306-A309 PolarHBondContact N-O 3.21Å; K306-A309 PolarHBondContact O-N 3.08Å; K306-L311 HydrophobicContact CB-CD1 4.27Å
307D70.4Confident74.2Confident166 Ų166101.9 Ų101.989%0.88853%0.53SS*.THydrogen-bonded Turntrans5238.9170.2-44.8-41.3000114.7A309D307-A309 VanDerWaalsContact C-N 3.3Å; D307-A309 PolarHBondContact O-N 3.06Å
308G82.3Confident73.5Confident57 Ų57103.8 Ų103.859%0.58854%0.541SS*.THydrogen-bonded Turntrans81.9-2.2-179.600000115.4K306K306-G308 PolarHBondContact O-N 2.96Å; K306-G308 VanDerWaalsContact O-N 3.1Å
309A80.1Confident72.4Confident45 Ų45110 Ų11037%0.37257%0.57SS.*EExtended strand (participates in β ladder)trans-121148.5-174.200000113.3Y305 K306 D307 L311Y305-A309 WeakPolarHBondContact CA-O 3.26Å; K306-A309 PolarHBondContact N-O 3.21Å; K306-A309 PolarHBondContact O-N 3.08Å; D307-A309 VanDerWaalsContact C-N 3.3Å; D307-A309 PolarHBondContact O-N 3.06Å; A309-L311 HydrophobicContact CB-CD2 4.47Å; A309-L311 PolarHBondContact O-N 2.87Å
310W80.8Confident71.3Confident165 Ų165109.9 Ų109.963%0.62558%0.578SS**EExtended strand (participates in β ladder)trans-8896.7169.2-72.895.3000109.9Y305Y305-W310 AromaticContact CD2-CD1 3.96Å; Y305-W310 AromaticContact CD2-CD2 4Å; Y305-W310 HydrophobicContact CD2-CD2 4Å; Y305-W310 AromaticContact CD2-CE2 3.77Å; Y305-W310 HydrophobicContact CD2-CG 4.14Å; Y305-W310 HydrophobicContact CD2-CZ2 4.27Å; Y305-W310 AromaticContact CD2-NE1 3.72Å
311L82.1Confident70.1Confident89 Ų89108.2 Ų108.247%0.46657%0.568SS.*EExtended strand (participates in β ladder)trans-83.9132176.8-61179.2000109.6Y303 S304 K306 A309 I313Y303-L311 CarbonylContact C-O 3.55Å; Y303-L311 WeakPolarHBondContact CA-O 3.49Å; S304-L311 PolarHBondContact N-O 3.01Å; S304-L311 PolarHBondContact O-N 2.99Å; K306-L311 HydrophobicContact CB-CD1 4.27Å; A309-L311 HydrophobicContact CB-CD2 4.47Å; A309-L311 PolarHBondContact O-N 2.87Å; L311-I313 PolarHBondContact O-N 3.46Å
312K80.4Confident69.3Low109 Ų109108.8 Ų108.847%0.47457%0.571SS.*EExtended strand (participates in β ladder)trans-66.7124.1170.9-175.9175.1-178.3170.70108.8Q302 Y303 K314Q302-K312 WeakPolarHBondContact O-CA 3.16Å; Y303-K312 HydrophobicContact CD1-CB 4.04Å; Y303-K312 HydrophobicContact CE1-CB 3.99Å; Y303-K312 HydrophobicContact CE1-CG 4.41Å; K312-K314 PolarHBondContact O-N 3.22Å
313I74.9Confident68.3Low72 Ų72107.3 Ų107.337%0.36958%0.577SS.*  trans-63.4107.3173.8-59.4170.5000107Q302 L311 S315Q302-I313 PolarHBondContact O-N 3.23Å; L311-I313 PolarHBondContact O-N 3.46Å; I313-S315 PolarHBondContact O-N 3.17Å
314K66.6Low67.1Low188 Ų188107.8 Ų107.882%0.81758%0.58SS**  trans-70.5117.8170.4-67.4-179.9-176.7174.70106.9K312 A316K312-K314 PolarHBondContact O-N 3.22Å; K314-A316 PolarHBondContact O-N 2.76Å
315S54.2Low66.2Low121 Ų121112.6 Ų112.685%0.84660%0.6SS**  trans-75.158.8170.562.20000110.9I313I313-S315 PolarHBondContact O-N 3.17Å
316A46.4Very low65.9Low83 Ų83112.1 Ų112.169%0.68660%0.603SS**  trans-68.3159.7149.800000108K314K314-A316 PolarHBondContact O-N 2.76Å
317K48.7Very low66Low186 Ų186113.7 Ų113.781%0.80961%0.606SS**SBendtrans-67.1144.4170.4-65.3-178.7177.4-175.80109.3
318E57.7Low66.6Low174 Ų174110.5 Ų110.581%0.81358%0.582SS**  trans36.698.1155.8-67.6159.9121.300117.2
319E54.2Low66.8Low198 Ų198112.7 Ų112.793%0.92558%0.577SS**  trans-158.3154.1131.4-115.3167.8-160.200110.9
320G53.8Low67.3Low54 Ų54115.3 Ų115.356%0.55758%0.581SS**  trans-57.7132.5-156.600000116.4
321C52.8Low67.9Low63 Ų63109 Ų10943%0.42656%0.561SS.*  trans-146.145.3162.3-167.70000109.6G323 F324C321-G323 VanDerWaalsContact C-N 3.34Å; C321-G323 PolarHBondContact O-N 3.21Å; C321-F324 PolarHBondContact O-N 3.24Å
322D56.7Low68.4Low110 Ų110110 Ų11059%0.58856%0.562SS**Hα-helixtrans-62.9-39.9-161.6-49.4-61.8000111.9F324 H325 E326D322-F324 PolarHBondContact O-N 2.92Å; D322-H325 CarbonylContact O-C 3.49Å; D322-H325 WeakPolarHBondContact O-CA 3.17Å; D322-H325 WeakPolarHBondContact O-CB 3.37Å; D322-H325 PolarHBondContact O-N 3.02Å; D322-E326 WeakPolarHBondContact O-CG 3.35Å; D322-E326 PolarHBondContact O-N 3.36Å
323G59.2Low69.1Low45 Ų45109 Ų10946%0.46456%0.559SS.*Hα-helixtrans-56.9-22.6174.600000115.6C321 W327C321-G323 VanDerWaalsContact C-N 3.34Å; C321-G323 PolarHBondContact O-N 3.21Å; G323-W327 WeakPolarHBondContact O-CB 3.37Å; G323-W327 PolarHBondContact O-N 3.01Å
324F58.8Low70Confident67 Ų67109.7 Ų109.729%0.29456%0.563SS.*Hα-helixtrans-80.6-30.6172.8-169.1-96.3000112.4C321 D322 Y328C321-F324 PolarHBondContact O-N 3.24Å; D322-F324 PolarHBondContact O-N 2.92Å; F324-Y328 WeakPolarHBondContact O-CB 3.37Å; F324-Y328 PolarHBondContact O-N 3.31Å
325H65.3Low71.4Confident119 Ų119107.6 Ų107.655%0.55155%0.55SS*.Hα-helixtrans-70.8-49.1168.3-95.177.6000110.4D322 W327 Y328 H329D322-H325 CarbonylContact O-C 3.49Å; D322-H325 WeakPolarHBondContact O-CA 3.17Å; D322-H325 WeakPolarHBondContact O-CB 3.37Å; D322-H325 PolarHBondContact O-N 3.02Å; H325-W327 PolarHBondContact O-N 3.11Å; H325-Y328 CarbonylContact O-C 3.58Å; H325-Y328 WeakPolarHBondContact O-CA 3.38Å; H325-Y328 WeakPolarHBondContact O-CB 3.44Å; H325-Y328 PolarHBondContact O-N 2.83Å; H325-H329 AromaticContact CD2-NE2 3.88Å; H325-H329 PolarHBondContact O-CD2 3.13Å; H325-H329 PolarHBondContact O-N 3.13Å
326E74.3Confident73.3Confident134 Ų134108.1 Ų108.163%0.62654%0.538SS*.Hα-helixtrans-54-51.6-179.4-69173.4157.700112D322 Y328 H329 E330D322-E326 WeakPolarHBondContact O-CG 3.35Å; D322-E326 PolarHBondContact O-N 3.36Å; E326-Y328 VanDerWaalsContact C-N 3.31Å; E326-Y328 PolarHBondContact O-N 3.23Å; E326-H329 PolarHBondContact O-N 2.79Å; E326-H329 VanDerWaalsContact O-N 3.13Å; E326-E330 WeakPolarHBondContact O-CB 3.45Å; E326-E330 PolarHBondContact O-N 2.95Å
327W86.8Confident75.6Confident143 Ų143109.8 Ų109.854%0.54253%0.527SS..Hα-helixtrans-60.6-37.5175.8179.478.1000113.1G323 H325 V331G323-W327 WeakPolarHBondContact O-CB 3.37Å; G323-W327 PolarHBondContact O-N 3.01Å; H325-W327 PolarHBondContact O-N 3.11Å; W327-V331 HydrophobicContact CD2-CG2 4.04Å; W327-V331 HydrophobicContact CG-CG2 4.46Å; W327-V331 HydrophobicContact CH2-CG2 4.36Å; W327-V331 HydrophobicContact CZ2-CG2 3.76Å; W327-V331 WeakPolarHBondContact O-CB 3.42Å; W327-V331 VanDerWaalsContact O-CG2 3.31Å; W327-V331 WeakPolarHBondContact O-CG2 3.24Å; W327-V331 PolarHBondContact O-N 3.47Å
328Y83.2Confident77.6Confident98 Ų98103.7 Ų103.738%0.38451%0.511SS..Hα-helixtrans-68.5-36.9175.9176.9-102.1000112.2L301 F324 H325 E326 K332L301-Y328 HydrophobicContact CD2-CD2 4.28Å; L301-Y328 HydrophobicContact CD2-CE2 4.25Å; F324-Y328 WeakPolarHBondContact O-CB 3.37Å; F324-Y328 PolarHBondContact O-N 3.31Å; H325-Y328 CarbonylContact O-C 3.58Å; H325-Y328 WeakPolarHBondContact O-CA 3.38Å; H325-Y328 WeakPolarHBondContact O-CB 3.44Å; H325-Y328 PolarHBondContact O-N 2.83Å; E326-Y328 VanDerWaalsContact C-N 3.31Å; E326-Y328 PolarHBondContact O-N 3.23Å; Y328-K332 VanDerWaalsContact O-CB 3.25Å; Y328-K332 WeakPolarHBondContact O-CB 3.43Å; Y328-K332 PolarHBondContact O-N 3.35Å
329H86.1Confident79Confident103 Ų10399.9 Ų99.948%0.47749%0.494SS..Hα-helixtrans-66.5-45.7173.4-80.6-79.5000111.3H325 E326 K332 E333H325-H329 AromaticContact CD2-NE2 3.88Å; H325-H329 PolarHBondContact O-CD2 3.13Å; H325-H329 PolarHBondContact O-N 3.13Å; E326-H329 PolarHBondContact O-N 2.79Å; E326-H329 VanDerWaalsContact O-N 3.13Å; H329-K332 WeakPolarHBondContact O-CB 3.26Å; H329-K332 PolarHBondContact O-N 2.93Å; H329-E333 WeakPolarHBondContact O-CB 3.13Å; H329-E333 PolarHBondContact O-N 3.31Å
330E91.1Very high80.5Confident100 Ų10092.9 Ų92.947%0.46747%0.47SS..Hα-helixtrans-58.4-51.7174.1-171.1-158.917400111.2E326 K332 E333 L334E326-E330 WeakPolarHBondContact O-CB 3.45Å; E326-E330 PolarHBondContact O-N 2.95Å; E330-K332 PolarHBondContact O-N 2.95Å; E330-E333 PolarHBondContact O-N 3.47Å; E330-E333 VanDerWaalsContact O-N 3.11Å; E330-L334 HydrophobicContact CG-CD1 3.99Å; E330-L334 HydrophobicContact CG-CG 4.37Å; E330-L334 WeakPolarHBondContact O-CB 3.13Å; E330-L334 WeakPolarHBondContact O-CG 3.43Å; E330-L334 PolarHBondContact O-N 2.96Å
331V92.8Very high82.1Confident32 Ų3297.9 Ų97.919%0.19447%0.473CS..Hα-helixtrans-64.2-27.8178.8167.20000112.4W327 R335W327-V331 HydrophobicContact CD2-CG2 4.04Å; W327-V331 HydrophobicContact CG-CG2 4.46Å; W327-V331 HydrophobicContact CH2-CG2 4.36Å; W327-V331 HydrophobicContact CZ2-CG2 3.76Å; W327-V331 WeakPolarHBondContact O-CB 3.42Å; W327-V331 VanDerWaalsContact O-CG2 3.31Å; W327-V331 WeakPolarHBondContact O-CG2 3.24Å; W327-V331 PolarHBondContact O-N 3.47Å; V331-R335 VanDerWaalsContact O-CB 3.31Å; V331-R335 WeakPolarHBondContact O-CB 3.18Å; V331-R335 PolarHBondContact O-N 3.01Å
332K93.3Very high83.6Confident112 Ų11299.8 Ų99.849%0.48747%0.474SS..Hα-helixtrans-72.3-46.6171.6-175.9-170173.2-160.70110.9Y328 H329 E330 R335 E336Y328-K332 VanDerWaalsContact O-CB 3.25Å; Y328-K332 WeakPolarHBondContact O-CB 3.43Å; Y328-K332 PolarHBondContact O-N 3.35Å; H329-K332 WeakPolarHBondContact O-CB 3.26Å; H329-K332 PolarHBondContact O-N 2.93Å; E330-K332 PolarHBondContact O-N 2.95Å; K332-R335 WeakPolarHBondContact O-CB 3.41Å; K332-R335 PolarHBondContact O-N 3.34Å; K332-E336 PolarHBondContact O-N 3.49Å
