A0A087YIT5_POEFO Loading...

Secretogranin-3

AlphaFold DB , UniProt , Accession A0A087YIT5, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 483 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
1M56.6Low58.7Low228 Ų228127.6 Ų127.6100%1.12368%0.68SS**  0-28.20-72.6-75-129.100114.1
2A56.2Low59.3Low80 Ų80126.3 Ų126.366%0.66167%0.672SS**  trans-66.5-43.8-172.200000116.2K4 R5A2-K4 VanDerWaalsContact C-N 3.27Å; A2-K4 PolarHBondContact O-N 2.84Å; A2-K4 VanDerWaalsContact O-N 3.11Å; A2-R5 PolarHBondContact O-N 3.06Å
3S52.8Low59.4Low106 Ų106126.1 Ų126.174%0.74167%0.665SS**Hα-helixtrans-56.7-32.3-172.8167.70000114.8R5 V6S3-R5 VanDerWaalsContact C-N 3.29Å; S3-R5 PolarHBondContact O-N 2.75Å; S3-V6 PolarHBondContact O-N 3.15Å
4K54.3Low59.6Low187 Ų187124.1 Ų124.181%0.81365%0.654SS**Hα-helixtrans-69.8-19.4179.8-68.4-170.8176.5-174.10114.4A2A2-K4 VanDerWaalsContact C-N 3.27Å; A2-K4 PolarHBondContact O-N 2.84Å; A2-K4 VanDerWaalsContact O-N 3.11Å
5R57Low59.8Low203 Ų203121.3 Ų121.377%0.76664%0.644SS**Hα-helixtrans-88.4-29.4178.9-69-169.4176.3-169.4-1.2113A2 S3 L8 F9A2-R5 PolarHBondContact O-N 3.06Å; S3-R5 VanDerWaalsContact C-N 3.29Å; S3-R5 PolarHBondContact O-N 2.75Å; R5-L8 PolarHBondContact O-N 3.35Å; R5-F9 PolarHBondContact O-N 2.98Å
6V58.4Low59.7Low96 Ų96119.1 Ų119.158%0.58264%0.636SS**Hα-helixtrans-65.7-46.5176.4-177.80000110.7S3 L8 F9 V10S3-V6 PolarHBondContact O-N 3.15Å; V6-L8 VanDerWaalsContact C-N 3.29Å; V6-L8 PolarHBondContact O-N 2.81Å; V6-F9 PolarHBondContact O-N 2.93Å; V6-F9 VanDerWaalsContact O-N 3.14Å; V6-V10 PolarHBondContact O-N 2.97Å; V6-V10 VanDerWaalsContact O-N 3.14Å
7G58.4Low59.4Low42 Ų42118.9 Ų118.943%0.43363%0.634SS.*Hα-helixtrans-60.3-35177.400000113.8L11G7-L11 PolarHBondContact O-N 3.08Å
8L61.4Low59.1Low128 Ų128117.7 Ų117.767%0.6763%0.628SS**Hα-helixtrans-68-38.1176.2-160.783.5000112R5 V6 L11 L12R5-L8 PolarHBondContact O-N 3.35Å; V6-L8 VanDerWaalsContact C-N 3.29Å; V6-L8 PolarHBondContact O-N 2.81Å; L8-L11 PolarHBondContact O-N 3Å; L8-L12 WeakPolarHBondContact O-CB 3.34Å; L8-L12 PolarHBondContact O-N 2.88Å
9F61.3Low59Low142 Ų142117.1 Ų117.162%0.62363%0.629SS**Hα-helixtrans-68-41.2179-117.5-92.7000112.5R5 V6 L12 Q13R5-F9 PolarHBondContact O-N 2.98Å; V6-F9 PolarHBondContact O-N 2.93Å; V6-F9 VanDerWaalsContact O-N 3.14Å; F9-L12 PolarHBondContact O-N 3.38Å; F9-Q13 PolarHBondContact O-N 3.38Å
10V67.7Low58.7Low77 Ų77116.3 Ų116.347%0.46763%0.628SS.*Hα-helixtrans-65.3-40.1175.9176.70000111.2V6 L12 Q13 L14V6-V10 PolarHBondContact O-N 2.97Å; V6-V10 VanDerWaalsContact O-N 3.14Å; V10-L12 VanDerWaalsContact C-N 3.34Å; V10-Q13 PolarHBondContact O-N 2.86Å; V10-L14 HydrophobicContact CG1-CD1 4.29Å; V10-L14 PolarHBondContact O-N 3.42Å
11L62.2Low58.1Low115 Ų115115 Ų11560%0.60263%0.627SS**Hα-helixtrans-65.2-37.7175.2-123153.3000112G7 L8 L14 V15G7-L11 PolarHBondContact O-N 3.08Å; L8-L11 PolarHBondContact O-N 3Å; L11-L14 PolarHBondContact O-N 3.16Å; L11-V15 WeakPolarHBondContact O-CG2 3.23Å; L11-V15 PolarHBondContact O-N 3.2Å; L11-V15 VanDerWaalsContact O-N 3.14Å
12L65.1Low57.6Low111 Ų111111.8 Ų111.858%0.58161%0.61SS**Hα-helixtrans-65.7-43.2175.1-154.980.8000111.8L8 F9 V10 V15 V16L8-L12 WeakPolarHBondContact O-CB 3.34Å; L8-L12 PolarHBondContact O-N 2.88Å; F9-L12 PolarHBondContact O-N 3.38Å; V10-L12 VanDerWaalsContact C-N 3.34Å; L12-V15 PolarHBondContact O-N 3.32Å; L12-V16 WeakPolarHBondContact O-CG2 3.12Å; L12-V16 PolarHBondContact O-N 2.58Å
13Q60.7Low57.2Low124 Ų124113.8 Ų113.858%0.57961%0.614SS**Hα-helixtrans-63.8-40176.4-76.8-173.3-19.200112.6F9 V10 V15 V16 L17F9-Q13 PolarHBondContact O-N 3.38Å; V10-Q13 PolarHBondContact O-N 2.86Å; Q13-V15 VanDerWaalsContact C-N 3.33Å; Q13-V15 PolarHBondContact O-N 2.82Å; Q13-V16 PolarHBondContact O-N 2.95Å; Q13-L17 WeakPolarHBondContact O-CD1 3.24Å; Q13-L17 PolarHBondContact O-N 3.26Å
14L62.6Low57Low98 Ų98114.1 Ų114.151%0.51362%0.616SS.*Hα-helixtrans-65-33.5175.3-82.3165.5000113.1V10 L11 N18V10-L14 HydrophobicContact CG1-CD1 4.29Å; V10-L14 PolarHBondContact O-N 3.42Å; L11-L14 PolarHBondContact O-N 3.16Å; L14-N18 PolarHBondContact O-N 3.49Å; L14-N18 PolarHBondContact O-ND2 3.47Å
15V62.5Low56.3Low83 Ų83109.6 Ų109.650%0.50361%0.614SS.*Hα-helixtrans-69.9-43.3173.4171.20000111L11 L12 Q13 N18 V19L11-V15 WeakPolarHBondContact O-CG2 3.23Å; L11-V15 PolarHBondContact O-N 3.2Å; L11-V15 VanDerWaalsContact O-N 3.14Å; L12-V15 PolarHBondContact O-N 3.32Å; Q13-V15 VanDerWaalsContact C-N 3.33Å; Q13-V15 PolarHBondContact O-N 2.82Å; V15-N18 PolarHBondContact O-N 3.02Å; V15-V19 HydrophobicContact CG1-CG2 4.5Å; V15-V19 WeakPolarHBondContact O-CG2 3.4Å; V15-V19 PolarHBondContact O-N 3.44Å; V15-V19 VanDerWaalsContact O-N 3.1Å
16V58.8Low55.5Low86 Ų86109.6 Ų109.652%0.52162%0.62SS.*Hα-helixtrans-63.9-42.1178.3174.10000111.7L12 Q13 N18 V19 V20L12-V16 WeakPolarHBondContact O-CG2 3.12Å; L12-V16 PolarHBondContact O-N 2.58Å; Q13-V16 PolarHBondContact O-N 2.95Å; V16-N18 PolarHBondContact O-N 3.41Å; V16-V19 PolarHBondContact O-N 3.06Å; V16-V20 WeakPolarHBondContact O-CG2 3.43Å; V16-V20 PolarHBondContact O-N 3.13Å
17L53.3Low54.7Low115 Ų115110.7 Ų110.760%0.60263%0.629SS**Hα-helixtrans-60.4-45.5174.6-100.881.1000112.2Q13 V19 V20 S21Q13-L17 WeakPolarHBondContact O-CD1 3.24Å; Q13-L17 PolarHBondContact O-N 3.26Å; L17-V19 VanDerWaalsContact C-N 3.33Å; L17-V19 PolarHBondContact O-N 2.9Å; L17-V20 PolarHBondContact O-N 2.94Å; L17-S21 PolarHBondContact O-N 3.32Å; L17-S21 PolarHBondContact O-OG 3.3Å
18N54.4Low54Low98 Ų98114.9 Ų114.952%0.52465%0.646SS.*Hα-helixtrans-68.4-29.3-177.8-83.4-80.8000113.7L14 V15 V16L14-N18 PolarHBondContact O-N 3.49Å; L14-N18 PolarHBondContact O-ND2 3.47Å; V15-N18 PolarHBondContact O-N 3.02Å; V16-N18 PolarHBondContact O-N 3.41Å
19V57.7Low52.9Low106 Ų106114.7 Ų114.764%0.64265%0.652SS**Hα-helixtrans-73-35.6175.9172.10000111.6V15 V16 L17V15-V19 HydrophobicContact CG1-CG2 4.5Å; V15-V19 WeakPolarHBondContact O-CG2 3.4Å; V15-V19 PolarHBondContact O-N 3.44Å; V15-V19 VanDerWaalsContact O-N 3.1Å; V16-V19 PolarHBondContact O-N 3.06Å; L17-V19 VanDerWaalsContact C-N 3.33Å; L17-V19 PolarHBondContact O-N 2.9Å
20V52.6Low51.6Low101 Ų101114.6 Ų114.661%0.61266%0.664SS**Hα-helixtrans-76-31.3177.4177.20000111.9V16 L17 Q22 T23V16-V20 WeakPolarHBondContact O-CG2 3.43Å; V16-V20 PolarHBondContact O-N 3.13Å; L17-V20 PolarHBondContact O-N 2.94Å; V20-Q22 VanDerWaalsContact C-N 3.27Å; V20-Q22 PolarHBondContact O-N 2.85Å; V20-T23 PolarHBondContact O-OG1 2.82Å
21S47.5Very low50.2Low88 Ų88115.6 Ų115.662%0.61568%0.68SS**THydrogen-bonded Turntrans-775.3-177.5-59.70000116.2L17L17-S21 PolarHBondContact O-N 3.32Å; L17-S21 PolarHBondContact O-OG 3.3Å
22Q45.7Very low48.9Very low162 Ų162115.5 Ų115.576%0.75769%0.689SS**THydrogen-bonded Turntrans-108.73.2178.8-67.8-166.8700115.1V20 S24V20-Q22 VanDerWaalsContact C-N 3.27Å; V20-Q22 PolarHBondContact O-N 2.85Å; Q22-S24 PolarHBondContact O-N 3.37Å
23T47.9Very low47.5Very low122 Ų122114.2 Ų114.275%0.74870%0.695SS**  trans-96.756.8178.360.80000113.1V20V20-T23 PolarHBondContact O-OG1 2.82Å
24S48.4Very low46.4Very low113 Ų113115.9 Ų115.979%0.7971%0.707SS**  trans-152.862.6169.252.40000112.5Q22Q22-S24 PolarHBondContact O-N 3.37Å
25A39.2Very low45Very low91 Ų91118 Ų11875%0.75272%0.719SS**  trans-124128.9168.200000110
26F40.6Very low44.1Very low204 Ų204122.5 Ų122.590%0.89573%0.732SS**PPolyproline II helixtrans-66.2138.3179.4-76.6-94.2000111.7
27P40.7Very low43.3Very low119 Ų119125.4 Ų125.477%0.77375%0.75SS**PPolyproline II helixtrans-83.1120.4171.531.8-31.3000111.4
28T43.3Very low43.2Very low129 Ų129126 Ų12679%0.79176%0.758SS**PPolyproline II helixtrans-76.1128.5167.1-40.70000109.9T30T28-T30 PolarHBondContact O-N 3.22Å
29P39.1Very low42.4Very low124 Ų124131.7 Ų131.781%0.80577%0.774SS**  trans-83.2113.3177.931-31.9000111.9
30T33.7Very low41.7Very low141 Ų141134.5 Ų134.587%0.86579%0.785SS**  trans-81.6141.3167-53.40000110.2T28T28-T30 PolarHBondContact O-N 3.22Å
31A39.2Very low41.4Very low98 Ų98139.9 Ų139.981%0.8179%0.794SS**  trans-90.5134-174.100000114.6
32S33.5Very low41.3Very low112 Ų112144.8 Ų144.878%0.78381%0.808SS**  trans-172.9107.7152.155.10000107.6
33A35.7Very low41.3Very low85 Ų85145.2 Ų145.270%0.70281%0.814SS**  92.5116.979.400000112.3
34D37.5Very low41.3Very low158 Ų158146 Ų14685%0.84582%0.82SS**  trans62.4138.9168.1-48.8-24.6000117.7
35D33.8Very low41.3Very low143 Ų143148.7 Ų148.777%0.76582%0.819SS**  cis-150.5133.54.1-159.69.9000112.4
36K44.1Very low41.8Very low177 Ų177153.6 Ų153.677%0.7783%0.827SS**  trans43.888.5147.4-159.4177-163.7172.40122.6
37T41.3Very low42.7Very low148 Ų148150.8 Ų150.891%0.90881%0.81SS**  trans-139.7110.4130.643.70000110.7
38V51Low43.8Very low127 Ų127149.4 Ų149.477%0.7780%0.801SS**  trans-103.5105.4-179176.70000109.3
39Y38.1Very low44.1Very low218 Ų218149.1 Ų149.186%0.85579%0.794SS**SBendtrans-171.2145.4146.8-89.8-65.5000107.4
40N43Very low44.9Very low164 Ų164151.2 Ų151.288%0.87779%0.793SS**SBendtrans76.854.5-179.6-49.1-48.4000118.3
41R45.5Very low46Very low214 Ų214148.9 Ų148.981%0.80877%0.773SS**  trans-147.765.3159-162.8-172.2168.4-163-9.2113.6E45R41-E45 IonicContact NH2-OE1 2.87Å
42Q45.8Very low46.8Very low191 Ų191149.6 Ų149.689%0.89376%0.759SS**  trans-160.298.4168.6-109.7163.66.800109
43L46.6Very low47.9Very low171 Ų171149.4 Ų149.490%0.89575%0.748SS**SBendtrans-1724.1165.3-108.5162.4000114.9
44T47.1Very low49Very low140 Ų140148.4 Ų148.486%0.85974%0.74SS**SBendtrans-138.829.6-171.634.70000115.6
45E48Very low49.9Very low168 Ų168146.3 Ų146.379%0.78573%0.725SS**  trans-127.8102.4168.3-71.9179.2-155.100109.8R41R41-E45 IonicContact NH2-OE1 2.87Å
46E50.7Low50.8Low195 Ų195142.5 Ų142.591%0.91171%0.714SS**PPolyproline II helixtrans-76.4124.6176.5-171.3-180-150.200109.8
47R60.3Low51.3Low145 Ų145139.1 Ų139.155%0.54770%0.704SS.*PPolyproline II helixtrans-72.6140.8174.5-85.4-175.4174.2-177.3-1.2110.4L49 E51 E55R47-L49 PolarHBondContact O-N 3.15Å; R47-E51 VanDerWaalsContact CD-OE2 3.28Å; R47-E51 WeakPolarHBondContact CD-OE2 3.41Å; R47-E51 IonicContact CZ-OE2 3.55Å; R47-E51 IonicContact NE-OE2 2.95Å; R47-E51 PolarHBondContact NE-OE2 3.31Å; R47-E55 IonicContact NH1-OE2 3.84Å
48P62.2Low51.9Low90 Ų90135.3 Ų135.358%0.58468%0.683SS**PPolyproline II helixtrans-64.8136.9177.827.4-34.2000111.6Q50 E51P48-Q50 PolarHBondContact O-N 3.35Å; P48-E51 PolarHBondContact O-N 3.3Å
49L50.5Low52.3Low123 Ų123133.3 Ų133.364%0.64467%0.671SS**Hα-helixtrans-45.9-28.8-176.6-119.9160.6000115.2R47 E51 Q52 I53R47-L49 PolarHBondContact O-N 3.15Å; L49-E51 PolarHBondContact O-N 3.12Å; L49-Q52 PolarHBondContact O-N 2.88Å; L49-I53 HydrophobicContact CD2-CD1 4.21Å; L49-I53 HydrophobicContact CD2-CG1 4.43Å; L49-I53 WeakPolarHBondContact O-CG1 3.28Å; L49-I53 PolarHBondContact O-N 3.22Å
50Q54.8Low53.1Low167 Ų167129.1 Ų129.178%0.7866%0.657SS**Hα-helixtrans-58.3-32.2176.7-15683.221.900113.4P48P48-Q50 PolarHBondContact O-N 3.35Å
51E58.2Low53.7Low93 Ų93124.1 Ų124.144%0.43564%0.639SS.*Hα-helixtrans-83.8-34.4-176-160.1170.2-153.300111.9R47 P48 L49 I53 A54 E55R47-E51 VanDerWaalsContact CD-OE2 3.28Å; R47-E51 WeakPolarHBondContact CD-OE2 3.41Å; R47-E51 IonicContact CZ-OE2 3.55Å; R47-E51 IonicContact NE-OE2 2.95Å; R47-E51 PolarHBondContact NE-OE2 3.31Å; P48-E51 PolarHBondContact O-N 3.3Å; L49-E51 PolarHBondContact O-N 3.12Å; E51-I53 PolarHBondContact O-N 3.26Å; E51-A54 PolarHBondContact O-N 2.91Å; E51-E55 PolarHBondContact O-N 2.89Å; E51-E55 VanDerWaalsContact O-N 3.11Å
52Q55.8Low54.1Low112 Ų112117 Ų11752%0.52363%0.626SS.*Hα-helixtrans-65.5-36.9176.1-69.3-178.7-14.500112.7L49 E55 A56L49-Q52 PolarHBondContact O-N 2.88Å; Q52-E55 PolarHBondContact O-N 3.35Å; Q52-A56 WeakPolarHBondContact O-CB 3.35Å; Q52-A56 PolarHBondContact O-N 3.34Å
53I56.5Low54.6Low108 Ų108112 Ų11255%0.55461%0.608SS**Hα-helixtrans-67.6-38.4178.3-60.8163.9000110.7L49 E51 D57L49-I53 HydrophobicContact CD2-CD1 4.21Å; L49-I53 HydrophobicContact CD2-CG1 4.43Å; L49-I53 WeakPolarHBondContact O-CG1 3.28Å; L49-I53 PolarHBondContact O-N 3.22Å; E51-I53 PolarHBondContact O-N 3.26Å; I53-D57 PolarHBondContact O-N 2.83Å
54A57.8Low55Low65 Ų65110.5 Ų110.554%0.53760%0.597SS.*Hα-helixtrans-68.1-37.7176.900000112.4E51 S58E51-A54 PolarHBondContact O-N 2.91Å; A54-S58 PolarHBondContact O-N 3.37Å
55E57.6Low55Low113 Ų113108.4 Ų108.453%0.52859%0.588SS.*Hα-helixtrans-68.7-42.1177.4-161.7158.1-15100111.2R47 E51 Q52 D57 S58 V59R47-E55 IonicContact NH1-OE2 3.84Å; E51-E55 PolarHBondContact O-N 2.89Å; E51-E55 VanDerWaalsContact O-N 3.11Å; Q52-E55 PolarHBondContact O-N 3.35Å; E55-D57 PolarHBondContact O-N 3.48Å; E55-S58 PolarHBondContact O-N 3.39Å; E55-S58 PolarHBondContact O-OG 3.48Å; E55-V59 PolarHBondContact O-N 3.1Å
56A53.3Low55.1Low64 Ų64104.3 Ų104.353%0.52958%0.582SS.*Hα-helixtrans-62.1-40.8176.600000113.9Q52 S58 V59 K60Q52-A56 WeakPolarHBondContact O-CB 3.35Å; Q52-A56 PolarHBondContact O-N 3.34Å; A56-S58 VanDerWaalsContact C-N 3.34Å; A56-V59 PolarHBondContact O-N 2.92Å; A56-K60 PolarHBondContact O-N 2.86Å
57D52.6Low54.9Low106 Ų106103.4 Ų103.457%0.56758%0.578SS**Hα-helixtrans-73.5-28.2179-139.218.4000111.7I53 E55 K60 A61I53-D57 PolarHBondContact O-N 2.83Å; E55-D57 PolarHBondContact O-N 3.48Å; D57-K60 PolarHBondContact O-N 3Å; D57-A61 PolarHBondContact O-N 3.22Å
58S55.8Low54.1Low67 Ų67101 Ų10147%0.46958%0.584SS.*Hα-helixtrans-65.9-37.317383.20000113A54 E55 A56 A61 A62A54-S58 PolarHBondContact O-N 3.37Å; E55-S58 PolarHBondContact O-N 3.39Å; E55-S58 PolarHBondContact O-OG 3.48Å; A56-S58 VanDerWaalsContact C-N 3.34Å; S58-A61 PolarHBondContact O-N 3.13Å; S58-A62 PolarHBondContact O-N 3.08Å
59V57.4Low52.7Low86 Ų86105.7 Ų105.752%0.52160%0.595SS.*Hα-helixtrans-68.4-39175.9175.80000110.6E55 A56 A61 A62 V63E55-V59 PolarHBondContact O-N 3.1Å; A56-V59 PolarHBondContact O-N 2.92Å; V59-A61 VanDerWaalsContact C-N 3.35Å; V59-A61 PolarHBondContact O-N 3.26Å; V59-A62 WeakPolarHBondContact O-CB 3.19Å; V59-A62 PolarHBondContact O-N 3.1Å; V59-V63 WeakPolarHBondContact O-CG2 3.5Å; V59-V63 PolarHBondContact O-N 3.15Å
60K55.9Low52.1Low129 Ų129108.8 Ų108.856%0.56161%0.606SS**Hα-helixtrans-63.7-39.2175.2-165.9176.3-178.1-178.80112.3A56 D57 Q64A56-K60 PolarHBondContact O-N 2.86Å; D57-K60 PolarHBondContact O-N 3Å; K60-Q64 WeakPolarHBondContact O-CG 3.47Å; K60-Q64 PolarHBondContact O-N 3.08Å; K60-Q64 VanDerWaalsContact O-N 3.15Å
61A54.9Low51.2Low60 Ų60106.5 Ų106.550%0.49661%0.606SS.*Hα-helixtrans-67.2-37172.700000112.8D57 S58 V59 S65D57-A61 PolarHBondContact O-N 3.22Å; S58-A61 PolarHBondContact O-N 3.13Å; V59-A61 VanDerWaalsContact C-N 3.35Å; V59-A61 PolarHBondContact O-N 3.26Å; A61-S65 WeakPolarHBondContact O-CB 3.39Å; A61-S65 PolarHBondContact O-N 3.4Å
62A55.3Low49.9Very low63 Ų63106 Ų10652%0.52162%0.618SS.*Hα-helixtrans-64.7-43175.800000112.3S58 V59 S65 A66S58-A62 PolarHBondContact O-N 3.08Å; V59-A62 WeakPolarHBondContact O-CB 3.19Å; V59-A62 PolarHBondContact O-N 3.1Å; A62-S65 PolarHBondContact O-N 2.67Å; A62-A66 PolarHBondContact O-N 2.81Å; A62-A66 VanDerWaalsContact O-N 3.08Å
63V55.6Low48.7Very low87 Ų87107.3 Ų107.353%0.52763%0.633SS.*Hα-helixtrans-63.6-45.1176.5172.90000111.4V59 S65 A66 E67V59-V63 WeakPolarHBondContact O-CG2 3.5Å; V59-V63 PolarHBondContact O-N 3.15Å; V63-S65 VanDerWaalsContact C-N 3.28Å; V63-S65 PolarHBondContact O-N 2.96Å; V63-A66 PolarHBondContact O-N 2.93Å; V63-E67 PolarHBondContact O-N 3.22Å
64Q53.8Low47.5Very low140 Ų140108.1 Ų108.165%0.65465%0.649SS**Hα-helixtrans-67.7-26.2177.2-70.5-176.3-2.600113.6K60K60-Q64 WeakPolarHBondContact O-CG 3.47Å; K60-Q64 PolarHBondContact O-N 3.08Å; K60-Q64 VanDerWaalsContact O-N 3.15Å
65S48.4Very low46.5Very low95 Ų95113.8 Ų113.866%0.66466%0.661SS**Hα-helixtrans-77.4-28174.8-160.10000112.6A61 A62 V63A61-S65 WeakPolarHBondContact O-CB 3.39Å; A61-S65 PolarHBondContact O-N 3.4Å; A62-S65 PolarHBondContact O-N 2.67Å; V63-S65 VanDerWaalsContact C-N 3.28Å; V63-S65 PolarHBondContact O-N 2.96Å
66A50.3Low45.3Very low82 Ų82115.4 Ų115.468%0.67867%0.674SS**Hα-helixtrans-73.4-28.2177.800000113.6A62 V63 S68A62-A66 PolarHBondContact O-N 2.81Å; A62-A66 VanDerWaalsContact O-N 3.08Å; V63-A66 PolarHBondContact O-N 2.93Å; A66-S68 VanDerWaalsContact C-N 3.29Å; A66-S68 PolarHBondContact O-N 3.27Å
67E45.8Very low44.3Very low176 Ų176117.5 Ų117.582%0.82269%0.691SS**THydrogen-bonded Turntrans-81.5-4.7-176.5-153.9155.4137.100114V63V63-E67 PolarHBondContact O-N 3.22Å
68S44.3Very low43.5Very low95 Ų95121.6 Ų121.666%0.66471%0.706SS**SBendtrans-113.347.3-175.8-166.10000113.8A66A66-S68 VanDerWaalsContact C-N 3.29Å; A66-S68 PolarHBondContact O-N 3.27Å
69K32.6Very low43.1Very low189 Ų189124.1 Ų124.182%0.82272%0.721SS**  trans-167.799.8161.9-112.5159.2-174.5175.80114.9
70Q36.6Very low42.1Very low188 Ų188129.6 Ų129.688%0.87974%0.741SS**  trans-73.9146.4141-76-170-24.100108.5
71P37.4Very low41.6Very low118 Ų118132.9 Ų132.977%0.76676%0.758SS**  -149.5149.490.237.9-20.1000117.5
72A29.9Very low41Very low83 Ų83133.2 Ų133.269%0.68677%0.768SS**  trans55.5112.5136.400000122.8
73T31Very low40.4Very low139 Ų139135.9 Ų135.985%0.85377%0.773SS**  trans64.8106.9132.362.80000121.7
74S31Very low40.2Very low126 Ų126138.8 Ų138.888%0.88179%0.786SS**  -160.8155.6125.151.30000110.7
75K36.8Very low40Very low183 Ų183141.6 Ų141.680%0.79680%0.796SS**  trans-88.5146.8-176.6-55.3172.2172.2-179.60111.7
76D31.6Very low40.3Very low148 Ų148140.9 Ų140.979%0.79179%0.788SS**  165.4148.2101.2-88.8-35.7000111.6
77A33.9Very low40.4Very low107 Ų107143.9 Ų143.988%0.88479%0.79SS**  trans69.3137175.300000119
78E35.5Very low40.6Very low192 Ų192143.1 Ų143.190%0.89779%0.791SS**  trans-93.2161.7-174.5-85.4-173.2132.500114.6
79P47.5Very low40.7Very low121 Ų121147.1 Ų147.179%0.78680%0.796SS**  trans-95.3170.2172.239.8-34.4000112.3
80E36.3Very low41.5Very low201 Ų201142.6 Ų142.694%0.93979%0.788SS**  trans-147.1145150.1-141.9169.6-151.300112.2
81Q45.3Very low42.2Very low197 Ų197141.7 Ų141.792%0.92179%0.789SS**  trans-150.3113.6-172178.3-176.448.700107.4
82G41.8Very low42.6Very low67 Ų67140.6 Ų140.669%0.69179%0.789SS**  trans160.4163.5176.100000115.5
83D43.4Very low43.1Very low120 Ų120144.4 Ų144.464%0.64280%0.798SS**  trans85.538155.5-67.716.2000121.7T86D83-T86 PolarHBondContact O-OG1 3.34Å
84D50.5Low43.3Very low148 Ų148141.5 Ų141.579%0.79180%0.796SS**SBendtrans-80-13.1159.6-78.2-35000113.9
85F50.5Low43.4Very low199 Ų199144.5 Ų144.587%0.87380%0.796SS**SBendtrans-87.8-10.1-176.9-117.2-89.3000114.7
86T55.2Low43.3Very low80 Ų80145.5 Ų145.549%0.49180%0.8SS.*SBendtrans-90.8-15.4-176.535.30000114D83D83-T86 PolarHBondContact O-OG1 3.34Å
87M51.3Low43.4Very low145 Ų145144.1 Ų144.171%0.71480%0.802SS**G310 helixtrans-77.1-29.1-179.3-65.4-159.6-176.100114.1K89M87-K89 VanDerWaalsContact C-N 3.32Å; M87-K89 PolarHBondContact O-N 3.19Å
88L49.5Very low43.6Very low160 Ų160148.3 Ų148.384%0.83880%0.801SS**G310 helixtrans-78.6-9.2-175.1-68.2175.9000114.7
89K47Very low43.2Very low179 Ų179148.5 Ų148.578%0.77880%0.801SS**G310 helixtrans-92.6-4.8-179-158.4164.8-178.4176.10114M87M87-K89 VanDerWaalsContact C-N 3.32Å; M87-K89 PolarHBondContact O-N 3.19Å
90S50.5Low42.5Very low94 Ų94146.9 Ų146.966%0.65780%0.799SS**SBendtrans-102.814.6-165.3-580000115.5
91L50.3Low43Very low169 Ų169143 Ų14389%0.88579%0.79SS**SBendtrans-1180.5-179.1-69.1176.2000114.8
92A46Very low42.2Very low95 Ų95143.2 Ų143.279%0.78579%0.791SS**SBendtrans-110.4-14.1-171.400000115.5
93D40Very low41.6Very low163 Ų163143.6 Ų143.687%0.87280%0.795SS**SBendtrans-100.2135.3-177.5-97.4-45.5000113
94G34.4Very low41.8Very low78 Ų78143.8 Ų143.880%0.80480%0.803SS**  trans-88.3163.5-160.200000116.3
95Q34.9Very low40.8Very low189 Ų189142.3 Ų142.388%0.88380%0.799SS**  trans-144.2100.1172.1-169.7-176.1-100.300112.7
96K34.6Very low39.9Very low203 Ų203141.7 Ų141.788%0.88380%0.796SS**  trans-146.2143.9154.2-78.1-162.6177.6174.50111.8
97S32.8Very low38.9Very low119 Ų119146.8 Ų146.883%0.83281%0.811SS**  trans77.7142.4-178.492.70000113.9
98K37.8Very low37.9Very low196 Ų196143 Ų14385%0.85281%0.81SS**  cis-166.4137.63.6-162.8179.4-176.4178.10111
99E27.2Very low37Very low195 Ų195142 Ų14291%0.91181%0.806SS**  trans-162.6160.9145.3-130170.4167.300113
100A33.2Very low36.5Very low88 Ų88142.3 Ų142.373%0.72781%0.809SS**  trans-140.1-177.7-175.200000108
101P46Very low35.7Very low118 Ų118147 Ų14777%0.76682%0.821SS**  cis-146.8174.528.943.3-23.1000118.2
102E29.3Very low35Very low202 Ų202148.8 Ų148.894%0.94482%0.818SS**  trans-175.7149.6137.7-102173.6-163.200109.2
103G28.1Very low34.8Very low75 Ų75149.9 Ų149.977%0.77381%0.814SS**  trans-120-151.5-169.100000114.7
104P48.5Very low35.7Very low124 Ų124147.1 Ų147.181%0.80581%0.805SS**  cis-136-170.3-17.235.9-14.9000114.2
105V29.3Very low35.8Very low117 Ų117150.2 Ų150.271%0.70980%0.803SS**  trans143.1120.7140.4168.90000118.2
106K32.7Very low35.9Very low187 Ų187149.9 Ų149.981%0.81380%0.802SS**  trans65.2119.3154.2-75.4167.6-171.2175.60121.8
107K34.2Very low36.5Very low186 Ų186145.9 Ų145.981%0.80980%0.799SS**  63.313197.5-81.3-160.8169.3-151.20114.7
108G28.7Very low36.7Very low67 Ų67147.3 Ų147.369%0.69180%0.797SS**  cis173.5-176.19.200000108.9
109D31.6Very low37Very low139 Ų139141.7 Ų141.774%0.74378%0.783SS**  cis-152.9-141.3-5.8-76.5-40.8000108.2
110H35.8Very low38.2Very low184 Ų184138.6 Ų138.685%0.85278%0.777SS**  trans-111.3156.2-168.6-62.7-98.5000117.3
111Q35.1Very low38.8Very low192 Ų192144.3 Ų144.390%0.89779%0.786SS**  trans-158.3162.1135.9-158.9142.62.900115.4
