A0A087Y975_POEFO Loading...

Transcription factor EC

AlphaFold DB , UniProt , Accession A0A087Y975, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 407 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
1M42.7Very low48Very low234 Ų234139.6 Ų139.6100%1.15373%0.726SS**  0101.30-78.5-61.9172.100108.7
2P41.5Very low48.6Very low115 Ų115138.8 Ų138.875%0.74772%0.718SS**  trans-78.9171.8165.3-0.320000111
3H42.1Very low49.3Very low159 Ų159139.5 Ų139.574%0.73671%0.706SS**  trans-104.4152.3-152.817.2-94.7000113.6S5H3-S5 PolarHBondContact O-N 3.07Å; H3-S5 VanDerWaalsContact O-N 3.07Å
4L50.8Low49.8Very low176 Ų176136.9 Ų136.992%0.92170%0.695SS**G310 helixtrans-78.622.8-169.7-86.1156000116
5S51.3Low50.3Low94 Ų94132 Ų13266%0.65768%0.684SS**G310 helixtrans-84.8-22.7-164.1-52.10000116H3 C7H3-S5 PolarHBondContact O-N 3.07Å; H3-S5 VanDerWaalsContact O-N 3.07Å; S5-C7 PolarHBondContact O-N 3.44Å
6D47.4Very low50.7Low121 Ų121130 Ų13065%0.64768%0.679SS**G310 helixtrans-82.4-3.9-169-76.7-26.2000116S8 Y9D6-S8 PolarHBondContact O-N 2.91Å; D6-S8 VanDerWaalsContact O-N 3.15Å; D6-Y9 PolarHBondContact O-N 2.96Å
7C49.2Very low51.1Low99 Ų99133.1 Ų133.167%0.66968%0.68SS**Hα-helixtrans-63.4-25.7-172.1-164.80000113.8S5S5-C7 PolarHBondContact O-N 3.44Å
8S52.3Low51.5Low89 Ų89129.1 Ų129.162%0.62267%0.67SS**Hα-helixtrans-69.9-39.6180-168.80000113.1D6 K11 M12D6-S8 PolarHBondContact O-N 2.91Å; D6-S8 VanDerWaalsContact O-N 3.15Å; S8-K11 PolarHBondContact O-N 2.79Å; S8-M12 PolarHBondContact O-N 3.17Å
9Y47.6Very low51.7Low132 Ų132126.6 Ų126.652%0.51867%0.665SS.*Hα-helixtrans-71.9-36.9-171.4-168.6-102.9000112.9D6 R13D6-Y9 PolarHBondContact O-N 2.96Å; Y9-R13 VanDerWaalsContact CE1-CZ 3.46Å; Y9-R13 PolarHBondContact OH-NH2 3.13Å
10Y51.2Low51.8Low155 Ų155128.4 Ų128.461%0.60867%0.667SS**Hα-helixtrans-68.2-38.9175-74.8-82.9000112.2M12 R13 D14Y10-M12 VanDerWaalsContact C-N 3.33Å; Y10-M12 PolarHBondContact O-N 3.35Å; Y10-R13 PolarHBondContact O-N 2.95Å; Y10-R13 VanDerWaalsContact O-N 3.14Å; Y10-D14 PolarHBondContact O-N 2.82Å; Y10-D14 VanDerWaalsContact O-N 3.08Å
11K52.3Low52Low162 Ų162126.6 Ų126.670%0.70466%0.661SS**Hα-helixtrans-63.6-34.8-177.1-146.5174.3-172.1-179.80113.1S8 A15S8-K11 PolarHBondContact O-N 2.79Å; K11-A15 WeakPolarHBondContact O-CB 3.42Å; K11-A15 PolarHBondContact O-N 3.47Å; K11-A15 VanDerWaalsContact O-N 3.13Å
12M55.5Low52.3Low129 Ų129120.9 Ų120.964%0.63563%0.632SS**Hα-helixtrans-72.1-36.1173.6-75.2-143.8-6700113.5S8 Y10 A15 T16S8-M12 PolarHBondContact O-N 3.17Å; Y10-M12 VanDerWaalsContact C-N 3.33Å; Y10-M12 PolarHBondContact O-N 3.35Å; M12-A15 PolarHBondContact O-N 3.5Å; M12-T16 WeakPolarHBondContact O-CB 3.42Å; M12-T16 PolarHBondContact O-N 3.2Å; M12-T16 PolarHBondContact O-OG1 3.36Å
13R56.8Low53Low148 Ų148117.8 Ų117.856%0.55861%0.613SS**Hα-helixtrans-64.5-42.2175.4-76.7-173.8174.8-175.7-0.2111.7Y9 Y10 T16 R17Y9-R13 VanDerWaalsContact CE1-CZ 3.46Å; Y9-R13 PolarHBondContact OH-NH2 3.13Å; Y10-R13 PolarHBondContact O-N 2.95Å; Y10-R13 VanDerWaalsContact O-N 3.14Å; R13-T16 PolarHBondContact O-N 2.97Å; R13-R17 WeakPolarHBondContact O-CB 3.48Å; R13-R17 PolarHBondContact O-N 3.37Å
14D56.3Low53.2Low103 Ų103116.7 Ų116.755%0.55161%0.608SS**Hα-helixtrans-68.4-39.2176.2-82-27.8000112.9Y10 T16 R17 A18Y10-D14 PolarHBondContact O-N 2.82Å; Y10-D14 VanDerWaalsContact O-N 3.08Å; D14-T16 VanDerWaalsContact C-N 3.3Å; D14-T16 PolarHBondContact O-N 3.07Å; D14-R17 PolarHBondContact O-N 3Å; D14-A18 VanDerWaalsContact O-CB 3.27Å; D14-A18 WeakPolarHBondContact O-CB 3.32Å; D14-A18 PolarHBondContact O-N 3.27Å
15A57Low53.6Low64 Ų64112.7 Ų112.753%0.52959%0.587SS.*Hα-helixtrans-59.6-41.1172.700000112.2K11 M12 S19K11-A15 WeakPolarHBondContact O-CB 3.42Å; K11-A15 PolarHBondContact O-N 3.47Å; K11-A15 VanDerWaalsContact O-N 3.13Å; M12-A15 PolarHBondContact O-N 3.5Å; A15-S19 WeakPolarHBondContact O-CB 3.46Å; A15-S19 PolarHBondContact O-N 3.27Å
16T58.1Low53.6Low100 Ų100113.7 Ų113.761%0.61358%0.581SS**Hα-helixtrans-68-39.5177.5-51.10000111.3M12 R13 D14 K20M12-T16 WeakPolarHBondContact O-CB 3.42Å; M12-T16 PolarHBondContact O-N 3.2Å; M12-T16 PolarHBondContact O-OG1 3.36Å; R13-T16 PolarHBondContact O-N 2.97Å; D14-T16 VanDerWaalsContact C-N 3.3Å; D14-T16 PolarHBondContact O-N 3.07Å; T16-K20 WeakPolarHBondContact O-CB 3.39Å; T16-K20 PolarHBondContact O-N 2.98Å; T16-K20 VanDerWaalsContact O-N 3.09Å
17R57Low53.9Low183 Ų183113.6 Ų113.669%0.69158%0.581SS**Hα-helixtrans-68.1-43176.7-158.8178.2-148-170.75.2111.8R13 D14 K20 V21R13-R17 WeakPolarHBondContact O-CB 3.48Å; R13-R17 PolarHBondContact O-N 3.37Å; D14-R17 PolarHBondContact O-N 3Å; R17-K20 PolarHBondContact O-N 3.14Å; R17-V21 WeakPolarHBondContact O-CG2 3.49Å; R17-V21 PolarHBondContact O-N 3.08Å
18A57.2Low54.2Low61 Ų61111.4 Ų111.450%0.50457%0.567SS.*Hα-helixtrans-61.9-45.4175.900000111.7D14 K20 V21 Q22D14-A18 VanDerWaalsContact O-CB 3.27Å; D14-A18 WeakPolarHBondContact O-CB 3.32Å; D14-A18 PolarHBondContact O-N 3.27Å; A18-K20 VanDerWaalsContact C-N 3.33Å; A18-K20 PolarHBondContact O-N 3.49Å; A18-V21 PolarHBondContact O-N 3.4Å; A18-Q22 WeakPolarHBondContact O-CB 3.47Å; A18-Q22 PolarHBondContact O-N 3.46Å
19S56.8Low54.2Low82 Ų82113.9 Ų113.957%0.57357%0.566SS**Hα-helixtrans-61.5-38.7175.3-174.40000112.6A15 Q22 S23A15-S19 WeakPolarHBondContact O-CB 3.46Å; A15-S19 PolarHBondContact O-N 3.27Å; S19-Q22 PolarHBondContact O-N 2.93Å; S19-S23 PolarHBondContact O-N 3.49Å; S19-S23 PolarHBondContact O-OG 3.2Å
20K53.3Low54.3Low161 Ų161115.5 Ų115.570%0.758%0.576SS**Hα-helixtrans-70.7-30.2175.4-163168.6-174.8175.30113.4T16 R17 A18 S23 H24T16-K20 WeakPolarHBondContact O-CB 3.39Å; T16-K20 PolarHBondContact O-N 2.98Å; T16-K20 VanDerWaalsContact O-N 3.09Å; R17-K20 PolarHBondContact O-N 3.14Å; A18-K20 VanDerWaalsContact C-N 3.33Å; A18-K20 PolarHBondContact O-N 3.49Å; K20-S23 PolarHBondContact O-OG 2.94Å; K20-H24 PolarHBondContact O-N 3.38Å
21V55.9Low54.5Low91 Ų91113.8 Ų113.855%0.55257%0.573SS**Hα-helixtrans-73.1-43.5171.6170.40000111R17 A18 S23 H24 L25R17-V21 WeakPolarHBondContact O-CG2 3.49Å; R17-V21 PolarHBondContact O-N 3.08Å; A18-V21 PolarHBondContact O-N 3.4Å; V21-S23 PolarHBondContact O-N 3.08Å; V21-H24 PolarHBondContact O-N 2.97Å; V21-L25 WeakPolarHBondContact O-CB 3.38Å; V21-L25 PolarHBondContact O-N 3.12Å
22Q49.3Very low54.6Low114 Ų114112.4 Ų112.453%0.53357%0.573SS.*Hα-helixtrans-58.2-49178.1-168.975.81.700111.5A18 S19 H24 L25 E26A18-Q22 WeakPolarHBondContact O-CB 3.47Å; A18-Q22 PolarHBondContact O-N 3.46Å; S19-Q22 PolarHBondContact O-N 2.93Å; Q22-H24 VanDerWaalsContact C-N 3.35Å; Q22-H24 PolarHBondContact O-N 3.41Å; Q22-L25 WeakPolarHBondContact O-CA 3.28Å; Q22-L25 WeakPolarHBondContact O-CB 3.34Å; Q22-L25 PolarHBondContact O-N 3.33Å; Q22-L25 VanDerWaalsContact O-N 3.08Å; Q22-E26 PolarHBondContact O-N 3.42Å
23S55.1Low54.5Low50 Ų50112.4 Ų112.435%0.3557%0.571SS.*Hα-helixtrans-67-32.4178.654.20000113.1S19 K20 V21 L25 N27S19-S23 PolarHBondContact O-N 3.49Å; S19-S23 PolarHBondContact O-OG 3.2Å; K20-S23 PolarHBondContact O-OG 2.94Å; V21-S23 PolarHBondContact O-N 3.08Å; S23-L25 VanDerWaalsContact C-N 3.34Å; S23-N27 WeakPolarHBondContact O-CB 3.43Å; S23-N27 PolarHBondContact O-N 3.3Å; S23-N27 VanDerWaalsContact O-N 3.08Å; S23-N27 PolarHBondContact O-ND2 3.49Å
24H47.7Very low54.5Low137 Ų137111 Ų11163%0.63457%0.571SS**Hα-helixtrans-68.5-35.1170.7-158.5-73.2000111.6K20 V21 Q22 S28K20-H24 PolarHBondContact O-N 3.38Å; V21-H24 PolarHBondContact O-N 2.97Å; Q22-H24 VanDerWaalsContact C-N 3.35Å; Q22-H24 PolarHBondContact O-N 3.41Å; H24-S28 WeakPolarHBondContact O-CB 3.48Å; H24-S28 PolarHBondContact O-N 3.38Å; H24-S28 PolarHBondContact O-OG 3.31Å
25L57.4Low54.4Low92 Ų92108.9 Ų108.948%0.48257%0.565SS.*Hα-helixtrans-69.8-39.8176.9-147.779.5000112.2V21 Q22 S23 S28 K29V21-L25 WeakPolarHBondContact O-CB 3.38Å; V21-L25 PolarHBondContact O-N 3.12Å; Q22-L25 WeakPolarHBondContact O-CA 3.28Å; Q22-L25 WeakPolarHBondContact O-CB 3.34Å; Q22-L25 PolarHBondContact O-N 3.33Å; Q22-L25 VanDerWaalsContact O-N 3.08Å; S23-L25 VanDerWaalsContact C-N 3.34Å; L25-S28 PolarHBondContact O-N 3.15Å; L25-K29 WeakPolarHBondContact O-CG 3.43Å; L25-K29 PolarHBondContact O-N 3.13Å
26E52.9Low54.3Low115 Ų115112.4 Ų112.454%0.53757%0.57SS.*Hα-helixtrans-67.1-44.8175.4-73.4-175.6128.600112.4Q22 S28 K29 F30Q22-E26 PolarHBondContact O-N 3.42Å; E26-S28 VanDerWaalsContact C-N 3.31Å; E26-S28 PolarHBondContact O-N 3.43Å; E26-K29 PolarHBondContact O-N 2.87Å; E26-F30 PolarHBondContact O-N 3.33Å
27N52.2Low54Low119 Ų119111 Ų11164%0.63656%0.559SS**Hα-helixtrans-60.3-40.9172.3-81.3-70.3000111.9S23 F30 H31S23-N27 WeakPolarHBondContact O-CB 3.43Å; S23-N27 PolarHBondContact O-N 3.3Å; S23-N27 VanDerWaalsContact O-N 3.08Å; S23-N27 PolarHBondContact O-ND2 3.49Å; N27-F30 PolarHBondContact O-N 3.07Å; N27-H31 PolarHBondContact O-N 2.99Å
28S56.3Low53.9Low53 Ų53108 Ų10837%0.37155%0.553SS.*Hα-helixtrans-64.8-39.1176.6-55.50000112H24 L25 E26 H31 L32H24-S28 WeakPolarHBondContact O-CB 3.48Å; H24-S28 PolarHBondContact O-N 3.38Å; H24-S28 PolarHBondContact O-OG 3.31Å; L25-S28 PolarHBondContact O-N 3.15Å; E26-S28 VanDerWaalsContact C-N 3.31Å; E26-S28 PolarHBondContact O-N 3.43Å; S28-H31 PolarHBondContact O-N 3.05Å; S28-L32 WeakPolarHBondContact O-CB 3.26Å; S28-L32 PolarHBondContact O-N 3.5Å
29K51.3Low53.8Low141 Ų141108.1 Ų108.161%0.61355%0.548SS*.Hα-helixtrans-62.9-44.6174.4-79.1180-179.8-179.30111.8L25 E26 L32 H33L25-K29 WeakPolarHBondContact O-CG 3.43Å; L25-K29 PolarHBondContact O-N 3.13Å; E26-K29 PolarHBondContact O-N 2.87Å; K29-L32 PolarHBondContact O-N 3.19Å; K29-H33 WeakPolarHBondContact O-CB 3.48Å; K29-H33 PolarHBondContact O-N 3.49Å
30F50.1Low53.6Low165 Ų165108.1 Ų108.172%0.72455%0.545SS*.Hα-helixtrans-61.3-44.4176.3-106.5-84.8000112.1E26 N27 H33 Q34E26-F30 PolarHBondContact O-N 3.33Å; N27-F30 PolarHBondContact O-N 3.07Å; F30-H33 PolarHBondContact O-N 2.85Å; F30-Q34 WeakPolarHBondContact O-CB 3.31Å; F30-Q34 PolarHBondContact O-N 2.91Å
31H55.4Low53.3Low119 Ų119107.1 Ų107.155%0.55154%0.54SS*.Hα-helixtrans-66.9-41.9179.3-154.576.5000111.8N27 S28 H33 Q34 S35N27-H31 PolarHBondContact O-N 2.99Å; S28-H31 PolarHBondContact O-N 3.05Å; H31-H33 PolarHBondContact O-N 3.17Å; H31-Q34 PolarHBondContact O-N 3.14Å; H31-S35 WeakPolarHBondContact O-CB 3.44Å; H31-S35 PolarHBondContact O-N 3.34Å; H31-S35 PolarHBondContact O-OG 3.36Å
32L54.9Low53.3Low133 Ų133109.2 Ų109.270%0.69654%0.544SS*.Hα-helixtrans-62.1-43.8176.4-166.374.8000112.2S28 K29 Q34 S35 Q36S28-L32 WeakPolarHBondContact O-CB 3.26Å; S28-L32 PolarHBondContact O-N 3.5Å; K29-L32 PolarHBondContact O-N 3.19Å; L32-Q34 VanDerWaalsContact C-N 3.32Å; L32-Q34 PolarHBondContact O-N 3.47Å; L32-S35 PolarHBondContact O-N 3.45Å; L32-Q36 PolarHBondContact O-N 3.46Å
33H53.9Low53.2Low130 Ų130112.5 Ų112.560%0.60255%0.553SS**Hα-helixtrans-64.2-37.2175.8-124.980.8000111.9K29 F30 H31 N37K29-H33 WeakPolarHBondContact O-CB 3.48Å; K29-H33 PolarHBondContact O-N 3.49Å; F30-H33 PolarHBondContact O-N 2.85Å; H31-H33 PolarHBondContact O-N 3.17Å; H33-N37 PolarHBondContact O-N 3.49Å; H33-N37 PolarHBondContact O-ND2 3.34Å
34Q55.5Low53.1Low117 Ų117116.2 Ų116.255%0.54757%0.568SS.*Hα-helixtrans-69.9-42.1176.2-170.5178.583.700112F30 H31 L32 N37 Q38F30-Q34 WeakPolarHBondContact O-CB 3.31Å; F30-Q34 PolarHBondContact O-N 2.91Å; H31-Q34 PolarHBondContact O-N 3.14Å; L32-Q34 VanDerWaalsContact C-N 3.32Å; L32-Q34 PolarHBondContact O-N 3.47Å; Q34-N37 PolarHBondContact O-N 3.22Å; Q34-Q38 PolarHBondContact O-N 3.24Å
35S55.1Low53.2Low60 Ų60114.5 Ų114.542%0.4257%0.567SS.*Hα-helixtrans-64.2-39.8177.6-60.30000112.5H31 L32 N37 Q38 P39H31-S35 WeakPolarHBondContact O-CB 3.44Å; H31-S35 PolarHBondContact O-N 3.34Å; H31-S35 PolarHBondContact O-OG 3.36Å; L32-S35 PolarHBondContact O-N 3.45Å; S35-N37 PolarHBondContact O-N 3.05Å; S35-Q38 PolarHBondContact O-N 3.43Å; S35-P39 VanDerWaalsContact O-CD 3.25Å; S35-P39 WeakPolarHBondContact O-CD 3.37Å
36Q54.3Low52.8Low137 Ų137117.2 Ų117.264%0.6458%0.581SS**Hα-helixtrans-65.6-28176.3-164.4176.143.600112.5L32 V40L32-Q36 PolarHBondContact O-N 3.46Å; Q36-V40 WeakPolarHBondContact O-CG2 3.45Å
37N52.4Low52.4Low70 Ų70114.3 Ų114.337%0.37458%0.582SS.*Hα-helixtrans-84.3-14.2-179.5-87.7-82.9000114.9H33 Q34 S35 K41H33-N37 PolarHBondContact O-N 3.49Å; H33-N37 PolarHBondContact O-ND2 3.34Å; Q34-N37 PolarHBondContact O-N 3.22Å; S35-N37 PolarHBondContact O-N 3.05Å; N37-K41 WeakPolarHBondContact O-CG 3.38Å; N37-K41 PolarHBondContact O-N 2.86Å
38Q54.4Low52.2Low122 Ų122113 Ų11357%0.5758%0.583SS**Hα-helixtrans-67.8-52.7178.9-70.4-128.32100114Q34 S35 V40 K41Q34-Q38 PolarHBondContact O-N 3.24Å; S35-Q38 PolarHBondContact O-N 3.43Å; Q38-V40 PolarHBondContact O-N 3.43Å; Q38-K41 PolarHBondContact O-N 3.43Å
39P55.5Low51.7Low63 Ų63119.7 Ų119.741%0.40961%0.605SS.*Hα-helixtrans-65.7-41179.525-32.8000111.7S35 K41 Q42 Y43S35-P39 VanDerWaalsContact O-CD 3.25Å; S35-P39 WeakPolarHBondContact O-CD 3.37Å; P39-K41 VanDerWaalsContact C-N 3.29Å; P39-K41 PolarHBondContact O-N 3.4Å; P39-Q42 PolarHBondContact O-N 2.95Å; P39-Q42 VanDerWaalsContact O-N 3.09Å; P39-Y43 VanDerWaalsContact O-CD2 3.3Å; P39-Y43 WeakPolarHBondContact O-CD2 3.44Å; P39-Y43 PolarHBondContact O-N 2.97Å; P39-Y43 VanDerWaalsContact O-N 3.17Å
40V52.1Low51.3Low82 Ų82121.4 Ų121.450%0.49762%0.62SS.*Hα-helixtrans-60.1-38.7-177.7-176.40000111.7Q36 Q38 Q42 Y43 L44Q36-V40 WeakPolarHBondContact O-CG2 3.45Å; Q38-V40 PolarHBondContact O-N 3.43Å; V40-Q42 PolarHBondContact O-N 2.85Å; V40-Y43 PolarHBondContact O-N 3.15Å; V40-L44 WeakPolarHBondContact O-CB 3.48Å; V40-L44 PolarHBondContact O-N 2.94Å
41K48.2Very low50.8Low139 Ų139117.9 Ų117.960%0.60462%0.621SS**Hα-helixtrans-67.3-33.3176.9-76.2178.6179.1-176.80113.4N37 Q38 P39 T45N37-K41 WeakPolarHBondContact O-CG 3.38Å; N37-K41 PolarHBondContact O-N 2.86Å; Q38-K41 PolarHBondContact O-N 3.43Å; P39-K41 VanDerWaalsContact C-N 3.29Å; P39-K41 PolarHBondContact O-N 3.4Å; K41-T45 WeakPolarHBondContact O-CB 3.33Å; K41-T45 PolarHBondContact O-N 3.1Å; K41-T45 VanDerWaalsContact O-N 3.1Å; K41-T45 PolarHBondContact O-OG1 3.12Å
42Q54.5Low49.9Very low135 Ų135117.6 Ų117.663%0.63163%0.633SS**Hα-helixtrans-69.1-42.8175.8-69.1-177.1-1100111.4P39 V40 T45 L46P39-Q42 PolarHBondContact O-N 2.95Å; P39-Q42 VanDerWaalsContact O-N 3.09Å; V40-Q42 PolarHBondContact O-N 2.85Å; Q42-T45 PolarHBondContact O-N 3.04Å; Q42-L46 PolarHBondContact O-N 3.27Å
43Y47.6Very low48.8Very low184 Ų184117 Ų11772%0.72264%0.639SS**Hα-helixtrans-67-39.6175.6-75.7-73.8000113.2P39 V40 T45 L46P39-Y43 VanDerWaalsContact O-CD2 3.3Å; P39-Y43 WeakPolarHBondContact O-CD2 3.44Å; P39-Y43 PolarHBondContact O-N 2.97Å; P39-Y43 VanDerWaalsContact O-N 3.17Å; V40-Y43 PolarHBondContact O-N 3.15Å; Y43-T45 VanDerWaalsContact C-N 3.33Å; Y43-T45 PolarHBondContact O-N 2.89Å; Y43-L46 PolarHBondContact O-N 3.09Å
