A0A5K4F3T5_SCHMA Loading...

C1q domain-containing protein

AlphaFold DB , UniProt , Accession A0A5K4F3T5, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 415 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
1M57.4Low70.5Confident218 Ų218132.2 Ų132.2100%1.07462%0.62SS**  0-56.40-81-177.3164.900114.5Y3 N4M1-Y3 VanDerWaalsContact C-N 3.3Å; M1-Y3 PolarHBondContact O-N 3.29Å; M1-N4 PolarHBondContact O-N 3.2Å
2K57.7Low71.4Confident179 Ų179132.8 Ų132.878%0.77862%0.62SS**Hα-helixtrans-53.5-38.3-176.4-71.3-174.7176.9-178.90115.1N4 L5K2-N4 PolarHBondContact O-N 3.23Å; K2-L5 PolarHBondContact O-N 3.04Å
3Y61.1Low72.3Confident206 Ų206129.6 Ų129.681%0.80861%0.608SS**Hα-helixtrans-61.3-35.6179.8-70.7-79.4000114.9M1 L5 Y6 F7M1-Y3 VanDerWaalsContact C-N 3.3Å; M1-Y3 PolarHBondContact O-N 3.29Å; Y3-L5 PolarHBondContact O-N 3.17Å; Y3-Y6 PolarHBondContact O-N 3.15Å; Y3-F7 PolarHBondContact O-N 3.39Å
4N69Low73.1Confident122 Ų122126.7 Ų126.765%0.65260%0.598SS**Hα-helixtrans-63.7-31.3178.4-800.5000112.3M1 K2 F7 T8M1-N4 PolarHBondContact O-N 3.2Å; K2-N4 PolarHBondContact O-N 3.23Å; N4-F7 PolarHBondContact O-N 3.33Å; N4-T8 WeakPolarHBondContact O-CG2 3.35Å; N4-T8 PolarHBondContact O-N 3.04Å; N4-T8 PolarHBondContact O-OG1 3.46Å
5L68.7Low73.7Confident120 Ų120125.3 Ų125.363%0.62859%0.591SS**Hα-helixtrans-71.1-40.8-179.9-152.478.7000111.8K2 Y3 T8 Q9K2-L5 PolarHBondContact O-N 3.04Å; Y3-L5 PolarHBondContact O-N 3.17Å; L5-T8 PolarHBondContact O-OG1 3.4Å; L5-Q9 WeakPolarHBondContact O-CG 3.45Å; L5-Q9 PolarHBondContact O-N 3.04Å; L5-Q9 VanDerWaalsContact O-N 3.15Å
6Y71.4Confident74.3Confident167 Ų167122.7 Ų122.766%0.65559%0.586SS**Hα-helixtrans-66.7-38.2173.4-75.7-75.1000112Y3 Q9 L10Y3-Y6 PolarHBondContact O-N 3.15Å; Y6-Q9 PolarHBondContact O-N 2.94Å; Y6-L10 WeakPolarHBondContact O-CB 3.45Å; Y6-L10 PolarHBondContact O-N 2.95Å
7F73.2Confident74.7Confident100 Ų100119.9 Ų119.944%0.43957%0.574SS.*Hα-helixtrans-65.3-43.7179-165.4-107.1000112Y3 N4 L10 I11 Y407Y3-F7 PolarHBondContact O-N 3.39Å; N4-F7 PolarHBondContact O-N 3.33Å; F7-L10 PolarHBondContact O-N 3.29Å; F7-I11 HydrophobicContact CD1-CD1 3.73Å; F7-I11 HydrophobicContact CE1-CD1 3.55Å; F7-I11 HydrophobicContact CZ-CD1 4.19Å; F7-I11 WeakPolarHBondContact O-CG1 3.47Å; F7-I11 PolarHBondContact O-N 3.37Å; F7-I11 VanDerWaalsContact O-N 3.13Å; F7-Y407 WeakPolarHBondContact CZ-OH 3.46Å
8T77.8Confident74.9Confident72 Ų72118.8 Ų118.844%0.44257%0.571SS.*Hα-helixtrans-65.4-40175540000112.2N4 L5 I11 F12N4-T8 WeakPolarHBondContact O-CG2 3.35Å; N4-T8 PolarHBondContact O-N 3.04Å; N4-T8 PolarHBondContact O-OG1 3.46Å; L5-T8 PolarHBondContact O-OG1 3.4Å; T8-I11 PolarHBondContact O-N 3.22Å; T8-F12 WeakPolarHBondContact O-CD2 3.4Å; T8-F12 PolarHBondContact O-N 2.98Å; T8-F12 VanDerWaalsContact O-N 3.13Å
9Q77Confident75.3Confident111 Ų111117.8 Ų117.852%0.51957%0.568SS.*Hα-helixtrans-61.7-43.2174.3-76.9-173.9-20.100112.6L5 Y6 I11 F12 I13L5-Q9 WeakPolarHBondContact O-CG 3.45Å; L5-Q9 PolarHBondContact O-N 3.04Å; L5-Q9 VanDerWaalsContact O-N 3.15Å; Y6-Q9 PolarHBondContact O-N 2.94Å; Q9-I11 VanDerWaalsContact C-N 3.34Å; Q9-I11 PolarHBondContact O-N 3.42Å; Q9-F12 PolarHBondContact O-N 3.25Å; Q9-I13 VanDerWaalsContact O-CG1 3.32Å; Q9-I13 WeakPolarHBondContact O-CG1 3.32Å; Q9-I13 PolarHBondContact O-N 3.3Å
10L79.2Confident75.4Confident100 Ų100117.4 Ų117.452%0.52457%0.568SS.*Hα-helixtrans-63.1-39.3178.9-172.366.9000112.2Y6 F7 I13 L14Y6-L10 WeakPolarHBondContact O-CB 3.45Å; Y6-L10 PolarHBondContact O-N 2.95Å; F7-L10 PolarHBondContact O-N 3.29Å; L10-I13 PolarHBondContact O-N 3.29Å; L10-L14 HydrophobicContact CG-CD1 4.22Å; L10-L14 WeakPolarHBondContact O-CG 3.45Å; L10-L14 PolarHBondContact O-N 3.05Å
11I82.5Confident75.4Confident59 Ų59118.3 Ų118.330%0.30357%0.569SS.*Hα-helixtrans-63.4-44.6175.6-70.4167.9000111.2F7 T8 Q9 I13 L14 Q15F7-I11 HydrophobicContact CD1-CD1 3.73Å; F7-I11 HydrophobicContact CE1-CD1 3.55Å; F7-I11 HydrophobicContact CZ-CD1 4.19Å; F7-I11 WeakPolarHBondContact O-CG1 3.47Å; F7-I11 PolarHBondContact O-N 3.37Å; F7-I11 VanDerWaalsContact O-N 3.13Å; T8-I11 PolarHBondContact O-N 3.22Å; Q9-I11 VanDerWaalsContact C-N 3.34Å; Q9-I11 PolarHBondContact O-N 3.42Å; I11-I13 VanDerWaalsContact C-N 3.35Å; I11-I13 PolarHBondContact O-N 3.13Å; I11-L14 PolarHBondContact O-N 3.47Å; I11-Q15 PolarHBondContact O-N 3.28Å
12F81.2Confident76.2Confident140 Ų140112.5 Ų112.561%0.61454%0.543SS*.Hα-helixtrans-61.8-41.1175.5-95-81.4000112.2T8 Q9 Q15 T16T8-F12 WeakPolarHBondContact O-CD2 3.4Å; T8-F12 PolarHBondContact O-N 2.98Å; T8-F12 VanDerWaalsContact O-N 3.13Å; Q9-F12 PolarHBondContact O-N 3.25Å; F12-Q15 PolarHBondContact O-N 3.42Å; F12-T16 WeakPolarHBondContact O-CG2 3.39Å; F12-T16 PolarHBondContact O-N 3.44Å; F12-T16 PolarHBondContact O-OG1 3.11Å; F12-T16 VanDerWaalsContact O-OG1 3.07Å
13I83.8Confident76.8Confident91 Ų91110.7 Ų110.747%0.46754%0.535SS..Hα-helixtrans-62.7-46.6175.7-67.9164000110.5Q9 L10 I11 Q15 T16 I17Q9-I13 VanDerWaalsContact O-CG1 3.32Å; Q9-I13 WeakPolarHBondContact O-CG1 3.32Å; Q9-I13 PolarHBondContact O-N 3.3Å; L10-I13 PolarHBondContact O-N 3.29Å; I11-I13 VanDerWaalsContact C-N 3.35Å; I11-I13 PolarHBondContact O-N 3.13Å; I13-Q15 PolarHBondContact O-N 3.4Å; I13-T16 PolarHBondContact O-N 3.13Å; I13-T16 PolarHBondContact O-OG1 2.96Å; I13-I17 HydrophobicContact CG2-CD1 3.77Å; I13-I17 VanDerWaalsContact O-CG1 3.29Å; I13-I17 WeakPolarHBondContact O-CG1 3.09Å; I13-I17 PolarHBondContact O-N 3.5Å
14L83Confident77.2Confident89 Ų89104.3 Ų104.347%0.46651%0.514SS..Hα-helixtrans-62.4-42.7177.4-75.9164.4000112.7L10 I11 I17 I18L10-L14 HydrophobicContact CG-CD1 4.22Å; L10-L14 WeakPolarHBondContact O-CG 3.45Å; L10-L14 PolarHBondContact O-N 3.05Å; I11-L14 PolarHBondContact O-N 3.47Å; L14-I17 PolarHBondContact O-N 2.78Å; L14-I18 WeakPolarHBondContact O-CD1 3.37Å; L14-I18 VanDerWaalsContact O-CG1 3.3Å; L14-I18 WeakPolarHBondContact O-CG1 3.48Å; L14-I18 PolarHBondContact O-N 2.89Å
15Q83.2Confident77Confident105 Ų105107.1 Ų107.149%0.49152%0.517SS..Hα-helixtrans-62.2-44.6175.7-77.9-174.7-31.800112.4I11 F12 I13 I17 I18 I19I11-Q15 PolarHBondContact O-N 3.28Å; F12-Q15 PolarHBondContact O-N 3.42Å; I13-Q15 PolarHBondContact O-N 3.4Å; Q15-I17 VanDerWaalsContact C-N 3.35Å; Q15-I17 PolarHBondContact O-N 3.39Å; Q15-I18 PolarHBondContact O-N 2.94Å; Q15-I19 VanDerWaalsContact O-CG1 3.31Å; Q15-I19 WeakPolarHBondContact O-CG1 3.49Å; Q15-I19 PolarHBondContact O-N 3.01Å
16T82.1Confident76.4Confident84 Ų84106.1 Ų106.152%0.51551%0.511SS..Hα-helixtrans-64.6-37.8178.153.10000112.4F12 I13 I19 L20F12-T16 WeakPolarHBondContact O-CG2 3.39Å; F12-T16 PolarHBondContact O-N 3.44Å; F12-T16 PolarHBondContact O-OG1 3.11Å; F12-T16 VanDerWaalsContact O-OG1 3.07Å; I13-T16 PolarHBondContact O-N 3.13Å; I13-T16 PolarHBondContact O-OG1 2.96Å; T16-I19 PolarHBondContact O-N 3.34Å; T16-L20 WeakPolarHBondContact O-CB 3.29Å; T16-L20 PolarHBondContact O-N 3.08Å
17I80.8Confident75.4Confident76 Ų76102.8 Ų102.839%0.3950%0.503SS..Hα-helixtrans-62.2-46.7173.4-69.8167.6000111.2I13 L14 Q15 I19 L20 F21I13-I17 HydrophobicContact CG2-CD1 3.77Å; I13-I17 VanDerWaalsContact O-CG1 3.29Å; I13-I17 WeakPolarHBondContact O-CG1 3.09Å; I13-I17 PolarHBondContact O-N 3.5Å; L14-I17 PolarHBondContact O-N 2.78Å; Q15-I17 VanDerWaalsContact C-N 3.35Å; Q15-I17 PolarHBondContact O-N 3.39Å; I17-I19 VanDerWaalsContact C-N 3.34Å; I17-I19 PolarHBondContact O-N 3.47Å; I17-L20 WeakPolarHBondContact O-CB 3.36Å; I17-L20 PolarHBondContact O-N 2.97Å; I17-L20 VanDerWaalsContact O-N 3.15Å; I17-F21 HydrophobicContact CG2-CD2 3.66Å; I17-F21 HydrophobicContact CG2-CE2 3.62Å; I17-F21 WeakPolarHBondContact O-CD2 3.49Å; I17-F21 PolarHBondContact O-N 3.07Å
18I79.6Confident74.1Confident99 Ų99105 Ų10551%0.50851%0.513SS..Hα-helixtrans-61.3-42.1178.2-68.4163.5000111.3L14 Q15 L20 F21 N22L14-I18 WeakPolarHBondContact O-CD1 3.37Å; L14-I18 VanDerWaalsContact O-CG1 3.3Å; L14-I18 WeakPolarHBondContact O-CG1 3.48Å; L14-I18 PolarHBondContact O-N 2.89Å; Q15-I18 PolarHBondContact O-N 2.94Å; I18-L20 VanDerWaalsContact C-N 3.31Å; I18-L20 PolarHBondContact O-N 3.47Å; I18-F21 PolarHBondContact O-N 2.98Å; I18-N22 PolarHBondContact O-N 3.35Å; I18-N22 PolarHBondContact O-ND2 3.32Å
19I81Confident72.4Confident101 Ų101102.8 Ų102.852%0.51851%0.505SS..Hα-helixtrans-63.7-38.2175.9-67.9164.3000111.1Q15 T16 I17 K23Q15-I19 VanDerWaalsContact O-CG1 3.31Å; Q15-I19 WeakPolarHBondContact O-CG1 3.49Å; Q15-I19 PolarHBondContact O-N 3.01Å; T16-I19 PolarHBondContact O-N 3.34Å; I17-I19 VanDerWaalsContact C-N 3.34Å; I17-I19 PolarHBondContact O-N 3.47Å; I19-K23 PolarHBondContact O-N 3.35Å
20L78.5Confident70.7Confident108 Ų108102.2 Ų102.257%0.56551%0.505SS*.Hα-helixtrans-64.6-48.3176.6-15782.7000111.4T16 I17 I18 N22 K23 I24T16-L20 WeakPolarHBondContact O-CB 3.29Å; T16-L20 PolarHBondContact O-N 3.08Å; I17-L20 WeakPolarHBondContact O-CB 3.36Å; I17-L20 PolarHBondContact O-N 2.97Å; I17-L20 VanDerWaalsContact O-N 3.15Å; I18-L20 VanDerWaalsContact C-N 3.31Å; I18-L20 PolarHBondContact O-N 3.47Å; L20-N22 PolarHBondContact O-N 2.93Å; L20-K23 PolarHBondContact O-N 3.45Å; L20-I24 HydrophobicContact CD2-CD1 4.3Å; L20-I24 HydrophobicContact CG-CD1 4.14Å; L20-I24 VanDerWaalsContact O-CG1 3.3Å; L20-I24 WeakPolarHBondContact O-CG1 3.47Å; L20-I24 PolarHBondContact O-N 2.93Å
21F75.2Confident68.9Low137 Ų137103.2 Ų103.260%0.60151%0.507SS*.Hα-helixtrans-60.2-42.1176.3-85.8-71000112.4I17 I18 K23 I24 Y25I17-F21 HydrophobicContact CG2-CD2 3.66Å; I17-F21 HydrophobicContact CG2-CE2 3.62Å; I17-F21 WeakPolarHBondContact O-CD2 3.49Å; I17-F21 PolarHBondContact O-N 3.07Å; I18-F21 PolarHBondContact O-N 2.98Å; F21-K23 PolarHBondContact O-N 3.01Å; F21-I24 PolarHBondContact O-N 2.93Å; F21-Y25 WeakPolarHBondContact O-CB 3.26Å; F21-Y25 PolarHBondContact O-N 3.17Å
22N73.6Confident66.7Low96 Ų96103.7 Ų103.751%0.51352%0.516SS..Hα-helixtrans-63.8-39.9175.8-75-21.7000112.4I18 L20 Y25 I26I18-N22 PolarHBondContact O-N 3.35Å; I18-N22 PolarHBondContact O-ND2 3.32Å; L20-N22 PolarHBondContact O-N 2.93Å; N22-Y25 PolarHBondContact O-N 3.39Å; N22-I26 WeakPolarHBondContact O-CD1 3.5Å; N22-I26 VanDerWaalsContact O-CG1 3.26Å; N22-I26 WeakPolarHBondContact O-CG1 3.31Å; N22-I26 PolarHBondContact O-N 3.34Å
23K70.8Confident64.6Low141 Ų141103.8 Ų103.861%0.61352%0.518SS*.Hα-helixtrans-63.3-45.4173.5-84.9-171.3171.2-173.20112.2I19 L20 F21 Y25 I26 I27I19-K23 PolarHBondContact O-N 3.35Å; L20-K23 PolarHBondContact O-N 3.45Å; F21-K23 PolarHBondContact O-N 3.01Å; K23-Y25 VanDerWaalsContact C-N 3.34Å; K23-Y25 PolarHBondContact O-N 3.31Å; K23-I26 PolarHBondContact O-N 2.88Å; K23-I27 WeakPolarHBondContact O-CD1 3.43Å; K23-I27 VanDerWaalsContact O-CG1 3.3Å; K23-I27 WeakPolarHBondContact O-CG1 3.3Å; K23-I27 PolarHBondContact O-N 3.39Å
24I69.2Low62.2Low72 Ų72102.9 Ų102.937%0.36952%0.52SS..Hα-helixtrans-60.2-45.6177.4-69165.4000110.1L20 F21 I26 I27 F28L20-I24 HydrophobicContact CD2-CD1 4.3Å; L20-I24 HydrophobicContact CG-CD1 4.14Å; L20-I24 VanDerWaalsContact O-CG1 3.3Å; L20-I24 WeakPolarHBondContact O-CG1 3.47Å; L20-I24 PolarHBondContact O-N 2.93Å; F21-I24 PolarHBondContact O-N 2.93Å; I24-I26 PolarHBondContact O-N 3.48Å; I24-I27 PolarHBondContact O-N 3Å; I24-F28 HydrophobicContact CG2-CD2 3.72Å; I24-F28 HydrophobicContact CG2-CE2 3.87Å; I24-F28 WeakPolarHBondContact O-CD2 3.18Å; I24-F28 PolarHBondContact O-N 2.98Å
25Y64.7Low59.8Low182 Ų182105.7 Ų105.771%0.71453%0.533SS*.Hα-helixtrans-61.9-39.4178.1-168.9-88.8000112.9F21 N22 K23 G29F21-Y25 WeakPolarHBondContact O-CB 3.26Å; F21-Y25 PolarHBondContact O-N 3.17Å; N22-Y25 PolarHBondContact O-N 3.39Å; K23-Y25 VanDerWaalsContact C-N 3.34Å; K23-Y25 PolarHBondContact O-N 3.31Å; Y25-G29 PolarHBondContact O-N 2.91Å
26I56Low57.4Low99 Ų99105 Ų10551%0.50854%0.535SS..Hα-helixtrans-67.2-38.2175.9-69.1164.6000111.6N22 K23 I24 N30N22-I26 WeakPolarHBondContact O-CD1 3.5Å; N22-I26 VanDerWaalsContact O-CG1 3.26Å; N22-I26 WeakPolarHBondContact O-CG1 3.31Å; N22-I26 PolarHBondContact O-N 3.34Å; K23-I26 PolarHBondContact O-N 2.88Å; I24-I26 PolarHBondContact O-N 3.48Å; I26-N30 WeakPolarHBondContact O-CB 3.4Å; I26-N30 PolarHBondContact O-N 3.42Å
27I51.8Low55Low96 Ų96104.4 Ų104.449%0.49254%0.535SS..Hα-helixtrans-63.9-54.5177.2-68.1162.4000110.1K23 I24 G29 N30 E31K23-I27 WeakPolarHBondContact O-CD1 3.43Å; K23-I27 VanDerWaalsContact O-CG1 3.3Å; K23-I27 WeakPolarHBondContact O-CG1 3.3Å; K23-I27 PolarHBondContact O-N 3.39Å; I24-I27 PolarHBondContact O-N 3Å; I27-G29 VanDerWaalsContact C-N 3.32Å; I27-G29 PolarHBondContact O-N 3.43Å; I27-N30 PolarHBondContact O-N 3.31Å; I27-E31 PolarHBondContact O-N 3.02Å
28F45.6Very low52.7Low147 Ų147103.1 Ų103.165%0.64554%0.541SS*.Hα-helixtrans-67.4-28.7179.5-77.9-73000113.6I24I24-F28 HydrophobicContact CG2-CD2 3.72Å; I24-F28 HydrophobicContact CG2-CE2 3.87Å; I24-F28 WeakPolarHBondContact O-CD2 3.18Å; I24-F28 PolarHBondContact O-N 2.98Å
29G41.9Very low50.3Low26 Ų26104.8 Ų104.827%0.26855%0.55SS..Hα-helixtrans-66.2-51.1173.100000112.5Y25 I27 E31 S32Y25-G29 PolarHBondContact O-N 2.91Å; I27-G29 VanDerWaalsContact C-N 3.32Å; I27-G29 PolarHBondContact O-N 3.43Å; G29-E31 PolarHBondContact O-N 2.81Å; G29-S32 PolarHBondContact O-N 3.03Å; G29-S32 PolarHBondContact O-OG 3.43Å
30N41.9Very low47.9Very low99 Ų99108.5 Ų108.553%0.52956%0.563SS.*Hα-helixtrans-72.6-28.6-172-68.8-4.4000113.7I26 I27 S32 S34I26-N30 WeakPolarHBondContact O-CB 3.4Å; I26-N30 PolarHBondContact O-N 3.42Å; I27-N30 PolarHBondContact O-N 3.31Å; N30-S32 VanDerWaalsContact C-N 3.28Å; N30-S32 PolarHBondContact O-N 3.49Å; N30-S34 PolarHBondContact O-N 3.44Å; N30-S34 PolarHBondContact O-OG 3.36Å