112Y34.4Very low38.9Very low208 Ų208144.3 Ų144.382%0.81679%0.789SS**  trans-160.9166-164.1-118.1-19.8000109.4
113V41.8Very low40Very low117 Ų117145.9 Ų145.971%0.70979%0.786SS**  cis-129.9-65.24.3-164.90000115.6
114P59.5Low41.1Very low105 Ų105153.6 Ų153.668%0.68279%0.792SS**  trans-129.4-162.4-14742.9-22.2000113.9
115D37.1Very low41.2Very low143 Ų143155.6 Ų155.677%0.76580%0.795SS**  cis-161-167.611.6-140.9-48.5000112.9
116E37.1Very low42.5Very low183 Ų183153.9 Ų153.986%0.85579%0.793SS**  trans87.7112.1149.683.4-157.614900124.6
117S46.2Very low43.5Very low118 Ų118152.2 Ų152.283%0.82579%0.793SS**  trans-76.7164.4-180-43.70000115.6
118D36.5Very low44.1Very low149 Ų149151.5 Ų151.580%0.79780%0.798SS**  173.5156.2106.6-166.230.3000115.6
119S45.8Very low45Very low79 Ų79158 Ų15855%0.55280%0.803SS**  trans6893.7147.3-83.50000123.3
120T51.7Low45.6Very low129 Ų129157.1 Ų157.179%0.79180%0.798SS**  31.3112.1114.164.70000119.9
121K46.3Very low46.5Very low209 Ų209152 Ų15291%0.90978%0.783SS**  trans-153.9121.6131.1-146.3167.9-172.21720113.9
122S47.5Very low47.1Very low118 Ų118148.5 Ų148.583%0.82578%0.775SS**  trans-78.4131169.354.20000112
123R51.4Low47.8Very low234 Ų234147.9 Ų147.988%0.88378%0.776SS**  trans-147.6119.9140.6-178.8169.6-77.3-154-3.7108.7
124R52.9Low48Very low237 Ų237149.9 Ų149.989%0.89478%0.778SS**  trans-67.5130.6167.8-67.6176.316998.6-2.1108.7
125L50.1Low47.4Very low166 Ų166148.3 Ų148.387%0.86978%0.781SS**  trans-119139.6132.3-80.4165.1000105.2
126A56.2Low48.1Very low82 Ų82147.2 Ų147.268%0.67877%0.773SS**  trans-73.7-178.8165.700000108.8
127D52.9Low48.4Very low151 Ų151146 Ų14681%0.80777%0.772SS**  trans115.822.2166.4-50.2-20.8000116.7
128D46.9Very low48.2Very low171 Ų171149.6 Ų149.691%0.91477%0.769SS**  trans-100.259.9156.8-68.9-41.2000110.3D130D128-D130 VanDerWaalsContact C-N 3.26Å; D128-D130 PolarHBondContact O-N 3.01Å
129Y48Very low48.8Very low205 Ų205147.8 Ų147.880%0.80476%0.759SS**  trans-87.259.8174.5-159.2-97000111.1S131Y129-S131 VanDerWaalsContact C-N 3.26Å; Y129-S131 WeakPolarHBondContact CD1-OG 3.49Å; Y129-S131 WeakPolarHBondContact CE1-OG 3.27Å; Y129-S131 VanDerWaalsContact CZ-OG 3.29Å; Y129-S131 PolarHBondContact O-N 2.94Å
130D44.1Very low49.1Very low120 Ų120148.2 Ų148.264%0.64276%0.755SS**  trans-75.181.6168.2-179.110.3000110.1D128 T132D128-D130 VanDerWaalsContact C-N 3.26Å; D128-D130 PolarHBondContact O-N 3.01Å; D130-T132 VanDerWaalsContact C-N 3.32Å; D130-T132 PolarHBondContact OD1-N 3.41Å; D130-T132 PolarHBondContact OD1-OG1 3.39Å
131S55.3Low49.1Very low75 Ų75146.8 Ų146.852%0.52475%0.748SS.*  trans-95.442.1172.4-69.20000112.3Y129Y129-S131 VanDerWaalsContact C-N 3.26Å; Y129-S131 WeakPolarHBondContact CD1-OG 3.49Å; Y129-S131 WeakPolarHBondContact CE1-OG 3.27Å; Y129-S131 VanDerWaalsContact CZ-OG 3.29Å; Y129-S131 PolarHBondContact O-N 2.94Å
132T47.6Very low49.4Very low120 Ų120143.2 Ų143.274%0.73674%0.735SS**  trans-100.67.9173.165.60000114D130D130-T132 VanDerWaalsContact C-N 3.32Å; D130-T132 PolarHBondContact OD1-N 3.41Å; D130-T132 PolarHBondContact OD1-OG1 3.39Å
133K48.3Very low50Low194 Ų194139.8 Ų139.884%0.84371%0.711SS**  trans-11061.7171.2-69.6-141.2175.7-1690113.9G135K133-G135 PolarHBondContact O-N 3.46Å
134H47.6Very low50.5Low159 Ų159129.6 Ų129.674%0.73667%0.673SS**  trans-91.254.3150.8-157.963.6000111.4M136H134-M136 WeakPolarHBondContact CE1-CG 3.13Å; H134-M136 PolarHBondContact O-N 2.92Å
135G45.4Very low50.7Low72 Ų72126.1 Ų126.174%0.74266%0.66SS**  trans-76.169163.500000110K133 D137K133-G135 PolarHBondContact O-N 3.46Å; G135-D137 PolarHBondContact O-N 3.32Å
136M51.6Low51Low121 Ų121120.7 Ų120.760%0.59663%0.63SS**  trans-88.684.9169.6-84.9-61-166.300110H134 Y138H134-M136 WeakPolarHBondContact CE1-CG 3.13Å; H134-M136 PolarHBondContact O-N 2.92Å; M136-Y138 PolarHBondContact O-N 2.99Å; M136-Y138 HydrophobicContact SD-CD2 3.79Å; M136-Y138 HydrophobicContact SD-CE2 4.45Å
137D44.5Very low50.8Low156 Ų156124.4 Ų124.483%0.83464%0.644SS**  trans-67.564.2156.5-84.9-37.1000110.1G135G135-D137 PolarHBondContact O-N 3.32Å
138Y41.4Very low50.4Low194 Ų194122.8 Ų122.876%0.76164%0.635SS**  trans-140.270.9165.8-71.7-73.8000109.5M136 D140M136-Y138 PolarHBondContact O-N 2.99Å; M136-Y138 HydrophobicContact SD-CD2 3.79Å; M136-Y138 HydrophobicContact SD-CE2 4.45Å; Y138-D140 PolarHBondContact O-N 2.91Å
139D50.4Low50.7Low112 Ų112117.2 Ų117.260%0.59962%0.618SS**  trans-63.280.8152.7-100.1-37.8000108.7P141 K180D139-P141 WeakPolarHBondContact O-CD 3.19Å; D139-K180 IonicContact OD1-NZ 3.86Å; D139-K180 PolarHBondContact OD1-NZ 3.39Å; D139-K180 VanDerWaalsContact OD2-CE 3.23Å; D139-K180 WeakPolarHBondContact OD2-CE 3.41Å; D139-K180 IonicContact OD2-NZ 2.73Å; D139-K180 PolarHBondContact OD2-NZ 2.98Å
140D51.9Low51.3Low88 Ų88110.5 Ų110.547%0.47160%0.598SS.*  trans-61116-175.7177.418.3000110.8Y138 E142 S143Y138-D140 PolarHBondContact O-N 2.91Å; D140-E142 PolarHBondContact O-N 3.49Å; D140-E142 VanDerWaalsContact O-N 3.08Å; D140-E142 PolarHBondContact OD1-N 2.89Å; D140-E142 VanDerWaalsContact OD1-N 3.15Å; D140-S143 PolarHBondContact O-N 2.84Å
141P51.6Low52Low99 Ų99109.7 Ų109.764%0.64360%0.599SS**THydrogen-bonded Turntrans-66.3-9.2-178.428.5-36.2000113.7D139D139-P141 WeakPolarHBondContact O-CD 3.19Å
142E51Low52.6Low134 Ų134107.2 Ų107.263%0.62658%0.58SS**THydrogen-bonded Turntrans-89.6-8.3178.2-59.7-157.7142.100114.5D140 F144 R145D140-E142 PolarHBondContact O-N 3.49Å; D140-E142 VanDerWaalsContact O-N 3.08Å; D140-E142 PolarHBondContact OD1-N 2.89Å; D140-E142 VanDerWaalsContact OD1-N 3.15Å; E142-F144 VanDerWaalsContact C-N 3.25Å; E142-F144 PolarHBondContact O-N 3.39Å; E142-F144 VanDerWaalsContact O-N 3.1Å; E142-R145 PolarHBondContact O-N 3.48Å; E142-R145 VanDerWaalsContact O-N 3.08Å
143S60.4Low53.9Low46 Ų46105.1 Ų105.132%0.32257%0.567SS.*THydrogen-bonded Turntrans-62.2-25.3-172.9-162.50000114.6D140 R145 K160D140-S143 PolarHBondContact O-N 2.84Å; S143-R145 VanDerWaalsContact C-N 3.32Å; S143-R145 PolarHBondContact O-N 3.4Å; S143-K160 WeakPolarHBondContact O-CE 3.45Å; S143-K160 PolarHBondContact O-NZ 2.9Å; S143-K160 WeakPolarHBondContact OG-CE 3.43Å; S143-K160 PolarHBondContact OG-NZ 2.96Å
144F61.8Low55.3Low19 Ų1998.7 Ų98.78%0.08355%0.551CS.*THydrogen-bonded Turntrans-95.135.6175.3-56.5-72.7000113.6E142 I177 L181 L184 L186E142-F144 VanDerWaalsContact C-N 3.25Å; E142-F144 PolarHBondContact O-N 3.39Å; E142-F144 VanDerWaalsContact O-N 3.1Å; F144-I177 HydrophobicContact CE1-CG2 3.68Å; F144-I177 HydrophobicContact CE2-CG2 4.04Å; F144-I177 HydrophobicContact CZ-CB 4.24Å; F144-I177 HydrophobicContact CZ-CD1 4.39Å; F144-I177 HydrophobicContact CZ-CG1 4.08Å; F144-I177 HydrophobicContact CZ-CG2 3.26Å; F144-L181 HydrophobicContact CB-CD2 4.02Å; F144-L181 HydrophobicContact CD1-CD2 3.77Å; F144-L181 HydrophobicContact CD2-CD2 4.09Å; F144-L181 HydrophobicContact CE1-CD2 4.32Å; F144-L181 HydrophobicContact CG-CD2 3.66Å; F144-L184 HydrophobicContact CD2-CD1 4.49Å; F144-L186 HydrophobicContact CB-CD1 3.62Å
145R57.3Low56.8Low165 Ų16596.9 Ų96.962%0.62354%0.542SS*.SBendtrans-120.6141164.5-66.1179.1172-85.8-5.2109.6E142 S143E142-R145 PolarHBondContact O-N 3.48Å; E142-R145 VanDerWaalsContact O-N 3.08Å; S143-R145 VanDerWaalsContact C-N 3.32Å; S143-R145 PolarHBondContact O-N 3.4Å
146Q55.9Low58.6Low52 Ų5296.3 Ų96.324%0.24352%0.522CS..  trans-70.3149.8168-85.8159.4-16.500107.8D148 G149 T150 L152 D156Q146-D148 WeakPolarHBondContact CB-OD1 3.38Å; Q146-D148 PolarHBondContact O-N 3.45Å; Q146-G149 PolarHBondContact O-N 2.93Å; Q146-T150 PolarHBondContact N-O 2.94Å; Q146-T150 VanDerWaalsContact OE1-CB 3.31Å; Q146-L152 HydrophobicContact CB-CD1 4.2Å; Q146-L152 HydrophobicContact CG-CD1 3.72Å; Q146-L152 HydrophobicContact CG-CG 4.13Å; Q146-D156 PolarHBondContact NE2-OD1 3.48Å; Q146-D156 PolarHBondContact NE2-OD2 2.98Å
147V51.8Low60.1Low160 Ų16090.9 Ų90.997%0.9750%0.496SS*.THydrogen-bonded Turntrans-62.6-13.8-173-1770000112.6
148D46.2Very low62.1Low117 Ų11783.6 Ų83.663%0.62646%0.457SS*.THydrogen-bonded Turntrans-96.3-2.217764.1-3.3000114.3Q146 T150Q146-D148 WeakPolarHBondContact CB-OD1 3.38Å; Q146-D148 PolarHBondContact O-N 3.45Å; D148-T150 VanDerWaalsContact C-N 3.35Å; D148-T150 VanDerWaalsContact OD1-CB 3.24Å; D148-T150 WeakPolarHBondContact OD1-CB 3.46Å; D148-T150 PolarHBondContact OD1-N 3.23Å; D148-T150 PolarHBondContact OD1-OG1 3.05Å; D148-T150 VanDerWaalsContact OD1-OG1 3.08Å; D148-T150 PolarHBondContact OD2-OG1 2.87Å
149G52Low64.2Low53 Ų5377.9 Ų77.955%0.54644%0.437SS..SBendtrans834.4-177.800000115.1Q146Q146-G149 PolarHBondContact O-N 2.93Å
150T60.6Low65.9Low64 Ų6476.3 Ų76.339%0.39343%0.425SS..PPolyproline II helixtrans-69.2140.3171.7-54.10000109.6Q146 D148 L152Q146-T150 PolarHBondContact N-O 2.94Å; Q146-T150 VanDerWaalsContact OE1-CB 3.31Å; D148-T150 VanDerWaalsContact C-N 3.35Å; D148-T150 VanDerWaalsContact OD1-CB 3.24Å; D148-T150 WeakPolarHBondContact OD1-CB 3.46Å; D148-T150 PolarHBondContact OD1-N 3.23Å; D148-T150 PolarHBondContact OD1-OG1 3.05Å; D148-T150 VanDerWaalsContact OD1-OG1 3.08Å; D148-T150 PolarHBondContact OD2-OG1 2.87Å; T150-L152 PolarHBondContact O-N 2.71Å
151P59Low67.4Low103 Ų10372.1 Ų72.167%0.66940%0.402SS*.PPolyproline II helixtrans-64.6129.2170.127.1-33.6000109.3T153P151-T153 PolarHBondContact O-N 2.72Å
152L67.4Low69.1Low24 Ų2467.4 Ų67.413%0.12637%0.372CS..PPolyproline II helixtrans-51.9140176.1-95.771.1000110.1Q146 T150 D156 I157Q146-L152 HydrophobicContact CB-CD1 4.2Å; Q146-L152 HydrophobicContact CG-CD1 3.72Å; Q146-L152 HydrophobicContact CG-CG 4.13Å; T150-L152 PolarHBondContact O-N 2.71Å; L152-D156 HydrophobicContact CB-CB 4.02Å; L152-D156 HydrophobicContact CD2-CB 3.86Å; L152-D156 HydrophobicContact CG-CB 3.69Å; L152-I157 HydrophobicContact CB-CD1 4.27Å; L152-I157 HydrophobicContact CB-CG1 3.76Å; L152-I157 HydrophobicContact CD2-CG1 3.78Å; L152-I157 HydrophobicContact CG-CG1 4.41Å
153T74.8Confident70.8Confident76 Ų7663.8 Ų63.847%0.46636%0.357SS..PPolyproline II helixtrans-71.5161.1166.373.60000109.6P151 E155 D156 I157P151-T153 PolarHBondContact O-N 2.72Å; T153-E155 PolarHBondContact O-N 3.02Å; T153-D156 VanDerWaalsContact CB-OD2 3.28Å; T153-D156 WeakPolarHBondContact CB-OD2 3.3Å; T153-D156 WeakPolarHBondContact CG2-OD2 3.26Å; T153-D156 PolarHBondContact N-OD2 3.01Å; T153-D156 PolarHBondContact O-N 2.84Å; T153-D156 VanDerWaalsContact O-N 3.12Å; T153-D156 VanDerWaalsContact OG1-CG 3.3Å; T153-D156 PolarHBondContact OG1-N 3.45Å; T153-D156 PolarHBondContact OG1-OD2 3.39Å; T153-I157 WeakPolarHBondContact O-CG1 3.22Å; T153-I157 PolarHBondContact O-N 2.66Å; T153-I157 VanDerWaalsContact O-N 3.15Å
154A77.6Confident72Confident59 Ų5964.9 Ų64.949%0.48836%0.356SS..Hα-helixtrans-55.5-36.7176.200000111.8I157 V158A154-I157 WeakPolarHBondContact O-CB 3.4Å; A154-I157 PolarHBondContact O-N 2.85Å; A154-V158 VanDerWaalsContact O-CG2 3.31Å; A154-V158 WeakPolarHBondContact O-CG2 3.49Å; A154-V158 PolarHBondContact O-N 2.93Å
155E80.9Confident73.1Confident121 Ų12164.9 Ų64.957%0.56536%0.356SS*.Hα-helixtrans-64.9-43176.9-164.864.3-16200112.6T153 I157 V158 Q159T153-E155 PolarHBondContact O-N 3.02Å; E155-I157 PolarHBondContact O-N 3.31Å; E155-V158 PolarHBondContact O-N 3.35Å; E155-Q159 WeakPolarHBondContact O-CB 3.13Å; E155-Q159 PolarHBondContact O-N 2.98Å
156D82.7Confident74.5Confident59 Ų5962.2 Ų62.232%0.31635%0.347SS..Hα-helixtrans-63-35.1176.6-61-69.8000111.6Q146 L152 T153 K160Q146-D156 PolarHBondContact NE2-OD1 3.48Å; Q146-D156 PolarHBondContact NE2-OD2 2.98Å; L152-D156 HydrophobicContact CB-CB 4.02Å; L152-D156 HydrophobicContact CD2-CB 3.86Å; L152-D156 HydrophobicContact CG-CB 3.69Å; T153-D156 VanDerWaalsContact CB-OD2 3.28Å; T153-D156 WeakPolarHBondContact CB-OD2 3.3Å; T153-D156 WeakPolarHBondContact CG2-OD2 3.26Å; T153-D156 PolarHBondContact N-OD2 3.01Å; T153-D156 PolarHBondContact O-N 2.84Å; T153-D156 VanDerWaalsContact O-N 3.12Å; T153-D156 VanDerWaalsContact OG1-CG 3.3Å; T153-D156 PolarHBondContact OG1-N 3.45Å; T153-D156 PolarHBondContact OG1-OD2 3.39Å; D156-K160 WeakPolarHBondContact O-CB 3.47Å; D156-K160 PolarHBondContact O-N 3.11Å
157I82.4Confident75.9Confident8 Ų866.1 Ų66.14%0.04137%0.365CS..Hα-helixtrans-66.5-49.4175.2-65.4172.9000109.5L152 T153 A154 E155 K160 I161 L181 I187L152-I157 HydrophobicContact CB-CD1 4.27Å; L152-I157 HydrophobicContact CB-CG1 3.76Å; L152-I157 HydrophobicContact CD2-CG1 3.78Å; L152-I157 HydrophobicContact CG-CG1 4.41Å; T153-I157 WeakPolarHBondContact O-CG1 3.22Å; T153-I157 PolarHBondContact O-N 2.66Å; T153-I157 VanDerWaalsContact O-N 3.15Å; A154-I157 WeakPolarHBondContact O-CB 3.4Å; A154-I157 PolarHBondContact O-N 2.85Å; E155-I157 PolarHBondContact O-N 3.31Å; I157-K160 PolarHBondContact O-N 2.87Å; I157-I161 HydrophobicContact CG2-CD1 3.71Å; I157-I161 HydrophobicContact CG2-CG1 4.43Å; I157-I161 VanDerWaalsContact O-CG1 3.24Å; I157-I161 WeakPolarHBondContact O-CG1 3.5Å; I157-I161 PolarHBondContact O-N 3.34Å; I157-L181 HydrophobicContact CD1-CD2 4.37Å; I157-L181 HydrophobicContact CG2-CD1 3.45Å; I157-L181 VanDerWaalsContact CG2-CD1 3.45Å; I157-L181 HydrophobicContact CG2-CD2 4.21Å; I157-L181 HydrophobicContact CG2-CG 4.49Å; I157-I187 HydrophobicContact CD1-CG2 4.18Å
158V87.3Confident77.4Confident2 Ų262.7 Ų62.71%0.01234%0.339CS..Hα-helixtrans-55.7-54.7178.1165.70000111.2A154 E155 K160 I161 A162 L195 Q198 V199 A202A154-V158 VanDerWaalsContact O-CG2 3.31Å; A154-V158 WeakPolarHBondContact O-CG2 3.49Å; A154-V158 PolarHBondContact O-N 2.93Å; E155-V158 PolarHBondContact O-N 3.35Å; V158-K160 VanDerWaalsContact C-N 3.29Å; V158-K160 PolarHBondContact O-N 3.19Å; V158-I161 PolarHBondContact O-N 2.91Å; V158-A162 WeakPolarHBondContact O-CB 3.45Å; V158-A162 PolarHBondContact O-N 3.48Å; V158-L195 HydrophobicContact CG2-CD2 3.35Å; V158-Q198 HydrophobicContact CG1-CB 4.11Å; V158-Q198 WeakPolarHBondContact CG1-O 3.33Å; V158-Q198 HydrophobicContact CG2-CB 3.71Å; V158-V199 HydrophobicContact CB-CG2 4.33Å; V158-V199 HydrophobicContact CG1-CG2 4.17Å; V158-V199 HydrophobicContact CG2-CG2 4.26Å; V158-A202 HydrophobicContact CG1-CB 3.57Å
159Q85.4Confident79.1Confident75 Ų7564.7 Ų64.735%0.3535%0.349SS..Hα-helixtrans-61.9-37.5-179.8-171.667.967.100111.8E155 A162 N163E155-Q159 WeakPolarHBondContact O-CB 3.13Å; E155-Q159 PolarHBondContact O-N 2.98Å; Q159-A162 PolarHBondContact O-N 3.24Å; Q159-N163 PolarHBondContact NE2-OD1 3.18Å; Q159-N163 WeakPolarHBondContact O-CB 3.45Å; Q159-N163 PolarHBondContact O-N 3.46Å; Q159-N163 PolarHBondContact O-OD1 2.98Å; Q159-N163 VanDerWaalsContact O-OD1 3.13Å
160K84.8Confident80.6Confident78 Ų7865.1 Ų65.134%0.33934%0.339SS..Hα-helixtrans-70.7-34.2178.9-172.9158.7-175.2166.60112.8S143 D156 I157 V158 K164S143-K160 WeakPolarHBondContact O-CE 3.45Å; S143-K160 PolarHBondContact O-NZ 2.9Å; S143-K160 WeakPolarHBondContact OG-CE 3.43Å; S143-K160 PolarHBondContact OG-NZ 2.96Å; D156-K160 WeakPolarHBondContact O-CB 3.47Å; D156-K160 PolarHBondContact O-N 3.11Å; I157-K160 PolarHBondContact O-N 2.87Å; V158-K160 VanDerWaalsContact C-N 3.29Å; V158-K160 PolarHBondContact O-N 3.19Å; K160-K164 WeakPolarHBondContact O-CB 3.5Å; K160-K164 PolarHBondContact O-N 3.06Å
161I85Confident81.6Confident0 Ų070.6 Ų70.60%035%0.353CS..Hα-helixtrans-68.4-48.4171.4-63.4161.8000110.1I157 V158 N163 K164 I165 F174 I177 L181 V199I157-I161 HydrophobicContact CG2-CD1 3.71Å; I157-I161 HydrophobicContact CG2-CG1 4.43Å; I157-I161 VanDerWaalsContact O-CG1 3.24Å; I157-I161 WeakPolarHBondContact O-CG1 3.5Å; I157-I161 PolarHBondContact O-N 3.34Å; V158-I161 PolarHBondContact O-N 2.91Å; I161-N163 VanDerWaalsContact C-N 3.34Å; I161-N163 PolarHBondContact O-N 2.95Å; I161-K164 PolarHBondContact O-N 3.07Å; I161-I165 HydrophobicContact CG2-CD1 3.68Å; I161-I165 HydrophobicContact CG2-CG1 4.23Å; I161-I165 WeakPolarHBondContact O-CG1 3.48Å; I161-I165 PolarHBondContact O-N 2.78Å; I161-F174 HydrophobicContact CG2-CD2 3.9Å; I161-I177 HydrophobicContact CD1-CG2 3.98Å; I161-I177 HydrophobicContact CG1-CB 4.29Å; I161-I177 HydrophobicContact CG1-CD1 4.23Å; I161-I177 HydrophobicContact CG1-CG2 3.57Å; I161-I177 HydrophobicContact CG2-CD1 4.32Å; I161-L181 HydrophobicContact CD1-CD1 3.98Å; I161-V199 HydrophobicContact CB-CG1 4.2Å; I161-V199 HydrophobicContact CB-CG2 3.87Å; I161-V199 HydrophobicContact CD1-CG2 3.95Å; I161-V199 HydrophobicContact CG2-CB 4.45Å; I161-V199 HydrophobicContact CG2-CG1 3.66Å; I161-V199 HydrophobicContact CG2-CG2 3.93Å
162A85.9Confident82.8Confident0 Ų067 Ų670%034%0.335CS..Hα-helixtrans-56.9-46.1179.500000111.8V158 Q159 K164 I165 Y166 V199 A202 L203V158-A162 WeakPolarHBondContact O-CB 3.45Å; V158-A162 PolarHBondContact O-N 3.48Å; Q159-A162 PolarHBondContact O-N 3.24Å; A162-K164 VanDerWaalsContact C-N 3.33Å; A162-K164 PolarHBondContact O-N 3.43Å; A162-I165 PolarHBondContact O-N 3.38Å; A162-Y166 WeakPolarHBondContact O-CB 3.28Å; A162-Y166 PolarHBondContact O-N 2.84Å; A162-V199 HydrophobicContact CB-CG1 4.41Å; A162-A202 HydrophobicContact CB-CB 4.05Å; A162-L203 HydrophobicContact CB-CB 4.1Å; A162-L203 WeakPolarHBondContact O-CD1 3.45Å
163N86.4Confident83.7Confident59 Ų5966.1 Ų66.132%0.31633%0.33SS..Hα-helixtrans-59.3-41.9173.7-68.15.8000111.9Q159 I161 Y166 E167 L206Q159-N163 PolarHBondContact NE2-OD1 3.18Å; Q159-N163 WeakPolarHBondContact O-CB 3.45Å; Q159-N163 PolarHBondContact O-N 3.46Å; Q159-N163 PolarHBondContact O-OD1 2.98Å; Q159-N163 VanDerWaalsContact O-OD1 3.13Å; I161-N163 VanDerWaalsContact C-N 3.34Å; I161-N163 PolarHBondContact O-N 2.95Å; N163-Y166 PolarHBondContact O-N 3.18Å; N163-E167 WeakPolarHBondContact O-CG 3.27Å; N163-E167 PolarHBondContact O-N 3.35Å; N163-L206 WeakPolarHBondContact OD1-CD2 3.36Å
164K85.9Confident84.3Confident68 Ų6863.2 Ų63.230%0.29631%0.311SS..Hα-helixtrans-68.5-38.3-178.9-152.181.1-164.778.20112.8K160 I161 A162 Y166 E167 E168 V173 I177K160-K164 WeakPolarHBondContact O-CB 3.5Å; K160-K164 PolarHBondContact O-N 3.06Å; I161-K164 PolarHBondContact O-N 3.07Å; A162-K164 VanDerWaalsContact C-N 3.33Å; A162-K164 PolarHBondContact O-N 3.43Å; K164-Y166 VanDerWaalsContact C-N 3.35Å; K164-E167 IonicContact NZ-OE2 2.7Å; K164-E167 PolarHBondContact NZ-OE2 3.45Å; K164-E167 PolarHBondContact O-N 2.96Å; K164-E168 WeakPolarHBondContact CE-OE1 3.43Å; K164-E168 WeakPolarHBondContact CG-OE1 3.15Å; K164-E168 IonicContact NZ-OE1 3.38Å; K164-E168 PolarHBondContact NZ-OE1 2.95Å; K164-E168 WeakPolarHBondContact O-CB 3.49Å; K164-E168 PolarHBondContact O-N 3.46Å; K164-V173 HydrophobicContact CB-CG1 4.06Å; K164-V173 HydrophobicContact CG-CG1 3.86Å; K164-I177 HydrophobicContact CB-CD1 4.01Å; K164-I177 HydrophobicContact CG-CD1 4.2Å
165I85.4Confident84.8Confident19 Ų1965.2 Ų65.210%0.09731%0.313CS..Hα-helixtrans-64.9-41.6173.7-64.4167.4000109.9I161 A162 E167 E168 D169 V173 F174 V199 L203I161-I165 HydrophobicContact CG2-CD1 3.68Å; I161-I165 HydrophobicContact CG2-CG1 4.23Å; I161-I165 WeakPolarHBondContact O-CG1 3.48Å; I161-I165 PolarHBondContact O-N 2.78Å; A162-I165 PolarHBondContact O-N 3.38Å; I165-E167 VanDerWaalsContact C-N 3.34Å; I165-E167 PolarHBondContact O-N 3.36Å; I165-E168 PolarHBondContact O-N 2.94Å; I165-D169 WeakPolarHBondContact O-CA 3.31Å; I165-D169 PolarHBondContact O-N 3.08Å; I165-V173 HydrophobicContact CG1-CB 4.24Å; I165-V173 HydrophobicContact CG1-CG1 4.31Å; I165-F174 HydrophobicContact CD1-CB 3.91Å; I165-F174 HydrophobicContact CD1-CD2 4.36Å; I165-V199 HydrophobicContact CD1-CG1 3.71Å; I165-L203 HydrophobicContact CG2-CD1 4.46Å; I165-L203 HydrophobicContact CG2-CD2 3.84Å
166Y87Confident85.2Confident110 Ų11065.1 Ų65.143%0.43131%0.308SS..Hα-helixtrans-66.7-31.9176.2-174.4-100.1000113.6A162 N163 K164 L203 L206 I207 N210A162-Y166 WeakPolarHBondContact O-CB 3.28Å; A162-Y166 PolarHBondContact O-N 2.84Å; N163-Y166 PolarHBondContact O-N 3.18Å; K164-Y166 VanDerWaalsContact C-N 3.35Å; Y166-L203 HydrophobicContact CD2-CD1 4.5Å; Y166-L206 HydrophobicContact CD1-CD2 4.2Å; Y166-L206 HydrophobicContact CG-CD2 3.9Å; Y166-L206 HydrophobicContact CG-CG 4.5Å; Y166-I207 HydrophobicContact CD2-CG1 3.85Å; Y166-I207 HydrophobicContact CE2-CG1 3.92Å; Y166-N210 WeakPolarHBondContact CE1-ND2 3.27Å; Y166-N210 VanDerWaalsContact CZ-ND2 3.34Å; Y166-N210 PolarHBondContact OH-ND2 3.03Å
167E85.9Confident85.3Confident133 Ų13362.8 Ų62.862%0.62130%0.295SS*.Hα-helixtrans-74.5-36.1175-76.9171.2-170.100113.8N163 K164 I165N163-E167 WeakPolarHBondContact O-CG 3.27Å; N163-E167 PolarHBondContact O-N 3.35Å; K164-E167 IonicContact NZ-OE2 2.7Å; K164-E167 PolarHBondContact NZ-OE2 3.45Å; K164-E167 PolarHBondContact O-N 2.96Å; I165-E167 VanDerWaalsContact C-N 3.34Å; I165-E167 PolarHBondContact O-N 3.36Å
168E82.7Confident85.5Confident89 Ų8963 Ų6342%0.41630%0.297SS..Hα-helixtrans-101.7-11.6-173.4-71.7179.1-139.300113.9K164 I165 D170 V173K164-E168 WeakPolarHBondContact CE-OE1 3.43Å; K164-E168 WeakPolarHBondContact CG-OE1 3.15Å; K164-E168 IonicContact NZ-OE1 3.38Å; K164-E168 PolarHBondContact NZ-OE1 2.95Å; K164-E168 WeakPolarHBondContact O-CB 3.49Å; K164-E168 PolarHBondContact O-N 3.46Å; I165-E168 PolarHBondContact O-N 2.94Å; E168-D170 PolarHBondContact O-N 3.41Å; E168-D170 VanDerWaalsContact O-N 3.11Å; E168-V173 HydrophobicContact CB-CG2 3.93Å; E168-V173 HydrophobicContact CG-CG2 4.48Å; E168-V173 WeakPolarHBondContact OE2-CG2 3.38Å
169D81.4Confident85.5Confident158 Ų15866.5 Ų66.585%0.84532%0.322SS*.  trans49.629-175.8-156.630.1000114.4I165I165-D169 WeakPolarHBondContact O-CA 3.31Å; I165-D169 PolarHBondContact O-N 3.08Å
