A0A4W5R069_9TELE Loading...

SUMO-activating enzyme subunit 1

AlphaFold DB , UniProt , Accession A0A4W5R069, Species 9TELE (Hucho hucho, huchen), Gene n/a, Length 349 aa.

Structure Viewer
Loading PAE data...
(Predicted Aligned Error values between residue pairs)
Error loading PAE data: please refresh the page.

 

Download Structure   PDB   PAE   Table  
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
1M31.4Very low46.4Very low241 Ų241159.1 Ų159.1100%1.18778%0.784SS**  0101.50-94.3173.6-85.200105.9
2I34.9Very low49.7Very low160 Ų160148.1 Ų148.182%0.82173%0.73SS**  trans-87.3113.9173.7-64.5170.4000104M4I2-M4 PolarHBondContact O-N 2.94Å
3D30.6Very low52.7Low152 Ų152140.5 Ų140.581%0.81370%0.701SS**  trans-61.4103169.9-82.6-28.3000107.6I5D3-I5 VanDerWaalsContact C-N 3.26Å; D3-I5 PolarHBondContact O-N 3.41Å
4M36.6Very low55.3Low172 Ų172143.2 Ų143.285%0.84771%0.71SS**  trans-67.594.4163.3-65.7-177.378.200105.6I2 E6I2-M4 PolarHBondContact O-N 2.94Å; M4-E6 VanDerWaalsContact C-N 3.31Å; M4-E6 PolarHBondContact O-N 2.86Å
5I38.9Very low57.7Low151 Ų151142.9 Ų142.977%0.77471%0.706SS**  trans-57.7104.8162.6-62.5173.8000105D3 K7D3-I5 VanDerWaalsContact C-N 3.26Å; D3-I5 PolarHBondContact O-N 3.41Å; I5-K7 VanDerWaalsContact C-N 3.26Å; I5-K7 PolarHBondContact O-N 3.03Å
6E36.8Very low59.7Low185 Ų185135 Ų13586%0.86467%0.667SS**  trans-56.995.6167.6-74.8-179.2157.300106.5M4 E8M4-E6 VanDerWaalsContact C-N 3.31Å; M4-E6 PolarHBondContact O-N 2.86Å; E6-E8 PolarHBondContact O-N 2.99Å; E6-E8 VanDerWaalsContact O-N 3.1Å
7K49.5Very low61.5Low158 Ų158129.5 Ų129.569%0.68765%0.647SS**  trans-59.8115.1164.5-86.8-173.3170.2-169.70105I5 E9 E128I5-K7 VanDerWaalsContact C-N 3.26Å; I5-K7 PolarHBondContact O-N 3.03Å; K7-E9 PolarHBondContact O-N 3.14Å; K7-E9 VanDerWaalsContact O-N 3.15Å; K7-E128 IonicContact NZ-OE1 3.69Å
8E50.5Low63.2Low188 Ų188126.4 Ų126.488%0.87965%0.645SS**  trans-39123.3171.4-81.2178.314800108.9E6 S10E6-E8 PolarHBondContact O-N 2.99Å; E6-E8 VanDerWaalsContact O-N 3.1Å; E8-S10 PolarHBondContact O-N 2.89Å
9E55.8Low64.8Low160 Ų160124.1 Ų124.175%0.74863%0.632SS**  trans-57.6114.4176.2-81.1-165.9146.600108K7 I11K7-E9 PolarHBondContact O-N 3.14Å; K7-E9 VanDerWaalsContact O-N 3.15Å; E9-I11 PolarHBondContact O-N 3.36Å
10S65.9Low66.4Low34 Ų34118 Ų11824%0.23860%0.601CS.*  trans-64.7105.6175.563.70000108.2E8 I12 K33E8-S10 PolarHBondContact O-N 2.89Å; S10-I12 PolarHBondContact O-N 3.4Å; S10-K33 WeakPolarHBondContact O-CG 3.46Å; S10-K33 WeakPolarHBondContact OG-CA 3.37Å; S10-K33 WeakPolarHBondContact OG-CB 3.03Å; S10-K33 PolarHBondContact OG-O 3.22Å; S10-K33 VanDerWaalsContact OG-O 3.13Å
11I79.7Confident67.7Low149 Ų149115.3 Ų115.376%0.76459%0.588SS**PPolyproline II helixtrans-75.3123.5173.1-59.4173.4000106.9E9E9-I11 PolarHBondContact O-N 3.36Å
12I85.3Confident70.7Confident27 Ų27114.3 Ų114.314%0.13857%0.571CS.*PPolyproline II helixtrans-81.5125173.8-60.8-166.1000107.5S10 E16 A17 L29 Q32 K33S10-I12 PolarHBondContact O-N 3.4Å; I12-E16 WeakPolarHBondContact CA-OE2 3.5Å; I12-E16 HydrophobicContact CG2-CB 3.42Å; I12-E16 VanDerWaalsContact CG2-CB 3.42Å; I12-A17 HydrophobicContact CG2-CB 4.27Å; I12-L29 HydrophobicContact CD1-CD1 3.69Å; I12-Q32 HydrophobicContact CD1-CB 3.94Å; I12-Q32 HydrophobicContact CD1-CG 3.7Å; I12-K33 HydrophobicContact CD1-CG 3.92Å; I12-K33 HydrophobicContact CG1-CG 3.99Å
13S88.8Confident73.5Confident50 Ų50109 Ų10935%0.3554%0.543SS..PPolyproline II helixtrans-67.4163.817779.70000111.5E15 E16 A17S13-E15 VanDerWaalsContact C-N 3.26Å; S13-E15 PolarHBondContact O-N 3.1Å; S13-E15 PolarHBondContact OG-N 3.15Å; S13-E16 PolarHBondContact N-OE2 2.87Å; S13-E16 PolarHBondContact O-N 2.63Å; S13-E16 WeakPolarHBondContact OG-CB 3.49Å; S13-E16 WeakPolarHBondContact OG-CG 3.49Å; S13-E16 PolarHBondContact OG-N 3.24Å; S13-A17 WeakPolarHBondContact O-CB 3.33Å; S13-A17 PolarHBondContact O-N 2.81Å
14E90.2Very high76.4Confident178 Ų178103.3 Ų103.383%0.83251%0.511SS*.Hα-helixtrans-61.2-37.7175.4-172176.6-174.800111.8A17 A18E14-A17 PolarHBondContact O-N 3.38Å; E14-A18 PolarHBondContact O-N 2.74Å
15E90.8Very high79.1Confident139 Ų139104 Ų10465%0.6551%0.505SS*.Hα-helixtrans-63.6-45.2174.9-165.6-174177.300111.4S13 A17 A18 Q19 M106S13-E15 VanDerWaalsContact C-N 3.26Å; S13-E15 PolarHBondContact O-N 3.1Å; S13-E15 PolarHBondContact OG-N 3.15Å; E15-A17 VanDerWaalsContact C-N 3.34Å; E15-A17 PolarHBondContact O-N 3.39Å; E15-A18 PolarHBondContact O-N 3.4Å; E15-Q19 WeakPolarHBondContact O-CB 3.49Å; E15-Q19 PolarHBondContact O-N 3.33Å; E15-M106 HydrophobicContact CB-CE 3.89Å; E15-M106 HydrophobicContact CG-CE 3.49Å; E15-M106 VanDerWaalsContact CG-CE 3.49Å
16E90.2Very high81.6Confident16 Ų16102.6 Ų102.68%0.07550%0.498CS..Hα-helixtrans-63.9-39.7175.5-74.6172.7151.600111.4I12 S13 A18 Q19 Y20 R36 M106I12-E16 WeakPolarHBondContact CA-OE2 3.5Å; I12-E16 HydrophobicContact CG2-CB 3.42Å; I12-E16 VanDerWaalsContact CG2-CB 3.42Å; S13-E16 PolarHBondContact N-OE2 2.87Å; S13-E16 PolarHBondContact O-N 2.63Å; S13-E16 WeakPolarHBondContact OG-CB 3.49Å; S13-E16 WeakPolarHBondContact OG-CG 3.49Å; S13-E16 PolarHBondContact OG-N 3.24Å; E16-A18 VanDerWaalsContact C-N 3.33Å; E16-A18 PolarHBondContact O-N 2.81Å; E16-Q19 PolarHBondContact O-N 3.4Å; E16-Y20 HydrophobicContact CB-CD2 4.03Å; E16-Y20 HydrophobicContact CB-CE2 3.97Å; E16-Y20 HydrophobicContact CG-CE2 4.05Å; E16-Y20 WeakPolarHBondContact O-CB 3.41Å; E16-Y20 WeakPolarHBondContact O-CD2 3.47Å; E16-Y20 PolarHBondContact O-N 3.16Å; E16-R36 IonicContact OE1-CZ 3.8Å; E16-R36 VanDerWaalsContact OE1-CZ 3.23Å; E16-R36 IonicContact OE1-NE 3.92Å; E16-R36 PolarHBondContact OE1-NE 2.82Å; E16-R36 IonicContact OE1-NH2 2.62Å; E16-R36 PolarHBondContact OE1-NH2 3.46Å; E16-M106 HydrophobicContact CB-CE 4.33Å; E16-M106 HydrophobicContact CB-SD 4.18Å; E16-M106 HydrophobicContact CG-CE 3.68Å; E16-M106 HydrophobicContact CG-CG 4.18Å; E16-M106 HydrophobicContact CG-SD 3.29Å; E16-M106 WeakPolarHBondContact CG-SD 3.16Å
17A90.1Very high84.1Confident41 Ų4194.7 Ų94.734%0.33946%0.46SS..Hα-helixtrans-63.1-40.5177.200000111.6I12 S13 E14 E15 D21I12-A17 HydrophobicContact CG2-CB 4.27Å; S13-A17 WeakPolarHBondContact O-CB 3.33Å; S13-A17 PolarHBondContact O-N 2.81Å; E14-A17 PolarHBondContact O-N 3.38Å; E15-A17 VanDerWaalsContact C-N 3.34Å; E15-A17 PolarHBondContact O-N 3.39Å; A17-D21 WeakPolarHBondContact O-CA 3.21Å; A17-D21 WeakPolarHBondContact O-CB 3.36Å; A17-D21 PolarHBondContact O-N 3.22Å; A17-D21 VanDerWaalsContact O-N 3.09Å
18A91.9Very high86.1Confident74 Ų7488.3 Ų88.361%0.61244%0.439SS*.Hα-helixtrans-68.5-44.6175.200000112.2E14 E15 E16E14-A18 PolarHBondContact O-N 2.74Å; E15-A18 PolarHBondContact O-N 3.4Å; E16-A18 VanDerWaalsContact C-N 3.33Å; E16-A18 PolarHBondContact O-N 2.81Å
19Q93.7Very high88.1Confident83 Ų8383.1 Ų83.139%0.38842%0.417SS..Hα-helixtrans-66.2-41.4-179.1-178.8168.9-22.300112.5E15 E16 N104 M106E15-Q19 WeakPolarHBondContact O-CB 3.49Å; E15-Q19 PolarHBondContact O-N 3.33Å; E16-Q19 PolarHBondContact O-N 3.4Å; Q19-N104 PolarHBondContact NE2-ND2 2.75Å; Q19-N104 PolarHBondContact NE2-OD1 2.94Å; Q19-N104 VanDerWaalsContact NE2-OD1 3.07Å; Q19-M106 HydrophobicContact CB-CE 4.48Å; Q19-M106 PolarHBondContact OE1-SD 3.23Å
20Y95.5Very high89.8Confident2 Ų280.2 Ų80.21%0.00841%0.407CS..THydrogen-bonded Turntrans-94.26.4-178.3-55.2-53.7000113.9E16 R22 Q23 I24 Q32 G60 N104 M106E16-Y20 HydrophobicContact CB-CD2 4.03Å; E16-Y20 HydrophobicContact CB-CE2 3.97Å; E16-Y20 HydrophobicContact CG-CE2 4.05Å; E16-Y20 WeakPolarHBondContact O-CB 3.41Å; E16-Y20 WeakPolarHBondContact O-CD2 3.47Å; E16-Y20 PolarHBondContact O-N 3.16Å; Y20-R22 VanDerWaalsContact C-N 3.29Å; Y20-R22 PolarHBondContact O-N 2.98Å; Y20-R22 VanDerWaalsContact O-N 3.13Å; Y20-Q23 CarbonylContact O-C 3.58Å; Y20-Q23 WeakPolarHBondContact O-CA 3.41Å; Y20-Q23 WeakPolarHBondContact O-CB 3.33Å; Y20-Q23 PolarHBondContact O-N 3.29Å; Y20-I24 WeakPolarHBondContact O-CG1 3.4Å; Y20-I24 PolarHBondContact O-N 3.15Å; Y20-Q32 HydrophobicContact CD2-CG 4.3Å; Y20-Q32 HydrophobicContact CG-CG 4.49Å; Y20-G60 WeakPolarHBondContact OH-CA 3.47Å; Y20-N104 PolarHBondContact OH-ND2 3.12Å; Y20-M106 HydrophobicContact CE2-SD 4.09Å
21D94.9Very high91.2Very high61 Ų6178.7 Ų78.733%0.32640%0.396SS..Hα-helixtrans-46.8-49.3-175173.879.2000112.7A17 Q23 I24 R25A17-D21 WeakPolarHBondContact O-CA 3.21Å; A17-D21 WeakPolarHBondContact O-CB 3.36Å; A17-D21 PolarHBondContact O-N 3.22Å; A17-D21 VanDerWaalsContact O-N 3.09Å; D21-Q23 VanDerWaalsContact C-N 3.33Å; D21-Q23 PolarHBondContact O-N 2.98Å; D21-I24 PolarHBondContact O-N 2.86Å; D21-R25 VanDerWaalsContact CG-NE 3.3Å; D21-R25 VanDerWaalsContact O-CG 3.26Å; D21-R25 WeakPolarHBondContact O-CG 3.47Å; D21-R25 PolarHBondContact O-N 3.25Å; D21-R25 IonicContact OD1-CZ 3.73Å; D21-R25 IonicContact OD1-NE 3.58Å; D21-R25 PolarHBondContact OD1-NE 3.07Å; D21-R25 VanDerWaalsContact OD1-NE 3.15Å; D21-R25 IonicContact OD1-NH2 3.01Å; D21-R25 PolarHBondContact OD1-NH2 3.17Å; D21-R25 IonicContact OD2-CZ 3.43Å; D21-R25 IonicContact OD2-NE 3.56Å; D21-R25 PolarHBondContact OD2-NE 3.4Å; D21-R25 IonicContact OD2-NH2 2.71Å; D21-R25 PolarHBondContact OD2-NH2 3.25Å
22R95Very high92Very high220 Ų22071.7 Ų71.783%0.8336%0.36SS*.Hα-helixtrans-64-36.4179.6-66.1-172.1179.5-153.90.7113.3Y20 L26Y20-R22 VanDerWaalsContact C-N 3.29Å; Y20-R22 PolarHBondContact O-N 2.98Å; Y20-R22 VanDerWaalsContact O-N 3.13Å; R22-L26 PolarHBondContact O-N 2.82Å
23Q91.9Very high92.4Very high50 Ų5072.9 Ų72.923%0.23436%0.364CS..Hα-helixtrans-76.2-41-179.7-59.5-179.240.100110.6Y20 D21 R25 L26 W27 L58Y20-Q23 CarbonylContact O-C 3.58Å; Y20-Q23 WeakPolarHBondContact O-CA 3.41Å; Y20-Q23 WeakPolarHBondContact O-CB 3.33Å; Y20-Q23 PolarHBondContact O-N 3.29Å; D21-Q23 VanDerWaalsContact C-N 3.33Å; D21-Q23 PolarHBondContact O-N 2.98Å; Q23-R25 VanDerWaalsContact C-N 3.29Å; Q23-R25 PolarHBondContact O-N 2.91Å; Q23-L26 WeakPolarHBondContact O-CA 3.28Å; Q23-L26 WeakPolarHBondContact O-CB 3.49Å; Q23-L26 PolarHBondContact O-N 3.48Å; Q23-W27 HydrophobicContact CB-CH2 4.19Å; Q23-W27 HydrophobicContact CB-CZ2 3.59Å; Q23-W27 HydrophobicContact CG-CH2 4.39Å; Q23-W27 HydrophobicContact CG-CZ2 4.19Å; Q23-W27 PolarHBondContact O-N 2.88Å; Q23-W27 PolarHBondContact O-NE1 3.5Å; Q23-L58 PolarHBondContact NE2-O 2.85Å; Q23-L58 VanDerWaalsContact NE2-O 3.1Å
24I93Very high92.8Very high31 Ų3174.5 Ų74.516%0.15936%0.363CS..Hα-helixtrans-60.2-38.6173.4-68.7168.5000110.8Y20 D21 L26 G28 L29 Q32Y20-I24 WeakPolarHBondContact O-CG1 3.4Å; Y20-I24 PolarHBondContact O-N 3.15Å; D21-I24 PolarHBondContact O-N 2.86Å; I24-L26 PolarHBondContact O-N 3.44Å; I24-G28 WeakPolarHBondContact O-CA 3.1Å; I24-G28 PolarHBondContact O-N 2.75Å; I24-L29 HydrophobicContact CD1-CD1 4.09Å; I24-L29 HydrophobicContact CG2-CB 4.32Å; I24-L29 HydrophobicContact CG2-CD1 4.32Å; I24-Q32 HydrophobicContact CD1-CG 4.37Å; I24-Q32 HydrophobicContact CG1-CB 3.98Å; I24-Q32 HydrophobicContact CG1-CG 4Å
25R91.9Very high93Very high187 Ų18766 Ų6671%0.70632%0.323SS*.Hα-helixtrans-63.5-27.7173.4-72171.5-167.4-76.2-11.7113.4D21 Q23D21-R25 VanDerWaalsContact CG-NE 3.3Å; D21-R25 VanDerWaalsContact O-CG 3.26Å; D21-R25 WeakPolarHBondContact O-CG 3.47Å; D21-R25 PolarHBondContact O-N 3.25Å; D21-R25 IonicContact OD1-CZ 3.73Å; D21-R25 IonicContact OD1-NE 3.58Å; D21-R25 PolarHBondContact OD1-NE 3.07Å; D21-R25 VanDerWaalsContact OD1-NE 3.15Å; D21-R25 IonicContact OD1-NH2 3.01Å; D21-R25 PolarHBondContact OD1-NH2 3.17Å; D21-R25 IonicContact OD2-CZ 3.43Å; D21-R25 IonicContact OD2-NE 3.56Å; D21-R25 PolarHBondContact OD2-NE 3.4Å; D21-R25 IonicContact OD2-NH2 2.71Å; D21-R25 PolarHBondContact OD2-NH2 3.25Å; Q23-R25 VanDerWaalsContact C-N 3.29Å; Q23-R25 PolarHBondContact O-N 2.91Å
26L91.6Very high93.2Very high121 Ų12161.8 Ų61.863%0.63430%0.301SS*.Hα-helixtrans-82.1-52.7-179.1-179.365.5000111.7R22 Q23 I24R22-L26 PolarHBondContact O-N 2.82Å; Q23-L26 WeakPolarHBondContact O-CA 3.28Å; Q23-L26 WeakPolarHBondContact O-CB 3.49Å; Q23-L26 PolarHBondContact O-N 3.48Å; I24-L26 PolarHBondContact O-N 3.44Å
27W89.9Confident93.5Very high20 Ų2062.4 Ų62.48%0.07631%0.312CS..Hα-helixtrans-112.5-5.4-17252.750.7000115.2Q23 A31 L35 V318 R324Q23-W27 HydrophobicContact CB-CH2 4.19Å; Q23-W27 HydrophobicContact CB-CZ2 3.59Å; Q23-W27 HydrophobicContact CG-CH2 4.39Å; Q23-W27 HydrophobicContact CG-CZ2 4.19Å; Q23-W27 PolarHBondContact O-N 2.88Å; Q23-W27 PolarHBondContact O-NE1 3.5Å; W27-A31 HydrophobicContact CB-CB 4.08Å; W27-A31 HydrophobicContact CG-CB 4.15Å; W27-A31 VanDerWaalsContact O-CB 3.26Å; W27-A31 WeakPolarHBondContact O-CB 3.38Å; W27-L35 HydrophobicContact CZ2-CD2 4.33Å; W27-V318 HydrophobicContact CE3-CG1 4.23Å; W27-V318 HydrophobicContact CH2-CG1 3.82Å; W27-V318 HydrophobicContact CZ2-CG1 4.38Å; W27-V318 HydrophobicContact CZ3-CG1 3.73Å; W27-R324 WeakPolarHBondContact O-CD 3.34Å; W27-R324 VanDerWaalsContact O-CZ 3.32Å; W27-R324 PolarHBondContact O-NE 3.07Å; W27-R324 PolarHBondContact O-NH1 3.29Å
28G91.9Very high93.9Very high23 Ų2361 Ų6124%0.23730%0.299CS..  trans87.8159.7177.600000114I24 D30 A31 Q32I24-G28 WeakPolarHBondContact O-CA 3.1Å; I24-G28 PolarHBondContact O-N 2.75Å; G28-D30 PolarHBondContact O-N 2.78Å; G28-A31 PolarHBondContact O-N 3.45Å; G28-Q32 PolarHBondContact O-N 2.92Å
29L92.3Very high94.2Very high79 Ų7961.3 Ų61.341%0.41429%0.285SS..Hα-helixtrans-63.4-41.7-174.5-172.767.6000112.8I12 I24 A31 Q32 K33I12-L29 HydrophobicContact CD1-CD1 3.69Å; I24-L29 HydrophobicContact CD1-CD1 4.09Å; I24-L29 HydrophobicContact CG2-CB 4.32Å; I24-L29 HydrophobicContact CG2-CD1 4.32Å; L29-A31 VanDerWaalsContact C-N 3.3Å; L29-A31 PolarHBondContact O-N 2.87Å; L29-Q32 WeakPolarHBondContact O-CB 3.34Å; L29-Q32 PolarHBondContact O-N 2.84Å; L29-Q32 VanDerWaalsContact O-N 3.15Å; L29-K33 WeakPolarHBondContact O-CG 3.24Å; L29-K33 PolarHBondContact O-N 2.95Å
30D91.9Very high94.5Very high100 Ų10057.4 Ų57.454%0.53527%0.267SS..Hα-helixtrans-66.4-33.7-178.2-63.8-26.1000112.7G28 K33 R34G28-D30 PolarHBondContact O-N 2.78Å; D30-K33 PolarHBondContact O-N 2.89Å; D30-R34 PolarHBondContact O-N 2.84Å; D30-R34 VanDerWaalsContact O-N 3.1Å; D30-R34 PolarHBondContact O-NH1 2.95Å
31A94.3Very high94.6Very high2 Ų257.3 Ų57.32%0.01727%0.266CS..Hα-helixtrans-64.2-44.4172.900000110.6W27 G28 L29 K33 R34 L35 R324W27-A31 HydrophobicContact CB-CB 4.08Å; W27-A31 HydrophobicContact CG-CB 4.15Å; W27-A31 VanDerWaalsContact O-CB 3.26Å; W27-A31 WeakPolarHBondContact O-CB 3.38Å; G28-A31 PolarHBondContact O-N 3.45Å; L29-A31 VanDerWaalsContact C-N 3.3Å; L29-A31 PolarHBondContact O-N 2.87Å; A31-K33 PolarHBondContact O-N 2.93Å; A31-R34 PolarHBondContact O-N 3.43Å; A31-L35 PolarHBondContact O-N 2.89Å; A31-R324 HydrophobicContact CB-CB 4.43Å
32Q96.3Very high94.8Very high1 Ų154.4 Ų54.41%0.00525%0.251CS..Hα-helixtrans-62.6-41.9176-167.46426.400112.1I12 Y20 I24 G28 L29 L35 R36 A59I12-Q32 HydrophobicContact CD1-CB 3.94Å; I12-Q32 HydrophobicContact CD1-CG 3.7Å; Y20-Q32 HydrophobicContact CD2-CG 4.3Å; Y20-Q32 HydrophobicContact CG-CG 4.49Å; I24-Q32 HydrophobicContact CD1-CG 4.37Å; I24-Q32 HydrophobicContact CG1-CB 3.98Å; I24-Q32 HydrophobicContact CG1-CG 4Å; G28-Q32 PolarHBondContact O-N 2.92Å; L29-Q32 WeakPolarHBondContact O-CB 3.34Å; L29-Q32 PolarHBondContact O-N 2.84Å; L29-Q32 VanDerWaalsContact O-N 3.15Å; Q32-L35 PolarHBondContact O-N 2.75Å; Q32-R36 WeakPolarHBondContact O-CB 3.1Å; Q32-R36 PolarHBondContact O-N 3.05Å; Q32-A59 PolarHBondContact NE2-O 2.95Å
33K95.1Very high95Very high52 Ų5244.2 Ų44.223%0.22621%0.213CC..Hα-helixtrans-58.3-48.2175.3-74.7-176.5174.1-178.10112S10 I12 L29 D30 A31 L35 R36 G37S10-K33 WeakPolarHBondContact O-CG 3.46Å; S10-K33 WeakPolarHBondContact OG-CA 3.37Å; S10-K33 WeakPolarHBondContact OG-CB 3.03Å; S10-K33 PolarHBondContact OG-O 3.22Å; S10-K33 VanDerWaalsContact OG-O 3.13Å; I12-K33 HydrophobicContact CD1-CG 3.92Å; I12-K33 HydrophobicContact CG1-CG 3.99Å; L29-K33 WeakPolarHBondContact O-CG 3.24Å; L29-K33 PolarHBondContact O-N 2.95Å; D30-K33 PolarHBondContact O-N 2.89Å; A31-K33 PolarHBondContact O-N 2.93Å; K33-L35 VanDerWaalsContact C-N 3.32Å; K33-L35 PolarHBondContact O-N 3.06Å; K33-R36 PolarHBondContact O-N 3.04Å; K33-G37 PolarHBondContact O-N 3.41Å
34R96.1Very high95.3Very high84 Ų8442.3 Ų42.332%0.31721%0.207SC..Hα-helixtrans-60.6-41.9177.1-74.9-171.2-68.2-842.1112.1D30 A31 G37 S38 S322D30-R34 PolarHBondContact O-N 2.84Å; D30-R34 VanDerWaalsContact O-N 3.1Å; D30-R34 PolarHBondContact O-NH1 2.95Å; A31-R34 PolarHBondContact O-N 3.43Å; R34-G37 PolarHBondContact O-N 3.02Å; R34-S38 PolarHBondContact O-N 3.1Å; R34-S38 PolarHBondContact O-OG 3.34Å; R34-S322 PolarHBondContact NE-O 3.37Å; R34-S322 PolarHBondContact NH2-O 2.82Å
35L95.4Very high95.5Very high0 Ų040.8 Ų40.80%020%0.199CC..Hα-helixtrans-62.7-45.6176.6-169.965.4000111.5W27 A31 Q32 K33 G37 S38 A59 V61 K62 V318 L321W27-L35 HydrophobicContact CZ2-CD2 4.33Å; A31-L35 PolarHBondContact O-N 2.89Å; Q32-L35 PolarHBondContact O-N 2.75Å; K33-L35 VanDerWaalsContact C-N 3.32Å; K33-L35 PolarHBondContact O-N 3.06Å; L35-G37 PolarHBondContact O-N 3.4Å; L35-S38 WeakPolarHBondContact O-CB 3.35Å; L35-S38 PolarHBondContact O-N 3.28Å; L35-A59 HydrophobicContact CD2-CB 3.83Å; L35-A59 WeakPolarHBondContact CD2-O 3.48Å; L35-V61 HydrophobicContact CD1-CG1 3.69Å; L35-V61 HydrophobicContact CG-CG1 4.11Å; L35-V61 WeakPolarHBondContact O-CA 3.46Å; L35-K62 PolarHBondContact O-N 3.25Å; L35-V318 HydrophobicContact CD1-CG2 4.34Å; L35-V318 HydrophobicContact CD2-CG1 4.21Å; L35-V318 HydrophobicContact CD2-CG2 4.45Å; L35-L321 HydrophobicContact CD1-CB 4Å; L35-L321 HydrophobicContact CD1-CD1 4.06Å
36R94.9Very high95.8Very high50 Ų5035.1 Ų35.119%0.18918%0.178CC..Hα-helixtrans-63-22.1177.6-170.359.7178.3125.8-1.8113.9E16 Q32 K33 G60 K62 M106E16-R36 IonicContact OE1-CZ 3.8Å; E16-R36 VanDerWaalsContact OE1-CZ 3.23Å; E16-R36 IonicContact OE1-NE 3.92Å; E16-R36 PolarHBondContact OE1-NE 2.82Å; E16-R36 IonicContact OE1-NH2 2.62Å; E16-R36 PolarHBondContact OE1-NH2 3.46Å; Q32-R36 WeakPolarHBondContact O-CB 3.1Å; Q32-R36 PolarHBondContact O-N 3.05Å; K33-R36 PolarHBondContact O-N 3.04Å; R36-G60 WeakPolarHBondContact CA-O 3.41Å; R36-G60 WeakPolarHBondContact CD-O 3.49Å; R36-K62 VanDerWaalsContact O-CA 3.29Å; R36-K62 WeakPolarHBondContact O-CA 3.32Å; R36-K62 WeakPolarHBondContact O-CB 3.37Å; R36-M106 PolarHBondContact NH1-O 2.82Å; R36-M106 PolarHBondContact NH2-O 3.42Å
37G96.1Very high96.1Very high30 Ų3029.9 Ų29.931%0.30915%0.152SC..THydrogen-bonded Turntrans-85.9-6.8173.100000115.3K33 R34 L35K33-G37 PolarHBondContact O-N 3.41Å; R34-G37 PolarHBondContact O-N 3.02Å; L35-G37 PolarHBondContact O-N 3.4Å
38S98.3Very high96.5Very high10 Ų1029 Ų297%0.0715%0.15CC..  trans-103.4133.9-169.3-60.40000113.4R34 L35 K62R34-S38 PolarHBondContact O-N 3.1Å; R34-S38 PolarHBondContact O-OG 3.34Å; L35-S38 WeakPolarHBondContact O-CB 3.35Å; L35-S38 PolarHBondContact O-N 3.28Å; S38-K62 WeakPolarHBondContact O-CA 3.36Å; S38-K62 WeakPolarHBondContact O-CB 3.19Å; S38-K62 PolarHBondContact O-N 3.38Å
39R98.8Very high96.8Very high82 Ų8228 Ų2831%0.30914%0.138SC..EExtended strand (participates in β ladder)trans-101.5139.5170.8-74.8-174.1154.1129.1-4.3111.3K62 G63 E108 F127 E128R39-K62 HydrophobicContact CG-CB 4.11Å; R39-K62 HydrophobicContact CG-CD 4.23Å; R39-K62 HydrophobicContact CG-CG 4.31Å; R39-G63 WeakPolarHBondContact CA-O 3.23Å; R39-E108 IonicContact CZ-OE2 3.72Å; R39-E108 IonicContact NE-OE2 2.92Å; R39-E108 IonicContact NH2-OE2 3.2Å; R39-E108 PolarHBondContact NH2-OE2 3.47Å; R39-F127 HydrophobicContact CB-CD1 4.15Å; R39-E128 PolarHBondContact N-OE2 3.32Å; R39-E128 PolarHBondContact O-N 3.13Å
40V98.9Very high97.1Very high0 Ų024.2 Ų24.20%012%0.119CC..EExtended strand (participates in β ladder)trans-122.7137.9-179-1740000110.5L56 V61 G63 L64 T65 A129 V317 L321V40-L56 HydrophobicContact CB-CD1 4.41Å; V40-L56 HydrophobicContact CG1-CD1 3.89Å; V40-V61 HydrophobicContact CG2-CG1 4.23Å; V40-G63 PolarHBondContact N-O 3.05Å; V40-L64 HydrophobicContact CB-CD1 3.85Å; V40-L64 HydrophobicContact CG1-CD1 4.04Å; V40-L64 WeakPolarHBondContact O-CA 3.3Å; V40-T65 PolarHBondContact O-N 2.93Å; V40-A129 WeakPolarHBondContact CA-O 3.4Å; V40-A129 HydrophobicContact CG1-CB 4.36Å; V40-A129 HydrophobicContact CG2-CB 4.39Å; V40-V317 HydrophobicContact CG2-CG1 4.42Å; V40-L321 HydrophobicContact CG2-CD1 3.63Å