31E40.1Very low45.6Very low120 Ų120110 Ų11056%0.56157%0.572SS**Hα-helixtrans-68.5-28.1173.6-71.6-174.1145.700112.2I27 G29 S34 M35I27-E31 PolarHBondContact O-N 3.02Å; G29-E31 PolarHBondContact O-N 2.81Å; E31-S34 PolarHBondContact O-OG 2.9Å; E31-M35 PolarHBondContact O-N 2.91Å
32S36.3Very low43.5Very low70 Ų70108.9 Ų108.949%0.4958%0.576SS.*Hα-helixtrans-73.8-30.5178.277.20000114.3G29 N30 T36G29-S32 PolarHBondContact O-N 3.03Å; G29-S32 PolarHBondContact O-OG 3.43Å; N30-S32 VanDerWaalsContact C-N 3.28Å; N30-S32 PolarHBondContact O-N 3.49Å; S32-T36 WeakPolarHBondContact O-CG2 3.4Å; S32-T36 PolarHBondContact O-OG1 2.98Å
33E36.8Very low41.4Very low141 Ų141111.5 Ų111.566%0.65959%0.59SS**Hα-helixtrans-86.7-27.4177.7-67.6-167.9154.200113.3T36 S37E33-T36 WeakPolarHBondContact CA-OG1 3.49Å; E33-T36 PolarHBondContact O-OG1 2.95Å; E33-S37 WeakPolarHBondContact O-CB 3.49Å; E33-S37 PolarHBondContact O-N 3.4Å; E33-S37 PolarHBondContact O-OG 3.32Å
34S34.3Very low39.4Very low73 Ų73113.5 Ų113.551%0.5160%0.601SS.*Hα-helixtrans-77.9-30.1179.855.70000113.7N30 E31N30-S34 PolarHBondContact O-N 3.44Å; N30-S34 PolarHBondContact O-OG 3.36Å; E31-S34 PolarHBondContact O-OG 2.9Å
35M32.2Very low37.5Very low148 Ų148119 Ų11973%0.72963%0.625SS**Hα-helixtrans-78.9-28.7173.1-73.6-167.8134.300113.5E31E31-M35 PolarHBondContact O-N 2.91Å
36T32.6Very low35.9Very low89 Ų89117.3 Ų117.355%0.54663%0.633SS.*Hα-helixtrans-81.9-24.5-17947.90000113.5S32 E33 F40S32-T36 WeakPolarHBondContact O-CG2 3.4Å; S32-T36 PolarHBondContact O-OG1 2.98Å; E33-T36 WeakPolarHBondContact CA-OG1 3.49Å; E33-T36 PolarHBondContact O-OG1 2.95Å; T36-F40 WeakPolarHBondContact O-CD2 3.35Å
37S32.7Very low34.5Very low72 Ų72119.8 Ų119.850%0.50365%0.647SS.*Hα-helixtrans-84.8-22.2177.250.80000114.4E33E33-S37 WeakPolarHBondContact O-CB 3.49Å; E33-S37 PolarHBondContact O-N 3.4Å; E33-S37 PolarHBondContact O-OG 3.32Å
38G31.5Very low33.4Very low50 Ų50121.8 Ų121.852%0.51566%0.659SS.*Hα-helixtrans-76.3-26.3176.400000115
39L30.1Very low32.8Very low133 Ų133122.4 Ų122.470%0.69667%0.669SS**THydrogen-bonded Turntrans-86.1-9.2-173.4-92.6158.2000115.2
40F30.2Very low32.1Very low179 Ų179132.4 Ų132.479%0.78570%0.699SS**THydrogen-bonded Turntrans-101.8-2-176-86-84.3000115.6T36T36-F40 WeakPolarHBondContact O-CD2 3.35Å
41N30.7Very low31.4Very low141 Ų141132.2 Ų132.275%0.75471%0.706SS**SBendtrans-1070.7-171-80.2-38.2000116.3
42T30.8Very low30.9Very low112 Ų112133.9 Ų133.969%0.68772%0.718SS**SBendtrans-96-4.7-172.844.40000115.9
43N30Very low30.6Very low152 Ų152135.1 Ų135.181%0.81373%0.726SS**SBendtrans-102.921.3-172.8-79.2-33.8000115.5
44H29.3Very low30.3Very low183 Ų183133.8 Ų133.885%0.84773%0.732SS**SBendtrans-136.711.1-170.8-120.2-57.9000118.5
45Q28Very low30.2Very low187 Ų187135.3 Ų135.387%0.87474%0.743SS**  trans-132.1160.9173.9-74.8-171.9-1600112.9
46V31.1Very low30.1Very low146 Ų146133.6 Ų133.689%0.88575%0.745SS**  trans73.252.4-178.3-155.10000115.1
47N26.4Very low30.1Very low151 Ų151133.6 Ų133.681%0.80775%0.749SS**  trans-104.4147.3140.5-120-27.4000108
48N28.2Very low30.2Very low138 Ų138138 Ų13874%0.73876%0.762SS**  trans78.6105.8-175.6-45.6-43.9000116.5
49N33Very low30Very low160 Ų160145.8 Ų145.886%0.85678%0.777SS**  -168.4126.5106-91-27000114.1
50R27.8Very low30.4Very low236 Ų236144 Ų14489%0.89177%0.773SS**  trans-25.4148.9151.1-80.3174172.9175.5-3.4113.9
51S27.6Very low30.5Very low96 Ų96146.6 Ų146.667%0.67178%0.778SS**  cis167.9166.623.340.60000112.1
52L28.7Very low30.6Very low155 Ų155144.2 Ų144.281%0.81277%0.772SS**  trans97.7146.5138.2-115119.6000122
53S31.2Very low30.9Very low95 Ų95146 Ų14666%0.66477%0.773SS**  trans61.4103.2169.339.10000117.8
54S29.7Very low31Very low113 Ų113147.4 Ų147.479%0.7977%0.772SS**  78.5138.170.375.20000113.2
55S32.3Very low31.2Very low106 Ų106141.9 Ų141.974%0.74177%0.765SS**  cis-163.9168.431.255.20000113.3
56S29.7Very low31.3Very low111 Ų111142.5 Ų142.578%0.77677%0.765SS**  trans53.4122.9144-170.50000119.4
57S32.6Very low31.1Very low89 Ų89143 Ų14362%0.62276%0.759SS**  cis-155.2-168.74.159.80000108.3
58Q34.4Very low31.3Very low165 Ų165141 Ų14177%0.77176%0.756SS**  cis-148.2-154.510.6-154.5136.1-70.500111.7
59Y27.7Very low31.5Very low213 Ų213139 Ų13984%0.83575%0.754SS**  trans-150.7172.7-166.4-93.3-102.4000109.2
60P40.2Very low31.4Very low95 Ų95137.2 Ų137.262%0.61774%0.744SS**  cis-152.4-156.7-46.744.9-26000114.2
61R31.6Very low31.7Very low235 Ų235131.5 Ų131.589%0.88773%0.731SS**  trans74.5147.6159.7-82.4179.2171.9168.9-3.5116.5
62S32.1Very low31.7Very low91 Ų91132.7 Ų132.764%0.63673%0.73SS**  cis-167158.9-13.2410000107.4
63E36.4Very low31.4Very low148 Ų148133.9 Ų133.969%0.69273%0.729SS**  175156.577.7-107.3-177.8-179.900111.4
64F32.9Very low31.1Very low183 Ų183135.8 Ų135.880%0.80373%0.73SS**  trans39.8133.8157.6-54.1-59.8000122.5
65G32.9Very low31Very low67 Ų67137 Ų13769%0.69173%0.728SS**  cis157161.3-8.300000114.5
66K30.2Very low30.5Very low200 Ų200139.7 Ų139.787%0.8773%0.726SS**  trans69.9145.1166.1-61.3175.5179.5176.90116.3
67M28.4Very low30.2Very low157 Ų157143.4 Ų143.477%0.77372%0.724SS**  cis-162149.35.4-129.3155.162.800111.2
68S29.6Very low29.8Very low107 Ų107147.4 Ų147.475%0.74873%0.732SS**  trans49.3143.5144.4-104.70000120.4
69S33.5Very low29.3Very low97 Ų97144.4 Ų144.468%0.67873%0.73SS**  cis178.3163.90.6-119.40000107
70N30Very low29.2Very low122 Ų122143.9 Ų143.965%0.65274%0.735SS**  cis-159.7-166.9-8.5-149.628.3000108.8
71D33.7Very low28.5Very low116 Ų116147.3 Ų147.362%0.6274%0.743SS**  trans48.2103.1149.3-59.8-41.4000120.1
72N27.2Very low28.1Very low122 Ų122141.6 Ų141.665%0.65274%0.739SS**  93.2103.466.4-80.4-38.9000114.1
73F23.2Very low27.7Very low180 Ų180144.5 Ų144.579%0.78975%0.746SS**  trans65.6152.6131.7-85.7-86.3000122.6
74I25.4Very low27Very low134 Ų134146.3 Ų146.369%0.68775%0.752SS**  trans73.691.3147.2-67.7155.9000117.7
75N26.3Very low26.6Very low139 Ų139142.7 Ų142.774%0.74375%0.745SS**  166.4131.9109.1-89.7-38.4000111.5
76F22.8Very low26.3Very low162 Ų162146.4 Ų146.471%0.71175%0.749SS**  62.893.474.6-127.5-109.1000111.6
77R24.2Very low25.9Very low190 Ų190140.5 Ų140.572%0.71773%0.729SS**  89.8141.391.2-154.2-166.4-161.5-173.29.8111.3
78Q23.7Very low25.9Very low172 Ų172138.2 Ų138.280%0.80472%0.719SS**  trans71.6101.6172.2-56.5176.4-26.400117.7
79S23.1Very low25.7Very low103 Ų103139.4 Ų139.472%0.7272%0.717SS**  -155.993123.344.30000110.8Q81S79-Q81 PolarHBondContact O-N 3.15Å; S79-Q81 VanDerWaalsContact O-N 3.16Å
80Q26.5Very low25.4Very low201 Ų201141.9 Ų141.994%0.93972%0.723SS**  trans-64.3107.9149.6-78.4-171.3-16.400106.8
81Q25.2Very low25.2Very low167 Ų167142.2 Ų142.278%0.7872%0.718SS**  trans-133.793.9164.2-72.9-165.1-4.200110.4S79 L83S79-Q81 PolarHBondContact O-N 3.15Å; S79-Q81 VanDerWaalsContact O-N 3.16Å; Q81-L83 PolarHBondContact O-N 3.44Å
82S22.6Very low24.8Very low116 Ų116145.2 Ų145.281%0.81173%0.734SS**  trans-56.1114.2161.751.40000111.6
83L23.8Very low24.6Very low151 Ų151144.5 Ų144.579%0.79173%0.734SS**  trans-147.184.4159.8-92.5167.7000107.2Q81Q81-L83 PolarHBondContact O-N 3.44Å
84K22.9Very low24.7Very low186 Ų186141.2 Ų141.281%0.80972%0.724SS**  52.7106.6100-81.2-169.7173.1-178.40115
85V24.2Very low24.8Very low107 Ų107139.5 Ų139.565%0.64872%0.723SS**  trans66.8109.2130.9-177.70000117.1
86N25.3Very low24.8Very low145 Ų145138.1 Ų138.178%0.77571%0.713SS**  -168.4101.5107.4-100.2-54.4000114.8
87T23.6Very low25.2Very low76 Ų76131.8 Ų131.847%0.46669%0.686SS.*  41.4141.4116-220000122.1V356T87-V356 HydrophobicContact CG2-CG2 3.51Å
88I27.4Very low25.5Very low110 Ų110127.5 Ų127.556%0.56467%0.674SS**  trans108.887.9152-53.8-174.9000117.3
89N25.5Very low25.8Very low132 Ų132119.6 Ų119.671%0.70664%0.637SS**  51.8107.2120.2-46.1-16.1000120
90N27.4Very low26Very low148 Ų148118.2 Ų118.279%0.79162%0.619SS**  -159.186.5118.9-102.3-23.8000114.1L92N90-L92 PolarHBondContact O-N 2.98Å
91K25Very low26.1Very low129 Ų129109.2 Ų109.256%0.56158%0.579SS**  5759.4118-154.2177.8-174.9177.90118.8
92L25Very low26.2Very low180 Ų180104.9 Ų104.994%0.94257%0.567SS**  trans-133.171.7152.7-80.6175000110N90N90-L92 PolarHBondContact O-N 2.98Å
93T23.7Very low26.6Very low107 Ų107101 Ų10166%0.65654%0.538SS*.  trans-99.2138169.349.70000108.9
94N25.4Very low26.8Very low110 Ų110103.3 Ų103.359%0.58855%0.545SS*.  trans80.787.8-176.4-49.5-16.4000114.9
95C26.6Very low27.3Very low99 Ų9999 Ų9967%0.66953%0.529SS*.  trans-88.9121.2149.2-710000107.6F236C95-F236 HydrophobicContact CB-CD2 3.5Å; C95-F236 HydrophobicContact CB-CE2 3.87Å
96Q27.8Very low27.6Very low110 Ų110102.4 Ų102.451%0.51454%0.538SS..  trans-101.9126.3172-73.9175.6-54.200108.8Q98 F366Q96-Q98 PolarHBondContact O-N 3.41Å; Q96-F366 VanDerWaalsContact NE2-CE2 3.34Å
97L30.4Very low27.9Very low29 Ų29102.6 Ų102.615%0.15254%0.538CS..  trans-78.4105.1167-178.471.8000107.8L99 I129 F228 F236 F307L97-L99 HydrophobicContact CD2-CG 4.47Å; L97-L99 HydrophobicContact CG-CG 4.49Å; L97-L99 PolarHBondContact O-N 2.94Å; L97-I129 HydrophobicContact CD1-CG2 4.12Å; L97-F228 HydrophobicContact CD2-CD2 4.27Å; L97-F236 HydrophobicContact CB-CE1 4.49Å; L97-F236 HydrophobicContact CB-CZ 3.96Å; L97-F307 HydrophobicContact CD2-CE1 3.82Å; L97-F307 HydrophobicContact CD2-CZ 3.92Å
98Q30.6Very low28.5Very low100 Ų100104.3 Ų104.347%0.46754%0.544SS..  trans-89.4104.3178.1-174.4169-25.300109.8Q96 E100Q96-Q98 PolarHBondContact O-N 3.41Å; Q98-E100 HydrophobicContact CG-CG 4.01Å; Q98-E100 PolarHBondContact NE2-OE1 3.22Å
99L29.8Very low28.9Very low5 Ų5105.5 Ų105.53%0.02655%0.551CS.*  trans-83.8111173.2-75161000109.4L97 I127 A226 F228 W304L97-L99 HydrophobicContact CD2-CG 4.47Å; L97-L99 HydrophobicContact CG-CG 4.49Å; L97-L99 PolarHBondContact O-N 2.94Å; L99-I127 HydrophobicContact CD2-CB 4.24Å; L99-I127 HydrophobicContact CD2-CG1 3.83Å; L99-I127 HydrophobicContact CD2-CG2 3.76Å; L99-A226 HydrophobicContact CD1-CB 4.11Å; L99-F228 HydrophobicContact CD1-CD2 4.32Å; L99-F228 HydrophobicContact CD1-CE2 4.05Å; L99-W304 HydrophobicContact CD1-CH2 3.66Å; L99-W304 HydrophobicContact CD1-CZ3 4.12Å; L99-W304 HydrophobicContact CD2-CH2 4.06Å
100E28.2Very low29.2Very low75 Ų75106.2 Ų106.235%0.3556%0.555SS.*  trans-109.9118.6176.5-62.4-168.6160.800111.3Q98Q98-E100 HydrophobicContact CG-CG 4.01Å; Q98-E100 PolarHBondContact NE2-OE1 3.22Å
101C27.8Very low29.3Very low12 Ų12107.9 Ų107.98%0.08156%0.555CS.*BIsolated β-bridgetrans-118.9130.3172.7-57.60000109.1R126 L225C101-R126 PolarHBondContact SG-O 3.36Å; C101-L225 HydrophobicContact CB-CD1 3.97Å; C101-L225 HydrophobicContact CB-CG 4.23Å; C101-L225 WeakPolarHBondContact SG-CD1 3.32Å
102S28.4Very low29.4Very low76 Ų76109.8 Ų109.853%0.53157%0.566SS.*  trans-105.6111.1179.556.20000110.1
103T30.1Very low29.6Very low33 Ų33109.5 Ų109.520%0.20256%0.562CS.*  trans-99.9138.7172.451.90000110.7M105 H122T103-M105 PolarHBondContact O-N 3.46Å; T103-M105 VanDerWaalsContact O-N 3.12Å; T103-H122 WeakPolarHBondContact CG2-O 3.41Å
104E27.9Very low29.9Very low201 Ų201108.4 Ų108.494%0.93956%0.559SS**  trans-77.189.7165.5-69.9179.7174.100108.7E106E104-E106 PolarHBondContact O-N 3.03Å
105M33Very low30Very low96 Ų96109.9 Ų109.947%0.47357%0.565SS.*  trans-88.688.6-179.6-90.2172.95300112T103 I108 I223T103-M105 PolarHBondContact O-N 3.46Å; T103-M105 VanDerWaalsContact O-N 3.12Å; M105-I108 HydrophobicContact CE-CB 4.24Å; M105-I108 HydrophobicContact CE-CD1 4.22Å; M105-I108 HydrophobicContact CE-CG1 4.4Å; M105-I108 HydrophobicContact CG-CD1 4.08Å; M105-I108 HydrophobicContact SD-CD1 4.23Å; M105-I223 HydrophobicContact SD-CD1 4.38Å
106E30.4Very low30Very low178 Ų178113.1 Ų113.183%0.83257%0.573SS**  trans-80.2123.8152.1-71.8-16414300109.7E104E104-E106 PolarHBondContact O-N 3.03Å
107N31.4Very low30Very low148 Ų148115.3 Ų115.379%0.79159%0.588SS**  trans5277.5167.5-64.6-43.6000118.1
108I37.1Very low29.9Very low113 Ų113119.4 Ų119.458%0.57960%0.604SS**  trans-111.890154.9-54.8-176.6000109.6M105 N110M105-I108 HydrophobicContact CE-CB 4.24Å; M105-I108 HydrophobicContact CE-CD1 4.22Å; M105-I108 HydrophobicContact CE-CG1 4.4Å; M105-I108 HydrophobicContact CG-CD1 4.08Å; M105-I108 HydrophobicContact SD-CD1 4.23Å; I108-N110 PolarHBondContact O-N 3.48Å
109D36.2Very low29.7Very low134 Ų134119 Ų11972%0.71761%0.613SS**  trans-69.5114.3172.1-90.1-46.2000111.7K111D109-K111 PolarHBondContact O-N 2.97Å
110N31.5Very low29.8Very low147 Ų147124.6 Ų124.679%0.78665%0.647SS**SBendtrans3766.3143.2-65.3-53.5000118I108I108-N110 PolarHBondContact O-N 3.48Å
111K28.7Very low29.9Very low183 Ų183125.4 Ų125.480%0.79666%0.657SS**  trans-160.6128.3150.5-113.4159.3-174.9175.60114.6D109D109-K111 PolarHBondContact O-N 2.97Å
112Q28.4Very low30.1Very low170 Ų170131.2 Ų131.279%0.79468%0.683SS**  trans63.470151.7-63.8175.5-14.700118.2S114Q112-S114 PolarHBondContact O-N 3.4Å
113M29.2Very low30.3Very low173 Ų173129.5 Ų129.585%0.85267%0.668SS**  trans-77.667.5152.3-157.5-178.1-57.900110
114S28.4Very low30.5Very low84 Ų84130.8 Ų130.859%0.58768%0.675SS**  trans-100110.1171-1790000109.4Q112Q112-S114 PolarHBondContact O-N 3.4Å
115I27.4Very low30.7Very low141 Ų141121.3 Ų121.372%0.72363%0.631SS**THydrogen-bonded Turntrans13.7111.3146.1-55171.8000114.5N117I115-N117 PolarHBondContact O-N 3.18Å
116M27.1Very low30.7Very low168 Ų168122.6 Ų122.683%0.82863%0.631SS**THydrogen-bonded Turntrans66.223164.1-58.9-168.6-6200118.9
117N27.7Very low31.1Very low155 Ų155114.1 Ų114.183%0.82959%0.591SS**  trans-121.369.9160.2-85.2-28000110.7I115 S119I115-N117 PolarHBondContact O-N 3.18Å; N117-S119 PolarHBondContact O-N 3.15Å
118F29.7Very low31.4Very low116 Ų116112.5 Ų112.551%0.50957%0.574SS.*  trans-66.4103.3169.3-88.9-73.8000109.6T120 I123 L225F118-T120 PolarHBondContact O-N 3.45Å; F118-I123 HydrophobicContact CB-CD1 4.23Å; F118-I123 HydrophobicContact CD1-CD1 3.49Å; F118-I123 VanDerWaalsContact CD1-CD1 3.49Å; F118-I123 HydrophobicContact CD1-CG1 4.35Å; F118-I123 HydrophobicContact CE1-CD1 4.02Å; F118-I123 HydrophobicContact CG-CD1 4.02Å; F118-L225 HydrophobicContact CE1-CD2 3.99Å; F118-L225 HydrophobicContact CZ-CD2 4.02Å