170D84.7Confident85.4Confident63 Ų6365.3 Ų65.334%0.33732%0.315SS..  trans-122.6117.9-178.6172.129.6000111E168 G172 V173 R176E168-D170 PolarHBondContact O-N 3.41Å; E168-D170 VanDerWaalsContact O-N 3.11Å; D170-G172 PolarHBondContact O-N 3.19Å; D170-G172 WeakPolarHBondContact OD1-CA 3.4Å; D170-G172 PolarHBondContact OD1-N 3.43Å; D170-V173 HydrophobicContact CB-CG2 3.89Å; D170-V173 VanDerWaalsContact O-CB 3.27Å; D170-V173 WeakPolarHBondContact O-CB 3.07Å; D170-V173 WeakPolarHBondContact O-CG2 3.47Å; D170-V173 PolarHBondContact O-N 2.96Å; D170-V173 VanDerWaalsContact O-N 3.13Å; D170-V173 PolarHBondContact OD2-N 2.83Å; D170-R176 IonicContact OD2-NH2 2.81Å; D170-R176 PolarHBondContact OD2-NH2 3.32Å
171R80.2Confident85.4Confident179 Ų17961.6 Ų61.668%0.67530%0.299SS*.THydrogen-bonded Turntrans-61.2-30.4172.6-174.5177.4178.5-178.10.6112V173 F174 E196R171-V173 PolarHBondContact O-N 3.36Å; R171-V173 VanDerWaalsContact O-N 3.13Å; R171-F174 WeakPolarHBondContact O-CB 3.24Å; R171-F174 PolarHBondContact O-N 2.98Å; R171-E196 IonicContact CZ-OE1 3.67Å; R171-E196 IonicContact NH2-OE1 3.49Å; R171-E196 PolarHBondContact NH2-OE1 3.37Å
172G84.1Confident85.4Confident28 Ų2864.5 Ų64.529%0.28931%0.314SS..Hα-helixtrans-63-13.8176.100000114.2D170 F174 R176D170-G172 PolarHBondContact O-N 3.19Å; D170-G172 WeakPolarHBondContact OD1-CA 3.4Å; D170-G172 PolarHBondContact OD1-N 3.43Å; G172-F174 VanDerWaalsContact C-N 3.31Å; G172-R176 VanDerWaalsContact O-CB 3.27Å; G172-R176 WeakPolarHBondContact O-CB 3.26Å; G172-R176 PolarHBondContact O-N 2.61Å
173V86.3Confident85.5Confident4 Ų473.5 Ų73.52%0.02435%0.353CS..Hα-helixtrans-66.5-33.3169.5176.20000111.3K164 I165 E168 D170 R171 R176 I177K164-V173 HydrophobicContact CB-CG1 4.06Å; K164-V173 HydrophobicContact CG-CG1 3.86Å; I165-V173 HydrophobicContact CG1-CB 4.24Å; I165-V173 HydrophobicContact CG1-CG1 4.31Å; E168-V173 HydrophobicContact CB-CG2 3.93Å; E168-V173 HydrophobicContact CG-CG2 4.48Å; E168-V173 WeakPolarHBondContact OE2-CG2 3.38Å; D170-V173 HydrophobicContact CB-CG2 3.89Å; D170-V173 VanDerWaalsContact O-CB 3.27Å; D170-V173 WeakPolarHBondContact O-CB 3.07Å; D170-V173 WeakPolarHBondContact O-CG2 3.47Å; D170-V173 PolarHBondContact O-N 2.96Å; D170-V173 VanDerWaalsContact O-N 3.13Å; D170-V173 PolarHBondContact OD2-N 2.83Å; R171-V173 PolarHBondContact O-N 3.36Å; R171-V173 VanDerWaalsContact O-N 3.13Å; V173-R176 PolarHBondContact O-N 3.11Å; V173-I177 HydrophobicContact CG1-CD1 3.58Å; V173-I177 HydrophobicContact CG1-CG1 4.23Å; V173-I177 WeakPolarHBondContact O-CB 3Å; V173-I177 VanDerWaalsContact O-CG1 3.27Å; V173-I177 WeakPolarHBondContact O-CG1 3.37Å; V173-I177 PolarHBondContact O-N 3.43Å
174F88.1Confident85.3Confident16 Ų1675.1 Ų75.17%0.0736%0.361CS..Hα-helixtrans-57-60.2174.1179.8-100.1000111I161 I165 R171 G172 R176 I177 V178 L195 E196 V199I161-F174 HydrophobicContact CG2-CD2 3.9Å; I165-F174 HydrophobicContact CD1-CB 3.91Å; I165-F174 HydrophobicContact CD1-CD2 4.36Å; R171-F174 WeakPolarHBondContact O-CB 3.24Å; R171-F174 PolarHBondContact O-N 2.98Å; G172-F174 VanDerWaalsContact C-N 3.31Å; F174-R176 VanDerWaalsContact C-N 3.25Å; F174-R176 PolarHBondContact O-N 3.07Å; F174-I177 PolarHBondContact O-N 2.91Å; F174-I177 VanDerWaalsContact O-N 3.07Å; F174-V178 HydrophobicContact CD1-CG2 4.22Å; F174-V178 HydrophobicContact CD2-CG2 4.19Å; F174-V178 HydrophobicContact CE1-CG2 3.81Å; F174-V178 HydrophobicContact CE2-CG2 3.76Å; F174-V178 HydrophobicContact CG-CG2 4.39Å; F174-V178 HydrophobicContact CZ-CG2 3.53Å; F174-V178 WeakPolarHBondContact O-CG2 3.38Å; F174-V178 PolarHBondContact O-N 2.95Å; F174-L195 HydrophobicContact CZ-CB 4.47Å; F174-E196 HydrophobicContact CE1-CB 3.88Å; F174-E196 HydrophobicContact CE1-CG 4.08Å; F174-E196 HydrophobicContact CE2-CB 4.35Å; F174-E196 HydrophobicContact CZ-CB 3.58Å; F174-E196 HydrophobicContact CZ-CG 4.12Å; F174-V199 HydrophobicContact CD2-CB 4.22Å; F174-V199 HydrophobicContact CD2-CG1 4.02Å; F174-V199 HydrophobicContact CD2-CG2 4.34Å; F174-V199 HydrophobicContact CE2-CB 3.99Å; F174-V199 HydrophobicContact CE2-CG1 4.31Å; F174-V199 HydrophobicContact CE2-CG2 3.95Å
175D88.7Confident85Confident100 Ų10074.9 Ų74.954%0.53538%0.378SS..Hα-helixtrans-59.3-38.7-178-65.2-31.5000111.8S179D175-S179 WeakPolarHBondContact O-CB 3.44Å; D175-S179 PolarHBondContact O-N 3.26Å; D175-S179 PolarHBondContact O-OG 2.7Å
176R88.3Confident84.8Confident119 Ų11977.3 Ų77.345%0.44939%0.391SS..Hα-helixtrans-65.7-37.6178.3-160.3-170.2-47.3-169.311.1112D170 G172 V173 F174 K180D170-R176 IonicContact OD2-NH2 2.81Å; D170-R176 PolarHBondContact OD2-NH2 3.32Å; G172-R176 VanDerWaalsContact O-CB 3.27Å; G172-R176 WeakPolarHBondContact O-CB 3.26Å; G172-R176 PolarHBondContact O-N 2.61Å; V173-R176 PolarHBondContact O-N 3.11Å; F174-R176 VanDerWaalsContact C-N 3.25Å; F174-R176 PolarHBondContact O-N 3.07Å; R176-K180 VanDerWaalsContact O-CD 3.3Å; R176-K180 WeakPolarHBondContact O-CD 3.24Å; R176-K180 WeakPolarHBondContact O-CE 3.42Å; R176-K180 VanDerWaalsContact O-CG 3.25Å; R176-K180 WeakPolarHBondContact O-CG 3.45Å; R176-K180 PolarHBondContact O-N 3.47Å
177I84.5Confident84.6Confident11 Ų1172.7 Ų72.76%0.05637%0.374CS..Hα-helixtrans-77.4-46.8176.2-67.6169.8000111F144 I161 K164 V173 F174 S179 K180 L181F144-I177 HydrophobicContact CE1-CG2 3.68Å; F144-I177 HydrophobicContact CE2-CG2 4.04Å; F144-I177 HydrophobicContact CZ-CB 4.24Å; F144-I177 HydrophobicContact CZ-CD1 4.39Å; F144-I177 HydrophobicContact CZ-CG1 4.08Å; F144-I177 HydrophobicContact CZ-CG2 3.26Å; I161-I177 HydrophobicContact CD1-CG2 3.98Å; I161-I177 HydrophobicContact CG1-CB 4.29Å; I161-I177 HydrophobicContact CG1-CD1 4.23Å; I161-I177 HydrophobicContact CG1-CG2 3.57Å; I161-I177 HydrophobicContact CG2-CD1 4.32Å; K164-I177 HydrophobicContact CB-CD1 4.01Å; K164-I177 HydrophobicContact CG-CD1 4.2Å; V173-I177 HydrophobicContact CG1-CD1 3.58Å; V173-I177 HydrophobicContact CG1-CG1 4.23Å; V173-I177 WeakPolarHBondContact O-CB 3Å; V173-I177 VanDerWaalsContact O-CG1 3.27Å; V173-I177 WeakPolarHBondContact O-CG1 3.37Å; V173-I177 PolarHBondContact O-N 3.43Å; F174-I177 PolarHBondContact O-N 2.91Å; F174-I177 VanDerWaalsContact O-N 3.07Å; I177-S179 VanDerWaalsContact C-N 3.29Å; I177-S179 PolarHBondContact O-N 2.84Å; I177-K180 CarbonylContact O-C 3.59Å; I177-K180 WeakPolarHBondContact O-CA 3.41Å; I177-K180 WeakPolarHBondContact O-CB 3.27Å; I177-K180 PolarHBondContact O-N 3.07Å; I177-L181 HydrophobicContact CG2-CD1 3.69Å; I177-L181 HydrophobicContact CG2-CG 4.06Å; I177-L181 WeakPolarHBondContact O-CG 3.32Å; I177-L181 PolarHBondContact O-N 2.97Å
178V87.6Confident84.6Confident12 Ų1270 Ų707%0.07337%0.366CS..Hα-helixtrans-57.4-43.6177.81700000111F174 K180 L181 L182 I187 A192F174-V178 HydrophobicContact CD1-CG2 4.22Å; F174-V178 HydrophobicContact CD2-CG2 4.19Å; F174-V178 HydrophobicContact CE1-CG2 3.81Å; F174-V178 HydrophobicContact CE2-CG2 3.76Å; F174-V178 HydrophobicContact CG-CG2 4.39Å; F174-V178 HydrophobicContact CZ-CG2 3.53Å; F174-V178 WeakPolarHBondContact O-CG2 3.38Å; F174-V178 PolarHBondContact O-N 2.95Å; V178-K180 VanDerWaalsContact C-N 3.29Å; V178-K180 PolarHBondContact O-N 3.18Å; V178-L181 PolarHBondContact O-N 3.46Å; V178-L182 HydrophobicContact CG1-CD1 4.04Å; V178-L182 WeakPolarHBondContact O-CG 3.39Å; V178-L182 PolarHBondContact O-N 3.13Å; V178-I187 HydrophobicContact CG1-CD1 4.22Å; V178-A192 HydrophobicContact CG1-CB 3.57Å
179S86.9Confident84.6Confident76 Ų7672.8 Ų72.853%0.53138%0.379SS..Hα-helixtrans-58.8-36.7173.5-630000113.1D175 I177 K183D175-S179 WeakPolarHBondContact O-CB 3.44Å; D175-S179 PolarHBondContact O-N 3.26Å; D175-S179 PolarHBondContact O-OG 2.7Å; I177-S179 VanDerWaalsContact C-N 3.29Å; I177-S179 PolarHBondContact O-N 2.84Å; S179-K183 VanDerWaalsContact O-CB 3.25Å; S179-K183 WeakPolarHBondContact O-CB 3.27Å; S179-K183 PolarHBondContact O-N 3.13Å; S179-K183 VanDerWaalsContact O-N 3.07Å
180K84.8Confident84.7Confident50 Ų5071.3 Ų71.322%0.21737%0.371CS..Hα-helixtrans-72.1-41.8175.3-70.5162.6-170.51620111.7D139 R176 I177 V178 K183 L184D139-K180 IonicContact OD1-NZ 3.86Å; D139-K180 PolarHBondContact OD1-NZ 3.39Å; D139-K180 VanDerWaalsContact OD2-CE 3.23Å; D139-K180 WeakPolarHBondContact OD2-CE 3.41Å; D139-K180 IonicContact OD2-NZ 2.73Å; D139-K180 PolarHBondContact OD2-NZ 2.98Å; R176-K180 VanDerWaalsContact O-CD 3.3Å; R176-K180 WeakPolarHBondContact O-CD 3.24Å; R176-K180 WeakPolarHBondContact O-CE 3.42Å; R176-K180 VanDerWaalsContact O-CG 3.25Å; R176-K180 WeakPolarHBondContact O-CG 3.45Å; R176-K180 PolarHBondContact O-N 3.47Å; I177-K180 CarbonylContact O-C 3.59Å; I177-K180 WeakPolarHBondContact O-CA 3.41Å; I177-K180 WeakPolarHBondContact O-CB 3.27Å; I177-K180 PolarHBondContact O-N 3.07Å; V178-K180 VanDerWaalsContact C-N 3.29Å; V178-K180 PolarHBondContact O-N 3.18Å; K180-K183 CarbonylContact O-C 3.57Å; K180-K183 PolarHBondContact O-N 2.71Å; K180-L184 WeakPolarHBondContact O-CB 3.31Å; K180-L184 VanDerWaalsContact O-CG 3.26Å; K180-L184 WeakPolarHBondContact O-CG 3.44Å; K180-L184 PolarHBondContact O-N 3.31Å
181L84.4Confident84.6Confident0 Ų072.6 Ų72.60%038%0.375CS..Hα-helixtrans-63.5-41.7178.7-68.8166.6000111.6F144 I157 I161 I177 V178 L184 G185 L186 I187F144-L181 HydrophobicContact CB-CD2 4.02Å; F144-L181 HydrophobicContact CD1-CD2 3.77Å; F144-L181 HydrophobicContact CD2-CD2 4.09Å; F144-L181 HydrophobicContact CE1-CD2 4.32Å; F144-L181 HydrophobicContact CG-CD2 3.66Å; I157-L181 HydrophobicContact CD1-CD2 4.37Å; I157-L181 HydrophobicContact CG2-CD1 3.45Å; I157-L181 VanDerWaalsContact CG2-CD1 3.45Å; I157-L181 HydrophobicContact CG2-CD2 4.21Å; I157-L181 HydrophobicContact CG2-CG 4.49Å; I161-L181 HydrophobicContact CD1-CD1 3.98Å; I177-L181 HydrophobicContact CG2-CD1 3.69Å; I177-L181 HydrophobicContact CG2-CG 4.06Å; I177-L181 WeakPolarHBondContact O-CG 3.32Å; I177-L181 PolarHBondContact O-N 2.97Å; V178-L181 PolarHBondContact O-N 3.46Å; L181-L184 PolarHBondContact O-N 3.39Å; L181-G185 PolarHBondContact O-N 2.7Å; L181-G185 VanDerWaalsContact O-N 3.11Å; L181-L186 HydrophobicContact CD2-CB 4.07Å; L181-L186 HydrophobicContact CD2-CD1 3.8Å; L181-L186 PolarHBondContact O-N 3.21Å; L181-I187 HydrophobicContact CB-CD1 3.54Å; L181-I187 HydrophobicContact CB-CG1 3.7Å; L181-I187 HydrophobicContact CB-CG2 4.27Å; L181-I187 HydrophobicContact CD1-CD1 4.16Å
182L85.1Confident84.7Confident60 Ų6064.6 Ų64.631%0.31435%0.347SS..Hα-helixtrans-61.7-47.7171.2-71.7167.9000111.2V178 L184 G185 I187 T188 E189 A192V178-L182 HydrophobicContact CG1-CD1 4.04Å; V178-L182 WeakPolarHBondContact O-CG 3.39Å; V178-L182 PolarHBondContact O-N 3.13Å; L182-L184 VanDerWaalsContact C-N 3.26Å; L182-L184 PolarHBondContact O-N 3.15Å; L182-G185 PolarHBondContact O-N 2.69Å; L182-I187 HydrophobicContact CD2-CD1 4.3Å; L182-I187 HydrophobicContact CD2-CG1 3.85Å; L182-I187 HydrophobicContact CG-CD1 4.1Å; L182-I187 HydrophobicContact CG-CG1 4Å; L182-T188 VanDerWaalsContact CD2-C 3.46Å; L182-E189 HydrophobicContact CD2-CG 3.99Å; L182-A192 HydrophobicContact CD1-CB 4.19Å; L182-A192 HydrophobicContact CD2-CB 4.33Å; L182-A192 HydrophobicContact CG-CB 4.48Å
183K87.1Confident84.6Confident189 Ų18968.5 Ų68.582%0.82236%0.362SS*.Hα-helixtrans-62.7-29.7177.7-175.2178.2-179.8-177.60113.6S179 K180S179-K183 VanDerWaalsContact O-CB 3.25Å; S179-K183 WeakPolarHBondContact O-CB 3.27Å; S179-K183 PolarHBondContact O-N 3.13Å; S179-K183 VanDerWaalsContact O-N 3.07Å; K180-K183 CarbonylContact O-C 3.57Å; K180-K183 PolarHBondContact O-N 2.71Å
184L81.8Confident84.6Confident93 Ų9371.6 Ų71.649%0.48738%0.381SS..THydrogen-bonded Turntrans-85.6-7.2175.1-69.8172.1000113.1F144 K180 L181 L182 L186F144-L184 HydrophobicContact CD2-CD1 4.49Å; K180-L184 WeakPolarHBondContact O-CB 3.31Å; K180-L184 VanDerWaalsContact O-CG 3.26Å; K180-L184 WeakPolarHBondContact O-CG 3.44Å; K180-L184 PolarHBondContact O-N 3.31Å; L181-L184 PolarHBondContact O-N 3.39Å; L182-L184 VanDerWaalsContact C-N 3.26Å; L182-L184 PolarHBondContact O-N 3.15Å; L184-L186 HydrophobicContact CB-CD1 3.87Å; L184-L186 HydrophobicContact CB-CG 3.94Å; L184-L186 HydrophobicContact CD1-CD1 3.89Å; L184-L186 PolarHBondContact O-N 3.19Å
185G79.9Confident84.6Confident63 Ų6371.1 Ų71.165%0.64938%0.379SS*.THydrogen-bonded Turntrans65.222.7-175.700000113.9L181 L182L181-G185 PolarHBondContact O-N 2.7Å; L181-G185 VanDerWaalsContact O-N 3.11Å; L182-G185 PolarHBondContact O-N 2.69Å
186L81.6Confident84.6Confident71 Ų7170 Ų7037%0.37237%0.371SS..SBendtrans-79.3-24.3177.8-70.9169.1000112.1F144 L181 L184F144-L186 HydrophobicContact CB-CD1 3.62Å; L181-L186 HydrophobicContact CD2-CB 4.07Å; L181-L186 HydrophobicContact CD2-CD1 3.8Å; L181-L186 PolarHBondContact O-N 3.21Å; L184-L186 HydrophobicContact CB-CD1 3.87Å; L184-L186 HydrophobicContact CB-CG 3.94Å; L184-L186 HydrophobicContact CD1-CD1 3.89Å; L184-L186 PolarHBondContact O-N 3.19Å
187I83.4Confident84.6Confident13 Ų1373 Ų737%0.06738%0.383CS..SBendtrans-135.6157.5175.570178.5000109.2I157 V178 L181 L182 Q191 A192 L195I157-I187 HydrophobicContact CD1-CG2 4.18Å; V178-I187 HydrophobicContact CG1-CD1 4.22Å; L181-I187 HydrophobicContact CB-CD1 3.54Å; L181-I187 HydrophobicContact CB-CG1 3.7Å; L181-I187 HydrophobicContact CB-CG2 4.27Å; L181-I187 HydrophobicContact CD1-CD1 4.16Å; L182-I187 HydrophobicContact CD2-CD1 4.3Å; L182-I187 HydrophobicContact CD2-CG1 3.85Å; L182-I187 HydrophobicContact CG-CD1 4.1Å; L182-I187 HydrophobicContact CG-CG1 4Å; I187-Q191 HydrophobicContact CB-CB 4.24Å; I187-A192 HydrophobicContact CD1-CB 4.07Å; I187-L195 HydrophobicContact CB-CD1 4.4Å; I187-L195 HydrophobicContact CD1-CD1 3.58Å; I187-L195 HydrophobicContact CG2-CD1 3.98Å
188T84.6Confident84.8Confident75 Ų7576.2 Ų76.246%0.4640%0.398SS..  trans-94.1164.2168660000111.6L182 N190 Q191 A192L182-T188 VanDerWaalsContact CD2-C 3.46Å; T188-N190 VanDerWaalsContact C-N 3.29Å; T188-N190 PolarHBondContact O-N 3.24Å; T188-Q191 WeakPolarHBondContact O-CA 3.42Å; T188-Q191 WeakPolarHBondContact O-CB 3.31Å; T188-Q191 PolarHBondContact O-N 3.21Å; T188-Q191 WeakPolarHBondContact OG1-CG 3.32Å; T188-Q191 PolarHBondContact OG1-N 3.08Å; T188-Q191 PolarHBondContact OG1-OE1 2.97Å; T188-A192 PolarHBondContact O-N 2.77Å
189E82.9Confident84.9Confident149 Ų14975.8 Ų75.870%0.69640%0.395SS*.Hα-helixtrans-54.9-44.9176-66.4172.4-177.600111.3L182 Q191 A192 D193L182-E189 HydrophobicContact CD2-CG 3.99Å; E189-Q191 PolarHBondContact O-N 3.35Å; E189-A192 WeakPolarHBondContact O-CB 3.47Å; E189-A192 PolarHBondContact O-N 3.48Å; E189-D193 PolarHBondContact O-N 3.44Å
190N83.6Confident84.9Confident126 Ų12674.7 Ų74.767%0.67439%0.391SS*.Hα-helixtrans-64.4-21.2175.7-57.1106.2000114.5T188T188-N190 VanDerWaalsContact C-N 3.29Å; T188-N190 PolarHBondContact O-N 3.24Å
191Q81.9Confident85.2Confident90 Ų9078.5 Ų78.542%0.42141%0.41SS..Hα-helixtrans-83.6-35.5172.7-71.3174.7-51.800111.2I187 T188 E189 D193 T194 L195I187-Q191 HydrophobicContact CB-CB 4.24Å; T188-Q191 WeakPolarHBondContact O-CA 3.42Å; T188-Q191 WeakPolarHBondContact O-CB 3.31Å; T188-Q191 PolarHBondContact O-N 3.21Å; T188-Q191 WeakPolarHBondContact OG1-CG 3.32Å; T188-Q191 PolarHBondContact OG1-N 3.08Å; T188-Q191 PolarHBondContact OG1-OE1 2.97Å; E189-Q191 PolarHBondContact O-N 3.35Å; Q191-D193 VanDerWaalsContact C-N 3.31Å; Q191-D193 PolarHBondContact O-N 3.3Å; Q191-T194 PolarHBondContact O-N 3.03Å; Q191-T194 VanDerWaalsContact O-N 3.08Å; Q191-T194 PolarHBondContact O-OG1 2.99Å; Q191-L195 VanDerWaalsContact O-CG 3.31Å; Q191-L195 WeakPolarHBondContact O-CG 3.23Å; Q191-L195 PolarHBondContact O-N 3.21Å
192A82.6Confident85.4Confident11 Ų1179 Ų799%0.09141%0.414CS..Hα-helixtrans-56-45.3173.300000111.7V178 L182 I187 T188 E189 T194 L195V178-A192 HydrophobicContact CG1-CB 3.57Å; L182-A192 HydrophobicContact CD1-CB 4.19Å; L182-A192 HydrophobicContact CD2-CB 4.33Å; L182-A192 HydrophobicContact CG-CB 4.48Å; I187-A192 HydrophobicContact CD1-CB 4.07Å; T188-A192 PolarHBondContact O-N 2.77Å; E189-A192 WeakPolarHBondContact O-CB 3.47Å; E189-A192 PolarHBondContact O-N 3.48Å; A192-T194 PolarHBondContact O-N 3.4Å; A192-L195 PolarHBondContact O-N 3.04Å
193D82.9Confident85.5Confident111 Ų11177.8 Ų77.859%0.59441%0.407SS*.Hα-helixtrans-57-31.5176-60.2-25.5000113.1E189 Q191E189-D193 PolarHBondContact O-N 3.44Å; Q191-D193 VanDerWaalsContact C-N 3.31Å; Q191-D193 PolarHBondContact O-N 3.3Å
194T87Confident85.6Confident69 Ų6975.2 Ų75.242%0.42340%0.398SS..Hα-helixtrans-89-20.5178570000113.9Q191 A192 Q198Q191-T194 PolarHBondContact O-N 3.03Å; Q191-T194 VanDerWaalsContact O-N 3.08Å; Q191-T194 PolarHBondContact O-OG1 2.99Å; A192-T194 PolarHBondContact O-N 3.4Å; T194-Q198 PolarHBondContact O-N 3.22Å
195L87.4Confident85.9Confident5 Ų576 Ų763%0.02640%0.403CS..Hα-helixtrans-72.8-27.1-177.3-81.6167000112.7V158 F174 I187 Q191 A192 Y197 Q198 V199V158-L195 HydrophobicContact CG2-CD2 3.35Å; F174-L195 HydrophobicContact CZ-CB 4.47Å; I187-L195 HydrophobicContact CB-CD1 4.4Å; I187-L195 HydrophobicContact CD1-CD1 3.58Å; I187-L195 HydrophobicContact CG2-CD1 3.98Å; Q191-L195 VanDerWaalsContact O-CG 3.31Å; Q191-L195 WeakPolarHBondContact O-CG 3.23Å; Q191-L195 PolarHBondContact O-N 3.21Å; A192-L195 PolarHBondContact O-N 3.04Å; L195-Y197 VanDerWaalsContact C-N 3.35Å; L195-Y197 PolarHBondContact O-N 3.28Å; L195-Q198 PolarHBondContact O-N 3.42Å; L195-V199 VanDerWaalsContact O-CB 3.31Å; L195-V199 WeakPolarHBondContact O-CB 3.48Å; L195-V199 VanDerWaalsContact O-CG2 3.27Å; L195-V199 WeakPolarHBondContact O-CG2 3.3Å; L195-V199 PolarHBondContact O-N 2.69Å
196E87.7Confident86.3Confident77 Ų7774.2 Ų74.236%0.3638%0.378SS..Hα-helixtrans-60-47.1177.5-171.4177.2-166.300110.8R171 F174 A200R171-E196 IonicContact CZ-OE1 3.67Å; R171-E196 IonicContact NH2-OE1 3.49Å; R171-E196 PolarHBondContact NH2-OE1 3.37Å; F174-E196 HydrophobicContact CE1-CB 3.88Å; F174-E196 HydrophobicContact CE1-CG 4.08Å; F174-E196 HydrophobicContact CE2-CB 4.35Å; F174-E196 HydrophobicContact CZ-CB 3.58Å; F174-E196 HydrophobicContact CZ-CG 4.12Å; E196-A200 WeakPolarHBondContact O-CB 3.25Å; E196-A200 PolarHBondContact O-N 3.27Å
197Y89.8Confident86.4Confident182 Ų18274.7 Ų74.771%0.71438%0.38SS*.Hα-helixtrans-65-42.3177.9-64.4-74000112.7L195 A200 E201L195-Y197 VanDerWaalsContact C-N 3.35Å; L195-Y197 PolarHBondContact O-N 3.28Å; Y197-A200 PolarHBondContact O-N 3.21Å; Y197-E201 PolarHBondContact O-N 3.46Å
198Q88.5Confident86.6Confident78 Ų7876.5 Ų76.536%0.36439%0.392SS..Hα-helixtrans-67.9-40.8179.6-68.1174.6-9.200112.1V158 T194 L195 E201 A202V158-Q198 HydrophobicContact CG1-CB 4.11Å; V158-Q198 WeakPolarHBondContact CG1-O 3.33Å; V158-Q198 HydrophobicContact CG2-CB 3.71Å; T194-Q198 PolarHBondContact O-N 3.22Å; L195-Q198 PolarHBondContact O-N 3.42Å; Q198-E201 PolarHBondContact O-N 3.21Å; Q198-A202 WeakPolarHBondContact O-CB 3.39Å; Q198-A202 PolarHBondContact O-N 3.05Å
199V90Very high86.7Confident3 Ų379.3 Ų79.32%0.01840%0.398CS..Hα-helixtrans-67.6-38.3175.3170.30000111.3V158 I161 A162 I165 F174 L195 A202 L203V158-V199 HydrophobicContact CB-CG2 4.33Å; V158-V199 HydrophobicContact CG1-CG2 4.17Å; V158-V199 HydrophobicContact CG2-CG2 4.26Å; I161-V199 HydrophobicContact CB-CG1 4.2Å; I161-V199 HydrophobicContact CB-CG2 3.87Å; I161-V199 HydrophobicContact CD1-CG2 3.95Å; I161-V199 HydrophobicContact CG2-CB 4.45Å; I161-V199 HydrophobicContact CG2-CG1 3.66Å; I161-V199 HydrophobicContact CG2-CG2 3.93Å; A162-V199 HydrophobicContact CB-CG1 4.41Å; I165-V199 HydrophobicContact CD1-CG1 3.71Å; F174-V199 HydrophobicContact CD2-CB 4.22Å; F174-V199 HydrophobicContact CD2-CG1 4.02Å; F174-V199 HydrophobicContact CD2-CG2 4.34Å; F174-V199 HydrophobicContact CE2-CB 3.99Å; F174-V199 HydrophobicContact CE2-CG1 4.31Å; F174-V199 HydrophobicContact CE2-CG2 3.95Å; L195-V199 VanDerWaalsContact O-CB 3.31Å; L195-V199 WeakPolarHBondContact O-CB 3.48Å; L195-V199 VanDerWaalsContact O-CG2 3.27Å; L195-V199 WeakPolarHBondContact O-CG2 3.3Å; L195-V199 PolarHBondContact O-N 2.69Å; V199-A202 PolarHBondContact O-N 3.43Å; V199-L203 WeakPolarHBondContact O-CB 3.2Å; V199-L203 PolarHBondContact O-N 3.11Å
200A87Confident86.6Confident53 Ų5374.8 Ų74.844%0.43838%0.378SS..Hα-helixtrans-62.7-43.2175.100000112.1E196 Y197 L203 Q204E196-A200 WeakPolarHBondContact O-CB 3.25Å; E196-A200 PolarHBondContact O-N 3.27Å; Y197-A200 PolarHBondContact O-N 3.21Å; A200-L203 PolarHBondContact O-N 3.35Å; A200-Q204 WeakPolarHBondContact O-CB 3.18Å; A200-Q204 PolarHBondContact O-N 3.29Å
201E90.6Very high86.5Confident131 Ų13171.5 Ų71.561%0.61237%0.369SS*.Hα-helixtrans-62.4-50.2175.2-173.6170-162.200111.3Y197 Q198 L203 Q204 D205Y197-E201 PolarHBondContact O-N 3.46Å; Q198-E201 PolarHBondContact O-N 3.21Å; E201-L203 VanDerWaalsContact C-N 3.34Å; E201-L203 PolarHBondContact O-N 3.48Å; E201-Q204 PolarHBondContact O-N 2.95Å; E201-D205 PolarHBondContact O-N 2.89Å
202A88.1Confident86.3Confident10 Ų1072.9 Ų72.98%0.08337%0.373CS..Hα-helixtrans-64.9-33.2178.300000113.6V158 A162 Q198 V199 L206V158-A202 HydrophobicContact CG1-CB 3.57Å; A162-A202 HydrophobicContact CB-CB 4.05Å; Q198-A202 WeakPolarHBondContact O-CB 3.39Å; Q198-A202 PolarHBondContact O-N 3.05Å; V199-A202 PolarHBondContact O-N 3.43Å; A202-L206 VanDerWaalsContact O-CB 3.28Å; A202-L206 WeakPolarHBondContact O-CB 3.39Å; A202-L206 PolarHBondContact O-N 2.83Å
