A0A5K4F7L3_SCHMA Loading...

G_PROTEIN_RECEP_F2_4 domain-containing protein

AlphaFold DB , UniProt , Accession A0A5K4F7L3, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 624 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
1M52.5Low79Confident167 Ų16792.6 Ų92.682%0.82352%0.515SS*.  0-42.40-85.2176.8-17400110.8T3 N4 I5M1-T3 VanDerWaalsContact C-N 3.32Å; M1-T3 PolarHBondContact O-N 3.15Å; M1-N4 PolarHBondContact O-N 3.12Å; M1-N4 VanDerWaalsContact O-N 3.12Å; M1-I5 PolarHBondContact O-N 3.27Å
2D63Low80Confident132 Ų13289.5 Ų89.571%0.70649%0.492SS*.Hα-helixtrans-58.9-35.3-174.9-49.9-33.3000115N4 I5 L6D2-N4 PolarHBondContact O-N 3.5Å; D2-I5 PolarHBondContact O-N 3.36Å; D2-L6 PolarHBondContact O-N 2.97Å
3T75.6Confident80.6Confident101 Ų10191.5 Ų91.562%0.6249%0.493SS*.Hα-helixtrans-60.8-41.9175.843.40000112.8M1 L6 L7M1-T3 VanDerWaalsContact C-N 3.32Å; M1-T3 PolarHBondContact O-N 3.15Å; T3-L6 PolarHBondContact O-N 3.04Å; T3-L7 VanDerWaalsContact O-CG 3.26Å; T3-L7 WeakPolarHBondContact O-CG 3.42Å; T3-L7 PolarHBondContact O-N 3.21Å
4N75.9Confident81.3Confident72 Ų7294.9 Ų94.939%0.38551%0.511SS..Hα-helixtrans-72.6-33.7-179-67.6-10.5000111.8M1 D2 C8 L31M1-N4 PolarHBondContact O-N 3.12Å; M1-N4 VanDerWaalsContact O-N 3.12Å; D2-N4 PolarHBondContact O-N 3.5Å; N4-C8 WeakPolarHBondContact O-CB 3.41Å; N4-C8 PolarHBondContact O-N 3.38Å; N4-L31 HydrophobicContact CB-CD2 4.26Å
5I77.6Confident81.8Confident85 Ų8593.4 Ų93.444%0.43650%0.499SS..Hα-helixtrans-66-44.9175.4-62.9170.7000109.9M1 D2 L7 C8 S9 L31M1-I5 PolarHBondContact O-N 3.27Å; D2-I5 PolarHBondContact O-N 3.36Å; I5-L7 PolarHBondContact O-N 2.67Å; I5-C8 WeakPolarHBondContact O-CB 3.46Å; I5-C8 PolarHBondContact O-N 3.32Å; I5-S9 PolarHBondContact O-N 3.44Å; I5-L31 HydrophobicContact CG1-CB 4.4Å
6L82.9Confident82.2Confident106 Ų10688.3 Ų88.356%0.55547%0.473SS*.Hα-helixtrans-64.5-40.2177.7-171.567.6000112D2 T3 S9 N10D2-L6 PolarHBondContact O-N 2.97Å; T3-L6 PolarHBondContact O-N 3.04Å; L6-S9 PolarHBondContact O-N 3.39Å; L6-N10 VanDerWaalsContact O-CB 3.28Å; L6-N10 WeakPolarHBondContact O-CB 3.45Å; L6-N10 VanDerWaalsContact O-CG 3.25Å; L6-N10 PolarHBondContact O-N 3.04Å; L6-N10 PolarHBondContact O-ND2 3.25Å
7L87.2Confident82.6Confident109 Ų10987.7 Ų87.757%0.57147%0.47SS*.Hα-helixtrans-62.3-42.5174.5-73.6168.7000112T3 I5 N10 S11T3-L7 VanDerWaalsContact O-CG 3.26Å; T3-L7 WeakPolarHBondContact O-CG 3.42Å; T3-L7 PolarHBondContact O-N 3.21Å; I5-L7 PolarHBondContact O-N 2.67Å; L7-N10 PolarHBondContact O-N 3.33Å; L7-S11 WeakPolarHBondContact O-CB 3.48Å; L7-S11 PolarHBondContact O-N 2.95Å; L7-S11 PolarHBondContact O-OG 2.89Å
8C89.5Confident83.1Confident6 Ų690.7 Ų90.74%0.04148%0.475CS..Hα-helixtrans-61-50.1175.4176.20000111.3N4 I5 N10 S11 F12 L31 C37N4-C8 WeakPolarHBondContact O-CB 3.41Å; N4-C8 PolarHBondContact O-N 3.38Å; I5-C8 WeakPolarHBondContact O-CB 3.46Å; I5-C8 PolarHBondContact O-N 3.32Å; C8-N10 PolarHBondContact O-N 3.33Å; C8-S11 WeakPolarHBondContact O-CB 3.41Å; C8-S11 PolarHBondContact O-N 2.87Å; C8-F12 WeakPolarHBondContact O-CD2 3.27Å; C8-L31 HydrophobicContact CB-CD1 3.69Å; C8-C37 WeakPolarHBondContact CA-SG 3.41Å; C8-C37 HydrophobicContact CB-CB 3.84Å; C8-C37 WeakPolarHBondContact CB-SG 3.46Å; C8-C37 WeakPolarHBondContact SG-CB 3.49Å; C8-C37 CovalentContact SG-SG 2.02Å; C8-C37 PolarHBondContact SG-SG 3.24Å
9S87.8Confident83.4Confident56 Ų5687.4 Ų87.439%0.39246%0.456SS..Hα-helixtrans-63.3-40.8178.8-169.50000112.6I5 L6 S11 F12 K13I5-S9 PolarHBondContact O-N 3.44Å; L6-S9 PolarHBondContact O-N 3.39Å; S9-S11 VanDerWaalsContact C-N 3.27Å; S9-S11 PolarHBondContact O-N 3.14Å; S9-F12 PolarHBondContact O-N 3.17Å; S9-K13 PolarHBondContact O-N 3.49Å
10N88.7Confident83.6Confident94 Ų9488.2 Ų88.250%0.50346%0.457SS..Hα-helixtrans-66.4-30.7178.2-78.4-21.4000112.5L6 L7 C8 F12 K13L6-N10 VanDerWaalsContact O-CB 3.28Å; L6-N10 WeakPolarHBondContact O-CB 3.45Å; L6-N10 VanDerWaalsContact O-CG 3.25Å; L6-N10 PolarHBondContact O-N 3.04Å; L6-N10 PolarHBondContact O-ND2 3.25Å; L7-N10 PolarHBondContact O-N 3.33Å; C8-N10 PolarHBondContact O-N 3.33Å; N10-F12 PolarHBondContact O-N 3.38Å; N10-K13 PolarHBondContact O-N 3.38Å
11S88.3Confident83.9Confident91 Ų9187.3 Ų87.364%0.63647%0.469SS*.Hα-helixtrans-65.7-27.1179.2-60.50000112.5L7 C8 S9L7-S11 WeakPolarHBondContact O-CB 3.48Å; L7-S11 PolarHBondContact O-N 2.95Å; L7-S11 PolarHBondContact O-OG 2.89Å; C8-S11 WeakPolarHBondContact O-CB 3.41Å; C8-S11 PolarHBondContact O-N 2.87Å; S9-S11 VanDerWaalsContact C-N 3.27Å; S9-S11 PolarHBondContact O-N 3.14Å
12F90.9Very high85.6Confident55 Ų5583.1 Ų83.124%0.24145%0.449CS..THydrogen-bonded Turntrans-116.622.8-177.8-63.7-74.7000113.8C8 S9 N10 N14 E15 S16 A29 P39 P40C8-F12 WeakPolarHBondContact O-CD2 3.27Å; S9-F12 PolarHBondContact O-N 3.17Å; N10-F12 PolarHBondContact O-N 3.38Å; F12-N14 PolarHBondContact O-N 3.21Å; F12-E15 PolarHBondContact O-N 3.07Å; F12-S16 PolarHBondContact O-N 3.23Å; F12-S16 PolarHBondContact O-OG 3.11Å; F12-A29 HydrophobicContact CB-CB 4.27Å; F12-A29 HydrophobicContact CD2-CB 4.21Å; F12-P39 HydrophobicContact CD1-CB 4.01Å; F12-P39 HydrophobicContact CE1-CB 3.66Å; F12-P39 HydrophobicContact CE2-CB 4.25Å; F12-P39 HydrophobicContact CG-CB 4.45Å; F12-P39 HydrophobicContact CZ-CB 3.8Å; F12-P40 HydrophobicContact CB-CG 3.83Å; F12-P40 VanDerWaalsContact CG-CD 3.48Å; F12-P40 HydrophobicContact CG-CG 4.42Å
13K88.5Confident86.7Confident116 Ų11684.2 Ų84.250%0.50446%0.455SS..Hα-helixtrans-60.1-48.1-177.3-172.4176.8178.2-179.10112.5S9 N10 E15 S16 D17S9-K13 PolarHBondContact O-N 3.49Å; N10-K13 PolarHBondContact O-N 3.38Å; K13-E15 VanDerWaalsContact C-N 3.28Å; K13-E15 PolarHBondContact O-N 3.23Å; K13-S16 WeakPolarHBondContact O-CB 3.45Å; K13-S16 PolarHBondContact O-N 3.16Å; K13-D17 VanDerWaalsContact O-CG 3.23Å; K13-D17 PolarHBondContact O-N 3.03Å
14N89.4Confident87.3Confident139 Ų13983.4 Ų83.474%0.74345%0.445SS*.Hα-helixtrans-60-37-179.3-70-4.4000113.2F12 Y18F12-N14 PolarHBondContact O-N 3.21Å; N14-Y18 WeakPolarHBondContact O-CB 3.39Å; N14-Y18 PolarHBondContact O-N 2.73Å; N14-Y18 VanDerWaalsContact O-N 3.1Å
15E88.9Confident88.1Confident72 Ų7283.4 Ų83.434%0.33645%0.45SS..Hα-helixtrans-74.6-36.6-179.9-164.7177-175.200111F12 K13 Y18 Y19 P40F12-E15 PolarHBondContact O-N 3.07Å; K13-E15 VanDerWaalsContact C-N 3.28Å; K13-E15 PolarHBondContact O-N 3.23Å; E15-Y18 WeakPolarHBondContact O-CB 3.34Å; E15-Y18 PolarHBondContact O-N 3.12Å; E15-Y19 HydrophobicContact CG-CD2 4.43Å; E15-Y19 HydrophobicContact CG-CE2 3.65Å; E15-Y19 WeakPolarHBondContact O-CD2 3.24Å; E15-Y19 PolarHBondContact O-N 2.79Å; E15-Y19 PolarHBondContact OE1-OH 2.91Å; E15-P40 HydrophobicContact CB-CG 3.9Å; E15-P40 HydrophobicContact CG-CG 3.95Å
16S88.6Confident88.8Confident12 Ų1280.2 Ų80.28%0.08443%0.433CS..Hα-helixtrans-64.3-46.4172.2-51.70000111.3F12 K13 Y18 Y19 E20F12-S16 PolarHBondContact O-N 3.23Å; F12-S16 PolarHBondContact O-OG 3.11Å; K13-S16 WeakPolarHBondContact O-CB 3.45Å; K13-S16 PolarHBondContact O-N 3.16Å; S16-Y18 PolarHBondContact O-N 3.13Å; S16-Y19 PolarHBondContact O-N 3.43Å; S16-E20 PolarHBondContact O-N 3.28Å
17D89.4Confident89.3Confident78 Ų7875.2 Ų75.242%0.41741%0.407SS..Hα-helixtrans-60.2-33.9177.3-67.5-12.7000111.5K13 G21K13-D17 VanDerWaalsContact O-CG 3.23Å; K13-D17 PolarHBondContact O-N 3.03Å; D17-G21 PolarHBondContact O-N 3.3Å
18Y90.6Very high89.6Confident142 Ų14275.3 Ų75.356%0.55740%0.404SS*.Hα-helixtrans-67.7-44.7176177.9-110.1000112.6N14 E15 S16 G21 M22N14-Y18 WeakPolarHBondContact O-CB 3.39Å; N14-Y18 PolarHBondContact O-N 2.73Å; N14-Y18 VanDerWaalsContact O-N 3.1Å; E15-Y18 WeakPolarHBondContact O-CB 3.34Å; E15-Y18 PolarHBondContact O-N 3.12Å; S16-Y18 PolarHBondContact O-N 3.13Å; Y18-G21 PolarHBondContact O-N 3.15Å; Y18-M22 HydrophobicContact CD1-CE 3.54Å; Y18-M22 HydrophobicContact CD2-CE 4.33Å; Y18-M22 HydrophobicContact CE1-CE 3.06Å; Y18-M22 HydrophobicContact CE1-SD 4.07Å; Y18-M22 HydrophobicContact CE2-CE 3.91Å; Y18-M22 HydrophobicContact CE2-SD 3.96Å; Y18-M22 HydrophobicContact CG-CE 4.15Å; Y18-M22 VanDerWaalsContact CZ-SD 3.59Å; Y18-M22 PolarHBondContact O-N 2.92Å; Y18-M22 PolarHBondContact OH-SD 3.39Å
19Y89.5Confident89.7Confident27 Ų2775.7 Ų75.711%0.10641%0.408CS..Hα-helixtrans-68-37176.8-62.5-45.8000112.3E15 S16 M22 N23 M24 Y26 P40 L42E15-Y19 HydrophobicContact CG-CD2 4.43Å; E15-Y19 HydrophobicContact CG-CE2 3.65Å; E15-Y19 WeakPolarHBondContact O-CD2 3.24Å; E15-Y19 PolarHBondContact O-N 2.79Å; E15-Y19 PolarHBondContact OE1-OH 2.91Å; S16-Y19 PolarHBondContact O-N 3.43Å; Y19-M22 HydrophobicContact CD1-CE 4.23Å; Y19-M22 PolarHBondContact O-N 2.85Å; Y19-N23 PolarHBondContact O-N 3.14Å; Y19-M24 PolarHBondContact O-N 3.27Å; Y19-Y26 HydrophobicContact CD2-CD2 4.05Å; Y19-Y26 HydrophobicContact CD2-CG 4.06Å; Y19-Y26 HydrophobicContact CG-CD1 4.41Å; Y19-Y26 HydrophobicContact CG-CG 4.23Å; Y19-P40 HydrophobicContact CD2-CB 4.29Å; Y19-P40 HydrophobicContact CE2-CB 4.17Å; Y19-P40 HydrophobicContact CE2-CG 4.32Å; Y19-L42 HydrophobicContact CD1-CD2 3.55Å; Y19-L42 HydrophobicContact CD1-CG 4.17Å; Y19-L42 HydrophobicContact CE1-CD1 4.19Å; Y19-L42 HydrophobicContact CE1-CD2 3.69Å; Y19-L42 HydrophobicContact CE1-CG 3.76Å; Y19-L42 HydrophobicContact CG-CD2 4.22Å
20E87.4Confident89.8Confident104 Ų10475.2 Ų75.249%0.48640%0.403SS..Hα-helixtrans-63-43.8172-74.6-176.2-173.600111.8S16 M22 N23 Y26S16-E20 PolarHBondContact O-N 3.28Å; E20-M22 PolarHBondContact O-N 3.01Å; E20-N23 PolarHBondContact O-N 3.26Å; E20-N23 VanDerWaalsContact O-N 3.11Å; E20-Y26 HydrophobicContact CG-CE1 3.81Å; E20-Y26 WeakPolarHBondContact CG-OH 3.48Å; E20-Y26 PolarHBondContact OE1-OH 3.14Å
21G88.8Confident89.8Confident69 Ų6972.5 Ų72.571%0.71139%0.388SS*.Hα-helixtrans-61.4-2417800000114.4D17 Y18D17-G21 PolarHBondContact O-N 3.3Å; Y18-G21 PolarHBondContact O-N 3.15Å
22M89Confident89.6Confident80 Ų8069.5 Ų69.539%0.39437%0.365SS..THydrogen-bonded Turntrans-99.12.5178.1-66.1-169.5-63.400114.3Y18 Y19 E20 M24Y18-M22 HydrophobicContact CD1-CE 3.54Å; Y18-M22 HydrophobicContact CD2-CE 4.33Å; Y18-M22 HydrophobicContact CE1-CE 3.06Å; Y18-M22 HydrophobicContact CE1-SD 4.07Å; Y18-M22 HydrophobicContact CE2-CE 3.91Å; Y18-M22 HydrophobicContact CE2-SD 3.96Å; Y18-M22 HydrophobicContact CG-CE 4.15Å; Y18-M22 VanDerWaalsContact CZ-SD 3.59Å; Y18-M22 PolarHBondContact O-N 2.92Å; Y18-M22 PolarHBondContact OH-SD 3.39Å; Y19-M22 HydrophobicContact CD1-CE 4.23Å; Y19-M22 PolarHBondContact O-N 2.85Å; E20-M22 PolarHBondContact O-N 3.01Å; M22-M24 HydrophobicContact CB-CG 3.88Å; M22-M24 HydrophobicContact CB-SD 4.25Å; M22-M24 HydrophobicContact CE-CG 4.49Å; M22-M24 HydrophobicContact CE-SD 3.56Å; M22-M24 VanDerWaalsContact CE-SD 3.56Å; M22-M24 PolarHBondContact O-N 2.84Å; M22-M24 HydrophobicContact SD-SD 4.37Å
23N87Confident89Confident155 Ų15572.4 Ų72.483%0.82939%0.392SS*.THydrogen-bonded Turntrans52.735.6-173.7-72.6-27.4000113.6Y19 E20Y19-N23 PolarHBondContact O-N 3.14Å; E20-N23 PolarHBondContact O-N 3.26Å; E20-N23 VanDerWaalsContact O-N 3.11Å
24M88.3Confident88.5Confident83 Ų8369.4 Ų69.441%0.40938%0.381SS..  trans-86.8145.5176-62.2-174.182.900110.4Y19 M22 Y26 L42Y19-M24 PolarHBondContact O-N 3.27Å; M22-M24 HydrophobicContact CB-CG 3.88Å; M22-M24 HydrophobicContact CB-SD 4.25Å; M22-M24 HydrophobicContact CE-CG 4.49Å; M22-M24 HydrophobicContact CE-SD 3.56Å; M22-M24 VanDerWaalsContact CE-SD 3.56Å; M22-M24 PolarHBondContact O-N 2.84Å; M22-M24 HydrophobicContact SD-SD 4.37Å; M24-Y26 WeakPolarHBondContact O-CD1 3.3Å; M24-L42 HydrophobicContact CB-CD2 3.75Å; M24-L42 HydrophobicContact CE-CD1 3.83Å; M24-L42 HydrophobicContact CE-CD2 3.63Å; M24-L42 HydrophobicContact CE-CG 4.37Å; M24-L42 HydrophobicContact CG-CD2 4.35Å; M24-L42 HydrophobicContact SD-CD1 4.46Å; M24-L42 HydrophobicContact SD-CD2 3.73Å
25S91.5Very high88Confident72 Ų7268 Ų6850%0.50337%0.369SS..  trans-77.5130.5168.749.20000109.4A43S25-A43 VanDerWaalsContact O-CB 3.28Å; S25-A43 WeakPolarHBondContact O-CB 3.38Å; S25-A43 PolarHBondContact O-N 3.34Å; S25-A43 VanDerWaalsContact OG-CB 3.29Å; S25-A43 WeakPolarHBondContact OG-CB 3.37Å
26Y93.3Very high87.9Confident18 Ų1865.6 Ų65.67%0.07136%0.359CS..EExtended strand (participates in β ladder)trans-149.3159.7-176.573.5-84.1000110.3Y19 E20 M24 H28 P40 T41Y19-Y26 HydrophobicContact CD2-CD2 4.05Å; Y19-Y26 HydrophobicContact CD2-CG 4.06Å; Y19-Y26 HydrophobicContact CG-CD1 4.41Å; Y19-Y26 HydrophobicContact CG-CG 4.23Å; E20-Y26 HydrophobicContact CG-CE1 3.81Å; E20-Y26 WeakPolarHBondContact CG-OH 3.48Å; E20-Y26 PolarHBondContact OE1-OH 3.14Å; M24-Y26 WeakPolarHBondContact O-CD1 3.3Å; Y26-H28 AromaticContact CE2-CE1 3.87Å; Y26-H28 AromaticContact CE2-ND1 3.61Å; Y26-H28 AromaticContact CZ-CE1 3.58Å; Y26-H28 AromaticContact CZ-ND1 3.76Å; Y26-H28 PolarHBondContact OH-CE1 3.33Å; Y26-H28 PolarHBondContact OH-ND1 2.99Å; Y26-P40 HydrophobicContact CD2-CB 4.14Å; Y26-P40 HydrophobicContact CE2-CB 4.35Å; Y26-T41 CarbonylContact C-O 3.59Å; Y26-T41 VanDerWaalsContact CA-O 3.28Å; Y26-T41 WeakPolarHBondContact CA-O 3.42Å; Y26-T41 WeakPolarHBondContact CB-O 3.47Å
27C93.9Very high88Confident1 Ų166.6 Ų66.61%0.00737%0.365CS..EExtended strand (participates in β ladder)trans-92.8128.7172.2-62.30000109.7P40 T41 C70 G74 S75 W76C27-P40 WeakPolarHBondContact O-CA 3.42Å; C27-T41 PolarHBondContact N-O 3.37Å; C27-T41 PolarHBondContact O-N 3.01Å; C27-T41 VanDerWaalsContact O-N 3.15Å; C27-C70 HydrophobicContact CB-CB 3.85Å; C27-C70 WeakPolarHBondContact CB-SG 3.37Å; C27-C70 PolarHBondContact N-SG 3.46Å; C27-C70 WeakPolarHBondContact SG-CA 3.19Å; C27-C70 WeakPolarHBondContact SG-CB 3.29Å; C27-C70 CovalentContact SG-SG 2.02Å; C27-C70 PolarHBondContact SG-SG 2.95Å; C27-G74 PolarHBondContact SG-O 3.09Å; C27-S75 PolarHBondContact SG-O 3.28Å; C27-W76 HydrophobicContact CB-CD2 3.6Å; C27-W76 HydrophobicContact CB-CE3 4.14Å; C27-W76 HydrophobicContact CB-CG 3.97Å; C27-W76 HydrophobicContact CB-CH2 4.19Å; C27-W76 HydrophobicContact CB-CZ2 3.63Å; C27-W76 HydrophobicContact CB-CZ3 4.42Å; C27-W76 PolarHBondContact SG-N 3.3Å
28H91.9Very high88.2Confident111 Ų11162.9 Ų62.951%0.51435%0.345SS..PPolyproline II helixtrans-68.5153.4-179.7-66.8-86.9000113Y26 T30 W76Y26-H28 AromaticContact CE2-CE1 3.87Å; Y26-H28 AromaticContact CE2-ND1 3.61Å; Y26-H28 AromaticContact CZ-CE1 3.58Å; Y26-H28 AromaticContact CZ-ND1 3.76Å; Y26-H28 PolarHBondContact OH-CE1 3.33Å; Y26-H28 PolarHBondContact OH-ND1 2.99Å; H28-T30 PolarHBondContact O-N 3.25Å; H28-W76 PolarHBondContact O-NE1 3.43Å
29A91.7Very high88.3Confident15 Ų1557 Ų5712%0.12433%0.325CS..PPolyproline II helixtrans-56.4132.5174.200000111.6F12 W38F12-A29 HydrophobicContact CB-CB 4.27Å; F12-A29 HydrophobicContact CD2-CB 4.21Å; A29-W38 VanDerWaalsContact CA-O 3.23Å; A29-W38 WeakPolarHBondContact CA-O 3.23Å
30T90.6Very high88.5Confident46 Ų4655.8 Ų55.828%0.28232%0.32SS..EExtended strand (participates in β ladder)trans-148.1152.6-176.6-165.10000112.5H28 W38 W76H28-T30 PolarHBondContact O-N 3.25Å; T30-W38 HydrophobicContact CG2-CB 4.44Å; T30-W38 PolarHBondContact N-O 3.23Å; T30-W38 PolarHBondContact O-N 3.27Å; T30-W76 HydrophobicContact CG2-CG 4.29Å
31L88.3Confident88.8Confident36 Ų3651.4 Ų51.419%0.18830%0.3CS..EExtended strand (participates in β ladder)trans-94.1137.8174.6-132.490.9000109.6N4 I5 C8 H35 C37N4-L31 HydrophobicContact CB-CD2 4.26Å; I5-L31 HydrophobicContact CG1-CB 4.4Å; C8-L31 HydrophobicContact CB-CD1 3.69Å; L31-H35 HydrophobicContact CD2-CB 3.94Å; L31-H35 VanDerWaalsContact CD2-ND1 3.34Å; L31-H35 WeakPolarHBondContact CD2-ND1 3.38Å; L31-C37 HydrophobicContact CD1-CB 3.93Å
32N84Confident89Confident28 Ų2849.4 Ų49.415%0.1527%0.273CS..  trans-91-178.7168.266.19000112.1I34 H35 Q36 W38 Y82N32-I34 VanDerWaalsContact CG-CG1 3.47Å; N32-I34 VanDerWaalsContact ND2-CG1 3.34Å; N32-I34 WeakPolarHBondContact ND2-CG1 3.21Å; N32-I34 PolarHBondContact O-N 2.9Å; N32-I34 WeakPolarHBondContact OD1-CG1 3.29Å; N32-I34 PolarHBondContact OD1-N 3.1Å; N32-H35 PolarHBondContact O-N 3.31Å; N32-H35 VanDerWaalsContact O-N 3.12Å; N32-H35 PolarHBondContact OD1-N 2.91Å; N32-Q36 PolarHBondContact N-O 3.04Å; N32-Q36 VanDerWaalsContact N-O 3.16Å; N32-Q36 WeakPolarHBondContact OD1-CB 3.28Å; N32-Q36 PolarHBondContact OD1-N 3.14Å; N32-Q36 PolarHBondContact OD1-O 3.47Å; N32-W38 PolarHBondContact ND2-NE1 3.48Å; N32-W38 VanDerWaalsContact ND2-NE1 3.16Å; N32-Y82 PolarHBondContact ND2-OH 3.11Å
33S78.2Confident89.3Confident117 Ų11746.8 Ų46.882%0.81826%0.264SS*.THydrogen-bonded Turntrans-62.1-19.4179.850.70000114.6
34I77.6Confident89.6Confident53 Ų5341.3 Ų41.327%0.27224%0.244SC..THydrogen-bonded Turntrans-10016.9178.359.1174.3000112.6N32 Q36 P52 V55 Y82N32-I34 VanDerWaalsContact CG-CG1 3.47Å; N32-I34 VanDerWaalsContact ND2-CG1 3.34Å; N32-I34 WeakPolarHBondContact ND2-CG1 3.21Å; N32-I34 PolarHBondContact O-N 2.9Å; N32-I34 WeakPolarHBondContact OD1-CG1 3.29Å; N32-I34 PolarHBondContact OD1-N 3.1Å; I34-Q36 HydrophobicContact CG1-CB 4.2Å; I34-Q36 PolarHBondContact O-N 3.23Å; I34-P52 HydrophobicContact CD1-CG 4.05Å; I34-V55 HydrophobicContact CB-CG1 3.83Å; I34-V55 HydrophobicContact CB-CG2 4.29Å; I34-V55 HydrophobicContact CD1-CG1 4.38Å; I34-V55 HydrophobicContact CD1-CG2 4.29Å; I34-V55 HydrophobicContact CG2-CG1 3.46Å; I34-V55 VanDerWaalsContact CG2-CG1 3.46Å; I34-Y82 HydrophobicContact CD1-CE1 3.68Å; I34-Y82 HydrophobicContact CD1-CE2 4.28Å; I34-Y82 VanDerWaalsContact CD1-CZ 3.5Å; I34-Y82 WeakPolarHBondContact CD1-OH 3.41Å
35H79.9Confident89.9Confident108 Ų10842.2 Ų42.250%0.525%0.248SC..  trans60.120.8-179.8-59.8-60.2000115.8L31 N32L31-H35 HydrophobicContact CD2-CB 3.94Å; L31-H35 VanDerWaalsContact CD2-ND1 3.34Å; L31-H35 WeakPolarHBondContact CD2-ND1 3.38Å; N32-H35 PolarHBondContact O-N 3.31Å; N32-H35 VanDerWaalsContact O-N 3.12Å; N32-H35 PolarHBondContact OD1-N 2.91Å
36Q86.6Confident89.9Confident23 Ų2345 Ų4511%0.10725%0.251CS..  trans-83.8126172.6-162.8172.519.200109.6N32 I34 L49 P50 S66 Y82N32-Q36 PolarHBondContact N-O 3.04Å; N32-Q36 VanDerWaalsContact N-O 3.16Å; N32-Q36 WeakPolarHBondContact OD1-CB 3.28Å; N32-Q36 PolarHBondContact OD1-N 3.14Å; N32-Q36 PolarHBondContact OD1-O 3.47Å; I34-Q36 HydrophobicContact CG1-CB 4.2Å; I34-Q36 PolarHBondContact O-N 3.23Å; Q36-L49 HydrophobicContact CG-CD1 4.05Å; Q36-P50 PolarHBondContact NE2-O 2.88Å; Q36-S66 PolarHBondContact NE2-OG 2.97Å; Q36-Y82 PolarHBondContact OE1-OH 2.69Å
37C91.3Very high89.9Confident33 Ų3344.2 Ų44.222%0.22325%0.248CC..EExtended strand (participates in β ladder)trans-88.8111.5-178.3175.50000110.3C8 L31 L49C8-C37 WeakPolarHBondContact CA-SG 3.41Å; C8-C37 HydrophobicContact CB-CB 3.84Å; C8-C37 WeakPolarHBondContact CB-SG 3.46Å; C8-C37 WeakPolarHBondContact SG-CB 3.49Å; C8-C37 CovalentContact SG-SG 2.02Å; C8-C37 PolarHBondContact SG-SG 3.24Å; L31-C37 HydrophobicContact CD1-CB 3.93Å; C37-L49 VanDerWaalsContact O-CD1 3.26Å; C37-L49 WeakPolarHBondContact O-CD1 2.88Å
38W92.2Very high89.9Confident0 Ų050 Ų500%027%0.273CS..EExtended strand (participates in β ladder)trans-81.7129.6177.3-6987.4000110.7A29 T30 N32 A47 L49 R68 W76 A80A29-W38 VanDerWaalsContact CA-O 3.23Å; A29-W38 WeakPolarHBondContact CA-O 3.23Å; T30-W38 HydrophobicContact CG2-CB 4.44Å; T30-W38 PolarHBondContact N-O 3.23Å; T30-W38 PolarHBondContact O-N 3.27Å; N32-W38 PolarHBondContact ND2-NE1 3.48Å; N32-W38 VanDerWaalsContact ND2-NE1 3.16Å; W38-A47 HydrophobicContact CE3-CB 3.66Å; W38-A47 HydrophobicContact CZ3-CB 3.98Å; W38-L49 HydrophobicContact CD2-CD1 3.98Å; W38-L49 HydrophobicContact CE3-CD1 3.78Å; W38-L49 HydrophobicContact CE3-CG 4.3Å; W38-L49 HydrophobicContact CG-CD1 4.46Å; W38-L49 HydrophobicContact CH2-CD1 4.48Å; W38-L49 HydrophobicContact CZ3-CB 4.4Å; W38-L49 HydrophobicContact CZ3-CD1 4.05Å; W38-L49 HydrophobicContact CZ3-CG 4.25Å; W38-R68 HydrophobicContact CD2-CB 3.75Å; W38-R68 HydrophobicContact CD2-CG 4.36Å; W38-R68 HydrophobicContact CE3-CB 3.42Å; W38-R68 VanDerWaalsContact CE3-CB 3.42Å; W38-R68 HydrophobicContact CE3-CG 4.45Å; W38-R68 HydrophobicContact CH2-CB 3.63Å; W38-R68 HydrophobicContact CZ2-CB 3.94Å; W38-R68 HydrophobicContact CZ3-CB 3.36Å; W38-W76 HydrophobicContact CB-CH2 4.39Å; W38-W76 HydrophobicContact CB-CZ2 4.19Å; W38-A80 HydrophobicContact CH2-CB 4.01Å; W38-A80 HydrophobicContact CZ2-CB 3.4Å; W38-A80 VanDerWaalsContact CZ2-CB 3.4Å
39P93.6Very high89.9Confident19 Ų1946.3 Ų46.312%0.12326%0.257CS..PPolyproline II helixtrans-71.3156.6179.230.9-36.3000111.3F12 T41 A47 W76F12-P39 HydrophobicContact CD1-CB 4.01Å; F12-P39 HydrophobicContact CE1-CB 3.66Å; F12-P39 HydrophobicContact CE2-CB 4.25Å; F12-P39 HydrophobicContact CG-CB 4.45Å; F12-P39 HydrophobicContact CZ-CB 3.8Å; P39-T41 PolarHBondContact O-N 3.35Å; P39-T41 PolarHBondContact O-OG1 3.09Å; P39-A47 HydrophobicContact CG-CB 4.37Å; P39-W76 VanDerWaalsContact O-CH2 3.27Å; P39-W76 WeakPolarHBondContact O-CH2 3.44Å; P39-W76 WeakPolarHBondContact O-CZ2 3.37Å
40P93Very high89.8Confident1 Ų149.1 Ų49.11%0.00627%0.274CS..PPolyproline II helixtrans-62135.8173.929.1-33.6000109.9F12 E15 Y19 Y26 C27F12-P40 HydrophobicContact CB-CG 3.83Å; F12-P40 VanDerWaalsContact CG-CD 3.48Å; F12-P40 HydrophobicContact CG-CG 4.42Å; E15-P40 HydrophobicContact CB-CG 3.9Å; E15-P40 HydrophobicContact CG-CG 3.95Å; Y19-P40 HydrophobicContact CD2-CB 4.29Å; Y19-P40 HydrophobicContact CE2-CB 4.17Å; Y19-P40 HydrophobicContact CE2-CG 4.32Å; Y26-P40 HydrophobicContact CD2-CB 4.14Å; Y26-P40 HydrophobicContact CE2-CB 4.35Å; C27-P40 WeakPolarHBondContact O-CA 3.42Å
41T93.7Very high89.8Confident11 Ų1147.1 Ų47.17%0.06726%0.262CS..EExtended strand (participates in β ladder)trans-139.4139.5-172.1-63.80000110.5Y26 C27 P39 Q45 A47 C70 W76Y26-T41 CarbonylContact C-O 3.59Å; Y26-T41 VanDerWaalsContact CA-O 3.28Å; Y26-T41 WeakPolarHBondContact CA-O 3.42Å; Y26-T41 WeakPolarHBondContact CB-O 3.47Å; C27-T41 PolarHBondContact N-O 3.37Å; C27-T41 PolarHBondContact O-N 3.01Å; C27-T41 VanDerWaalsContact O-N 3.15Å; P39-T41 PolarHBondContact O-N 3.35Å; P39-T41 PolarHBondContact O-OG1 3.09Å; T41-Q45 HydrophobicContact CG2-CB 3.8Å; T41-A47 HydrophobicContact CG2-CB 4.45Å; T41-A47 WeakPolarHBondContact OG1-CB 3.13Å; T41-C70 HydrophobicContact CG2-CB 4.04Å; T41-C70 PolarHBondContact O-SG 3.08Å; T41-W76 WeakPolarHBondContact OG1-CH2 3.41Å
42L93.9Very high89.6Confident27 Ų2746.6 Ų46.614%0.14126%0.261CS..EExtended strand (participates in β ladder)trans-61.6144.9179.5-71171.9000112.2Y19 M24 G44 Q45Y19-L42 HydrophobicContact CD1-CD2 3.55Å; Y19-L42 HydrophobicContact CD1-CG 4.17Å; Y19-L42 HydrophobicContact CE1-CD1 4.19Å; Y19-L42 HydrophobicContact CE1-CD2 3.69Å; Y19-L42 HydrophobicContact CE1-CG 3.76Å; Y19-L42 HydrophobicContact CG-CD2 4.22Å; M24-L42 HydrophobicContact CB-CD2 3.75Å; M24-L42 HydrophobicContact CE-CD1 3.83Å; M24-L42 HydrophobicContact CE-CD2 3.63Å; M24-L42 HydrophobicContact CE-CG 4.37Å; M24-L42 HydrophobicContact CG-CD2 4.35Å; M24-L42 HydrophobicContact SD-CD1 4.46Å; M24-L42 HydrophobicContact SD-CD2 3.73Å; L42-G44 PolarHBondContact O-N 3.31Å; L42-Q45 HydrophobicContact CB-CG 4.17Å; L42-Q45 WeakPolarHBondContact O-CB 3.25Å; L42-Q45 PolarHBondContact O-N 3.42Å
43A94.4Very high89.3Confident25 Ų2547.4 Ų47.421%0.20727%0.269CS..THydrogen-bonded Turntrans-59.1128.4177.400000111S25S25-A43 VanDerWaalsContact O-CB 3.28Å; S25-A43 WeakPolarHBondContact O-CB 3.38Å; S25-A43 PolarHBondContact O-N 3.34Å; S25-A43 VanDerWaalsContact OG-CB 3.29Å; S25-A43 WeakPolarHBondContact OG-CB 3.37Å
44G93Very high88.8Confident40 Ų4046.8 Ų46.841%0.41226%0.256SS..THydrogen-bonded Turntrans87.45.5-174.500000115.2L42 C70L42-G44 PolarHBondContact O-N 3.31Å; G44-C70 WeakPolarHBondContact CA-O 3.37Å; G44-C70 PolarHBondContact N-O 3.02Å
45Q94.5Very high88.3Confident103 Ų10345.2 Ų45.248%0.48125%0.249SC..  trans-110.6163.9175.9-63.2-166.4-17.900113T41 L42 C70T41-Q45 HydrophobicContact CG2-CB 3.8Å; L42-Q45 HydrophobicContact CB-CG 4.17Å; L42-Q45 WeakPolarHBondContact O-CB 3.25Å; L42-Q45 PolarHBondContact O-N 3.42Å; Q45-C70 PolarHBondContact O-N 3.29Å
46F92.8Very high87.5Confident129 Ų12945.5 Ų45.557%0.56626%0.258SS*.EExtended strand (participates in β ladder)trans-101.7130.7174.1-64.9-90.9000110.5R68 E69F46-R68 CarbonylContact C-O 3.59Å; F46-R68 WeakPolarHBondContact CA-O 3.47Å; F46-E69 HydrophobicContact CD1-CB 3.78Å; F46-E69 HydrophobicContact CD1-CG 4.11Å; F46-E69 HydrophobicContact CE1-CB 3.57Å; F46-E69 HydrophobicContact CE1-CG 3.68Å; F46-E69 HydrophobicContact CZ-CB 4.37Å; F46-E69 HydrophobicContact CZ-CG 3.98Å
47A93.5Very high86.1Confident3 Ų350.1 Ų50.13%0.02528%0.284CS..EExtended strand (participates in β ladder)trans-78.8139165.400000109.5W38 P39 T41 F67 R68 W76W38-A47 HydrophobicContact CE3-CB 3.66Å; W38-A47 HydrophobicContact CZ3-CB 3.98Å; P39-A47 HydrophobicContact CG-CB 4.37Å; T41-A47 HydrophobicContact CG2-CB 4.45Å; T41-A47 WeakPolarHBondContact OG1-CB 3.13Å; A47-F67 CarbonylContact O-C 3.51Å; A47-F67 VanDerWaalsContact O-CA 3.29Å; A47-F67 WeakPolarHBondContact O-CA 3.47Å; A47-R68 PolarHBondContact N-O 3.43Å; A47-R68 PolarHBondContact O-N 3.45Å; A47-W76 HydrophobicContact CB-CH2 3.69Å; A47-W76 HydrophobicContact CB-CZ3 3.77Å
48K93.1Very high84.8Confident121 Ų12151.7 Ų51.753%0.52629%0.287SS..EExtended strand (participates in β ladder)trans-122128.5-179.6-178.5-175.9177.8179.50109.6D65 F67K48-D65 WeakPolarHBondContact CE-OD1 3.17Å; K48-D65 WeakPolarHBondContact CE-OD2 3.37Å; K48-D65 HydrophobicContact CG-CB 4.25Å; K48-D65 IonicContact NZ-OD1 2.65Å; K48-D65 IonicContact NZ-OD2 3.61Å; K48-D65 PolarHBondContact NZ-OD2 2.73Å; K48-F67 HydrophobicContact CB-CD1 4.34Å; K48-F67 HydrophobicContact CB-CE1 4.32Å; K48-F67 HydrophobicContact CD-CE1 4.19Å; K48-F67 HydrophobicContact CG-CD1 4.33Å; K48-F67 HydrophobicContact CG-CE1 3.91Å
49L91.7Very high83.7Confident34 Ų3455.8 Ų55.818%0.17831%0.306CS..EExtended strand (participates in β ladder)trans-139.4144.7175-73.8174.4000110.5Q36 C37 W38 S66Q36-L49 HydrophobicContact CG-CD1 4.05Å; C37-L49 VanDerWaalsContact O-CD1 3.26Å; C37-L49 WeakPolarHBondContact O-CD1 2.88Å; W38-L49 HydrophobicContact CD2-CD1 3.98Å; W38-L49 HydrophobicContact CE3-CD1 3.78Å; W38-L49 HydrophobicContact CE3-CG 4.3Å; W38-L49 HydrophobicContact CG-CD1 4.46Å; W38-L49 HydrophobicContact CH2-CD1 4.48Å; W38-L49 HydrophobicContact CZ3-CB 4.4Å; W38-L49 HydrophobicContact CZ3-CD1 4.05Å; W38-L49 HydrophobicContact CZ3-CG 4.25Å; L49-S66 PolarHBondContact N-O 3.46Å; L49-S66 PolarHBondContact O-N 3.07Å; L49-S66 PolarHBondContact O-OG 3.12Å
50P90.5Very high82.9Confident74 Ų7457.4 Ų57.448%0.48131%0.31SS..EExtended strand (participates in β ladder)trans-58.7148.5173.426.5-34.2000110.4Q36Q36-P50 PolarHBondContact NE2-O 2.88Å
51C89.4Confident82.2Confident4 Ų459.3 Ų59.33%0.02732%0.32CS..PPolyproline II helixtrans-59.2138.2177.9-670000110.3S53 D61 D64 D65 C85C51-S53 PolarHBondContact O-N 3.4Å; C51-D61 WeakPolarHBondContact CB-O 3.45Å; C51-D64 HydrophobicContact CB-CB 4.49Å; C51-D64 PolarHBondContact N-O 3.29Å; C51-D64 PolarHBondContact SG-O 2.8Å; C51-D65 VanDerWaalsContact SG-C 3.59Å; C51-C85 HydrophobicContact CB-CB 3.81Å; C51-C85 WeakPolarHBondContact CB-SG 3.12Å; C51-C85 WeakPolarHBondContact SG-CA 3.25Å; C51-C85 WeakPolarHBondContact SG-CB 3.48Å; C51-C85 CovalentContact SG-SG 2.02Å; C51-C85 PolarHBondContact SG-SG 3.02Å
52P85.4Confident81.7Confident25 Ų2564.8 Ų64.816%0.16235%0.345CS..PPolyproline II helixtrans-72.3126.1-175.530.7-36.2000110.2I34 N54 V55 Y60 Y82I34-P52 HydrophobicContact CD1-CG 4.05Å; P52-N54 PolarHBondContact O-N 2.97Å; P52-V55 HydrophobicContact CB-CG2 3.43Å; P52-V55 VanDerWaalsContact CB-CG2 3.43Å; P52-V55 HydrophobicContact CG-CB 4.36Å; P52-V55 HydrophobicContact CG-CG2 3.28Å; P52-Y60 WeakPolarHBondContact O-CD2 3.29Å; P52-Y82 HydrophobicContact CG-CE1 4.4Å
53S77.1Confident81.3Confident46 Ų4669.9 Ų69.932%0.32237%0.372SS..SBendtrans-61.1-40.4-16956.10000114.4C51 H59 Y60 E62C51-S53 PolarHBondContact O-N 3.4Å; S53-H59 WeakPolarHBondContact O-CA 3.32Å; S53-Y60 PolarHBondContact O-N 3.35Å; S53-Y60 VanDerWaalsContact O-N 3.13Å; S53-E62 WeakPolarHBondContact CB-OE1 3.34Å
54N68.1Low80.9Confident104 Ų10470.6 Ų70.656%0.55637%0.373SS*.EExtended strand (participates in β ladder)trans-129.498.3178.8-65.84.9000109.8P52 H59P52-N54 PolarHBondContact O-N 2.97Å; N54-H59 PolarHBondContact OD1-CE1 3.02Å; N54-H59 PolarHBondContact OD1-ND1 3.22Å
55V66Low80.9Confident19 Ų1970.9 Ų70.912%0.11537%0.365CS..EExtended strand (participates in β ladder)trans-122.5115.4170.3176.20000107.6I34 P52 F58 Y60I34-V55 HydrophobicContact CB-CG1 3.83Å; I34-V55 HydrophobicContact CB-CG2 4.29Å; I34-V55 HydrophobicContact CD1-CG1 4.38Å; I34-V55 HydrophobicContact CD1-CG2 4.29Å; I34-V55 HydrophobicContact CG2-CG1 3.46Å; I34-V55 VanDerWaalsContact CG2-CG1 3.46Å; P52-V55 HydrophobicContact CB-CG2 3.43Å; P52-V55 VanDerWaalsContact CB-CG2 3.43Å; P52-V55 HydrophobicContact CG-CB 4.36Å; P52-V55 HydrophobicContact CG-CG2 3.28Å; V55-F58 PolarHBondContact N-O 2.9Å; V55-Y60 HydrophobicContact CB-CD2 4.48Å; V55-Y60 HydrophobicContact CB-CE2 4.08Å
56T64.6Low80.7Confident114 Ų11466 Ų6670%0.69934%0.342SS*.THydrogen-bonded Turntrans61.8-146.9-169.9710000112.2F58T56-F58 PolarHBondContact O-N 2.9Å; T56-F58 WeakPolarHBondContact OG1-CD2 3.41Å
57D56.5Low80.7Confident120 Ų12063.1 Ų63.164%0.64233%0.329SS*.THydrogen-bonded Turntrans-80.711.4177.1-79.6-66.1000113.2K398D57-K398 IonicContact OD1-NZ 2.82Å; D57-K398 PolarHBondContact OD1-NZ 2.97Å
58F64.2Low80.7Confident66 Ų6664.4 Ų64.429%0.28933%0.334SS..EExtended strand (participates in β ladder)trans-111.3138.2-178.9-60.9-72000111.9V55 T56 Y60 I87 P401V55-F58 PolarHBondContact N-O 2.9Å; T56-F58 PolarHBondContact O-N 2.9Å; T56-F58 WeakPolarHBondContact OG1-CD2 3.41Å; F58-Y60 HydrophobicContact CB-CE2 3.89Å; F58-I87 HydrophobicContact CD1-CD1 4.4Å; F58-I87 HydrophobicContact CD1-CG2 4.17Å; F58-P401 HydrophobicContact CE1-CB 3.93Å; F58-P401 HydrophobicContact CE1-CG 3.92Å; F58-P401 HydrophobicContact CZ-CB 3.64Å; F58-P401 HydrophobicContact CZ-CG 4.1Å
59H69Low80.8Confident86 Ų8662.4 Ų62.440%0.39833%0.326SS..EExtended strand (participates in β ladder)trans-96.2124.5169.3-78.1-81.1000109.2S53 N54 I87 I88S53-H59 WeakPolarHBondContact O-CA 3.32Å; N54-H59 PolarHBondContact OD1-CE1 3.02Å; N54-H59 PolarHBondContact OD1-ND1 3.22Å; H59-I87 CarbonylContact O-C 3.58Å; H59-I88 PolarHBondContact O-N 3.39Å; H59-I88 VanDerWaalsContact O-O 3.11Å
60Y75.9Confident80.9Confident54 Ų5460.8 Ų60.821%0.21232%0.318CS..EExtended strand (participates in β ladder)trans-101.9153176-64.5-88.4000110.7P52 S53 V55 F58 E62 C85 T86 I87P52-Y60 WeakPolarHBondContact O-CD2 3.29Å; S53-Y60 PolarHBondContact O-N 3.35Å; S53-Y60 VanDerWaalsContact O-N 3.13Å; V55-Y60 HydrophobicContact CB-CD2 4.48Å; V55-Y60 HydrophobicContact CB-CE2 4.08Å; F58-Y60 HydrophobicContact CB-CE2 3.89Å; Y60-E62 PolarHBondContact O-N 3Å; Y60-C85 HydrophobicContact CD1-CB 3.85Å; Y60-C85 HydrophobicContact CE1-CB 4.42Å; Y60-T86 WeakPolarHBondContact CA-O 3.44Å; Y60-I87 HydrophobicContact CD1-CG1 3.95Å; Y60-I87 HydrophobicContact CE1-CD1 4.38Å; Y60-I87 HydrophobicContact CE1-CG1 3.54Å
61D79.4Confident81.1Confident41 Ų4160.2 Ų60.222%0.21931%0.31CS..PPolyproline II helixtrans-70.3116.9173.6-163.1-18000110.1C51 N63 D64 T86 I88C51-D61 WeakPolarHBondContact CB-O 3.45Å; D61-N63 PolarHBondContact O-N 3.47Å; D61-N63 WeakPolarHBondContact OD1-CB 3.4Å; D61-N63 PolarHBondContact OD1-N 3.16Å; D61-N63 PolarHBondContact OD1-ND2 2.85Å; D61-D64 PolarHBondContact O-N 2.73Å; D61-T86 PolarHBondContact N-O 3.41Å; D61-I88 HydrophobicContact CB-CD1 3.85Å; D61-I88 HydrophobicContact CB-CG1 3.79Å
62E83Confident81.2Confident125 Ų12565.9 Ų65.958%0.58435%0.345SS*.THydrogen-bonded Turntrans-66.4-13.3177.4-66-178.3-165.200112.5S53 Y60 D64S53-E62 WeakPolarHBondContact CB-OE1 3.34Å; Y60-E62 PolarHBondContact O-N 3Å; E62-D64 VanDerWaalsContact C-N 3.33Å
63N84.4Confident81.6Confident134 Ų13470 Ų7072%0.71737%0.365SS*.THydrogen-bonded Turntrans-78.8-17.1175.7-59.9-59.9000113.3D61D61-N63 PolarHBondContact O-N 3.47Å; D61-N63 WeakPolarHBondContact OD1-CB 3.4Å; D61-N63 PolarHBondContact OD1-N 3.16Å; D61-N63 PolarHBondContact OD1-ND2 2.85Å
64D87.6Confident82.2Confident41 Ų4168.5 Ų68.522%0.21936%0.358CS..SBendtrans-86.9159.6175.1-67.6-33.5000110.8C51 D61 E62 A84 T86C51-D64 HydrophobicContact CB-CB 4.49Å; C51-D64 PolarHBondContact N-O 3.29Å; C51-D64 PolarHBondContact SG-O 2.8Å; D61-D64 PolarHBondContact O-N 2.73Å; E62-D64 VanDerWaalsContact C-N 3.33Å; D64-A84 WeakPolarHBondContact CB-O 3.4Å; D64-A84 VanDerWaalsContact CG-O 3.28Å; D64-T86 VanDerWaalsContact OD2-CB 3.25Å; D64-T86 WeakPolarHBondContact OD2-CB 3.18Å; D64-T86 VanDerWaalsContact OD2-CG2 3.31Å; D64-T86 WeakPolarHBondContact OD2-CG2 3.4Å; D64-T86 PolarHBondContact OD2-N 2.92Å; D64-T86 PolarHBondContact OD2-OG1 3.16Å
65D91.5Very high83.4Confident46 Ų4666.5 Ų66.525%0.24635%0.352CS..EExtended strand (participates in β ladder)trans-117.5144.5-175.2-63.8-66.4000112.4K48 C51 F67 A84K48-D65 WeakPolarHBondContact CE-OD1 3.17Å; K48-D65 WeakPolarHBondContact CE-OD2 3.37Å; K48-D65 HydrophobicContact CG-CB 4.25Å; K48-D65 IonicContact NZ-OD1 2.65Å; K48-D65 IonicContact NZ-OD2 3.61Å; K48-D65 PolarHBondContact NZ-OD2 2.73Å; C51-D65 VanDerWaalsContact SG-C 3.59Å; D65-F67 HydrophobicContact CB-CE2 4.11Å; D65-F67 HydrophobicContact CB-CZ 3.88Å; D65-A84 WeakPolarHBondContact O-CB 3.5Å
66S91.6Very high84.6Confident0 Ų067.3 Ų67.30%035%0.353CS..EExtended strand (participates in β ladder)trans-107147.4170.561.90000110.5Q36 L49 D81Q36-S66 PolarHBondContact NE2-OG 2.97Å; L49-S66 PolarHBondContact N-O 3.46Å; L49-S66 PolarHBondContact O-N 3.07Å; L49-S66 PolarHBondContact O-OG 3.12Å; S66-D81 WeakPolarHBondContact CA-O 3.32Å
67F93.3Very high85.9Confident68 Ų6862.6 Ų62.630%0.29833%0.325SS..EExtended strand (participates in β ladder)trans-125.4147.6-174.4-56.6-87.5000111.9A47 K48 D65 A80 D81A47-F67 CarbonylContact O-C 3.51Å; A47-F67 VanDerWaalsContact O-CA 3.29Å; A47-F67 WeakPolarHBondContact O-CA 3.47Å; K48-F67 HydrophobicContact CB-CD1 4.34Å; K48-F67 HydrophobicContact CB-CE1 4.32Å; K48-F67 HydrophobicContact CD-CE1 4.19Å; K48-F67 HydrophobicContact CG-CD1 4.33Å; K48-F67 HydrophobicContact CG-CE1 3.91Å; D65-F67 HydrophobicContact CB-CE2 4.11Å; D65-F67 HydrophobicContact CB-CZ 3.88Å; F67-A80 CarbonylContact O-C 3.59Å; F67-A80 WeakPolarHBondContact O-CA 3.23Å; F67-A80 WeakPolarHBondContact O-CB 3.45Å; F67-D81 HydrophobicContact CB-CB 4.38Å; F67-D81 PolarHBondContact N-O 3.37Å; F67-D81 PolarHBondContact O-N 3.46Å