119S24.9Very low31.6Very low92 Ų92107.2 Ų107.264%0.64355%0.547SS*.  trans-67.3114.8163.7-165.30000107.9N117 T121N117-S119 PolarHBondContact O-N 3.15Å; S119-T121 PolarHBondContact O-N 3.44Å
120T33Very low31.4Very low121 Ų121103.9 Ų103.974%0.74253%0.533SS*.THydrogen-bonded Turntrans-77.323.9-163.256.80000114.4F118F118-T120 PolarHBondContact O-N 3.45Å
121T29.5Very low31.5Very low92 Ų9299.2 Ų99.256%0.56451%0.509SS*.THydrogen-bonded Turntrans-91.5-17.7-166.358.50000115S119S119-T121 PolarHBondContact O-N 3.44Å
122H31.7Very low31.7Very low134 Ų134100 Ų10062%0.6251%0.507SS*.SBendtrans-139.615.5-172.8-55.6-59000115.3T103 T124T103-H122 WeakPolarHBondContact CG2-O 3.41Å; H122-T124 PolarHBondContact O-N 3.42Å; H122-T124 VanDerWaalsContact O-N 3.16Å
123I34.2Very low31.8Very low41 Ų4195.3 Ų95.321%0.2149%0.493CS..  trans-85.685.6175.5-48.2174.8000108.8F118 G125 L225 W292F118-I123 HydrophobicContact CB-CD1 4.23Å; F118-I123 HydrophobicContact CD1-CD1 3.49Å; F118-I123 VanDerWaalsContact CD1-CD1 3.49Å; F118-I123 HydrophobicContact CD1-CG1 4.35Å; F118-I123 HydrophobicContact CE1-CD1 4.02Å; F118-I123 HydrophobicContact CG-CD1 4.02Å; I123-G125 PolarHBondContact O-N 3.36Å; I123-L225 HydrophobicContact CG2-CD1 3.7Å; I123-L225 HydrophobicContact CG2-CD2 4.33Å; I123-W292 HydrophobicContact CG2-CH2 3.9Å; I123-W292 HydrophobicContact CG2-CZ2 3.82Å
124T33.8Very low31.9Very low60 Ų6089.9 Ų89.937%0.36848%0.481SS..  trans-54.5124.1172.453.60000110H122 R126H122-T124 PolarHBondContact O-N 3.42Å; H122-T124 VanDerWaalsContact O-N 3.16Å; T124-R126 PolarHBondContact O-N 2.94Å
125G31.9Very low32Very low1 Ų197.7 Ų97.71%0.0150%0.498CS..  trans-74.343.6-154.300000117.8I123 D291 W292 E293I123-G125 PolarHBondContact O-N 3.36Å; G125-D291 CarbonylContact O-C 3.41Å; G125-D291 WeakPolarHBondContact O-CA 3.42Å; G125-W292 VanDerWaalsContact O-CD2 3.29Å; G125-W292 WeakPolarHBondContact O-CZ3 3.2Å; G125-W292 PolarHBondContact O-N 3.29Å; G125-E293 WeakPolarHBondContact CA-OE2 3.42Å; G125-E293 PolarHBondContact N-OE2 2.68Å
126R33.5Very low32.3Very low124 Ų12493.2 Ų93.247%0.46849%0.487SS..EExtended strand (participates in β ladder)trans-116.8111.7-167.7-70.2176.2-178.6167.33.2113.9C101 T124 L289 I290 D291 W292C101-R126 PolarHBondContact SG-O 3.36Å; T124-R126 PolarHBondContact O-N 2.94Å; R126-L289 HydrophobicContact CB-CD1 3.99Å; R126-L289 HydrophobicContact CG-CD1 4.28Å; R126-I290 WeakPolarHBondContact CA-O 3.3Å; R126-D291 HydrophobicContact CG-CB 4.4Å; R126-D291 WeakPolarHBondContact CG-OD2 3.4Å; R126-D291 IonicContact CZ-OD2 3.47Å; R126-D291 IonicContact NE-OD2 3.88Å; R126-D291 PolarHBondContact NE-OD2 3.21Å; R126-D291 IonicContact NH2-OD2 2.84Å; R126-D291 PolarHBondContact NH2-OD2 3.47Å; R126-W292 VanDerWaalsContact N-CZ3 3.27Å
127I38.9Very low32.7Very low0 Ų089.6 Ų89.60%048%0.476CS..EExtended strand (participates in β ladder)trans-90133.2166.9-82.6148.6000109.4L99 I129 V288 L289 I290 W292 F303 W304L99-I127 HydrophobicContact CD2-CB 4.24Å; L99-I127 HydrophobicContact CD2-CG1 3.83Å; L99-I127 HydrophobicContact CD2-CG2 3.76Å; I127-I129 HydrophobicContact CG2-CD1 4.17Å; I127-I129 HydrophobicContact CG2-CG1 3.64Å; I127-V288 VanDerWaalsContact O-O 3.13Å; I127-L289 WeakPolarHBondContact O-CA 3.45Å; I127-I290 HydrophobicContact CB-CB 4.36Å; I127-I290 HydrophobicContact CG2-CD1 4.48Å; I127-I290 PolarHBondContact N-O 3.15Å; I127-I290 PolarHBondContact O-N 3.33Å; I127-W292 HydrophobicContact CB-CZ3 4.44Å; I127-W292 HydrophobicContact CD1-CE3 3.63Å; I127-W292 HydrophobicContact CD1-CZ3 3.81Å; I127-W292 HydrophobicContact CG1-CE3 3.94Å; I127-W292 HydrophobicContact CG1-CZ3 3.67Å; I127-F303 HydrophobicContact CD1-CD1 4.15Å; I127-F303 HydrophobicContact CD1-CE1 3.22Å; I127-F303 HydrophobicContact CD1-CZ 3.65Å; I127-W304 HydrophobicContact CD1-CH2 3.48Å; I127-W304 VanDerWaalsContact CD1-CH2 3.48Å; I127-W304 HydrophobicContact CD1-CZ2 3.8Å; I127-W304 HydrophobicContact CD1-CZ3 3.89Å; I127-W304 HydrophobicContact CG1-CH2 3.75Å; I127-W304 HydrophobicContact CG1-CZ2 4.19Å; I127-W304 HydrophobicContact CG1-CZ3 4.47Å
128R36.2Very low33.4Very low114 Ų11486.9 Ų86.943%0.4348%0.475SS..EExtended strand (participates in β ladder)trans-109121.1167.2-71.6178.1175162.81.5109.7P130 V288 L289R128-P130 WeakPolarHBondContact O-CD 3.49Å; R128-V288 WeakPolarHBondContact CA-O 3.21Å; R128-L289 HydrophobicContact CG-CD1 3.78Å
129I41Very low34.4Very low1 Ų184.2 Ų84.21%0.00548%0.48CS..EExtended strand (participates in β ladder)trans-106.2100.8177.4-58.4175.4000108.9L97 I127 V131 L240 L243 G287 V288 I290 F307L97-I129 HydrophobicContact CD1-CG2 4.12Å; I127-I129 HydrophobicContact CG2-CD1 4.17Å; I127-I129 HydrophobicContact CG2-CG1 3.64Å; I129-V131 PolarHBondContact O-N 2.81Å; I129-L240 HydrophobicContact CG2-CD1 3.74Å; I129-L240 HydrophobicContact CG2-CD2 4.16Å; I129-L240 HydrophobicContact CG2-CG 4.36Å; I129-L243 HydrophobicContact CD1-CD1 3.87Å; I129-G287 CarbonylContact O-C 3.49Å; I129-G287 WeakPolarHBondContact O-CA 3.41Å; I129-V288 HydrophobicContact CB-CB 4.45Å; I129-V288 PolarHBondContact N-O 2.89Å; I129-V288 VanDerWaalsContact N-O 3.08Å; I129-V288 PolarHBondContact O-N 2.95Å; I129-I290 HydrophobicContact CD1-CD1 3.81Å; I129-F307 HydrophobicContact CD1-CE2 3.61Å; I129-F307 HydrophobicContact CD1-CZ 3.96Å; I129-F307 HydrophobicContact CG1-CZ 4.45Å
130P33.4Very low36.2Very low65 Ų6585.5 Ų85.542%0.42249%0.486SS..  trans-66.496.9-177.926.7-34.4000111.2R128 R132R128-P130 WeakPolarHBondContact O-CD 3.49Å; P130-R132 PolarHBondContact O-N 3.03Å
131V32.4Very low38Very low48 Ų4886 Ų8629%0.29149%0.491SS..  trans-73.891.3174.4-169.20000108I129 S133 V288I129-V131 PolarHBondContact O-N 2.81Å; V131-S133 PolarHBondContact O-N 3.24Å; V131-V288 HydrophobicContact CG2-CG2 3.99Å
132R34.1Very low40.1Very low201 Ų20184.4 Ų84.476%0.75849%0.494SS*.  trans-67.791158.6-83.1-172.2175.8172.31.9107.4P130 G134P130-R132 PolarHBondContact O-N 3.03Å; R132-G134 PolarHBondContact O-N 3.04Å
133S30.8Very low42.3Very low71 Ų7184.2 Ų84.250%0.49750%0.504SS..  trans-52111.3156.6-53.40000106.5V131 R135V131-S133 PolarHBondContact O-N 3.24Å; S133-R135 VanDerWaalsContact C-N 3.33Å; S133-R135 PolarHBondContact O-N 3.41Å
134G29.4Very low44.5Very low58 Ų5891.6 Ų91.660%0.59854%0.538SS*.  trans-56.2100.9174.200000107.6R132 G136R132-G134 PolarHBondContact O-N 3.04Å; G134-G136 PolarHBondContact O-N 3.31Å
135R31.7Very low46.7Very low248 Ų24891.2 Ų91.294%0.93655%0.546SS*.  trans-62.7105.3-176.8-170-178.2-168.9-164.53106.2S133S133-R135 VanDerWaalsContact C-N 3.33Å; S133-R135 PolarHBondContact O-N 3.41Å
136G33.5Very low49.2Very low48 Ų4897 Ų9750%0.49558%0.583SS.*PPolyproline II helixtrans-50.7152.6178.800000110.2G134 A138G134-G136 PolarHBondContact O-N 3.31Å; G136-A138 PolarHBondContact O-N 3.49Å
137P35.6Very low51.6Low91 Ų9197.3 Ų97.359%0.59160%0.602SS**PPolyproline II helixtrans-51.2140.3178.823.9-33.7000109.2G139 W337P137-G139 PolarHBondContact O-N 3.47Å; P137-W337 HydrophobicContact CG-CE3 4.06Å; P137-W337 HydrophobicContact CG-CH2 3.77Å; P137-W337 HydrophobicContact CG-CZ3 3.28Å
138A43Very low53.6Low99 Ų99100.3 Ų100.382%0.81863%0.632SS**PPolyproline II helixtrans-52.1130.7-17900000109.2G136G136-A138 PolarHBondContact O-N 3.49Å
139G50.2Low55.9Low59 Ų59101 Ų10161%0.60865%0.652SS**PPolyproline II helixtrans-54.3152.9178.400000111P137P137-G139 PolarHBondContact O-N 3.47Å
140P61.6Low57.9Low120 Ų120110.2 Ų110.278%0.77969%0.694SS**PPolyproline II helixtrans-54.4145.7-17924.1-34.4000110.6G142P140-G142 PolarHBondContact O-N 2.87Å
141P72.4Confident59.9Low130 Ų130110.2 Ų110.284%0.84471%0.706SS**PPolyproline II helixtrans-50.9133.4175.7-2734.9000111.1
142G73.5Confident62.1Low60 Ų60112.7 Ų112.762%0.61973%0.732SS**PPolyproline II helixtrans-59.2157177.200000111.9P140 Q144P140-G142 PolarHBondContact O-N 2.87Å; G142-Q144 PolarHBondContact O-N 3.33Å
143P77.9Confident64.3Low130 Ų130114.9 Ų114.984%0.84474%0.74SS**PPolyproline II helixtrans-56.3141.2178.725.1-34.5000110.7G145P143-G145 PolarHBondContact O-N 3.49Å
144Q80.7Confident66.1Low195 Ų195114.7 Ų114.791%0.91175%0.75SS**PPolyproline II helixtrans-58.6126.6177.2-172.7173.68.700109.6G142G142-Q144 PolarHBondContact O-N 3.33Å
145G79.2Confident68.2Low53 Ų53122 Ų12255%0.54677%0.765SS.*PPolyproline II helixtrans-60.1156.9177.800000112.2P143P143-G145 PolarHBondContact O-N 3.49Å
146P84.4Confident70.4Confident122 Ų122121.9 Ų121.979%0.79277%0.765SS**PPolyproline II helixtrans-58.3149.2179.925.7-34.9000111.2G148P146-G148 PolarHBondContact O-N 3.03Å
147P84.4Confident72.2Confident131 Ų131122.4 Ų122.485%0.85177%0.77SS**PPolyproline II helixtrans-51.7132.4175.2-2735.1000111.7
148G80.6Confident74.1Confident62 Ų62123.8 Ų123.864%0.63978%0.78SS**PPolyproline II helixtrans-61.4152.3177.100000111.8P146P146-G148 PolarHBondContact O-N 3.03Å
149P84.2Confident75.8Confident129 Ų129125.1 Ų125.184%0.83878%0.78SS**PPolyproline II helixtrans-58.9141.517825.8-34.5000110.8G151P149-G151 PolarHBondContact O-N 3.19Å
150Q82Confident76.3Confident194 Ų194126 Ų12691%0.90779%0.789SS**PPolyproline II helixtrans-58.1123.1179.1-173.7173.14.500110.1
151G77.1Confident76.4Confident65 Ų65129.2 Ų129.267%0.6779%0.794SS**PPolyproline II helixtrans-57.4140.4-178.700000112.1P149 R153P149-G151 PolarHBondContact O-N 3.19Å; G151-R153 PolarHBondContact O-N 3.07Å
152A77.7Confident76.1Confident101 Ų101129.1 Ų129.184%0.83579%0.793SS**PPolyproline II helixtrans-56.3135.3178.200000110.8G154A152-G154 PolarHBondContact O-N 2.82Å; A152-G154 VanDerWaalsContact O-N 3.14Å
153R79.6Confident74.7Confident246 Ų246130.3 Ų130.393%0.92881%0.805SS**PPolyproline II helixtrans-59.8118.5-180-169.8178.6-168.1169.84.8109.4G151G151-R153 PolarHBondContact O-N 3.07Å
154G70.3Confident73Confident68 Ų68129.9 Ų129.970%0.70181%0.805SS**PPolyproline II helixtrans-56.1141.1179.900000112.2A152A152-G154 PolarHBondContact O-N 2.82Å; A152-G154 VanDerWaalsContact O-N 3.14Å
155F73.8Confident71.1Confident210 Ų210127.7 Ų127.792%0.92180%0.799SS**PPolyproline II helixtrans-61.2139.2174.8-69.3-84000110.4G157F155-G157 PolarHBondContact O-N 3.12Å
156R77.1Confident69.4Low246 Ų246134.2 Ų134.293%0.92882%0.815SS**PPolyproline II helixtrans-69.4123.2175.7-153.3177.9-162.9177.33.4107.9
157G70.8Confident67.3Low59 Ų59132 Ų13261%0.60881%0.814SS**PPolyproline II helixtrans-59.7151176.800000111.8F155F155-G157 PolarHBondContact O-N 3.12Å
158P76.4Confident65.3Low121 Ų121134.1 Ų134.179%0.78682%0.818SS**PPolyproline II helixtrans-62.6149.717627.6-34.3000110.9G160P158-G160 PolarHBondContact O-N 3.16Å
159P77.5Confident63.3Low127 Ų127136.1 Ų136.183%0.82583%0.829SS**PPolyproline II helixtrans-57.1137170.2-22.233.8000111.1
160G61.1Low61Low77 Ų77140 Ų14079%0.79483%0.833SS**PPolyproline II helixtrans-72.1137.9177.300000112P158P158-G160 PolarHBondContact O-N 3.16Å
161E63.9Low58.7Low188 Ų188139.2 Ų139.288%0.87983%0.831SS**PPolyproline II helixtrans-70.7145.2174-71.8-174.9131.200111.7G163E161-G163 PolarHBondContact O-N 2.94Å
162P67Low56.7Low128 Ų128141.2 Ų141.283%0.83183%0.83SS**PPolyproline II helixtrans-65.7129.3174-19.332.6000112
163G42.5Very low54.5Low84 Ų84143.7 Ų143.787%0.86683%0.828SS**PPolyproline II helixtrans-70.9132-179.500000113.6E161E161-G163 PolarHBondContact O-N 2.94Å
164S43.6Very low52.1Low121 Ų121136.6 Ų136.685%0.84682%0.816SS**  trans-104.6136.1163.3-177.70000109.7
165L40.2Very low50.2Low150 Ų150140.3 Ų140.379%0.78582%0.82SS**  trans-81.9-176.6-179.8-68.5160.5000112.2
166Q43.9Very low48.4Very low190 Ų190135.5 Ų135.589%0.88881%0.812SS**  trans81124.8173.7-103.279.126.200118.3
167G40.2Very low46.1Very low74 Ų74131.3 Ų131.376%0.76381%0.807SS**  trans144.685.5158.700000115.5A169G167-A169 PolarHBondContact O-N 2.94Å
168D41.6Very low44.3Very low177 Ų177132 Ų13295%0.94780%0.802SS**  trans-70.8123.5173-58.7-68.1000111.9
169A39.3Very low42.1Very low104 Ų104132 Ų13286%0.8680%0.796SS**  trans-147.4114.4168.700000112.2G167G167-A169 PolarHBondContact O-N 2.94Å
170K35.5Very low39.9Very low211 Ų211135.6 Ų135.692%0.91780%0.801SS**  trans-106.898.8178.5169.7-154.5173.2-1740109.3
171M33.3Very low38.6Very low177 Ų177137.1 Ų137.187%0.87279%0.788SS**  trans-159.1126.6164.6-154.1151.2173.900115.6
172T36.6Very low37.1Very low106 Ų106134 Ų13465%0.6578%0.776SS**  trans42.3111.1141.6-47.40000122.3
173I31Very low35.2Very low153 Ų153135.4 Ų135.479%0.78578%0.776SS**  25.8139.3126.2-53.2174.7000119.5
174S29.6Very low34.5Very low98 Ų98141.4 Ų141.469%0.68578%0.778SS**  trans96139.215761.10000120.1
175D30.1Very low34Very low146 Ų146142.4 Ų142.478%0.78177%0.774SS**  trans73162.6158.2-59.8-12.5000121.5
176S35.4Very low33.4Very low108 Ų108146.7 Ų146.776%0.75578%0.78SS**  trans64.199.1-17068.40000114.1
177I29.4Very low32.7Very low159 Ų159145.2 Ų145.282%0.81578%0.776SS**  cis49.5129.148.1-49177.9000112
178S32.4Very low32.3Very low74 Ų74151.4 Ų151.452%0.51778%0.782SS.*  trans114.1152.9159.280.80000116.7Q180S178-Q180 PolarHBondContact O-N 2.83Å
179N30.6Very low31.7Very low121 Ų121150.3 Ų150.365%0.64777%0.771SS**SBendtrans762.8156.8-49.2-14.6000120.9Q181N179-Q181 PolarHBondContact OD1-NE2 3.02Å; N179-Q181 PolarHBondContact OD1-OE1 3.02Å
180Q30Very low31.2Very low202 Ų202153 Ų15394%0.94477%0.771SS**SBendtrans-105.814.3141.1-72.2-165-4.200113.1S178S178-Q180 PolarHBondContact O-N 2.83Å
181Q35.3Very low30.7Very low109 Ų109154.6 Ų154.651%0.50977%0.771SS.*  trans-14.1139135.7-85.7174.44.100116.8N179N179-Q181 PolarHBondContact OD1-NE2 3.02Å; N179-Q181 PolarHBondContact OD1-OE1 3.02Å