203L87.9Confident85.7Confident35 Ų3576.6 Ų76.618%0.18339%0.392CS..Hα-helixtrans-69.6-42.8173.7179.565.5000111.1A162 I165 Y166 V199 A200 E201 D205 L206 I207A162-L203 HydrophobicContact CB-CB 4.1Å; A162-L203 WeakPolarHBondContact O-CD1 3.45Å; I165-L203 HydrophobicContact CG2-CD1 4.46Å; I165-L203 HydrophobicContact CG2-CD2 3.84Å; Y166-L203 HydrophobicContact CD2-CD1 4.5Å; V199-L203 WeakPolarHBondContact O-CB 3.2Å; V199-L203 PolarHBondContact O-N 3.11Å; A200-L203 PolarHBondContact O-N 3.35Å; E201-L203 VanDerWaalsContact C-N 3.34Å; E201-L203 PolarHBondContact O-N 3.48Å; L203-D205 VanDerWaalsContact C-N 3.34Å; L203-D205 PolarHBondContact O-N 3.42Å; L203-L206 PolarHBondContact O-N 3.33Å; L203-I207 HydrophobicContact CD1-CD1 4.18Å; L203-I207 HydrophobicContact CD1-CG1 4.43Å; L203-I207 HydrophobicContact CG-CD1 3.94Å; L203-I207 WeakPolarHBondContact O-CB 3.45Å; L203-I207 VanDerWaalsContact O-CG1 3.27Å; L203-I207 WeakPolarHBondContact O-CG1 3.25Å; L203-I207 PolarHBondContact O-N 3.44Å
204Q88.2Confident84.7Confident134 Ų13475.6 Ų75.663%0.62639%0.387SS*.Hα-helixtrans-62.1-41.8175-178.6175.4-8.800111.5A200 E201 T208A200-Q204 WeakPolarHBondContact O-CB 3.18Å; A200-Q204 PolarHBondContact O-N 3.29Å; E201-Q204 PolarHBondContact O-N 2.95Å; Q204-T208 VanDerWaalsContact O-CB 3.26Å; Q204-T208 WeakPolarHBondContact O-CB 3.27Å; Q204-T208 PolarHBondContact O-N 3.43Å; Q204-T208 PolarHBondContact O-OG1 2.95Å
205D88.5Confident83.2Confident110 Ų11078.7 Ų78.759%0.58840%0.396SS*.Hα-helixtrans-65.4-40.2174-95.52.1000112E201 L203 T208 K209E201-D205 PolarHBondContact O-N 2.89Å; L203-D205 VanDerWaalsContact C-N 3.34Å; L203-D205 PolarHBondContact O-N 3.42Å; D205-T208 PolarHBondContact O-N 3.49Å; D205-K209 WeakPolarHBondContact O-CB 3.41Å; D205-K209 PolarHBondContact O-N 3.48Å
206L87.8Confident81.5Confident25 Ų2582.9 Ų82.913%0.13142%0.418CS..Hα-helixtrans-62-47.2175.4-178.266.6000111.8N163 Y166 A202 L203 K209 N210N163-L206 WeakPolarHBondContact OD1-CD2 3.36Å; Y166-L206 HydrophobicContact CD1-CD2 4.2Å; Y166-L206 HydrophobicContact CG-CD2 3.9Å; Y166-L206 HydrophobicContact CG-CG 4.5Å; A202-L206 VanDerWaalsContact O-CB 3.28Å; A202-L206 WeakPolarHBondContact O-CB 3.39Å; A202-L206 PolarHBondContact O-N 2.83Å; L203-L206 PolarHBondContact O-N 3.33Å; L206-K209 PolarHBondContact O-N 3.38Å; L206-N210 WeakPolarHBondContact O-CB 3.42Å; L206-N210 PolarHBondContact O-N 3.25Å
207I84.7Confident79.7Confident82 Ų8284.6 Ų84.642%0.42143%0.426SS..Hα-helixtrans-61.3-47.4175.8-68.3164.2000109.9Y166 L203 K209 N210 A211Y166-I207 HydrophobicContact CD2-CG1 3.85Å; Y166-I207 HydrophobicContact CE2-CG1 3.92Å; L203-I207 HydrophobicContact CD1-CD1 4.18Å; L203-I207 HydrophobicContact CD1-CG1 4.43Å; L203-I207 HydrophobicContact CG-CD1 3.94Å; L203-I207 WeakPolarHBondContact O-CB 3.45Å; L203-I207 VanDerWaalsContact O-CG1 3.27Å; L203-I207 WeakPolarHBondContact O-CG1 3.25Å; L203-I207 PolarHBondContact O-N 3.44Å; I207-K209 VanDerWaalsContact C-N 3.29Å; I207-K209 PolarHBondContact O-N 2.89Å; I207-N210 PolarHBondContact O-N 2.73Å; I207-A211 VanDerWaalsContact O-CB 3.3Å; I207-A211 WeakPolarHBondContact O-CB 3.21Å; I207-A211 PolarHBondContact O-N 3.03Å
208T87.9Confident77.6Confident50 Ų5080.8 Ų80.831%0.30742%0.418SS..Hα-helixtrans-61.9-37.7179.1-58.50000111.9Q204 D205 K212Q204-T208 VanDerWaalsContact O-CB 3.26Å; Q204-T208 WeakPolarHBondContact O-CB 3.27Å; Q204-T208 PolarHBondContact O-N 3.43Å; Q204-T208 PolarHBondContact O-OG1 2.95Å; D205-T208 PolarHBondContact O-N 3.49Å; T208-K212 HydrophobicContact CG2-CD 4.25Å; T208-K212 WeakPolarHBondContact O-CB 3.32Å; T208-K212 WeakPolarHBondContact O-CD 3.4Å; T208-K212 VanDerWaalsContact O-CG 3.27Å; T208-K212 WeakPolarHBondContact O-CG 3.35Å; T208-K212 PolarHBondContact O-N 3.49Å; T208-K212 VanDerWaalsContact O-N 3.1Å
209K86.8Confident75.5Confident135 Ų13582.7 Ų82.759%0.58743%0.428SS*.Hα-helixtrans-73.1-41.6178.8-175.8178.7179.7-177.70112.2D205 L206 I207 K212 N213D205-K209 WeakPolarHBondContact O-CB 3.41Å; D205-K209 PolarHBondContact O-N 3.48Å; L206-K209 PolarHBondContact O-N 3.38Å; I207-K209 VanDerWaalsContact C-N 3.29Å; I207-K209 PolarHBondContact O-N 2.89Å; K209-K212 PolarHBondContact O-N 3.24Å; K209-N213 WeakPolarHBondContact O-CB 3.5Å; K209-N213 PolarHBondContact O-N 3.38Å
210N79.9Confident73.3Confident53 Ų5387.4 Ų87.428%0.28345%0.453SS..Hα-helixtrans-68.4-39.7175.2-76.5-12.7000111.5Y166 L206 I207 K212 N213 N214Y166-N210 WeakPolarHBondContact CE1-ND2 3.27Å; Y166-N210 VanDerWaalsContact CZ-ND2 3.34Å; Y166-N210 PolarHBondContact OH-ND2 3.03Å; L206-N210 WeakPolarHBondContact O-CB 3.42Å; L206-N210 PolarHBondContact O-N 3.25Å; I207-N210 PolarHBondContact O-N 2.73Å; N210-K212 PolarHBondContact O-N 3.45Å; N210-N213 PolarHBondContact O-N 3.26Å; N210-N214 WeakPolarHBondContact O-CB 3.43Å; N210-N214 PolarHBondContact O-N 3.28Å
211A81.1Confident71.3Confident58 Ų5892.3 Ų92.348%0.47947%0.467SS..Hα-helixtrans-59.5-45.9173.500000112I207 N214 E215I207-A211 VanDerWaalsContact O-CB 3.3Å; I207-A211 WeakPolarHBondContact O-CB 3.21Å; I207-A211 PolarHBondContact O-N 3.03Å; A211-N214 PolarHBondContact O-N 2.99Å; A211-E215 WeakPolarHBondContact O-CB 3.47Å; A211-E215 PolarHBondContact O-N 3.33Å
212K77.2Confident68.8Low118 Ų11894.4 Ų94.451%0.51348%0.477SS..Hα-helixtrans-64.6-39.2174.6-74.3169.5-177.5170.90112.9T208 K209 N210 N214 E215 I216T208-K212 HydrophobicContact CG2-CD 4.25Å; T208-K212 WeakPolarHBondContact O-CB 3.32Å; T208-K212 WeakPolarHBondContact O-CD 3.4Å; T208-K212 VanDerWaalsContact O-CG 3.27Å; T208-K212 WeakPolarHBondContact O-CG 3.35Å; T208-K212 PolarHBondContact O-N 3.49Å; T208-K212 VanDerWaalsContact O-N 3.1Å; K209-K212 PolarHBondContact O-N 3.24Å; N210-K212 PolarHBondContact O-N 3.45Å; K212-N214 VanDerWaalsContact C-N 3.35Å; K212-E215 PolarHBondContact O-N 3.47Å; K212-I216 WeakPolarHBondContact O-CB 3.42Å; K212-I216 WeakPolarHBondContact O-CD1 3.49Å; K212-I216 WeakPolarHBondContact O-CG1 3.4Å; K212-I216 PolarHBondContact O-N 3.38Å
213N70.6Confident66.4Low90 Ų9097.2 Ų97.248%0.48150%0.496SS..Hα-helixtrans-66-37.7175.1-87.219.6000111.8K209 N210 I216 E217K209-N213 WeakPolarHBondContact O-CB 3.5Å; K209-N213 PolarHBondContact O-N 3.38Å; N210-N213 PolarHBondContact O-N 3.26Å; N213-I216 PolarHBondContact O-N 3.29Å; N213-E217 WeakPolarHBondContact O-CB 3.48Å; N213-E217 PolarHBondContact O-N 2.93Å
214N61.2Low64.2Low90 Ų90107.1 Ų107.148%0.48153%0.531SS..Hα-helixtrans-69-41.3176.1-155.699.9000111.4N210 A211 K212 I216 E217 D218N210-N214 WeakPolarHBondContact O-CB 3.43Å; N210-N214 PolarHBondContact O-N 3.28Å; A211-N214 PolarHBondContact O-N 2.99Å; K212-N214 VanDerWaalsContact C-N 3.35Å; N214-I216 VanDerWaalsContact C-N 3.27Å; N214-I216 PolarHBondContact O-N 2.67Å; N214-E217 PolarHBondContact O-N 2.84Å; N214-E217 VanDerWaalsContact O-N 3.16Å; N214-D218 PolarHBondContact ND2-OD2 2.92Å; N214-D218 WeakPolarHBondContact O-CB 3.5Å; N214-D218 VanDerWaalsContact O-CG 3.26Å; N214-D218 PolarHBondContact O-N 2.92Å
215E55.5Low61.9Low134 Ų134103.1 Ų103.163%0.62653%0.526SS*.Hα-helixtrans-59.3-37.1172.8-176-179.1-163.900112.1A211 K212 M219A211-E215 WeakPolarHBondContact O-CB 3.47Å; A211-E215 PolarHBondContact O-N 3.33Å; K212-E215 PolarHBondContact O-N 3.47Å; E215-M219 WeakPolarHBondContact O-CG 3.5Å; E215-M219 PolarHBondContact O-N 3.33Å
216I52.3Low59.6Low93 Ų93107.3 Ų107.348%0.47754%0.542SS..Hα-helixtrans-73.2-39.4174.4-66.3162.6000111.2K212 N213 N214 M219 D220K212-I216 WeakPolarHBondContact O-CB 3.42Å; K212-I216 WeakPolarHBondContact O-CD1 3.49Å; K212-I216 WeakPolarHBondContact O-CG1 3.4Å; K212-I216 PolarHBondContact O-N 3.38Å; N213-I216 PolarHBondContact O-N 3.29Å; N214-I216 VanDerWaalsContact C-N 3.27Å; N214-I216 PolarHBondContact O-N 2.67Å; I216-M219 CarbonylContact O-C 3.6Å; I216-M219 PolarHBondContact O-N 2.73Å; I216-D220 WeakPolarHBondContact O-CB 3.34Å; I216-D220 PolarHBondContact O-N 3.47Å
217E50.6Low57.2Low112 Ų112115.4 Ų115.452%0.52358%0.579SS.*Hα-helixtrans-70.9-34.6179.2-166.5161.6-162.100112.5N213 N214 M219 D220 Q221N213-E217 WeakPolarHBondContact O-CB 3.48Å; N213-E217 PolarHBondContact O-N 2.93Å; N214-E217 PolarHBondContact O-N 2.84Å; N214-E217 VanDerWaalsContact O-N 3.16Å; E217-M219 VanDerWaalsContact C-N 3.26Å; E217-M219 PolarHBondContact O-N 3.37Å; E217-D220 PolarHBondContact O-N 2.84Å; E217-Q221 PolarHBondContact O-N 3.31Å
218D44.8Very low54.9Low102 Ų102119.3 Ų119.355%0.54560%0.601SS.*Hα-helixtrans-65.2-27.7170.4-71.2-35.5000112.1N214N214-D218 PolarHBondContact ND2-OD2 2.92Å; N214-D218 WeakPolarHBondContact O-CB 3.5Å; N214-D218 VanDerWaalsContact O-CG 3.26Å; N214-D218 PolarHBondContact O-N 2.92Å
219M44Very low52.4Low119 Ų119123.8 Ų123.859%0.58662%0.623SS**Hα-helixtrans-86-32.2172.4-74.9-81.893.600113.7E215 I216 E217 S223E215-M219 WeakPolarHBondContact O-CG 3.5Å; E215-M219 PolarHBondContact O-N 3.33Å; I216-M219 CarbonylContact O-C 3.6Å; I216-M219 PolarHBondContact O-N 2.73Å; E217-M219 VanDerWaalsContact C-N 3.26Å; E217-M219 PolarHBondContact O-N 3.37Å; M219-S223 VanDerWaalsContact O-CB 3.23Å; M219-S223 WeakPolarHBondContact O-CB 3.34Å; M219-S223 PolarHBondContact O-N 2.84Å; M219-S223 VanDerWaalsContact O-N 3.15Å; M219-S223 PolarHBondContact O-OG 3.28Å
220D45.6Very low50Low102 Ų102124.7 Ų124.755%0.54563%0.633SS.*Hα-helixtrans-81.2-21.4-177.6-81.6-12.3000113.2I216 E217I216-D220 WeakPolarHBondContact O-CB 3.34Å; I216-D220 PolarHBondContact O-N 3.47Å; E217-D220 PolarHBondContact O-N 2.84Å
221Q43.3Very low47.9Very low156 Ų156126 Ų12673%0.72966%0.659SS**THydrogen-bonded Turntrans-78.5-28.4171.4-71.6-164.320.200113.7E217E217-Q221 PolarHBondContact O-N 3.31Å
222E39.8Very low45.6Very low175 Ų175128.7 Ų128.782%0.81867%0.674SS**THydrogen-bonded Turntrans-96.2-12.8179-158.1157.7-129.800113.7
223S37.8Very low43.8Very low69 Ų69130.2 Ų130.248%0.48369%0.688SS.*  trans-99.59.1179.5680000116.1M219 G225M219-S223 VanDerWaalsContact O-CB 3.23Å; M219-S223 WeakPolarHBondContact O-CB 3.34Å; M219-S223 PolarHBondContact O-N 2.84Å; M219-S223 VanDerWaalsContact O-N 3.15Å; M219-S223 PolarHBondContact O-OG 3.28Å; S223-G225 PolarHBondContact O-N 3.13Å
224R39.8Very low42Very low243 Ų243132.6 Ų132.692%0.91771%0.706SS**  trans-76.945.6172.1-158.1-170.4158118.6-0.6113.1
225G39.8Very low40.8Very low50 Ų50135.9 Ų135.952%0.51572%0.724SS.*SBendtrans-147.7103.6172.700000109.5S223S223-G225 PolarHBondContact O-N 3.13Å
226E42.2Very low39.8Very low198 Ų198133.3 Ų133.393%0.92573%0.725SS**  trans62.485.3168.5-69.3149.4108.800117.2
227Q37.4Very low38.9Very low194 Ų194139.4 Ų139.491%0.90774%0.742SS**  trans-99.2110.4138.7-87.6-169.5-7.400109.4
228D35.9Very low38.1Very low165 Ų165142 Ų14288%0.88276%0.755SS**  trans-148.4111.4147.7-107.4-24.7000109.6
229D35.4Very low37.7Very low144 Ų144143.7 Ų143.777%0.7777%0.769SS**  trans82.1146.8149.3-146.114.3000122.4
230L36.1Very low37.4Very low153 Ų153143.9 Ų143.980%0.80178%0.779SS**  trans69.9114.3166.8-50.1179.7000119.4
231G35.9Very low36.8Very low80 Ų80150.8 Ų150.883%0.82580%0.797SS**  trans-105.1173.6168.800000114.2
232S33.5Very low36.2Very low116 Ų116153.2 Ų153.281%0.81180%0.8SS**  trans-165.7145.1158.4-178.80000109.4
233D37.8Very low35.7Very low149 Ų149153.9 Ų153.980%0.79780%0.795SS**  trans-58.7144.8164.6-57.7-60.1000111
234T33.4Very low35.7Very low141 Ų141159.6 Ų159.687%0.86581%0.807SS**  trans-168.6135.7140.68.40000111.5
235D36.7Very low35.4Very low159 Ų159152.4 Ų152.485%0.8579%0.787SS**  trans-74.7165.2-179.9-62.1-80.3000115
236A34.5Very low35.1Very low80 Ų80158.2 Ų158.266%0.66180%0.8SS**  trans91.3164.3156.100000120.1
237W32.8Very low34.7Very low220 Ų220156.5 Ų156.583%0.83379%0.792SS**  trans82.896.6179.1-44.6106.6000115.2
238E33Very low34.5Very low167 Ų167154.2 Ų154.278%0.7879%0.787SS**  73.3127.472.3-75.8-160.414200116
239T36Very low34.4Very low137 Ų137153 Ų15384%0.8478%0.78SS**  trans-76.8125.3-171.4-37.20000113.2R241T239-R241 PolarHBondContact O-N 2.79Å; T239-R241 VanDerWaalsContact O-N 3.13Å
240P37.7Very low34.3Very low123 Ų123152.1 Ų152.180%0.79978%0.775SS**  trans-71.1106.5176.6-22.835.6000113.9
241R34Very low34.3Very low247 Ų247152.8 Ų152.893%0.93277%0.774SS**  trans-67.4127159.8-81.9178.3164.2175.2-5109.7T239T239-R241 PolarHBondContact O-N 2.79Å; T239-R241 VanDerWaalsContact O-N 3.13Å
242R30.5Very low34.2Very low208 Ų208155 Ų15579%0.78577%0.772SS**  trans-95.1105.4173.5-157.1171-167.8164.9-1.1110.4Y244R242-Y244 HydrophobicContact CG-CD2 4.45Å; R242-Y244 HydrophobicContact CG-CE2 3.89Å; R242-Y244 PolarHBondContact NE-OH 2.88Å; R242-Y244 PolarHBondContact NH2-OH 3.49Å
243R29.4Very low34.4Very low189 Ų189154.3 Ų154.371%0.71377%0.773SS**  trans-114.6138.6171.7-170.8-170.5-136.5-120.22.9107.3D245R243-D245 WeakPolarHBondContact CD-OD2 3.42Å; R243-D245 IonicContact CZ-OD1 3.88Å; R243-D245 IonicContact CZ-OD2 3.77Å; R243-D245 IonicContact NE-OD1 2.67Å; R243-D245 IonicContact NE-OD2 4Å; R243-D245 IonicContact NH1-OD1 3.71Å; R243-D245 PolarHBondContact NH1-OD1 3.39Å; R243-D245 IonicContact NH1-OD2 3.24Å; R243-D245 PolarHBondContact NH1-OD2 2.9Å
244Y37.8Very low34.2Very low189 Ų189154.4 Ų154.474%0.74177%0.774SS**  trans-127.6128.5163.4-71-72.3000107R242R242-Y244 HydrophobicContact CG-CD2 4.45Å; R242-Y244 HydrophobicContact CG-CE2 3.89Å; R242-Y244 PolarHBondContact NE-OH 2.88Å; R242-Y244 PolarHBondContact NH2-OH 3.49Å
245D32.7Very low34.2Very low91 Ų91154.9 Ų154.949%0.48777%0.771SS.*  trans-111.4147.2175.5-65.6-60.2000108.8R243R243-D245 WeakPolarHBondContact CD-OD2 3.42Å; R243-D245 IonicContact CZ-OD1 3.88Å; R243-D245 IonicContact CZ-OD2 3.77Å; R243-D245 IonicContact NE-OD1 2.67Å; R243-D245 IonicContact NE-OD2 4Å; R243-D245 IonicContact NH1-OD1 3.71Å; R243-D245 PolarHBondContact NH1-OD1 3.39Å; R243-D245 IonicContact NH1-OD2 3.24Å; R243-D245 PolarHBondContact NH1-OD2 2.9Å
246E34.2Very low34.1Very low172 Ų172154.1 Ų154.180%0.80477%0.766SS**  trans61.3150.6151.2-73.9147.8173.300118.8
247E34.5Very low34.2Very low162 Ų162157.6 Ų157.676%0.75777%0.774SS**  cis-158.7143.829-139158.9-132.800110.8
248D33.3Very low34.5Very low147 Ų147154 Ų15479%0.78677%0.771SS**  trans34.8144151.7-56.2-20.8000122.8
249D32.7Very low34.8Very low139 Ų139154.1 Ų154.174%0.74377%0.772SS**  -167.1169.355.1-140.8-15.2000115.5
250D34Very low34.8Very low126 Ų126154 Ų15467%0.67477%0.771SS**  trans73.2103.2155.7-72.1-32.8000125.3
251E34.9Very low34.8Very low167 Ų167152.8 Ų152.878%0.7877%0.772SS**  76103.7118.5-74.8-152.5167.300125.6
252V35.3Very low34.9Very low127 Ų127148.6 Ų148.677%0.7777%0.768SS**  trans44.8129.4130-63.60000123.9
253A36.4Very low35.2Very low101 Ų101147.6 Ų147.684%0.83577%0.772SS**  -178.4144.2107.100000113.5
254N33.8Very low35.6Very low151 Ų151144.5 Ų144.581%0.80777%0.774SS**  trans-91.2153.9169.6-64.8-73.1000111.6
255N34.5Very low35.5Very low150 Ų150143.2 Ų143.280%0.80278%0.78SS**  -177.5111.9129.9-96.6-27.2000112.3
256D34.1Very low35.6Very low143 Ų143149.7 Ų149.777%0.76580%0.797SS**  29.3120.7118.8-59.9-4.5000120.8
257D36.3Very low35.6Very low153 Ų153149.6 Ų149.682%0.81880%0.802SS**  70.5123115.5-14627.8000121.2
258D38.7Very low35.6Very low145 Ų145146.3 Ų146.378%0.77580%0.803SS**  trans-159.2133.3137.6-160.710000111.8
259E40.4Very low35.5Very low169 Ų169148 Ų14879%0.7981%0.806SS**  trans-91.4132171.5-60.8178.6132.500109.6
260T35.5Very low35.7Very low134 Ų134149.6 Ų149.682%0.82281%0.809SS**  trans-141.5106.9155.731.30000112.3
261A38.9Very low35.4Very low99 Ų99150.1 Ų150.182%0.81881%0.812SS**  trans-90.2141.5154.400000108.6
262D35.4Very low35.9Very low159 Ų159148.8 Ų148.885%0.8582%0.815SS**  trans-145.9115.3164.4-138-1.2000109.7
263E36.4Very low35.8Very low186 Ų186149.2 Ų149.287%0.86981%0.813SS**  trans-89.6127.6175.1-66.9179.2156.400109.6
264V38.8Very low35.5Very low124 Ų124151.3 Ų151.375%0.75281%0.81SS**  trans-144.497.4162.2-82.90000112.6
265D35.2Very low35.6Very low162 Ų162148.7 Ų148.787%0.86680%0.804SS**  trans-59.5136.8163.4-74.3-42.4000111.9
266R35Very low35.6Very low228 Ų228152.7 Ų152.786%0.8681%0.808SS**  trans-154.2123.7138.6-68.9-160.3175.667.110.9111.8
267D34.4Very low35.5Very low169 Ų169152.9 Ų152.990%0.90481%0.808SS**  trans-60.7143.1167.5-67.4-58000113.2
268A32.5Very low35.4Very low93 Ų93154.8 Ų154.877%0.76981%0.809SS**  176.999.712700000113.1
269E32.8Very low34.9Very low182 Ų182156.2 Ų156.285%0.8581%0.811SS**  trans43.8129141.5-55.6-68.1-171.800123.7
270E35.4Very low35.1Very low174 Ų174158.1 Ų158.181%0.81382%0.817SS**  trans82.4147.5137.8-149.4160.6-145.500121.8
271D29.4Very low35.2Very low137 Ų137159.8 Ų159.873%0.73382%0.815SS**  trans71.587172.5-70.4-27.5000121.6
272V44.6Very low35.2Very low138 Ų138163 Ų16384%0.83681%0.813SS**  20.8106.4122.7-170.20000117.9
273D34.1Very low35.3Very low137 Ų137158.7 Ų158.773%0.73381%0.807SS**  165116.1116.5-171.38.4000109
274N29.4Very low35.7Very low144 Ų144153.3 Ų153.377%0.7778%0.784SS**  trans-148.285.7174.2-90.6-50.4000111.2W276N274-W276 PolarHBondContact O-N 3.34Å
275S36.2Very low35.9Very low97 Ų97156.2 Ų156.268%0.67879%0.789SS**  trans-16.6113.5141.1161.80000114.6
276W33.2Very low36.4Very low234 Ų234149.9 Ų149.989%0.88676%0.757SS**  trans-130.596.1153-7991.6000109.6N274N274-W276 PolarHBondContact O-N 3.34Å
277D32.3Very low36.9Very low146 Ų146142.8 Ų142.878%0.78174%0.736SS**  trans-63.8152158.3-105.4-48.9000110
278K34Very low37.7Very low194 Ų194139.5 Ų139.584%0.84372%0.724SS**  trans73.7123.7171-126.8169.5-179.7-1780113.4
279E29.6Very low38.6Very low174 Ų174143.2 Ų143.281%0.81373%0.725SS**  cis-113.3139.332.1-73.3166.7141.700115.7E281E279-E281 PolarHBondContact O-N 3.21Å
280K43.3Very low39.7Very low210 Ų210137.6 Ų137.691%0.91370%0.701SS**  trans-81.489.2153.5-70.6178.6176-178.30107.5
281E39Very low41Very low168 Ų168130.4 Ų130.479%0.78567%0.673SS**  trans-88.9109.1151.3-80.8-158.9146.600108.1E279E279-E281 PolarHBondContact O-N 3.21Å
282E39Very low42.7Very low166 Ų166124.2 Ų124.278%0.77664%0.64SS**  trans37.693.9156.9-60.3-175.815900116N284E282-N284 PolarHBondContact O-N 3.17Å
283G37.4Very low43.8Very low69 Ų69122.4 Ų122.471%0.71162%0.622SS**  trans-50.2119.9154.300000108.2E285G283-E285 PolarHBondContact O-N 2.9Å
284N44.5Very low45.5Very low73 Ų73120 Ų12039%0.3961%0.61SS.*  trans-73.555.4178.2-169104.1000109.5E282 V286 Y302E282-N284 PolarHBondContact O-N 3.17Å; N284-V286 PolarHBondContact O-N 2.99Å; N284-Y302 VanDerWaalsContact CG-OH 3.23Å; N284-Y302 PolarHBondContact ND2-OH 3.1Å; N284-Y302 PolarHBondContact OD1-OH 2.75Å
285E42.4Very low47.9Very low185 Ų185113.2 Ų113.286%0.86457%0.573SS**  trans-70.179.6165.4-70.8-174.2164.800106.8G283 N287G283-E285 PolarHBondContact O-N 2.9Å; E285-N287 PolarHBondContact O-N 2.81Å; E285-N287 VanDerWaalsContact O-N 3.1Å
286V46.3Very low49.7Very low30 Ų30113.7 Ų113.718%0.18257%0.565CS.*  trans-48.5117.7163.6-85.60000107.9N284 P288 L292 Q293N284-V286 PolarHBondContact O-N 2.99Å; V286-P288 VanDerWaalsContact O-N 3.13Å; V286-L292 HydrophobicContact CG1-CB 3.93Å; V286-L292 HydrophobicContact CG1-CD1 4.41Å; V286-Q293 HydrophobicContact CG2-CG 3.66Å
287N46Very low51.9Low79 Ų79110.9 Ų110.942%0.42256%0.555SS.*  trans-49.5124.4172.7178.73.8000107.1E285 E289 D290E285-N287 PolarHBondContact O-N 2.81Å; E285-N287 VanDerWaalsContact O-N 3.1Å; N287-E289 PolarHBondContact ND2-OE2 3.44Å; N287-E289 PolarHBondContact O-N 3.35Å; N287-E289 PolarHBondContact OD1-N 3.36Å; N287-D290 WeakPolarHBondContact O-CB 3.39Å; N287-D290 PolarHBondContact O-N 2.89Å
288P51.3Low54.5Low100 Ų100105 Ų10565%0.64952%0.523SS*.G310 helixtrans-54.5-23-17919-33000113.7V286V286-P288 VanDerWaalsContact O-N 3.13Å
289E49.6Very low56.9Low170 Ų170100.1 Ų100.179%0.79451%0.511SS*.G310 helixtrans-68.9-29.1175.2-59.4175.5144.600113.8N287 G291N287-E289 PolarHBondContact ND2-OE2 3.44Å; N287-E289 PolarHBondContact O-N 3.35Å; N287-E289 PolarHBondContact OD1-N 3.36Å; E289-G291 PolarHBondContact O-N 2.96Å
290D57.3Low59.7Low65 Ų6594.5 Ų94.535%0.34849%0.487SS..G310 helixtrans-72.6-15.6-178.4-145.5-28.8000111.9N287 L292 R317N287-D290 WeakPolarHBondContact O-CB 3.39Å; N287-D290 PolarHBondContact O-N 2.89Å; D290-L292 HydrophobicContact CB-CD1 4.47Å; D290-L292 HydrophobicContact CB-CG 4.2Å; D290-L292 PolarHBondContact O-N 3.33Å; D290-R317 IonicContact OD1-CZ 2.72Å; D290-R317 IonicContact OD1-NH2 2.66Å; D290-R317 PolarHBondContact OD1-NH2 3.36Å; D290-R317 IonicContact OD2-CZ 3.63Å; D290-R317 IonicContact OD2-NH2 3.88Å; D290-R317 PolarHBondContact OD2-NH2 2.83Å
291G61.2Low61.8Low22 Ų2284.5 Ų84.523%0.22744%0.443CS..  trans5920.2175.700000114.7E289 Q293 K325E289-G291 PolarHBondContact O-N 2.96Å; G291-Q293 VanDerWaalsContact C-N 3.33Å; G291-K325 WeakPolarHBondContact O-CE 3.46Å; G291-K325 PolarHBondContact O-NZ 3.5Å
292L66.4Low64.1Low8 Ų878.8 Ų78.84%0.04242%0.415CS..  trans-82.1-3.6-176.6-70.4-175.2000114.5V286 D290 D294 L295 Q296 Y302 L305 I321V286-L292 HydrophobicContact CG1-CB 3.93Å; V286-L292 HydrophobicContact CG1-CD1 4.41Å; D290-L292 HydrophobicContact CB-CD1 4.47Å; D290-L292 HydrophobicContact CB-CG 4.2Å; D290-L292 PolarHBondContact O-N 3.33Å; L292-D294 PolarHBondContact O-N 2.98Å; L292-L295 HydrophobicContact CD2-CD1 3.79Å; L292-L295 CarbonylContact O-C 3.58Å; L292-L295 WeakPolarHBondContact O-CA 3.48Å; L292-L295 WeakPolarHBondContact O-CB 3.42Å; L292-L295 PolarHBondContact O-N 2.96Å; L292-Q296 PolarHBondContact O-N 2.85Å; L292-Y302 HydrophobicContact CD1-CE2 4.33Å; L292-L305 HydrophobicContact CD2-CD1 3.74Å; L292-I321 HydrophobicContact CD2-CD1 3.52Å; L292-I321 HydrophobicContact CD2-CG1 3.72Å