41L98.9Very high97.5Very high0 Ų020.8 Ų20.80%010%0.1CC..EExtended strand (participates in β ladder)trans-97.2130.2164.7176.165000108.9V43 T65 L67 F123 F124 F127 A129 V130 C131L41-V43 HydrophobicContact CD1-CG2 4.44Å; L41-V43 HydrophobicContact CD2-CG2 4.12Å; L41-V43 HydrophobicContact CG-CG2 4.04Å; L41-T65 HydrophobicContact CD1-CG2 4.01Å; L41-L67 HydrophobicContact CD1-CB 3.91Å; L41-L67 HydrophobicContact CD1-CD1 4.17Å; L41-F123 HydrophobicContact CD1-CE1 3.98Å; L41-F123 HydrophobicContact CD1-CZ 4.05Å; L41-F123 HydrophobicContact CD2-CD1 4.38Å; L41-F123 HydrophobicContact CD2-CE1 3.66Å; L41-F123 HydrophobicContact CG-CE1 4.49Å; L41-F124 HydrophobicContact CD2-CD1 3.75Å; L41-F124 HydrophobicContact CD2-CE1 3.87Å; L41-F127 HydrophobicContact CB-CB 4.42Å; L41-F127 HydrophobicContact CB-CD1 3.89Å; L41-F127 HydrophobicContact CB-CD2 3.63Å; L41-F127 HydrophobicContact CB-CE1 3.99Å; L41-F127 HydrophobicContact CB-CE2 3.73Å; L41-F127 HydrophobicContact CB-CG 3.72Å; L41-F127 HydrophobicContact CB-CZ 3.91Å; L41-F127 HydrophobicContact CD1-CE2 4.09Å; L41-F127 HydrophobicContact CD1-CZ 4Å; L41-F127 HydrophobicContact CD2-CD2 4.14Å; L41-F127 HydrophobicContact CD2-CE2 3.94Å; L41-F127 HydrophobicContact CG-CD2 4.4Å; L41-F127 HydrophobicContact CG-CE2 4.14Å; L41-F127 HydrophobicContact CG-CZ 4.4Å; L41-A129 PolarHBondContact N-O 3.26Å; L41-V130 HydrophobicContact CB-CG1 4.42Å; L41-V130 HydrophobicContact CB-CG2 4.25Å; L41-V130 HydrophobicContact CD2-CG1 3.94Å; L41-V130 HydrophobicContact CD2-CG2 4.29Å; L41-V130 HydrophobicContact CG-CG1 4.36Å; L41-V130 WeakPolarHBondContact O-CA 3.44Å; L41-C131 PolarHBondContact O-N 3.33Å
42L98.9Very high97.7Very high0 Ų020.7 Ų20.70%010%0.099CC..EExtended strand (participates in β ladder)trans-121.5117.2172.317564.1000109.3L45 G49 V52 A53 L64 T65 L66 L67 C131 T133L42-L45 HydrophobicContact CD2-CD2 4.38Å; L42-L45 HydrophobicContact CG-CD2 4.33Å; L42-G49 VanDerWaalsContact CD2-O 3.31Å; L42-G49 WeakPolarHBondContact CD2-O 3.43Å; L42-V52 HydrophobicContact CD1-CB 4.33Å; L42-V52 HydrophobicContact CD1-CG1 3.98Å; L42-V52 HydrophobicContact CD2-CB 4.34Å; L42-V52 HydrophobicContact CD2-CG1 4.28Å; L42-A53 HydrophobicContact CD2-CB 3.7Å; L42-L64 HydrophobicContact CB-CD1 3.95Å; L42-T65 PolarHBondContact N-O 3.15Å; L42-L66 HydrophobicContact CD2-CD2 4.17Å; L42-L67 PolarHBondContact O-N 2.89Å; L42-C131 HydrophobicContact CD1-CB 3.62Å; L42-T133 HydrophobicContact CD1-CG2 4.35Å
43V98.9Very high97.8Very high6 Ų620.7 Ų20.74%0.03610%0.099CC..EExtended strand (participates in β ladder)trans-100.5131.5179-178.60000109.9L41 L67 V116 C131 L132 T133L41-V43 HydrophobicContact CD1-CG2 4.44Å; L41-V43 HydrophobicContact CD2-CG2 4.12Å; L41-V43 HydrophobicContact CG-CG2 4.04Å; V43-L67 CarbonylContact C-O 3.59Å; V43-L67 WeakPolarHBondContact CA-O 3.39Å; V43-L67 HydrophobicContact CG1-CD2 4.26Å; V43-L67 HydrophobicContact CG2-CB 4.33Å; V43-V116 HydrophobicContact CG1-CB 3.98Å; V43-V116 HydrophobicContact CG1-CG1 3.94Å; V43-V116 HydrophobicContact CG1-CG2 4.14Å; V43-V116 HydrophobicContact CG2-CG2 4.06Å; V43-C131 PolarHBondContact N-O 3.22Å; V43-L132 HydrophobicContact CB-CD2 3.89Å; V43-L132 HydrophobicContact CG1-CD2 4.5Å; V43-L132 HydrophobicContact CG2-CD2 3.68Å; V43-T133 PolarHBondContact O-N 2.66Å; V43-T133 PolarHBondContact O-OG1 3.34Å
44G98.3Very high98Very high10 Ų1020.6 Ų20.610%0.10310%0.098CC..  trans83.7118.3-178.500000112.1G49 L67 T133G44-G49 WeakPolarHBondContact O-CA 3.3Å; G44-L67 PolarHBondContact N-O 2.87Å; G44-T133 PolarHBondContact O-OG1 2.9Å
45L97.6Very high98.1Very high0 Ų018.5 Ų18.50%09%0.093CC..  trans-116.639.4-174.1-98.3-63.4000112.4L42 L66 D68 Q80 R92L42-L45 HydrophobicContact CD2-CD2 4.38Å; L42-L45 HydrophobicContact CG-CD2 4.33Å; L45-L66 HydrophobicContact CD1-CD1 4.38Å; L45-L66 HydrophobicContact CD1-CD2 4.2Å; L45-L66 HydrophobicContact CD2-CB 3.83Å; L45-L66 HydrophobicContact CD2-CD2 4.11Å; L45-L66 HydrophobicContact CD2-CG 4.46Å; L45-L66 HydrophobicContact CG-CB 4.2Å; L45-L66 HydrophobicContact CG-CD2 4.49Å; L45-D68 HydrophobicContact CB-CB 4.05Å; L45-D68 PolarHBondContact N-OD2 3.27Å; L45-Q80 WeakPolarHBondContact O-CG 3.25Å; L45-Q80 PolarHBondContact O-NE2 2.72Å; L45-R92 HydrophobicContact CB-CB 4.45Å
46R96.7Very high98.3Very high68 Ų6818.5 Ų18.526%0.2579%0.093SC..SBendtrans-74.7-161.5166.5-61.2177.271.5-169.5-6.6110.7L48 G49 A50 Q80 D259 E301R46-L48 PolarHBondContact O-N 2.92Å; R46-G49 PolarHBondContact O-N 3.44Å; R46-A50 PolarHBondContact O-N 2.82Å; R46-Q80 WeakPolarHBondContact O-CG 3.45Å; R46-D259 IonicContact NH1-OD2 3.27Å; R46-D259 PolarHBondContact NH1-OD2 3.05Å; R46-E301 VanDerWaalsContact CB-OE1 3.23Å; R46-E301 WeakPolarHBondContact CB-OE1 3.3Å; R46-E301 VanDerWaalsContact CD-OE1 3.27Å; R46-E301 WeakPolarHBondContact CD-OE1 3.41Å; R46-E301 IonicContact CZ-OE1 3.49Å; R46-E301 IonicContact NE-OE1 2.71Å; R46-E301 PolarHBondContact NE-OE1 3.35Å; R46-E301 IonicContact NH1-OE1 3.96Å; R46-E301 IonicContact NH2-OE1 3.95Å; R46-E301 PolarHBondContact NH2-OE1 2.8Å
47G98Very high98.5Very high10 Ų1016.1 Ų16.110%0.1038%0.084CC..Hα-helixtrans-61.5-46.6-175.700000112.6A50 E51 E301G47-A50 PolarHBondContact O-N 3.06Å; G47-E51 PolarHBondContact O-N 3.25Å; G47-E301 VanDerWaalsContact CA-OE2 3.28Å; G47-E301 WeakPolarHBondContact CA-OE2 3.41Å; G47-E301 PolarHBondContact N-OE2 2.77Å
48L98.6Very high98.6Very high3 Ų318.1 Ų18.12%0.0169%0.087CC..Hα-helixtrans-61.7-47.5176.417762.1000111.9R46 A50 E51 V52 T133 G157 V159 E301 V309 G310R46-L48 PolarHBondContact O-N 2.92Å; L48-A50 VanDerWaalsContact C-N 3.29Å; L48-A50 PolarHBondContact O-N 3.27Å; L48-E51 PolarHBondContact O-N 2.88Å; L48-V52 HydrophobicContact CD1-CG2 4.16Å; L48-V52 HydrophobicContact CG-CG2 4.41Å; L48-V52 WeakPolarHBondContact O-CG2 3.34Å; L48-V52 PolarHBondContact O-N 2.86Å; L48-T133 HydrophobicContact CD2-CG2 3.99Å; L48-T133 HydrophobicContact CG-CG2 4.25Å; L48-G157 VanDerWaalsContact CD2-C 3.44Å; L48-G157 WeakPolarHBondContact CD2-O 3.5Å; L48-V159 HydrophobicContact CB-CG2 4.32Å; L48-V159 HydrophobicContact CD1-CG2 4.4Å; L48-V159 HydrophobicContact CD2-CG2 4.41Å; L48-E301 PolarHBondContact N-OE2 3.44Å; L48-V309 HydrophobicContact CD1-CB 4.01Å; L48-V309 HydrophobicContact CD1-CG1 3.86Å; L48-V309 HydrophobicContact CD2-CG1 4.39Å; L48-G310 VanDerWaalsContact CD1-CA 3.49Å; L48-G310 VanDerWaalsContact CD1-N 3.34Å
49G98.8Very high98.6Very high0 Ų017.9 Ų17.90%09%0.087CC..Hα-helixtrans-57-42.4178.200000112.3L42 G44 R46 E51 V52 A53L42-G49 VanDerWaalsContact CD2-O 3.31Å; L42-G49 WeakPolarHBondContact CD2-O 3.43Å; G44-G49 WeakPolarHBondContact O-CA 3.3Å; R46-G49 PolarHBondContact O-N 3.44Å; G49-E51 PolarHBondContact O-N 2.96Å; G49-V52 PolarHBondContact O-N 3.19Å; G49-A53 WeakPolarHBondContact O-CB 3.4Å; G49-A53 PolarHBondContact O-N 2.96Å
50A98.8Very high98.5Very high0 Ų014 Ų140%07%0.072CC..Hα-helixtrans-61-42.417700000113.1R46 G47 L48 A53 K54 Q80 F81 L82R46-A50 PolarHBondContact O-N 2.82Å; G47-A50 PolarHBondContact O-N 3.06Å; L48-A50 VanDerWaalsContact C-N 3.29Å; L48-A50 PolarHBondContact O-N 3.27Å; A50-A53 PolarHBondContact O-N 3.44Å; A50-K54 WeakPolarHBondContact O-CB 3.35Å; A50-K54 PolarHBondContact O-N 3.28Å; A50-Q80 VanDerWaalsContact CB-CD 3.46Å; A50-Q80 HydrophobicContact CB-CG 3.74Å; A50-F81 HydrophobicContact CB-CD1 4.33Å; A50-F81 HydrophobicContact CB-CE1 3.84Å; A50-F81 HydrophobicContact CB-CZ 4.1Å; A50-F81 WeakPolarHBondContact O-CZ 3.49Å; A50-L82 HydrophobicContact CB-CD1 3.99Å; A50-L82 HydrophobicContact CB-CG 4.25Å
51E98.9Very high98.5Very high29 Ų2914 Ų1414%0.1367%0.072CC..Hα-helixtrans-65-45.2177.3-74.7-70.417400111.8G47 L48 G49 K54 N55 F81 C306G47-E51 PolarHBondContact O-N 3.25Å; L48-E51 PolarHBondContact O-N 2.88Å; G49-E51 PolarHBondContact O-N 2.96Å; E51-K54 PolarHBondContact O-N 3.05Å; E51-K54 IonicContact OE2-NZ 2.79Å; E51-K54 PolarHBondContact OE2-NZ 2.77Å; E51-N55 VanDerWaalsContact O-CG 3.24Å; E51-N55 PolarHBondContact O-N 3.13Å; E51-N55 PolarHBondContact O-ND2 2.86Å; E51-N55 VanDerWaalsContact O-ND2 3.12Å; E51-F81 HydrophobicContact CG-CE1 4.13Å; E51-C306 HydrophobicContact CG-CB 4.3Å
52V98.9Very high98.5Very high0 Ų018.3 Ų18.30%09%0.091CC..Hα-helixtrans-61-47.2175.2176.30000110.5L42 L48 G49 K54 N55 L56 L313L42-V52 HydrophobicContact CD1-CB 4.33Å; L42-V52 HydrophobicContact CD1-CG1 3.98Å; L42-V52 HydrophobicContact CD2-CB 4.34Å; L42-V52 HydrophobicContact CD2-CG1 4.28Å; L48-V52 HydrophobicContact CD1-CG2 4.16Å; L48-V52 HydrophobicContact CG-CG2 4.41Å; L48-V52 WeakPolarHBondContact O-CG2 3.34Å; L48-V52 PolarHBondContact O-N 2.86Å; G49-V52 PolarHBondContact O-N 3.19Å; V52-K54 PolarHBondContact O-N 3.35Å; V52-N55 PolarHBondContact O-N 2.88Å; V52-L56 HydrophobicContact CG1-CD1 3.87Å; V52-L56 HydrophobicContact CG1-CG 4.31Å; V52-L56 WeakPolarHBondContact O-CG 3.38Å; V52-L56 PolarHBondContact O-N 3.06Å; V52-L313 HydrophobicContact CB-CD2 4.48Å; V52-L313 HydrophobicContact CG1-CD2 3.77Å; V52-L313 HydrophobicContact CG2-CB 4.28Å; V52-L313 HydrophobicContact CG2-CD1 4.36Å; V52-L313 HydrophobicContact CG2-CD2 3.78Å; V52-L313 HydrophobicContact CG2-CG 4.36Å
53A98.9Very high98.5Very high0 Ų018.4 Ų18.40%09%0.092CC..Hα-helixtrans-57.1-51178.300000111.4L42 G49 A50 N55 L56 I57 L64 L66 L82L42-A53 HydrophobicContact CD2-CB 3.7Å; G49-A53 WeakPolarHBondContact O-CB 3.4Å; G49-A53 PolarHBondContact O-N 2.96Å; A50-A53 PolarHBondContact O-N 3.44Å; A53-N55 VanDerWaalsContact C-N 3.33Å; A53-N55 PolarHBondContact O-N 3.43Å; A53-L56 PolarHBondContact O-N 3.41Å; A53-I57 HydrophobicContact CB-CD1 4.4Å; A53-I57 WeakPolarHBondContact O-CB 3.35Å; A53-I57 WeakPolarHBondContact O-CD1 3.1Å; A53-I57 WeakPolarHBondContact O-CG1 3.27Å; A53-I57 PolarHBondContact O-N 3.15Å; A53-L64 HydrophobicContact CB-CD2 3.82Å; A53-L66 HydrophobicContact CB-CD2 3.99Å; A53-L82 HydrophobicContact CB-CD1 4.2Å
54K98.9Very high98.5Very high51 Ų5118.2 Ų18.222%0.2229%0.09CC..Hα-helixtrans-56.3-46.6177.9177.2-141.769.4-170.50111.4A50 E51 V52 L58 F81 L103A50-K54 WeakPolarHBondContact O-CB 3.35Å; A50-K54 PolarHBondContact O-N 3.28Å; E51-K54 PolarHBondContact O-N 3.05Å; E51-K54 IonicContact OE2-NZ 2.79Å; E51-K54 PolarHBondContact OE2-NZ 2.77Å; V52-K54 PolarHBondContact O-N 3.35Å; K54-L58 HydrophobicContact CD-CD1 4.39Å; K54-L58 HydrophobicContact CG-CD1 3.88Å; K54-L58 WeakPolarHBondContact O-CB 2.98Å; K54-L58 VanDerWaalsContact O-CG 3.26Å; K54-L58 WeakPolarHBondContact O-CG 3.37Å; K54-L58 PolarHBondContact O-N 3.1Å; K54-F81 HydrophobicContact CB-CE2 4.07Å; K54-F81 HydrophobicContact CB-CZ 3.71Å; K54-F81 HydrophobicContact CD-CE2 4.34Å; K54-F81 HydrophobicContact CD-CZ 3.95Å; K54-F81 HydrophobicContact CG-CE2 4.24Å; K54-F81 HydrophobicContact CG-CZ 4.12Å; K54-L103 HydrophobicContact CB-CD1 3.89Å; K54-L103 HydrophobicContact CG-CD1 3.79Å
55N98.9Very high98.5Very high39 Ų3918.7 Ų18.721%0.2099%0.091CC..Hα-helixtrans-63-43.6179.8-68.9-29.9000111.9E51 V52 A53 A59 G310 G311E51-N55 VanDerWaalsContact O-CG 3.24Å; E51-N55 PolarHBondContact O-N 3.13Å; E51-N55 PolarHBondContact O-ND2 2.86Å; E51-N55 VanDerWaalsContact O-ND2 3.12Å; V52-N55 PolarHBondContact O-N 2.88Å; A53-N55 VanDerWaalsContact C-N 3.33Å; A53-N55 PolarHBondContact O-N 3.43Å; N55-A59 VanDerWaalsContact O-CB 3.25Å; N55-A59 WeakPolarHBondContact O-CB 3.2Å; N55-A59 PolarHBondContact O-N 3.5Å; N55-G310 PolarHBondContact ND2-O 3.48Å; N55-G311 WeakPolarHBondContact ND2-CA 3.28Å; N55-G311 PolarHBondContact ND2-N 2.91Å
56L98.9Very high98.6Very high0 Ų018.7 Ų18.70%09%0.091CC..Hα-helixtrans-70-39.1179.9-64.8178.1000113.1V40 V52 A53 A59 G60 V61 L64 V317 V318V40-L56 HydrophobicContact CB-CD1 4.41Å; V40-L56 HydrophobicContact CG1-CD1 3.89Å; V52-L56 HydrophobicContact CG1-CD1 3.87Å; V52-L56 HydrophobicContact CG1-CG 4.31Å; V52-L56 WeakPolarHBondContact O-CG 3.38Å; V52-L56 PolarHBondContact O-N 3.06Å; A53-L56 PolarHBondContact O-N 3.41Å; L56-A59 PolarHBondContact O-N 2.98Å; L56-G60 PolarHBondContact O-N 3.47Å; L56-V61 HydrophobicContact CB-CG1 4.46Å; L56-L64 HydrophobicContact CD1-CD1 4.05Å; L56-V317 HydrophobicContact CD1-CG1 4.33Å; L56-V317 HydrophobicContact CD2-CB 3.85Å; L56-V317 HydrophobicContact CD2-CG1 3.55Å; L56-V318 HydrophobicContact CD2-CG2 4.23Å
57I98.9Very high98.7Very high0 Ų015.5 Ų15.50%08%0.079CC..Hα-helixtrans-65.3-45.9177-66.7162.8000110.1A53 A59 G60 L64 A100 L103 N104 V107 V109A53-I57 HydrophobicContact CB-CD1 4.4Å; A53-I57 WeakPolarHBondContact O-CB 3.35Å; A53-I57 WeakPolarHBondContact O-CD1 3.1Å; A53-I57 WeakPolarHBondContact O-CG1 3.27Å; A53-I57 PolarHBondContact O-N 3.15Å; I57-A59 VanDerWaalsContact C-N 3.29Å; I57-A59 PolarHBondContact O-N 3.41Å; I57-G60 PolarHBondContact O-N 3.5Å; I57-G60 VanDerWaalsContact O-N 3.15Å; I57-L64 HydrophobicContact CD1-CD2 3.88Å; I57-L64 HydrophobicContact CG1-CD2 3.71Å; I57-A100 HydrophobicContact CD1-CB 3.8Å; I57-L103 HydrophobicContact CD1-CD1 4.42Å; I57-L103 HydrophobicContact CG2-CB 3.72Å; I57-N104 HydrophobicContact CG2-CB 3.5Å; I57-N104 VanDerWaalsContact CG2-CB 3.5Å; I57-N104 WeakPolarHBondContact O-CB 3.28Å; I57-N104 PolarHBondContact O-ND2 3.21Å; I57-V107 HydrophobicContact CG1-CG1 4.48Å; I57-V107 HydrophobicContact CG2-CB 4.33Å; I57-V107 HydrophobicContact CG2-CG2 4.39Å; I57-V107 WeakPolarHBondContact O-CG2 3.49Å; I57-V109 HydrophobicContact CD1-CG2 3.95Å; I57-V109 HydrophobicContact CG1-CG2 4.09Å
58L98.6Very high98.7Very high72 Ų7215.4 Ų15.438%0.3778%0.076SC..Hα-helixtrans-69.3-26.3177.9-69.1175.4000113.2Q23 K54 G60 L103Q23-L58 PolarHBondContact NE2-O 2.85Å; Q23-L58 VanDerWaalsContact NE2-O 3.1Å; K54-L58 HydrophobicContact CD-CD1 4.39Å; K54-L58 HydrophobicContact CG-CD1 3.88Å; K54-L58 WeakPolarHBondContact O-CB 2.98Å; K54-L58 VanDerWaalsContact O-CG 3.26Å; K54-L58 WeakPolarHBondContact O-CG 3.37Å; K54-L58 PolarHBondContact O-N 3.1Å; L58-G60 VanDerWaalsContact C-N 3.27Å; L58-L103 HydrophobicContact CD2-CB 4.19Å; L58-L103 WeakPolarHBondContact CD2-O 3.36Å
59A98.1Very high98.7Very high6 Ų618.3 Ų18.35%0.059%0.09CC..Hα-helixtrans-72.6-21.3173.500000112.7Q32 L35 N55 L56 I57 V318Q32-A59 PolarHBondContact NE2-O 2.95Å; L35-A59 HydrophobicContact CD2-CB 3.83Å; L35-A59 WeakPolarHBondContact CD2-O 3.48Å; N55-A59 VanDerWaalsContact O-CB 3.25Å; N55-A59 WeakPolarHBondContact O-CB 3.2Å; N55-A59 PolarHBondContact O-N 3.5Å; L56-A59 PolarHBondContact O-N 2.98Å; I57-A59 VanDerWaalsContact C-N 3.29Å; I57-A59 PolarHBondContact O-N 3.41Å; A59-V318 HydrophobicContact CB-CG2 3.78Å
60G97.7Very high98.6Very high0 Ų022.2 Ų22.20%011%0.108CC..THydrogen-bonded Turntrans87.442.4173.500000114.6Y20 R36 L56 I57 L58Y20-G60 WeakPolarHBondContact OH-CA 3.47Å; R36-G60 WeakPolarHBondContact CA-O 3.41Å; R36-G60 WeakPolarHBondContact CD-O 3.49Å; L56-G60 PolarHBondContact O-N 3.47Å; I57-G60 PolarHBondContact O-N 3.5Å; I57-G60 VanDerWaalsContact O-N 3.15Å; L58-G60 VanDerWaalsContact C-N 3.27Å
61V98.4Very high98.6Very high0 Ų028.3 Ų28.30%014%0.137CC..  trans-58.2162.4168.5-63.60000111.7L35 V40 L56 G63 L64 V107 L321L35-V61 HydrophobicContact CD1-CG1 3.69Å; L35-V61 HydrophobicContact CG-CG1 4.11Å; L35-V61 WeakPolarHBondContact O-CA 3.46Å; V40-V61 HydrophobicContact CG2-CG1 4.23Å; L56-V61 HydrophobicContact CB-CG1 4.46Å; V61-G63 VanDerWaalsContact C-N 3.33Å; V61-G63 PolarHBondContact O-N 2.7Å; V61-L64 HydrophobicContact CG2-CB 4.44Å; V61-V107 HydrophobicContact CG2-CG1 3.79Å; V61-V107 WeakPolarHBondContact O-CG2 3.49Å; V61-L321 HydrophobicContact CG1-CD1 4.44Å
62K98.3Very high98.5Very high91 Ų9127.2 Ų27.240%0.39613%0.132SC..SBendtrans-58.2-48.5174.4-169.9170.2175.6170.40111.4L35 R36 S38 R39 E108L35-K62 PolarHBondContact O-N 3.25Å; R36-K62 VanDerWaalsContact O-CA 3.29Å; R36-K62 WeakPolarHBondContact O-CA 3.32Å; R36-K62 WeakPolarHBondContact O-CB 3.37Å; S38-K62 WeakPolarHBondContact O-CA 3.36Å; S38-K62 WeakPolarHBondContact O-CB 3.19Å; S38-K62 PolarHBondContact O-N 3.38Å; R39-K62 HydrophobicContact CG-CB 4.11Å; R39-K62 HydrophobicContact CG-CD 4.23Å; R39-K62 HydrophobicContact CG-CG 4.31Å; K62-E108 PolarHBondContact O-N 3.22Å
63G98.7Very high98.2Very high2 Ų230 Ų302%0.02115%0.149CC..EExtended strand (participates in β ladder)trans-165.8154.2179.900000112.1R39 V40 V61 E108R39-G63 WeakPolarHBondContact CA-O 3.23Å; V40-G63 PolarHBondContact N-O 3.05Å; V61-G63 VanDerWaalsContact C-N 3.33Å; V61-G63 PolarHBondContact O-N 2.7Å; G63-E108 CarbonylContact C-O 3.48Å; G63-E108 WeakPolarHBondContact CA-O 3.26Å
64L98.9Very high97.8Very high1 Ų135 Ų351%0.00517%0.172CC..EExtended strand (participates in β ladder)trans-127.5121.5-179.5-178.666.2000109.1V40 L42 A53 L56 I57 V61 L66 E108 V109 K110V40-L64 HydrophobicContact CB-CD1 3.85Å; V40-L64 HydrophobicContact CG1-CD1 4.04Å; V40-L64 WeakPolarHBondContact O-CA 3.3Å; L42-L64 HydrophobicContact CB-CD1 3.95Å; A53-L64 HydrophobicContact CB-CD2 3.82Å; L56-L64 HydrophobicContact CD1-CD1 4.05Å; I57-L64 HydrophobicContact CD1-CD2 3.88Å; I57-L64 HydrophobicContact CG1-CD2 3.71Å; V61-L64 HydrophobicContact CG2-CB 4.44Å; L64-L66 HydrophobicContact CD2-CD2 3.63Å; L64-L66 HydrophobicContact CG-CD2 3.83Å; L64-E108 PolarHBondContact N-O 3.03Å; L64-V109 WeakPolarHBondContact O-CA 3.41Å; L64-K110 PolarHBondContact O-N 3.38Å
65T98.9Very high97.3Very high21 Ų2136.3 Ų36.313%0.12918%0.179CC..EExtended strand (participates in β ladder)trans-97.7116.7171.1-59.10000109.3V40 L41 L42 K110 D112 F127V40-T65 PolarHBondContact O-N 2.93Å; L41-T65 HydrophobicContact CD1-CG2 4.01Å; L42-T65 PolarHBondContact N-O 3.15Å; T65-K110 HydrophobicContact CG2-CB 4.46Å; T65-D112 HydrophobicContact CG2-CB 4.11Å; T65-F127 HydrophobicContact CG2-CZ 4.34Å; T65-F127 WeakPolarHBondContact OG1-CE1 2.94Å
66L98.9Very high96.8Very high0 Ų035.1 Ų35.10%017%0.174CC..EExtended strand (participates in β ladder)trans-86.6111.9173.2-52.6-176.9000108L42 L45 A53 L64 A93 A100 V109 K110 A111 D112L42-L66 HydrophobicContact CD2-CD2 4.17Å; L45-L66 HydrophobicContact CD1-CD1 4.38Å; L45-L66 HydrophobicContact CD1-CD2 4.2Å; L45-L66 HydrophobicContact CD2-CB 3.83Å; L45-L66 HydrophobicContact CD2-CD2 4.11Å; L45-L66 HydrophobicContact CD2-CG 4.46Å; L45-L66 HydrophobicContact CG-CB 4.2Å; L45-L66 HydrophobicContact CG-CD2 4.49Å; A53-L66 HydrophobicContact CB-CD2 3.99Å; L64-L66 HydrophobicContact CD2-CD2 3.63Å; L64-L66 HydrophobicContact CG-CD2 3.83Å; L66-A93 HydrophobicContact CB-CB 4.15Å; L66-A93 WeakPolarHBondContact O-CB 3.29Å; L66-A100 HydrophobicContact CD1-CB 4.16Å; L66-V109 HydrophobicContact CD1-CG1 3.91Å; L66-V109 HydrophobicContact CG-CG1 4.03Å; L66-K110 WeakPolarHBondContact CB-O 3.4Å; L66-K110 PolarHBondContact N-O 2.81Å; L66-A111 CarbonylContact O-C 3.57Å; L66-A111 WeakPolarHBondContact O-CA 3.34Å; L66-D112 PolarHBondContact O-N 3.38Å
67L98.9Very high96.3Very high1 Ų135.9 Ų35.91%0.00518%0.179CC..EExtended strand (participates in β ladder)trans-112.4113.2178.5-169.9167000109.6L41 L42 V43 G44 D112 D114 V116 K119 F123L41-L67 HydrophobicContact CD1-CB 3.91Å; L41-L67 HydrophobicContact CD1-CD1 4.17Å; L42-L67 PolarHBondContact O-N 2.89Å; V43-L67 CarbonylContact C-O 3.59Å; V43-L67 WeakPolarHBondContact CA-O 3.39Å; V43-L67 HydrophobicContact CG1-CD2 4.26Å; V43-L67 HydrophobicContact CG2-CB 4.33Å; G44-L67 PolarHBondContact N-O 2.87Å; L67-D112 WeakPolarHBondContact CA-O 3.43Å; L67-D112 HydrophobicContact CB-CB 4.26Å; L67-D112 HydrophobicContact CG-CB 4.14Å; L67-D114 VanDerWaalsContact CD2-O 3.25Å; L67-D114 WeakPolarHBondContact CD2-O 3.17Å; L67-V116 HydrophobicContact CD1-CB 4.48Å; L67-V116 HydrophobicContact CD2-CB 3.82Å; L67-K119 HydrophobicContact CD1-CG 4.12Å; L67-F123 HydrophobicContact CD1-CE1 3.7Å; L67-F123 HydrophobicContact CD1-CZ 3.8Å
68D98.8Very high95.8Very high7 Ų745.2 Ų45.24%0.03721%0.214CC..  trans-150.9128.4174-164.1-31.6000108.7L45 E70 N91 R92 A93 D112L45-D68 HydrophobicContact CB-CB 4.05Å; L45-D68 PolarHBondContact N-OD2 3.27Å; D68-E70 WeakPolarHBondContact OD1-CB 2.95Å; D68-E70 PolarHBondContact OD1-N 3.39Å; D68-N91 PolarHBondContact O-ND2 2.84Å; D68-N91 PolarHBondContact O-OD1 3.15Å; D68-R92 HydrophobicContact CB-CB 4.25Å; D68-A93 HydrophobicContact CB-CB 3.98Å; D68-D112 PolarHBondContact N-O 3Å; D68-D112 VanDerWaalsContact N-O 3.11Å
69H98.3Very high95.3Very high64 Ų6444.1 Ų44.130%0.29622%0.215SC..  trans-92.5-14-179.771.7-72.1000113T113 R115H69-T113 WeakPolarHBondContact CA-O 3.38Å; H69-R115 HydrophobicContact CB-CB 4.42Å; H69-R115 HydrophobicContact CB-CG 3.79Å
70E97.6Very high95.1Very high82 Ų8244.1 Ų44.138%0.38321%0.214SC..SBendtrans-79157-175.1-66.1-171.9-157.600112.1D68 N91 R92D68-E70 WeakPolarHBondContact OD1-CB 2.95Å; D68-E70 PolarHBondContact OD1-N 3.39Å; E70-N91 PolarHBondContact O-ND2 2.88Å; E70-R92 WeakPolarHBondContact O-CG 3.08Å; E70-R92 PolarHBondContact O-N 2.92Å; E70-R92 IonicContact OE2-CZ 2.97Å; E70-R92 IonicContact OE2-NH1 3.15Å; E70-R92 PolarHBondContact OE2-NH1 2.8Å; E70-R92 IonicContact OE2-NH2 3.37Å; E70-R92 PolarHBondContact OE2-NH2 3.37Å