182I32.1Very low30.4Very low123 Ų123155.3 Ų155.363%0.63176%0.764SS**  trans63.981.6137.5-50.9162.1000114.9
183L26Very low29.9Very low157 Ų157156.6 Ų156.682%0.82277%0.767SS**SBendtrans-161.8-1.6140.2-110.5158.2000118
184F28.3Very low29.7Very low210 Ų210155 Ų15592%0.92176%0.764SS**SBendtrans-117.521.1169.9-82.7-73.9000115.8R186F184-R186 VanDerWaalsContact C-N 3.3Å; F184-R186 PolarHBondContact O-N 3.03Å
185N33.4Very low29.5Very low142 Ų142155.6 Ų155.676%0.75976%0.764SS**THydrogen-bonded Turntrans-7370.5166.6-78.6-9.3000111.9
186R26.7Very low29.4Very low239 Ų239156.1 Ų156.190%0.90276%0.761SS**THydrogen-bonded Turntrans-153.2-23.3169.2-122165.5-163.5174.25.3122.7F184F184-R186 VanDerWaalsContact C-N 3.3Å; F184-R186 PolarHBondContact O-N 3.03Å
187I29.5Very low29.1Very low159 Ų159155.3 Ų155.382%0.81575%0.753SS**SBendtrans-128.9-13.3-163.9-59-172.1000118.5
188K32.5Very low28.8Very low205 Ų205152.8 Ų152.889%0.89175%0.747SS**SBendtrans-125.335.3179.2-73-168.1175.2-178.10116
189H29.7Very low28.6Very low154 Ų154155.8 Ų155.871%0.71376%0.756SS**  trans-112.418.2178.9-128.3-62.2000115.3
190N27.1Very low28.3Very low160 Ų160155.4 Ų155.486%0.85676%0.758SS**  trans-123.3124.6164.4-69.4-19.7000106.6
191R27Very low28.2Very low245 Ų245155.8 Ų155.893%0.92575%0.753SS**  cis-121109.314.4-64.3168.3172.4155.5-5111.3
192R27Very low27.7Very low191 Ų191153.5 Ų153.572%0.72175%0.752SS**  -83.7176126.4-74.1-175.8176.6133.81.5106.8
193D24.8Very low27.4Very low133 Ų133156.7 Ų156.771%0.71176%0.764SS**  trans72.281.1167.5-41.1-33.2000115.8
194V26.3Very low27.4Very low119 Ų119154.5 Ų154.572%0.72176%0.762SS**  -12672.9115.4-161.60000108.7H196V194-H196 VanDerWaalsContact C-N 3.33Å; V194-H196 WeakPolarHBondContact CG1-CE1 3.37Å; V194-H196 WeakPolarHBondContact CG1-ND1 3.3Å; V194-H196 PolarHBondContact O-N 3.28Å; V194-H196 PolarHBondContact O-ND1 3.39Å
195V26.3Very low27.2Very low112 Ų112154.5 Ų154.568%0.67976%0.762SS**  trans-57.8104.2153.3173.60000105.9
196H28.7Very low26.8Very low156 Ų156151.8 Ų151.872%0.72275%0.754SS**  trans-67.2131.9163.5-7567.8000106.6V194V194-H196 VanDerWaalsContact C-N 3.33Å; V194-H196 WeakPolarHBondContact CG1-CE1 3.37Å; V194-H196 WeakPolarHBondContact CG1-ND1 3.3Å; V194-H196 PolarHBondContact O-N 3.28Å; V194-H196 PolarHBondContact O-ND1 3.39Å
197P28Very low26.6Very low92 Ų92146.9 Ų146.960%0.59775%0.75SS**  trans-67.2147.3-161.726.1-35.3000111.5I199P197-I199 VanDerWaalsContact C-N 3.32Å; P197-I199 HydrophobicContact CG-CG1 4.49Å; P197-I199 PolarHBondContact O-N 3.38Å
198P24.2Very low26.4Very low106 Ų106148.6 Ų148.669%0.68875%0.748SS**  trans-67.196165.129-31.8000107.8T200P198-T200 PolarHBondContact O-N 3.22Å; P198-T200 PolarHBondContact O-OG1 2.87Å
199I27.8Very low26.1Very low137 Ų137149 Ų14970%0.70375%0.75SS**  trans-64.4103.6177.7-58.2-177.6000107.4P197 Y201P197-I199 VanDerWaalsContact C-N 3.32Å; P197-I199 HydrophobicContact CG-CG1 4.49Å; P197-I199 PolarHBondContact O-N 3.38Å; I199-Y201 HydrophobicContact CG2-CD2 3.85Å; I199-Y201 HydrophobicContact CG2-CE2 3.75Å; I199-Y201 PolarHBondContact O-N 3.42Å
200T24.5Very low25.9Very low113 Ų113145.5 Ų145.569%0.69374%0.742SS**  trans-84.496.2-173.2-59.80000109P198P198-T200 PolarHBondContact O-N 3.22Å; P198-T200 PolarHBondContact O-OG1 2.87Å
201Y27.2Very low25.7Very low210 Ų210146.9 Ų146.982%0.82474%0.744SS**  trans-111.590.8150.6-69.7-79.1000105.6I199I199-Y201 HydrophobicContact CG2-CD2 3.85Å; I199-Y201 HydrophobicContact CG2-CE2 3.75Å; I199-Y201 PolarHBondContact O-N 3.42Å
202A24.4Very low25.8Very low61 Ų61141.9 Ų141.950%0.50474%0.736SS.*  67.3112.274.400000111.9
203H25.1Very low25.7Very low189 Ų189139.4 Ų139.488%0.87574%0.736SS**  trans67.9131.5178.1-46.7-83.2000114.4
204S26.4Very low25.9Very low112 Ų112144 Ų14478%0.78375%0.745SS**  cis-152.9161.317.952.10000112.2
205K24.1Very low25.9Very low210 Ų210144.1 Ų144.191%0.91374%0.742SS**  trans-66129.9172.1-65.1171177.5174.80109.7
206S25.1Very low26.1Very low85 Ų85145.1 Ų145.159%0.59474%0.744SS**  trans-152.8108155.6-165.30000111.4Y208S206-Y208 PolarHBondContact O-N 3.05Å; S206-Y208 WeakPolarHBondContact OG-CD2 3.46Å; S206-Y208 WeakPolarHBondContact OG-CE2 3.26Å
207T23.4Very low26.1Very low135 Ų135145.5 Ų145.583%0.82874%0.743SS**  trans-76.6109.6176.2-51.10000109.4
208Y25.8Very low26.1Very low196 Ų196144.7 Ų144.777%0.76974%0.74SS**  trans-128.2112.3163-78.1-73.3000110.8S206 S210S206-Y208 PolarHBondContact O-N 3.05Å; S206-Y208 WeakPolarHBondContact OG-CD2 3.46Å; S206-Y208 WeakPolarHBondContact OG-CE2 3.26Å; Y208-S210 PolarHBondContact O-N 2.77Å
209K24.4Very low26.2Very low213 Ų213146.3 Ų146.393%0.92674%0.741SS**  trans-69.3113.4150.2-74-177.7175.1-176.60106.3
210S25.4Very low26.4Very low80 Ų80147.1 Ų147.156%0.55974%0.742SS**  trans-136.3110.7163.1-168.50000107.1Y208 N212Y208-S210 PolarHBondContact O-N 2.77Å; S210-N212 PolarHBondContact O-N 3.22Å; S210-N212 PolarHBondContact OG-ND2 3.2Å
211E24.7Very low26.5Very low190 Ų190146.2 Ų146.289%0.88873%0.729SS**  trans-54.8129.5145.1-63.6162.4151.500106.1
212N27.9Very low26.6Very low140 Ų140139 Ų13975%0.74971%0.708SS**  trans-164.8126.6160.3-100.9-39.2000110.2S210 Y214S210-N212 PolarHBondContact O-N 3.22Å; S210-N212 PolarHBondContact OG-ND2 3.2Å; N212-Y214 PolarHBondContact O-N 2.78Å
213N25.7Very low26.8Very low138 Ų138138.4 Ų138.474%0.73870%0.695SS**  trans-42.6127.3172.1-69.5-61.9000112.8
214Y28.2Very low27Very low229 Ų229134 Ų13490%0.89868%0.682SS**  trans-118.9111.2143.9-127.1-96.6000107.5N212 D216N212-Y214 PolarHBondContact O-N 2.78Å; Y214-D216 PolarHBondContact O-N 3.3Å; Y214-D216 VanDerWaalsContact O-N 3.15Å
215N26.3Very low27.1Very low122 Ų122130.1 Ų130.165%0.65265%0.652SS**  trans-7597.4174.3-80.2-48.3000108.3
216D31.8Very low27.5Very low134 Ų134121.4 Ų121.472%0.71762%0.619SS**  trans-103.781.7158.6-158.9-15.9000108.6Y214 S218Y214-D216 PolarHBondContact O-N 3.3Å; Y214-D216 VanDerWaalsContact O-N 3.15Å; D216-S218 PolarHBondContact OD1-OG 3.35Å
217K27.7Very low27.8Very low164 Ų164123.7 Ų123.771%0.71362%0.62SS**  trans-103.745.1176.2-76.3-175.2177.4174.80110.6I219K217-I219 PolarHBondContact O-N 3.41Å
218S27.1Very low28.2Very low74 Ų74119.7 Ų119.752%0.51759%0.591SS.*  trans-70.465.3165.749.50000110.6D216 H220D216-S218 PolarHBondContact OD1-OG 3.35Å; S218-H220 PolarHBondContact O-N 3.46Å
219I27.8Very low28.6Very low141 Ų141115.4 Ų115.472%0.72358%0.581SS**  trans-67.998.8170.5-60176.1000106.7K217 E221K217-I219 PolarHBondContact O-N 3.41Å; I219-E221 VanDerWaalsContact C-N 3.26Å; I219-E221 PolarHBondContact O-N 3.27Å
220H30.6Very low29.2Very low153 Ų153106.7 Ų106.771%0.70855%0.545SS*.  trans-6689.5169.1-67.1-48.5000109.5S218 V222S218-H220 PolarHBondContact O-N 3.46Å; H220-V222 PolarHBondContact O-N 3.02Å
221E27.6Very low29.6Very low94 Ų94106 Ų10644%0.43954%0.539SS..  trans-72.8116.3173.2-177157.6-142.900109.4I219 I223I219-E221 VanDerWaalsContact C-N 3.26Å; I219-E221 PolarHBondContact O-N 3.27Å; E221-I223 HydrophobicContact CG-CG1 4.38Å; E221-I223 PolarHBondContact O-N 3.47Å
222V30.2Very low30Very low60 Ų60104.3 Ų104.336%0.36454%0.535SS..  trans-69.1103169.6-179.10000108.1H220 K368H220-V222 PolarHBondContact O-N 3.02Å; V222-K368 PolarHBondContact O-NZ 3.48Å
223I27.9Very low30.3Very low47 Ų47105 Ų10524%0.24154%0.539CS..BIsolated β-bridgetrans-88.7120173.1-56.6170.8000107.9M105 E221 L225M105-I223 HydrophobicContact SD-CD1 4.38Å; E221-I223 HydrophobicContact CG-CG1 4.38Å; E221-I223 PolarHBondContact O-N 3.47Å; I223-L225 HydrophobicContact CG2-CD2 3.88Å; I223-L225 PolarHBondContact O-N 2.71Å
224V30Very low30.7Very low98 Ų98100.2 Ų100.259%0.59451%0.513SS*.  trans-82.4107.6170178.90000107.4
225L27.4Very low31.1Very low29 Ų2997.4 Ų97.415%0.15251%0.506CS..  trans-74.1-36.3-178.5-70.1-167.3000113.5C101 F118 I123 I223 W292C101-L225 HydrophobicContact CB-CD1 3.97Å; C101-L225 HydrophobicContact CB-CG 4.23Å; C101-L225 WeakPolarHBondContact SG-CD1 3.32Å; F118-L225 HydrophobicContact CE1-CD2 3.99Å; F118-L225 HydrophobicContact CZ-CD2 4.02Å; I123-L225 HydrophobicContact CG2-CD1 3.7Å; I123-L225 HydrophobicContact CG2-CD2 4.33Å; I223-L225 HydrophobicContact CG2-CD2 3.88Å; I223-L225 PolarHBondContact O-N 2.71Å; L225-W292 HydrophobicContact CD1-CH2 4.06Å
226A31.9Very low31.5Very low28 Ų2894.4 Ų94.423%0.23149%0.487CS..  trans-153.2148.8178.500000110.2L99 F228 W304L99-A226 HydrophobicContact CD1-CB 4.11Å; A226-F228 HydrophobicContact CB-CE2 3.98Å; A226-F228 HydrophobicContact CB-CZ 4.47Å; A226-W304 HydrophobicContact CB-CH2 4.4Å; A226-W304 HydrophobicContact CB-CZ2 4.45Å
227E32Very low31.5Very low132 Ų13291.3 Ų91.362%0.61747%0.473SS*.  trans-119.6119.7170.4-178.5171.8-161.700108.9L229E227-L229 HydrophobicContact CG-CD2 4.18Å
228F32.8Very low31.7Very low51 Ų5189.9 Ų89.922%0.22447%0.473CS..  trans-91.6108.2176.3-72-83.8000110.1L97 L99 A226 L230 W304 F307 E308 L311L97-F228 HydrophobicContact CD2-CD2 4.27Å; L99-F228 HydrophobicContact CD1-CD2 4.32Å; L99-F228 HydrophobicContact CD1-CE2 4.05Å; A226-F228 HydrophobicContact CB-CE2 3.98Å; A226-F228 HydrophobicContact CB-CZ 4.47Å; F228-L230 PolarHBondContact O-N 3.21Å; F228-W304 AromaticContact CE2-CE3 3.82Å; F228-W304 HydrophobicContact CE2-CE3 3.82Å; F228-W304 HydrophobicContact CE2-CH2 4.29Å; F228-W304 AromaticContact CE2-CZ3 3.49Å; F228-W304 HydrophobicContact CE2-CZ3 3.49Å; F228-W304 VanDerWaalsContact CE2-CZ3 3.49Å; F228-W304 HydrophobicContact CZ-CD2 4.34Å; F228-W304 AromaticContact CZ-CE3 3.45Å; F228-W304 HydrophobicContact CZ-CE3 3.45Å; F228-W304 VanDerWaalsContact CZ-CE3 3.45Å; F228-W304 AromaticContact CZ-CZ3 3.67Å; F228-W304 HydrophobicContact CZ-CZ3 3.67Å; F228-F307 HydrophobicContact CD2-CE1 4.47Å; F228-F307 HydrophobicContact CE2-CD1 4.17Å; F228-F307 HydrophobicContact CE2-CE1 4.12Å; F228-F307 HydrophobicContact CZ-CD1 4.04Å; F228-F307 HydrophobicContact CZ-CE1 4.44Å; F228-E308 HydrophobicContact CE1-CB 4.06Å; F228-E308 HydrophobicContact CE1-CG 4.37Å; F228-L311 HydrophobicContact CD1-CD1 4.47Å; F228-L311 HydrophobicContact CG-CD1 4.39Å
229L33.3Very low31.9Very low106 Ų10692.9 Ų92.956%0.55547%0.473SS*.  trans-84.691.9172.6-62.1-179.2000109.5E227E227-L229 HydrophobicContact CG-CD2 4.18Å
230L36.7Very low32.2Very low31 Ų3188 Ų8816%0.16245%0.448CS..  trans-60.1139.5169.1-73.8171.3000110.5F228 I234 F236 L312F228-L230 PolarHBondContact O-N 3.21Å; L230-I234 HydrophobicContact CD2-CB 4.4Å; L230-I234 HydrophobicContact CD2-CG2 4.01Å; L230-F236 HydrophobicContact CD1-CD2 3.59Å; L230-F236 HydrophobicContact CD1-CE1 4.28Å; L230-F236 HydrophobicContact CD1-CE2 3.26Å; L230-F236 HydrophobicContact CD1-CG 4.25Å; L230-F236 HydrophobicContact CD1-CZ 3.64Å; L230-F236 HydrophobicContact CG-CE2 4.45Å; L230-L312 HydrophobicContact CD2-CD2 3.93Å
231P33.1Very low32.4Very low66 Ų6686 Ų8643%0.42945%0.447SS..  trans-56.7146.2167.1-2232.4000111.1N233 I234 L312P231-N233 PolarHBondContact O-N 3.2Å; P231-I234 HydrophobicContact CB-CD1 4.44Å; P231-I234 HydrophobicContact CB-CG1 4.34Å; P231-I234 HydrophobicContact CG-CD1 3.94Å; P231-I234 HydrophobicContact CG-CG1 4.35Å; P231-I234 PolarHBondContact O-N 2.86Å; P231-L312 HydrophobicContact CG-CD2 4.39Å
232D34.7Very low32.6Very low153 Ų15384.3 Ų84.382%0.81844%0.443SS*.THydrogen-bonded Turntrans-56.1-16.6-173.7-61.8-40.8000115
233N33.5Very low32.9Very low155 Ų15582.2 Ų82.283%0.82943%0.429SS*.THydrogen-bonded Turntrans-96.9-13.2-178.5-61.7-25.6000114.2P231P231-N233 PolarHBondContact O-N 3.2Å
234I34.2Very low33.1Very low37 Ų3787.6 Ų87.619%0.1945%0.454CS..  trans-97.1130.9-178.5-56.4-174.7000109.4L230 P231 L312L230-I234 HydrophobicContact CD2-CB 4.4Å; L230-I234 HydrophobicContact CD2-CG2 4.01Å; P231-I234 HydrophobicContact CB-CD1 4.44Å; P231-I234 HydrophobicContact CB-CG1 4.34Å; P231-I234 HydrophobicContact CG-CD1 3.94Å; P231-I234 HydrophobicContact CG-CG1 4.35Å; P231-I234 PolarHBondContact O-N 2.86Å; I234-L312 HydrophobicContact CD1-CD2 3.9Å
235K35.9Very low33.3Very low171 Ų17188.1 Ų88.174%0.74345%0.453SS*.  trans-114.2140.9175.9-65.3179.5-177.4175.50109T237K235-T237 PolarHBondContact O-N 3.02Å; K235-T237 VanDerWaalsContact O-N 3.1Å
236F34.5Very low33.7Very low58 Ų5888.9 Ų88.925%0.25446%0.459SS..  trans-54.6121.3163.2-70.7-84.6000109.1C95 L97 L230 L240 L311C95-F236 HydrophobicContact CB-CD2 3.5Å; C95-F236 HydrophobicContact CB-CE2 3.87Å; L97-F236 HydrophobicContact CB-CE1 4.49Å; L97-F236 HydrophobicContact CB-CZ 3.96Å; L230-F236 HydrophobicContact CD1-CD2 3.59Å; L230-F236 HydrophobicContact CD1-CE1 4.28Å; L230-F236 HydrophobicContact CD1-CE2 3.26Å; L230-F236 HydrophobicContact CD1-CG 4.25Å; L230-F236 HydrophobicContact CD1-CZ 3.64Å; L230-F236 HydrophobicContact CG-CE2 4.45Å; F236-L240 HydrophobicContact CD1-CD1 4.47Å; F236-L311 HydrophobicContact CD1-CD2 4.38Å; F236-L311 HydrophobicContact CE1-CD2 3.93Å
237T33.2Very low33.8Very low70 Ų7089 Ų8943%0.42945%0.454SS..  trans-86.6154.7162.4630000108.3K235 R239K235-T237 PolarHBondContact O-N 3.02Å; K235-T237 VanDerWaalsContact O-N 3.1Å; T237-R239 PolarHBondContact O-N 3.28Å
238D32.1Very low33.7Very low134 Ų13486.9 Ų86.972%0.71745%0.454SS*.SBendtrans-69.223.1-179.6-58.8-41.2000113.5
239R31.2Very low33.6Very low137 Ų13792.1 Ų92.152%0.51748%0.484SS..  trans-105.621-165-60-173.8176-148.2-7114.4T237 V241 T242 N317T237-R239 PolarHBondContact O-N 3.28Å; R239-V241 PolarHBondContact O-N 2.74Å; R239-T242 PolarHBondContact O-OG1 3.21Å; R239-N317 PolarHBondContact NH1-OD1 3.28Å
240L32.7Very low33.3Very low38 Ų3888.8 Ų88.820%0.19947%0.469CS..THydrogen-bonded Turntrans-63.39.9174-82.7158.7000115I129 F236 T242 L311I129-L240 HydrophobicContact CG2-CD1 3.74Å; I129-L240 HydrophobicContact CG2-CD2 4.16Å; I129-L240 HydrophobicContact CG2-CG 4.36Å; F236-L240 HydrophobicContact CD1-CD1 4.47Å; L240-T242 VanDerWaalsContact C-N 3.32Å; L240-L311 HydrophobicContact CD2-CD2 4.06Å