68R93.2Very high87.4Confident30 Ų3063.5 Ų63.511%0.11333%0.326CS..EExtended strand (participates in β ladder)trans-141.1130.2169.2-165.6179-173.7-176.2-2.4110.6W38 F46 A47 W76 A77 A80W38-R68 HydrophobicContact CD2-CB 3.75Å; W38-R68 HydrophobicContact CD2-CG 4.36Å; W38-R68 HydrophobicContact CE3-CB 3.42Å; W38-R68 VanDerWaalsContact CE3-CB 3.42Å; W38-R68 HydrophobicContact CE3-CG 4.45Å; W38-R68 HydrophobicContact CH2-CB 3.63Å; W38-R68 HydrophobicContact CZ2-CB 3.94Å; W38-R68 HydrophobicContact CZ3-CB 3.36Å; F46-R68 CarbonylContact C-O 3.59Å; F46-R68 WeakPolarHBondContact CA-O 3.47Å; A47-R68 PolarHBondContact N-O 3.43Å; A47-R68 PolarHBondContact O-N 3.45Å; R68-W76 HydrophobicContact CB-CE3 4.27Å; R68-W76 HydrophobicContact CB-CZ3 4.16Å; R68-W76 HydrophobicContact CG-CE3 3.7Å; R68-W76 HydrophobicContact CG-CZ3 4.11Å; R68-A77 PolarHBondContact NE-O 3.06Å; R68-A77 PolarHBondContact NH2-O 3.48Å; R68-A80 HydrophobicContact CB-CB 3.99Å; R68-A80 HydrophobicContact CG-CB 3.99Å
69E93.6Very high88.5Confident80 Ų8066.9 Ų66.937%0.37434%0.341SS..EExtended strand (participates in β ladder)trans-83.1132.2-179.2-169.5177.1-178.700111.2F46 A77F46-E69 HydrophobicContact CD1-CB 3.78Å; F46-E69 HydrophobicContact CD1-CG 4.11Å; F46-E69 HydrophobicContact CE1-CB 3.57Å; F46-E69 HydrophobicContact CE1-CG 3.68Å; F46-E69 HydrophobicContact CZ-CB 4.37Å; F46-E69 HydrophobicContact CZ-CG 3.98Å; E69-A77 HydrophobicContact CB-CB 4.03Å; E69-A77 WeakPolarHBondContact O-CB 3.37Å; E69-A77 PolarHBondContact O-N 3.18Å
70C95.3Very high89.4Confident0 Ų064 Ų640%033%0.331CS..BIsolated β-bridgetrans-92.9112.3164-179.80000108.7C27 T41 G44 Q45 W76C27-C70 HydrophobicContact CB-CB 3.85Å; C27-C70 WeakPolarHBondContact CB-SG 3.37Å; C27-C70 PolarHBondContact N-SG 3.46Å; C27-C70 WeakPolarHBondContact SG-CA 3.19Å; C27-C70 WeakPolarHBondContact SG-CB 3.29Å; C27-C70 CovalentContact SG-SG 2.02Å; C27-C70 PolarHBondContact SG-SG 2.95Å; T41-C70 HydrophobicContact CG2-CB 4.04Å; T41-C70 PolarHBondContact O-SG 3.08Å; G44-C70 WeakPolarHBondContact CA-O 3.37Å; G44-C70 PolarHBondContact N-O 3.02Å; Q45-C70 PolarHBondContact O-N 3.29Å; C70-W76 HydrophobicContact CB-CE3 4.23Å; C70-W76 HydrophobicContact CB-CZ3 4.08Å
71L93.6Very high90.1Very high62 Ų6265.3 Ų65.333%0.32534%0.342SS..  trans-65156.9-177.9-60.6170.4000110.6N73 G74 S75L71-N73 VanDerWaalsContact CB-OD1 3.26Å; L71-N73 WeakPolarHBondContact CB-OD1 3.45Å; L71-N73 PolarHBondContact O-N 2.84Å; L71-G74 PolarHBondContact O-N 3.48Å; L71-S75 VanDerWaalsContact CB-O 3.23Å; L71-S75 WeakPolarHBondContact CB-O 3.08Å; L71-S75 WeakPolarHBondContact CG-O 3.04Å; L71-S75 PolarHBondContact N-O 3.47Å
72T92.6Very high90.5Very high123 Ų12366.6 Ų66.676%0.75534%0.344SS*.THydrogen-bonded Turntrans-62.3-11.8-178.556.40000114.2
73N92.5Very high90.7Very high110 Ų11065.4 Ų65.459%0.58835%0.35SS*.THydrogen-bonded Turntrans-88.31.1174.968.4-3.8000113.6L71 S75L71-N73 VanDerWaalsContact CB-OD1 3.26Å; L71-N73 WeakPolarHBondContact CB-OD1 3.45Å; L71-N73 PolarHBondContact O-N 2.84Å; N73-S75 VanDerWaalsContact OD1-CB 3.3Å; N73-S75 WeakPolarHBondContact OD1-CB 3.38Å; N73-S75 PolarHBondContact OD1-N 3.24Å
74G89.7Confident90.8Very high16 Ų1661 Ų6117%0.16533%0.332CS..SBendtrans80.214.9-176.300000114.5C27 L71C27-G74 PolarHBondContact SG-O 3.09Å; L71-G74 PolarHBondContact O-N 3.48Å
75S93Very high90.7Very high61 Ų6159.9 Ų59.943%0.42733%0.327SS..  trans-109.1144.4174.7-58.30000111.3C27 L71 N73C27-S75 PolarHBondContact SG-O 3.28Å; L71-S75 VanDerWaalsContact CB-O 3.23Å; L71-S75 WeakPolarHBondContact CB-O 3.08Å; L71-S75 WeakPolarHBondContact CG-O 3.04Å; L71-S75 PolarHBondContact N-O 3.47Å; N73-S75 VanDerWaalsContact OD1-CB 3.3Å; N73-S75 WeakPolarHBondContact OD1-CB 3.38Å; N73-S75 PolarHBondContact OD1-N 3.24Å
76W92.6Very high90.3Very high37 Ų3761.2 Ų61.214%0.1434%0.337CS..BIsolated β-bridgetrans-66.3145.9174.7-71.8108.8000111.7C27 H28 T30 W38 P39 T41 A47 R68 C70C27-W76 HydrophobicContact CB-CD2 3.6Å; C27-W76 HydrophobicContact CB-CE3 4.14Å; C27-W76 HydrophobicContact CB-CG 3.97Å; C27-W76 HydrophobicContact CB-CH2 4.19Å; C27-W76 HydrophobicContact CB-CZ2 3.63Å; C27-W76 HydrophobicContact CB-CZ3 4.42Å; C27-W76 PolarHBondContact SG-N 3.3Å; H28-W76 PolarHBondContact O-NE1 3.43Å; T30-W76 HydrophobicContact CG2-CG 4.29Å; W38-W76 HydrophobicContact CB-CH2 4.39Å; W38-W76 HydrophobicContact CB-CZ2 4.19Å; P39-W76 VanDerWaalsContact O-CH2 3.27Å; P39-W76 WeakPolarHBondContact O-CH2 3.44Å; P39-W76 WeakPolarHBondContact O-CZ2 3.37Å; T41-W76 WeakPolarHBondContact OG1-CH2 3.41Å; A47-W76 HydrophobicContact CB-CH2 3.69Å; A47-W76 HydrophobicContact CB-CZ3 3.77Å; R68-W76 HydrophobicContact CB-CE3 4.27Å; R68-W76 HydrophobicContact CB-CZ3 4.16Å; R68-W76 HydrophobicContact CG-CE3 3.7Å; R68-W76 HydrophobicContact CG-CZ3 4.11Å; C70-W76 HydrophobicContact CB-CE3 4.23Å; C70-W76 HydrophobicContact CB-CZ3 4.08Å
77A91.5Very high89.3Confident15 Ų1563.7 Ų63.712%0.12435%0.35CS..  trans-56.2146.1161.800000110.6R68 E69 F79R68-A77 PolarHBondContact NE-O 3.06Å; R68-A77 PolarHBondContact NH2-O 3.48Å; E69-A77 HydrophobicContact CB-CB 4.03Å; E69-A77 WeakPolarHBondContact O-CB 3.37Å; E69-A77 PolarHBondContact O-N 3.18Å; A77-F79 PolarHBondContact O-N 2.78Å
78E88.4Confident88.1Confident138 Ų13864.4 Ų64.465%0.64536%0.356SS*.SBendtrans-59.2-36.7-176.2-169.5177.5-179.200111.8
79F86.1Confident86.5Confident138 Ų13870.4 Ų70.461%0.60538%0.38SS*.SBendtrans-123.4143-179.3-54-72.1000111.4A77A77-F79 PolarHBondContact O-N 2.78Å
80A89.2Confident84.7Confident24 Ų2470.5 Ų70.520%0.19839%0.387CS..  trans-89.1148166.500000109.8W38 F67 R68 Y82W38-A80 HydrophobicContact CH2-CB 4.01Å; W38-A80 HydrophobicContact CZ2-CB 3.4Å; W38-A80 VanDerWaalsContact CZ2-CB 3.4Å; F67-A80 CarbonylContact O-C 3.59Å; F67-A80 WeakPolarHBondContact O-CA 3.23Å; F67-A80 WeakPolarHBondContact O-CB 3.45Å; R68-A80 HydrophobicContact CB-CB 3.99Å; R68-A80 HydrophobicContact CG-CB 3.99Å; A80-Y82 HydrophobicContact CB-CD2 4.43Å; A80-Y82 HydrophobicContact CB-CE2 3.62Å; A80-Y82 WeakPolarHBondContact O-CD2 3.31Å
81D90Very high82.8Confident82 Ų8274 Ų7444%0.43941%0.405SS..BIsolated β-bridgetrans-89.9115.3178.6-171.2-2.3000110.6S66 F67 S83S66-D81 WeakPolarHBondContact CA-O 3.32Å; F67-D81 HydrophobicContact CB-CB 4.38Å; F67-D81 PolarHBondContact N-O 3.37Å; F67-D81 PolarHBondContact O-N 3.46Å; D81-S83 VanDerWaalsContact CG-OG 3.32Å; D81-S83 WeakPolarHBondContact OD1-CB 3.27Å; D81-S83 PolarHBondContact OD1-N 2.87Å; D81-S83 PolarHBondContact OD1-OG 2.92Å; D81-S83 PolarHBondContact OD2-OG 3.31Å
82Y87.4Confident81.5Confident68 Ų6874.2 Ų74.227%0.26741%0.412SS..  trans-110.214.8174.2-62.8-89.7000112N32 I34 Q36 P52 A80 A84 C85N32-Y82 PolarHBondContact ND2-OH 3.11Å; I34-Y82 HydrophobicContact CD1-CE1 3.68Å; I34-Y82 HydrophobicContact CD1-CE2 4.28Å; I34-Y82 VanDerWaalsContact CD1-CZ 3.5Å; I34-Y82 WeakPolarHBondContact CD1-OH 3.41Å; Q36-Y82 PolarHBondContact OE1-OH 2.69Å; P52-Y82 HydrophobicContact CG-CE1 4.4Å; A80-Y82 HydrophobicContact CB-CD2 4.43Å; A80-Y82 HydrophobicContact CB-CE2 3.62Å; A80-Y82 WeakPolarHBondContact O-CD2 3.31Å; Y82-A84 PolarHBondContact O-N 3.28Å; Y82-C85 WeakPolarHBondContact O-CB 3.13Å; Y82-C85 PolarHBondContact O-N 3.24Å
83S87.2Confident80.4Confident100 Ų10070.5 Ų70.570%0.69939%0.388SS*.THydrogen-bonded Turntrans-62-24.2-174.660.70000113.9D81D81-S83 VanDerWaalsContact CG-OG 3.32Å; D81-S83 WeakPolarHBondContact OD1-CB 3.27Å; D81-S83 PolarHBondContact OD1-N 2.87Å; D81-S83 PolarHBondContact OD1-OG 2.92Å; D81-S83 PolarHBondContact OD2-OG 3.31Å
84A86.9Confident79.5Confident43 Ų4371 Ų7136%0.35539%0.386SS..THydrogen-bonded Turntrans-84.4-15.7175.400000113.8D64 D65 Y82 T86D64-A84 WeakPolarHBondContact CB-O 3.4Å; D64-A84 VanDerWaalsContact CG-O 3.28Å; D65-A84 WeakPolarHBondContact O-CB 3.5Å; Y82-A84 PolarHBondContact O-N 3.28Å; A84-T86 PolarHBondContact O-N 3.18Å; A84-T86 VanDerWaalsContact O-N 3.16Å
85C85.6Confident79Confident16 Ų1675.4 Ų75.411%0.10840%0.401CS..  trans-71.9108.9-178.7-61.40000111.2C51 Y60 Y82C51-C85 HydrophobicContact CB-CB 3.81Å; C51-C85 WeakPolarHBondContact CB-SG 3.12Å; C51-C85 WeakPolarHBondContact SG-CA 3.25Å; C51-C85 WeakPolarHBondContact SG-CB 3.48Å; C51-C85 CovalentContact SG-SG 2.02Å; C51-C85 PolarHBondContact SG-SG 3.02Å; Y60-C85 HydrophobicContact CD1-CB 3.85Å; Y60-C85 HydrophobicContact CE1-CB 4.42Å; Y82-C85 WeakPolarHBondContact O-CB 3.13Å; Y82-C85 PolarHBondContact O-N 3.24Å
86T82.3Confident78.5Confident75 Ų7577.4 Ų77.446%0.4640%0.403SS..  trans-82.4138.1174.564.90000111.1Y60 D61 D64 A84 I88Y60-T86 WeakPolarHBondContact CA-O 3.44Å; D61-T86 PolarHBondContact N-O 3.41Å; D64-T86 VanDerWaalsContact OD2-CB 3.25Å; D64-T86 WeakPolarHBondContact OD2-CB 3.18Å; D64-T86 VanDerWaalsContact OD2-CG2 3.31Å; D64-T86 WeakPolarHBondContact OD2-CG2 3.4Å; D64-T86 PolarHBondContact OD2-N 2.92Å; D64-T86 PolarHBondContact OD2-OG1 3.16Å; A84-T86 PolarHBondContact O-N 3.18Å; A84-T86 VanDerWaalsContact O-N 3.16Å; T86-I88 PolarHBondContact O-N 2.87Å
87I70.9Confident78.1Confident52 Ų5276.3 Ų76.327%0.26740%0.4SS..EExtended strand (participates in β ladder)trans-77.7117.2174.1-62.7167.2000107.3F58 H59 Y60 Y89F58-I87 HydrophobicContact CD1-CD1 4.4Å; F58-I87 HydrophobicContact CD1-CG2 4.17Å; H59-I87 CarbonylContact O-C 3.58Å; Y60-I87 HydrophobicContact CD1-CG1 3.95Å; Y60-I87 HydrophobicContact CE1-CD1 4.38Å; Y60-I87 HydrophobicContact CE1-CG1 3.54Å; I87-Y89 HydrophobicContact CB-CE2 4.31Å; I87-Y89 HydrophobicContact CG2-CD1 4.2Å; I87-Y89 HydrophobicContact CG2-CD2 4.38Å; I87-Y89 HydrophobicContact CG2-CE1 4.12Å; I87-Y89 HydrophobicContact CG2-CE2 4.31Å; I87-Y89 HydrophobicContact CG2-CG 4.33Å; I87-Y89 PolarHBondContact O-N 2.98Å
88I68.9Low77.8Confident82 Ų8278 Ų7842%0.42140%0.404SS..EExtended strand (participates in β ladder)trans-72.3111.8162.5-60.8175.7000105.2H59 D61 T86 P90H59-I88 PolarHBondContact O-N 3.39Å; H59-I88 VanDerWaalsContact O-O 3.11Å; D61-I88 HydrophobicContact CB-CD1 3.85Å; D61-I88 HydrophobicContact CB-CG1 3.79Å; T86-I88 PolarHBondContact O-N 2.87Å; I88-P90 WeakPolarHBondContact O-CD 3.21Å
89Y59.3Low77.8Confident156 Ų15674.4 Ų74.461%0.61239%0.389SS*.  trans-80.5101169.2-66.5-83.8000108.3I87 L91I87-Y89 HydrophobicContact CB-CE2 4.31Å; I87-Y89 HydrophobicContact CG2-CD1 4.2Å; I87-Y89 HydrophobicContact CG2-CD2 4.38Å; I87-Y89 HydrophobicContact CG2-CE1 4.12Å; I87-Y89 HydrophobicContact CG2-CE2 4.31Å; I87-Y89 HydrophobicContact CG2-CG 4.33Å; I87-Y89 PolarHBondContact O-N 2.98Å; Y89-L91 PolarHBondContact O-N 2.97Å
90P55.7Low78Confident82 Ų8269.6 Ų69.653%0.53237%0.372SS..THydrogen-bonded Turntrans-65.96.8163.630.7-36.8000112.4I88 S92I88-P90 WeakPolarHBondContact O-CD 3.21Å; P90-S92 PolarHBondContact O-N 3.27Å
91L56.2Low78.1Confident73 Ų7369.2 Ų69.238%0.38237%0.366SS..Hα-helixtrans-58.6-17.9-171.9-161.969.3000114.7Y89 D93 F95Y89-L91 PolarHBondContact O-N 2.97Å; L91-D93 PolarHBondContact O-N 3.48Å; L91-F95 HydrophobicContact CG-CB 4.34Å; L91-F95 WeakPolarHBondContact O-CB 3.32Å; L91-F95 PolarHBondContact O-N 3.39Å
92S65.4Low78.2Confident67 Ų6767.7 Ų67.747%0.46936%0.357SS..Hα-helixtrans-58.4-51.4-176.668.40000111.7P90 F95 F96P90-S92 PolarHBondContact O-N 3.27Å; S92-F95 PolarHBondContact O-N 3.44Å; S92-F96 VanDerWaalsContact C-CD2 3.47Å; S92-F96 WeakPolarHBondContact O-CB 3.5Å; S92-F96 WeakPolarHBondContact O-CD2 3.4Å; S92-F96 VanDerWaalsContact O-CG 3.29Å; S92-F96 WeakPolarHBondContact O-CG 3.4Å; S92-F96 PolarHBondContact O-N 2.86Å
93D69.2Low78.5Confident46 Ų4668.6 Ų68.625%0.24637%0.366CS..Hα-helixtrans-68.1-46.3-175.9-78.5-36000112L91 F95 F96 I97 R549 Y553L91-D93 PolarHBondContact O-N 3.48Å; D93-F95 PolarHBondContact O-N 3.26Å; D93-F96 PolarHBondContact O-N 2.96Å; D93-I97 VanDerWaalsContact O-CG1 3.27Å; D93-I97 WeakPolarHBondContact O-CG1 3.45Å; D93-I97 PolarHBondContact O-N 3.38Å; D93-R549 WeakPolarHBondContact OD2-CD 3.37Å; D93-R549 IonicContact OD2-CZ 2.88Å; D93-R549 IonicContact OD2-NE 2.91Å; D93-R549 PolarHBondContact OD2-NE 2.94Å; D93-R549 IonicContact OD2-NH1 3.35Å; D93-R549 PolarHBondContact OD2-NH1 2.75Å; D93-Y553 WeakPolarHBondContact CA-OH 3.35Å; D93-Y553 PolarHBondContact OD1-OH 3.26Å
94E73.4Confident78.9Confident119 Ų11964 Ų6456%0.55633%0.334SS*.Hα-helixtrans-63.6-40.9177.4-67.5-172.4172.200112.3I97 F98E94-I97 PolarHBondContact O-N 2.97Å; E94-F98 WeakPolarHBondContact O-CB 3.47Å; E94-F98 PolarHBondContact O-N 3.1Å
95F78.9Confident79.3Confident109 Ų10962.3 Ų62.348%0.47832%0.319SS..Hα-helixtrans-66.3-40.5176.1-179.2-100.7000112L91 S92 D93 I97 F98 L99L91-F95 HydrophobicContact CG-CB 4.34Å; L91-F95 WeakPolarHBondContact O-CB 3.32Å; L91-F95 PolarHBondContact O-N 3.39Å; S92-F95 PolarHBondContact O-N 3.44Å; D93-F95 PolarHBondContact O-N 3.26Å; F95-I97 VanDerWaalsContact C-N 3.33Å; F95-I97 PolarHBondContact O-N 3.38Å; F95-F98 PolarHBondContact O-N 3.4Å; F95-L99 WeakPolarHBondContact O-CB 3.35Å; F95-L99 PolarHBondContact O-N 2.67Å
96F84Confident79.9Confident104 Ų10465.3 Ų65.346%0.45633%0.333SS..Hα-helixtrans-63.2-40174.8-77.4-57.6000111.5S92 D93 L99 C100 Y553S92-F96 VanDerWaalsContact C-CD2 3.47Å; S92-F96 WeakPolarHBondContact O-CB 3.5Å; S92-F96 WeakPolarHBondContact O-CD2 3.4Å; S92-F96 VanDerWaalsContact O-CG 3.29Å; S92-F96 WeakPolarHBondContact O-CG 3.4Å; S92-F96 PolarHBondContact O-N 2.86Å; D93-F96 PolarHBondContact O-N 2.96Å; F96-L99 PolarHBondContact O-N 3.27Å; F96-C100 PolarHBondContact O-N 3.46Å; F96-C100 PolarHBondContact O-SG 2.83Å; F96-Y553 HydrophobicContact CB-CE1 3.8Å
97I83.6Confident80.5Confident14 Ų1465.5 Ų65.57%0.07233%0.33CS..Hα-helixtrans-66.6-44.4175.6-63.2164.5000110.7D93 E94 F95 L99 C100 F101 I395 D552 Y553 A556D93-I97 VanDerWaalsContact O-CG1 3.27Å; D93-I97 WeakPolarHBondContact O-CG1 3.45Å; D93-I97 PolarHBondContact O-N 3.38Å; E94-I97 PolarHBondContact O-N 2.97Å; F95-I97 VanDerWaalsContact C-N 3.33Å; F95-I97 PolarHBondContact O-N 3.38Å; I97-L99 VanDerWaalsContact C-N 3.32Å; I97-L99 PolarHBondContact O-N 3Å; I97-C100 WeakPolarHBondContact O-CB 3.23Å; I97-C100 PolarHBondContact O-N 3.19Å; I97-F101 HydrophobicContact CG2-CD2 3.77Å; I97-F101 HydrophobicContact CG2-CE2 3.62Å; I97-F101 VanDerWaalsContact O-CD2 3.3Å; I97-F101 WeakPolarHBondContact O-CD2 3.17Å; I97-F101 PolarHBondContact O-N 3.34Å; I97-I395 HydrophobicContact CB-CD1 4.15Å; I97-I395 HydrophobicContact CD1-CD1 3.87Å; I97-I395 HydrophobicContact CG2-CD1 3.32Å; I97-D552 HydrophobicContact CD1-CB 4.36Å; I97-Y553 HydrophobicContact CD1-CE1 4.45Å; I97-Y553 HydrophobicContact CG1-CD1 3.76Å; I97-Y553 HydrophobicContact CG1-CE1 3.51Å; I97-A556 HydrophobicContact CG2-CB 3.81Å
98F85.6Confident81.7Confident50 Ų5063 Ų6322%0.21932%0.318CS..Hα-helixtrans-56.6-44.5173.9174.7-96.4000112.1E94 F95 F101 L102 W147 A151E94-F98 WeakPolarHBondContact O-CB 3.47Å; E94-F98 PolarHBondContact O-N 3.1Å; F95-F98 PolarHBondContact O-N 3.4Å; F98-F101 PolarHBondContact O-N 3.48Å; F98-L102 HydrophobicContact CE1-CD2 4.49Å; F98-L102 PolarHBondContact O-N 2.89Å; F98-W147 AromaticContact CD2-CH2 3.73Å; F98-W147 HydrophobicContact CD2-CH2 3.73Å; F98-W147 HydrophobicContact CD2-CZ2 4.01Å; F98-W147 AromaticContact CE2-CH2 3.68Å; F98-W147 HydrophobicContact CE2-CH2 3.68Å; F98-W147 HydrophobicContact CE2-CZ2 4.17Å; F98-W147 HydrophobicContact CE2-CZ3 4.48Å; F98-W147 HydrophobicContact CZ-CH2 4.45Å; F98-A151 HydrophobicContact CE2-CB 3.78Å; F98-A151 HydrophobicContact CZ-CB 4.03Å
99L87.9Confident83.1Confident63 Ų6360.8 Ų60.833%0.3331%0.306SS..Hα-helixtrans-64.1-40.7177-175.664.6000111.9F95 F96 I97 F101 L102 I103F95-L99 WeakPolarHBondContact O-CB 3.35Å; F95-L99 PolarHBondContact O-N 2.67Å; F96-L99 PolarHBondContact O-N 3.27Å; I97-L99 VanDerWaalsContact C-N 3.32Å; I97-L99 PolarHBondContact O-N 3Å; L99-F101 VanDerWaalsContact C-N 3.33Å; L99-F101 PolarHBondContact O-N 3.17Å; L99-L102 PolarHBondContact O-N 3.11Å; L99-I103 HydrophobicContact CD1-CD1 3.81Å; L99-I103 HydrophobicContact CD1-CG1 4.08Å; L99-I103 HydrophobicContact CD2-CD1 4.4Å; L99-I103 HydrophobicContact CG-CD1 3.79Å; L99-I103 HydrophobicContact CG-CG1 4.38Å; L99-I103 WeakPolarHBondContact O-CB 3.36Å; L99-I103 WeakPolarHBondContact O-CG1 3.49Å; L99-I103 PolarHBondContact O-N 3.37Å
100C89.8Confident84.9Confident37 Ų3758.7 Ų58.725%0.2530%0.304CS..Hα-helixtrans-57.3-46.3173-73.40000111.3F96 I97 G104 A556 I557 S560F96-C100 PolarHBondContact O-N 3.46Å; F96-C100 PolarHBondContact O-SG 2.83Å; I97-C100 WeakPolarHBondContact O-CB 3.23Å; I97-C100 PolarHBondContact O-N 3.19Å; C100-G104 PolarHBondContact O-N 2.96Å; C100-A556 HydrophobicContact CB-CB 4.41Å; C100-I557 HydrophobicContact CB-CG1 4.47Å; C100-S560 PolarHBondContact O-OG 2.88Å
101F91.5Very high86.9Confident16 Ų1655.1 Ų55.17%0.0728%0.281CS..Hα-helixtrans-62.6-46.6176.3-83.5-69.9000112.5I97 F98 L99 G104 Y105 W147 A556 L559I97-F101 HydrophobicContact CG2-CD2 3.77Å; I97-F101 HydrophobicContact CG2-CE2 3.62Å; I97-F101 VanDerWaalsContact O-CD2 3.3Å; I97-F101 WeakPolarHBondContact O-CD2 3.17Å; I97-F101 PolarHBondContact O-N 3.34Å; F98-F101 PolarHBondContact O-N 3.48Å; L99-F101 VanDerWaalsContact C-N 3.33Å; L99-F101 PolarHBondContact O-N 3.17Å; F101-G104 PolarHBondContact O-N 3.38Å; F101-Y105 HydrophobicContact CB-CD2 4.41Å; F101-Y105 HydrophobicContact CB-CE2 4.39Å; F101-Y105 HydrophobicContact CD1-CD2 4.42Å; F101-Y105 AromaticContact CD1-CE2 3.73Å; F101-Y105 HydrophobicContact CD1-CE2 3.73Å; F101-Y105 HydrophobicContact CG-CE2 4.5Å; F101-Y105 WeakPolarHBondContact O-CB 3.48Å; F101-Y105 VanDerWaalsContact O-CD2 3.26Å; F101-Y105 WeakPolarHBondContact O-CD2 3.5Å; F101-Y105 PolarHBondContact O-N 2.89Å; F101-W147 HydrophobicContact CB-CH2 3.42Å; F101-W147 VanDerWaalsContact CB-CH2 3.42Å; F101-W147 HydrophobicContact CB-CZ2 3.5Å; F101-W147 VanDerWaalsContact CB-CZ2 3.5Å; F101-W147 HydrophobicContact CB-CZ3 4.05Å; F101-W147 HydrophobicContact CG-CH2 4.46Å; F101-W147 HydrophobicContact CG-CZ2 4.08Å; F101-A556 HydrophobicContact CD2-CB 4.03Å; F101-A556 HydrophobicContact CE1-CB 4.42Å; F101-A556 HydrophobicContact CE2-CB 3.54Å; F101-A556 HydrophobicContact CZ-CB 3.77Å; F101-L559 HydrophobicContact CE1-CB 4.27Å; F101-L559 HydrophobicContact CE1-CD2 4.04Å; F101-L559 HydrophobicContact CE1-CG 4.37Å; F101-L559 HydrophobicContact CZ-CD2 4.41Å
102L91.8Very high88.9Confident49 Ų4951.7 Ų51.726%0.25726%0.263SS..Hα-helixtrans-60.4-54-179.3-179.364.6000111.8F98 L99 Y105 I106 W147F98-L102 HydrophobicContact CE1-CD2 4.49Å; F98-L102 PolarHBondContact O-N 2.89Å; L99-L102 PolarHBondContact O-N 3.11Å; L102-Y105 PolarHBondContact O-N 3.39Å; L102-I106 HydrophobicContact CD1-CD1 4.1Å; L102-I106 HydrophobicContact CG-CD1 4.11Å; L102-I106 VanDerWaalsContact O-CG1 3.29Å; L102-I106 WeakPolarHBondContact O-CG1 3.29Å; L102-I106 PolarHBondContact O-N 2.9Å; L102-W147 HydrophobicContact CB-CZ3 4.28Å; L102-W147 HydrophobicContact CD1-CZ3 4.45Å
103I94.8Very high90.4Very high87 Ų8752.7 Ų52.745%0.44626%0.262SS..Hα-helixtrans-62.8-46.1-179.8-65.7173.8000110.1L99 Y105 I106 I107L99-I103 HydrophobicContact CD1-CD1 3.81Å; L99-I103 HydrophobicContact CD1-CG1 4.08Å; L99-I103 HydrophobicContact CD2-CD1 4.4Å; L99-I103 HydrophobicContact CG-CD1 3.79Å; L99-I103 HydrophobicContact CG-CG1 4.38Å; L99-I103 WeakPolarHBondContact O-CB 3.36Å; L99-I103 WeakPolarHBondContact O-CG1 3.49Å; L99-I103 PolarHBondContact O-N 3.37Å; I103-Y105 PolarHBondContact O-N 3Å; I103-I106 PolarHBondContact O-N 3.23Å; I103-I107 HydrophobicContact CG2-CD1 3.84Å; I103-I107 WeakPolarHBondContact O-CG1 3.41Å; I103-I107 PolarHBondContact O-N 3.18Å
104G95Very high91.7Very high3 Ų352.3 Ų52.33%0.03126%0.263CS..Hα-helixtrans-61.2-43.5-179.600000112.5C100 F101 I107 S108 S560C100-G104 PolarHBondContact O-N 2.96Å; F101-G104 PolarHBondContact O-N 3.38Å; G104-I107 PolarHBondContact O-N 2.95Å; G104-S108 VanDerWaalsContact O-CB 3.22Å; G104-S108 WeakPolarHBondContact O-CB 3.26Å; G104-S108 PolarHBondContact O-N 3.26Å; G104-S560 CarbonylContact C-O 3.51Å
105Y95.9Very high92.8Very high8 Ų846.7 Ų46.73%0.03124%0.237CC..Hα-helixtrans-68.6-37.1176.6-75.7-42.1000112.9F101 L102 I103 S108 M109 A144 W147F101-Y105 HydrophobicContact CB-CD2 4.41Å; F101-Y105 HydrophobicContact CB-CE2 4.39Å; F101-Y105 HydrophobicContact CD1-CD2 4.42Å; F101-Y105 AromaticContact CD1-CE2 3.73Å; F101-Y105 HydrophobicContact CD1-CE2 3.73Å; F101-Y105 HydrophobicContact CG-CE2 4.5Å; F101-Y105 WeakPolarHBondContact O-CB 3.48Å; F101-Y105 VanDerWaalsContact O-CD2 3.26Å; F101-Y105 WeakPolarHBondContact O-CD2 3.5Å; F101-Y105 PolarHBondContact O-N 2.89Å; L102-Y105 PolarHBondContact O-N 3.39Å; I103-Y105 PolarHBondContact O-N 3Å; Y105-S108 WeakPolarHBondContact O-CB 3.2Å; Y105-S108 PolarHBondContact O-N 3.41Å; Y105-M109 WeakPolarHBondContact O-CB 3.45Å; Y105-M109 WeakPolarHBondContact O-CG 3.25Å; Y105-M109 PolarHBondContact O-N 3.21Å; Y105-A144 HydrophobicContact CD1-CB 3.61Å; Y105-A144 HydrophobicContact CE1-CB 4.27Å; Y105-A144 HydrophobicContact CG-CB 3.99Å; Y105-W147 HydrophobicContact CD2-CB 4.31Å; Y105-W147 AromaticContact CD2-CD2 3.75Å; Y105-W147 HydrophobicContact CD2-CD2 3.75Å; Y105-W147 AromaticContact CD2-CE3 3.48Å; Y105-W147 HydrophobicContact CD2-CE3 3.48Å; Y105-W147 VanDerWaalsContact CD2-CE3 3.48Å; Y105-W147 HydrophobicContact CD2-CG 4.12Å; Y105-W147 HydrophobicContact CD2-CZ3 4.1Å; Y105-W147 HydrophobicContact CE2-CB 3.96Å; Y105-W147 AromaticContact CE2-CD2 3.58Å; Y105-W147 HydrophobicContact CE2-CD2 3.58Å; Y105-W147 AromaticContact CE2-CE3 3.85Å; Y105-W147 HydrophobicContact CE2-CE3 3.85Å; Y105-W147 AromaticContact CE2-CG 3.63Å; Y105-W147 HydrophobicContact CE2-CG 3.63Å
106I97.2Very high93.7Very high80 Ų8042.8 Ų42.841%0.4122%0.221SC..Hα-helixtrans-60.7-48.1174.3-69.5166.3000111L102 I103 S108 M109 I110 I148L102-I106 HydrophobicContact CD1-CD1 4.1Å; L102-I106 HydrophobicContact CG-CD1 4.11Å; L102-I106 VanDerWaalsContact O-CG1 3.29Å; L102-I106 WeakPolarHBondContact O-CG1 3.29Å; L102-I106 PolarHBondContact O-N 2.9Å; I103-I106 PolarHBondContact O-N 3.23Å; I106-S108 VanDerWaalsContact C-N 3.32Å; I106-S108 PolarHBondContact O-N 3.33Å; I106-M109 PolarHBondContact O-N 3.21Å; I106-I110 HydrophobicContact CG2-CD1 4.03Å; I106-I110 WeakPolarHBondContact O-CG1 3.37Å; I106-I110 PolarHBondContact O-N 3.13Å; I106-I110 VanDerWaalsContact O-N 3.1Å; I106-I148 HydrophobicContact CG1-CD1 4.27Å
107I96.4Very high94.3Very high78 Ų7844.1 Ų44.140%0.423%0.227SC..Hα-helixtrans-60.9-45.3178-65.5169.5000110.3I103 G104 I110 S111 F564I103-I107 HydrophobicContact CG2-CD1 3.84Å; I103-I107 WeakPolarHBondContact O-CG1 3.41Å; I103-I107 PolarHBondContact O-N 3.18Å; G104-I107 PolarHBondContact O-N 2.95Å; I107-I110 PolarHBondContact O-N 2.95Å; I107-S111 WeakPolarHBondContact O-CB 3.47Å; I107-S111 PolarHBondContact O-N 2.96Å; I107-S111 VanDerWaalsContact O-N 3.11Å; I107-S111 PolarHBondContact O-OG 3.08Å; I107-F564 HydrophobicContact CG2-CB 4.09Å; I107-F564 HydrophobicContact CG2-CD2 3.8Å; I107-F564 HydrophobicContact CG2-CG 4.05Å
108S96.3Very high94.8Very high0 Ų044.4 Ų44.40%023%0.228CC..Hα-helixtrans-56.9-51.3175.9-178.40000111.1G104 Y105 I106 I110 S111 V112 S560 G563G104-S108 VanDerWaalsContact O-CB 3.22Å; G104-S108 WeakPolarHBondContact O-CB 3.26Å; G104-S108 PolarHBondContact O-N 3.26Å; Y105-S108 WeakPolarHBondContact O-CB 3.2Å; Y105-S108 PolarHBondContact O-N 3.41Å; I106-S108 VanDerWaalsContact C-N 3.32Å; I106-S108 PolarHBondContact O-N 3.33Å; S108-I110 PolarHBondContact O-N 3.27Å; S108-S111 PolarHBondContact O-N 3.12Å; S108-S111 PolarHBondContact O-OG 3.22Å; S108-V112 WeakPolarHBondContact O-CG1 3.41Å; S108-V112 WeakPolarHBondContact O-CG2 3.47Å; S108-V112 PolarHBondContact O-N 2.88Å; S108-S560 WeakPolarHBondContact CB-O 3.45Å; S108-G563 WeakPolarHBondContact OG-CA 3.26Å; S108-G563 PolarHBondContact OG-N 3.35Å
109M97.3Very high95.3Very high35 Ų3542.1 Ų42.117%0.17222%0.218CC..Hα-helixtrans-54.5-51.1179.2-72.2-76-69.800112.4Y105 I106 S111 V112 I113 L141 A144 I148Y105-M109 WeakPolarHBondContact O-CB 3.45Å; Y105-M109 WeakPolarHBondContact O-CG 3.25Å; Y105-M109 PolarHBondContact O-N 3.21Å; I106-M109 PolarHBondContact O-N 3.21Å; M109-S111 VanDerWaalsContact C-N 3.31Å; M109-S111 PolarHBondContact O-N 2.97Å; M109-V112 WeakPolarHBondContact O-CG2 3.07Å; M109-V112 PolarHBondContact O-N 3.01Å; M109-I113 HydrophobicContact CE-CD1 4.47Å; M109-I113 WeakPolarHBondContact O-CB 3.36Å; M109-I113 WeakPolarHBondContact O-CD1 3.39Å; M109-I113 WeakPolarHBondContact O-CG1 3.41Å; M109-I113 PolarHBondContact O-N 3.09Å; M109-L141 HydrophobicContact CE-CD1 3.29Å; M109-L141 HydrophobicContact SD-CD1 3.24Å; M109-L141 WeakPolarHBondContact SD-CD1 3.43Å; M109-L141 HydrophobicContact SD-CG 4.48Å; M109-A144 HydrophobicContact CG-CB 3.85Å; M109-A144 HydrophobicContact SD-CB 3.55Å; M109-A144 VanDerWaalsContact SD-CB 3.55Å; M109-I148 HydrophobicContact CG-CD1 4.35Å
110I97.9Very high95.5Very high112 Ų11243 Ų4357%0.57422%0.22SC*.Hα-helixtrans-59.5-44.9179.9-65.4167000110.5I106 I107 S108 S114I106-I110 HydrophobicContact CG2-CD1 4.03Å; I106-I110 WeakPolarHBondContact O-CG1 3.37Å; I106-I110 PolarHBondContact O-N 3.13Å; I106-I110 VanDerWaalsContact O-N 3.1Å; I107-I110 PolarHBondContact O-N 2.95Å; S108-I110 PolarHBondContact O-N 3.27Å; I110-S114 PolarHBondContact O-N 3.46Å; I110-S114 PolarHBondContact O-OG 3.15Å
111S97Very high95.7Very high8 Ų847.1 Ų47.16%0.05623%0.232CC..Hα-helixtrans-68.7-39.5-178.672.70000113.4I107 S108 M109 S114 G115 F564 A567I107-S111 WeakPolarHBondContact O-CB 3.47Å; I107-S111 PolarHBondContact O-N 2.96Å; I107-S111 VanDerWaalsContact O-N 3.11Å; I107-S111 PolarHBondContact O-OG 3.08Å; S108-S111 PolarHBondContact O-N 3.12Å; S108-S111 PolarHBondContact O-OG 3.22Å; M109-S111 VanDerWaalsContact C-N 3.31Å; M109-S111 PolarHBondContact O-N 2.97Å; S111-S114 WeakPolarHBondContact CA-OG 3.25Å; S111-S114 PolarHBondContact O-OG 3.04Å; S111-G115 PolarHBondContact O-N 3.42Å; S111-F564 WeakPolarHBondContact OG-CA 3.23Å; S111-A567 WeakPolarHBondContact O-CB 3.46Å
112V97.3Very high95.8Very high0 Ų047.8 Ų47.80%024%0.235CC..Hα-helixtrans-74.9-37.6179.4-61.40000111.5S108 M109 S114 G115 I116 M137 I140 L141 G563 A567S108-V112 WeakPolarHBondContact O-CG1 3.41Å; S108-V112 WeakPolarHBondContact O-CG2 3.47Å; S108-V112 PolarHBondContact O-N 2.88Å; M109-V112 WeakPolarHBondContact O-CG2 3.07Å; M109-V112 PolarHBondContact O-N 3.01Å; V112-S114 VanDerWaalsContact C-N 3.34Å; V112-S114 PolarHBondContact O-N 3.39Å; V112-G115 PolarHBondContact O-N 3.01Å; V112-I116 WeakPolarHBondContact O-CB 3.33Å; V112-I116 WeakPolarHBondContact O-CD1 3.27Å; V112-I116 WeakPolarHBondContact O-CG1 3.4Å; V112-I116 PolarHBondContact O-N 2.96Å; V112-M137 HydrophobicContact CB-CB 4.27Å; V112-M137 HydrophobicContact CG1-CG 4.44Å; V112-I140 HydrophobicContact CG1-CG2 4.4Å; V112-L141 HydrophobicContact CG2-CB 3.99Å; V112-L141 HydrophobicContact CG2-CD1 4.33Å; V112-G563 WeakPolarHBondContact CG1-O 3.46Å; V112-A567 HydrophobicContact CG1-CB 4.49Å
113I98Very high95.7Very high89 Ų8956.1 Ų56.146%0.45626%0.263SS..Hα-helixtrans-60.4-46.8176.2-71.4167000110.3M109 I116 F117 L141M109-I113 HydrophobicContact CE-CD1 4.47Å; M109-I113 WeakPolarHBondContact O-CB 3.36Å; M109-I113 WeakPolarHBondContact O-CD1 3.39Å; M109-I113 WeakPolarHBondContact O-CG1 3.41Å; M109-I113 PolarHBondContact O-N 3.09Å; I113-I116 PolarHBondContact O-N 3.25Å; I113-F117 WeakPolarHBondContact O-CB 3.19Å; I113-F117 PolarHBondContact O-N 3.07Å; I113-L141 HydrophobicContact CD1-CD1 4.23Å; I113-L141 HydrophobicContact CG1-CD1 4.01Å; I113-L141 HydrophobicContact CG1-CD2 4.27Å
114S96.8Very high95.5Very high38 Ų3855.7 Ų55.727%0.26627%0.267SS..Hα-helixtrans-65.6-38.6176.447.30000112.4I110 S111 V112 F117 I118 F572I110-S114 PolarHBondContact O-N 3.46Å; I110-S114 PolarHBondContact O-OG 3.15Å; S111-S114 WeakPolarHBondContact CA-OG 3.25Å; S111-S114 PolarHBondContact O-OG 3.04Å; V112-S114 VanDerWaalsContact C-N 3.34Å; V112-S114 PolarHBondContact O-N 3.39Å; S114-F117 PolarHBondContact O-N 2.89Å; S114-I118 WeakPolarHBondContact O-CD1 3.36Å; S114-I118 VanDerWaalsContact O-CG1 3.25Å; S114-I118 WeakPolarHBondContact O-CG1 3.5Å; S114-I118 PolarHBondContact O-N 3.45Å; S114-F572 WeakPolarHBondContact OG-CZ 3.45Å
115G96.2Very high95.3Very high0 Ų055.5 Ų55.50%027%0.266CS..Hα-helixtrans-61.1-48.5173.200000113.7S111 V112 F117 I118 F119S111-G115 PolarHBondContact O-N 3.42Å; V112-G115 PolarHBondContact O-N 3.01Å; G115-F117 VanDerWaalsContact C-N 3.34Å; G115-F117 PolarHBondContact O-N 3.19Å; G115-I118 PolarHBondContact O-N 3.42Å; G115-F119 PolarHBondContact O-N 2.93Å; G115-F119 VanDerWaalsContact O-N 3.09Å
116I96.9Very high95Very high27 Ų2760.9 Ų60.914%0.13829%0.289CS..Hα-helixtrans-59.2-47176-67.4163.3000109.9V112 I113 I118 F119 Q120 T134 M137 I138 L141V112-I116 WeakPolarHBondContact O-CB 3.33Å; V112-I116 WeakPolarHBondContact O-CD1 3.27Å; V112-I116 WeakPolarHBondContact O-CG1 3.4Å; V112-I116 PolarHBondContact O-N 2.96Å; I113-I116 PolarHBondContact O-N 3.25Å; I116-I118 PolarHBondContact O-N 2.8Å; I116-F119 PolarHBondContact O-N 3.38Å; I116-Q120 HydrophobicContact CG2-CG 4.21Å; I116-Q120 WeakPolarHBondContact O-CB 3.49Å; I116-Q120 VanDerWaalsContact O-CG 3.29Å; I116-Q120 WeakPolarHBondContact O-CG 3.47Å; I116-Q120 PolarHBondContact O-N 2.9Å; I116-T134 HydrophobicContact CG1-CG2 4.29Å; I116-T134 HydrophobicContact CG2-CG2 4.13Å; I116-M137 HydrophobicContact CD1-CB 3.92Å; I116-M137 HydrophobicContact CG1-CB 3.69Å; I116-M137 HydrophobicContact CG1-SD 4.31Å; I116-I138 HydrophobicContact CD1-CG1 3.88Å; I116-I138 HydrophobicContact CG1-CG1 4.45Å; I116-L141 HydrophobicContact CD1-CD2 3.84Å
117F96.2Very high94.6Very high133 Ų13359.6 Ų59.658%0.58329%0.287SS*.Hα-helixtrans-57.6-47178.4179-98.9000111.8I113 S114 G115 Q120 Y121I113-F117 WeakPolarHBondContact O-CB 3.19Å; I113-F117 PolarHBondContact O-N 3.07Å; S114-F117 PolarHBondContact O-N 2.89Å; G115-F117 VanDerWaalsContact C-N 3.34Å; G115-F117 PolarHBondContact O-N 3.19Å; F117-Q120 PolarHBondContact O-N 3.49Å; F117-Y121 HydrophobicContact CZ-CD2 4.13Å; F117-Y121 HydrophobicContact CZ-CG 4.48Å; F117-Y121 WeakPolarHBondContact O-CB 3.29Å; F117-Y121 PolarHBondContact O-N 3.2Å
118I95.6Very high94.3Very high19 Ų1959.6 Ų59.610%0.09729%0.29CS..Hα-helixtrans-61-48.3179.3-69.6164000111.2S114 G115 I116 Q120 F122 L125 F572 V577 L581S114-I118 WeakPolarHBondContact O-CD1 3.36Å; S114-I118 VanDerWaalsContact O-CG1 3.25Å; S114-I118 WeakPolarHBondContact O-CG1 3.5Å; S114-I118 PolarHBondContact O-N 3.45Å; G115-I118 PolarHBondContact O-N 3.42Å; I116-I118 PolarHBondContact O-N 2.8Å; I118-Q120 VanDerWaalsContact C-N 3.35Å; I118-Q120 PolarHBondContact O-N 3.2Å; I118-F122 HydrophobicContact CG2-CD2 4.2Å; I118-F122 WeakPolarHBondContact O-CD2 3.05Å; I118-F122 PolarHBondContact O-N 3.37Å; I118-L125 HydrophobicContact CG2-CD1 4.02Å; I118-F572 HydrophobicContact CD1-CD1 4.41Å; I118-F572 HydrophobicContact CD1-CE1 3.82Å; I118-V577 HydrophobicContact CG2-CG1 3.66Å; I118-L581 HydrophobicContact CD1-CD1 4.5Å
119F94.9Very high94Very high3 Ų365.2 Ų65.21%0.01331%0.311CS..Hα-helixtrans-66.3-35.6-179.1-68.5-31.5000113.2G115 I116 L125 N130 H133 T134 M137 Y570 C571 V577G115-F119 PolarHBondContact O-N 2.93Å; G115-F119 VanDerWaalsContact O-N 3.09Å; I116-F119 PolarHBondContact O-N 3.38Å; F119-L125 HydrophobicContact CD1-CB 4.45Å; F119-L125 HydrophobicContact CD1-CD1 4.41Å; F119-N130 HydrophobicContact CD1-CB 4.31Å; F119-N130 HydrophobicContact CE1-CB 4.47Å; F119-N130 HydrophobicContact CG-CB 4.42Å; F119-H133 HydrophobicContact CE2-CB 4.27Å; F119-T134 WeakPolarHBondContact CD2-OG1 3.33Å; F119-M137 HydrophobicContact CD2-SD 4.25Å; F119-M137 HydrophobicContact CE2-CE 3.7Å; F119-M137 HydrophobicContact CE2-SD 4.02Å; F119-Y570 WeakPolarHBondContact CZ-O 3.5Å; F119-C571 HydrophobicContact CE1-CB 4.3Å; F119-C571 HydrophobicContact CE2-CB 4.29Å; F119-C571 HydrophobicContact CZ-CB 3.81Å; F119-V577 HydrophobicContact CE1-CG2 3.84Å
120Q93.1Very high93.8Very high80 Ų8063.8 Ų63.837%0.37430%0.304SS..Hα-helixtrans-80.9-31.8-179.5-65-61-10.300113.5I116 F117 I118 K126 T134I116-Q120 HydrophobicContact CG2-CG 4.21Å; I116-Q120 WeakPolarHBondContact O-CB 3.49Å; I116-Q120 VanDerWaalsContact O-CG 3.29Å; I116-Q120 WeakPolarHBondContact O-CG 3.47Å; I116-Q120 PolarHBondContact O-N 2.9Å; F117-Q120 PolarHBondContact O-N 3.49Å; I118-Q120 VanDerWaalsContact C-N 3.35Å; I118-Q120 PolarHBondContact O-N 3.2Å; Q120-K126 WeakPolarHBondContact O-CE 3.5Å; Q120-K126 PolarHBondContact O-NZ 3.24Å; Q120-T134 HydrophobicContact CG-CG2 4.4Å; Q120-T134 VanDerWaalsContact NE2-CG2 3.32Å
121Y93.7Very high93.5Very high125 Ų12560.6 Ų60.649%0.4929%0.289SS..Hα-helixtrans-70.6-48.4179.4-178.1-94.1000112F117 R123F117-Y121 HydrophobicContact CZ-CD2 4.13Å; F117-Y121 HydrophobicContact CZ-CG 4.48Å; F117-Y121 WeakPolarHBondContact O-CB 3.29Å; F117-Y121 PolarHBondContact O-N 3.2Å; Y121-R123 PolarHBondContact O-N 3.32Å
122F93.5Very high93.3Very high30 Ų3060.3 Ų60.313%0.13229%0.286CS..  trans-86.1106.7-176.3-67.9-75.9000111.7I118 S124 L125 V580 L581 R584I118-F122 HydrophobicContact CG2-CD2 4.2Å; I118-F122 WeakPolarHBondContact O-CD2 3.05Å; I118-F122 PolarHBondContact O-N 3.37Å; F122-S124 PolarHBondContact O-N 3.09Å; F122-S124 VanDerWaalsContact O-N 3.09Å; F122-L125 HydrophobicContact CB-CB 4.28Å; F122-L125 HydrophobicContact CB-CD1 3.86Å; F122-L125 HydrophobicContact CB-CG 3.94Å; F122-L125 HydrophobicContact CD2-CD1 4.2Å; F122-L125 HydrophobicContact CG-CD1 4.33Å; F122-L125 PolarHBondContact O-N 3.28Å; F122-V580 HydrophobicContact CB-CG1 4.31Å; F122-V580 HydrophobicContact CD1-CG1 3.62Å; F122-V580 HydrophobicContact CD2-CG1 4.44Å; F122-V580 HydrophobicContact CE1-CG1 4.02Å; F122-V580 HydrophobicContact CG-CG1 3.87Å; F122-L581 HydrophobicContact CE2-CD2 3.57Å; F122-L581 HydrophobicContact CZ-CD2 3.87Å; F122-R584 HydrophobicContact CE1-CB 4.13Å; F122-R584 HydrophobicContact CE1-CG 4.03Å; F122-R584 HydrophobicContact CZ-CB 4.34Å; F122-R584 HydrophobicContact CZ-CG 4.22Å