71Q97.9Very high95.1Very high129 Ų12948.1 Ų48.160%0.60323%0.232SC*.BIsolated β-bridgetrans-88.4154.8174.3-66.1-179.2-2.400111.2T73 Q90 R92Q71-T73 PolarHBondContact O-N 3.45Å; Q71-Q90 CarbonylContact C-O 3.58Å; Q71-Q90 VanDerWaalsContact CA-O 3.3Å; Q71-Q90 WeakPolarHBondContact CA-O 3.44Å; Q71-R92 PolarHBondContact O-NE 3.33Å; Q71-R92 PolarHBondContact O-NH2 3.47Å
72V97.3Very high95.1Very high5 Ų548.2 Ų48.23%0.0323%0.232CC..PPolyproline II helixtrans-66.3118.7173.1175.50000109.2C77 I83 A87 G89 Q90 R92 A95V72-C77 WeakPolarHBondContact CG1-SG 3Å; V72-I83 HydrophobicContact CG1-CG2 3.74Å; V72-I83 HydrophobicContact CG2-CD1 4.06Å; V72-I83 HydrophobicContact CG2-CG2 3.91Å; V72-A87 WeakPolarHBondContact CB-O 3.39Å; V72-G89 PolarHBondContact O-N 2.92Å; V72-G89 VanDerWaalsContact O-N 3.15Å; V72-Q90 WeakPolarHBondContact CG2-O 3.36Å; V72-Q90 PolarHBondContact N-O 2.76Å; V72-R92 HydrophobicContact CG2-CG 3.99Å; V72-A95 HydrophobicContact CG2-CB 3.75Å
73T93.1Very high95.1Very high59 Ų5944 Ų4436%0.36221%0.214SC..PPolyproline II helixtrans-90.7169.4170.864.40000110.7Q71 E75 S76 C77Q71-T73 PolarHBondContact O-N 3.45Å; T73-E75 VanDerWaalsContact C-N 3.28Å; T73-E75 PolarHBondContact O-N 2.79Å; T73-S76 PolarHBondContact N-OG 2.72Å; T73-S76 VanDerWaalsContact O-CB 3.31Å; T73-S76 WeakPolarHBondContact O-CB 3.13Å; T73-S76 PolarHBondContact O-N 2.59Å; T73-S76 VanDerWaalsContact O-N 3.14Å; T73-S76 PolarHBondContact OG1-N 2.81Å; T73-S76 VanDerWaalsContact OG1-N 3.16Å; T73-S76 PolarHBondContact OG1-OG 2.71Å; T73-C77 PolarHBondContact O-N 2.65Å
74E90.4Very high94.9Very high104 Ų10445 Ų4549%0.48622%0.22SC..Hα-helixtrans-59.6-39.9173.5-173.8179.8171.300112S76 C77 R78E74-S76 VanDerWaalsContact C-N 3.32Å; E74-S76 PolarHBondContact O-N 3.39Å; E74-C77 PolarHBondContact O-N 2.98Å; E74-R78 IonicContact OE1-CZ 3.16Å; E74-R78 VanDerWaalsContact OE1-CZ 3.25Å; E74-R78 IonicContact OE1-NH1 2.73Å; E74-R78 PolarHBondContact OE1-NH1 2.96Å; E74-R78 IonicContact OE1-NH2 2.68Å; E74-R78 PolarHBondContact OE1-NH2 3.2Å
75E87.8Confident94.6Very high80 Ų8050 Ų5037%0.37425%0.251SS..Hα-helixtrans-60.3-42.9174.1-174.2-175.7-173.200111.2T73 C77 R78 A79T73-E75 VanDerWaalsContact C-N 3.28Å; T73-E75 PolarHBondContact O-N 2.79Å; E75-C77 VanDerWaalsContact C-N 3.29Å; E75-C77 PolarHBondContact O-N 2.9Å; E75-R78 PolarHBondContact O-N 2.62Å; E75-A79 HydrophobicContact CG-CB 4.49Å; E75-A79 WeakPolarHBondContact O-CB 3.26Å; E75-A79 PolarHBondContact O-N 2.72Å
76S87.5Confident94.4Very high14 Ų1454.8 Ų54.810%0.09828%0.28CS..Hα-helixtrans-56.5-43.4178.7-55.70000111.7T73 E74 R78 A79 Q80 R92T73-S76 PolarHBondContact N-OG 2.72Å; T73-S76 VanDerWaalsContact O-CB 3.31Å; T73-S76 WeakPolarHBondContact O-CB 3.13Å; T73-S76 PolarHBondContact O-N 2.59Å; T73-S76 VanDerWaalsContact O-N 3.14Å; T73-S76 PolarHBondContact OG1-N 2.81Å; T73-S76 VanDerWaalsContact OG1-N 3.16Å; T73-S76 PolarHBondContact OG1-OG 2.71Å; E74-S76 VanDerWaalsContact C-N 3.32Å; E74-S76 PolarHBondContact O-N 3.39Å; S76-R78 PolarHBondContact O-N 2.68Å; S76-A79 PolarHBondContact O-N 3.14Å; S76-Q80 VanDerWaalsContact O-CB 3.25Å; S76-Q80 WeakPolarHBondContact O-CB 3.44Å; S76-Q80 PolarHBondContact O-N 3.43Å; S76-R92 PolarHBondContact OG-NE 2.87Å
77C88.4Confident94.2Very high15 Ų1554.9 Ų54.910%0.10128%0.281CS..Hα-helixtrans-62.7-20.8178.3-72.80000114.1V72 T73 E74 E75V72-C77 WeakPolarHBondContact CG1-SG 3Å; T73-C77 PolarHBondContact O-N 2.65Å; E74-C77 PolarHBondContact O-N 2.98Å; E75-C77 VanDerWaalsContact C-N 3.29Å; E75-C77 PolarHBondContact O-N 2.9Å
78R88.2Confident94Very high197 Ų19760.9 Ų60.974%0.74331%0.309SS*.Hα-helixtrans-104.4-28.1-178-64.2-175.8179.7154.110.9113.1E74 E75 S76E74-R78 IonicContact OE1-CZ 3.16Å; E74-R78 VanDerWaalsContact OE1-CZ 3.25Å; E74-R78 IonicContact OE1-NH1 2.73Å; E74-R78 PolarHBondContact OE1-NH1 2.96Å; E74-R78 IonicContact OE1-NH2 2.68Å; E74-R78 PolarHBondContact OE1-NH2 3.2Å; E75-R78 PolarHBondContact O-N 2.62Å; S76-R78 PolarHBondContact O-N 2.68Å
79A88.4Confident93.7Very high49 Ų4962.6 Ų62.641%0.40533%0.328SS..Hα-helixtrans-101.3-13.8-173.900000113.8E75 S76E75-A79 HydrophobicContact CG-CB 4.49Å; E75-A79 WeakPolarHBondContact O-CB 3.26Å; E75-A79 PolarHBondContact O-N 2.72Å; S76-A79 PolarHBondContact O-N 3.14Å
80Q95.3Very high93.7Very high5 Ų564.3 Ų64.32%0.02334%0.336CS..  trans-123.4112-173.7-151.3-82.130.600110.3L45 R46 A50 S76 L82 I83 S96L45-Q80 WeakPolarHBondContact O-CG 3.25Å; L45-Q80 PolarHBondContact O-NE2 2.72Å; R46-Q80 WeakPolarHBondContact O-CG 3.45Å; A50-Q80 VanDerWaalsContact CB-CD 3.46Å; A50-Q80 HydrophobicContact CB-CG 3.74Å; S76-Q80 VanDerWaalsContact O-CB 3.25Å; S76-Q80 WeakPolarHBondContact O-CB 3.44Å; S76-Q80 PolarHBondContact O-N 3.43Å; Q80-L82 PolarHBondContact O-N 2.95Å; Q80-L82 VanDerWaalsContact OE1-CA 3.28Å; Q80-L82 VanDerWaalsContact OE1-CB 3.25Å; Q80-I83 HydrophobicContact CB-CD1 3.99Å; Q80-I83 HydrophobicContact CB-CG1 4.46Å; Q80-I83 HydrophobicContact CG-CD1 4.05Å; Q80-I83 HydrophobicContact CG-CG1 4.49Å; Q80-I83 PolarHBondContact O-N 3.42Å; Q80-S96 PolarHBondContact NE2-OG 2.87Å
81F97.4Very high93.7Very high84 Ų8461.7 Ų61.737%0.36833%0.325SS..THydrogen-bonded Turntrans-76.1-18.1-167.963.9-96.8000115.5A50 E51 K54 I83 R99A50-F81 HydrophobicContact CB-CD1 4.33Å; A50-F81 HydrophobicContact CB-CE1 3.84Å; A50-F81 HydrophobicContact CB-CZ 4.1Å; A50-F81 WeakPolarHBondContact O-CZ 3.49Å; E51-F81 HydrophobicContact CG-CE1 4.13Å; K54-F81 HydrophobicContact CB-CE2 4.07Å; K54-F81 HydrophobicContact CB-CZ 3.71Å; K54-F81 HydrophobicContact CD-CE2 4.34Å; K54-F81 HydrophobicContact CD-CZ 3.95Å; K54-F81 HydrophobicContact CG-CE2 4.24Å; K54-F81 HydrophobicContact CG-CZ 4.12Å; F81-I83 VanDerWaalsContact C-N 3.34Å; F81-R99 PolarHBondContact O-NH1 2.89Å
82L98.3Very high93.8Very high3 Ų356.3 Ų56.32%0.01630%0.299CS..THydrogen-bonded Turntrans-78-21.2174.4-59.2174.2000112.2A50 A53 Q80 P84 R99 A100 L103A50-L82 HydrophobicContact CB-CD1 3.99Å; A50-L82 HydrophobicContact CB-CG 4.25Å; A53-L82 HydrophobicContact CB-CD1 4.2Å; Q80-L82 PolarHBondContact O-N 2.95Å; Q80-L82 VanDerWaalsContact OE1-CA 3.28Å; Q80-L82 VanDerWaalsContact OE1-CB 3.25Å; L82-P84 WeakPolarHBondContact O-CD 2.89Å; L82-R99 HydrophobicContact CD2-CB 4.21Å; L82-R99 WeakPolarHBondContact O-CB 3.22Å; L82-R99 WeakPolarHBondContact O-CD 3.43Å; L82-A100 HydrophobicContact CD1-CB 4.3Å; L82-A100 HydrophobicContact CD2-CB 4.33Å; L82-L103 HydrophobicContact CD2-CD1 4.15Å
83I97.8Very high93.8Very high2 Ų256.1 Ų56.11%0.0130%0.298CS..SBendtrans-86.6125.7179.8-64.6170.1000110V72 Q80 F81 A87 R92 A95 S96 R99V72-I83 HydrophobicContact CG1-CG2 3.74Å; V72-I83 HydrophobicContact CG2-CD1 4.06Å; V72-I83 HydrophobicContact CG2-CG2 3.91Å; Q80-I83 HydrophobicContact CB-CD1 3.99Å; Q80-I83 HydrophobicContact CB-CG1 4.46Å; Q80-I83 HydrophobicContact CG-CD1 4.05Å; Q80-I83 HydrophobicContact CG-CG1 4.49Å; Q80-I83 PolarHBondContact O-N 3.42Å; F81-I83 VanDerWaalsContact C-N 3.34Å; I83-A87 HydrophobicContact CG2-CB 4.06Å; I83-R92 HydrophobicContact CD1-CB 4.44Å; I83-R92 HydrophobicContact CD1-CG 4.33Å; I83-A95 HydrophobicContact CG1-CB 4.38Å; I83-A95 HydrophobicContact CG2-CB 4.26Å; I83-S96 WeakPolarHBondContact CG1-OG 3.49Å; I83-R99 PolarHBondContact O-NH1 3.24Å
84P94.9Very high94.1Very high23 Ų2357.8 Ų57.815%0.14930%0.301CS..  trans-66.1143.7169.8-19.731.9000111.6L82 T86 A87 A95L82-P84 WeakPolarHBondContact O-CD 2.89Å; P84-T86 PolarHBondContact O-N 3.24Å; P84-A87 HydrophobicContact CB-CB 4.35Å; P84-A87 HydrophobicContact CG-CB 4.49Å; P84-A87 VanDerWaalsContact O-CB 3.3Å; P84-A87 WeakPolarHBondContact O-CB 3.37Å; P84-A87 PolarHBondContact O-N 3Å; P84-A95 WeakPolarHBondContact CD-O 3.38Å
85V93.4Very high94.5Very high106 Ų10653.1 Ų53.164%0.64228%0.281SS*.THydrogen-bonded Turntrans-59.4-21.3178.1-61.30000113.6
86T93.8Very high95Very high122 Ų12249.3 Ų49.375%0.74826%0.263SS*.THydrogen-bonded Turntrans-87.8-1.5178.953.20000113.8P84 Q88P84-T86 PolarHBondContact O-N 3.24Å; T86-Q88 VanDerWaalsContact C-N 3.33Å; T86-Q88 PolarHBondContact O-N 3.44Å
87A94.6Very high95.5Very high2 Ų250.5 Ų50.52%0.01727%0.268CS..  trans-91.113.5-172.800000114.2V72 I83 P84 G89 Q90 A95V72-A87 WeakPolarHBondContact CB-O 3.39Å; I83-A87 HydrophobicContact CG2-CB 4.06Å; P84-A87 HydrophobicContact CB-CB 4.35Å; P84-A87 HydrophobicContact CG-CB 4.49Å; P84-A87 VanDerWaalsContact O-CB 3.3Å; P84-A87 WeakPolarHBondContact O-CB 3.37Å; P84-A87 PolarHBondContact O-N 3Å; A87-G89 PolarHBondContact O-N 2.98Å; A87-Q90 HydrophobicContact CB-CG 4.48Å; A87-Q90 VanDerWaalsContact O-CB 3.26Å; A87-Q90 WeakPolarHBondContact O-CB 3.41Å; A87-Q90 WeakPolarHBondContact O-CG 3.03Å; A87-Q90 PolarHBondContact O-N 3.46Å; A87-A95 HydrophobicContact CB-CB 3.78Å
88Q94.4Very high96Very high127 Ų12755.1 Ų55.159%0.59329%0.288SS*.THydrogen-bonded Turntrans-54.3134178.8-174.1172-10.900111.5T86 Q90T86-Q88 VanDerWaalsContact C-N 3.33Å; T86-Q88 PolarHBondContact O-N 3.44Å; Q88-Q90 PolarHBondContact O-N 3.23Å
89G93.8Very high96.5Very high43 Ų4350.8 Ų50.844%0.44327%0.272SS..THydrogen-bonded Turntrans80.3-9.7-176.800000115.3V72 A87V72-G89 PolarHBondContact O-N 2.92Å; V72-G89 VanDerWaalsContact O-N 3.15Å; A87-G89 PolarHBondContact O-N 2.98Å
90Q97.4Very high97Very high99 Ų9948.4 Ų48.446%0.46325%0.252SS..SBendtrans-75.8164.5169.1-57.6-176.12300110.7Q71 V72 A87 Q88 A95Q71-Q90 CarbonylContact C-O 3.58Å; Q71-Q90 VanDerWaalsContact CA-O 3.3Å; Q71-Q90 WeakPolarHBondContact CA-O 3.44Å; V72-Q90 WeakPolarHBondContact CG2-O 3.36Å; V72-Q90 PolarHBondContact N-O 2.76Å; A87-Q90 HydrophobicContact CB-CG 4.48Å; A87-Q90 VanDerWaalsContact O-CB 3.26Å; A87-Q90 WeakPolarHBondContact O-CB 3.41Å; A87-Q90 WeakPolarHBondContact O-CG 3.03Å; A87-Q90 PolarHBondContact O-N 3.46Å; Q88-Q90 PolarHBondContact O-N 3.23Å; Q90-A95 HydrophobicContact CB-CB 4.33Å
91N98.5Very high97.1Very high27 Ų2751 Ų5114%0.14427%0.265CS..BIsolated β-bridgetrans-68139171.2172-86.1000110.9D68 E70 A93 Q94 A95 T113D68-N91 PolarHBondContact O-ND2 2.84Å; D68-N91 PolarHBondContact O-OD1 3.15Å; E70-N91 PolarHBondContact O-ND2 2.88Å; N91-A93 PolarHBondContact O-N 3.48Å; N91-A93 WeakPolarHBondContact OD1-CB 3.46Å; N91-A93 PolarHBondContact OD1-N 2.94Å; N91-Q94 HydrophobicContact CB-CB 4.1Å; N91-Q94 PolarHBondContact O-N 3.05Å; N91-Q94 PolarHBondContact OD1-N 3.47Å; N91-A95 VanDerWaalsContact O-CB 3.24Å; N91-A95 WeakPolarHBondContact O-CB 3.12Å; N91-A95 PolarHBondContact O-N 3.24Å; N91-T113 HydrophobicContact CB-CG2 4.05Å; N91-T113 VanDerWaalsContact CG-CG2 3.49Å; N91-T113 WeakPolarHBondContact OD1-CG2 3.26Å
92R98.4Very high97.2Very high17 Ų1755 Ų556%0.06428%0.278CS..Hα-helixtrans-62.4-43.6-175.7-71.1-176.6-170.4155.19114.1L45 D68 E70 Q71 V72 S76 I83 S96L45-R92 HydrophobicContact CB-CB 4.45Å; D68-R92 HydrophobicContact CB-CB 4.25Å; E70-R92 WeakPolarHBondContact O-CG 3.08Å; E70-R92 PolarHBondContact O-N 2.92Å; E70-R92 IonicContact OE2-CZ 2.97Å; E70-R92 IonicContact OE2-NH1 3.15Å; E70-R92 PolarHBondContact OE2-NH1 2.8Å; E70-R92 IonicContact OE2-NH2 3.37Å; E70-R92 PolarHBondContact OE2-NH2 3.37Å; Q71-R92 PolarHBondContact O-NE 3.33Å; Q71-R92 PolarHBondContact O-NH2 3.47Å; V72-R92 HydrophobicContact CG2-CG 3.99Å; S76-R92 PolarHBondContact OG-NE 2.87Å; I83-R92 HydrophobicContact CD1-CB 4.44Å; I83-R92 HydrophobicContact CD1-CG 4.33Å; R92-S96 WeakPolarHBondContact O-CB 3.15Å; R92-S96 PolarHBondContact O-N 3.48Å; R92-S96 VanDerWaalsContact O-N 3.09Å; R92-S96 PolarHBondContact O-OG 2.84Å
93A98.6Very high97.2Very high0 Ų057.6 Ų57.60%029%0.292CS..Hα-helixtrans-64.9-44.9178.200000110.7L66 D68 N91 S96 L97 A111L66-A93 HydrophobicContact CB-CB 4.15Å; L66-A93 WeakPolarHBondContact O-CB 3.29Å; D68-A93 HydrophobicContact CB-CB 3.98Å; N91-A93 PolarHBondContact O-N 3.48Å; N91-A93 WeakPolarHBondContact OD1-CB 3.46Å; N91-A93 PolarHBondContact OD1-N 2.94Å; A93-S96 PolarHBondContact O-N 2.85Å; A93-L97 PolarHBondContact O-N 2.72Å; A93-A111 HydrophobicContact CB-CB 4.13Å
94Q98.6Very high97.2Very high94 Ų9457.5 Ų57.544%0.43929%0.291SS..Hα-helixtrans-64.8-42.7178.2-17457.865.700112.5N91 S96 L97 T113N91-Q94 HydrophobicContact CB-CB 4.1Å; N91-Q94 PolarHBondContact O-N 3.05Å; N91-Q94 PolarHBondContact OD1-N 3.47Å; Q94-S96 PolarHBondContact O-N 3.39Å; Q94-L97 WeakPolarHBondContact O-CB 3.18Å; Q94-L97 PolarHBondContact O-N 2.97Å; Q94-T113 HydrophobicContact CB-CG2 4.48Å
95A98.4Very high97.3Very high6 Ų661.6 Ų61.65%0.0532%0.318CS..Hα-helixtrans-65.4-28.5178.100000112.7V72 I83 P84 A87 Q90 N91V72-A95 HydrophobicContact CG2-CB 3.75Å; I83-A95 HydrophobicContact CG1-CB 4.38Å; I83-A95 HydrophobicContact CG2-CB 4.26Å; P84-A95 WeakPolarHBondContact CD-O 3.38Å; A87-A95 HydrophobicContact CB-CB 3.78Å; Q90-A95 HydrophobicContact CB-CB 4.33Å; N91-A95 VanDerWaalsContact O-CB 3.24Å; N91-A95 WeakPolarHBondContact O-CB 3.12Å; N91-A95 PolarHBondContact O-N 3.24Å
96S98.6Very high97.4Very high0 Ų057.7 Ų57.70%029%0.293CS..Hα-helixtrans-80.8-19.5178.3-58.60000113.4Q80 I83 R92 A93 Q94 E98 A100Q80-S96 PolarHBondContact NE2-OG 2.87Å; I83-S96 WeakPolarHBondContact CG1-OG 3.49Å; R92-S96 WeakPolarHBondContact O-CB 3.15Å; R92-S96 PolarHBondContact O-N 3.48Å; R92-S96 VanDerWaalsContact O-N 3.09Å; R92-S96 PolarHBondContact O-OG 2.84Å; A93-S96 PolarHBondContact O-N 2.85Å; Q94-S96 PolarHBondContact O-N 3.39Å; S96-E98 PolarHBondContact O-N 3.22Å; S96-A100 WeakPolarHBondContact O-CB 3.5Å; S96-A100 PolarHBondContact O-N 3.44Å
97L98.6Very high97.7Very high40 Ų4052 Ų5221%0.20926%0.258CS..Hα-helixtrans-58.6-48.4-165.4-178.362000113.3A93 Q94 A100 Q101 V109 A111A93-L97 PolarHBondContact O-N 2.72Å; Q94-L97 WeakPolarHBondContact O-CB 3.18Å; Q94-L97 PolarHBondContact O-N 2.97Å; L97-A100 PolarHBondContact O-N 3.34Å; L97-Q101 WeakPolarHBondContact O-CB 3.37Å; L97-Q101 PolarHBondContact O-N 3.45Å; L97-V109 HydrophobicContact CD1-CB 4.12Å; L97-V109 HydrophobicContact CD1-CG1 3.8Å; L97-V109 WeakPolarHBondContact CD1-O 3.45Å; L97-A111 HydrophobicContact CB-CB 4.43Å; L97-A111 HydrophobicContact CD1-CB 4.39Å; L97-A111 HydrophobicContact CD2-CB 4.26Å
98E98.3Very high97.8Very high112 Ų11255.3 Ų55.352%0.52327%0.273SS..Hα-helixtrans-62.3-53.1-175.2177.6179.1-169.200111.4S96 A100 Q101 Y102S96-E98 PolarHBondContact O-N 3.22Å; E98-A100 VanDerWaalsContact C-N 3.32Å; E98-A100 PolarHBondContact O-N 2.86Å; E98-Q101 PolarHBondContact O-N 3.09Å; E98-Y102 HydrophobicContact CG-CD2 3.87Å; E98-Y102 HydrophobicContact CG-CE2 3.24Å; E98-Y102 VanDerWaalsContact O-CD2 3.22Å; E98-Y102 WeakPolarHBondContact O-CD2 3.44Å; E98-Y102 PolarHBondContact O-N 3.38Å; E98-Y102 VanDerWaalsContact OE1-CE2 3.26Å; E98-Y102 WeakPolarHBondContact OE1-CE2 3.49Å; E98-Y102 PolarHBondContact OE1-OH 3.39Å
99R98.6Very high98.1Very high105 Ų10549.8 Ų49.840%0.39625%0.248SC..Hα-helixtrans-64.7-37.1179.1-68.4-167179.8167.7-0.4112.1F81 L82 I83 Y102 L103F81-R99 PolarHBondContact O-NH1 2.89Å; L82-R99 HydrophobicContact CD2-CB 4.21Å; L82-R99 WeakPolarHBondContact O-CB 3.22Å; L82-R99 WeakPolarHBondContact O-CD 3.43Å; I83-R99 PolarHBondContact O-NH1 3.24Å; R99-Y102 PolarHBondContact O-N 3.47Å; R99-L103 PolarHBondContact O-N 3.38Å
100A98.8Very high98.3Very high0 Ų052.1 Ų52.10%025%0.246CC..Hα-helixtrans-62.4-46.9175.700000111.2I57 L66 L82 S96 L97 E98 Y102 L103 V109I57-A100 HydrophobicContact CD1-CB 3.8Å; L66-A100 HydrophobicContact CD1-CB 4.16Å; L82-A100 HydrophobicContact CD1-CB 4.3Å; L82-A100 HydrophobicContact CD2-CB 4.33Å; S96-A100 WeakPolarHBondContact O-CB 3.5Å; S96-A100 PolarHBondContact O-N 3.44Å; L97-A100 PolarHBondContact O-N 3.34Å; E98-A100 VanDerWaalsContact C-N 3.32Å; E98-A100 PolarHBondContact O-N 2.86Å; A100-Y102 VanDerWaalsContact C-N 3.32Å; A100-Y102 PolarHBondContact O-N 3.33Å; A100-L103 WeakPolarHBondContact O-CB 3.43Å; A100-L103 PolarHBondContact O-N 2.99Å; A100-V109 HydrophobicContact CB-CG1 4.07Å
101Q98.8Very high98.4Very high60 Ų6048.9 Ų48.928%0.2824%0.236SC..Hα-helixtrans-63.7-35.6179-174.559.276.100112.6L97 E98 L103 N104 V107 V109L97-Q101 WeakPolarHBondContact O-CB 3.37Å; L97-Q101 PolarHBondContact O-N 3.45Å; E98-Q101 PolarHBondContact O-N 3.09Å; Q101-L103 PolarHBondContact O-N 3.49Å; Q101-N104 PolarHBondContact NE2-O 3.44Å; Q101-N104 CarbonylContact O-C 3.59Å; Q101-N104 PolarHBondContact O-N 3.34Å; Q101-V107 PolarHBondContact NE2-O 3.41Å; Q101-V107 PolarHBondContact OE1-O 2.89Å; Q101-V109 HydrophobicContact CB-CB 4.45Å
102Y98.4Very high98.4Very high166 Ų16649 Ų4965%0.65124%0.237SC*.Hα-helixtrans-65.3-22.8176.7-73.8-45.3000114.3E98 R99 A100 N104E98-Y102 HydrophobicContact CG-CD2 3.87Å; E98-Y102 HydrophobicContact CG-CE2 3.24Å; E98-Y102 VanDerWaalsContact O-CD2 3.22Å; E98-Y102 WeakPolarHBondContact O-CD2 3.44Å; E98-Y102 PolarHBondContact O-N 3.38Å; E98-Y102 VanDerWaalsContact OE1-CE2 3.26Å; E98-Y102 WeakPolarHBondContact OE1-CE2 3.49Å; E98-Y102 PolarHBondContact OE1-OH 3.39Å; R99-Y102 PolarHBondContact O-N 3.47Å; A100-Y102 VanDerWaalsContact C-N 3.32Å; A100-Y102 PolarHBondContact O-N 3.33Å; Y102-N104 PolarHBondContact O-N 2.99Å
103L98.6Very high98.4Very high58 Ų5851.4 Ų51.430%0.30425%0.253SS..Hα-helixtrans-62.7-33.7178-67.9174.4000111.9K54 I57 L58 L82 R99 A100 Q101K54-L103 HydrophobicContact CB-CD1 3.89Å; K54-L103 HydrophobicContact CG-CD1 3.79Å; I57-L103 HydrophobicContact CD1-CD1 4.42Å; I57-L103 HydrophobicContact CG2-CB 3.72Å; L58-L103 HydrophobicContact CD2-CB 4.19Å; L58-L103 WeakPolarHBondContact CD2-O 3.36Å; L82-L103 HydrophobicContact CD2-CD1 4.15Å; R99-L103 PolarHBondContact O-N 3.38Å; A100-L103 WeakPolarHBondContact O-CB 3.43Å; A100-L103 PolarHBondContact O-N 2.99Å; Q101-L103 PolarHBondContact O-N 3.49Å
104N98.3Very high98.4Very high0 Ų055.3 Ų55.30%027%0.274CS..  trans-158103.7178.4-166.6-13.3000111.8Q19 Y20 I57 Q101 Y102 M106 V107Q19-N104 PolarHBondContact NE2-ND2 2.75Å; Q19-N104 PolarHBondContact NE2-OD1 2.94Å; Q19-N104 VanDerWaalsContact NE2-OD1 3.07Å; Y20-N104 PolarHBondContact OH-ND2 3.12Å; I57-N104 HydrophobicContact CG2-CB 3.5Å; I57-N104 VanDerWaalsContact CG2-CB 3.5Å; I57-N104 WeakPolarHBondContact O-CB 3.28Å; I57-N104 PolarHBondContact O-ND2 3.21Å; Q101-N104 PolarHBondContact NE2-O 3.44Å; Q101-N104 CarbonylContact O-C 3.59Å; Q101-N104 PolarHBondContact O-N 3.34Å; Y102-N104 PolarHBondContact O-N 2.99Å; N104-M106 PolarHBondContact O-N 3.12Å; N104-M106 VanDerWaalsContact O-N 3.08Å; N104-M106 WeakPolarHBondContact OD1-CB 3.29Å; N104-M106 PolarHBondContact OD1-N 3.02Å; N104-M106 VanDerWaalsContact OD1-N 3.16Å; N104-V107 HydrophobicContact CB-CG2 4.05Å; N104-V107 PolarHBondContact O-N 3.08Å; N104-V107 VanDerWaalsContact O-N 3.14Å
105P97.2Very high98.4Very high109 Ų10957.1 Ų57.171%0.70828%0.277SS*.THydrogen-bonded Turntrans-60.2-19178.5-25.135.3000114.7V107P105-V107 VanDerWaalsContact C-N 3.33Å
106M96.3Very high98.4Very high25 Ų2557 Ų5712%0.12328%0.276CS..THydrogen-bonded Turntrans-78.5-19.1-179.2-60.6164.5173.700112.5E15 E16 Q19 Y20 R36 N104E15-M106 HydrophobicContact CB-CE 3.89Å; E15-M106 HydrophobicContact CG-CE 3.49Å; E15-M106 VanDerWaalsContact CG-CE 3.49Å; E16-M106 HydrophobicContact CB-CE 4.33Å; E16-M106 HydrophobicContact CB-SD 4.18Å; E16-M106 HydrophobicContact CG-CE 3.68Å; E16-M106 HydrophobicContact CG-CG 4.18Å; E16-M106 HydrophobicContact CG-SD 3.29Å; E16-M106 WeakPolarHBondContact CG-SD 3.16Å; Q19-M106 HydrophobicContact CB-CE 4.48Å; Q19-M106 PolarHBondContact OE1-SD 3.23Å; Y20-M106 HydrophobicContact CE2-SD 4.09Å; R36-M106 PolarHBondContact NH1-O 2.82Å; R36-M106 PolarHBondContact NH2-O 3.42Å; N104-M106 PolarHBondContact O-N 3.12Å; N104-M106 VanDerWaalsContact O-N 3.08Å; N104-M106 WeakPolarHBondContact OD1-CB 3.29Å; N104-M106 PolarHBondContact OD1-N 3.02Å; N104-M106 VanDerWaalsContact OD1-N 3.16Å
107V98.1Very high98.3Very high2 Ų260.5 Ų60.51%0.01229%0.292CS..SBendtrans-94.7129-179.6-178.30000109.8I57 V61 Q101 N104 P105 V109I57-V107 HydrophobicContact CG1-CG1 4.48Å; I57-V107 HydrophobicContact CG2-CB 4.33Å; I57-V107 HydrophobicContact CG2-CG2 4.39Å; I57-V107 WeakPolarHBondContact O-CG2 3.49Å; V61-V107 HydrophobicContact CG2-CG1 3.79Å; V61-V107 WeakPolarHBondContact O-CG2 3.49Å; Q101-V107 PolarHBondContact NE2-O 3.41Å; Q101-V107 PolarHBondContact OE1-O 2.89Å; N104-V107 HydrophobicContact CB-CG2 4.05Å; N104-V107 PolarHBondContact O-N 3.08Å; N104-V107 VanDerWaalsContact O-N 3.14Å; P105-V107 VanDerWaalsContact C-N 3.33Å; V107-V109 HydrophobicContact CG1-CG2 4.28Å; V107-V109 PolarHBondContact O-N 2.89Å