241V34.5Very low32.8Very low112 Ų11295.2 Ų95.268%0.67950%0.496SS*.THydrogen-bonded Turntrans-80.4-8.2178-176.60000112.2R239R239-V241 PolarHBondContact O-N 2.74Å
242T33.1Very low32.5Very low57 Ų5798.1 Ų98.135%0.3551%0.507SS..  trans-97.52.9-167.253.70000116.6R239 L240 E244 N245R239-T242 PolarHBondContact O-OG1 3.21Å; L240-T242 VanDerWaalsContact C-N 3.32Å; T242-E244 PolarHBondContact O-N 2.84Å; T242-N245 WeakPolarHBondContact O-CB 3.47Å; T242-N245 PolarHBondContact O-N 3.44Å
243L36Very low32Very low16 Ų1693.6 Ų93.68%0.08449%0.485CS..Hα-helixtrans-63.7-27.4-179.9-76.8164.4000113.3I129 N245 V246 F247 I290 F307 V310I129-L243 HydrophobicContact CD1-CD1 3.87Å; L243-N245 PolarHBondContact O-N 3.24Å; L243-V246 HydrophobicContact CD2-CB 4.49Å; L243-V246 HydrophobicContact CD2-CG2 4.38Å; L243-V246 WeakPolarHBondContact O-CB 3.38Å; L243-V246 PolarHBondContact O-N 3.44Å; L243-F247 HydrophobicContact CB-CD2 4.4Å; L243-F247 HydrophobicContact CB-CE2 4.21Å; L243-F247 HydrophobicContact CD2-CE2 4.19Å; L243-F247 WeakPolarHBondContact O-CD2 3.28Å; L243-F247 PolarHBondContact O-N 3.47Å; L243-F247 VanDerWaalsContact O-N 3.09Å; L243-I290 HydrophobicContact CD1-CD1 3.65Å; L243-F307 HydrophobicContact CD1-CD2 4.18Å; L243-F307 HydrophobicContact CD1-CE2 3.99Å; L243-F307 HydrophobicContact CD2-CD2 4.28Å; L243-V310 HydrophobicContact CD2-CG1 4.34Å
244E32.5Very low31.7Very low161 Ų16192.6 Ų92.675%0.75248%0.48SS*.Hα-helixtrans-55.9-33.9171.8-65.4-174.314000112.8T242 S248T242-E244 PolarHBondContact O-N 2.84Å; E244-S248 PolarHBondContact O-N 2.83Å
245N34.3Very low31.3Very low108 Ų10896.8 Ų96.858%0.57849%0.494SS*.Hα-helixtrans-80-20.4177.9-64.9-35.8000113T242 L243 S248T242-N245 WeakPolarHBondContact O-CB 3.47Å; T242-N245 PolarHBondContact O-N 3.44Å; L243-N245 PolarHBondContact O-N 3.24Å; N245-S248 PolarHBondContact O-OG 2.87Å
246V35Very low30.8Very low46 Ų4698 Ų9828%0.27950%0.5SS..Hα-helixtrans-80-31.8175.9-177.50000110.2L243 S248 L306 V310L243-V246 HydrophobicContact CD2-CB 4.49Å; L243-V246 HydrophobicContact CD2-CG2 4.38Å; L243-V246 WeakPolarHBondContact O-CB 3.38Å; L243-V246 PolarHBondContact O-N 3.44Å; V246-S248 VanDerWaalsContact C-N 3.33Å; V246-L306 HydrophobicContact CG1-CD1 4.37Å; V246-V310 HydrophobicContact CB-CG2 4.5Å; V246-V310 HydrophobicContact CG1-CG2 4.06Å; V246-V310 HydrophobicContact CG2-CG1 4.41Å; V246-V310 HydrophobicContact CG2-CG2 3.64Å
247F34.9Very low30.4Very low29 Ų29100.9 Ų100.913%0.12752%0.522CS..SBendtrans-92.621174.6-62.3-60.5000113.1L243 D249 C250 I295 I298 F303L243-F247 HydrophobicContact CB-CD2 4.4Å; L243-F247 HydrophobicContact CB-CE2 4.21Å; L243-F247 HydrophobicContact CD2-CE2 4.19Å; L243-F247 WeakPolarHBondContact O-CD2 3.28Å; L243-F247 PolarHBondContact O-N 3.47Å; L243-F247 VanDerWaalsContact O-N 3.09Å; F247-D249 PolarHBondContact O-N 2.63Å; F247-D249 VanDerWaalsContact O-N 3.11Å; F247-C250 HydrophobicContact CB-CB 3.97Å; F247-C250 HydrophobicContact CD1-CB 4.03Å; F247-C250 HydrophobicContact CG-CB 4.46Å; F247-C250 CarbonylContact O-C 3.58Å; F247-C250 WeakPolarHBondContact O-CA 3.31Å; F247-C250 PolarHBondContact O-N 3.08Å; F247-C250 VanDerWaalsContact O-O 3.11Å; F247-I295 HydrophobicContact CD1-CD1 4.42Å; F247-I295 HydrophobicContact CE1-CD1 4.11Å; F247-I295 HydrophobicContact CZ-CD1 4.26Å; F247-I298 HydrophobicContact CE1-CD1 4.22Å; F247-F303 HydrophobicContact CE1-CD2 4.17Å; F247-F303 HydrophobicContact CE1-CE2 4.26Å; F247-F303 HydrophobicContact CE2-CE2 4.24Å; F247-F303 AromaticContact CZ-CD2 3.81Å; F247-F303 HydrophobicContact CZ-CD2 3.81Å; F247-F303 AromaticContact CZ-CE2 3.48Å; F247-F303 HydrophobicContact CZ-CE2 3.48Å; F247-F303 VanDerWaalsContact CZ-CE2 3.48Å; F247-F303 HydrophobicContact CZ-CZ 4.44Å
248S29.9Very low29.8Very low88 Ų88101.7 Ų101.762%0.61554%0.536SS*.THydrogen-bonded Turntrans-58.8-26.9-17756.40000114.4E244 N245 V246E244-S248 PolarHBondContact O-N 2.83Å; N245-S248 PolarHBondContact O-OG 2.87Å; V246-S248 VanDerWaalsContact C-N 3.33Å
249D31.1Very low29.5Very low162 Ų162101.3 Ų101.387%0.86653%0.533SS*.THydrogen-bonded Turntrans-95.9-7.5174.2-62.9-35.4000113.3F247F247-D249 PolarHBondContact O-N 2.63Å; F247-D249 VanDerWaalsContact O-N 3.11Å
250C26.3Very low29.1Very low35 Ų35100.7 Ų100.724%0.23654%0.544CS..  trans-102.2103.1-176.9-72.20000110.8F247 L252 I295F247-C250 HydrophobicContact CB-CB 3.97Å; F247-C250 HydrophobicContact CD1-CB 4.03Å; F247-C250 HydrophobicContact CG-CB 4.46Å; F247-C250 CarbonylContact O-C 3.58Å; F247-C250 WeakPolarHBondContact O-CA 3.31Å; F247-C250 PolarHBondContact O-N 3.08Å; F247-C250 VanDerWaalsContact O-O 3.11Å; C250-L252 PolarHBondContact O-N 2.99Å; C250-I295 HydrophobicContact CB-CG2 3.82Å
251K25.7Very low28.7Very low166 Ų166107.3 Ų107.372%0.72257%0.572SS**  trans-79.7104.8-177.9-167.5176.7-174.1177.80110.8T253K251-T253 HydrophobicContact CD-CG2 4.44Å; K251-T253 HydrophobicContact CG-CG2 4.19Å; K251-T253 PolarHBondContact O-N 2.85Å
252L26.3Very low28.3Very low127 Ų127110.5 Ų110.567%0.66558%0.579SS**  trans-57.1110.1168.3-77.2164.2000109.8C250 I295C250-L252 PolarHBondContact O-N 2.99Å; L252-I295 HydrophobicContact CD2-CG1 3.92Å
253T25.8Very low27.9Very low59 Ų59116.9 Ų116.936%0.36261%0.605SS.*  trans-108.9115.6174.270.10000110.4K251 Y255 D296K251-T253 HydrophobicContact CD-CG2 4.44Å; K251-T253 HydrophobicContact CG-CG2 4.19Å; K251-T253 PolarHBondContact O-N 2.85Å; T253-Y255 PolarHBondContact O-N 2.85Å; T253-D296 PolarHBondContact OG1-OD2 3.33Å
254N26.7Very low27.5Very low134 Ų134121.5 Ų121.572%0.71764%0.639SS**  trans-76110.5179.3-178.1-18.7000109.7
255Y25.6Very low27.1Very low124 Ų124120.2 Ų120.249%0.48664%0.642SS.*  trans-93.2121.317563.4-104.1000112.2T253 H294T253-Y255 PolarHBondContact O-N 2.85Å; Y255-H294 AromaticContact CD1-CD2 3.41Å; Y255-H294 VanDerWaalsContact CD1-CD2 3.41Å; Y255-H294 WeakPolarHBondContact CD1-CD2 3.28Å; Y255-H294 AromaticContact CD1-NE2 3.88Å; Y255-H294 HydrophobicContact CE1-CB 4.26Å; Y255-H294 AromaticContact CE1-CD2 3.14Å; Y255-H294 WeakPolarHBondContact CE1-CD2 3.26Å; Y255-H294 AromaticContact CE1-CE1 3.79Å; Y255-H294 AromaticContact CE1-CG 3.49Å; Y255-H294 VanDerWaalsContact CE1-CG 3.49Å; Y255-H294 AromaticContact CE1-ND1 3.86Å; Y255-H294 AromaticContact CE1-NE2 3.39Å; Y255-H294 WeakPolarHBondContact CE1-NE2 3.3Å; Y255-H294 AromaticContact CE2-NE2 3.71Å; Y255-H294 AromaticContact CZ-CD2 3.6Å; Y255-H294 AromaticContact CZ-CE1 3.52Å; Y255-H294 AromaticContact CZ-ND1 3.98Å; Y255-H294 AromaticContact CZ-NE2 3.27Å; Y255-H294 VanDerWaalsContact CZ-NE2 3.27Å; Y255-H294 PolarHBondContact OH-CE1 3.39Å; Y255-H294 VanDerWaalsContact OH-CE1 3.28Å
256K26.4Very low26.7Very low198 Ų198118.4 Ų118.486%0.86165%0.65SS**SBendtrans60.567.4165-63.7178.1176.61720116.9
257T24.7Very low26.4Very low118 Ų118125.3 Ų125.372%0.72468%0.679SS**SBend-124.8132107.5-58.70000107.9L259T257-L259 VanDerWaalsContact C-N 3.35Å; T257-L259 PolarHBondContact O-N 3.31Å
258A21.8Very low26Very low86 Ų86131.8 Ų131.871%0.71172%0.715SS**  trans-74.786.7-175.400000110.9T260A258-T260 VanDerWaalsContact C-N 3.26Å; A258-T260 PolarHBondContact O-N 3.5Å
259L24.5Very low25.8Very low127 Ų127139.5 Ų139.567%0.66573%0.73SS**  trans-67.992.1156.5-69.4176.6000107.4T257 F261T257-L259 VanDerWaalsContact C-N 3.35Å; T257-L259 PolarHBondContact O-N 3.31Å; L259-F261 HydrophobicContact CB-CD2 4.08Å; L259-F261 HydrophobicContact CB-CE2 3.68Å; L259-F261 HydrophobicContact CB-CZ 4.43Å; L259-F261 HydrophobicContact CD1-CE2 4.17Å; L259-F261 HydrophobicContact CD1-CZ 4.4Å; L259-F261 WeakPolarHBondContact O-CD2 3.37Å; L259-F261 PolarHBondContact O-N 3.05Å
260T22.6Very low25.8Very low123 Ų123140.1 Ų140.176%0.75573%0.728SS**  trans-68.584171.740.20000109.9A258 Q262A258-T260 VanDerWaalsContact C-N 3.26Å; A258-T260 PolarHBondContact O-N 3.5Å; T260-Q262 VanDerWaalsContact C-N 3.3Å; T260-Q262 PolarHBondContact O-N 3.06Å
261F26Very low25.8Very low177 Ų177146 Ų14678%0.77676%0.757SS**  trans-65.793.3160.1-68.3-81.8000107.9L259 Q263L259-F261 HydrophobicContact CB-CD2 4.08Å; L259-F261 HydrophobicContact CB-CE2 3.68Å; L259-F261 HydrophobicContact CB-CZ 4.43Å; L259-F261 HydrophobicContact CD1-CE2 4.17Å; L259-F261 HydrophobicContact CD1-CZ 4.4Å; L259-F261 WeakPolarHBondContact O-CD2 3.37Å; L259-F261 PolarHBondContact O-N 3.05Å; F261-Q263 PolarHBondContact O-N 3.02Å
262Q25.1Very low25.7Very low179 Ų179143.9 Ų143.984%0.83676%0.762SS**  trans-60.8131.4169.4-73.7-171-54.600108.6T260 S264T260-Q262 VanDerWaalsContact C-N 3.3Å; T260-Q262 PolarHBondContact O-N 3.06Å; Q262-S264 VanDerWaalsContact C-N 3.34Å; Q262-S264 PolarHBondContact O-N 3.36Å
263Q25.1Very low25.7Very low191 Ų191145.1 Ų145.189%0.89377%0.769SS**  trans-65.792.7172.6-70.4173.8-27.500109.3F261 T265F261-Q263 PolarHBondContact O-N 3.02Å; Q263-T265 PolarHBondContact O-N 3.42Å
264S26.4Very low26Very low113 Ų113148 Ų14879%0.7978%0.783SS**  trans-69.799.716444.80000108.4Q262 G266Q262-S264 VanDerWaalsContact C-N 3.34Å; Q262-S264 PolarHBondContact O-N 3.36Å; S264-G266 PolarHBondContact O-N 2.85Å
265T25.1Very low26.2Very low134 Ų134148 Ų14882%0.82278%0.778SS**  trans-47.2130.2167.146.70000110Q263Q263-T265 PolarHBondContact O-N 3.42Å
266G26.6Very low26.4Very low71 Ų71144.4 Ų144.473%0.73277%0.771SS**SBendtrans-65.1134.9-156.400000115.6S264S264-G266 PolarHBondContact O-N 2.85Å
267Q28Very low26.4Very low190 Ų190140.6 Ų140.689%0.88876%0.76SS**  trans-151.6-8.2140.1-118175.8-71.500115.1
268D26.1Very low26.6Very low166 Ų166139.4 Ų139.489%0.88875%0.752SS**  trans-97.8104.4176.5-61.8-47.7000111.6
269R26Very low26.9Very low249 Ų249140.5 Ų140.594%0.9475%0.745SS**  trans-116.454.1-178.7-143.3-177.1-169165.32.1110.9
270E30.1Very low27Very low175 Ų175140.9 Ų140.982%0.81875%0.748SS**SBendtrans-157.7148.1170.5-104.7156.6-152.900107.8
271N26.8Very low27.2Very low158 Ų158142.1 Ų142.185%0.84575%0.749SS**  trans7372.5-177.1-52.9-22.1000117.6
272C23.8Very low27.3Very low122 Ų122138.6 Ų138.682%0.82474%0.737SS**  trans-12938.4156.9-73.40000111.2
273N26.7Very low27.3Very low153 Ų153131.9 Ų131.982%0.81871%0.711SS**  trans-125.529.8-171.8-79-3.7000113.1
274D31.9Very low27.4Very low121 Ų121127.3 Ų127.365%0.64770%0.698SS**  trans-112.787.9174.2-143.8-22.4000110.8S276D274-S276 VanDerWaalsContact C-N 3.31Å; D274-S276 VanDerWaalsContact OD1-CB 3.3Å; D274-S276 WeakPolarHBondContact OD1-CB 3.41Å; D274-S276 PolarHBondContact OD1-N 2.74Å; D274-S276 PolarHBondContact OD1-OG 3.45Å
275H31.9Very low27.4Very low133 Ų133127.7 Ų127.762%0.61670%0.695SS**  trans-90.25.6173.9-71.9-71.2000112.4D277 V278 I279H275-D277 PolarHBondContact O-N 3.46Å; H275-V278 PolarHBondContact O-N 3.37Å; H275-I279 PolarHBondContact O-N 3.29Å
276S28.3Very low27.7Very low48 Ų48126.6 Ų126.634%0.33668%0.684SS.*Hα-helixtrans-63.1-41.3-177.362.60000112.6D274 V278 I279 D280D274-S276 VanDerWaalsContact C-N 3.31Å; D274-S276 VanDerWaalsContact OD1-CB 3.3Å; D274-S276 WeakPolarHBondContact OD1-CB 3.41Å; D274-S276 PolarHBondContact OD1-N 2.74Å; D274-S276 PolarHBondContact OD1-OG 3.45Å; S276-V278 PolarHBondContact O-N 2.83Å; S276-V278 VanDerWaalsContact O-N 3.11Å; S276-I279 PolarHBondContact O-N 3.26Å; S276-D280 PolarHBondContact O-N 2.76Å
277D27.5Very low27.9Very low118 Ų118124.1 Ų124.163%0.63166%0.658SS**Hα-helixtrans-57.9-27.3179.3-69.5-21.5000114.2H275H275-D277 PolarHBondContact O-N 3.46Å
278V28.5Very low28.2Very low93 Ų93117.4 Ų117.456%0.56463%0.63SS**Hα-helixtrans-84.3-31.1177.7-175.50000111.2H275 S276H275-V278 PolarHBondContact O-N 3.37Å; S276-V278 PolarHBondContact O-N 2.83Å; S276-V278 VanDerWaalsContact O-N 3.11Å
279I28.1Very low28.7Very low109 Ų109113.9 Ų113.956%0.55961%0.611SS**Hα-helixtrans-75.8-34.8177.7-63.4169.9000110.3H275 S276 L281 L282H275-I279 PolarHBondContact O-N 3.29Å; S276-I279 PolarHBondContact O-N 3.26Å; I279-L281 PolarHBondContact O-N 3.3Å; I279-L282 WeakPolarHBondContact O-CB 3.39Å; I279-L282 PolarHBondContact O-N 2.89Å
280D27.4Very low29.5Very low136 Ų136102.8 Ų102.873%0.72757%0.57SS**THydrogen-bonded Turntrans-71.3-13.8175.7-81.6-8.3000113.7S276S276-D280 PolarHBondContact O-N 2.76Å
281L26.8Very low30.1Very low148 Ų14895.8 Ų95.878%0.77554%0.538SS*.THydrogen-bonded Turntrans-80.2-17.2167.6-74.8164.6000112.9I279 S283I279-L281 PolarHBondContact O-N 3.3Å; L281-S283 PolarHBondContact O-N 2.89Å
282L26.4Very low31.2Very low103 Ų10389.2 Ų89.254%0.53950%0.502SS..SBendtrans-90.573.4174.3-65.6169.8000109.9I279I279-L282 WeakPolarHBondContact O-CB 3.39Å; I279-L282 PolarHBondContact O-N 2.89Å
283S24.9Very low31.9Very low39 Ų3988.5 Ų88.527%0.27349%0.486SS..  trans-53.7127.6174.9160.70000110.7L281 V285 D286L281-S283 PolarHBondContact O-N 2.89Å; S283-V285 PolarHBondContact O-N 3.32Å; S283-V285 PolarHBondContact OG-N 3.27Å; S283-D286 WeakPolarHBondContact CB-OD2 3.14Å; S283-D286 PolarHBondContact O-N 3.21Å; S283-D286 PolarHBondContact OG-OD2 3.08Å
284P27.3Very low32.7Very low95 Ų9582.9 Ų82.962%0.61746%0.455SS*.THydrogen-bonded Turntrans-7013.5178.829.9-36.5000113.9
285V27.3Very low33.3Very low121 Ų12177.7 Ų77.773%0.73343%0.427SS*.THydrogen-bonded Turntrans-116.6-25.4173.5-172.90000110.9S283S283-V285 PolarHBondContact O-N 3.32Å; S283-V285 PolarHBondContact OG-N 3.27Å
286D30.9Very low33.9Very low110 Ų11076.5 Ų76.559%0.58843%0.425SS*.SBendtrans-109.9117.1-173-55.2-66000109.1S283S283-D286 WeakPolarHBondContact CB-OD2 3.14Å; S283-D286 PolarHBondContact O-N 3.21Å; S283-D286 PolarHBondContact OG-OD2 3.08Å
287G30.4Very low34.6Very low19 Ų1978.3 Ų78.320%0.19645%0.451CS..  trans-61.6159.6-166.800000115.7I129 L289I129-G287 CarbonylContact O-C 3.49Å; I129-G287 WeakPolarHBondContact O-CA 3.41Å; G287-L289 PolarHBondContact O-N 2.86Å; G287-L289 VanDerWaalsContact O-N 3.11Å