44L53.8Low47.7Very low127 Ų127117.9 Ų117.967%0.66565%0.654SS**Hα-helixtrans-70.1-28.9178.1-142.574.2000112.9V40 L46 G47V40-L44 WeakPolarHBondContact O-CB 3.48Å; V40-L44 PolarHBondContact O-N 2.94Å; L44-L46 VanDerWaalsContact C-N 3.33Å; L44-L46 PolarHBondContact O-N 3.45Å; L44-G47 PolarHBondContact O-N 3.15Å
45T49.4Very low46.5Very low102 Ų102116 Ų11663%0.62667%0.667SS**Hα-helixtrans-72.8-25.1179.2-58.80000112.8K41 Q42 Y43K41-T45 WeakPolarHBondContact O-CB 3.33Å; K41-T45 PolarHBondContact O-N 3.1Å; K41-T45 VanDerWaalsContact O-N 3.1Å; K41-T45 PolarHBondContact O-OG1 3.12Å; Q42-T45 PolarHBondContact O-N 3.04Å; Y43-T45 VanDerWaalsContact C-N 3.33Å; Y43-T45 PolarHBondContact O-N 2.89Å
46L49.8Very low45.4Very low148 Ų148119.2 Ų119.278%0.77569%0.689SS**Hα-helixtrans-78.5-18.4176.1-72.7166.1000113.4Q42 Y43 L44Q42-L46 PolarHBondContact O-N 3.27Å; Y43-L46 PolarHBondContact O-N 3.09Å; L44-L46 VanDerWaalsContact C-N 3.33Å; L44-L46 PolarHBondContact O-N 3.45Å
47G44.3Very low44.1Very low54 Ų54115.8 Ų115.856%0.55769%0.691SS**Hα-helixtrans-80.9-23.4176.800000115.1L44 K49L44-G47 PolarHBondContact O-N 3.15Å; G47-K49 PolarHBondContact O-N 3.5Å
48S47.4Very low43.1Very low93 Ų93121.9 Ų121.965%0.6572%0.717SS**THydrogen-bonded Turntrans-92.621.6-165.1-60.80000115.7
49K46.1Very low42Very low193 Ų193121.1 Ų121.184%0.83973%0.731SS**THydrogen-bonded Turntrans-112.610.1176.7-71.2-155.2174.6-165.20115.5G47G47-K49 PolarHBondContact O-N 3.5Å
50L42.5Very low41.2Very low177 Ų177124.7 Ų124.793%0.92775%0.752SS**SBendtrans-12915.7-178.4-82.6166.3000114.9
51A38.9Very low40.9Very low90 Ų90126.1 Ų126.174%0.74476%0.763SS**SBendtrans-136.556.5-17500000114.1
52S37.3Very low39.8Very low113 Ų113127 Ų12779%0.7977%0.769SS**  trans-171.579.6166.439.30000114.8
53S32.7Very low39.3Very low120 Ų120125.3 Ų125.384%0.83977%0.769SS**  trans-172.354.4157.747.60000116.9
54T29.5Very low38.5Very low149 Ų149124.2 Ų124.291%0.91477%0.771SS**  trans-153.2120.715352.10000109.7
55G29.8Very low37.8Very low79 Ų79122.1 Ų122.181%0.81477%0.772SS**  cis172144.6-11.300000111.1
56S31.9Very low37.5Very low126 Ų126123.6 Ų123.688%0.88178%0.783SS**  trans-161.1113.7166.151.10000112.7
57G28Very low36.6Very low66 Ų66120.2 Ų120.268%0.6878%0.784SS**  trans100.5108.8150.400000119.8
58H31.8Very low36.2Very low197 Ų197126.2 Ų126.291%0.91280%0.797SS**  trans83.3138.2141.4-6783.8000122.7
59A30.6Very low36.3Very low107 Ų107126.1 Ų126.188%0.88479%0.794SS**  trans84.9113.1161.600000120.5
60V38.1Very low35.6Very low138 Ų138124.6 Ų124.684%0.83680%0.795SS**  trans-94.5160.3170.6149.80000108.2
61P45.7Very low35Very low112 Ų112120.2 Ų120.273%0.72778%0.784SS**  cis-138.6154.83121.45.3000120.9
62H26.1Very low34.6Very low157 Ų157121.6 Ų121.673%0.72778%0.784SS**  21.7152.9117.9-123.638.7000121H64H62-H64 PolarHBondContact NE2-N 3.47Å
63P44.6Very low34.6Very low99 Ų99122.3 Ų122.364%0.64378%0.783SS**  cis-153.116844.544.9-23.3000123.6
64H29.9Very low35.5Very low162 Ų162122 Ų12275%0.7578%0.778SS**  trans64.4125.3164.8-63.3-70.2000118.6H62H62-H64 PolarHBondContact NE2-N 3.47Å
65A38.3Very low35.6Very low83 Ų83123 Ų12369%0.68678%0.776SS**  cis92.7151.43500000114.3
66P43.1Very low35.8Very low132 Ų132127.4 Ų127.486%0.85778%0.777SS**  cis-132.9166.3-11.138.7-21.5000116.3
67G32.3Very low35.7Very low78 Ų78131.5 Ų131.580%0.80477%0.774SS**  trans175124.8166.700000112.8
68Q35.5Very low35.7Very low180 Ų180134.9 Ų134.984%0.84178%0.776SS**  trans-128.8177.9-164.1-74.1-101.4-5.100110.9
69P50Low35.6Very low90 Ų90129.1 Ų129.158%0.58477%0.77SS**  -145.9-160.9-61.945.1-27.3000114.3
70L30.8Very low35.7Very low161 Ų161133.2 Ų133.284%0.84377%0.77SS**  trans73.9147.1163.5-98.769000117
71A29.6Very low36.1Very low86 Ų86134.6 Ų134.671%0.71177%0.77SS**  cis-163.3178.32.900000111.3
72T31.1Very low35.9Very low119 Ų119135.2 Ų135.273%0.7377%0.774SS**  cis-173.9137.7-41.9-770000110.3
73V37Very low36.3Very low127 Ų127132.2 Ų132.277%0.7778%0.776SS**  trans62.7138.6175.5-125.60000121.7
74P52.8Low36.3Very low115 Ų115133.9 Ų133.975%0.74778%0.784SS**  trans-99.6164.4164.638.7-36.2000114.2
75I31Very low36.4Very low170 Ų170131.9 Ų131.987%0.87279%0.789SS**  trans-154161.1165.9-102.7143.6000111.8
76M33.6Very low36.7Very low170 Ų170136.1 Ų136.184%0.83780%0.8SS**  trans-95.7168.9-160.1-51.6170.97200115.9
77R29.5Very low36.8Very low213 Ų213133.6 Ų133.680%0.80480%0.797SS**  118.7128.4124.7-160.7175.2178.5121.30.5118.8
78N28.6Very low36.9Very low136 Ų136135.7 Ų135.773%0.72780%0.8SS**  trans48.1110154.7-65.125000122.7
79G30.2Very low37.4Very low77 Ų77132.4 Ų132.479%0.79480%0.797SS**  62.7102.1103.900000121.8
80H31.7Very low37.3Very low192 Ų192134.2 Ų134.289%0.88981%0.809SS**  trans-155.2151.4143.4-142.573.9000110.9
81M46.9Very low38.2Very low168 Ų168134.6 Ų134.683%0.82881%0.811SS**  trans-93.2155-179.9-64.4-76.3-75.500111.8
82P41Very low38.6Very low125 Ų125134.6 Ų134.681%0.81281%0.806SS**  trans-135.4179.2140.635.6-20.7000113.9
83A35.7Very low39.3Very low94 Ų94134.6 Ų134.678%0.77781%0.809SS**  trans-96.8-176.1-15600000116.5
84V43.8Very low39.7Very low133 Ų133134.4 Ų134.481%0.80681%0.807SS**  trans-44.9149.3-175.5-61.40000117
85S31.8Very low39.6Very low121 Ų121134.5 Ų134.585%0.84681%0.806SS**  trans-156.2119.3156.9-73.30000108.9
86D43.7Very low40.4Very low172 Ų172134.1 Ų134.192%0.9281%0.805SS**  trans-73.9137.7179.3-70.7-54.1000112.1
87G46.7Very low41.1Very low78 Ų78133.9 Ų133.980%0.80481%0.806SS**  trans141.687165.900000115.3
88S33.8Very low41.5Very low122 Ų122129.3 Ų129.385%0.85380%0.802SS**  trans-152.8133.2161.7620000113.6
89S46Very low41.8Very low112 Ų112131 Ų13178%0.78381%0.808SS**  trans-62.9157.9179.6-37.10000113.9N91S89-N91 PolarHBondContact O-N 2.79Å; S89-N91 VanDerWaalsContact O-N 3.08Å
90P47.8Very low42.4Very low128 Ų128130 Ų13083%0.83180%0.797SS**SBendtrans-82.889.2-172.233.1-35.4000112.9
91N50.3Low42.6Very low168 Ų168127.8 Ų127.890%0.89879%0.792SS**  trans-163.768.2157.6-122.45.2000113.5S89S89-N91 PolarHBondContact O-N 2.79Å; S89-N91 VanDerWaalsContact O-N 3.08Å
92S37.6Very low42.6Very low87 Ų87126.5 Ų126.561%0.60878%0.783SS**  trans-158141.3169.4-168.70000110.9V94S92-V94 VanDerWaalsContact C-N 3.32Å; S92-V94 PolarHBondContact O-N 2.93Å; S92-V94 VanDerWaalsContact O-N 3.17Å
93P46.1Very low42.5Very low119 Ų119129.8 Ų129.877%0.77379%0.788SS**THydrogen-bonded Turntrans-84.816-161.334.3-38.3000116.3
94V46.2Very low43Very low122 Ų122128.9 Ų128.974%0.73979%0.788SS**THydrogen-bonded Turntrans-104-8.3-171.3-178.50000113.5S92 L96S92-V94 VanDerWaalsContact C-N 3.32Å; S92-V94 PolarHBondContact O-N 2.93Å; S92-V94 VanDerWaalsContact O-N 3.17Å; V94-L96 VanDerWaalsContact C-N 3.31Å; V94-L96 PolarHBondContact O-N 3.45Å
95T50.5Low42.9Very low117 Ų117130.5 Ų130.572%0.71879%0.787SS**G310 helixtrans-81.73.4-174.1-17.60000115.4L97T95-L97 VanDerWaalsContact C-N 3.33Å; T95-L97 PolarHBondContact O-N 3.33Å
96L46.4Very low43.9Very low162 Ų162133.8 Ų133.885%0.84879%0.786SS**G310 helixtrans-81.82.2-173.4-77.1175000115.6V94V94-L96 VanDerWaalsContact C-N 3.31Å; V94-L96 PolarHBondContact O-N 3.45Å
97L49.3Very low44.8Very low165 Ų165127.8 Ų127.886%0.86476%0.756SS**G310 helixtrans-120.518.6-171.3-64.2179.2000115.3T95T95-L97 VanDerWaalsContact C-N 3.33Å; T95-L97 PolarHBondContact O-N 3.33Å
98T38Very low45.5Very low118 Ų118130.3 Ų130.372%0.72475%0.749SS**SBendtrans-134.3105176.7-54.90000111.2
99M33.4Very low46.9Very low171 Ų171130 Ų13084%0.84274%0.738SS**  trans46.7124.1158.3-52.5-62.2-74.700117.7
100G42.9Very low47.8Very low56 Ų56130.9 Ų130.958%0.57773%0.73SS**  cis87.988.231.700000110.6
101N36.6Very low48.7Very low146 Ų146128.5 Ų128.578%0.78171%0.712SS**  trans-154.491.3163.9-104.419.2000105.7
102H47.9Very low49.6Very low140 Ų140124.2 Ų124.265%0.64869%0.689SS**  90.497.487.9-79.6-53.8000112.5
103E37.1Very low51Low195 Ų195125.2 Ų125.291%0.91169%0.687SS**SBendtrans-170.886.5142.4-94-46.9114.400106.1
104G46.7Very low52.2Low75 Ų75124.4 Ų124.477%0.77368%0.676SS**  trans147.450.2-171.800000114.2F106G104-F106 PolarHBondContact O-N 3.07Å; G104-F106 VanDerWaalsContact O-N 3.08Å
105E41.5Very low53.5Low166 Ų166124.2 Ų124.278%0.77667%0.67SS**  trans-71.597.9178.6-169.8169.8-142.800110.7
106F53.2Low54.2Low191 Ų191123 Ų12384%0.83866%0.659SS**  trans-109.8112.5149.3-103.8-86.8000105.8G104 M108G104-F106 PolarHBondContact O-N 3.07Å; G104-F106 VanDerWaalsContact O-N 3.08Å; F106-M108 PolarHBondContact O-N 3.11Å; F106-M108 VanDerWaalsContact O-N 3.08Å
107P63.3Low55.1Low45 Ų45119 Ų11929%0.29264%0.644SS.*  trans-64.8113.2-179.726.2-33.9000109.5D109 E110P107-D109 PolarHBondContact O-N 2.72Å; P107-E110 HydrophobicContact CB-CG 4.17Å; P107-E110 HydrophobicContact CG-CB 4.07Å; P107-E110 VanDerWaalsContact CG-CD 3.42Å; P107-E110 HydrophobicContact CG-CG 3.56Å; P107-E110 WeakPolarHBondContact CG-OE2 3.23Å; P107-E110 PolarHBondContact O-N 3.18Å
108M60.6Low55.6Low132 Ų132117.4 Ų117.465%0.6564%0.636SS**Hα-helixtrans-63.8-16.3168.2-79.8-70.1-60.300111.5F106 V111 I112F106-M108 PolarHBondContact O-N 3.11Å; F106-M108 VanDerWaalsContact O-N 3.08Å; M108-V111 HydrophobicContact CE-CG2 4.39Å; M108-V111 VanDerWaalsContact O-CG2 3.28Å; M108-V111 WeakPolarHBondContact O-CG2 3.4Å; M108-V111 HydrophobicContact SD-CG2 3.98Å; M108-I112 WeakPolarHBondContact O-CD1 3.33Å; M108-I112 VanDerWaalsContact O-CG1 3.26Å; M108-I112 WeakPolarHBondContact O-CG1 3.45Å; M108-I112 PolarHBondContact O-N 3.19Å
109D63.3Low56.4Low115 Ų115119.1 Ų119.162%0.61564%0.636SS**Hα-helixtrans-70.6-37.3176.4-53.1-46.2000111.9P107 V111 I112 D113P107-D109 PolarHBondContact O-N 2.72Å; D109-V111 PolarHBondContact O-N 2.81Å; D109-I112 PolarHBondContact O-N 3.27Å; D109-I112 VanDerWaalsContact O-N 3.15Å; D109-D113 PolarHBondContact O-N 2.9Å; D109-D113 VanDerWaalsContact O-N 3.07Å
110E64.3Low57.3Low131 Ų131115.5 Ų115.561%0.61263%0.627SS**Hα-helixtrans-62.4-41.4175.4-75.8-176.4165.600112P107 I112 D113 D114P107-E110 HydrophobicContact CB-CG 4.17Å; P107-E110 HydrophobicContact CG-CB 4.07Å; P107-E110 VanDerWaalsContact CG-CD 3.42Å; P107-E110 HydrophobicContact CG-CG 3.56Å; P107-E110 WeakPolarHBondContact CG-OE2 3.23Å; P107-E110 PolarHBondContact O-N 3.18Å; E110-I112 VanDerWaalsContact C-N 3.29Å; E110-I112 PolarHBondContact O-N 3.41Å; E110-D113 PolarHBondContact O-N 2.94Å; E110-D114 PolarHBondContact O-N 2.99Å
111V67.7Low57.6Low77 Ų77116 Ų11647%0.46763%0.633SS.*Hα-helixtrans-75.5-14.9177.5-80.10000113.7M108 D109 L115M108-V111 HydrophobicContact CE-CG2 4.39Å; M108-V111 VanDerWaalsContact O-CG2 3.28Å; M108-V111 WeakPolarHBondContact O-CG2 3.4Å; M108-V111 HydrophobicContact SD-CG2 3.98Å; D109-V111 PolarHBondContact O-N 2.81Å; V111-L115 VanDerWaalsContact O-CB 3.26Å; V111-L115 WeakPolarHBondContact O-CB 3.47Å; V111-L115 PolarHBondContact O-N 3.33Å
112I69.6Low58Low79 Ų79118 Ų11841%0.40564%0.635SS.*Hα-helixtrans-79.1-43.8170.7-71.7165000109.9M108 D109 E110 L115 I116M108-I112 WeakPolarHBondContact O-CD1 3.33Å; M108-I112 VanDerWaalsContact O-CG1 3.26Å; M108-I112 WeakPolarHBondContact O-CG1 3.45Å; M108-I112 PolarHBondContact O-N 3.19Å; D109-I112 PolarHBondContact O-N 3.27Å; D109-I112 VanDerWaalsContact O-N 3.15Å; E110-I112 VanDerWaalsContact C-N 3.29Å; E110-I112 PolarHBondContact O-N 3.41Å; I112-L115 PolarHBondContact O-N 3.48Å; I112-I116 HydrophobicContact CG2-CD1 3.81Å; I112-I116 WeakPolarHBondContact O-CG1 3.4Å; I112-I116 PolarHBondContact O-N 3.42Å
113D66.1Low58.1Low107 Ų107118.8 Ų118.857%0.57264%0.644SS**Hα-helixtrans-65.3-38.8175.3-78.9-17.5000112.3D109 E110 L115 S117D109-D113 PolarHBondContact O-N 2.9Å; D109-D113 VanDerWaalsContact O-N 3.07Å; E110-D113 PolarHBondContact O-N 2.94Å; D113-L115 VanDerWaalsContact C-N 3.35Å; D113-S117 VanDerWaalsContact O-CB 3.24Å; D113-S117 WeakPolarHBondContact O-CB 3.33Å; D113-S117 PolarHBondContact O-N 2.93Å; D113-S117 PolarHBondContact O-OG 3.27Å
114D71.1Confident58.7Low102 Ų102117.5 Ų117.555%0.54564%0.643SS.*Hα-helixtrans-61.6-40.8170.6-90-13.8000111.7E110 S117 L118E110-D114 PolarHBondContact O-N 2.99Å; D114-S117 PolarHBondContact O-N 3.22Å; D114-L118 WeakPolarHBondContact O-CB 3.48Å; D114-L118 WeakPolarHBondContact O-CD1 3.44Å; D114-L118 WeakPolarHBondContact O-CG 3.45Å; D114-L118 PolarHBondContact O-N 3.07Å
115L74.4Confident58.9Low118 Ų118117.6 Ų117.662%0.61864%0.644SS**Hα-helixtrans-67.5-42.3-179.4-173.766.3000111.8V111 I112 D113 L118 E119V111-L115 VanDerWaalsContact O-CB 3.26Å; V111-L115 WeakPolarHBondContact O-CB 3.47Å; V111-L115 PolarHBondContact O-N 3.33Å; I112-L115 PolarHBondContact O-N 3.48Å; D113-L115 VanDerWaalsContact C-N 3.35Å; L115-L118 PolarHBondContact O-N 3.35Å; L115-E119 PolarHBondContact O-N 3.42Å
116I64.5Low59Low92 Ų92113.1 Ų113.147%0.47264%0.642SS.*Hα-helixtrans-68.7-35.6176.2-66.3167000111I112 E119 S120I112-I116 HydrophobicContact CG2-CD1 3.81Å; I112-I116 WeakPolarHBondContact O-CG1 3.4Å; I112-I116 PolarHBondContact O-N 3.42Å; I116-E119 PolarHBondContact O-N 3.49Å; I116-S120 PolarHBondContact O-N 3.08Å; I116-S120 VanDerWaalsContact O-N 3.11Å; I116-S120 PolarHBondContact O-OG 2.85Å; I116-S120 VanDerWaalsContact O-OG 3.08Å
117S66.6Low58.7Low78 Ų78112 Ų11255%0.54564%0.644SS.*Hα-helixtrans-66.9-37.3173.6-62.20000112.4D113 D114 S120 G121D113-S117 VanDerWaalsContact O-CB 3.24Å; D113-S117 WeakPolarHBondContact O-CB 3.33Å; D113-S117 PolarHBondContact O-N 2.93Å; D113-S117 PolarHBondContact O-OG 3.27Å; D114-S117 PolarHBondContact O-N 3.22Å; S117-S120 PolarHBondContact O-N 3.08Å; S117-G121 PolarHBondContact O-N 3.46Å
118L59.5Low57.5Low132 Ų132118 Ų11869%0.69167%0.674SS**Hα-helixtrans-70.5-32.8175.4-74.1166.4000112.7D114 L115 G121D114-L118 WeakPolarHBondContact O-CB 3.48Å; D114-L118 WeakPolarHBondContact O-CD1 3.44Å; D114-L118 WeakPolarHBondContact O-CG 3.45Å; D114-L118 PolarHBondContact O-N 3.07Å; L115-L118 PolarHBondContact O-N 3.35Å; L118-G121 PolarHBondContact O-N 2.98Å
119E54.4Low56.6Low153 Ų153115.7 Ų115.772%0.71567%0.67SS**Hα-helixtrans-71.5-33.2174.6-169.1160.8-149.300112.1L115 I116 G121L115-E119 PolarHBondContact O-N 3.42Å; I116-E119 PolarHBondContact O-N 3.49Å; E119-G121 PolarHBondContact O-N 3.47Å
120S52.7Low55.9Low95 Ų95118.1 Ų118.166%0.66468%0.68SS**THydrogen-bonded Turntrans-71.1-14.8174-600000114.1I116 S117I116-S120 PolarHBondContact O-N 3.08Å; I116-S120 VanDerWaalsContact O-N 3.11Å; I116-S120 PolarHBondContact O-OG 2.85Å; I116-S120 VanDerWaalsContact O-OG 3.08Å; S117-S120 PolarHBondContact O-N 3.08Å
121G48.4Very low54.7Low68 Ų68121 Ų12170%0.70169%0.693SS**THydrogen-bonded Turntrans-87.3-0.2-177.600000116.1S117 L118 E119S117-G121 PolarHBondContact O-N 3.46Å; L118-G121 PolarHBondContact O-N 2.98Å; E119-G121 PolarHBondContact O-N 3.47Å
122F45.8Very low53.9Low188 Ų188122.2 Ų122.283%0.82570%0.702SS**SBendtrans-1146.9-171.5-162.2-104.4000115.2