108E98.6Very high98.3Very high72 Ų7263 Ų6334%0.33631%0.309SS..EExtended strand (participates in β ladder)trans-76.5105.9172.4-175.9-170.6-150.600109.8R39 K62 G63 L64 K110R39-E108 IonicContact CZ-OE2 3.72Å; R39-E108 IonicContact NE-OE2 2.92Å; R39-E108 IonicContact NH2-OE2 3.2Å; R39-E108 PolarHBondContact NH2-OE2 3.47Å; K62-E108 PolarHBondContact O-N 3.22Å; G63-E108 CarbonylContact C-O 3.48Å; G63-E108 WeakPolarHBondContact CA-O 3.26Å; L64-E108 PolarHBondContact N-O 3.03Å; E108-K110 VanDerWaalsContact CD-NZ 3.29Å; E108-K110 HydrophobicContact CG-CG 4.44Å; E108-K110 WeakPolarHBondContact OE1-CE 3.33Å; E108-K110 IonicContact OE1-NZ 3.81Å; E108-K110 PolarHBondContact OE1-NZ 3.4Å; E108-K110 IonicContact OE2-NZ 3.59Å; E108-K110 PolarHBondContact OE2-NZ 2.97Å
109V98.9Very high98.3Very high11 Ų1158.5 Ų58.57%0.06729%0.288CS..EExtended strand (participates in β ladder)trans-96.5130174.8-168.90000109.7I57 L64 L66 L97 A100 Q101 V107I57-V109 HydrophobicContact CD1-CG2 3.95Å; I57-V109 HydrophobicContact CG1-CG2 4.09Å; L64-V109 WeakPolarHBondContact O-CA 3.41Å; L66-V109 HydrophobicContact CD1-CG1 3.91Å; L66-V109 HydrophobicContact CG-CG1 4.03Å; L97-V109 HydrophobicContact CD1-CB 4.12Å; L97-V109 HydrophobicContact CD1-CG1 3.8Å; L97-V109 WeakPolarHBondContact CD1-O 3.45Å; A100-V109 HydrophobicContact CB-CG1 4.07Å; Q101-V109 HydrophobicContact CB-CB 4.45Å; V107-V109 HydrophobicContact CG1-CG2 4.28Å; V107-V109 PolarHBondContact O-N 2.89Å
110K98.8Very high98.2Very high92 Ų9256.7 Ų56.740%0.429%0.29SS..EExtended strand (participates in β ladder)trans-122.5147.9176.2-69.7-178.2175.71580110.7L64 T65 L66 E108L64-K110 PolarHBondContact O-N 3.38Å; T65-K110 HydrophobicContact CG2-CB 4.46Å; L66-K110 WeakPolarHBondContact CB-O 3.4Å; L66-K110 PolarHBondContact N-O 2.81Å; E108-K110 VanDerWaalsContact CD-NZ 3.29Å; E108-K110 HydrophobicContact CG-CG 4.44Å; E108-K110 WeakPolarHBondContact OE1-CE 3.33Å; E108-K110 IonicContact OE1-NZ 3.81Å; E108-K110 PolarHBondContact OE1-NZ 3.4Å; E108-K110 IonicContact OE2-NZ 3.59Å; E108-K110 PolarHBondContact OE2-NZ 2.97Å
111A98.8Very high98.2Very high30 Ų3060.1 Ų60.125%0.24831%0.308CS..EExtended strand (participates in β ladder)trans-107.1137168.700000109.8L66 A93 L97L66-A111 CarbonylContact O-C 3.57Å; L66-A111 WeakPolarHBondContact O-CA 3.34Å; A93-A111 HydrophobicContact CB-CB 4.13Å; L97-A111 HydrophobicContact CB-CB 4.43Å; L97-A111 HydrophobicContact CD1-CB 4.39Å; L97-A111 HydrophobicContact CD2-CB 4.26Å
112D98.8Very high98.2Very high30 Ų3065.1 Ų65.116%0.1633%0.329CS..EExtended strand (participates in β ladder)trans-127.2122.7172.4-169.3-39.1000108.1T65 L66 L67 D68 D114 K119T65-D112 HydrophobicContact CG2-CB 4.11Å; L66-D112 PolarHBondContact O-N 3.38Å; L67-D112 WeakPolarHBondContact CA-O 3.43Å; L67-D112 HydrophobicContact CB-CB 4.26Å; L67-D112 HydrophobicContact CG-CB 4.14Å; D68-D112 PolarHBondContact N-O 3Å; D68-D112 VanDerWaalsContact N-O 3.11Å; D112-D114 PolarHBondContact OD1-N 2.6Å; D112-D114 VanDerWaalsContact OD1-N 3.09Å; D112-K119 WeakPolarHBondContact OD1-CE 3.17Å; D112-K119 IonicContact OD1-NZ 2.88Å; D112-K119 PolarHBondContact OD1-NZ 3.02Å; D112-K119 VanDerWaalsContact OD2-CE 3.26Å; D112-K119 WeakPolarHBondContact OD2-CE 3.44Å; D112-K119 IonicContact OD2-NZ 3.67Å; D112-K119 PolarHBondContact OD2-NZ 3.16Å
113T98.7Very high98.2Very high67 Ų6758.5 Ų58.541%0.41130%0.303SS..  trans-99.3-0.3-170.664.80000113.3H69 N91 Q94H69-T113 WeakPolarHBondContact CA-O 3.38Å; N91-T113 HydrophobicContact CB-CG2 4.05Å; N91-T113 VanDerWaalsContact CG-CG2 3.49Å; N91-T113 WeakPolarHBondContact OD1-CG2 3.26Å; Q94-T113 HydrophobicContact CB-CG2 4.48Å
114D98.4Very high98.2Very high82 Ų8255.8 Ų55.844%0.43929%0.289SS..SBendtrans-78.9162.5-177.7-65.2-24.4000111.6L67 D112 V116 K119L67-D114 VanDerWaalsContact CD2-O 3.25Å; L67-D114 WeakPolarHBondContact CD2-O 3.17Å; D112-D114 PolarHBondContact OD1-N 2.6Å; D112-D114 VanDerWaalsContact OD1-N 3.09Å; D114-V116 PolarHBondContact O-N 3.13Å; D114-K119 HydrophobicContact CB-CD 4.48Å; D114-K119 VanDerWaalsContact CB-NZ 3.34Å; D114-K119 IonicContact OD2-NZ 2.68Å; D114-K119 PolarHBondContact OD2-NZ 2.74Å
115R98.3Very high98.2Very high132 Ų13259.3 Ų59.350%0.49831%0.308SS..  trans-71.4127.6171.6-57.3-169.374-175.51.5110.2H69 E117 T118H69-R115 HydrophobicContact CB-CB 4.42Å; H69-R115 HydrophobicContact CB-CG 3.79Å; R115-E117 PolarHBondContact O-N 2.89Å; R115-T118 HydrophobicContact CB-CG2 3.98Å; R115-T118 PolarHBondContact O-N 3.38Å; R115-T118 PolarHBondContact O-OG1 3.47Å
116V98.3Very high98.2Very high5 Ų559.2 Ų59.23%0.0330%0.298CS..G310 helixtrans-56.9-34.4178.854.80000112.3V43 L67 D114 T118 K119 F124 L139V43-V116 HydrophobicContact CG1-CB 3.98Å; V43-V116 HydrophobicContact CG1-CG1 3.94Å; V43-V116 HydrophobicContact CG1-CG2 4.14Å; V43-V116 HydrophobicContact CG2-CG2 4.06Å; L67-V116 HydrophobicContact CD1-CB 4.48Å; L67-V116 HydrophobicContact CD2-CB 3.82Å; D114-V116 PolarHBondContact O-N 3.13Å; V116-T118 PolarHBondContact O-N 3.29Å; V116-K119 WeakPolarHBondContact O-CB 3.33Å; V116-K119 PolarHBondContact O-N 3Å; V116-K119 VanDerWaalsContact O-N 3.14Å; V116-F124 HydrophobicContact CG2-CE1 4.2Å; V116-F124 HydrophobicContact CG2-CZ 4.04Å; V116-L139 HydrophobicContact CB-CD2 4.28Å; V116-L139 HydrophobicContact CG1-CD2 3.29Å; V116-L139 HydrophobicContact CG2-CD1 4.33Å; V116-L139 HydrophobicContact CG2-CD2 4.07Å
117E97.4Very high98.3Very high73 Ų7358.4 Ų58.434%0.34129%0.294SS..G310 helixtrans-63.1-25.5178.3-60.483.2173.700112.8R115 L139R115-E117 PolarHBondContact O-N 2.89Å; E117-L139 HydrophobicContact CG-CD1 4.24Å; E117-L139 HydrophobicContact CG-CD2 4.29Å
118T97.6Very high98.4Very high93 Ų9360.8 Ų60.857%0.57131%0.305SS*.G310 helixtrans-90.6-9.2-178.667.40000113R115 V116R115-T118 HydrophobicContact CB-CG2 3.98Å; R115-T118 PolarHBondContact O-N 3.38Å; R115-T118 PolarHBondContact O-OG1 3.47Å; V116-T118 PolarHBondContact O-N 3.29Å
119K98.3Very high98.4Very high17 Ų1757.3 Ų57.37%0.07429%0.289CS..SBendtrans-68.1132.6179.7-66.6-61-170.7-173.90110.4L67 D112 D114 V116 F123 F124L67-K119 HydrophobicContact CD1-CG 4.12Å; D112-K119 WeakPolarHBondContact OD1-CE 3.17Å; D112-K119 IonicContact OD1-NZ 2.88Å; D112-K119 PolarHBondContact OD1-NZ 3.02Å; D112-K119 VanDerWaalsContact OD2-CE 3.26Å; D112-K119 WeakPolarHBondContact OD2-CE 3.44Å; D112-K119 IonicContact OD2-NZ 3.67Å; D112-K119 PolarHBondContact OD2-NZ 3.16Å; D114-K119 HydrophobicContact CB-CD 4.48Å; D114-K119 VanDerWaalsContact CB-NZ 3.34Å; D114-K119 IonicContact OD2-NZ 2.68Å; D114-K119 PolarHBondContact OD2-NZ 2.74Å; V116-K119 WeakPolarHBondContact O-CB 3.33Å; V116-K119 PolarHBondContact O-N 3Å; V116-K119 VanDerWaalsContact O-N 3.14Å; K119-F123 HydrophobicContact CB-CB 4.11Å; K119-F123 HydrophobicContact CB-CD1 3.78Å; K119-F123 HydrophobicContact CB-CE1 4.46Å; K119-F123 HydrophobicContact CB-CG 4.04Å; K119-F123 HydrophobicContact CD-CD1 4.06Å; K119-F123 HydrophobicContact CD-CD2 4.05Å; K119-F123 HydrophobicContact CD-CE1 4.21Å; K119-F123 HydrophobicContact CD-CE2 4.2Å; K119-F123 HydrophobicContact CD-CG 3.98Å; K119-F123 HydrophobicContact CD-CZ 4.29Å; K119-F123 HydrophobicContact CG-CD1 3.77Å; K119-F123 HydrophobicContact CG-CE1 3.97Å; K119-F123 HydrophobicContact CG-CG 4.13Å; K119-F124 HydrophobicContact CB-CE2 4Å; K119-F124 HydrophobicContact CB-CZ 4.07Å
120P98.1Very high98.4Very high67 Ų6756.8 Ų56.844%0.43529%0.285SS..  trans-69.8151.3174.331.3-35.6000109.8K122 F123P120-K122 HydrophobicContact CB-CG 4.13Å; P120-K122 HydrophobicContact CG-CG 3.96Å; P120-K122 PolarHBondContact O-N 2.83Å; P120-F123 HydrophobicContact CG-CB 4.35Å; P120-F123 WeakPolarHBondContact O-CB 3.08Å; P120-F123 PolarHBondContact O-N 2.7Å
121D98.1Very high98.4Very high72 Ų7252.4 Ų52.439%0.38527%0.266SS..G310 helixtrans-52.4-38.7-176.2-65.4-7.2000113.3F123 F124 R142 L146D121-F123 PolarHBondContact O-N 3.34Å; D121-F124 PolarHBondContact O-N 3.45Å; D121-R142 IonicContact OD1-CZ 3.03Å; D121-R142 IonicContact OD1-NE 3.71Å; D121-R142 IonicContact OD1-NH2 2.72Å; D121-R142 PolarHBondContact OD1-NH2 3.44Å; D121-L146 HydrophobicContact CB-CD1 3.87Å; D121-L146 HydrophobicContact CB-CD2 3.67Å; D121-L146 HydrophobicContact CB-CG 4.44Å
122K98Very high98.4Very high164 Ų16451 Ų5171%0.71326%0.255SS*.G310 helixtrans-55.7-24.2175.770.1-180-178.3177.40114.4P120 F124 L125P120-K122 HydrophobicContact CB-CG 4.13Å; P120-K122 HydrophobicContact CG-CG 3.96Å; P120-K122 PolarHBondContact O-N 2.83Å; K122-F124 VanDerWaalsContact C-N 3.32Å; K122-L125 PolarHBondContact O-N 3.17Å
123F98.6Very high98.4Very high27 Ų2749.8 Ų49.812%0.11825%0.248CC..G310 helixtrans-63.5-39.1177.2173.3-100.1000111.5L41 L67 K119 P120 D121 L125 Q126 F127L41-F123 HydrophobicContact CD1-CE1 3.98Å; L41-F123 HydrophobicContact CD1-CZ 4.05Å; L41-F123 HydrophobicContact CD2-CD1 4.38Å; L41-F123 HydrophobicContact CD2-CE1 3.66Å; L41-F123 HydrophobicContact CG-CE1 4.49Å; L67-F123 HydrophobicContact CD1-CE1 3.7Å; L67-F123 HydrophobicContact CD1-CZ 3.8Å; K119-F123 HydrophobicContact CB-CB 4.11Å; K119-F123 HydrophobicContact CB-CD1 3.78Å; K119-F123 HydrophobicContact CB-CE1 4.46Å; K119-F123 HydrophobicContact CB-CG 4.04Å; K119-F123 HydrophobicContact CD-CD1 4.06Å; K119-F123 HydrophobicContact CD-CD2 4.05Å; K119-F123 HydrophobicContact CD-CE1 4.21Å; K119-F123 HydrophobicContact CD-CE2 4.2Å; K119-F123 HydrophobicContact CD-CG 3.98Å; K119-F123 HydrophobicContact CD-CZ 4.29Å; K119-F123 HydrophobicContact CG-CD1 3.77Å; K119-F123 HydrophobicContact CG-CE1 3.97Å; K119-F123 HydrophobicContact CG-CG 4.13Å; P120-F123 HydrophobicContact CG-CB 4.35Å; P120-F123 WeakPolarHBondContact O-CB 3.08Å; P120-F123 PolarHBondContact O-N 2.7Å; D121-F123 PolarHBondContact O-N 3.34Å; F123-L125 VanDerWaalsContact C-N 3.29Å; F123-L125 PolarHBondContact O-N 2.95Å; F123-Q126 VanDerWaalsContact CD2-NE2 3.32Å; F123-Q126 VanDerWaalsContact O-CG 3.3Å; F123-Q126 WeakPolarHBondContact O-CG 3.49Å; F123-Q126 PolarHBondContact O-NE2 3.13Å; F123-F127 HydrophobicContact CD1-CE2 4.41Å; F123-F127 HydrophobicContact CE1-CE2 4.01Å; F123-F127 HydrophobicContact CE2-CE2 4.48Å; F123-F127 HydrophobicContact CZ-CE2 4.03Å; F123-F127 HydrophobicContact CZ-CZ 4.22Å; F123-F127 WeakPolarHBondContact O-CE2 3.42Å
124F98.6Very high98.3Very high2 Ų248.3 Ų48.31%0.00925%0.246CC..G310 helixtrans-73.4-25.3-177.9-59.6-84.5000111.9L41 V116 K119 D121 K122 Q126 F127 V130 V143 L146L41-F124 HydrophobicContact CD2-CD1 3.75Å; L41-F124 HydrophobicContact CD2-CE1 3.87Å; V116-F124 HydrophobicContact CG2-CE1 4.2Å; V116-F124 HydrophobicContact CG2-CZ 4.04Å; K119-F124 HydrophobicContact CB-CE2 4Å; K119-F124 HydrophobicContact CB-CZ 4.07Å; D121-F124 PolarHBondContact O-N 3.45Å; K122-F124 VanDerWaalsContact C-N 3.32Å; F124-Q126 PolarHBondContact O-N 3.01Å; F124-Q126 VanDerWaalsContact O-N 3.1Å; F124-F127 PolarHBondContact O-N 3.46Å; F124-V130 HydrophobicContact CD1-CG2 4.4Å; F124-V143 HydrophobicContact CD1-CG1 4.03Å; F124-V143 HydrophobicContact CE1-CG1 4.08Å; F124-V143 HydrophobicContact CE1-CG2 3.95Å; F124-V143 HydrophobicContact CZ-CG2 3.93Å; F124-L146 HydrophobicContact CB-CD2 4.14Å; F124-L146 HydrophobicContact CD2-CD2 3.69Å; F124-L146 HydrophobicContact CE2-CD2 4.48Å; F124-L146 HydrophobicContact CG-CD2 4.16Å
125L98.2Very high98.3Very high74 Ų7444.7 Ų44.739%0.38723%0.228SC..G310 helixtrans-69.5-8.5-174.1-52.2-172.9000115K122 F123 F127 H150 I152K122-L125 PolarHBondContact O-N 3.17Å; F123-L125 VanDerWaalsContact C-N 3.29Å; F123-L125 PolarHBondContact O-N 2.95Å; L125-F127 VanDerWaalsContact C-N 3.35Å; L125-H150 HydrophobicContact CD2-CB 3.93Å; L125-H150 WeakPolarHBondContact CD2-CD2 3.34Å; L125-H150 VanDerWaalsContact CD2-CG 3.48Å; L125-I152 HydrophobicContact CD2-CD1 3.87Å
126Q97.9Very high98.3Very high106 Ų10640.2 Ų40.250%0.49522%0.216SC..G310 helixtrans-87.9-1.2178.675.5-168.4-5700113.8F123 F124F123-Q126 VanDerWaalsContact CD2-NE2 3.32Å; F123-Q126 VanDerWaalsContact O-CG 3.3Å; F123-Q126 WeakPolarHBondContact O-CG 3.49Å; F123-Q126 PolarHBondContact O-NE2 3.13Å; F124-Q126 PolarHBondContact O-N 3.01Å; F124-Q126 VanDerWaalsContact O-N 3.1Å
127F98.8Very high98.3Very high8 Ų843.2 Ų43.24%0.03523%0.227CC..  trans-115.6146.5-175.1-56.1-75000111.5R39 L41 T65 F123 F124 L125 V130R39-F127 HydrophobicContact CB-CD1 4.15Å; L41-F127 HydrophobicContact CB-CB 4.42Å; L41-F127 HydrophobicContact CB-CD1 3.89Å; L41-F127 HydrophobicContact CB-CD2 3.63Å; L41-F127 HydrophobicContact CB-CE1 3.99Å; L41-F127 HydrophobicContact CB-CE2 3.73Å; L41-F127 HydrophobicContact CB-CG 3.72Å; L41-F127 HydrophobicContact CB-CZ 3.91Å; L41-F127 HydrophobicContact CD1-CE2 4.09Å; L41-F127 HydrophobicContact CD1-CZ 4Å; L41-F127 HydrophobicContact CD2-CD2 4.14Å; L41-F127 HydrophobicContact CD2-CE2 3.94Å; L41-F127 HydrophobicContact CG-CD2 4.4Å; L41-F127 HydrophobicContact CG-CE2 4.14Å; L41-F127 HydrophobicContact CG-CZ 4.4Å; T65-F127 HydrophobicContact CG2-CZ 4.34Å; T65-F127 WeakPolarHBondContact OG1-CE1 2.94Å; F123-F127 HydrophobicContact CD1-CE2 4.41Å; F123-F127 HydrophobicContact CE1-CE2 4.01Å; F123-F127 HydrophobicContact CE2-CE2 4.48Å; F123-F127 HydrophobicContact CZ-CE2 4.03Å; F123-F127 HydrophobicContact CZ-CZ 4.22Å; F123-F127 WeakPolarHBondContact O-CE2 3.42Å; F124-F127 PolarHBondContact O-N 3.46Å; L125-F127 VanDerWaalsContact C-N 3.35Å; F127-V130 HydrophobicContact CB-CG2 4.47Å
128E98.7Very high98.3Very high52 Ų5245.1 Ų45.124%0.24324%0.24CC..SBendtrans-83-22.4172.1-78.177.1-168.800112.8K7 R39 K153 L321K7-E128 IonicContact NZ-OE1 3.69Å; R39-E128 PolarHBondContact N-OE2 3.32Å; R39-E128 PolarHBondContact O-N 3.13Å; E128-K153 PolarHBondContact O-N 2.82Å; E128-L321 HydrophobicContact CB-CD2 3.66Å
129A98.9Very high98.4Very high0 Ų041.1 Ų41.10%022%0.215CC..EExtended strand (participates in β ladder)trans-146.6147174.100000112.1V40 L41 K153 F155 V317 L321V40-A129 WeakPolarHBondContact CA-O 3.4Å; V40-A129 HydrophobicContact CG1-CB 4.36Å; V40-A129 HydrophobicContact CG2-CB 4.39Å; L41-A129 PolarHBondContact N-O 3.26Å; A129-K153 CarbonylContact C-O 3.56Å; A129-K153 VanDerWaalsContact CA-O 3.22Å; A129-K153 WeakPolarHBondContact CA-O 3.45Å; A129-K153 HydrophobicContact CB-CB 4.13Å; A129-F155 HydrophobicContact CB-CE2 4.22Å; A129-V317 HydrophobicContact CB-CG1 4.45Å; A129-L321 HydrophobicContact CB-CD1 4.5Å; A129-L321 HydrophobicContact CB-CD2 3.99Å; A129-L321 HydrophobicContact CB-CG 4.44Å
130V98.9Very high98.4Very high0 Ų040.3 Ų40.30%021%0.211CC..EExtended strand (participates in β ladder)trans-124.1123.3175.2179.90000109.2L41 F124 F127 L132 V143 I152 K153 V154 F155L41-V130 HydrophobicContact CB-CG1 4.42Å; L41-V130 HydrophobicContact CB-CG2 4.25Å; L41-V130 HydrophobicContact CD2-CG1 3.94Å; L41-V130 HydrophobicContact CD2-CG2 4.29Å; L41-V130 HydrophobicContact CG-CG1 4.36Å; L41-V130 WeakPolarHBondContact O-CA 3.44Å; F124-V130 HydrophobicContact CD1-CG2 4.4Å; F127-V130 HydrophobicContact CB-CG2 4.47Å; V130-L132 HydrophobicContact CG1-CD2 3.79Å; V130-L132 HydrophobicContact CG1-CG 4.12Å; V130-V143 HydrophobicContact CG1-CG1 4Å; V130-I152 HydrophobicContact CG2-CG2 3.96Å; V130-K153 PolarHBondContact N-O 3.48Å; V130-V154 WeakPolarHBondContact O-CA 3.39Å; V130-F155 PolarHBondContact O-N 2.97Å
131C98.9Very high98.4Very high0 Ų038 Ų380%020%0.196CC..EExtended strand (participates in β ladder)trans-109.1121.8175.9-61.80000109.6L41 L42 V43 F155 V317L41-C131 PolarHBondContact O-N 3.33Å; L42-C131 HydrophobicContact CD1-CB 3.62Å; V43-C131 PolarHBondContact N-O 3.22Å; C131-F155 CarbonylContact C-O 3.54Å; C131-F155 WeakPolarHBondContact CA-O 3.31Å; C131-V317 WeakPolarHBondContact SG-CG2 3.46Å
132L98.9Very high98.4Very high0 Ų039.8 Ų39.80%020%0.197CC..EExtended strand (participates in β ladder)trans-110.4120.4-177.9-57.4174.4000110.2V43 V130 C135 M140 V143 V154 F155 C156 G157V43-L132 HydrophobicContact CB-CD2 3.89Å; V43-L132 HydrophobicContact CG1-CD2 4.5Å; V43-L132 HydrophobicContact CG2-CD2 3.68Å; V130-L132 HydrophobicContact CG1-CD2 3.79Å; V130-L132 HydrophobicContact CG1-CG 4.12Å; L132-C135 HydrophobicContact CB-CB 4.4Å; L132-M140 HydrophobicContact CB-CG 4.19Å; L132-M140 HydrophobicContact CD1-CB 4.16Å; L132-M140 HydrophobicContact CD1-CG 3.96Å; L132-V143 HydrophobicContact CD1-CB 3.9Å; L132-V143 HydrophobicContact CD1-CG1 3.95Å; L132-V143 HydrophobicContact CD1-CG2 4.48Å; L132-V143 HydrophobicContact CD2-CG1 4.43Å; L132-V154 HydrophobicContact CD1-CG1 4.49Å; L132-F155 PolarHBondContact N-O 3.3Å; L132-C156 CarbonylContact O-C 3.51Å; L132-C156 VanDerWaalsContact O-CA 3.32Å; L132-C156 WeakPolarHBondContact O-CA 3.14Å; L132-G157 PolarHBondContact O-N 3.43Å
133T98.6Very high98.5Very high5 Ų532 Ų323%0.03116%0.164CC..  trans-128.7149.8172.575.80000109.7L42 V43 G44 L48 C135 G157L42-T133 HydrophobicContact CD1-CG2 4.35Å; V43-T133 PolarHBondContact O-N 2.66Å; V43-T133 PolarHBondContact O-OG1 3.34Å; G44-T133 PolarHBondContact O-OG1 2.9Å; L48-T133 HydrophobicContact CD2-CG2 3.99Å; L48-T133 HydrophobicContact CG-CG2 4.25Å; T133-C135 PolarHBondContact O-N 2.72Å; T133-C135 VanDerWaalsContact O-N 3.1Å; T133-C135 PolarHBondContact O-SG 2.68Å; T133-G157 WeakPolarHBondContact CA-O 3.27Å; T133-G157 WeakPolarHBondContact CB-O 3.45Å
134G97Very high98.5Very high36 Ų3630.8 Ų30.837%0.37116%0.158SC..SBendtrans64.314.1-178.800000114.6D158 R253G134-D158 VanDerWaalsContact CA-OD1 3.26Å; G134-D158 WeakPolarHBondContact CA-OD1 3.42Å; G134-D158 PolarHBondContact N-OD1 2.67Å; G134-R253 VanDerWaalsContact C-NH1 3.31Å
135C98.2Very high98.4Very high6 Ų634.6 Ų34.64%0.04118%0.176CC..  trans-92.1154.2-173.3-69.80000112.1L132 T133 L139 M140 R253L132-C135 HydrophobicContact CB-CB 4.4Å; T133-C135 PolarHBondContact O-N 2.72Å; T133-C135 VanDerWaalsContact O-N 3.1Å; T133-C135 PolarHBondContact O-SG 2.68Å; C135-L139 HydrophobicContact CB-CD2 3.98Å; C135-M140 HydrophobicContact CB-CG 3.62Å; C135-M140 HydrophobicContact CB-SD 4.23Å; C135-R253 WeakPolarHBondContact O-CD 3.41Å; C135-R253 PolarHBondContact O-NH1 2.88Å
136S98Very high98.5Very high38 Ų3831.9 Ų31.927%0.26616%0.162SC..  trans-71.2156.317169.60000111.3D138 L139 M140S136-D138 VanDerWaalsContact C-N 3.29Å; S136-D138 PolarHBondContact O-N 3.09Å; S136-L139 PolarHBondContact O-N 2.98Å; S136-L139 WeakPolarHBondContact OG-CB 3.49Å; S136-L139 PolarHBondContact OG-N 3.2Å; S136-M140 WeakPolarHBondContact O-CG 3.27Å; S136-M140 PolarHBondContact O-N 3.33Å
137R98.2Very high98.5Very high67 Ų6726.8 Ų26.825%0.25314%0.138SC..Hα-helixtrans-53.2-47.5175.3175.4-179.6169172.9-3.8111.6L139 M140 V141 L223 E224R137-L139 VanDerWaalsContact C-N 3.34Å; R137-L139 PolarHBondContact O-N 3.48Å; R137-M140 PolarHBondContact O-N 2.76Å; R137-V141 HydrophobicContact CG-CG2 4.32Å; R137-V141 WeakPolarHBondContact O-CB 3.47Å; R137-V141 WeakPolarHBondContact O-CG2 3.26Å; R137-V141 PolarHBondContact O-N 3.44Å; R137-L223 HydrophobicContact CG-CD1 4.16Å; R137-E224 IonicContact NH2-OE1 2.7Å; R137-E224 PolarHBondContact NH2-OE1 2.95Å
138D98.3Very high98.3Very high113 Ų11328.8 Ų28.860%0.60416%0.156SC*.Hα-helixtrans-62.8-42-175.7-67.5-8.5000112S136 R142S136-D138 VanDerWaalsContact C-N 3.29Å; S136-D138 PolarHBondContact O-N 3.09Å; D138-R142 WeakPolarHBondContact O-CB 3.36Å; D138-R142 PolarHBondContact O-N 3.2Å
139L98.5Very high98.1Very high9 Ų933.5 Ų33.55%0.04718%0.178CC..Hα-helixtrans-65-47176.1177.766.7000111.2V116 E117 C135 S136 R137 V141 R142 V143V116-L139 HydrophobicContact CB-CD2 4.28Å; V116-L139 HydrophobicContact CG1-CD2 3.29Å; V116-L139 HydrophobicContact CG2-CD1 4.33Å; V116-L139 HydrophobicContact CG2-CD2 4.07Å; E117-L139 HydrophobicContact CG-CD1 4.24Å; E117-L139 HydrophobicContact CG-CD2 4.29Å; C135-L139 HydrophobicContact CB-CD2 3.98Å; S136-L139 PolarHBondContact O-N 2.98Å; S136-L139 WeakPolarHBondContact OG-CB 3.49Å; S136-L139 PolarHBondContact OG-N 3.2Å; R137-L139 VanDerWaalsContact C-N 3.34Å; R137-L139 PolarHBondContact O-N 3.48Å; L139-V141 VanDerWaalsContact C-N 3.34Å; L139-V141 PolarHBondContact O-N 2.78Å; L139-R142 PolarHBondContact O-N 2.9Å; L139-V143 HydrophobicContact CD1-CG2 4.01Å; L139-V143 HydrophobicContact CG-CG2 4.42Å; L139-V143 WeakPolarHBondContact O-CG2 3.5Å; L139-V143 PolarHBondContact O-N 2.87Å