288V34.6Very low35.6Very low50 Ų5074.2 Ų74.230%0.30343%0.429SS..EExtended strand (participates in β ladder)trans-54.2121.3173.2-177.50000108.6I127 R128 I129 V131 I290I127-V288 VanDerWaalsContact O-O 3.13Å; R128-V288 WeakPolarHBondContact CA-O 3.21Å; I129-V288 HydrophobicContact CB-CB 4.45Å; I129-V288 PolarHBondContact N-O 2.89Å; I129-V288 VanDerWaalsContact N-O 3.08Å; I129-V288 PolarHBondContact O-N 2.95Å; V131-V288 HydrophobicContact CG2-CG2 3.99Å; V288-I290 HydrophobicContact CG1-CG1 3.96Å
289L36.9Very low36.7Very low91 Ų9173.4 Ų73.448%0.47642%0.424SS..EExtended strand (participates in β ladder)trans-92.4109176.5-169.777.2000108.7R126 I127 R128 G287R126-L289 HydrophobicContact CB-CD1 3.99Å; R126-L289 HydrophobicContact CG-CD1 4.28Å; I127-L289 WeakPolarHBondContact O-CA 3.45Å; R128-L289 HydrophobicContact CG-CD1 3.78Å; G287-L289 PolarHBondContact O-N 2.86Å; G287-L289 VanDerWaalsContact O-N 3.11Å
290I43.2Very low37.7Very low17 Ų1771.5 Ų71.59%0.08742%0.418CS..EExtended strand (participates in β ladder)trans-102.9112.4176-52.4176000107.7R126 I127 I129 L243 V288 I295 F303R126-I290 WeakPolarHBondContact CA-O 3.3Å; I127-I290 HydrophobicContact CB-CB 4.36Å; I127-I290 HydrophobicContact CG2-CD1 4.48Å; I127-I290 PolarHBondContact N-O 3.15Å; I127-I290 PolarHBondContact O-N 3.33Å; I129-I290 HydrophobicContact CD1-CD1 3.81Å; L243-I290 HydrophobicContact CD1-CD1 3.65Å; V288-I290 HydrophobicContact CG1-CG1 3.96Å; I290-I295 HydrophobicContact CG2-CD1 4.18Å; I290-F303 HydrophobicContact CD1-CZ 4.34Å; I290-F303 HydrophobicContact CG2-CE2 3.75Å; I290-F303 HydrophobicContact CG2-CZ 3.94Å
291D42.2Very low38.7Very low27 Ų2769.6 Ų69.614%0.14442%0.415CS..EExtended strand (participates in β ladder)trans-9489.1176.1-153.2-44.2000109.8G125 R126 E293 H294G125-D291 CarbonylContact O-C 3.41Å; G125-D291 WeakPolarHBondContact O-CA 3.42Å; R126-D291 HydrophobicContact CG-CB 4.4Å; R126-D291 WeakPolarHBondContact CG-OD2 3.4Å; R126-D291 IonicContact CZ-OD2 3.47Å; R126-D291 IonicContact NE-OD2 3.88Å; R126-D291 PolarHBondContact NE-OD2 3.21Å; R126-D291 IonicContact NH2-OD2 2.84Å; R126-D291 PolarHBondContact NH2-OD2 3.47Å; D291-E293 VanDerWaalsContact C-N 3.3Å; D291-E293 PolarHBondContact O-N 2.94Å; D291-H294 VanDerWaalsContact CG-CE1 3.46Å; D291-H294 PolarHBondContact O-N 3.3Å; D291-H294 IonicContact OD1-CE1 3.28Å; D291-H294 PolarHBondContact OD1-CE1 2.92Å; D291-H294 VanDerWaalsContact OD1-CE1 3.28Å; D291-H294 IonicContact OD1-CG 3.61Å; D291-H294 IonicContact OD1-ND1 2.74Å; D291-H294 PolarHBondContact OD1-ND1 3.25Å; D291-H294 IonicContact OD2-CE1 3.55Å; D291-H294 IonicContact OD2-ND1 3.69Å
292W49.6Very low39.8Very low21 Ų2167.4 Ų67.48%0.0840%0.401CS..G310 helixtrans-74.8-19-171.576.673.7000113.2I123 G125 R126 I127 L225 H294 I295 F303I123-W292 HydrophobicContact CG2-CH2 3.9Å; I123-W292 HydrophobicContact CG2-CZ2 3.82Å; G125-W292 VanDerWaalsContact O-CD2 3.29Å; G125-W292 WeakPolarHBondContact O-CZ3 3.2Å; G125-W292 PolarHBondContact O-N 3.29Å; R126-W292 VanDerWaalsContact N-CZ3 3.27Å; I127-W292 HydrophobicContact CB-CZ3 4.44Å; I127-W292 HydrophobicContact CD1-CE3 3.63Å; I127-W292 HydrophobicContact CD1-CZ3 3.81Å; I127-W292 HydrophobicContact CG1-CE3 3.94Å; I127-W292 HydrophobicContact CG1-CZ3 3.67Å; L225-W292 HydrophobicContact CD1-CH2 4.06Å; W292-H294 PolarHBondContact O-N 3.33Å; W292-I295 HydrophobicContact CB-CD1 4.32Å; W292-I295 PolarHBondContact O-N 2.91Å; W292-F303 HydrophobicContact CB-CD2 4.05Å; W292-F303 HydrophobicContact CB-CE2 4.21Å; W292-F303 HydrophobicContact CB-CG 4.41Å
293E39.8Very low41.2Very low106 Ų10662.5 Ų62.550%0.49538%0.375SS..G310 helixtrans-67.3-12.6171.4-76.7178.5139.700112.3G125 D291G125-E293 WeakPolarHBondContact CA-OE2 3.42Å; G125-E293 PolarHBondContact N-OE2 2.68Å; D291-E293 VanDerWaalsContact C-N 3.3Å; D291-E293 PolarHBondContact O-N 2.94Å
294H43Very low42.6Very low36 Ų3663 Ų6317%0.16737%0.371CS..G310 helixtrans-105.48.5176.9-59.365.2000113.1Y255 D291 W292Y255-H294 AromaticContact CD1-CD2 3.41Å; Y255-H294 VanDerWaalsContact CD1-CD2 3.41Å; Y255-H294 WeakPolarHBondContact CD1-CD2 3.28Å; Y255-H294 AromaticContact CD1-NE2 3.88Å; Y255-H294 HydrophobicContact CE1-CB 4.26Å; Y255-H294 AromaticContact CE1-CD2 3.14Å; Y255-H294 WeakPolarHBondContact CE1-CD2 3.26Å; Y255-H294 AromaticContact CE1-CE1 3.79Å; Y255-H294 AromaticContact CE1-CG 3.49Å; Y255-H294 VanDerWaalsContact CE1-CG 3.49Å; Y255-H294 AromaticContact CE1-ND1 3.86Å; Y255-H294 AromaticContact CE1-NE2 3.39Å; Y255-H294 WeakPolarHBondContact CE1-NE2 3.3Å; Y255-H294 AromaticContact CE2-NE2 3.71Å; Y255-H294 AromaticContact CZ-CD2 3.6Å; Y255-H294 AromaticContact CZ-CE1 3.52Å; Y255-H294 AromaticContact CZ-ND1 3.98Å; Y255-H294 AromaticContact CZ-NE2 3.27Å; Y255-H294 VanDerWaalsContact CZ-NE2 3.27Å; Y255-H294 PolarHBondContact OH-CE1 3.39Å; Y255-H294 VanDerWaalsContact OH-CE1 3.28Å; D291-H294 VanDerWaalsContact CG-CE1 3.46Å; D291-H294 PolarHBondContact O-N 3.3Å; D291-H294 IonicContact OD1-CE1 3.28Å; D291-H294 PolarHBondContact OD1-CE1 2.92Å; D291-H294 VanDerWaalsContact OD1-CE1 3.28Å; D291-H294 IonicContact OD1-CG 3.61Å; D291-H294 IonicContact OD1-ND1 2.74Å; D291-H294 PolarHBondContact OD1-ND1 3.25Å; D291-H294 IonicContact OD2-CE1 3.55Å; D291-H294 IonicContact OD2-ND1 3.69Å; W292-H294 PolarHBondContact O-N 3.33Å
295I43.7Very low43.9Very low11 Ų1165 Ų656%0.05637%0.37CS..  trans-98.397.6176.3-54.8176.1000109F247 C250 L252 I290 W292 G297 I298 F303F247-I295 HydrophobicContact CD1-CD1 4.42Å; F247-I295 HydrophobicContact CE1-CD1 4.11Å; F247-I295 HydrophobicContact CZ-CD1 4.26Å; C250-I295 HydrophobicContact CB-CG2 3.82Å; L252-I295 HydrophobicContact CD2-CG1 3.92Å; I290-I295 HydrophobicContact CG2-CD1 4.18Å; W292-I295 HydrophobicContact CB-CD1 4.32Å; W292-I295 PolarHBondContact O-N 2.91Å; I295-G297 PolarHBondContact O-N 2.93Å; I295-I298 HydrophobicContact CB-CG2 3.8Å; I295-I298 HydrophobicContact CG2-CB 4.42Å; I295-I298 HydrophobicContact CG2-CG2 3.49Å; I295-I298 VanDerWaalsContact CG2-CG2 3.49Å; I295-F303 HydrophobicContact CD1-CD2 4.24Å; I295-F303 HydrophobicContact CD1-CE2 4.16Å
296D45Very low45.1Very low109 Ų10962.6 Ų62.658%0.58335%0.353SS*.THydrogen-bonded Turntrans-60.9131.4174.5-72.4-45.8000111.1T253T253-D296 PolarHBondContact OG1-OD2 3.33Å
297G43.5Very low46.2Very low86 Ų8657.6 Ų57.689%0.88733%0.326SS*.THydrogen-bonded Turntrans91.36.2170.800000116.6I295I295-G297 PolarHBondContact O-N 2.93Å
298I47.6Very low47.1Very low31 Ų3161.1 Ų61.116%0.15934%0.337CS..  trans-124.1134.2173.6-160.1170.4000111.8F247 I295 E302 F303 L306F247-I298 HydrophobicContact CE1-CD1 4.22Å; I295-I298 HydrophobicContact CB-CG2 3.8Å; I295-I298 HydrophobicContact CG2-CB 4.42Å; I295-I298 HydrophobicContact CG2-CG2 3.49Å; I295-I298 VanDerWaalsContact CG2-CG2 3.49Å; I298-E302 HydrophobicContact CD1-CB 4.3Å; I298-E302 HydrophobicContact CG1-CB 3.65Å; I298-F303 HydrophobicContact CD1-CB 3.97Å; I298-F303 HydrophobicContact CG1-CB 4.3Å; I298-L306 HydrophobicContact CD1-CD1 3.63Å
299T52.3Low47.7Very low76 Ų7662.2 Ų62.247%0.46634%0.344SS..  trans-81.8158.117064.50000111.5S301 E302 F303T299-S301 PolarHBondContact O-N 3Å; T299-E302 VanDerWaalsContact CB-OE2 3.28Å; T299-E302 WeakPolarHBondContact CB-OE2 3.28Å; T299-E302 VanDerWaalsContact CG2-OE2 3.31Å; T299-E302 WeakPolarHBondContact CG2-OE2 3.47Å; T299-E302 PolarHBondContact N-OE2 2.84Å; T299-E302 PolarHBondContact O-N 3.05Å; T299-E302 VanDerWaalsContact OG1-CG 3.28Å; T299-E302 WeakPolarHBondContact OG1-CG 3.39Å; T299-E302 PolarHBondContact OG1-N 2.98Å; T299-E302 PolarHBondContact OG1-OE2 3.11Å; T299-F303 PolarHBondContact O-N 3.22Å
300V48Very low48.3Very low70 Ų7059.4 Ų59.442%0.42433%0.331SS..Hα-helixtrans-54-39.2176.7-178.60000112W304V300-W304 PolarHBondContact O-N 3.37Å
301S48.6Very low48.5Very low96 Ų9659.8 Ų59.867%0.67133%0.333SS*.Hα-helixtrans-69.6-38.4177.6-56.50000112.9T299 K305T299-S301 PolarHBondContact O-N 3Å; S301-K305 VanDerWaalsContact O-CB 3.28Å; S301-K305 WeakPolarHBondContact O-CB 3.49Å; S301-K305 PolarHBondContact O-N 2.6Å
302E51.6Low48.5Very low101 Ų10161.8 Ų61.847%0.47234%0.343SS..Hα-helixtrans-69-40.4175-72.6160.6146.800111.3I298 T299 W304 K305 L306I298-E302 HydrophobicContact CD1-CB 4.3Å; I298-E302 HydrophobicContact CG1-CB 3.65Å; T299-E302 VanDerWaalsContact CB-OE2 3.28Å; T299-E302 WeakPolarHBondContact CB-OE2 3.28Å; T299-E302 VanDerWaalsContact CG2-OE2 3.31Å; T299-E302 WeakPolarHBondContact CG2-OE2 3.47Å; T299-E302 PolarHBondContact N-OE2 2.84Å; T299-E302 PolarHBondContact O-N 3.05Å; T299-E302 VanDerWaalsContact OG1-CG 3.28Å; T299-E302 WeakPolarHBondContact OG1-CG 3.39Å; T299-E302 PolarHBondContact OG1-N 2.98Å; T299-E302 PolarHBondContact OG1-OE2 3.11Å; E302-W304 PolarHBondContact O-N 3.22Å; E302-K305 PolarHBondContact O-N 2.85Å; E302-L306 WeakPolarHBondContact O-CG 3.33Å; E302-L306 PolarHBondContact O-N 3.11Å
303F54.9Low48.1Very low1 Ų163.8 Ų63.80%0.00436%0.356CS..Hα-helixtrans-55.8-52.7173.4176.9-79.8000110.8I127 F247 I290 W292 I295 I298 T299 K305 L306 F307I127-F303 HydrophobicContact CD1-CD1 4.15Å; I127-F303 HydrophobicContact CD1-CE1 3.22Å; I127-F303 HydrophobicContact CD1-CZ 3.65Å; F247-F303 HydrophobicContact CE1-CD2 4.17Å; F247-F303 HydrophobicContact CE1-CE2 4.26Å; F247-F303 HydrophobicContact CE2-CE2 4.24Å; F247-F303 AromaticContact CZ-CD2 3.81Å; F247-F303 HydrophobicContact CZ-CD2 3.81Å; F247-F303 AromaticContact CZ-CE2 3.48Å; F247-F303 HydrophobicContact CZ-CE2 3.48Å; F247-F303 VanDerWaalsContact CZ-CE2 3.48Å; F247-F303 HydrophobicContact CZ-CZ 4.44Å; I290-F303 HydrophobicContact CD1-CZ 4.34Å; I290-F303 HydrophobicContact CG2-CE2 3.75Å; I290-F303 HydrophobicContact CG2-CZ 3.94Å; W292-F303 HydrophobicContact CB-CD2 4.05Å; W292-F303 HydrophobicContact CB-CE2 4.21Å; W292-F303 HydrophobicContact CB-CG 4.41Å; I295-F303 HydrophobicContact CD1-CD2 4.24Å; I295-F303 HydrophobicContact CD1-CE2 4.16Å; I298-F303 HydrophobicContact CD1-CB 3.97Å; I298-F303 HydrophobicContact CG1-CB 4.3Å; T299-F303 PolarHBondContact O-N 3.22Å; F303-K305 VanDerWaalsContact C-N 3.33Å; F303-K305 PolarHBondContact O-N 2.94Å; F303-L306 PolarHBondContact O-N 2.96Å; F303-F307 HydrophobicContact CE1-CB 4.29Å; F303-F307 WeakPolarHBondContact O-CB 3.46Å; F303-F307 PolarHBondContact O-N 2.6Å
304W54.7Low47.9Very low48 Ų4862.6 Ų62.618%0.18235%0.353CS..Hα-helixtrans-64.4-37.8-179.7-77122.9000112.5L99 I127 A226 F228 V300 E302 F307 E308L99-W304 HydrophobicContact CD1-CH2 3.66Å; L99-W304 HydrophobicContact CD1-CZ3 4.12Å; L99-W304 HydrophobicContact CD2-CH2 4.06Å; I127-W304 HydrophobicContact CD1-CH2 3.48Å; I127-W304 VanDerWaalsContact CD1-CH2 3.48Å; I127-W304 HydrophobicContact CD1-CZ2 3.8Å; I127-W304 HydrophobicContact CD1-CZ3 3.89Å; I127-W304 HydrophobicContact CG1-CH2 3.75Å; I127-W304 HydrophobicContact CG1-CZ2 4.19Å; I127-W304 HydrophobicContact CG1-CZ3 4.47Å; A226-W304 HydrophobicContact CB-CH2 4.4Å; A226-W304 HydrophobicContact CB-CZ2 4.45Å; F228-W304 AromaticContact CE2-CE3 3.82Å; F228-W304 HydrophobicContact CE2-CE3 3.82Å; F228-W304 HydrophobicContact CE2-CH2 4.29Å; F228-W304 AromaticContact CE2-CZ3 3.49Å; F228-W304 HydrophobicContact CE2-CZ3 3.49Å; F228-W304 VanDerWaalsContact CE2-CZ3 3.49Å; F228-W304 HydrophobicContact CZ-CD2 4.34Å; F228-W304 AromaticContact CZ-CE3 3.45Å; F228-W304 HydrophobicContact CZ-CE3 3.45Å; F228-W304 VanDerWaalsContact CZ-CE3 3.45Å; F228-W304 AromaticContact CZ-CZ3 3.67Å; F228-W304 HydrophobicContact CZ-CZ3 3.67Å; V300-W304 PolarHBondContact O-N 3.37Å; E302-W304 PolarHBondContact O-N 3.22Å; W304-F307 HydrophobicContact CE3-CB 4.43Å; W304-F307 AromaticContact CE3-CD1 3.87Å; W304-F307 HydrophobicContact CE3-CD1 3.87Å; W304-F307 HydrophobicContact CE3-CG 4.42Å; W304-F307 AromaticContact CZ3-CD1 3.79Å; W304-F307 HydrophobicContact CZ3-CD1 3.79Å; W304-F307 HydrophobicContact CZ3-CE1 4.05Å; W304-F307 PolarHBondContact O-N 3Å; W304-E308 VanDerWaalsContact O-CB 3.3Å; W304-E308 WeakPolarHBondContact O-CB 3.48Å; W304-E308 PolarHBondContact O-N 3.09Å
305K54.4Low47.4Very low139 Ų13966.1 Ų66.160%0.60438%0.377SS*.Hα-helixtrans-65.6-40.5175.8-174.7177.6-179.6179.20112.5S301 E302 F303 T309S301-K305 VanDerWaalsContact O-CB 3.28Å; S301-K305 WeakPolarHBondContact O-CB 3.49Å; S301-K305 PolarHBondContact O-N 2.6Å; E302-K305 PolarHBondContact O-N 2.85Å; F303-K305 VanDerWaalsContact C-N 3.33Å; F303-K305 PolarHBondContact O-N 2.94Å; K305-T309 VanDerWaalsContact O-CB 3.31Å; K305-T309 WeakPolarHBondContact O-CB 3.43Å; K305-T309 PolarHBondContact O-N 3.19Å; K305-T309 PolarHBondContact O-OG1 2.86Å
306L52.2Low46.8Very low69 Ų6969.3 Ų69.336%0.36139%0.394SS..Hα-helixtrans-65.1-45.6172.8-73.1-175000110.9V246 I298 E302 F303 E308 T309 V310V246-L306 HydrophobicContact CG1-CD1 4.37Å; I298-L306 HydrophobicContact CD1-CD1 3.63Å; E302-L306 WeakPolarHBondContact O-CG 3.33Å; E302-L306 PolarHBondContact O-N 3.11Å; F303-L306 PolarHBondContact O-N 2.96Å; L306-E308 PolarHBondContact O-N 3.07Å; L306-T309 PolarHBondContact O-N 3.1Å; L306-V310 WeakPolarHBondContact O-CB 3.35Å; L306-V310 WeakPolarHBondContact O-CG2 3.2Å; L306-V310 PolarHBondContact O-N 3.28Å