123R90.8Very high93.1Very high223 Ų22360.9 Ų60.984%0.84229%0.289SS*.G310 helixtrans-52.7-34175.9-172.6175.9-179.3168.20.9113.4Y121 L125 K126Y121-R123 PolarHBondContact O-N 3.32Å; R123-L125 PolarHBondContact O-N 2.89Å; R123-K126 PolarHBondContact O-N 2.84Å
124S90.2Very high92.9Very high78 Ų7856.8 Ų56.855%0.54527%0.268SS..G310 helixtrans-65.5-21.8177.8600000113.8F122F122-S124 PolarHBondContact O-N 3.09Å; F122-S124 VanDerWaalsContact O-N 3.09Å
125L90.7Very high92.9Very high0 Ų056.6 Ų56.60%026%0.263CS..G310 helixtrans-94-1.6-179.8-61.6178.5000112.7I118 F119 F122 R123 C127 N130 E576 V577 V580I118-L125 HydrophobicContact CG2-CD1 4.02Å; F119-L125 HydrophobicContact CD1-CB 4.45Å; F119-L125 HydrophobicContact CD1-CD1 4.41Å; F122-L125 HydrophobicContact CB-CB 4.28Å; F122-L125 HydrophobicContact CB-CD1 3.86Å; F122-L125 HydrophobicContact CB-CG 3.94Å; F122-L125 HydrophobicContact CD2-CD1 4.2Å; F122-L125 HydrophobicContact CG-CD1 4.33Å; F122-L125 PolarHBondContact O-N 3.28Å; R123-L125 PolarHBondContact O-N 2.89Å; L125-C127 PolarHBondContact O-N 3.42Å; L125-N130 WeakPolarHBondContact O-CB 3.35Å; L125-N130 PolarHBondContact O-ND2 3.19Å; L125-E576 HydrophobicContact CD2-CG 4.23Å; L125-V577 HydrophobicContact CD1-CB 4.47Å; L125-V577 HydrophobicContact CD1-CG1 4.21Å; L125-V577 HydrophobicContact CD1-CG2 4.11Å; L125-V577 HydrophobicContact CD2-CG2 4.22Å; L125-V580 HydrophobicContact CD2-CG2 4.04Å; L125-V580 HydrophobicContact CG-CG2 4.49Å
126K89.6Confident92.8Very high120 Ų12056.8 Ų56.852%0.52226%0.264SS..  trans-79.157.3-178.9-63.1-172179.2-168.30112.9Q120 R123Q120-K126 WeakPolarHBondContact O-CE 3.5Å; Q120-K126 PolarHBondContact O-NZ 3.24Å; R123-K126 PolarHBondContact O-N 2.84Å
127C89.2Confident92.8Very high53 Ų5355.5 Ų55.536%0.35826%0.257SS..  trans-89.8162.1172.171.30000111.1L125 R129 N130 N131L125-C127 PolarHBondContact O-N 3.42Å; C127-R129 PolarHBondContact O-N 3.4Å; C127-N130 PolarHBondContact O-N 3.01Å; C127-N130 PolarHBondContact SG-N 3.24Å; C127-N130 VanDerWaalsContact SG-N 3.37Å; C127-N130 PolarHBondContact SG-ND2 3.36Å; C127-N131 PolarHBondContact O-N 3.33Å
128V89.4Confident92.9Very high78 Ų7852 Ų5247%0.47324%0.244SC..Hα-helixtrans-54.9-41.5-179.7176.80000111.8N131 I132 F205V128-N131 WeakPolarHBondContact O-CB 3.16Å; V128-N131 PolarHBondContact O-N 3.36Å; V128-I132 HydrophobicContact CG1-CD1 4.2Å; V128-I132 WeakPolarHBondContact O-CG1 3.42Å; V128-I132 PolarHBondContact O-N 3.36Å; V128-F205 HydrophobicContact CG1-CD2 4.33Å
129R89.6Confident92.9Very high119 Ų11951.1 Ų51.145%0.44924%0.239SC..Hα-helixtrans-60-52.2177178.5-170.8-60.3155.10.1112C127 N131 I132 H133C127-R129 PolarHBondContact O-N 3.4Å; R129-N131 PolarHBondContact O-N 3.23Å; R129-I132 WeakPolarHBondContact O-CB 3.36Å; R129-I132 PolarHBondContact O-N 3.01Å; R129-I132 VanDerWaalsContact O-N 3.12Å; R129-H133 WeakPolarHBondContact CG-NE2 3.24Å; R129-H133 PolarHBondContact O-CD2 3.38Å; R129-H133 VanDerWaalsContact O-CD2 3.23Å; R129-H133 PolarHBondContact O-N 2.96Å
130N92.5Very high92.9Very high4 Ų451 Ų512%0.02124%0.239CC..Hα-helixtrans-66.8-27-179.9-67.1-4.9000111.5F119 L125 C127 T134F119-N130 HydrophobicContact CD1-CB 4.31Å; F119-N130 HydrophobicContact CE1-CB 4.47Å; F119-N130 HydrophobicContact CG-CB 4.42Å; L125-N130 WeakPolarHBondContact O-CB 3.35Å; L125-N130 PolarHBondContact O-ND2 3.19Å; C127-N130 PolarHBondContact O-N 3.01Å; C127-N130 PolarHBondContact SG-N 3.24Å; C127-N130 VanDerWaalsContact SG-N 3.37Å; C127-N130 PolarHBondContact SG-ND2 3.36Å; N130-T134 WeakPolarHBondContact O-CB 3.45Å; N130-T134 PolarHBondContact O-N 3.47Å; N130-T134 PolarHBondContact O-OG1 3.34Å
131N92.3Very high93.1Very high46 Ų4649.1 Ų49.125%0.24623%0.231CC..Hα-helixtrans-67.5-45171.1-15631.9000111.6C127 V128 R129 H133 T134 H135 F205C127-N131 PolarHBondContact O-N 3.33Å; V128-N131 WeakPolarHBondContact O-CB 3.16Å; V128-N131 PolarHBondContact O-N 3.36Å; R129-N131 PolarHBondContact O-N 3.23Å; N131-H133 PolarHBondContact O-N 3.42Å; N131-T134 WeakPolarHBondContact O-CB 3.38Å; N131-T134 PolarHBondContact O-N 3.45Å; N131-T134 VanDerWaalsContact O-N 3.13Å; N131-H135 PolarHBondContact O-CD2 3.06Å; N131-H135 VanDerWaalsContact O-CD2 3.27Å; N131-H135 PolarHBondContact O-N 3.46Å; N131-F205 HydrophobicContact CB-CD2 4.47Å; N131-F205 HydrophobicContact CB-CE2 4.11Å; N131-F205 HydrophobicContact CB-CZ 4.45Å; N131-F205 WeakPolarHBondContact ND2-CD1 3.22Å; N131-F205 WeakPolarHBondContact ND2-CE1 3.42Å; N131-F205 WeakPolarHBondContact ND2-CE2 3.49Å; N131-F205 WeakPolarHBondContact ND2-CZ 3.27Å
132I93.1Very high93.3Very high1 Ų145.3 Ų45.31%0.00522%0.219CC..Hα-helixtrans-57.3-48.5173.3-67.2166.9000110.5V128 R129 T134 H135 L136 W182 I185 E186 H189 F205V128-I132 HydrophobicContact CG1-CD1 4.2Å; V128-I132 WeakPolarHBondContact O-CG1 3.42Å; V128-I132 PolarHBondContact O-N 3.36Å; R129-I132 WeakPolarHBondContact O-CB 3.36Å; R129-I132 PolarHBondContact O-N 3.01Å; R129-I132 VanDerWaalsContact O-N 3.12Å; I132-T134 VanDerWaalsContact C-N 3.29Å; I132-T134 PolarHBondContact O-N 3.3Å; I132-H135 PolarHBondContact O-N 3.31Å; I132-L136 PolarHBondContact O-N 3.48Å; I132-W182 HydrophobicContact CG2-CE3 4.3Å; I132-W182 HydrophobicContact CG2-CZ3 4.33Å; I132-I185 HydrophobicContact CG2-CG2 4.36Å; I132-E186 HydrophobicContact CG2-CB 4.31Å; I132-H189 HydrophobicContact CD1-CB 3.87Å; I132-H189 VanDerWaalsContact CD1-CG 3.45Å; I132-F205 HydrophobicContact CG1-CD2 4.3Å; I132-F205 HydrophobicContact CG1-CE2 3.97Å
133H93.1Very high93.3Very high13 Ų1344.1 Ų44.16%0.0621%0.214CC..Hα-helixtrans-61.7-36.2176.3-62.1-47.3000112.5F119 R129 N131 L136 M137 E186 Y570F119-H133 HydrophobicContact CE2-CB 4.27Å; R129-H133 WeakPolarHBondContact CG-NE2 3.24Å; R129-H133 PolarHBondContact O-CD2 3.38Å; R129-H133 VanDerWaalsContact O-CD2 3.23Å; R129-H133 PolarHBondContact O-N 2.96Å; N131-H133 PolarHBondContact O-N 3.42Å; H133-L136 PolarHBondContact O-N 3.06Å; H133-M137 WeakPolarHBondContact O-CB 3.36Å; H133-M137 VanDerWaalsContact O-CG 3.23Å; H133-M137 WeakPolarHBondContact O-CG 3.33Å; H133-M137 PolarHBondContact O-N 3.14Å; H133-E186 VanDerWaalsContact CE1-CD 3.41Å; H133-E186 IonicContact CE1-OE1 3.21Å; H133-E186 PolarHBondContact CE1-OE1 3.47Å; H133-E186 IonicContact CE1-OE2 3.41Å; H133-E186 PolarHBondContact CE1-OE2 3.3Å; H133-E186 IonicContact ND1-OE1 3.52Å; H133-E186 IonicContact ND1-OE2 2.9Å; H133-E186 PolarHBondContact ND1-OE2 3.07Å; H133-Y570 AromaticContact CE1-CD1 3.91Å; H133-Y570 AromaticContact CE1-CD2 3.84Å; H133-Y570 AromaticContact CE1-CE1 3.92Å; H133-Y570 AromaticContact CE1-CE2 3.82Å; H133-Y570 AromaticContact CE1-CG 3.89Å; H133-Y570 AromaticContact CE1-CZ 3.87Å; H133-Y570 AromaticContact ND1-CD2 3.54Å; H133-Y570 AromaticContact ND1-CE2 3.66Å; H133-Y570 AromaticContact ND1-CG 3.94Å
134T94.7Very high93.6Very high2 Ų233.5 Ų33.51%0.01217%0.174CC..Hα-helixtrans-64.6-42.8175.8-58.20000111I116 F119 Q120 N130 N131 I132 M137 I138I116-T134 HydrophobicContact CG1-CG2 4.29Å; I116-T134 HydrophobicContact CG2-CG2 4.13Å; F119-T134 WeakPolarHBondContact CD2-OG1 3.33Å; Q120-T134 HydrophobicContact CG-CG2 4.4Å; Q120-T134 VanDerWaalsContact NE2-CG2 3.32Å; N130-T134 WeakPolarHBondContact O-CB 3.45Å; N130-T134 PolarHBondContact O-N 3.47Å; N130-T134 PolarHBondContact O-OG1 3.34Å; N131-T134 WeakPolarHBondContact O-CB 3.38Å; N131-T134 PolarHBondContact O-N 3.45Å; N131-T134 VanDerWaalsContact O-N 3.13Å; I132-T134 VanDerWaalsContact C-N 3.29Å; I132-T134 PolarHBondContact O-N 3.3Å; T134-M137 WeakPolarHBondContact O-CB 3.4Å; T134-M137 PolarHBondContact O-N 3.02Å; T134-I138 HydrophobicContact CG2-CD1 3.97Å; T134-I138 HydrophobicContact CG2-CG1 4.48Å; T134-I138 VanDerWaalsContact O-CG1 3.26Å; T134-I138 WeakPolarHBondContact O-CG1 3.41Å; T134-I138 PolarHBondContact O-N 2.8Å
135H96Very high93.8Very high35 Ų3531.5 Ų31.516%0.16216%0.16CC..Hα-helixtrans-66.6-37.5175.8-81.7-85.1000112.8N131 I132 I138 A139 W182 F205 W213N131-H135 PolarHBondContact O-CD2 3.06Å; N131-H135 VanDerWaalsContact O-CD2 3.27Å; N131-H135 PolarHBondContact O-N 3.46Å; I132-H135 PolarHBondContact O-N 3.31Å; H135-I138 PolarHBondContact O-N 3.41Å; H135-A139 PolarHBondContact O-N 3.46Å; H135-W182 HydrophobicContact CB-CD2 3.78Å; H135-W182 HydrophobicContact CB-CE3 3.71Å; H135-W182 HydrophobicContact CB-CH2 3.49Å; H135-W182 VanDerWaalsContact CB-CH2 3.49Å; H135-W182 HydrophobicContact CB-CZ2 3.57Å; H135-W182 HydrophobicContact CB-CZ3 3.56Å; H135-W182 AromaticContact CG-CH2 3.69Å; H135-W182 AromaticContact CG-CZ2 3.8Å; H135-W182 AromaticContact ND1-CZ2 3.89Å; H135-F205 AromaticContact CD2-CZ 3.37Å; H135-F205 WeakPolarHBondContact CD2-CZ 3.36Å; H135-F205 AromaticContact NE2-CE1 3.75Å; H135-F205 AromaticContact NE2-CZ 3.43Å; H135-F205 WeakPolarHBondContact NE2-CZ 3.41Å; H135-W213 AromaticContact CE1-NE1 3.85Å; H135-W213 AromaticContact ND1-CE2 3.87Å; H135-W213 AromaticContact ND1-CZ2 3.91Å; H135-W213 AromaticContact ND1-NE1 3.22Å; H135-W213 PolarHBondContact ND1-NE1 2.93Å
136L94.9Very high93.9Very high3 Ų331.6 Ų31.62%0.01616%0.161CC..Hα-helixtrans-60-45.1170.2177.362.6000111.5I132 H133 I138 A139 I140 W182 M183 E186 V566I132-L136 PolarHBondContact O-N 3.48Å; H133-L136 PolarHBondContact O-N 3.06Å; L136-I138 VanDerWaalsContact C-N 3.33Å; L136-I138 PolarHBondContact O-N 3.02Å; L136-A139 PolarHBondContact O-N 3.01Å; L136-I140 HydrophobicContact CD1-CD1 4.26Å; L136-I140 HydrophobicContact CG-CD1 4.14Å; L136-I140 WeakPolarHBondContact O-CG1 3.24Å; L136-I140 PolarHBondContact O-N 3.19Å; L136-W182 HydrophobicContact CB-CB 4.15Å; L136-W182 HydrophobicContact CD1-CB 3.75Å; L136-M183 HydrophobicContact CD1-CG 3.79Å; L136-E186 WeakPolarHBondContact CD2-OE2 3.45Å; L136-V566 HydrophobicContact CD2-CG1 4.13Å
137M96.5Very high94.1Very high0 Ų026.6 Ų26.60%014%0.139CC..Hα-helixtrans-62.4-38.4175.7-71.2172.3-174.100112.3V112 I116 F119 H133 T134 I140 L141 V566 A567 C571V112-M137 HydrophobicContact CB-CB 4.27Å; V112-M137 HydrophobicContact CG1-CG 4.44Å; I116-M137 HydrophobicContact CD1-CB 3.92Å; I116-M137 HydrophobicContact CG1-CB 3.69Å; I116-M137 HydrophobicContact CG1-SD 4.31Å; F119-M137 HydrophobicContact CD2-SD 4.25Å; F119-M137 HydrophobicContact CE2-CE 3.7Å; F119-M137 HydrophobicContact CE2-SD 4.02Å; H133-M137 WeakPolarHBondContact O-CB 3.36Å; H133-M137 VanDerWaalsContact O-CG 3.23Å; H133-M137 WeakPolarHBondContact O-CG 3.33Å; H133-M137 PolarHBondContact O-N 3.14Å; T134-M137 WeakPolarHBondContact O-CB 3.4Å; T134-M137 PolarHBondContact O-N 3.02Å; M137-I140 PolarHBondContact O-N 2.56Å; M137-L141 VanDerWaalsContact O-CB 3.24Å; M137-L141 WeakPolarHBondContact O-CB 3.26Å; M137-L141 PolarHBondContact O-N 2.98Å; M137-V566 HydrophobicContact CE-CG1 4.14Å; M137-V566 HydrophobicContact CG-CG1 4.21Å; M137-A567 HydrophobicContact CE-CB 4.46Å; M137-C571 HydrophobicContact CE-CB 4.48Å
138I96.9Very high94.2Very high60 Ų6026.2 Ų26.231%0.30813%0.132SC..Hα-helixtrans-65.1-41.4175.2-69.1163.9000110.9I116 T134 H135 L136 L141 L142 W213I116-I138 HydrophobicContact CD1-CG1 3.88Å; I116-I138 HydrophobicContact CG1-CG1 4.45Å; T134-I138 HydrophobicContact CG2-CD1 3.97Å; T134-I138 HydrophobicContact CG2-CG1 4.48Å; T134-I138 VanDerWaalsContact O-CG1 3.26Å; T134-I138 WeakPolarHBondContact O-CG1 3.41Å; T134-I138 PolarHBondContact O-N 2.8Å; H135-I138 PolarHBondContact O-N 3.41Å; L136-I138 VanDerWaalsContact C-N 3.33Å; L136-I138 PolarHBondContact O-N 3.02Å; I138-L141 WeakPolarHBondContact O-CB 3.39Å; I138-L141 PolarHBondContact O-N 3.32Å; I138-L142 WeakPolarHBondContact O-CB 3.36Å; I138-L142 PolarHBondContact O-N 3.34Å; I138-W213 HydrophobicContact CG2-CH2 4.08Å; I138-W213 HydrophobicContact CG2-CZ2 4.17Å
139A97Very high94.4Very high0 Ų025.3 Ų25.30%013%0.129CC..Hα-helixtrans-63.2-41.5175.700000111.8H135 L136 L142 R143 A178 V179 W213H135-A139 PolarHBondContact O-N 3.46Å; L136-A139 PolarHBondContact O-N 3.01Å; A139-L142 PolarHBondContact O-N 3.04Å; A139-R143 PolarHBondContact O-N 3.48Å; A139-A178 HydrophobicContact CB-CB 4.14Å; A139-V179 VanDerWaalsContact C-CG2 3.48Å; A139-V179 HydrophobicContact CB-CG2 3.9Å; A139-V179 WeakPolarHBondContact O-CG2 3.49Å; A139-W213 HydrophobicContact CB-CH2 3.9Å; A139-W213 HydrophobicContact CB-CZ3 4.34Å
140I95.3Very high94.4Very high0 Ų019.9 Ų19.90%011%0.109CC..Hα-helixtrans-66.2-42.5176.2-65.3167.6000111.2V112 L136 M137 L142 R143 A144 V179 V566V112-I140 HydrophobicContact CG1-CG2 4.4Å; L136-I140 HydrophobicContact CD1-CD1 4.26Å; L136-I140 HydrophobicContact CG-CD1 4.14Å; L136-I140 WeakPolarHBondContact O-CG1 3.24Å; L136-I140 PolarHBondContact O-N 3.19Å; M137-I140 PolarHBondContact O-N 2.56Å; I140-L142 VanDerWaalsContact C-N 3.33Å; I140-L142 PolarHBondContact O-N 2.94Å; I140-R143 PolarHBondContact O-N 3.33Å; I140-A144 WeakPolarHBondContact O-CB 3.48Å; I140-A144 PolarHBondContact O-N 3.49Å; I140-V179 HydrophobicContact CB-CG2 4.44Å; I140-V179 HydrophobicContact CG1-CG1 4.16Å; I140-V179 HydrophobicContact CG1-CG2 3.86Å; I140-V566 HydrophobicContact CD1-CB 4.35Å; I140-V566 HydrophobicContact CD1-CG1 4.36Å; I140-V566 HydrophobicContact CD1-CG2 4.07Å
141L97.5Very high94.2Very high42 Ų4219.9 Ų19.922%0.2211%0.109CC..Hα-helixtrans-57.1-46.5174.4172.955.6000110.8M109 V112 I113 I116 M137 I138 A144 S145M109-L141 HydrophobicContact CE-CD1 3.29Å; M109-L141 HydrophobicContact SD-CD1 3.24Å; M109-L141 WeakPolarHBondContact SD-CD1 3.43Å; M109-L141 HydrophobicContact SD-CG 4.48Å; V112-L141 HydrophobicContact CG2-CB 3.99Å; V112-L141 HydrophobicContact CG2-CD1 4.33Å; I113-L141 HydrophobicContact CD1-CD1 4.23Å; I113-L141 HydrophobicContact CG1-CD1 4.01Å; I113-L141 HydrophobicContact CG1-CD2 4.27Å; I116-L141 HydrophobicContact CD1-CD2 3.84Å; M137-L141 VanDerWaalsContact O-CB 3.24Å; M137-L141 WeakPolarHBondContact O-CB 3.26Å; M137-L141 PolarHBondContact O-N 2.98Å; I138-L141 WeakPolarHBondContact O-CB 3.39Å; I138-L141 PolarHBondContact O-N 3.32Å; L141-A144 PolarHBondContact O-N 3.35Å; L141-S145 WeakPolarHBondContact O-CB 3.39Å; L141-S145 PolarHBondContact O-N 3.26Å; L141-S145 PolarHBondContact O-OG 2.87Å
142L96.2Very high93.9Very high44 Ų4422.5 Ų22.523%0.2312%0.123CC..Hα-helixtrans-62.6-44177.9-175.263.7000112.5I138 A139 I140 S145 S146 V171 F174I138-L142 WeakPolarHBondContact O-CB 3.36Å; I138-L142 PolarHBondContact O-N 3.34Å; A139-L142 PolarHBondContact O-N 3.04Å; I140-L142 VanDerWaalsContact C-N 3.33Å; I140-L142 PolarHBondContact O-N 2.94Å; L142-S145 PolarHBondContact O-OG 3.39Å; L142-S145 VanDerWaalsContact O-OG 3.06Å; L142-S146 VanDerWaalsContact O-CB 3.3Å; L142-S146 WeakPolarHBondContact O-CB 3.37Å; L142-S146 PolarHBondContact O-N 2.97Å; L142-S146 PolarHBondContact O-OG 3.39Å; L142-V171 HydrophobicContact CD1-CG1 3.55Å; L142-V171 HydrophobicContact CD2-CG1 4.44Å; L142-V171 HydrophobicContact CG-CG1 4.02Å; L142-F174 HydrophobicContact CD2-CD1 3.47Å; L142-F174 VanDerWaalsContact CD2-CD1 3.47Å; L142-F174 HydrophobicContact CD2-CE1 3.49Å; L142-F174 VanDerWaalsContact CD2-CE1 3.49Å
143R95Very high93.6Very high5 Ų523.4 Ų23.42%0.01913%0.127CC..Hα-helixtrans-61.8-50.4176.7-176.3-176.668.1176.41.2111.2A139 I140 S146 W147 L172 M176 V179 L559A139-R143 PolarHBondContact O-N 3.48Å; I140-R143 PolarHBondContact O-N 3.33Å; R143-S146 PolarHBondContact O-N 3.13Å; R143-W147 PolarHBondContact O-N 3.13Å; R143-L172 HydrophobicContact CG-CD1 4.23Å; R143-M176 HydrophobicContact CG-CG 4.38Å; R143-V179 HydrophobicContact CB-CG2 4.27Å; R143-L559 PolarHBondContact NH2-O 3.37Å; R143-L559 VanDerWaalsContact NH2-O 3.09Å
144A95.4Very high92.9Very high0 Ų023.9 Ų23.90%013%0.131CC..Hα-helixtrans-65.3-41.7-178.100000112.2Y105 M109 I140 L141 I148Y105-A144 HydrophobicContact CD1-CB 3.61Å; Y105-A144 HydrophobicContact CE1-CB 4.27Å; Y105-A144 HydrophobicContact CG-CB 3.99Å; M109-A144 HydrophobicContact CG-CB 3.85Å; M109-A144 HydrophobicContact SD-CB 3.55Å; M109-A144 VanDerWaalsContact SD-CB 3.55Å; I140-A144 WeakPolarHBondContact O-CB 3.48Å; I140-A144 PolarHBondContact O-N 3.49Å; L141-A144 PolarHBondContact O-N 3.35Å; A144-I148 VanDerWaalsContact O-CG1 3.31Å; A144-I148 WeakPolarHBondContact O-CG1 3.32Å; A144-I148 PolarHBondContact O-N 3.16Å
145S95.1Very high92.1Very high36 Ų3627.4 Ų27.425%0.25215%0.152SC..Hα-helixtrans-64.4-41.417668.70000111.7L141 L142 I148 C149L141-S145 WeakPolarHBondContact O-CB 3.39Å; L141-S145 PolarHBondContact O-N 3.26Å; L141-S145 PolarHBondContact O-OG 2.87Å; L142-S145 PolarHBondContact O-OG 3.39Å; L142-S145 VanDerWaalsContact O-OG 3.06Å; S145-I148 PolarHBondContact O-N 3.38Å; S145-C149 WeakPolarHBondContact O-CB 2.88Å; S145-C149 PolarHBondContact O-N 2.86Å; S145-C149 PolarHBondContact O-SG 2.95Å
146S93.2Very high91.2Very high3 Ų328 Ų282%0.02116%0.158CC..Hα-helixtrans-66-42.9-179.1-54.60000111.7L142 R143 C149 L150 V171L142-S146 VanDerWaalsContact O-CB 3.3Å; L142-S146 WeakPolarHBondContact O-CB 3.37Å; L142-S146 PolarHBondContact O-N 2.97Å; L142-S146 PolarHBondContact O-OG 3.39Å; R143-S146 PolarHBondContact O-N 3.13Å; S146-C149 PolarHBondContact O-N 3.39Å; S146-L150 WeakPolarHBondContact O-CB 3.37Å; S146-L150 PolarHBondContact O-N 2.96Å; S146-V171 WeakPolarHBondContact OG-CG1 3.36Å
147W93.3Very high90Very high15 Ų1531.8 Ų31.86%0.05718%0.181CC..Hα-helixtrans-64.2-46.2176.6-171.491.4000112F98 F101 L102 Y105 R143 C149 L150 A151 L172 L397F98-W147 AromaticContact CD2-CH2 3.73Å; F98-W147 HydrophobicContact CD2-CH2 3.73Å; F98-W147 HydrophobicContact CD2-CZ2 4.01Å; F98-W147 AromaticContact CE2-CH2 3.68Å; F98-W147 HydrophobicContact CE2-CH2 3.68Å; F98-W147 HydrophobicContact CE2-CZ2 4.17Å; F98-W147 HydrophobicContact CE2-CZ3 4.48Å; F98-W147 HydrophobicContact CZ-CH2 4.45Å; F101-W147 HydrophobicContact CB-CH2 3.42Å; F101-W147 VanDerWaalsContact CB-CH2 3.42Å; F101-W147 HydrophobicContact CB-CZ2 3.5Å; F101-W147 VanDerWaalsContact CB-CZ2 3.5Å; F101-W147 HydrophobicContact CB-CZ3 4.05Å; F101-W147 HydrophobicContact CG-CH2 4.46Å; F101-W147 HydrophobicContact CG-CZ2 4.08Å; L102-W147 HydrophobicContact CB-CZ3 4.28Å; L102-W147 HydrophobicContact CD1-CZ3 4.45Å; Y105-W147 HydrophobicContact CD2-CB 4.31Å; Y105-W147 AromaticContact CD2-CD2 3.75Å; Y105-W147 HydrophobicContact CD2-CD2 3.75Å; Y105-W147 AromaticContact CD2-CE3 3.48Å; Y105-W147 HydrophobicContact CD2-CE3 3.48Å; Y105-W147 VanDerWaalsContact CD2-CE3 3.48Å; Y105-W147 HydrophobicContact CD2-CG 4.12Å; Y105-W147 HydrophobicContact CD2-CZ3 4.1Å; Y105-W147 HydrophobicContact CE2-CB 3.96Å; Y105-W147 AromaticContact CE2-CD2 3.58Å; Y105-W147 HydrophobicContact CE2-CD2 3.58Å; Y105-W147 AromaticContact CE2-CE3 3.85Å; Y105-W147 HydrophobicContact CE2-CE3 3.85Å; Y105-W147 AromaticContact CE2-CG 3.63Å; Y105-W147 HydrophobicContact CE2-CG 3.63Å; R143-W147 PolarHBondContact O-N 3.13Å; W147-C149 PolarHBondContact O-N 3.47Å; W147-L150 PolarHBondContact O-N 3.43Å; W147-L150 VanDerWaalsContact O-N 3.15Å; W147-A151 HydrophobicContact CE3-CB 4.27Å; W147-A151 HydrophobicContact CH2-CB 4.34Å; W147-A151 HydrophobicContact CZ3-CB 4.06Å; W147-A151 WeakPolarHBondContact O-CB 3.35Å; W147-A151 PolarHBondContact O-N 3.06Å; W147-L172 HydrophobicContact CB-CD1 3.97Å; W147-L397 HydrophobicContact CD2-CD1 4.35Å; W147-L397 HydrophobicContact CZ2-CD1 3.82Å
148I92.5Very high88.5Confident44 Ų4439.6 Ų39.623%0.22622%0.222CC..Hα-helixtrans-62.6-42.8178.4-69.7170.8000111.1I106 M109 A144 S145 L150 A151 L152I106-I148 HydrophobicContact CG1-CD1 4.27Å; M109-I148 HydrophobicContact CG-CD1 4.35Å; A144-I148 VanDerWaalsContact O-CG1 3.31Å; A144-I148 WeakPolarHBondContact O-CG1 3.32Å; A144-I148 PolarHBondContact O-N 3.16Å; S145-I148 PolarHBondContact O-N 3.38Å; I148-L150 VanDerWaalsContact C-N 3.29Å; I148-L150 PolarHBondContact O-N 2.9Å; I148-A151 PolarHBondContact O-N 2.87Å; I148-L152 WeakPolarHBondContact O-CB 3.33Å; I148-L152 PolarHBondContact O-N 3.37Å
149C91.7Very high87.1Confident60 Ų6041.4 Ų41.441%0.40523%0.232SC..Hα-helixtrans-62.4-38.2176.1-72.50000111.4S145 S146 W147 L152 I153 L168S145-C149 WeakPolarHBondContact O-CB 2.88Å; S145-C149 PolarHBondContact O-N 2.86Å; S145-C149 PolarHBondContact O-SG 2.95Å; S146-C149 PolarHBondContact O-N 3.39Å; W147-C149 PolarHBondContact O-N 3.47Å; C149-L152 PolarHBondContact O-N 3.01Å; C149-I153 VanDerWaalsContact O-CG1 3.32Å; C149-I153 WeakPolarHBondContact O-CG1 3.4Å; C149-I153 PolarHBondContact O-N 3.26Å; C149-L168 VanDerWaalsContact C-CD2 3.45Å; C149-L168 HydrophobicContact CB-CD1 3.99Å; C149-L168 HydrophobicContact CB-CD2 3.49Å; C149-L168 VanDerWaalsContact CB-CD2 3.49Å; C149-L168 HydrophobicContact CB-CG 4.35Å
150L90.1Very high86Confident4 Ų444.2 Ų44.22%0.02125%0.245CC..Hα-helixtrans-70.5-42.5-179.4-171.965.4000110.2S146 W147 I148 L152 I153 N154 N165 L168 L172 E239S146-L150 WeakPolarHBondContact O-CB 3.37Å; S146-L150 PolarHBondContact O-N 2.96Å; W147-L150 PolarHBondContact O-N 3.43Å; W147-L150 VanDerWaalsContact O-N 3.15Å; I148-L150 VanDerWaalsContact C-N 3.29Å; I148-L150 PolarHBondContact O-N 2.9Å; L150-L152 VanDerWaalsContact C-N 3.32Å; L150-L152 PolarHBondContact O-N 3.45Å; L150-I153 PolarHBondContact O-N 3.28Å; L150-N154 WeakPolarHBondContact O-CB 3.39Å; L150-N154 PolarHBondContact O-N 3.02Å; L150-N165 WeakPolarHBondContact CD1-OD1 3.49Å; L150-L168 HydrophobicContact CB-CD2 3.81Å; L150-L168 HydrophobicContact CB-CG 4.28Å; L150-L168 HydrophobicContact CD1-CD2 4.16Å; L150-L168 HydrophobicContact CD1-CG 4.49Å; L150-L172 HydrophobicContact CD2-CD2 3.81Å; L150-E239 HydrophobicContact CD2-CG 4.42Å
151A87.6Confident85.4Confident4 Ų446.7 Ų46.73%0.03326%0.263CS..Hα-helixtrans-57.4-43.3172.200000112.4F98 W147 I148 T155 L397F98-A151 HydrophobicContact CE2-CB 3.78Å; F98-A151 HydrophobicContact CZ-CB 4.03Å; W147-A151 HydrophobicContact CE3-CB 4.27Å; W147-A151 HydrophobicContact CH2-CB 4.34Å; W147-A151 HydrophobicContact CZ3-CB 4.06Å; W147-A151 WeakPolarHBondContact O-CB 3.35Å; W147-A151 PolarHBondContact O-N 3.06Å; I148-A151 PolarHBondContact O-N 2.87Å; A151-T155 WeakPolarHBondContact O-CB 3.13Å; A151-T155 PolarHBondContact O-N 3.38Å; A151-T155 PolarHBondContact O-OG1 3.49Å; A151-L397 HydrophobicContact CB-CD1 4.16Å; A151-L397 HydrophobicContact CB-CD2 4.38Å
152L87.4Confident84.8Confident102 Ų10248.8 Ų48.853%0.53427%0.271SS..Hα-helixtrans-66.3-43.9178.5-177.862.6000112.2I148 C149 L150 T155 T156I148-L152 WeakPolarHBondContact O-CB 3.33Å; I148-L152 PolarHBondContact O-N 3.37Å; C149-L152 PolarHBondContact O-N 3.01Å; L150-L152 VanDerWaalsContact C-N 3.32Å; L150-L152 PolarHBondContact O-N 3.45Å; L152-T155 PolarHBondContact O-N 2.83Å; L152-T156 VanDerWaalsContact O-CB 3.27Å; L152-T156 WeakPolarHBondContact O-CB 3.48Å; L152-T156 PolarHBondContact O-N 2.8Å; L152-T156 PolarHBondContact O-OG1 3.28Å
153I85.7Confident84.4Confident19 Ų1951.1 Ų51.110%0.09729%0.287CS..Hα-helixtrans-63.3-47.1177.4-69.5168.4000110.4C149 L150 T155 T156 V164 L168C149-I153 VanDerWaalsContact O-CG1 3.32Å; C149-I153 WeakPolarHBondContact O-CG1 3.4Å; C149-I153 PolarHBondContact O-N 3.26Å; L150-I153 PolarHBondContact O-N 3.28Å; I153-T155 VanDerWaalsContact C-N 3.28Å; I153-T155 PolarHBondContact O-N 2.93Å; I153-T156 CarbonylContact O-C 3.57Å; I153-T156 PolarHBondContact O-N 3.06Å; I153-T156 VanDerWaalsContact O-N 3.15Å; I153-V164 HydrophobicContact CD1-CG1 3.84Å; I153-L168 HydrophobicContact CD1-CD2 3.77Å
154N78.7Confident84.1Confident24 Ų2454.3 Ų54.313%0.12831%0.307CS..Hα-helixtrans-69.6-25.5-177.6-71.1-6.9000112.9L150 L397L150-N154 WeakPolarHBondContact O-CB 3.39Å; L150-N154 PolarHBondContact O-N 3.02Å; N154-L397 HydrophobicContact CB-CD2 3.62Å; N154-L397 WeakPolarHBondContact ND2-CD2 2.84Å
155T77.4Confident83.8Confident76 Ų7654.4 Ų54.447%0.46631%0.307SS..Hα-helixtrans-81.5-27.8173.3-52.20000112A151 L152 I153 I400A151-T155 WeakPolarHBondContact O-CB 3.13Å; A151-T155 PolarHBondContact O-N 3.38Å; A151-T155 PolarHBondContact O-OG1 3.49Å; L152-T155 PolarHBondContact O-N 2.83Å; I153-T155 VanDerWaalsContact C-N 3.28Å; I153-T155 PolarHBondContact O-N 2.93Å; T155-I400 HydrophobicContact CG2-CD1 4.4Å
156T77.5Confident83.6Confident47 Ų4753.1 Ų53.129%0.28830%0.298SS..  trans-105.394-174.7-47.50000110.5L152 I153 L158 L159L152-T156 VanDerWaalsContact O-CB 3.27Å; L152-T156 WeakPolarHBondContact O-CB 3.48Å; L152-T156 PolarHBondContact O-N 2.8Å; L152-T156 PolarHBondContact O-OG1 3.28Å; I153-T156 CarbonylContact O-C 3.57Å; I153-T156 PolarHBondContact O-N 3.06Å; I153-T156 VanDerWaalsContact O-N 3.15Å; T156-L158 HydrophobicContact CG2-CB 4.25Å; T156-L158 PolarHBondContact O-N 3.28Å; T156-L159 HydrophobicContact CG2-CD1 4.02Å; T156-L159 HydrophobicContact CG2-CG 4.19Å; T156-L159 PolarHBondContact O-N 2.95Å
157T70.3Confident83.6Confident82 Ų8258 Ų5850%0.50332%0.322SS..G310 helixtrans-52.3-29.8179.554.50000113.7L159 H160 E402T157-L159 VanDerWaalsContact C-N 3.25Å; T157-L159 PolarHBondContact O-N 3.25Å; T157-H160 WeakPolarHBondContact O-CB 3.45Å; T157-H160 PolarHBondContact O-N 3.47Å; T157-E402 HydrophobicContact CG2-CG 4.12Å
158L64.3Low83.5Confident164 Ų16458.3 Ų58.386%0.85933%0.325SS*.G310 helixtrans-68.1-18.6179.4-149.280000114.3T156T156-L158 HydrophobicContact CG2-CB 4.25Å; T156-L158 PolarHBondContact O-N 3.28Å
159L67.5Low83.5Confident98 Ų9856.3 Ų56.351%0.51332%0.315SS..G310 helixtrans-106.18.2-177.7-71.2169.3000113.1T156 T157 S161T156-L159 HydrophobicContact CG2-CD1 4.02Å; T156-L159 HydrophobicContact CG2-CG 4.19Å; T156-L159 PolarHBondContact O-N 2.95Å; T157-L159 VanDerWaalsContact C-N 3.25Å; T157-L159 PolarHBondContact O-N 3.25Å; L159-S161 VanDerWaalsContact C-N 3.28Å; L159-S161 PolarHBondContact O-N 2.85Å
160H74Confident83.6Confident59 Ų5954.7 Ų54.727%0.27330%0.304SS..  trans-74.674-171.6-167.6-79.4000112.9T157T157-H160 WeakPolarHBondContact O-CB 3.45Å; T157-H160 PolarHBondContact O-N 3.47Å
161S83.6Confident83.9Confident53 Ų5356.8 Ų56.837%0.37132%0.317SS..  trans-91.7118.4167.3175.50000110.2L159 V163 V164 N165L159-S161 VanDerWaalsContact C-N 3.28Å; L159-S161 PolarHBondContact O-N 2.85Å; S161-V163 VanDerWaalsContact C-N 3.27Å; S161-V163 PolarHBondContact O-N 3.38Å; S161-V164 PolarHBondContact O-N 3.5Å; S161-N165 PolarHBondContact O-N 3.48Å
162Q84.9Confident84.2Confident86 Ų8656.8 Ų56.840%0.40232%0.316SS..Hα-helixtrans-56.1-41.3179.1-68.3166.2-20.400112N165 N166 I234Q162-N165 PolarHBondContact O-N 2.95Å; Q162-N166 WeakPolarHBondContact O-CB 3.33Å; Q162-N166 PolarHBondContact O-N 3.22Å; Q162-N166 PolarHBondContact O-ND2 3.01Å; Q162-N166 PolarHBondContact O-OD1 3.26Å; Q162-I234 PolarHBondContact NE2-O 3.37Å; Q162-I234 PolarHBondContact OE1-O 3.13Å
163V87.8Confident84.5Confident92 Ų9251.9 Ų51.956%0.55829%0.291SS*.Hα-helixtrans-64.7-45.4179.9179.60000110.8S161 N166 I167S161-V163 VanDerWaalsContact C-N 3.27Å; S161-V163 PolarHBondContact O-N 3.38Å; V163-N166 PolarHBondContact O-N 2.97Å; V163-I167 HydrophobicContact CG1-CD1 3.92Å; V163-I167 VanDerWaalsContact O-CG1 3.29Å; V163-I167 WeakPolarHBondContact O-CG1 3.19Å; V163-I167 PolarHBondContact O-N 3.38Å
164V88.4Confident85Confident72 Ų7253.2 Ų53.244%0.43630%0.296SS..Hα-helixtrans-65.2-43.2179.4178.50000110.4I153 S161 I167 L168I153-V164 HydrophobicContact CD1-CG1 3.84Å; S161-V164 PolarHBondContact O-N 3.5Å; V164-I167 PolarHBondContact O-N 3.1Å; V164-L168 VanDerWaalsContact O-CB 3.3Å; V164-L168 WeakPolarHBondContact O-CB 3.47Å; V164-L168 PolarHBondContact O-N 3.04Å
165N88.9Confident85.7Confident2 Ų252 Ų521%0.01129%0.29CS..Hα-helixtrans-56.8-51.8174.2179.192.9000111.1L150 S161 Q162 I167 L168 T169 L236 W237L150-N165 WeakPolarHBondContact CD1-OD1 3.49Å; S161-N165 PolarHBondContact O-N 3.48Å; Q162-N165 PolarHBondContact O-N 2.95Å; N165-I167 VanDerWaalsContact C-N 3.33Å; N165-I167 PolarHBondContact O-N 3.33Å; N165-L168 CarbonylContact O-C 3.38Å; N165-L168 WeakPolarHBondContact O-CB 3.38Å; N165-L168 PolarHBondContact O-N 2.95Å; N165-T169 PolarHBondContact O-N 3.48Å; N165-T169 PolarHBondContact O-OG1 3.48Å; N165-L236 HydrophobicContact CB-CD1 3.48Å; N165-L236 VanDerWaalsContact CB-CD1 3.48Å; N165-L236 WeakPolarHBondContact ND2-CD1 3.48Å; N165-L236 WeakPolarHBondContact ND2-CG 3.39Å; N165-W237 PolarHBondContact ND2-O 2.64Å
166N91.2Very high86.4Confident10 Ų1049.1 Ų49.15%0.05327%0.271CS..Hα-helixtrans-63.5-39.7-175.7-66.4-2.5000111.8Q162 V163 T169 C170 H235 W237Q162-N166 WeakPolarHBondContact O-CB 3.33Å; Q162-N166 PolarHBondContact O-N 3.22Å; Q162-N166 PolarHBondContact O-ND2 3.01Å; Q162-N166 PolarHBondContact O-OD1 3.26Å; V163-N166 PolarHBondContact O-N 2.97Å; N166-T169 PolarHBondContact O-N 3.28Å; N166-C170 PolarHBondContact O-N 3.33Å; N166-C170 VanDerWaalsContact O-N 3.07Å; N166-C170 PolarHBondContact O-SG 2.67Å; N166-C170 VanDerWaalsContact O-SG 3.34Å; N166-H235 PolarHBondContact ND2-O 3.22Å; N166-W237 HydrophobicContact CB-CB 4.39Å; N166-W237 HydrophobicContact CB-CD2 3.93Å; N166-W237 HydrophobicContact CB-CE3 4.11Å; N166-W237 HydrophobicContact CB-CG 4.09Å; N166-W237 WeakPolarHBondContact OD1-CB 3.49Å; N166-W237 PolarHBondContact OD1-N 3.27Å
167I92.4Very high87.2Confident104 Ų10447 Ų4753%0.53326%0.258SS..Hα-helixtrans-60.9-46.8172.3-68.9168.5000110.2V163 V164 N165 T169 C170 V171V163-I167 HydrophobicContact CG1-CD1 3.92Å; V163-I167 VanDerWaalsContact O-CG1 3.29Å; V163-I167 WeakPolarHBondContact O-CG1 3.19Å; V163-I167 PolarHBondContact O-N 3.38Å; V164-I167 PolarHBondContact O-N 3.1Å; N165-I167 VanDerWaalsContact C-N 3.33Å; N165-I167 PolarHBondContact O-N 3.33Å; I167-T169 PolarHBondContact O-N 2.92Å; I167-C170 VanDerWaalsContact O-CB 3.31Å; I167-C170 WeakPolarHBondContact O-CB 3.26Å; I167-C170 PolarHBondContact O-N 2.91Å; I167-C170 VanDerWaalsContact O-N 3.15Å; I167-V171 HydrophobicContact CG2-CG2 4.49Å; I167-V171 WeakPolarHBondContact O-CG2 3.11Å; I167-V171 PolarHBondContact O-N 3.26Å
168L92.1Very high88.4Confident23 Ų2343 Ų4312%0.1223%0.234CC..Hα-helixtrans-66.5-37.4-177.7-170.360.5000112.6C149 L150 I153 V164 N165 C170 V171 L172C149-L168 VanDerWaalsContact C-CD2 3.45Å; C149-L168 HydrophobicContact CB-CD1 3.99Å; C149-L168 HydrophobicContact CB-CD2 3.49Å; C149-L168 VanDerWaalsContact CB-CD2 3.49Å; C149-L168 HydrophobicContact CB-CG 4.35Å; L150-L168 HydrophobicContact CB-CD2 3.81Å; L150-L168 HydrophobicContact CB-CG 4.28Å; L150-L168 HydrophobicContact CD1-CD2 4.16Å; L150-L168 HydrophobicContact CD1-CG 4.49Å; I153-L168 HydrophobicContact CD1-CD2 3.77Å; V164-L168 VanDerWaalsContact O-CB 3.3Å; V164-L168 WeakPolarHBondContact O-CB 3.47Å; V164-L168 PolarHBondContact O-N 3.04Å; N165-L168 CarbonylContact O-C 3.38Å; N165-L168 WeakPolarHBondContact O-CB 3.38Å; N165-L168 PolarHBondContact O-N 2.95Å; L168-C170 VanDerWaalsContact C-N 3.32Å; L168-C170 PolarHBondContact O-N 3.37Å; L168-V171 PolarHBondContact O-N 3.41Å; L168-L172 WeakPolarHBondContact O-CB 3.1Å; L168-L172 PolarHBondContact O-N 3.36Å
169T91.7Very high89.8Confident1 Ų135.2 Ų35.21%0.00619%0.193CC..Hα-helixtrans-61.6-39.8171.8-52.50000111N165 N166 I167 L172 A173 W223 W237 A238N165-T169 PolarHBondContact O-N 3.48Å; N165-T169 PolarHBondContact O-OG1 3.48Å; N166-T169 PolarHBondContact O-N 3.28Å; I167-T169 PolarHBondContact O-N 2.92Å; T169-L172 PolarHBondContact O-N 2.93Å; T169-A173 WeakPolarHBondContact O-CB 3.29Å; T169-A173 PolarHBondContact O-N 3.09Å; T169-W223 HydrophobicContact CG2-CH2 3.81Å; T169-W237 HydrophobicContact CG2-CB 4.37Å; T169-W237 WeakPolarHBondContact CG2-O 3.3Å; T169-W237 PolarHBondContact OG1-O 3.32Å; T169-A238 WeakPolarHBondContact CG2-O 3.28Å
170C94.2Very high91Very high27 Ų2731.6 Ų31.618%0.18217%0.172CC..Hα-helixtrans-62.1-44.2172-71.40000112.4N166 I167 L168 L172 A173 F174 T220 W237N166-C170 PolarHBondContact O-N 3.33Å; N166-C170 VanDerWaalsContact O-N 3.07Å; N166-C170 PolarHBondContact O-SG 2.67Å; N166-C170 VanDerWaalsContact O-SG 3.34Å; I167-C170 VanDerWaalsContact O-CB 3.31Å; I167-C170 WeakPolarHBondContact O-CB 3.26Å; I167-C170 PolarHBondContact O-N 2.91Å; I167-C170 VanDerWaalsContact O-N 3.15Å; L168-C170 VanDerWaalsContact C-N 3.32Å; L168-C170 PolarHBondContact O-N 3.37Å; C170-L172 VanDerWaalsContact C-N 3.3Å; C170-L172 PolarHBondContact O-N 3.03Å; C170-A173 PolarHBondContact O-N 3.2Å; C170-F174 WeakPolarHBondContact O-CB 3.48Å; C170-F174 PolarHBondContact O-N 2.81Å; C170-T220 WeakPolarHBondContact O-CG2 3.25Å; C170-W237 VanDerWaalsContact SG-CZ3 3.5Å
171V95.7Very high91.9Very high48 Ų4829.1 Ų29.129%0.29116%0.162SC..Hα-helixtrans-65.1-37.7177.7-175.70000110.7L142 S146 I167 L168 G175L142-V171 HydrophobicContact CD1-CG1 3.55Å; L142-V171 HydrophobicContact CD2-CG1 4.44Å; L142-V171 HydrophobicContact CG-CG1 4.02Å; S146-V171 WeakPolarHBondContact OG-CG1 3.36Å; I167-V171 HydrophobicContact CG2-CG2 4.49Å; I167-V171 WeakPolarHBondContact O-CG2 3.11Å; I167-V171 PolarHBondContact O-N 3.26Å; L168-V171 PolarHBondContact O-N 3.41Å; V171-G175 PolarHBondContact O-N 2.76Å
172L94.1Very high92.5Very high3 Ų326.6 Ų26.62%0.01614%0.144CC..Hα-helixtrans-63.2-49.2173.9-179.559.8000111.2R143 W147 L150 L168 T169 C170 F174 G175 M176 E239R143-L172 HydrophobicContact CG-CD1 4.23Å; W147-L172 HydrophobicContact CB-CD1 3.97Å; L150-L172 HydrophobicContact CD2-CD2 3.81Å; L168-L172 WeakPolarHBondContact O-CB 3.1Å; L168-L172 PolarHBondContact O-N 3.36Å; T169-L172 PolarHBondContact O-N 2.93Å; C170-L172 VanDerWaalsContact C-N 3.3Å; C170-L172 PolarHBondContact O-N 3.03Å; L172-F174 PolarHBondContact O-N 3.44Å; L172-G175 CarbonylContact O-C 3.04Å; L172-G175 PolarHBondContact O-N 2.86Å; L172-G175 VanDerWaalsContact O-N 3.14Å; L172-M176 HydrophobicContact CG-CE 4.45Å; L172-M176 WeakPolarHBondContact O-CG 3.31Å; L172-M176 PolarHBondContact O-N 2.92Å; L172-E239 HydrophobicContact CD2-CG 3.84Å; L172-E239 WeakPolarHBondContact CD2-OE1 3.13Å
173A93.7Very high92.7Very high0 Ų022.6 Ų22.60%013%0.125CC..Hα-helixtrans-57.7-46.2176.200000112T169 C170 G175 M176 I177 T220 W223 P240T169-A173 WeakPolarHBondContact O-CB 3.29Å; T169-A173 PolarHBondContact O-N 3.09Å; C170-A173 PolarHBondContact O-N 3.2Å; A173-G175 PolarHBondContact O-N 3.4Å; A173-M176 HydrophobicContact CB-CE 4.37Å; A173-M176 WeakPolarHBondContact O-CB 3.42Å; A173-M176 PolarHBondContact O-N 3.36Å; A173-I177 WeakPolarHBondContact O-CG1 3.34Å; A173-I177 PolarHBondContact O-N 3.04Å; A173-I177 VanDerWaalsContact O-N 3.13Å; A173-T220 HydrophobicContact CB-CG2 4.11Å; A173-W223 HydrophobicContact CB-CE3 4.09Å; A173-W223 HydrophobicContact CB-CH2 4.45Å; A173-W223 HydrophobicContact CB-CZ3 3.93Å; A173-P240 HydrophobicContact CB-CG 4.19Å