140M98.8Very high97.9Very high1 Ų138 Ų381%0.00520%0.199CC..Hα-helixtrans-59.4-46.2179.4-68-172.6-67.600111.3L132 C135 S136 R137 R142 V143 D144 C156 L219 L250L132-M140 HydrophobicContact CB-CG 4.19Å; L132-M140 HydrophobicContact CD1-CB 4.16Å; L132-M140 HydrophobicContact CD1-CG 3.96Å; C135-M140 HydrophobicContact CB-CG 3.62Å; C135-M140 HydrophobicContact CB-SD 4.23Å; S136-M140 WeakPolarHBondContact O-CG 3.27Å; S136-M140 PolarHBondContact O-N 3.33Å; R137-M140 PolarHBondContact O-N 2.76Å; M140-R142 PolarHBondContact O-N 3.32Å; M140-V143 PolarHBondContact O-N 2.86Å; M140-D144 WeakPolarHBondContact O-CB 3.44Å; M140-D144 PolarHBondContact O-N 3.24Å; M140-C156 HydrophobicContact SD-CB 3.7Å; M140-L219 HydrophobicContact CB-CD2 3.48Å; M140-L219 VanDerWaalsContact CB-CD2 3.48Å; M140-L250 HydrophobicContact CE-CD2 3.64Å
141V98.7Very high97.8Very high19 Ų1943.3 Ų43.312%0.11523%0.227CC..Hα-helixtrans-62.8-41.4177.2168.20000111.9R137 L139 Q145 L219 K220R137-V141 HydrophobicContact CG-CG2 4.32Å; R137-V141 WeakPolarHBondContact O-CB 3.47Å; R137-V141 WeakPolarHBondContact O-CG2 3.26Å; R137-V141 PolarHBondContact O-N 3.44Å; L139-V141 VanDerWaalsContact C-N 3.34Å; L139-V141 PolarHBondContact O-N 2.78Å; V141-Q145 WeakPolarHBondContact O-CB 3.42Å; V141-Q145 VanDerWaalsContact O-CG 3.25Å; V141-Q145 WeakPolarHBondContact O-CG 3.28Å; V141-Q145 PolarHBondContact O-N 3.08Å; V141-L219 HydrophobicContact CG2-CD2 4.19Å; V141-L219 HydrophobicContact CG2-CG 4.29Å; V141-K220 HydrophobicContact CG1-CB 3.92Å; V141-K220 HydrophobicContact CG1-CD 4.43Å; V141-K220 HydrophobicContact CG1-CG 4.45Å; V141-K220 HydrophobicContact CG2-CB 4.36Å
142R98.4Very high97.7Very high108 Ų10844 Ų4441%0.40823%0.23SC..Hα-helixtrans-62-50177.3-179.2-157.2169.2168.3-5.5111.4D121 D138 L139 M140 Q145 L146D121-R142 IonicContact OD1-CZ 3.03Å; D121-R142 IonicContact OD1-NE 3.71Å; D121-R142 IonicContact OD1-NH2 2.72Å; D121-R142 PolarHBondContact OD1-NH2 3.44Å; D138-R142 WeakPolarHBondContact O-CB 3.36Å; D138-R142 PolarHBondContact O-N 3.2Å; L139-R142 PolarHBondContact O-N 2.9Å; M140-R142 PolarHBondContact O-N 3.32Å; R142-Q145 PolarHBondContact O-N 2.84Å; R142-L146 PolarHBondContact O-N 2.85Å
143V98.7Very high97.7Very high1 Ų145.1 Ų45.11%0.00624%0.235CC..Hα-helixtrans-66.3-40.8-176.9173.40000110.6F124 V130 L132 L139 M140 L146 C147F124-V143 HydrophobicContact CD1-CG1 4.03Å; F124-V143 HydrophobicContact CE1-CG1 4.08Å; F124-V143 HydrophobicContact CE1-CG2 3.95Å; F124-V143 HydrophobicContact CZ-CG2 3.93Å; V130-V143 HydrophobicContact CG1-CG1 4Å; L132-V143 HydrophobicContact CD1-CB 3.9Å; L132-V143 HydrophobicContact CD1-CG1 3.95Å; L132-V143 HydrophobicContact CD1-CG2 4.48Å; L132-V143 HydrophobicContact CD2-CG1 4.43Å; L139-V143 HydrophobicContact CD1-CG2 4.01Å; L139-V143 HydrophobicContact CG-CG2 4.42Å; L139-V143 WeakPolarHBondContact O-CG2 3.5Å; L139-V143 PolarHBondContact O-N 2.87Å; M140-V143 PolarHBondContact O-N 2.86Å; V143-L146 PolarHBondContact O-N 3.35Å; V143-C147 VanDerWaalsContact O-CB 3.3Å; V143-C147 WeakPolarHBondContact O-CB 3.35Å; V143-C147 PolarHBondContact O-N 2.8Å; V143-C147 PolarHBondContact O-SG 3.24Å
144D98.8Very high97.8Very high1 Ų144.9 Ų44.91%0.00523%0.234CC..Hα-helixtrans-55.4-51.9173-177.766.2000112.1M140 L146 C147 A148 V154 D169 S218 L219M140-D144 WeakPolarHBondContact O-CB 3.44Å; M140-D144 PolarHBondContact O-N 3.24Å; D144-L146 VanDerWaalsContact C-N 3.35Å; D144-L146 PolarHBondContact O-N 3.26Å; D144-C147 PolarHBondContact O-N 2.83Å; D144-A148 WeakPolarHBondContact O-CB 3.39Å; D144-A148 PolarHBondContact O-N 3.14Å; D144-V154 HydrophobicContact CB-CG1 4.26Å; D144-D169 VanDerWaalsContact OD1-CB 3.27Å; D144-D169 WeakPolarHBondContact OD1-CB 3.36Å; D144-S218 VanDerWaalsContact OD2-CA 3.28Å; D144-S218 WeakPolarHBondContact OD2-CA 3.46Å; D144-S218 WeakPolarHBondContact OD2-CB 3.38Å; D144-L219 HydrophobicContact CB-CB 4.27Å; D144-L219 PolarHBondContact OD2-N 3.16Å
145Q98.1Very high97.8Very high82 Ų8243.2 Ų43.238%0.38322%0.217SC..Hα-helixtrans-61.6-39.6178.2-74.2172.31.100113.5V141 R142 Q149V141-Q145 WeakPolarHBondContact O-CB 3.42Å; V141-Q145 VanDerWaalsContact O-CG 3.25Å; V141-Q145 WeakPolarHBondContact O-CG 3.28Å; V141-Q145 PolarHBondContact O-N 3.08Å; R142-Q145 PolarHBondContact O-N 2.84Å; Q145-Q149 WeakPolarHBondContact O-CG 3.21Å; Q145-Q149 PolarHBondContact O-NE2 3.15Å
146L98.3Very high97.9Very high17 Ų1743 Ų439%0.08922%0.215CC..Hα-helixtrans-64-50.7175.317364.7000110.5D121 F124 R142 V143 D144 A148 Q149 H150D121-L146 HydrophobicContact CB-CD1 3.87Å; D121-L146 HydrophobicContact CB-CD2 3.67Å; D121-L146 HydrophobicContact CB-CG 4.44Å; F124-L146 HydrophobicContact CB-CD2 4.14Å; F124-L146 HydrophobicContact CD2-CD2 3.69Å; F124-L146 HydrophobicContact CE2-CD2 4.48Å; F124-L146 HydrophobicContact CG-CD2 4.16Å; R142-L146 PolarHBondContact O-N 2.85Å; V143-L146 PolarHBondContact O-N 3.35Å; D144-L146 VanDerWaalsContact C-N 3.35Å; D144-L146 PolarHBondContact O-N 3.26Å; L146-A148 VanDerWaalsContact C-N 3.32Å; L146-A148 PolarHBondContact O-N 3.03Å; L146-Q149 PolarHBondContact O-N 3Å; L146-H150 PolarHBondContact O-CD2 3.26Å
147C98.2Very high97.9Very high0 Ų041.1 Ų41.10%020%0.202CC..Hα-helixtrans-64.5-36-176-71.20000112.7V143 D144 Q149 H150 N151 I152 V154V143-C147 VanDerWaalsContact O-CB 3.3Å; V143-C147 WeakPolarHBondContact O-CB 3.35Å; V143-C147 PolarHBondContact O-N 2.8Å; V143-C147 PolarHBondContact O-SG 3.24Å; D144-C147 PolarHBondContact O-N 2.83Å; C147-Q149 PolarHBondContact O-N 3.39Å; C147-H150 CarbonylContact O-C 3.51Å; C147-H150 PolarHBondContact O-N 3.41Å; C147-N151 PolarHBondContact O-N 2.81Å; C147-I152 HydrophobicContact CB-CB 3.76Å; C147-I152 HydrophobicContact CB-CG2 4.05Å; C147-I152 PolarHBondContact O-N 2.89Å; C147-V154 HydrophobicContact CB-CG2 3.25Å
148A94.3Very high97.9Very high49 Ų4938.1 Ų38.141%0.40519%0.191SC..Hα-helixtrans-57.8-33.9176.700000112.9D144 L146 H150D144-A148 WeakPolarHBondContact O-CB 3.39Å; D144-A148 PolarHBondContact O-N 3.14Å; L146-A148 VanDerWaalsContact C-N 3.32Å; L146-A148 PolarHBondContact O-N 3.03Å; A148-H150 PolarHBondContact O-N 2.89Å
149Q94.6Very high98Very high152 Ų15232.9 Ų32.971%0.7116%0.163SC*.THydrogen-bonded Turntrans-72.3-15.5178.4-62.817227.400113.2Q145 L146 C147Q145-Q149 WeakPolarHBondContact O-CG 3.21Å; Q145-Q149 PolarHBondContact O-NE2 3.15Å; L146-Q149 PolarHBondContact O-N 3Å; C147-Q149 PolarHBondContact O-N 3.39Å
150H96.6Very high98Very high95 Ų9532.8 Ų32.844%0.4416%0.162SC..THydrogen-bonded Turntrans-120.511.3-173.9-67.4-78.7000113.4L125 L146 C147 A148 I152L125-H150 HydrophobicContact CD2-CB 3.93Å; L125-H150 WeakPolarHBondContact CD2-CD2 3.34Å; L125-H150 VanDerWaalsContact CD2-CG 3.48Å; L146-H150 PolarHBondContact O-CD2 3.26Å; C147-H150 CarbonylContact O-C 3.51Å; C147-H150 PolarHBondContact O-N 3.41Å; A148-H150 PolarHBondContact O-N 2.89Å; H150-I152 HydrophobicContact CB-CD1 3.84Å; H150-I152 HydrophobicContact CB-CG1 4.03Å; H150-I152 PolarHBondContact O-N 3.07Å
151N95.1Very high97.9Very high111 Ų11132.8 Ų32.859%0.59416%0.163SC*.THydrogen-bonded Turntrans56.434.5-177.7-165.729.1000113.2C147C147-N151 PolarHBondContact O-N 2.81Å
152I98.6Very high97.9Very high13 Ų1336.3 Ų36.37%0.06717%0.174CC..  trans-94.8131.2175.4-60170.1000107.5L125 V130 C147 H150L125-I152 HydrophobicContact CD2-CD1 3.87Å; V130-I152 HydrophobicContact CG2-CG2 3.96Å; C147-I152 HydrophobicContact CB-CB 3.76Å; C147-I152 HydrophobicContact CB-CG2 4.05Å; C147-I152 PolarHBondContact O-N 2.89Å; H150-I152 HydrophobicContact CB-CD1 3.84Å; H150-I152 HydrophobicContact CB-CG1 4.03Å; H150-I152 PolarHBondContact O-N 3.07Å
153K98.8Very high97.9Very high24 Ų2432.1 Ų32.110%0.10416%0.159CC..EExtended strand (participates in β ladder)trans-79.8133.8-175.6-59.2162.8-17265.60109.2E128 A129 V130 F155 L170 A320 L321E128-K153 PolarHBondContact O-N 2.82Å; A129-K153 CarbonylContact C-O 3.56Å; A129-K153 VanDerWaalsContact CA-O 3.22Å; A129-K153 WeakPolarHBondContact CA-O 3.45Å; A129-K153 HydrophobicContact CB-CB 4.13Å; V130-K153 PolarHBondContact N-O 3.48Å; K153-F155 HydrophobicContact CB-CE2 3.84Å; K153-F155 HydrophobicContact CB-CZ 4.47Å; K153-L170 HydrophobicContact CB-CD2 3.92Å; K153-L170 HydrophobicContact CD-CD2 4.44Å; K153-L170 HydrophobicContact CG-CD2 4.07Å; K153-A320 HydrophobicContact CD-CB 3.71Å; K153-A320 WeakPolarHBondContact CE-O 3.15Å; K153-L321 HydrophobicContact CD-CD2 4.15Å
154V98.9Very high98Very high1 Ų132.2 Ų32.21%0.00616%0.161CC..EExtended strand (participates in β ladder)trans-116.2135.7179.9177.80000110.5V130 L132 D144 C147 S168 D169V130-V154 WeakPolarHBondContact O-CA 3.39Å; L132-V154 HydrophobicContact CD1-CG1 4.49Å; D144-V154 HydrophobicContact CB-CG1 4.26Å; C147-V154 HydrophobicContact CB-CG2 3.25Å; V154-S168 CarbonylContact O-C 3.57Å; V154-S168 WeakPolarHBondContact O-CA 3.39Å; V154-D169 PolarHBondContact N-O 3.23Å; V154-D169 PolarHBondContact O-N 2.78Å
155F98.9Very high98Very high1 Ų132.5 Ų32.50%0.00416%0.162CC..EExtended strand (participates in β ladder)trans-127.9137173.8-58.8-92.8000108.6A129 V130 C131 L132 K153 M166 F167 L170 L313 E316 V317 A320A129-F155 HydrophobicContact CB-CE2 4.22Å; V130-F155 PolarHBondContact O-N 2.97Å; C131-F155 CarbonylContact C-O 3.54Å; C131-F155 WeakPolarHBondContact CA-O 3.31Å; L132-F155 PolarHBondContact N-O 3.3Å; K153-F155 HydrophobicContact CB-CE2 3.84Å; K153-F155 HydrophobicContact CB-CZ 4.47Å; F155-M166 HydrophobicContact CD1-CE 3.99Å; F155-M166 HydrophobicContact CE1-CE 4.5Å; F155-F167 VanDerWaalsContact CA-O 3.26Å; F155-F167 WeakPolarHBondContact CA-O 3.26Å; F155-L170 HydrophobicContact CE1-CD2 4.02Å; F155-L170 HydrophobicContact CE2-CD2 4.19Å; F155-L170 HydrophobicContact CZ-CD2 3.54Å; F155-L313 HydrophobicContact CB-CD2 4.39Å; F155-E316 HydrophobicContact CE1-CB 4.08Å; F155-V317 HydrophobicContact CB-CG2 4.47Å; F155-V317 HydrophobicContact CD1-CG2 4.05Å; F155-V317 HydrophobicContact CD2-CG2 3.62Å; F155-V317 HydrophobicContact CE1-CG2 4.14Å; F155-V317 HydrophobicContact CE2-CB 4.27Å; F155-V317 HydrophobicContact CE2-CG1 4.47Å; F155-V317 HydrophobicContact CE2-CG2 3.74Å; F155-V317 HydrophobicContact CG-CG2 3.78Å; F155-V317 HydrophobicContact CZ-CB 4.34Å; F155-V317 HydrophobicContact CZ-CG2 3.99Å; F155-A320 HydrophobicContact CZ-CB 3.79Å
156C98.9Very high98Very high0 Ų028.7 Ų28.70%014%0.144CC..EExtended strand (participates in β ladder)trans-123.2149.7170.8-57.10000108.7L132 M140 Y165 M166 F167L132-C156 CarbonylContact O-C 3.51Å; L132-C156 VanDerWaalsContact O-CA 3.32Å; L132-C156 WeakPolarHBondContact O-CA 3.14Å; M140-C156 HydrophobicContact SD-CB 3.7Å; C156-Y165 HydrophobicContact CB-CE2 4.46Å; C156-M166 CarbonylContact O-C 3.59Å; C156-M166 WeakPolarHBondContact O-CA 3.35Å; C156-F167 HydrophobicContact CB-CB 4.18Å; C156-F167 HydrophobicContact CB-CD1 4.42Å; C156-F167 PolarHBondContact N-O 3.06Å; C156-F167 PolarHBondContact O-N 2.99Å
157G98.8Very high98Very high0 Ų027.9 Ų27.90%014%0.14CC..EExtended strand (participates in β ladder)trans-171151.1172.600000112.8L48 L132 T133 Y165L48-G157 VanDerWaalsContact CD2-C 3.44Å; L48-G157 WeakPolarHBondContact CD2-O 3.5Å; L132-G157 PolarHBondContact O-N 3.43Å; T133-G157 WeakPolarHBondContact CA-O 3.27Å; T133-G157 WeakPolarHBondContact CB-O 3.45Å; G157-Y165 WeakPolarHBondContact CA-O 3.25Å
158D98.8Very high98Very high3 Ų327.9 Ų27.92%0.01614%0.14CC..EExtended strand (participates in β ladder)trans-147166.9172.4-68.4-80.1000110.4G134 F160 G164 Y165 R253G134-D158 VanDerWaalsContact CA-OD1 3.26Å; G134-D158 WeakPolarHBondContact CA-OD1 3.42Å; G134-D158 PolarHBondContact N-OD1 2.67Å; D158-F160 HydrophobicContact CB-CD2 4.17Å; D158-F160 HydrophobicContact CB-CE2 3.44Å; D158-F160 VanDerWaalsContact CB-CE2 3.44Å; D158-F160 HydrophobicContact CB-CZ 3.64Å; D158-G164 VanDerWaalsContact O-CA 3.23Å; D158-G164 WeakPolarHBondContact O-CA 3.47Å; D158-Y165 HydrophobicContact CB-CD1 4.31Å; D158-Y165 HydrophobicContact CB-CE1 3.67Å; D158-Y165 PolarHBondContact N-O 2.97Å; D158-Y165 PolarHBondContact O-N 3.1Å; D158-Y165 PolarHBondContact OD2-OH 3.21Å; D158-Y165 VanDerWaalsContact OD2-OH 3.14Å; D158-R253 VanDerWaalsContact CG-NH1 3.34Å; D158-R253 IonicContact OD1-CZ 2.78Å; D158-R253 IonicContact OD1-NH1 2.76Å; D158-R253 PolarHBondContact OD1-NH1 3.26Å; D158-R253 VanDerWaalsContact OD1-NH1 3.16Å; D158-R253 IonicContact OD1-NH2 3.92Å; D158-R253 PolarHBondContact OD1-NH2 2.91Å; D158-R253 IonicContact OD2-CZ 3.36Å; D158-R253 IonicContact OD2-NH1 2.68Å; D158-R253 PolarHBondContact OD2-NH1 2.89Å; D158-R253 IonicContact OD2-NH2 3.95Å
159V98.8Very high98.2Very high3 Ų325.9 Ų25.92%0.01812%0.123CC..EExtended strand (participates in β ladder)trans-121.5135170.8170.80000108.9L48 H163 E301 V305 V309L48-V159 HydrophobicContact CB-CG2 4.32Å; L48-V159 HydrophobicContact CD1-CG2 4.4Å; L48-V159 HydrophobicContact CD2-CG2 4.41Å; V159-H163 WeakPolarHBondContact CA-O 3.45Å; V159-E301 HydrophobicContact CB-CG 4.3Å; V159-E301 HydrophobicContact CG1-CG 4.47Å; V159-V305 HydrophobicContact CB-CG1 4.37Å; V159-V305 HydrophobicContact CG1-CB 3.79Å; V159-V305 HydrophobicContact CG1-CG1 3.56Å; V159-V305 HydrophobicContact CG2-CG1 3.96Å; V159-V309 HydrophobicContact CG2-CB 4.15Å; V159-V309 HydrophobicContact CG2-CG2 4.19Å
160F98.4Very high98.4Very high8 Ų818.8 Ų18.84%0.0359%0.089CC..EExtended strand (participates in β ladder)trans-135.8100.7176.4-55.4-83.9000108.6D158 Y162 H163 Y165 L249 D259 C298D158-F160 HydrophobicContact CB-CD2 4.17Å; D158-F160 HydrophobicContact CB-CE2 3.44Å; D158-F160 VanDerWaalsContact CB-CE2 3.44Å; D158-F160 HydrophobicContact CB-CZ 3.64Å; F160-Y162 PolarHBondContact O-N 3.32Å; F160-H163 CarbonylContact C-O 3.45Å; F160-H163 PolarHBondContact N-O 2.92Å; F160-H163 PolarHBondContact O-N 3.16Å; F160-Y165 HydrophobicContact CE2-CD1 4.48Å; F160-Y165 HydrophobicContact CE2-CE1 4.19Å; F160-L249 HydrophobicContact CB-CD1 3.75Å; F160-L249 HydrophobicContact CD1-CD1 4.09Å; F160-L249 HydrophobicContact CD1-CD2 4.19Å; F160-L249 HydrophobicContact CD2-CD1 3.55Å; F160-L249 HydrophobicContact CE1-CB 4.26Å; F160-L249 HydrophobicContact CE2-CB 4.27Å; F160-L249 HydrophobicContact CE2-CD1 4.06Å; F160-L249 HydrophobicContact CG-CD1 3.55Å; F160-L249 HydrophobicContact CG-CD2 4.4Å; F160-L249 HydrophobicContact CG-CG 4.43Å; F160-L249 HydrophobicContact CZ-CB 4.13Å; F160-D259 HydrophobicContact CE1-CB 4.47Å; F160-C298 HydrophobicContact CB-CB 4.34Å; F160-C298 WeakPolarHBondContact O-CA 3.43Å
161G98.1Very high98.4Very high1 Ų114.9 Ų14.91%0.018%0.075CC..BIsolated β-bridgetrans57-120.5-174.300000112H163 F299 S300 M302 V305G161-H163 VanDerWaalsContact C-N 3.26Å; G161-F299 WeakPolarHBondContact CA-O 3.47Å; G161-F299 PolarHBondContact N-O 3.41Å; G161-S300 PolarHBondContact N-O 3.16Å; G161-M302 WeakPolarHBondContact O-CG 3.42Å; G161-V305 WeakPolarHBondContact O-CG2 3.37Å
162Y98.6Very high98.3Very high92 Ų9215.6 Ų15.636%0.3618%0.075SC..THydrogen-bonded Turntrans-81.1-5.5178.3-71.7-87.8000113.5F160 Y297 M302 G336 M337F160-Y162 PolarHBondContact O-N 3.32Å; Y162-Y297 HydrophobicContact CD2-CD1 4.4Å; Y162-Y297 PolarHBondContact N-O 2.81Å; Y162-M302 HydrophobicContact CD1-SD 3.76Å; Y162-M302 HydrophobicContact CD2-SD 3.64Å; Y162-M302 HydrophobicContact CE1-CE 3.93Å; Y162-M302 HydrophobicContact CE1-SD 3.64Å; Y162-M302 HydrophobicContact CE2-CE 3.96Å; Y162-M302 HydrophobicContact CE2-SD 3.51Å; Y162-M302 VanDerWaalsContact CE2-SD 3.51Å; Y162-M302 HydrophobicContact CG-SD 3.77Å; Y162-M302 VanDerWaalsContact CZ-SD 3.52Å; Y162-G336 WeakPolarHBondContact O-CA 3.05Å; Y162-G336 PolarHBondContact O-N 3.43Å; Y162-M337 HydrophobicContact CD1-CG 4.27Å; Y162-M337 HydrophobicContact CD1-SD 3.61Å; Y162-M337 HydrophobicContact CD2-CG 4.36Å; Y162-M337 HydrophobicContact CD2-SD 3.78Å; Y162-M337 HydrophobicContact CE1-SD 3.84Å; Y162-M337 HydrophobicContact CE2-SD 4Å; Y162-M337 HydrophobicContact CG-CG 3.9Å; Y162-M337 HydrophobicContact CG-SD 3.57Å; Y162-M337 VanDerWaalsContact CG-SD 3.57Å
163H98.8Very high98.1Very high20 Ų2022 Ų229%0.09310%0.104CC..EExtended strand (participates in β ladder)trans-107.8154.7-175.7-57.981.9000111.1V159 F160 G161 D242 L245 Y297 F334 D335V159-H163 WeakPolarHBondContact CA-O 3.45Å; F160-H163 CarbonylContact C-O 3.45Å; F160-H163 PolarHBondContact N-O 2.92Å; F160-H163 PolarHBondContact O-N 3.16Å; G161-H163 VanDerWaalsContact C-N 3.26Å; H163-D242 IonicContact CD2-OD1 3.32Å; H163-D242 PolarHBondContact CD2-OD1 2.82Å; H163-D242 VanDerWaalsContact CD2-OD1 3.27Å; H163-L245 HydrophobicContact CB-CD2 3.9Å; H163-Y297 PolarHBondContact ND1-O 2.85Å; H163-F334 CarbonylContact C-O 3.43Å; H163-F334 VanDerWaalsContact CA-O 3.25Å; H163-F334 WeakPolarHBondContact CA-O 3.38Å; H163-D335 IonicContact NE2-OD1 2.67Å; H163-D335 IonicContact NE2-OD2 2.62Å
164G98.8Very high98.1Very high4 Ų421.1 Ų21.14%0.04110%0.1CC..EExtended strand (participates in β ladder)trans-164165.9167.800000112D158 F334D158-G164 VanDerWaalsContact O-CA 3.23Å; D158-G164 WeakPolarHBondContact O-CA 3.47Å; G164-F334 PolarHBondContact N-O 3.17Å; G164-F334 PolarHBondContact O-N 3.22Å
165Y98.9Very high98Very high6 Ų624.7 Ų24.72%0.02412%0.12CC..EExtended strand (participates in β ladder)trans-140.5158.9-179.480.3-78.1000111.4C156 G157 D158 F160 F167 L246 V309 F331 F332C156-Y165 HydrophobicContact CB-CE2 4.46Å; G157-Y165 WeakPolarHBondContact CA-O 3.25Å; D158-Y165 HydrophobicContact CB-CD1 4.31Å; D158-Y165 HydrophobicContact CB-CE1 3.67Å; D158-Y165 PolarHBondContact N-O 2.97Å; D158-Y165 PolarHBondContact O-N 3.1Å; D158-Y165 PolarHBondContact OD2-OH 3.21Å; D158-Y165 VanDerWaalsContact OD2-OH 3.14Å; F160-Y165 HydrophobicContact CE2-CD1 4.48Å; F160-Y165 HydrophobicContact CE2-CE1 4.19Å; Y165-F167 HydrophobicContact CE2-CB 4.5Å; Y165-L246 HydrophobicContact CD1-CD1 3.6Å; Y165-L246 HydrophobicContact CD2-CD1 4.34Å; Y165-L246 HydrophobicContact CD2-CD2 3.94Å; Y165-L246 HydrophobicContact CE1-CD1 3.29Å; Y165-L246 HydrophobicContact CE2-CD1 4.1Å; Y165-L246 HydrophobicContact CE2-CD2 4.04Å; Y165-L246 HydrophobicContact CG-CD1 4.12Å; Y165-L246 HydrophobicContact CG-CD2 4.19Å; Y165-V309 WeakPolarHBondContact O-CG1 3.49Å; Y165-F331 HydrophobicContact CD2-CD1 4.07Å; Y165-F331 AromaticContact CD2-CE1 3.81Å; Y165-F331 HydrophobicContact CD2-CE1 3.81Å; Y165-F331 HydrophobicContact CE2-CE1 4.16Å; Y165-F332 CarbonylContact C-O 3.55Å; Y165-F332 WeakPolarHBondContact CA-O 3.32Å
166M98.8Very high97.9Very high2 Ų225.9 Ų25.91%0.0112%0.124CC..EExtended strand (participates in β ladder)trans-130.6152.3155.166.6164.4-58.700110.6F155 C156 V312 L313 E316 F331 F332F155-M166 HydrophobicContact CD1-CE 3.99Å; F155-M166 HydrophobicContact CE1-CE 4.5Å; C156-M166 CarbonylContact O-C 3.59Å; C156-M166 WeakPolarHBondContact O-CA 3.35Å; M166-V312 HydrophobicContact SD-CB 4.48Å; M166-V312 HydrophobicContact SD-CG1 3.6Å; M166-V312 VanDerWaalsContact SD-CG1 3.6Å; M166-L313 HydrophobicContact CB-CB 4.24Å; M166-L313 HydrophobicContact CB-CD1 4.11Å; M166-L313 HydrophobicContact CB-CG 4.24Å; M166-L313 HydrophobicContact CE-CB 4.45Å; M166-L313 HydrophobicContact CE-CG 4.36Å; M166-L313 HydrophobicContact SD-CB 4.26Å; M166-E316 HydrophobicContact CE-CB 3.57Å; M166-E316 HydrophobicContact CE-CG 3.71Å; M166-E316 HydrophobicContact SD-CB 4.19Å; M166-E316 HydrophobicContact SD-CG 3.74Å; M166-F331 CarbonylContact O-C 3.52Å; M166-F331 VanDerWaalsContact O-CA 3.31Å; M166-F331 WeakPolarHBondContact O-CA 3.35Å; M166-F331 WeakPolarHBondContact O-CD1 3.38Å; M166-F332 HydrophobicContact CG-CB 3.6Å; M166-F332 HydrophobicContact CG-CD1 3.96Å; M166-F332 HydrophobicContact CG-CG 4.21Å; M166-F332 PolarHBondContact N-O 2.96Å; M166-F332 PolarHBondContact O-N 3.17Å; M166-F332 HydrophobicContact SD-CB 4.27Å