307F54.5Low46Very low6 Ų666.7 Ų66.73%0.02638%0.38CS..Hα-helixtrans-59.4-46.7178.4-173.4-106.8000111.8L97 I129 F228 L243 F303 W304 V310 L311L97-F307 HydrophobicContact CD2-CE1 3.82Å; L97-F307 HydrophobicContact CD2-CZ 3.92Å; I129-F307 HydrophobicContact CD1-CE2 3.61Å; I129-F307 HydrophobicContact CD1-CZ 3.96Å; I129-F307 HydrophobicContact CG1-CZ 4.45Å; F228-F307 HydrophobicContact CD2-CE1 4.47Å; F228-F307 HydrophobicContact CE2-CD1 4.17Å; F228-F307 HydrophobicContact CE2-CE1 4.12Å; F228-F307 HydrophobicContact CZ-CD1 4.04Å; F228-F307 HydrophobicContact CZ-CE1 4.44Å; L243-F307 HydrophobicContact CD1-CD2 4.18Å; L243-F307 HydrophobicContact CD1-CE2 3.99Å; L243-F307 HydrophobicContact CD2-CD2 4.28Å; F303-F307 HydrophobicContact CE1-CB 4.29Å; F303-F307 WeakPolarHBondContact O-CB 3.46Å; F303-F307 PolarHBondContact O-N 2.6Å; W304-F307 HydrophobicContact CE3-CB 4.43Å; W304-F307 AromaticContact CE3-CD1 3.87Å; W304-F307 HydrophobicContact CE3-CD1 3.87Å; W304-F307 HydrophobicContact CE3-CG 4.42Å; W304-F307 AromaticContact CZ3-CD1 3.79Å; W304-F307 HydrophobicContact CZ3-CD1 3.79Å; W304-F307 HydrophobicContact CZ3-CE1 4.05Å; W304-F307 PolarHBondContact O-N 3Å; F307-V310 PolarHBondContact O-N 3.07Å; F307-L311 HydrophobicContact CD1-CD1 3.75Å; F307-L311 HydrophobicContact CD1-CG 4.43Å; F307-L311 HydrophobicContact CE1-CD1 3.4Å; F307-L311 VanDerWaalsContact CE1-CD1 3.4Å; F307-L311 HydrophobicContact CE1-CG 4.22Å; F307-L311 HydrophobicContact CZ-CD1 3.92Å; F307-L311 HydrophobicContact CZ-CG 4.36Å; F307-L311 WeakPolarHBondContact O-CB 3.33Å; F307-L311 WeakPolarHBondContact O-CG 3.41Å; F307-L311 PolarHBondContact O-N 3.41Å
308E49.2Very low45.3Very low92 Ų9268.8 Ų68.843%0.4337%0.37SS..Hα-helixtrans-60.8-45.3173.4-176.2174.8-155.900112F228 W304 L306 V310 L311 L312F228-E308 HydrophobicContact CE1-CB 4.06Å; F228-E308 HydrophobicContact CE1-CG 4.37Å; W304-E308 VanDerWaalsContact O-CB 3.3Å; W304-E308 WeakPolarHBondContact O-CB 3.48Å; W304-E308 PolarHBondContact O-N 3.09Å; L306-E308 PolarHBondContact O-N 3.07Å; E308-V310 VanDerWaalsContact C-N 3.31Å; E308-V310 PolarHBondContact O-N 3.38Å; E308-L311 PolarHBondContact O-N 2.96Å; E308-L312 HydrophobicContact CG-CD1 3.72Å; E308-L312 HydrophobicContact CG-CG 4.36Å; E308-L312 WeakPolarHBondContact O-CB 3.31Å; E308-L312 WeakPolarHBondContact O-CG 3.33Å; E308-L312 PolarHBondContact O-N 2.85Å
309T47.7Very low44.3Very low74 Ų7474 Ų7445%0.45440%0.398SS..Hα-helixtrans-60-41.6177-58.20000111.4K305 L306 N313K305-T309 VanDerWaalsContact O-CB 3.31Å; K305-T309 WeakPolarHBondContact O-CB 3.43Å; K305-T309 PolarHBondContact O-N 3.19Å; K305-T309 PolarHBondContact O-OG1 2.86Å; L306-T309 PolarHBondContact O-N 3.1Å; T309-N313 WeakPolarHBondContact O-CB 3.43Å; T309-N313 PolarHBondContact O-N 3.31Å
310V48.3Very low43.2Very low32 Ų3275.6 Ų75.619%0.19440%0.403CS..Hα-helixtrans-71.2-36.4178.8172.50000111.5L243 V246 L306 F307 E308 L316L243-V310 HydrophobicContact CD2-CG1 4.34Å; V246-V310 HydrophobicContact CB-CG2 4.5Å; V246-V310 HydrophobicContact CG1-CG2 4.06Å; V246-V310 HydrophobicContact CG2-CG1 4.41Å; V246-V310 HydrophobicContact CG2-CG2 3.64Å; L306-V310 WeakPolarHBondContact O-CB 3.35Å; L306-V310 WeakPolarHBondContact O-CG2 3.2Å; L306-V310 PolarHBondContact O-N 3.28Å; F307-V310 PolarHBondContact O-N 3.07Å; E308-V310 VanDerWaalsContact C-N 3.31Å; E308-V310 PolarHBondContact O-N 3.38Å; V310-L316 HydrophobicContact CG1-CD1 4.36Å
311L47.2Very low42.2Very low25 Ų2576.4 Ų76.413%0.13141%0.405CS..Hα-helixtrans-68.9-35.8175.1-78.2178.7000113.5F228 F236 L240 F307 E308F228-L311 HydrophobicContact CD1-CD1 4.47Å; F228-L311 HydrophobicContact CG-CD1 4.39Å; F236-L311 HydrophobicContact CD1-CD2 4.38Å; F236-L311 HydrophobicContact CE1-CD2 3.93Å; L240-L311 HydrophobicContact CD2-CD2 4.06Å; F307-L311 HydrophobicContact CD1-CD1 3.75Å; F307-L311 HydrophobicContact CD1-CG 4.43Å; F307-L311 HydrophobicContact CE1-CD1 3.4Å; F307-L311 VanDerWaalsContact CE1-CD1 3.4Å; F307-L311 HydrophobicContact CE1-CG 4.22Å; F307-L311 HydrophobicContact CZ-CD1 3.92Å; F307-L311 HydrophobicContact CZ-CG 4.36Å; F307-L311 WeakPolarHBondContact O-CB 3.33Å; F307-L311 WeakPolarHBondContact O-CG 3.41Å; F307-L311 PolarHBondContact O-N 3.41Å; E308-L311 PolarHBondContact O-N 2.96Å
312L42.1Very low41.2Very low68 Ų6876 Ų7636%0.35640%0.399SS..Hα-helixtrans-88.2-16.1-178-66.5174.8000113.4L230 P231 I234 E308 D314L230-L312 HydrophobicContact CD2-CD2 3.93Å; P231-L312 HydrophobicContact CG-CD2 4.39Å; I234-L312 HydrophobicContact CD1-CD2 3.9Å; E308-L312 HydrophobicContact CG-CD1 3.72Å; E308-L312 HydrophobicContact CG-CG 4.36Å; E308-L312 WeakPolarHBondContact O-CB 3.31Å; E308-L312 WeakPolarHBondContact O-CG 3.33Å; E308-L312 PolarHBondContact O-N 2.85Å; L312-D314 PolarHBondContact O-N 3.07Å
313N41.2Very low40Very low64 Ų6477.4 Ų77.434%0.34241%0.409SS..  trans-92.683.6-174.7-169.39.2000113.2T309 T315 L316T309-N313 WeakPolarHBondContact O-CB 3.43Å; T309-N313 PolarHBondContact O-N 3.31Å; N313-T315 PolarHBondContact O-N 3.45Å; N313-T315 WeakPolarHBondContact OD1-CB 3.49Å; N313-T315 PolarHBondContact OD1-N 3.25Å; N313-T315 PolarHBondContact OD1-OG1 3Å; N313-L316 PolarHBondContact O-N 3.27Å
314D36.6Very low38.8Very low81 Ų8181 Ų8143%0.43343%0.434SS..THydrogen-bonded Turntrans-55.6-12.3170.2-79.9-30.7000114.1L312 N317L312-D314 PolarHBondContact O-N 3.07Å; D314-N317 PolarHBondContact O-ND2 3.28Å
315T31.8Very low37.5Very low110 Ų11083.3 Ų83.368%0.67545%0.45SS*.THydrogen-bonded Turntrans-92.13.5-17477.10000115.5N313 N317N313-T315 PolarHBondContact O-N 3.45Å; N313-T315 WeakPolarHBondContact OD1-CB 3.49Å; N313-T315 PolarHBondContact OD1-N 3.25Å; N313-T315 PolarHBondContact OD1-OG1 3Å; T315-N317 PolarHBondContact O-N 3.36Å
316L31.3Very low36.2Very low78 Ų7884.4 Ų84.441%0.40846%0.455SS..THydrogen-bonded Turntrans-66.416.2169.2-88.1167000114.2V310 N313 L320V310-L316 HydrophobicContact CG1-CD1 4.36Å; N313-L316 PolarHBondContact O-N 3.27Å; L316-L320 HydrophobicContact CD2-CD1 4.04Å
317N29.3Very low35Very low54 Ų5488.6 Ų88.629%0.28948%0.477SS..THydrogen-bonded Turntrans-94.9-28.8-165.6-83.6-29.7000116.2R239 D314 T315R239-N317 PolarHBondContact NH1-OD1 3.28Å; D314-N317 PolarHBondContact O-ND2 3.28Å; T315-N317 PolarHBondContact O-N 3.36Å
318D28.2Very low33.6Very low129 Ų12994.5 Ų94.569%0.6951%0.508SS*.SBendtrans-108.5-33.6-163.6-69.8-33000116.2
319N26.3Very low32.4Very low141 Ų14197.1 Ų97.175%0.75453%0.525SS*.SBendtrans-90.6-18.6-170.6-73.9-29.4000115.5
320L28.8Very low31.3Very low109 Ų10999.4 Ų99.457%0.57154%0.539SS*.SBendtrans-92.8-19.1-173.3-67.8172.2000114.1L316L316-L320 HydrophobicContact CD2-CD1 4.04Å
321L27.9Very low30.1Very low88 Ų88102.4 Ų102.446%0.46156%0.561SS.*Hα-helixtrans-74.9-27.3175-79.4166000113.1N323 L325L321-N323 VanDerWaalsContact C-N 3.25Å; L321-N323 PolarHBondContact O-N 2.83Å; L321-L325 HydrophobicContact CB-CD1 3.98Å; L321-L325 HydrophobicContact CD2-CD1 4.11Å; L321-L325 HydrophobicContact CD2-CG 4.38Å; L321-L325 VanDerWaalsContact O-CB 3.28Å; L321-L325 WeakPolarHBondContact O-CB 3.34Å; L321-L325 VanDerWaalsContact O-CG 3.29Å; L321-L325 WeakPolarHBondContact O-CG 3.47Å; L321-L325 PolarHBondContact O-N 2.83Å; L321-L325 VanDerWaalsContact O-N 3.13Å
322V26.8Very low29Very low88 Ų88107.2 Ų107.253%0.53360%0.597SS.*Hα-helixtrans-68.8-22.6-175.2-178.70000113.1
323N27Very low28.2Very low130 Ų130115.5 Ų115.570%0.69563%0.625SS**Hα-helixtrans-96-23.4-178.2-73.9-20.7000114.3L321L321-N323 VanDerWaalsContact C-N 3.25Å; L321-N323 PolarHBondContact O-N 2.83Å
324S28.4Very low27.4Very low75 Ų75115.4 Ų115.452%0.52464%0.639SS.*Hα-helixtrans-93.7-27.2174.960.50000113.6K326S324-K326 VanDerWaalsContact C-N 3.32Å; S324-K326 PolarHBondContact O-N 3.32Å
325L28.2Very low26.8Very low98 Ų98121.3 Ų121.351%0.51366%0.661SS.*G310 helixtrans-77.2-6.6-177.9-72.7174.2000115.4L321 N327 I328L321-L325 HydrophobicContact CB-CD1 3.98Å; L321-L325 HydrophobicContact CD2-CD1 4.11Å; L321-L325 HydrophobicContact CD2-CG 4.38Å; L321-L325 VanDerWaalsContact O-CB 3.28Å; L321-L325 WeakPolarHBondContact O-CB 3.34Å; L321-L325 VanDerWaalsContact O-CG 3.29Å; L321-L325 WeakPolarHBondContact O-CG 3.47Å; L321-L325 PolarHBondContact O-N 2.83Å; L321-L325 VanDerWaalsContact O-N 3.13Å; L325-N327 PolarHBondContact O-N 2.89Å; L325-N327 VanDerWaalsContact O-N 3.1Å; L325-I328 PolarHBondContact O-N 2.77Å
326K26.8Very low26.5Very low162 Ų162121.6 Ų121.670%0.70467%0.668SS**G310 helixtrans-66.4-10.2-179.6-84.8-178.9177.9171.40115.1S324S324-K326 VanDerWaalsContact C-N 3.32Å; S324-K326 PolarHBondContact O-N 3.32Å
327N27.1Very low26.1Very low156 Ų156128 Ų12883%0.83469%0.686SS**G310 helixtrans-120.711.5-177.6-70.7-13.7000114.3L325L325-N327 PolarHBondContact O-N 2.89Å; L325-N327 VanDerWaalsContact O-N 3.1Å
328I26.3Very low25.8Very low131 Ų131133.6 Ų133.667%0.67271%0.711SS**  trans-117.294177.8-55.8-177.8000109.7L325 T330L325-I328 PolarHBondContact O-N 2.77Å; I328-T330 PolarHBondContact O-N 2.96Å
329D24Very low25.6Very low146 Ų146132.2 Ų132.278%0.78171%0.712SS**  trans-64126.9173.3-109.9-34.8000111.5
330T23.7Very low25.4Very low123 Ų123131.8 Ų131.876%0.75571%0.709SS**  trans33.6100.4149630000119.8I328I328-T330 PolarHBondContact O-N 2.96Å
331S23.5Very low25.3Very low94 Ų94136.4 Ų136.466%0.65772%0.72SS**  trans-160.9103.7135.458.50000115.2Y333S331-Y333 PolarHBondContact O-N 3.45Å
332S24.7Very low25Very low126 Ų126141.9 Ų141.988%0.88174%0.736SS**  trans57.99.8131.1-520000122.9G334S332-G334 PolarHBondContact O-N 2.86Å
333Y24.9Very low25.1Very low242 Ų242146.5 Ų146.595%0.94975%0.752SS**  trans-84.452.5167.5-84.4-84.3000113.3S331S331-Y333 PolarHBondContact O-N 3.45Å
334G23.2Very low25.1Very low63 Ų63147.5 Ų147.565%0.64976%0.757SS**  trans-119.281.8173.800000111.4S332S332-G334 PolarHBondContact O-N 2.86Å
335K24.6Very low25.1Very low204 Ų204151.4 Ų151.489%0.88777%0.772SS**  trans-163.9133.2157.2-108.6155.4-168.1-176.50112
336S24.8Very low25Very low116 Ų116150.6 Ų150.681%0.81179%0.787SS**PPolyproline II helixtrans-56.3140.9176.9-175.40000111.6E338S336-E338 PolarHBondContact O-N 2.79Å
337W24.4Very low25.2Very low212 Ų212152.5 Ų152.580%0.80380%0.796SS**PPolyproline II helixtrans-68.4121.5170.8-74.295.5000110.3P137P137-W337 HydrophobicContact CG-CE3 4.06Å; P137-W337 HydrophobicContact CG-CH2 3.77Å; P137-W337 HydrophobicContact CG-CZ3 3.28Å
338E22.4Very low25.2Very low173 Ų173154.6 Ų154.681%0.80880%0.797SS**PPolyproline II helixtrans-102.1118.7179-163.8170.2-143.900107.9S336 L340S336-E338 PolarHBondContact O-N 2.79Å; E338-L340 PolarHBondContact O-N 2.93Å
339S24.9Very low25.2Very low100 Ų100153.9 Ų153.970%0.69980%0.804SS**  trans-86.890.2-173.1500000112.4
340L22.4Very low25.4Very low132 Ų132152.7 Ų152.769%0.69181%0.807SS**  trans-76.6118.5168.3-76.1157.3000110.5E338 Y342E338-L340 PolarHBondContact O-N 2.93Å; L340-Y342 HydrophobicContact CB-CE2 4.24Å
341Y24.9Very low25.4Very low206 Ų206153 Ų15381%0.80881%0.809SS**  trans-99130.6168.9-77-92.6000110.2
342Y22.8Very low25.4Very low203 Ų203159.2 Ų159.280%0.79682%0.818SS**  trans-118.4119.6164.6-68.6-90.4000107.4L340L340-Y342 HydrophobicContact CB-CE2 4.24Å
343E27.5Very low25.4Very low185 Ų185157.3 Ų157.386%0.86480%0.804SS**  trans-93.2137.7157.3-72-176144.200107.6
344D27.3Very low25.5Very low150 Ų150155 Ų15580%0.80280%0.795SS**THydrogen-bonded Turntrans-55.4168.6159.7-74.8-53.7000109.8
345D28Very low25.6Very low157 Ų157158 Ų15884%0.8480%0.803SS**THydrogen-bonded Turntrans86.41.5174-48.1-12.6000118.4K347D345-K347 VanDerWaalsContact C-N 3.3Å; D345-K347 PolarHBondContact O-N 2.86Å
346G27.9Very low25.6Very low81 Ų81153.2 Ų153.284%0.83579%0.791SS**  trans57.616.3147.800000120.2
347K29.4Very low25.6Very low203 Ų203155 Ų15588%0.88379%0.792SS**  trans-134.6140.8178.5-73.5-175.5179.5173.50113.1D345D345-K347 VanDerWaalsContact C-N 3.3Å; D345-K347 PolarHBondContact O-N 2.86Å
348K27.3Very low25.7Very low200 Ų200154.4 Ų154.487%0.8779%0.794SS**  trans-84.8148.7-163.6-66.3179.5175.7179.70114.9
349S26.7Very low25.8Very low115 Ų115155.7 Ų155.780%0.80480%0.8SS**  trans63125.814364.50000120.4
350S27.8Very low25.8Very low121 Ų121157.5 Ų157.585%0.84681%0.807SS**  -179.5138.498-1710000112.4
351T23.5Very low25.9Very low131 Ų131159.2 Ų159.280%0.80481%0.809SS**  trans-89146.5-172.9-29.40000112.9
352R24.8Very low25.9Very low224 Ų224156.3 Ų156.385%0.84580%0.802SS**  trans-146.2140.7156-110.7-176-172.5-161.52.3112.1
353S24.4Very low26Very low85 Ų85153.1 Ų153.159%0.59480%0.799SS**  trans-126.3158.9-174.350.20000111.7
354Y25.8Very low25.8Very low195 Ų195150.1 Ų150.177%0.76578%0.78SS**  trans-138156.8170.7-76.7-78.2000110.3
355P25.9Very low25.8Very low124 Ų124154 Ų15481%0.80579%0.785SS**  trans-87.6159.4-154.8-8.126.5000115.7
356V25.8Very low25.6Very low104 Ų104152.9 Ų152.963%0.6377%0.773SS**  trans-83122.1171.5176.90000109.3T87T87-V356 HydrophobicContact CG2-CG2 3.51Å
357D23.1Very low25.4Very low155 Ų155157.7 Ų157.783%0.82977%0.773SS**  trans-174.288.5158.6-91.1-31.5000110.8
358K26.5Very low25.1Very low199 Ų199153.9 Ų153.987%0.86576%0.757SS**  trans174116.1152.4-101.4159-174.2175.60112.4
359E24.6Very low24.9Very low199 Ų199151.4 Ų151.493%0.9375%0.749SS**  trans-73.2126.9161.6-61.4174.6128.400109.6
360V25.7Very low24.8Very low138 Ų138151.4 Ų151.484%0.83674%0.744SS**  trans-138.1117.1162.1-172.40000110.9
361K24.3Very low24.7Very low169 Ų169154 Ų15474%0.73574%0.736SS**  trans-77.7160.7-174.2-165.5177.1175.11790112.9
362H24.7Very low24.7Very low145 Ų145153.9 Ų153.967%0.67174%0.74SS**  trans96.1100.1162.8-42.8102.6000120.2
363D25.9Very low24.8Very low136 Ų136148.4 Ų148.473%0.72773%0.727SS**  60.8152.7126-56.6-45000125
364R23.3Very low25Very low121 Ų121151.9 Ų151.946%0.45774%0.74SS.*  trans-116.7153.9-154.7-61.5167.7-85.6-164.4-11.6112.8
365Y25.6Very low24.9Very low231 Ų231146 Ų14691%0.90674%0.738SS**  trans-147.3147.9158.6-66.4-77.7000111.7
366F25.2Very low24.8Very low135 Ų135145 Ų14559%0.59274%0.74SS**  trans-122.3149.5176.2-78.3-87.6000111.6Q96Q96-F366 VanDerWaalsContact NE2-CE2 3.34Å
367Q23.5Very low24.8Very low181 Ų181145.3 Ų145.385%0.84675%0.747SS**  trans-123.8130.5179.8-172.6177.16.100111.4
368K23.9Very low24.9Very low123 Ų123150 Ų15054%0.53575%0.753SS.*  trans-80.3131.1-178.5-175.3174.2178.11760111.1V222V222-K368 PolarHBondContact O-NZ 3.48Å