333E93.5Very high84.8Confident88 Ų8899.7 Ų99.741%0.41147%0.468SS..Hα-helixtrans-64.2-43178.4-168.1-169.1-163.700111.8H329 E330 R335 E336 R337H329-E333 WeakPolarHBondContact O-CB 3.13Å; H329-E333 PolarHBondContact O-N 3.31Å; E330-E333 PolarHBondContact O-N 3.47Å; E330-E333 VanDerWaalsContact O-N 3.11Å; E333-R335 VanDerWaalsContact C-N 3.31Å; E333-R335 PolarHBondContact O-N 3.41Å; E333-E336 PolarHBondContact O-N 3.42Å; E333-R337 WeakPolarHBondContact O-CB 3.12Å; E333-R337 WeakPolarHBondContact O-CG 3.44Å; E333-R337 PolarHBondContact O-N 2.87Å; E333-R337 IonicContact OE1-CZ 2.69Å; E333-R337 IonicContact OE1-NH1 3.93Å; E333-R337 PolarHBondContact OE1-NH1 3.45Å; E333-R337 VanDerWaalsContact OE1-NH1 3.14Å; E333-R337 IonicContact OE1-NH2 2.86Å; E333-R337 PolarHBondContact OE1-NH2 3.28Å; E333-R337 IonicContact OE2-CZ 3.88Å; E333-R337 IonicContact OE2-NH1 3.72Å; E333-R337 PolarHBondContact OE2-NH1 3.04Å; E333-R337 IonicContact OE2-NH2 3.14Å
334L95.4Very high85.7Confident86 Ų86107 Ų10745%0.4548%0.482SS..Hα-helixtrans-61.7-37.5173.4-71.9172.8000111.9E330 A338E330-L334 HydrophobicContact CG-CD1 3.99Å; E330-L334 HydrophobicContact CG-CG 4.37Å; E330-L334 WeakPolarHBondContact O-CB 3.13Å; E330-L334 WeakPolarHBondContact O-CG 3.43Å; E330-L334 PolarHBondContact O-N 2.96Å; L334-A338 VanDerWaalsContact O-CB 3.26Å; L334-A338 WeakPolarHBondContact O-CB 3.38Å; L334-A338 PolarHBondContact O-N 3.46Å
335R96.1Very high86.2Confident144 Ų144107.9 Ų107.954%0.54350%0.501SS..Hα-helixtrans-68.6-39.3174.7-171.6175.6-63.81095111.7V331 K332 E333 A338 E339V331-R335 VanDerWaalsContact O-CB 3.31Å; V331-R335 WeakPolarHBondContact O-CB 3.18Å; V331-R335 PolarHBondContact O-N 3.01Å; K332-R335 WeakPolarHBondContact O-CB 3.41Å; K332-R335 PolarHBondContact O-N 3.34Å; E333-R335 VanDerWaalsContact C-N 3.31Å; E333-R335 PolarHBondContact O-N 3.41Å; R335-A338 PolarHBondContact O-N 3.34Å; R335-E339 PolarHBondContact O-N 3.2Å
336E94.2Very high86.2Confident131 Ų131110.4 Ų110.461%0.61251%0.506SS*.Hα-helixtrans-68.1-44.3175-178.9160-161.400112.2K332 E333 A338 E339 A340K332-E336 PolarHBondContact O-N 3.49Å; E333-E336 PolarHBondContact O-N 3.42Å; E336-A338 VanDerWaalsContact C-N 3.35Å; E336-A338 PolarHBondContact O-N 2.97Å; E336-E339 CarbonylContact O-C 3.57Å; E336-E339 PolarHBondContact O-N 3.5Å; E336-E339 VanDerWaalsContact O-N 3.15Å; E336-A340 WeakPolarHBondContact O-CB 3.48Å; E336-A340 PolarHBondContact O-N 3.3Å
337R93.4Very high86Confident119 Ų119105.9 Ų105.945%0.44950%0.496SS..Hα-helixtrans-56.2-47169.6-77.4-178172.8117.612.6111E333 E339 A340 Y341E333-R337 WeakPolarHBondContact O-CB 3.12Å; E333-R337 WeakPolarHBondContact O-CG 3.44Å; E333-R337 PolarHBondContact O-N 2.87Å; E333-R337 IonicContact OE1-CZ 2.69Å; E333-R337 IonicContact OE1-NH1 3.93Å; E333-R337 PolarHBondContact OE1-NH1 3.45Å; E333-R337 VanDerWaalsContact OE1-NH1 3.14Å; E333-R337 IonicContact OE1-NH2 2.86Å; E333-R337 PolarHBondContact OE1-NH2 3.28Å; E333-R337 IonicContact OE2-CZ 3.88Å; E333-R337 IonicContact OE2-NH1 3.72Å; E333-R337 PolarHBondContact OE2-NH1 3.04Å; E333-R337 IonicContact OE2-NH2 3.14Å; R337-E339 VanDerWaalsContact C-N 3.31Å; R337-E339 PolarHBondContact O-N 2.83Å; R337-A340 WeakPolarHBondContact O-CB 3.48Å; R337-A340 PolarHBondContact O-N 3.09Å; R337-A340 VanDerWaalsContact O-N 3.08Å; R337-Y341 HydrophobicContact CB-CD2 4.49Å; R337-Y341 HydrophobicContact CB-CE2 4.41Å; R337-Y341 WeakPolarHBondContact O-CD2 3.31Å; R337-Y341 PolarHBondContact O-N 3.05Å
338A90.4Very high85.2Confident58 Ų58105.5 Ų105.548%0.47951%0.51SS..Hα-helixtrans-61.6-37.4176.500000112.3L334 R335 E336 K342L334-A338 VanDerWaalsContact O-CB 3.26Å; L334-A338 WeakPolarHBondContact O-CB 3.38Å; L334-A338 PolarHBondContact O-N 3.46Å; R335-A338 PolarHBondContact O-N 3.34Å; E336-A338 VanDerWaalsContact C-N 3.35Å; E336-A338 PolarHBondContact O-N 2.97Å; A338-K342 WeakPolarHBondContact O-CB 3.33Å; A338-K342 PolarHBondContact O-N 2.85Å
339E88.1Confident84.2Confident94 Ų94105.8 Ų105.844%0.43951%0.514SS..Hα-helixtrans-68.6-35.2170.8-76-162.6-172.800113.3R335 E336 R337 K342 K343R335-E339 PolarHBondContact O-N 3.2Å; E336-E339 CarbonylContact O-C 3.57Å; E336-E339 PolarHBondContact O-N 3.5Å; E336-E339 VanDerWaalsContact O-N 3.15Å; R337-E339 VanDerWaalsContact C-N 3.31Å; R337-E339 PolarHBondContact O-N 2.83Å; E339-K342 PolarHBondContact O-N 3.46Å; E339-K343 WeakPolarHBondContact O-CB 3.44Å; E339-K343 WeakPolarHBondContact O-CD 3.23Å; E339-K343 WeakPolarHBondContact O-CG 3.41Å; E339-K343 PolarHBondContact O-N 3.21Å; E339-K343 IonicContact OE2-NZ 2.6Å
340A85.3Confident83.1Confident51 Ų51106.5 Ų106.542%0.42152%0.516SS..Hα-helixtrans-68.3-44175.100000112E336 R337 K342 K343 R344E336-A340 WeakPolarHBondContact O-CB 3.48Å; E336-A340 PolarHBondContact O-N 3.3Å; R337-A340 WeakPolarHBondContact O-CB 3.48Å; R337-A340 PolarHBondContact O-N 3.09Å; R337-A340 VanDerWaalsContact O-N 3.08Å; A340-K342 VanDerWaalsContact C-N 3.34Å; A340-K342 PolarHBondContact O-N 3.18Å; A340-K343 PolarHBondContact O-N 3.02Å; A340-R344 WeakPolarHBondContact O-CB 3.4Å; A340-R344 PolarHBondContact O-N 2.96Å
341Y87.7Confident82.4Confident158 Ų158104.1 Ų104.162%0.6251%0.511SS*.Hα-helixtrans-61.3-42.2171.8-77.4-65.1000111.6R337 R344 A345R337-Y341 HydrophobicContact CB-CD2 4.49Å; R337-Y341 HydrophobicContact CB-CE2 4.41Å; R337-Y341 WeakPolarHBondContact O-CD2 3.31Å; R337-Y341 PolarHBondContact O-N 3.05Å; Y341-R344 PolarHBondContact O-N 3.08Å; Y341-A345 WeakPolarHBondContact O-CB 3.42Å; Y341-A345 PolarHBondContact O-N 2.81Å
342K84.6Confident81.9Confident104 Ų104112.3 Ų112.345%0.45254%0.538SS..Hα-helixtrans-62.2-43.4174.4177.4179.3176.2-176.60112.2A338 E339 A340 W346A338-K342 WeakPolarHBondContact O-CB 3.33Å; A338-K342 PolarHBondContact O-N 2.85Å; E339-K342 PolarHBondContact O-N 3.46Å; A340-K342 VanDerWaalsContact C-N 3.34Å; A340-K342 PolarHBondContact O-N 3.18Å; K342-W346 HydrophobicContact CD-CH2 4.39Å; K342-W346 HydrophobicContact CD-CZ2 4.21Å; K342-W346 VanDerWaalsContact CE-CH2 3.44Å; K342-W346 HydrophobicContact CG-CD2 4.17Å; K342-W346 HydrophobicContact CG-CH2 4.24Å; K342-W346 HydrophobicContact CG-CZ2 3.83Å; K342-W346 WeakPolarHBondContact O-CB 3.41Å; K342-W346 PolarHBondContact O-N 3.42Å
343K81.4Confident81.2Confident107 Ų107114.8 Ų114.847%0.46555%0.551SS.*Hα-helixtrans-61.5-49.2173.3-72.1161.2-171.4166.10110.8E339 A340 A345 W346 H349E339-K343 WeakPolarHBondContact O-CB 3.44Å; E339-K343 WeakPolarHBondContact O-CD 3.23Å; E339-K343 WeakPolarHBondContact O-CG 3.41Å; E339-K343 PolarHBondContact O-N 3.21Å; E339-K343 IonicContact OE2-NZ 2.6Å; A340-K343 PolarHBondContact O-N 3.02Å; K343-A345 PolarHBondContact O-N 3.12Å; K343-W346 PolarHBondContact O-N 3Å; K343-H349 PolarHBondContact O-CE1 3.02Å
344R77.6Confident80.7Confident198 Ų198114 Ų11475%0.74755%0.548SS*.Hα-helixtrans-62.5-42.4178.9-172177.1-71.2172.9-2.6112.7A340 Y341 W346 G347A340-R344 WeakPolarHBondContact O-CB 3.4Å; A340-R344 PolarHBondContact O-N 2.96Å; Y341-R344 PolarHBondContact O-N 3.08Å; R344-W346 VanDerWaalsContact C-N 3.3Å; R344-W346 PolarHBondContact O-N 3.36Å; R344-G347 PolarHBondContact O-N 3.4Å; R344-G347 VanDerWaalsContact O-N 3.11Å
345A68.9Low80.1Confident86 Ų86113.1 Ų113.171%0.71154%0.543SS*.Hα-helixtrans-72.9-19.4177.700000113.7Y341 K343Y341-A345 WeakPolarHBondContact O-CB 3.42Å; Y341-A345 PolarHBondContact O-N 2.81Å; K343-A345 PolarHBondContact O-N 3.12Å
346W66.4Low79.6Confident172 Ų172110.7 Ų110.765%0.65254%0.541SS*.THydrogen-bonded Turntrans-79.3-1.6168.6-71.6-5.2000113.4K342 K343 R344K342-W346 HydrophobicContact CD-CH2 4.39Å; K342-W346 HydrophobicContact CD-CZ2 4.21Å; K342-W346 VanDerWaalsContact CE-CH2 3.44Å; K342-W346 HydrophobicContact CG-CD2 4.17Å; K342-W346 HydrophobicContact CG-CH2 4.24Å; K342-W346 HydrophobicContact CG-CZ2 3.83Å; K342-W346 WeakPolarHBondContact O-CB 3.41Å; K342-W346 PolarHBondContact O-N 3.42Å; K343-W346 PolarHBondContact O-N 3Å; R344-W346 VanDerWaalsContact C-N 3.3Å; R344-W346 PolarHBondContact O-N 3.36Å
347G69.1Low79.2Confident40 Ų40110.3 Ų110.341%0.41254%0.539SS..  trans67.7-168.5179.800000113.3R344 H349R344-G347 PolarHBondContact O-N 3.4Å; R344-G347 VanDerWaalsContact O-N 3.11Å; G347-H349 PolarHBondContact O-N 3.23Å; G347-H349 PolarHBondContact O-ND1 3.31Å
348T69.8Low78.7Confident135 Ų135108.1 Ų108.183%0.82854%0.535SS*.SBendtrans-53.6123.116741.10000108.6F350T348-F350 VanDerWaalsContact C-N 3.29Å; T348-F350 PolarHBondContact O-N 3.11Å
349H63.1Low78.2Confident104 Ų104111.2 Ų111.248%0.48154%0.543SS..  trans-72.883.5-168.9-74.3-3000111.3K343 G347 S351K343-H349 PolarHBondContact O-CE1 3.02Å; G347-H349 PolarHBondContact O-N 3.23Å; G347-H349 PolarHBondContact O-ND1 3.31Å; H349-S351 PolarHBondContact O-N 2.79Å
350F62.3Low78.2Confident118 Ų118108.6 Ų108.652%0.51854%0.535SS..  trans-69.172.2176.1-153.8-82.4000110.4T348 H354 L355 I358T348-F350 VanDerWaalsContact C-N 3.29Å; T348-F350 PolarHBondContact O-N 3.11Å; F350-H354 AromaticContact CD2-CD2 3.54Å; F350-H354 AromaticContact CE2-CD2 3.74Å; F350-L355 HydrophobicContact CD1-CB 4.45Å; F350-L355 HydrophobicContact CE1-CB 3.77Å; F350-L355 HydrophobicContact CE1-CD1 3.76Å; F350-L355 HydrophobicContact CE1-CG 4.38Å; F350-L355 HydrophobicContact CZ-CD1 4.33Å; F350-I358 HydrophobicContact CE2-CD1 3.47Å; F350-I358 VanDerWaalsContact CE2-CD1 3.47Å; F350-I358 HydrophobicContact CZ-CD1 3.61Å
351S78.1Confident78Confident50 Ų50113.2 Ų113.235%0.3555%0.553SS.*  trans-68.9160.5179.776.80000109.9H349 Q353 H354 L355H349-S351 PolarHBondContact O-N 2.79Å; S351-Q353 PolarHBondContact O-N 3.07Å; S351-Q353 PolarHBondContact OG-N 3.22Å; S351-H354 PolarHBondContact O-N 3.35Å; S351-H354 PolarHBondContact OG-N 3.43Å; S351-L355 PolarHBondContact O-N 2.92Å
352R80.4Confident77.7Confident203 Ų203111.7 Ų111.777%0.76655%0.551SS**Hα-helixtrans-63.5-21.3172.4-172.1168.9177.1175.30.9112.5N356R352-N356 VanDerWaalsContact O-CB 3.29Å; R352-N356 WeakPolarHBondContact O-CB 3.3Å; R352-N356 VanDerWaalsContact O-CG 3.23Å; R352-N356 PolarHBondContact O-N 3.4Å; R352-N356 PolarHBondContact O-OD1 3.46Å