123N50Low52.4Low155 Ų155125.7 Ų125.783%0.82972%0.722SS**SBendtrans-123.536.2-168-144.418000116.2
124D49.3Very low51.3Low169 Ų169128 Ų12890%0.90473%0.732SS**SBendtrans-144.7137.2156.5-167.120.9000111.6
125G51.1Low49.9Very low77 Ų77130.6 Ų130.679%0.79475%0.745SS**SBendtrans86.940.1175.400000117.6
126G43.8Very low48.5Very low71 Ų71133 Ų13373%0.73276%0.755SS**  trans-131.781.6-175.300000116.8
127L45.4Very low47.1Very low167 Ų167137.9 Ų137.987%0.87478%0.776SS**  trans51.491.5155-64.8164.1000117.7
128D38.9Very low45.5Very low172 Ų172138.5 Ų138.592%0.9278%0.78SS**  trans-108.8113.5152.2-154.36.3000108.9
129C41.8Very low44.6Very low84 Ų84139 Ų13957%0.56878%0.784SS**  trans-124.9132.1179.661.80000110.6
130M49.4Very low44.2Very low166 Ų166138.1 Ų138.182%0.81879%0.788SS**  trans89101.8177.5-41.5-43.2166.800116.1
131E38.7Very low43.7Very low191 Ų191139.5 Ų139.589%0.89380%0.798SS**  -173.2167.793.4-94-142.2119.400113.1
132P51.1Low43.7Very low102 Ų102144.7 Ų144.766%0.66281%0.808SS**  trans-103.9174.4-158.439.6-36000116.4
133N38.3Very low43.9Very low152 Ų152140.7 Ų140.781%0.81380%0.804SS**  trans71113.3-177.6-78.6-50.7000116.3
134I41.4Very low43.7Very low156 Ų156140 Ų14080%0.880%0.8SS**  -158.6119.899.8-69-148.9000110.1
135I43.1Very low44Very low157 Ų157137.4 Ų137.481%0.80580%0.795SS**  trans31.6133.7142.2-52.4175.2000121.6
136M43.9Very low44Very low169 Ų169141.8 Ų141.883%0.83380%0.797SS**  trans-48.7140.7177.5-60.317360.300119.3
137Q36.2Very low44.2Very low194 Ų194145.8 Ų145.891%0.90780%0.801SS**  trans172.3150.5135.3-97.1163.767.900108.7
138S32.8Very low44.4Very low91 Ų91143.3 Ų143.364%0.63679%0.789SS**  cis-161.1133.6-18.7-177.30000108.7
139N39Very low45.1Very low143 Ų143139 Ų13977%0.76577%0.768SS**  trans54.2133.5153.1-60.8-2.2000123.4
140V46.3Very low45.6Very low133 Ų133144.6 Ų144.681%0.80678%0.779SS**  trans6292.6149.3-610000121.1
141S42.4Very low45.7Very low124 Ų124138.5 Ų138.587%0.86776%0.758SS**  trans-152.369.1130.8-81.50000111S143S141-S143 VanDerWaalsContact C-N 3.26Å; S141-S143 PolarHBondContact O-N 3.3Å
142L48.5Very low46.5Very low177 Ų177130.9 Ų130.993%0.92773%0.731SS**  trans-79.572.2169-73.6172.5000110.3
143S49.6Very low46.6Very low104 Ų104132.5 Ų132.573%0.72773%0.73SS**  trans-164.596.1166.9-80.20000109.9S141S141-S143 VanDerWaalsContact C-N 3.26Å; S141-S143 PolarHBondContact O-N 3.3Å
144N47Very low47.5Very low142 Ų142132.2 Ų132.276%0.75972%0.723SS**SBendtrans177.1-27.4156.7-93.8-1.8000110.6M146N144-M146 VanDerWaalsContact C-N 3.28Å; N144-M146 PolarHBondContact O-N 3.07Å
145S55.1Low48.5Very low113 Ų113130 Ų13079%0.7971%0.71SS**THydrogen-bonded Turntrans-75.926.4-169.1-167.10000117.6
146M50.3Low49.8Very low170 Ų170127.9 Ų127.984%0.83770%0.696SS**THydrogen-bonded Turntrans-131.2-13.7177.1-158.6-178.4-78.800114.8N144N144-M146 VanDerWaalsContact C-N 3.28Å; N144-M146 PolarHBondContact O-N 3.07Å
147L49.3Very low51.2Low154 Ų154124.4 Ų124.481%0.80668%0.681SS**THydrogen-bonded Turntrans-96.8-33.1175.6-151.271.4000112.5V149L147-V149 PolarHBondContact O-N 3.17Å
148D48.5Very low53.2Low116 Ų116119.4 Ų119.462%0.6266%0.664SS**Hα-helixtrans-67.4-19.8178.4-80.8-19.6000114.2Y150 G151 G152D148-Y150 PolarHBondContact O-N 3.4Å; D148-G151 PolarHBondContact O-N 2.8Å; D148-G152 WeakPolarHBondContact O-CA 3.4Å; D148-G152 PolarHBondContact O-N 2.89Å
149V54.2Low55.5Low82 Ų82121.7 Ų121.750%0.49766%0.658SS.*Hα-helixtrans-65.3-26.5-178.2179.20000112.4L147L147-V149 PolarHBondContact O-N 3.17Å
150Y52.2Low57.6Low201 Ų201118.1 Ų118.179%0.78864%0.642SS**Hα-helixtrans-106.9-20.6177.7-78.9-82.1000114.2D148D148-Y150 PolarHBondContact O-N 3.4Å
151G52.5Low59.2Low37 Ų37117.7 Ų117.738%0.38163%0.632SS.*Hα-helixtrans-84.9-41.2173.600000113.2D148 E153 Q154 E155D148-G151 PolarHBondContact O-N 2.8Å; G151-E153 PolarHBondContact O-N 2.96Å; G151-Q154 PolarHBondContact O-N 3.12Å; G151-E155 PolarHBondContact O-N 3.15Å; G151-E155 VanDerWaalsContact O-N 3.1Å
152G54.3Low61.3Low31 Ų31114.5 Ų114.532%0.3261%0.613SS.*Hα-helixtrans-64.7-38.2-174.200000113.9D148 E155 H156D148-G152 WeakPolarHBondContact O-CA 3.4Å; D148-G152 PolarHBondContact O-N 2.89Å; G152-E155 PolarHBondContact O-N 3.46Å; G152-H156 WeakPolarHBondContact O-CB 3.49Å; G152-H156 PolarHBondContact O-N 3.3Å
153E53.5Low63.4Low137 Ų137113.1 Ų113.164%0.6460%0.6SS**Hα-helixtrans-65-42.8177-65.9-165.3150.300111.7G151 E155 H156 D157G151-E153 PolarHBondContact O-N 2.96Å; E153-E155 PolarHBondContact O-N 3.17Å; E153-H156 PolarHBondContact O-N 3.37Å; E153-D157 WeakPolarHBondContact O-CB 3.49Å; E153-D157 PolarHBondContact O-N 3.39Å
154Q57.9Low65.4Low145 Ų145114.2 Ų114.268%0.67859%0.594SS**Hα-helixtrans-68.5-36.1179.1-168169.736.700112.3G151 T158G151-Q154 PolarHBondContact O-N 3.12Å; Q154-T158 WeakPolarHBondContact O-CB 3.48Å; Q154-T158 WeakPolarHBondContact O-CG2 3.4Å; Q154-T158 PolarHBondContact O-N 3.34Å; Q154-T158 VanDerWaalsContact O-N 3.11Å; Q154-T158 PolarHBondContact O-OG1 3.25Å
155E61.8Low67.7Low111 Ų111116 Ų11652%0.51959%0.59SS.*Hα-helixtrans-74.3-28.5171.7-66.3-164167.600113.5G151 G152 E153 T158 R159G151-E155 PolarHBondContact O-N 3.15Å; G151-E155 VanDerWaalsContact O-N 3.1Å; G152-E155 PolarHBondContact O-N 3.46Å; E153-E155 PolarHBondContact O-N 3.17Å; E155-T158 VanDerWaalsContact CA-OG1 3.25Å; E155-T158 WeakPolarHBondContact CA-OG1 3.34Å; E155-T158 PolarHBondContact O-OG1 2.88Å; E155-R159 WeakPolarHBondContact O-CB 3.32Å; E155-R159 VanDerWaalsContact O-CG 3.27Å; E155-R159 WeakPolarHBondContact O-CG 3.48Å; E155-R159 PolarHBondContact O-N 3.2Å; E155-R159 VanDerWaalsContact O-N 3.16Å; E155-R159 PolarHBondContact O-NE 3.43Å; E155-R159 IonicContact OE2-CZ 2.72Å; E155-R159 IonicContact OE2-NH1 3.71Å; E155-R159 IonicContact OE2-NH2 2.94Å; E155-R159 PolarHBondContact OE2-NH2 3.49Å
156H70.6Confident69.6Low111 Ų111117.1 Ų117.151%0.51458%0.582SS.*Hα-helixtrans-70.2-49.6174.9178.2-89.6000110.1G152 E153 T158 R159 V160G152-H156 WeakPolarHBondContact O-CB 3.49Å; G152-H156 PolarHBondContact O-N 3.3Å; E153-H156 PolarHBondContact O-N 3.37Å; H156-T158 PolarHBondContact O-N 3.08Å; H156-R159 CarbonylContact O-C 3.55Å; H156-R159 WeakPolarHBondContact O-CA 3.42Å; H156-R159 WeakPolarHBondContact O-CB 3.42Å; H156-R159 PolarHBondContact O-N 2.96Å; H156-R159 VanDerWaalsContact O-N 3.1Å; H156-V160 WeakPolarHBondContact O-CG2 3.5Å; H156-V160 PolarHBondContact O-N 3.36Å
157D72.8Confident71.8Confident97 Ų97116.8 Ų116.852%0.51958%0.576SS.*Hα-helixtrans-63.3-39.2178.6-79-0.8000112.2E153 R159 V160 M161E153-D157 WeakPolarHBondContact O-CB 3.49Å; E153-D157 PolarHBondContact O-N 3.39Å; D157-R159 PolarHBondContact O-N 2.85Å; D157-V160 PolarHBondContact O-N 2.96Å; D157-M161 WeakPolarHBondContact O-CB 3.45Å; D157-M161 WeakPolarHBondContact O-CG 3.37Å; D157-M161 PolarHBondContact O-N 3.47Å
158T79.1Confident74Confident88 Ų88116 Ų11654%0.5457%0.566SS.*Hα-helixtrans-65.1-37.217346.10000112.4Q154 E155 H156 A162Q154-T158 WeakPolarHBondContact O-CB 3.48Å; Q154-T158 WeakPolarHBondContact O-CG2 3.4Å; Q154-T158 PolarHBondContact O-N 3.34Å; Q154-T158 VanDerWaalsContact O-N 3.11Å; Q154-T158 PolarHBondContact O-OG1 3.25Å; E155-T158 VanDerWaalsContact CA-OG1 3.25Å; E155-T158 WeakPolarHBondContact CA-OG1 3.34Å; E155-T158 PolarHBondContact O-OG1 2.88Å; H156-T158 PolarHBondContact O-N 3.08Å; T158-A162 WeakPolarHBondContact O-CB 3.28Å; T158-A162 PolarHBondContact O-N 3.13Å
159R81.6Confident76.3Confident139 Ų139114.2 Ų114.253%0.52556%0.557SS.*Hα-helixtrans-67.2-37.6172-78.4178.4-83.8-143-4112.7E155 H156 D157 K163E155-R159 WeakPolarHBondContact O-CB 3.32Å; E155-R159 VanDerWaalsContact O-CG 3.27Å; E155-R159 WeakPolarHBondContact O-CG 3.48Å; E155-R159 PolarHBondContact O-N 3.2Å; E155-R159 VanDerWaalsContact O-N 3.16Å; E155-R159 PolarHBondContact O-NE 3.43Å; E155-R159 IonicContact OE2-CZ 2.72Å; E155-R159 IonicContact OE2-NH1 3.71Å; E155-R159 IonicContact OE2-NH2 2.94Å; E155-R159 PolarHBondContact OE2-NH2 3.49Å; H156-R159 CarbonylContact O-C 3.55Å; H156-R159 WeakPolarHBondContact O-CA 3.42Å; H156-R159 WeakPolarHBondContact O-CB 3.42Å; H156-R159 PolarHBondContact O-N 2.96Å; H156-R159 VanDerWaalsContact O-N 3.1Å; D157-R159 PolarHBondContact O-N 2.85Å; R159-K163 WeakPolarHBondContact O-CG 3.24Å; R159-K163 PolarHBondContact O-N 3.44Å; R159-K163 VanDerWaalsContact O-N 3.08Å
160V82Confident78.3Confident68 Ų68114.7 Ų114.741%0.41256%0.557SS.*Hα-helixtrans-66.6-47.1174.7170.40000110.9H156 D157 A162 K163 E164H156-V160 WeakPolarHBondContact O-CG2 3.5Å; H156-V160 PolarHBondContact O-N 3.36Å; D157-V160 PolarHBondContact O-N 2.96Å; V160-A162 VanDerWaalsContact C-N 3.3Å; V160-A162 PolarHBondContact O-N 3.19Å; V160-K163 PolarHBondContact O-N 3.49Å; V160-K163 VanDerWaalsContact O-N 3.15Å; V160-E164 PolarHBondContact O-N 3.18Å
161M81.1Confident80.5Confident124 Ų124110.9 Ų110.961%0.61155%0.546SS*.Hα-helixtrans-61.9-35.8176.5-70.1-75-78.400112.3D157 E164 R165D157-M161 WeakPolarHBondContact O-CB 3.45Å; D157-M161 WeakPolarHBondContact O-CG 3.37Å; D157-M161 PolarHBondContact O-N 3.47Å; M161-E164 PolarHBondContact O-N 3.31Å; M161-R165 WeakPolarHBondContact O-CB 3.24Å; M161-R165 PolarHBondContact O-N 2.97Å
162A86.1Confident82.7Confident57 Ų57112.4 Ų112.447%0.47155%0.545SS..Hα-helixtrans-65.4-44.3172.800000112.1T158 V160 R165 Q166T158-A162 WeakPolarHBondContact O-CB 3.28Å; T158-A162 PolarHBondContact O-N 3.13Å; V160-A162 VanDerWaalsContact C-N 3.3Å; V160-A162 PolarHBondContact O-N 3.19Å; A162-R165 PolarHBondContact O-N 3.32Å; A162-Q166 PolarHBondContact O-N 3.43Å
163K92.3Very high84.8Confident149 Ų149115.9 Ų115.965%0.64856%0.556SS**Hα-helixtrans-64.4-37.7174.8-73176.2179-177.80112.2R159 V160 Q166 K167R159-K163 WeakPolarHBondContact O-CG 3.24Å; R159-K163 PolarHBondContact O-N 3.44Å; R159-K163 VanDerWaalsContact O-N 3.08Å; V160-K163 PolarHBondContact O-N 3.49Å; V160-K163 VanDerWaalsContact O-N 3.15Å; K163-Q166 PolarHBondContact O-N 3.29Å; K163-K167 WeakPolarHBondContact O-CB 3.4Å; K163-K167 PolarHBondContact O-N 3.11Å
164E92Very high86.9Confident126 Ų126114.3 Ų114.359%0.58955%0.551SS**Hα-helixtrans-63.9-46174.2-170.8-175.1-171.800111.6V160 M161 Q166 K167 K168V160-E164 PolarHBondContact O-N 3.18Å; M161-E164 PolarHBondContact O-N 3.31Å; E164-Q166 PolarHBondContact O-N 3.17Å; E164-K167 PolarHBondContact O-N 3.09Å; E164-K168 WeakPolarHBondContact O-CB 3.46Å; E164-K168 PolarHBondContact O-N 2.95Å
165R95Very high88.8Confident179 Ų179109.2 Ų109.268%0.67553%0.527SS*.Hα-helixtrans-57.2-48.2173.1174.4-177.8-86.1-102.68.9111.2M161 A162 K167 K168 D169M161-R165 WeakPolarHBondContact O-CB 3.24Å; M161-R165 PolarHBondContact O-N 2.97Å; A162-R165 PolarHBondContact O-N 3.32Å; R165-K167 VanDerWaalsContact C-N 3.34Å; R165-K167 PolarHBondContact O-N 2.82Å; R165-K168 WeakPolarHBondContact O-CB 3.49Å; R165-K168 PolarHBondContact O-N 3.31Å; R165-K168 VanDerWaalsContact O-N 3.16Å; R165-D169 WeakPolarHBondContact CG-OD2 3.44Å; R165-D169 PolarHBondContact O-N 3.4Å
166Q94.4Very high90.6Very high137 Ų137110.1 Ų110.164%0.6453%0.526SS*.Hα-helixtrans-59.8-42.6178.3-170.4-176.514.800111.9A162 K163 E164 K168 D169 N170A162-Q166 PolarHBondContact O-N 3.43Å; K163-Q166 PolarHBondContact O-N 3.29Å; E164-Q166 PolarHBondContact O-N 3.17Å; Q166-K168 PolarHBondContact O-N 3.44Å; Q166-D169 PolarHBondContact O-N 3.17Å; Q166-N170 VanDerWaalsContact O-CB 3.31Å; Q166-N170 WeakPolarHBondContact O-CB 3.22Å; Q166-N170 PolarHBondContact O-N 3.36Å
167K95.6Very high91.9Very high164 Ų164114.7 Ų114.771%0.71354%0.538SS*.Hα-helixtrans-62.4-40.6175.4-175178.2-179.7179.50112K163 E164 R165 H171K163-K167 WeakPolarHBondContact O-CB 3.4Å; K163-K167 PolarHBondContact O-N 3.11Å; E164-K167 PolarHBondContact O-N 3.09Å; R165-K167 VanDerWaalsContact C-N 3.34Å; R165-K167 PolarHBondContact O-N 2.82Å; K167-H171 WeakPolarHBondContact O-CB 3.2Å; K167-H171 PolarHBondContact O-N 2.89Å
168K96.4Very high93.2Very high137 Ų137116.8 Ų116.860%0.59654%0.539SS*.Hα-helixtrans-65.2-43.2174.9-178.7177.8179.2176.10111.9E164 R165 Q166 H171 N172E164-K168 WeakPolarHBondContact O-CB 3.46Å; E164-K168 PolarHBondContact O-N 2.95Å; R165-K168 WeakPolarHBondContact O-CB 3.49Å; R165-K168 PolarHBondContact O-N 3.31Å; R165-K168 VanDerWaalsContact O-N 3.16Å; Q166-K168 PolarHBondContact O-N 3.44Å; K168-H171 PolarHBondContact O-N 3.12Å; K168-N172 WeakPolarHBondContact O-CB 3.44Å; K168-N172 PolarHBondContact O-N 3.46Å; K168-N172 PolarHBondContact O-ND2 3.25Å; K168-N172 VanDerWaalsContact O-ND2 3.14Å
169D96.2Very high94.1Very high79 Ų79119.4 Ų119.442%0.42254%0.539SS..Hα-helixtrans-70.7-35.4179.6-69.6-28.5000112.2R165 Q166 N172 L173R165-D169 WeakPolarHBondContact CG-OD2 3.44Å; R165-D169 PolarHBondContact O-N 3.4Å; Q166-D169 PolarHBondContact O-N 3.17Å; D169-N172 WeakPolarHBondContact O-CB 3.48Å; D169-N172 PolarHBondContact O-N 3.07Å; D169-L173 WeakPolarHBondContact O-CB 3.49Å; D169-L173 PolarHBondContact O-N 3.27Å
170N97.6Very high94.9Very high91 Ų91119.9 Ų119.949%0.48754%0.542SS..Hα-helixtrans-62.5-47.3169.3-176.7-84.1000111.8Q166 N172 L173 I174Q166-N170 VanDerWaalsContact O-CB 3.31Å; Q166-N170 WeakPolarHBondContact O-CB 3.22Å; Q166-N170 PolarHBondContact O-N 3.36Å; N170-N172 VanDerWaalsContact C-N 3.34Å; N170-N172 PolarHBondContact O-N 3.04Å; N170-L173 WeakPolarHBondContact O-CB 3.21Å; N170-L173 PolarHBondContact O-N 3.42Å; N170-L173 VanDerWaalsContact O-N 3.16Å; N170-I174 WeakPolarHBondContact O-CG1 3.47Å; N170-I174 PolarHBondContact O-N 2.83Å; N170-I174 WeakPolarHBondContact OD1-CD1 3.42Å
171H98.1Very high95.7Very high121 Ų121121.1 Ų121.156%0.5655%0.546SS*.Hα-helixtrans-58.5-44.2173.9176.876.2000112.1K167 K168 L173 I174 E175K167-H171 WeakPolarHBondContact O-CB 3.2Å; K167-H171 PolarHBondContact O-N 2.89Å; K168-H171 PolarHBondContact O-N 3.12Å; H171-L173 VanDerWaalsContact C-N 3.31Å; H171-L173 PolarHBondContact O-N 3.02Å; H171-I174 PolarHBondContact O-N 2.83Å; H171-E175 PolarHBondContact O-N 3.46Å
172N98.3Very high96.5Very high69 Ų69118.5 Ų118.537%0.36953%0.534SS..Hα-helixtrans-60.2-39.1175.8-72.6-31.5000112.2K168 D169 N170 R176K168-N172 WeakPolarHBondContact O-CB 3.44Å; K168-N172 PolarHBondContact O-N 3.46Å; K168-N172 PolarHBondContact O-ND2 3.25Å; K168-N172 VanDerWaalsContact O-ND2 3.14Å; D169-N172 WeakPolarHBondContact O-CB 3.48Å; D169-N172 PolarHBondContact O-N 3.07Å; N170-N172 VanDerWaalsContact C-N 3.34Å; N170-N172 PolarHBondContact O-N 3.04Å; N172-R176 WeakPolarHBondContact O-CB 3.4Å; N172-R176 PolarHBondContact O-N 2.83Å
173L98.2Very high97.1Very high104 Ų104118.1 Ų118.155%0.54552%0.524SS..Hα-helixtrans-66.4-46.6177.3-179.962.3000111.8D169 N170 H171 R176 R177D169-L173 WeakPolarHBondContact O-CB 3.49Å; D169-L173 PolarHBondContact O-N 3.27Å; N170-L173 WeakPolarHBondContact O-CB 3.21Å; N170-L173 PolarHBondContact O-N 3.42Å; N170-L173 VanDerWaalsContact O-N 3.16Å; H171-L173 VanDerWaalsContact C-N 3.31Å; H171-L173 PolarHBondContact O-N 3.02Å; L173-R176 PolarHBondContact O-N 3.26Å; L173-R177 PolarHBondContact O-N 3.43Å