293Q68.3Low66.3Low99 Ų9978.8 Ų78.846%0.46341%0.407SS..G310 helixtrans-58.8-46.7-173.7-67.1167.16.400112.2V286 G291 L295 Q296V286-Q293 HydrophobicContact CG2-CG 3.66Å; G291-Q293 VanDerWaalsContact C-N 3.33Å; Q293-L295 PolarHBondContact O-N 3.31Å; Q293-L295 VanDerWaalsContact O-N 3.17Å; Q293-Q296 WeakPolarHBondContact O-CB 3.2Å; Q293-Q296 PolarHBondContact O-N 3.18Å
294D69.6Low68.6Low88 Ų8875.9 Ų75.947%0.47138%0.376SS..G310 helixtrans-64.5-17.8174.6-70.7-17.4000113.4L292L292-D294 PolarHBondContact O-N 2.98Å
295L78.4Confident70.6Confident0 Ų072.5 Ų72.50%036%0.357CS..G310 helixtrans-95.3-9.3-176.8-62171.5000113.2L292 Q293 Y297 F298 F301 L305 I321 M324 I328L292-L295 HydrophobicContact CD2-CD1 3.79Å; L292-L295 CarbonylContact O-C 3.58Å; L292-L295 WeakPolarHBondContact O-CA 3.48Å; L292-L295 WeakPolarHBondContact O-CB 3.42Å; L292-L295 PolarHBondContact O-N 2.96Å; Q293-L295 PolarHBondContact O-N 3.31Å; Q293-L295 VanDerWaalsContact O-N 3.17Å; L295-Y297 PolarHBondContact O-N 3.43Å; L295-F298 HydrophobicContact CD2-CD2 4.18Å; L295-F298 PolarHBondContact O-N 3.09Å; L295-F298 VanDerWaalsContact O-N 3.09Å; L295-F301 HydrophobicContact CD1-CE1 3.94Å; L295-F301 HydrophobicContact CD2-CD1 4.11Å; L295-F301 HydrophobicContact CD2-CE1 3.85Å; L295-F301 HydrophobicContact CG-CE1 4.37Å; L295-L305 HydrophobicContact CD1-CD1 4.16Å; L295-I321 HydrophobicContact CD1-CB 4.14Å; L295-I321 HydrophobicContact CD1-CG1 3.87Å; L295-I321 HydrophobicContact CD1-CG2 3.88Å; L295-M324 HydrophobicContact CD2-CB 3.83Å; L295-M324 HydrophobicContact CD2-CG 3.49Å; L295-M324 VanDerWaalsContact CD2-CG 3.49Å; L295-I328 HydrophobicContact CD2-CD1 3.9Å
296Q75.1Confident72.5Confident107 Ų10770.1 Ų70.150%0.534%0.344SS..THydrogen-bonded Turntrans-60.8-26173.4-169.4176.540.600112.5L292 Q293 F298L292-Q296 PolarHBondContact O-N 2.85Å; Q293-Q296 WeakPolarHBondContact O-CB 3.2Å; Q293-Q296 PolarHBondContact O-N 3.18Å; Q296-F298 PolarHBondContact O-N 3.25Å
297Y78.3Confident74.2Confident176 Ų17672.1 Ų72.169%0.6936%0.36SS*.THydrogen-bonded Turntrans-74.9-1.3176.9-57-72.8000114.2L295L295-Y297 PolarHBondContact O-N 3.43Å
298F86.9Confident75.8Confident22 Ų2268.8 Ų68.810%0.09634%0.342CS..  trans-120.488.2-177.9-60.9-63.8000110.8L295 Q296 N300 F301 Y302 M324 I328 L349 D353L295-F298 HydrophobicContact CD2-CD2 4.18Å; L295-F298 PolarHBondContact O-N 3.09Å; L295-F298 VanDerWaalsContact O-N 3.09Å; Q296-F298 PolarHBondContact O-N 3.25Å; F298-N300 PolarHBondContact O-N 2.92Å; F298-F301 HydrophobicContact CB-CB 4.07Å; F298-F301 PolarHBondContact O-N 3.46Å; F298-Y302 VanDerWaalsContact O-CB 3.25Å; F298-Y302 WeakPolarHBondContact O-CB 3.07Å; F298-Y302 PolarHBondContact O-N 3.24Å; F298-M324 HydrophobicContact CB-CE 4.24Å; F298-M324 HydrophobicContact CD1-CE 3.55Å; F298-M324 HydrophobicContact CD2-CE 3.72Å; F298-M324 HydrophobicContact CE1-CE 3.82Å; F298-M324 HydrophobicContact CE2-CE 3.99Å; F298-M324 HydrophobicContact CG-CE 3.51Å; F298-M324 HydrophobicContact CZ-CE 4.02Å; F298-I328 HydrophobicContact CD2-CD1 4.17Å; F298-I328 HydrophobicContact CE2-CD1 3.43Å; F298-I328 VanDerWaalsContact CE2-CD1 3.43Å; F298-I328 HydrophobicContact CE2-CG1 3.92Å; F298-I328 HydrophobicContact CZ-CD1 4.13Å; F298-I328 HydrophobicContact CZ-CG1 4.1Å; F298-L349 HydrophobicContact CE1-CB 3.63Å; F298-L349 HydrophobicContact CZ-CB 4Å; F298-L349 HydrophobicContact CZ-CD1 4.19Å; F298-D353 VanDerWaalsContact C-OD1 3.23Å; F298-D353 HydrophobicContact CB-CB 4.15Å; F298-D353 WeakPolarHBondContact CB-OD1 3.2Å; F298-D353 HydrophobicContact CD1-CB 3.95Å; F298-D353 HydrophobicContact CG-CB 4.45Å
299P85.8Confident76.7Confident91 Ų9170 Ų7059%0.59134%0.343SS*.Hα-helixtrans-66.1-33.3-165.6-24.235.1000114.9R303P299-R303 WeakPolarHBondContact O-CB 3.05Å; P299-R303 PolarHBondContact O-N 3.46Å
300N88.1Confident78.1Confident57 Ų5764.6 Ų64.631%0.30532%0.324SS..Hα-helixtrans-78.2-38.4-177.9-63.2-76.4000111.3F298 R303 L304 D353 A357F298-N300 PolarHBondContact O-N 2.92Å; N300-R303 PolarHBondContact OD1-NH2 3.47Å; N300-L304 PolarHBondContact O-N 2.72Å; N300-D353 WeakPolarHBondContact CB-OD2 3.31Å; N300-D353 PolarHBondContact N-OD1 2.94Å; N300-D353 VanDerWaalsContact N-OD1 3.08Å; N300-D353 PolarHBondContact N-OD2 3.21Å; N300-D353 PolarHBondContact ND2-OD2 3.4Å; N300-A357 HydrophobicContact CB-CB 3.51Å
301F87.9Confident78.6Confident0 Ų070.3 Ų70.30%035%0.349CS..Hα-helixtrans-71.8-42.2177.2-175.2-106000111.5L295 F298 R303 L304 L305 L320 M324 D353 I356L295-F301 HydrophobicContact CD1-CE1 3.94Å; L295-F301 HydrophobicContact CD2-CD1 4.11Å; L295-F301 HydrophobicContact CD2-CE1 3.85Å; L295-F301 HydrophobicContact CG-CE1 4.37Å; F298-F301 HydrophobicContact CB-CB 4.07Å; F298-F301 PolarHBondContact O-N 3.46Å; F301-R303 VanDerWaalsContact C-N 3.31Å; F301-R303 PolarHBondContact O-N 2.86Å; F301-L304 HydrophobicContact CD2-CD2 4.15Å; F301-L304 HydrophobicContact CE2-CD2 4.33Å; F301-L304 WeakPolarHBondContact O-CA 3.42Å; F301-L304 WeakPolarHBondContact O-CB 3.49Å; F301-L304 PolarHBondContact O-N 3.01Å; F301-L304 VanDerWaalsContact O-N 3.08Å; F301-L305 HydrophobicContact CD1-CD1 3.96Å; F301-L305 HydrophobicContact CD1-CG 4.39Å; F301-L305 HydrophobicContact CE1-CD1 3.52Å; F301-L305 HydrophobicContact CE1-CD2 4.37Å; F301-L305 HydrophobicContact CE1-CG 4.06Å; F301-L305 HydrophobicContact CZ-CD1 4.03Å; F301-L305 HydrophobicContact CZ-CD2 4.02Å; F301-L305 HydrophobicContact CZ-CG 4.15Å; F301-L305 WeakPolarHBondContact O-CG 3.28Å; F301-L305 PolarHBondContact O-N 3.05Å; F301-L320 HydrophobicContact CE2-CB 3.92Å; F301-L320 HydrophobicContact CE2-CD2 4.22Å; F301-L320 HydrophobicContact CZ-CB 3.85Å; F301-L320 WeakPolarHBondContact CZ-O 3.31Å; F301-M324 HydrophobicContact CD1-CB 4.21Å; F301-M324 HydrophobicContact CD1-CG 3.93Å; F301-M324 HydrophobicContact CE1-CB 3.53Å; F301-M324 HydrophobicContact CE1-CG 3.77Å; F301-M324 HydrophobicContact CE2-CB 4.3Å; F301-M324 HydrophobicContact CG-CG 4.47Å; F301-M324 HydrophobicContact CZ-CB 3.61Å; F301-M324 HydrophobicContact CZ-CG 4.21Å; F301-D353 WeakPolarHBondContact CB-OD1 3.36Å; F301-D353 PolarHBondContact N-OD1 2.93Å; F301-I356 HydrophobicContact CD2-CB 4.36Å; F301-I356 HydrophobicContact CD2-CG2 3.72Å; F301-I356 HydrophobicContact CE2-CG2 3.7Å
302Y85.9Confident79Confident47 Ų4777.1 Ų77.118%0.18437%0.374CS..Hα-helixtrans-58.9-43.4171.9-170.7-101.4000111.7N284 L292 F298 L304 L305 K306N284-Y302 VanDerWaalsContact CG-OH 3.23Å; N284-Y302 PolarHBondContact ND2-OH 3.1Å; N284-Y302 PolarHBondContact OD1-OH 2.75Å; L292-Y302 HydrophobicContact CD1-CE2 4.33Å; F298-Y302 VanDerWaalsContact O-CB 3.25Å; F298-Y302 WeakPolarHBondContact O-CB 3.07Å; F298-Y302 PolarHBondContact O-N 3.24Å; Y302-L304 VanDerWaalsContact C-N 3.34Å; Y302-L304 PolarHBondContact O-N 2.98Å; Y302-L305 PolarHBondContact O-N 3.41Å; Y302-K306 PolarHBondContact O-N 2.86Å
303R85.3Confident79.6Confident166 Ų16678.3 Ų78.363%0.62638%0.381SS*.Hα-helixtrans-66.3-32.7173.9-174.3177.959.9-171.3-9.5113P299 N300 F301 S307P299-R303 WeakPolarHBondContact O-CB 3.05Å; P299-R303 PolarHBondContact O-N 3.46Å; N300-R303 PolarHBondContact OD1-NH2 3.47Å; F301-R303 VanDerWaalsContact C-N 3.31Å; F301-R303 PolarHBondContact O-N 2.86Å; R303-S307 PolarHBondContact O-N 3.1Å; R303-S307 PolarHBondContact O-OG 3.07Å
304L86.6Confident80.2Confident8 Ų875.7 Ų75.74%0.04238%0.376CS..Hα-helixtrans-63.7-49.4172172.274000110.5N300 F301 Y302 K306 S307 L308 L320 T360 K361N300-L304 PolarHBondContact O-N 2.72Å; F301-L304 HydrophobicContact CD2-CD2 4.15Å; F301-L304 HydrophobicContact CE2-CD2 4.33Å; F301-L304 WeakPolarHBondContact O-CA 3.42Å; F301-L304 WeakPolarHBondContact O-CB 3.49Å; F301-L304 PolarHBondContact O-N 3.01Å; F301-L304 VanDerWaalsContact O-N 3.08Å; Y302-L304 VanDerWaalsContact C-N 3.34Å; Y302-L304 PolarHBondContact O-N 2.98Å; L304-K306 VanDerWaalsContact C-N 3.32Å; L304-K306 PolarHBondContact O-N 3.26Å; L304-S307 WeakPolarHBondContact CA-OG 3.04Å; L304-S307 CarbonylContact O-C 3.53Å; L304-S307 WeakPolarHBondContact O-CA 3.35Å; L304-S307 PolarHBondContact O-N 3.31Å; L304-S307 PolarHBondContact O-OG 3.34Å; L304-L308 HydrophobicContact CD1-CD1 4.15Å; L304-L308 HydrophobicContact CG-CD1 4.06Å; L304-L308 WeakPolarHBondContact O-CG 3.27Å; L304-L308 PolarHBondContact O-N 3.03Å; L304-L320 HydrophobicContact CD2-CD1 4.06Å; L304-L320 HydrophobicContact CD2-CD2 4.44Å; L304-T360 HydrophobicContact CD1-CG2 4.14Å; L304-T360 HydrophobicContact CD2-CG2 3.87Å; L304-K361 HydrophobicContact CD1-CB 4.37Å
305L85.8Confident80.7Confident2 Ų278.7 Ų78.71%0.0139%0.387CS..Hα-helixtrans-61.6-39.4178.9-64.2175.2000111.7L292 L295 F301 Y302 S307 L308 R317 L320 I321L292-L305 HydrophobicContact CD2-CD1 3.74Å; L295-L305 HydrophobicContact CD1-CD1 4.16Å; F301-L305 HydrophobicContact CD1-CD1 3.96Å; F301-L305 HydrophobicContact CD1-CG 4.39Å; F301-L305 HydrophobicContact CE1-CD1 3.52Å; F301-L305 HydrophobicContact CE1-CD2 4.37Å; F301-L305 HydrophobicContact CE1-CG 4.06Å; F301-L305 HydrophobicContact CZ-CD1 4.03Å; F301-L305 HydrophobicContact CZ-CD2 4.02Å; F301-L305 HydrophobicContact CZ-CG 4.15Å; F301-L305 WeakPolarHBondContact O-CG 3.28Å; F301-L305 PolarHBondContact O-N 3.05Å; Y302-L305 PolarHBondContact O-N 3.41Å; L305-S307 PolarHBondContact O-N 3.13Å; L305-L308 CarbonylContact O-C 3.52Å; L305-L308 PolarHBondContact O-N 3.37Å; L305-L308 VanDerWaalsContact O-N 3.09Å; L305-R317 HydrophobicContact CD2-CB 4.48Å; L305-R317 HydrophobicContact CD2-CG 3.82Å; L305-L320 HydrophobicContact CD2-CB 3.93Å; L305-L320 HydrophobicContact CD2-CD1 4.38Å; L305-I321 HydrophobicContact CD1-CD1 4.41Å; L305-I321 HydrophobicContact CD1-CG1 3.74Å; L305-I321 HydrophobicContact CD2-CG1 3.98Å
306K82.9Confident80.9Confident135 Ų13582.5 Ų82.559%0.58741%0.405SS*.Hα-helixtrans-67.7-17173.1-172164.6-177.2169.70113.6Y302 L304Y302-K306 PolarHBondContact O-N 2.86Å; L304-K306 VanDerWaalsContact C-N 3.32Å; L304-K306 PolarHBondContact O-N 3.26Å
307S82Confident81.4Confident72 Ų7280.2 Ų80.250%0.50339%0.392SS..THydrogen-bonded Turntrans-94.55171.464.80000114.3R303 L304 L305R303-S307 PolarHBondContact O-N 3.1Å; R303-S307 PolarHBondContact O-OG 3.07Å; L304-S307 WeakPolarHBondContact CA-OG 3.04Å; L304-S307 CarbonylContact O-C 3.53Å; L304-S307 WeakPolarHBondContact O-CA 3.35Å; L304-S307 PolarHBondContact O-N 3.31Å; L304-S307 PolarHBondContact O-OG 3.34Å; L305-S307 PolarHBondContact O-N 3.13Å
308L80.3Confident81.8Confident9 Ų978 Ų785%0.04739%0.388CS..  trans-121.451.4175.6-64.4170.6000108.2L304 L305 D313 R317 L320 L364L304-L308 HydrophobicContact CD1-CD1 4.15Å; L304-L308 HydrophobicContact CG-CD1 4.06Å; L304-L308 WeakPolarHBondContact O-CG 3.27Å; L304-L308 PolarHBondContact O-N 3.03Å; L305-L308 CarbonylContact O-C 3.52Å; L305-L308 PolarHBondContact O-N 3.37Å; L305-L308 VanDerWaalsContact O-N 3.09Å; L308-D313 HydrophobicContact CB-CB 4Å; L308-D313 HydrophobicContact CD2-CB 3.98Å; L308-R317 HydrophobicContact CB-CB 4.48Å; L308-L320 HydrophobicContact CD1-CD1 3.49Å; L308-L320 VanDerWaalsContact CD1-CD1 3.49Å; L308-L364 HydrophobicContact CD1-CD1 3.94Å; L308-L364 HydrophobicContact CD2-CD1 3.67Å; L308-L364 HydrophobicContact CG-CD1 4.48Å
309D70.2Confident81.7Confident126 Ų12680.5 Ų80.567%0.67441%0.405SS*.  trans-94.4-4-178.361.1-21.6000113.3
310S77.8Confident81.9Confident56 Ų5676.9 Ų76.939%0.39238%0.38SS..SBendtrans-67.6142.7169.8-176.90000111.6Q312 D313 A314S310-Q312 PolarHBondContact O-N 3.12Å; S310-Q312 PolarHBondContact OG-N 2.83Å; S310-D313 WeakPolarHBondContact O-CA 3.44Å; S310-D313 PolarHBondContact O-N 3.11Å; S310-A314 PolarHBondContact O-N 3.21Å
311E68.9Low81.9Confident186 Ų18674.8 Ų74.887%0.86937%0.369SS*.G310 helixtrans-60.9-29.2175.9-171.8168.7-164.800112.5D313 A314E311-D313 PolarHBondContact O-N 2.92Å; E311-A314 WeakPolarHBondContact O-CB 3.16Å; E311-A314 PolarHBondContact O-N 3.28Å
312Q68.9Low81.9Confident164 Ų16478.7 Ų78.777%0.76639%0.393SS*.G310 helixtrans-64.8-28.6172-178.4174.1-18.700112.8S310S310-Q312 PolarHBondContact O-N 3.12Å; S310-Q312 PolarHBondContact OG-N 2.83Å
313D78.8Confident82Confident34 Ų3480.1 Ų80.118%0.18240%0.403CS..G310 helixtrans-98.7-3-174.2-56.3-22.5000112.1L308 S310 E311 Q315 E316 R317L308-D313 HydrophobicContact CB-CB 4Å; L308-D313 HydrophobicContact CD2-CB 3.98Å; S310-D313 WeakPolarHBondContact O-CA 3.44Å; S310-D313 PolarHBondContact O-N 3.11Å; E311-D313 PolarHBondContact O-N 2.92Å; D313-Q315 VanDerWaalsContact C-N 3.34Å; D313-Q315 PolarHBondContact O-N 2.83Å; D313-E316 PolarHBondContact O-N 2.66Å; D313-R317 WeakPolarHBondContact O-CB 3.48Å; D313-R317 PolarHBondContact O-N 2.84Å
314A80.1Confident82.1Confident43 Ų4372.2 Ų72.236%0.35537%0.373SS..Hα-helixtrans-56.5-43.7-178.400000112.8S310 E311 E316 R317 E318S310-A314 PolarHBondContact O-N 3.21Å; E311-A314 WeakPolarHBondContact O-CB 3.16Å; E311-A314 PolarHBondContact O-N 3.28Å; A314-E316 VanDerWaalsContact C-N 3.33Å; A314-E316 PolarHBondContact O-N 3.33Å; A314-R317 WeakPolarHBondContact O-CB 3.34Å; A314-R317 PolarHBondContact O-N 3.48Å; A314-E318 WeakPolarHBondContact O-CG 3.43Å; A314-E318 PolarHBondContact O-N 3.43Å
315Q81.3Confident82.2Confident152 Ų15274.9 Ų74.971%0.7138%0.384SS*.Hα-helixtrans-64.5-36.5176.1-173.1-179.611.100112.2D313 T319D313-Q315 VanDerWaalsContact C-N 3.34Å; D313-Q315 PolarHBondContact O-N 2.83Å; Q315-T319 WeakPolarHBondContact O-CB 3.4Å; Q315-T319 PolarHBondContact O-N 2.86Å; Q315-T319 PolarHBondContact O-OG1 2.79Å
316E82.8Confident82.3Confident80 Ų8078.9 Ų78.937%0.37441%0.409SS..Hα-helixtrans-72.3-39.2177.7-58.7-162.6149.700111D313 A314 T319 L320 L364D313-E316 PolarHBondContact O-N 2.66Å; A314-E316 VanDerWaalsContact C-N 3.33Å; A314-E316 PolarHBondContact O-N 3.33Å; E316-T319 PolarHBondContact O-N 3.05Å; E316-L320 WeakPolarHBondContact O-CB 3.39Å; E316-L320 WeakPolarHBondContact O-CD1 3.35Å; E316-L320 WeakPolarHBondContact O-CG 3.29Å; E316-L320 PolarHBondContact O-N 3.48Å; E316-L364 WeakPolarHBondContact OE2-CD1 3.26Å; E316-L364 WeakPolarHBondContact OE2-CD2 3.46Å
317R84.7Confident82.6Confident59 Ų5974.8 Ų74.822%0.22339%0.393CS..Hα-helixtrans-58.4-50.4173-177.2-173.9158.1178.9-6.1111.4D290 L305 L308 D313 A314 T319 L320 I321D290-R317 IonicContact OD1-CZ 2.72Å; D290-R317 IonicContact OD1-NH2 2.66Å; D290-R317 PolarHBondContact OD1-NH2 3.36Å; D290-R317 IonicContact OD2-CZ 3.63Å; D290-R317 IonicContact OD2-NH2 3.88Å; D290-R317 PolarHBondContact OD2-NH2 2.83Å; L305-R317 HydrophobicContact CD2-CB 4.48Å; L305-R317 HydrophobicContact CD2-CG 3.82Å; L308-R317 HydrophobicContact CB-CB 4.48Å; D313-R317 WeakPolarHBondContact O-CB 3.48Å; D313-R317 PolarHBondContact O-N 2.84Å; A314-R317 WeakPolarHBondContact O-CB 3.34Å; A314-R317 PolarHBondContact O-N 3.48Å; R317-T319 PolarHBondContact O-N 3.35Å; R317-L320 PolarHBondContact O-N 3.06Å; R317-I321 HydrophobicContact CG-CD1 4.01Å; R317-I321 WeakPolarHBondContact O-CB 3.45Å; R317-I321 WeakPolarHBondContact O-CD1 3.27Å; R317-I321 WeakPolarHBondContact O-CG1 3.37Å; R317-I321 PolarHBondContact O-N 3.28Å
318E86.1Confident82.9Confident130 Ų13072 Ų7261%0.60737%0.372SS*.Hα-helixtrans-60.4-42.3174.4-74-178.1176.600112.8A314 I321 T322A314-E318 WeakPolarHBondContact O-CG 3.43Å; A314-E318 PolarHBondContact O-N 3.43Å; E318-I321 PolarHBondContact O-N 3.22Å; E318-T322 WeakPolarHBondContact O-CB 3.41Å; E318-T322 PolarHBondContact O-N 3.01Å; E318-T322 PolarHBondContact O-OG1 3.44Å
319T86.8Confident83.4Confident73 Ų7375.7 Ų75.745%0.44839%0.393SS..Hα-helixtrans-62.2-44.9177.5-61.40000111Q315 E316 R317 T322 I323Q315-T319 WeakPolarHBondContact O-CB 3.4Å; Q315-T319 PolarHBondContact O-N 2.86Å; Q315-T319 PolarHBondContact O-OG1 2.79Å; E316-T319 PolarHBondContact O-N 3.05Å; R317-T319 PolarHBondContact O-N 3.35Å; T319-T322 PolarHBondContact O-N 3.34Å; T319-I323 HydrophobicContact CG2-CD1 3.97Å; T319-I323 VanDerWaalsContact O-CG1 3.29Å; T319-I323 WeakPolarHBondContact O-CG1 3.31Å; T319-I323 PolarHBondContact O-N 3.32Å
320L88.8Confident84.3Confident15 Ų1575 Ų758%0.07938%0.384CS..Hα-helixtrans-62.3-47.9175.8-74.5163.5000111.3F301 L304 L305 L308 E316 R317 T322 I323 M324 I356 T360F301-L320 HydrophobicContact CE2-CB 3.92Å; F301-L320 HydrophobicContact CE2-CD2 4.22Å; F301-L320 HydrophobicContact CZ-CB 3.85Å; F301-L320 WeakPolarHBondContact CZ-O 3.31Å; L304-L320 HydrophobicContact CD2-CD1 4.06Å; L304-L320 HydrophobicContact CD2-CD2 4.44Å; L305-L320 HydrophobicContact CD2-CB 3.93Å; L305-L320 HydrophobicContact CD2-CD1 4.38Å; L308-L320 HydrophobicContact CD1-CD1 3.49Å; L308-L320 VanDerWaalsContact CD1-CD1 3.49Å; E316-L320 WeakPolarHBondContact O-CB 3.39Å; E316-L320 WeakPolarHBondContact O-CD1 3.35Å; E316-L320 WeakPolarHBondContact O-CG 3.29Å; E316-L320 PolarHBondContact O-N 3.48Å; R317-L320 PolarHBondContact O-N 3.06Å; L320-T322 VanDerWaalsContact C-N 3.26Å; L320-T322 PolarHBondContact O-N 3.44Å; L320-I323 PolarHBondContact O-N 3.25Å; L320-M324 PolarHBondContact O-N 3.49Å; L320-I356 HydrophobicContact CD2-CG2 4Å; L320-T360 HydrophobicContact CD1-CG2 3.82Å; L320-T360 HydrophobicContact CD2-CG2 4Å
321I87.4Confident84.9Confident13 Ų1373 Ų737%0.06737%0.369CS..Hα-helixtrans-53.9-46.1176-72.4162000110.4L292 L295 L305 R317 E318 M324 K325L292-I321 HydrophobicContact CD2-CD1 3.52Å; L292-I321 HydrophobicContact CD2-CG1 3.72Å; L295-I321 HydrophobicContact CD1-CB 4.14Å; L295-I321 HydrophobicContact CD1-CG1 3.87Å; L295-I321 HydrophobicContact CD1-CG2 3.88Å; L305-I321 HydrophobicContact CD1-CD1 4.41Å; L305-I321 HydrophobicContact CD1-CG1 3.74Å; L305-I321 HydrophobicContact CD2-CG1 3.98Å; R317-I321 HydrophobicContact CG-CD1 4.01Å; R317-I321 WeakPolarHBondContact O-CB 3.45Å; R317-I321 WeakPolarHBondContact O-CD1 3.27Å; R317-I321 WeakPolarHBondContact O-CG1 3.37Å; R317-I321 PolarHBondContact O-N 3.28Å; E318-I321 PolarHBondContact O-N 3.22Å; I321-M324 PolarHBondContact O-N 3.44Å; I321-K325 HydrophobicContact CG2-CD 3.97Å; I321-K325 WeakPolarHBondContact O-CB 3.45Å; I321-K325 WeakPolarHBondContact O-CG 3.24Å; I321-K325 PolarHBondContact O-N 3.21Å
322T89.5Confident85.9Confident82 Ų8269.1 Ų69.150%0.50335%0.349SS..Hα-helixtrans-63.6-46.6178.7-580000111.6E318 T319 L320 M324 K325 T326E318-T322 WeakPolarHBondContact O-CB 3.41Å; E318-T322 PolarHBondContact O-N 3.01Å; E318-T322 PolarHBondContact O-OG1 3.44Å; T319-T322 PolarHBondContact O-N 3.34Å; L320-T322 VanDerWaalsContact C-N 3.26Å; L320-T322 PolarHBondContact O-N 3.44Å; T322-M324 PolarHBondContact O-N 3.4Å; T322-K325 PolarHBondContact O-N 3.35Å; T322-T326 WeakPolarHBondContact O-CG2 3.5Å; T322-T326 PolarHBondContact O-N 3.03Å; T322-T326 PolarHBondContact O-OG1 3.05Å
323I86.9Confident86.7Confident77 Ų7765.7 Ų65.740%0.39533%0.334SS..Hα-helixtrans-58.3-49.5176.7-70.9164.4000110.4T319 L320 K325 T326 L327T319-I323 HydrophobicContact CG2-CD1 3.97Å; T319-I323 VanDerWaalsContact O-CG1 3.29Å; T319-I323 WeakPolarHBondContact O-CG1 3.31Å; T319-I323 PolarHBondContact O-N 3.32Å; L320-I323 PolarHBondContact O-N 3.25Å; I323-K325 PolarHBondContact O-N 3.5Å; I323-T326 PolarHBondContact O-N 3.45Å; I323-T326 PolarHBondContact O-OG1 3.37Å; I323-L327 HydrophobicContact CG2-CD1 3.89Å; I323-L327 WeakPolarHBondContact O-CG 3.44Å; I323-L327 PolarHBondContact O-N 3.27Å
324M87.9Confident87Confident0 Ų066.5 Ų66.50%034%0.338CS..Hα-helixtrans-65.9-39.8-177.8-166.660177.100112L295 F298 F301 L320 I321 T322 L327 I328 D353 I356L295-M324 HydrophobicContact CD2-CB 3.83Å; L295-M324 HydrophobicContact CD2-CG 3.49Å; L295-M324 VanDerWaalsContact CD2-CG 3.49Å; F298-M324 HydrophobicContact CB-CE 4.24Å; F298-M324 HydrophobicContact CD1-CE 3.55Å; F298-M324 HydrophobicContact CD2-CE 3.72Å; F298-M324 HydrophobicContact CE1-CE 3.82Å; F298-M324 HydrophobicContact CE2-CE 3.99Å; F298-M324 HydrophobicContact CG-CE 3.51Å; F298-M324 HydrophobicContact CZ-CE 4.02Å; F301-M324 HydrophobicContact CD1-CB 4.21Å; F301-M324 HydrophobicContact CD1-CG 3.93Å; F301-M324 HydrophobicContact CE1-CB 3.53Å; F301-M324 HydrophobicContact CE1-CG 3.77Å; F301-M324 HydrophobicContact CE2-CB 4.3Å; F301-M324 HydrophobicContact CG-CG 4.47Å; F301-M324 HydrophobicContact CZ-CB 3.61Å; F301-M324 HydrophobicContact CZ-CG 4.21Å; L320-M324 PolarHBondContact O-N 3.49Å; I321-M324 PolarHBondContact O-N 3.44Å; T322-M324 PolarHBondContact O-N 3.4Å; M324-L327 PolarHBondContact O-N 3.3Å; M324-I328 HydrophobicContact CG-CD1 4.05Å; M324-I328 WeakPolarHBondContact O-CB 3.21Å; M324-I328 WeakPolarHBondContact O-CD1 3.42Å; M324-I328 WeakPolarHBondContact O-CG1 3.27Å; M324-I328 PolarHBondContact O-N 3.17Å; M324-D353 HydrophobicContact CE-CB 4.49Å; M324-I356 HydrophobicContact SD-CD1 3.93Å
325K89.1Confident87.6Confident64 Ų6466.7 Ų66.728%0.27833%0.334SS..Hα-helixtrans-59.8-46.2173.1-76.4175.3176.61730112.5G291 I321 T322 I323 L327 I328 D329G291-K325 WeakPolarHBondContact O-CE 3.46Å; G291-K325 PolarHBondContact O-NZ 3.5Å; I321-K325 HydrophobicContact CG2-CD 3.97Å; I321-K325 WeakPolarHBondContact O-CB 3.45Å; I321-K325 WeakPolarHBondContact O-CG 3.24Å; I321-K325 PolarHBondContact O-N 3.21Å; T322-K325 PolarHBondContact O-N 3.35Å; I323-K325 PolarHBondContact O-N 3.5Å; K325-L327 VanDerWaalsContact C-N 3.33Å; K325-L327 PolarHBondContact O-N 2.82Å; K325-I328 PolarHBondContact O-N 2.71Å; K325-D329 PolarHBondContact O-N 2.87Å