353Q79.3Confident77.5Confident165 Ų165108.8 Ų108.877%0.77154%0.541SS*.Hα-helixtrans-72.8-37.3172-69.9167.6-58.100111.4S351 N356 Q357S351-Q353 PolarHBondContact O-N 3.07Å; S351-Q353 PolarHBondContact OG-N 3.22Å; Q353-N356 CarbonylContact O-C 3.54Å; Q353-N356 PolarHBondContact O-N 2.77Å; Q353-Q357 WeakPolarHBondContact O-CB 3.5Å; Q353-Q357 PolarHBondContact O-N 2.77Å
354H82.6Confident77.1Confident72 Ų72112.1 Ų112.133%0.33355%0.55SS.*Hα-helixtrans-72.5-37.7174.7-170.551000112.2F350 S351 N356 Q357 I358F350-H354 AromaticContact CD2-CD2 3.54Å; F350-H354 AromaticContact CE2-CD2 3.74Å; S351-H354 PolarHBondContact O-N 3.35Å; S351-H354 PolarHBondContact OG-N 3.43Å; H354-N356 VanDerWaalsContact C-N 3.34Å; H354-N356 PolarHBondContact O-N 2.87Å; H354-Q357 PolarHBondContact ND1-OE1 3.23Å; H354-Q357 WeakPolarHBondContact O-CB 3.18Å; H354-Q357 PolarHBondContact O-N 2.8Å; H354-Q357 VanDerWaalsContact O-N 3.08Å; H354-I358 PolarHBondContact O-N 2.94Å
355L83.5Confident77.1Confident66 Ų66107.6 Ų107.635%0.34654%0.539SS..Hα-helixtrans-54.9-50.4166.1179.675.2000110.7F350 S351 Q357 I358 L359F350-L355 HydrophobicContact CD1-CB 4.45Å; F350-L355 HydrophobicContact CE1-CB 3.77Å; F350-L355 HydrophobicContact CE1-CD1 3.76Å; F350-L355 HydrophobicContact CE1-CG 4.38Å; F350-L355 HydrophobicContact CZ-CD1 4.33Å; S351-L355 PolarHBondContact O-N 2.92Å; L355-Q357 PolarHBondContact O-N 3.42Å; L355-I358 PolarHBondContact O-N 3.23Å; L355-L359 HydrophobicContact CD1-CD1 3.75Å; L355-L359 HydrophobicContact CD1-CG 4.2Å; L355-L359 HydrophobicContact CD2-CD1 4.49Å; L355-L359 HydrophobicContact CG-CD1 3.91Å; L355-L359 HydrophobicContact CG-CG 4.42Å; L355-L359 VanDerWaalsContact O-CB 3.32Å; L355-L359 WeakPolarHBondContact O-CB 3.32Å; L355-L359 WeakPolarHBondContact O-CG 3.25Å; L355-L359 PolarHBondContact O-N 3.15Å
356N85.9Confident77.3Confident94 Ų94113.5 Ų113.550%0.50354%0.543SS..Hα-helixtrans-68-12.6177.8-78.637000113.9R352 Q353 H354 S360R352-N356 VanDerWaalsContact O-CB 3.29Å; R352-N356 WeakPolarHBondContact O-CB 3.3Å; R352-N356 VanDerWaalsContact O-CG 3.23Å; R352-N356 PolarHBondContact O-N 3.4Å; R352-N356 PolarHBondContact O-OD1 3.46Å; Q353-N356 CarbonylContact O-C 3.54Å; Q353-N356 PolarHBondContact O-N 2.77Å; H354-N356 VanDerWaalsContact C-N 3.34Å; H354-N356 PolarHBondContact O-N 2.87Å; N356-S360 WeakPolarHBondContact O-CB 3.31Å; N356-S360 PolarHBondContact O-N 2.86Å
357Q84.8Confident77.7Confident123 Ų123110.9 Ų110.958%0.57554%0.538SS*.Hα-helixtrans-86-43.6175.2-175.4-176.48.200110.2Q353 H354 L355 S360Q353-Q357 WeakPolarHBondContact O-CB 3.5Å; Q353-Q357 PolarHBondContact O-N 2.77Å; H354-Q357 PolarHBondContact ND1-OE1 3.23Å; H354-Q357 WeakPolarHBondContact O-CB 3.18Å; H354-Q357 PolarHBondContact O-N 2.8Å; H354-Q357 VanDerWaalsContact O-N 3.08Å; L355-Q357 PolarHBondContact O-N 3.42Å; Q357-S360 WeakPolarHBondContact O-CB 3.44Å; Q357-S360 PolarHBondContact O-N 3.14Å
358I83.6Confident77.5Confident73 Ų73114.3 Ų114.337%0.37455%0.553SS.*Hα-helixtrans-71.3-37.7175.1-66.6161.1000111F350 H354 L355 S360F350-I358 HydrophobicContact CE2-CD1 3.47Å; F350-I358 VanDerWaalsContact CE2-CD1 3.47Å; F350-I358 HydrophobicContact CZ-CD1 3.61Å; H354-I358 PolarHBondContact O-N 2.94Å; L355-I358 PolarHBondContact O-N 3.23Å; I358-S360 VanDerWaalsContact C-N 3.25Å; I358-S360 PolarHBondContact O-N 2.66Å
359L80.3Confident76.9Confident123 Ų123112.4 Ų112.464%0.64455%0.545SS*.THydrogen-bonded Turntrans-90.122.7169.8-55.7-177.9000112.4L355L355-L359 HydrophobicContact CD1-CD1 3.75Å; L355-L359 HydrophobicContact CD1-CG 4.2Å; L355-L359 HydrophobicContact CD2-CD1 4.49Å; L355-L359 HydrophobicContact CG-CD1 3.91Å; L355-L359 HydrophobicContact CG-CG 4.42Å; L355-L359 VanDerWaalsContact O-CB 3.32Å; L355-L359 WeakPolarHBondContact O-CB 3.32Å; L355-L359 WeakPolarHBondContact O-CG 3.25Å; L355-L359 PolarHBondContact O-N 3.15Å
360S87.9Confident76.3Confident38 Ų38112.8 Ų112.827%0.26656%0.559SS.*  trans-77.6130.8165.3-1720000107.3N356 Q357 I358 Q362 N363N356-S360 WeakPolarHBondContact O-CB 3.31Å; N356-S360 PolarHBondContact O-N 2.86Å; Q357-S360 WeakPolarHBondContact O-CB 3.44Å; Q357-S360 PolarHBondContact O-N 3.14Å; I358-S360 VanDerWaalsContact C-N 3.25Å; I358-S360 PolarHBondContact O-N 2.66Å; S360-Q362 PolarHBondContact O-N 3.44Å; S360-N363 VanDerWaalsContact O-CB 3.26Å; S360-N363 WeakPolarHBondContact O-CB 3.48Å; S360-N363 PolarHBondContact O-N 3.49Å
361D81.6Confident75.8Confident149 Ų149110.9 Ų110.980%0.79757%0.573SS**G310 helixtrans-53.4-34.8177.2-49-52.6000110.7N363 W364D361-N363 PolarHBondContact O-N 3.02Å; D361-W364 PolarHBondContact O-N 3.49Å
362Q80.7Confident74Confident125 Ų125114.9 Ų114.958%0.58460%0.596SS**G310 helixtrans-57.9-10.6175.1-64.9178.6-20.900115.3S360 W364 M365S360-Q362 PolarHBondContact O-N 3.44Å; Q362-W364 PolarHBondContact O-N 2.69Å; Q362-M365 HydrophobicContact CB-CE 4.04Å; Q362-M365 HydrophobicContact CG-CE 4.41Å; Q362-M365 PolarHBondContact O-N 3.24Å; Q362-M365 VanDerWaalsContact O-N 3.13Å
363N81.1Confident72.2Confident44 Ų44110.6 Ų110.624%0.23560%0.597CS.*G310 helixtrans-64.2-17.4173.7-16176.5000112.2S360 D361 M365 W366 E367S360-N363 VanDerWaalsContact O-CB 3.26Å; S360-N363 WeakPolarHBondContact O-CB 3.48Å; S360-N363 PolarHBondContact O-N 3.49Å; D361-N363 PolarHBondContact O-N 3.02Å; N363-M365 PolarHBondContact O-N 3.06Å; N363-M365 VanDerWaalsContact O-N 3.13Å; N363-W366 PolarHBondContact O-N 2.82Å; N363-E367 PolarHBondContact ND2-OE1 3.02Å; N363-E367 PolarHBondContact O-N 3.44Å
364W72.5Confident70.4Confident176 Ų176107.7 Ų107.767%0.66760%0.595SS**G310 helixtrans-57.2-25.1170.177.5-109.1000113.4D361 Q362 W366D361-W364 PolarHBondContact O-N 3.49Å; Q362-W364 PolarHBondContact O-N 2.69Å; W364-W366 VanDerWaalsContact C-N 3.3Å
365M77.1Confident68.2Low103 Ų103109 Ų10951%0.50761%0.612SS.*G310 helixtrans-82.6-5.3176.1-55.3-174-5600113.6Q362 N363Q362-M365 HydrophobicContact CB-CE 4.04Å; Q362-M365 HydrophobicContact CG-CE 4.41Å; Q362-M365 PolarHBondContact O-N 3.24Å; Q362-M365 VanDerWaalsContact O-N 3.13Å; N363-M365 PolarHBondContact O-N 3.06Å; N363-M365 VanDerWaalsContact O-N 3.13Å
366W72.9Confident66.2Low211 Ų211111.7 Ų111.780%0.79964%0.637SS**THydrogen-bonded Turntrans-117.7-22.4-176.6-66.794.5000113.1N363 W364N363-W366 PolarHBondContact O-N 2.82Å; W364-W366 VanDerWaalsContact C-N 3.3Å
367E75.9Confident64.1Low117 Ų117115 Ų11555%0.54765%0.652SS.*SBendtrans-59138.8156.5-62.7-54.3144.700109.1N363 S369N363-E367 PolarHBondContact ND2-OE1 3.02Å; N363-E367 PolarHBondContact O-N 3.44Å; E367-S369 PolarHBondContact O-N 2.88Å
368P65Low62Low111 Ų111117.6 Ų117.672%0.72166%0.664SS**  trans-69.697.2176.128.5-33.1000109.2S370P368-S370 PolarHBondContact O-N 3.21Å
369S56.9Low59.9Low95 Ų95119.3 Ų119.366%0.66468%0.683SS**  trans-45105.6172.7-66.70000110E367 G371E367-S369 PolarHBondContact O-N 2.88Å; S369-G371 PolarHBondContact O-N 3.48Å; S369-G371 VanDerWaalsContact O-N 3.11Å
370S49.3Very low58Low112 Ų112122.3 Ų122.378%0.78369%0.694SS**  trans-61.7118.6179.2-67.40000108P368 T372P368-S370 PolarHBondContact O-N 3.21Å; S370-T372 PolarHBondContact O-N 2.93Å
371G51.7Low55.7Low78 Ų78124.9 Ų124.980%0.80472%0.717SS**  trans-71.771-166.100000113.7S369S369-G371 PolarHBondContact O-N 3.48Å; S369-G371 VanDerWaalsContact O-N 3.11Å
372T40.1Very low53.4Low134 Ų134122.4 Ų122.482%0.82271%0.711SS**  trans-112.476170-51.30000108.3S370S370-T372 PolarHBondContact O-N 2.93Å
373S43.2Very low51.4Low113 Ų113126.7 Ų126.779%0.7972%0.722SS**  trans-71144.4176.7-64.30000111.9
374S40.8Very low49.4Very low105 Ų105130.1 Ų130.173%0.73475%0.749SS**  trans95.1141.3150.8-162.60000120.1
375S37.4Very low47.7Very low99 Ų99128 Ų12869%0.69276%0.756SS**  trans61.5110.1147.644.30000119.6I377S375-I377 PolarHBondContact O-N 3.17Å
376S41.4Very low46.2Very low123 Ų123127 Ų12786%0.8676%0.759SS**  trans-55126.1150.9-35.40000111.1
377I41.5Very low44.5Very low162 Ų162125 Ų12583%0.83176%0.758SS**  trans-134.3152.4139.956.8172.1000108.1S375S375-I377 PolarHBondContact O-N 3.17Å
378E41.4Very low43.2Very low178 Ų178127.4 Ų127.483%0.83277%0.773SS**  trans-84.7175.8173.1-60173.8127.700110.4
379S39Very low42.3Very low110 Ų110129.8 Ų129.877%0.76978%0.778SS**  trans97.8119.9165.8-40.50000118.2
380E41Very low41.7Very low185 Ų185134.2 Ų134.286%0.86479%0.788SS**  trans62.8110.8135.7-58.4-168.8158.700122.3
381A39.7Very low41.7Very low92 Ų92133.3 Ų133.376%0.7679%0.787SS**  53.6122.1123.800000122.1
382C33.8Very low41.5Very low97 Ų97136.7 Ų136.766%0.65579%0.786SS**  trans85.894.8146.1-68.30000121.6
383R37.7Very low41.9Very low216 Ų216137 Ų13782%0.81578%0.782SS**  trans86.4140.9131.1-59.5-178178.897.90.6119.9
384S38.6Very low42.4Very low115 Ų115139.2 Ų139.280%0.80479%0.785SS**  trans64.2119.8163.7-57.20000115.3
385T36.8Very low42.5Very low132 Ų132138 Ų13881%0.8178%0.781SS**  cis-142-176.344.7400000114.5
386S46.3Very low42.5Very low82 Ų82144.3 Ų144.357%0.57379%0.79SS**  trans-50.8160.6167.447.50000113
387H37.7Very low42.1Very low169 Ų169143.6 Ų143.678%0.78279%0.791SS**  cis-147133.942-49.9-93.6000114.2
388I48.2Very low41.9Very low167 Ų167139 Ų13986%0.85679%0.785SS**  trans-114.5133.6157.3-67.2175.3000106E390I388-E390 PolarHBondContact O-N 3.08Å; I388-E390 VanDerWaalsContact O-N 3.11Å
389I45.9Very low41.6Very low162 Ų162136 Ų13683%0.83178%0.783SS**  trans-78102.2-171.2-60.7175.4000109.8A391I389-A391 PolarHBondContact O-N 3Å