174I98.1Very high97.4Very high104 Ų104117.9 Ų117.953%0.53352%0.52SS..Hα-helixtrans-60.5-48.9178-67.8169.4000110.6N170 H171 R176 R177 R178N170-I174 WeakPolarHBondContact O-CG1 3.47Å; N170-I174 PolarHBondContact O-N 2.83Å; N170-I174 WeakPolarHBondContact OD1-CD1 3.42Å; H171-I174 PolarHBondContact O-N 2.83Å; I174-R176 VanDerWaalsContact C-N 3.33Å; I174-R176 PolarHBondContact O-N 3.11Å; I174-R177 PolarHBondContact O-N 3.34Å; I174-R178 PolarHBondContact O-N 3.08Å
175E98.5Very high97.7Very high39 Ų39117.8 Ų117.818%0.18251%0.514CS..Hα-helixtrans-67.8-32.6179.2170.858.7-177.900112H171 R178 R179H171-E175 PolarHBondContact O-N 3.46Å; E175-R178 PolarHBondContact O-N 3.08Å; E175-R178 IonicContact OE1-NH1 3.84Å; E175-R178 PolarHBondContact OE1-NH1 2.88Å; E175-R178 WeakPolarHBondContact OE2-CD 3.48Å; E175-R178 IonicContact OE2-CZ 3.6Å; E175-R178 IonicContact OE2-NE 3.95Å; E175-R178 IonicContact OE2-NH1 2.79Å; E175-R178 PolarHBondContact OE2-NH1 3.38Å; E175-R179 VanDerWaalsContact CG-CZ 3.46Å; E175-R179 WeakPolarHBondContact O-CB 2.96Å; E175-R179 VanDerWaalsContact O-CG 3.25Å; E175-R179 WeakPolarHBondContact O-CG 3.47Å; E175-R179 PolarHBondContact O-N 3.27Å; E175-R179 IonicContact OE1-CZ 2.96Å; E175-R179 IonicContact OE1-NE 3.6Å; E175-R179 PolarHBondContact OE1-NE 3.28Å; E175-R179 IonicContact OE1-NH2 3.82Å; E175-R179 PolarHBondContact OE1-NH2 2.87Å
176R98.7Very high97.9Very high130 Ų130110.2 Ų110.249%0.49149%0.487SS..Hα-helixtrans-62.6-46.2170.3-177.3-176.5-67143.9-0.1111.3N172 L173 I174 R178 R179 Y180N172-R176 WeakPolarHBondContact O-CB 3.4Å; N172-R176 PolarHBondContact O-N 2.83Å; L173-R176 PolarHBondContact O-N 3.26Å; I174-R176 VanDerWaalsContact C-N 3.33Å; I174-R176 PolarHBondContact O-N 3.11Å; R176-R178 PolarHBondContact O-N 2.72Å; R176-R179 PolarHBondContact O-N 3.24Å; R176-Y180 HydrophobicContact CG-CD2 4.03Å; R176-Y180 HydrophobicContact CG-CE1 4.44Å; R176-Y180 HydrophobicContact CG-CE2 3.39Å; R176-Y180 WeakPolarHBondContact O-CD2 3.34Å; R176-Y180 PolarHBondContact O-N 2.67Å
177R98.6Very high98Very high206 Ų206111.2 Ų111.278%0.77749%0.489SS*.Hα-helixtrans-60-44.1175.9-171.4176.8-177.1175.12.5111.5L173 I174 Y180 N181L173-R177 PolarHBondContact O-N 3.43Å; I174-R177 PolarHBondContact O-N 3.34Å; R177-Y180 PolarHBondContact O-N 2.94Å; R177-N181 PolarHBondContact O-N 2.97Å
178R98.6Very high98.1Very high141 Ų141106.5 Ų106.553%0.53247%0.47SS..Hα-helixtrans-59-47.3174.1176.2174.2165.4-84-4.7112.1I174 E175 R176 Y180 N181 I182I174-R178 PolarHBondContact O-N 3.08Å; E175-R178 PolarHBondContact O-N 3.08Å; E175-R178 IonicContact OE1-NH1 3.84Å; E175-R178 PolarHBondContact OE1-NH1 2.88Å; E175-R178 WeakPolarHBondContact OE2-CD 3.48Å; E175-R178 IonicContact OE2-CZ 3.6Å; E175-R178 IonicContact OE2-NE 3.95Å; E175-R178 IonicContact OE2-NH1 2.79Å; E175-R178 PolarHBondContact OE2-NH1 3.38Å; R176-R178 PolarHBondContact O-N 2.72Å; R178-Y180 PolarHBondContact O-N 2.94Å; R178-N181 PolarHBondContact O-N 3.08Å; R178-I182 HydrophobicContact CG-CD1 4.02Å; R178-I182 WeakPolarHBondContact O-CG1 3.46Å; R178-I182 PolarHBondContact O-N 3.49Å
179R98.6Very high98.2Very high143 Ų143102.9 Ų102.954%0.5446%0.457SS..Hα-helixtrans-60.4-41.8176.4-73.3169.7-171.5167.89.4112.3E175 R176 N183E175-R179 VanDerWaalsContact CG-CZ 3.46Å; E175-R179 WeakPolarHBondContact O-CB 2.96Å; E175-R179 VanDerWaalsContact O-CG 3.25Å; E175-R179 WeakPolarHBondContact O-CG 3.47Å; E175-R179 PolarHBondContact O-N 3.27Å; E175-R179 IonicContact OE1-CZ 2.96Å; E175-R179 IonicContact OE1-NE 3.6Å; E175-R179 PolarHBondContact OE1-NE 3.28Å; E175-R179 IonicContact OE1-NH2 3.82Å; E175-R179 PolarHBondContact OE1-NH2 2.87Å; R176-R179 PolarHBondContact O-N 3.24Å; R179-N183 WeakPolarHBondContact O-CB 3.27Å; R179-N183 PolarHBondContact O-N 3.26Å; R179-N183 PolarHBondContact O-ND2 2.73Å; R179-N183 VanDerWaalsContact O-ND2 3.14Å
180Y98.7Very high98.2Very high149 Ų14999.4 Ų99.458%0.58444%0.44SS*.Hα-helixtrans-64.6-43.2176-66.5-33.8000112.2R176 R177 R178 I182 N183 Y184R176-Y180 HydrophobicContact CG-CD2 4.03Å; R176-Y180 HydrophobicContact CG-CE1 4.44Å; R176-Y180 HydrophobicContact CG-CE2 3.39Å; R176-Y180 WeakPolarHBondContact O-CD2 3.34Å; R176-Y180 PolarHBondContact O-N 2.67Å; R177-Y180 PolarHBondContact O-N 2.94Å; R178-Y180 PolarHBondContact O-N 2.94Å; Y180-I182 PolarHBondContact O-N 2.96Å; Y180-N183 PolarHBondContact O-N 3.49Å; Y180-Y184 WeakPolarHBondContact O-CB 3.27Å; Y180-Y184 PolarHBondContact O-N 2.68Å
181N98.4Very high98.1Very high94 Ų94100.2 Ų100.250%0.50345%0.448SS..Hα-helixtrans-60.4-46.8176.8-172.9-91.1000112.2R177 R178 N183 Y184 R185R177-N181 PolarHBondContact O-N 2.97Å; R178-N181 PolarHBondContact O-N 3.08Å; N181-N183 PolarHBondContact O-N 3.08Å; N181-Y184 WeakPolarHBondContact O-CB 3.47Å; N181-Y184 PolarHBondContact O-N 2.96Å; N181-R185 PolarHBondContact O-N 3.5Å
182I98.6Very high98.1Very high69 Ų69100 Ų10035%0.35445%0.45SS..Hα-helixtrans-60.1-45.7175.4-66.4166.9000111R178 Y180 Y184 R185 I186R178-I182 HydrophobicContact CG-CD1 4.02Å; R178-I182 WeakPolarHBondContact O-CG1 3.46Å; R178-I182 PolarHBondContact O-N 3.49Å; Y180-I182 PolarHBondContact O-N 2.96Å; I182-Y184 VanDerWaalsContact C-N 3.29Å; I182-Y184 PolarHBondContact O-N 3.46Å; I182-R185 PolarHBondContact O-N 3.45Å; I182-I186 HydrophobicContact CG2-CD1 3.94Å; I182-I186 WeakPolarHBondContact O-CG1 3.35Å; I182-I186 PolarHBondContact O-N 2.94Å
183N98.5Very high98Very high50 Ų5097.3 Ų97.327%0.26744%0.436SS..Hα-helixtrans-63.4-35.4178.4-69.1-23.9000112.4R179 Y180 N181 K187 K205R179-N183 WeakPolarHBondContact O-CB 3.27Å; R179-N183 PolarHBondContact O-N 3.26Å; R179-N183 PolarHBondContact O-ND2 2.73Å; R179-N183 VanDerWaalsContact O-ND2 3.14Å; Y180-N183 PolarHBondContact O-N 3.49Å; N181-N183 PolarHBondContact O-N 3.08Å; N183-K187 WeakPolarHBondContact O-CG 3.4Å; N183-K187 PolarHBondContact O-N 3.15Å; N183-K187 VanDerWaalsContact O-N 3.08Å; N183-K205 WeakPolarHBondContact OD1-CE 3.36Å; N183-K205 PolarHBondContact OD1-NZ 3.09Å
184Y98.5Very high97.8Very high143 Ų14395.8 Ų95.856%0.56143%0.432SS*.Hα-helixtrans-65.7-51.2175.5-179-88.9000111Y180 N181 I182 I186 K187 E188Y180-Y184 WeakPolarHBondContact O-CB 3.27Å; Y180-Y184 PolarHBondContact O-N 2.68Å; N181-Y184 WeakPolarHBondContact O-CB 3.47Å; N181-Y184 PolarHBondContact O-N 2.96Å; I182-Y184 VanDerWaalsContact C-N 3.29Å; I182-Y184 PolarHBondContact O-N 3.46Å; Y184-I186 VanDerWaalsContact C-N 3.28Å; Y184-I186 PolarHBondContact O-N 2.86Å; Y184-K187 WeakPolarHBondContact O-CA 3.44Å; Y184-K187 WeakPolarHBondContact O-CB 3.33Å; Y184-K187 PolarHBondContact O-N 3.4Å; Y184-E188 HydrophobicContact CE1-CB 4.47Å; Y184-E188 WeakPolarHBondContact O-CB 3.3Å; Y184-E188 PolarHBondContact O-N 2.85Å
185R98.6Very high97.3Very high125 Ų12596.7 Ų96.747%0.47243%0.432SS..Hα-helixtrans-59.2-36.7177.8-65.2-55.6-175.3-172.9-1.4112.7N181 I182 E188 L189N181-R185 PolarHBondContact O-N 3.5Å; I182-R185 PolarHBondContact O-N 3.45Å; R185-E188 WeakPolarHBondContact CD-OE2 3.3Å; R185-E188 IonicContact CZ-OE2 2.89Å; R185-E188 IonicContact NE-OE2 2.75Å; R185-E188 IonicContact NH1-OE1 3.71Å; R185-E188 PolarHBondContact NH1-OE1 2.99Å; R185-E188 IonicContact NH1-OE2 2.72Å; R185-E188 PolarHBondContact NH1-OE2 3.17Å; R185-E188 PolarHBondContact O-N 3.4Å; R185-L189 WeakPolarHBondContact O-CG 3.44Å; R185-L189 PolarHBondContact O-N 3.26Å
186I98.4Very high96.5Very high20 Ų2097 Ų9710%0.10344%0.439CS..Hα-helixtrans-66.4-41.2172.7-65168.5000111.2I182 Y184 G190 K205 I208 L209I182-I186 HydrophobicContact CG2-CD1 3.94Å; I182-I186 WeakPolarHBondContact O-CG1 3.35Å; I182-I186 PolarHBondContact O-N 2.94Å; Y184-I186 VanDerWaalsContact C-N 3.28Å; Y184-I186 PolarHBondContact O-N 2.86Å; I186-G190 PolarHBondContact O-N 3.21Å; I186-G190 VanDerWaalsContact O-N 3.08Å; I186-K205 HydrophobicContact CD1-CB 4.45Å; I186-K205 HydrophobicContact CD1-CD 4.22Å; I186-K205 HydrophobicContact CD1-CG 4.47Å; I186-K205 HydrophobicContact CG2-CB 4.19Å; I186-K205 HydrophobicContact CG2-CG 4.18Å; I186-I208 HydrophobicContact CG2-CB 4.28Å; I186-I208 HydrophobicContact CG2-CD1 4.14Å; I186-I208 HydrophobicContact CG2-CG2 4.12Å; I186-I208 WeakPolarHBondContact O-CG2 3.26Å; I186-L209 HydrophobicContact CD1-CD1 4.34Å; I186-L209 HydrophobicContact CG1-CD2 4.37Å
187K97.3Very high95.5Very high157 Ų15799 Ų9968%0.68346%0.46SS*.Hα-helixtrans-64.8-40.6176.1-75.3179.4176.5-169.90112.6N183 Y184 G190 T191N183-K187 WeakPolarHBondContact O-CG 3.4Å; N183-K187 PolarHBondContact O-N 3.15Å; N183-K187 VanDerWaalsContact O-N 3.08Å; Y184-K187 WeakPolarHBondContact O-CA 3.44Å; Y184-K187 WeakPolarHBondContact O-CB 3.33Å; Y184-K187 PolarHBondContact O-N 3.4Å; K187-G190 CarbonylContact O-C 3.51Å; K187-G190 VanDerWaalsContact O-CA 3.28Å; K187-G190 WeakPolarHBondContact O-CA 3.42Å; K187-G190 PolarHBondContact O-N 3.12Å; K187-G190 VanDerWaalsContact O-N 3.07Å; K187-T191 PolarHBondContact O-N 3.24Å
188E98.1Very high94.8Very high65 Ų6593 Ų9330%0.30444%0.443SS..Hα-helixtrans-62.3-46.2175.7-180-175.8-135.800111.9Y184 R185 G190 T191 L192Y184-E188 HydrophobicContact CE1-CB 4.47Å; Y184-E188 WeakPolarHBondContact O-CB 3.3Å; Y184-E188 PolarHBondContact O-N 2.85Å; R185-E188 WeakPolarHBondContact CD-OE2 3.3Å; R185-E188 IonicContact CZ-OE2 2.89Å; R185-E188 IonicContact NE-OE2 2.75Å; R185-E188 IonicContact NH1-OE1 3.71Å; R185-E188 PolarHBondContact NH1-OE1 2.99Å; R185-E188 IonicContact NH1-OE2 2.72Å; R185-E188 PolarHBondContact NH1-OE2 3.17Å; R185-E188 PolarHBondContact O-N 3.4Å; E188-G190 PolarHBondContact O-N 3.35Å; E188-T191 PolarHBondContact O-N 2.93Å; E188-T191 PolarHBondContact O-OG1 2.94Å; E188-L192 PolarHBondContact O-N 2.9Å
189L98.3Very high94Very high61 Ų6192.4 Ų92.432%0.31946%0.457SS..Hα-helixtrans-54.8-40.8169.2-72.7172.2000111.2R185 T191 L192 I193 I208 L209R185-L189 WeakPolarHBondContact O-CG 3.44Å; R185-L189 PolarHBondContact O-N 3.26Å; L189-T191 PolarHBondContact O-N 3.07Å; L189-T191 VanDerWaalsContact O-N 3.12Å; L189-L192 PolarHBondContact O-N 3.2Å; L189-I193 VanDerWaalsContact O-CD1 3.24Å; L189-I193 WeakPolarHBondContact O-CD1 3.39Å; L189-I193 VanDerWaalsContact O-CG1 3.24Å; L189-I193 WeakPolarHBondContact O-CG1 2.89Å; L189-I193 PolarHBondContact O-N 3.15Å; L189-I208 HydrophobicContact CB-CG2 4.04Å; L189-L209 HydrophobicContact CD1-CD2 4.21Å
190G96.2Very high93.3Very high7 Ų792 Ų927%0.07247%0.466CS..Hα-helixtrans-57.1-21.3174.500000115.3I186 K187 E188 K195I186-G190 PolarHBondContact O-N 3.21Å; I186-G190 VanDerWaalsContact O-N 3.08Å; K187-G190 CarbonylContact O-C 3.51Å; K187-G190 VanDerWaalsContact O-CA 3.28Å; K187-G190 WeakPolarHBondContact O-CA 3.42Å; K187-G190 PolarHBondContact O-N 3.12Å; K187-G190 VanDerWaalsContact O-N 3.07Å; E188-G190 PolarHBondContact O-N 3.35Å; G190-K195 PolarHBondContact O-NZ 3.07Å
191T95.9Very high92.9Very high108 Ų10888.2 Ų88.266%0.66345%0.454SS*.Hα-helixtrans-91.9-20.8174.864.40000113.5K187 E188 L189K187-T191 PolarHBondContact O-N 3.24Å; E188-T191 PolarHBondContact O-N 2.93Å; E188-T191 PolarHBondContact O-OG1 2.94Å; L189-T191 PolarHBondContact O-N 3.07Å; L189-T191 VanDerWaalsContact O-N 3.12Å
192L97.1Very high92.5Very high116 Ų11692.8 Ų92.861%0.60747%0.465SS*.Hα-helixtrans-89-18.8-178.3-61.3176.1000113.8E188 L189E188-L192 PolarHBondContact O-N 2.9Å; L189-L192 PolarHBondContact O-N 3.2Å
193I95.8Very high92.2Very high12 Ų1293.8 Ų93.86%0.06246%0.464CS..SBendtrans-82.5134.5-179.8-58152000109.9L189 K195 W203 I208 A211 S212L189-I193 VanDerWaalsContact O-CD1 3.24Å; L189-I193 WeakPolarHBondContact O-CD1 3.39Å; L189-I193 VanDerWaalsContact O-CG1 3.24Å; L189-I193 WeakPolarHBondContact O-CG1 2.89Å; L189-I193 PolarHBondContact O-N 3.15Å; I193-K195 PolarHBondContact O-N 2.89Å; I193-W203 HydrophobicContact CD1-CZ3 4.33Å; I193-W203 HydrophobicContact CG2-CH2 3.97Å; I193-W203 HydrophobicContact CG2-CZ3 4.33Å; I193-I208 HydrophobicContact CD1-CG2 3.8Å; I193-I208 VanDerWaalsContact CD1-O 3.3Å; I193-I208 WeakPolarHBondContact CD1-O 3.43Å; I193-A211 HydrophobicContact CD1-CB 4.32Å; I193-A211 HydrophobicContact CG2-CB 3.79Å; I193-S212 WeakPolarHBondContact CD1-OG 3.34Å
194P94.5Very high92.1Very high73 Ų7394.7 Ų94.747%0.47447%0.469SS..PPolyproline II helixtrans-52.4134.8170.9-26.534.6000112.1Y215P194-Y215 HydrophobicContact CG-CD2 3.83Å; P194-Y215 HydrophobicContact CG-CE1 4.36Å; P194-Y215 HydrophobicContact CG-CE2 3.47Å; P194-Y215 VanDerWaalsContact CG-CE2 3.47Å; P194-Y215 HydrophobicContact CG-CG 4.43Å
195K87.1Confident92Very high122 Ų12293.3 Ų93.353%0.5347%0.466SS..PPolyproline II helixtrans-76.4133.7177.3-58.9-51.5-172.1-1770109.9G190 I193 W203G190-K195 PolarHBondContact O-NZ 3.07Å; I193-K195 PolarHBondContact O-N 2.89Å; K195-W203 HydrophobicContact CD-CZ2 3.86Å
196S81.4Confident91.9Very high47 Ų4789.5 Ų89.533%0.32947%0.465SS..PPolyproline II helixtrans-70141.2168.653.60000110.1D198 M201S196-D198 PolarHBondContact O-N 2.94Å; S196-M201 WeakPolarHBondContact OG-CB 3.25Å; S196-M201 WeakPolarHBondContact OG-CG 3.4Å
197N78.6Confident91.8Very high172 Ų17290.5 Ų90.592%0.9247%0.472SS*.SBendtrans-732171.9-68.1-18000113.7P199N197-P199 WeakPolarHBondContact O-CD 3.34Å
198D84.8Confident91.8Very high80 Ų8083.8 Ų83.843%0.42844%0.443SS..  trans-75.7115.2176.9179.70.7000110.7S196 D200 M201S196-D198 PolarHBondContact O-N 2.94Å; D198-D200 PolarHBondContact O-N 3.45Å; D198-D200 PolarHBondContact OD1-N 3.4Å; D198-M201 HydrophobicContact CB-CB 4.34Å; D198-M201 WeakPolarHBondContact O-CB 3.3Å; D198-M201 PolarHBondContact O-N 2.97Å
199P80.5Confident91.8Very high127 Ų12784.4 Ų84.483%0.82545%0.448SS*.THydrogen-bonded Turntrans-66.5-21.1-179.428.7-35.4000113.5N197 M201N197-P199 WeakPolarHBondContact O-CD 3.34Å; P199-M201 VanDerWaalsContact C-N 3.29Å; P199-M201 PolarHBondContact O-N 3.32Å
200D85Confident91.7Very high136 Ų13687.7 Ų87.773%0.72746%0.46SS*.THydrogen-bonded Turntrans-85.81.9177.5-73.7-30.9000112.8D198 R202D198-D200 PolarHBondContact O-N 3.45Å; D198-D200 PolarHBondContact OD1-N 3.4Å; D200-R202 PolarHBondContact O-N 3.44Å
201M89.8Confident91.7Very high69 Ų6988.4 Ų88.434%0.3447%0.465SS..  trans-70.298.7-177-171.560.757.900113.3S196 D198 P199 W203S196-M201 WeakPolarHBondContact OG-CB 3.25Å; S196-M201 WeakPolarHBondContact OG-CG 3.4Å; D198-M201 HydrophobicContact CB-CB 4.34Å; D198-M201 WeakPolarHBondContact O-CB 3.3Å; D198-M201 PolarHBondContact O-N 2.97Å; P199-M201 VanDerWaalsContact C-N 3.29Å; P199-M201 PolarHBondContact O-N 3.32Å; M201-W203 HydrophobicContact CG-CZ2 4.24Å; M201-W203 PolarHBondContact O-N 3.48Å