174F96.4Very high92.9Very high46 Ų4619.7 Ų19.720%0.20211%0.107CC..Hα-helixtrans-59.9-46.3173.3172.9-102.8000112.1L142 C170 L172 M176 I177 A178 W213 P216 A217 T220L142-F174 HydrophobicContact CD2-CD1 3.47Å; L142-F174 VanDerWaalsContact CD2-CD1 3.47Å; L142-F174 HydrophobicContact CD2-CE1 3.49Å; L142-F174 VanDerWaalsContact CD2-CE1 3.49Å; C170-F174 WeakPolarHBondContact O-CB 3.48Å; C170-F174 PolarHBondContact O-N 2.81Å; L172-F174 PolarHBondContact O-N 3.44Å; F174-M176 VanDerWaalsContact C-N 3.3Å; F174-M176 PolarHBondContact O-N 2.91Å; F174-I177 PolarHBondContact O-N 3.48Å; F174-A178 WeakPolarHBondContact O-CB 3.44Å; F174-A178 PolarHBondContact O-N 3.3Å; F174-W213 AromaticContact CE1-CE3 3.85Å; F174-W213 HydrophobicContact CE1-CE3 3.85Å; F174-W213 AromaticContact CE1-CZ3 3.73Å; F174-W213 HydrophobicContact CE1-CZ3 3.73Å; F174-W213 HydrophobicContact CE2-CE3 4.32Å; F174-W213 HydrophobicContact CZ-CD2 4.49Å; F174-W213 AromaticContact CZ-CE3 3.4Å; F174-W213 HydrophobicContact CZ-CE3 3.4Å; F174-W213 AromaticContact CZ-CZ3 3.8Å; F174-W213 HydrophobicContact CZ-CZ3 3.8Å; F174-P216 HydrophobicContact CD2-CB 3.8Å; F174-P216 HydrophobicContact CE2-CB 3.75Å; F174-A217 HydrophobicContact CD2-CB 4.49Å; F174-A217 HydrophobicContact CE2-CB 4.01Å; F174-T220 VanDerWaalsContact CA-OG1 3.28Å; F174-T220 WeakPolarHBondContact CA-OG1 3.08Å; F174-T220 HydrophobicContact CB-CG2 4.03Å
175G94.7Very high93.1Very high0 Ų016.4 Ų16.40%09%0.087CC..Hα-helixtrans-59-40.1176.700000112.5V171 L172 A173 V179V171-G175 PolarHBondContact O-N 2.76Å; L172-G175 CarbonylContact O-C 3.04Å; L172-G175 PolarHBondContact O-N 2.86Å; L172-G175 VanDerWaalsContact O-N 3.14Å; A173-G175 PolarHBondContact O-N 3.4Å; G175-V179 VanDerWaalsContact O-CG2 3.25Å; G175-V179 WeakPolarHBondContact O-CG2 3.42Å; G175-V179 PolarHBondContact O-N 2.88Å
176M91.5Very high93.1Very high15 Ų1516.5 Ų16.57%0.0749%0.087CC..Hα-helixtrans-60.1-56.8175.1-70.5-168.7-72.500111.2R143 L172 A173 F174 A178 V179 Y180 P240 I254 I394R143-M176 HydrophobicContact CG-CG 4.38Å; L172-M176 HydrophobicContact CG-CE 4.45Å; L172-M176 WeakPolarHBondContact O-CG 3.31Å; L172-M176 PolarHBondContact O-N 2.92Å; A173-M176 HydrophobicContact CB-CE 4.37Å; A173-M176 WeakPolarHBondContact O-CB 3.42Å; A173-M176 PolarHBondContact O-N 3.36Å; F174-M176 VanDerWaalsContact C-N 3.3Å; F174-M176 PolarHBondContact O-N 2.91Å; M176-A178 VanDerWaalsContact C-N 3.32Å; M176-A178 PolarHBondContact O-N 3.26Å; M176-V179 PolarHBondContact O-N 2.87Å; M176-Y180 WeakPolarHBondContact O-CD2 3.32Å; M176-Y180 PolarHBondContact O-N 3.47Å; M176-P240 HydrophobicContact CE-CG 3.5Å; M176-I254 HydrophobicContact CB-CD1 4.36Å; M176-I394 HydrophobicContact SD-CD1 4.48Å; M176-I394 HydrophobicContact SD-CG2 4.43Å
177I93.7Very high92.9Very high1 Ų116 Ų161%0.0059%0.085CC..Hα-helixtrans-64.2-38.1-178.2-53.6170.9000111.2A173 F174 V179 Y180 S181 P216 L219 V250 I254A173-I177 WeakPolarHBondContact O-CG1 3.34Å; A173-I177 PolarHBondContact O-N 3.04Å; A173-I177 VanDerWaalsContact O-N 3.13Å; F174-I177 PolarHBondContact O-N 3.48Å; I177-V179 PolarHBondContact O-N 3.41Å; I177-Y180 PolarHBondContact O-N 2.83Å; I177-S181 WeakPolarHBondContact O-CB 3.35Å; I177-S181 PolarHBondContact O-N 3.23Å; I177-S181 PolarHBondContact O-OG 3.44Å; I177-P216 HydrophobicContact CB-CB 4.06Å; I177-P216 HydrophobicContact CG2-CB 3.94Å; I177-P216 HydrophobicContact CG2-CG 4.06Å; I177-L219 HydrophobicContact CD1-CB 3.82Å; I177-L219 HydrophobicContact CG2-CD1 3.99Å; I177-V250 HydrophobicContact CD1-CB 4.47Å; I177-V250 HydrophobicContact CD1-CG1 3.78Å; I177-V250 HydrophobicContact CD1-CG2 4.25Å; I177-V250 HydrophobicContact CG1-CG1 3.86Å; I177-I254 HydrophobicContact CG1-CD1 4.31Å; I177-I254 HydrophobicContact CG1-CG1 4.28Å
178A95.8Very high92.7Very high0 Ų013.3 Ų13.30%07%0.071CC..Hα-helixtrans-62.7-41.7179.100000112.3A139 F174 M176 Y180 S181 W182 W213 P216A139-A178 HydrophobicContact CB-CB 4.14Å; F174-A178 WeakPolarHBondContact O-CB 3.44Å; F174-A178 PolarHBondContact O-N 3.3Å; M176-A178 VanDerWaalsContact C-N 3.32Å; M176-A178 PolarHBondContact O-N 3.26Å; A178-Y180 PolarHBondContact O-N 3.45Å; A178-S181 PolarHBondContact O-N 3.07Å; A178-W182 VanDerWaalsContact O-CD1 3.25Å; A178-W182 PolarHBondContact O-N 3.02Å; A178-W213 HydrophobicContact CB-CE3 4.05Å; A178-W213 HydrophobicContact CB-CZ3 3.72Å; A178-P216 HydrophobicContact CB-CB 4.09Å; A178-P216 HydrophobicContact CB-CG 4.04Å
179V93.8Very high92.5Very high0 Ų012.8 Ų12.80%07%0.067CC..Hα-helixtrans-58.6-47.9176168.60000110.7A139 I140 R143 G175 M176 I177 S181 W182 M183A139-V179 VanDerWaalsContact C-CG2 3.48Å; A139-V179 HydrophobicContact CB-CG2 3.9Å; A139-V179 WeakPolarHBondContact O-CG2 3.49Å; I140-V179 HydrophobicContact CB-CG2 4.44Å; I140-V179 HydrophobicContact CG1-CG1 4.16Å; I140-V179 HydrophobicContact CG1-CG2 3.86Å; R143-V179 HydrophobicContact CB-CG2 4.27Å; G175-V179 VanDerWaalsContact O-CG2 3.25Å; G175-V179 WeakPolarHBondContact O-CG2 3.42Å; G175-V179 PolarHBondContact O-N 2.88Å; M176-V179 PolarHBondContact O-N 2.87Å; I177-V179 PolarHBondContact O-N 3.41Å; V179-S181 PolarHBondContact O-N 3.45Å; V179-W182 PolarHBondContact O-N 3.38Å; V179-M183 HydrophobicContact CG1-CE 4.01Å; V179-M183 HydrophobicContact CG1-SD 4.49Å; V179-M183 WeakPolarHBondContact O-CG 3.37Å; V179-M183 PolarHBondContact O-N 3.15Å
180Y92.2Very high92.2Very high21 Ų2115 Ų158%0.0828%0.079CC..Hα-helixtrans-65.1-38.9177.7-66.8-72.6000112.9M176 I177 A178 M183 L184 I254 T257 L258M176-Y180 WeakPolarHBondContact O-CD2 3.32Å; M176-Y180 PolarHBondContact O-N 3.47Å; I177-Y180 PolarHBondContact O-N 2.83Å; A178-Y180 PolarHBondContact O-N 3.45Å; Y180-M183 HydrophobicContact CD1-CE 3.18Å; Y180-M183 HydrophobicContact CE1-CE 3.61Å; Y180-M183 HydrophobicContact CG-CE 3.92Å; Y180-M183 PolarHBondContact O-N 2.96Å; Y180-L184 PolarHBondContact O-N 3.02Å; Y180-I254 HydrophobicContact CD1-CG2 4.14Å; Y180-I254 HydrophobicContact CD2-CB 4.18Å; Y180-I254 HydrophobicContact CD2-CD1 4.14Å; Y180-I254 HydrophobicContact CD2-CG1 3.82Å; Y180-I254 HydrophobicContact CD2-CG2 3.43Å; Y180-I254 VanDerWaalsContact CD2-CG2 3.43Å; Y180-I254 HydrophobicContact CE1-CG2 4.1Å; Y180-I254 HydrophobicContact CE2-CB 4.42Å; Y180-I254 HydrophobicContact CE2-CD1 4.15Å; Y180-I254 HydrophobicContact CE2-CG1 4.24Å; Y180-I254 HydrophobicContact CE2-CG2 3.37Å; Y180-I254 HydrophobicContact CG-CG2 3.85Å; Y180-T257 WeakPolarHBondContact O-CG2 3.24Å; Y180-L258 HydrophobicContact CD1-CD1 4.19Å; Y180-L258 HydrophobicContact CE1-CD1 4.15Å
181S93.3Very high91.6Very high8 Ų815.9 Ų15.96%0.0568%0.081CC..Hα-helixtrans-64.5-41.2177.4-61.10000112.3I177 A178 V179 L184 I185 P216I177-S181 WeakPolarHBondContact O-CB 3.35Å; I177-S181 PolarHBondContact O-N 3.23Å; I177-S181 PolarHBondContact O-OG 3.44Å; A178-S181 PolarHBondContact O-N 3.07Å; V179-S181 PolarHBondContact O-N 3.45Å; S181-L184 PolarHBondContact O-N 2.99Å; S181-I185 WeakPolarHBondContact O-CG1 3.3Å; S181-I185 PolarHBondContact O-N 3.35Å; S181-P216 WeakPolarHBondContact OG-CG 3.34Å
182W95.3Very high91Very high0 Ų014.1 Ų14.10%07%0.07CC..Hα-helixtrans-71.5-33.2176.6-82.3102.3000113.1I132 H135 L136 A178 V179 I185 E186 F205 G212 W213I132-W182 HydrophobicContact CG2-CE3 4.3Å; I132-W182 HydrophobicContact CG2-CZ3 4.33Å; H135-W182 HydrophobicContact CB-CD2 3.78Å; H135-W182 HydrophobicContact CB-CE3 3.71Å; H135-W182 HydrophobicContact CB-CH2 3.49Å; H135-W182 VanDerWaalsContact CB-CH2 3.49Å; H135-W182 HydrophobicContact CB-CZ2 3.57Å; H135-W182 HydrophobicContact CB-CZ3 3.56Å; H135-W182 AromaticContact CG-CH2 3.69Å; H135-W182 AromaticContact CG-CZ2 3.8Å; H135-W182 AromaticContact ND1-CZ2 3.89Å; L136-W182 HydrophobicContact CB-CB 4.15Å; L136-W182 HydrophobicContact CD1-CB 3.75Å; A178-W182 VanDerWaalsContact O-CD1 3.25Å; A178-W182 PolarHBondContact O-N 3.02Å; V179-W182 PolarHBondContact O-N 3.38Å; W182-I185 HydrophobicContact CD2-CD1 4.42Å; W182-I185 HydrophobicContact CE3-CB 4.4Å; W182-I185 HydrophobicContact CE3-CD1 4.29Å; W182-I185 HydrophobicContact CE3-CG2 4.18Å; W182-I185 HydrophobicContact CZ3-CD1 4.45Å; W182-I185 HydrophobicContact CZ3-CG2 4.11Å; W182-I185 PolarHBondContact O-N 3.01Å; W182-E186 PolarHBondContact O-N 3.02Å; W182-F205 HydrophobicContact CH2-CZ 4.27Å; W182-G212 PolarHBondContact NE1-O 3.47Å; W182-W213 AromaticContact CE2-CE2 3.85Å; W182-W213 AromaticContact CE2-NE1 3.66Å; W182-W213 AromaticContact CZ2-CD1 3.6Å; W182-W213 AromaticContact CZ2-CE2 3.94Å; W182-W213 HydrophobicContact CZ2-CG 4.39Å; W182-W213 AromaticContact CZ2-NE1 3.26Å; W182-W213 VanDerWaalsContact CZ2-NE1 3.26Å; W182-W213 AromaticContact NE1-CD2 3.55Å; W182-W213 AromaticContact NE1-CE2 3.27Å; W182-W213 VanDerWaalsContact NE1-CE2 3.27Å; W182-W213 AromaticContact NE1-CE3 4Å; W182-W213 AromaticContact NE1-CZ2 3.53Å; W182-W213 AromaticContact NE1-NE1 3.55Å
183M90.6Very high90.6Very high1 Ų117 Ų171%0.0059%0.085CC..Hα-helixtrans-62.6-43.5169.9-71.6-171.5-62.100111.6L136 V179 Y180 E186 G187 N261 Q562L136-M183 HydrophobicContact CD1-CG 3.79Å; V179-M183 HydrophobicContact CG1-CE 4.01Å; V179-M183 HydrophobicContact CG1-SD 4.49Å; V179-M183 WeakPolarHBondContact O-CG 3.37Å; V179-M183 PolarHBondContact O-N 3.15Å; Y180-M183 HydrophobicContact CD1-CE 3.18Å; Y180-M183 HydrophobicContact CE1-CE 3.61Å; Y180-M183 HydrophobicContact CG-CE 3.92Å; Y180-M183 PolarHBondContact O-N 2.96Å; M183-E186 WeakPolarHBondContact O-CB 3.25Å; M183-E186 PolarHBondContact O-N 3.42Å; M183-G187 PolarHBondContact O-N 3.43Å; M183-G187 VanDerWaalsContact O-N 3.07Å; M183-N261 PolarHBondContact O-OD1 2.92Å; M183-Q562 PolarHBondContact SD-NE2 3.05Å
184L90.9Very high89.9Confident32 Ų3219.5 Ų19.517%0.16810%0.098CC..Hα-helixtrans-61.8-43.7175.2174.663.5000112Y180 S181 E186 G187 I188 T257 V260 N261 I264Y180-L184 PolarHBondContact O-N 3.02Å; S181-L184 PolarHBondContact O-N 2.99Å; L184-E186 VanDerWaalsContact C-N 3.26Å; L184-E186 PolarHBondContact O-N 2.65Å; L184-G187 PolarHBondContact O-N 3.41Å; L184-G187 VanDerWaalsContact O-N 3.15Å; L184-I188 HydrophobicContact CD1-CD1 4.1Å; L184-I188 HydrophobicContact CD1-CG1 4.25Å; L184-I188 HydrophobicContact CD2-CD1 4.42Å; L184-I188 HydrophobicContact CG-CD1 3.88Å; L184-I188 HydrophobicContact CG-CG1 4.44Å; L184-I188 WeakPolarHBondContact O-CG1 3.36Å; L184-I188 PolarHBondContact O-N 3.49Å; L184-T257 HydrophobicContact CB-CG2 3.86Å; L184-T257 HydrophobicContact CD2-CG2 3.98Å; L184-T257 HydrophobicContact CG-CG2 4.49Å; L184-V260 HydrophobicContact CD1-CB 4.3Å; L184-V260 HydrophobicContact CD1-CG1 3.72Å; L184-N261 HydrophobicContact CB-CB 4.5Å; L184-N261 HydrophobicContact CD1-CB 4.09Å; L184-I264 HydrophobicContact CD1-CD1 3.8Å
185I92.4Very high89.1Confident3 Ų321.5 Ų21.52%0.01511%0.107CC..Hα-helixtrans-61.2-38177-74.6165.6000111.4I132 S181 W182 I188 H189 Y208 I211I132-I185 HydrophobicContact CG2-CG2 4.36Å; S181-I185 WeakPolarHBondContact O-CG1 3.3Å; S181-I185 PolarHBondContact O-N 3.35Å; W182-I185 HydrophobicContact CD2-CD1 4.42Å; W182-I185 HydrophobicContact CE3-CB 4.4Å; W182-I185 HydrophobicContact CE3-CD1 4.29Å; W182-I185 HydrophobicContact CE3-CG2 4.18Å; W182-I185 HydrophobicContact CZ3-CD1 4.45Å; W182-I185 HydrophobicContact CZ3-CG2 4.11Å; W182-I185 PolarHBondContact O-N 3.01Å; I185-I188 PolarHBondContact O-N 3.03Å; I185-H189 VanDerWaalsContact O-CB 3.26Å; I185-H189 WeakPolarHBondContact O-CB 3.38Å; I185-H189 PolarHBondContact O-N 3.49Å; I185-Y208 WeakPolarHBondContact CD1-O 3.22Å; I185-Y208 HydrophobicContact CG2-CD1 3.87Å; I185-Y208 HydrophobicContact CG2-CG 4.1Å; I185-I211 HydrophobicContact CD1-CG2 4.33Å
186E89.6Confident88.1Confident4 Ų424.8 Ų24.82%0.01912%0.124CC..Hα-helixtrans-62.6-44.7174.4-168.2167.4139.900111.4I132 H133 L136 W182 M183 L184 H189 L190 Y570I132-E186 HydrophobicContact CG2-CB 4.31Å; H133-E186 VanDerWaalsContact CE1-CD 3.41Å; H133-E186 IonicContact CE1-OE1 3.21Å; H133-E186 PolarHBondContact CE1-OE1 3.47Å; H133-E186 IonicContact CE1-OE2 3.41Å; H133-E186 PolarHBondContact CE1-OE2 3.3Å; H133-E186 IonicContact ND1-OE1 3.52Å; H133-E186 IonicContact ND1-OE2 2.9Å; H133-E186 PolarHBondContact ND1-OE2 3.07Å; L136-E186 WeakPolarHBondContact CD2-OE2 3.45Å; W182-E186 PolarHBondContact O-N 3.02Å; M183-E186 WeakPolarHBondContact O-CB 3.25Å; M183-E186 PolarHBondContact O-N 3.42Å; L184-E186 VanDerWaalsContact C-N 3.26Å; L184-E186 PolarHBondContact O-N 2.65Å; E186-H189 PolarHBondContact O-N 3.07Å; E186-L190 WeakPolarHBondContact O-CG 3.22Å; E186-L190 PolarHBondContact O-N 3.33Å; E186-Y570 WeakPolarHBondContact OE1-CE2 3.29Å; E186-Y570 PolarHBondContact OE1-OH 3.32Å
187G87.7Confident87Confident0 Ų028.4 Ų28.40%015%0.147CC..Hα-helixtrans-58.4-47.517300000113M183 L184 H189 L190 M191 I264M183-G187 PolarHBondContact O-N 3.43Å; M183-G187 VanDerWaalsContact O-N 3.07Å; L184-G187 PolarHBondContact O-N 3.41Å; L184-G187 VanDerWaalsContact O-N 3.15Å; G187-H189 VanDerWaalsContact C-N 3.34Å; G187-H189 PolarHBondContact O-N 2.91Å; G187-L190 PolarHBondContact O-N 3.27Å; G187-M191 WeakPolarHBondContact O-CB 3.45Å; G187-M191 PolarHBondContact O-N 3.41Å; G187-I264 WeakPolarHBondContact O-CG2 3.42Å
188I88.3Confident85.7Confident47 Ų4735.9 Ų35.924%0.24118%0.18CC..Hα-helixtrans-62.2-41.1176.5-67.7167.8000111L184 I185 M191 N192 Y208 I264L184-I188 HydrophobicContact CD1-CD1 4.1Å; L184-I188 HydrophobicContact CD1-CG1 4.25Å; L184-I188 HydrophobicContact CD2-CD1 4.42Å; L184-I188 HydrophobicContact CG-CD1 3.88Å; L184-I188 HydrophobicContact CG-CG1 4.44Å; L184-I188 WeakPolarHBondContact O-CG1 3.36Å; L184-I188 PolarHBondContact O-N 3.49Å; I185-I188 PolarHBondContact O-N 3.03Å; I188-M191 PolarHBondContact O-N 2.98Å; I188-N192 WeakPolarHBondContact O-CB 3.19Å; I188-N192 PolarHBondContact O-N 3.36Å; I188-N192 PolarHBondContact O-OD1 2.82Å; I188-Y208 HydrophobicContact CG2-CE1 4.26Å; I188-I264 HydrophobicContact CG1-CD1 3.76Å
189H87Confident84.4Confident11 Ų1139 Ų395%0.05120%0.195CC..Hα-helixtrans-62.6-44.5177.9178.765.5000111.7I132 I185 E186 G187 N192 I193I132-H189 HydrophobicContact CD1-CB 3.87Å; I132-H189 VanDerWaalsContact CD1-CG 3.45Å; I185-H189 VanDerWaalsContact O-CB 3.26Å; I185-H189 WeakPolarHBondContact O-CB 3.38Å; I185-H189 PolarHBondContact O-N 3.49Å; E186-H189 PolarHBondContact O-N 3.07Å; G187-H189 VanDerWaalsContact C-N 3.34Å; G187-H189 PolarHBondContact O-N 2.91Å; H189-N192 PolarHBondContact O-N 2.99Å; H189-I193 VanDerWaalsContact NE2-CD1 3.29Å; H189-I193 WeakPolarHBondContact NE2-CD1 3.32Å; H189-I193 WeakPolarHBondContact O-CG1 3.13Å; H189-I193 PolarHBondContact O-N 3.43Å
190L84.7Confident82.9Confident47 Ų4741.1 Ų41.125%0.24621%0.209CC..Hα-helixtrans-62.2-45.4175.7-69.9175.8000111.6E186 G187 N192 I193 L194 M265 T268E186-L190 WeakPolarHBondContact O-CG 3.22Å; E186-L190 PolarHBondContact O-N 3.33Å; G187-L190 PolarHBondContact O-N 3.27Å; L190-N192 PolarHBondContact O-N 3.36Å; L190-I193 PolarHBondContact O-N 3.25Å; L190-L194 WeakPolarHBondContact O-CG 3.39Å; L190-L194 PolarHBondContact O-N 3.46Å; L190-L194 VanDerWaalsContact O-N 3.13Å; L190-M265 HydrophobicContact CD1-CE 4.43Å; L190-M265 HydrophobicContact CD1-SD 4.22Å; L190-T268 HydrophobicContact CB-CG2 4.34Å
191M82.3Confident81.5Confident46 Ų4651 Ų5123%0.22725%0.245CC..Hα-helixtrans-59.3-46.3175.4-176.2-177.966.900111.4G187 I188 I193 L194 F195 I264G187-M191 WeakPolarHBondContact O-CB 3.45Å; G187-M191 PolarHBondContact O-N 3.41Å; I188-M191 PolarHBondContact O-N 2.98Å; M191-I193 VanDerWaalsContact C-N 3.34Å; M191-I193 PolarHBondContact O-N 3.38Å; M191-L194 PolarHBondContact O-N 3.34Å; M191-L194 VanDerWaalsContact O-N 3.13Å; M191-F195 HydrophobicContact CG-CD2 3.76Å; M191-F195 HydrophobicContact CG-CE2 4.11Å; M191-F195 WeakPolarHBondContact O-CD2 3.31Å; M191-F195 PolarHBondContact O-N 3.03Å; M191-I264 HydrophobicContact CB-CG2 3.99Å; M191-I264 HydrophobicContact SD-CG1 4.49Å; M191-I264 HydrophobicContact SD-CG2 4.08Å
192N83.9Confident80.1Confident11 Ų1160.9 Ų60.96%0.05928%0.282CS..Hα-helixtrans-62.8-39.3-180-73.1-9000112.2I188 H189 L190 L194 L196 T197 V200 Y208I188-N192 WeakPolarHBondContact O-CB 3.19Å; I188-N192 PolarHBondContact O-N 3.36Å; I188-N192 PolarHBondContact O-OD1 2.82Å; H189-N192 PolarHBondContact O-N 2.99Å; L190-N192 PolarHBondContact O-N 3.36Å; N192-L194 VanDerWaalsContact C-N 3.32Å; N192-L194 PolarHBondContact O-N 2.8Å; N192-L196 CarbonylContact O-C 3.22Å; N192-L196 WeakPolarHBondContact O-CA 3.19Å; N192-L196 PolarHBondContact O-N 3.43Å; N192-T197 PolarHBondContact O-N 3.34Å; N192-V200 HydrophobicContact CB-CG2 3.56Å; N192-V200 VanDerWaalsContact O-CG2 3.26Å; N192-V200 WeakPolarHBondContact O-CG2 3.35Å; N192-Y208 PolarHBondContact ND2-OH 3.49Å
193I83.8Confident78.7Confident64 Ų6465.5 Ų65.533%0.32830%0.302SS..Hα-helixtrans-62.8-38.8174.8-71.2170.7000111.5H189 L190 M191 V200H189-I193 VanDerWaalsContact NE2-CD1 3.29Å; H189-I193 WeakPolarHBondContact NE2-CD1 3.32Å; H189-I193 WeakPolarHBondContact O-CG1 3.13Å; H189-I193 PolarHBondContact O-N 3.43Å; L190-I193 PolarHBondContact O-N 3.25Å; M191-I193 VanDerWaalsContact C-N 3.34Å; M191-I193 PolarHBondContact O-N 3.38Å; I193-V200 HydrophobicContact CG1-CG2 4.25Å
194L80.8Confident78.1Confident53 Ų5374.9 Ų74.928%0.27734%0.337SS..Hα-helixtrans-80.1-35.7-174.7-72.7171.2000114.2L190 M191 N192 T268L190-L194 WeakPolarHBondContact O-CG 3.39Å; L190-L194 PolarHBondContact O-N 3.46Å; L190-L194 VanDerWaalsContact O-N 3.13Å; M191-L194 PolarHBondContact O-N 3.34Å; M191-L194 VanDerWaalsContact O-N 3.13Å; N192-L194 VanDerWaalsContact C-N 3.32Å; N192-L194 PolarHBondContact O-N 2.8Å; L194-T268 HydrophobicContact CD1-CG2 3.46Å; L194-T268 VanDerWaalsContact CD1-CG2 3.46Å
195F78.2Confident77.7Confident88 Ų8875.5 Ų75.539%0.38634%0.339SS..Hα-helixtrans-113.9-40.3-170.8-71.2-85.2000113.7M191 I267 M271M191-F195 HydrophobicContact CG-CD2 3.76Å; M191-F195 HydrophobicContact CG-CE2 4.11Å; M191-F195 WeakPolarHBondContact O-CD2 3.31Å; M191-F195 PolarHBondContact O-N 3.03Å; F195-I267 HydrophobicContact CE2-CG2 4.11Å; F195-I267 HydrophobicContact CZ-CG2 3.84Å; F195-M271 HydrophobicContact CD1-CE 3.43Å; F195-M271 VanDerWaalsContact CD1-CE 3.43Å; F195-M271 HydrophobicContact CD1-SD 4.12Å; F195-M271 HydrophobicContact CD2-CE 4.16Å; F195-M271 HydrophobicContact CE1-CE 3Å; F195-M271 HydrophobicContact CE1-CG 3.87Å; F195-M271 HydrophobicContact CE1-SD 3.1Å; F195-M271 WeakPolarHBondContact CE1-SD 3.32Å; F195-M271 HydrophobicContact CE2-CE 3.77Å; F195-M271 HydrophobicContact CE2-CG 3.78Å; F195-M271 HydrophobicContact CE2-SD 4.09Å; F195-M271 HydrophobicContact CG-CE 4.04Å; F195-M271 HydrophobicContact CZ-CB 4.35Å; F195-M271 HydrophobicContact CZ-CE 3.24Å; F195-M271 HydrophobicContact CZ-CG 3.17Å; F195-M271 HydrophobicContact CZ-SD 3.11Å; F195-M271 WeakPolarHBondContact CZ-SD 3.18Å
196L73.8Confident77.4Confident69 Ų6979.3 Ų79.336%0.36136%0.362SS..  trans-117.352-165.6-56.8168.3000109.4N192 F198 I199 V200N192-L196 CarbonylContact O-C 3.22Å; N192-L196 WeakPolarHBondContact O-CA 3.19Å; N192-L196 PolarHBondContact O-N 3.43Å; L196-F198 PolarHBondContact O-N 2.87Å; L196-F198 VanDerWaalsContact O-N 3.08Å; L196-I199 HydrophobicContact CB-CB 3.73Å; L196-I199 HydrophobicContact CB-CD1 3.87Å; L196-I199 HydrophobicContact CB-CG1 3.89Å; L196-I199 HydrophobicContact CD1-CD1 3.92Å; L196-I199 HydrophobicContact CD2-CD1 3.86Å; L196-I199 HydrophobicContact CG-CD1 4.07Å; L196-I199 WeakPolarHBondContact O-CA 3.29Å; L196-I199 WeakPolarHBondContact O-CB 3.3Å; L196-I199 PolarHBondContact O-N 2.85Å; L196-V200 PolarHBondContact O-N 3.39Å
197T68.9Low77.4Confident91 Ų9181.8 Ų81.856%0.55838%0.379SS*.Hα-helixtrans-53.6-36.3-176.1-54.60000111.6N192N192-T197 PolarHBondContact O-N 3.34Å
198F66.3Low77.5Confident158 Ų15882.3 Ų82.369%0.69338%0.381SS*.Hα-helixtrans-68.5-34.1175.5-75.2-82.1000113.2L196 L308L196-F198 PolarHBondContact O-N 2.87Å; L196-F198 VanDerWaalsContact O-N 3.08Å; F198-L308 HydrophobicContact CD2-CD2 3.89Å; F198-L308 HydrophobicContact CE2-CD2 3.4Å; F198-L308 HydrophobicContact CZ-CD2 4.29Å
199I67.6Low77.7Confident64 Ų6481.6 Ų81.633%0.32838%0.381SS..Hα-helixtrans-72.6-38.7179.3-63-168.9000111L196 R201 R202 F203L196-I199 HydrophobicContact CB-CB 3.73Å; L196-I199 HydrophobicContact CB-CD1 3.87Å; L196-I199 HydrophobicContact CB-CG1 3.89Å; L196-I199 HydrophobicContact CD1-CD1 3.92Å; L196-I199 HydrophobicContact CD2-CD1 3.86Å; L196-I199 HydrophobicContact CG-CD1 4.07Å; L196-I199 WeakPolarHBondContact O-CA 3.29Å; L196-I199 WeakPolarHBondContact O-CB 3.3Å; L196-I199 PolarHBondContact O-N 2.85Å; I199-R201 PolarHBondContact O-N 2.95Å; I199-R201 VanDerWaalsContact O-N 3.15Å; I199-R202 PolarHBondContact O-N 3.49Å; I199-F203 HydrophobicContact CG2-CD2 3.24Å; I199-F203 HydrophobicContact CG2-CE2 3.2Å; I199-F203 HydrophobicContact CG2-CZ 4.49Å; I199-F203 WeakPolarHBondContact O-CD2 3.35Å; I199-F203 PolarHBondContact O-N 3.18Å
200V62.5Low77.9Confident46 Ų4686.6 Ų86.628%0.27941%0.406SS..Hα-helixtrans-54.7-35.3176.3176.70000112.2N192 I193 L196 R202N192-V200 HydrophobicContact CB-CG2 3.56Å; N192-V200 VanDerWaalsContact O-CG2 3.26Å; N192-V200 WeakPolarHBondContact O-CG2 3.35Å; I193-V200 HydrophobicContact CG1-CG2 4.25Å; L196-V200 PolarHBondContact O-N 3.39Å; V200-R202 VanDerWaalsContact C-N 3.26Å; V200-R202 PolarHBondContact O-N 3.22Å
201R64.2Low78.3Confident227 Ų22788.1 Ų88.186%0.85741%0.414SS*.THydrogen-bonded Turntrans-69.6-24.1178-67.1-175.570.8128.8-0.8113.2I199I199-R201 PolarHBondContact O-N 2.95Å; I199-R201 VanDerWaalsContact O-N 3.15Å
202R63.1Low78.9Confident217 Ų21785.9 Ų85.982%0.81940%0.403SS*.THydrogen-bonded Turntrans-90.9-34-178.5-172.2177.5-80.1170.9-5.6112.2I199 V200 R204I199-R202 PolarHBondContact O-N 3.49Å; V200-R202 VanDerWaalsContact C-N 3.26Å; V200-R202 PolarHBondContact O-N 3.22Å; R202-R204 PolarHBondContact O-N 2.99Å
203F66.9Low79.5Confident96 Ų9687.8 Ų87.842%0.42141%0.409SS..  trans-75.2107.1178.4-83.2-89.3000111.2I199 C207 Y208I199-F203 HydrophobicContact CG2-CD2 3.24Å; I199-F203 HydrophobicContact CG2-CE2 3.2Å; I199-F203 HydrophobicContact CG2-CZ 4.49Å; I199-F203 WeakPolarHBondContact O-CD2 3.35Å; I199-F203 PolarHBondContact O-N 3.18Å; F203-C207 HydrophobicContact CD1-CB 4.13Å; F203-Y208 HydrophobicContact CB-CE2 4.39Å
204R77.8Confident80.1Confident198 Ų19886.5 Ų86.575%0.74741%0.412SS*.  trans-70.9147.1168.2-68.6-171.7172.8114.2-2.5109.6R202 T206 C207R202-R204 PolarHBondContact O-N 2.99Å; R204-T206 PolarHBondContact O-N 3.33Å; R204-C207 PolarHBondContact O-N 3.29Å
205F82.7Confident80.7Confident46 Ų4688 Ų8820%0.20242%0.419CS..Hα-helixtrans-50.5-32.3174.9175.9-97.3000112.9V128 N131 I132 H135 W182 C207 Y208 S209V128-F205 HydrophobicContact CG1-CD2 4.33Å; N131-F205 HydrophobicContact CB-CD2 4.47Å; N131-F205 HydrophobicContact CB-CE2 4.11Å; N131-F205 HydrophobicContact CB-CZ 4.45Å; N131-F205 WeakPolarHBondContact ND2-CD1 3.22Å; N131-F205 WeakPolarHBondContact ND2-CE1 3.42Å; N131-F205 WeakPolarHBondContact ND2-CE2 3.49Å; N131-F205 WeakPolarHBondContact ND2-CZ 3.27Å; I132-F205 HydrophobicContact CG1-CD2 4.3Å; I132-F205 HydrophobicContact CG1-CE2 3.97Å; H135-F205 AromaticContact CD2-CZ 3.37Å; H135-F205 WeakPolarHBondContact CD2-CZ 3.36Å; H135-F205 AromaticContact NE2-CE1 3.75Å; H135-F205 AromaticContact NE2-CZ 3.43Å; H135-F205 WeakPolarHBondContact NE2-CZ 3.41Å; W182-F205 HydrophobicContact CH2-CZ 4.27Å; F205-C207 VanDerWaalsContact C-N 3.27Å; F205-C207 PolarHBondContact O-N 2.86Å; F205-Y208 WeakPolarHBondContact O-CB 3.3Å; F205-Y208 PolarHBondContact O-N 3.41Å; F205-Y208 VanDerWaalsContact O-N 3.09Å; F205-S209 PolarHBondContact O-N 2.99Å
206T86.1Confident81.6Confident83 Ų8383.9 Ų83.951%0.50940%0.401SS..Hα-helixtrans-52.5-40.7175.8-46.70000113.3R204 S209 I210R204-T206 PolarHBondContact O-N 3.33Å; T206-S209 PolarHBondContact O-N 3.45Å; T206-I210 HydrophobicContact CG2-CD1 4.08Å; T206-I210 WeakPolarHBondContact O-CG1 3.19Å; T206-I210 PolarHBondContact O-N 3.13Å
207C88.5Confident82.7Confident55 Ų5582.4 Ų82.437%0.37240%0.399SS..Hα-helixtrans-65.2-42.5179.1-62.10000111.4F203 R204 F205 S209 I210 I211F203-C207 HydrophobicContact CD1-CB 4.13Å; R204-C207 PolarHBondContact O-N 3.29Å; F205-C207 VanDerWaalsContact C-N 3.27Å; F205-C207 PolarHBondContact O-N 2.86Å; C207-S209 VanDerWaalsContact C-N 3.32Å; C207-S209 PolarHBondContact O-N 3.4Å; C207-I210 PolarHBondContact O-N 3.34Å; C207-I211 VanDerWaalsContact O-CG1 3.32Å; C207-I211 WeakPolarHBondContact O-CG1 3.31Å; C207-I211 PolarHBondContact O-N 3.02Å; C207-I211 VanDerWaalsContact O-N 3.1Å
208Y91Very high84Confident12 Ų1280.8 Ų80.85%0.04740%0.395CS..Hα-helixtrans-62-41.5174.6-67.6-52.4000111.6I185 I188 N192 F203 F205 I210 I211 G212I185-Y208 WeakPolarHBondContact CD1-O 3.22Å; I185-Y208 HydrophobicContact CG2-CD1 3.87Å; I185-Y208 HydrophobicContact CG2-CG 4.1Å; I188-Y208 HydrophobicContact CG2-CE1 4.26Å; N192-Y208 PolarHBondContact ND2-OH 3.49Å; F203-Y208 HydrophobicContact CB-CE2 4.39Å; F205-Y208 WeakPolarHBondContact O-CB 3.3Å; F205-Y208 PolarHBondContact O-N 3.41Å; F205-Y208 VanDerWaalsContact O-N 3.09Å; Y208-I210 PolarHBondContact O-N 3.36Å; Y208-I211 PolarHBondContact O-N 2.86Å; Y208-G212 PolarHBondContact O-N 2.84Å
209S90.9Very high85.4Confident32 Ų3275 Ų7522%0.22437%0.371CS..Hα-helixtrans-65.1-38.7178.3-168.80000113.1F205 T206 C207 W213F205-S209 PolarHBondContact O-N 2.99Å; T206-S209 PolarHBondContact O-N 3.45Å; C207-S209 VanDerWaalsContact C-N 3.32Å; C207-S209 PolarHBondContact O-N 3.4Å; S209-W213 PolarHBondContact O-N 3.24Å
210I92.7Very high86.7Confident115 Ų11572.4 Ų72.459%0.5936%0.358SS*.Hα-helixtrans-66.1-43.8176.9-68.5166.7000110.2T206 C207 Y208 G214T206-I210 HydrophobicContact CG2-CD1 4.08Å; T206-I210 WeakPolarHBondContact O-CG1 3.19Å; T206-I210 PolarHBondContact O-N 3.13Å; C207-I210 PolarHBondContact O-N 3.34Å; Y208-I210 PolarHBondContact O-N 3.36Å; I210-G214 WeakPolarHBondContact O-CA 3.36Å; I210-G214 PolarHBondContact O-N 3.26Å
211I92.6Very high88.3Confident79 Ų7973.8 Ų73.841%0.40537%0.369SS..Hα-helixtrans-66.8-44.9179.1-66.3168.7000110.6I185 C207 Y208 W213 I215I185-I211 HydrophobicContact CD1-CG2 4.33Å; C207-I211 VanDerWaalsContact O-CG1 3.32Å; C207-I211 WeakPolarHBondContact O-CG1 3.31Å; C207-I211 PolarHBondContact O-N 3.02Å; C207-I211 VanDerWaalsContact O-N 3.1Å; Y208-I211 PolarHBondContact O-N 2.86Å; I211-W213 VanDerWaalsContact C-N 3.34Å; I211-W213 PolarHBondContact O-N 3.23Å; I211-I215 HydrophobicContact CG2-CD1 3.77Å; I211-I215 PolarHBondContact O-N 3.41Å
212G94.4Very high89.7Confident0 Ų066 Ų660%035%0.349CS..Hα-helixtrans-71.8-22.1-172.500000115.5W182 Y208 P216W182-G212 PolarHBondContact NE1-O 3.47Å; Y208-G212 PolarHBondContact O-N 2.84Å; G212-P216 VanDerWaalsContact O-CG 3.32Å; G212-P216 WeakPolarHBondContact O-CG 3.25Å
213W97.2Very high91.2Very high51 Ų5155.6 Ų55.619%0.19331%0.31CS..Hα-helixtrans-112.2-31.8175.6-64.8114.4000113H135 I138 A139 F174 A178 W182 S209 I211 A217H135-W213 AromaticContact CE1-NE1 3.85Å; H135-W213 AromaticContact ND1-CE2 3.87Å; H135-W213 AromaticContact ND1-CZ2 3.91Å; H135-W213 AromaticContact ND1-NE1 3.22Å; H135-W213 PolarHBondContact ND1-NE1 2.93Å; I138-W213 HydrophobicContact CG2-CH2 4.08Å; I138-W213 HydrophobicContact CG2-CZ2 4.17Å; A139-W213 HydrophobicContact CB-CH2 3.9Å; A139-W213 HydrophobicContact CB-CZ3 4.34Å; F174-W213 AromaticContact CE1-CE3 3.85Å; F174-W213 HydrophobicContact CE1-CE3 3.85Å; F174-W213 AromaticContact CE1-CZ3 3.73Å; F174-W213 HydrophobicContact CE1-CZ3 3.73Å; F174-W213 HydrophobicContact CE2-CE3 4.32Å; F174-W213 HydrophobicContact CZ-CD2 4.49Å; F174-W213 AromaticContact CZ-CE3 3.4Å; F174-W213 HydrophobicContact CZ-CE3 3.4Å; F174-W213 AromaticContact CZ-CZ3 3.8Å; F174-W213 HydrophobicContact CZ-CZ3 3.8Å; A178-W213 HydrophobicContact CB-CE3 4.05Å; A178-W213 HydrophobicContact CB-CZ3 3.72Å; W182-W213 AromaticContact CE2-CE2 3.85Å; W182-W213 AromaticContact CE2-NE1 3.66Å; W182-W213 AromaticContact CZ2-CD1 3.6Å; W182-W213 AromaticContact CZ2-CE2 3.94Å; W182-W213 HydrophobicContact CZ2-CG 4.39Å; W182-W213 AromaticContact CZ2-NE1 3.26Å; W182-W213 VanDerWaalsContact CZ2-NE1 3.26Å; W182-W213 AromaticContact NE1-CD2 3.55Å; W182-W213 AromaticContact NE1-CE2 3.27Å; W182-W213 VanDerWaalsContact NE1-CE2 3.27Å; W182-W213 AromaticContact NE1-CE3 4Å; W182-W213 AromaticContact NE1-CZ2 3.53Å; W182-W213 AromaticContact NE1-NE1 3.55Å; S209-W213 PolarHBondContact O-N 3.24Å; I211-W213 VanDerWaalsContact C-N 3.34Å; I211-W213 PolarHBondContact O-N 3.23Å; W213-A217 VanDerWaalsContact O-CB 3.29Å; W213-A217 WeakPolarHBondContact O-CB 3.38Å; W213-A217 PolarHBondContact O-N 3.25Å
214G95.8Very high92.5Very high37 Ų3752 Ų5238%0.38130%0.297SS..Hα-helixtrans-69.8-44-177.600000113.3I210 A217 A218I210-G214 WeakPolarHBondContact O-CA 3.36Å; I210-G214 PolarHBondContact O-N 3.26Å; G214-A217 PolarHBondContact O-N 3.5Å; G214-A218 WeakPolarHBondContact O-CB 3.3Å; G214-A218 PolarHBondContact O-N 3.25Å
215I94.6Very high93.2Very high85 Ų8547.7 Ų47.744%0.43629%0.288SS..Hα-helixtrans-62.8-49.7177-65.1176.3000111I211 A217 A218 L219I211-I215 HydrophobicContact CG2-CD1 3.77Å; I211-I215 PolarHBondContact O-N 3.41Å; I215-A217 VanDerWaalsContact C-N 3.32Å; I215-A217 PolarHBondContact O-N 2.86Å; I215-A218 PolarHBondContact O-N 2.9Å; I215-L219 HydrophobicContact CG2-CD1 3.77Å; I215-L219 HydrophobicContact CG2-CG 4.46Å; I215-L219 WeakPolarHBondContact O-CG 3.36Å; I215-L219 PolarHBondContact O-N 2.72Å
216P96.6Very high93.7Very high0 Ų047.7 Ų47.70%030%0.297CS..Hα-helixtrans-55.6-42.6172.3-27.933.3000114.3F174 I177 A178 S181 G212 T220F174-P216 HydrophobicContact CD2-CB 3.8Å; F174-P216 HydrophobicContact CE2-CB 3.75Å; I177-P216 HydrophobicContact CB-CB 4.06Å; I177-P216 HydrophobicContact CG2-CB 3.94Å; I177-P216 HydrophobicContact CG2-CG 4.06Å; A178-P216 HydrophobicContact CB-CB 4.09Å; A178-P216 HydrophobicContact CB-CG 4.04Å; S181-P216 WeakPolarHBondContact OG-CG 3.34Å; G212-P216 VanDerWaalsContact O-CG 3.32Å; G212-P216 WeakPolarHBondContact O-CG 3.25Å; P216-T220 VanDerWaalsContact O-CB 3.31Å; P216-T220 WeakPolarHBondContact O-CB 3.37Å; P216-T220 PolarHBondContact O-N 2.79Å; P216-T220 PolarHBondContact O-OG1 3.33Å
217A96.7Very high93.9Very high38 Ų3844.2 Ų44.231%0.31427%0.274SS..Hα-helixtrans-63.3-47.3179.400000111.2F174 W213 G214 I215 T220 C221F174-A217 HydrophobicContact CD2-CB 4.49Å; F174-A217 HydrophobicContact CE2-CB 4.01Å; W213-A217 VanDerWaalsContact O-CB 3.29Å; W213-A217 WeakPolarHBondContact O-CB 3.38Å; W213-A217 PolarHBondContact O-N 3.25Å; G214-A217 PolarHBondContact O-N 3.5Å; I215-A217 VanDerWaalsContact C-N 3.32Å; I215-A217 PolarHBondContact O-N 2.86Å; A217-T220 PolarHBondContact O-N 3.45Å; A217-C221 WeakPolarHBondContact O-CB 3.27Å; A217-C221 PolarHBondContact O-N 2.99Å; A217-C221 PolarHBondContact O-SG 3.46Å
218A96.3Very high94Very high57 Ų5742.9 Ų42.947%0.47127%0.266SS..Hα-helixtrans-60.2-49.1179.100000111.9G214 I215 T220 C221 S222G214-A218 WeakPolarHBondContact O-CB 3.3Å; G214-A218 PolarHBondContact O-N 3.25Å; I215-A218 PolarHBondContact O-N 2.9Å; A218-T220 PolarHBondContact O-N 3.01Å; A218-C221 PolarHBondContact O-N 2.73Å; A218-S222 PolarHBondContact O-N 3.36Å; A218-S222 PolarHBondContact O-OG 3.15Å
219L95.6Very high94Very high38 Ų3848.1 Ų48.120%0.19930%0.299CS..Hα-helixtrans-63.7-42.1179.6-70.2168.1000112.4I177 I215 S222 W223I177-L219 HydrophobicContact CD1-CB 3.82Å; I177-L219 HydrophobicContact CG2-CD1 3.99Å; I215-L219 HydrophobicContact CG2-CD1 3.77Å; I215-L219 HydrophobicContact CG2-CG 4.46Å; I215-L219 WeakPolarHBondContact O-CG 3.36Å; I215-L219 PolarHBondContact O-N 2.72Å; L219-S222 PolarHBondContact O-N 3.46Å; L219-W223 WeakPolarHBondContact O-CB 3.49Å; L219-W223 PolarHBondContact O-N 3.45Å
220T95.1Very high93.8Very high9 Ų952.4 Ų52.46%0.05531%0.313CS..Hα-helixtrans-67.3-40.5178.3-51.80000111.3C170 A173 F174 P216 A217 A218 W223 A224C170-T220 WeakPolarHBondContact O-CG2 3.25Å; A173-T220 HydrophobicContact CB-CG2 4.11Å; F174-T220 VanDerWaalsContact CA-OG1 3.28Å; F174-T220 WeakPolarHBondContact CA-OG1 3.08Å; F174-T220 HydrophobicContact CB-CG2 4.03Å; P216-T220 VanDerWaalsContact O-CB 3.31Å; P216-T220 WeakPolarHBondContact O-CB 3.37Å; P216-T220 PolarHBondContact O-N 2.79Å; P216-T220 PolarHBondContact O-OG1 3.33Å; A217-T220 PolarHBondContact O-N 3.45Å; A218-T220 PolarHBondContact O-N 3.01Å; T220-W223 HydrophobicContact CG2-CE3 4.45Å; T220-W223 PolarHBondContact O-N 2.93Å; T220-A224 WeakPolarHBondContact O-CB 3.34Å; T220-A224 PolarHBondContact O-N 3.34Å
221C95.3Very high93.3Very high75 Ų7549.2 Ų49.251%0.50730%0.298SS..Hα-helixtrans-62.9-44.6175.4-730000111.3A217 A218 W223 A224 I225A217-C221 WeakPolarHBondContact O-CB 3.27Å; A217-C221 PolarHBondContact O-N 2.99Å; A217-C221 PolarHBondContact O-SG 3.46Å; A218-C221 PolarHBondContact O-N 2.73Å; C221-W223 VanDerWaalsContact C-N 3.31Å; C221-W223 PolarHBondContact O-N 3.44Å; C221-A224 PolarHBondContact O-N 3.34Å; C221-I225 WeakPolarHBondContact O-CB 3.3Å; C221-I225 WeakPolarHBondContact O-CD1 3.38Å; C221-I225 WeakPolarHBondContact O-CG1 3.11Å; C221-I225 PolarHBondContact O-N 3.02Å
222S94.7Very high92.6Very high62 Ų6246.7 Ų46.743%0.43429%0.291SS..Hα-helixtrans-58.7-43.3175.2-64.30000112A218 L219 A226A218-S222 PolarHBondContact O-N 3.36Å; A218-S222 PolarHBondContact O-OG 3.15Å; L219-S222 PolarHBondContact O-N 3.46Å; S222-A226 WeakPolarHBondContact O-CB 3.44Å; S222-A226 PolarHBondContact O-N 2.85Å
223W94.4Very high91.9Very high0 Ų053.1 Ų53.10%032%0.321CS..Hα-helixtrans-63.9-48.9175.217377.4000112.7T169 A173 L219 T220 C221 I225 A226 K227 W237 P240 E246 V250T169-W223 HydrophobicContact CG2-CH2 3.81Å; A173-W223 HydrophobicContact CB-CE3 4.09Å; A173-W223 HydrophobicContact CB-CH2 4.45Å; A173-W223 HydrophobicContact CB-CZ3 3.93Å; L219-W223 WeakPolarHBondContact O-CB 3.49Å; L219-W223 PolarHBondContact O-N 3.45Å; T220-W223 HydrophobicContact CG2-CE3 4.45Å; T220-W223 PolarHBondContact O-N 2.93Å; C221-W223 VanDerWaalsContact C-N 3.31Å; C221-W223 PolarHBondContact O-N 3.44Å; W223-I225 VanDerWaalsContact C-N 3.31Å; W223-I225 PolarHBondContact O-N 3.38Å; W223-A226 PolarHBondContact O-N 2.85Å; W223-K227 HydrophobicContact CZ2-CD 4.43Å; W223-K227 WeakPolarHBondContact O-CB 3.35Å; W223-K227 PolarHBondContact O-N 3.1Å; W223-W237 HydrophobicContact CH2-CE3 4.4Å; W223-W237 HydrophobicContact CZ3-CE3 4.44Å; W223-P240 HydrophobicContact CZ2-CB 4.17Å; W223-P240 HydrophobicContact CZ2-CG 4.46Å; W223-E246 VanDerWaalsContact CD1-O 3.25Å; W223-V250 HydrophobicContact CB-CG2 3.51Å; W223-V250 HydrophobicContact CD2-CG2 4.24Å; W223-V250 HydrophobicContact CG-CG2 3.49Å; W223-V250 VanDerWaalsContact CG-CG2 3.49Å