390E45.1Very low41.5Very low188 Ų188137.1 Ų137.188%0.87979%0.785SS**  trans-71.6113.1176.3-169.8167.4-143.400110.5I388 L392I388-E390 PolarHBondContact O-N 3.08Å; I388-E390 VanDerWaalsContact O-N 3.11Å; E390-L392 PolarHBondContact O-N 3Å
391A47.7Very low41.4Very low92 Ų92139 Ų13976%0.7678%0.784SS**  trans-86.190.6-169.800000112.7I389 D393I389-A391 PolarHBondContact O-N 3Å; A391-D393 PolarHBondContact O-N 2.89Å
392L47.9Very low40.9Very low150 Ų150143.4 Ų143.479%0.78579%0.789SS**  trans28.762.8154.3-78.1153.1000117E390 L394E390-L392 PolarHBondContact O-N 3Å; L392-L394 HydrophobicContact CD2-CD1 4.09Å; L392-L394 HydrophobicContact CD2-CD2 4.46Å; L392-L394 HydrophobicContact CD2-CG 4.23Å; L392-L394 PolarHBondContact O-N 3.25Å
393D48.7Very low40.8Very low139 Ų139144 Ų14474%0.74379%0.794SS**  trans-90.786.7165.5-169.1-2.7000110.7A391 A395A391-D393 PolarHBondContact O-N 2.89Å; D393-A395 PolarHBondContact O-N 3.23Å; D393-A395 VanDerWaalsContact O-N 3.12Å; D393-A395 VanDerWaalsContact OD1-CB 3.29Å; D393-A395 WeakPolarHBondContact OD1-CB 3.41Å; D393-A395 PolarHBondContact OD1-N 3.11Å
394L53.1Low40.6Very low160 Ų160139.8 Ų139.884%0.83880%0.798SS**  trans-82.933.9-178-66.2173.7000113.2L392L392-L394 HydrophobicContact CD2-CD1 4.09Å; L392-L394 HydrophobicContact CD2-CD2 4.46Å; L392-L394 HydrophobicContact CD2-CG 4.23Å; L392-L394 PolarHBondContact O-N 3.25Å
395A44.3Very low40.2Very low80 Ų80139.6 Ų139.666%0.66180%0.797SS**SBendtrans-124.69.1-166.500000118D393D393-A395 PolarHBondContact O-N 3.23Å; D393-A395 VanDerWaalsContact O-N 3.12Å; D393-A395 VanDerWaalsContact OD1-CB 3.29Å; D393-A395 WeakPolarHBondContact OD1-CB 3.41Å; D393-A395 PolarHBondContact OD1-N 3.11Å
396R36Very low40.5Very low231 Ų231139.2 Ų139.287%0.87280%0.796SS**  trans-156.189.3161.3-173.4157.2-78.8171.6-6114.6
397A34.8Very low39.5Very low108 Ų108138.3 Ų138.389%0.89380%0.8SS**  trans-87.9138.7160.700000110.8
398G36.4Very low39.2Very low67 Ų67138.9 Ų138.969%0.69180%0.803SS**  trans96135.6173.800000114.8
399S34.4Very low38.4Very low113 Ų113136.4 Ų136.479%0.7980%0.8SS**  cis-165.9176.3-9.7-163.30000109.9
400V37.8Very low37.6Very low135 Ų135132.8 Ų132.882%0.81879%0.794SS**  trans72.7127.9168.1-174.60000115.9
401R38.4Very low36.9Very low223 Ų223129.1 Ų129.184%0.84279%0.789SS**  trans-85.9143.6165.1-62.2-177.2-74.6-159.6-4.6108.8
402E28.8Very low36.1Very low185 Ų185130.6 Ų130.686%0.86479%0.789SS**  -163156.8126.9-136.670.2-86.300110
403S32.7Very low35.2Very low109 Ų109129.5 Ų129.576%0.76279%0.788SS**  trans-116125.2-178.455.80000112.9
404S32.7Very low34.4Very low129 Ų129128.7 Ų128.790%0.90279%0.788SS**  trans-168.2157.8151.734.60000112.4
405S31.4Very low33.3Very low111 Ų111126 Ų12678%0.77678%0.782SS**  trans-125.3-176.7168.867.60000107.5
406P42.7Very low32.6Very low123 Ų123133 Ų13380%0.79979%0.792SS**  cis-129.8174.3-14.538.3-23000113.8
407G25.6Very low32.3Very low64 Ų64133.2 Ų133.266%0.6679%0.793SS**  trans126.9158.9139.100000120.5
408H30.8Very low32.1Very low181 Ų181133 Ų13384%0.83878%0.784SS**  trans62.292156.1-57.7-76.5000121.4
409S31.8Very low32Very low114 Ų114134.7 Ų134.780%0.79779%0.786SS**  49.8133.7118.3-55.10000123.5
410A29.6Very low31.8Very low86 Ų86135.2 Ų135.271%0.71179%0.789SS**  trans85.691.6138.200000122.2
411S29.3Very low31.4Very low111 Ų111132.7 Ų132.778%0.77679%0.79SS**  90154.811384.10000122.9
412V30.6Very low31.1Very low123 Ų123131 Ų13175%0.74579%0.792SS**  trans74.798.9157.7-174.30000121.7
413V29Very low31.6Very low128 Ų128128.5 Ų128.578%0.77679%0.789SS**  25.2153.1124.3-152.60000122.1
414V32.2Very low31.5Very low121 Ų121126.5 Ų126.573%0.73379%0.786SS**  trans94112.7162.4-171.40000113.8
415S30Very low31.9Very low103 Ų103128.5 Ų128.572%0.7279%0.785SS**  cis80.7107.825-167.10000117.2
416R28.9Very low33.1Very low227 Ų227128.7 Ų128.786%0.85778%0.784SS**  trans166.1129.8142.4-97.2163.7-179.7-120.62115
417R30.5Very low32.3Very low237 Ų237132.2 Ų132.289%0.89479%0.79SS**  trans160.7140.3138.7-92.2171.5-123.2-130.44.5109
418S30.8Very low32.6Very low102 Ų102137.4 Ų137.471%0.71380%0.797SS**  cis72127.719.884.20000115.4
419S34.5Very low33.3Very low104 Ų104133 Ų13373%0.72779%0.785SS**  cis-169.51556.839.50000113.1
420S30.1Very low33.4Very low123 Ų123134.2 Ų134.286%0.8679%0.788SS**  trans12.6138.4152.3600000123.3
421G29.1Very low33.9Very low82 Ų82137 Ų13785%0.84579%0.79SS**  trans-173.9138.9154.300000111.3
422E31.8Very low34.7Very low188 Ų188137.2 Ų137.288%0.87979%0.789SS**  trans-153.3169.5-172.1-153.8-163.6145.400112.2
423V38.8Very low34.8Very low133 Ų133138.5 Ų138.581%0.80680%0.796SS**  trans78.6129171.8-166.30000116.1
424G30.9Very low35.2Very low67 Ų67140.5 Ų140.569%0.69180%0.797SS**  cis161.6174-1100000115.6
425L40.8Very low35.5Very low170 Ų170146.5 Ų146.589%0.8981%0.806SS**  trans81.4155.2164-63.4177.4000120.1
426P56.7Low36.2Very low116 Ų116151 Ų15175%0.75381%0.813SS**  trans-136.7179-142.145.4-29.5000117.2
427E27Very low36.7Very low196 Ų196147.1 Ų147.192%0.91681%0.809SS**  trans-157161.8150.4-142.7161.2-175.200112.8
428E31.3Very low37Very low173 Ų173139.5 Ų139.581%0.80880%0.796SS**  trans-149.6172.9-176-124.7-160.4146.400108.2
429P46.4Very low37.1Very low90 Ų90146.4 Ų146.458%0.58481%0.807SS**  cis-132.1179.1-12.641-25.5000114.2
430T33Very low37.1Very low139 Ų139147 Ų14785%0.85380%0.802SS**  trans-155.2134.3155.5-66.60000109.7
431L40.1Very low37.3Very low144 Ų144149.9 Ų149.975%0.75480%0.802SS**  trans-134.8173-174.6-60.2175.1000110.6
432P47.3Very low37.5Very low116 Ų116155.3 Ų155.375%0.75381%0.805SS**  -130.7171-59.238.1-24.4000111.9
433V30.8Very low37.8Very low150 Ų150154 Ų15491%0.90980%0.799SS**  trans-128.4137.8169.3179.40000111.5
434Q38.9Very low37.3Very low170 Ų170154.6 Ų154.679%0.79479%0.793SS**  trans-64144.7-161.9-56.8171.2-0.700116.2
435R38.3Very low37.2Very low246 Ų246159.3 Ų159.393%0.92880%0.802SS**  trans-150143.8133.1-123.2172.1170.185.3-1.2110.4
436K43.3Very low36.6Very low197 Ų197154.3 Ų154.386%0.85779%0.791SS**  trans-81.1130.4-162.9-59.8-175.7178.7-173.10112.8
437L39.7Very low35.4Very low147 Ų147157.7 Ų157.777%0.7780%0.797SS**  trans-79.8173.4151.4-84.1162.3000109.8
438A38Very low35.6Very low76 Ų76157.2 Ų157.263%0.62879%0.786SS**SBendtrans-124.1137.2163.800000107.6
439W32.7Very low35.6Very low247 Ų247155.3 Ų155.394%0.93678%0.777SS**  trans75.164.3-175.4-45.4102.2000115.5
440D34.1Very low34.7Very low117 Ų117158.8 Ų158.863%0.62679%0.786SS**  trans-68.1137.7145.1-51.2-48.6000107.3
441E34.8Very low34.5Very low183 Ų183159.2 Ų159.286%0.85578%0.781SS**  56.113686.4-56.4-167.9173.500112.8
442E33.7Very low34Very low196 Ų196157.9 Ų157.992%0.91678%0.779SS**  cis-139.4175.749.2-81.1177122.200115.6
443E36.6Very low33.3Very low160 Ų160160.4 Ų160.475%0.74878%0.781SS**  trans-120.3149.3170.2-148.5-157.4125.900110.5
444Q29.4Very low33.1Very low147 Ų147160.7 Ų160.769%0.68778%0.777SS**  trans86.2147.4158.3-55.117312.900121.5
445L29.4Very low33Very low166 Ų166162.4 Ų162.487%0.86978%0.776SS**  trans67.4116.6151.6-76.8159.4000122
446G27.8Very low32.8Very low64 Ų64157.7 Ų157.766%0.6677%0.769SS**  118.283102.300000119.6
447E31.7Very low32.3Very low188 Ų188153.5 Ų153.588%0.87976%0.76SS**  trans56130.3145.3-52.9-165.515600122.8
448R30.2Very low31.9Very low186 Ų186152.2 Ų152.270%0.70275%0.754SS**  116.5114.8123.3-157.3165.3-177.4-77.1-11.2118.5
449E31.3Very low31.9Very low132 Ų132156 Ų15662%0.61776%0.756SS**  trans66.3150.4153.8-82.4158-149.200118.6
450E28.5Very low31.8Very low163 Ų163151.8 Ų151.876%0.76275%0.747SS**  cis-155174.5-7.9179.5170-16000108.6
451I28.5Very low31.6Very low148 Ų148149.7 Ų149.776%0.75975%0.753SS**  trans133.5109.8143.2-66.4165.3000114.9
452V29Very low31.4Very low117 Ų117149.6 Ų149.671%0.70975%0.75SS**  trans29.9111136.7-171.70000117.6
453Q32.6Very low31.2Very low169 Ų169146.1 Ų146.179%0.7974%0.742SS**  80.8113.752.5-175.3-169.1121.400115.2
454D26.6Very low31Very low155 Ų155148.2 Ų148.283%0.82974%0.743SS**  trans-153.4175.5141.1-150.1-11.5000111.4
455R36.7Very low31Very low207 Ų207148 Ų14878%0.78175%0.746SS**  trans-121.5169.9-166.5-60.7174.5168.6-133.7-0.9112.9
456L33.9Very low31.1Very low147 Ų147146.7 Ų146.777%0.7774%0.736SS**  166.6131.5117.4-87.8168.6000113.8
457T33Very low31.1Very low108 Ų108151.4 Ų151.466%0.66375%0.746SS**  trans31.7149.4135.360.80000122.2
458D31.7Very low31Very low121 Ų121145.9 Ų145.965%0.64774%0.739SS**  cis-167.8174.5-2.8-120.3-38.4000112.8
459K37.8Very low31.1Very low156 Ų156145.5 Ų145.568%0.67875%0.747SS**  trans16.3157.2140.7-66.2160.8169.8-84.60121.9
460E30.5Very low31.3Very low157 Ų157145.6 Ų145.673%0.73475%0.748SS**  cis-166.6158.5-1.7-120.6167.4-142.600112.7
461G29.5Very low31.6Very low73 Ų73146.9 Ų146.975%0.75375%0.746SS**  trans77.9178.214500000120.4
462K31.7Very low31.7Very low182 Ų182145 Ų14579%0.79174%0.738SS**  cis-169.9104.6-25.2179.272.7177.3-168.30112.2
463T29.3Very low31.9Very low123 Ų123145.1 Ų145.176%0.75573%0.73SS**  trans61.8177164.864.40000115.5
464R32Very low32Very low204 Ų204147.3 Ų147.377%0.7773%0.731SS**  cis-149.8162.610.5-172.3175.4157.9160-6.2111.4E466R464-E466 IonicContact CZ-OE1 3.68Å; R464-E466 IonicContact NE-OE1 3.8Å; R464-E466 PolarHBondContact NE-OE1 2.82Å; R464-E466 IonicContact NH2-OE1 2.66Å; R464-E466 PolarHBondContact NH2-OE1 2.85Å
465N29Very low32.2Very low141 Ų141147.3 Ų147.375%0.75473%0.73SS**  trans-79.7162.2175-44.3-36.4000112.8
466E32.3Very low31.7Very low139 Ų139145.5 Ų145.565%0.6574%0.736SS**  trans171.1115.4134.7-88.8146.1-134.300107.1R464R464-E466 IonicContact CZ-OE1 3.68Å; R464-E466 IonicContact NE-OE1 3.8Å; R464-E466 PolarHBondContact NE-OE1 2.82Å; R464-E466 IonicContact NH2-OE1 2.66Å; R464-E466 PolarHBondContact NH2-OE1 2.85Å