202R90.1Very high91.8Very high190 Ų19083.6 Ų83.672%0.71744%0.436SS*.  trans-86.6101.5177.3-65.9-178.665.3-99.9-0.4112.5D200 N204 T207D200-R202 PolarHBondContact O-N 3.44Å; R202-N204 PolarHBondContact O-N 3.49Å; R202-N204 PolarHBondContact O-ND2 3.17Å; R202-T207 PolarHBondContact O-OG1 3.07Å
203W91.7Very high91.9Very high89 Ų8982 Ų8234%0.33743%0.431SS..  trans-65.9102.4173.9-65.399.4000112.2I193 K195 M201 I208 A211I193-W203 HydrophobicContact CD1-CZ3 4.33Å; I193-W203 HydrophobicContact CG2-CH2 3.97Å; I193-W203 HydrophobicContact CG2-CZ3 4.33Å; K195-W203 HydrophobicContact CD-CZ2 3.86Å; M201-W203 HydrophobicContact CG-CZ2 4.24Å; M201-W203 PolarHBondContact O-N 3.48Å; W203-I208 HydrophobicContact CB-CG1 4.37Å; W203-I208 HydrophobicContact CE3-CG1 3.68Å; W203-I208 HydrophobicContact CZ3-CG1 4.43Å; W203-A211 HydrophobicContact CH2-CB 4.27Å; W203-A211 HydrophobicContact CZ3-CB 4.01Å
204N95.9Very high92Very high69 Ų6985.3 Ų85.337%0.36945%0.446SS..  trans-125171175.566.274.5000109.1R202 G206 T207 I208R202-N204 PolarHBondContact O-N 3.49Å; R202-N204 PolarHBondContact O-ND2 3.17Å; N204-G206 PolarHBondContact O-N 2.95Å; N204-G206 VanDerWaalsContact O-N 3.15Å; N204-G206 WeakPolarHBondContact OD1-CA 3.36Å; N204-G206 PolarHBondContact OD1-N 3.49Å; N204-T207 VanDerWaalsContact CG-OG1 3.3Å; N204-T207 PolarHBondContact N-OG1 3.15Å; N204-T207 WeakPolarHBondContact ND2-CG2 3.26Å; N204-T207 PolarHBondContact ND2-OG1 3.22Å; N204-T207 VanDerWaalsContact ND2-OG1 3.07Å; N204-T207 PolarHBondContact O-N 3.46Å; N204-T207 PolarHBondContact O-OG1 3.43Å; N204-T207 PolarHBondContact OD1-N 3.29Å; N204-T207 VanDerWaalsContact OD1-N 3.08Å; N204-I208 WeakPolarHBondContact O-CB 3.37Å; N204-I208 VanDerWaalsContact O-CG1 3.26Å; N204-I208 WeakPolarHBondContact O-CG1 3.21Å; N204-I208 PolarHBondContact O-N 3.44Å
205K96.4Very high92.1Very high115 Ų11585.3 Ų85.350%0.544%0.437SS..Hα-helixtrans-56.3-36.9-175.6-58.2-172.6-167.7-1800113N183 I186 L209N183-K205 WeakPolarHBondContact OD1-CE 3.36Å; N183-K205 PolarHBondContact OD1-NZ 3.09Å; I186-K205 HydrophobicContact CD1-CB 4.45Å; I186-K205 HydrophobicContact CD1-CD 4.22Å; I186-K205 HydrophobicContact CD1-CG 4.47Å; I186-K205 HydrophobicContact CG2-CB 4.19Å; I186-K205 HydrophobicContact CG2-CG 4.18Å; K205-L209 WeakPolarHBondContact O-CB 3.28Å; K205-L209 WeakPolarHBondContact O-CD1 3.39Å; K205-L209 WeakPolarHBondContact O-CG 3.43Å; K205-L209 PolarHBondContact O-N 3.43Å; K205-L209 VanDerWaalsContact O-N 3.16Å
206G97.3Very high92.7Very high44 Ų4483.6 Ų83.645%0.45443%0.433SS..Hα-helixtrans-70.5-47.7178.200000112.7N204 L209 K210N204-G206 PolarHBondContact O-N 2.95Å; N204-G206 VanDerWaalsContact O-N 3.15Å; N204-G206 WeakPolarHBondContact OD1-CA 3.36Å; N204-G206 PolarHBondContact OD1-N 3.49Å; G206-L209 PolarHBondContact O-N 3.49Å; G206-K210 WeakPolarHBondContact O-CB 3.46Å; G206-K210 PolarHBondContact O-N 2.99Å
207T96.3Very high93.5Very high42 Ų4287.8 Ų87.826%0.25844%0.441SS..Hα-helixtrans-68.9-37.8179.750.60000112.5R202 N204 K210 A211R202-T207 PolarHBondContact O-OG1 3.07Å; N204-T207 VanDerWaalsContact CG-OG1 3.3Å; N204-T207 PolarHBondContact N-OG1 3.15Å; N204-T207 WeakPolarHBondContact ND2-CG2 3.26Å; N204-T207 PolarHBondContact ND2-OG1 3.22Å; N204-T207 VanDerWaalsContact ND2-OG1 3.07Å; N204-T207 PolarHBondContact O-N 3.46Å; N204-T207 PolarHBondContact O-OG1 3.43Å; N204-T207 PolarHBondContact OD1-N 3.29Å; N204-T207 VanDerWaalsContact OD1-N 3.08Å; T207-K210 PolarHBondContact O-N 3.3Å; T207-A211 VanDerWaalsContact O-CB 3.3Å; T207-A211 WeakPolarHBondContact O-CB 3.44Å; T207-A211 PolarHBondContact O-N 3.22Å
208I96.8Very high94.4Very high15 Ų1585.8 Ų85.88%0.07742%0.421CS..Hα-helixtrans-59.4-49.7172.1-65.7165.3000110.7I186 L189 I193 W203 N204 A211 S212I186-I208 HydrophobicContact CG2-CB 4.28Å; I186-I208 HydrophobicContact CG2-CD1 4.14Å; I186-I208 HydrophobicContact CG2-CG2 4.12Å; I186-I208 WeakPolarHBondContact O-CG2 3.26Å; L189-I208 HydrophobicContact CB-CG2 4.04Å; I193-I208 HydrophobicContact CD1-CG2 3.8Å; I193-I208 VanDerWaalsContact CD1-O 3.3Å; I193-I208 WeakPolarHBondContact CD1-O 3.43Å; W203-I208 HydrophobicContact CB-CG1 4.37Å; W203-I208 HydrophobicContact CE3-CG1 3.68Å; W203-I208 HydrophobicContact CZ3-CG1 4.43Å; N204-I208 WeakPolarHBondContact O-CB 3.37Å; N204-I208 VanDerWaalsContact O-CG1 3.26Å; N204-I208 WeakPolarHBondContact O-CG1 3.21Å; N204-I208 PolarHBondContact O-N 3.44Å; I208-A211 PolarHBondContact O-N 3.26Å; I208-S212 WeakPolarHBondContact O-CB 3.42Å; I208-S212 PolarHBondContact O-N 3.04Å; I208-S212 PolarHBondContact O-OG 2.99Å
209L98.2Very high95Very high78 Ų7885.4 Ų85.441%0.40842%0.419SS..Hα-helixtrans-65.2-41.7-179.8-73.5171.3000112.2I186 L189 K205 G206 S212 V213I186-L209 HydrophobicContact CD1-CD1 4.34Å; I186-L209 HydrophobicContact CG1-CD2 4.37Å; L189-L209 HydrophobicContact CD1-CD2 4.21Å; K205-L209 WeakPolarHBondContact O-CB 3.28Å; K205-L209 WeakPolarHBondContact O-CD1 3.39Å; K205-L209 WeakPolarHBondContact O-CG 3.43Å; K205-L209 PolarHBondContact O-N 3.43Å; K205-L209 VanDerWaalsContact O-N 3.16Å; G206-L209 PolarHBondContact O-N 3.49Å; L209-S212 WeakPolarHBondContact O-CB 3.44Å; L209-S212 PolarHBondContact O-N 3.45Å; L209-V213 WeakPolarHBondContact O-CG2 3.38Å; L209-V213 PolarHBondContact O-N 3.14Å; L209-V213 VanDerWaalsContact O-N 3.12Å
210K96.9Very high95.8Very high131 Ų13185.4 Ų85.457%0.5741%0.408SS*.Hα-helixtrans-59.1-52175.6-177.4-177.6170.1-173.10111.2G206 T207 S212 V213 E214G206-K210 WeakPolarHBondContact O-CB 3.46Å; G206-K210 PolarHBondContact O-N 2.99Å; T207-K210 PolarHBondContact O-N 3.3Å; K210-S212 VanDerWaalsContact C-N 3.3Å; K210-S212 PolarHBondContact O-N 3.29Å; K210-V213 PolarHBondContact O-N 3.38Å; K210-V213 VanDerWaalsContact O-N 3.17Å; K210-E214 WeakPolarHBondContact CE-OE1 3.48Å; K210-E214 IonicContact NZ-OE1 3.25Å; K210-E214 PolarHBondContact O-N 3.4Å
211A96.4Very high96.4Very high21 Ų2186.6 Ų86.617%0.17441%0.406CS..Hα-helixtrans-66.4-31.5-179.500000112.3I193 W203 T207 I208 E214 Y215I193-A211 HydrophobicContact CD1-CB 4.32Å; I193-A211 HydrophobicContact CG2-CB 3.79Å; W203-A211 HydrophobicContact CH2-CB 4.27Å; W203-A211 HydrophobicContact CZ3-CB 4.01Å; T207-A211 VanDerWaalsContact O-CB 3.3Å; T207-A211 WeakPolarHBondContact O-CB 3.44Å; T207-A211 PolarHBondContact O-N 3.22Å; I208-A211 PolarHBondContact O-N 3.26Å; A211-E214 PolarHBondContact O-N 2.85Å; A211-Y215 WeakPolarHBondContact O-CB 3.24Å; A211-Y215 PolarHBondContact O-N 3.27Å
212S98Very high96.8Very high8 Ų886.7 Ų86.76%0.05641%0.406CS..Hα-helixtrans-58-49.1170.3-55.50000111.5I193 I208 L209 K210 Y215 I216I193-S212 WeakPolarHBondContact CD1-OG 3.34Å; I208-S212 WeakPolarHBondContact O-CB 3.42Å; I208-S212 PolarHBondContact O-N 3.04Å; I208-S212 PolarHBondContact O-OG 2.99Å; L209-S212 WeakPolarHBondContact O-CB 3.44Å; L209-S212 PolarHBondContact O-N 3.45Å; K210-S212 VanDerWaalsContact C-N 3.3Å; K210-S212 PolarHBondContact O-N 3.29Å; S212-Y215 PolarHBondContact O-N 2.98Å; S212-I216 VanDerWaalsContact O-CG1 3.27Å; S212-I216 WeakPolarHBondContact O-CG1 3.2Å; S212-I216 PolarHBondContact O-N 3.16Å
213V98.3Very high97.2Very high81 Ų8183.4 Ų83.449%0.49140%0.399SS..Hα-helixtrans-70.9-33.8-177.3177.20000111.5L209 K210 R217L209-V213 WeakPolarHBondContact O-CG2 3.38Å; L209-V213 PolarHBondContact O-N 3.14Å; L209-V213 VanDerWaalsContact O-N 3.12Å; K210-V213 PolarHBondContact O-N 3.38Å; K210-V213 VanDerWaalsContact O-N 3.17Å; V213-R217 WeakPolarHBondContact O-CG 3.41Å; V213-R217 PolarHBondContact O-N 3.08Å; V213-R217 PolarHBondContact O-NE 2.91Å
214E97.6Very high97.5Very high83 Ų8383.1 Ų83.139%0.38840%0.401SS..Hα-helixtrans-68-44.1172.8-73.2170.8172.300111.6K210 A211 R217 W218K210-E214 WeakPolarHBondContact CE-OE1 3.48Å; K210-E214 IonicContact NZ-OE1 3.25Å; K210-E214 PolarHBondContact O-N 3.4Å; A211-E214 PolarHBondContact O-N 2.85Å; E214-R217 PolarHBondContact O-N 2.98Å; E214-W218 PolarHBondContact O-N 3.1Å
215Y97.8Very high97.5Very high72 Ų7283.9 Ų83.928%0.28240%0.402SS..Hα-helixtrans-67.1-38.7178.4-173.8-128.7000112.8P194 A211 S212 R217 W218 L219P194-Y215 HydrophobicContact CG-CD2 3.83Å; P194-Y215 HydrophobicContact CG-CE1 4.36Å; P194-Y215 HydrophobicContact CG-CE2 3.47Å; P194-Y215 VanDerWaalsContact CG-CE2 3.47Å; P194-Y215 HydrophobicContact CG-CG 4.43Å; A211-Y215 WeakPolarHBondContact O-CB 3.24Å; A211-Y215 PolarHBondContact O-N 3.27Å; S212-Y215 PolarHBondContact O-N 2.98Å; Y215-R217 PolarHBondContact O-N 3.04Å; Y215-W218 AromaticContact CD2-CE3 3.76Å; Y215-W218 HydrophobicContact CD2-CE3 3.76Å; Y215-W218 HydrophobicContact CD2-CZ3 4.37Å; Y215-W218 AromaticContact CE2-CE3 3.47Å; Y215-W218 HydrophobicContact CE2-CE3 3.47Å; Y215-W218 VanDerWaalsContact CE2-CE3 3.47Å; Y215-W218 AromaticContact CE2-CZ3 3.62Å; Y215-W218 HydrophobicContact CE2-CZ3 3.62Å; Y215-W218 PolarHBondContact O-N 2.7Å; Y215-L219 HydrophobicContact CD1-CD1 3.95Å; Y215-L219 HydrophobicContact CD2-CG 4.36Å; Y215-L219 HydrophobicContact CE1-CD1 3.64Å; Y215-L219 HydrophobicContact CE1-CG 4.26Å; Y215-L219 HydrophobicContact CE2-CD1 4.31Å; Y215-L219 HydrophobicContact CE2-CD2 4.26Å; Y215-L219 HydrophobicContact CE2-CG 4.03Å; Y215-L219 HydrophobicContact CG-CD1 4.42Å; Y215-L219 WeakPolarHBondContact O-CB 3.19Å; Y215-L219 WeakPolarHBondContact O-CG 3.39Å; Y215-L219 PolarHBondContact O-N 3.33Å
216I98.4Very high97.6Very high86 Ų8681 Ų8144%0.44140%0.4SS..Hα-helixtrans-61.6-43.4172.4-70.1164.2000111S212 W218 L219 Q220S212-I216 VanDerWaalsContact O-CG1 3.27Å; S212-I216 WeakPolarHBondContact O-CG1 3.2Å; S212-I216 PolarHBondContact O-N 3.16Å; I216-W218 VanDerWaalsContact C-N 3.33Å; I216-W218 PolarHBondContact O-N 3.38Å; I216-L219 PolarHBondContact O-N 3.49Å; I216-Q220 WeakPolarHBondContact O-CB 3.26Å; I216-Q220 VanDerWaalsContact O-CG 3.27Å; I216-Q220 WeakPolarHBondContact O-CG 3.47Å; I216-Q220 PolarHBondContact O-N 3.22Å
217R98.3Very high97.7Very high135 Ų13584.1 Ų84.151%0.50940%0.398SS..Hα-helixtrans-63.5-38.8175.6-80.7-177.7-83.2124.4-9.1112.1V213 E214 Y215 K221V213-R217 WeakPolarHBondContact O-CG 3.41Å; V213-R217 PolarHBondContact O-N 3.08Å; V213-R217 PolarHBondContact O-NE 2.91Å; E214-R217 PolarHBondContact O-N 2.98Å; Y215-R217 PolarHBondContact O-N 3.04Å; R217-K221 PolarHBondContact O-N 3.4Å; R217-K221 VanDerWaalsContact O-N 3.15Å
218W97.6Very high97.7Very high130 Ų13087.2 Ų87.249%0.49241%0.409SS..Hα-helixtrans-64.2-51174.2178.479.8000111.5E214 Y215 I216 Q220 K221 E222E214-W218 PolarHBondContact O-N 3.1Å; Y215-W218 AromaticContact CD2-CE3 3.76Å; Y215-W218 HydrophobicContact CD2-CE3 3.76Å; Y215-W218 HydrophobicContact CD2-CZ3 4.37Å; Y215-W218 AromaticContact CE2-CE3 3.47Å; Y215-W218 HydrophobicContact CE2-CE3 3.47Å; Y215-W218 VanDerWaalsContact CE2-CE3 3.47Å; Y215-W218 AromaticContact CE2-CZ3 3.62Å; Y215-W218 HydrophobicContact CE2-CZ3 3.62Å; Y215-W218 PolarHBondContact O-N 2.7Å; I216-W218 VanDerWaalsContact C-N 3.33Å; I216-W218 PolarHBondContact O-N 3.38Å; W218-Q220 VanDerWaalsContact C-N 3.27Å; W218-Q220 PolarHBondContact O-N 2.68Å; W218-K221 CarbonylContact O-C 3.6Å; W218-K221 WeakPolarHBondContact O-CA 3.35Å; W218-K221 WeakPolarHBondContact O-CB 3.47Å; W218-K221 PolarHBondContact O-N 3.49Å; W218-E222 HydrophobicContact CH2-CB 4.42Å; W218-E222 HydrophobicContact CH2-CG 4.13Å; W218-E222 HydrophobicContact CZ2-CB 4.29Å; W218-E222 HydrophobicContact CZ2-CG 4.01Å; W218-E222 PolarHBondContact O-N 3.35Å
219L98.3Very high97.8Very high73 Ų7391 Ų9138%0.38243%0.429SS..Hα-helixtrans-57-37.5176.7-76.3171.7000112.8Y215 I216 E222 Q223Y215-L219 HydrophobicContact CD1-CD1 3.95Å; Y215-L219 HydrophobicContact CD2-CG 4.36Å; Y215-L219 HydrophobicContact CE1-CD1 3.64Å; Y215-L219 HydrophobicContact CE1-CG 4.26Å; Y215-L219 HydrophobicContact CE2-CD1 4.31Å; Y215-L219 HydrophobicContact CE2-CD2 4.26Å; Y215-L219 HydrophobicContact CE2-CG 4.03Å; Y215-L219 HydrophobicContact CG-CD1 4.42Å; Y215-L219 WeakPolarHBondContact O-CB 3.19Å; Y215-L219 WeakPolarHBondContact O-CG 3.39Å; Y215-L219 PolarHBondContact O-N 3.33Å; I216-L219 PolarHBondContact O-N 3.49Å; L219-E222 PolarHBondContact O-N 3.42Å; L219-Q223 WeakPolarHBondContact O-CB 3.37Å; L219-Q223 PolarHBondContact O-N 3.23Å
220Q98Very high97.8Very high126 Ų12694 Ų9459%0.58944%0.441SS*.Hα-helixtrans-65.8-40.3175-75.5172-13.200112.3I216 W218 Q224I216-Q220 WeakPolarHBondContact O-CB 3.26Å; I216-Q220 VanDerWaalsContact O-CG 3.27Å; I216-Q220 WeakPolarHBondContact O-CG 3.47Å; I216-Q220 PolarHBondContact O-N 3.22Å; W218-Q220 VanDerWaalsContact C-N 3.27Å; W218-Q220 PolarHBondContact O-N 2.68Å; Q220-Q224 PolarHBondContact O-N 2.92Å
221K97.6Very high97.9Very high161 Ų16190.7 Ų90.770%0.744%0.435SS*.Hα-helixtrans-67-44.3173.8-169.2-172.6177-166.50110.9R217 W218 Q223 Q224 H225R217-K221 PolarHBondContact O-N 3.4Å; R217-K221 VanDerWaalsContact O-N 3.15Å; W218-K221 CarbonylContact O-C 3.6Å; W218-K221 WeakPolarHBondContact O-CA 3.35Å; W218-K221 WeakPolarHBondContact O-CB 3.47Å; W218-K221 PolarHBondContact O-N 3.49Å; K221-Q223 PolarHBondContact O-N 2.99Å; K221-Q224 WeakPolarHBondContact O-CB 3.48Å; K221-Q224 PolarHBondContact O-N 2.74Å; K221-Q224 VanDerWaalsContact O-N 3.11Å; K221-H225 WeakPolarHBondContact O-CB 3.33Å; K221-H225 PolarHBondContact O-N 2.97Å
222E97.8Very high97.9Very high72 Ų7297.3 Ų97.334%0.33646%0.455SS..Hα-helixtrans-64.8-39-179.7-159.758.8-118.800111.7W218 L219 Q224 H225 A226W218-E222 HydrophobicContact CH2-CB 4.42Å; W218-E222 HydrophobicContact CH2-CG 4.13Å; W218-E222 HydrophobicContact CZ2-CB 4.29Å; W218-E222 HydrophobicContact CZ2-CG 4.01Å; W218-E222 PolarHBondContact O-N 3.35Å; L219-E222 PolarHBondContact O-N 3.42Å; E222-Q224 VanDerWaalsContact C-N 3.29Å; E222-Q224 PolarHBondContact O-N 3.43Å; E222-H225 PolarHBondContact O-N 3.18Å; E222-H225 IonicContact OE1-CG 3.73Å; E222-H225 IonicContact OE1-ND1 2.72Å; E222-H225 PolarHBondContact OE1-ND1 3.35Å; E222-A226 WeakPolarHBondContact O-CB 3.43Å; E222-A226 PolarHBondContact O-N 3.23Å
223Q98.1Very high98Very high121 Ų121101.6 Ų101.657%0.56547%0.474SS*.Hα-helixtrans-65.3-31.8173.8-162.8-162.168.800112.6L219 K221 R227L219-Q223 WeakPolarHBondContact O-CB 3.37Å; L219-Q223 PolarHBondContact O-N 3.23Å; K221-Q223 PolarHBondContact O-N 2.99Å; Q223-R227 PolarHBondContact O-N 2.99Å
224Q96.9Very high98Very high83 Ų83105.1 Ų105.139%0.38848%0.483SS..Hα-helixtrans-71.2-45.2172.6177.459.421.200111.3Q220 K221 E222 A226 R227 E228Q220-Q224 PolarHBondContact O-N 2.92Å; K221-Q224 WeakPolarHBondContact O-CB 3.48Å; K221-Q224 PolarHBondContact O-N 2.74Å; K221-Q224 VanDerWaalsContact O-N 3.11Å; E222-Q224 VanDerWaalsContact C-N 3.29Å; E222-Q224 PolarHBondContact O-N 3.43Å; Q224-A226 VanDerWaalsContact C-N 3.33Å; Q224-A226 PolarHBondContact O-N 3.04Å; Q224-R227 WeakPolarHBondContact O-CB 3.47Å; Q224-R227 PolarHBondContact O-N 3.29Å; Q224-R227 VanDerWaalsContact OE1-NE 3.11Å; Q224-E228 WeakPolarHBondContact CG-OE1 3.35Å; Q224-E228 PolarHBondContact NE2-OE1 3.31Å; Q224-E228 PolarHBondContact O-N 3.48Å; Q224-E228 VanDerWaalsContact O-N 3.11Å