326T87.7Confident88Confident87 Ų8767.2 Ų67.253%0.53433%0.334SS..Hα-helixtrans-64.9-34.8178.158.30000113T322 I323 D329 F330T322-T326 WeakPolarHBondContact O-CG2 3.5Å; T322-T326 PolarHBondContact O-N 3.03Å; T322-T326 PolarHBondContact O-OG1 3.05Å; I323-T326 PolarHBondContact O-N 3.45Å; I323-T326 PolarHBondContact O-OG1 3.37Å; T326-D329 PolarHBondContact O-N 3.21Å; T326-F330 WeakPolarHBondContact O-CB 3.42Å; T326-F330 PolarHBondContact O-N 2.91Å
327L88.9Confident88.3Confident49 Ų4971.2 Ų71.226%0.25735%0.347SS..Hα-helixtrans-67.6-43.3173.4-70.7169000112I323 M324 K325 D329 F330 V331 L352 I356I323-L327 HydrophobicContact CG2-CD1 3.89Å; I323-L327 WeakPolarHBondContact O-CG 3.44Å; I323-L327 PolarHBondContact O-N 3.27Å; M324-L327 PolarHBondContact O-N 3.3Å; K325-L327 VanDerWaalsContact C-N 3.33Å; K325-L327 PolarHBondContact O-N 2.82Å; L327-D329 VanDerWaalsContact C-N 3.34Å; L327-D329 PolarHBondContact O-N 3.22Å; L327-F330 PolarHBondContact O-N 3.41Å; L327-V331 WeakPolarHBondContact O-CG2 3.45Å; L327-V331 PolarHBondContact O-N 3.36Å; L327-L352 HydrophobicContact CB-CD1 4.41Å; L327-L352 HydrophobicContact CD1-CD1 4.32Å; L327-L352 HydrophobicContact CD1-CD2 4.34Å; L327-L352 HydrophobicContact CD2-CD1 4.43Å; L327-I356 HydrophobicContact CD1-CD1 3.82Å
328I87.8Confident88.3Confident12 Ų1271.4 Ų71.46%0.06237%0.367CS..Hα-helixtrans-58.3-46.4173.8-69.5159.7000110.4L295 F298 M324 K325 V331 K332 L349L295-I328 HydrophobicContact CD2-CD1 3.9Å; F298-I328 HydrophobicContact CD2-CD1 4.17Å; F298-I328 HydrophobicContact CE2-CD1 3.43Å; F298-I328 VanDerWaalsContact CE2-CD1 3.43Å; F298-I328 HydrophobicContact CE2-CG1 3.92Å; F298-I328 HydrophobicContact CZ-CD1 4.13Å; F298-I328 HydrophobicContact CZ-CG1 4.1Å; M324-I328 HydrophobicContact CG-CD1 4.05Å; M324-I328 WeakPolarHBondContact O-CB 3.21Å; M324-I328 WeakPolarHBondContact O-CD1 3.42Å; M324-I328 WeakPolarHBondContact O-CG1 3.27Å; M324-I328 PolarHBondContact O-N 3.17Å; K325-I328 PolarHBondContact O-N 2.71Å; I328-V331 PolarHBondContact O-N 2.92Å; I328-K332 HydrophobicContact CG2-CD 4.15Å; I328-K332 HydrophobicContact CG2-CG 4.4Å; I328-K332 WeakPolarHBondContact O-CB 3.46Å; I328-K332 WeakPolarHBondContact O-CG 3.46Å; I328-K332 PolarHBondContact O-N 2.92Å; I328-L349 HydrophobicContact CG1-CD1 4.29Å; I328-L349 HydrophobicContact CG1-CD2 3.94Å
329D90.4Very high88.1Confident88 Ų8869.6 Ų69.647%0.47137%0.365SS..Hα-helixtrans-71-33.2-179.5-74.1-15.2000112.9K325 T326 L327 K332 M333K325-D329 PolarHBondContact O-N 2.87Å; T326-D329 PolarHBondContact O-N 3.21Å; L327-D329 VanDerWaalsContact C-N 3.34Å; L327-D329 PolarHBondContact O-N 3.22Å; D329-K332 PolarHBondContact O-N 3.09Å; D329-K332 WeakPolarHBondContact OD1-CD 3.3Å; D329-K332 IonicContact OD1-NZ 3.99Å; D329-K332 PolarHBondContact OD1-NZ 3.49Å; D329-M333 VanDerWaalsContact O-CB 3.25Å; D329-M333 WeakPolarHBondContact O-CB 3.4Å; D329-M333 PolarHBondContact O-N 3.26Å
330F90Very high88.1Confident112 Ų11267 Ų6749%0.49135%0.348SS..Hα-helixtrans-61.4-46.6169.2-178.7-106.2000111.5T326 L327 M333 M334T326-F330 WeakPolarHBondContact O-CB 3.42Å; T326-F330 PolarHBondContact O-N 2.91Å; L327-F330 PolarHBondContact O-N 3.41Å; F330-M333 HydrophobicContact CD2-CE 4.05Å; F330-M333 HydrophobicContact CE2-CE 4.44Å; F330-M333 WeakPolarHBondContact O-CB 3.39Å; F330-M333 PolarHBondContact O-N 2.93Å; F330-M334 HydrophobicContact CD1-CG 4.36Å; F330-M334 HydrophobicContact CD1-SD 3.79Å; F330-M334 HydrophobicContact CE1-CE 4.41Å; F330-M334 HydrophobicContact CE1-CG 4.07Å; F330-M334 HydrophobicContact CE1-SD 3.21Å; F330-M334 WeakPolarHBondContact CE1-SD 3.2Å; F330-M334 HydrophobicContact CZ-CG 4.14Å; F330-M334 HydrophobicContact CZ-SD 3.66Å; F330-M334 WeakPolarHBondContact O-CG 3.35Å; F330-M334 PolarHBondContact O-N 3.46Å
331V89.1Confident88Confident12 Ų1269.1 Ų69.17%0.07336%0.362CS..Hα-helixtrans-64-45.4176.1168.80000111.5L327 I328 M333 M334 V335 I340 G345 L349L327-V331 WeakPolarHBondContact O-CG2 3.45Å; L327-V331 PolarHBondContact O-N 3.36Å; I328-V331 PolarHBondContact O-N 2.92Å; V331-M333 PolarHBondContact O-N 3.3Å; V331-M334 PolarHBondContact O-N 2.92Å; V331-M334 VanDerWaalsContact O-N 3.17Å; V331-V335 HydrophobicContact CG1-CG2 4.5Å; V331-V335 WeakPolarHBondContact O-CG2 3.25Å; V331-V335 PolarHBondContact O-N 3.38Å; V331-I340 HydrophobicContact CG1-CD1 4.17Å; V331-G345 WeakPolarHBondContact CG1-O 3.36Å; V331-L349 HydrophobicContact CB-CD1 4.11Å; V331-L349 HydrophobicContact CB-CD2 4.19Å; V331-L349 HydrophobicContact CB-CG 4.17Å; V331-L349 HydrophobicContact CG1-CD1 3.8Å; V331-L349 HydrophobicContact CG1-CG 4.03Å; V331-L349 HydrophobicContact CG2-CD2 3.84Å; V331-L349 HydrophobicContact CG2-CG 4.03Å
332K90Very high88.1Confident106 Ų10672 Ų7246%0.46138%0.382SS..Hα-helixtrans-56.1-40.4172.5-73.3173.4-169.2154.60111.4I328 D329 K336I328-K332 HydrophobicContact CG2-CD 4.15Å; I328-K332 HydrophobicContact CG2-CG 4.4Å; I328-K332 WeakPolarHBondContact O-CB 3.46Å; I328-K332 WeakPolarHBondContact O-CG 3.46Å; I328-K332 PolarHBondContact O-N 2.92Å; D329-K332 PolarHBondContact O-N 3.09Å; D329-K332 WeakPolarHBondContact OD1-CD 3.3Å; D329-K332 IonicContact OD1-NZ 3.99Å; D329-K332 PolarHBondContact OD1-NZ 3.49Å; K332-K336 VanDerWaalsContact O-CB 3.23Å; K332-K336 WeakPolarHBondContact O-CB 3.42Å; K332-K336 PolarHBondContact O-N 3.48Å
333M87.3Confident88Confident92 Ų9274.8 Ų74.845%0.45339%0.389SS..Hα-helixtrans-67.4-42.7177.2-174.4172.366.400112D329 F330 V331 K336 Y337D329-M333 VanDerWaalsContact O-CB 3.25Å; D329-M333 WeakPolarHBondContact O-CB 3.4Å; D329-M333 PolarHBondContact O-N 3.26Å; F330-M333 HydrophobicContact CD2-CE 4.05Å; F330-M333 HydrophobicContact CE2-CE 4.44Å; F330-M333 WeakPolarHBondContact O-CB 3.39Å; F330-M333 PolarHBondContact O-N 2.93Å; V331-M333 PolarHBondContact O-N 3.3Å; M333-K336 PolarHBondContact O-N 2.97Å; M333-Y337 HydrophobicContact CG-CD2 3.58Å; M333-Y337 HydrophobicContact CG-CE2 3.53Å; M333-Y337 VanDerWaalsContact O-CD2 3.25Å; M333-Y337 WeakPolarHBondContact O-CD2 3.34Å; M333-Y337 PolarHBondContact O-N 3.41Å; M333-Y337 HydrophobicContact SD-CE2 4.14Å
334M85.3Confident88Confident51 Ų5175.5 Ų75.525%0.25139%0.391SS..Hα-helixtrans-61.7-42.7174.6-72.4-174.789.200112.2F330 V331 G338 T339 I340F330-M334 HydrophobicContact CD1-CG 4.36Å; F330-M334 HydrophobicContact CD1-SD 3.79Å; F330-M334 HydrophobicContact CE1-CE 4.41Å; F330-M334 HydrophobicContact CE1-CG 4.07Å; F330-M334 HydrophobicContact CE1-SD 3.21Å; F330-M334 WeakPolarHBondContact CE1-SD 3.2Å; F330-M334 HydrophobicContact CZ-CG 4.14Å; F330-M334 HydrophobicContact CZ-SD 3.66Å; F330-M334 WeakPolarHBondContact O-CG 3.35Å; F330-M334 PolarHBondContact O-N 3.46Å; V331-M334 PolarHBondContact O-N 2.92Å; V331-M334 VanDerWaalsContact O-N 3.17Å; M334-G338 PolarHBondContact O-N 2.84Å; M334-T339 VanDerWaalsContact CA-OG1 3.23Å; M334-T339 WeakPolarHBondContact CA-OG1 3.49Å; M334-T339 WeakPolarHBondContact CB-OG1 3.38Å; M334-T339 WeakPolarHBondContact CG-OG1 3.5Å; M334-T339 PolarHBondContact O-N 3.4Å; M334-T339 PolarHBondContact O-OG1 3.23Å; M334-T339 VanDerWaalsContact O-OG1 3.1Å; M334-I340 HydrophobicContact CB-CD1 3.61Å; M334-I340 HydrophobicContact CB-CG1 3.76Å; M334-I340 HydrophobicContact CE-CG2 3.97Å; M334-I340 HydrophobicContact SD-CD1 4.21Å
335V90.8Very high87.9Confident46 Ų4675.6 Ų75.628%0.27939%0.392SS..Hα-helixtrans-63.9-45.2173.71740000110.7V331 Y337 G338 I340 P342V331-V335 HydrophobicContact CG1-CG2 4.5Å; V331-V335 WeakPolarHBondContact O-CG2 3.25Å; V331-V335 PolarHBondContact O-N 3.38Å; V335-Y337 VanDerWaalsContact C-N 3.32Å; V335-Y337 PolarHBondContact O-N 3.32Å; V335-G338 PolarHBondContact O-N 3.08Å; V335-G338 VanDerWaalsContact O-N 3.09Å; V335-I340 HydrophobicContact CG2-CD1 4.06Å; V335-I340 HydrophobicContact CG2-CG1 3.76Å; V335-P342 HydrophobicContact CG1-CB 4.2Å; V335-P342 HydrophobicContact CG1-CG 3.83Å
336K90.7Very high87.9Confident163 Ų16376.5 Ų76.571%0.70940%0.402SS*.Hα-helixtrans-61.3-36.3179.6-179.6178.7178-178.90113.3K332 M333K332-K336 VanDerWaalsContact O-CB 3.23Å; K332-K336 WeakPolarHBondContact O-CB 3.42Å; K332-K336 PolarHBondContact O-N 3.48Å; M333-K336 PolarHBondContact O-N 2.97Å
337Y90.1Very high87.8Confident164 Ų16475.6 Ų75.664%0.64340%0.4SS*.THydrogen-bonded Turntrans-94.26.7176.5-65.5-61.1000113.7M333 V335 T339M333-Y337 HydrophobicContact CG-CD2 3.58Å; M333-Y337 HydrophobicContact CG-CE2 3.53Å; M333-Y337 VanDerWaalsContact O-CD2 3.25Å; M333-Y337 WeakPolarHBondContact O-CD2 3.34Å; M333-Y337 PolarHBondContact O-N 3.41Å; M333-Y337 HydrophobicContact SD-CE2 4.14Å; V335-Y337 VanDerWaalsContact C-N 3.32Å; V335-Y337 PolarHBondContact O-N 3.32Å; Y337-T339 VanDerWaalsContact C-N 3.29Å; Y337-T339 PolarHBondContact O-N 3.34Å
338G84.2Confident87.8Confident63 Ų6379.3 Ų79.365%0.64941%0.411SS*.THydrogen-bonded Turntrans67.523.1173.800000114.9M334 V335 I340M334-G338 PolarHBondContact O-N 2.84Å; V335-G338 PolarHBondContact O-N 3.08Å; V335-G338 VanDerWaalsContact O-N 3.09Å; G338-I340 VanDerWaalsContact C-N 3.33Å
339T82.1Confident88Confident92 Ų9279.5 Ų79.556%0.56441%0.412SS*.SBendtrans-79.1-20.6174.758.90000112.6M334 Y337M334-T339 VanDerWaalsContact CA-OG1 3.23Å; M334-T339 WeakPolarHBondContact CA-OG1 3.49Å; M334-T339 WeakPolarHBondContact CB-OG1 3.38Å; M334-T339 WeakPolarHBondContact CG-OG1 3.5Å; M334-T339 PolarHBondContact O-N 3.4Å; M334-T339 PolarHBondContact O-OG1 3.23Å; M334-T339 VanDerWaalsContact O-OG1 3.1Å; Y337-T339 VanDerWaalsContact C-N 3.29Å; Y337-T339 PolarHBondContact O-N 3.34Å
340I85.5Confident87.9Confident18 Ų1880.9 Ų80.99%0.09242%0.416CS..SBendtrans-139.9157.8169.264.3-171.6000108.9V331 M334 V335 G338 E344 Y348V331-I340 HydrophobicContact CG1-CD1 4.17Å; M334-I340 HydrophobicContact CB-CD1 3.61Å; M334-I340 HydrophobicContact CB-CG1 3.76Å; M334-I340 HydrophobicContact CE-CG2 3.97Å; M334-I340 HydrophobicContact SD-CD1 4.21Å; V335-I340 HydrophobicContact CG2-CD1 4.06Å; V335-I340 HydrophobicContact CG2-CG1 3.76Å; G338-I340 VanDerWaalsContact C-N 3.33Å; I340-E344 HydrophobicContact CB-CB 4.32Å; I340-Y348 HydrophobicContact CD1-CD2 4.19Å; I340-Y348 HydrophobicContact CG2-CE2 4.08Å
341T87.4Confident88Confident61 Ų6180.3 Ų80.337%0.37442%0.418SS..  trans-74.4156.3169.658.90000111.5E343 E344 G345T341-E343 PolarHBondContact O-N 2.97Å; T341-E344 WeakPolarHBondContact CB-OE2 3.38Å; T341-E344 PolarHBondContact N-OE2 3.47Å; T341-E344 PolarHBondContact O-N 3.03Å; T341-E344 WeakPolarHBondContact OG1-CB 3.36Å; T341-E344 WeakPolarHBondContact OG1-CG 3.14Å; T341-E344 PolarHBondContact OG1-N 2.84Å; T341-E344 PolarHBondContact OG1-OE2 2.93Å; T341-G345 PolarHBondContact O-N 2.72Å
342P89.1Confident88Confident74 Ų7481.5 Ų81.548%0.48142%0.424SS..Hα-helixtrans-53.6-40.5173.4-24.532.5000113.1V335 G345 V346V335-P342 HydrophobicContact CG1-CB 4.2Å; V335-P342 HydrophobicContact CG1-CG 3.83Å; P342-G345 PolarHBondContact O-N 2.95Å; P342-V346 WeakPolarHBondContact O-CG2 3.32Å; P342-V346 PolarHBondContact O-N 3.39Å
343E87.8Confident88Confident139 Ų13976.8 Ų76.865%0.6540%0.404SS*.Hα-helixtrans-67.6-43.3-178.5-6277.5-17300111.8T341 G345 V346 S347T341-E343 PolarHBondContact O-N 2.97Å; E343-G345 VanDerWaalsContact C-N 3.33Å; E343-V346 PolarHBondContact O-N 2.89Å; E343-S347 PolarHBondContact O-N 3.01Å; E343-S347 VanDerWaalsContact O-N 3.1Å
344E87.3Confident88Confident92 Ų9274 Ų7443%0.4340%0.395SS..Hα-helixtrans-61.4-42.8170.3-73.3161.7154.500110.8I340 T341 V346 S347 Y348I340-E344 HydrophobicContact CB-CB 4.32Å; T341-E344 WeakPolarHBondContact CB-OE2 3.38Å; T341-E344 PolarHBondContact N-OE2 3.47Å; T341-E344 PolarHBondContact O-N 3.03Å; T341-E344 WeakPolarHBondContact OG1-CB 3.36Å; T341-E344 WeakPolarHBondContact OG1-CG 3.14Å; T341-E344 PolarHBondContact OG1-N 2.84Å; T341-E344 PolarHBondContact OG1-OE2 2.93Å; E344-V346 PolarHBondContact O-N 3.38Å; E344-S347 PolarHBondContact O-N 2.86Å; E344-Y348 HydrophobicContact CB-CD2 4.36Å; E344-Y348 HydrophobicContact CB-CE2 4.05Å; E344-Y348 WeakPolarHBondContact O-CD2 3.25Å; E344-Y348 PolarHBondContact O-N 3.35Å
345G86.3Confident88.2Confident2 Ų274.9 Ų74.92%0.02140%0.399CS..Hα-helixtrans-56.8-45.6176.800000113.5V331 T341 P342 E343 Y348 L349V331-G345 WeakPolarHBondContact CG1-O 3.36Å; T341-G345 PolarHBondContact O-N 2.72Å; P342-G345 PolarHBondContact O-N 2.95Å; E343-G345 VanDerWaalsContact C-N 3.33Å; G345-Y348 PolarHBondContact O-N 3.2Å; G345-L349 WeakPolarHBondContact O-CG 3.34Å; G345-L349 PolarHBondContact O-N 2.88Å
346V87.4Confident88Confident84 Ų8473.8 Ų73.851%0.50939%0.391SS..Hα-helixtrans-61.9-47.5174.3173.90000110.6P342 E343 E344 Y348 L349 E350P342-V346 WeakPolarHBondContact O-CG2 3.32Å; P342-V346 PolarHBondContact O-N 3.39Å; E343-V346 PolarHBondContact O-N 2.89Å; E344-V346 PolarHBondContact O-N 3.38Å; V346-Y348 VanDerWaalsContact C-N 3.33Å; V346-Y348 PolarHBondContact O-N 2.98Å; V346-L349 PolarHBondContact O-N 3.06Å; V346-E350 HydrophobicContact CG1-CG 4.35Å; V346-E350 WeakPolarHBondContact O-CG 3.12Å; V346-E350 PolarHBondContact O-N 3.45Å
347S87.4Confident87.8Confident68 Ų6866.5 Ų66.548%0.47636%0.362SS..Hα-helixtrans-62.6-35.4179.7-169.20000113.5E343 E344 E350 N351E343-S347 PolarHBondContact O-N 3.01Å; E343-S347 VanDerWaalsContact O-N 3.1Å; E344-S347 PolarHBondContact O-N 2.86Å; S347-E350 PolarHBondContact O-N 3.25Å; S347-N351 PolarHBondContact O-N 2.93Å; S347-N351 VanDerWaalsContact O-N 3.12Å
348Y88.5Confident87.5Confident126 Ų12664.5 Ų64.549%0.49436%0.36SS..Hα-helixtrans-62.3-42.2171.9-76.4-60.2000111.8I340 E344 G345 V346 N351 L352I340-Y348 HydrophobicContact CD1-CD2 4.19Å; I340-Y348 HydrophobicContact CG2-CE2 4.08Å; E344-Y348 HydrophobicContact CB-CD2 4.36Å; E344-Y348 HydrophobicContact CB-CE2 4.05Å; E344-Y348 WeakPolarHBondContact O-CD2 3.25Å; E344-Y348 PolarHBondContact O-N 3.35Å; G345-Y348 PolarHBondContact O-N 3.2Å; V346-Y348 VanDerWaalsContact C-N 3.33Å; V346-Y348 PolarHBondContact O-N 2.98Å; Y348-N351 PolarHBondContact O-N 3.29Å; Y348-L352 VanDerWaalsContact O-CG 3.29Å; Y348-L352 WeakPolarHBondContact O-CG 3.2Å; Y348-L352 PolarHBondContact O-N 2.99Å
349L91Very high87.6Confident17 Ų1766.4 Ų66.49%0.08935%0.352CS..Hα-helixtrans-71.7-35.4179.2-66170.5000112.7F298 I328 V331 G345 V346 L352 D353F298-L349 HydrophobicContact CE1-CB 3.63Å; F298-L349 HydrophobicContact CZ-CB 4Å; F298-L349 HydrophobicContact CZ-CD1 4.19Å; I328-L349 HydrophobicContact CG1-CD1 4.29Å; I328-L349 HydrophobicContact CG1-CD2 3.94Å; V331-L349 HydrophobicContact CB-CD1 4.11Å; V331-L349 HydrophobicContact CB-CD2 4.19Å; V331-L349 HydrophobicContact CB-CG 4.17Å; V331-L349 HydrophobicContact CG1-CD1 3.8Å; V331-L349 HydrophobicContact CG1-CG 4.03Å; V331-L349 HydrophobicContact CG2-CD2 3.84Å; V331-L349 HydrophobicContact CG2-CG 4.03Å; G345-L349 WeakPolarHBondContact O-CG 3.34Å; G345-L349 PolarHBondContact O-N 2.88Å; V346-L349 PolarHBondContact O-N 3.06Å; L349-L352 HydrophobicContact CD2-CD1 4.21Å; L349-L352 PolarHBondContact O-N 2.93Å; L349-D353 WeakPolarHBondContact O-CB 3.09Å; L349-D353 PolarHBondContact O-N 3.14Å
350E89.6Confident87.7Confident116 Ų11663 Ų6354%0.54233%0.331SS..Hα-helixtrans-60.9-41.5171.6-71.2174.9167.800112.2V346 S347 A354V346-E350 HydrophobicContact CG1-CG 4.35Å; V346-E350 WeakPolarHBondContact O-CG 3.12Å; V346-E350 PolarHBondContact O-N 3.45Å; S347-E350 PolarHBondContact O-N 3.25Å; E350-A354 PolarHBondContact O-N 3.28Å
351N90.6Very high87.4Confident100 Ų10069 Ų6954%0.53536%0.356SS..Hα-helixtrans-69.3-38.2175.7-171.215.7000111.7S347 Y348 A354 M355S347-N351 PolarHBondContact O-N 2.93Å; S347-N351 VanDerWaalsContact O-N 3.12Å; Y348-N351 PolarHBondContact O-N 3.29Å; N351-A354 PolarHBondContact O-N 3.1Å; N351-M355 WeakPolarHBondContact O-CB 3.38Å; N351-M355 PolarHBondContact O-N 3.15Å
352L89.1Confident87Confident38 Ų3870.8 Ų70.820%0.19936%0.364CS..Hα-helixtrans-64.6-40.9174.9-74.1165.7000112.2L327 Y348 L349 M355 I356L327-L352 HydrophobicContact CB-CD1 4.41Å; L327-L352 HydrophobicContact CD1-CD1 4.32Å; L327-L352 HydrophobicContact CD1-CD2 4.34Å; L327-L352 HydrophobicContact CD2-CD1 4.43Å; Y348-L352 VanDerWaalsContact O-CG 3.29Å; Y348-L352 WeakPolarHBondContact O-CG 3.2Å; Y348-L352 PolarHBondContact O-N 2.99Å; L349-L352 HydrophobicContact CD2-CD1 4.21Å; L349-L352 PolarHBondContact O-N 2.93Å; L352-M355 HydrophobicContact CD2-CE 4.39Å; L352-M355 PolarHBondContact O-N 3.1Å; L352-I356 HydrophobicContact CB-CD1 4.38Å; L352-I356 WeakPolarHBondContact O-CB 3.24Å; L352-I356 VanDerWaalsContact O-CG1 3.25Å; L352-I356 WeakPolarHBondContact O-CG1 3.32Å; L352-I356 PolarHBondContact O-N 2.89Å
353D89.8Confident86.5Confident7 Ų774.6 Ų74.64%0.03737%0.373CS..Hα-helixtrans-52.7-55.1172.4168.862.9000111.5F298 N300 F301 M324 L349 M355 A357F298-D353 VanDerWaalsContact C-OD1 3.23Å; F298-D353 HydrophobicContact CB-CB 4.15Å; F298-D353 WeakPolarHBondContact CB-OD1 3.2Å; F298-D353 HydrophobicContact CD1-CB 3.95Å; F298-D353 HydrophobicContact CG-CB 4.45Å; N300-D353 WeakPolarHBondContact CB-OD2 3.31Å; N300-D353 PolarHBondContact N-OD1 2.94Å; N300-D353 VanDerWaalsContact N-OD1 3.08Å; N300-D353 PolarHBondContact N-OD2 3.21Å; N300-D353 PolarHBondContact ND2-OD2 3.4Å; F301-D353 WeakPolarHBondContact CB-OD1 3.36Å; F301-D353 PolarHBondContact N-OD1 2.93Å; M324-D353 HydrophobicContact CE-CB 4.49Å; L349-D353 WeakPolarHBondContact O-CB 3.09Å; L349-D353 PolarHBondContact O-N 3.14Å; D353-M355 PolarHBondContact O-N 2.93Å; D353-A357 WeakPolarHBondContact O-CB 3.37Å; D353-A357 PolarHBondContact O-N 2.79Å
354A88.4Confident85.5Confident32 Ų3270.3 Ų70.326%0.26435%0.354SS..Hα-helixtrans-63.6-40.9178.300000112.8E350 N351 M358E350-A354 PolarHBondContact O-N 3.28Å; N351-A354 PolarHBondContact O-N 3.1Å; A354-M358 WeakPolarHBondContact O-CB 3.44Å; A354-M358 WeakPolarHBondContact O-CG 3.35Å; A354-M358 PolarHBondContact O-N 3.38Å
355M88.6Confident83.9Confident71 Ų7168.6 Ų68.635%0.3536%0.361SS..Hα-helixtrans-67.8-49.1-177.6-170.2-169.9-40.500112.2N351 L352 D353 M358 Q359N351-M355 WeakPolarHBondContact O-CB 3.38Å; N351-M355 PolarHBondContact O-N 3.15Å; L352-M355 HydrophobicContact CD2-CE 4.39Å; L352-M355 PolarHBondContact O-N 3.1Å; D353-M355 PolarHBondContact O-N 2.93Å; M355-M358 PolarHBondContact O-N 2.86Å; M355-Q359 HydrophobicContact CG-CG 4.48Å; M355-Q359 WeakPolarHBondContact O-CB 3.45Å; M355-Q359 VanDerWaalsContact O-CG 3.31Å; M355-Q359 WeakPolarHBondContact O-CG 3.39Å; M355-Q359 PolarHBondContact O-N 3.5Å
356I87.1Confident82.1Confident22 Ų2276.3 Ų76.311%0.11339%0.394CS..Hα-helixtrans-65.9-45.9179.6-64.5167.3000109.1F301 L320 M324 L327 L352 M358 Q359 T360F301-I356 HydrophobicContact CD2-CB 4.36Å; F301-I356 HydrophobicContact CD2-CG2 3.72Å; F301-I356 HydrophobicContact CE2-CG2 3.7Å; L320-I356 HydrophobicContact CD2-CG2 4Å; M324-I356 HydrophobicContact SD-CD1 3.93Å; L327-I356 HydrophobicContact CD1-CD1 3.82Å; L352-I356 HydrophobicContact CB-CD1 4.38Å; L352-I356 WeakPolarHBondContact O-CB 3.24Å; L352-I356 VanDerWaalsContact O-CG1 3.25Å; L352-I356 WeakPolarHBondContact O-CG1 3.32Å; L352-I356 PolarHBondContact O-N 2.89Å; I356-M358 PolarHBondContact O-N 3.28Å; I356-Q359 PolarHBondContact O-N 3.38Å; I356-T360 VanDerWaalsContact O-CB 3.27Å; I356-T360 WeakPolarHBondContact O-CB 3.39Å; I356-T360 PolarHBondContact O-N 3.43Å; I356-T360 PolarHBondContact O-OG1 3.25Å
357A86.9Confident79.8Confident11 Ų1177.4 Ų77.49%0.09141%0.406CS..Hα-helixtrans-55.6-48.6175.900000112.5N300 D353 K361N300-A357 HydrophobicContact CB-CB 3.51Å; D353-A357 WeakPolarHBondContact O-CB 3.37Å; D353-A357 PolarHBondContact O-N 2.79Å; A357-K361 WeakPolarHBondContact O-CB 3.41Å; A357-K361 PolarHBondContact O-N 3.5Å
358M84Confident77.6Confident122 Ų12281.5 Ų81.560%0.60142%0.422SS*.Hα-helixtrans-69.3-44.4179.2-75.1-160.8-63.900113.3A354 M355 I356 N362A354-M358 WeakPolarHBondContact O-CB 3.44Å; A354-M358 WeakPolarHBondContact O-CG 3.35Å; A354-M358 PolarHBondContact O-N 3.38Å; M355-M358 PolarHBondContact O-N 2.86Å; I356-M358 PolarHBondContact O-N 3.28Å; M358-N362 VanDerWaalsContact O-CB 3.24Å; M358-N362 WeakPolarHBondContact O-CB 3.37Å; M358-N362 PolarHBondContact O-N 3.43Å; M358-N362 PolarHBondContact O-ND2 2.96Å
359Q85.3Confident74.8Confident103 Ų10381.3 Ų81.348%0.48143%0.433SS..Hα-helixtrans-66.3-45.5-177.8-73.6-17225.800111.5M355 I356 N362 K363M355-Q359 HydrophobicContact CG-CG 4.48Å; M355-Q359 WeakPolarHBondContact O-CB 3.45Å; M355-Q359 VanDerWaalsContact O-CG 3.31Å; M355-Q359 WeakPolarHBondContact O-CG 3.39Å; M355-Q359 PolarHBondContact O-N 3.5Å; I356-Q359 PolarHBondContact O-N 3.38Å; Q359-N362 PolarHBondContact O-N 2.87Å; Q359-K363 WeakPolarHBondContact O-CD 3.46Å; Q359-K363 VanDerWaalsContact O-CG 3.31Å; Q359-K363 WeakPolarHBondContact O-CG 3.26Å; Q359-K363 PolarHBondContact O-N 2.82Å; Q359-K363 VanDerWaalsContact O-N 3.13Å
360T84.1Confident72.3Confident21 Ų2186.5 Ų86.513%0.12947%0.465CS..Hα-helixtrans-68.6-45.7-178.9-51.50000110.6L304 L320 I356 N362 K363 L364L304-T360 HydrophobicContact CD1-CG2 4.14Å; L304-T360 HydrophobicContact CD2-CG2 3.87Å; L320-T360 HydrophobicContact CD1-CG2 3.82Å; L320-T360 HydrophobicContact CD2-CG2 4Å; I356-T360 VanDerWaalsContact O-CB 3.27Å; I356-T360 WeakPolarHBondContact O-CB 3.39Å; I356-T360 PolarHBondContact O-N 3.43Å; I356-T360 PolarHBondContact O-OG1 3.25Å; T360-N362 VanDerWaalsContact C-N 3.27Å; T360-N362 PolarHBondContact O-N 3.12Å; T360-K363 PolarHBondContact O-N 3.47Å; T360-L364 HydrophobicContact CG2-CD1 3.37Å; T360-L364 HydrophobicContact CG2-CG 3.9Å; T360-L364 PolarHBondContact O-N 3.32Å