467N28.4Very low31.5Very low164 Ų164143 Ų14388%0.87773%0.731SS**  80.9119.269.1-81.3-4.3000115.3
468G27.7Very low31.5Very low71 Ų71145.1 Ų145.173%0.73274%0.738SS**  trans144.3135149.300000118.7
469M33.5Very low31.3Very low178 Ų178147 Ų14788%0.87774%0.742SS**  trans69.3123.8162.6-53.6-171.1-162.100116.2
470E35.6Very low31Very low135 Ų135145.1 Ų145.163%0.63175%0.749SS**  67.1133.967.9-73.8-159.2123.900113.1
471R33.8Very low31Very low189 Ų189146.4 Ų146.471%0.71376%0.755SS**  cis-153-170.621.9-126.4179.4-159.388.414.9113.3
472N31.5Very low31Very low110 Ų110149 Ų14959%0.58876%0.762SS**  trans-51.7161172.653.1-44.9000114.5
473E33.9Very low31Very low119 Ų119148.8 Ų148.856%0.55677%0.768SS**  -165.9146.262.3-83.1-159.717900118.8
474R33.6Very low30.9Very low214 Ų214148.6 Ų148.681%0.80877%0.772SS**  trans64.3160.4133.9-66.7-173.7171.7124.2-5.4123
475L30.1Very low30.7Very low155 Ų155144.4 Ų144.481%0.81277%0.774SS**  trans-96153.6-176-61.1158.9000111.4
476N27.9Very low30.8Very low170 Ų170142.1 Ų142.191%0.90978%0.775SS**  -159.1165.9122.3-109.5-9000111.8
477S29.1Very low30.8Very low95 Ų95143.9 Ų143.966%0.66478%0.783SS**  trans-130169.3-168.7-52.80000111.4
478L32.2Very low30.9Very low152 Ų152144.9 Ų144.980%0.79678%0.782SS**  trans68.4156.3170.8-51.5165.6000113.1
479E28.6Very low31Very low159 Ų159144.7 Ų144.774%0.74378%0.78SS**  cis-149.2163.1-13.3-121.2158.6155.600106.1
480S31Very low31Very low117 Ų117142.4 Ų142.482%0.81878%0.782SS**  176.2162.690.2-62.60000110.4
481E30.6Very low30.8Very low185 Ų185145 Ų14586%0.86479%0.794SS**  trans-89.6164.1179.1-49.1170.7112.200113
482S29.1Very low30.7Very low127 Ų127140.6 Ų140.689%0.88880%0.798SS**  trans175.2166.3130.9-82.20000113.8
483L31Very low31.2Very low178 Ų178140.7 Ų140.793%0.93281%0.807SS**  trans-123.7140.9-167.1-65.4158.7000113.4
484S27.5Very low31.5Very low119 Ų119141.1 Ų141.183%0.83282%0.818SS**  trans-170.5149.3148.148.80000109.5
485S27.7Very low32.1Very low116 Ų116138.7 Ų138.781%0.81182%0.821SS**  cis117.3137.10.9-168.10000113.2
486A31.3Very low32.7Very low93 Ų93134.4 Ų134.477%0.76981%0.814SS**  trans68159179.100000117.4
487E33Very low34Very low175 Ų175130.8 Ų130.882%0.81882%0.817SS**  -174.1177.1-51.6-109.1-63.4168.600107.7
488E30.4Very low35.8Very low186 Ų186137.2 Ų137.287%0.86983%0.827SS**  trans68.2151.4176.2-54-172.9160.300116.5
489G28.8Very low37.4Very low67 Ų67137.9 Ų137.969%0.69183%0.83SS**  cis142.695.1-11.800000114.5
490S33.2Very low39.2Very low130 Ų130135.7 Ų135.791%0.90983%0.83SS**  trans-171149.3153.8-89.30000114.8
491E31.8Very low41Very low189 Ų189136.2 Ų136.288%0.88383%0.828SS**  trans-53.7154.6176.2-52.3175.4179.800113.1
492A32.8Very low42.8Very low97 Ų97132.6 Ų132.680%0.80282%0.821SS**  -173.7162.367.200000115.2
493S40.8Very low44.7Very low111 Ų111136.3 Ų136.378%0.77682%0.821SS**  trans-8.3132.7161.3-1660000120.7
494V41.1Very low46.1Very low128 Ų128135.5 Ų135.578%0.77682%0.817SS**  177.9140.9112150.90000111.7
495N45.1Very low48Very low163 Ų163139.4 Ų139.487%0.87282%0.819SS**  trans-11.3120.1169-62.2-33.6000119.4
496G43.8Very low49.5Very low66 Ų66140.9 Ų140.968%0.6882%0.823SS**  trans151.5104.3154.200000115.4R498G496-R498 PolarHBondContact O-N 3.09Å
497G54.8Low50.5Low94 Ų94144.7 Ų144.797%0.96983%0.827SS**  trans-7359.9177.100000114.5
498R67.4Low51.5Low230 Ų230145.1 Ų145.187%0.86883%0.829SS**  trans-134.4115174.3-68.8-176.6180-88.60.5109.9G496G496-R498 PolarHBondContact O-N 3.09Å
499L64.5Low52.5Low165 Ų165143.2 Ų143.286%0.86483%0.831SS**PPolyproline II helixtrans-61.2135.2170.1-67.1170.7000109.6T501L499-T501 PolarHBondContact O-N 2.76Å
500P67.3Low53.2Low114 Ų114146.3 Ų146.374%0.7484%0.836SS**PPolyproline II helixtrans-67.4126.8176.927.3-33.5000110.2P502P500-P502 WeakPolarHBondContact O-CD 3.41Å
501T69.5Low54.4Low127 Ų127148.8 Ų148.878%0.77983%0.833SS**PPolyproline II helixtrans-61.9122.4-177.4-43.50000110.9L499 K503L499-T501 PolarHBondContact O-N 2.76Å; T501-K503 PolarHBondContact O-N 2.85Å; T501-K503 VanDerWaalsContact O-N 3.16Å
502P68.6Low55.2Low110 Ų110151.5 Ų151.571%0.71484%0.835SS**PPolyproline II helixtrans-67.1116.2-179.626-33.4000110.6P500 L504P500-P502 WeakPolarHBondContact O-CD 3.41Å; P502-L504 PolarHBondContact O-N 2.97Å
503K67.5Low56.6Low204 Ų204152.9 Ų152.989%0.88783%0.834SS**  trans-75112.3176.7-68-176.3179.1179.30110T501T501-K503 PolarHBondContact O-N 2.85Å; T501-K503 VanDerWaalsContact O-N 3.16Å
504L61.1Low57.4Low162 Ų162156 Ų15685%0.84884%0.836SS**  trans-67.5137.8173.3-63.3175.9000110.6P502P502-L504 PolarHBondContact O-N 2.97Å
505K67.1Low57.6Low200 Ų200157.6 Ų157.687%0.8784%0.835SS**  trans-72.6130.9172.4-66.8-178.8179.1179.20109.5M507K505-M507 PolarHBondContact O-N 3.22Å
506T58.7Low57.8Low148 Ų148157.5 Ų157.591%0.90883%0.834SS**  trans-73.391.8178.548.70000111.1
507M53.1Low57.9Low173 Ų173165 Ų16585%0.85284%0.842SS**  trans-81.2147.1167.3-64.5-126.268.300110.5K505K505-M507 PolarHBondContact O-N 3.22Å
508Q53.6Low57.5Low183 Ų183166.7 Ų166.786%0.85583%0.834SS**  trans-67.1155.2-176-69.6170.4-2000112.3V510Q508-V510 PolarHBondContact O-N 3.47Å
509T52.6Low56.4Low147 Ų147161.6 Ų161.690%0.90283%0.828SS**  trans-69.895.8-174.848.10000112.7
510V43Very low55.6Low132 Ų132159.3 Ų159.380%0.882%0.823SS**  trans-80130.8167.7-179.50000109.7Q508 R512Q508-V510 PolarHBondContact O-N 3.47Å; V510-R512 PolarHBondContact O-N 3.47Å
511Q57.2Low53.7Low181 Ų181158.9 Ų158.985%0.84682%0.823SS**  trans-64.4132.1177.4-67.2-176.7-6.200111.2
512R48.7Very low52.2Low246 Ų246159.3 Ų159.393%0.92882%0.819SS**  trans-88.5109.3179.2-58.7-176.775.4-153.63.7110.3V510V510-R512 PolarHBondContact O-N 3.47Å
513T63.4Low50.5Low127 Ų127161.2 Ų161.278%0.77982%0.823SS**  trans-81.3141.6172.149.60000111.1
514H57.3Low48.9Very low175 Ų175160.8 Ų160.881%0.8182%0.822SS**  trans-105.780.7-174.9178-75.9000111.3
515H44.9Very low47.6Very low163 Ų163159.5 Ų159.576%0.75582%0.816SS**  trans-139.859.9-176-76.6-21000115R517H515-R517 PolarHBondContact O-N 3.1Å; H515-R517 VanDerWaalsContact O-N 3.09Å
516D49.2Very low46.1Very low160 Ų160157.7 Ų157.786%0.85682%0.815SS**  trans-78.785.3163-76.6-34.7000111.2
517R46.7Very low44.9Very low223 Ų223157.7 Ų157.784%0.84280%0.804SS**  trans-114.879.9167.8-90.6-175.1165.6149.3-4.4110.5H515 T519H515-R517 PolarHBondContact O-N 3.1Å; H515-R517 VanDerWaalsContact O-N 3.09Å; R517-T519 PolarHBondContact O-N 3.37Å; R517-T519 VanDerWaalsContact O-N 3.11Å
518T46.8Very low44Very low131 Ų131159.2 Ų159.280%0.80480%0.802SS**  trans-86.966.6-176.941.80000113.5
519T44.6Very low42.9Very low122 Ų122158 Ų15875%0.74880%0.8SS**  trans-101.4110158.840.60000109.5R517 S521R517-T519 PolarHBondContact O-N 3.37Å; R517-T519 VanDerWaalsContact O-N 3.11Å; T519-S521 PolarHBondContact O-N 3.34Å
520P45.9Very low41.9Very low117 Ų117155.3 Ų155.376%0.7679%0.792SS**  trans-73.8117.3173.829.2-32.1000110.2
521S29.4Very low41.4Very low105 Ų105159.2 Ų159.273%0.73480%0.798SS**  trans-63.5141160.6-70.20000109.4T519T519-S521 PolarHBondContact O-N 3.34Å
522I37.1Very low40.2Very low137 Ų137155.3 Ų155.370%0.70380%0.797SS**  trans-111.2103168.5-62.2177.3000106.5F524I522-F524 HydrophobicContact CG2-CD2 3.75Å; I522-F524 HydrophobicContact CG2-CE2 3.67Å; I522-F524 PolarHBondContact O-N 3.04Å
523D32.4Very low39.4Very low149 Ų149147.8 Ų147.880%0.79779%0.787SS**  trans-74.8115.1178.8-61.7-44.6000110.3
524F34.3Very low37.8Very low196 Ų196149.7 Ų149.786%0.8679%0.792SS**  trans-115100.2165.2-91.3-73000109.8I522I522-F524 HydrophobicContact CG2-CD2 3.75Å; I522-F524 HydrophobicContact CG2-CE2 3.67Å; I522-F524 PolarHBondContact O-N 3.04Å
525N33.6Very low36.6Very low135 Ų135145 Ų14572%0.72279%0.792SS**  trans-76.2120.8176.4-179.76.3000110.7
526L36.3Very low36.2Very low162 Ų162142.9 Ų142.985%0.84880%0.795SS**  trans-140.8119.1162-101.9172.2000109.7
527H33.6Very low35.6Very low147 Ų147142.7 Ų142.768%0.68179%0.793SS**  trans-65.6147.9165.1-73.512.9000110.7
528Y32.8Very low35.3Very low206 Ų206138.2 Ų138.281%0.80879%0.793SS**  -176.6130110.7-99.6-65.2000113.1
529I32.3Very low34.7Very low158 Ų158143.3 Ų143.381%0.8180%0.797SS**  trans59.9126.2154.7-69.3153.7000118.5
530A31.5Very low34.3Very low89 Ų89142.2 Ų142.274%0.73680%0.795SS**  trans-93.1162.1177.700000113.6
531K32.1Very low33.8Very low215 Ų215141.5 Ų141.594%0.93579%0.792SS**  trans-149.3143.9135.9-114.1167.8-175.5176.40109.9
532A32.5Very low34.7Very low99 Ų99142.4 Ų142.482%0.81880%0.796SS**  trans-102.1152-165.500000113.3
533A30.1Very low34.5Very low87 Ų87142.4 Ų142.472%0.71980%0.802SS**  trans-161.6105.6143.400000111.2
534N31.1Very low34.6Very low168 Ų168140.1 Ų140.190%0.89880%0.803SS**  trans40.7119.8136.5-45.5-14.1000120.2
535G32.4Very low34.6Very low77 Ų77134.1 Ų134.179%0.79480%0.797SS**  trans159.898.6154.700000117.9
536S35.8Very low34.7Very low118 Ų118135.9 Ų135.983%0.82581%0.805SS**  trans30.1130154.5-156.30000121.9
537L36.8Very low34.9Very low155 Ų155134.2 Ų134.281%0.81280%0.802SS**  trans-66.1148.5156.8-69.476.4000110.9
538P40.6Very low35Very low129 Ų129134.1 Ų134.184%0.83881%0.812SS**  trans-79.1150153.933.3-31.9000111
539R33.8Very low35.2Very low239 Ų239129.9 Ų129.990%0.90281%0.808SS**  trans-104.2158-173.3-177.3173.8170.6-170.5-2111.7
540S35.8Very low35.6Very low99 Ų99129.2 Ų129.269%0.69281%0.806SS**  trans-29.5142.9178.356.40000118.4
541S36.6Very low36.1Very low101 Ų101130 Ų13071%0.70680%0.801SS**  trans-67.2163.2163.655.40000113.7
542P46.6Very low36.4Very low125 Ų125127.4 Ų127.481%0.81280%0.796SS**  trans-91.9174.3150.936-30.6000112