225H97.8Very high98Very high84 Ų84107.7 Ų107.739%0.38949%0.493SS..Hα-helixtrans-59-42.6176.2179.9-125.5000111.9K221 E222 R227 E228 L229K221-H225 WeakPolarHBondContact O-CB 3.33Å; K221-H225 PolarHBondContact O-N 2.97Å; E222-H225 PolarHBondContact O-N 3.18Å; E222-H225 IonicContact OE1-CG 3.73Å; E222-H225 IonicContact OE1-ND1 2.72Å; E222-H225 PolarHBondContact OE1-ND1 3.35Å; H225-R227 VanDerWaalsContact C-N 3.34Å; H225-R227 PolarHBondContact O-N 2.92Å; H225-E228 WeakPolarHBondContact O-CB 3.32Å; H225-E228 PolarHBondContact O-N 3.45Å; H225-E228 VanDerWaalsContact O-N 3.09Å; H225-L229 PolarHBondContact O-N 3.44Å
226A98Very high98Very high54 Ų54108.9 Ų108.945%0.44650%0.504SS..Hα-helixtrans-57.9-41174.600000113.2E222 Q224 L229 E230E222-A226 WeakPolarHBondContact O-CB 3.43Å; E222-A226 PolarHBondContact O-N 3.23Å; Q224-A226 VanDerWaalsContact C-N 3.33Å; Q224-A226 PolarHBondContact O-N 3.04Å; A226-L229 PolarHBondContact O-N 3.39Å; A226-E230 WeakPolarHBondContact O-CB 3.46Å; A226-E230 PolarHBondContact O-N 2.84Å
227R97.9Very high98Very high111 Ų111109.1 Ų109.142%0.41950%0.503SS..Hα-helixtrans-65.9-36.7174.6-71.8-175-71.5-97.42112.5Q223 Q224 H225 S231Q223-R227 PolarHBondContact O-N 2.99Å; Q224-R227 WeakPolarHBondContact O-CB 3.47Å; Q224-R227 PolarHBondContact O-N 3.29Å; Q224-R227 VanDerWaalsContact OE1-NE 3.11Å; H225-R227 VanDerWaalsContact C-N 3.34Å; H225-R227 PolarHBondContact O-N 2.92Å; R227-S231 WeakPolarHBondContact O-CB 3.49Å; R227-S231 PolarHBondContact O-N 2.97Å; R227-S231 VanDerWaalsContact O-N 3.08Å
228E97.9Very high98Very high106 Ų106107.9 Ų107.950%0.49550%0.503SS..Hα-helixtrans-69.4-39.8176.4-71.6168.1-165.400111.1Q224 H225 S231 R232Q224-E228 WeakPolarHBondContact CG-OE1 3.35Å; Q224-E228 PolarHBondContact NE2-OE1 3.31Å; Q224-E228 PolarHBondContact O-N 3.48Å; Q224-E228 VanDerWaalsContact O-N 3.11Å; H225-E228 WeakPolarHBondContact O-CB 3.32Å; H225-E228 PolarHBondContact O-N 3.45Å; H225-E228 VanDerWaalsContact O-N 3.09Å; E228-S231 WeakPolarHBondContact O-CB 3.42Å; E228-S231 PolarHBondContact O-N 3.26Å; E228-R232 WeakPolarHBondContact O-CB 3.25Å; E228-R232 PolarHBondContact O-N 2.92Å
229L98.3Very high98Very high94 Ų94103.8 Ų103.849%0.49250%0.497SS..Hα-helixtrans-63.7-44.1174.6-137.477.1000111.9H225 A226 S231 R232 Q233H225-L229 PolarHBondContact O-N 3.44Å; A226-L229 PolarHBondContact O-N 3.39Å; L229-S231 VanDerWaalsContact C-N 3.35Å; L229-S231 PolarHBondContact O-N 3.45Å; L229-R232 PolarHBondContact O-N 3.21Å; L229-Q233 WeakPolarHBondContact O-CB 3.49Å; L229-Q233 PolarHBondContact O-N 2.91Å
230E98Very high98Very high142 Ų142105.4 Ų105.466%0.66451%0.506SS*.Hα-helixtrans-60.6-42.7174.4-171.9-173.7179.500111.7A226 Q233 K234A226-E230 WeakPolarHBondContact O-CB 3.46Å; A226-E230 PolarHBondContact O-N 2.84Å; E230-Q233 PolarHBondContact O-N 3.41Å; E230-K234 WeakPolarHBondContact O-CB 3.46Å; E230-K234 PolarHBondContact O-N 3.05Å
231S98.3Very high98.1Very high61 Ų61108.3 Ų108.343%0.42751%0.511SS..Hα-helixtrans-63.9-41.1175-175.20000112.3R227 E228 L229 K235R227-S231 WeakPolarHBondContact O-CB 3.49Å; R227-S231 PolarHBondContact O-N 2.97Å; R227-S231 VanDerWaalsContact O-N 3.08Å; E228-S231 WeakPolarHBondContact O-CB 3.42Å; E228-S231 PolarHBondContact O-N 3.26Å; L229-S231 VanDerWaalsContact C-N 3.35Å; L229-S231 PolarHBondContact O-N 3.45Å; S231-K235 WeakPolarHBondContact O-CG 3.47Å; S231-K235 PolarHBondContact O-N 3.22Å
232R98.1Very high98.1Very high161 Ų161108.2 Ų108.261%0.60851%0.507SS*.Hα-helixtrans-65.2-45.2174.6-174178.3-178.6176.50.9111.2E228 L229 K234 K235 L236E228-R232 WeakPolarHBondContact O-CB 3.25Å; E228-R232 PolarHBondContact O-N 2.92Å; L229-R232 PolarHBondContact O-N 3.21Å; R232-K234 PolarHBondContact O-N 3.47Å; R232-K235 WeakPolarHBondContact O-CB 3.4Å; R232-K235 PolarHBondContact O-N 2.83Å; R232-K235 VanDerWaalsContact O-N 3.17Å; R232-L236 HydrophobicContact CG-CD1 4.32Å; R232-L236 WeakPolarHBondContact O-CG 3.42Å; R232-L236 PolarHBondContact O-N 3.35Å
233Q98.2Very high98.1Very high97 Ų97110.1 Ų110.145%0.45352%0.518SS..Hα-helixtrans-56.6-49.3176.6176.859.619.400111.1L229 E230 K235 L236 E237L229-Q233 WeakPolarHBondContact O-CB 3.49Å; L229-Q233 PolarHBondContact O-N 2.91Å; E230-Q233 PolarHBondContact O-N 3.41Å; Q233-K235 VanDerWaalsContact C-N 3.29Å; Q233-K235 PolarHBondContact O-N 3.11Å; Q233-L236 WeakPolarHBondContact O-CB 3.31Å; Q233-L236 PolarHBondContact O-N 3.42Å; Q233-L236 VanDerWaalsContact O-N 3.07Å; Q233-E237 PolarHBondContact NE2-OE1 3.48Å; Q233-E237 WeakPolarHBondContact O-CG 3.46Å; Q233-E237 PolarHBondContact O-N 3.02Å
234K98.3Very high98.1Very high155 Ų155108.3 Ų108.367%0.67451%0.512SS*.Hα-helixtrans-60.3-35.7177.5-171.9173.3-175.2171.40113.4E230 R232 Q238E230-K234 WeakPolarHBondContact O-CB 3.46Å; E230-K234 PolarHBondContact O-N 3.05Å; R232-K234 PolarHBondContact O-N 3.47Å; K234-Q238 WeakPolarHBondContact O-CB 3.37Å; K234-Q238 PolarHBondContact O-N 3.47Å
235K98.2Very high98.1Very high137 Ų137109 Ų10960%0.59652%0.518SS*.Hα-helixtrans-67.1-43173.2-70.1170.2-175.8177.10111.4S231 R232 Q233 Q238 A239S231-K235 WeakPolarHBondContact O-CG 3.47Å; S231-K235 PolarHBondContact O-N 3.22Å; R232-K235 WeakPolarHBondContact O-CB 3.4Å; R232-K235 PolarHBondContact O-N 2.83Å; R232-K235 VanDerWaalsContact O-N 3.17Å; Q233-K235 VanDerWaalsContact C-N 3.29Å; Q233-K235 PolarHBondContact O-N 3.11Å; K235-Q238 PolarHBondContact O-N 2.94Å; K235-A239 WeakPolarHBondContact O-CB 3.47Å; K235-A239 PolarHBondContact O-N 3.44Å
236L98.3Very high98.1Very high98 Ų98110.6 Ų110.651%0.51352%0.521SS..Hα-helixtrans-64.2-42.9176.9-70.3172.4000111.7R232 Q233 Q238 A239 N240R232-L236 HydrophobicContact CG-CD1 4.32Å; R232-L236 WeakPolarHBondContact O-CG 3.42Å; R232-L236 PolarHBondContact O-N 3.35Å; Q233-L236 WeakPolarHBondContact O-CB 3.31Å; Q233-L236 PolarHBondContact O-N 3.42Å; Q233-L236 VanDerWaalsContact O-N 3.07Å; L236-Q238 PolarHBondContact O-N 3.45Å; L236-A239 PolarHBondContact O-N 2.99Å; L236-N240 VanDerWaalsContact O-CB 3.23Å; L236-N240 WeakPolarHBondContact O-CB 3.43Å; L236-N240 PolarHBondContact O-N 2.99Å
237E98.2Very high98.1Very high90 Ų90112.3 Ų112.342%0.42152%0.522SS..Hα-helixtrans-60.8-42.9173.8-72.5173.9-175.300112.1Q233 R241Q233-E237 PolarHBondContact NE2-OE1 3.48Å; Q233-E237 WeakPolarHBondContact O-CG 3.46Å; Q233-E237 PolarHBondContact O-N 3.02Å; E237-R241 WeakPolarHBondContact O-CB 3.48Å; E237-R241 PolarHBondContact O-N 2.64Å
238Q98.4Very high98Very high109 Ų109112 Ų11251%0.50953%0.525SS..Hα-helixtrans-65.1-42.2175.6-169-177.825.400111.8K234 K235 L236 R242K234-Q238 WeakPolarHBondContact O-CB 3.37Å; K234-Q238 PolarHBondContact O-N 3.47Å; K235-Q238 PolarHBondContact O-N 2.94Å; L236-Q238 PolarHBondContact O-N 3.45Å; Q238-R242 WeakPolarHBondContact O-CG 3.36Å; Q238-R242 PolarHBondContact O-N 3.16Å
239A98.3Very high97.9Very high45 Ų45110.9 Ų110.937%0.37252%0.52SS..Hα-helixtrans-64.1-46.7176.900000111.3K235 L236 R241 R242 L243K235-A239 WeakPolarHBondContact O-CB 3.47Å; K235-A239 PolarHBondContact O-N 3.44Å; L236-A239 PolarHBondContact O-N 2.99Å; A239-R241 PolarHBondContact O-N 3.01Å; A239-R242 WeakPolarHBondContact O-CB 3.41Å; A239-R242 PolarHBondContact O-N 3.42Å; A239-R242 VanDerWaalsContact O-N 3.11Å; A239-L243 WeakPolarHBondContact O-CG 3.35Å; A239-L243 PolarHBondContact O-N 3.38Å
240N98.3Very high97.8Very high106 Ų106110.1 Ų110.157%0.56752%0.515SS*.Hα-helixtrans-59.4-45.5176.9-167.6-18.7000111L236 R242 L243 L244L236-N240 VanDerWaalsContact O-CB 3.23Å; L236-N240 WeakPolarHBondContact O-CB 3.43Å; L236-N240 PolarHBondContact O-N 2.99Å; N240-R242 VanDerWaalsContact C-N 3.32Å; N240-R242 PolarHBondContact O-N 2.94Å; N240-L243 PolarHBondContact O-N 3.35Å; N240-L244 WeakPolarHBondContact O-CB 3.4Å; N240-L244 PolarHBondContact O-N 3.35Å
241R98.3Very high97.5Very high187 Ų187106.6 Ų106.671%0.70650%0.499SS*.Hα-helixtrans-60.2-37.3174.2-171.9175.5-179.1-1670.2113.2E237 A239 L245E237-R241 WeakPolarHBondContact O-CB 3.48Å; E237-R241 PolarHBondContact O-N 2.64Å; A239-R241 PolarHBondContact O-N 3.01Å; R241-L245 WeakPolarHBondContact O-CG 3.49Å; R241-L245 PolarHBondContact O-N 2.94Å
242R98.3Very high97.3Very high160 Ų160108 Ų10860%0.60450%0.501SS*.Hα-helixtrans-67.5-44.3174.6-70.5172.8-171.3-174.86.4111.6Q238 A239 N240 L245 R246Q238-R242 WeakPolarHBondContact O-CG 3.36Å; Q238-R242 PolarHBondContact O-N 3.16Å; A239-R242 WeakPolarHBondContact O-CB 3.41Å; A239-R242 PolarHBondContact O-N 3.42Å; A239-R242 VanDerWaalsContact O-N 3.11Å; N240-R242 VanDerWaalsContact C-N 3.32Å; N240-R242 PolarHBondContact O-N 2.94Å; R242-L245 PolarHBondContact O-N 2.88Å; R242-R246 WeakPolarHBondContact O-CB 3.27Å; R242-R246 PolarHBondContact O-N 3.44Å
243L98.4Very high97.2Very high111 Ų111104.1 Ų104.158%0.58149%0.49SS*.Hα-helixtrans-62.2-44.3177.7-70171.7000111.3A239 N240 L245 R246 I247A239-L243 WeakPolarHBondContact O-CG 3.35Å; A239-L243 PolarHBondContact O-N 3.38Å; N240-L243 PolarHBondContact O-N 3.35Å; L243-L245 PolarHBondContact O-N 2.99Å; L243-R246 PolarHBondContact O-N 2.91Å; L243-R246 VanDerWaalsContact O-N 3.15Å; L243-I247 VanDerWaalsContact O-CG1 3.31Å; L243-I247 WeakPolarHBondContact O-CG1 3.4Å; L243-I247 PolarHBondContact O-N 2.72Å
244L97.8Very high96.9Very high83 Ų83101.1 Ų101.144%0.43548%0.481SS..Hα-helixtrans-58.7-45.1177.1-173.467.2000112.2N240 I247 Q248N240-L244 WeakPolarHBondContact O-CB 3.4Å; N240-L244 PolarHBondContact O-N 3.35Å; L244-I247 PolarHBondContact O-N 3.41Å; L244-Q248 PolarHBondContact O-N 3.33Å
245L97.6Very high96.4Very high97 Ų97100.1 Ų100.151%0.50847%0.473SS..Hα-helixtrans-65.6-38175.4-70.8170.9000112.2R241 R242 L243 Q248 E249R241-L245 WeakPolarHBondContact O-CG 3.49Å; R241-L245 PolarHBondContact O-N 2.94Å; R242-L245 PolarHBondContact O-N 2.88Å; L243-L245 PolarHBondContact O-N 2.99Å; L245-Q248 PolarHBondContact O-N 3.41Å; L245-E249 WeakPolarHBondContact O-CB 3.42Å; L245-E249 PolarHBondContact O-N 3.01Å
246R97.9Very high96.1Very high119 Ų11997.7 Ų97.745%0.44948%0.479SS..Hα-helixtrans-67.8-37.9176.8-178.156.2177175.83.9112.2R242 L243 E249 L250R242-R246 WeakPolarHBondContact O-CB 3.27Å; R242-R246 PolarHBondContact O-N 3.44Å; L243-R246 PolarHBondContact O-N 2.91Å; L243-R246 VanDerWaalsContact O-N 3.15Å; R246-E249 WeakPolarHBondContact CD-OE2 3.27Å; R246-E249 IonicContact CZ-OE2 3.2Å; R246-E249 IonicContact NE-OE2 2.87Å; R246-E249 IonicContact NH1-OE1 3.83Å; R246-E249 PolarHBondContact NH1-OE1 2.92Å; R246-E249 IonicContact NH1-OE2 3.96Å; R246-E249 PolarHBondContact NH1-OE2 2.9Å; R246-E249 PolarHBondContact O-N 3.24Å; R246-L250 HydrophobicContact CG-CD1 4.18Å; R246-L250 VanDerWaalsContact O-CG 3.26Å; R246-L250 WeakPolarHBondContact O-CG 3.48Å; R246-L250 PolarHBondContact O-N 2.87Å
247I96.1Very high95.8Very high90 Ų90100.6 Ų100.646%0.46249%0.49SS..Hα-helixtrans-61.1-50.2172.4-69162.8000109.4L243 L244 E249 L250 E251L243-I247 VanDerWaalsContact O-CG1 3.31Å; L243-I247 WeakPolarHBondContact O-CG1 3.4Å; L243-I247 PolarHBondContact O-N 2.72Å; L244-I247 PolarHBondContact O-N 3.41Å; I247-E249 VanDerWaalsContact C-N 3.3Å; I247-E249 PolarHBondContact O-N 2.75Å; I247-L250 PolarHBondContact O-N 3.25Å; I247-L250 VanDerWaalsContact O-N 3.13Å; I247-E251 HydrophobicContact CG2-CG 4.34Å; I247-E251 WeakPolarHBondContact O-CG 3.37Å; I247-E251 PolarHBondContact O-N 3.08Å
248Q96.3Very high95.3Very high105 Ų10599.4 Ų99.449%0.49150%0.501SS..Hα-helixtrans-58.5-39.7178.1-171.4-178.421.500112.9L244 L245 E251 I252L244-Q248 PolarHBondContact O-N 3.33Å; L245-Q248 PolarHBondContact O-N 3.41Å; Q248-E251 PolarHBondContact O-N 3.39Å; Q248-I252 HydrophobicContact CG-CD1 4.35Å; Q248-I252 WeakPolarHBondContact O-CD1 3.49Å; Q248-I252 VanDerWaalsContact O-CG1 3.28Å; Q248-I252 WeakPolarHBondContact O-CG1 3.25Å; Q248-I252 PolarHBondContact O-N 3.47Å
249E96.1Very high94.6Very high82 Ų8299.5 Ų99.538%0.38351%0.505SS..Hα-helixtrans-62.1-47.7174.8-169.2-157.6155.100111.7L245 R246 I247 E251 I252 Q253L245-E249 WeakPolarHBondContact O-CB 3.42Å; L245-E249 PolarHBondContact O-N 3.01Å; R246-E249 WeakPolarHBondContact CD-OE2 3.27Å; R246-E249 IonicContact CZ-OE2 3.2Å; R246-E249 IonicContact NE-OE2 2.87Å; R246-E249 IonicContact NH1-OE1 3.83Å; R246-E249 PolarHBondContact NH1-OE1 2.92Å; R246-E249 IonicContact NH1-OE2 3.96Å; R246-E249 PolarHBondContact NH1-OE2 2.9Å; R246-E249 PolarHBondContact O-N 3.24Å; I247-E249 VanDerWaalsContact C-N 3.3Å; I247-E249 PolarHBondContact O-N 2.75Å; E249-E251 PolarHBondContact O-N 2.97Å; E249-I252 PolarHBondContact O-N 2.82Å; E249-Q253 WeakPolarHBondContact O-CG 3.39Å; E249-Q253 PolarHBondContact O-N 2.92Å; E249-Q253 PolarHBondContact OE1-NE2 3.43Å
250L95.7Very high93.3Very high77 Ų77102.1 Ų102.140%0.40352%0.518SS..Hα-helixtrans-65.1-36.9178.2-69.2169.2000112R246 I247 I252 Q253 A254R246-L250 HydrophobicContact CG-CD1 4.18Å; R246-L250 VanDerWaalsContact O-CG 3.26Å; R246-L250 WeakPolarHBondContact O-CG 3.48Å; R246-L250 PolarHBondContact O-N 2.87Å; I247-L250 PolarHBondContact O-N 3.25Å; I247-L250 VanDerWaalsContact O-N 3.13Å; L250-I252 VanDerWaalsContact C-N 3.34Å; L250-I252 PolarHBondContact O-N 3.08Å; L250-Q253 PolarHBondContact O-N 3.39Å; L250-A254 WeakPolarHBondContact O-CB 3.46Å; L250-A254 PolarHBondContact O-N 3.4Å
251E92.6Very high92Very high68 Ų68100.1 Ų100.132%0.31851%0.507SS..Hα-helixtrans-64.9-33.9172.7-73.3176.2168.400112.9I247 Q248 E249 R255I247-E251 HydrophobicContact CG2-CG 4.34Å; I247-E251 WeakPolarHBondContact O-CG 3.37Å; I247-E251 PolarHBondContact O-N 3.08Å; Q248-E251 PolarHBondContact O-N 3.39Å; E249-E251 PolarHBondContact O-N 2.97Å; E251-R255 WeakPolarHBondContact O-CB 3.14Å; E251-R255 VanDerWaalsContact O-CG 3.32Å; E251-R255 WeakPolarHBondContact O-CG 3.32Å; E251-R255 PolarHBondContact O-N 3.47Å; E251-R255 PolarHBondContact O-NE 3.4Å; E251-R255 VanDerWaalsContact O-NE 3.07Å
252I93.8Very high90.3Very high90 Ų9097.3 Ų97.346%0.46250%0.504SS..Hα-helixtrans-69.4-45.1173.2-68.9162.6000110Q248 E249 L250 R255 A256Q248-I252 HydrophobicContact CG-CD1 4.35Å; Q248-I252 WeakPolarHBondContact O-CD1 3.49Å; Q248-I252 VanDerWaalsContact O-CG1 3.28Å; Q248-I252 WeakPolarHBondContact O-CG1 3.25Å; Q248-I252 PolarHBondContact O-N 3.47Å; E249-I252 PolarHBondContact O-N 2.82Å; L250-I252 VanDerWaalsContact C-N 3.34Å; L250-I252 PolarHBondContact O-N 3.08Å; I252-R255 PolarHBondContact O-N 2.92Å; I252-A256 WeakPolarHBondContact O-CB 3.39Å; I252-A256 PolarHBondContact O-N 2.86Å