224A93.2Very high90.8Very high19 Ų1956.8 Ų56.816%0.15734%0.343CS..Hα-helixtrans-61.6-39.1-179.800000111.8T220 C221 S228 W237T220-A224 WeakPolarHBondContact O-CB 3.34Å; T220-A224 PolarHBondContact O-N 3.34Å; C221-A224 PolarHBondContact O-N 3.34Å; A224-S228 VanDerWaalsContact O-CB 3.29Å; A224-S228 WeakPolarHBondContact O-CB 3.38Å; A224-S228 PolarHBondContact O-N 3.42Å; A224-S228 PolarHBondContact O-OG 2.84Å; A224-W237 HydrophobicContact CB-CH2 4.46Å; A224-W237 HydrophobicContact CB-CZ3 4.03Å; A224-W237 WeakPolarHBondContact O-CH2 3.49Å
225I93.6Very high90Very high108 Ų10860.3 Ų60.355%0.55435%0.349SS*.Hα-helixtrans-63.9-50.3174.4-67.2164.8000109.8C221 W223 K227 S228 V229C221-I225 WeakPolarHBondContact O-CB 3.3Å; C221-I225 WeakPolarHBondContact O-CD1 3.38Å; C221-I225 WeakPolarHBondContact O-CG1 3.11Å; C221-I225 PolarHBondContact O-N 3.02Å; W223-I225 VanDerWaalsContact C-N 3.31Å; W223-I225 PolarHBondContact O-N 3.38Å; I225-K227 VanDerWaalsContact C-N 3.32Å; I225-K227 PolarHBondContact O-N 3Å; I225-S228 WeakPolarHBondContact CA-OG 3.38Å; I225-S228 PolarHBondContact O-N 3.44Å; I225-S228 VanDerWaalsContact O-N 3.16Å; I225-S228 PolarHBondContact O-OG 3.39Å; I225-V229 WeakPolarHBondContact O-CG2 3.27Å; I225-V229 PolarHBondContact O-N 2.84Å
226A93Very high89.5Confident46 Ų4658.9 Ų58.938%0.3834%0.342SS..Hα-helixtrans-58.5-42.8178.400000112.2S222 W223 K230 E246S222-A226 WeakPolarHBondContact O-CB 3.44Å; S222-A226 PolarHBondContact O-N 2.85Å; W223-A226 PolarHBondContact O-N 2.85Å; A226-K230 PolarHBondContact O-N 2.98Å; A226-E246 HydrophobicContact CB-CB 4.23Å
227K90.3Very high89.1Confident10 Ų1059.7 Ų59.74%0.04335%0.345CS..Hα-helixtrans-63.1-44.9175.6-159.573.4167-173.20111.2W223 I225 V229 K230 L231 W237 D244 E246W223-K227 HydrophobicContact CZ2-CD 4.43Å; W223-K227 WeakPolarHBondContact O-CB 3.35Å; W223-K227 PolarHBondContact O-N 3.1Å; I225-K227 VanDerWaalsContact C-N 3.32Å; I225-K227 PolarHBondContact O-N 3Å; K227-V229 PolarHBondContact O-N 2.96Å; K227-K230 PolarHBondContact O-N 3.15Å; K227-L231 PolarHBondContact O-N 3.01Å; K227-W237 HydrophobicContact CB-CD2 4.37Å; K227-W237 HydrophobicContact CB-CE3 4.45Å; K227-W237 HydrophobicContact CB-CH2 4.47Å; K227-W237 HydrophobicContact CB-CZ2 4.41Å; K227-W237 HydrophobicContact CB-CZ3 4.47Å; K227-W237 HydrophobicContact CG-CD2 3.77Å; K227-W237 HydrophobicContact CG-CE3 4.2Å; K227-W237 HydrophobicContact CG-CG 3.94Å; K227-W237 HydrophobicContact CG-CZ2 4.48Å; K227-D244 IonicContact NZ-OD2 3.32Å; K227-D244 PolarHBondContact NZ-OD2 2.91Å; K227-E246 HydrophobicContact CD-CG 3.4Å; K227-E246 VanDerWaalsContact CD-OE1 3.31Å; K227-E246 WeakPolarHBondContact CD-OE1 3.41Å; K227-E246 WeakPolarHBondContact CE-OE1 3.49Å; K227-E246 IonicContact NZ-OE1 3.33Å; K227-E246 PolarHBondContact NZ-OE1 3.33Å
228S89.8Confident88.4Confident28 Ų2860.6 Ų60.620%0.19635%0.352CS..Hα-helixtrans-65.4-36-178.971.90000113.7A224 I225 G232A224-S228 VanDerWaalsContact O-CB 3.29Å; A224-S228 WeakPolarHBondContact O-CB 3.38Å; A224-S228 PolarHBondContact O-N 3.42Å; A224-S228 PolarHBondContact O-OG 2.84Å; I225-S228 WeakPolarHBondContact CA-OG 3.38Å; I225-S228 PolarHBondContact O-N 3.44Å; I225-S228 VanDerWaalsContact O-N 3.16Å; I225-S228 PolarHBondContact O-OG 3.39Å; S228-G232 WeakPolarHBondContact O-CA 2.97Å; S228-G232 PolarHBondContact O-N 3.14Å
229V90.6Very high87.8Confident122 Ų12258.2 Ų58.274%0.73933%0.332SS*.Hα-helixtrans-69.8-36.3178172.20000111.3I225 K227I225-V229 WeakPolarHBondContact O-CG2 3.27Å; I225-V229 PolarHBondContact O-N 2.84Å; K227-V229 PolarHBondContact O-N 2.96Å
230K86.7Confident87.3Confident121 Ų12156.6 Ų56.653%0.52632%0.323SS..Hα-helixtrans-84.8-44-174.2-170.4-177.2167.6-172.10113.8A226 K227 E246A226-K230 PolarHBondContact O-N 2.98Å; K227-K230 PolarHBondContact O-N 3.15Å; K230-E246 IonicContact NZ-OE2 2.67Å; K230-E246 PolarHBondContact NZ-OE2 3.43Å
231L82.6Confident86.6Confident49 Ų4957.3 Ų57.326%0.25733%0.327SS..Hα-helixtrans-102-12.3-177.1-87.873.2000112.6K227 H235K227-L231 PolarHBondContact O-N 3.01Å; L231-H235 HydrophobicContact CB-CB 4.17Å; L231-H235 HydrophobicContact CD2-CB 4.04Å; L231-H235 HydrophobicContact CG-CB 4.4Å; L231-H235 PolarHBondContact O-CD2 3.44Å
232G79.1Confident85.7Confident26 Ų2656.1 Ų56.127%0.26832%0.318SS..THydrogen-bonded Turntrans65.2-171.6-168.200000112.8S228 W237S228-G232 WeakPolarHBondContact O-CA 2.97Å; S228-G232 PolarHBondContact O-N 3.14Å; G232-W237 PolarHBondContact O-NE1 2.9Å
233H78.8Confident84.7Confident134 Ų13458.2 Ų58.262%0.6233%0.333SS*.THydrogen-bonded Turntrans-89.7-8.7-179-58.9-64.8000113.9
234I74.3Confident84Confident128 Ų12859 Ų5966%0.65634%0.337SS*.THydrogen-bonded Turntrans-84.9-28.3-171.4-55.4170.2000111Q162Q162-I234 PolarHBondContact NE2-O 3.37Å; Q162-I234 PolarHBondContact OE1-O 3.13Å
235H79.2Confident83.6Confident111 Ų11162.1 Ų62.151%0.51436%0.355SS..SBendtrans-83.6148.6178-65.2-53.6000112N166 L231 W237N166-H235 PolarHBondContact ND2-O 3.22Å; L231-H235 HydrophobicContact CB-CB 4.17Å; L231-H235 HydrophobicContact CD2-CB 4.04Å; L231-H235 HydrophobicContact CG-CB 4.4Å; L231-H235 PolarHBondContact O-CD2 3.44Å; H235-W237 VanDerWaalsContact O-CD1 3.29Å; H235-W237 PolarHBondContact O-N 2.9Å
236L83.5Confident83.3Confident56 Ų5658 Ų5829%0.29333%0.334SS..  trans-72.4119.8174.9-162.374.2000109.1N165 A238 T399N165-L236 HydrophobicContact CB-CD1 3.48Å; N165-L236 VanDerWaalsContact CB-CD1 3.48Å; N165-L236 WeakPolarHBondContact ND2-CD1 3.48Å; N165-L236 WeakPolarHBondContact ND2-CG 3.39Å; L236-A238 PolarHBondContact O-N 3.4Å; L236-T399 HydrophobicContact CD2-CG2 4.46Å
237W87.6Confident82.9Confident17 Ų1755.8 Ų55.86%0.06432%0.316CS..  trans-79.7115.1177.6-65.55.4000109.5N165 N166 T169 C170 W223 A224 K227 G232 H235N165-W237 PolarHBondContact ND2-O 2.64Å; N166-W237 HydrophobicContact CB-CB 4.39Å; N166-W237 HydrophobicContact CB-CD2 3.93Å; N166-W237 HydrophobicContact CB-CE3 4.11Å; N166-W237 HydrophobicContact CB-CG 4.09Å; N166-W237 WeakPolarHBondContact OD1-CB 3.49Å; N166-W237 PolarHBondContact OD1-N 3.27Å; T169-W237 HydrophobicContact CG2-CB 4.37Å; T169-W237 WeakPolarHBondContact CG2-O 3.3Å; T169-W237 PolarHBondContact OG1-O 3.32Å; C170-W237 VanDerWaalsContact SG-CZ3 3.5Å; W223-W237 HydrophobicContact CH2-CE3 4.4Å; W223-W237 HydrophobicContact CZ3-CE3 4.44Å; A224-W237 HydrophobicContact CB-CH2 4.46Å; A224-W237 HydrophobicContact CB-CZ3 4.03Å; A224-W237 WeakPolarHBondContact O-CH2 3.49Å; K227-W237 HydrophobicContact CB-CD2 4.37Å; K227-W237 HydrophobicContact CB-CE3 4.45Å; K227-W237 HydrophobicContact CB-CH2 4.47Å; K227-W237 HydrophobicContact CB-CZ2 4.41Å; K227-W237 HydrophobicContact CB-CZ3 4.47Å; K227-W237 HydrophobicContact CG-CD2 3.77Å; K227-W237 HydrophobicContact CG-CE3 4.2Å; K227-W237 HydrophobicContact CG-CG 3.94Å; K227-W237 HydrophobicContact CG-CZ2 4.48Å; G232-W237 PolarHBondContact O-NE1 2.9Å; H235-W237 VanDerWaalsContact O-CD1 3.29Å; H235-W237 PolarHBondContact O-N 2.9Å
238A83.7Confident82.9Confident56 Ų5659 Ų5946%0.46333%0.333SS..PPolyproline II helixtrans-75.8163.916700000111.1T169 L236T169-A238 WeakPolarHBondContact CG2-O 3.28Å; L236-A238 PolarHBondContact O-N 3.4Å
239E82.8Confident82.9Confident8 Ų861.5 Ų61.54%0.03734%0.343CS..PPolyproline II helixtrans-57147.8174.3-57.5179.7-174.300111.1L150 L172 T241L150-E239 HydrophobicContact CD2-CG 4.42Å; L172-E239 HydrophobicContact CD2-CG 3.84Å; L172-E239 WeakPolarHBondContact CD2-OE1 3.13Å; E239-T241 PolarHBondContact O-N 2.68Å
240P85.4Confident82.8Confident3 Ų355.7 Ų55.72%0.01931%0.308CS..PPolyproline II helixtrans-65121.1177.425-33.4000111.1A173 M176 W223 V250A173-P240 HydrophobicContact CB-CG 4.19Å; M176-P240 HydrophobicContact CE-CG 3.5Å; W223-P240 HydrophobicContact CZ2-CB 4.17Å; W223-P240 HydrophobicContact CZ2-CG 4.46Å; P240-V250 HydrophobicContact CB-CB 3.93Å; P240-V250 HydrophobicContact CB-CG1 4.04Å; P240-V250 HydrophobicContact CB-CG2 4.29Å; P240-V250 HydrophobicContact CG-CB 4.27Å; P240-V250 HydrophobicContact CG-CG1 3.82Å
241T80.3Confident82.9Confident24 Ų2450.3 Ų50.315%0.14729%0.285CS..  trans-120.3175.5176.569.60000110.7E239 S243 D244 G247E239-T241 PolarHBondContact O-N 2.68Å; T241-S243 VanDerWaalsContact C-N 3.31Å; T241-S243 PolarHBondContact OG1-N 3.41Å; T241-S243 PolarHBondContact OG1-OG 3.29Å; T241-D244 VanDerWaalsContact C-OD1 3.28Å; T241-D244 VanDerWaalsContact CA-OD1 3.28Å; T241-D244 WeakPolarHBondContact CA-OD1 3.39Å; T241-D244 WeakPolarHBondContact CB-OD1 3.39Å; T241-D244 PolarHBondContact N-OD1 3.45Å; T241-D244 PolarHBondContact OG1-OD1 3.36Å; T241-G247 CarbonylContact O-C 3.45Å; T241-G247 VanDerWaalsContact O-CA 3.32Å; T241-G247 WeakPolarHBondContact O-CA 3.28Å
242T76.1Confident83.1Confident51 Ų5150.9 Ų50.931%0.31329%0.291SS..SBendtrans-78.7-18.2170.250.40000112.6D244 V251 Q391T242-D244 VanDerWaalsContact C-N 3.34Å; T242-V251 HydrophobicContact CG2-CB 4.2Å; T242-V251 HydrophobicContact CG2-CG1 3.73Å; T242-V251 HydrophobicContact CG2-CG2 4.34Å; T242-Q391 HydrophobicContact CG2-CB 4.28Å
243S74.2Confident83.7Confident106 Ų10650.4 Ų50.474%0.74128%0.283SS*.SBendtrans-72.7-28.9-179.373.50000112.5T241T241-S243 VanDerWaalsContact C-N 3.31Å; T241-S243 PolarHBondContact OG1-N 3.41Å; T241-S243 PolarHBondContact OG1-OG 3.29Å
244D79.9Confident84.2Confident16 Ų1644.5 Ų44.59%0.08626%0.257CS..SBendtrans-95.6124.2174.965.8-59.1000110.5K227 T241 T242 E246 G247 I248K227-D244 IonicContact NZ-OD2 3.32Å; K227-D244 PolarHBondContact NZ-OD2 2.91Å; T241-D244 VanDerWaalsContact C-OD1 3.28Å; T241-D244 VanDerWaalsContact CA-OD1 3.28Å; T241-D244 WeakPolarHBondContact CA-OD1 3.39Å; T241-D244 WeakPolarHBondContact CB-OD1 3.39Å; T241-D244 PolarHBondContact N-OD1 3.45Å; T241-D244 PolarHBondContact OG1-OD1 3.36Å; T242-D244 VanDerWaalsContact C-N 3.34Å; D244-E246 HydrophobicContact CB-CG 4.47Å; D244-E246 PolarHBondContact O-N 2.79Å; D244-E246 VanDerWaalsContact O-N 3.11Å; D244-E246 WeakPolarHBondContact OD2-CG 3.45Å; D244-G247 WeakPolarHBondContact O-CA 3.2Å; D244-G247 PolarHBondContact O-N 2.94Å; D244-G247 WeakPolarHBondContact OD2-CA 3.36Å; D244-G247 PolarHBondContact OD2-N 2.82Å; D244-G247 VanDerWaalsContact OD2-N 3.16Å; D244-I248 PolarHBondContact O-N 3Å
245P85.1Confident84.9Confident84 Ų8440.5 Ų40.555%0.54524%0.236SC..THydrogen-bonded Turntrans-62.1-27.2-173.524.3-34.4000112.8I248P245-I248 HydrophobicContact CB-CD1 4.48Å
246E86.4Confident85.4Confident21 Ų2140.1 Ų40.110%0.09824%0.237CC..THydrogen-bonded Turntrans-71.4-34.6172.562.4-80-167.900113.2W223 A226 K227 K230 D244 I248W223-E246 VanDerWaalsContact CD1-O 3.25Å; A226-E246 HydrophobicContact CB-CB 4.23Å; K227-E246 HydrophobicContact CD-CG 3.4Å; K227-E246 VanDerWaalsContact CD-OE1 3.31Å; K227-E246 WeakPolarHBondContact CD-OE1 3.41Å; K227-E246 WeakPolarHBondContact CE-OE1 3.49Å; K227-E246 IonicContact NZ-OE1 3.33Å; K227-E246 PolarHBondContact NZ-OE1 3.33Å; K230-E246 IonicContact NZ-OE2 2.67Å; K230-E246 PolarHBondContact NZ-OE2 3.43Å; D244-E246 HydrophobicContact CB-CG 4.47Å; D244-E246 PolarHBondContact O-N 2.79Å; D244-E246 VanDerWaalsContact O-N 3.11Å; D244-E246 WeakPolarHBondContact OD2-CG 3.45Å; E246-I248 VanDerWaalsContact C-N 3.3Å; E246-I248 PolarHBondContact O-N 3.05Å
247G85.4Confident85.7Confident0 Ų038.3 Ų38.30%023%0.228CC..Hα-helixtrans-68.4-24.3176.300000114.1T241 D244 L249 V250 V251T241-G247 CarbonylContact O-C 3.45Å; T241-G247 VanDerWaalsContact O-CA 3.32Å; T241-G247 WeakPolarHBondContact O-CA 3.28Å; D244-G247 WeakPolarHBondContact O-CA 3.2Å; D244-G247 PolarHBondContact O-N 2.94Å; D244-G247 WeakPolarHBondContact OD2-CA 3.36Å; D244-G247 PolarHBondContact OD2-N 2.82Å; D244-G247 VanDerWaalsContact OD2-N 3.16Å; G247-L249 PolarHBondContact O-N 3.48Å; G247-V250 PolarHBondContact O-N 3.07Å; G247-V251 PolarHBondContact O-N 3.19Å
248I88.6Confident85.6Confident78 Ų7837.8 Ų37.840%0.423%0.227SC..Hα-helixtrans-53.1-39.5177.6-64.5177.2000111.9D244 P245 E246 V250 T252D244-I248 PolarHBondContact O-N 3Å; P245-I248 HydrophobicContact CB-CD1 4.48Å; E246-I248 VanDerWaalsContact C-N 3.3Å; E246-I248 PolarHBondContact O-N 3.05Å; I248-V250 PolarHBondContact O-N 3.15Å; I248-T252 WeakPolarHBondContact O-CB 3.29Å; I248-T252 PolarHBondContact O-N 2.93Å; I248-T252 PolarHBondContact O-OG1 2.89Å
249L89.8Confident85.8Confident80 Ų8037.5 Ų37.542%0.41922%0.224SC..Hα-helixtrans-59.3-46.9179.1178.566.5000111.5G247 S253G247-L249 PolarHBondContact O-N 3.48Å; L249-S253 WeakPolarHBondContact O-CB 3.31Å; L249-S253 PolarHBondContact O-N 3.35Å; L249-S253 VanDerWaalsContact O-N 3.14Å
250V89.6Confident86.1Confident0 Ų040 Ų400%024%0.24CC..Hα-helixtrans-68-51-178.7173.20000110I177 W223 P240 G247 I248 T252 S253 I254I177-V250 HydrophobicContact CD1-CB 4.47Å; I177-V250 HydrophobicContact CD1-CG1 3.78Å; I177-V250 HydrophobicContact CD1-CG2 4.25Å; I177-V250 HydrophobicContact CG1-CG1 3.86Å; W223-V250 HydrophobicContact CB-CG2 3.51Å; W223-V250 HydrophobicContact CD2-CG2 4.24Å; W223-V250 HydrophobicContact CG-CG2 3.49Å; W223-V250 VanDerWaalsContact CG-CG2 3.49Å; P240-V250 HydrophobicContact CB-CB 3.93Å; P240-V250 HydrophobicContact CB-CG1 4.04Å; P240-V250 HydrophobicContact CB-CG2 4.29Å; P240-V250 HydrophobicContact CG-CB 4.27Å; P240-V250 HydrophobicContact CG-CG1 3.82Å; G247-V250 PolarHBondContact O-N 3.07Å; I248-V250 PolarHBondContact O-N 3.15Å; V250-T252 PolarHBondContact O-N 3.5Å; V250-S253 PolarHBondContact O-N 3.47Å; V250-S253 PolarHBondContact O-OG 2.82Å; V250-I254 HydrophobicContact CG1-CD1 4.07Å; V250-I254 WeakPolarHBondContact O-CG1 2.82Å; V250-I254 PolarHBondContact O-N 3.47Å; V250-I254 VanDerWaalsContact O-N 3.15Å
251V88.1Confident86.2Confident8 Ų840 Ų405%0.04824%0.24CC..Hα-helixtrans-60.8-48.6-178.2179.80000110.5T242 G247 S253 I254 L255T242-V251 HydrophobicContact CG2-CB 4.2Å; T242-V251 HydrophobicContact CG2-CG1 3.73Å; T242-V251 HydrophobicContact CG2-CG2 4.34Å; G247-V251 PolarHBondContact O-N 3.19Å; V251-S253 VanDerWaalsContact C-N 3.29Å; V251-S253 PolarHBondContact O-N 2.85Å; V251-I254 WeakPolarHBondContact O-CB 3.33Å; V251-I254 PolarHBondContact O-N 3.34Å; V251-L255 HydrophobicContact CG1-CD1 4.42Å; V251-L255 HydrophobicContact CG1-CG 4.35Å; V251-L255 WeakPolarHBondContact O-CG 3.38Å; V251-L255 PolarHBondContact O-N 2.84Å
252T87.6Confident86.3Confident62 Ų6242.4 Ų42.438%0.3825%0.248SC..Hα-helixtrans-58.4-40.7179.3-57.30000111.9I248 V250 I254 L255 I256I248-T252 WeakPolarHBondContact O-CB 3.29Å; I248-T252 PolarHBondContact O-N 2.93Å; I248-T252 PolarHBondContact O-OG1 2.89Å; V250-T252 PolarHBondContact O-N 3.5Å; T252-I254 VanDerWaalsContact C-N 3.3Å; T252-I254 PolarHBondContact O-N 2.82Å; T252-L255 PolarHBondContact O-N 3.21Å; T252-I256 HydrophobicContact CG2-CD1 3.92Å; T252-I256 HydrophobicContact CG2-CG1 4.43Å; T252-I256 WeakPolarHBondContact O-CG1 3.31Å; T252-I256 PolarHBondContact O-N 3.3Å
253S91.5Very high86.8Confident15 Ų1545 Ų4511%0.10526%0.26CS..Hα-helixtrans-62.9-37.2177.476.70000112.8L249 V250 V251 T257L249-S253 WeakPolarHBondContact O-CB 3.31Å; L249-S253 PolarHBondContact O-N 3.35Å; L249-S253 VanDerWaalsContact O-N 3.14Å; V250-S253 PolarHBondContact O-N 3.47Å; V250-S253 PolarHBondContact O-OG 2.82Å; V251-S253 VanDerWaalsContact C-N 3.29Å; V251-S253 PolarHBondContact O-N 2.85Å; S253-T257 WeakPolarHBondContact O-CB 3.07Å; S253-T257 PolarHBondContact O-N 3.19Å; S253-T257 PolarHBondContact O-OG1 3.35Å
254I89.9Confident87.4Confident11 Ų1140.9 Ų40.96%0.05623%0.229CC..Hα-helixtrans-65.8-45.7175-69.3168.7000109.8M176 I177 Y180 V250 V251 T252 I256 T257 L258M176-I254 HydrophobicContact CB-CD1 4.36Å; I177-I254 HydrophobicContact CG1-CD1 4.31Å; I177-I254 HydrophobicContact CG1-CG1 4.28Å; Y180-I254 HydrophobicContact CD1-CG2 4.14Å; Y180-I254 HydrophobicContact CD2-CB 4.18Å; Y180-I254 HydrophobicContact CD2-CD1 4.14Å; Y180-I254 HydrophobicContact CD2-CG1 3.82Å; Y180-I254 HydrophobicContact CD2-CG2 3.43Å; Y180-I254 VanDerWaalsContact CD2-CG2 3.43Å; Y180-I254 HydrophobicContact CE1-CG2 4.1Å; Y180-I254 HydrophobicContact CE2-CB 4.42Å; Y180-I254 HydrophobicContact CE2-CD1 4.15Å; Y180-I254 HydrophobicContact CE2-CG1 4.24Å; Y180-I254 HydrophobicContact CE2-CG2 3.37Å; Y180-I254 HydrophobicContact CG-CG2 3.85Å; V250-I254 HydrophobicContact CG1-CD1 4.07Å; V250-I254 WeakPolarHBondContact O-CG1 2.82Å; V250-I254 PolarHBondContact O-N 3.47Å; V250-I254 VanDerWaalsContact O-N 3.15Å; V251-I254 WeakPolarHBondContact O-CB 3.33Å; V251-I254 PolarHBondContact O-N 3.34Å; T252-I254 VanDerWaalsContact C-N 3.3Å; T252-I254 PolarHBondContact O-N 2.82Å; I254-I256 PolarHBondContact O-N 2.98Å; I254-T257 PolarHBondContact O-N 2.7Å; I254-L258 WeakPolarHBondContact O-CB 3.45Å; I254-L258 PolarHBondContact O-N 3.49Å
255L87.3Confident87.5Confident43 Ų4341.7 Ų41.723%0.22523%0.233CC..Hα-helixtrans-60.1-46178.5-59.9-171.9000112.3V251 T252 T257 L258 A259 L540V251-L255 HydrophobicContact CG1-CD1 4.42Å; V251-L255 HydrophobicContact CG1-CG 4.35Å; V251-L255 WeakPolarHBondContact O-CG 3.38Å; V251-L255 PolarHBondContact O-N 2.84Å; T252-L255 PolarHBondContact O-N 3.21Å; L255-T257 PolarHBondContact O-N 2.81Å; L255-L258 PolarHBondContact O-N 3Å; L255-A259 WeakPolarHBondContact O-CB 3.29Å; L255-A259 PolarHBondContact O-N 3.42Å; L255-L540 HydrophobicContact CD1-CD2 4.18Å; L255-L540 HydrophobicContact CD2-CD1 3.41Å; L255-L540 VanDerWaalsContact CD2-CD1 3.41Å; L255-L540 HydrophobicContact CD2-CD2 3.28Å; L255-L540 HydrophobicContact CD2-CG 3.95Å; L255-L540 HydrophobicContact CG-CD2 4.37Å
256I90.1Very high87.3Confident103 Ų10339.8 Ų39.853%0.52822%0.221SC..Hα-helixtrans-61.3-47176.9-67.6168000110.1T252 I254 L258 A259 V260T252-I256 HydrophobicContact CG2-CD1 3.92Å; T252-I256 HydrophobicContact CG2-CG1 4.43Å; T252-I256 WeakPolarHBondContact O-CG1 3.31Å; T252-I256 PolarHBondContact O-N 3.3Å; I254-I256 PolarHBondContact O-N 2.98Å; I256-L258 VanDerWaalsContact C-N 3.28Å; I256-L258 PolarHBondContact O-N 2.9Å; I256-A259 PolarHBondContact O-N 3.2Å; I256-V260 HydrophobicContact CG2-CG2 4.38Å; I256-V260 VanDerWaalsContact O-CG2 3.32Å; I256-V260 WeakPolarHBondContact O-CG2 3.43Å; I256-V260 PolarHBondContact O-N 2.94Å
257T90.1Very high87.2Confident19 Ų1942.3 Ų42.312%0.11724%0.235CC..Hα-helixtrans-59.7-41.7179-58.80000111.2Y180 L184 S253 I254 L255 N261Y180-T257 WeakPolarHBondContact O-CG2 3.24Å; L184-T257 HydrophobicContact CB-CG2 3.86Å; L184-T257 HydrophobicContact CD2-CG2 3.98Å; L184-T257 HydrophobicContact CG-CG2 4.49Å; S253-T257 WeakPolarHBondContact O-CB 3.07Å; S253-T257 PolarHBondContact O-N 3.19Å; S253-T257 PolarHBondContact O-OG1 3.35Å; I254-T257 PolarHBondContact O-N 2.7Å; L255-T257 PolarHBondContact O-N 2.81Å; T257-N261 VanDerWaalsContact O-CB 3.3Å; T257-N261 WeakPolarHBondContact O-CB 3.27Å; T257-N261 PolarHBondContact O-N 3.45Å
258L86.3Confident87Confident6 Ų642.9 Ų42.93%0.03124%0.238CC..Hα-helixtrans-65.3-45.3177.8-165.867.2000112Y180 I254 L255 I256 N261 F262 G533 Q536 L537 L540Y180-L258 HydrophobicContact CD1-CD1 4.19Å; Y180-L258 HydrophobicContact CE1-CD1 4.15Å; I254-L258 WeakPolarHBondContact O-CB 3.45Å; I254-L258 PolarHBondContact O-N 3.49Å; L255-L258 PolarHBondContact O-N 3Å; I256-L258 VanDerWaalsContact C-N 3.28Å; I256-L258 PolarHBondContact O-N 2.9Å; L258-N261 PolarHBondContact O-N 2.92Å; L258-F262 WeakPolarHBondContact O-CB 3.25Å; L258-F262 PolarHBondContact O-N 3.32Å; L258-G533 WeakPolarHBondContact CD1-O 3.29Å; L258-Q536 HydrophobicContact CD1-CB 4.28Å; L258-Q536 HydrophobicContact CD2-CB 3.92Å; L258-L537 HydrophobicContact CD2-CB 4.12Å; L258-L537 HydrophobicContact CD2-CD1 4.15Å; L258-L537 HydrophobicContact CG-CD1 4.17Å; L258-L540 HydrophobicContact CD2-CD1 3.81Å
259A86.5Confident86.5Confident49 Ų4941.3 Ų41.341%0.40523%0.23SC..Hα-helixtrans-63.2-43.6178.100000111.9L255 I256 F262 L263L255-A259 WeakPolarHBondContact O-CB 3.29Å; L255-A259 PolarHBondContact O-N 3.42Å; I256-A259 PolarHBondContact O-N 3.2Å; A259-F262 WeakPolarHBondContact O-CB 3.16Å; A259-F262 PolarHBondContact O-N 3.05Å; A259-L263 PolarHBondContact O-N 2.71Å
260V90Very high86.1Confident61 Ų6144.5 Ų44.537%0.3724%0.241SC..Hα-helixtrans-64.5-44.3175.6175.50000110.7L184 I256 F262 L263 I264L184-V260 HydrophobicContact CD1-CB 4.3Å; L184-V260 HydrophobicContact CD1-CG1 3.72Å; I256-V260 HydrophobicContact CG2-CG2 4.38Å; I256-V260 VanDerWaalsContact O-CG2 3.32Å; I256-V260 WeakPolarHBondContact O-CG2 3.43Å; I256-V260 PolarHBondContact O-N 2.94Å; V260-F262 VanDerWaalsContact C-N 3.32Å; V260-F262 PolarHBondContact O-N 2.87Å; V260-L263 WeakPolarHBondContact O-CB 2.99Å; V260-L263 PolarHBondContact O-N 3.03Å; V260-I264 HydrophobicContact CG1-CD1 3.79Å; V260-I264 HydrophobicContact CG1-CG1 4.4Å; V260-I264 WeakPolarHBondContact O-CG1 3.4Å; V260-I264 PolarHBondContact O-N 3.32Å
261N86.6Confident85.5Confident3 Ų346.6 Ų46.62%0.01625%0.251CS..Hα-helixtrans-62.1-41.8177.6-168.239.2000111.5M183 L184 T257 L258 L263 I264 M265 L532M183-N261 PolarHBondContact O-OD1 2.92Å; L184-N261 HydrophobicContact CB-CB 4.5Å; L184-N261 HydrophobicContact CD1-CB 4.09Å; T257-N261 VanDerWaalsContact O-CB 3.3Å; T257-N261 WeakPolarHBondContact O-CB 3.27Å; T257-N261 PolarHBondContact O-N 3.45Å; L258-N261 PolarHBondContact O-N 2.92Å; N261-L263 PolarHBondContact O-N 3.36Å; N261-I264 PolarHBondContact O-N 3.37Å; N261-M265 VanDerWaalsContact O-CB 3.28Å; N261-M265 WeakPolarHBondContact O-CB 2.85Å; N261-M265 VanDerWaalsContact O-CG 3.29Å; N261-M265 WeakPolarHBondContact O-CG 3.44Å; N261-M265 PolarHBondContact O-N 3.04Å; N261-L532 PolarHBondContact ND2-O 3.47Å
262F83.7Confident85Confident75 Ų7550 Ų5033%0.32927%0.269SS..Hα-helixtrans-58.7-45.5174.7174.1-102.5000112.1L258 A259 V260 M265 S266 M529 F534L258-F262 WeakPolarHBondContact O-CB 3.25Å; L258-F262 PolarHBondContact O-N 3.32Å; A259-F262 WeakPolarHBondContact O-CB 3.16Å; A259-F262 PolarHBondContact O-N 3.05Å; V260-F262 VanDerWaalsContact C-N 3.32Å; V260-F262 PolarHBondContact O-N 2.87Å; F262-M265 PolarHBondContact O-N 3.45Å; F262-S266 VanDerWaalsContact O-CB 3.27Å; F262-S266 WeakPolarHBondContact O-CB 3.33Å; F262-S266 PolarHBondContact O-N 3.47Å; F262-S266 PolarHBondContact O-OG 2.88Å; F262-M529 HydrophobicContact CE2-CE 4.42Å; F262-F534 AromaticContact CD2-CD2 3.85Å; F262-F534 HydrophobicContact CD2-CD2 3.85Å; F262-F534 HydrophobicContact CD2-CE2 4.35Å; F262-F534 AromaticContact CE2-CD2 3.6Å; F262-F534 HydrophobicContact CE2-CD2 3.6Å; F262-F534 AromaticContact CE2-CE2 3.66Å; F262-F534 HydrophobicContact CE2-CE2 3.66Å
263L86.8Confident84.4Confident106 Ų10650.4 Ų50.456%0.55527%0.268SS*.Hα-helixtrans-60.1-50.6176.6-17577.1000111.2A259 V260 N261 M265 S266 I267A259-L263 PolarHBondContact O-N 2.71Å; V260-L263 WeakPolarHBondContact O-CB 2.99Å; V260-L263 PolarHBondContact O-N 3.03Å; N261-L263 PolarHBondContact O-N 3.36Å; L263-M265 PolarHBondContact O-N 3.49Å; L263-S266 PolarHBondContact O-N 3.14Å; L263-I267 HydrophobicContact CD1-CD1 4.48Å; L263-I267 HydrophobicContact CG-CD1 4.05Å; L263-I267 VanDerWaalsContact O-CG1 3.3Å; L263-I267 WeakPolarHBondContact O-CG1 3.5Å; L263-I267 PolarHBondContact O-N 3.35Å
264I86.9Confident83.8Confident18 Ų1852.5 Ų52.59%0.09228%0.281CS..Hα-helixtrans-62.4-43.6-178.7-68.1171.8000111.2L184 G187 I188 M191 V260 N261 I267 T268L184-I264 HydrophobicContact CD1-CD1 3.8Å; G187-I264 WeakPolarHBondContact O-CG2 3.42Å; I188-I264 HydrophobicContact CG1-CD1 3.76Å; M191-I264 HydrophobicContact CB-CG2 3.99Å; M191-I264 HydrophobicContact SD-CG1 4.49Å; M191-I264 HydrophobicContact SD-CG2 4.08Å; V260-I264 HydrophobicContact CG1-CD1 3.79Å; V260-I264 HydrophobicContact CG1-CG1 4.4Å; V260-I264 WeakPolarHBondContact O-CG1 3.4Å; V260-I264 PolarHBondContact O-N 3.32Å; N261-I264 PolarHBondContact O-N 3.37Å; I264-I267 PolarHBondContact O-N 3.12Å; I264-T268 VanDerWaalsContact O-CB 3.25Å; I264-T268 WeakPolarHBondContact O-CB 3.34Å; I264-T268 PolarHBondContact O-N 2.97Å; I264-T268 PolarHBondContact O-OG1 3.46Å
265M81Confident83Confident34 Ų3457.6 Ų57.617%0.16730%0.302CS..Hα-helixtrans-67.1-40178.9-75.3-53.8-50.700112.1L190 N261 F262 L263 T268 L269 L532L190-M265 HydrophobicContact CD1-CE 4.43Å; L190-M265 HydrophobicContact CD1-SD 4.22Å; N261-M265 VanDerWaalsContact O-CB 3.28Å; N261-M265 WeakPolarHBondContact O-CB 2.85Å; N261-M265 VanDerWaalsContact O-CG 3.29Å; N261-M265 WeakPolarHBondContact O-CG 3.44Å; N261-M265 PolarHBondContact O-N 3.04Å; F262-M265 PolarHBondContact O-N 3.45Å; L263-M265 PolarHBondContact O-N 3.49Å; M265-T268 PolarHBondContact O-N 3.31Å; M265-L269 WeakPolarHBondContact O-CB 3.35Å; M265-L269 PolarHBondContact O-N 3.41Å; M265-L532 HydrophobicContact CE-CD1 3.31Å; M265-L532 HydrophobicContact CG-CB 4.4Å; M265-L532 HydrophobicContact CG-CD1 4.29Å; M265-L532 HydrophobicContact SD-CD1 3.73Å
266S81Confident82Confident43 Ų4358.9 Ų58.930%0.30131%0.309SS..Hα-helixtrans-63.1-43.7176.1-62.60000111.8F262 L263 L269 F270F262-S266 VanDerWaalsContact O-CB 3.27Å; F262-S266 WeakPolarHBondContact O-CB 3.33Å; F262-S266 PolarHBondContact O-N 3.47Å; F262-S266 PolarHBondContact O-OG 2.88Å; L263-S266 PolarHBondContact O-N 3.14Å; S266-L269 PolarHBondContact O-N 3.39Å; S266-F270 WeakPolarHBondContact O-CB 3.5Å; S266-F270 PolarHBondContact O-N 3.41Å
267I84Confident80.9Confident74 Ų7462.3 Ų62.338%0.37932%0.323SS..Hα-helixtrans-63-47.8175.1-67.6166.5000110.7F195 L263 I264 L269 F270 M271F195-I267 HydrophobicContact CE2-CG2 4.11Å; F195-I267 HydrophobicContact CZ-CG2 3.84Å; L263-I267 HydrophobicContact CD1-CD1 4.48Å; L263-I267 HydrophobicContact CG-CD1 4.05Å; L263-I267 VanDerWaalsContact O-CG1 3.3Å; L263-I267 WeakPolarHBondContact O-CG1 3.5Å; L263-I267 PolarHBondContact O-N 3.35Å; I264-I267 PolarHBondContact O-N 3.12Å; I267-L269 VanDerWaalsContact C-N 3.3Å; I267-L269 PolarHBondContact O-N 2.85Å; I267-F270 PolarHBondContact O-N 3.16Å; I267-M271 WeakPolarHBondContact O-CB 3.46Å; I267-M271 WeakPolarHBondContact O-CG 3.37Å; I267-M271 PolarHBondContact O-N 3.29Å
268T81.3Confident79.5Confident12 Ų1271.3 Ų71.37%0.07435%0.354CS..Hα-helixtrans-59.8-40.8178.4-67.90000111.7L190 L194 I264 M265 M271 L272L190-T268 HydrophobicContact CB-CG2 4.34Å; L194-T268 HydrophobicContact CD1-CG2 3.46Å; L194-T268 VanDerWaalsContact CD1-CG2 3.46Å; I264-T268 VanDerWaalsContact O-CB 3.25Å; I264-T268 WeakPolarHBondContact O-CB 3.34Å; I264-T268 PolarHBondContact O-N 2.97Å; I264-T268 PolarHBondContact O-OG1 3.46Å; M265-T268 PolarHBondContact O-N 3.31Å; T268-M271 WeakPolarHBondContact O-CB 3.24Å; T268-L272 PolarHBondContact O-N 3.06Å; T268-L272 VanDerWaalsContact O-N 3.14Å
269L77.7Confident77.9Confident46 Ų4678.2 Ų78.224%0.24139%0.387CS..Hα-helixtrans-66.7-51.1176.6173.555000111.7M265 S266 I267 M271 L272 L273 I525M265-L269 WeakPolarHBondContact O-CB 3.35Å; M265-L269 PolarHBondContact O-N 3.41Å; S266-L269 PolarHBondContact O-N 3.39Å; I267-L269 VanDerWaalsContact C-N 3.3Å; I267-L269 PolarHBondContact O-N 2.85Å; L269-M271 PolarHBondContact O-N 3.49Å; L269-L272 PolarHBondContact O-N 3.09Å; L269-L273 HydrophobicContact CD1-CD1 3.82Å; L269-L273 HydrophobicContact CD1-CD2 4.42Å; L269-L273 HydrophobicContact CD1-CG 3.86Å; L269-L273 HydrophobicContact CG-CD1 3.99Å; L269-L273 HydrophobicContact CG-CG 4.44Å; L269-L273 WeakPolarHBondContact O-CG 3.28Å; L269-L273 PolarHBondContact O-N 3.18Å; L269-I525 HydrophobicContact CD1-CB 4.45Å; L269-I525 HydrophobicContact CD1-CD1 3.9Å; L269-I525 HydrophobicContact CD1-CG1 4.39Å; L269-I525 HydrophobicContact CD1-CG2 3.35Å; L269-I525 HydrophobicContact CD2-CG2 3.99Å; L269-I525 HydrophobicContact CG-CG2 4.31Å
270F82.1Confident76Confident146 Ų14681.6 Ų81.664%0.6440%0.404SS*.Hα-helixtrans-55-42.6179.1176.8-101.6000111.7S266 I267 L273 T274S266-F270 WeakPolarHBondContact O-CB 3.5Å; S266-F270 PolarHBondContact O-N 3.41Å; I267-F270 PolarHBondContact O-N 3.16Å; F270-L273 PolarHBondContact O-N 3.34Å; F270-T274 WeakPolarHBondContact O-CB 3.42Å; F270-T274 PolarHBondContact O-N 2.99Å; F270-T274 PolarHBondContact O-OG1 3.26Å
271M78.1Confident73.8Confident44 Ų4483.7 Ų83.722%0.21742%0.417CS..Hα-helixtrans-59.9-46.8174.3-75.7-88.9-5700113.7F195 I267 T268 L269 T274 K275F195-M271 HydrophobicContact CD1-CE 3.43Å; F195-M271 VanDerWaalsContact CD1-CE 3.43Å; F195-M271 HydrophobicContact CD1-SD 4.12Å; F195-M271 HydrophobicContact CD2-CE 4.16Å; F195-M271 HydrophobicContact CE1-CE 3Å; F195-M271 HydrophobicContact CE1-CG 3.87Å; F195-M271 HydrophobicContact CE1-SD 3.1Å; F195-M271 WeakPolarHBondContact CE1-SD 3.32Å; F195-M271 HydrophobicContact CE2-CE 3.77Å; F195-M271 HydrophobicContact CE2-CG 3.78Å; F195-M271 HydrophobicContact CE2-SD 4.09Å; F195-M271 HydrophobicContact CG-CE 4.04Å; F195-M271 HydrophobicContact CZ-CB 4.35Å; F195-M271 HydrophobicContact CZ-CE 3.24Å; F195-M271 HydrophobicContact CZ-CG 3.17Å; F195-M271 HydrophobicContact CZ-SD 3.11Å; F195-M271 WeakPolarHBondContact CZ-SD 3.18Å; I267-M271 WeakPolarHBondContact O-CB 3.46Å; I267-M271 WeakPolarHBondContact O-CG 3.37Å; I267-M271 PolarHBondContact O-N 3.29Å; T268-M271 WeakPolarHBondContact O-CB 3.24Å; L269-M271 PolarHBondContact O-N 3.49Å; M271-T274 PolarHBondContact O-N 3.31Å; M271-K275 PolarHBondContact O-N 3.47Å
272L76.7Confident71.5Confident81 Ų8186.8 Ų86.842%0.42445%0.45SS..Hα-helixtrans-64.4-44-179.1-176.466.1000110.7T268 L269 K275 L276 I525T268-L272 PolarHBondContact O-N 3.06Å; T268-L272 VanDerWaalsContact O-N 3.14Å; L269-L272 PolarHBondContact O-N 3.09Å; L272-K275 PolarHBondContact O-N 2.87Å; L272-L276 WeakPolarHBondContact O-CB 3.15Å; L272-L276 PolarHBondContact O-N 2.91Å; L272-I525 HydrophobicContact CD2-CD1 3.97Å
273L74.8Confident69.2Low69 Ų6989.6 Ų89.636%0.36147%0.467SS..Hα-helixtrans-62.8-42176.2-67174.8000111.6L269 F270 K275 L276 H277L269-L273 HydrophobicContact CD1-CD1 3.82Å; L269-L273 HydrophobicContact CD1-CD2 4.42Å; L269-L273 HydrophobicContact CD1-CG 3.86Å; L269-L273 HydrophobicContact CG-CD1 3.99Å; L269-L273 HydrophobicContact CG-CG 4.44Å; L269-L273 WeakPolarHBondContact O-CG 3.28Å; L269-L273 PolarHBondContact O-N 3.18Å; F270-L273 PolarHBondContact O-N 3.34Å; L273-K275 PolarHBondContact O-N 3.23Å; L273-L276 PolarHBondContact O-N 3.27Å; L273-H277 PolarHBondContact O-N 3.3Å; L273-H277 VanDerWaalsContact O-N 3.09Å
274T78.7Confident66.8Low59 Ų5992 Ų9236%0.36249%0.486SS..Hα-helixtrans-64.2-40.2178-570000111.9F270 M271 H277 R278F270-T274 WeakPolarHBondContact O-CB 3.42Å; F270-T274 PolarHBondContact O-N 2.99Å; F270-T274 PolarHBondContact O-OG1 3.26Å; M271-T274 PolarHBondContact O-N 3.31Å; T274-H277 PolarHBondContact O-N 3.37Å; T274-R278 PolarHBondContact O-N 2.93Å
275K73.9Confident64.3Low118 Ų11894.6 Ų94.651%0.51352%0.518SS..Hα-helixtrans-67.2-37.1174.8-76.1-176178.7176.60112.3M271 L272 L273 H277 R278M271-K275 PolarHBondContact O-N 3.47Å; L272-K275 PolarHBondContact O-N 2.87Å; L273-K275 PolarHBondContact O-N 3.23Å; K275-H277 VanDerWaalsContact C-N 3.26Å; K275-H277 PolarHBondContact O-N 3.5Å; K275-R278 PolarHBondContact O-N 3.15Å
276L65Low62Low70 Ų7098 Ų9837%0.36655%0.545SS..Hα-helixtrans-64.7-33.1177.7-164.866.6000111.8L272 L273 I518L272-L276 WeakPolarHBondContact O-CB 3.15Å; L272-L276 PolarHBondContact O-N 2.91Å; L273-L276 PolarHBondContact O-N 3.27Å; L276-I518 HydrophobicContact CD2-CB 4.39Å; L276-I518 HydrophobicContact CD2-CG1 3.81Å; L276-I518 HydrophobicContact CD2-CG2 4.35Å; L276-I518 HydrophobicContact CG-CG1 4.18Å
277H66.9Low59.7Low176 Ų176108 Ų10882%0.81558%0.576SS**Hα-helixtrans-74.3-22.8176-160.978.7000113.6L273 T274 K275L273-H277 PolarHBondContact O-N 3.3Å; L273-H277 VanDerWaalsContact O-N 3.09Å; T274-H277 PolarHBondContact O-N 3.37Å; K275-H277 VanDerWaalsContact C-N 3.26Å; K275-H277 PolarHBondContact O-N 3.5Å
278R62.1Low57.2Low208 Ų208113.2 Ų113.279%0.78560%0.596SS**THydrogen-bonded Turntrans-94.94.6-171.3-143.5176.9-173.8152.32.1115.1T274 K275 P280T274-R278 PolarHBondContact O-N 2.93Å; K275-R278 PolarHBondContact O-N 3.15Å; R278-P280 WeakPolarHBondContact O-CD 3.36Å; R278-P280 VanDerWaalsContact O-N 3.15Å
279Q53.1Low55.2Low151 Ų151117.7 Ų117.771%0.70662%0.623SS**  trans-64.8111173.1-81.3-166.1-13.500110.1T281Q279-T281 PolarHBondContact O-N 3.4Å
280P45.4Very low53.3Low120 Ų120125.2 Ų125.278%0.77965%0.654SS**  trans-68.8129.1-176.4-13.228.8000109.9R278 G282R278-P280 WeakPolarHBondContact O-CD 3.36Å; R278-P280 VanDerWaalsContact O-N 3.15Å; P280-G282 PolarHBondContact O-N 3.03Å
281T44.9Very low51.6Low104 Ų104124.2 Ų124.264%0.63866%0.655SS**  trans-63.782.3163.544.90000109.5Q279 I283Q279-T281 PolarHBondContact O-N 3.4Å; T281-I283 PolarHBondContact O-N 3.25Å; T281-I283 VanDerWaalsContact O-N 3.16Å
282G36.8Very low50Low69 Ų69126.2 Ų126.271%0.71167%0.667SS**  trans-85.273.2178.800000112.8P280P280-G282 PolarHBondContact O-N 3.03Å
283I35.4Very low48.5Very low134 Ų134132.2 Ų132.269%0.68768%0.684SS**  trans-153.185.2157.4-50.8-178.8000110.4T281T281-I283 PolarHBondContact O-N 3.25Å; T281-I283 VanDerWaalsContact O-N 3.16Å
284V37Very low47.2Very low155 Ų155133.5 Ų133.594%0.93970%0.695SS**  trans-158.7118.6145.5-1800000107
285G35.4Very low45.8Very low74 Ų74135.2 Ų135.276%0.76370%0.701SS**  trans144.776.8169.600000116.3
286S32.4Very low44.4Very low106 Ų106134.9 Ų134.974%0.74170%0.701SS**  trans23.6117.7146.8-81.30000120.5K288S286-K288 PolarHBondContact O-N 3.45Å; S286-K288 VanDerWaalsContact O-N 3.15Å
287R31.6Very low43.5Very low253 Ų253137.3 Ų137.396%0.95571%0.714SS**  42.566.5125.9-153.6-174-79-177.8-3.7114.5
288K33Very low42.3Very low182 Ų182136.1 Ų136.179%0.79171%0.709SS**  trans-123.7125.4160.1-76.1-170.9179.1179.20110.3S286S286-K288 PolarHBondContact O-N 3.45Å; S286-K288 VanDerWaalsContact O-N 3.15Å
289T37.6Very low41.1Very low106 Ų106133.7 Ų133.765%0.6570%0.7SS**  trans-27.4147.617745.80000116.5D291 N292T289-D291 PolarHBondContact O-N 2.76Å; T289-N292 PolarHBondContact O-N 2.66Å