167F98.9Very high97.8Very high0 Ų027.3 Ų27.30%013%0.133CC..EExtended strand (participates in β ladder)trans-122.4150.2170.2169.1-98.3000109.5F155 C156 Y165 D169 L219 A222 N330 F331F155-F167 VanDerWaalsContact CA-O 3.26Å; F155-F167 WeakPolarHBondContact CA-O 3.26Å; C156-F167 HydrophobicContact CB-CB 4.18Å; C156-F167 HydrophobicContact CB-CD1 4.42Å; C156-F167 PolarHBondContact N-O 3.06Å; C156-F167 PolarHBondContact O-N 2.99Å; Y165-F167 HydrophobicContact CE2-CB 4.5Å; F167-D169 HydrophobicContact CE1-CB 3.85Å; F167-D169 HydrophobicContact CZ-CB 3.94Å; F167-L219 HydrophobicContact CB-CD1 4.36Å; F167-L219 HydrophobicContact CD1-CB 4.21Å; F167-L219 HydrophobicContact CD1-CD1 3.78Å; F167-L219 HydrophobicContact CD1-CG 4.45Å; F167-L219 HydrophobicContact CD2-CD1 3.9Å; F167-L219 HydrophobicContact CE1-CB 3.64Å; F167-L219 HydrophobicContact CE1-CD1 4.01Å; F167-L219 HydrophobicContact CE1-CG 4.35Å; F167-L219 HydrophobicContact CE2-CB 4.46Å; F167-L219 HydrophobicContact CE2-CD1 4.08Å; F167-L219 HydrophobicContact CG-CD1 3.72Å; F167-L219 VanDerWaalsContact CZ-CA 3.43Å; F167-L219 HydrophobicContact CZ-CB 3.78Å; F167-L219 HydrophobicContact CZ-CD1 4.15Å; F167-A222 HydrophobicContact CE2-CB 3.81Å; F167-N330 CarbonylContact C-O 3.57Å; F167-N330 VanDerWaalsContact CA-O 3.27Å; F167-N330 WeakPolarHBondContact CA-O 3.37Å; F167-N330 HydrophobicContact CD2-CB 4.46Å; F167-N330 HydrophobicContact CE2-CB 4.22Å; F167-N330 WeakPolarHBondContact CE2-ND2 3.37Å; F167-F331 HydrophobicContact CB-CD1 4.01Å; F167-F331 HydrophobicContact CB-CE1 3.66Å; F167-F331 HydrophobicContact CB-CZ 3.96Å; F167-F331 HydrophobicContact CD2-CD1 4.4Å; F167-F331 AromaticContact CD2-CD2 3.79Å; F167-F331 HydrophobicContact CD2-CD2 3.79Å; F167-F331 HydrophobicContact CD2-CE1 4.04Å; F167-F331 AromaticContact CD2-CE2 3.4Å; F167-F331 HydrophobicContact CD2-CE2 3.4Å; F167-F331 VanDerWaalsContact CD2-CE2 3.4Å; F167-F331 HydrophobicContact CD2-CG 4.3Å; F167-F331 AromaticContact CD2-CZ 3.53Å; F167-F331 HydrophobicContact CD2-CZ 3.53Å; F167-F331 HydrophobicContact CE2-CD2 4.48Å; F167-F331 AromaticContact CE2-CE2 4Å; F167-F331 HydrophobicContact CE2-CE2 4Å; F167-F331 HydrophobicContact CE2-CZ 4.39Å; F167-F331 HydrophobicContact CG-CE1 4.25Å; F167-F331 HydrophobicContact CG-CE2 4.35Å; F167-F331 HydrophobicContact CG-CZ 4.05Å
168S98.6Very high97.5Very high1 Ų129.5 Ų29.51%0.00714%0.143CC..EExtended strand (participates in β ladder)trans-134.7135.4170.357.40000112.8V154 F216 H328 N330V154-S168 CarbonylContact O-C 3.57Å; V154-S168 WeakPolarHBondContact O-CA 3.39Å; S168-F216 VanDerWaalsContact O-CD1 3.32Å; S168-F216 WeakPolarHBondContact O-CD1 3.32Å; S168-F216 WeakPolarHBondContact OG-CE1 3.43Å; S168-H328 PolarHBondContact OG-O 3.26Å; S168-H328 VanDerWaalsContact OG-O 3.12Å; S168-N330 PolarHBondContact N-O 3.29Å; S168-N330 WeakPolarHBondContact O-CB 3.36Å
169D98.6Very high97Very high7 Ų733.2 Ų33.24%0.03716%0.16CC..EExtended strand (participates in β ladder)trans-121.3113.4160.2-171-4.8000109D144 V154 F167 G171 F216 S218D144-D169 VanDerWaalsContact OD1-CB 3.27Å; D144-D169 WeakPolarHBondContact OD1-CB 3.36Å; V154-D169 PolarHBondContact N-O 3.23Å; V154-D169 PolarHBondContact O-N 2.78Å; F167-D169 HydrophobicContact CE1-CB 3.85Å; F167-D169 HydrophobicContact CZ-CB 3.94Å; D169-G171 PolarHBondContact OD1-N 2.89Å; D169-F216 VanDerWaalsContact OD1-CB 3.28Å; D169-F216 WeakPolarHBondContact OD1-CB 3.42Å; D169-S218 WeakPolarHBondContact OD2-CA 3.41Å
170L98.5Very high96.5Very high2 Ų236.9 Ų36.91%0.0118%0.176CC..  trans-105.810.3180-48.2-174.8000112.6K153 F155 H174 F216 A320 P327K153-L170 HydrophobicContact CB-CD2 3.92Å; K153-L170 HydrophobicContact CD-CD2 4.44Å; K153-L170 HydrophobicContact CG-CD2 4.07Å; F155-L170 HydrophobicContact CE1-CD2 4.02Å; F155-L170 HydrophobicContact CE2-CD2 4.19Å; F155-L170 HydrophobicContact CZ-CD2 3.54Å; L170-H174 HydrophobicContact CB-CB 3.79Å; L170-H174 HydrophobicContact CD1-CB 4.49Å; L170-F216 HydrophobicContact CB-CD2 3.67Å; L170-F216 HydrophobicContact CB-CE2 3.81Å; L170-F216 HydrophobicContact CB-CG 4.1Å; L170-F216 HydrophobicContact CB-CZ 4.33Å; L170-F216 HydrophobicContact CD1-CD2 4.4Å; L170-F216 HydrophobicContact CD1-CE1 4.26Å; L170-F216 HydrophobicContact CD1-CE2 3.68Å; L170-F216 HydrophobicContact CD1-CZ 3.61Å; L170-F216 HydrophobicContact CG-CD1 4.32Å; L170-F216 HydrophobicContact CG-CD2 4.08Å; L170-F216 HydrophobicContact CG-CE1 4.08Å; L170-F216 HydrophobicContact CG-CE2 3.84Å; L170-F216 HydrophobicContact CG-CG 4.33Å; L170-F216 HydrophobicContact CG-CZ 3.85Å; L170-A320 HydrophobicContact CD1-CB 3.85Å; L170-A320 HydrophobicContact CD2-CB 3.74Å; L170-A320 HydrophobicContact CG-CB 4.46Å; L170-P327 HydrophobicContact CD1-CB 3.64Å; L170-P327 HydrophobicContact CD1-CG 3.72Å
171G95.8Very high95.8Very high13 Ų1339.9 Ų39.913%0.13420%0.197CC..  trans88176.5-177.600000114.4D169 E173 F216D169-G171 PolarHBondContact OD1-N 2.89Å; G171-E173 VanDerWaalsContact C-N 3.27Å; G171-E173 PolarHBondContact O-N 3.37Å; G171-F216 PolarHBondContact O-N 3.2Å
172Q93.4Very high94.9Very high126 Ų12643.7 Ų43.759%0.58921%0.213SC*.SBendtrans-68.5-25.3179.7-64.1-57.7-5600113S215 F216Q172-S215 WeakPolarHBondContact O-CA 3.38Å; Q172-S215 WeakPolarHBondContact O-CB 3.2Å; Q172-S215 PolarHBondContact O-OG 3.21Å; Q172-S215 PolarHBondContact OE1-OG 2.99Å; Q172-F216 PolarHBondContact NE2-O 3.4Å
173E94.9Very high93.9Very high147 Ų14743.4 Ų43.469%0.68722%0.221SC*.  trans-134.276.7-177-65.2-171.7174.300111.4G171 N175 T213G171-E173 VanDerWaalsContact C-N 3.27Å; G171-E173 PolarHBondContact O-N 3.37Å; E173-N175 PolarHBondContact O-N 3.27Å; E173-T213 HydrophobicContact CB-CG2 4.31Å
174H97.4Very high92.6Very high6 Ų645.7 Ų45.73%0.02824%0.236CC..EExtended strand (participates in β ladder)trans-86.5105.1171.1-172.669.6000111L170 T213 A214 F216 A320L170-H174 HydrophobicContact CB-CB 3.79Å; L170-H174 HydrophobicContact CD1-CB 4.49Å; H174-T213 CarbonylContact O-C 3.55Å; H174-T213 WeakPolarHBondContact O-CA 3.29Å; H174-A214 WeakPolarHBondContact CA-O 3.33Å; H174-A214 WeakPolarHBondContact CB-O 3.32Å; H174-A214 PolarHBondContact N-O 2.97Å; H174-A214 PolarHBondContact O-N 3.29Å; H174-F216 HydrophobicContact CB-CD2 4.35Å; H174-F216 HydrophobicContact CB-CE2 4.22Å; H174-A320 PolarHBondContact CE1-O 3.45Å
175N97.6Very high90.8Very high77 Ų7754 Ų5441%0.41227%0.271SS..EExtended strand (participates in β ladder)trans-87.4131.2176.4-64.6-59.5000111.3E173 K212 T213 Q323E173-N175 PolarHBondContact O-N 3.27Å; N175-K212 WeakPolarHBondContact CA-O 3.4Å; N175-T213 WeakPolarHBondContact OD1-CG2 3.42Å; N175-T213 PolarHBondContact OD1-OG1 3.34Å; N175-Q323 WeakPolarHBondContact O-CB 3.25Å; N175-Q323 WeakPolarHBondContact O-CG 3.13Å; N175-Q323 PolarHBondContact O-NE2 3.27Å
176Y97.1Very high88.8Confident25 Ų2556.3 Ų56.310%0.09829%0.287CS..EExtended strand (participates in β ladder)trans-144.2163.9177.868.2-82000111.6E178 K212 A214 Q323 D325 A326Y176-E178 HydrophobicContact CE2-CB 4.28Å; Y176-K212 HydrophobicContact CD1-CB 4.15Å; Y176-K212 HydrophobicContact CD2-CB 4.34Å; Y176-K212 HydrophobicContact CE1-CB 3.62Å; Y176-K212 HydrophobicContact CE2-CB 3.85Å; Y176-K212 HydrophobicContact CE2-CD 3.89Å; Y176-K212 HydrophobicContact CE2-CG 4.46Å; Y176-K212 HydrophobicContact CG-CB 4.5Å; Y176-K212 VanDerWaalsContact CZ-CB 3.48Å; Y176-K212 PolarHBondContact N-O 3.32Å; Y176-K212 PolarHBondContact O-N 3.49Å; Y176-K212 WeakPolarHBondContact OH-CD 3.49Å; Y176-A214 HydrophobicContact CE1-CB 4.02Å; Y176-Q323 CarbonylContact C-O 3.6Å; Y176-Q323 VanDerWaalsContact CA-O 3.28Å; Y176-Q323 WeakPolarHBondContact CA-O 3.4Å; Y176-D325 VanDerWaalsContact CD2-C 3.47Å; Y176-D325 WeakPolarHBondContact CD2-O 3.27Å; Y176-A326 VanDerWaalsContact CE2-CA 3.43Å; Y176-A326 HydrophobicContact CE2-CB 3.76Å
177V95.4Very high86.7Confident30 Ų3065.3 Ų65.318%0.18233%0.325CS..EExtended strand (participates in β ladder)trans-109138.1172.5-660000110.7M209 I210 K211 Q323 R324 D325V177-M209 HydrophobicContact CB-CE 4Å; V177-M209 HydrophobicContact CG2-CE 3.51Å; V177-I210 WeakPolarHBondContact CA-O 3.38Å; V177-K211 HydrophobicContact CG1-CG 4.09Å; V177-Q323 WeakPolarHBondContact CG2-O 3.45Å; V177-Q323 PolarHBondContact N-O 3.22Å; V177-R324 HydrophobicContact CG2-CB 4.33Å; V177-R324 HydrophobicContact CG2-CG 4.39Å; V177-D325 PolarHBondContact O-N 2.74Å
178E93.4Very high84.5Confident47 Ų4771.4 Ų71.422%0.2236%0.363CS..EExtended strand (participates in β ladder)trans-122132.3173.2-172.8-175.9-138.900108.9Y176 K180 I210 K212Y176-E178 HydrophobicContact CE2-CB 4.28Å; E178-K180 WeakPolarHBondContact OE2-CE 3.4Å; E178-K180 IonicContact OE2-NZ 3.81Å; E178-I210 PolarHBondContact N-O 3.27Å; E178-I210 PolarHBondContact O-N 2.89Å; E178-K212 HydrophobicContact CB-CD 4.47Å; E178-K212 IonicContact OE1-NZ 2.86Å; E178-K212 WeakPolarHBondContact OE2-CE 3.31Å; E178-K212 IonicContact OE2-NZ 2.83Å; E178-K212 PolarHBondContact OE2-NZ 2.92Å
179E88.9Confident82.2Confident80 Ų8077.3 Ų77.337%0.37440%0.395SS..EExtended strand (participates in β ladder)trans-80.3125.3175.7-168.9167.6174.800109.8T207 M209 R324E179-T207 HydrophobicContact CG-CG2 3.96Å; E179-T207 WeakPolarHBondContact OE1-CB 3.49Å; E179-T207 VanDerWaalsContact OE1-CG2 3.26Å; E179-T207 WeakPolarHBondContact OE1-CG2 3.44Å; E179-T207 PolarHBondContact OE1-OG1 2.89Å; E179-M209 HydrophobicContact CB-SD 3.78Å; E179-M209 HydrophobicContact CG-SD 4.02Å; E179-R324 IonicContact OE2-CZ 2.75Å; E179-R324 IonicContact OE2-NH2 3.87Å; E179-R324 PolarHBondContact OE2-NH2 3.35Å
180K86.6Confident80Confident80 Ų8086.7 Ų86.735%0.34844%0.438SS..EExtended strand (participates in β ladder)trans-125.3148.7174.8-65.2-154.4-174.3179.10111.5E178 K182 T207 T208 I210E178-K180 WeakPolarHBondContact OE2-CE 3.4Å; E178-K180 IonicContact OE2-NZ 3.81Å; K180-K182 PolarHBondContact O-N 3.38Å; K180-T207 CarbonylContact O-C 3.42Å; K180-T207 WeakPolarHBondContact O-CA 3.26Å; K180-T208 PolarHBondContact N-O 3.31Å; K180-T208 PolarHBondContact O-N 3.28Å; K180-I210 HydrophobicContact CB-CD1 3.94Å; K180-I210 HydrophobicContact CD-CD1 3.67Å; K180-I210 HydrophobicContact CG-CD1 3.84Å
181P83.9Confident77.8Confident72 Ų7291.4 Ų91.447%0.46847%0.471SS..EExtended strand (participates in β ladder)trans-54.7136.1169.7-25.735.3000111.1V183 V202P181-V183 PolarHBondContact O-N 2.96Å; P181-V202 HydrophobicContact CB-CG1 3.39Å; P181-V202 HydrophobicContact CG-CG1 4.45Å
182K80.5Confident75.5Confident81 Ų8198.1 Ų98.135%0.35250%0.504SS..EExtended strand (participates in β ladder)trans-69.5127-177.6-170.9178.8-179.5-179.40109.8K180 D203 E206 T208K180-K182 PolarHBondContact O-N 3.38Å; K182-D203 PolarHBondContact O-N 3.15Å; K182-E206 HydrophobicContact CB-CB 3.95Å; K182-E206 VanDerWaalsContact CB-O 3.24Å; K182-E206 WeakPolarHBondContact CB-O 3.31Å; K182-E206 HydrophobicContact CD-CB 3.85Å; K182-E206 WeakPolarHBondContact CD-OE2 3.37Å; K182-E206 WeakPolarHBondContact CE-OE2 3.45Å; K182-E206 PolarHBondContact N-O 3.13Å; K182-E206 IonicContact NZ-OE2 2.63Å; K182-E206 PolarHBondContact NZ-OE2 2.78Å; K182-T208 HydrophobicContact CB-CG2 4.12Å; K182-T208 HydrophobicContact CD-CG2 4.21Å; K182-T208 HydrophobicContact CG-CG2 3.82Å
183V76.4Confident73.4Confident86 Ų86100.8 Ų100.852%0.52152%0.522SS..EExtended strand (participates in β ladder)trans-90.7111.9175.2-176.20000108.7P181 P200P181-V183 PolarHBondContact O-N 2.96Å; V183-P200 HydrophobicContact CG1-CB 3.31Å; V183-P200 HydrophobicContact CG1-CG 4.28Å
184V72.1Confident71.4Confident67 Ų6796.4 Ų96.441%0.40652%0.516SS..EExtended strand (participates in β ladder)trans-86.5115.8175.2-173.50000108.5K201 D203V184-K201 WeakPolarHBondContact CA-O 3.32Å; V184-K201 PolarHBondContact N-O 3.15Å; V184-K201 PolarHBondContact O-N 2.87Å; V184-D203 HydrophobicContact CG2-CB 4.07Å
185K60.9Low69.3Low179 Ų179102.6 Ų102.678%0.77856%0.557SS**PPolyproline II helixtrans-66.7132.6171.2-69.4-175-180-179.80108.8K187K185-K187 PolarHBondContact O-N 3.03Å
186P58Low67.3Low55 Ų55107.2 Ų107.236%0.35758%0.577SS.*PPolyproline II helixtrans-60.8135.417523.2-29.6000109.5T188 K198P186-T188 PolarHBondContact O-N 3.29Å; P186-K198 HydrophobicContact CB-CB 4.12Å; P186-K198 HydrophobicContact CB-CD 4.49Å; P186-K198 HydrophobicContact CG-CB 3.87Å
187K54.2Low65.4Low190 Ų190111 Ų11183%0.82661%0.613SS**PPolyproline II helixtrans-59.8120.4168.1-70.5-177177-178.40107.7K185 D189K185-K187 PolarHBondContact O-N 3.03Å; K187-D189 PolarHBondContact O-N 2.79Å
188T51.5Low63.7Low129 Ų129116.9 Ų116.979%0.79164%0.636SS**  trans-76.7105.9166.140.50000107.1P186 E190P186-T188 PolarHBondContact O-N 3.29Å; T188-E190 PolarHBondContact O-N 3.1Å
189D51.8Low62.1Low125 Ų125123.5 Ų123.567%0.66866%0.664SS**  trans-66.7122.2163-70.3-37.3000107.1K187 S191K187-D189 PolarHBondContact O-N 2.79Å; D189-S191 PolarHBondContact O-N 3.41Å
190E52.4Low61Low204 Ų204123.6 Ų123.695%0.95367%0.672SS**THydrogen-bonded Turntrans-66.816.8-178.2-68.3-174.1152.500114.2T188T188-E190 PolarHBondContact O-N 3.1Å
191S51.7Low60.4Low100 Ų100127.8 Ų127.870%0.69969%0.69SS**THydrogen-bonded Turntrans-12720.1-169.772.30000115.5D189D189-S191 PolarHBondContact O-N 3.41Å
192N46.7Very low59.9Low154 Ų154128.4 Ų128.482%0.82469%0.692SS**  trans-140.9109.6173.8-110.3-17.5000112.9G194N192-G194 PolarHBondContact O-N 3.14Å; N192-G194 VanDerWaalsContact O-N 3.14Å
193D49.7Very low59.5Low182 Ų182127 Ų12797%0.97369%0.689SS**  trans-8668.8-176.3-144.65.2000110.3
194G54Low59.1Low55 Ų55128 Ų12857%0.56770%0.697SS**  trans-138.5136.9-177.300000113.6N192 E196N192-G194 PolarHBondContact O-N 3.14Å; N192-G194 VanDerWaalsContact O-N 3.14Å; G194-E196 PolarHBondContact O-N 3.15Å
195P52Low59.3Low136 Ų136132 Ų13288%0.88372%0.716SS**  trans-84.977.1-174.234.5-33.5000111.5
196E55.2Low60.3Low175 Ų175127.7 Ų127.782%0.81870%0.699SS**  trans-133.5102.1163-74.8-16916900110.3G194 K198G194-E196 PolarHBondContact O-N 3.15Å; E196-K198 VanDerWaalsContact C-N 3.34Å; E196-K198 PolarHBondContact O-N 2.84Å
197A57.1Low61.5Low105 Ų105128.6 Ų128.687%0.86870%0.703SS**  trans-63.495.4168.400000109K199A197-K199 PolarHBondContact O-N 3.15Å; A197-K199 VanDerWaalsContact O-N 3.16Å
198K60.2Low63Low153 Ų153122.1 Ų122.167%0.66568%0.68SS**PPolyproline II helixtrans-54.7120.7173.8-76179.4-179.7170.40108.9P186 E196P186-K198 HydrophobicContact CB-CB 4.12Å; P186-K198 HydrophobicContact CB-CD 4.49Å; P186-K198 HydrophobicContact CG-CB 3.87Å; E196-K198 VanDerWaalsContact C-N 3.34Å; E196-K198 PolarHBondContact O-N 2.84Å
199K60.7Low64.8Low185 Ų185120.4 Ų120.480%0.80466%0.664SS**PPolyproline II helixtrans-56.3140.3177.5-73.5-177.9-179.91770110A197 K201A197-K199 PolarHBondContact O-N 3.15Å; A197-K199 VanDerWaalsContact O-N 3.16Å; K199-K201 PolarHBondContact O-N 3.11Å
200P66.4Low66.8Low82 Ų82117.5 Ų117.553%0.53265%0.648SS.*PPolyproline II helixtrans-56.2134.3177-18.328.5000110.9V183V183-P200 HydrophobicContact CG1-CB 3.31Å; V183-P200 HydrophobicContact CG1-CG 4.28Å
201K72.2Confident68.8Low168 Ų168116.7 Ų116.773%0.7364%0.641SS**EExtended strand (participates in β ladder)trans-88128.9173.1-76.9-175.1176.3-178.10108.5V184 K199V184-K201 WeakPolarHBondContact CA-O 3.32Å; V184-K201 PolarHBondContact N-O 3.15Å; V184-K201 PolarHBondContact O-N 2.87Å; K199-K201 PolarHBondContact O-N 3.11Å
202V74Confident71Confident86 Ų86115 Ų11552%0.52162%0.621SS.*EExtended strand (participates in β ladder)trans-87.3127.8173.5179.90000107.8P181 P204P181-V202 HydrophobicContact CB-CG1 3.39Å; P181-V202 HydrophobicContact CG-CG1 4.45Å; V202-P204 WeakPolarHBondContact O-CD 3.48Å
203D72.3Confident73.4Confident52 Ų52111.8 Ų111.828%0.27861%0.607SS.*EExtended strand (participates in β ladder)trans-87.9113.5168.8-165.7-32.2000108.4K182 V184 N205 E206K182-D203 PolarHBondContact O-N 3.15Å; V184-D203 HydrophobicContact CG2-CB 4.07Å; D203-N205 PolarHBondContact O-N 2.8Å; D203-N205 WeakPolarHBondContact OD1-CB 3.46Å; D203-N205 PolarHBondContact OD1-N 3.37Å; D203-E206 HydrophobicContact CB-CB 4.48Å
204P67.8Low75.7Confident107 Ų107103.9 Ų103.970%0.69557%0.567SS**EExtended strand (participates in β ladder)trans-73-12.7179.730.4-34.4000113.5V202V202-P204 WeakPolarHBondContact O-CD 3.48Å
205N76.8Confident77.7Confident151 Ų151103.5 Ų103.581%0.80756%0.556SS**EExtended strand (participates in β ladder)trans-98.4-9.6-176.8-66.6-16.9000113.5D203D203-N205 PolarHBondContact O-N 2.8Å; D203-N205 WeakPolarHBondContact OD1-CB 3.46Å; D203-N205 PolarHBondContact OD1-N 3.37Å
206E80.9Confident79.9Confident88 Ų8897.1 Ų97.141%0.41151%0.514SS..EExtended strand (participates in β ladder)trans-119.5136.1175.8-67.9-169.7175.400110.6K182 D203K182-E206 HydrophobicContact CB-CB 3.95Å; K182-E206 VanDerWaalsContact CB-O 3.24Å; K182-E206 WeakPolarHBondContact CB-O 3.31Å; K182-E206 HydrophobicContact CD-CB 3.85Å; K182-E206 WeakPolarHBondContact CD-OE2 3.37Å; K182-E206 WeakPolarHBondContact CE-OE2 3.45Å; K182-E206 PolarHBondContact N-O 3.13Å; K182-E206 IonicContact NZ-OE2 2.63Å; K182-E206 PolarHBondContact NZ-OE2 2.78Å; D203-E206 HydrophobicContact CB-CB 4.48Å
207T83.4Confident81.9Confident74 Ų7489.1 Ų89.145%0.45448%0.478SS..EExtended strand (participates in β ladder)trans-118.5156.8177.259.30000111.6E179 K180E179-T207 HydrophobicContact CG-CG2 3.96Å; E179-T207 WeakPolarHBondContact OE1-CB 3.49Å; E179-T207 VanDerWaalsContact OE1-CG2 3.26Å; E179-T207 WeakPolarHBondContact OE1-CG2 3.44Å; E179-T207 PolarHBondContact OE1-OG1 2.89Å; K180-T207 CarbonylContact O-C 3.42Å; K180-T207 WeakPolarHBondContact O-CA 3.26Å
208T87.1Confident83.8Confident54 Ų5485.6 Ų85.633%0.33145%0.446SS..EExtended strand (participates in β ladder)trans-128.7142.4171.956.10000110.6K180 K182K180-T208 PolarHBondContact N-O 3.31Å; K180-T208 PolarHBondContact O-N 3.28Å; K182-T208 HydrophobicContact CB-CG2 4.12Å; K182-T208 HydrophobicContact CD-CG2 4.21Å; K182-T208 HydrophobicContact CG-CG2 3.82Å
209M88.3Confident85.7Confident92 Ų9278.4 Ų78.445%0.45342%0.416SS..EExtended strand (participates in β ladder)trans-87.9119.3176.6-61.7-64.2-87.900109.3V177 E179V177-M209 HydrophobicContact CB-CE 4Å; V177-M209 HydrophobicContact CG2-CE 3.51Å; E179-M209 HydrophobicContact CB-SD 3.78Å; E179-M209 HydrophobicContact CG-SD 4.02Å
210I93.7Very high87.5Confident65 Ų6573.7 Ų73.733%0.33340%0.395SS..EExtended strand (participates in β ladder)trans-107.3123.8179.9-56.9178.7000108.9V177 E178 K180 K212V177-I210 WeakPolarHBondContact CA-O 3.38Å; E178-I210 PolarHBondContact N-O 3.27Å; E178-I210 PolarHBondContact O-N 2.89Å; K180-I210 HydrophobicContact CB-CD1 3.94Å; K180-I210 HydrophobicContact CD-CD1 3.67Å; K180-I210 HydrophobicContact CG-CD1 3.84Å; I210-K212 HydrophobicContact CG2-CG 4.45Å
211K95.9Very high88.9Confident186 Ų18672.7 Ų72.781%0.80939%0.387SS*.EExtended strand (participates in β ladder)trans-72.7132.3171.5-66.9-177.7-180-177.80109.8V177V177-K211 HydrophobicContact CG1-CG 4.09Å
212K97.4Very high90.2Very high64 Ų6464.7 Ų64.728%0.27835%0.352SS..EExtended strand (participates in β ladder)trans-133.1158.6175.9-73.8-175.9165.9-173.50109.9N175 Y176 E178 I210N175-K212 WeakPolarHBondContact CA-O 3.4Å; Y176-K212 HydrophobicContact CD1-CB 4.15Å; Y176-K212 HydrophobicContact CD2-CB 4.34Å; Y176-K212 HydrophobicContact CE1-CB 3.62Å; Y176-K212 HydrophobicContact CE2-CB 3.85Å; Y176-K212 HydrophobicContact CE2-CD 3.89Å; Y176-K212 HydrophobicContact CE2-CG 4.46Å; Y176-K212 HydrophobicContact CG-CB 4.5Å; Y176-K212 VanDerWaalsContact CZ-CB 3.48Å; Y176-K212 PolarHBondContact N-O 3.32Å; Y176-K212 PolarHBondContact O-N 3.49Å; Y176-K212 WeakPolarHBondContact OH-CD 3.49Å; E178-K212 HydrophobicContact CB-CD 4.47Å; E178-K212 IonicContact OE1-NZ 2.86Å; E178-K212 WeakPolarHBondContact OE2-CE 3.31Å; E178-K212 IonicContact OE2-NZ 2.83Å; E178-K212 PolarHBondContact OE2-NZ 2.92Å; I210-K212 HydrophobicContact CG2-CG 4.45Å
213T97.2Very high91.3Very high87 Ų8760.8 Ų60.853%0.53433%0.329SS..EExtended strand (participates in β ladder)trans-127.2134.1176.1-48.80000108.4E173 H174 N175E173-T213 HydrophobicContact CB-CG2 4.31Å; H174-T213 CarbonylContact O-C 3.55Å; H174-T213 WeakPolarHBondContact O-CA 3.29Å; N175-T213 WeakPolarHBondContact OD1-CG2 3.42Å; N175-T213 PolarHBondContact OD1-OG1 3.34Å
214A96.4Very high92.5Very high17 Ų1763.1 Ų63.114%0.1434%0.338CS..EExtended strand (participates in β ladder)trans-121.2137.5172.100000109.7H174 Y176 F216H174-A214 WeakPolarHBondContact CA-O 3.33Å; H174-A214 WeakPolarHBondContact CB-O 3.32Å; H174-A214 PolarHBondContact N-O 2.97Å; H174-A214 PolarHBondContact O-N 3.29Å; Y176-A214 HydrophobicContact CE1-CB 4.02Å; A214-F216 HydrophobicContact CB-CE2 3.86Å
215S96.4Very high93.8Very high47 Ų4759.8 Ų59.833%0.32932%0.315SS..  trans-99.6136.5171.6-177.80000109.9Q172 K329Q172-S215 WeakPolarHBondContact O-CA 3.38Å; Q172-S215 WeakPolarHBondContact O-CB 3.2Å; Q172-S215 PolarHBondContact O-OG 3.21Å; Q172-S215 PolarHBondContact OE1-OG 2.99Å; S215-K329 WeakPolarHBondContact O-CE 3.4Å; S215-K329 PolarHBondContact O-NZ 3.4Å