369Q22.8Very low24.9Very low149 Ų149147 Ų14770%0.69674%0.74SS**  trans-129126.2161-77.3-170.5-3.100109.3
370T23.9Very low24.8Very low115 Ų115148.8 Ų148.871%0.70674%0.738SS**  trans-108.1137.8-178.58.60000110.4
371Y24.7Very low24.8Very low176 Ų176148 Ų14869%0.6973%0.728SS**  trans-126.7125.1171.5-69.9-83.3000109.9
372S24Very low24.8Very low127 Ų127147.4 Ų147.489%0.88873%0.732SS**  trans-64.9166.1178.7-162.90000112.6
373L27.2Very low24.8Very low109 Ų109148.5 Ų148.557%0.57174%0.735SS**  trans-136.8115.6-169.5-109.7169000111.6K379L373-K379 HydrophobicContact CD1-CD 3.94Å; L373-K379 VanDerWaalsContact CD1-NZ 3.32Å; L373-K379 HydrophobicContact CG-CD 4.48Å; L373-K379 VanDerWaalsContact CG-NZ 3.28Å
374D27.8Very low24.8Very low159 Ų159149.7 Ų149.785%0.8573%0.734SS**  trans-80.6150.6152.4-85.1-39.2000110.1
375G24.6Very low24.8Very low72 Ų72149.5 Ų149.574%0.74274%0.738SS**SBendtrans-69.7170.2-163.200000116.9
376A24.2Very low24.9Very low101 Ų101146.6 Ų146.684%0.83573%0.731SS**SBendtrans66.557.4167.800000117.7
377S25.5Very low24.9Very low111 Ų111146.7 Ų146.778%0.77674%0.737SS**  trans-162.4137.8147.7-900000114.7K379S377-K379 PolarHBondContact O-N 2.89Å
378R24.8Very low25Very low255 Ų255144 Ų14496%0.96274%0.738SS**PPolyproline II helixtrans-55117.7178.9-61.7167.2178.6170.2-3.2111.7
379K25.8Very low25.1Very low134 Ų134142.3 Ų142.358%0.58375%0.747SS**PPolyproline II helixtrans-86124.1176.5-84.6-168.6169.9174.10112.5L373 S377L373-K379 HydrophobicContact CD1-CD 3.94Å; L373-K379 VanDerWaalsContact CD1-NZ 3.32Å; L373-K379 HydrophobicContact CG-CD 4.48Å; L373-K379 VanDerWaalsContact CG-NZ 3.28Å; S377-K379 PolarHBondContact O-N 2.89Å
380R24.4Very low25.2Very low238 Ų238144.3 Ų144.390%0.89876%0.757SS**PPolyproline II helixtrans-83.7135.9158.4-68.3-179.2-176.6172.41.8108.8
381I25.3Very low25.4Very low120 Ų120145.7 Ų145.762%0.61577%0.765SS**PPolyproline II helixtrans-96.8121.1165.9-53.8177.6000107.7F383I381-F383 HydrophobicContact CB-CE2 4.46Å; I381-F383 HydrophobicContact CG2-CD2 4.04Å; I381-F383 HydrophobicContact CG2-CE1 4.15Å; I381-F383 HydrophobicContact CG2-CE2 3.37Å; I381-F383 HydrophobicContact CG2-CZ 3.44Å; I381-F383 VanDerWaalsContact CG2-CZ 3.44Å
382L23Very low25.5Very low157 Ų157147.2 Ų147.282%0.82278%0.775SS**  trans-119119.8-179.5-163.795.8000108.9
383F26.2Very low25.9Very low168 Ų168147 Ų14774%0.73777%0.774SS**  trans-104.5131.9177.5-65.3-75.9000110.7I381I381-F383 HydrophobicContact CB-CE2 4.46Å; I381-F383 HydrophobicContact CG2-CD2 4.04Å; I381-F383 HydrophobicContact CG2-CE1 4.15Å; I381-F383 HydrophobicContact CG2-CE2 3.37Å; I381-F383 HydrophobicContact CG2-CZ 3.44Å; I381-F383 VanDerWaalsContact CG2-CZ 3.44Å
384K24.4Very low26.4Very low161 Ų161149 Ų14970%0.778%0.778SS**  trans-129.9116.2178.6-169.7174.7-176.9177.10109.7F386K384-F386 HydrophobicContact CD-CE2 4.23Å; K384-F386 HydrophobicContact CD-CZ 4.15Å; K384-F386 HydrophobicContact CG-CE2 4.15Å; K384-F386 HydrophobicContact CG-CZ 4.45Å
385Q24.7Very low27.1Very low118 Ų118146 Ų14655%0.55176%0.762SS**  trans-83.4137.1-179.1-176.3179.74.900111.5
386F27.7Very low28.2Very low170 Ų170151.1 Ų151.175%0.74676%0.759SS**  trans-119.7146.7170.9-70.7-88.7000110.5K384K384-F386 HydrophobicContact CD-CE2 4.23Å; K384-F386 HydrophobicContact CD-CZ 4.15Å; K384-F386 HydrophobicContact CG-CE2 4.15Å; K384-F386 HydrophobicContact CG-CZ 4.45Å
387N24.1Very low29.7Very low137 Ų137150.3 Ų150.373%0.73374%0.744SS**  trans-113.5122.4177.3-65.5-1.9000109.4
388S26.3Very low31.2Very low124 Ų124149.8 Ų149.887%0.86773%0.732SS**  trans-178.5144.3173.8-169.50000108
389A26.2Very low33Very low87 Ų87142 Ų14272%0.71971%0.706SS**  cis-157.7-179.6-17.600000108.3
390E24.6Very low35Very low192 Ų192139.6 Ų139.690%0.89770%0.698SS**  trans-57.6130.1-171.6-53.2171.1139.200115.4
391T27.7Very low37.2Very low144 Ų144132.7 Ų132.788%0.88368%0.678SS**  trans-143.2152.2152.653.50000111.1
392K27.6Very low39.3Very low208 Ų208129.5 Ų129.590%0.90467%0.67SS**  trans-83139.3-165.2-63.3171.1-179.3173.70112.5
393S31.1Very low41.5Very low123 Ų123126.3 Ų126.386%0.8665%0.653SS**  trans-67.4129.1177.746.80000112.8
394F38Very low43.7Very low151 Ų151123 Ų12366%0.66264%0.643SS**  trans-89.2110.5176-166.8-98000109.7W396 F399F394-W396 PolarHBondContact O-N 3.04Å; F394-F399 HydrophobicContact CE1-CB 3.94Å; F394-F399 AromaticContact CE1-CD2 3.93Å; F394-F399 HydrophobicContact CE1-CD2 3.93Å; F394-F399 HydrophobicContact CE1-CG 4.05Å; F394-F399 AromaticContact CZ-CD2 3.92Å; F394-F399 HydrophobicContact CZ-CD2 3.92Å; F394-F399 HydrophobicContact CZ-CG 4.48Å
395N42.6Very low46Very low95 Ų95121.6 Ų121.651%0.50864%0.637SS.*  trans-80.1102.1-171.5-160.712.4000111.2T397 N398 F399N395-T397 PolarHBondContact O-N 3.11Å; N395-T397 PolarHBondContact OD1-OG1 3.36Å; N395-T397 VanDerWaalsContact OD1-OG1 3.07Å; N395-N398 WeakPolarHBondContact O-CB 3.46Å; N395-N398 PolarHBondContact O-N 2.98Å; N395-F399 PolarHBondContact O-N 3.5Å
396W49Very low48.3Very low180 Ų180123.1 Ų123.168%0.68264%0.639SS**Hα-helixtrans-58.2-30-174-104.680.4000114.4F394 N398 F399 I400F394-W396 PolarHBondContact O-N 3.04Å; W396-N398 VanDerWaalsContact C-N 3.32Å; W396-N398 PolarHBondContact O-N 3.48Å; W396-F399 WeakPolarHBondContact O-CB 2.89Å; W396-F399 PolarHBondContact O-N 2.93Å; W396-F399 VanDerWaalsContact O-N 3.15Å; W396-I400 HydrophobicContact CE3-CD1 4.2Å; W396-I400 HydrophobicContact CE3-CG1 4.31Å; W396-I400 PolarHBondContact O-N 3.31Å
397T54.8Low50Low83 Ų83120.8 Ų120.851%0.50963%0.626SS.*Hα-helixtrans-60.3-40.117230.70000112.2N395 F399 I400 I401N395-T397 PolarHBondContact O-N 3.11Å; N395-T397 PolarHBondContact OD1-OG1 3.36Å; N395-T397 VanDerWaalsContact OD1-OG1 3.07Å; T397-F399 VanDerWaalsContact C-N 3.31Å; T397-F399 PolarHBondContact O-N 2.68Å; T397-I400 PolarHBondContact O-N 3.37Å; T397-I401 WeakPolarHBondContact O-CB 3.07Å; T397-I401 WeakPolarHBondContact O-CD1 3.16Å; T397-I401 WeakPolarHBondContact O-CG1 3.47Å; T397-I401 PolarHBondContact O-N 2.57Å
398N56.4Low52.1Low101 Ų101119.1 Ų119.154%0.5462%0.617SS.*Hα-helixtrans-66.9-33.1175.2-71.5-11.7000111.8N395 W396 A402N395-N398 WeakPolarHBondContact O-CB 3.46Å; N395-N398 PolarHBondContact O-N 2.98Å; W396-N398 VanDerWaalsContact C-N 3.32Å; W396-N398 PolarHBondContact O-N 3.48Å; N398-A402 VanDerWaalsContact O-CB 3.26Å; N398-A402 WeakPolarHBondContact O-CB 3.4Å; N398-A402 PolarHBondContact O-N 3.42Å
399F63.9Low54.1Low91 Ų91118.9 Ų118.940%0.39960%0.603SS.*Hα-helixtrans-69.5-42.1176-169.5-108.3000112F394 N395 W396 T397 A402 L403F394-F399 HydrophobicContact CE1-CB 3.94Å; F394-F399 AromaticContact CE1-CD2 3.93Å; F394-F399 HydrophobicContact CE1-CD2 3.93Å; F394-F399 HydrophobicContact CE1-CG 4.05Å; F394-F399 AromaticContact CZ-CD2 3.92Å; F394-F399 HydrophobicContact CZ-CD2 3.92Å; F394-F399 HydrophobicContact CZ-CG 4.48Å; N395-F399 PolarHBondContact O-N 3.5Å; W396-F399 WeakPolarHBondContact O-CB 2.89Å; W396-F399 PolarHBondContact O-N 2.93Å; W396-F399 VanDerWaalsContact O-N 3.15Å; T397-F399 VanDerWaalsContact C-N 3.31Å; T397-F399 PolarHBondContact O-N 2.68Å; F399-A402 PolarHBondContact O-N 2.84Å; F399-L403 HydrophobicContact CD1-CD1 3.81Å; F399-L403 HydrophobicContact CE1-CD1 3.44Å; F399-L403 VanDerWaalsContact CE1-CD1 3.44Å; F399-L403 HydrophobicContact CE1-CG 4.5Å; F399-L403 HydrophobicContact CZ-CD1 3.99Å; F399-L403 WeakPolarHBondContact O-CB 3.35Å; F399-L403 PolarHBondContact O-N 3.33Å
400I67.6Low55.9Low84 Ų84118.5 Ų118.543%0.43159%0.589SS.*Hα-helixtrans-66.2-40174.4-67.6175.6000111.2W396 T397 L403 N404W396-I400 HydrophobicContact CE3-CD1 4.2Å; W396-I400 HydrophobicContact CE3-CG1 4.31Å; W396-I400 PolarHBondContact O-N 3.31Å; T397-I400 PolarHBondContact O-N 3.37Å; I400-L403 PolarHBondContact O-N 3.32Å; I400-N404 PolarHBondContact O-N 3.35Å; I400-N404 PolarHBondContact O-ND2 2.86Å
401I70.7Confident57.5Low92 Ų92112.8 Ų112.847%0.47257%0.567SS.*Hα-helixtrans-63.1-44.8174.2-69.4163.7000110.5T397 L403 N404 F405T397-I401 WeakPolarHBondContact O-CB 3.07Å; T397-I401 WeakPolarHBondContact O-CD1 3.16Å; T397-I401 WeakPolarHBondContact O-CG1 3.47Å; T397-I401 PolarHBondContact O-N 2.57Å; I401-L403 PolarHBondContact O-N 3.13Å; I401-N404 PolarHBondContact O-N 3.16Å; I401-F405 HydrophobicContact CG2-CD2 3.97Å; I401-F405 HydrophobicContact CG2-CE2 4.28Å; I401-F405 PolarHBondContact O-N 2.96Å
402A68Low59Low54 Ų54111.4 Ų111.445%0.44655%0.554SS.*Hα-helixtrans-62.6-41.3177.200000112.7N398 F399 F405 Y406N398-A402 VanDerWaalsContact O-CB 3.26Å; N398-A402 WeakPolarHBondContact O-CB 3.4Å; N398-A402 PolarHBondContact O-N 3.42Å; F399-A402 PolarHBondContact O-N 2.84Å; A402-F405 PolarHBondContact O-N 3.02Å; A402-Y406 WeakPolarHBondContact O-CB 3.42Å; A402-Y406 PolarHBondContact O-N 3.36Å
403L70.4Confident60.3Low90 Ų90110.3 Ų110.347%0.47155%0.55SS.*Hα-helixtrans-62.3-43.3174.4-95.8160000112.4F399 I400 I401 Y406 Y407F399-L403 HydrophobicContact CD1-CD1 3.81Å; F399-L403 HydrophobicContact CE1-CD1 3.44Å; F399-L403 VanDerWaalsContact CE1-CD1 3.44Å; F399-L403 HydrophobicContact CE1-CG 4.5Å; F399-L403 HydrophobicContact CZ-CD1 3.99Å; F399-L403 WeakPolarHBondContact O-CB 3.35Å; F399-L403 PolarHBondContact O-N 3.33Å; I400-L403 PolarHBondContact O-N 3.32Å; I401-L403 PolarHBondContact O-N 3.13Å; L403-Y406 PolarHBondContact O-N 3.27Å; L403-Y407 WeakPolarHBondContact O-CB 3.09Å; L403-Y407 PolarHBondContact O-N 3.21Å
404N71.2Confident61.1Low97 Ų97109.6 Ų109.652%0.51955%0.545SS..Hα-helixtrans-65.4-41.2175.9-79.9-75.2000112.1I400 I401 Y407 L408I400-N404 PolarHBondContact O-N 3.35Å; I400-N404 PolarHBondContact O-ND2 2.86Å; I401-N404 PolarHBondContact O-N 3.16Å; N404-Y407 PolarHBondContact O-N 3.2Å; N404-L408 WeakPolarHBondContact O-CB 3.5Å; N404-L408 PolarHBondContact O-N 3.45Å
405F73.4Confident61.4Low132 Ų132113.8 Ų113.858%0.57957%0.569SS**Hα-helixtrans-62.3-41.5173.4-101.4-83.9000112.4I401 A402 Y407 L408 M409I401-F405 HydrophobicContact CG2-CD2 3.97Å; I401-F405 HydrophobicContact CG2-CE2 4.28Å; I401-F405 PolarHBondContact O-N 2.96Å; A402-F405 PolarHBondContact O-N 3.02Å; F405-Y407 VanDerWaalsContact C-N 3.35Å; F405-L408 PolarHBondContact O-N 2.91Å; F405-M409 WeakPolarHBondContact O-CG 3.3Å; F405-M409 PolarHBondContact O-N 3.05Å
406Y72.3Confident62.4Low151 Ų151114.7 Ų114.759%0.59257%0.572SS**Hα-helixtrans-65.4-38.4176.8-171.8-109.3000112A402 L403 M409 N410A402-Y406 WeakPolarHBondContact O-CB 3.42Å; A402-Y406 PolarHBondContact O-N 3.36Å; L403-Y406 PolarHBondContact O-N 3.27Å; Y406-M409 PolarHBondContact O-N 3.31Å; Y406-N410 WeakPolarHBondContact CE1-ND2 3.29Å; Y406-N410 PolarHBondContact O-N 3.47Å; Y406-N410 PolarHBondContact O-ND2 3.47Å
407Y63.5Low63.1Low121 Ų121111.3 Ų111.348%0.47557%0.567SS.*Hα-helixtrans-63.2-48174.2-147.8-88.7000111.4F7 L403 N404 F405 M409 N410 T411F7-Y407 WeakPolarHBondContact CZ-OH 3.46Å; L403-Y407 WeakPolarHBondContact O-CB 3.09Å; L403-Y407 PolarHBondContact O-N 3.21Å; N404-Y407 PolarHBondContact O-N 3.2Å; F405-Y407 VanDerWaalsContact C-N 3.35Å; Y407-M409 VanDerWaalsContact C-N 3.35Å; Y407-M409 PolarHBondContact O-N 3.33Å; Y407-N410 PolarHBondContact O-N 3.43Å; Y407-T411 HydrophobicContact CD1-CG2 3.99Å; Y407-T411 HydrophobicContact CE1-CG2 4.05Å; Y407-T411 WeakPolarHBondContact O-CG2 3.28Å; Y407-T411 PolarHBondContact O-N 3.14Å; Y407-T411 PolarHBondContact O-OG1 3.1Å; Y407-T411 VanDerWaalsContact O-OG1 3.08Å
408L68.2Low63.5Low102 Ų102112.8 Ų112.853%0.53457%0.57SS.*Hα-helixtrans-59.3-40.4176.3-98.8155.8000113.1N404 F405 T411 N412N404-L408 WeakPolarHBondContact O-CB 3.5Å; N404-L408 PolarHBondContact O-N 3.45Å; F405-L408 PolarHBondContact O-N 2.91Å; L408-T411 PolarHBondContact O-OG1 3.2Å; L408-T411 VanDerWaalsContact O-OG1 3.11Å; L408-N412 PolarHBondContact O-N 3.33Å; L408-N412 PolarHBondContact O-ND2 3.24Å
409M69.5Low64Low119 Ų119113.5 Ų113.559%0.58657%0.572SS**Hα-helixtrans-66.9-45.1176.3-73.9-66.2-172.600111.8F405 Y406 Y407 N412 F413F405-M409 WeakPolarHBondContact O-CG 3.3Å; F405-M409 PolarHBondContact O-N 3.05Å; Y406-M409 PolarHBondContact O-N 3.31Å; Y407-M409 VanDerWaalsContact C-N 3.35Å; Y407-M409 PolarHBondContact O-N 3.33Å; M409-N412 PolarHBondContact O-N 3.36Å; M409-F413 PolarHBondContact O-N 3.41Å
410N63.9Low64Low79 Ų79114.9 Ų114.942%0.42258%0.582SS.*Hα-helixtrans-69-33.6-180-75.5-22.4000113.2Y406 Y407 N412 F413Y406-N410 WeakPolarHBondContact CE1-ND2 3.29Å; Y406-N410 PolarHBondContact O-N 3.47Å; Y406-N410 PolarHBondContact O-ND2 3.47Å; Y407-N410 PolarHBondContact O-N 3.43Å; N410-N412 VanDerWaalsContact C-N 3.32Å; N410-F413 PolarHBondContact O-N 3.5Å
411T58.5Low63.7Low71 Ų71117 Ų11744%0.43659%0.593SS.*Hα-helixtrans-70.4-27.5174.950.90000113.2Y407 L408Y407-T411 HydrophobicContact CD1-CG2 3.99Å; Y407-T411 HydrophobicContact CE1-CG2 4.05Å; Y407-T411 WeakPolarHBondContact O-CG2 3.28Å; Y407-T411 PolarHBondContact O-N 3.14Å; Y407-T411 PolarHBondContact O-OG1 3.1Å; Y407-T411 VanDerWaalsContact O-OG1 3.08Å; L408-T411 PolarHBondContact O-OG1 3.2Å; L408-T411 VanDerWaalsContact O-OG1 3.11Å
412N57.8Low63.2Low115 Ų115118.8 Ų118.862%0.61560%0.601SS**Hα-helixtrans-87-6.2176.8-75.4-63.4000113.9L408 M409 N410L408-N412 PolarHBondContact O-N 3.33Å; L408-N412 PolarHBondContact O-ND2 3.24Å; M409-N412 PolarHBondContact O-N 3.36Å; N410-N412 VanDerWaalsContact C-N 3.32Å
413F54.9Low62.9Low186 Ų186123.8 Ų123.882%0.81661%0.613SS**THydrogen-bonded Turntrans-101.67.9176.1-115.8-86.2000113.8M409 N410M409-F413 PolarHBondContact O-N 3.41Å; N410-F413 PolarHBondContact O-N 3.5Å
414S49.6Very low62.2Low107 Ų107126.6 Ų126.675%0.74863%0.625SS**  trans-125.220.1-179.6-172.80000113.3
415M44.1Very low61.4Low239 Ų239129.3 Ų129.3100%1.17764%0.635SS**  trans-118.30161.2-99.9-173.8161.100108.5

Retrieved 415 of 415 residues in 70.6 ms (Link to these results)