290K38.5Very low40.5Very low204 Ų204133 Ų13389%0.88770%0.696SS**THydrogen-bonded Turntrans-59-6-174-126171.8178.7177.30115.1
291D46.5Very low40.1Very low126 Ų126131.5 Ų131.567%0.67469%0.689SS**THydrogen-bonded Turntrans-92.2-12.3-176.8-70.2-36.4000115.2T289 T294T289-D291 PolarHBondContact O-N 2.76Å; D291-T294 PolarHBondContact O-OG1 2.96Å
292N44.1Very low39.8Very low86 Ų86129.9 Ų129.946%0.4668%0.682SS.*SBendtrans-90.9-7.8-179.1-90.8-4.3000115.1T289 I295 E296T289-N292 PolarHBondContact O-N 2.66Å; N292-I295 PolarHBondContact O-N 2.78Å; N292-E296 PolarHBondContact O-N 3.5Å
293R45.7Very low39.9Very low206 Ų206136.1 Ų136.178%0.77768%0.684SS**Hα-helixtrans-72.9-28179.4-88.7-175.5-175.7174.72.3113.3L297R293-L297 WeakPolarHBondContact O-CB 3.46Å; R293-L297 WeakPolarHBondContact O-CD1 3.39Å; R293-L297 VanDerWaalsContact O-CG 3.28Å; R293-L297 WeakPolarHBondContact O-CG 3.45Å; R293-L297 PolarHBondContact O-N 3.02Å
294T47.6Very low39.9Very low97 Ų97132.5 Ų132.560%0.59568%0.679SS**Hα-helixtrans-74.6-30.417625.30000112.3D291 Q298D291-T294 PolarHBondContact O-OG1 2.96Å; T294-Q298 PolarHBondContact O-N 2.85Å
295I48.4Very low40.1Very low94 Ų94129.4 Ų129.448%0.48266%0.66SS.*Hα-helixtrans-80-34.2179.1-59.5175.1000111.6N292 R299N292-I295 PolarHBondContact O-N 2.78Å; I295-R299 PolarHBondContact O-N 3.38Å; I295-R299 VanDerWaalsContact O-N 3.08Å
296E45Very low39.9Very low112 Ų112130.2 Ų130.252%0.52365%0.654SS.*Hα-helixtrans-70.4-38.4173.6-88.6-86.4136.900112.8N292 Q298 R299 Q300N292-E296 PolarHBondContact O-N 3.5Å; E296-Q298 VanDerWaalsContact C-N 3.34Å; E296-Q298 PolarHBondContact O-N 3.23Å; E296-R299 PolarHBondContact O-N 2.91Å; E296-Q300 PolarHBondContact O-N 2.74Å
297L46.1Very low40.1Very low120 Ų120132.4 Ų132.463%0.62865%0.652SS**Hα-helixtrans-68-31.1176.3-74.9167.9000112.6R293 S301R293-L297 WeakPolarHBondContact O-CB 3.46Å; R293-L297 WeakPolarHBondContact O-CD1 3.39Å; R293-L297 VanDerWaalsContact O-CG 3.28Å; R293-L297 WeakPolarHBondContact O-CG 3.45Å; R293-L297 PolarHBondContact O-N 3.02Å; L297-S301 PolarHBondContact O-N 2.86Å
298Q41.1Very low40.4Very low151 Ų151124.8 Ų124.871%0.70663%0.63SS**Hα-helixtrans-76.3-32.1170.7-77.9-126.2-67.400113.2T294 E296 S301 S302T294-Q298 PolarHBondContact O-N 2.85Å; E296-Q298 VanDerWaalsContact C-N 3.34Å; E296-Q298 PolarHBondContact O-N 3.23Å; Q298-S301 PolarHBondContact O-N 3.22Å; Q298-S302 WeakPolarHBondContact O-CB 3.4Å; Q298-S302 PolarHBondContact O-N 3.41Å
299R38.3Very low40.6Very low158 Ų158118.3 Ų118.360%0.59662%0.615SS**Hα-helixtrans-70.5-30.8174.8-92.9178.9172.3162.5-0.3113.6I295 E296 R303I295-R299 PolarHBondContact O-N 3.38Å; I295-R299 VanDerWaalsContact O-N 3.08Å; E296-R299 PolarHBondContact O-N 2.91Å; R299-R303 PolarHBondContact O-N 2.84Å
300Q40.6Very low40.5Very low137 Ų137119.1 Ų119.164%0.6462%0.615SS**Hα-helixtrans-75.5-33172.9-85.5177.5-19.800113.2E296 S302 G304E296-Q300 PolarHBondContact O-N 2.74Å; Q300-S302 VanDerWaalsContact C-N 3.26Å; Q300-S302 PolarHBondContact O-N 3.48Å; Q300-G304 PolarHBondContact O-N 3.42Å
301S36Very low40.5Very low88 Ų88114.9 Ų114.962%0.61560%0.601SS**Hα-helixtrans-69.9-21.6172.1-170.80000113.4L297 Q298 T305L297-S301 PolarHBondContact O-N 2.86Å; Q298-S301 PolarHBondContact O-N 3.22Å; S301-T305 PolarHBondContact O-OG1 3.5Å; S301-T305 VanDerWaalsContact O-OG1 3.11Å
302S38.9Very low40.4Very low70 Ų70112.2 Ų112.249%0.4959%0.592SS.*Hα-helixtrans-97-27.2-179.2-160.30000113.4Q298 Q300 T305 C306Q298-S302 WeakPolarHBondContact O-CB 3.4Å; Q298-S302 PolarHBondContact O-N 3.41Å; Q300-S302 VanDerWaalsContact C-N 3.26Å; Q300-S302 PolarHBondContact O-N 3.48Å; S302-T305 PolarHBondContact O-OG1 3.04Å; S302-C306 PolarHBondContact O-N 2.91Å
303R38.4Very low40.3Very low200 Ų200113.4 Ų113.476%0.75560%0.599SS**Hα-helixtrans-75-23.7171.8-84.8179.3170.8162.3-3.2114R299 T305R299-R303 PolarHBondContact O-N 2.84Å; R303-T305 VanDerWaalsContact C-N 3.34Å
304G35.5Very low40.6Very low57 Ų57107.7 Ų107.759%0.58858%0.583SS**Hα-helixtrans-77.2-16.5174.800000114.6Q300Q300-G304 PolarHBondContact O-N 3.42Å
305T40.7Very low40.5Very low90 Ų90105.8 Ų105.855%0.55258%0.578SS**Hα-helixtrans-104.5-23.4-178.834.50000113.2S301 S302 R303 L308S301-T305 PolarHBondContact O-OG1 3.5Å; S301-T305 VanDerWaalsContact O-OG1 3.11Å; S302-T305 PolarHBondContact O-OG1 3.04Å; R303-T305 VanDerWaalsContact C-N 3.34Å; T305-L308 PolarHBondContact O-N 3.34Å
306C31.9Very low40.5Very low92 Ų92106.7 Ų106.762%0.62258%0.582SS**Hα-helixtrans-84.1-11.2176.9-86.40000116.3S302 L308S302-C306 PolarHBondContact O-N 2.91Å; C306-L308 VanDerWaalsContact C-N 3.31Å
307Q37.1Very low40.6Very low151 Ų151104.3 Ų104.371%0.70658%0.575SS**THydrogen-bonded Turntrans-80.6-13.5165.4-84.3-154.6-47.100113.1
308L37.2Very low40.9Very low93 Ų93103.5 Ų103.549%0.48757%0.571SS.*Hα-helixtrans-83.9-23-177.1-128.683.5000113.4F198 T305 C306 S312F198-L308 HydrophobicContact CD2-CD2 3.89Å; F198-L308 HydrophobicContact CE2-CD2 3.4Å; F198-L308 HydrophobicContact CZ-CD2 4.29Å; T305-L308 PolarHBondContact O-N 3.34Å; C306-L308 VanDerWaalsContact C-N 3.31Å; L308-S312 PolarHBondContact O-N 3.34Å
309G37.1Very low41.3Very low46 Ų4699.6 Ų99.647%0.47456%0.56SS.*Hα-helixtrans-77.4-30.3175.400000114.1
310L36.3Very low41.8Very low124 Ų12496.6 Ų96.665%0.64956%0.556SS**Hα-helixtrans-79-25.7176.9-92.3143.3000112.9N314L310-N314 VanDerWaalsContact O-CB 3.31Å; L310-N314 WeakPolarHBondContact O-CB 3.44Å; L310-N314 PolarHBondContact O-N 2.82Å; L310-N314 PolarHBondContact O-ND2 2.97Å; L310-N314 VanDerWaalsContact O-ND2 3.1Å
311L38.7Very low42.5Very low114 Ų11496.3 Ų96.360%0.59755%0.553SS**Hα-helixtrans-86.7-24.8175.3-72.4169.7000113.3A315L311-A315 VanDerWaalsContact O-CB 3.22Å; L311-A315 WeakPolarHBondContact O-CB 3.4Å; L311-A315 PolarHBondContact O-N 3.33Å
312S44.2Very low43.3Very low70 Ų7096.5 Ų96.549%0.4955%0.546SS..Hα-helixtrans-65.1-44.4174.7178.70000112L308L308-S312 PolarHBondContact O-N 3.34Å
313N42.6Very low44Very low112 Ų11296.5 Ų96.560%0.59954%0.543SS*.Hα-helixtrans-74.4-36.6178.1-66.3-12.3000110.7T317N313-T317 PolarHBondContact O-N 2.92Å; N313-T317 PolarHBondContact O-OG1 3Å
314N51Low44.8Very low85 Ų8591 Ų9146%0.45553%0.532SS..Hα-helixtrans-74-21.6176.2-72.4-14.6000114.2L310 T317 L318L310-N314 VanDerWaalsContact O-CB 3.31Å; L310-N314 WeakPolarHBondContact O-CB 3.44Å; L310-N314 PolarHBondContact O-N 2.82Å; L310-N314 PolarHBondContact O-ND2 2.97Å; L310-N314 VanDerWaalsContact O-ND2 3.1Å; N314-T317 CarbonylContact O-C 3.6Å; N314-T317 PolarHBondContact O-N 3.42Å; N314-L318 WeakPolarHBondContact O-CA 3.29Å; N314-L318 WeakPolarHBondContact O-CB 3.4Å; N314-L318 PolarHBondContact O-N 3.4Å
315A44.5Very low45.6Very low58 Ų5893.7 Ų93.748%0.47953%0.532SS..Hα-helixtrans-71.3-36.3177.200000111.8L311 S319L311-A315 VanDerWaalsContact O-CB 3.22Å; L311-A315 WeakPolarHBondContact O-CB 3.4Å; L311-A315 PolarHBondContact O-N 3.33Å; A315-S319 WeakPolarHBondContact O-CB 3.32Å; A315-S319 PolarHBondContact O-N 3.37Å
316I49.4Very low46.1Very low112 Ų11293.1 Ų93.157%0.57453%0.528SS*.Hα-helixtrans-72.1-40.6172-60.3174.4000109.6L318 N320I316-L318 PolarHBondContact O-N 3.35Å; I316-N320 VanDerWaalsContact O-CB 3.29Å; I316-N320 WeakPolarHBondContact O-CB 3.5Å; I316-N320 PolarHBondContact O-N 3.08Å; I316-N320 PolarHBondContact O-ND2 3.49Å; I316-N320 PolarHBondContact O-OD1 3.14Å
317T48.1Very low47Very low62 Ų6294.3 Ų94.338%0.3853%0.526SS..Hα-helixtrans-68.5-32.2175-390000113.1N313 N314 K321N313-T317 PolarHBondContact O-N 2.92Å; N313-T317 PolarHBondContact O-OG1 3Å; N314-T317 CarbonylContact O-C 3.6Å; N314-T317 PolarHBondContact O-N 3.42Å; T317-K321 HydrophobicContact CG2-CD 4.44Å; T317-K321 VanDerWaalsContact O-CB 3.23Å; T317-K321 WeakPolarHBondContact O-CB 3.2Å; T317-K321 WeakPolarHBondContact O-CG 3.44Å; T317-K321 PolarHBondContact O-N 3.27Å
318L50.4Low48Very low104 Ų10489.8 Ų89.855%0.54551%0.509SS..Hα-helixtrans-78.5-39.8177.4-173.172.4000110.5N314 I316 K321 I322N314-L318 WeakPolarHBondContact O-CA 3.29Å; N314-L318 WeakPolarHBondContact O-CB 3.4Å; N314-L318 PolarHBondContact O-N 3.4Å; I316-L318 PolarHBondContact O-N 3.35Å; L318-K321 PolarHBondContact O-N 2.94Å; L318-I322 HydrophobicContact CD1-CD1 4.33Å; L318-I322 HydrophobicContact CD2-CD1 4.38Å; L318-I322 HydrophobicContact CG-CD1 3.84Å; L318-I322 HydrophobicContact CG-CG1 4.37Å; L318-I322 VanDerWaalsContact O-CB 3.28Å; L318-I322 WeakPolarHBondContact O-CB 3.48Å; L318-I322 WeakPolarHBondContact O-CG1 3.48Å; L318-I322 PolarHBondContact O-N 3.32Å
319S51.4Low48.8Very low68 Ų6887.9 Ų87.948%0.47651%0.507SS..Hα-helixtrans-57.8-51.3168.7-170.10000109.4A315 K321 I322 T323A315-S319 WeakPolarHBondContact O-CB 3.32Å; A315-S319 PolarHBondContact O-N 3.37Å; S319-K321 PolarHBondContact O-N 3.45Å; S319-I322 PolarHBondContact O-N 3.37Å; S319-T323 PolarHBondContact O-N 3.31Å; S319-T323 PolarHBondContact O-OG1 2.71Å
320N48.8Very low49.5Very low95 Ų9590.7 Ų90.751%0.50851%0.51SS..Hα-helixtrans-62.9-40.2178.7-68.5-9.9000112.2I316 T323 T324I316-N320 VanDerWaalsContact O-CB 3.29Å; I316-N320 WeakPolarHBondContact O-CB 3.5Å; I316-N320 PolarHBondContact O-N 3.08Å; I316-N320 PolarHBondContact O-ND2 3.49Å; I316-N320 PolarHBondContact O-OD1 3.14Å; N320-T323 PolarHBondContact O-N 3.01Å; N320-T324 WeakPolarHBondContact O-CB 3.46Å; N320-T324 PolarHBondContact O-N 3.1Å; N320-T324 PolarHBondContact O-OG1 3.3Å
321K53.8Low50.7Low131 Ų13191.4 Ų91.457%0.5751%0.51SS*.Hα-helixtrans-67.8-38.4175.4-80177.4176.6-174.10113T317 L318 S319 T324 I325T317-K321 HydrophobicContact CG2-CD 4.44Å; T317-K321 VanDerWaalsContact O-CB 3.23Å; T317-K321 WeakPolarHBondContact O-CB 3.2Å; T317-K321 WeakPolarHBondContact O-CG 3.44Å; T317-K321 PolarHBondContact O-N 3.27Å; L318-K321 PolarHBondContact O-N 2.94Å; S319-K321 PolarHBondContact O-N 3.45Å; K321-T324 PolarHBondContact O-N 2.89Å; K321-I325 WeakPolarHBondContact O-CB 3.48Å; K321-I325 WeakPolarHBondContact O-CD1 3.37Å; K321-I325 WeakPolarHBondContact O-CG1 3.17Å; K321-I325 PolarHBondContact O-N 3.46Å
322I52.5Low51.4Low92 Ų9294.8 Ų94.847%0.47252%0.515SS..Hα-helixtrans-66.7-43.3174.8-70.6169.2000109.2L318 S319 T324 I325 T326L318-I322 HydrophobicContact CD1-CD1 4.33Å; L318-I322 HydrophobicContact CD2-CD1 4.38Å; L318-I322 HydrophobicContact CG-CD1 3.84Å; L318-I322 HydrophobicContact CG-CG1 4.37Å; L318-I322 VanDerWaalsContact O-CB 3.28Å; L318-I322 WeakPolarHBondContact O-CB 3.48Å; L318-I322 WeakPolarHBondContact O-CG1 3.48Å; L318-I322 PolarHBondContact O-N 3.32Å; S319-I322 PolarHBondContact O-N 3.37Å; I322-T324 VanDerWaalsContact C-N 3.34Å; I322-T324 PolarHBondContact O-N 3.29Å; I322-I325 PolarHBondContact O-N 3.23Å; I322-T326 PolarHBondContact O-N 2.83Å; I322-T326 PolarHBondContact O-OG1 2.61Å
323T54.4Low51.9Low70 Ų7093.7 Ų93.743%0.42951%0.51SS..Hα-helixtrans-61.4-40.9174.2-38.80000111.3S319 N320 T326 M327S319-T323 PolarHBondContact O-N 3.31Å; S319-T323 PolarHBondContact O-OG1 2.71Å; N320-T323 PolarHBondContact O-N 3.01Å; T323-T326 WeakPolarHBondContact CA-OG1 3.32Å; T323-T326 PolarHBondContact O-N 3.12Å; T323-T326 PolarHBondContact O-OG1 3.27Å; T323-M327 HydrophobicContact CG2-CG 4.48Å; T323-M327 VanDerWaalsContact O-CB 3.3Å; T323-M327 WeakPolarHBondContact O-CB 3.41Å; T323-M327 WeakPolarHBondContact O-CG 3.14Å; T323-M327 PolarHBondContact O-N 3.29Å
324T55.3Low52.5Low86 Ų8693 Ų9353%0.52851%0.506SS..Hα-helixtrans-65.7-39.6175-51.90000112.2N320 K321 I322 M327 T328N320-T324 WeakPolarHBondContact O-CB 3.46Å; N320-T324 PolarHBondContact O-N 3.1Å; N320-T324 PolarHBondContact O-OG1 3.3Å; K321-T324 PolarHBondContact O-N 2.89Å; I322-T324 VanDerWaalsContact C-N 3.34Å; I322-T324 PolarHBondContact O-N 3.29Å; T324-M327 PolarHBondContact O-N 2.79Å; T324-T328 PolarHBondContact O-N 3.04Å; T324-T328 PolarHBondContact O-OG1 3.17Å
325I52.5Low53Low112 Ų11295.6 Ų95.657%0.57451%0.514SS*.Hα-helixtrans-69.3-40.4177.1-69.3164.4000111K321 I322 T328 A329K321-I325 WeakPolarHBondContact O-CB 3.48Å; K321-I325 WeakPolarHBondContact O-CD1 3.37Å; K321-I325 WeakPolarHBondContact O-CG1 3.17Å; K321-I325 PolarHBondContact O-N 3.46Å; I322-I325 PolarHBondContact O-N 3.23Å; I325-T328 WeakPolarHBondContact CA-OG1 3.14Å; I325-T328 PolarHBondContact O-OG1 2.8Å; I325-A329 VanDerWaalsContact O-CB 3.23Å; I325-A329 WeakPolarHBondContact O-CB 3.28Å; I325-A329 PolarHBondContact O-N 3.14Å
326T50.4Low53.5Low79 Ų7995.8 Ų95.849%0.48551%0.512SS..Hα-helixtrans-69.4-36.2174.644.70000112.3I322 T323 A329 L330I322-T326 PolarHBondContact O-N 2.83Å; I322-T326 PolarHBondContact O-OG1 2.61Å; T323-T326 WeakPolarHBondContact CA-OG1 3.32Å; T323-T326 PolarHBondContact O-N 3.12Å; T323-T326 PolarHBondContact O-OG1 3.27Å; T326-A329 PolarHBondContact O-N 3.27Å; T326-L330 VanDerWaalsContact O-CB 3.27Å; T326-L330 WeakPolarHBondContact O-CB 3.34Å; T326-L330 PolarHBondContact O-N 2.71Å
327M51.7Low53.9Low117 Ų11795.6 Ų95.658%0.57651%0.508SS*.Hα-helixtrans-68.2-43.9175.5-72.2-64.9-67.900111.3T323 T324 A329 L330 E331T323-M327 HydrophobicContact CG2-CG 4.48Å; T323-M327 VanDerWaalsContact O-CB 3.3Å; T323-M327 WeakPolarHBondContact O-CB 3.41Å; T323-M327 WeakPolarHBondContact O-CG 3.14Å; T323-M327 PolarHBondContact O-N 3.29Å; T324-M327 PolarHBondContact O-N 2.79Å; M327-A329 PolarHBondContact O-N 3.14Å; M327-L330 PolarHBondContact O-N 2.87Å; M327-E331 WeakPolarHBondContact O-CB 3.45Å; M327-E331 PolarHBondContact O-N 3.03Å
328T57Low54.3Low55 Ų5595.6 Ų95.634%0.33752%0.515SS..Hα-helixtrans-69.6-28.7175.335.30000113.5T324 I325 R332T324-T328 PolarHBondContact O-N 3.04Å; T324-T328 PolarHBondContact O-OG1 3.17Å; I325-T328 WeakPolarHBondContact CA-OG1 3.14Å; I325-T328 PolarHBondContact O-OG1 2.8Å; T328-R332 WeakPolarHBondContact O-CB 3.44Å; T328-R332 VanDerWaalsContact O-CG 3.27Å; T328-R332 WeakPolarHBondContact O-CG 3.17Å; T328-R332 PolarHBondContact O-N 3.27Å; T328-R332 VanDerWaalsContact O-N 3.1Å
329A54.4Low54.6Low54 Ų5496.3 Ų96.345%0.44652%0.515SS..Hα-helixtrans-72.4-40172.300000112.1I325 T326 M327 R332 A333I325-A329 VanDerWaalsContact O-CB 3.23Å; I325-A329 WeakPolarHBondContact O-CB 3.28Å; I325-A329 PolarHBondContact O-N 3.14Å; T326-A329 PolarHBondContact O-N 3.27Å; M327-A329 PolarHBondContact O-N 3.14Å; A329-R332 PolarHBondContact O-N 2.87Å; A329-A333 WeakPolarHBondContact O-CB 3.41Å; A329-A333 PolarHBondContact O-N 3.39Å
330L51.3Low54.7Low105 Ų10599.2 Ų99.255%0.5553%0.525SS..Hα-helixtrans-69-35176.1-161.670.8000111.6T326 M327 A333 N334T326-L330 VanDerWaalsContact O-CB 3.27Å; T326-L330 WeakPolarHBondContact O-CB 3.34Å; T326-L330 PolarHBondContact O-N 2.71Å; M327-L330 PolarHBondContact O-N 2.87Å; L330-A333 PolarHBondContact O-N 3.41Å; L330-N334 WeakPolarHBondContact O-CB 3.15Å; L330-N334 PolarHBondContact O-N 3.44Å
331E62.5Low55Low138 Ų138103 Ų10365%0.64553%0.532SS*.Hα-helixtrans-70.1-36.1174.6-138168-17300112.2M327 K335M327-E331 WeakPolarHBondContact O-CB 3.45Å; M327-E331 PolarHBondContact O-N 3.03Å; E331-K335 VanDerWaalsContact O-CB 3.29Å; E331-K335 WeakPolarHBondContact O-CB 3.23Å; E331-K335 PolarHBondContact O-N 2.88Å
332R54.2Low55.1Low185 Ų185102.3 Ų102.370%0.69853%0.534SS*.Hα-helixtrans-69.4-37.5172-74.7177.2-164162.35.1112.4T328 A329 K335 S336T328-R332 WeakPolarHBondContact O-CB 3.44Å; T328-R332 VanDerWaalsContact O-CG 3.27Å; T328-R332 WeakPolarHBondContact O-CG 3.17Å; T328-R332 PolarHBondContact O-N 3.27Å; T328-R332 VanDerWaalsContact O-N 3.1Å; A329-R332 PolarHBondContact O-N 2.87Å; R332-K335 PolarHBondContact O-N 3.16Å; R332-S336 PolarHBondContact O-N 2.89Å; R332-S336 PolarHBondContact O-OG 3.44Å; R332-S336 VanDerWaalsContact O-OG 3.14Å
333A52.9Low55.2Low47 Ų47103.3 Ų103.339%0.38854%0.54SS..Hα-helixtrans-65.4-44.8175.600000111.7A329 L330 K335 S336 E337A329-A333 WeakPolarHBondContact O-CB 3.41Å; A329-A333 PolarHBondContact O-N 3.39Å; L330-A333 PolarHBondContact O-N 3.41Å; A333-K335 PolarHBondContact O-N 2.84Å; A333-S336 WeakPolarHBondContact CA-OG 3.41Å; A333-S336 PolarHBondContact O-N 3.34Å; A333-S336 PolarHBondContact O-OG 3.02Å; A333-E337 PolarHBondContact O-N 2.9Å
334N57.2Low55.2Low97 Ų97104.7 Ų104.752%0.51955%0.545SS..Hα-helixtrans-66.9-34.9175.3-75.8-5.5000112.4L330 E337 A338L330-N334 WeakPolarHBondContact O-CB 3.15Å; L330-N334 PolarHBondContact O-N 3.44Å; N334-E337 PolarHBondContact O-N 3.48Å; N334-A338 WeakPolarHBondContact O-CB 3.2Å; N334-A338 PolarHBondContact O-N 2.65Å
335K60.3Low55.2Low141 Ų141107.9 Ų107.961%0.61355%0.551SS**Hα-helixtrans-68.6-37.7175-164.6174.1-177.7-178.50112E331 R332 A333 A338 E339E331-K335 VanDerWaalsContact O-CB 3.29Å; E331-K335 WeakPolarHBondContact O-CB 3.23Å; E331-K335 PolarHBondContact O-N 2.88Å; R332-K335 PolarHBondContact O-N 3.16Å; A333-K335 PolarHBondContact O-N 2.84Å; K335-A338 PolarHBondContact O-N 2.83Å; K335-E339 PolarHBondContact O-N 3.44Å
336S55.1Low55.3Low62 Ų62105.8 Ų105.843%0.43454%0.544SS..Hα-helixtrans-67.9-35.4173.254.20000113R332 A333 L340R332-S336 PolarHBondContact O-N 2.89Å; R332-S336 PolarHBondContact O-OG 3.44Å; R332-S336 VanDerWaalsContact O-OG 3.14Å; A333-S336 WeakPolarHBondContact CA-OG 3.41Å; A333-S336 PolarHBondContact O-N 3.34Å; A333-S336 PolarHBondContact O-OG 3.02Å; S336-L340 WeakPolarHBondContact O-CB 3.47Å; S336-L340 PolarHBondContact O-N 2.86Å
337E57.7Low55.3Low108 Ų108104.1 Ų104.151%0.50554%0.535SS..Hα-helixtrans-72.8-33177.1-155.8178.3174.200111.9A333 N334 R341A333-E337 PolarHBondContact O-N 2.9Å; N334-E337 PolarHBondContact O-N 3.48Å; E337-R341 WeakPolarHBondContact O-CG 3.44Å; E337-R341 PolarHBondContact O-N 2.82Å
338A56.5Low55.5Low62 Ų62102.7 Ų102.751%0.51253%0.529SS..Hα-helixtrans-69.9-39.5172.800000113N334 K335 R341 L342N334-A338 WeakPolarHBondContact O-CB 3.2Å; N334-A338 PolarHBondContact O-N 2.65Å; K335-A338 PolarHBondContact O-N 2.83Å; A338-R341 PolarHBondContact O-N 3.36Å; A338-L342 PolarHBondContact O-N 3.22Å
339E57.8Low55.2Low118 Ų118105.5 Ų105.555%0.55154%0.538SS*.Hα-helixtrans-69.9-34.6174.4-74.8-171.8-176.400112.2K335 L342 N343K335-E339 PolarHBondContact O-N 3.44Å; E339-L342 PolarHBondContact O-N 3.04Å; E339-N343 PolarHBondContact O-N 3.21Å
340L52.3Low55.1Low129 Ų129108.9 Ų108.968%0.67555%0.545SS*.Hα-helixtrans-65.2-42.2171.6-113.1116000112.1S336 L342 N343 D344S336-L340 WeakPolarHBondContact O-CB 3.47Å; S336-L340 PolarHBondContact O-N 2.86Å; L340-L342 VanDerWaalsContact C-N 3.31Å; L340-L342 PolarHBondContact O-N 2.87Å; L340-N343 PolarHBondContact O-N 3.42Å; L340-D344 WeakPolarHBondContact O-CB 3.46Å; L340-D344 PolarHBondContact O-N 3.32Å
341R54.5Low55Low175 Ų175108.3 Ų108.366%0.6654%0.543SS*.Hα-helixtrans-70.8-23.4176.6-73.4-161.8-178.2-148.82.1113.9E337 A338 K345E337-R341 WeakPolarHBondContact O-CG 3.44Å; E337-R341 PolarHBondContact O-N 2.82Å; A338-R341 PolarHBondContact O-N 3.36Å; R341-K345 WeakPolarHBondContact O-CG 3.3Å; R341-K345 PolarHBondContact O-N 3.45Å
342L56.8Low54.5Low116 Ų116109.7 Ų109.761%0.60754%0.542SS*.Hα-helixtrans-76.8-41.2173.5-164.274.5000111.2A338 E339 L340 K345 T346A338-L342 PolarHBondContact O-N 3.22Å; E339-L342 PolarHBondContact O-N 3.04Å; L340-L342 VanDerWaalsContact C-N 3.31Å; L340-L342 PolarHBondContact O-N 2.87Å; L342-K345 PolarHBondContact O-N 2.83Å; L342-T346 PolarHBondContact O-N 3.19Å; L342-T346 VanDerWaalsContact O-N 3.09Å; L342-T346 PolarHBondContact O-OG1 2.95Å; L342-T346 VanDerWaalsContact O-OG1 3.04Å
343N54.5Low54.5Low114 Ų114105.7 Ų105.761%0.6153%0.534SS*.Hα-helixtrans-68.5-33.9175.4-85.9-4.5000113.3E339 L340 T346 S347E339-N343 PolarHBondContact O-N 3.21Å; L340-N343 PolarHBondContact O-N 3.42Å; N343-T346 VanDerWaalsContact CA-OG1 3.29Å; N343-T346 WeakPolarHBondContact CA-OG1 3.31Å; N343-T346 PolarHBondContact O-N 3.38Å; N343-T346 PolarHBondContact O-OG1 2.99Å; N343-T346 VanDerWaalsContact O-OG1 3.05Å; N343-S347 WeakPolarHBondContact O-CB 3.14Å; N343-S347 PolarHBondContact O-N 3Å
344D54.4Low54.3Low99 Ų99109.8 Ų109.853%0.52954%0.543SS..Hα-helixtrans-68.7-40.1176.3-153.526.4000110.9L340 S347 I348L340-D344 WeakPolarHBondContact O-CB 3.46Å; L340-D344 PolarHBondContact O-N 3.32Å; D344-S347 PolarHBondContact O-N 2.74Å; D344-S347 PolarHBondContact O-OG 3.16Å; D344-I348 WeakPolarHBondContact O-CD1 3.42Å; D344-I348 VanDerWaalsContact O-CG1 3.25Å; D344-I348 WeakPolarHBondContact O-CG1 3.49Å; D344-I348 PolarHBondContact O-N 2.88Å
345K54.9Low54Low152 Ų152109 Ų10966%0.66154%0.542SS*.Hα-helixtrans-68.1-32.8174.5-77.6-179.2177.3-1780113.8R341 L342 Q349R341-K345 WeakPolarHBondContact O-CG 3.3Å; R341-K345 PolarHBondContact O-N 3.45Å; L342-K345 PolarHBondContact O-N 2.83Å; K345-Q349 VanDerWaalsContact O-CG 3.28Å; K345-Q349 WeakPolarHBondContact O-CG 3.32Å; K345-Q349 PolarHBondContact O-N 3.37Å
346T55.8Low53.4Low68 Ų68107.5 Ų107.542%0.41754%0.539SS..Hα-helixtrans-76.9-33.1174.343.40000112.4L342 N343 Q349 Q350L342-T346 PolarHBondContact O-N 3.19Å; L342-T346 VanDerWaalsContact O-N 3.09Å; L342-T346 PolarHBondContact O-OG1 2.95Å; L342-T346 VanDerWaalsContact O-OG1 3.04Å; N343-T346 VanDerWaalsContact CA-OG1 3.29Å; N343-T346 WeakPolarHBondContact CA-OG1 3.31Å; N343-T346 PolarHBondContact O-N 3.38Å; N343-T346 PolarHBondContact O-OG1 2.99Å; N343-T346 VanDerWaalsContact O-OG1 3.05Å; T346-Q349 PolarHBondContact O-N 3.04Å; T346-Q350 PolarHBondContact O-N 2.6Å
347S50.7Low52.9Low44 Ų44109.4 Ų109.431%0.30854%0.544SS..Hα-helixtrans-66.4-41.6173.779.40000112.3N343 D344 Q349 Q350 D351N343-S347 WeakPolarHBondContact O-CB 3.14Å; N343-S347 PolarHBondContact O-N 3Å; D344-S347 PolarHBondContact O-N 2.74Å; D344-S347 PolarHBondContact O-OG 3.16Å; S347-Q349 VanDerWaalsContact C-N 3.28Å; S347-Q349 PolarHBondContact O-N 3.31Å; S347-Q350 PolarHBondContact O-N 2.94Å; S347-D351 PolarHBondContact O-N 3.22Å
348I54.3Low52.2Low88 Ų88109.8 Ų109.845%0.45155%0.55SS..Hα-helixtrans-66.8-28.7176.2-67166.6000111.8D344 R352D344-I348 WeakPolarHBondContact O-CD1 3.42Å; D344-I348 VanDerWaalsContact O-CG1 3.25Å; D344-I348 WeakPolarHBondContact O-CG1 3.49Å; D344-I348 PolarHBondContact O-N 2.88Å; I348-R352 WeakPolarHBondContact O-CB 3.29Å; I348-R352 WeakPolarHBondContact O-CG 3.41Å; I348-R352 PolarHBondContact O-N 2.83Å
349Q51.5Low51.4Low113 Ų113111.9 Ų111.953%0.52855%0.552SS.*Hα-helixtrans-77.5-37.5173-73.1-73.4-25.400112.3K345 T346 S347 R352 I353K345-Q349 VanDerWaalsContact O-CG 3.28Å; K345-Q349 WeakPolarHBondContact O-CG 3.32Å; K345-Q349 PolarHBondContact O-N 3.37Å; T346-Q349 PolarHBondContact O-N 3.04Å; S347-Q349 VanDerWaalsContact C-N 3.28Å; S347-Q349 PolarHBondContact O-N 3.31Å; Q349-R352 PolarHBondContact O-N 3.39Å; Q349-I353 WeakPolarHBondContact O-CD1 3.1Å; Q349-I353 VanDerWaalsContact O-CG1 3.29Å; Q349-I353 WeakPolarHBondContact O-CG1 3.44Å; Q349-I353 PolarHBondContact O-N 3Å; Q349-I353 VanDerWaalsContact O-N 3.16Å
350Q52.9Low50.5Low126 Ų126111.9 Ų111.959%0.58956%0.556SS**Hα-helixtrans-71.1-34.2175.7-85.1173.6-45.400113.2T346 S347 I353 K354T346-Q350 PolarHBondContact O-N 2.6Å; S347-Q350 PolarHBondContact O-N 2.94Å; Q350-I353 PolarHBondContact O-N 3.42Å; Q350-K354 WeakPolarHBondContact O-CG 3.31Å; Q350-K354 PolarHBondContact O-N 2.62Å; Q350-K354 VanDerWaalsContact O-N 3.07Å
351D49.1Very low49.8Very low93 Ų93111.6 Ų111.650%0.49756%0.555SS.*Hα-helixtrans-72.1-35.8174-80.9-14.3000111.8S347 I353 K354 T355S347-D351 PolarHBondContact O-N 3.22Å; D351-I353 VanDerWaalsContact C-N 3.29Å; D351-I353 PolarHBondContact O-N 2.91Å; D351-K354 PolarHBondContact O-N 2.72Å; D351-T355 PolarHBondContact O-N 3.29Å; D351-T355 PolarHBondContact O-OG1 3.37Å
352R50.8Low48.9Very low167 Ų167107.8 Ų107.863%0.6356%0.555SS**Hα-helixtrans-62.7-33.1170.4-81-176.9173.3-161.7-2113.3I348 Q349 I356I348-R352 WeakPolarHBondContact O-CB 3.29Å; I348-R352 WeakPolarHBondContact O-CG 3.41Å; I348-R352 PolarHBondContact O-N 2.83Å; Q349-R352 PolarHBondContact O-N 3.39Å; R352-I356 WeakPolarHBondContact O-CD1 3.31Å; R352-I356 VanDerWaalsContact O-CG1 3.3Å; R352-I356 WeakPolarHBondContact O-CG1 3.5Å; R352-I356 PolarHBondContact O-N 2.82Å
353I53.6Low47.9Very low101 Ų101109.3 Ų109.352%0.51856%0.562SS.*Hα-helixtrans-75.9-29.4176.4-67.2166.4000111.7Q349 Q350 D351 N357Q349-I353 WeakPolarHBondContact O-CD1 3.1Å; Q349-I353 VanDerWaalsContact O-CG1 3.29Å; Q349-I353 WeakPolarHBondContact O-CG1 3.44Å; Q349-I353 PolarHBondContact O-N 3Å; Q349-I353 VanDerWaalsContact O-N 3.16Å; Q350-I353 PolarHBondContact O-N 3.42Å; D351-I353 VanDerWaalsContact C-N 3.29Å; D351-I353 PolarHBondContact O-N 2.91Å; I353-N357 PolarHBondContact O-N 3.11Å
354K49.8Very low46.9Very low133 Ų133110.3 Ų110.358%0.57857%0.566SS**Hα-helixtrans-75.4-34.6174.7-75.4175.8-176.8171.60113.1Q350 D351 N357 N358Q350-K354 WeakPolarHBondContact O-CG 3.31Å; Q350-K354 PolarHBondContact O-N 2.62Å; Q350-K354 VanDerWaalsContact O-N 3.07Å; D351-K354 PolarHBondContact O-N 2.72Å; K354-N357 PolarHBondContact O-N 3.35Å; K354-N358 PolarHBondContact O-N 2.92Å; K354-N358 VanDerWaalsContact O-N 3.15Å
355T50.3Low46Very low81 Ų81111.9 Ų111.950%0.49758%0.58SS.*Hα-helixtrans-68-38.2176.1-40.90000111.5D351 N357 N358 D359D351-T355 PolarHBondContact O-N 3.29Å; D351-T355 PolarHBondContact O-OG1 3.37Å; T355-N357 VanDerWaalsContact C-N 3.29Å; T355-N357 PolarHBondContact O-N 3.35Å; T355-N358 PolarHBondContact O-N 2.92Å; T355-D359 PolarHBondContact O-N 3.47Å
356I47.9Very low44.7Very low109 Ų109110.4 Ų110.456%0.55958%0.584SS**Hα-helixtrans-67.1-27.8176.6-65.7167.5000112.4R352 N360R352-I356 WeakPolarHBondContact O-CD1 3.31Å; R352-I356 VanDerWaalsContact O-CG1 3.3Å; R352-I356 WeakPolarHBondContact O-CG1 3.5Å; R352-I356 PolarHBondContact O-N 2.82Å; I356-N360 PolarHBondContact O-ND2 3.31Å
357N44.1Very low43.6Very low102 Ų102114 Ų11455%0.54560%0.601SS.*Hα-helixtrans-84.9-20.8176-88.5-4.6000114.1I353 K354 T355 N361I353-N357 PolarHBondContact O-N 3.11Å; K354-N357 PolarHBondContact O-N 3.35Å; T355-N357 VanDerWaalsContact C-N 3.29Å; T355-N357 PolarHBondContact O-N 3.35Å; N357-N361 PolarHBondContact O-ND2 2.65Å
358N43.9Very low42.8Very low116 Ų116118.3 Ų118.362%0.6263%0.625SS**Hα-helixtrans-84.6-29176.9-95.81.7000113.1K354 T355 N360 N361K354-N358 PolarHBondContact O-N 2.92Å; K354-N358 VanDerWaalsContact O-N 3.15Å; T355-N358 PolarHBondContact O-N 2.92Å; N358-N360 PolarHBondContact O-N 3.48Å; N358-N361 PolarHBondContact O-N 2.9Å
359D39.8Very low41.8Very low105 Ų105118 Ų11856%0.56164%0.635SS**THydrogen-bonded Turntrans-70.7-19.2175.8-67.6-21.3000112.8T355T355-D359 PolarHBondContact O-N 3.47Å
360N39.1Very low40.8Very low119 Ų119119.6 Ų119.664%0.63665%0.648SS**THydrogen-bonded Turntrans-88.3-10.7175.7-71.3-32.6000113.9I356 N358I356-N360 PolarHBondContact O-ND2 3.31Å; N358-N360 PolarHBondContact O-N 3.48Å
361N38.2Very low39.8Very low123 Ų123119.2 Ų119.266%0.65865%0.654SS**THydrogen-bonded Turntrans-109.6-2.6-177.4-75.5-22000113.8N357 N358 I363N357-N361 PolarHBondContact O-ND2 2.65Å; N358-N361 PolarHBondContact O-N 2.9Å; N361-I363 VanDerWaalsContact C-N 3.33Å; N361-I363 PolarHBondContact O-N 3.49Å
362S35.5Very low38.8Very low94 Ų94124.2 Ų124.266%0.65767%0.671SS**THydrogen-bonded Turntrans-88.312.1-179.466.70000114.9
363I34.7Very low37.8Very low148 Ų148120.8 Ų120.876%0.75967%0.673SS**THydrogen-bonded Turntrans-99.6-4.8179.6-67177.2000112.5N361N361-I363 VanDerWaalsContact C-N 3.33Å; N361-I363 PolarHBondContact O-N 3.49Å
364I33.9Very low36.7Very low135 Ų135122.6 Ų122.669%0.69268%0.684SS**SBendtrans-128.3129.5-173.5-53-180000110.2
365T34.4Very low35.7Very low132 Ų132123 Ų12381%0.8169%0.692SS**  trans81.585.1165.231.10000119.2
366T29.2Very low34.8Very low121 Ų121128.1 Ų128.174%0.74271%0.71SS**  trans-57.3156.1145.637.30000113.7
367N31.9Very low33.9Very low145 Ų145130.4 Ų130.478%0.77572%0.724SS**  trans94.1126.5154.4-57.9-22.9000120.2
368T35.1Very low33.2Very low133 Ų133134.4 Ų134.482%0.81674%0.736SS**  trans117.986.3139.6-27.30000117.7
369A32.4Very low32.4Very low81 Ų81134.3 Ų134.367%0.66974%0.74SS**  32.7131.9124.700000123.4
370N30.1Very low31.9Very low148 Ų148136.5 Ų136.579%0.79175%0.751SS**  90.8127128.2-76.4-9.5000123.6
371T32.5Very low31.5Very low118 Ų118138.3 Ų138.372%0.72476%0.76SS**  trans89.1111.3137.3410000122.9
372K28.8Very low31Very low197 Ų197138.2 Ų138.286%0.85776%0.764SS**  68.9114.7126.6-79.8-177.8177.5177.90121.4
373S29Very low30.7Very low96 Ų96138.4 Ų138.467%0.67177%0.771SS**  91.1120.2114-162.50000120.3
374N29.4Very low30.4Very low139 Ų139141 Ų14174%0.74378%0.78SS**  trans90.1129.1145.6-73.4-10000121.6
375N28.8Very low30.1Very low140 Ų140141.2 Ų141.275%0.74978%0.781SS**  trans72.8103.4153.7-63-14000117.2
376H33.2Very low29.9Very low190 Ų190141.5 Ų141.588%0.8878%0.776SS**  -164.6127.1120.7-113-76.7000112.6K378H376-K378 PolarHBondContact O-N 2.92Å
377N28.5Very low29.7Very low157 Ų157142.8 Ų142.884%0.8478%0.778SS**  trans-43.2121161.2-77.6-27.9000112
378K28.8Very low29.5Very low185 Ų185143 Ų14380%0.80478%0.779SS**  trans-165.597.7146-119.6173178.91760110.3H376 N380H376-K378 PolarHBondContact O-N 2.92Å; K378-N380 PolarHBondContact O-N 3.01Å
379T27.1Very low29.1Very low114 Ų114143.6 Ų143.670%0.69978%0.777SS**  trans16.599.6132.449.10000115.5
380N29.8Very low28.7Very low151 Ų151142.5 Ų142.581%0.80777%0.768SS**  trans-129.182.6157.1-95.4-9.9000108.8K378 T382K378-N380 PolarHBondContact O-N 3.01Å; N380-T382 VanDerWaalsContact C-N 3.31Å; N380-T382 PolarHBondContact O-N 3.31Å
381I29.7Very low28.7Very low158 Ų158139.8 Ų139.881%0.8175%0.751SS**  trans-7085.7161.2-61.8163000105.8
382T28.3Very low28.6Very low120 Ų120135.9 Ų135.974%0.73673%0.726SS**  trans-170.475.2172.9330000111.3N380N380-T382 VanDerWaalsContact C-N 3.31Å; N380-T382 PolarHBondContact O-N 3.31Å
383A28.6Very low28.5Very low98 Ų98128.5 Ų128.581%0.8170%0.698SS**  trans-153.48.4158.800000114.4I385A383-I385 PolarHBondContact O-N 2.77Å
384E28.6Very low28.8Very low202 Ų202125.8 Ų125.894%0.94468%0.676SS**  trans-87.376.5167.8-89-173144.400109.6
385I28.8Very low29.1Very low140 Ų140121.9 Ų121.972%0.71866%0.655SS**  trans-120.4102.7168.7-65.5-175.3000107A383A383-I385 PolarHBondContact O-N 2.77Å
386I28.5Very low29.2Very low138 Ų138117.7 Ų117.771%0.70864%0.635SS**  trans7378.4154.9-48.6163.1000114.9
387N26.3Very low29.2Very low148 Ų148110.3 Ų110.379%0.79160%0.602SS**  trans-119.672.8149.1-145.44.1000107.6D389N387-D389 PolarHBondContact O-N 3.16Å; N387-D389 VanDerWaalsContact O-N 3.12Å
388L27.5Very low29.4Very low151 Ų151109 Ų10979%0.79159%0.589SS**  trans-8361.8174.3-102.5131.1000108.8
389D25.3Very low29.5Very low144 Ų144104 Ų10477%0.7757%0.574SS**  trans-116.470.2-176.3-132.911000109N387N387-D389 PolarHBondContact O-N 3.16Å; N387-D389 VanDerWaalsContact O-N 3.12Å
390A25.9Very low29.6Very low58 Ų58102.9 Ų102.948%0.47956%0.563SS.*  trans-170.381.6171.600000110.6P542A390-P542 HydrophobicContact CB-CB 3.91Å
391Q29.3Very low29.6Very low92 Ų9298.7 Ų98.743%0.4354%0.544SS..SBendtrans-133.1115.9165.7-86.1171.22.500109.2T242T242-Q391 HydrophobicContact CG2-CB 4.28Å
392T30.6Very low29.6Very low35 Ų3595.8 Ų95.822%0.21553%0.527CS..  trans39.4109.4170.753.50000116.2I394 L540T392-I394 PolarHBondContact O-N 2.9Å; T392-L540 HydrophobicContact CG2-CD2 3.57Å; T392-L540 HydrophobicContact CG2-CG 3.81Å
393P25.8Very low29.4Very low42 Ų4294.7 Ų94.727%0.27353%0.53SS..  trans-73.784.1158.532.1-24.4000106.2I395 D552P393-I395 HydrophobicContact CB-CG1 3.8Å; P393-I395 PolarHBondContact O-N 3.18Å; P393-D552 WeakPolarHBondContact CG-OD1 3.44Å
394I36.7Very low29.4Very low39 Ų3994.6 Ų94.620%0.252%0.519CS..  trans-7088.6141.8-56-179.3000101.9M176 T392 P396M176-I394 HydrophobicContact SD-CD1 4.48Å; M176-I394 HydrophobicContact SD-CG2 4.43Å; T392-I394 PolarHBondContact O-N 2.9Å; I394-P396 WeakPolarHBondContact O-CD 3.25Å
395I34.4Very low29.3Very low57 Ų5791 Ų9129%0.29251%0.511SS..  trans-57.3111.7-172.9-64.2166.9000105.4I97 P393 L397I97-I395 HydrophobicContact CB-CD1 4.15Å; I97-I395 HydrophobicContact CD1-CD1 3.87Å; I97-I395 HydrophobicContact CG2-CD1 3.32Å; P393-I395 HydrophobicContact CB-CG1 3.8Å; P393-I395 PolarHBondContact O-N 3.18Å; I395-L397 PolarHBondContact O-N 3.2Å
396P31.9Very low29.1Very low53 Ų5393.7 Ų93.734%0.34451%0.512SS..  trans-56.6140.6174.124.1-30.6000105.8I394 K398I394-P396 WeakPolarHBondContact O-CD 3.25Å; P396-K398 PolarHBondContact O-N 2.94Å
397L33.3Very low28.9Very low34 Ų3494.9 Ų94.918%0.17852%0.518CS..  trans-61.777.7166.7-132.3120.6000107.5W147 A151 N154 I395 T399W147-L397 HydrophobicContact CD2-CD1 4.35Å; W147-L397 HydrophobicContact CZ2-CD1 3.82Å; A151-L397 HydrophobicContact CB-CD1 4.16Å; A151-L397 HydrophobicContact CB-CD2 4.38Å; N154-L397 HydrophobicContact CB-CD2 3.62Å; N154-L397 WeakPolarHBondContact ND2-CD2 2.84Å; I395-L397 PolarHBondContact O-N 3.2Å; L397-T399 PolarHBondContact O-N 2.99Å
398K32Very low29.1Very low130 Ų13096.7 Ų96.757%0.56552%0.519SS*.  trans-67.9118.2176.7-148.9-173.2-170.8-155.50103.6D57 P396 I400D57-K398 IonicContact OD1-NZ 2.82Å; D57-K398 PolarHBondContact OD1-NZ 2.97Å; P396-K398 PolarHBondContact O-N 2.94Å; K398-I400 PolarHBondContact O-N 3.31Å; K398-I400 VanDerWaalsContact O-N 3.09Å
399T31Very low29Very low79 Ų7995.7 Ų95.749%0.48552%0.52SS..  trans-37.5116.3175.636.90000110L236 L397 P401L236-T399 HydrophobicContact CD2-CG2 4.46Å; L397-T399 PolarHBondContact O-N 2.99Å; T399-P401 WeakPolarHBondContact O-CD 3.44Å; T399-P401 VanDerWaalsContact O-N 3.16Å
400I30.1Very low29.1Very low91 Ų9193.8 Ų93.847%0.46752%0.524SS..  trans-49.4122.1158.5-63.5170000105T155 K398 E402T155-I400 HydrophobicContact CG2-CD1 4.4Å; K398-I400 PolarHBondContact O-N 3.31Å; K398-I400 VanDerWaalsContact O-N 3.09Å; I400-E402 PolarHBondContact O-N 3.29Å; I400-E402 VanDerWaalsContact O-N 3.12Å
401P29.9Very low29.1Very low63 Ų6394.2 Ų94.241%0.40953%0.534SS..  trans-57.4124.3-175.2-21.730.9000109.5F58 T399 A403F58-P401 HydrophobicContact CE1-CB 3.93Å; F58-P401 HydrophobicContact CE1-CG 3.92Å; F58-P401 HydrophobicContact CZ-CB 3.64Å; F58-P401 HydrophobicContact CZ-CG 4.1Å; T399-P401 WeakPolarHBondContact O-CD 3.44Å; T399-P401 VanDerWaalsContact O-N 3.16Å; P401-A403 VanDerWaalsContact C-N 3.3Å; P401-A403 PolarHBondContact O-N 2.65Å
402E28.6Very low29Very low98 Ų9897.2 Ų97.246%0.45855%0.553SS.*  trans-58.791.7170.3-71.6-176.7146.900109.1T157 I400 T404T157-E402 HydrophobicContact CG2-CG 4.12Å; I400-E402 PolarHBondContact O-N 3.29Å; I400-E402 VanDerWaalsContact O-N 3.12Å; E402-T404 PolarHBondContact O-N 3Å; E402-T404 VanDerWaalsContact O-N 3.14Å