253Q95.4Very high88.4Confident81 Ų8191.5 Ų91.538%0.37949%0.49SS..Hα-helixtrans-61.2-47.6177.2-69.8171.214.600111.5E249 L250 R255 A256 H257E249-Q253 WeakPolarHBondContact O-CG 3.39Å; E249-Q253 PolarHBondContact O-N 2.92Å; E249-Q253 PolarHBondContact OE1-NE2 3.43Å; L250-Q253 PolarHBondContact O-N 3.39Å; Q253-R255 VanDerWaalsContact C-N 3.33Å; Q253-R255 PolarHBondContact O-N 3.28Å; Q253-A256 PolarHBondContact O-N 3.32Å; Q253-A256 VanDerWaalsContact O-N 3.14Å; Q253-H257 PolarHBondContact O-CD2 3.48Å; Q253-H257 PolarHBondContact O-N 3.48Å
254A91.9Very high86.2Confident34 Ų3491.6 Ų91.628%0.28150%0.495SS..Hα-helixtrans-57.5-44.1177.300000112.1L250 H257 G258 L259L250-A254 WeakPolarHBondContact O-CB 3.46Å; L250-A254 PolarHBondContact O-N 3.4Å; A254-H257 CarbonylContact O-C 3.56Å; A254-H257 PolarHBondContact O-N 2.9Å; A254-G258 PolarHBondContact O-N 3.25Å; A254-L259 HydrophobicContact CB-CB 4.29Å; A254-L259 HydrophobicContact CB-CD1 4.21Å; A254-L259 WeakPolarHBondContact O-CB 3.46Å; A254-L259 PolarHBondContact O-N 3.26Å
255R88.6Confident84Confident133 Ų13391.5 Ų91.550%0.50251%0.506SS..Hα-helixtrans-65.3-39.3175.1-75.8-178.2-69.2166.3-7112.9E251 I252 Q253 H257 G258E251-R255 WeakPolarHBondContact O-CB 3.14Å; E251-R255 VanDerWaalsContact O-CG 3.32Å; E251-R255 WeakPolarHBondContact O-CG 3.32Å; E251-R255 PolarHBondContact O-N 3.47Å; E251-R255 PolarHBondContact O-NE 3.4Å; E251-R255 VanDerWaalsContact O-NE 3.07Å; I252-R255 PolarHBondContact O-N 2.92Å; Q253-R255 VanDerWaalsContact C-N 3.33Å; Q253-R255 PolarHBondContact O-N 3.28Å; R255-H257 PolarHBondContact O-N 3.08Å; R255-G258 PolarHBondContact O-N 3.31Å
256A91.6Very high81.8Confident86 Ų8693.1 Ų93.171%0.71152%0.515SS*.Hα-helixtrans-64.1-31175.300000112.4I252 Q253 G258I252-A256 WeakPolarHBondContact O-CB 3.39Å; I252-A256 PolarHBondContact O-N 2.86Å; Q253-A256 PolarHBondContact O-N 3.32Å; Q253-A256 VanDerWaalsContact O-N 3.14Å; A256-G258 VanDerWaalsContact C-N 3.27Å; A256-G258 PolarHBondContact O-N 3.44Å
257H92.9Very high79.5Confident160 Ų16091.5 Ų91.574%0.74154%0.535SS*.THydrogen-bonded Turntrans-83.77.5171.3-70.4-66.5000114.3Q253 A254 R255Q253-H257 PolarHBondContact O-CD2 3.48Å; Q253-H257 PolarHBondContact O-N 3.48Å; A254-H257 CarbonylContact O-C 3.56Å; A254-H257 PolarHBondContact O-N 2.9Å; R255-H257 PolarHBondContact O-N 3.08Å
258G87.2Confident77.5Confident65 Ų6591.6 Ų91.667%0.6754%0.54SS*.THydrogen-bonded Turntrans84.211.2173.700000115.8A254 R255 A256A254-G258 PolarHBondContact O-N 3.25Å; R255-G258 PolarHBondContact O-N 3.31Å; A256-G258 VanDerWaalsContact C-N 3.27Å; A256-G258 PolarHBondContact O-N 3.44Å
259L82.4Confident75.6Confident111 Ų11191.6 Ų91.658%0.58155%0.547SS*.  trans-81134.5177.2-60.5176.1000111.5A254A254-L259 HydrophobicContact CB-CB 4.29Å; A254-L259 HydrophobicContact CB-CD1 4.21Å; A254-L259 WeakPolarHBondContact O-CB 3.46Å; A254-L259 PolarHBondContact O-N 3.26Å
260P71.9Confident73.4Confident100 Ų10095.7 Ų95.765%0.64957%0.566SS**  trans-70.8145.8-17925.1-31.3000113.2M262P260-M262 HydrophobicContact CB-CE 4.02Å; P260-M262 HydrophobicContact CG-CE 3.92Å; P260-M262 WeakPolarHBondContact O-CE 3.43Å; P260-M262 PolarHBondContact O-N 3.14Å; P260-M262 VanDerWaalsContact O-N 3.13Å
261N70.3Confident71.3Confident64 Ų6498.8 Ų98.834%0.34258%0.582SS.*  trans-7599.3-174.2-173.352.5000113.4A263 T264N261-A263 VanDerWaalsContact C-N 3.28Å; N261-A263 PolarHBondContact O-N 2.86Å; N261-T264 PolarHBondContact ND2-OG1 2.97Å; N261-T264 PolarHBondContact O-N 3.36Å; N261-T264 PolarHBondContact O-OG1 2.93Å
262M62.5Low69.4Low128 Ų12898.6 Ų98.663%0.63159%0.588SS**G310 helixtrans-67.5-22.5178.8-63.3-62.798.100114P260 T264 A265P260-M262 HydrophobicContact CB-CE 4.02Å; P260-M262 HydrophobicContact CG-CE 3.92Å; P260-M262 WeakPolarHBondContact O-CE 3.43Å; P260-M262 PolarHBondContact O-N 3.14Å; P260-M262 VanDerWaalsContact O-N 3.13Å; M262-T264 PolarHBondContact O-N 3.16Å; M262-T264 VanDerWaalsContact O-N 3.07Å; M262-A265 WeakPolarHBondContact O-CB 3.5Å; M262-A265 PolarHBondContact O-N 2.86Å
263A59.1Low67.5Low37 Ų3797.8 Ų97.831%0.30659%0.591SS.*G310 helixtrans-63.2-14.6178.400000114N261N261-A263 VanDerWaalsContact C-N 3.28Å; N261-A263 PolarHBondContact O-N 2.86Å
264T52.9Low65.5Low114 Ų11499.9 Ų99.970%0.69960%0.6SS**G310 helixtrans-84.5-14174.1-11.90000113.4N261 M262N261-T264 PolarHBondContact ND2-OG1 2.97Å; N261-T264 PolarHBondContact O-N 3.36Å; N261-T264 PolarHBondContact O-OG1 2.93Å; M262-T264 PolarHBondContact O-N 3.16Å; M262-T264 VanDerWaalsContact O-N 3.07Å
265A50.9Low63.7Low80 Ų80103.5 Ų103.566%0.66161%0.614SS**THydrogen-bonded Turntrans-88.5-19.9-175.200000113.6M262M262-A265 WeakPolarHBondContact O-CB 3.5Å; M262-A265 PolarHBondContact O-N 2.86Å
266L51.8Low62.2Low131 Ų131102.7 Ų102.769%0.68662%0.62SS**THydrogen-bonded Turntrans-125.8115.9170.5-73.7117.8000108.1T268L266-T268 VanDerWaalsContact C-N 3.28Å; L266-T268 PolarHBondContact O-N 3.15Å; L266-T268 PolarHBondContact O-OG1 3.49Å
267G50Low60.4Low85 Ų85106 Ų10688%0.87662%0.618SS**THydrogen-bonded Turntrans-70.370.1-170.300000114.8
268T53.4Low58.5Low93 Ų93103.6 Ų103.657%0.57161%0.607SS**  trans-101.2-8.7-173.3-41.30000113.2L266 E270L266-T268 VanDerWaalsContact C-N 3.28Å; L266-T268 PolarHBondContact O-N 3.15Å; L266-T268 PolarHBondContact O-OG1 3.49Å; T268-E270 PolarHBondContact O-N 3.08Å
269V55.8Low56.7Low104 Ų104106.8 Ų106.863%0.6360%0.604SS**Hα-helixtrans-74.9-26.8-168.1179.70000113.9L271V269-L271 PolarHBondContact O-N 3.36Å
270E50.5Low55.2Low168 Ų168108.6 Ų108.679%0.78561%0.61SS**Hα-helixtrans-67.9-35.5-177.9-75.1-172.6122.600113.2T268 S273 H274T268-E270 PolarHBondContact O-N 3.08Å; E270-S273 PolarHBondContact O-N 2.97Å; E270-S273 PolarHBondContact O-OG 3.43Å; E270-H274 PolarHBondContact O-N 3Å; E270-H274 VanDerWaalsContact O-N 3.15Å
271L52.2Low54.2Low142 Ų142111.2 Ų111.274%0.74361%0.613SS**Hα-helixtrans-65.2-46.3-176.9-100.7155.6000113.5V269 S273 H274 L275V269-L271 PolarHBondContact O-N 3.36Å; L271-S273 VanDerWaalsContact C-N 3.32Å; L271-S273 PolarHBondContact O-N 2.84Å; L271-H274 PolarHBondContact O-N 3.04Å; L271-L275 PolarHBondContact O-N 2.8Å; L271-L275 VanDerWaalsContact O-N 3.12Å
272S53.2Low53.3Low64 Ų64116.3 Ų116.345%0.44864%0.635SS.*Hα-helixtrans-66.1-34.4179.6-62.30000112.7L276S272-L276 PolarHBondContact O-N 3.38Å
273S52.9Low52.5Low74 Ų74119 Ų11952%0.51765%0.646SS.*Hα-helixtrans-70.3-35.6177.773.20000112.4E270 L271 K277E270-S273 PolarHBondContact O-N 2.97Å; E270-S273 PolarHBondContact O-OG 3.43Å; L271-S273 VanDerWaalsContact C-N 3.32Å; L271-S273 PolarHBondContact O-N 2.84Å; S273-K277 PolarHBondContact O-N 2.93Å
274H52.7Low51.9Low125 Ų125124.8 Ų124.858%0.57967%0.667SS**Hα-helixtrans-68.3-43.3175.3-167.2-88.5000111.9E270 L271 L276 K277 Q278E270-H274 PolarHBondContact O-N 3Å; E270-H274 VanDerWaalsContact O-N 3.15Å; L271-H274 PolarHBondContact O-N 3.04Å; H274-L276 PolarHBondContact O-N 3.01Å; H274-K277 PolarHBondContact O-N 3.19Å; H274-Q278 WeakPolarHBondContact O-CB 3.46Å; H274-Q278 PolarHBondContact O-N 3.41Å
275L55.2Low51.5Low110 Ų110128 Ų12858%0.57667%0.674SS**Hα-helixtrans-62.6-43.4-179.3-172.866.2000112.8L271 K277 Q278 Q279L271-L275 PolarHBondContact O-N 2.8Å; L271-L275 VanDerWaalsContact O-N 3.12Å; L275-K277 VanDerWaalsContact C-N 3.3Å; L275-K277 PolarHBondContact O-N 3.29Å; L275-Q278 PolarHBondContact O-N 3.09Å; L275-Q279 PolarHBondContact O-N 3.01Å
276L56.4Low51Low116 Ų116133.3 Ų133.361%0.60769%0.685SS**Hα-helixtrans-61.2-39.2175.1-103.970.1000112.1S272 H274 Q280S272-L276 PolarHBondContact O-N 3.38Å; H274-L276 PolarHBondContact O-N 3.01Å; L276-Q280 PolarHBondContact O-N 2.91Å
277K54.7Low50.2Low156 Ų156131.7 Ų131.768%0.67869%0.685SS**Hα-helixtrans-70.9-36.6-179.9-151.9171.3-174.3179.60111.7S273 H274 L275 Q280 Q281S273-K277 PolarHBondContact O-N 2.93Å; H274-K277 PolarHBondContact O-N 3.19Å; L275-K277 VanDerWaalsContact C-N 3.3Å; L275-K277 PolarHBondContact O-N 3.29Å; K277-Q280 PolarHBondContact O-N 3.24Å; K277-Q281 PolarHBondContact O-N 2.91Å
278Q51.6Low49.6Very low108 Ų108133.4 Ų133.451%0.50568%0.681SS.*Hα-helixtrans-66.4-40.9175.1-168.5173.240.400112.2H274 L275 Q280 Q281H274-Q278 WeakPolarHBondContact O-CB 3.46Å; H274-Q278 PolarHBondContact O-N 3.41Å; L275-Q278 PolarHBondContact O-N 3.09Å; Q278-Q280 PolarHBondContact O-N 3.36Å; Q278-Q281 PolarHBondContact O-N 2.79Å
279Q50.3Low49Very low133 Ų133135 Ų13562%0.62169%0.693SS**Hα-helixtrans-67.1-34.9177.1-168.7176.375.700112.4L275 Q281L275-Q279 PolarHBondContact O-N 3.01Å; Q279-Q281 VanDerWaalsContact C-N 3.31Å; Q279-Q281 PolarHBondContact O-N 2.9Å
280Q51.6Low48.1Very low148 Ų148139.2 Ų139.269%0.69271%0.705SS**Hα-helixtrans-70.9-25.6178.3-165.3166.251.500113.1L276 K277 Q278 Q282 Q283L276-Q280 PolarHBondContact O-N 2.91Å; K277-Q280 PolarHBondContact O-N 3.24Å; Q278-Q280 PolarHBondContact O-N 3.36Å; Q280-Q282 PolarHBondContact O-N 3.17Å; Q280-Q283 PolarHBondContact O-N 3.49Å
281Q50.6Low47.3Very low156 Ų156138.5 Ų138.573%0.72971%0.712SS**Hα-helixtrans-76.9-20.6-174.7-148.8170.725.800114.1K277 Q278 Q279 Q283K277-Q281 PolarHBondContact O-N 2.91Å; Q278-Q281 PolarHBondContact O-N 2.79Å; Q279-Q281 VanDerWaalsContact C-N 3.31Å; Q279-Q281 PolarHBondContact O-N 2.9Å; Q281-Q283 VanDerWaalsContact C-N 3.3Å; Q281-Q283 PolarHBondContact O-N 2.77Å
282Q50.2Low46.6Very low171 Ų171140.6 Ų140.680%0.79972%0.718SS**THydrogen-bonded Turntrans-75.4-15175.5-73.2-172.7-0.400113.9Q280Q280-Q282 PolarHBondContact O-N 3.17Å
283Q47Very low45.7Very low184 Ų184146.9 Ų146.986%0.8674%0.74SS**THydrogen-bonded Turntrans-99.83.6-170.6-146.8163.789.200114.4Q280 Q281Q280-Q283 PolarHBondContact O-N 3.49Å; Q281-Q283 VanDerWaalsContact C-N 3.3Å; Q281-Q283 PolarHBondContact O-N 2.77Å
284Q45.2Very low44.9Very low158 Ų158152.7 Ų152.774%0.73876%0.759SS**  trans-118.514.5-171.1-149166.783.600115.2Q286Q284-Q286 VanDerWaalsContact C-N 3.27Å; Q284-Q286 PolarHBondContact O-N 3.1Å; Q284-Q286 VanDerWaalsContact O-N 3.15Å
285Q44.2Very low43.9Very low182 Ų182155.5 Ų155.585%0.8577%0.773SS**  trans-85.355.1171.4-72-173.126.300113.1
286Q40.8Very low43.1Very low191 Ų191156.1 Ų156.189%0.89378%0.784SS**  trans-142.763.9165.1-71.7-163.7500111.7Q284Q284-Q286 VanDerWaalsContact C-N 3.27Å; Q284-Q286 PolarHBondContact O-N 3.1Å; Q284-Q286 VanDerWaalsContact O-N 3.15Å
287S36.5Very low42Very low98 Ų98159.8 Ų159.869%0.68580%0.797SS**  trans-145.3130.5167.7-65.20000109.4
288P36.7Very low41.1Very low121 Ų121161 Ų16179%0.78681%0.806SS**PPolyproline II helixtrans-75.5137.717930-33.5000111.2
289P40Very low40.3Very low127 Ų127161.5 Ų161.583%0.82582%0.818SS**PPolyproline II helixtrans-74.7133.4176.529.6-33.1000111.3
290Q37.4Very low39.6Very low192 Ų192161.3 Ų161.390%0.89783%0.828SS**PPolyproline II helixtrans-77.2132.9164.2-70.4-163-3.100109.9Q292Q290-Q292 PolarHBondContact O-N 3.16Å
291V33.4Very low38.7Very low153 Ų153162.1 Ų162.193%0.92784%0.836SS**  trans-77.7115.6172.8-89.60000110.3
292Q37.2Very low37.6Very low186 Ų186164.6 Ų164.687%0.86984%0.84SS**  trans-108.2122.4168.5-163.8161.41500109.1Q290Q290-Q292 PolarHBondContact O-N 3.16Å
293Q36Very low36.5Very low195 Ų195165.5 Ų165.591%0.91184%0.844SS**  trans-66135.3-177.1-67.9174.1-3.400111
294Q34.8Very low35.8Very low196 Ų196163.8 Ų163.892%0.91684%0.836SS**  trans-120.6141.3163.8-75-172-0.400110.4
295Q31.9Very low35.1Very low184 Ų184162.7 Ų162.786%0.8684%0.835SS**  trans-97.8141.1-176.7-162.8173.832.200108.7
296P37.7Very low35.3Very low124 Ų124158.2 Ų158.281%0.80582%0.822SS**  trans-75.6136.2-172.629.1-34.6000112.6
297Q34.7Very low34.8Very low192 Ų192156.9 Ų156.990%0.89782%0.821SS**  trans-120.9157161.9-71.5-1533.500111.5
298Q36.4Very low35.2Very low183 Ų183155.8 Ų155.886%0.85583%0.826SS**PPolyproline II helixtrans-79.9160.3-164.5-71.4177.8-12.700113.8
299P33.1Very low35.2Very low118 Ų118157 Ų15777%0.76683%0.825SS**PPolyproline II helixtrans-73.7142.3179.930.3-35.7000112.7
300P36.9Very low35Very low129 Ų129160.8 Ų160.884%0.83882%0.824SS**PPolyproline II helixtrans-69.3145.3170.1-19.433.2000113.2
301I31.1Very low35.2Very low164 Ų164160.1 Ų160.184%0.84183%0.826SS**PPolyproline II helixtrans-70.5144.5178.2-70.1-73.2000111.5
302Y27.7Very low35.3Very low209 Ų209159.4 Ų159.482%0.8281%0.813SS**PPolyproline II helixtrans-64.4142.7170-101-101.2000112.4
303Q28.9Very low35.2Very low189 Ų189160.8 Ų160.888%0.88381%0.81SS**  trans-144.4108.9159.8-170.2149.111.400111.2
304E30.9Very low35.4Very low149 Ų149159.9 Ų159.970%0.69681%0.81SS**  trans-64.5159.9160.9-51.2-89.8102.600108.2
305D31.5Very low35.4Very low134 Ų134153.8 Ų153.872%0.71779%0.793SS**  cis-169.7-159.929.9-160.914.6000106.6
306P47.3Very low35.4Very low88 Ų88151.4 Ų151.457%0.57179%0.79SS**  -105.7169.9-6418.31.7000112.5
307N30.4Very low35.2Very low163 Ų163152 Ų15287%0.87279%0.792SS**  trans157.6111.2134.1-87.7-66.6000109.6
308G45.8Very low35.1Very low76 Ų76149.4 Ų149.478%0.78479%0.789SS**  trans-92127.5179.600000112.3
309D35.7Very low34.8Very low146 Ų146143.8 Ų143.878%0.78178%0.78SS**  trans-163.374.4167.5-115.1-27.4000111.4
310Y35.4Very low34.7Very low206 Ų206145.3 Ų145.381%0.80879%0.787SS**  trans-140.33.8175.8-117.8-86.8000117
311L43Very low34.7Very low178 Ų178144.3 Ų144.393%0.93278%0.781SS**SBendtrans-107.531.2174-77178.3000113.8
312Q34.1Very low34.6Very low139 Ų139141.6 Ų141.665%0.6578%0.776SS**  trans-132.823.4-178.9-155.757.363.700114.7
313R37.1Very low34.7Very low214 Ų214139 Ų13981%0.80877%0.774SS**SBendtrans-113.311.6-178.9-148.5-167.4-80.6-115.3-0.3116.3
314I38.3Very low34.8Very low177 Ų177134.5 Ų134.591%0.90877%0.77SS**SBendtrans-13133.1174-36-178.5000111.3
315A36.2Very low34.8Very low67 Ų67134.1 Ų134.155%0.55478%0.778SS**  trans-145.963.2-178.200000112.7
316V30.8Very low35.1Very low134 Ų134132 Ų13281%0.81278%0.779SS**  trans-141.2139163177.80000107.4
317V34Very low34.3Very low138 Ų138133.8 Ų133.884%0.83679%0.794SS**SBendtrans71.796.1-160.5-171.40000110.4
318T32.7Very low34.1Very low137 Ų137129.4 Ų129.484%0.8479%0.787SS**  cis-134.1170.415.151.50000108.9
319G29.7Very low34.4Very low65 Ų65131.6 Ų131.667%0.6779%0.787SS**  cis136.48411.200000110.9
320V31.9Very low34Very low149 Ų149132.5 Ų132.590%0.90379%0.787SS**  trans83.4146.8162.4-177.60000116.8
321P36.9Very low33.7Very low109 Ų109129.1 Ų129.171%0.70878%0.783SS**  trans-121.7-162.7-148.245.8-34.5000116.3
322S28.1Very low33.1Very low106 Ų106129.9 Ų129.974%0.74178%0.781SS**  trans83.9150169.7-62.90000116.1
323I30.1Very low32.9Very low154 Ų154131.3 Ų131.379%0.7979%0.791SS**  cis-151.31630.5-119157.9000108.7
324A32Very low32.7Very low95 Ų95130.4 Ų130.479%0.78580%0.797SS**  trans-95.3132.3174.100000113.2
325T30.2Very low32.3Very low141 Ų141125.2 Ų125.287%0.86579%0.787SS**  trans-152.7154.4157.838.70000111.2
326A37Very low32.1Very low91 Ų91126.4 Ų126.475%0.75280%0.796SS**  trans-98.3-175.8-168.100000114.9
327S31.3Very low32Very low124 Ų124127.7 Ų127.787%0.86780%0.799SS**  trans83.3134.3168.672.20000118.8
328G26Very low31.9Very low71 Ų71125.7 Ų125.773%0.73280%0.797SS**  trans-105.8-154.8158.700000110