543V34.1Very low36.9Very low137 Ų137128 Ų12883%0.8379%0.792SS**  trans-132.8163.2-172.4161.10000110.1
544A34.8Very low36.9Very low100 Ų100131.6 Ų131.683%0.82680%0.796SS**  trans74.6149.6178.300000115.6
545G34.5Very low37.4Very low70 Ų70133.1 Ų133.172%0.72279%0.789SS**  cis142.688.7-5.600000112.1
546L35.1Very low37.4Very low172 Ų172138.4 Ų138.490%0.90179%0.793SS**  trans-137.5149.2179-78.4173.2000111.4
547T40.4Very low37.6Very low128 Ų128139.6 Ų139.679%0.78579%0.79SS**  trans-80.1133.4176.540.90000111V549T547-V549 PolarHBondContact O-N 3.17Å
548T34.9Very low37.4Very low144 Ų144138.2 Ų138.288%0.88379%0.788SS**  trans-78.998.4173.950.30000110.3
549V36.9Very low37Very low118 Ų118143.7 Ų143.772%0.71579%0.792SS**  trans-77.5126.5156-178.50000107.1T547 V551T547-V549 PolarHBondContact O-N 3.17Å; V549-V551 HydrophobicContact CG1-CG2 3.91Å
550D41.6Very low36.7Very low144 Ų144138 Ų13877%0.7779%0.789SS**  trans-74.9123.5174.5-173.912.1000109.7
551V42.2Very low36.4Very low106 Ų106140.6 Ų140.664%0.64280%0.795SS**  trans-140.286.6179.6-171.30000109.3V549 P553V549-V551 HydrophobicContact CG1-CG2 3.91Å; V551-P553 HydrophobicContact CG1-CG 4.03Å; V551-P553 WeakPolarHBondContact O-CD 3.15Å
552L38.4Very low36.1Very low159 Ų159144.6 Ų144.683%0.83280%0.803SS**  trans-98.7101.8155.8-75.7175.4000109.2M554L552-M554 PolarHBondContact O-N 3.4Å
553P43.1Very low35.3Very low112 Ų112147.1 Ų147.173%0.72780%0.804SS**  trans-73.6123.2165.9-1028.1000108.8V551V551-P553 HydrophobicContact CG1-CG 4.03Å; V551-P553 WeakPolarHBondContact O-CD 3.15Å
554M30.3Very low35.2Very low162 Ų162146 Ų14680%0.79880%0.797SS**  trans-80.9126.6171.7-117.218045.200110.1L552L552-M554 PolarHBondContact O-N 3.4Å
555R41.5Very low35Very low201 Ų201148 Ų14876%0.75880%0.799SS**  trans43.6122.7148-59.8175176-118.22.2119.1
556E31Very low34.8Very low187 Ų187151.3 Ų151.387%0.87480%0.8SS**  trans-129.7130.8146.8-65.1-173.2174.800109.6
557D40.7Very low34.8Very low144 Ų144154.4 Ų154.477%0.7780%0.801SS**  trans-100.2106.8175.5-76.5-67000108.5
558V32.8Very low34.3Very low126 Ų126159.2 Ų159.276%0.76481%0.805SS**  trans-134.6134.3174.5-177.70000110.4
559W31.9Very low34Very low243 Ų243156.9 Ų156.992%0.9280%0.795SS**  trans-120.2136.7172.9-78.743.1000109.6
560S28.6Very low33.8Very low121 Ų121159.1 Ų159.185%0.84680%0.802SS**  trans-178.6152158.4-74.30000108.2
561D28Very low33.4Very low153 Ų153161.6 Ų161.682%0.81881%0.806SS**  cis-159.5-172.1-36.5-156.8-13.2000106.5
562E30.7Very low33.3Very low184 Ų184162.3 Ų162.386%0.8681%0.813SS**  trans75.4141.3177.2-50.8-179.3169.700114.8
563E29.7Very low33.3Very low179 Ų179160.5 Ų160.584%0.83681%0.811SS**  cis-136.9139.75.8-164.8-178.5-173.100113.7
564V31.3Very low32.9Very low114 Ų114164.7 Ų164.769%0.69182%0.817SS**  trans-3128.6161.9-1770000120.9
565T32.1Very low33.1Very low142 Ų142163.1 Ų163.187%0.87182%0.819SS**  -161.1138.81208.80000113.1
566D30.1Very low32.5Very low138 Ų138158.9 Ų158.974%0.73882%0.821SS**  trans-67.9152.6-177.6-84.3-72.5000114.6
567Y34.1Very low32.6Very low237 Ų237160.3 Ų160.393%0.92982%0.818SS**  -154.4144.5119.1-99.2-65.5000113
568R29.8Very low32.1Very low229 Ų229163.2 Ų163.286%0.86482%0.824SS**  trans-75.4122-160.3172.6177.2-77.9-178.3-5.7115.7
569S28.8Very low32.1Very low95 Ų95165.6 Ų165.666%0.66483%0.826SS**  trans31.4133.1134.6-164.90000121.5
570L32.8Very low32.1Very low166 Ų166163.4 Ų163.487%0.86983%0.826SS**  -174.4144.5114.2-97.9167.4000113.2
571K32.7Very low32.1Very low196 Ų196163.3 Ų163.385%0.85283%0.826SS**  trans-144.2134.9170.2-83.7-178.5180166.60111.1
572P41.5Very low32.4Very low121 Ų121161.8 Ų161.879%0.78683%0.827SS**PPolyproline II helixtrans-89.6163.4159.4-7.426.8000112.5
573P36.9Very low32.5Very low121 Ų121162.3 Ų162.379%0.78683%0.829SS**PPolyproline II helixtrans-101.1169.4-16338.7-37.1000116.2
574K36.4Very low32.7Very low199 Ų199164.1 Ų164.187%0.86583%0.829SS**PPolyproline II helixtrans-79137.3161.3-62.8174.1-179.6173.80110.2
575P34Very low32.7Very low130 Ų130168.1 Ų168.184%0.84484%0.839SS**PPolyproline II helixtrans-72.8158.6159.332.5-33.5000110.4
576S29Very low32.8Very low112 Ų112170.1 Ų170.178%0.78384%0.836SS**  trans-131.4160.3-178.169.80000113
577R33.7Very low32.9Very low217 Ų217168.2 Ų168.282%0.81984%0.839SS**  trans53.9116152.4-171.2-179.3-173.2-170.92.9118.1
578K30.2Very low33.1Very low205 Ų205164.8 Ų164.889%0.89184%0.837SS**  -155130.4119.1-106.2154.1-171.4178.70111.1
579Q32.2Very low33.4Very low175 Ų175158.5 Ų158.582%0.81883%0.834SS**  trans-87.3145.1161.4-68.8167.1-50.500107.5
580Q31.3Very low33.9Very low197 Ų197158.4 Ų158.492%0.92184%0.839SS**  trans-129.1128.9152.7-76.3-175.7-64.600107.8
581S29.4Very low34.6Very low120 Ų120156 Ų15684%0.83983%0.833SS**  trans-88.9139.7170.541.70000109.5
582S32.9Very low35.1Very low120 Ų120152.2 Ų152.284%0.83983%0.829SS**  trans-138.9154.5166.3-720000108.7
583Q33.5Very low35.2Very low195 Ų195150.7 Ų150.791%0.91183%0.826SS**  trans-84.6164.3-152.4-70.6166.5-49.600115.6
584R33.5Very low35.6Very low217 Ų217152.8 Ų152.882%0.81983%0.831SS**  trans-37136.2166.9-68.6169.3164.7-176.8-2.7113.3
585H32.4Very low35.8Very low198 Ų198153.3 Ų153.392%0.91783%0.827SS**  -129.6132.4123.9-79.4-83.8000109
586K32.8Very low36.6Very low185 Ų185154.9 Ų154.980%0.80483%0.827SS**  trans-91130.2168.5-79.6-172.1174.8-173.90108.3
587A32.4Very low37.5Very low97 Ų97158.3 Ų158.380%0.80283%0.831SS**  trans-134.3127.7158.700000107.7A589A587-A589 PolarHBondContact O-N 3.13Å
588N38.7Very low38.1Very low166 Ų166150.6 Ų150.689%0.88882%0.819SS**  trans-83.9114.9-178.4-70.8-16.8000109.7
589A36.6Very low39.3Very low96 Ų96145 Ų14579%0.79380%0.802SS**  trans-142.3115.8164.300000108.8A587A587-A589 PolarHBondContact O-N 3.13Å
590A39.9Very low40.1Very low94 Ų94145.7 Ų145.778%0.77781%0.808SS**PPolyproline II helixtrans-77.8140.6173.100000109.7
591P47.2Very low41.2Very low114 Ų114146.7 Ų146.774%0.7480%0.803SS**PPolyproline II helixtrans-64.4140.6172.528.1-33.9000109.9A593P591-A593 PolarHBondContact O-N 3.12Å; P591-A593 VanDerWaalsContact O-N 3.13Å
592P43.4Very low42Very low117 Ų117144.5 Ų144.576%0.7678%0.782SS**PPolyproline II helixtrans-64.1117.3-178.125.4-33.6000110.5N594P592-N594 PolarHBondContact O-N 2.87Å
593A42.3Very low43.2Very low89 Ų89142.5 Ų142.574%0.73677%0.773SS**  trans-74.3106.7176.200000109.7P591 R595P591-A593 PolarHBondContact O-N 3.12Å; P591-A593 VanDerWaalsContact O-N 3.13Å; A593-R595 PolarHBondContact O-N 2.81Å
594N45Very low44.3Very low166 Ų166140.9 Ų140.989%0.88877%0.765SS**  trans-69.761.6167.6-74.9-19000110.8P592P592-N594 PolarHBondContact O-N 2.87Å
595R42.3Very low45.1Very low209 Ų209137.7 Ų137.779%0.78976%0.757SS**  trans-88.1109.2179-176.2179.1-173.1174.73.1108.2A593 Q597A593-R595 PolarHBondContact O-N 2.81Å; R595-Q597 PolarHBondContact O-N 3.11Å
596I49.7Very low46.3Very low163 Ų163135 Ų13584%0.83675%0.745SS**  trans-59.4109.1176.3-60.1173000108.8G598I596-G598 PolarHBondContact O-N 2.86Å; I596-G598 VanDerWaalsContact O-N 3.08Å
597Q48.6Very low47.3Very low184 Ų184132.9 Ų132.986%0.8674%0.738SS**  trans-84.865.2176.3-66-167.92.500110.7R595R595-Q597 PolarHBondContact O-N 3.11Å
598G44.9Very low47.9Very low55 Ų55136.1 Ų136.157%0.56774%0.742SS**  trans-92.7118.1169.900000110.7I596I596-G598 PolarHBondContact O-N 2.86Å; I596-G598 VanDerWaalsContact O-N 3.08Å
599T56Low48.4Very low89 Ų89131.8 Ų131.855%0.54674%0.736SS.*  trans-93.3148.2165.474.70000109.7R601 N602T599-R601 PolarHBondContact O-N 2.73Å; T599-N602 PolarHBondContact O-N 2.85Å
600M49.2Very low48.8Very low189 Ų189135 Ų13593%0.93174%0.74SS**THydrogen-bonded Turntrans-73.941.5175.8-62.1-164.6-59.700113
601R54.7Low49Very low218 Ų218139.6 Ų139.682%0.82375%0.75SS**THydrogen-bonded Turntrans-128.4-8176-66.9-176.6175.9167-1.3113.1T599 A603T599-R601 PolarHBondContact O-N 2.73Å; R601-A603 PolarHBondContact O-N 3.04Å
602N46.9Very low48.6Very low74 Ų74137 Ų13740%0.39675%0.745SS.*  trans-70.1119.3173-66.215.5000109.7T599 E604 F605T599-N602 PolarHBondContact O-N 2.85Å; N602-E604 PolarHBondContact O-N 3.43Å; N602-E604 VanDerWaalsContact O-N 3.15Å; N602-F605 HydrophobicContact CB-CD2 3.96Å; N602-F605 PolarHBondContact O-N 3.21Å; N602-F605 VanDerWaalsContact O-N 3.11Å
603A57.4Low48.5Very low78 Ų78138.5 Ų138.565%0.64575%0.745SS**G310 helixtrans-59.3-28.9-173.300000114R601 F605 Q606R601-A603 PolarHBondContact O-N 3.04Å; A603-F605 PolarHBondContact O-N 3.14Å; A603-F605 VanDerWaalsContact O-N 3.16Å; A603-Q606 PolarHBondContact O-N 2.9Å
604E55.6Low48Very low161 Ų161143.3 Ų143.375%0.75275%0.75SS**G310 helixtrans-58.1-27.9177.7-58.3179.5147.100113.1N602 H607N602-E604 PolarHBondContact O-N 3.43Å; N602-E604 VanDerWaalsContact O-N 3.15Å; E604-H607 PolarHBondContact O-CE1 3.41Å; E604-H607 PolarHBondContact O-ND1 2.89Å
605F51.9Low47.5Very low149 Ų149147 Ų14765%0.65475%0.751SS**G310 helixtrans-92.4-1.3179.5-65.7-92.5000113.3N602 A603 H607N602-F605 HydrophobicContact CB-CD2 3.96Å; N602-F605 PolarHBondContact O-N 3.21Å; N602-F605 VanDerWaalsContact O-N 3.11Å; A603-F605 PolarHBondContact O-N 3.14Å; A603-F605 VanDerWaalsContact O-N 3.16Å; F605-H607 PolarHBondContact O-N 2.86Å
606Q57.5Low47.5Very low143 Ų143142.2 Ų142.267%0.66875%0.747SS**  trans-89.868.2178.2-65.1-168.9-1.700112A603A603-Q606 PolarHBondContact O-N 2.9Å
607H53.6Low46.9Very low140 Ų140142 Ų14265%0.64874%0.743SS**  trans-127.449.3176.553.7-98.3000113.4E604 F605E604-H607 PolarHBondContact O-CE1 3.41Å; E604-H607 PolarHBondContact O-ND1 2.89Å; F605-H607 PolarHBondContact O-N 2.86Å