361K80.5Confident69.8Low142 Ų14286.3 Ų86.362%0.61747%0.474SS*.Hα-helixtrans-56.3-38.9173-177.7173.4179.5172.50112.9L304 A357 K363 G365L304-K361 HydrophobicContact CD1-CB 4.37Å; A357-K361 WeakPolarHBondContact O-CB 3.41Å; A357-K361 PolarHBondContact O-N 3.5Å; K361-K363 VanDerWaalsContact C-N 3.31Å; K361-K363 PolarHBondContact O-N 3.1Å; K361-G365 VanDerWaalsContact O-CA 3.31Å; K361-G365 WeakPolarHBondContact O-CA 3.48Å; K361-G365 PolarHBondContact O-N 3.29Å
362N78.5Confident66.8Low99 Ų9988.7 Ų88.753%0.52949%0.487SS..Hα-helixtrans-74.7-16.6178.5-76.5-32.6000114.5M358 Q359 T360 K366M358-N362 VanDerWaalsContact O-CB 3.24Å; M358-N362 WeakPolarHBondContact O-CB 3.37Å; M358-N362 PolarHBondContact O-N 3.43Å; M358-N362 PolarHBondContact O-ND2 2.96Å; Q359-N362 PolarHBondContact O-N 2.87Å; T360-N362 VanDerWaalsContact C-N 3.27Å; T360-N362 PolarHBondContact O-N 3.12Å; N362-K366 WeakPolarHBondContact O-CD 3.47Å; N362-K366 VanDerWaalsContact O-CE 3.27Å; N362-K366 WeakPolarHBondContact O-CE 3.38Å
363K78.3Confident64.3Low154 Ų15494.7 Ų94.767%0.6752%0.517SS*.Hα-helixtrans-94.8-47.8177.9-75.8164.1173-82.60111.7Q359 T360 K361Q359-K363 WeakPolarHBondContact O-CD 3.46Å; Q359-K363 VanDerWaalsContact O-CG 3.31Å; Q359-K363 WeakPolarHBondContact O-CG 3.26Å; Q359-K363 PolarHBondContact O-N 2.82Å; Q359-K363 VanDerWaalsContact O-N 3.13Å; T360-K363 PolarHBondContact O-N 3.47Å; K361-K363 VanDerWaalsContact C-N 3.31Å; K361-K363 PolarHBondContact O-N 3.1Å
364L66.7Low61.3Low49 Ų49100 Ų10026%0.25756%0.555SS.*Hα-helixtrans-85.1-42.2-176.4-56.1-178.4000112.6L308 E316 T360 K366 S367L308-L364 HydrophobicContact CD1-CD1 3.94Å; L308-L364 HydrophobicContact CD2-CD1 3.67Å; L308-L364 HydrophobicContact CG-CD1 4.48Å; E316-L364 WeakPolarHBondContact OE2-CD1 3.26Å; E316-L364 WeakPolarHBondContact OE2-CD2 3.46Å; T360-L364 HydrophobicContact CG2-CD1 3.37Å; T360-L364 HydrophobicContact CG2-CG 3.9Å; T360-L364 PolarHBondContact O-N 3.32Å; L364-K366 PolarHBondContact O-N 3.03Å; L364-S367 PolarHBondContact O-N 3.31Å; L364-S367 VanDerWaalsContact O-N 3.13Å
365G53.7Low58.3Low57 Ų57101.3 Ų101.359%0.58857%0.572SS**THydrogen-bonded Turntrans-67.313.1-177.700000116.1K361K361-G365 VanDerWaalsContact O-CA 3.31Å; K361-G365 WeakPolarHBondContact O-CA 3.48Å; K361-G365 PolarHBondContact O-N 3.29Å
366K49.7Very low55.5Low164 Ų164105.9 Ų105.971%0.71360%0.596SS**THydrogen-bonded Turntrans-104.9-5.1173.3-69-178-179.4172.30113.4N362 L364N362-K366 WeakPolarHBondContact O-CD 3.47Å; N362-K366 VanDerWaalsContact O-CE 3.27Å; N362-K366 WeakPolarHBondContact O-CE 3.38Å; L364-K366 PolarHBondContact O-N 3.03Å
367S38.5Very low52.6Low106 Ų106111.1 Ų111.174%0.74163%0.63SS**SBendtrans-86.4-2.5179.9-160.70000114.6L364L364-S367 PolarHBondContact O-N 3.31Å; L364-S367 VanDerWaalsContact O-N 3.13Å
368L40Very low49.7Very low155 Ų155113.5 Ų113.581%0.81266%0.655SS**SBendtrans-112.28.4-164-115.5159.5000115.8
369V31.1Very low47.3Very low121 Ų121117.8 Ų117.873%0.73367%0.671SS**  trans-136.6104.6167.5-1770000109.9P371V369-P371 WeakPolarHBondContact O-CD 3.38Å
370V37.2Very low44.8Very low126 Ų126118.2 Ų118.276%0.76468%0.676SS**  trans-77.6117.1160.5176.60000107.5D372V370-D372 PolarHBondContact O-N 3.14Å
371P37.8Very low42.7Very low112 Ų112127 Ų12773%0.72771%0.713SS**  trans-93.491.1168.920.5-2.3000108.1V369V369-P371 WeakPolarHBondContact O-CD 3.38Å
372D27.6Very low40.5Very low150 Ų150125.2 Ų125.280%0.80271%0.71SS**  trans-74149.8171.4-149.2-9000110.7V370 S374V370-D372 PolarHBondContact O-N 3.14Å; D372-S374 PolarHBondContact O-N 3.38Å
373I36.1Very low38.4Very low164 Ų164128.6 Ų128.684%0.84172%0.722SS**  trans-97.1101.3-160.4-60.6171.2000112
374S27.9Very low36.5Very low120 Ų120128.7 Ų128.784%0.83973%0.731SS**  trans-173.2139.2150.9-1640000109.6D372D372-S374 PolarHBondContact O-N 3.38Å
375G25Very low35.1Very low59 Ų59132.2 Ų132.261%0.60875%0.749SS**  cis159.2132.7-1.300000111.1
376L30.5Very low34.8Very low166 Ų166135.1 Ų135.187%0.86975%0.751SS**  trans78113.9159.7-83.590000122.3
377T26.4Very low34.8Very low133 Ų133133.6 Ų133.682%0.81676%0.756SS**  trans86.6126134.5-37.90000119
378G26.1Very low35.2Very low60 Ų60137.3 Ų137.362%0.61976%0.759SS**  cis149.2147.9-9.300000114.3
379K32.8Very low35.6Very low213 Ų213133.3 Ų133.393%0.92674%0.744SS**  trans-163.4142.7147.6-118.4168.1-177.1170.50110.9
380N31.8Very low36.5Very low111 Ų111134.9 Ų134.959%0.59474%0.743SS**  trans-111163.9-155.4-49.1-7.1000113.7D382N380-D382 WeakPolarHBondContact CB-OD2 3.39Å; N380-D382 PolarHBondContact ND2-OD2 2.99Å; N380-D382 VanDerWaalsContact ND2-OD2 3.12Å
381F39.8Very low36.9Very low206 Ų206133.9 Ų133.990%0.90474%0.738SS**  -165.298123.7-93.7-71000105.2
382D34.8Very low37.4Very low104 Ų104131.8 Ų131.856%0.55673%0.73SS**  55.8126.270.8-64.8-30.5000111.3N380N380-D382 WeakPolarHBondContact CB-OD2 3.39Å; N380-D382 PolarHBondContact ND2-OD2 2.99Å; N380-D382 VanDerWaalsContact ND2-OD2 3.12Å
383E35.8Very low38.5Very low170 Ų170131.6 Ų131.679%0.79472%0.722SS**  cis-146.1161.55.3-87.7144.1171.200106.8
384D37.9Very low39.2Very low157 Ų157129.8 Ų129.884%0.8471%0.711SS**  -168.5156.552.8-129.5-25.2000112.2
385D37.8Very low40.3Very low122 Ų122130.8 Ų130.865%0.65270%0.703SS**  trans-74.3135.9-179171.929000113.6T387D385-T387 WeakPolarHBondContact OD1-CB 3.19Å; D385-T387 PolarHBondContact OD1-N 3Å; D385-T387 PolarHBondContact OD1-OG1 3.3Å
386N45.3Very low41.6Very low118 Ų118135.8 Ų135.863%0.63171%0.707SS**  trans-140.740.3165.2-157.2-1.3000114K388 S389N386-K388 PolarHBondContact O-N 3.48Å; N386-S389 WeakPolarHBondContact OD1-CB 3.37Å
387T51.3Low42.6Very low132 Ų132134.6 Ų134.681%0.8170%0.697SS**THydrogen-bonded Turntrans-74.836.2177.9-33.60000112.6D385D385-T387 WeakPolarHBondContact OD1-CB 3.19Å; D385-T387 PolarHBondContact OD1-N 3Å; D385-T387 PolarHBondContact OD1-OG1 3.3Å
388K46.6Very low43.5Very low185 Ų185137.9 Ų137.980%0.80470%0.696SS**THydrogen-bonded Turntrans-144.1-3.9-173.3-141.6170-170.8169.20115.2N386N386-K388 PolarHBondContact O-N 3.48Å
389S49.1Very low44.6Very low70 Ų70142.7 Ų142.749%0.4970%0.703SS.*SBendtrans-90.7-27.3-173.4-175.10000114.7N386N386-S389 WeakPolarHBondContact OD1-CB 3.37Å
390E49Very low45.4Very low155 Ų155139.4 Ų139.472%0.72470%0.696SS**SBendtrans-88.1-36.2-166.3-161.3159.8-177.800114.4A392 K393 M394E390-A392 VanDerWaalsContact C-N 3.26Å; E390-A392 PolarHBondContact O-N 3.18Å; E390-K393 PolarHBondContact O-N 3.14Å; E390-M394 PolarHBondContact O-N 3.14Å
391T45.3Very low46.1Very low105 Ų105141.6 Ų141.664%0.64471%0.706SS**Hα-helixtrans-61.7-33.9177.1-34.20000112.5K393 Q395T391-K393 VanDerWaalsContact C-N 3.29Å; T391-K393 PolarHBondContact O-N 3.25Å; T391-Q395 PolarHBondContact O-N 3.31Å
392A48.5Very low46.5Very low68 Ų68141.4 Ų141.456%0.56271%0.705SS**Hα-helixtrans-73.3-19.2177.900000113.5E390E390-A392 VanDerWaalsContact C-N 3.26Å; E390-A392 PolarHBondContact O-N 3.18Å
393K49.8Very low46.5Very low146 Ų146143.4 Ų143.464%0.63572%0.716SS**Hα-helixtrans-82.7-44.6178.6-140.3179.9-177.9-171.40111.1E390 T391 Q395 K396 E397E390-K393 PolarHBondContact O-N 3.14Å; T391-K393 VanDerWaalsContact C-N 3.29Å; T391-K393 PolarHBondContact O-N 3.25Å; K393-Q395 VanDerWaalsContact C-N 3.3Å; K393-Q395 PolarHBondContact O-N 3.44Å; K393-K396 PolarHBondContact O-N 3.49Å; K393-E397 PolarHBondContact O-N 3.07Å
394M51.3Low46.5Very low125 Ų125140.4 Ų140.462%0.61671%0.714SS**Hα-helixtrans-59.4-37.8175-72.9-158.9-75.300112.8E390 K396 Y398E390-M394 PolarHBondContact O-N 3.14Å; M394-K396 VanDerWaalsContact C-N 3.33Å; M394-K396 PolarHBondContact O-N 3.32Å; M394-Y398 WeakPolarHBondContact O-CD2 3.45Å
395Q50.4Low46.3Very low142 Ų142138.9 Ų138.966%0.66471%0.71SS**Hα-helixtrans-72.7-25.7-179.3-159.2162.1300113.4T391 K393 Y398 E399T391-Q395 PolarHBondContact O-N 3.31Å; K393-Q395 VanDerWaalsContact C-N 3.3Å; K393-Q395 PolarHBondContact O-N 3.44Å; Q395-Y398 PolarHBondContact O-N 3.11Å; Q395-E399 PolarHBondContact O-N 3.29Å
396K52.6Low46.2Very low163 Ų163139.8 Ų139.871%0.70971%0.708SS**Hα-helixtrans-78.1-21.7-179.9-164170.3-174.7174.80113.7K393 M394K393-K396 PolarHBondContact O-N 3.49Å; M394-K396 VanDerWaalsContact C-N 3.33Å; M394-K396 PolarHBondContact O-N 3.32Å
397E51.8Low45.5Very low141 Ų141141.4 Ų141.466%0.65971%0.712SS**Hα-helixtrans-82.9-23.5174.1-67.7-179.3-173.100112K393K393-E397 PolarHBondContact O-N 3.07Å
398Y45.2Very low44.6Very low202 Ų202143.1 Ų143.179%0.79271%0.711SS**Hα-helixtrans-83.6-21.2177.2-89.8-92.7000115.4M394 Q395 N400M394-Y398 WeakPolarHBondContact O-CD2 3.45Å; Q395-Y398 PolarHBondContact O-N 3.11Å; Y398-N400 VanDerWaalsContact C-N 3.32Å
399E50.4Low44Very low162 Ų162141.8 Ų141.876%0.75771%0.708SS**G310 helixtrans-73.4-22.9173.8-80.3-168136.200113.2Q395 L401Q395-E399 PolarHBondContact O-N 3.29Å; E399-L401 VanDerWaalsContact C-N 3.34Å; E399-L401 PolarHBondContact O-N 3.28Å
400N49Very low43.6Very low144 Ų144144.6 Ų144.677%0.7772%0.724SS**G310 helixtrans-885.9-166.7-140.612.4000115Y398Y398-N400 VanDerWaalsContact C-N 3.32Å
401L47.1Very low43.1Very low156 Ų156140.8 Ų140.882%0.81771%0.714SS**G310 helixtrans-117.49177.9-93.781.9000114.4E399 D403E399-L401 VanDerWaalsContact C-N 3.34Å; E399-L401 PolarHBondContact O-N 3.28Å; L401-D403 PolarHBondContact O-N 2.97Å
402K48.4Very low42.4Very low203 Ų203142.7 Ų142.788%0.88373%0.726SS**  trans-90.966.3173.3-95-166.3175.4-178.70113.4
403D33.9Very low41.7Very low146 Ų146147.8 Ų147.878%0.78174%0.738SS**  trans-16297.4145-157.34.5000114.2L401L401-D403 PolarHBondContact O-N 2.97Å
404S36.2Very low40.7Very low107 Ų107146.5 Ų146.575%0.74874%0.743SS**  trans176.3102.4140.1-85.10000113.8
405T33.3Very low40.1Very low125 Ų125147.5 Ų147.577%0.76775%0.751SS**  trans55.890.9133.2-40.70000120.8
406K36.1Very low39.5Very low141 Ų141148.2 Ų148.261%0.61375%0.754SS**  33.3116.5116.7-162.7-146.9178-130.50119.7E408K406-E408 IonicContact NZ-OE1 2.79Å; K406-E408 PolarHBondContact NZ-OE1 2.86Å
407E30.5Very low39.5Very low152 Ų152146 Ų14671%0.7176%0.756SS**  179.5112.2115.2-95.3176177.600108.9
408E31.4Very low39.6Very low167 Ų167142 Ų14278%0.7875%0.748SS**  91.3150.686-119.1171.3-113.200113.1K406K406-E408 IonicContact NZ-OE1 2.79Å; K406-E408 PolarHBondContact NZ-OE1 2.86Å
409Q35.1Very low40Very low158 Ų158139.9 Ų139.974%0.73874%0.742SS**  trans-101169.9-151.2-135.5-178.1500112.2
410P39.8Very low40.1Very low128 Ų128135.8 Ų135.883%0.83173%0.732SS**  -139.715578.636.8-20.8000115.7
411S39.3Very low40.8Very low75 Ų75135.3 Ų135.352%0.52473%0.725SS.*  trans-82.9145.7174.939.70000112.9
412T29.5Very low41.7Very low145 Ų145132.1 Ų132.189%0.8971%0.712SS**  trans-123.4121.9139.746.10000108.3
413E34.7Very low42Very low176 Ų176130.1 Ų130.182%0.82270%0.7SS**  trans-69.4141.4177.6-62162.8118.300110.1
414T28.4Very low43.8Very low119 Ų119127.6 Ų127.673%0.7369%0.686SS**  -179.7113.2108.935.60000112
415N39.4Very low45.7Very low145 Ų145127.2 Ų127.278%0.77567%0.673SS**  trans62.6133.1143.5-60.1-55.9000122.4
416Q36.6Very low47.5Very low157 Ų157123.9 Ų123.973%0.73466%0.657SS**  trans8082.7163.7-55.9-63-15.900119.6
417P52.7Low49.2Very low116 Ų116121.5 Ų121.575%0.75365%0.65SS**  trans-90.397.6162.634.6-27.1000110.9
418A55.2Low51.7Low59 Ų59122.3 Ų122.349%0.48865%0.647SS.*SBendtrans-165-26174.400000116.9T422A418-T422 PolarHBondContact O-OG1 3.34Å
419K52.9Low54.2Low156 Ų156120 Ų12068%0.67863%0.634SS**SBendtrans-117.9-53.9-168.7-63.1-176.7-177.8-178.90113E421 T422 Y423K419-E421 VanDerWaalsContact C-N 3.31Å; K419-E421 PolarHBondContact O-N 3.2Å; K419-T422 PolarHBondContact O-N 3.31Å; K419-Y423 HydrophobicContact CB-CD2 4.42Å; K419-Y423 HydrophobicContact CB-CE2 4.17Å; K419-Y423 WeakPolarHBondContact O-CD2 3.25Å; K419-Y423 PolarHBondContact O-N 2.89Å
420S52.1Low56.2Low77 Ų77116.9 Ų116.954%0.53862%0.623SS.*Hα-helixtrans-57.1-41179.147.90000113Y423 L424S420-Y423 PolarHBondContact O-N 3.49Å; S420-L424 WeakPolarHBondContact O-CB 3.37Å; S420-L424 VanDerWaalsContact O-CG 3.27Å; S420-L424 WeakPolarHBondContact O-CG 3.4Å; S420-L424 PolarHBondContact O-N 2.82Å
421E64.4Low58Low133 Ų133115.6 Ų115.662%0.62161%0.608SS**Hα-helixtrans-68.3-40.3178-170.2157.3-151.400112.3K419 L424 E425K419-E421 VanDerWaalsContact C-N 3.31Å; K419-E421 PolarHBondContact O-N 3.2Å; E421-L424 PolarHBondContact O-N 2.86Å; E421-E425 WeakPolarHBondContact O-CB 3.23Å; E421-E425 PolarHBondContact O-N 2.94Å
422T65.4Low59.8Low89 Ų89118.4 Ų118.455%0.54661%0.613SS.*Hα-helixtrans-64.8-39.1173-50.50000112A418 K419 E425 A426A418-T422 PolarHBondContact O-OG1 3.34Å; K419-T422 PolarHBondContact O-N 3.31Å; T422-E425 PolarHBondContact O-N 2.88Å; T422-A426 VanDerWaalsContact O-CB 3.3Å; T422-A426 WeakPolarHBondContact O-CB 3.5Å; T422-A426 PolarHBondContact O-N 3.31Å
423Y54.1Low62.2Low161 Ų161118.8 Ų118.863%0.63160%0.598SS**Hα-helixtrans-64.7-42.8172.2-73.2-61000111.9K419 S420 E425 A426 I427K419-Y423 HydrophobicContact CB-CD2 4.42Å; K419-Y423 HydrophobicContact CB-CE2 4.17Å; K419-Y423 WeakPolarHBondContact O-CD2 3.25Å; K419-Y423 PolarHBondContact O-N 2.89Å; S420-Y423 PolarHBondContact O-N 3.49Å; Y423-E425 VanDerWaalsContact C-N 3.34Å; Y423-E425 PolarHBondContact O-N 3.28Å; Y423-A426 PolarHBondContact O-N 3.08Å; Y423-I427 WeakPolarHBondContact O-CB 3.39Å; Y423-I427 WeakPolarHBondContact O-CD1 3.33Å; Y423-I427 WeakPolarHBondContact O-CG1 3.5Å; Y423-I427 PolarHBondContact O-N 3.43Å
424L72Confident63.5Low93 Ų93114.8 Ų114.849%0.48758%0.582SS.*Hα-helixtrans-65.4-35.9176.1-73.3169.8000112.2S420 E421 I427 R428S420-L424 WeakPolarHBondContact O-CB 3.37Å; S420-L424 VanDerWaalsContact O-CG 3.27Å; S420-L424 WeakPolarHBondContact O-CG 3.4Å; S420-L424 PolarHBondContact O-N 2.82Å; E421-L424 PolarHBondContact O-N 2.86Å; L424-I427 PolarHBondContact O-N 3.47Å; L424-R428 WeakPolarHBondContact O-CB 3.25Å; L424-R428 VanDerWaalsContact O-CG 3.26Å; L424-R428 WeakPolarHBondContact O-CG 3.42Å; L424-R428 PolarHBondContact O-N 3.03Å
425E75.9Confident65.8Low100 Ų100117.2 Ų117.247%0.46758%0.582SS.*Hα-helixtrans-71.8-37.5174.9-154.1-169-136.500112E421 T422 Y423 R428 K429E421-E425 WeakPolarHBondContact O-CB 3.23Å; E421-E425 PolarHBondContact O-N 2.94Å; T422-E425 PolarHBondContact O-N 2.88Å; Y423-E425 VanDerWaalsContact C-N 3.34Å; Y423-E425 PolarHBondContact O-N 3.28Å; E425-R428 PolarHBondContact O-N 3.2Å; E425-K429 WeakPolarHBondContact O-CB 3.35Å; E425-K429 WeakPolarHBondContact O-CG 3.5Å; E425-K429 PolarHBondContact O-N 3.29Å; E425-K429 IonicContact OE1-NZ 2.69Å; E425-K429 IonicContact OE2-NZ 2.68Å; E425-K429 PolarHBondContact OE2-NZ 3.28Å
426A71Confident67.3Low54 Ų54118.1 Ų118.145%0.44658%0.579SS.*Hα-helixtrans-63.5-42.4170.700000111.7T422 Y423 K429 N430T422-A426 VanDerWaalsContact O-CB 3.3Å; T422-A426 WeakPolarHBondContact O-CB 3.5Å; T422-A426 PolarHBondContact O-N 3.31Å; Y423-A426 PolarHBondContact O-N 3.08Å; A426-K429 PolarHBondContact O-N 2.9Å; A426-N430 VanDerWaalsContact O-CB 3.23Å; A426-N430 WeakPolarHBondContact O-CB 3.42Å; A426-N430 PolarHBondContact O-N 3.29Å
427I71.8Confident68.3Low91 Ų91115.4 Ų115.447%0.46757%0.567SS.*Hα-helixtrans-62.5-44.9173.9-71.2162.1000110.5Y423 L424 N430 I431Y423-I427 WeakPolarHBondContact O-CB 3.39Å; Y423-I427 WeakPolarHBondContact O-CD1 3.33Å; Y423-I427 WeakPolarHBondContact O-CG1 3.5Å; Y423-I427 PolarHBondContact O-N 3.43Å; L424-I427 PolarHBondContact O-N 3.47Å; I427-N430 PolarHBondContact O-N 2.76Å; I427-I431 HydrophobicContact CG2-CD1 3.73Å; I427-I431 HydrophobicContact CG2-CG1 4.45Å; I427-I431 WeakPolarHBondContact O-CB 3.39Å; I427-I431 VanDerWaalsContact O-CG1 3.26Å; I427-I431 WeakPolarHBondContact O-CG1 3.21Å; I427-I431 PolarHBondContact O-N 3.47Å
428R83.3Confident68.2Low169 Ų169116.4 Ų116.464%0.63857%0.566SS**Hα-helixtrans-60.5-46.1175-75.3171.1-173.6164.24.3112.1L424 E425 N430 I431 E432L424-R428 WeakPolarHBondContact O-CB 3.25Å; L424-R428 VanDerWaalsContact O-CG 3.26Å; L424-R428 WeakPolarHBondContact O-CG 3.42Å; L424-R428 PolarHBondContact O-N 3.03Å; E425-R428 PolarHBondContact O-N 3.2Å; R428-N430 VanDerWaalsContact C-N 3.33Å; R428-N430 PolarHBondContact O-N 3.09Å; R428-I431 PolarHBondContact O-N 2.69Å; R428-E432 WeakPolarHBondContact O-CB 3.5Å; R428-E432 PolarHBondContact O-N 3.41Å
429K85.5Confident68.1Low118 Ų118122.5 Ų122.551%0.51358%0.581SS.*Hα-helixtrans-65-35.2176.6-76.8168.21771600112.1E425 A426 E432 W433E425-K429 WeakPolarHBondContact O-CB 3.35Å; E425-K429 WeakPolarHBondContact O-CG 3.5Å; E425-K429 PolarHBondContact O-N 3.29Å; E425-K429 IonicContact OE1-NZ 2.69Å; E425-K429 IonicContact OE2-NZ 2.68Å; E425-K429 PolarHBondContact OE2-NZ 3.28Å; A426-K429 PolarHBondContact O-N 2.9Å; K429-E432 PolarHBondContact O-N 3.06Å; K429-W433 VanDerWaalsContact O-CB 3.24Å; K429-W433 WeakPolarHBondContact O-CB 3.19Å; K429-W433 PolarHBondContact O-N 3.49Å
430N75.8Confident67.7Low94 Ų94122.8 Ų122.850%0.50359%0.585SS.*Hα-helixtrans-68.6-44.6174.9-165.7-53.6000111.2A426 I427 R428 E432 W433 L434A426-N430 VanDerWaalsContact O-CB 3.23Å; A426-N430 WeakPolarHBondContact O-CB 3.42Å; A426-N430 PolarHBondContact O-N 3.29Å; I427-N430 PolarHBondContact O-N 2.76Å; R428-N430 VanDerWaalsContact C-N 3.33Å; R428-N430 PolarHBondContact O-N 3.09Å; N430-E432 VanDerWaalsContact C-N 3.34Å; N430-E432 PolarHBondContact O-N 3.46Å; N430-W433 PolarHBondContact O-N 2.95Å; N430-L434 WeakPolarHBondContact O-CB 3.44Å; N430-L434 PolarHBondContact O-N 3.36Å; N430-L434 WeakPolarHBondContact OD1-CD1 3.38Å
431I77.1Confident67.1Low100 Ų100127.9 Ų127.951%0.51360%0.6SS.*Hα-helixtrans-61.3-40.5172.6-68.7165000111.5I427 R428 K435I427-I431 HydrophobicContact CG2-CD1 3.73Å; I427-I431 HydrophobicContact CG2-CG1 4.45Å; I427-I431 WeakPolarHBondContact O-CB 3.39Å; I427-I431 VanDerWaalsContact O-CG1 3.26Å; I427-I431 WeakPolarHBondContact O-CG1 3.21Å; I427-I431 PolarHBondContact O-N 3.47Å; R428-I431 PolarHBondContact O-N 2.69Å; I431-K435 VanDerWaalsContact O-CB 3.23Å; I431-K435 WeakPolarHBondContact O-CB 3.38Å; I431-K435 PolarHBondContact O-N 2.68Å
432E78.9Confident66.5Low135 Ų135124.9 Ų124.963%0.63161%0.605SS**Hα-helixtrans-68.9-39176.9-171.3173.2-163.900112R428 K429 N430 K435 K436R428-E432 WeakPolarHBondContact O-CB 3.5Å; R428-E432 PolarHBondContact O-N 3.41Å; K429-E432 PolarHBondContact O-N 3.06Å; N430-E432 VanDerWaalsContact C-N 3.34Å; N430-E432 PolarHBondContact O-N 3.46Å; E432-K435 PolarHBondContact O-N 2.82Å; E432-K436 WeakPolarHBondContact O-CB 3.34Å; E432-K436 PolarHBondContact O-N 3.29Å
433W78.2Confident65.8Low152 Ų152130 Ų13058%0.57662%0.62SS**Hα-helixtrans-63.1-49.3172.9-176.186.2000111.4K429 N430 K435 K436 H437K429-W433 VanDerWaalsContact O-CB 3.24Å; K429-W433 WeakPolarHBondContact O-CB 3.19Å; K429-W433 PolarHBondContact O-N 3.49Å; N430-W433 PolarHBondContact O-N 2.95Å; W433-K435 VanDerWaalsContact C-N 3.33Å; W433-K435 PolarHBondContact O-N 2.95Å; W433-K436 PolarHBondContact O-N 3.43Å; W433-H437 AromaticContact CD1-CD2 3.65Å; W433-H437 AromaticContact CD1-NE2 3.84Å; W433-H437 AromaticContact CD2-CD2 3.83Å; W433-H437 AromaticContact CE2-CD2 3.4Å; W433-H437 AromaticContact CE2-NE2 3.77Å; W433-H437 AromaticContact CG-CD2 3.97Å; W433-H437 AromaticContact CZ2-CD2 3.87Å; W433-H437 AromaticContact NE1-CD2 3.27Å; W433-H437 PolarHBondContact NE1-CD2 3.32Å; W433-H437 VanDerWaalsContact NE1-CD2 3.27Å; W433-H437 AromaticContact NE1-NE2 3.26Å; W433-H437 PolarHBondContact NE1-NE2 3.23Å; W433-H437 PolarHBondContact O-CD2 2.86Å; W433-H437 PolarHBondContact O-N 2.83Å
434L63.3Low65.6Low93 Ų93128.1 Ų128.149%0.48762%0.62SS.*Hα-helixtrans-54.1-47.6171.2-87.2159.3000111.2N430 K436 H437 N438N430-L434 WeakPolarHBondContact O-CB 3.44Å; N430-L434 PolarHBondContact O-N 3.36Å; N430-L434 WeakPolarHBondContact OD1-CD1 3.38Å; L434-K436 PolarHBondContact O-N 3.25Å; L434-H437 PolarHBondContact O-N 3.1Å; L434-N438 WeakPolarHBondContact O-CB 3.41Å; L434-N438 PolarHBondContact O-N 3.05Å
435K75.8Confident64.5Low170 Ų170131.6 Ų131.674%0.73964%0.64SS**Hα-helixtrans-65.5-25.5178.7-172175.1-177.9178.30113.5I431 E432 W433I431-K435 VanDerWaalsContact O-CB 3.23Å; I431-K435 WeakPolarHBondContact O-CB 3.38Å; I431-K435 PolarHBondContact O-N 2.68Å; E432-K435 PolarHBondContact O-N 2.82Å; W433-K435 VanDerWaalsContact C-N 3.33Å; W433-K435 PolarHBondContact O-N 2.95Å
436K70.9Confident63.4Low163 Ų163135.5 Ų135.571%0.70965%0.651SS**Hα-helixtrans-83.9-35.9177.6-168.1176.1-179.1-177.60112.4E432 W433 L434E432-K436 WeakPolarHBondContact O-CB 3.34Å; E432-K436 PolarHBondContact O-N 3.29Å; W433-K436 PolarHBondContact O-N 3.43Å; L434-K436 PolarHBondContact O-N 3.25Å
437H57.2Low63.1Low101 Ų101138.4 Ų138.447%0.46866%0.659SS.*Hα-helixtrans-88.7-29.2179.6-77.9-82.7000113.8W433 L434 K439 E440W433-H437 AromaticContact CD1-CD2 3.65Å; W433-H437 AromaticContact CD1-NE2 3.84Å; W433-H437 AromaticContact CD2-CD2 3.83Å; W433-H437 AromaticContact CE2-CD2 3.4Å; W433-H437 AromaticContact CE2-NE2 3.77Å; W433-H437 AromaticContact CG-CD2 3.97Å; W433-H437 AromaticContact CZ2-CD2 3.87Å; W433-H437 AromaticContact NE1-CD2 3.27Å; W433-H437 PolarHBondContact NE1-CD2 3.32Å; W433-H437 VanDerWaalsContact NE1-CD2 3.27Å; W433-H437 AromaticContact NE1-NE2 3.26Å; W433-H437 PolarHBondContact NE1-NE2 3.23Å; W433-H437 PolarHBondContact O-CD2 2.86Å; W433-H437 PolarHBondContact O-N 2.83Å; L434-H437 PolarHBondContact O-N 3.1Å; H437-K439 PolarHBondContact O-N 2.69Å; H437-E440 PolarHBondContact O-N 3.45Å
438N50.9Low62.9Low137 Ų137138.8 Ų138.873%0.73366%0.662SS**THydrogen-bonded Turntrans-74.628.4173.2-162.534.4000113.2L434L434-N438 WeakPolarHBondContact O-CB 3.41Å; L434-N438 PolarHBondContact O-N 3.05Å