329P51.4Low32.3Very low122 Ų122124.5 Ų124.579%0.79279%0.793SS**  cis-134.3-163.34.736.7-14.7000114.4
330Q28.2Very low32.6Very low166 Ų166128 Ų12878%0.77680%0.802SS**  trans93.7115.8162.6-66.5-163.2-9300121.9
331D28.6Very low32.9Very low135 Ų135126.6 Ų126.672%0.72279%0.793SS**  72.4142.7126.2-66.3-46.2000125.5
332H29.9Very low32.9Very low194 Ų194131.3 Ų131.390%0.89880%0.803SS**  trans81.7123.5165.4-114.526.7000119.3
333I30.4Very low33.3Very low168 Ų168131.1 Ų131.186%0.86280%0.801SS**  trans-123.2131.4179.4-70.3-178.8000109.2
334Q32.5Very low34Very low196 Ų196129 Ų12992%0.91679%0.792SS**  trans-152.6128.2151.2-165.8167.335.300111.3
335G30.7Very low35.1Very low68 Ų68130 Ų13070%0.70179%0.79SS**  trans95.6104.8150.300000119.1
336A32Very low36.1Very low91 Ų91129.3 Ų129.375%0.75278%0.781SS**  trans79.4130143.300000121.7
337D29.2Very low36.8Very low161 Ų161128.1 Ų128.186%0.86177%0.767SS**  trans81.2133.9145.9-57.9-16.5000123.7
338A31.3Very low37.8Very low96 Ų96129.4 Ų129.479%0.79376%0.759SS**  trans7693.6158.500000120.7
339C41.8Very low39Very low112 Ų112132.7 Ų132.776%0.75775%0.753SS**  71.385.9122.4-151.60000120.1
340T35.3Very low39.3Very low140 Ų140131.1 Ų131.186%0.85974%0.741SS**  trans-141.174.8132.251.80000109.3F342T340-F342 PolarHBondContact O-N 3.43Å
341T38.9Very low40.3Very low118 Ų118128 Ų12872%0.72473%0.73SS**  trans-70.398177-42.80000109.4S343T341-S343 PolarHBondContact O-N 2.83Å; T341-S343 VanDerWaalsContact O-N 3.08Å
342F35.5Very low41.5Very low209 Ų209127.6 Ų127.692%0.91772%0.722SS**  trans-68103.3164.9-139.1-92.8000106.7T340 D344T340-F342 PolarHBondContact O-N 3.43Å; F342-D344 PolarHBondContact O-N 3.11Å; F342-D344 VanDerWaalsContact O-N 3.08Å
343S36.8Very low42.5Very low101 Ų101123.8 Ų123.871%0.70670%0.703SS**  trans-66.3108.9-171.6-57.40000111.6T341 P345T341-S343 PolarHBondContact O-N 2.83Å; T341-S343 VanDerWaalsContact O-N 3.08Å; S343-P345 WeakPolarHBondContact O-CD 3.17Å
344D44.8Very low43.5Very low110 Ų110120.2 Ų120.259%0.58869%0.689SS**  trans-70122.2164.9-175.66.7000109F342 L346 S347F342-D344 PolarHBondContact O-N 3.11Å; F342-D344 VanDerWaalsContact O-N 3.08Å; D344-L346 PolarHBondContact O-N 3.29Å; D344-S347 PolarHBondContact O-N 2.82Å; D344-S347 VanDerWaalsContact O-N 3.14Å
345P55.3Low44.4Very low117 Ų117113.7 Ų113.776%0.7667%0.669SS**THydrogen-bonded Turntrans-57.5-13.2-173.7-28.736.5000116.3S343S343-P345 WeakPolarHBondContact O-CD 3.17Å
346L51.7Low45.4Very low126 Ų126113.4 Ų113.466%0.6665%0.654SS**THydrogen-bonded Turntrans-89.3-18179.4-92.567.6000114.8D344 H348 F349D344-L346 PolarHBondContact O-N 3.29Å; L346-H348 VanDerWaalsContact C-N 3.3Å; L346-H348 PolarHBondContact O-N 3.13Å; L346-F349 WeakPolarHBondContact O-CB 3.44Å; L346-F349 PolarHBondContact O-N 2.74Å; L346-F349 VanDerWaalsContact O-N 3.1Å
347S50.8Low46.3Very low66 Ų66115.9 Ų115.946%0.46265%0.654SS.*Hα-helixtrans-59.8-40.4-174-165.50000112.7D344 F349 T350 D351D344-S347 PolarHBondContact O-N 2.82Å; D344-S347 VanDerWaalsContact O-N 3.14Å; S347-F349 PolarHBondContact O-N 3.03Å; S347-F349 VanDerWaalsContact O-N 3.12Å; S347-T350 PolarHBondContact O-N 3.47Å; S347-T350 VanDerWaalsContact O-N 3.09Å; S347-D351 PolarHBondContact O-N 3.39Å
348H53.6Low47.2Very low151 Ų151116.2 Ų116.270%0.69965%0.647SS**Hα-helixtrans-60.9-23.1-179.6-168.7-55.6000113.3L346L346-H348 VanDerWaalsContact C-N 3.3Å; L346-H348 PolarHBondContact O-N 3.13Å
349F50.1Low47.8Very low139 Ų139117.5 Ų117.561%0.6164%0.637SS**Hα-helixtrans-71.5-42.3176.4-167-101.8000111.1L346 S347 F352 F353L346-F349 WeakPolarHBondContact O-CB 3.44Å; L346-F349 PolarHBondContact O-N 2.74Å; L346-F349 VanDerWaalsContact O-N 3.1Å; S347-F349 PolarHBondContact O-N 3.03Å; S347-F349 VanDerWaalsContact O-N 3.12Å; F349-F352 PolarHBondContact O-N 3.14Å; F349-F353 HydrophobicContact CD1-CD2 4.24Å; F349-F353 HydrophobicContact CD1-CE2 4.02Å; F349-F353 HydrophobicContact CD2-CE2 4.39Å; F349-F353 HydrophobicContact CE1-CD2 4.04Å; F349-F353 AromaticContact CE1-CE2 3.45Å; F349-F353 HydrophobicContact CE1-CE2 3.45Å; F349-F353 VanDerWaalsContact CE1-CE2 3.45Å; F349-F353 HydrophobicContact CE1-CZ 4.2Å; F349-F353 AromaticContact CE2-CE2 3.87Å; F349-F353 HydrophobicContact CE2-CE2 3.87Å; F349-F353 HydrophobicContact CG-CE2 4.47Å; F349-F353 HydrophobicContact CZ-CD2 4.35Å; F349-F353 AromaticContact CZ-CE2 3.38Å; F349-F353 HydrophobicContact CZ-CE2 3.38Å; F349-F353 AromaticContact CZ-CZ 3.96Å; F349-F353 HydrophobicContact CZ-CZ 3.96Å; F349-F353 WeakPolarHBondContact O-CD2 3.44Å
350T58.2Low48Very low89 Ų89119.6 Ų119.655%0.54664%0.636SS.*Hα-helixtrans-69.6-39-174.8-29.10000112.5S347 F352 T354S347-T350 PolarHBondContact O-N 3.47Å; S347-T350 VanDerWaalsContact O-N 3.09Å; T350-F352 VanDerWaalsContact C-N 3.34Å; T350-F352 PolarHBondContact O-N 3.34Å; T350-T354 PolarHBondContact O-N 2.85Å; T350-T354 PolarHBondContact O-OG1 3.08Å
351D48.5Very low48.3Very low101 Ų101119.9 Ų119.954%0.5463%0.632SS.*Hα-helixtrans-67.7-34.1178.7-63.1-40.4000112S347 T354 A355S347-D351 PolarHBondContact O-N 3.39Å; D351-T354 PolarHBondContact O-N 3.1Å; D351-A355 PolarHBondContact O-N 3.37Å
352F54Low48.4Very low126 Ų126120.8 Ų120.855%0.55363%0.628SS**Hα-helixtrans-63.2-43.7177.7-177.1-100.6000113F349 T350 T354 A355 T356F349-F352 PolarHBondContact O-N 3.14Å; T350-F352 VanDerWaalsContact C-N 3.34Å; T350-F352 PolarHBondContact O-N 3.34Å; F352-T354 VanDerWaalsContact C-N 3.26Å; F352-T354 PolarHBondContact O-N 3.49Å; F352-A355 PolarHBondContact O-N 3.33Å; F352-T356 HydrophobicContact CE1-CG2 4.29Å; F352-T356 HydrophobicContact CE2-CG2 4.27Å; F352-T356 HydrophobicContact CZ-CG2 4.09Å; F352-T356 WeakPolarHBondContact O-CG2 3.36Å; F352-T356 PolarHBondContact O-N 3.45Å; F352-T356 PolarHBondContact O-OG1 3.47Å; F352-T356 VanDerWaalsContact O-OG1 3.08Å
353F50.7Low48.9Very low114 Ų114116.4 Ų116.450%0.561%0.613SS.*Hα-helixtrans-66.2-29.6174.5-81.9-95.5000112.7F349 T356F349-F353 HydrophobicContact CD1-CD2 4.24Å; F349-F353 HydrophobicContact CD1-CE2 4.02Å; F349-F353 HydrophobicContact CD2-CE2 4.39Å; F349-F353 HydrophobicContact CE1-CD2 4.04Å; F349-F353 AromaticContact CE1-CE2 3.45Å; F349-F353 HydrophobicContact CE1-CE2 3.45Å; F349-F353 VanDerWaalsContact CE1-CE2 3.45Å; F349-F353 HydrophobicContact CE1-CZ 4.2Å; F349-F353 AromaticContact CE2-CE2 3.87Å; F349-F353 HydrophobicContact CE2-CE2 3.87Å; F349-F353 HydrophobicContact CG-CE2 4.47Å; F349-F353 HydrophobicContact CZ-CD2 4.35Å; F349-F353 AromaticContact CZ-CE2 3.38Å; F349-F353 HydrophobicContact CZ-CE2 3.38Å; F349-F353 AromaticContact CZ-CZ 3.96Å; F349-F353 HydrophobicContact CZ-CZ 3.96Å; F349-F353 WeakPolarHBondContact O-CD2 3.44Å; F353-T356 PolarHBondContact O-OG1 2.82Å
354T50.9Low49.1Very low94 Ų94119.1 Ų119.158%0.57762%0.62SS**Hα-helixtrans-79.7-32.4-178.7-51.50000111.9T350 D351 F352T350-T354 PolarHBondContact O-N 2.85Å; T350-T354 PolarHBondContact O-OG1 3.08Å; D351-T354 PolarHBondContact O-N 3.1Å; F352-T354 VanDerWaalsContact C-N 3.26Å; F352-T354 PolarHBondContact O-N 3.49Å
355A52.3Low48.9Very low58 Ų58122.4 Ų122.448%0.47963%0.632SS.*Hα-helixtrans-72.8-47.7176.100000112.7D351 F352 L357 K358 E359D351-A355 PolarHBondContact O-N 3.37Å; F352-A355 PolarHBondContact O-N 3.33Å; A355-L357 VanDerWaalsContact C-N 3.31Å; A355-L357 PolarHBondContact O-N 3.44Å; A355-K358 PolarHBondContact O-N 2.85Å; A355-E359 PolarHBondContact O-N 3.21Å
356T51.4Low48.3Very low63 Ų63122.9 Ų122.939%0.38763%0.627SS.*Hα-helixtrans-62.4-33.8-173.348.70000113.6F352 F353 K358F352-T356 HydrophobicContact CE1-CG2 4.29Å; F352-T356 HydrophobicContact CE2-CG2 4.27Å; F352-T356 HydrophobicContact CZ-CG2 4.09Å; F352-T356 WeakPolarHBondContact O-CG2 3.36Å; F352-T356 PolarHBondContact O-N 3.45Å; F352-T356 PolarHBondContact O-OG1 3.47Å; F352-T356 VanDerWaalsContact O-OG1 3.08Å; F353-T356 PolarHBondContact O-OG1 2.82Å; T356-K358 PolarHBondContact O-N 3.35Å
357L51.4Low47.8Very low143 Ų143123.5 Ų123.575%0.74963%0.63SS**Hα-helixtrans-71.3-10.8175.6-73.5174.3000114.7A355A355-L357 VanDerWaalsContact C-N 3.31Å; A355-L357 PolarHBondContact O-N 3.44Å
358K47.3Very low47.4Very low168 Ų168128.2 Ų128.273%0.7365%0.647SS**Hα-helixtrans-108.7-14-174.9-150177.6-177.2-1750113.6A355 T356A355-K358 PolarHBondContact O-N 2.85Å; T356-K358 PolarHBondContact O-N 3.35Å
359E45.3Very low46.8Very low123 Ų123128.1 Ų128.158%0.57565%0.651SS**Hα-helixtrans-97.5-27.9-174.9-158.3168.9-145.400113.5A355 N361 Q362A355-E359 PolarHBondContact O-N 3.21Å; E359-N361 PolarHBondContact O-N 3.3Å; E359-N361 VanDerWaalsContact O-N 3.15Å; E359-Q362 PolarHBondContact O-N 3.15Å; E359-Q362 VanDerWaalsContact O-N 3.17Å
360E45.1Very low46.3Very low156 Ų156128.7 Ų128.773%0.72966%0.66SS**G310 helixtrans-59.1-29177.7-75.1-151.8120.600113.5Q362E360-Q362 VanDerWaalsContact C-N 3.32Å; E360-Q362 PolarHBondContact O-N 2.95Å
361N42.3Very low45.5Very low145 Ų145129.9 Ų129.978%0.77567%0.67SS**G310 helixtrans-76.5-7.3-179.6-82.585.6000115.5E359E359-N361 PolarHBondContact O-N 3.3Å; E359-N361 VanDerWaalsContact O-N 3.15Å
362Q40.3Very low44.9Very low137 Ų137133.3 Ų133.364%0.6469%0.687SS**G310 helixtrans-110.7-10-177.1-75-179.697.400114.4E359 E360E359-Q362 PolarHBondContact O-N 3.15Å; E359-Q362 VanDerWaalsContact O-N 3.17Å; E360-Q362 VanDerWaalsContact C-N 3.32Å; E360-Q362 PolarHBondContact O-N 2.95Å
363L45.3Very low44.3Very low117 Ų117132.6 Ų132.661%0.61370%0.698SS**SBendtrans-93.1-11.5-175.5-64.3177.2000114.1
364D42.5Very low44.1Very low158 Ų158132.5 Ų132.585%0.84571%0.709SS**THydrogen-bonded Turntrans-82.7-11-178-136.431.7000113.3
365E39.2Very low43.3Very low179 Ų179137.9 Ų137.984%0.83673%0.725SS**THydrogen-bonded Turntrans-96.7-4.9-176.4-155.8175.4-174.200113.8
366I43.4Very low42.7Very low128 Ų128138.7 Ų138.766%0.65674%0.739SS**  trans-103.7-9.4-169.4-58178.2000113M368I366-M368 PolarHBondContact O-N 3.5Å; I366-M368 VanDerWaalsContact O-N 3.12Å
367L40.6Very low41.9Very low139 Ų139142.4 Ų142.473%0.72876%0.761SS**  trans-82.893.8-177.7-167.862.5000111.9D369L367-D369 PolarHBondContact O-N 3.27Å
368M42.3Very low41.1Very low165 Ų165142.5 Ų142.581%0.81376%0.762SS**  trans-72110.6172-68.4-79.693.500111.6I366 D370I366-M368 PolarHBondContact O-N 3.5Å; I366-M368 VanDerWaalsContact O-N 3.12Å; M368-D370 PolarHBondContact O-N 3.27Å
369D41.5Very low41Very low149 Ų149140.2 Ų140.280%0.79777%0.765SS**  trans-83.198.2170.2-76.5-41.6000111.4L367L367-D369 PolarHBondContact O-N 3.27Å
370D40.2Very low41.1Very low150 Ų150141.5 Ų141.580%0.80278%0.775SS**  trans-161.3136.6150-131-3.4000112.5M368 L372M368-D370 PolarHBondContact O-N 3.27Å; D370-L372 PolarHBondContact O-N 3.07Å
371P40.4Very low40.8Very low114 Ų114142 Ų14274%0.7478%0.782SS**  trans-93.6102.9-172.534.5-30.9000113.3S373P371-S373 PolarHBondContact O-N 3.06Å; P371-S373 VanDerWaalsContact O-N 3.13Å
372L37.1Very low40.4Very low173 Ų173141.2 Ų141.291%0.90679%0.788SS**  trans-74.7101.1171.8-65.8179.9000112D370D370-L372 PolarHBondContact O-N 3.07Å
373S39.8Very low40.4Very low112 Ų112139.9 Ų139.978%0.78380%0.8SS**  trans-81.3124.7172.3-175.90000111.6P371P371-S373 PolarHBondContact O-N 3.06Å; P371-S373 VanDerWaalsContact O-N 3.13Å
374P46.6Very low39.7Very low111 Ų111138.3 Ų138.372%0.72181%0.812SS**  trans-102.182.6-173.737.6-33000113.5
375F35.2Very low39.2Very low208 Ų208136.3 Ų136.391%0.91281%0.81SS**  trans-145121.3154-93.3-77.2000109.2
376G39.2Very low39.9Very low75 Ų75133.2 Ų133.277%0.77381%0.806SS**  trans-99.6153.8-169.900000114.7
377T35Very low39.4Very low140 Ų140131 Ų13186%0.85981%0.814SS**  trans-143.8112161.444.80000109.9
378D34.3Very low39.3Very low145 Ų145129.6 Ų129.678%0.77582%0.822SS**  trans31.6123.2150.2-134.5-18.9000121.6
379P46.2Very low39.4Very low120 Ų120126.3 Ų126.378%0.77982%0.822SS**SBendtrans-10251.8-177.241.2-36.2000114.8
380L45.8Very low39.2Very low151 Ų151125.3 Ų125.379%0.79183%0.826SS**  trans-141149.5164.7-71.8178.7000110.9
381L38.6Very low39.7Very low167 Ų167127.8 Ų127.887%0.87483%0.83SS**  trans81.777.8179.7-48.1179.2000117.7
382S35.7Very low39.3Very low128 Ų128129.6 Ų129.690%0.89583%0.834SS**  -173.3123.1108.9-85.60000112.9
383A38.9Very low39.4Very low108 Ų108125.2 Ų125.289%0.89382%0.817SS**  trans-93.9142.616500000109.6
384G30.4Very low39.3Very low84 Ų84124.4 Ų124.487%0.86681%0.812SS**  trans176.164.2-177.900000115.4
385S32.1Very low39Very low117 Ų117129.2 Ų129.282%0.81882%0.816SS**  trans-85.4172.8161.2-140.60000109.3
386P53.6Low39.4Very low114 Ų114129.7 Ų129.774%0.7481%0.811SS**  cis-139169-0.441-23.3000116.8
387G33.3Very low39.6Very low80 Ų80132 Ų13283%0.82582%0.815SS**  trans40.9135.6135.600000124.4
388A39.6Very low40.1Very low110 Ų110130.1 Ų130.191%0.90981%0.808SS**  trans-161.8133.8136.200000111.2
389A44.1Very low40.2Very low97 Ų97133 Ų13380%0.80281%0.814SS**  trans-100.6144.5163.300000109.2
390S36.8Very low39.9Very low127 Ų127130.5 Ų130.589%0.88880%0.799SS**  trans-158.8132.4159-96.90000112
391K50.4Low40Very low202 Ų202128.1 Ų128.188%0.87880%0.796SS**  trans-90.4149.4156.1-64.1171.2175.2175.90107.5
392D33.8Very low40.4Very low153 Ų153124.3 Ų124.382%0.81879%0.788SS**  169.6153119.6-168.835.1000113
393S38.2Very low40.9Very low80 Ų80127 Ų12756%0.55979%0.787SS**  trans40.5127.2148.4-171.40000121.9
394S37.3Very low41.4Very low96 Ų96126.6 Ų126.667%0.67178%0.783SS**  176.9118.485.6-164.40000116.1
395R40.9Very low42.6Very low212 Ų212129.4 Ų129.480%0.878%0.778SS**  trans38.3127.2134.3-57.2178.9170-130.1-6.1123
396R43.9Very low43.6Very low218 Ų218130.4 Ų130.482%0.82378%0.775SS**  trans63.2118.5131.7-77.1179.5154.8-113.7-0.1121
397S41.9Very low43.4Very low122 Ų122136 Ų13685%0.85380%0.797SS**  -147.3163.5118.763.50000109.9
398S45.8Very low43.9Very low101 Ų101138.9 Ų138.971%0.70680%0.796SS**  trans-140.5176.4-168.1-54.30000111.9
399F37.3Very low44.1Very low205 Ų205140.4 Ų140.490%0.89979%0.79SS**  trans88.4141.3168.7-146.8-126.9000114.7
400S39.4Very low44.1Very low68 Ų68142.8 Ų142.848%0.47679%0.789SS.*  cis-154.9159.816.9-161.20000114.6
401S47.8Very low44.6Very low102 Ų102143.7 Ų143.771%0.71378%0.783SS**  trans61.7124.7146.2-68.20000119.9
402A47.4Very low44.2Very low87 Ų87140.1 Ų140.172%0.71978%0.777SS**  cis59.5129.131.100000113
403E45.9Very low44.9Very low185 Ų185139.2 Ų139.286%0.86478%0.775SS**  cis-157.5157.715.1-116.4165.5131.900108.3
404A48.8Very low45.4Very low99 Ų99143.4 Ų143.482%0.81879%0.79SS**  trans-174.3112.4148.200000111
405D56.2Low46Very low143 Ų143147.1 Ų147.177%0.76580%0.799SS**  trans-58.4170.1151.3-68.3-60.3000109.7
406D54.1Low46.4Very low138 Ų138141.7 Ų141.774%0.73880%0.799SS**  cis-169.6168.439.2-155-13000111
407L48.3Very low46.6Very low232 Ų232134.7 Ų134.7100%1.21580%0.797SS**  trans72.60167.2-56.8172.4000119.7

Retrieved 407 of 407 residues in 133.7 ms (Link to these results)