216F97.8Very high94.6Very high1 Ų156.7 Ų56.70%0.00430%0.299CS..  trans-109.7167.1173.8-73.1-105000110.5S168 D169 L170 G171 Q172 H174 A214 P327 H328 K329 N330S168-F216 VanDerWaalsContact O-CD1 3.32Å; S168-F216 WeakPolarHBondContact O-CD1 3.32Å; S168-F216 WeakPolarHBondContact OG-CE1 3.43Å; D169-F216 VanDerWaalsContact OD1-CB 3.28Å; D169-F216 WeakPolarHBondContact OD1-CB 3.42Å; L170-F216 HydrophobicContact CB-CD2 3.67Å; L170-F216 HydrophobicContact CB-CE2 3.81Å; L170-F216 HydrophobicContact CB-CG 4.1Å; L170-F216 HydrophobicContact CB-CZ 4.33Å; L170-F216 HydrophobicContact CD1-CD2 4.4Å; L170-F216 HydrophobicContact CD1-CE1 4.26Å; L170-F216 HydrophobicContact CD1-CE2 3.68Å; L170-F216 HydrophobicContact CD1-CZ 3.61Å; L170-F216 HydrophobicContact CG-CD1 4.32Å; L170-F216 HydrophobicContact CG-CD2 4.08Å; L170-F216 HydrophobicContact CG-CE1 4.08Å; L170-F216 HydrophobicContact CG-CE2 3.84Å; L170-F216 HydrophobicContact CG-CG 4.33Å; L170-F216 HydrophobicContact CG-CZ 3.85Å; G171-F216 PolarHBondContact O-N 3.2Å; Q172-F216 PolarHBondContact NE2-O 3.4Å; H174-F216 HydrophobicContact CB-CD2 4.35Å; H174-F216 HydrophobicContact CB-CE2 4.22Å; A214-F216 HydrophobicContact CB-CE2 3.86Å; F216-P327 HydrophobicContact CE2-CG 4.05Å; F216-P327 HydrophobicContact CZ-CB 4.06Å; F216-P327 HydrophobicContact CZ-CG 3.71Å; F216-H328 WeakPolarHBondContact CE1-O 3.49Å; F216-K329 HydrophobicContact CD1-CG 4.17Å; F216-K329 HydrophobicContact CE1-CB 3.97Å; F216-K329 HydrophobicContact CE1-CG 3.86Å; F216-K329 HydrophobicContact CZ-CB 4.09Å; F216-K329 HydrophobicContact CZ-CG 4.17Å; F216-N330 HydrophobicContact CD1-CB 4.02Å; F216-N330 HydrophobicContact CE1-CB 4.29Å
217C97.6Very high95.2Very high8 Ų853 Ų535%0.05428%0.281CS..  trans-123.1155.7172.876.70000109V221 N330 F346 G347C217-V221 HydrophobicContact CB-CB 4.46Å; C217-V221 HydrophobicContact CB-CG1 4.3Å; C217-N330 PolarHBondContact SG-ND2 2.62Å; C217-F346 PolarHBondContact SG-O 2.67Å; C217-G347 VanDerWaalsContact SG-CA 3.52Å
218S98.2Very high95.4Very high30 Ų3053.6 Ų53.621%0.2129%0.285CS..  trans-63.9154.7-177.461.90000112.3D144 D169 K220 V221 A222D144-S218 VanDerWaalsContact OD2-CA 3.28Å; D144-S218 WeakPolarHBondContact OD2-CA 3.46Å; D144-S218 WeakPolarHBondContact OD2-CB 3.38Å; D169-S218 WeakPolarHBondContact OD2-CA 3.41Å; S218-K220 PolarHBondContact O-N 2.9Å; S218-V221 PolarHBondContact O-N 2.94Å; S218-V221 WeakPolarHBondContact OG-CG2 3.34Å; S218-A222 PolarHBondContact O-N 2.72Å
219L98.6Very high95.6Very high3 Ų355 Ų552%0.01629%0.291CS..Hα-helixtrans-55.5-38.8176.5179.862.1000111.2M140 V141 D144 F167 V221 A222 L223 F331M140-L219 HydrophobicContact CB-CD2 3.48Å; M140-L219 VanDerWaalsContact CB-CD2 3.48Å; V141-L219 HydrophobicContact CG2-CD2 4.19Å; V141-L219 HydrophobicContact CG2-CG 4.29Å; D144-L219 HydrophobicContact CB-CB 4.27Å; D144-L219 PolarHBondContact OD2-N 3.16Å; F167-L219 HydrophobicContact CB-CD1 4.36Å; F167-L219 HydrophobicContact CD1-CB 4.21Å; F167-L219 HydrophobicContact CD1-CD1 3.78Å; F167-L219 HydrophobicContact CD1-CG 4.45Å; F167-L219 HydrophobicContact CD2-CD1 3.9Å; F167-L219 HydrophobicContact CE1-CB 3.64Å; F167-L219 HydrophobicContact CE1-CD1 4.01Å; F167-L219 HydrophobicContact CE1-CG 4.35Å; F167-L219 HydrophobicContact CE2-CB 4.46Å; F167-L219 HydrophobicContact CE2-CD1 4.08Å; F167-L219 HydrophobicContact CG-CD1 3.72Å; F167-L219 VanDerWaalsContact CZ-CA 3.43Å; F167-L219 HydrophobicContact CZ-CB 3.78Å; F167-L219 HydrophobicContact CZ-CD1 4.15Å; L219-V221 PolarHBondContact O-N 2.96Å; L219-A222 PolarHBondContact O-N 3.49Å; L219-L223 HydrophobicContact CD1-CD1 3.83Å; L219-L223 HydrophobicContact CD1-CD2 4.41Å; L219-L223 HydrophobicContact CD1-CG 3.85Å; L219-L223 HydrophobicContact CD2-CD1 4.34Å; L219-L223 HydrophobicContact CG-CD1 3.79Å; L219-L223 HydrophobicContact CG-CG 4.19Å; L219-L223 WeakPolarHBondContact O-CB 3.42Å; L219-L223 WeakPolarHBondContact O-CG 3.43Å; L219-L223 PolarHBondContact O-N 2.86Å; L219-F331 HydrophobicContact CD1-CZ 3.96Å
220K98.3Very high95.6Very high86 Ų8658.6 Ų58.637%0.37431%0.306SS..Hα-helixtrans-56-51.1176.4-177.1175.1178.2177.10111.2V141 S218 A222 L223 E224V141-K220 HydrophobicContact CG1-CB 3.92Å; V141-K220 HydrophobicContact CG1-CD 4.43Å; V141-K220 HydrophobicContact CG1-CG 4.45Å; V141-K220 HydrophobicContact CG2-CB 4.36Å; S218-K220 PolarHBondContact O-N 2.9Å; K220-A222 VanDerWaalsContact C-N 3.3Å; K220-A222 PolarHBondContact O-N 3.16Å; K220-L223 PolarHBondContact O-N 3.1Å; K220-E224 WeakPolarHBondContact CE-OE2 3.33Å; K220-E224 WeakPolarHBondContact CG-OE2 3.37Å; K220-E224 WeakPolarHBondContact O-CB 3.44Å; K220-E224 WeakPolarHBondContact O-CG 3.42Å; K220-E224 PolarHBondContact O-N 2.76Å
221V97.7Very high95.4Very high61 Ų6160.6 Ų60.637%0.3731%0.312SS..Hα-helixtrans-65-38.2-179.5173.50000110.9C217 S218 L219 L223 E224 P348C217-V221 HydrophobicContact CB-CB 4.46Å; C217-V221 HydrophobicContact CB-CG1 4.3Å; S218-V221 PolarHBondContact O-N 2.94Å; S218-V221 WeakPolarHBondContact OG-CG2 3.34Å; L219-V221 PolarHBondContact O-N 2.96Å; V221-L223 VanDerWaalsContact C-N 3.35Å; V221-E224 PolarHBondContact O-N 3.43Å; V221-P348 HydrophobicContact CG1-CG 4Å
222A98.1Very high95.1Very high0 Ų052.3 Ų52.30%028%0.279CS..Hα-helixtrans-70.2-29.6-179.800000113.3F167 S218 L219 K220 Y243 F331 F346F167-A222 HydrophobicContact CE2-CB 3.81Å; S218-A222 PolarHBondContact O-N 2.72Å; L219-A222 PolarHBondContact O-N 3.49Å; K220-A222 VanDerWaalsContact C-N 3.3Å; K220-A222 PolarHBondContact O-N 3.16Å; A222-Y243 WeakPolarHBondContact O-CE2 3.38Å; A222-Y243 PolarHBondContact O-OH 2.99Å; A222-F331 HydrophobicContact CB-CD2 4.48Å; A222-F331 HydrophobicContact CB-CE2 3.69Å; A222-F346 VanDerWaalsContact CA-O 3.31Å; A222-F346 WeakPolarHBondContact CA-O 3.34Å; A222-F346 HydrophobicContact CB-CB 4.14Å; A222-F346 WeakPolarHBondContact CB-O 3.21Å; A222-F346 WeakPolarHBondContact O-CB 3.42Å
223L97.9Very high94.7Very high4 Ų455 Ų552%0.02129%0.29CS..Hα-helixtrans-84.9-27.1174.7-68.5178000112.8R137 L219 K220 V221 V225 Y243 L246 H247 L250 F331R137-L223 HydrophobicContact CG-CD1 4.16Å; L219-L223 HydrophobicContact CD1-CD1 3.83Å; L219-L223 HydrophobicContact CD1-CD2 4.41Å; L219-L223 HydrophobicContact CD1-CG 3.85Å; L219-L223 HydrophobicContact CD2-CD1 4.34Å; L219-L223 HydrophobicContact CG-CD1 3.79Å; L219-L223 HydrophobicContact CG-CG 4.19Å; L219-L223 WeakPolarHBondContact O-CB 3.42Å; L219-L223 WeakPolarHBondContact O-CG 3.43Å; L219-L223 PolarHBondContact O-N 2.86Å; K220-L223 PolarHBondContact O-N 3.1Å; V221-L223 VanDerWaalsContact C-N 3.35Å; L223-V225 PolarHBondContact O-N 3.45Å; L223-Y243 PolarHBondContact O-OH 2.79Å; L223-L246 HydrophobicContact CD2-CD2 4.2Å; L223-H247 PolarHBondContact O-CE1 2.84Å; L223-H247 PolarHBondContact O-NE2 3.44Å; L223-L250 HydrophobicContact CD1-CD1 4.19Å; L223-L250 HydrophobicContact CD2-CD1 4.32Å; L223-F331 HydrophobicContact CD2-CZ 4.12Å
224E96.3Very high94.4Very high101 Ų10155.2 Ų55.247%0.47230%0.296SS..  trans-100.547.4-175.1-65.7173-174.100112.2R137 K220 V221 D226R137-E224 IonicContact NH2-OE1 2.7Å; R137-E224 PolarHBondContact NH2-OE1 2.95Å; K220-E224 WeakPolarHBondContact CE-OE2 3.33Å; K220-E224 WeakPolarHBondContact CG-OE2 3.37Å; K220-E224 WeakPolarHBondContact O-CB 3.44Å; K220-E224 WeakPolarHBondContact O-CG 3.42Å; K220-E224 PolarHBondContact O-N 2.76Å; V221-E224 PolarHBondContact O-N 3.43Å; E224-D226 PolarHBondContact O-N 3.36Å
225V95.5Very high94.2Very high36 Ų3656.3 Ų56.322%0.21830%0.302CS..  trans-66.8126.1175.9176.40000110.2L223 W227 A232 Y243 F346L223-V225 PolarHBondContact O-N 3.45Å; V225-W227 HydrophobicContact CB-CZ2 4.22Å; V225-W227 HydrophobicContact CG1-CD2 4.06Å; V225-W227 HydrophobicContact CG1-CE3 4.46Å; V225-W227 HydrophobicContact CG1-CH2 4.34Å; V225-W227 HydrophobicContact CG1-CZ2 3.93Å; V225-W227 PolarHBondContact O-N 3.48Å; V225-W227 VanDerWaalsContact O-N 3.13Å; V225-A232 HydrophobicContact CG1-CB 4.27Å; V225-Y243 WeakPolarHBondContact CG2-OH 3.26Å; V225-F346 HydrophobicContact CG2-CB 4.15Å; V225-F346 HydrophobicContact CG2-CD1 4.2Å
226D93.7Very high94.1Very high87 Ų8755.8 Ų55.847%0.46530%0.295SS..  trans-77.995.2173.2177.214.4000111E224 T228 N229 A232E224-D226 PolarHBondContact O-N 3.36Å; D226-T228 PolarHBondContact O-N 3.43Å; D226-T228 WeakPolarHBondContact OD1-CA 3.33Å; D226-T228 VanDerWaalsContact OD1-CB 3.27Å; D226-T228 WeakPolarHBondContact OD1-CB 3.47Å; D226-T228 WeakPolarHBondContact OD1-CG2 3.33Å; D226-T228 PolarHBondContact OD1-N 3.25Å; D226-T228 PolarHBondContact OD1-OG1 3.36Å; D226-T228 PolarHBondContact OD2-OG1 2.97Å; D226-N229 WeakPolarHBondContact O-CB 3.26Å; D226-N229 PolarHBondContact O-N 3.38Å; D226-A232 VanDerWaalsContact O-CB 3.26Å; D226-A232 WeakPolarHBondContact O-CB 3.41Å
227W93.8Very high93.9Very high9 Ų965.5 Ų65.53%0.03434%0.338CS..THydrogen-bonded Turntrans-72.7-4.1176.5-63.2104.5000114V225 A232 K233 L236 T239 Y243 F244 L285 F346V225-W227 HydrophobicContact CB-CZ2 4.22Å; V225-W227 HydrophobicContact CG1-CD2 4.06Å; V225-W227 HydrophobicContact CG1-CE3 4.46Å; V225-W227 HydrophobicContact CG1-CH2 4.34Å; V225-W227 HydrophobicContact CG1-CZ2 3.93Å; V225-W227 PolarHBondContact O-N 3.48Å; V225-W227 VanDerWaalsContact O-N 3.13Å; W227-A232 HydrophobicContact CE3-CB 3.92Å; W227-A232 HydrophobicContact CZ3-CB 4.32Å; W227-K233 WeakPolarHBondContact O-CE 3.39Å; W227-K233 WeakPolarHBondContact O-CG 3.38Å; W227-L236 HydrophobicContact CD2-CD1 4.42Å; W227-L236 HydrophobicContact CE3-CB 4.46Å; W227-L236 HydrophobicContact CE3-CD1 3.76Å; W227-L236 HydrophobicContact CH2-CD1 4.28Å; W227-L236 HydrophobicContact CZ3-CB 4.21Å; W227-L236 HydrophobicContact CZ3-CD1 3.67Å; W227-T239 HydrophobicContact CH2-CG2 3.79Å; W227-T239 HydrophobicContact CZ2-CG2 4.37Å; W227-Y243 AromaticContact CZ2-CD1 3.95Å; W227-Y243 HydrophobicContact CZ2-CD1 3.95Å; W227-Y243 AromaticContact CZ2-CE1 3.65Å; W227-Y243 HydrophobicContact CZ2-CE1 3.65Å; W227-Y243 AromaticContact NE1-CE1 3.95Å; W227-F244 AromaticContact CE2-CE1 3.82Å; W227-F244 AromaticContact CE2-CZ 4Å; W227-F244 HydrophobicContact CH2-CZ 4.02Å; W227-F244 AromaticContact CZ2-CE1 3.9Å; W227-F244 HydrophobicContact CZ2-CE1 3.9Å; W227-F244 AromaticContact CZ2-CZ 3.71Å; W227-F244 HydrophobicContact CZ2-CZ 3.71Å; W227-F244 AromaticContact NE1-CE1 3.9Å; W227-L285 HydrophobicContact CB-CD1 4.36Å; W227-L285 HydrophobicContact CB-CD2 4.11Å; W227-L285 HydrophobicContact CB-CG 4.33Å; W227-L285 HydrophobicContact CD2-CD1 4.3Å; W227-L285 HydrophobicContact CG-CD1 3.98Å; W227-L285 HydrophobicContact CG-CD2 4.48Å; W227-L285 HydrophobicContact CG-CG 4.48Å; W227-F346 HydrophobicContact CH2-CE1 4.39Å; W227-F346 HydrophobicContact CZ2-CE1 4.42Å
228T88.6Confident93.7Very high88 Ų8875.9 Ų75.954%0.5438%0.375SS..THydrogen-bonded Turntrans-79.5-23.1173.776.80000112.2D226 K233D226-T228 PolarHBondContact O-N 3.43Å; D226-T228 WeakPolarHBondContact OD1-CA 3.33Å; D226-T228 VanDerWaalsContact OD1-CB 3.27Å; D226-T228 WeakPolarHBondContact OD1-CB 3.47Å; D226-T228 WeakPolarHBondContact OD1-CG2 3.33Å; D226-T228 PolarHBondContact OD1-N 3.25Å; D226-T228 PolarHBondContact OD1-OG1 3.36Å; D226-T228 PolarHBondContact OD2-OG1 2.97Å; T228-K233 WeakPolarHBondContact O-CE 3.49Å; T228-K233 PolarHBondContact O-NZ 3.48Å
229N90.9Very high93.5Very high84 Ų8475 Ų7545%0.44937%0.369SS..SBendtrans-66.9136177.4-172.7-50.3000112.3D226 K231 A232 K233D226-N229 WeakPolarHBondContact O-CB 3.26Å; D226-N229 PolarHBondContact O-N 3.38Å; N229-K231 PolarHBondContact O-N 2.84Å; N229-K231 VanDerWaalsContact O-N 3.17Å; N229-K231 WeakPolarHBondContact OD1-CB 3.31Å; N229-K231 PolarHBondContact OD1-N 3.14Å; N229-A232 HydrophobicContact CB-CB 4.48Å; N229-A232 PolarHBondContact O-N 3.25Å; N229-A232 VanDerWaalsContact O-N 3.13Å; N229-K233 WeakPolarHBondContact O-CG 3.17Å; N229-K233 PolarHBondContact O-N 3.42Å
230E88.9Confident93.4Very high167 Ų16775.6 Ų75.678%0.7837%0.373SS*.Hα-helixtrans-53-38.3179.7-66.7-171.1153.600113.4K233 S234E230-K233 PolarHBondContact O-N 3Å; E230-S234 WeakPolarHBondContact O-CB 3.37Å; E230-S234 PolarHBondContact O-N 2.96Å
231K87.9Confident93.3Very high106 Ų10673.8 Ų73.846%0.46137%0.369SS..Hα-helixtrans-66.5-44.9-179.3-168.1176.8-176.2176.80111.2N229 S234 S235 K349N229-K231 PolarHBondContact O-N 2.84Å; N229-K231 VanDerWaalsContact O-N 3.17Å; N229-K231 WeakPolarHBondContact OD1-CB 3.31Å; N229-K231 PolarHBondContact OD1-N 3.14Å; K231-S234 PolarHBondContact O-N 2.99Å; K231-S234 PolarHBondContact O-OG 3.43Å; K231-S235 PolarHBondContact O-N 2.98Å; K231-S235 PolarHBondContact O-OG 2.95Å; K231-K349 VanDerWaalsContact CE-CD 3.43Å
232A89.4Confident93.4Very high12 Ų1271.9 Ų71.910%0.09936%0.357CS..Hα-helixtrans-66.7-42.8176.600000111.4V225 D226 W227 N229 S234 S235 L236V225-A232 HydrophobicContact CG1-CB 4.27Å; D226-A232 VanDerWaalsContact O-CB 3.26Å; D226-A232 WeakPolarHBondContact O-CB 3.41Å; W227-A232 HydrophobicContact CE3-CB 3.92Å; W227-A232 HydrophobicContact CZ3-CB 4.32Å; N229-A232 HydrophobicContact CB-CB 4.48Å; N229-A232 PolarHBondContact O-N 3.25Å; N229-A232 VanDerWaalsContact O-N 3.13Å; A232-S234 VanDerWaalsContact C-N 3.27Å; A232-S234 PolarHBondContact O-N 3.38Å; A232-S235 PolarHBondContact O-N 3.26Å; A232-S235 VanDerWaalsContact O-N 3.13Å; A232-S235 PolarHBondContact O-OG 3Å; A232-L236 PolarHBondContact O-N 3.12Å
233K89.6Confident93.4Very high121 Ų12171.9 Ų71.953%0.52636%0.357SS..Hα-helixtrans-56.6-40.6172.9-72.3178.1171.6157.20112.2W227 T228 N229 E230 S235 L236W227-K233 WeakPolarHBondContact O-CE 3.39Å; W227-K233 WeakPolarHBondContact O-CG 3.38Å; T228-K233 WeakPolarHBondContact O-CE 3.49Å; T228-K233 PolarHBondContact O-NZ 3.48Å; N229-K233 WeakPolarHBondContact O-CG 3.17Å; N229-K233 PolarHBondContact O-N 3.42Å; E230-K233 PolarHBondContact O-N 3Å; K233-S235 VanDerWaalsContact C-N 3.31Å; K233-S235 PolarHBondContact O-N 3.45Å; K233-L236 WeakPolarHBondContact O-CB 3.3Å; K233-L236 PolarHBondContact O-N 3.44Å
234S91.4Very high93.4Very high92 Ų9271.7 Ų71.764%0.64336%0.356SS*.Hα-helixtrans-66.7-30.6179.378.70000113.4E230 K231 A232E230-S234 WeakPolarHBondContact O-CB 3.37Å; E230-S234 PolarHBondContact O-N 2.96Å; K231-S234 PolarHBondContact O-N 2.99Å; K231-S234 PolarHBondContact O-OG 3.43Å; A232-S234 VanDerWaalsContact C-N 3.27Å; A232-S234 PolarHBondContact O-N 3.38Å
235S92.4Very high93.5Very high39 Ų3967.2 Ų67.227%0.27334%0.335SS..Hα-helixtrans-89.3-16.6178.150.90000114.2K231 A232 K233 K237 R238 T239K231-S235 PolarHBondContact O-N 2.98Å; K231-S235 PolarHBondContact O-OG 2.95Å; A232-S235 PolarHBondContact O-N 3.26Å; A232-S235 VanDerWaalsContact O-N 3.13Å; A232-S235 PolarHBondContact O-OG 3Å; K233-S235 VanDerWaalsContact C-N 3.31Å; K233-S235 PolarHBondContact O-N 3.45Å; S235-K237 VanDerWaalsContact C-N 3.25Å; S235-K237 PolarHBondContact O-N 3.46Å; S235-K237 VanDerWaalsContact O-N 3.1Å; S235-R238 WeakPolarHBondContact O-CA 3.42Å; S235-R238 WeakPolarHBondContact O-CB 3.37Å; S235-R238 PolarHBondContact O-N 2.85Å; S235-T239 PolarHBondContact O-N 3.35Å; S235-T239 VanDerWaalsContact O-N 3.14Å; S235-T239 PolarHBondContact O-OG1 3.41Å
236L94.3Very high93.7Very high36 Ų3665.7 Ų65.719%0.18833%0.326CS..G310 helixtrans-49.5-41.7-174.6-177.665.8000113.7W227 A232 K233 R238 T239 F244 L285 L289W227-L236 HydrophobicContact CD2-CD1 4.42Å; W227-L236 HydrophobicContact CE3-CB 4.46Å; W227-L236 HydrophobicContact CE3-CD1 3.76Å; W227-L236 HydrophobicContact CH2-CD1 4.28Å; W227-L236 HydrophobicContact CZ3-CB 4.21Å; W227-L236 HydrophobicContact CZ3-CD1 3.67Å; A232-L236 PolarHBondContact O-N 3.12Å; K233-L236 WeakPolarHBondContact O-CB 3.3Å; K233-L236 PolarHBondContact O-N 3.44Å; L236-R238 PolarHBondContact O-N 3.17Å; L236-R238 VanDerWaalsContact O-N 3.15Å; L236-T239 WeakPolarHBondContact O-CB 3.17Å; L236-T239 PolarHBondContact O-N 3.43Å; L236-T239 VanDerWaalsContact O-N 3.15Å; L236-F244 HydrophobicContact CD1-CE1 4.5Å; L236-F244 HydrophobicContact CD1-CE2 4.16Å; L236-F244 HydrophobicContact CD1-CZ 3.58Å; L236-L285 HydrophobicContact CD1-CD1 4.29Å; L236-L285 HydrophobicContact CD1-CD2 4.16Å; L236-L285 HydrophobicContact CD2-CD2 3.64Å; L236-L289 HydrophobicContact CD1-CD2 3.93Å
237K92.2Very high93.9Very high206 Ų20662 Ų6290%0.89631%0.306SS*.G310 helixtrans-63.8-19.1179-68.5-174.6177.9-178.10114.3S235S235-K237 VanDerWaalsContact C-N 3.25Å; S235-K237 PolarHBondContact O-N 3.46Å; S235-K237 VanDerWaalsContact O-N 3.1Å
238R93.5Very high94.2Very high225 Ų22561.6 Ų61.685%0.84930%0.304SS*.G310 helixtrans-105.2-12.3179-68.4-180152.7-160.9-6.7112.5S235 L236S235-R238 WeakPolarHBondContact O-CA 3.42Å; S235-R238 WeakPolarHBondContact O-CB 3.37Å; S235-R238 PolarHBondContact O-N 2.85Å; L236-R238 PolarHBondContact O-N 3.17Å; L236-R238 VanDerWaalsContact O-N 3.15Å
239T95.8Very high94.7Very high12 Ų1257.5 Ų57.57%0.07428%0.279CS..SBendtrans-66.4130.8177.9-63.70000109.6W227 S235 L236 V241 F244 F346W227-T239 HydrophobicContact CH2-CG2 3.79Å; W227-T239 HydrophobicContact CZ2-CG2 4.37Å; S235-T239 PolarHBondContact O-N 3.35Å; S235-T239 VanDerWaalsContact O-N 3.14Å; S235-T239 PolarHBondContact O-OG1 3.41Å; L236-T239 WeakPolarHBondContact O-CB 3.17Å; L236-T239 PolarHBondContact O-N 3.43Å; L236-T239 VanDerWaalsContact O-N 3.15Å; T239-V241 PolarHBondContact O-N 2.89Å; T239-F244 HydrophobicContact CG2-CE2 3.82Å; T239-F244 HydrophobicContact CG2-CZ 4.07Å; T239-F346 HydrophobicContact CG2-CE1 3.66Å; T239-F346 HydrophobicContact CG2-CZ 3.84Å
240P95.9Very high95Very high15 Ų1553.7 Ų53.710%0.09726%0.258CS..  trans-56131.4173.2-26.235000111.6D242 Y243 F333 V342 D344P240-D242 HydrophobicContact CB-CB 4.45Å; P240-D242 PolarHBondContact O-N 3.09Å; P240-Y243 VanDerWaalsContact O-CB 3.3Å; P240-Y243 WeakPolarHBondContact O-CB 3.38Å; P240-Y243 PolarHBondContact O-N 2.79Å; P240-F333 HydrophobicContact CB-CD2 4.06Å; P240-F333 HydrophobicContact CG-CD2 4.19Å; P240-V342 HydrophobicContact CG-CB 4.17Å; P240-V342 HydrophobicContact CG-CG1 3.69Å; P240-D344 VanDerWaalsContact CD-OD2 3.32Å; P240-D344 WeakPolarHBondContact CD-OD2 3.31Å; P240-D344 HydrophobicContact CG-CB 4.28Å
241V96.6Very high95.5Very high49 Ų4949.8 Ų49.830%0.29724%0.239SC..THydrogen-bonded Turntrans-59.2-30.9176.8173.50000111.2T239 Y243 F244 L245 L289 L290T239-V241 PolarHBondContact O-N 2.89Å; V241-Y243 PolarHBondContact O-N 3.29Å; V241-Y243 VanDerWaalsContact O-N 3.13Å; V241-F244 PolarHBondContact O-N 3.47Å; V241-L245 PolarHBondContact O-N 2.94Å; V241-L245 VanDerWaalsContact O-N 3.13Å; V241-L289 VanDerWaalsContact CG1-O 3.3Å; V241-L289 WeakPolarHBondContact CG1-O 3.42Å; V241-L290 HydrophobicContact CG1-CB 4.44Å; V241-L290 HydrophobicContact CG1-CD1 3.46Å; V241-L290 VanDerWaalsContact CG1-CD1 3.46Å
242D98.3Very high96Very high20 Ų2044.7 Ų44.711%0.10722%0.217CC..Hα-helixtrans-54.1-26.7174.1-64.1-116.5000114.3H163 P240 F244 L245 L246 F333H163-D242 IonicContact CD2-OD1 3.32Å; H163-D242 PolarHBondContact CD2-OD1 2.82Å; H163-D242 VanDerWaalsContact CD2-OD1 3.27Å; P240-D242 HydrophobicContact CB-CB 4.45Å; P240-D242 PolarHBondContact O-N 3.09Å; D242-F244 VanDerWaalsContact C-N 3.31Å; D242-F244 PolarHBondContact O-N 3.06Å; D242-L245 PolarHBondContact O-N 2.85Å; D242-L246 WeakPolarHBondContact O-CB 3.23Å; D242-L246 PolarHBondContact O-N 2.87Å; D242-F333 HydrophobicContact CB-CB 3.67Å; D242-F333 HydrophobicContact CB-CD1 3.49Å; D242-F333 VanDerWaalsContact CB-CD1 3.49Å; D242-F333 HydrophobicContact CB-CE1 4.27Å; D242-F333 HydrophobicContact CB-CG 3.65Å
243Y98.4Very high96.5Very high0 Ų044.9 Ų44.90%022%0.215CC..Hα-helixtrans-60.8-42.9172.4179-95.2000111.2A222 L223 V225 W227 P240 V241 L246 H247 F333 F346A222-Y243 WeakPolarHBondContact O-CE2 3.38Å; A222-Y243 PolarHBondContact O-OH 2.99Å; L223-Y243 PolarHBondContact O-OH 2.79Å; V225-Y243 WeakPolarHBondContact CG2-OH 3.26Å; W227-Y243 AromaticContact CZ2-CD1 3.95Å; W227-Y243 HydrophobicContact CZ2-CD1 3.95Å; W227-Y243 AromaticContact CZ2-CE1 3.65Å; W227-Y243 HydrophobicContact CZ2-CE1 3.65Å; W227-Y243 AromaticContact NE1-CE1 3.95Å; P240-Y243 VanDerWaalsContact O-CB 3.3Å; P240-Y243 WeakPolarHBondContact O-CB 3.38Å; P240-Y243 PolarHBondContact O-N 2.79Å; V241-Y243 PolarHBondContact O-N 3.29Å; V241-Y243 VanDerWaalsContact O-N 3.13Å; Y243-L246 WeakPolarHBondContact O-CB 3.39Å; Y243-H247 AromaticContact CD1-CD2 3.97Å; Y243-H247 AromaticContact CE1-CD2 3.56Å; Y243-H247 AromaticContact CE1-NE2 3.4Å; Y243-H247 WeakPolarHBondContact CE1-NE2 3.16Å; Y243-H247 AromaticContact CZ-CD2 3.88Å; Y243-H247 AromaticContact CZ-NE2 3.31Å; Y243-H247 VanDerWaalsContact CZ-NE2 3.31Å; Y243-H247 PolarHBondContact O-CD2 3.38Å; Y243-H247 VanDerWaalsContact O-CD2 3.23Å; Y243-H247 PolarHBondContact O-N 3.04Å; Y243-H247 PolarHBondContact OH-NE2 3.42Å; Y243-F333 HydrophobicContact CD2-CE2 4.41Å; Y243-F333 HydrophobicContact CD2-CZ 4Å; Y243-F346 HydrophobicContact CD1-CE1 4.08Å; Y243-F346 AromaticContact CD2-CD1 3.59Å; Y243-F346 HydrophobicContact CD2-CD1 3.59Å; Y243-F346 AromaticContact CD2-CD2 3.98Å; Y243-F346 HydrophobicContact CD2-CD2 3.98Å; Y243-F346 AromaticContact CD2-CE1 3.34Å; Y243-F346 HydrophobicContact CD2-CE1 3.34Å; Y243-F346 AromaticContact CD2-CE2 3.77Å; Y243-F346 HydrophobicContact CD2-CE2 3.77Å; Y243-F346 AromaticContact CD2-CG 3.89Å; Y243-F346 HydrophobicContact CD2-CG 3.89Å; Y243-F346 AromaticContact CD2-CZ 3.44Å; Y243-F346 HydrophobicContact CD2-CZ 3.44Å; Y243-F346 VanDerWaalsContact CD2-CZ 3.44Å; Y243-F346 HydrophobicContact CE1-CD1 4.41Å; Y243-F346 HydrophobicContact CE1-CE1 4.35Å; Y243-F346 HydrophobicContact CE2-CB 4.18Å; Y243-F346 AromaticContact CE2-CD1 3.37Å; Y243-F346 HydrophobicContact CE2-CD1 3.37Å; Y243-F346 HydrophobicContact CE2-CD2 4.09Å; Y243-F346 AromaticContact CE2-CE1 3.65Å; Y243-F346 HydrophobicContact CE2-CE1 3.65Å; Y243-F346 HydrophobicContact CE2-CE2 4.34Å; Y243-F346 AromaticContact CE2-CG 3.6Å; Y243-F346 HydrophobicContact CE2-CG 3.6Å; Y243-F346 HydrophobicContact CE2-CZ 4.13Å; Y243-F346 HydrophobicContact CG-CD1 4.2Å; Y243-F346 AromaticContact CG-CE1 3.58Å; Y243-F346 HydrophobicContact CG-CE1 3.58Å; Y243-F346 HydrophobicContact CG-CE2 4.48Å; Y243-F346 AromaticContact CG-CZ 3.74Å; Y243-F346 HydrophobicContact CG-CZ 3.74Å; Y243-F346 AromaticContact CZ-CD1 3.82Å