439K52.7Low62.1Low186 Ų186134.7 Ų134.781%0.80966%0.659SS**THydrogen-bonded Turntrans-116.3-13176.1-160.3178.6180-173.50112.2H437H437-K439 PolarHBondContact O-N 2.69Å
440E45.8Very low61.6Low163 Ų163136.5 Ų136.576%0.76267%0.667SS**SBendtrans-101.1138.7164.9-68.8179.3163.900107.7H437H437-E440 PolarHBondContact O-N 3.45Å
441E39.9Very low61.6Low184 Ų184136 Ų13686%0.8666%0.664SS**  trans6676-176-52.6-156.412900116.8
442G51.9Low61.7Low70 Ų70134.6 Ų134.672%0.72265%0.654SS**  trans-65.1159.4154.600000112.1
443K50.5Low61.7Low196 Ų196133.2 Ų133.285%0.85265%0.651SS**  trans86.572.7-159.1-55.7168.5-171.6168.60112.7
444N49.9Very low61.9Low121 Ų121131.2 Ų131.265%0.64765%0.646SS**  -171.881.7128.9-87.8-29.2000107.6Y446N444-Y446 HydrophobicContact CB-CD2 3.64Å; N444-Y446 HydrophobicContact CB-CE2 3.79Å; N444-Y446 PolarHBondContact O-N 3.49Å
445D48.4Very low62.9Low167 Ų167128.6 Ų128.689%0.89363%0.632SS**  trans-67.176.1152.6-66.4-39000106.3D447D445-D447 PolarHBondContact O-N 3.01Å; D445-D447 VanDerWaalsContact O-N 3.09Å
446Y52.9Low63.3Low182 Ų182122.1 Ų122.171%0.71461%0.606SS**  trans-55.2116.1172.8-98-80000107N444 L448N444-Y446 HydrophobicContact CB-CD2 3.64Å; N444-Y446 HydrophobicContact CB-CE2 3.79Å; N444-Y446 PolarHBondContact O-N 3.49Å; Y446-L448 PolarHBondContact O-N 3.37Å
447D64.6Low64.1Low115 Ų115121 Ų12162%0.61560%0.603SS**  trans-45.793.5-168.3-77.9-50.4000112.5D445 S449 K450 L451D445-D447 PolarHBondContact O-N 3.01Å; D445-D447 VanDerWaalsContact O-N 3.09Å; D447-S449 PolarHBondContact O-N 2.86Å; D447-K450 HydrophobicContact CB-CB 3.71Å; D447-K450 WeakPolarHBondContact O-CA 3.28Å; D447-K450 WeakPolarHBondContact O-CB 3.48Å; D447-K450 PolarHBondContact O-N 3.47Å; D447-L451 PolarHBondContact O-N 3.49Å; D447-L451 VanDerWaalsContact O-N 3.09Å
448L66.5Low65.5Low98 Ų98119.1 Ų119.151%0.51359%0.594SS.*Hα-helixtrans-59.9-31.2179.8-68.9171.1000110.3Y446 K450 L451 K452Y446-L448 PolarHBondContact O-N 3.37Å; L448-K450 PolarHBondContact O-N 2.86Å; L448-L451 PolarHBondContact O-N 3.29Å; L448-K452 VanDerWaalsContact O-CB 3.24Å; L448-K452 WeakPolarHBondContact O-CB 3.26Å; L448-K452 PolarHBondContact O-N 3.06Å
449S67.8Low67.3Low84 Ų84112.8 Ų112.859%0.58756%0.561SS**Hα-helixtrans-58.1-42.1169.5-54.10000113.1D447 K452 D453D447-S449 PolarHBondContact O-N 2.86Å; S449-K452 PolarHBondContact O-N 3.09Å; S449-D453 VanDerWaalsContact O-CG 3.23Å; S449-D453 PolarHBondContact O-N 3.36Å
450K75.1Confident69Low156 Ų156107.8 Ų107.868%0.67854%0.543SS*.Hα-helixtrans-74.4-35.5-179.4-168.5179.5-178.2-176.10111.8D447 L448 F454D447-K450 HydrophobicContact CB-CB 3.71Å; D447-K450 WeakPolarHBondContact O-CA 3.28Å; D447-K450 WeakPolarHBondContact O-CB 3.48Å; D447-K450 PolarHBondContact O-N 3.47Å; L448-K450 PolarHBondContact O-N 2.86Å; K450-F454 WeakPolarHBondContact O-CB 3.29Å; K450-F454 PolarHBondContact O-N 2.9Å
451L75.6Confident71.1Confident83 Ų83101.3 Ų101.344%0.43552%0.516SS..Hα-helixtrans-64.2-43.9170.3177.961.1000110.9D447 L448 F454 M455D447-L451 PolarHBondContact O-N 3.49Å; D447-L451 VanDerWaalsContact O-N 3.09Å; L448-L451 PolarHBondContact O-N 3.29Å; L451-F454 PolarHBondContact O-N 3.17Å; L451-M455 HydrophobicContact CD1-CG 4.25Å; L451-M455 WeakPolarHBondContact O-CB 3.48Å; L451-M455 VanDerWaalsContact O-CG 3.29Å; L451-M455 WeakPolarHBondContact O-CG 3.36Å; L451-M455 PolarHBondContact O-N 2.97Å
452K78.4Confident73.3Confident70 Ų7097.1 Ų97.130%0.30449%0.493SS..Hα-helixtrans-60.4-51.8176.6178.5-175170.4172.40112L448 S449 F454 M455 D456 S481L448-K452 VanDerWaalsContact O-CB 3.24Å; L448-K452 WeakPolarHBondContact O-CB 3.26Å; L448-K452 PolarHBondContact O-N 3.06Å; S449-K452 PolarHBondContact O-N 3.09Å; K452-F454 PolarHBondContact O-N 3.44Å; K452-M455 PolarHBondContact O-N 3.35Å; K452-M455 VanDerWaalsContact O-N 3.09Å; K452-D456 PolarHBondContact O-N 3.1Å; K452-S481 WeakPolarHBondContact CE-OG 3.24Å; K452-S481 PolarHBondContact NZ-OG 3.09Å
453D78.7Confident75.1Confident107 Ų10795.8 Ų95.857%0.57247%0.469SS*.Hα-helixtrans-58.7-38.8-179.7-70.4-14.2000111.4S449 Q457S449-D453 VanDerWaalsContact O-CG 3.23Å; S449-D453 PolarHBondContact O-N 3.36Å; D453-Q457 WeakPolarHBondContact O-CB 3.17Å; D453-Q457 PolarHBondContact O-N 3.19Å; D453-Q457 VanDerWaalsContact O-N 3.15Å
454F84.2Confident76.8Confident109 Ų10994.6 Ų94.648%0.47847%0.466SS..Hα-helixtrans-66.2-44.5174178.1-97.7000112.6K450 L451 K452 Q457 Q458K450-F454 WeakPolarHBondContact O-CB 3.29Å; K450-F454 PolarHBondContact O-N 2.9Å; L451-F454 PolarHBondContact O-N 3.17Å; K452-F454 PolarHBondContact O-N 3.44Å; F454-Q457 PolarHBondContact O-N 3.45Å; F454-Q458 HydrophobicContact CD1-CG 4.23Å; F454-Q458 HydrophobicContact CE1-CG 3.8Å; F454-Q458 HydrophobicContact CE2-CG 4.11Å; F454-Q458 HydrophobicContact CZ-CG 3.74Å; F454-Q458 WeakPolarHBondContact O-CG 3.16Å; F454-Q458 PolarHBondContact O-N 3.02Å
455M84.1Confident78.6Confident38 Ų3895.1 Ų95.119%0.18746%0.463CS..Hα-helixtrans-64.7-42.6178-73.5-60.7-55.100112L451 K452 Q457 Q458 V459 I476 Y480L451-M455 HydrophobicContact CD1-CG 4.25Å; L451-M455 WeakPolarHBondContact O-CB 3.48Å; L451-M455 VanDerWaalsContact O-CG 3.29Å; L451-M455 WeakPolarHBondContact O-CG 3.36Å; L451-M455 PolarHBondContact O-N 2.97Å; K452-M455 PolarHBondContact O-N 3.35Å; K452-M455 VanDerWaalsContact O-N 3.09Å; M455-Q457 VanDerWaalsContact C-N 3.31Å; M455-Q457 PolarHBondContact O-N 2.93Å; M455-Q458 PolarHBondContact O-N 3.45Å; M455-V459 WeakPolarHBondContact O-CB 3.39Å; M455-V459 VanDerWaalsContact O-CG2 3.28Å; M455-V459 WeakPolarHBondContact O-CG2 3.47Å; M455-V459 PolarHBondContact O-N 3.44Å; M455-I476 HydrophobicContact CE-CG2 4.34Å; M455-Y480 HydrophobicContact CB-CD1 4.39Å; M455-Y480 HydrophobicContact CB-CG 4.33Å; M455-Y480 HydrophobicContact CE-CD2 4.03Å; M455-Y480 HydrophobicContact CE-CE1 4.2Å; M455-Y480 HydrophobicContact CE-CE2 3.63Å; M455-Y480 HydrophobicContact CE-CG 4.47Å; M455-Y480 HydrophobicContact CG-CD1 3.81Å; M455-Y480 HydrophobicContact CG-CE1 3.91Å; M455-Y480 HydrophobicContact CG-CG 4.2Å; M455-Y480 HydrophobicContact SD-CE1 4.29Å
456D83.3Confident80.4Confident35 Ų3590.3 Ų90.319%0.18745%0.453CS..Hα-helixtrans-60-42.9176-79.3-18.8000110.8K452 V459 D460 K477K452-D456 PolarHBondContact O-N 3.1Å; D456-V459 PolarHBondContact O-N 3.05Å; D456-D460 PolarHBondContact O-N 2.86Å; D456-K477 HydrophobicContact CB-CD 4.45Å; D456-K477 VanDerWaalsContact O-CE 3.26Å; D456-K477 WeakPolarHBondContact O-CE 3.41Å; D456-K477 PolarHBondContact O-NZ 3.18Å; D456-K477 WeakPolarHBondContact OD1-CB 3.33Å; D456-K477 WeakPolarHBondContact OD1-CD 3.35Å; D456-K477 WeakPolarHBondContact OD1-CG 3.13Å
457Q88.6Confident81.9Confident139 Ų13986.9 Ų86.965%0.6545%0.445SS*.Hα-helixtrans-68.8-37.9178.4-168.917623.800113.5D453 F454 M455 S461D453-Q457 WeakPolarHBondContact O-CB 3.17Å; D453-Q457 PolarHBondContact O-N 3.19Å; D453-Q457 VanDerWaalsContact O-N 3.15Å; F454-Q457 PolarHBondContact O-N 3.45Å; M455-Q457 VanDerWaalsContact C-N 3.31Å; M455-Q457 PolarHBondContact O-N 2.93Å; Q457-S461 WeakPolarHBondContact O-CB 3.34Å; Q457-S461 PolarHBondContact O-N 3.12Å; Q457-S461 VanDerWaalsContact O-N 3.09Å
458Q85.6Confident82.9Confident61 Ų6183.3 Ų83.329%0.28543%0.426SS..Hα-helixtrans-69.6-39.2175.3-71.7-64.1-15.200112F454 M455 S461 Y462F454-Q458 HydrophobicContact CD1-CG 4.23Å; F454-Q458 HydrophobicContact CE1-CG 3.8Å; F454-Q458 HydrophobicContact CE2-CG 4.11Å; F454-Q458 HydrophobicContact CZ-CG 3.74Å; F454-Q458 WeakPolarHBondContact O-CG 3.16Å; F454-Q458 PolarHBondContact O-N 3.02Å; M455-Q458 PolarHBondContact O-N 3.45Å; Q458-S461 WeakPolarHBondContact O-CB 3.24Å; Q458-S461 PolarHBondContact O-N 3.35Å; Q458-Y462 PolarHBondContact O-N 2.92Å
459V88.4Confident83.9Confident5 Ų580.8 Ų80.83%0.0342%0.419CS..Hα-helixtrans-64.5-42.2175.9172.60000111M455 D456 S461 Y462 I463 I476 K477M455-V459 WeakPolarHBondContact O-CB 3.39Å; M455-V459 VanDerWaalsContact O-CG2 3.28Å; M455-V459 WeakPolarHBondContact O-CG2 3.47Å; M455-V459 PolarHBondContact O-N 3.44Å; D456-V459 PolarHBondContact O-N 3.05Å; V459-S461 VanDerWaalsContact C-N 3.35Å; V459-S461 PolarHBondContact O-N 3.5Å; V459-Y462 PolarHBondContact O-N 3.36Å; V459-I463 HydrophobicContact CG1-CD1 3.88Å; V459-I463 HydrophobicContact CG1-CG1 4.4Å; V459-I463 VanDerWaalsContact O-CG1 3.32Å; V459-I463 WeakPolarHBondContact O-CG1 3.38Å; V459-I463 PolarHBondContact O-N 3.42Å; V459-I476 HydrophobicContact CG2-CB 4.23Å; V459-I476 HydrophobicContact CG2-CG2 3.73Å; V459-K477 HydrophobicContact CB-CG 4.14Å; V459-K477 HydrophobicContact CG1-CD 4.36Å; V459-K477 HydrophobicContact CG1-CG 3.95Å; V459-K477 HydrophobicContact CG2-CG 4.44Å
460D88.2Confident84.9Confident80 Ų8083.6 Ų83.643%0.42842%0.421SS..Hα-helixtrans-60.8-42.6173.6-76-36.3000112.2D456 Y462 I463 E464 K477D456-D460 PolarHBondContact O-N 2.86Å; D460-Y462 VanDerWaalsContact C-N 3.28Å; D460-Y462 PolarHBondContact O-N 3.29Å; D460-I463 PolarHBondContact O-N 3.15Å; D460-E464 WeakPolarHBondContact O-CB 3.23Å; D460-E464 PolarHBondContact O-N 2.94Å; D460-K477 IonicContact OD1-NZ 2.61Å; D460-K477 PolarHBondContact OD1-NZ 3.1Å; D460-K477 IonicContact OD2-NZ 2.7Å; D460-K477 PolarHBondContact OD2-NZ 3.42Å
461S90.4Very high85.4Confident28 Ų2881.5 Ų81.520%0.19642%0.417CS..Hα-helixtrans-59.1-36.4175-173.40000112.6Q457 Q458 V459 K465Q457-S461 WeakPolarHBondContact O-CB 3.34Å; Q457-S461 PolarHBondContact O-N 3.12Å; Q457-S461 VanDerWaalsContact O-N 3.09Å; Q458-S461 WeakPolarHBondContact O-CB 3.24Å; Q458-S461 PolarHBondContact O-N 3.35Å; V459-S461 VanDerWaalsContact C-N 3.35Å; V459-S461 PolarHBondContact O-N 3.5Å; S461-K465 WeakPolarHBondContact O-CB 3.4Å; S461-K465 WeakPolarHBondContact O-CD 3.37Å; S461-K465 WeakPolarHBondContact O-CG 3.38Å; S461-K465 PolarHBondContact O-N 2.84Å; S461-K465 VanDerWaalsContact O-N 3.1Å; S461-K465 PolarHBondContact OG-NZ 3.4Å
462Y87.2Confident85.8Confident95 Ų9582.8 Ų82.837%0.37342%0.421SS..Hα-helixtrans-80.7-28.7177.6-68.3-17.6000113.8Q458 V459 D460 G466 I467 I468Q458-Y462 PolarHBondContact O-N 2.92Å; V459-Y462 PolarHBondContact O-N 3.36Å; D460-Y462 VanDerWaalsContact C-N 3.28Å; D460-Y462 PolarHBondContact O-N 3.29Å; Y462-G466 PolarHBondContact O-N 3.26Å; Y462-I467 HydrophobicContact CD1-CD1 3.86Å; Y462-I467 HydrophobicContact CE1-CD1 4.3Å; Y462-I467 PolarHBondContact O-N 3.39Å; Y462-I468 HydrophobicContact CD2-CD1 3.82Å; Y462-I468 HydrophobicContact CG-CD1 4.37Å; Y462-I468 PolarHBondContact O-N 3.21Å
463I88.3Confident86.2Confident42 Ų4279.4 Ų79.422%0.21541%0.406CS..Hα-helixtrans-68.2-45.2168.2-65164.6000110V459 D460 K465 G466 K470V459-I463 HydrophobicContact CG1-CD1 3.88Å; V459-I463 HydrophobicContact CG1-CG1 4.4Å; V459-I463 VanDerWaalsContact O-CG1 3.32Å; V459-I463 WeakPolarHBondContact O-CG1 3.38Å; V459-I463 PolarHBondContact O-N 3.42Å; D460-I463 PolarHBondContact O-N 3.15Å; I463-K465 VanDerWaalsContact C-N 3.32Å; I463-K465 PolarHBondContact O-N 2.84Å; I463-G466 PolarHBondContact O-N 3.09Å; I463-K470 HydrophobicContact CG2-CB 4.32Å; I463-K470 HydrophobicContact CG2-CG 4.48Å
464E87.4Confident86.5Confident172 Ų17277.7 Ų77.780%0.80440%0.397SS*.Hα-helixtrans-63-36.6179.1-174.5174.6-156.600112.3D460 G466D460-E464 WeakPolarHBondContact O-CB 3.23Å; D460-E464 PolarHBondContact O-N 2.94Å; E464-G466 VanDerWaalsContact C-N 3.29Å; E464-G466 PolarHBondContact O-N 2.91Å
465K87.8Confident86.5Confident132 Ų13275.3 Ų75.357%0.57439%0.392SS*.THydrogen-bonded Turntrans-79.6-3.7174.1-69.6166.9-174.8158.50114.3S461 I463 I467S461-K465 WeakPolarHBondContact O-CB 3.4Å; S461-K465 WeakPolarHBondContact O-CD 3.37Å; S461-K465 WeakPolarHBondContact O-CG 3.38Å; S461-K465 PolarHBondContact O-N 2.84Å; S461-K465 VanDerWaalsContact O-N 3.1Å; S461-K465 PolarHBondContact OG-NZ 3.4Å; I463-K465 VanDerWaalsContact C-N 3.32Å; I463-K465 PolarHBondContact O-N 2.84Å; K465-I467 VanDerWaalsContact C-N 3.26Å; K465-I467 HydrophobicContact CB-CD1 3.71Å; K465-I467 HydrophobicContact CB-CG1 3.83Å; K465-I467 HydrophobicContact CD-CD1 3.96Å; K465-I467 HydrophobicContact CG-CD1 4.49Å; K465-I467 PolarHBondContact O-N 3.38Å
466G84.6Confident86.4Confident66 Ų6676 Ų7668%0.6840%0.395SS*.THydrogen-bonded Turntrans67.321.4-177.300000114.8Y462 I463 E464Y462-G466 PolarHBondContact O-N 3.26Å; I463-G466 PolarHBondContact O-N 3.09Å; E464-G466 VanDerWaalsContact C-N 3.29Å; E464-G466 PolarHBondContact O-N 2.91Å
467I84.9Confident86.6Confident109 Ų10976 Ų7656%0.55939%0.394SS*.SBendtrans-81.7-31.9-179.2-61.2169.9000111Y462 K465Y462-I467 HydrophobicContact CD1-CD1 3.86Å; Y462-I467 HydrophobicContact CE1-CD1 4.3Å; Y462-I467 PolarHBondContact O-N 3.39Å; K465-I467 VanDerWaalsContact C-N 3.26Å; K465-I467 HydrophobicContact CB-CD1 3.71Å; K465-I467 HydrophobicContact CB-CG1 3.83Å; K465-I467 HydrophobicContact CD-CD1 3.96Å; K465-I467 HydrophobicContact CG-CD1 4.49Å; K465-I467 PolarHBondContact O-N 3.38Å
468I86.3Confident86.3Confident41 Ų4176.8 Ų76.821%0.2139%0.391CS..SBendtrans-129.8139.3-179.6-61.9-179.3000108.6Y462 E472 I476Y462-I468 HydrophobicContact CD2-CD1 3.82Å; Y462-I468 HydrophobicContact CG-CD1 4.37Å; Y462-I468 PolarHBondContact O-N 3.21Å; I468-E472 HydrophobicContact CG2-CB 3.65Å; I468-I476 HydrophobicContact CD1-CD1 4.31Å
469A88.2Confident86Confident45 Ų4578.3 Ų78.337%0.37240%0.4SS..  trans-69.4149.4176.700000111.1D471 E472 G473A469-D471 VanDerWaalsContact C-N 3.27Å; A469-D471 VanDerWaalsContact CB-OD1 3.24Å; A469-D471 WeakPolarHBondContact CB-OD1 3.23Å; A469-D471 PolarHBondContact O-N 3.28Å; A469-E472 HydrophobicContact CB-CB 4.48Å; A469-E472 HydrophobicContact CB-CG 4.1Å; A469-E472 WeakPolarHBondContact CB-OE2 3.45Å; A469-E472 PolarHBondContact N-OE2 2.78Å; A469-E472 VanDerWaalsContact N-OE2 3.12Å; A469-E472 WeakPolarHBondContact O-CB 3.47Å; A469-E472 PolarHBondContact O-N 3.07Å; A469-E472 VanDerWaalsContact O-N 3.11Å; A469-G473 PolarHBondContact O-N 3.34Å
470K86.8Confident85.3Confident143 Ų14382.2 Ų82.262%0.62242%0.415SS*.Hα-helixtrans-59.7-37.1-171.9-175.8175.9178177.90113.1I463 D474I463-K470 HydrophobicContact CG2-CB 4.32Å; I463-K470 HydrophobicContact CG2-CG 4.48Å; K470-D474 WeakPolarHBondContact O-CB 3.41Å; K470-D474 VanDerWaalsContact O-CG 3.31Å; K470-D474 PolarHBondContact O-N 3.4Å
471D86.2Confident84.6Confident112 Ų11280.9 Ų80.960%0.59941%0.412SS*.Hα-helixtrans-71.6-34.1177.556.7-42.2000113.6A469 T475A469-D471 VanDerWaalsContact C-N 3.27Å; A469-D471 VanDerWaalsContact CB-OD1 3.24Å; A469-D471 WeakPolarHBondContact CB-OD1 3.23Å; A469-D471 PolarHBondContact O-N 3.28Å; D471-T475 WeakPolarHBondContact O-CB 3.19Å; D471-T475 PolarHBondContact O-N 3.26Å; D471-T475 VanDerWaalsContact O-N 3.14Å; D471-T475 PolarHBondContact O-OG1 2.89Å
472E84Confident83.6Confident109 Ų10984 Ų8451%0.50943%0.433SS..Hα-helixtrans-67.4-46.7170.4-63.3177.8142.800110.5I468 A469 T475 I476I468-E472 HydrophobicContact CG2-CB 3.65Å; A469-E472 HydrophobicContact CB-CB 4.48Å; A469-E472 HydrophobicContact CB-CG 4.1Å; A469-E472 WeakPolarHBondContact CB-OE2 3.45Å; A469-E472 PolarHBondContact N-OE2 2.78Å; A469-E472 VanDerWaalsContact N-OE2 3.12Å; A469-E472 WeakPolarHBondContact O-CB 3.47Å; A469-E472 PolarHBondContact O-N 3.07Å; A469-E472 VanDerWaalsContact O-N 3.11Å; E472-T475 WeakPolarHBondContact O-CA 3.01Å; E472-T475 WeakPolarHBondContact O-CB 3.29Å; E472-T475 PolarHBondContact O-N 3.27Å; E472-T475 VanDerWaalsContact O-N 3.1Å; E472-I476 WeakPolarHBondContact O-CG1 3.23Å; E472-I476 PolarHBondContact O-N 3.31Å
473G86.2Confident82.4Confident0 Ų086.2 Ų86.20%045%0.451CS..Hα-helixtrans-59.8-49.9175.500000112.8A469 T475 I476 K477A469-G473 PolarHBondContact O-N 3.34Å; G473-T475 PolarHBondContact O-N 2.86Å; G473-T475 VanDerWaalsContact O-N 3.15Å; G473-I476 PolarHBondContact O-N 3.24Å; G473-K477 WeakPolarHBondContact O-CG 3.46Å; G473-K477 PolarHBondContact O-N 3.4Å
474D85.1Confident82.1Confident71 Ų7188.5 Ų88.538%0.3846%0.463SS..Hα-helixtrans-58.7-27.3174.8-78.3-21.9000112.4K470 R478K470-D474 WeakPolarHBondContact O-CB 3.41Å; K470-D474 VanDerWaalsContact O-CG 3.31Å; K470-D474 PolarHBondContact O-N 3.4Å; D474-R478 WeakPolarHBondContact O-CB 3.46Å; D474-R478 PolarHBondContact O-N 3.09Å
475T86Confident81.8Confident59 Ų5984.1 Ų84.136%0.36245%0.445SS..Hα-helixtrans-77.4-40.4174.8-62.50000112D471 E472 G473 R478 I479D471-T475 WeakPolarHBondContact O-CB 3.19Å; D471-T475 PolarHBondContact O-N 3.26Å; D471-T475 VanDerWaalsContact O-N 3.14Å; D471-T475 PolarHBondContact O-OG1 2.89Å; E472-T475 WeakPolarHBondContact O-CA 3.01Å; E472-T475 WeakPolarHBondContact O-CB 3.29Å; E472-T475 PolarHBondContact O-N 3.27Å; E472-T475 VanDerWaalsContact O-N 3.1Å; G473-T475 PolarHBondContact O-N 2.86Å; G473-T475 VanDerWaalsContact O-N 3.15Å; T475-R478 WeakPolarHBondContact O-CB 3.47Å; T475-R478 PolarHBondContact O-N 2.95Å; T475-R478 PolarHBondContact OG1-NH1 2.83Å; T475-I479 HydrophobicContact CG2-CD1 4.28Å; T475-I479 WeakPolarHBondContact O-CG1 3.17Å; T475-I479 PolarHBondContact O-N 3.35Å; T475-I479 VanDerWaalsContact O-N 3.1Å
476I81.5Confident81.5Confident52 Ų5281.4 Ų81.427%0.26744%0.438SS..Hα-helixtrans-60.9-49.3173-65.7163.6000110.1M455 V459 I468 E472 G473 R478 I479 Y480M455-I476 HydrophobicContact CE-CG2 4.34Å; V459-I476 HydrophobicContact CG2-CB 4.23Å; V459-I476 HydrophobicContact CG2-CG2 3.73Å; I468-I476 HydrophobicContact CD1-CD1 4.31Å; E472-I476 WeakPolarHBondContact O-CG1 3.23Å; E472-I476 PolarHBondContact O-N 3.31Å; G473-I476 PolarHBondContact O-N 3.24Å; I476-R478 PolarHBondContact O-N 2.93Å; I476-I479 PolarHBondContact O-N 3.34Å; I476-I479 VanDerWaalsContact O-N 3.1Å; I476-Y480 HydrophobicContact CG2-CD2 3.94Å; I476-Y480 HydrophobicContact CG2-CE2 4.12Å; I476-Y480 WeakPolarHBondContact O-CD2 3.03Å; I476-Y480 PolarHBondContact O-N 2.81Å
477K86.3Confident81.3Confident35 Ų3582.3 Ų82.315%0.15242%0.424CS..Hα-helixtrans-56.6-38176.3-65.5-167.4177.9-171.20112.8D456 V459 D460 G473 S481D456-K477 HydrophobicContact CB-CD 4.45Å; D456-K477 VanDerWaalsContact O-CE 3.26Å; D456-K477 WeakPolarHBondContact O-CE 3.41Å; D456-K477 PolarHBondContact O-NZ 3.18Å; D456-K477 WeakPolarHBondContact OD1-CB 3.33Å; D456-K477 WeakPolarHBondContact OD1-CD 3.35Å; D456-K477 WeakPolarHBondContact OD1-CG 3.13Å; V459-K477 HydrophobicContact CB-CG 4.14Å; V459-K477 HydrophobicContact CG1-CD 4.36Å; V459-K477 HydrophobicContact CG1-CG 3.95Å; V459-K477 HydrophobicContact CG2-CG 4.44Å; D460-K477 IonicContact OD1-NZ 2.61Å; D460-K477 PolarHBondContact OD1-NZ 3.1Å; D460-K477 IonicContact OD2-NZ 2.7Å; D460-K477 PolarHBondContact OD2-NZ 3.42Å; G473-K477 WeakPolarHBondContact O-CG 3.46Å; G473-K477 PolarHBondContact O-N 3.4Å; K477-S481 WeakPolarHBondContact O-CB 3.42Å; K477-S481 PolarHBondContact O-N 2.68Å; K477-S481 PolarHBondContact O-OG 3.26Å
478R83.3Confident81.1Confident155 Ų15580.6 Ų80.659%0.58542%0.415SS*.Hα-helixtrans-66.4-39.7177.2-169-175-55.4117.711.2112.5D474 T475 I476 S482D474-R478 WeakPolarHBondContact O-CB 3.46Å; D474-R478 PolarHBondContact O-N 3.09Å; T475-R478 WeakPolarHBondContact O-CB 3.47Å; T475-R478 PolarHBondContact O-N 2.95Å; T475-R478 PolarHBondContact OG1-NH1 2.83Å; I476-R478 PolarHBondContact O-N 2.93Å; R478-S482 PolarHBondContact O-N 3.48Å
479I79.6Confident80.7Confident94 Ų9483.3 Ų83.348%0.48243%0.429SS..Hα-helixtrans-66-50.1177.5-67.3163.3000109.8T475 I476 S481 S482 L483T475-I479 HydrophobicContact CG2-CD1 4.28Å; T475-I479 WeakPolarHBondContact O-CG1 3.17Å; T475-I479 PolarHBondContact O-N 3.35Å; T475-I479 VanDerWaalsContact O-N 3.1Å; I476-I479 PolarHBondContact O-N 3.34Å; I476-I479 VanDerWaalsContact O-N 3.1Å; I479-S481 VanDerWaalsContact C-N 3.3Å; I479-S481 PolarHBondContact O-N 3.35Å; I479-S482 PolarHBondContact O-N 3.17Å; I479-S482 PolarHBondContact O-OG 2.82Å; I479-L483 PolarHBondContact O-N 2.73Å
480Y73.3Confident80.2Confident86 Ų8686 Ų8634%0.33743%0.433SS..Hα-helixtrans-68.1-26.8178-81-89.6000113.6M455 I476 S482M455-Y480 HydrophobicContact CB-CD1 4.39Å; M455-Y480 HydrophobicContact CB-CG 4.33Å; M455-Y480 HydrophobicContact CE-CD2 4.03Å; M455-Y480 HydrophobicContact CE-CE1 4.2Å; M455-Y480 HydrophobicContact CE-CE2 3.63Å; M455-Y480 HydrophobicContact CE-CG 4.47Å; M455-Y480 HydrophobicContact CG-CD1 3.81Å; M455-Y480 HydrophobicContact CG-CE1 3.91Å; M455-Y480 HydrophobicContact CG-CG 4.2Å; M455-Y480 HydrophobicContact SD-CE1 4.29Å; I476-Y480 HydrophobicContact CG2-CD2 3.94Å; I476-Y480 HydrophobicContact CG2-CE2 4.12Å; I476-Y480 WeakPolarHBondContact O-CD2 3.03Å; I476-Y480 PolarHBondContact O-N 2.81Å; Y480-S482 PolarHBondContact O-N 2.88Å
481S72.6Confident79.7Confident53 Ų5381.6 Ų81.637%0.37142%0.418SS..THydrogen-bonded Turntrans-74.9-4.8169.9-67.80000114.5K452 K477 I479K452-S481 WeakPolarHBondContact CE-OG 3.24Å; K452-S481 PolarHBondContact NZ-OG 3.09Å; K477-S481 WeakPolarHBondContact O-CB 3.42Å; K477-S481 PolarHBondContact O-N 2.68Å; K477-S481 PolarHBondContact O-OG 3.26Å; I479-S481 VanDerWaalsContact C-N 3.3Å; I479-S481 PolarHBondContact O-N 3.35Å
482S71.1Confident79.1Confident93 Ų9379.1 Ų79.165%0.6540%0.403SS*.THydrogen-bonded Turntrans-107.4-5.6178.273.40000114.2R478 I479 Y480R478-S482 PolarHBondContact O-N 3.48Å; I479-S482 PolarHBondContact O-N 3.17Å; I479-S482 PolarHBondContact O-OG 2.82Å; Y480-S482 PolarHBondContact O-N 2.88Å
483L60.6Low78.7Confident142 Ų14276.4 Ų76.474%0.74339%0.394SS*.  trans-74.80159.6-96.774000110.2I479I479-L483 PolarHBondContact O-N 2.73Å

Retrieved 483 of 483 residues in 241.8 ms (Link to these results)