608N45.4Very low46.8Very low165 Ų165140.5 Ų140.588%0.88274%0.74SS**SBendtrans-161.8131.9155.6-96-45.2000112.4
609G49.2Very low46.3Very low75 Ų75147.6 Ų147.677%0.77376%0.755SS**  trans70.37015100000119.3
610N44.1Very low45.5Very low162 Ų162148.6 Ų148.687%0.86676%0.761SS**  trans-149.286.5156.9-118.5-14.9000112
611L44.4Very low44.9Very low191 Ų191147 Ų147100%176%0.756SS**  trans-137.173.8166.1-77.9-179.6000108.4
612G38.5Very low44.3Very low61 Ų61141.8 Ų141.863%0.62975%0.75SS**  trans-126.3110179.700000111.8
613I40.4Very low44Very low148 Ų148146.9 Ų146.976%0.75977%0.771SS**SBendtrans72.1142.8162.3-30.4-177.2000116.4
614F33.1Very low43.2Very low190 Ų190147.7 Ų147.783%0.83377%0.773SS**  trans69.693.4171.8-60.1-65.1000120
615R33.2Very low42.5Very low242 Ų242147.3 Ų147.391%0.91378%0.776SS**  -130.1147.2116.9-107.7-165.1174.7-128.6-1109.7
616P44Very low41.8Very low110 Ų110145.2 Ų145.271%0.71478%0.779SS**  trans-90.4168.4-176.537.4-36.2000113
617E36.4Very low41.3Very low157 Ų157143.3 Ų143.373%0.73479%0.788SS**  trans13.6112.9152.8-69.9-58.1150.200119
618L45.8Very low41.2Very low154 Ų154145.1 Ų145.181%0.80680%0.802SS**  trans-169.998.3134.7-104.7177.3000108.6
619F35.2Very low41.7Very low203 Ų203140.7 Ų140.789%0.8978%0.784SS**  trans166.5115.9138.9-86.4-56.9000109.2
620V38.8Very low42Very low110 Ų110142.4 Ų142.467%0.66778%0.775SS**  trans-126.5159.2-175.5-1780000109.1
621L35.8Very low42.5Very low157 Ų157140.5 Ų140.582%0.82277%0.765SS**  trans77.5150.3178.6-62.1110.2000117.1
622P42.1Very low43.1Very low108 Ų108136.3 Ų136.370%0.70174%0.744SS**  cis-120.2161.4-2334.8-20000113.2
623Q42.4Very low44.8Very low180 Ų180138.2 Ų138.284%0.84174%0.739SS**  trans-81.8125.1167.2-178.6174.2-1500108.8
624S39.6Very low46.4Very low96 Ų96135.5 Ų135.567%0.67172%0.722SS**  trans-136.3114.1178.161.20000111S626S624-S626 PolarHBondContact O-N 3.04Å
625D40.5Very low48.2Very low152 Ų152132.9 Ų132.981%0.81371%0.714SS**  trans-76.2112.5179.5-61.6-64.9000111.6
626S36.9Very low50.3Low105 Ų105124.6 Ų124.673%0.73469%0.693SS**  trans-150.296164.3630000110.9S624 L628S624-S626 PolarHBondContact O-N 3.04Å; S626-L628 PolarHBondContact O-N 2.98Å; S626-L628 VanDerWaalsContact O-N 3.12Å
627A48.1Very low51.7Low104 Ų104124.8 Ų124.886%0.8669%0.685SS**  trans-77.495.518000000111.6
628L51.8Low53.6Low177 Ų177122.2 Ų122.293%0.92768%0.675SS**SBendtrans-171.5142.4156.1-100.4153000111.1S626S626-L628 PolarHBondContact O-N 2.98Å; S626-L628 VanDerWaalsContact O-N 3.12Å
629S54.8Low55.4Low72 Ų72118.6 Ų118.650%0.50366%0.663SS.*  trans69.143.6176.9-135.60000120.5N631 D632S629-N631 PolarHBondContact O-N 3.03Å; S629-D632 PolarHBondContact OG-OD2 3.32Å
630D55.3Low57Low112 Ų112112.2 Ų112.260%0.59964%0.643SS**THydrogen-bonded Turntrans-67.740.7169.7-178.438.7000114.8K634D630-K634 PolarHBondContact O-NZ 2.93Å; D630-K634 IonicContact OD1-NZ 3.05Å; D630-K634 PolarHBondContact OD1-NZ 3.05Å; D630-K634 IonicContact OD2-NZ 2.63Å; D630-K634 PolarHBondContact OD2-NZ 2.88Å
631N54.8Low58.7Low121 Ų121115.7 Ų115.765%0.64764%0.644SS**THydrogen-bonded Turntrans-126.3-38.5174.5-75.9-79.6000113S629 K634 M635S629-N631 PolarHBondContact O-N 3.03Å; N631-K634 PolarHBondContact O-N 3.03Å; N631-M635 PolarHBondContact O-N 3.34Å
632D58Low60.9Low103 Ų103111.1 Ų111.155%0.55163%0.625SS**Hα-helixtrans-68.1-39.6-177.5-60.2-59.5000111.4S629 K634 M635 S636S629-D632 PolarHBondContact OG-OD2 3.32Å; D632-K634 VanDerWaalsContact C-N 3.3Å; D632-K634 PolarHBondContact O-N 3.05Å; D632-M635 PolarHBondContact O-N 2.89Å; D632-M635 VanDerWaalsContact O-N 3.11Å; D632-S636 PolarHBondContact O-N 3.45Å; D632-S636 PolarHBondContact O-OG 2.86Å
633D73.3Confident62.4Low101 Ų101108.8 Ų108.854%0.5462%0.615SS.*Hα-helixtrans-60.8-35.3175.8-80.3-27.1000113.4M635 S636 Q637D633-M635 VanDerWaalsContact C-N 3.31Å; D633-M635 PolarHBondContact O-N 2.91Å; D633-S636 PolarHBondContact O-N 3.45Å; D633-Q637 WeakPolarHBondContact O-CB 3.42Å; D633-Q637 VanDerWaalsContact O-CG 3.23Å; D633-Q637 WeakPolarHBondContact O-CG 3.39Å; D633-Q637 PolarHBondContact O-N 3.45Å
634K74.8Confident63.7Low92 Ų92102.8 Ų102.840%0.460%0.597SS.*Hα-helixtrans-65.5-38.2177-65.9-173.3179.267.30111.2D630 N631 D632 I638D630-K634 PolarHBondContact O-NZ 2.93Å; D630-K634 IonicContact OD1-NZ 3.05Å; D630-K634 PolarHBondContact OD1-NZ 3.05Å; D630-K634 IonicContact OD2-NZ 2.63Å; D630-K634 PolarHBondContact OD2-NZ 2.88Å; N631-K634 PolarHBondContact O-N 3.03Å; D632-K634 VanDerWaalsContact C-N 3.3Å; D632-K634 PolarHBondContact O-N 3.05Å; K634-I638 WeakPolarHBondContact O-CD1 3.46Å; K634-I638 VanDerWaalsContact O-CG1 3.25Å; K634-I638 WeakPolarHBondContact O-CG1 3.49Å; K634-I638 PolarHBondContact O-N 3.37Å
635M71Confident65.4Low134 Ų134101.8 Ų101.866%0.6659%0.59SS**Hα-helixtrans-70.1-41.4173.8-72.3-63-65.100111.5N631 D632 D633 I638 S639N631-M635 PolarHBondContact O-N 3.34Å; D632-M635 PolarHBondContact O-N 2.89Å; D632-M635 VanDerWaalsContact O-N 3.11Å; D633-M635 VanDerWaalsContact C-N 3.31Å; D633-M635 PolarHBondContact O-N 2.91Å; M635-I638 PolarHBondContact O-N 2.88Å; M635-S639 WeakPolarHBondContact O-CB 3.49Å; M635-S639 PolarHBondContact O-N 3Å
636S77.1Confident67.1Low68 Ų6898.8 Ų98.848%0.47658%0.579SS.*Hα-helixtrans-62-42.8176.3-63.90000112.8D632 D633 S639 S640D632-S636 PolarHBondContact O-N 3.45Å; D632-S636 PolarHBondContact O-OG 2.86Å; D633-S636 PolarHBondContact O-N 3.45Å; S636-S639 WeakPolarHBondContact O-CB 3.32Å; S636-S639 PolarHBondContact O-N 3.21Å; S636-S640 PolarHBondContact O-N 2.72Å; S636-S640 PolarHBondContact O-OG 2.8Å
637Q73.6Confident69.2Low115 Ų11597.7 Ų97.754%0.53757%0.572SS.*Hα-helixtrans-65.8-36.2174.9-71.8174.226.700112.6D633 S640 R641D633-Q637 WeakPolarHBondContact O-CB 3.42Å; D633-Q637 VanDerWaalsContact O-CG 3.23Å; D633-Q637 WeakPolarHBondContact O-CG 3.39Å; D633-Q637 PolarHBondContact O-N 3.45Å; Q637-S640 PolarHBondContact O-OG 2.92Å; Q637-R641 WeakPolarHBondContact O-CB 3.48Å; Q637-R641 WeakPolarHBondContact O-CD 3.47Å; Q637-R641 WeakPolarHBondContact O-CG 3.42Å; Q637-R641 PolarHBondContact O-N 3.48Å
638I76.1Confident70.8Confident102 Ų10299.1 Ų99.152%0.52356%0.562SS.*Hα-helixtrans-69.5-40173.8-68.8165.7000110K634 M635 S642K634-I638 WeakPolarHBondContact O-CD1 3.46Å; K634-I638 VanDerWaalsContact O-CG1 3.25Å; K634-I638 WeakPolarHBondContact O-CG1 3.49Å; K634-I638 PolarHBondContact O-N 3.37Å; M635-I638 PolarHBondContact O-N 2.88Å; I638-S642 VanDerWaalsContact O-CB 3.31Å; I638-S642 WeakPolarHBondContact O-CB 3.21Å; I638-S642 PolarHBondContact O-N 3.2Å; I638-S642 PolarHBondContact O-OG 2.99Å
639S82.9Confident72.3Confident79 Ų7993.6 Ų93.655%0.55254%0.542SS*.Hα-helixtrans-62.7-50.8177.9-169.60000111.7M635 S636 R641 S642 A643M635-S639 WeakPolarHBondContact O-CB 3.49Å; M635-S639 PolarHBondContact O-N 3Å; S636-S639 WeakPolarHBondContact O-CB 3.32Å; S636-S639 PolarHBondContact O-N 3.21Å; S639-R641 PolarHBondContact O-N 2.89Å; S639-S642 WeakPolarHBondContact O-CB 3.45Å; S639-S642 PolarHBondContact O-N 3.39Å; S639-S642 VanDerWaalsContact O-N 3.11Å; S639-A643 PolarHBondContact O-N 3.17Å
640S69.8Low73.8Confident69 Ų6994 Ų9448%0.48355%0.545SS..Hα-helixtrans-63.1-41.5179.864.70000112.7S636 Q637 S642 A643 A644S636-S640 PolarHBondContact O-N 2.72Å; S636-S640 PolarHBondContact O-OG 2.8Å; Q637-S640 PolarHBondContact O-OG 2.92Å; S640-S642 VanDerWaalsContact C-N 3.32Å; S640-S642 PolarHBondContact O-N 2.89Å; S640-A643 PolarHBondContact O-N 3.26Å; S640-A644 WeakPolarHBondContact O-CB 3.32Å; S640-A644 PolarHBondContact O-N 2.79Å
641R74.4Confident75.5Confident183 Ų18393.1 Ų93.169%0.69154%0.537SS*.Hα-helixtrans-64.9-35.2173.5-69.3172.2701695.7112.4Q637 S639 S645Q637-R641 WeakPolarHBondContact O-CB 3.48Å; Q637-R641 WeakPolarHBondContact O-CD 3.47Å; Q637-R641 WeakPolarHBondContact O-CG 3.42Å; Q637-R641 PolarHBondContact O-N 3.48Å; S639-R641 PolarHBondContact O-N 2.89Å; R641-S645 WeakPolarHBondContact O-CB 3.44Å; R641-S645 PolarHBondContact O-N 3.21Å; R641-S645 PolarHBondContact O-OG 2.88Å
642S81.2Confident77.2Confident60 Ų6091.7 Ų91.742%0.4253%0.533SS..Hα-helixtrans-69-43.9174.7-58.50000111.2I638 S639 S640 S645 C646I638-S642 VanDerWaalsContact O-CB 3.31Å; I638-S642 WeakPolarHBondContact O-CB 3.21Å; I638-S642 PolarHBondContact O-N 3.2Å; I638-S642 PolarHBondContact O-OG 2.99Å; S639-S642 WeakPolarHBondContact O-CB 3.45Å; S639-S642 PolarHBondContact O-N 3.39Å; S639-S642 VanDerWaalsContact O-N 3.11Å; S640-S642 VanDerWaalsContact C-N 3.32Å; S640-S642 PolarHBondContact O-N 2.89Å; S642-S645 PolarHBondContact O-N 2.89Å; S642-C646 WeakPolarHBondContact O-CB 3.41Å; S642-C646 PolarHBondContact O-N 2.87Å; S642-C646 PolarHBondContact O-SG 2.75Å; S642-C646 VanDerWaalsContact O-SG 3.35Å
643A74.1Confident78.8Confident60 Ų6091.4 Ų91.450%0.49653%0.53SS..Hα-helixtrans-61.6-45.4176.200000112S639 S640 S645 C646 S647S639-A643 PolarHBondContact O-N 3.17Å; S640-A643 PolarHBondContact O-N 3.26Å; A643-S645 PolarHBondContact O-N 3.21Å; A643-C646 PolarHBondContact O-N 2.88Å; A643-S647 WeakPolarHBondContact O-CB 3.48Å; A643-S647 PolarHBondContact O-N 3.48Å
644A69.9Low79.6Confident54 Ų5487.8 Ų87.845%0.44652%0.517SS..Hα-helixtrans-60.1-43.517400000112.1S640 C646 S647 M648S640-A644 WeakPolarHBondContact O-CB 3.32Å; S640-A644 PolarHBondContact O-N 2.79Å; A644-C646 PolarHBondContact O-N 2.78Å; A644-S647 WeakPolarHBondContact O-CB 3.47Å; A644-S647 PolarHBondContact O-N 3.36Å; A644-M648 PolarHBondContact O-N 3.43Å