403A24.3Very low28.7Very low96 Ų96100.8 Ų100.879%0.79358%0.579SS**  trans-82.458.3161.600000109.5P401P401-A403 VanDerWaalsContact C-N 3.3Å; P401-A403 PolarHBondContact O-N 2.65Å
404T27.7Very low28.8Very low96 Ų96105.4 Ų105.459%0.58960%0.599SS**SBendtrans-161.2103.2164.1-21.20000112.4E402E402-T404 PolarHBondContact O-N 3Å; E402-T404 VanDerWaalsContact O-N 3.14Å
405T27Very low28.2Very low126 Ų126112.2 Ų112.277%0.77363%0.629SS**  trans55.680.114956.40000118.4
406R25.2Very low27.8Very low197 Ų197115 Ų11574%0.74365%0.649SS**  trans-120.770.3145.8-77.3-163.1-156-175.910111K408R406-K408 PolarHBondContact O-N 3.17Å
407I24.8Very low27.6Very low164 Ų164118.4 Ų118.484%0.84167%0.669SS**  trans-79.298.7149.9-61.4173.8000105.4
408K29.4Very low27.4Very low185 Ų185124 Ų12480%0.80471%0.705SS**  trans-131.792.1159.8-96.3-173.5177.4178.70108.8R406R406-K408 PolarHBondContact O-N 3.17Å
409T25.7Very low27.2Very low131 Ų131121.3 Ų121.380%0.80471%0.714SS**  trans54.883137.758.80000116.6
410A27Very low27Very low103 Ų103126.9 Ų126.985%0.85173%0.731SS**  trans-114.4138.9132.400000106.5
411G27.3Very low26.8Very low67 Ų67131.7 Ų131.769%0.69175%0.749SS**  trans-61160.8-159.900000116.3
412D26.4Very low26.7Very low156 Ų156137.7 Ų137.783%0.83477%0.774SS**  trans84.5108.4153.1-52.8-23.7000118.5
413S25.4Very low26.8Very low109 Ų109141.4 Ų141.476%0.76279%0.791SS**  trans60.4104.1146.7460000118.9
414M26.4Very low26.9Very low139 Ų139143 Ų14369%0.68579%0.791SS**  -168120.4109.9-150.7144.412800111.7V416M414-V416 HydrophobicContact CE-CG2 4.03Å; M414-V416 HydrophobicContact CG-CG2 4.43Å
415Q24.1Very low26.8Very low182 Ų182147.6 Ų147.685%0.8580%0.803SS**  trans-75.3130.7158.5-67-166.8-12.200108.9
416V27.2Very low27Very low115 Ų115150.4 Ų150.470%0.69781%0.805SS**  trans-149.3101.7144.7-174.20000110.4M414M414-V416 HydrophobicContact CE-CG2 4.03Å; M414-V416 HydrophobicContact CG-CG2 4.43Å
417T27.5Very low27.3Very low126 Ų126148.8 Ų148.877%0.77381%0.81SS**  trans10.2109.8139.2-32.60000118.5G419T417-G419 PolarHBondContact O-N 2.82Å
418T28.1Very low27.4Very low150 Ų150150.5 Ų150.592%0.9281%0.812SS**  trans-82105.7163.917.40000110.8
419G28.1Very low27.5Very low74 Ų74147.1 Ų147.176%0.76381%0.811SS**  trans-97.6110.7171.400000112.5T417T417-G419 PolarHBondContact O-N 2.82Å
420K27.2Very low27.8Very low196 Ų196146.4 Ų146.485%0.85281%0.812SS**  trans-7.7144.9159.8-78171.8175.8170.20121.1
421K25.4Very low28Very low193 Ų193147 Ų14784%0.83981%0.81SS**  trans91109.3141-82176175-1770119.7
422M27.8Very low28.1Very low189 Ų189153.2 Ų153.293%0.93182%0.817SS**  trans-16791.5131.7-127.6166.4175.500109.6
423Q30.8Very low28.3Very low176 Ų176152.5 Ų152.582%0.82282%0.819SS**  48.494.698.3-81.7-165-17.700117.3
424T25.6Very low28.6Very low129 Ų129152.4 Ų152.479%0.79182%0.818SS**  trans8.2114.613344.30000119.7
425K27.4Very low28.8Very low192 Ų192150.6 Ų150.684%0.83582%0.819SS**  trans173.3126.5139.5-95.6162.7-175.5-1790104.3
426F31.1Very low29.1Very low186 Ų186146.5 Ų146.582%0.81682%0.817SS**  -169.4124.598.5-103.6-93.8000110.5
427L31.6Very low29.4Very low162 Ų162145.4 Ų145.485%0.84881%0.814SS**  trans74.6132.4144.4-63.4171.9000122.7
428K25.8Very low29.6Very low201 Ų201145.4 Ų145.487%0.87481%0.809SS**  trans-125.6118-170.3-177.8-175.1-169.8-179.30105.6
429S31.8Very low29.8Very low113 Ų113148.1 Ų148.179%0.7980%0.804SS**  trans-150.7101.815562.60000107.3
430S30.9Very low29.8Very low117 Ų117150 Ų15082%0.81881%0.805SS**  57.5106.2105.4-152.60000111.4
431S33Very low29.8Very low116 Ų116145.5 Ų145.581%0.81181%0.805SS**  -164.5150.974.948.60000113.6
432K28.5Very low30.1Very low196 Ų196141.5 Ų141.585%0.85281%0.807SS**  trans-60.5141.5179.4-62.5164.2174.2175.30113.4
433T30.3Very low30.1Very low141 Ų141136.7 Ų136.787%0.86580%0.798SS**  178.2125.3109.134.40000113.7
434S31.1Very low30Very low107 Ų107133.4 Ų133.475%0.74879%0.794SS**  trans80.5116.4140.1-1480000123.1
435S31.8Very low30.4Very low101 Ų101135 Ų13571%0.70680%0.796SS**  trans67104.3140.650.10000118.9
436A30.9Very low30.7Very low96 Ų96131.4 Ų131.479%0.79379%0.79SS**  85.7133.883.300000111.7
437S32Very low30.7Very low92 Ų92127.7 Ų127.764%0.64379%0.788SS**  cis177.5145.66.950.70000110.4
438L32Very low30.8Very low127 Ų127125 Ų12567%0.66579%0.789SS**  trans79140.9150.1-50.8141.7000118.8
439Y33.4Very low31Very low207 Ų207123.4 Ų123.481%0.81279%0.79SS**  cis-150.8144.826.2-89.3-80.8000113.3
440S26.8Very low31.1Very low113 Ų113123.8 Ų123.879%0.7979%0.792SS**  trans-131.8162.7157.561.70000109.5
441A28.5Very low31.1Very low102 Ų102125.9 Ų125.984%0.84379%0.794SS**  trans83.8123.4169.200000118.3
442A30.4Very low31Very low108 Ų108127.6 Ų127.689%0.89380%0.799SS**  169.3153.181.900000111.4
443A28.3Very low30.9Very low89 Ų89123.9 Ų123.974%0.73680%0.798SS**  trans-109.3162.4-174.500000113.2
444S28.2Very low30.8Very low106 Ų106120 Ų12074%0.74179%0.787SS**  trans85.5149.3145.7-52.70000121.8
445I34Very low30.7Very low162 Ų162122 Ų12283%0.83179%0.794SS**  trans95.9135.7161.9-53168.2000114.7
446T34.6Very low30.4Very low117 Ų117126 Ų12672%0.71880%0.802SS**  cis-173.1152.9-19.9-76.40000105.3
447S30.1Very low30.5Very low109 Ų109126.1 Ų126.176%0.76280%0.795SS**  trans-46.2149.8174.954.90000118.5
448A33.5Very low30.4Very low106 Ų106130.1 Ų130.188%0.87681%0.807SS**  trans-158.1124.5139.700000112.1
449N30.4Very low30.1Very low167 Ų167133.7 Ų133.789%0.89382%0.817SS**  trans-78.3149.5170.9-89.8-25.5000111.7
450S35.5Very low29.9Very low120 Ų120129.5 Ų129.584%0.83982%0.818SS**  trans-168.7117.1135.953.10000112.4
451N29.1Very low29.9Very low162 Ų162130.8 Ų130.887%0.86682%0.816SS**  trans-61.7141.8164.6-67.8-37.6000111.8
452V30.9Very low30Very low151 Ų151135.4 Ų135.492%0.91582%0.817SS**  trans-151.2140140.4175.30000109.7
453S27Very low29.9Very low119 Ų119135.6 Ų135.683%0.83281%0.808SS**  trans-86.1167.8-169.9-179.50000115.3
454G28.4Very low30.1Very low60 Ų60138.3 Ų138.362%0.61981%0.808SS**  trans89.8137.4159.700000114.4
455T29.6Very low30.1Very low148 Ų148140 Ų14091%0.90881%0.808SS**  cis-170.815019.412.40000107.5
456Q24.9Very low30.3Very low184 Ų184140.8 Ų140.886%0.8681%0.81SS**  trans-87.9-162.8169.8-70.7-147.5-1300112.2
457P33.2Very low30.2Very low100 Ų100143.6 Ų143.665%0.64981%0.812SS**  -129.4154.2-80.738.5-22.4000113.1
458I29.7Very low30.2Very low176 Ų176145 Ų14590%0.90381%0.811SS**  trans-147135166.6-58.2-177.7000113.2
459K25.5Very low30.2Very low201 Ų201149.3 Ų149.387%0.87481%0.81SS**  trans-59.4158.2173.5-69.9170.9171.4175.80114.8
460S28.8Very low30.4Very low120 Ų120148.3 Ų148.384%0.83980%0.803SS**  trans-172.4125140.51730000112.8
461D26.6Very low30.5Very low140 Ų140150.3 Ų150.375%0.74980%0.803SS**  trans-50.8160.4167.2-82.8-52.8000115.5
462K32.3Very low30.6Very low198 Ų198149.5 Ų149.586%0.86180%0.798SS**  trans-158.995.2140.8-107.5172.2-166.9-179.10112.2
463T27.3Very low30.8Very low113 Ų113148.8 Ų148.869%0.69379%0.79SS**  trans-75.2135.1158-31.90000108.9
464I33.4Very low31Very low146 Ų146151.1 Ų151.175%0.74979%0.785SS**  trans-122.9109.3168.3-63.6179.3000108.8
465I26.6Very low31.3Very low142 Ų142155.9 Ų155.973%0.72879%0.791SS**  trans-111.8129163.7-64.5173000106.3
466M38.3Very low31.3Very low177 Ų177153.9 Ų153.987%0.87278%0.778SS**  trans-130.5104.1156.7-76.5-168.8-166.700106.1
467K32.5Very low31.8Very low177 Ų177152.1 Ų152.177%0.7778%0.775SS**  71.8101.483.6-87.6-170.6171.3178.70115.7
468D30.6Very low31.8Very low137 Ų137153.6 Ų153.673%0.73378%0.777SS**  53.3121.4125.1-55.5-25.9000123.2
469K33.7Very low31.8Very low197 Ų197154.3 Ų154.386%0.85777%0.77SS**  -178.5102119.4-105.7174.6175.3178.40109.4
470I33.7Very low32.2Very low147 Ų147151.1 Ų151.175%0.75476%0.762SS**  47.4112.396.7-48.6175.6000113.2
471I38.1Very low32.1Very low162 Ų162155.5 Ų155.583%0.83177%0.766SS**  -179.9122.2115.7-83.9162.4000109
472N32.2Very low32.3Very low144 Ų144158.1 Ų158.177%0.7777%0.771SS**  trans-61140.8167.4-73.6-38.5000111.8
473N34.3Very low32.4Very low137 Ų137153.8 Ų153.873%0.73376%0.761SS**  169.8136.8106.6-115.9-26.6000112.8
474K31.5Very low32.5Very low168 Ų168155.2 Ų155.273%0.7377%0.774SS**  trans38.3116.2139.3-77.1175.7172.6178.40119.1
475H33.6Very low32.5Very low160 Ų160157 Ų15774%0.74178%0.776SS**  174135.682-120.2-71.2000110.3
476T30.8Very low32.6Very low105 Ų105158 Ų15864%0.64478%0.783SS**  trans-24.6129.5157.151.30000116.3
477N34.8Very low32.5Very low148 Ų148154.5 Ų154.579%0.79178%0.776SS**  176.8121.7123.5-92.6-21.6000113.7
478N34.1Very low32.8Very low130 Ų130151.6 Ų151.670%0.69578%0.778SS**  59.5128.2129.2-106.8-11000123.1
479Y29.4Very low33.1Very low191 Ų191151.9 Ų151.975%0.74978%0.778SS**  trans74.4124.3145.2-81.1-76.9000122.3
480N32.9Very low33.1Very low135 Ų135149.5 Ų149.572%0.72277%0.774SS**  trans76.592.6140.3-73.5-24.1000120.9K482N480-K482 PolarHBondContact O-N 3.13Å; N480-K482 VanDerWaalsContact O-N 3.15Å
481K28.2Very low33.1Very low211 Ų211152.8 Ų152.892%0.91778%0.778SS**  trans-21.2102.3130.8-160.2179.3-160.8174.10114.3
482K30.1Very low32.9Very low195 Ų195156.4 Ų156.485%0.84878%0.781SS**  trans-172.9150.2152.5-115.6172.7-173.5174.80112.2N480N480-K482 PolarHBondContact O-N 3.13Å; N480-K482 VanDerWaalsContact O-N 3.15Å
483V33.6Very low33Very low107 Ų107158.5 Ų158.565%0.64878%0.783SS**  trans92.8102.5158.2-162.40000117.2K485V483-K485 HydrophobicContact CG1-CB 3.64Å; V483-K485 HydrophobicContact CG1-CD 4.41Å; V483-K485 HydrophobicContact CG1-CG 4.13Å
484C29.8Very low33.1Very low144 Ų144158.2 Ų158.297%0.97379%0.786SS**  trans-101.9109.5137.3-80.50000106.9
485K33.3Very low33.4Very low183 Ų183155.7 Ų155.780%0.79679%0.79SS**  trans-117.1127.5169.9-116.7-178.5176.8-179.50107.9V483V483-K485 HydrophobicContact CG1-CB 3.64Å; V483-K485 HydrophobicContact CG1-CD 4.41Å; V483-K485 HydrophobicContact CG1-CG 4.13Å
486N29.3Very low33.4Very low164 Ų164159.3 Ų159.388%0.87780%0.797SS**  trans6.1130156.4-70.1-3.5000120.1
487S35.8Very low33.6Very low102 Ų102162.9 Ų162.971%0.71381%0.806SS**  trans-160.7111.7136.2-175.30000111.2
488S38.8Very low33.5Very low116 Ų116163.9 Ų163.981%0.81180%0.804SS**  trans169.985.3151.631.20000108
489I38.3Very low33.3Very low143 Ų143167.1 Ų167.173%0.73382%0.815SS**  68.794.687.4-65.3172.9000113
490N32.4Very low33.3Very low147 Ų147167.1 Ų167.179%0.78681%0.813SS**  trans36.899.9133.5-60.2-12000120.6
491R34.3Very low33.2Very low217 Ų217170.3 Ų170.382%0.81982%0.821SS**  trans175.8111.8145.2-124.4167.9-80-177.7-8.2106.7
492W32.5Very low33.4Very low237 Ų237166.1 Ų166.190%0.89882%0.818SS**  -165.1135.766.3-84.981.5000109.6
493K35.8Very low33.6Very low188 Ų188162.9 Ų162.982%0.81781%0.809SS**  trans-67.9160.3170.5-87.3174.3171.8175.90111.3
494T36.9Very low33.8Very low131 Ų131162.3 Ų162.380%0.80480%0.802SS**  trans73.190.215043.70000119.6
495S37.3Very low34.4Very low116 Ų116160.6 Ų160.681%0.81179%0.791SS**  -149.1104.4124.9-172.40000109.5H497S495-H497 PolarHBondContact O-N 2.9Å; S495-H497 VanDerWaalsContact O-N 3.12Å
496R33.4Very low34.7Very low235 Ų235158.3 Ų158.389%0.88779%0.788SS**  trans-72.890.7168.3-80.1-178.6-121.9171.5-0.9107.5
497H35.5Very low35.2Very low180 Ų180157 Ų15783%0.83378%0.775SS**  trans-154.1123.5150.9-106.6-71.4000108.1S495S495-H497 PolarHBondContact O-N 2.9Å; S495-H497 VanDerWaalsContact O-N 3.12Å
498F32Very low35.6Very low169 Ų169158.8 Ų158.874%0.74178%0.776SS**  trans90.153.3171.9-127.2-100000118.6R500F498-R500 HydrophobicContact CD1-CB 4.14Å; F498-R500 WeakPolarHBondContact CD1-O 3.23Å; F498-R500 HydrophobicContact CE1-CB 3.73Å; F498-R500 VanDerWaalsContact CE1-O 3.24Å; F498-R500 WeakPolarHBondContact CE1-O 3.5Å; F498-R500 HydrophobicContact CZ-CB 4.12Å; F498-R500 PolarHBondContact O-N 2.77Å
499Q29.1Very low35.9Very low198 Ų198156.1 Ų156.193%0.92576%0.757SS**  trans-56.482.6139.6-84.5-85.6-26.600110.1
500R29.5Very low36.5Very low191 Ų191151.5 Ų151.572%0.72174%0.737SS**  trans-174.590.7159.8-113.7175.4-168.8172.34.1110.6F498F498-R500 HydrophobicContact CD1-CB 4.14Å; F498-R500 WeakPolarHBondContact CD1-O 3.23Å; F498-R500 HydrophobicContact CE1-CB 3.73Å; F498-R500 VanDerWaalsContact CE1-O 3.24Å; F498-R500 WeakPolarHBondContact CE1-O 3.5Å; F498-R500 HydrophobicContact CZ-CB 4.12Å; F498-R500 PolarHBondContact O-N 2.77Å
501K31.3Very low37.8Very low203 Ų203148.5 Ų148.588%0.88373%0.726SS**  trans-155.225.3159.3-132.9172.6-174.9175.10115.2
502S31.9Very low39.3Very low122 Ų122140.5 Ų140.585%0.85371%0.706SS**SBendtrans-108.916171.673.60000113.7
503I34.9Very low40.9Very low128 Ų128132.1 Ų132.166%0.65668%0.678SS**SBendtrans-128.1107.1170.6-60.6170.8000103.7
504D37Very low42Very low95 Ų95128.6 Ų128.651%0.50866%0.66SS.*  trans171.917.6161.4-87.6-14.8000114.3N506 F507D504-N506 PolarHBondContact O-N 3.4Å; D504-N506 VanDerWaalsContact O-N 3.13Å; D504-F507 HydrophobicContact CB-CB 4.18Å; D504-F507 PolarHBondContact O-N 3.12Å; D504-F507 WeakPolarHBondContact OD1-CB 3.27Å
505S42.1Very low43.5Very low107 Ų107126.4 Ų126.475%0.74864%0.642SS**THydrogen-bonded Turntrans-66.8-7.5168.455.40000113.6
506N40.9Very low45.2Very low135 Ų135127 Ų12772%0.72263%0.63SS**THydrogen-bonded Turntrans-109.8-3.7174.7-68.2-18.3000114.1D504 S509D504-N506 PolarHBondContact O-N 3.4Å; D504-N506 VanDerWaalsContact O-N 3.13Å; N506-S509 PolarHBondContact O-OG 3.35Å
507F39.9Very low46.7Very low138 Ų138120.5 Ų120.561%0.60561%0.61SS**THydrogen-bonded Turntrans-94.4-20.2174.9-166.7-107.7000112.2D504 S509D504-F507 HydrophobicContact CB-CB 4.18Å; D504-F507 PolarHBondContact O-N 3.12Å; D504-F507 WeakPolarHBondContact OD1-CB 3.27Å; F507-S509 PolarHBondContact O-N 3.43Å
508L43.7Very low48.1Very low139 Ų139114.9 Ų114.973%0.72859%0.586SS**THydrogen-bonded Turntrans-78.14.1178.9-127.880.7000114.7
509S45.9Very low49.9Very low59 Ų59113.2 Ų113.241%0.41357%0.574SS.*THydrogen-bonded Turntrans-104.96.9178.661.40000114N506 F507 R514N506-S509 PolarHBondContact O-OG 3.35Å; F507-S509 PolarHBondContact O-N 3.43Å; S509-R514 PolarHBondContact O-NH2 2.95Å
510S50.7Low52Low47 Ų47109.7 Ų109.733%0.32956%0.556SS.*  trans-72131.6-179.1-176.90000112.1A512 I513S510-A512 PolarHBondContact O-N 3.41Å; S510-I513 PolarHBondContact O-N 3.1Å
511P59.3Low53.7Low83 Ų83102.2 Ų102.254%0.53954%0.535SS..Hα-helixtrans-53.6-25.1176.119.3-30.4000113.3I513 R514 I515P511-I513 VanDerWaalsContact C-N 3.34Å; P511-I513 PolarHBondContact O-N 2.97Å; P511-R514 PolarHBondContact O-N 3.28Å; P511-I515 VanDerWaalsContact O-CG1 3.31Å; P511-I515 WeakPolarHBondContact O-CG1 3.45Å; P511-I515 PolarHBondContact O-N 2.91Å
512A66.1Low55.3Low49 Ų4995.7 Ų95.741%0.40551%0.509SS..Hα-helixtrans-62.8-34.2176.100000113.8S510 K516S510-A512 PolarHBondContact O-N 3.41Å; A512-K516 WeakPolarHBondContact O-CG 3.48Å; A512-K516 PolarHBondContact O-N 2.02Å; A512-K516 VanDerWaalsContact O-N 3.16Å
513I65Low57.2Low61 Ų6195.7 Ų95.731%0.31349%0.494SS..Hα-helixtrans-73.2-42178.3-63.4171000109.9S510 P511 K516 E517S510-I513 PolarHBondContact O-N 3.1Å; P511-I513 VanDerWaalsContact C-N 3.34Å; P511-I513 PolarHBondContact O-N 2.97Å; I513-K516 PolarHBondContact O-N 2.67Å; I513-E517 PolarHBondContact O-N 2.85Å
514R59.1Low58.7Low115 Ų11592.4 Ų92.443%0.43449%0.486SS..Hα-helixtrans-61.1-44.9174.6-84.7-170.5-79-106-3.8112.4S509 P511 K516 E517 I518S509-R514 PolarHBondContact O-NH2 2.95Å; P511-R514 PolarHBondContact O-N 3.28Å; R514-K516 VanDerWaalsContact C-N 3.28Å; R514-K516 PolarHBondContact O-N 3.36Å; R514-E517 PolarHBondContact O-N 2.74Å; R514-I518 WeakPolarHBondContact O-CB 3.35Å; R514-I518 VanDerWaalsContact O-CG1 3.25Å; R514-I518 WeakPolarHBondContact O-CG1 3.33Å; R514-I518 PolarHBondContact O-N 2.98Å
515I69.8Low60.2Low85 Ų8589.5 Ų89.544%0.43647%0.47SS..Hα-helixtrans-61.6-38.7176.9-68.1167000110.8P511 R519P511-I515 VanDerWaalsContact O-CG1 3.31Å; P511-I515 WeakPolarHBondContact O-CG1 3.45Å; P511-I515 PolarHBondContact O-N 2.91Å; I515-R519 WeakPolarHBondContact O-CB 3.41Å; I515-R519 PolarHBondContact O-N 2.74Å
516K72.1Confident61.3Low127 Ų12789.2 Ų89.255%0.55246%0.459SS*.Hα-helixtrans-64.1-45.1175.8-76.5176.3-179.2-177.80112A512 I513 R514 R519 K520A512-K516 WeakPolarHBondContact O-CG 3.48Å; A512-K516 PolarHBondContact O-N 2.02Å; A512-K516 VanDerWaalsContact O-N 3.16Å; I513-K516 PolarHBondContact O-N 2.67Å; R514-K516 VanDerWaalsContact C-N 3.28Å; R514-K516 PolarHBondContact O-N 3.36Å; K516-R519 PolarHBondContact O-N 3.33Å; K516-K520 VanDerWaalsContact O-CG 3.27Å; K516-K520 WeakPolarHBondContact O-CG 3.41Å; K516-K520 PolarHBondContact O-N 3.48Å
517E65.6Low62.5Low99 Ų9988.9 Ų88.946%0.46345%0.451SS..Hα-helixtrans-69-41.5178.9-66.1-52.9126.400112.4I513 R514 R519 K520 A521I513-E517 PolarHBondContact O-N 2.85Å; R514-E517 PolarHBondContact O-N 2.74Å; E517-R519 PolarHBondContact O-N 3.14Å; E517-K520 WeakPolarHBondContact O-CB 3.07Å; E517-K520 PolarHBondContact O-N 2.94Å; E517-K520 IonicContact OE1-NZ 2.73Å; E517-K520 PolarHBondContact OE1-NZ 2.99Å; E517-K520 IonicContact OE2-NZ 3.98Å; E517-A521 PolarHBondContact O-N 3.42Å
518I63.9Low63.8Low63 Ų6384.3 Ų84.332%0.32343%0.433SS..Hα-helixtrans-61-45.3173-68.4166.8000110.3L276 R514 K520 A521 I522L276-I518 HydrophobicContact CD2-CB 4.39Å; L276-I518 HydrophobicContact CD2-CG1 3.81Å; L276-I518 HydrophobicContact CD2-CG2 4.35Å; L276-I518 HydrophobicContact CG-CG1 4.18Å; R514-I518 WeakPolarHBondContact O-CB 3.35Å; R514-I518 VanDerWaalsContact O-CG1 3.25Å; R514-I518 WeakPolarHBondContact O-CG1 3.33Å; R514-I518 PolarHBondContact O-N 2.98Å; I518-K520 VanDerWaalsContact C-N 3.31Å; I518-K520 PolarHBondContact O-N 3.42Å; I518-A521 PolarHBondContact O-N 2.98Å; I518-I522 HydrophobicContact CG2-CD1 3.5Å; I518-I522 HydrophobicContact CG2-CG1 4.12Å; I518-I522 WeakPolarHBondContact O-CB 2.99Å; I518-I522 VanDerWaalsContact O-CG1 3.27Å; I518-I522 WeakPolarHBondContact O-CG1 3.32Å; I518-I522 PolarHBondContact O-N 3.32Å
519R70.1Confident64.9Low134 Ų13480.7 Ų80.751%0.50641%0.413SS..Hα-helixtrans-63.6-36.4178.3-170.1-178.3-65.2143.8-2.8112I515 K516 E517 K523I515-R519 WeakPolarHBondContact O-CB 3.41Å; I515-R519 PolarHBondContact O-N 2.74Å; K516-R519 PolarHBondContact O-N 3.33Å; E517-R519 PolarHBondContact O-N 3.14Å; R519-K523 WeakPolarHBondContact O-CB 3.47Å; R519-K523 VanDerWaalsContact O-CG 3.23Å; R519-K523 WeakPolarHBondContact O-CG 3.27Å; R519-K523 PolarHBondContact O-N 2.73Å
520K73.6Confident65.4Low123 Ų12380.1 Ų80.154%0.53541%0.408SS..Hα-helixtrans-64.9-45.1173.1-73.6170.4-1751740111.5K516 E517 I518 K523 A524K516-K520 VanDerWaalsContact O-CG 3.27Å; K516-K520 WeakPolarHBondContact O-CG 3.41Å; K516-K520 PolarHBondContact O-N 3.48Å; E517-K520 WeakPolarHBondContact O-CB 3.07Å; E517-K520 PolarHBondContact O-N 2.94Å; E517-K520 IonicContact OE1-NZ 2.73Å; E517-K520 PolarHBondContact OE1-NZ 2.99Å; E517-K520 IonicContact OE2-NZ 3.98Å; I518-K520 VanDerWaalsContact C-N 3.31Å; I518-K520 PolarHBondContact O-N 3.42Å; K520-K523 PolarHBondContact O-N 2.85Å; K520-A524 WeakPolarHBondContact O-CB 3.45Å; K520-A524 PolarHBondContact O-N 2.96Å
521A64.8Low66.1Low34 Ų3478.3 Ų78.328%0.28140%0.395SS..Hα-helixtrans-64.3-46.9177.900000111.8E517 I518 K523 A524 I525E517-A521 PolarHBondContact O-N 3.42Å; I518-A521 PolarHBondContact O-N 2.98Å; A521-K523 VanDerWaalsContact C-N 3.34Å; A521-K523 PolarHBondContact O-N 3.46Å; A521-A524 PolarHBondContact O-N 3.35Å; A521-I525 WeakPolarHBondContact O-CB 2.79Å; A521-I525 WeakPolarHBondContact O-CD1 2.99Å; A521-I525 WeakPolarHBondContact O-CG1 3.39Å; A521-I525 PolarHBondContact O-N 2.71Å
522I65.6Low66.5Low67 Ų6774.8 Ų74.834%0.34437%0.371SS..Hα-helixtrans-59.1-45.7175.9-70.5172.9000110.5I518 A524 I525 I526I518-I522 HydrophobicContact CG2-CD1 3.5Å; I518-I522 HydrophobicContact CG2-CG1 4.12Å; I518-I522 WeakPolarHBondContact O-CB 2.99Å; I518-I522 VanDerWaalsContact O-CG1 3.27Å; I518-I522 WeakPolarHBondContact O-CG1 3.32Å; I518-I522 PolarHBondContact O-N 3.32Å; I522-A524 PolarHBondContact O-N 3.16Å; I522-I525 PolarHBondContact O-N 3.21Å; I522-I526 HydrophobicContact CG2-CD1 3.58Å; I522-I526 HydrophobicContact CG2-CG1 4.25Å; I522-I526 WeakPolarHBondContact O-CB 3.33Å; I522-I526 VanDerWaalsContact O-CG1 3.25Å; I522-I526 WeakPolarHBondContact O-CG1 3.48Å; I522-I526 PolarHBondContact O-N 2.96Å
523K71Confident66.6Low121 Ų12172.6 Ų72.653%0.52635%0.353SS..Hα-helixtrans-58.9-50175.6-78.6-179.2177.4-164.10111.4R519 K520 A521 I525 I526 F527R519-K523 WeakPolarHBondContact O-CB 3.47Å; R519-K523 VanDerWaalsContact O-CG 3.23Å; R519-K523 WeakPolarHBondContact O-CG 3.27Å; R519-K523 PolarHBondContact O-N 2.73Å; K520-K523 PolarHBondContact O-N 2.85Å; A521-K523 VanDerWaalsContact C-N 3.34Å; A521-K523 PolarHBondContact O-N 3.46Å; K523-I525 VanDerWaalsContact C-N 3.26Å; K523-I525 PolarHBondContact O-N 3.02Å; K523-I526 PolarHBondContact O-N 3.21Å; K523-F527 WeakPolarHBondContact O-CD2 3.43Å; K523-F527 PolarHBondContact O-N 2.86Å
524A67.3Low66.8Low59 Ų5972.6 Ų72.649%0.48835%0.351SS..Hα-helixtrans-58.5-4017900000112.1K520 A521 I522 F527 L528K520-A524 WeakPolarHBondContact O-CB 3.45Å; K520-A524 PolarHBondContact O-N 2.96Å; A521-A524 PolarHBondContact O-N 3.35Å; I522-A524 PolarHBondContact O-N 3.16Å; A524-F527 PolarHBondContact O-N 3.29Å; A524-L528 WeakPolarHBondContact O-CB 3.48Å; A524-L528 PolarHBondContact O-N 3.01Å
525I66.9Low67.3Low35 Ų3567.8 Ų67.818%0.17934%0.335CS..Hα-helixtrans-67.2-44176.9-72.3165000111.7L269 L272 A521 I522 K523 F527 L528 M529L269-I525 HydrophobicContact CD1-CB 4.45Å; L269-I525 HydrophobicContact CD1-CD1 3.9Å; L269-I525 HydrophobicContact CD1-CG1 4.39Å; L269-I525 HydrophobicContact CD1-CG2 3.35Å; L269-I525 HydrophobicContact CD2-CG2 3.99Å; L269-I525 HydrophobicContact CG-CG2 4.31Å; L272-I525 HydrophobicContact CD2-CD1 3.97Å; A521-I525 WeakPolarHBondContact O-CB 2.79Å; A521-I525 WeakPolarHBondContact O-CD1 2.99Å; A521-I525 WeakPolarHBondContact O-CG1 3.39Å; A521-I525 PolarHBondContact O-N 2.71Å; I522-I525 PolarHBondContact O-N 3.21Å; K523-I525 VanDerWaalsContact C-N 3.26Å; K523-I525 PolarHBondContact O-N 3.02Å; I525-F527 PolarHBondContact O-N 3.24Å; I525-L528 CarbonylContact O-C 3.6Å; I525-L528 WeakPolarHBondContact O-CB 3.33Å; I525-L528 PolarHBondContact O-N 3.21Å; I525-M529 WeakPolarHBondContact O-CB 3.4Å; I525-M529 PolarHBondContact O-N 3.3Å
526I65.6Low67.3Low101 Ų10164.2 Ų64.252%0.51832%0.317SS..Hα-helixtrans-61.8-36.3176.2-71.2169.1000110.2I522 K523 P530I522-I526 HydrophobicContact CG2-CD1 3.58Å; I522-I526 HydrophobicContact CG2-CG1 4.25Å; I522-I526 WeakPolarHBondContact O-CB 3.33Å; I522-I526 VanDerWaalsContact O-CG1 3.25Å; I522-I526 WeakPolarHBondContact O-CG1 3.48Å; I522-I526 PolarHBondContact O-N 2.96Å; K523-I526 PolarHBondContact O-N 3.21Å; I526-P530 WeakPolarHBondContact O-CD 3.44Å
527F65.8Low67.1Low127 Ų12760.6 Ų60.656%0.55730%0.303SS*.Hα-helixtrans-72.1-31.3172.8-78.6-68.8000113.1K523 A524 I525 M529 P530K523-F527 WeakPolarHBondContact O-CD2 3.43Å; K523-F527 PolarHBondContact O-N 2.86Å; A524-F527 PolarHBondContact O-N 3.29Å; I525-F527 PolarHBondContact O-N 3.24Å; F527-M529 VanDerWaalsContact C-N 3.33Å; F527-P530 WeakPolarHBondContact O-CD 3.07Å
528L68Low67.2Low42 Ų4259.2 Ų59.222%0.2230%0.298CS..Hα-helixtrans-74.6-25.2177.9-161.472.4000112.4A524 I525 L531 L532 I569 Y570A524-L528 WeakPolarHBondContact O-CB 3.48Å; A524-L528 PolarHBondContact O-N 3.01Å; I525-L528 CarbonylContact O-C 3.6Å; I525-L528 WeakPolarHBondContact O-CB 3.33Å; I525-L528 PolarHBondContact O-N 3.21Å; L528-L531 WeakPolarHBondContact O-CB 3.34Å; L528-L531 PolarHBondContact O-N 3.04Å; L528-L532 HydrophobicContact CD2-CD1 4.06Å; L528-L532 HydrophobicContact CG-CD1 3.85Å; L528-L532 PolarHBondContact O-N 3.18Å; L528-I569 HydrophobicContact CD1-CG2 4.29Å; L528-Y570 HydrophobicContact CD1-CE1 3.89Å; L528-Y570 WeakPolarHBondContact CD1-OH 3.09Å
529M66Low67.1Low63 Ų6357.1 Ų57.131%0.3129%0.287SS..Hα-helixtrans-65.5-49.1-176.2-173.3-179.2-164.400112.8F262 I525 F527 L531 L532 F534F262-M529 HydrophobicContact CE2-CE 4.42Å; I525-M529 WeakPolarHBondContact O-CB 3.4Å; I525-M529 PolarHBondContact O-N 3.3Å; F527-M529 VanDerWaalsContact C-N 3.33Å; M529-L531 PolarHBondContact O-N 3.04Å; M529-L532 PolarHBondContact O-N 3.12Å; M529-F534 HydrophobicContact CE-CB 4.39Å; M529-F534 HydrophobicContact CE-CD1 3.78Å; M529-F534 HydrophobicContact CE-CD2 3.32Å; M529-F534 HydrophobicContact CE-CE1 3.74Å; M529-F534 HydrophobicContact CE-CE2 3.29Å; M529-F534 HydrophobicContact CE-CG 3.55Å; M529-F534 HydrophobicContact CE-CZ 3.5Å; M529-F534 HydrophobicContact CG-CB 3.53Å; M529-F534 HydrophobicContact CG-CD1 3.66Å; M529-F534 HydrophobicContact CG-CD2 4.26Å; M529-F534 HydrophobicContact CG-CE1 4.41Å; M529-F534 HydrophobicContact CG-CG 3.55Å; M529-F534 WeakPolarHBondContact O-CB 3.4Å; M529-F534 PolarHBondContact O-N 3.45Å; M529-F534 HydrophobicContact SD-CD1 3.8Å; M529-F534 HydrophobicContact SD-CD2 4.37Å; M529-F534 HydrophobicContact SD-CE1 3.93Å; M529-F534 HydrophobicContact SD-CE2 4.5Å; M529-F534 HydrophobicContact SD-CG 4Å; M529-F534 HydrophobicContact SD-CZ 4.29Å
530P57.2Low66.8Low47 Ų4752.4 Ų52.431%0.30527%0.271SS..Hα-helixtrans-55-34.5171.3-26.632.3000113.5I526 F527 L532 S535I526-P530 WeakPolarHBondContact O-CD 3.44Å; F527-P530 WeakPolarHBondContact O-CD 3.07Å; P530-L532 VanDerWaalsContact C-N 3.32Å; P530-L532 PolarHBondContact O-N 3.03Å; P530-S535 PolarHBondContact O-OG 3Å
531L64.6Low66.4Low10 Ų1051.9 Ų51.95%0.05227%0.273CS..Hα-helixtrans-73.2-23.8-175.2-80.6165.3000114.6L528 M529 W565 V566 I569L528-L531 WeakPolarHBondContact O-CB 3.34Å; L528-L531 PolarHBondContact O-N 3.04Å; M529-L531 PolarHBondContact O-N 3.04Å; L531-W565 HydrophobicContact CD1-CB 3.97Å; L531-W565 HydrophobicContact CD2-CB 3.16Å; L531-W565 HydrophobicContact CD2-CG 4.23Å; L531-W565 HydrophobicContact CG-CB 3.94Å; L531-V566 HydrophobicContact CD2-CG2 3.77Å; L531-I569 HydrophobicContact CD1-CD1 3.23Å; L531-I569 HydrophobicContact CD1-CG1 4.05Å
532L68.8Low66.3Low9 Ų954.7 Ų54.75%0.04729%0.288CS..THydrogen-bonded Turntrans-101.123.9-177.2-65.9170000112.2N261 M265 L528 M529 P530N261-L532 PolarHBondContact ND2-O 3.47Å; M265-L532 HydrophobicContact CE-CD1 3.31Å; M265-L532 HydrophobicContact CG-CB 4.4Å; M265-L532 HydrophobicContact CG-CD1 4.29Å; M265-L532 HydrophobicContact SD-CD1 3.73Å; L528-L532 HydrophobicContact CD2-CD1 4.06Å; L528-L532 HydrophobicContact CG-CD1 3.85Å; L528-L532 PolarHBondContact O-N 3.18Å; M529-L532 PolarHBondContact O-N 3.12Å; P530-L532 VanDerWaalsContact C-N 3.32Å; P530-L532 PolarHBondContact O-N 3.03Å
533G67.6Low66.2Low3 Ų355.2 Ų55.23%0.03129%0.287CS..THydrogen-bonded Turntrans99.4-4.8173.500000115.2L258 S535 Q536 L537L258-G533 WeakPolarHBondContact CD1-O 3.29Å; G533-S535 PolarHBondContact O-N 2.87Å; G533-Q536 PolarHBondContact O-N 3.16Å; G533-Q536 PolarHBondContact O-OE1 3.29Å; G533-L537 PolarHBondContact O-N 2.88Å
534F69.5Low66Low61 Ų6152.4 Ų52.427%0.26828%0.282SS..Hα-helixtrans-64.7-42-176.2-179.2-112.4000112.8F262 M529 Q536 L537 I538F262-F534 AromaticContact CD2-CD2 3.85Å; F262-F534 HydrophobicContact CD2-CD2 3.85Å; F262-F534 HydrophobicContact CD2-CE2 4.35Å; F262-F534 AromaticContact CE2-CD2 3.6Å; F262-F534 HydrophobicContact CE2-CD2 3.6Å; F262-F534 AromaticContact CE2-CE2 3.66Å; F262-F534 HydrophobicContact CE2-CE2 3.66Å; M529-F534 HydrophobicContact CE-CB 4.39Å; M529-F534 HydrophobicContact CE-CD1 3.78Å; M529-F534 HydrophobicContact CE-CD2 3.32Å; M529-F534 HydrophobicContact CE-CE1 3.74Å; M529-F534 HydrophobicContact CE-CE2 3.29Å; M529-F534 HydrophobicContact CE-CG 3.55Å; M529-F534 HydrophobicContact CE-CZ 3.5Å; M529-F534 HydrophobicContact CG-CB 3.53Å; M529-F534 HydrophobicContact CG-CD1 3.66Å; M529-F534 HydrophobicContact CG-CD2 4.26Å; M529-F534 HydrophobicContact CG-CE1 4.41Å; M529-F534 HydrophobicContact CG-CG 3.55Å; M529-F534 WeakPolarHBondContact O-CB 3.4Å; M529-F534 PolarHBondContact O-N 3.45Å; M529-F534 HydrophobicContact SD-CD1 3.8Å; M529-F534 HydrophobicContact SD-CD2 4.37Å; M529-F534 HydrophobicContact SD-CE1 3.93Å; M529-F534 HydrophobicContact SD-CE2 4.5Å; M529-F534 HydrophobicContact SD-CG 4Å; M529-F534 HydrophobicContact SD-CZ 4.29Å; F534-Q536 PolarHBondContact O-N 3.05Å; F534-L537 PolarHBondContact O-N 2.78Å; F534-L537 VanDerWaalsContact O-N 3.13Å; F534-I538 HydrophobicContact CD1-CD1 4Å; F534-I538 HydrophobicContact CE1-CD1 3.52Å; F534-I538 HydrophobicContact CE1-CG1 4.41Å; F534-I538 HydrophobicContact CZ-CD1 3.89Å; F534-I538 HydrophobicContact CZ-CG1 4.4Å; F534-I538 PolarHBondContact O-N 2.86Å
535S70.1Confident65.7Low13 Ų1359.6 Ų59.69%0.09130%0.302CS..Hα-helixtrans-59-39.9177.139.30000111.3P530 G533 L537 I538 F539P530-S535 PolarHBondContact O-OG 3Å; G533-S535 PolarHBondContact O-N 2.87Å; S535-L537 PolarHBondContact O-N 2.85Å; S535-I538 PolarHBondContact O-N 3.42Å; S535-I538 VanDerWaalsContact O-N 3.16Å; S535-F539 WeakPolarHBondContact O-CD2 3.42Å; S535-F539 WeakPolarHBondContact O-CE2 3.43Å; S535-F539 PolarHBondContact O-N 3.05Å
536Q68.5Low65.7Low11 Ų1165.9 Ų65.95%0.05133%0.331CS..Hα-helixtrans-66.9-26.4-179.2-63.782.7-17.200112.1L258 G533 F534 L540L258-Q536 HydrophobicContact CD1-CB 4.28Å; L258-Q536 HydrophobicContact CD2-CB 3.92Å; G533-Q536 PolarHBondContact O-N 3.16Å; G533-Q536 PolarHBondContact O-OE1 3.29Å; F534-Q536 PolarHBondContact O-N 3.05Å; Q536-L540 WeakPolarHBondContact O-CD1 3.02Å
537L68.6Low66Low50 Ų5066.7 Ų66.726%0.26233%0.331SS..Hα-helixtrans-74.2-34175.6-161113000112L258 G533 F534 S535 F539 L540L258-L537 HydrophobicContact CD2-CB 4.12Å; L258-L537 HydrophobicContact CD2-CD1 4.15Å; L258-L537 HydrophobicContact CG-CD1 4.17Å; G533-L537 PolarHBondContact O-N 2.88Å; F534-L537 PolarHBondContact O-N 2.78Å; F534-L537 VanDerWaalsContact O-N 3.13Å; S535-L537 PolarHBondContact O-N 2.85Å; L537-F539 VanDerWaalsContact C-N 3.31Å; L537-F539 PolarHBondContact O-N 3.39Å; L537-L540 WeakPolarHBondContact O-CB 3.48Å; L537-L540 PolarHBondContact O-N 2.97Å
538I67.2Low66.3Low71 Ų7160.9 Ų60.936%0.36431%0.307SS..Hα-helixtrans-66.7-36.7178.7-66.7169.1000110.6F534 S535 L540 I541F534-I538 HydrophobicContact CD1-CD1 4Å; F534-I538 HydrophobicContact CE1-CD1 3.52Å; F534-I538 HydrophobicContact CE1-CG1 4.41Å; F534-I538 HydrophobicContact CZ-CD1 3.89Å; F534-I538 HydrophobicContact CZ-CG1 4.4Å; F534-I538 PolarHBondContact O-N 2.86Å; S535-I538 PolarHBondContact O-N 3.42Å; S535-I538 VanDerWaalsContact O-N 3.16Å; I538-L540 PolarHBondContact O-N 3.44Å; I538-I541 PolarHBondContact O-N 3.03Å
539F63.3Low66.5Low19 Ų1966.3 Ų66.38%0.08332%0.324CS..THydrogen-bonded Turntrans-77.11.6179.4-55.7-64.9000114.2S535 L537 F551 I554 N555S535-F539 WeakPolarHBondContact O-CD2 3.42Å; S535-F539 WeakPolarHBondContact O-CE2 3.43Å; S535-F539 PolarHBondContact O-N 3.05Å; L537-F539 VanDerWaalsContact C-N 3.31Å; L537-F539 PolarHBondContact O-N 3.39Å; F539-F551 HydrophobicContact CD1-CB 4.32Å; F539-F551 AromaticContact CD1-CD1 3.83Å; F539-F551 HydrophobicContact CD1-CD1 3.83Å; F539-F551 AromaticContact CE1-CD1 3.76Å; F539-F551 HydrophobicContact CE1-CD1 3.76Å; F539-I554 HydrophobicContact CE1-CB 4.19Å; F539-I554 HydrophobicContact CE1-CG2 4.09Å; F539-I554 HydrophobicContact CZ-CB 4.14Å; F539-I554 HydrophobicContact CZ-CG2 3.6Å; F539-N555 HydrophobicContact CB-CB 4.48Å; F539-N555 HydrophobicContact CD1-CB 3.98Å; F539-N555 HydrophobicContact CD2-CB 3.9Å; F539-N555 WeakPolarHBondContact CD2-OD1 3.29Å; F539-N555 HydrophobicContact CE1-CB 4.18Å; F539-N555 HydrophobicContact CE2-CB 4.14Å; F539-N555 HydrophobicContact CG-CB 3.87Å; F539-N555 HydrophobicContact CZ-CB 4.31Å
540L62.7Low67.2Low34 Ų3467.3 Ų67.318%0.17833%0.334CS..THydrogen-bonded Turntrans-89-13.5171.1-81.9152000113.3L255 L258 T392 Q536 L537 I538L255-L540 HydrophobicContact CD1-CD2 4.18Å; L255-L540 HydrophobicContact CD2-CD1 3.41Å; L255-L540 VanDerWaalsContact CD2-CD1 3.41Å; L255-L540 HydrophobicContact CD2-CD2 3.28Å; L255-L540 HydrophobicContact CD2-CG 3.95Å; L255-L540 HydrophobicContact CG-CD2 4.37Å; L258-L540 HydrophobicContact CD2-CD1 3.81Å; T392-L540 HydrophobicContact CG2-CD2 3.57Å; T392-L540 HydrophobicContact CG2-CG 3.81Å; Q536-L540 WeakPolarHBondContact O-CD1 3.02Å; L537-L540 WeakPolarHBondContact O-CB 3.48Å; L537-L540 PolarHBondContact O-N 2.97Å; I538-L540 PolarHBondContact O-N 3.44Å
541I65.6Low68.1Low112 Ų11267.9 Ų67.957%0.57433%0.332SS*.SBendtrans-79.8126178.1-58174.5000107.9I538 Y543I538-I541 PolarHBondContact O-N 3.03Å; I541-Y543 PolarHBondContact O-N 3.19Å; I541-Y543 VanDerWaalsContact O-N 3.1Å
542P62Low68.6Low93 Ų9369 Ų6960%0.60434%0.337SS*.PPolyproline II helixtrans-60.8117.9176.525.4-33.4000109.2A390A390-P542 HydrophobicContact CB-CB 3.91Å
543Y64.8Low69.2Low79 Ų7970.9 Ų70.931%0.3134%0.344SS..PPolyproline II helixtrans-89.7160.5175.151.3-116.6000110.1I541 G548 F551 D552I541-Y543 PolarHBondContact O-N 3.19Å; I541-Y543 VanDerWaalsContact O-N 3.1Å; Y543-G548 WeakPolarHBondContact OH-CA 3.47Å; Y543-G548 PolarHBondContact OH-O 3.23Å; Y543-F551 HydrophobicContact CD1-CB 3.55Å; Y543-F551 HydrophobicContact CD1-CD1 4.49Å; Y543-F551 AromaticContact CD1-CD2 3.42Å; Y543-F551 HydrophobicContact CD1-CD2 3.42Å; Y543-F551 VanDerWaalsContact CD1-CD2 3.42Å; Y543-F551 HydrophobicContact CD1-CE2 4.25Å; Y543-F551 AromaticContact CD1-CG 3.59Å; Y543-F551 HydrophobicContact CD1-CG 3.59Å; Y543-F551 HydrophobicContact CD2-CD2 4.42Å; Y543-F551 HydrophobicContact CE1-CB 3.44Å; Y543-F551 VanDerWaalsContact CE1-CB 3.44Å; Y543-F551 HydrophobicContact CE1-CD2 4.16Å; Y543-F551 HydrophobicContact CE1-CG 4.05Å; Y543-F551 HydrophobicContact CG-CB 4.42Å; Y543-F551 AromaticContact CG-CD2 3.54Å; Y543-F551 HydrophobicContact CG-CD2 3.54Å; Y543-F551 HydrophobicContact CG-CE2 4.12Å; Y543-F551 HydrophobicContact CG-CG 4.2Å; Y543-D552 VanDerWaalsContact OH-CG 3.3Å; Y543-D552 PolarHBondContact OH-OD1 3.32Å; Y543-D552 PolarHBondContact OH-OD2 2.7Å
544S66.1Low69.8Low62 Ų6274.4 Ų74.443%0.43436%0.361SS..PPolyproline II helixtrans-66148.716964.20000110.4E546 F547 G548S544-E546 PolarHBondContact O-N 3.36Å; S544-F547 PolarHBondContact O-N 3.33Å; S544-F547 VanDerWaalsContact OG-CD2 3.31Å; S544-F547 WeakPolarHBondContact OG-CD2 3.34Å; S544-G548 PolarHBondContact O-N 2.82Å
545K61.2Low70.4Confident210 Ų21072.2 Ų72.291%0.91335%0.353SS*.Hα-helixtrans-49.2-30.7-179.8-68.1-174.2178.4-176.20113.3G548K545-G548 PolarHBondContact O-N 2.87Å
546E67.2Low71Confident167 Ų16771.6 Ų71.678%0.7835%0.349SS*.Hα-helixtrans-64.2-40.7179-62.1-175.6175.400113.8S544S544-E546 PolarHBondContact O-N 3.36Å
547F71.5Confident71.8Confident118 Ų11874.7 Ų74.752%0.51837%0.365SS..Hα-helixtrans-89.3-9.3-179-67.7-71.3000113.2S544 R549 V550 F551S544-F547 PolarHBondContact O-N 3.33Å; S544-F547 VanDerWaalsContact OG-CD2 3.31Å; S544-F547 WeakPolarHBondContact OG-CD2 3.34Å; F547-R549 PolarHBondContact O-N 2.79Å; F547-V550 PolarHBondContact O-N 2.97Å; F547-V550 VanDerWaalsContact O-N 3.08Å; F547-F551 HydrophobicContact CB-CD2 3.57Å; F547-F551 HydrophobicContact CB-CE2 3.35Å; F547-F551 HydrophobicContact CG-CE2 4.19Å; F547-F551 WeakPolarHBondContact O-CD2 3.41Å; F547-F551 PolarHBondContact O-N 3.49Å
548G71.4Confident72.6Confident4 Ų475 Ų754%0.04137%0.366CS..Hα-helixtrans-60.5-43.4-166.700000115.9Y543 S544 K545 V550 F551 D552Y543-G548 WeakPolarHBondContact OH-CA 3.47Å; Y543-G548 PolarHBondContact OH-O 3.23Å; S544-G548 PolarHBondContact O-N 2.82Å; K545-G548 PolarHBondContact O-N 2.87Å; G548-V550 VanDerWaalsContact C-N 3.29Å; G548-V550 PolarHBondContact O-N 2.95Å; G548-F551 WeakPolarHBondContact O-CB 3.43Å; G548-F551 PolarHBondContact O-N 3.49Å; G548-F551 VanDerWaalsContact O-N 3.12Å; G548-D552 PolarHBondContact O-N 3.27Å
549R73.5Confident73.5Confident156 Ų15672.4 Ų72.459%0.58935%0.352SS*.Hα-helixtrans-58.6-42.6177-163.2-177-57.41774.4112.1D93 F547 D552 Y553D93-R549 WeakPolarHBondContact OD2-CD 3.37Å; D93-R549 IonicContact OD2-CZ 2.88Å; D93-R549 IonicContact OD2-NE 2.91Å; D93-R549 PolarHBondContact OD2-NE 2.94Å; D93-R549 IonicContact OD2-NH1 3.35Å; D93-R549 PolarHBondContact OD2-NH1 2.75Å; F547-R549 PolarHBondContact O-N 2.79Å; R549-D552 PolarHBondContact O-N 3.15Å; R549-Y553 HydrophobicContact CG-CD2 4.1Å; R549-Y553 HydrophobicContact CG-CE2 3.68Å; R549-Y553 WeakPolarHBondContact O-CD2 3.4Å; R549-Y553 PolarHBondContact O-N 3.45Å; R549-Y553 VanDerWaalsContact O-N 3.14Å
550V78.9Confident74.8Confident84 Ų8471.5 Ų71.551%0.50935%0.348SS..Hα-helixtrans-66.1-42.2178.4179.80000110.4F547 G548 D552 Y553 I554F547-V550 PolarHBondContact O-N 2.97Å; F547-V550 VanDerWaalsContact O-N 3.08Å; G548-V550 VanDerWaalsContact C-N 3.29Å; G548-V550 PolarHBondContact O-N 2.95Å; V550-D552 VanDerWaalsContact C-N 3.34Å; V550-D552 PolarHBondContact O-N 2.02Å; V550-Y553 PolarHBondContact O-N 3.3Å; V550-I554 HydrophobicContact CG1-CD1 3.78Å; V550-I554 HydrophobicContact CG1-CG1 4.4Å; V550-I554 VanDerWaalsContact O-CG1 3.24Å; V550-I554 WeakPolarHBondContact O-CG1 3.42Å; V550-I554 PolarHBondContact O-N 2.02Å
551F76.7Confident76.2Confident60 Ų6070.9 Ų70.926%0.26335%0.346SS..Hα-helixtrans-62-41176.4-78.7-69.3000112.2F539 Y543 F547 G548 I554 N555F539-F551 HydrophobicContact CD1-CB 4.32Å; F539-F551 AromaticContact CD1-CD1 3.83Å; F539-F551 HydrophobicContact CD1-CD1 3.83Å; F539-F551 AromaticContact CE1-CD1 3.76Å; F539-F551 HydrophobicContact CE1-CD1 3.76Å; Y543-F551 HydrophobicContact CD1-CB 3.55Å; Y543-F551 HydrophobicContact CD1-CD1 4.49Å; Y543-F551 AromaticContact CD1-CD2 3.42Å; Y543-F551 HydrophobicContact CD1-CD2 3.42Å; Y543-F551 VanDerWaalsContact CD1-CD2 3.42Å; Y543-F551 HydrophobicContact CD1-CE2 4.25Å; Y543-F551 AromaticContact CD1-CG 3.59Å; Y543-F551 HydrophobicContact CD1-CG 3.59Å; Y543-F551 HydrophobicContact CD2-CD2 4.42Å; Y543-F551 HydrophobicContact CE1-CB 3.44Å; Y543-F551 VanDerWaalsContact CE1-CB 3.44Å; Y543-F551 HydrophobicContact CE1-CD2 4.16Å; Y543-F551 HydrophobicContact CE1-CG 4.05Å; Y543-F551 HydrophobicContact CG-CB 4.42Å; Y543-F551 AromaticContact CG-CD2 3.54Å; Y543-F551 HydrophobicContact CG-CD2 3.54Å; Y543-F551 HydrophobicContact CG-CE2 4.12Å; Y543-F551 HydrophobicContact CG-CG 4.2Å; F547-F551 HydrophobicContact CB-CD2 3.57Å; F547-F551 HydrophobicContact CB-CE2 3.35Å; F547-F551 HydrophobicContact CG-CE2 4.19Å; F547-F551 WeakPolarHBondContact O-CD2 3.41Å; F547-F551 PolarHBondContact O-N 3.49Å; G548-F551 WeakPolarHBondContact O-CB 3.43Å; G548-F551 PolarHBondContact O-N 3.49Å; G548-F551 VanDerWaalsContact O-N 3.12Å; F551-I554 PolarHBondContact O-N 3.43Å; F551-N555 VanDerWaalsContact O-CB 3.25Å; F551-N555 WeakPolarHBondContact O-CB 3.36Å; F551-N555 PolarHBondContact O-N 2.92Å
552D74.7Confident77.4Confident33 Ų3365.7 Ų65.718%0.17632%0.319CS..Hα-helixtrans-64.7-43.6179.4-63.7-13.6000111.6I97 P393 Y543 G548 R549 V550 N555 A556I97-D552 HydrophobicContact CD1-CB 4.36Å; P393-D552 WeakPolarHBondContact CG-OD1 3.44Å; Y543-D552 VanDerWaalsContact OH-CG 3.3Å; Y543-D552 PolarHBondContact OH-OD1 3.32Å; Y543-D552 PolarHBondContact OH-OD2 2.7Å; G548-D552 PolarHBondContact O-N 3.27Å; R549-D552 PolarHBondContact O-N 3.15Å; V550-D552 VanDerWaalsContact C-N 3.34Å; V550-D552 PolarHBondContact O-N 2.02Å; D552-N555 PolarHBondContact O-N 3.22Å; D552-A556 VanDerWaalsContact O-CB 3.31Å; D552-A556 WeakPolarHBondContact O-CB 3.26Å; D552-A556 PolarHBondContact O-N 3.28Å
553Y82Confident78.9Confident49 Ų4961.3 Ų61.319%0.19229%0.291CS..Hα-helixtrans-61.6-46.8174.1-78.4-60.2000112.5D93 F96 I97 R549 V550 N555 A556 I557D93-Y553 WeakPolarHBondContact CA-OH 3.35Å; D93-Y553 PolarHBondContact OD1-OH 3.26Å; F96-Y553 HydrophobicContact CB-CE1 3.8Å; I97-Y553 HydrophobicContact CD1-CE1 4.45Å; I97-Y553 HydrophobicContact CG1-CD1 3.76Å; I97-Y553 HydrophobicContact CG1-CE1 3.51Å; R549-Y553 HydrophobicContact CG-CD2 4.1Å; R549-Y553 HydrophobicContact CG-CE2 3.68Å; R549-Y553 WeakPolarHBondContact O-CD2 3.4Å; R549-Y553 PolarHBondContact O-N 3.45Å; R549-Y553 VanDerWaalsContact O-N 3.14Å; V550-Y553 PolarHBondContact O-N 3.3Å; Y553-N555 VanDerWaalsContact C-N 3.34Å; Y553-N555 PolarHBondContact O-N 3.35Å; Y553-A556 PolarHBondContact O-N 2.97Å; Y553-I557 VanDerWaalsContact O-CG1 3.3Å; Y553-I557 WeakPolarHBondContact O-CG1 3.36Å; Y553-I557 PolarHBondContact O-N 3.49Å
554I81.2Confident80.2Confident76 Ų7660.5 Ų60.539%0.3929%0.289SS..Hα-helixtrans-64.2-43.3179.4-63.2168.7000109.9F539 V550 F551 I557 M558F539-I554 HydrophobicContact CE1-CB 4.19Å; F539-I554 HydrophobicContact CE1-CG2 4.09Å; F539-I554 HydrophobicContact CZ-CB 4.14Å; F539-I554 HydrophobicContact CZ-CG2 3.6Å; V550-I554 HydrophobicContact CG1-CD1 3.78Å; V550-I554 HydrophobicContact CG1-CG1 4.4Å; V550-I554 VanDerWaalsContact O-CG1 3.24Å; V550-I554 WeakPolarHBondContact O-CG1 3.42Å; V550-I554 PolarHBondContact O-N 2.02Å; F551-I554 PolarHBondContact O-N 3.43Å; I554-I557 PolarHBondContact O-N 2.91Å; I554-M558 HydrophobicContact CG2-CG 4.11Å; I554-M558 WeakPolarHBondContact O-CB 3.01Å; I554-M558 VanDerWaalsContact O-CG 3.25Å; I554-M558 WeakPolarHBondContact O-CG 3.08Å; I554-M558 PolarHBondContact O-N 3.04Å
555N81.4Confident81.4Confident15 Ų1562.1 Ų62.18%0.0829%0.286CS..Hα-helixtrans-61.2-45.6177.3-17645.4000111.2F539 F551 D552 Y553 I557 M558 L559F539-N555 HydrophobicContact CB-CB 4.48Å; F539-N555 HydrophobicContact CD1-CB 3.98Å; F539-N555 HydrophobicContact CD2-CB 3.9Å; F539-N555 WeakPolarHBondContact CD2-OD1 3.29Å; F539-N555 HydrophobicContact CE1-CB 4.18Å; F539-N555 HydrophobicContact CE2-CB 4.14Å; F539-N555 HydrophobicContact CG-CB 3.87Å; F539-N555 HydrophobicContact CZ-CB 4.31Å; F551-N555 VanDerWaalsContact O-CB 3.25Å; F551-N555 WeakPolarHBondContact O-CB 3.36Å; F551-N555 PolarHBondContact O-N 2.92Å; D552-N555 PolarHBondContact O-N 3.22Å; Y553-N555 VanDerWaalsContact C-N 3.34Å; Y553-N555 PolarHBondContact O-N 3.35Å; N555-I557 VanDerWaalsContact C-N 3.35Å; N555-I557 PolarHBondContact O-N 3.49Å; N555-M558 PolarHBondContact O-N 3.47Å; N555-L559 WeakPolarHBondContact O-CB 3.26Å; N555-L559 PolarHBondContact O-N 3.44Å
556A82.8Confident82.9Confident1 Ų152.2 Ų52.21%0.00824%0.243CC..Hα-helixtrans-57.9-45.7176.300000111.9I97 C100 F101 D552 Y553 S560I97-A556 HydrophobicContact CG2-CB 3.81Å; C100-A556 HydrophobicContact CB-CB 4.41Å; F101-A556 HydrophobicContact CD2-CB 4.03Å; F101-A556 HydrophobicContact CE1-CB 4.42Å; F101-A556 HydrophobicContact CE2-CB 3.54Å; F101-A556 HydrophobicContact CZ-CB 3.77Å; D552-A556 VanDerWaalsContact O-CB 3.31Å; D552-A556 WeakPolarHBondContact O-CB 3.26Å; D552-A556 PolarHBondContact O-N 3.28Å; Y553-A556 PolarHBondContact O-N 2.97Å; A556-S560 WeakPolarHBondContact O-CB 3.23Å; A556-S560 PolarHBondContact O-N 3.06Å; A556-S560 PolarHBondContact O-OG 3.33Å
557I86.1Confident84.1Confident76 Ų7644.3 Ų44.339%0.3921%0.206SC..Hα-helixtrans-65.2-47177.4-67166.7000111C100 Y553 I554 N555 S560 T561C100-I557 HydrophobicContact CB-CG1 4.47Å; Y553-I557 VanDerWaalsContact O-CG1 3.3Å; Y553-I557 WeakPolarHBondContact O-CG1 3.36Å; Y553-I557 PolarHBondContact O-N 3.49Å; I554-I557 PolarHBondContact O-N 2.91Å; N555-I557 VanDerWaalsContact C-N 3.35Å; N555-I557 PolarHBondContact O-N 3.49Å; I557-S560 PolarHBondContact O-OG 3.44Å; I557-T561 HydrophobicContact CG2-CG2 4.46Å; I557-T561 WeakPolarHBondContact O-CB 3.39Å; I557-T561 WeakPolarHBondContact O-CG2 3.29Å; I557-T561 PolarHBondContact O-N 3.04Å; I557-T561 PolarHBondContact O-OG1 3.12Å
558M84.1Confident85.1Confident57 Ų5740.6 Ų40.628%0.28119%0.191SC..Hα-helixtrans-64.5-42.9-178.8-71.9-65.99900112.2I554 N555 Q562I554-M558 HydrophobicContact CG2-CG 4.11Å; I554-M558 WeakPolarHBondContact O-CB 3.01Å; I554-M558 VanDerWaalsContact O-CG 3.25Å; I554-M558 WeakPolarHBondContact O-CG 3.08Å; I554-M558 PolarHBondContact O-N 3.04Å; N555-M558 PolarHBondContact O-N 3.47Å; M558-Q562 PolarHBondContact O-N 3.25Å
559L86.2Confident85.9Confident15 Ų1542.6 Ų42.68%0.07920%0.2CC..Hα-helixtrans-71.2-42.6-178.2-17262000112.1F101 R143 N555 Q562F101-L559 HydrophobicContact CE1-CB 4.27Å; F101-L559 HydrophobicContact CE1-CD2 4.04Å; F101-L559 HydrophobicContact CE1-CG 4.37Å; F101-L559 HydrophobicContact CZ-CD2 4.41Å; R143-L559 PolarHBondContact NH2-O 3.37Å; R143-L559 VanDerWaalsContact NH2-O 3.09Å; N555-L559 WeakPolarHBondContact O-CB 3.26Å; N555-L559 PolarHBondContact O-N 3.44Å; L559-Q562 WeakPolarHBondContact O-CB 3.44Å
560S91.3Very high86.7Confident1 Ų136.3 Ų36.31%0.00718%0.177CC..Hα-helixtrans-70.8-39.218062.80000112.7C100 G104 S108 A556 I557C100-S560 PolarHBondContact O-OG 2.88Å; G104-S560 CarbonylContact C-O 3.51Å; S108-S560 WeakPolarHBondContact CB-O 3.45Å; A556-S560 WeakPolarHBondContact O-CB 3.23Å; A556-S560 PolarHBondContact O-N 3.06Å; A556-S560 PolarHBondContact O-OG 3.33Å; I557-S560 PolarHBondContact O-OG 3.44Å
561T91.3Very high87.3Confident21 Ų2132.3 Ų32.313%0.12915%0.152CC..SBendtrans-87.11.3-179.965.40000114.4I557 G563 F564 W565I557-T561 HydrophobicContact CG2-CG2 4.46Å; I557-T561 WeakPolarHBondContact O-CB 3.39Å; I557-T561 WeakPolarHBondContact O-CG2 3.29Å; I557-T561 PolarHBondContact O-N 3.04Å; I557-T561 PolarHBondContact O-OG1 3.12Å; T561-G563 VanDerWaalsContact C-N 3.29Å; T561-G563 PolarHBondContact O-N 2.91Å; T561-F564 WeakPolarHBondContact O-CB 3.38Å; T561-F564 PolarHBondContact O-N 3.4Å; T561-W565 VanDerWaalsContact O-CD1 3.27Å; T561-W565 PolarHBondContact O-N 3.45Å; T561-W565 PolarHBondContact OG1-NE1 3.33Å
562Q90.6Very high88Confident3 Ų333 Ų331%0.01416%0.156CC..Hα-helixtrans-50.8-45.5-177.7-174.9-175-18.500112.9M183 M558 L559 F564 W565 V566M183-Q562 PolarHBondContact SD-NE2 3.05Å; M558-Q562 PolarHBondContact O-N 3.25Å; L559-Q562 WeakPolarHBondContact O-CB 3.44Å; Q562-F564 VanDerWaalsContact C-N 3.35Å; Q562-F564 PolarHBondContact O-N 2.95Å; Q562-W565 PolarHBondContact O-N 3.05Å; Q562-V566 VanDerWaalsContact O-CG2 3.27Å; Q562-V566 WeakPolarHBondContact O-CG2 3.42Å; Q562-V566 PolarHBondContact O-N 3.33Å
563G93.1Very high88.7Confident0 Ų036.4 Ų36.40%017%0.173CC..Hα-helixtrans-68.5-31.4-179.700000114S108 V112 T561 V566 A567S108-G563 WeakPolarHBondContact OG-CA 3.26Å; S108-G563 PolarHBondContact OG-N 3.35Å; V112-G563 WeakPolarHBondContact CG1-O 3.46Å; T561-G563 VanDerWaalsContact C-N 3.29Å; T561-G563 PolarHBondContact O-N 2.91Å; G563-V566 PolarHBondContact O-N 3.17Å; G563-A567 WeakPolarHBondContact O-CB 3.28Å; G563-A567 PolarHBondContact O-N 3.04Å
564F93.9Very high89.1Confident63 Ų6335.9 Ų35.928%0.27617%0.174SC..Hα-helixtrans-59.5-51.3172166.3-99.9000111.4I107 S111 T561 Q562 V566 A567 L568I107-F564 HydrophobicContact CG2-CB 4.09Å; I107-F564 HydrophobicContact CG2-CD2 3.8Å; I107-F564 HydrophobicContact CG2-CG 4.05Å; S111-F564 WeakPolarHBondContact OG-CA 3.23Å; T561-F564 WeakPolarHBondContact O-CB 3.38Å; T561-F564 PolarHBondContact O-N 3.4Å; Q562-F564 VanDerWaalsContact C-N 3.35Å; Q562-F564 PolarHBondContact O-N 2.95Å; F564-V566 PolarHBondContact O-N 3.46Å; F564-A567 PolarHBondContact O-N 3.09Å; F564-L568 HydrophobicContact CE1-CD2 4.06Å; F564-L568 HydrophobicContact CZ-CD2 3.96Å; F564-L568 WeakPolarHBondContact O-CB 3.18Å; F564-L568 PolarHBondContact O-N 3.38Å
565W91Very high89.4Confident96 Ų9635.7 Ų35.736%0.36418%0.179SC..Hα-helixtrans-64.7-39.4179.4-68.9115.8000112.3L531 T561 Q562 L568 I569L531-W565 HydrophobicContact CD1-CB 3.97Å; L531-W565 HydrophobicContact CD2-CB 3.16Å; L531-W565 HydrophobicContact CD2-CG 4.23Å; L531-W565 HydrophobicContact CG-CB 3.94Å; T561-W565 VanDerWaalsContact O-CD1 3.27Å; T561-W565 PolarHBondContact O-N 3.45Å; T561-W565 PolarHBondContact OG1-NE1 3.33Å; Q562-W565 PolarHBondContact O-N 3.05Å; W565-L568 HydrophobicContact CE3-CD2 3.89Å; W565-L568 HydrophobicContact CZ3-CD2 3.86Å; W565-L568 PolarHBondContact O-N 3.04Å; W565-I569 WeakPolarHBondContact O-CG1 3.16Å; W565-I569 PolarHBondContact O-N 3.19Å
566V91.7Very high89.9Confident2 Ų238.9 Ų38.91%0.01219%0.193CC..Hα-helixtrans-62.1-48.6175.7169.70000111L136 M137 I140 L531 Q562 G563 F564 Y570L136-V566 HydrophobicContact CD2-CG1 4.13Å; M137-V566 HydrophobicContact CE-CG1 4.14Å; M137-V566 HydrophobicContact CG-CG1 4.21Å; I140-V566 HydrophobicContact CD1-CB 4.35Å; I140-V566 HydrophobicContact CD1-CG1 4.36Å; I140-V566 HydrophobicContact CD1-CG2 4.07Å; L531-V566 HydrophobicContact CD2-CG2 3.77Å; Q562-V566 VanDerWaalsContact O-CG2 3.27Å; Q562-V566 WeakPolarHBondContact O-CG2 3.42Å; Q562-V566 PolarHBondContact O-N 3.33Å; G563-V566 PolarHBondContact O-N 3.17Å; F564-V566 PolarHBondContact O-N 3.46Å; V566-Y570 HydrophobicContact CG1-CD2 3.71Å; V566-Y570 HydrophobicContact CG1-CE2 4.06Å; V566-Y570 WeakPolarHBondContact O-CB 3.27Å; V566-Y570 WeakPolarHBondContact O-CD2 3.47Å; V566-Y570 PolarHBondContact O-N 3.35Å
567A93.8Very high90.3Very high0 Ų038.9 Ų38.90%019%0.193CC..Hα-helixtrans-65-40.5177.200000112.2S111 V112 M137 G563 F564 C571 F572S111-A567 WeakPolarHBondContact O-CB 3.46Å; V112-A567 HydrophobicContact CG1-CB 4.49Å; M137-A567 HydrophobicContact CE-CB 4.46Å; G563-A567 WeakPolarHBondContact O-CB 3.28Å; G563-A567 PolarHBondContact O-N 3.04Å; F564-A567 PolarHBondContact O-N 3.09Å; A567-C571 WeakPolarHBondContact O-CA 3.03Å; A567-C571 WeakPolarHBondContact O-CB 3.23Å; A567-C571 PolarHBondContact O-N 3.49Å; A567-F572 HydrophobicContact CB-CD2 4.48Å; A567-F572 HydrophobicContact CB-CE2 4.17Å; A567-F572 PolarHBondContact O-N 3.48Å; A567-F572 VanDerWaalsContact O-N 3.07Å
568L91.7Very high90.6Very high40 Ų4038.1 Ų38.121%0.20919%0.188CC..Iπ-helixtrans-59.7-52.7177.4-176.365.3000111.4F564 W565 F572 L573F564-L568 HydrophobicContact CE1-CD2 4.06Å; F564-L568 HydrophobicContact CZ-CD2 3.96Å; F564-L568 WeakPolarHBondContact O-CB 3.18Å; F564-L568 PolarHBondContact O-N 3.38Å; W565-L568 HydrophobicContact CE3-CD2 3.89Å; W565-L568 HydrophobicContact CZ3-CD2 3.86Å; W565-L568 PolarHBondContact O-N 3.04Å; L568-F572 HydrophobicContact CD1-CB 4.27Å; L568-F572 PolarHBondContact O-N 3.37Å; L568-L573 HydrophobicContact CD1-CD1 4.14Å; L568-L573 HydrophobicContact CD1-CD2 4.32Å; L568-L573 HydrophobicContact CD1-CG 3.89Å; L568-L573 HydrophobicContact CD2-CD1 4.35Å; L568-L573 HydrophobicContact CG-CD1 3.81Å; L568-L573 HydrophobicContact CG-CG 4.01Å; L568-L573 VanDerWaalsContact O-CB 3.29Å; L568-L573 WeakPolarHBondContact O-CB 3.41Å; L568-L573 WeakPolarHBondContact O-CG 3.46Å; L568-L573 PolarHBondContact O-N 2.88Å
569I88.6Confident91Very high46 Ų4642.2 Ų42.224%0.23620%0.201CC..Iπ-helixtrans-73.1-48.6-175.8-63.6-168.1000111.8L528 L531 W565L528-I569 HydrophobicContact CD1-CG2 4.29Å; L531-I569 HydrophobicContact CD1-CD1 3.23Å; L531-I569 HydrophobicContact CD1-CG1 4.05Å; W565-I569 WeakPolarHBondContact O-CG1 3.16Å; W565-I569 PolarHBondContact O-N 3.19Å
570Y89.2Confident91.3Very high24 Ų2443 Ų439%0.09421%0.206CC..Iπ-helixtrans-82.2-28.4-171.8-60.8-37.1000114F119 H133 E186 L528 V566 N574F119-Y570 WeakPolarHBondContact CZ-O 3.5Å; H133-Y570 AromaticContact CE1-CD1 3.91Å; H133-Y570 AromaticContact CE1-CD2 3.84Å; H133-Y570 AromaticContact CE1-CE1 3.92Å; H133-Y570 AromaticContact CE1-CE2 3.82Å; H133-Y570 AromaticContact CE1-CG 3.89Å; H133-Y570 AromaticContact CE1-CZ 3.87Å; H133-Y570 AromaticContact ND1-CD2 3.54Å; H133-Y570 AromaticContact ND1-CE2 3.66Å; H133-Y570 AromaticContact ND1-CG 3.94Å; E186-Y570 WeakPolarHBondContact OE1-CE2 3.29Å; E186-Y570 PolarHBondContact OE1-OH 3.32Å; L528-Y570 HydrophobicContact CD1-CE1 3.89Å; L528-Y570 WeakPolarHBondContact CD1-OH 3.09Å; V566-Y570 HydrophobicContact CG1-CD2 3.71Å; V566-Y570 HydrophobicContact CG1-CE2 4.06Å; V566-Y570 WeakPolarHBondContact O-CB 3.27Å; V566-Y570 WeakPolarHBondContact O-CD2 3.47Å; V566-Y570 PolarHBondContact O-N 3.35Å; Y570-N574 VanDerWaalsContact O-CB 3.23Å; Y570-N574 WeakPolarHBondContact O-CB 3.5Å; Y570-N574 PolarHBondContact O-ND2 3.28Å; Y570-N574 VanDerWaalsContact O-ND2 3.12Å
571C92.3Very high91.3Very high0 Ų046 Ų460%022%0.221CC..Iπ-helixtrans-106.8-67.1-179.1-164.20000112.2F119 M137 A567 N574 V577F119-C571 HydrophobicContact CE1-CB 4.3Å; F119-C571 HydrophobicContact CE2-CB 4.29Å; F119-C571 HydrophobicContact CZ-CB 3.81Å; M137-C571 HydrophobicContact CE-CB 4.48Å; A567-C571 WeakPolarHBondContact O-CA 3.03Å; A567-C571 WeakPolarHBondContact O-CB 3.23Å; A567-C571 PolarHBondContact O-N 3.49Å; C571-N574 WeakPolarHBondContact O-CB 3.01Å; C571-N574 PolarHBondContact O-N 3.32Å; C571-V577 WeakPolarHBondContact O-CB 3.26Å
572F91.9Very high91.3Very high75 Ų7551.2 Ų51.233%0.32924%0.239SC..Iπ-helixtrans-72.1-38.7-166.5-63.1-56.5000114.5S114 I118 A567 L568 N574 Q578S114-F572 WeakPolarHBondContact OG-CZ 3.45Å; I118-F572 HydrophobicContact CD1-CD1 4.41Å; I118-F572 HydrophobicContact CD1-CE1 3.82Å; A567-F572 HydrophobicContact CB-CD2 4.48Å; A567-F572 HydrophobicContact CB-CE2 4.17Å; A567-F572 PolarHBondContact O-N 3.48Å; A567-F572 VanDerWaalsContact O-N 3.07Å; L568-F572 HydrophobicContact CD1-CB 4.27Å; L568-F572 PolarHBondContact O-N 3.37Å; F572-N574 VanDerWaalsContact C-N 3.3Å; F572-Q578 WeakPolarHBondContact O-CG 3.3Å; F572-Q578 PolarHBondContact O-NE2 3.37Å
573L88.9Confident91.3Very high105 Ų10553.7 Ų53.755%0.5525%0.254SS..THydrogen-bonded Turntrans-86.2-3.3176.9-62.8-177.3000112.8L568 S575L568-L573 HydrophobicContact CD1-CD1 4.14Å; L568-L573 HydrophobicContact CD1-CD2 4.32Å; L568-L573 HydrophobicContact CD1-CG 3.89Å; L568-L573 HydrophobicContact CD2-CD1 4.35Å; L568-L573 HydrophobicContact CG-CD1 3.81Å; L568-L573 HydrophobicContact CG-CG 4.01Å; L568-L573 VanDerWaalsContact O-CB 3.29Å; L568-L573 WeakPolarHBondContact O-CB 3.41Å; L568-L573 WeakPolarHBondContact O-CG 3.46Å; L568-L573 PolarHBondContact O-N 2.88Å; L573-S575 PolarHBondContact O-N 3.31Å
574N89.8Confident91.2Very high38 Ų3858.8 Ų58.820%0.20327%0.273CS..  trans-73.7115.8-178.9-172.1-33.3000111Y570 C571 F572 E576 V577 Q578Y570-N574 VanDerWaalsContact O-CB 3.23Å; Y570-N574 WeakPolarHBondContact O-CB 3.5Å; Y570-N574 PolarHBondContact O-ND2 3.28Å; Y570-N574 VanDerWaalsContact O-ND2 3.12Å; C571-N574 WeakPolarHBondContact O-CB 3.01Å; C571-N574 PolarHBondContact O-N 3.32Å; F572-N574 VanDerWaalsContact C-N 3.3Å; N574-E576 PolarHBondContact O-N 3.34Å; N574-E576 VanDerWaalsContact O-N 3.14Å; N574-E576 WeakPolarHBondContact OD1-CB 3.35Å; N574-E576 PolarHBondContact OD1-N 3.41Å; N574-V577 HydrophobicContact CB-CB 4.13Å; N574-V577 HydrophobicContact CB-CG2 3.77Å; N574-V577 PolarHBondContact O-N 2.85Å; N574-V577 VanDerWaalsContact O-N 3.1Å; N574-Q578 WeakPolarHBondContact O-CG 3.46Å; N574-Q578 PolarHBondContact O-N 3.07Å
575S88.4Confident91Very high72 Ų7264.4 Ų64.450%0.50329%0.293SS..Hα-helixtrans-58.2-29.3-176.970.20000114L573 R579L573-S575 PolarHBondContact O-N 3.31Å; S575-R579 VanDerWaalsContact O-CB 3.29Å; S575-R579 WeakPolarHBondContact O-CB 3.25Å; S575-R579 PolarHBondContact O-N 2.88Å
576E90.6Very high91Very high81 Ų8167.7 Ų67.738%0.37931%0.305SS..Hα-helixtrans-70.9-47.7176.4-171.8177.3175.800110.9L125 N574 R579 V580L125-E576 HydrophobicContact CD2-CG 4.23Å; N574-E576 PolarHBondContact O-N 3.34Å; N574-E576 VanDerWaalsContact O-N 3.14Å; N574-E576 WeakPolarHBondContact OD1-CB 3.35Å; N574-E576 PolarHBondContact OD1-N 3.41Å; E576-R579 WeakPolarHBondContact O-CB 3.4Å; E576-R579 PolarHBondContact O-N 3.26Å; E576-R579 VanDerWaalsContact O-N 3.14Å; E576-V580 WeakPolarHBondContact O-CG2 3.28Å; E576-V580 PolarHBondContact O-N 2.89Å
577V92.3Very high90.9Very high1 Ų171.5 Ų71.51%0.00633%0.325CS..Hα-helixtrans-60.4-48.9176.1-178.90000110.1I118 F119 L125 C571 N574 R579 V580 L581I118-V577 HydrophobicContact CG2-CG1 3.66Å; F119-V577 HydrophobicContact CE1-CG2 3.84Å; L125-V577 HydrophobicContact CD1-CB 4.47Å; L125-V577 HydrophobicContact CD1-CG1 4.21Å; L125-V577 HydrophobicContact CD1-CG2 4.11Å; L125-V577 HydrophobicContact CD2-CG2 4.22Å; C571-V577 WeakPolarHBondContact O-CB 3.26Å; N574-V577 HydrophobicContact CB-CB 4.13Å; N574-V577 HydrophobicContact CB-CG2 3.77Å; N574-V577 PolarHBondContact O-N 2.85Å; N574-V577 VanDerWaalsContact O-N 3.1Å; V577-R579 VanDerWaalsContact C-N 3.26Å; V577-R579 PolarHBondContact O-N 3.5Å; V577-V580 PolarHBondContact O-N 3.21Å; V577-V580 VanDerWaalsContact O-N 3.14Å; V577-L581 HydrophobicContact CG1-CD1 3.86Å; V577-L581 HydrophobicContact CG1-CG 4.25Å; V577-L581 WeakPolarHBondContact O-CB 3.28Å; V577-L581 WeakPolarHBondContact O-CG 3.16Å; V577-L581 PolarHBondContact O-N 2.95Å
578Q92.5Very high90.7Very high61 Ų6175.5 Ų75.529%0.28535%0.345SS..Hα-helixtrans-59.3-36.3176.2-67.5-176.54.900112.4F572 N574 R582F572-Q578 WeakPolarHBondContact O-CG 3.3Å; F572-Q578 PolarHBondContact O-NE2 3.37Å; N574-Q578 WeakPolarHBondContact O-CG 3.46Å; N574-Q578 PolarHBondContact O-N 3.07Å; Q578-R582 WeakPolarHBondContact O-CB 3.46Å; Q578-R582 VanDerWaalsContact O-CG 3.23Å; Q578-R582 WeakPolarHBondContact O-CG 3.36Å; Q578-R582 PolarHBondContact O-N 3.16Å; Q578-R582 PolarHBondContact O-NE 3.35Å; Q578-R582 VanDerWaalsContact OE1-NH1 3.08Å
579R92.4Very high90.5Very high143 Ų14375.8 Ų75.854%0.5435%0.35SS..Hα-helixtrans-66.2-43.2176.5-172.2-173.7-59.7115.22.8111.3S575 E576 V577 T583S575-R579 VanDerWaalsContact O-CB 3.29Å; S575-R579 WeakPolarHBondContact O-CB 3.25Å; S575-R579 PolarHBondContact O-N 2.88Å; E576-R579 WeakPolarHBondContact O-CB 3.4Å; E576-R579 PolarHBondContact O-N 3.26Å; E576-R579 VanDerWaalsContact O-N 3.14Å; V577-R579 VanDerWaalsContact C-N 3.26Å; V577-R579 PolarHBondContact O-N 3.5Å; R579-T583 WeakPolarHBondContact O-CB 3.28Å; R579-T583 PolarHBondContact O-N 3.35Å; R579-T583 PolarHBondContact O-OG1 3.22Å
580V92.1Very high90.5Very high31 Ų3176.5 Ų76.519%0.18836%0.36CS..Hα-helixtrans-64.8-49176.7174.40000110.3F122 L125 E576 V577 T583 R584F122-V580 HydrophobicContact CB-CG1 4.31Å; F122-V580 HydrophobicContact CD1-CG1 3.62Å; F122-V580 HydrophobicContact CD2-CG1 4.44Å; F122-V580 HydrophobicContact CE1-CG1 4.02Å; F122-V580 HydrophobicContact CG-CG1 3.87Å; L125-V580 HydrophobicContact CD2-CG2 4.04Å; L125-V580 HydrophobicContact CG-CG2 4.49Å; E576-V580 WeakPolarHBondContact O-CG2 3.28Å; E576-V580 PolarHBondContact O-N 2.89Å; V577-V580 PolarHBondContact O-N 3.21Å; V577-V580 VanDerWaalsContact O-N 3.14Å; V580-T583 PolarHBondContact O-N 3.49Å; V580-T583 VanDerWaalsContact O-N 3.16Å; V580-R584 PolarHBondContact O-N 3.11Å
581L91.5Very high90.2Very high63 Ų6379.8 Ų79.833%0.3338%0.382SS..Hα-helixtrans-59.8-48.2177.2-71.8175.6000112I118 F122 V577 T583 R584 W585I118-L581 HydrophobicContact CD1-CD1 4.5Å; F122-L581 HydrophobicContact CE2-CD2 3.57Å; F122-L581 HydrophobicContact CZ-CD2 3.87Å; V577-L581 HydrophobicContact CG1-CD1 3.86Å; V577-L581 HydrophobicContact CG1-CG 4.25Å; V577-L581 WeakPolarHBondContact O-CB 3.28Å; V577-L581 WeakPolarHBondContact O-CG 3.16Å; V577-L581 PolarHBondContact O-N 2.95Å; L581-T583 VanDerWaalsContact C-N 3.26Å; L581-T583 PolarHBondContact O-N 3.27Å; L581-R584 PolarHBondContact O-N 3.34Å; L581-W585 VanDerWaalsContact O-CB 3.3Å; L581-W585 WeakPolarHBondContact O-CB 3.49Å; L581-W585 PolarHBondContact O-N 3Å
582R91.8Very high89.6Confident131 Ų13186.3 Ų86.349%0.49442%0.416SS..Hα-helixtrans-60.1-34.8175.8-78.4-173.2-72.4-106.8-1.3112.6Q578 R586Q578-R582 WeakPolarHBondContact O-CB 3.46Å; Q578-R582 VanDerWaalsContact O-CG 3.23Å; Q578-R582 WeakPolarHBondContact O-CG 3.36Å; Q578-R582 PolarHBondContact O-N 3.16Å; Q578-R582 PolarHBondContact O-NE 3.35Å; Q578-R582 VanDerWaalsContact OE1-NH1 3.08Å; R582-R586 WeakPolarHBondContact O-CB 3.29Å; R582-R586 VanDerWaalsContact O-CG 3.27Å; R582-R586 WeakPolarHBondContact O-CG 3.38Å; R582-R586 PolarHBondContact O-N 3.34Å; R582-R586 VanDerWaalsContact O-N 3.07Å; R582-R586 PolarHBondContact O-NE 3.36Å
583T90.8Very high88.7Confident55 Ų5591.4 Ų91.434%0.33744%0.439SS..Hα-helixtrans-71.9-43.6177.9-57.10000110.8R579 V580 L581 R586 I587R579-T583 WeakPolarHBondContact O-CB 3.28Å; R579-T583 PolarHBondContact O-N 3.35Å; R579-T583 PolarHBondContact O-OG1 3.22Å; V580-T583 PolarHBondContact O-N 3.49Å; V580-T583 VanDerWaalsContact O-N 3.16Å; L581-T583 VanDerWaalsContact C-N 3.26Å; L581-T583 PolarHBondContact O-N 3.27Å; T583-R586 PolarHBondContact O-N 3.2Å; T583-R586 PolarHBondContact OG1-NH2 3.28Å; T583-R586 VanDerWaalsContact OG1-NH2 3.12Å; T583-I587 HydrophobicContact CG2-CD1 4.28Å; T583-I587 WeakPolarHBondContact O-CG1 3.5Å; T583-I587 PolarHBondContact O-N 3.1Å; T583-I587 VanDerWaalsContact O-N 3.11Å
584R89.9Confident87.5Confident107 Ų10793 Ų9340%0.40445%0.446SS..Hα-helixtrans-63.9-42.8175.1-17261.3168.8175.9-0.9112.1F122 V580 L581 R586 I587 L588F122-R584 HydrophobicContact CE1-CB 4.13Å; F122-R584 HydrophobicContact CE1-CG 4.03Å; F122-R584 HydrophobicContact CZ-CB 4.34Å; F122-R584 HydrophobicContact CZ-CG 4.22Å; V580-R584 PolarHBondContact O-N 3.11Å; L581-R584 PolarHBondContact O-N 3.34Å; R584-R586 PolarHBondContact O-N 3.29Å; R584-I587 PolarHBondContact O-N 2.93Å; R584-L588 PolarHBondContact O-N 3.01Å
585W90.4Very high85.3Confident182 Ų18299.9 Ų99.969%0.68948%0.477SS*.Hα-helixtrans-58.8-46.4175.9-171.4-93.5000111.5L581 I587 L588 C589L581-W585 VanDerWaalsContact O-CB 3.3Å; L581-W585 WeakPolarHBondContact O-CB 3.49Å; L581-W585 PolarHBondContact O-N 3Å; W585-I587 VanDerWaalsContact C-N 3.32Å; W585-I587 PolarHBondContact O-N 2.86Å; W585-L588 PolarHBondContact O-N 3.21Å; W585-C589 PolarHBondContact NE1-SG 3.26Å; W585-C589 VanDerWaalsContact NE1-SG 3.38Å; W585-C589 WeakPolarHBondContact O-CB 3.46Å; W585-C589 PolarHBondContact O-N 3.37Å; W585-C589 PolarHBondContact O-SG 3.23Å
586R91.3Very high83.2Confident165 Ų165102 Ų10262%0.62349%0.489SS*.Hα-helixtrans-58.4-42.4175.2-77.8-177.9-70.9159.3-0.7112.5R582 T583 R584 S590R582-R586 WeakPolarHBondContact O-CB 3.29Å; R582-R586 VanDerWaalsContact O-CG 3.27Å; R582-R586 WeakPolarHBondContact O-CG 3.38Å; R582-R586 PolarHBondContact O-N 3.34Å; R582-R586 VanDerWaalsContact O-N 3.07Å; R582-R586 PolarHBondContact O-NE 3.36Å; T583-R586 PolarHBondContact O-N 3.2Å; T583-R586 PolarHBondContact OG1-NH2 3.28Å; T583-R586 VanDerWaalsContact OG1-NH2 3.12Å; R584-R586 PolarHBondContact O-N 3.29Å; R586-S590 PolarHBondContact O-N 3.35Å; R586-S590 PolarHBondContact O-OG 3.36Å
587I89.1Confident81Confident82 Ų82104.5 Ų104.542%0.42152%0.516SS..Hα-helixtrans-64.9-47.6176.8-65.5164.3000110.5T583 R584 W585 C589 S590 T591T583-I587 HydrophobicContact CG2-CD1 4.28Å; T583-I587 WeakPolarHBondContact O-CG1 3.5Å; T583-I587 PolarHBondContact O-N 3.1Å; T583-I587 VanDerWaalsContact O-N 3.11Å; R584-I587 PolarHBondContact O-N 2.93Å; W585-I587 VanDerWaalsContact C-N 3.32Å; W585-I587 PolarHBondContact O-N 2.86Å; I587-C589 PolarHBondContact O-N 3.37Å; I587-S590 WeakPolarHBondContact CA-OG 3.49Å; I587-S590 PolarHBondContact O-N 3.15Å; I587-S590 VanDerWaalsContact O-N 3.14Å; I587-S590 PolarHBondContact O-OG 3.42Å; I587-T591 PolarHBondContact O-N 3.23Å; I587-T591 PolarHBondContact O-OG1 2.89Å
588L89Confident78.4Confident83 Ų83107.9 Ų107.944%0.43555%0.55SS.*Hα-helixtrans-61-44.9179.3-128.683.2000111.7R584 W585 S590 T591 L592R584-L588 PolarHBondContact O-N 3.01Å; W585-L588 PolarHBondContact O-N 3.21Å; L588-S590 VanDerWaalsContact C-N 3.29Å; L588-S590 PolarHBondContact O-N 3.07Å; L588-T591 PolarHBondContact O-N 3.4Å; L588-L592 WeakPolarHBondContact O-CG 3.5Å; L588-L592 PolarHBondContact O-N 3.44Å
589C88.5Confident75.6Confident46 Ų46116.2 Ų116.231%0.31158%0.579SS.*Hα-helixtrans-62.3-34.9175.8-70.60000112.5W585 I587 K593W585-C589 PolarHBondContact NE1-SG 3.26Å; W585-C589 VanDerWaalsContact NE1-SG 3.38Å; W585-C589 WeakPolarHBondContact O-CB 3.46Å; W585-C589 PolarHBondContact O-N 3.37Å; W585-C589 PolarHBondContact O-SG 3.23Å; I587-C589 PolarHBondContact O-N 3.37Å; C589-K593 WeakPolarHBondContact O-CG 3.45Å; C589-K593 PolarHBondContact O-N 3.17Å
590S87.1Confident72.9Confident62 Ų62116.7 Ų116.743%0.43459%0.591SS.*Hα-helixtrans-68.8-37.7174.758.60000112.6R586 I587 L588 I594R586-S590 PolarHBondContact O-N 3.35Å; R586-S590 PolarHBondContact O-OG 3.36Å; I587-S590 WeakPolarHBondContact CA-OG 3.49Å; I587-S590 PolarHBondContact O-N 3.15Å; I587-S590 VanDerWaalsContact O-N 3.14Å; I587-S590 PolarHBondContact O-OG 3.42Å; L588-S590 VanDerWaalsContact C-N 3.29Å; L588-S590 PolarHBondContact O-N 3.07Å; S590-I594 WeakPolarHBondContact O-CD1 3.3Å; S590-I594 WeakPolarHBondContact O-CG1 3.38Å
591T83.2Confident70.3Confident93 Ų93123 Ų12357%0.57162%0.618SS**Hα-helixtrans-69.2-40.2177.1-51.70000111.7I587 L588 K593 I594I587-T591 PolarHBondContact O-N 3.23Å; I587-T591 PolarHBondContact O-OG1 2.89Å; L588-T591 PolarHBondContact O-N 3.4Å; T591-K593 VanDerWaalsContact C-N 3.29Å; T591-K593 PolarHBondContact O-N 3.27Å; T591-I594 PolarHBondContact O-N 3.35Å
592L79.3Confident67.8Low136 Ų136126.7 Ų126.771%0.71263%0.634SS**Hα-helixtrans-68.2-24.5179.9-70.8172.2000113.5L588 I594L588-L592 WeakPolarHBondContact O-CG 3.5Å; L588-L592 PolarHBondContact O-N 3.44Å; L592-I594 VanDerWaalsContact C-N 3.32Å; L592-I594 PolarHBondContact O-N 3.46Å
593K74.7Confident64.9Low183 Ų183130.4 Ų130.480%0.79665%0.654SS**THydrogen-bonded Turntrans-79.2-8.2176.5-75.5-174.4178.2-171.40114.4C589 T591C589-K593 WeakPolarHBondContact O-CG 3.45Å; C589-K593 PolarHBondContact O-N 3.17Å; T591-K593 VanDerWaalsContact C-N 3.29Å; T591-K593 PolarHBondContact O-N 3.27Å
594I62.2Low62.4Low137 Ų137135.1 Ų135.170%0.70367%0.672SS**THydrogen-bonded Turntrans-107.913.2-170.2-61.3171.9000113S590 T591 L592S590-I594 WeakPolarHBondContact O-CD1 3.3Å; S590-I594 WeakPolarHBondContact O-CG1 3.38Å; T591-I594 PolarHBondContact O-N 3.35Å; L592-I594 VanDerWaalsContact C-N 3.32Å; L592-I594 PolarHBondContact O-N 3.46Å
595Q44.6Very low59.8Low184 Ų184134.4 Ų134.486%0.8668%0.683SS**  trans-119.692.4169.2-88.5-163-32.800113.5
596P44.3Very low57.2Low117 Ų117134.3 Ų134.376%0.7669%0.688SS**  trans-111.7110.9136.121.2-5000109
597S43.6Very low54.8Low133 Ų133132.6 Ų132.693%0.9369%0.69SS**  trans-66.1123.4162.5-167.90000108.3
598G38.7Very low52.4Low71 Ų71135.1 Ų135.173%0.73271%0.709SS**  trans173.194.8-17800000114.3
599R32.9Very low49.9Very low236 Ų236139 Ų13989%0.89173%0.73SS**  trans-43.9149.9162.6-116.1178.1-106.4-174.2-6.1112.2
600I35.4Very low48Very low154 Ų154143 Ų14379%0.7976%0.756SS**  trans94.1102.4159.1-52146.1000116.3
601Q38.7Very low45.8Very low164 Ų164147.2 Ų147.277%0.76677%0.772SS**  178.9119.2123.3-100.3174.2-12.400112.9
602Q37.7Very low43.5Very low140 Ų140150.1 Ų150.165%0.65478%0.783SS**  trans50.4123.1141.1-67.5167-23.800118.6
603K31.6Very low41.7Very low209 Ų209151.6 Ų151.691%0.90979%0.791SS**  cis44.277.534.5-141-178.6-173.3-175.10115.5
604Q38.2Very low40.1Very low153 Ų153147.4 Ų147.472%0.71578%0.784SS**  trans-145.5102.4152.5-99.2165.1-24.800104.4
605S35.6Very low39Very low93 Ų93147.3 Ų147.365%0.6579%0.785SS**  64.8123.962.1850000114.3
606F36.1Very low38.7Very low180 Ų180144.9 Ų144.979%0.78978%0.778SS**  trans110.598.6151.6-85.8-101.5000121.4
607I39.3Very low38.5Very low128 Ų128145.8 Ų145.866%0.65678%0.777SS**  45.4120.4124.9-46.9-176.6000119.6
608T40.1Very low38.3Very low135 Ų135149.1 Ų149.183%0.82877%0.77SS**  168.1127.7115.331.30000112.7
609N36.2Very low38.4Very low164 Ų164151.4 Ų151.488%0.87777%0.766SS**  trans-98.6150.2160.1-80.5-28.7000108.7
610P48.1Very low38.8Very low131 Ų131145.8 Ų145.885%0.85176%0.758SS**  trans-113143.5158.521.8-3.5000112.8
611I40.6Very low38.9Very low150 Ų150145.9 Ų145.977%0.76976%0.755SS**  trans-105.8145.8-177.3-85.5171.5000109.8
612L36Very low38.9Very low154 Ų154144.4 Ų144.481%0.80675%0.748SS**  trans54.5130.9156.8-94.2118.5000120.5
613L40.8Very low39.1Very low168 Ų168145.1 Ų145.188%0.8875%0.751SS**  -178.5139.5116.4-94.3162000112.5
614S42.1Very low39.8Very low94 Ų94148.1 Ų148.166%0.65777%0.765SS**  trans87.695.3145.4-167.30000121.2
615N39.2Very low39.9Very low135 Ų135147.9 Ų147.972%0.72277%0.768SS**  65.1124.7118-72.2-6.5000123.3
616N38.5Very low40.1Very low133 Ų133150.8 Ų150.871%0.71177%0.774SS**  79.1105.8128.5-66.4-9.7000120.7
617N39.8Very low40.3Very low137 Ų137149.2 Ų149.273%0.73377%0.773SS**  55.5148.6115.8-80-0.4000121.9
618Y39.4Very low40.4Very low202 Ų202150.4 Ų150.479%0.79278%0.78SS**  trans79.3138.1172.2-67.7-87.2000115.5
619D41.1Very low40.4Very low119 Ų119151.4 Ų151.464%0.63678%0.777SS**  cis175.7164.7-25.6-113.3-27.9000102.8
620T40.2Very low40.7Very low119 Ų119150.5 Ų150.573%0.7377%0.77SS**  trans67.4111.6158.245.80000118
621E38.6Very low40.2Very low156 Ų156151.9 Ų151.973%0.72976%0.764SS**  94.4149.661.3-103-164.7131.600114.3
622H37Very low40.1Very low133 Ų133152.1 Ų152.162%0.61676%0.764SS**  trans80.3101.8166.4-69.4-69.5000118.1
623Q42Very low40.5Very low154 Ų154151.9 Ų151.972%0.7276%0.76SS**  90.894.178.2-93.9-172.9-23.200112.6
624F47.2Very low40.5Very low273 Ų273150.5 Ų150.5100%1.19775%0.749SS**  179.10105.6-115.7-83.7000111.1

Retrieved 624 of 624 residues in 225.9 ms (Link to these results)

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