645S74.9Confident80.4Confident75 Ų7589.5 Ų89.552%0.52452%0.521SS..Hα-helixtrans-62.6-42.5176.8-58.30000112.1R641 S642 A643 A649R641-S645 WeakPolarHBondContact O-CB 3.44Å; R641-S645 PolarHBondContact O-N 3.21Å; R641-S645 PolarHBondContact O-OG 2.88Å; S642-S645 PolarHBondContact O-N 2.89Å; A643-S645 PolarHBondContact O-N 3.21Å; S645-A649 WeakPolarHBondContact O-CB 3.43Å; S645-A649 PolarHBondContact O-N 2.99Å
646C77.1Confident81.3Confident88 Ų8885.6 Ų85.660%0.59551%0.51SS*.Hα-helixtrans-66.4-37175.4-72.10000112.5S642 A643 A644 A649 S650S642-C646 WeakPolarHBondContact O-CB 3.41Å; S642-C646 PolarHBondContact O-N 2.87Å; S642-C646 PolarHBondContact O-SG 2.75Å; S642-C646 VanDerWaalsContact O-SG 3.35Å; A643-C646 PolarHBondContact O-N 2.88Å; A644-C646 PolarHBondContact O-N 2.78Å; C646-A649 PolarHBondContact O-N 3.01Å; C646-S650 WeakPolarHBondContact O-CB 3.14Å; C646-S650 PolarHBondContact O-N 3.29Å
647S80.1Confident81.8Confident82 Ų8287.3 Ų87.357%0.57351%0.511SS*.Hα-helixtrans-62.6-50.3174.8-171.20000111.2A643 A644 A649 S650 E651A643-S647 WeakPolarHBondContact O-CB 3.48Å; A643-S647 PolarHBondContact O-N 3.48Å; A644-S647 WeakPolarHBondContact O-CB 3.47Å; A644-S647 PolarHBondContact O-N 3.36Å; S647-A649 VanDerWaalsContact C-N 3.34Å; S647-A649 PolarHBondContact O-N 2.98Å; S647-S650 WeakPolarHBondContact O-CB 3.48Å; S647-S650 PolarHBondContact O-N 2.87Å; S647-E651 PolarHBondContact O-N 2.85Å
648M81.2Confident82.5Confident134 Ų13488.3 Ų88.366%0.6651%0.51SS*.Hα-helixtrans-60.3-40.7174.5-69.2-177.471.100112.5A644 S650 E651 V652A644-M648 PolarHBondContact O-N 3.43Å; M648-S650 VanDerWaalsContact C-N 3.35Å; M648-E651 PolarHBondContact O-N 3.32Å; M648-V652 WeakPolarHBondContact O-CG2 3.21Å; M648-V652 PolarHBondContact O-N 3.12Å
649A84.7Confident83Confident61 Ų6191.9 Ų91.950%0.50452%0.516SS..Hα-helixtrans-64.5-38.5176.600000112.3S645 C646 S647 L653S645-A649 WeakPolarHBondContact O-CB 3.43Å; S645-A649 PolarHBondContact O-N 2.99Å; C646-A649 PolarHBondContact O-N 3.01Å; S647-A649 VanDerWaalsContact C-N 3.34Å; S647-A649 PolarHBondContact O-N 2.98Å; A649-L653 WeakPolarHBondContact O-CB 3.37Å; A649-L653 PolarHBondContact O-N 3.23Å
650S85.8Confident83.2Confident80 Ų8094.8 Ų94.856%0.55952%0.519SS*.Hα-helixtrans-63.5-43173-169.30000111.4C646 S647 M648 L653 G654C646-S650 WeakPolarHBondContact O-CB 3.14Å; C646-S650 PolarHBondContact O-N 3.29Å; S647-S650 WeakPolarHBondContact O-CB 3.48Å; S647-S650 PolarHBondContact O-N 2.87Å; M648-S650 VanDerWaalsContact C-N 3.35Å; S650-L653 WeakPolarHBondContact O-CB 3.44Å; S650-L653 PolarHBondContact O-N 2.93Å; S650-G654 PolarHBondContact O-N 3.09Å
651E90.1Very high83.8Confident94 Ų9498.1 Ų98.144%0.43953%0.527SS..Hα-helixtrans-65.5-42.7177.8-148.5-138.8147.200112.1S647 M648 L653 G654 R655S647-E651 PolarHBondContact O-N 2.85Å; M648-E651 PolarHBondContact O-N 3.32Å; E651-L653 VanDerWaalsContact C-N 3.33Å; E651-L653 PolarHBondContact O-N 3.35Å; E651-G654 PolarHBondContact O-N 3.08Å; E651-R655 VanDerWaalsContact CD-NH2 3.28Å; E651-R655 VanDerWaalsContact O-CG 3.31Å; E651-R655 WeakPolarHBondContact O-CG 3.39Å; E651-R655 PolarHBondContact O-N 3.23Å; E651-R655 IonicContact OE1-CZ 3.12Å; E651-R655 IonicContact OE1-NE 2.75Å; E651-R655 PolarHBondContact OE1-NE 2.85Å; E651-R655 IonicContact OE1-NH2 2.68Å; E651-R655 PolarHBondContact OE1-NH2 3.27Å; E651-R655 IonicContact OE2-CZ 3.74Å; E651-R655 IonicContact OE2-NE 3.77Å; E651-R655 IonicContact OE2-NH2 3.14Å; E651-R655 PolarHBondContact OE2-NH2 3.33Å; E651-R655 VanDerWaalsContact OE2-NH2 3.14Å
652V92.2Very high84.3Confident92 Ų9295.5 Ų95.556%0.55852%0.523SS*.Hα-helixtrans-61.7-40.6173.7169.40000111.1M648 R655 A656M648-V652 WeakPolarHBondContact O-CG2 3.21Å; M648-V652 PolarHBondContact O-N 3.12Å; V652-R655 PolarHBondContact O-N 3.12Å; V652-A656 WeakPolarHBondContact O-CB 3.5Å; V652-A656 PolarHBondContact O-N 2.94Å
653L90.9Very high84.1Confident96 Ų96100.1 Ų100.150%0.50354%0.536SS..Hα-helixtrans-63.4-43.7173.9179.961.2000111.5A649 S650 E651 A656 Q657A649-L653 WeakPolarHBondContact O-CB 3.37Å; A649-L653 PolarHBondContact O-N 3.23Å; S650-L653 WeakPolarHBondContact O-CB 3.44Å; S650-L653 PolarHBondContact O-N 2.93Å; E651-L653 VanDerWaalsContact C-N 3.33Å; E651-L653 PolarHBondContact O-N 3.35Å; L653-A656 PolarHBondContact O-N 3.36Å; L653-Q657 HydrophobicContact CD1-CG 4.28Å; L653-Q657 HydrophobicContact CG-CG 4.49Å; L653-Q657 WeakPolarHBondContact O-CB 3.41Å; L653-Q657 VanDerWaalsContact O-CG 3.31Å; L653-Q657 WeakPolarHBondContact O-CG 3.42Å; L653-Q657 PolarHBondContact O-N 2.96Å
654G90Very high84.4Confident26 Ų26106.3 Ų106.327%0.26855%0.546SS..Hα-helixtrans-65-36.8176.100000113.5S650 E651 R658S650-G654 PolarHBondContact O-N 3.09Å; E651-G654 PolarHBondContact O-N 3.08Å; G654-R658 PolarHBondContact O-N 3.16Å
655R90.8Very high84.3Confident128 Ų128105.7 Ų105.748%0.48355%0.545SS..Hα-helixtrans-65.8-40.8170.8-69.5173-176.3-157.39.4111.5E651 V652 R659E651-R655 VanDerWaalsContact CD-NH2 3.28Å; E651-R655 VanDerWaalsContact O-CG 3.31Å; E651-R655 WeakPolarHBondContact O-CG 3.39Å; E651-R655 PolarHBondContact O-N 3.23Å; E651-R655 IonicContact OE1-CZ 3.12Å; E651-R655 IonicContact OE1-NE 2.75Å; E651-R655 PolarHBondContact OE1-NE 2.85Å; E651-R655 IonicContact OE1-NH2 2.68Å; E651-R655 PolarHBondContact OE1-NH2 3.27Å; E651-R655 IonicContact OE2-CZ 3.74Å; E651-R655 IonicContact OE2-NE 3.77Å; E651-R655 IonicContact OE2-NH2 3.14Å; E651-R655 PolarHBondContact OE2-NH2 3.33Å; E651-R655 VanDerWaalsContact OE2-NH2 3.14Å; V652-R655 PolarHBondContact O-N 3.12Å; R655-R659 WeakPolarHBondContact O-CG 3.48Å; R655-R659 PolarHBondContact O-N 2.96Å
656A90.4Very high83.5Confident52 Ų52111.9 Ų111.943%0.4356%0.563SS.*Hα-helixtrans-70.2-36.3177.200000113V652 L653 K660V652-A656 WeakPolarHBondContact O-CB 3.5Å; V652-A656 PolarHBondContact O-N 2.94Å; L653-A656 PolarHBondContact O-N 3.36Å; A656-K660 WeakPolarHBondContact O-CB 3.48Å; A656-K660 PolarHBondContact O-N 2.91Å
657Q87.7Confident82Confident103 Ų103116.8 Ų116.848%0.48160%0.598SS.*Hα-helixtrans-66.7-42.2173.9-75178.18.400111.6L653 K660 Q661L653-Q657 HydrophobicContact CD1-CG 4.28Å; L653-Q657 HydrophobicContact CG-CG 4.49Å; L653-Q657 WeakPolarHBondContact O-CB 3.41Å; L653-Q657 VanDerWaalsContact O-CG 3.31Å; L653-Q657 WeakPolarHBondContact O-CG 3.42Å; L653-Q657 PolarHBondContact O-N 2.96Å; Q657-K660 WeakPolarHBondContact O-CB 3.38Å; Q657-K660 PolarHBondContact O-N 2.86Å; Q657-Q661 WeakPolarHBondContact O-CG 3.15Å; Q657-Q661 PolarHBondContact O-N 3.08Å
658R87.9Confident82.1Confident137 Ų137118.5 Ų118.552%0.51760%0.599SS.*Hα-helixtrans-59.7-50.9171.9-82.4-173.1-75.8174.2-5.8112.1G654 K660 Q661 E662G654-R658 PolarHBondContact O-N 3.16Å; R658-K660 PolarHBondContact O-N 2.83Å; R658-K660 VanDerWaalsContact O-N 3.15Å; R658-Q661 CarbonylContact O-C 3.53Å; R658-Q661 WeakPolarHBondContact O-CA 3.28Å; R658-Q661 WeakPolarHBondContact O-CB 3.49Å; R658-Q661 PolarHBondContact O-N 3.17Å; R658-E662 VanDerWaalsContact O-CG 3.3Å; R658-E662 WeakPolarHBondContact O-CG 3.16Å; R658-E662 PolarHBondContact O-N 2.82Å
659R86.6Confident82.2Confident176 Ų176117.7 Ų117.766%0.66460%0.596SS**Hα-helixtrans-55.3-35.3173.1-72.7177.1-177.1169.1-0.9113.9R655 E662 F663R655-R659 WeakPolarHBondContact O-CG 3.48Å; R655-R659 PolarHBondContact O-N 2.96Å; R659-E662 WeakPolarHBondContact CA-OE2 3.36Å; R659-F663 WeakPolarHBondContact O-CB 3.32Å; R659-F663 PolarHBondContact O-N 2.6Å
660K86.6Confident82Confident141 Ų141120.8 Ų120.861%0.61360%0.601SS**Hα-helixtrans-69-40.5173.7-174.1-173173.7-172.20111.7A656 Q657 R658 W664A656-K660 WeakPolarHBondContact O-CB 3.48Å; A656-K660 PolarHBondContact O-N 2.91Å; Q657-K660 WeakPolarHBondContact O-CB 3.38Å; Q657-K660 PolarHBondContact O-N 2.86Å; R658-K660 PolarHBondContact O-N 2.83Å; R658-K660 VanDerWaalsContact O-N 3.15Å; K660-W664 WeakPolarHBondContact O-CB 3.4Å; K660-W664 VanDerWaalsContact O-CD1 3.3Å; K660-W664 PolarHBondContact O-N 3.16Å
661Q84.1Confident81.8Confident138 Ų138123.2 Ų123.265%0.64560%0.603SS**Hα-helixtrans-70.9-29.9176.3-72.1169.6-11.400112.6Q657 R658 G665Q657-Q661 WeakPolarHBondContact O-CG 3.15Å; Q657-Q661 PolarHBondContact O-N 3.08Å; R658-Q661 CarbonylContact O-C 3.53Å; R658-Q661 WeakPolarHBondContact O-CA 3.28Å; R658-Q661 WeakPolarHBondContact O-CB 3.49Å; R658-Q661 PolarHBondContact O-N 3.17Å; Q661-G665 WeakPolarHBondContact O-CA 3.06Å; Q661-G665 PolarHBondContact O-N 2.6Å
662E83.1Confident81.3Confident129 Ų129125.1 Ų125.160%0.60361%0.614SS**Hα-helixtrans-72-49172.3-68.8151.4-16100110.4R658 R659 G665R658-E662 VanDerWaalsContact O-CG 3.3Å; R658-E662 WeakPolarHBondContact O-CG 3.16Å; R658-E662 PolarHBondContact O-N 2.82Å; R659-E662 WeakPolarHBondContact CA-OE2 3.36Å; E662-G665 PolarHBondContact O-N 3.05Å
663F78.6Confident80.6Confident157 Ų157127.3 Ų127.369%0.68962%0.617SS**Hα-helixtrans-68.8-35.3-178.4-177.5-84.9000114R659R659-F663 WeakPolarHBondContact O-CB 3.32Å; R659-F663 PolarHBondContact O-N 2.6Å
664W79.5Confident79.8Confident190 Ų190129.5 Ų129.572%0.7263%0.626SS**THydrogen-bonded Turntrans-98.73.5174.1-64102.6000112.8K660K660-W664 WeakPolarHBondContact O-CB 3.4Å; K660-W664 VanDerWaalsContact O-CD1 3.3Å; K660-W664 PolarHBondContact O-N 3.16Å
665G69Low79Confident41 Ų41137.5 Ų137.542%0.42365%0.653SS.*  trans-76126.6175.300000109.5Q661 E662Q661-G665 WeakPolarHBondContact O-CA 3.06Å; Q661-G665 PolarHBondContact O-N 2.6Å; E662-G665 PolarHBondContact O-N 3.05Å
666K57.3Low78.1Confident204 Ų204138.3 Ų138.389%0.88767%0.667SS**  trans-76.8135.7162.5-63.4-179.6-179-178.50107.4
667S46.1Very low77Confident191 Ų191146.1 Ų146.1100%1.33669%0.689SS**  trans-52.30162.756.20000111.4

Retrieved 667 of 667 residues in 75.3 ms (Link to these results)