244F98.4Very high96.8Very high0 Ų042.3 Ų42.30%021%0.21CC..Hα-helixtrans-76.9-35.5178.6-53.4-75.5000111.7W227 L236 T239 V241 D242 L246 H247 V248 L280 M283 L285 L289W227-F244 AromaticContact CE2-CE1 3.82Å; W227-F244 AromaticContact CE2-CZ 4Å; W227-F244 HydrophobicContact CH2-CZ 4.02Å; W227-F244 AromaticContact CZ2-CE1 3.9Å; W227-F244 HydrophobicContact CZ2-CE1 3.9Å; W227-F244 AromaticContact CZ2-CZ 3.71Å; W227-F244 HydrophobicContact CZ2-CZ 3.71Å; W227-F244 AromaticContact NE1-CE1 3.9Å; L236-F244 HydrophobicContact CD1-CE1 4.5Å; L236-F244 HydrophobicContact CD1-CE2 4.16Å; L236-F244 HydrophobicContact CD1-CZ 3.58Å; T239-F244 HydrophobicContact CG2-CE2 3.82Å; T239-F244 HydrophobicContact CG2-CZ 4.07Å; V241-F244 PolarHBondContact O-N 3.47Å; D242-F244 VanDerWaalsContact C-N 3.31Å; D242-F244 PolarHBondContact O-N 3.06Å; F244-L246 VanDerWaalsContact C-N 3.28Å; F244-L246 PolarHBondContact O-N 2.92Å; F244-H247 WeakPolarHBondContact O-CB 3.27Å; F244-H247 PolarHBondContact O-N 3.41Å; F244-H247 VanDerWaalsContact O-N 3.17Å; F244-V248 WeakPolarHBondContact O-CG2 3.35Å; F244-V248 PolarHBondContact O-N 3.33Å; F244-V248 VanDerWaalsContact O-N 3.09Å; F244-L280 HydrophobicContact CB-CD2 4.05Å; F244-L280 HydrophobicContact CD1-CD2 3.76Å; F244-L280 HydrophobicContact CG-CD2 4.05Å; F244-M283 HydrophobicContact CD1-SD 4.1Å; F244-M283 HydrophobicContact CE1-SD 4.26Å; F244-L285 HydrophobicContact CD1-CD1 4Å; F244-L285 HydrophobicContact CE1-CD1 3.32Å; F244-L285 HydrophobicContact CZ-CD1 3.94Å; F244-L289 HydrophobicContact CD1-CD2 4.12Å; F244-L289 HydrophobicContact CD2-CD2 3.53Å; F244-L289 HydrophobicContact CD2-CG 3.98Å; F244-L289 HydrophobicContact CE1-CD2 3.94Å; F244-L289 HydrophobicContact CE2-CD2 3.34Å; F244-L289 HydrophobicContact CE2-CG 4.06Å; F244-L289 HydrophobicContact CG-CD2 3.94Å; F244-L289 HydrophobicContact CZ-CD2 3.56Å
245L98.8Very high97.1Very high7 Ų741.7 Ų41.74%0.03720%0.199CC..Hα-helixtrans-56.6-43.9170.9177.759.2000111.3H163 V241 D242 H247 V248 L249 L290 F294 C298H163-L245 HydrophobicContact CB-CD2 3.9Å; V241-L245 PolarHBondContact O-N 2.94Å; V241-L245 VanDerWaalsContact O-N 3.13Å; D242-L245 PolarHBondContact O-N 2.85Å; L245-H247 VanDerWaalsContact C-N 3.34Å; L245-H247 PolarHBondContact O-N 2.83Å; L245-V248 PolarHBondContact O-N 2.73Å; L245-L249 HydrophobicContact CD1-CD1 3.73Å; L245-L249 HydrophobicContact CD1-CG 4.11Å; L245-L249 HydrophobicContact CD2-CD1 4.43Å; L245-L249 HydrophobicContact CG-CD1 3.69Å; L245-L249 HydrophobicContact CG-CG 4.48Å; L245-L249 WeakPolarHBondContact O-CG 3.19Å; L245-L249 PolarHBondContact O-N 2.83Å; L245-L290 HydrophobicContact CB-CD1 4.23Å; L245-L290 HydrophobicContact CB-CD2 4.45Å; L245-L290 HydrophobicContact CD1-CD2 4.32Å; L245-F294 HydrophobicContact CD1-CD2 3.51Å; L245-F294 HydrophobicContact CD1-CE2 3.94Å; L245-C298 HydrophobicContact CD1-CB 4.28Å
246L98.8Very high97.4Very high5 Ų545 Ų453%0.02621%0.208CC..Hα-helixtrans-56.8-46.6175.2173.661.5000111.5Y165 L223 D242 Y243 F244 V248 L249 L250 F331 F333Y165-L246 HydrophobicContact CD1-CD1 3.6Å; Y165-L246 HydrophobicContact CD2-CD1 4.34Å; Y165-L246 HydrophobicContact CD2-CD2 3.94Å; Y165-L246 HydrophobicContact CE1-CD1 3.29Å; Y165-L246 HydrophobicContact CE2-CD1 4.1Å; Y165-L246 HydrophobicContact CE2-CD2 4.04Å; Y165-L246 HydrophobicContact CG-CD1 4.12Å; Y165-L246 HydrophobicContact CG-CD2 4.19Å; L223-L246 HydrophobicContact CD2-CD2 4.2Å; D242-L246 WeakPolarHBondContact O-CB 3.23Å; D242-L246 PolarHBondContact O-N 2.87Å; Y243-L246 WeakPolarHBondContact O-CB 3.39Å; F244-L246 VanDerWaalsContact C-N 3.28Å; F244-L246 PolarHBondContact O-N 2.92Å; L246-V248 VanDerWaalsContact C-N 3.34Å; L246-V248 PolarHBondContact O-N 3.47Å; L246-L249 PolarHBondContact O-N 3.13Å; L246-L250 HydrophobicContact CD1-CD1 3.81Å; L246-L250 HydrophobicContact CD1-CD2 4.25Å; L246-L250 HydrophobicContact CD1-CG 3.74Å; L246-L250 HydrophobicContact CG-CD1 3.88Å; L246-L250 HydrophobicContact CG-CG 4.22Å; L246-L250 WeakPolarHBondContact O-CB 3.48Å; L246-L250 VanDerWaalsContact O-CG 3.3Å; L246-L250 WeakPolarHBondContact O-CG 3.44Å; L246-L250 PolarHBondContact O-N 2.93Å; L246-F331 HydrophobicContact CD2-CD1 4.46Å; L246-F331 HydrophobicContact CD2-CE1 3.64Å; L246-F331 HydrophobicContact CD2-CZ 4.2Å; L246-F333 HydrophobicContact CB-CE1 4.34Å; L246-F333 HydrophobicContact CD2-CE1 4.13Å; L246-F333 HydrophobicContact CD2-CZ 4.44Å
247H98.8Very high97.5Very high9 Ų946.6 Ų46.64%0.04223%0.234CC..Hα-helixtrans-59.6-43177.9-84.1-76.6000113L223 Y243 F244 L245 K251 V279 M283L223-H247 PolarHBondContact O-CE1 2.84Å; L223-H247 PolarHBondContact O-NE2 3.44Å; Y243-H247 AromaticContact CD1-CD2 3.97Å; Y243-H247 AromaticContact CE1-CD2 3.56Å; Y243-H247 AromaticContact CE1-NE2 3.4Å; Y243-H247 WeakPolarHBondContact CE1-NE2 3.16Å; Y243-H247 AromaticContact CZ-CD2 3.88Å; Y243-H247 AromaticContact CZ-NE2 3.31Å; Y243-H247 VanDerWaalsContact CZ-NE2 3.31Å; Y243-H247 PolarHBondContact O-CD2 3.38Å; Y243-H247 VanDerWaalsContact O-CD2 3.23Å; Y243-H247 PolarHBondContact O-N 3.04Å; Y243-H247 PolarHBondContact OH-NE2 3.42Å; F244-H247 WeakPolarHBondContact O-CB 3.27Å; F244-H247 PolarHBondContact O-N 3.41Å; F244-H247 VanDerWaalsContact O-N 3.17Å; L245-H247 VanDerWaalsContact C-N 3.34Å; L245-H247 PolarHBondContact O-N 2.83Å; H247-K251 WeakPolarHBondContact O-CB 3.46Å; H247-K251 PolarHBondContact O-N 2.84Å; H247-V279 HydrophobicContact CB-CG1 3.87Å; H247-M283 HydrophobicContact CB-CE 4.11Å
248V98.9Very high97.7Very high0 Ų041.1 Ų41.10%021%0.208CC..Hα-helixtrans-61-45.9176.3173.50000111.1F244 L245 L246 K251 F252 L272 I275 R276 L290 F294F244-V248 WeakPolarHBondContact O-CG2 3.35Å; F244-V248 PolarHBondContact O-N 3.33Å; F244-V248 VanDerWaalsContact O-N 3.09Å; L245-V248 PolarHBondContact O-N 2.73Å; L246-V248 VanDerWaalsContact C-N 3.34Å; L246-V248 PolarHBondContact O-N 3.47Å; V248-K251 PolarHBondContact O-N 3.3Å; V248-F252 PolarHBondContact O-N 3.5Å; V248-L272 HydrophobicContact CG1-CD2 3.89Å; V248-I275 HydrophobicContact CB-CG2 4.38Å; V248-I275 HydrophobicContact CG1-CB 4.34Å; V248-I275 HydrophobicContact CG1-CG2 3.91Å; V248-R276 HydrophobicContact CG1-CB 4.41Å; V248-R276 HydrophobicContact CG2-CB 3.9Å; V248-R276 HydrophobicContact CG2-CG 4.41Å; V248-L290 HydrophobicContact CG2-CD2 4.09Å; V248-F294 HydrophobicContact CG1-CE2 4.09Å; V248-F294 HydrophobicContact CG1-CZ 4.08Å
249L98.8Very high97.9Very high2 Ų231.4 Ų31.41%0.0117%0.173CC..Hα-helixtrans-71.1-38.6-178.1-67.7164.4000112.4F160 L245 L246 K251 F252 R253 P260 L272 C298F160-L249 HydrophobicContact CB-CD1 3.75Å; F160-L249 HydrophobicContact CD1-CD1 4.09Å; F160-L249 HydrophobicContact CD1-CD2 4.19Å; F160-L249 HydrophobicContact CD2-CD1 3.55Å; F160-L249 HydrophobicContact CE1-CB 4.26Å; F160-L249 HydrophobicContact CE2-CB 4.27Å; F160-L249 HydrophobicContact CE2-CD1 4.06Å; F160-L249 HydrophobicContact CG-CD1 3.55Å; F160-L249 HydrophobicContact CG-CD2 4.4Å; F160-L249 HydrophobicContact CG-CG 4.43Å; F160-L249 HydrophobicContact CZ-CB 4.13Å; L245-L249 HydrophobicContact CD1-CD1 3.73Å; L245-L249 HydrophobicContact CD1-CG 4.11Å; L245-L249 HydrophobicContact CD2-CD1 4.43Å; L245-L249 HydrophobicContact CG-CD1 3.69Å; L245-L249 HydrophobicContact CG-CG 4.48Å; L245-L249 WeakPolarHBondContact O-CG 3.19Å; L245-L249 PolarHBondContact O-N 2.83Å; L246-L249 PolarHBondContact O-N 3.13Å; L249-K251 VanDerWaalsContact C-N 3.32Å; L249-K251 PolarHBondContact O-N 3.09Å; L249-F252 PolarHBondContact O-N 2.77Å; L249-R253 WeakPolarHBondContact O-CB 3.42Å; L249-R253 PolarHBondContact O-N 3.4Å; L249-P260 HydrophobicContact CD2-CG 3.91Å; L249-L272 HydrophobicContact CD2-CD2 4.04Å; L249-C298 HydrophobicContact CD1-CB 4.45Å; L249-C298 HydrophobicContact CD2-CB 4.49Å
250L98.7Very high98Very high4 Ų431.1 Ų31.12%0.02117%0.171CC..Hα-helixtrans-64.2-38.3173.1-70.5179.1000111.7M140 L223 L246 R253 T254M140-L250 HydrophobicContact CE-CD2 3.64Å; L223-L250 HydrophobicContact CD1-CD1 4.19Å; L223-L250 HydrophobicContact CD2-CD1 4.32Å; L246-L250 HydrophobicContact CD1-CD1 3.81Å; L246-L250 HydrophobicContact CD1-CD2 4.25Å; L246-L250 HydrophobicContact CD1-CG 3.74Å; L246-L250 HydrophobicContact CG-CD1 3.88Å; L246-L250 HydrophobicContact CG-CG 4.22Å; L246-L250 WeakPolarHBondContact O-CB 3.48Å; L246-L250 VanDerWaalsContact O-CG 3.3Å; L246-L250 WeakPolarHBondContact O-CG 3.44Å; L246-L250 PolarHBondContact O-N 2.93Å; L250-R253 PolarHBondContact O-N 3.04Å; L250-T254 WeakPolarHBondContact O-CB 3.48Å; L250-T254 PolarHBondContact O-N 2.98Å; L250-T254 PolarHBondContact O-OG1 3.28Å
251K98.7Very high98Very high85 Ų8533.3 Ų33.337%0.3718%0.18SC..Hα-helixtrans-66.6-43.5174.4-177.359.3165.276.50111.4H247 V248 L249 R253 T254 D255 I275 V279H247-K251 WeakPolarHBondContact O-CB 3.46Å; H247-K251 PolarHBondContact O-N 2.84Å; V248-K251 PolarHBondContact O-N 3.3Å; L249-K251 VanDerWaalsContact C-N 3.32Å; L249-K251 PolarHBondContact O-N 3.09Å; K251-R253 PolarHBondContact O-N 3.37Å; K251-T254 WeakPolarHBondContact O-CB 3.17Å; K251-T254 PolarHBondContact O-N 2.85Å; K251-D255 IonicContact NZ-OD1 2.72Å; K251-D255 PolarHBondContact NZ-OD1 3.36Å; K251-D255 IonicContact NZ-OD2 3.44Å; K251-D255 PolarHBondContact NZ-OD2 3.27Å; K251-D255 VanDerWaalsContact O-CG 3.29Å; K251-D255 PolarHBondContact O-N 2.84Å; K251-I275 HydrophobicContact CB-CG2 3.71Å; K251-I275 HydrophobicContact CG-CG2 3.64Å; K251-V279 HydrophobicContact CB-CG2 4.2Å; K251-V279 HydrophobicContact CG-CG2 4.21Å
252F98.8Very high97.9Very high0 Ų034 Ų340%019%0.185CC..Hα-helixtrans-56.8-49.5173.5-176.2-78.2000111.5V248 L249 T254 D255 K256 R258 D259 P260 D268 L271 L272 I275V248-F252 PolarHBondContact O-N 3.5Å; L249-F252 PolarHBondContact O-N 2.77Å; F252-T254 VanDerWaalsContact C-N 3.27Å; F252-T254 PolarHBondContact O-N 3.38Å; F252-D255 PolarHBondContact O-N 2.73Å; F252-K256 HydrophobicContact CD1-CB 4.33Å; F252-K256 HydrophobicContact CD1-CG 4.27Å; F252-K256 HydrophobicContact CE1-CB 3.97Å; F252-K256 HydrophobicContact CE1-CG 3.87Å; F252-K256 HydrophobicContact CE2-CG 4.23Å; F252-K256 HydrophobicContact CZ-CB 4.41Å; F252-K256 HydrophobicContact CZ-CG 3.85Å; F252-K256 WeakPolarHBondContact O-CB 3.29Å; F252-K256 PolarHBondContact O-N 2.72Å; F252-R258 WeakPolarHBondContact CD1-O 3.42Å; F252-R258 WeakPolarHBondContact CE1-O 3.3Å; F252-D259 VanDerWaalsContact CE1-C 3.47Å; F252-P260 HydrophobicContact CD1-CG 3.86Å; F252-P260 HydrophobicContact CD2-CG 4.41Å; F252-P260 HydrophobicContact CE1-CB 4.4Å; F252-P260 HydrophobicContact CE1-CG 3.9Å; F252-P260 HydrophobicContact CE2-CG 4.41Å; F252-P260 HydrophobicContact CG-CG 4.15Å; F252-P260 HydrophobicContact CZ-CB 4.39Å; F252-P260 HydrophobicContact CZ-CG 4.18Å; F252-D268 HydrophobicContact CE2-CB 4.06Å; F252-D268 HydrophobicContact CZ-CB 4.05Å; F252-L271 HydrophobicContact CD2-CD2 4.06Å; F252-L271 HydrophobicContact CD2-CG 4.31Å; F252-L271 HydrophobicContact CE2-CB 4.48Å; F252-L271 HydrophobicContact CE2-CD2 3.81Å; F252-L271 HydrophobicContact CE2-CG 4.3Å; F252-L272 HydrophobicContact CB-CD2 3.9Å; F252-L272 HydrophobicContact CD2-CD2 3.62Å; F252-L272 HydrophobicContact CD2-CG 3.83Å; F252-L272 HydrophobicContact CE2-CD2 4.42Å; F252-L272 HydrophobicContact CE2-CG 4.2Å; F252-L272 HydrophobicContact CG-CD2 3.94Å; F252-I275 HydrophobicContact CB-CD1 3.92Å; F252-I275 HydrophobicContact CD2-CD1 4Å; F252-I275 HydrophobicContact CG-CD1 4.4Å
253R98.5Very high97.8Very high16 Ų1641.6 Ų41.66%0.0622%0.22CC..Hα-helixtrans-59.3-39.4177.6-176.1-179.1-73.2173.2-5.4111.6G134 C135 D158 L249 L250 K251 G257 R258 D259G134-R253 VanDerWaalsContact C-NH1 3.31Å; C135-R253 WeakPolarHBondContact O-CD 3.41Å; C135-R253 PolarHBondContact O-NH1 2.88Å; D158-R253 VanDerWaalsContact CG-NH1 3.34Å; D158-R253 IonicContact OD1-CZ 2.78Å; D158-R253 IonicContact OD1-NH1 2.76Å; D158-R253 PolarHBondContact OD1-NH1 3.26Å; D158-R253 VanDerWaalsContact OD1-NH1 3.16Å; D158-R253 IonicContact OD1-NH2 3.92Å; D158-R253 PolarHBondContact OD1-NH2 2.91Å; D158-R253 IonicContact OD2-CZ 3.36Å; D158-R253 IonicContact OD2-NH1 2.68Å; D158-R253 PolarHBondContact OD2-NH1 2.89Å; D158-R253 IonicContact OD2-NH2 3.95Å; L249-R253 WeakPolarHBondContact O-CB 3.42Å; L249-R253 PolarHBondContact O-N 3.4Å; L250-R253 PolarHBondContact O-N 3.04Å; K251-R253 PolarHBondContact O-N 3.37Å; R253-G257 VanDerWaalsContact O-CA 3.25Å; R253-G257 WeakPolarHBondContact O-CA 3.3Å; R253-G257 PolarHBondContact O-N 2.79Å; R253-R258 WeakPolarHBondContact CA-O 3.34Å; R253-D259 IonicContact CZ-OD1 3.5Å; R253-D259 IonicContact CZ-OD2 3.5Å; R253-D259 IonicContact NE-OD1 2.76Å; R253-D259 PolarHBondContact NE-OD1 3.46Å; R253-D259 IonicContact NE-OD2 2.66Å; R253-D259 IonicContact NH2-OD1 3.61Å; R253-D259 PolarHBondContact NH2-OD1 3.44Å; R253-D259 IonicContact NH2-OD2 2.85Å; R253-D259 PolarHBondContact NH2-OD2 3.35Å
254T97.5Very high97.7Very high67 Ų6743.3 Ų43.341%0.41123%0.232SC..Hα-helixtrans-63.6-45.5176.3-570000111.6L250 K251 F252L250-T254 WeakPolarHBondContact O-CB 3.48Å; L250-T254 PolarHBondContact O-N 2.98Å; L250-T254 PolarHBondContact O-OG1 3.28Å; K251-T254 WeakPolarHBondContact O-CB 3.17Å; K251-T254 PolarHBondContact O-N 2.85Å; F252-T254 VanDerWaalsContact C-N 3.27Å; F252-T254 PolarHBondContact O-N 3.38Å
255D97.7Very high97.7Very high78 Ų7847.3 Ų47.342%0.41725%0.249SC..Hα-helixtrans-74.7-33-176.3-66.1-15.7000113.2K251 F252K251-D255 IonicContact NZ-OD1 2.72Å; K251-D255 PolarHBondContact NZ-OD1 3.36Å; K251-D255 IonicContact NZ-OD2 3.44Å; K251-D255 PolarHBondContact NZ-OD2 3.27Å; K251-D255 VanDerWaalsContact O-CG 3.29Å; K251-D255 PolarHBondContact O-N 2.84Å; F252-D255 PolarHBondContact O-N 2.73Å
256K98.1Very high97.6Very high108 Ų10854.7 Ų54.747%0.4728%0.284SS..Hα-helixtrans-103.6-17.8-173.7-66.3-61.4-174.9-178.40114.5F252 R258 L271F252-K256 HydrophobicContact CD1-CB 4.33Å; F252-K256 HydrophobicContact CD1-CG 4.27Å; F252-K256 HydrophobicContact CE1-CB 3.97Å; F252-K256 HydrophobicContact CE1-CG 3.87Å; F252-K256 HydrophobicContact CE2-CG 4.23Å; F252-K256 HydrophobicContact CZ-CB 4.41Å; F252-K256 HydrophobicContact CZ-CG 3.85Å; F252-K256 WeakPolarHBondContact O-CB 3.29Å; F252-K256 PolarHBondContact O-N 2.72Å; K256-R258 HydrophobicContact CB-CG 3.95Å; K256-R258 PolarHBondContact O-N 3.03Å; K256-L271 HydrophobicContact CD-CD2 4.25Å; K256-L271 HydrophobicContact CG-CD2 4.22Å
257G96.9Very high97.6Very high71 Ų7157.5 Ų57.573%0.73231%0.308SS*.SBendtrans6516.7-170.700000113.6R253R253-G257 VanDerWaalsContact O-CA 3.25Å; R253-G257 WeakPolarHBondContact O-CA 3.3Å; R253-G257 PolarHBondContact O-N 2.79Å
258R96.6Very high97.6Very high91 Ų9157.3 Ų57.334%0.34331%0.307SS..SBendtrans-154.2167.1177.663.8163.7-179.181.7-1.9110.7F252 R253 K256 S264 D268F252-R258 WeakPolarHBondContact CD1-O 3.42Å; F252-R258 WeakPolarHBondContact CE1-O 3.3Å; R253-R258 WeakPolarHBondContact CA-O 3.34Å; K256-R258 HydrophobicContact CB-CG 3.95Å; K256-R258 PolarHBondContact O-N 3.03Å; R258-S264 PolarHBondContact NH2-OG 2.86Å; R258-D268 IonicContact CZ-OD1 3.84Å; R258-D268 IonicContact CZ-OD2 3.83Å; R258-D268 IonicContact NH1-OD1 2.79Å; R258-D268 PolarHBondContact NH1-OD1 3.22Å; R258-D268 IonicContact NH1-OD2 3.78Å; R258-D268 PolarHBondContact NH1-OD2 2.99Å; R258-D268 IonicContact NH2-OD1 3.66Å; R258-D268 PolarHBondContact NH2-OD1 3.38Å; R258-D268 IonicContact NH2-OD2 3.9Å; R258-D268 PolarHBondContact NH2-OD2 3.5Å
259D97.8Very high97.6Very high21 Ų2157.3 Ų57.311%0.11231%0.307CS..  trans-83.4164.5171.5-64.9-31.6000112.5R46 F160 F252 R253 H261R46-D259 IonicContact NH1-OD2 3.27Å; R46-D259 PolarHBondContact NH1-OD2 3.05Å; F160-D259 HydrophobicContact CE1-CB 4.47Å; F252-D259 VanDerWaalsContact CE1-C 3.47Å; R253-D259 IonicContact CZ-OD1 3.5Å; R253-D259 IonicContact CZ-OD2 3.5Å; R253-D259 IonicContact NE-OD1 2.76Å; R253-D259 PolarHBondContact NE-OD1 3.46Å; R253-D259 IonicContact NE-OD2 2.66Å; R253-D259 IonicContact NH2-OD1 3.61Å; R253-D259 PolarHBondContact NH2-OD1 3.44Å; R253-D259 IonicContact NH2-OD2 2.85Å; R253-D259 PolarHBondContact NH2-OD2 3.35Å; D259-H261 PolarHBondContact O-N 3.42Å
260P97.9Very high97.6Very high5 Ų561.6 Ų61.63%0.03233%0.334CS..  trans-58132.5171.9-23.634.6000111.6L249 F252 D268 L272 F299L249-P260 HydrophobicContact CD2-CG 3.91Å; F252-P260 HydrophobicContact CD1-CG 3.86Å; F252-P260 HydrophobicContact CD2-CG 4.41Å; F252-P260 HydrophobicContact CE1-CB 4.4Å; F252-P260 HydrophobicContact CE1-CG 3.9Å; F252-P260 HydrophobicContact CE2-CG 4.41Å; F252-P260 HydrophobicContact CG-CG 4.15Å; F252-P260 HydrophobicContact CZ-CB 4.39Å; F252-P260 HydrophobicContact CZ-CG 4.18Å; P260-D268 HydrophobicContact CB-CB 4.43Å; P260-L272 HydrophobicContact CB-CD1 4.01Å; P260-L272 HydrophobicContact CG-CD1 3.78Å; P260-L272 HydrophobicContact CG-CD2 4.08Å; P260-L272 HydrophobicContact CG-CG 4.31Å; P260-F299 HydrophobicContact CB-CD1 3.66Å; P260-F299 HydrophobicContact CB-CD2 4.39Å; P260-F299 HydrophobicContact CB-CE1 3.47Å; P260-F299 VanDerWaalsContact CB-CE1 3.47Å; P260-F299 HydrophobicContact CB-CE2 4.21Å; P260-F299 HydrophobicContact CB-CG 4.14Å; P260-F299 HydrophobicContact CB-CZ 3.77Å
261H95.3Very high97.6Very high61 Ų6163.7 Ų63.728%0.28235%0.345SS..  trans-122.5138.2-172.2-165.4-97.7000111.9D259 E263 S264 F265 D268D259-H261 PolarHBondContact O-N 3.42Å; H261-E263 VanDerWaalsContact C-N 3.31Å; H261-E263 IonicContact CE1-OE2 3.25Å; H261-E263 WeakPolarHBondContact ND1-CB 3.4Å; H261-E263 PolarHBondContact ND1-N 3.19Å; H261-E263 IonicContact ND1-OE2 3.41Å; H261-E263 PolarHBondContact O-N 3.19Å; H261-S264 CarbonylContact O-C 3.56Å; H261-S264 PolarHBondContact O-N 2.93Å; H261-S264 VanDerWaalsContact O-N 3.07Å; H261-S264 PolarHBondContact O-OG 2.92Å; H261-F265 PolarHBondContact O-N 3.35Å; H261-D268 PolarHBondContact N-OD2 3Å
262P94.4Very high97.6Very high65 Ų6559.7 Ų59.742%0.42233%0.327SS..G310 helixtrans-59.1-35.7-177.4-26.834.8000114.6S264 F265 S300P262-S264 PolarHBondContact O-N 3.46Å; P262-F265 VanDerWaalsContact O-CB 3.28Å; P262-F265 WeakPolarHBondContact O-CB 3.49Å; P262-F265 PolarHBondContact O-N 2.7Å; P262-F265 VanDerWaalsContact O-N 3.14Å; P262-S300 VanDerWaalsContact CD-OG 3.31Å; P262-S300 WeakPolarHBondContact CD-OG 3.24Å; P262-S300 WeakPolarHBondContact CG-OG 3.4Å
263E95.5Very high97.6Very high179 Ų17962.6 Ų62.684%0.83634%0.338SS*.G310 helixtrans-63.6-25.7178.3-65.4178.7171.300112.8H261H261-E263 VanDerWaalsContact C-N 3.31Å; H261-E263 IonicContact CE1-OE2 3.25Å; H261-E263 WeakPolarHBondContact ND1-CB 3.4Å; H261-E263 PolarHBondContact ND1-N 3.19Å; H261-E263 IonicContact ND1-OE2 3.41Å; H261-E263 PolarHBondContact O-N 3.19Å
264S97.1Very high97.6Very high35 Ų3566.6 Ų66.625%0.24536%0.358CS..G310 helixtrans-109.224.917748.90000112.5R258 H261 P262 E266 A267 D268R258-S264 PolarHBondContact NH2-OG 2.86Å; H261-S264 CarbonylContact O-C 3.56Å; H261-S264 PolarHBondContact O-N 2.93Å; H261-S264 VanDerWaalsContact O-N 3.07Å; H261-S264 PolarHBondContact O-OG 2.92Å; P262-S264 PolarHBondContact O-N 3.46Å; S264-E266 PolarHBondContact O-N 2.89Å; S264-A267 PolarHBondContact O-N 2.83Å; S264-D268 WeakPolarHBondContact O-CB 3.33Å; S264-D268 PolarHBondContact O-N 3.37Å; S264-D268 PolarHBondContact OG-OD2 3.35Å
265F97.8Very high97.7Very high84 Ų8463.6 Ų63.637%0.36834%0.339SS..Hα-helixtrans-52.2-49.5-170.1178.9-97.1000113.7H261 P262 A267 D268 A269 F299H261-F265 PolarHBondContact O-N 3.35Å; P262-F265 VanDerWaalsContact O-CB 3.28Å; P262-F265 WeakPolarHBondContact O-CB 3.49Å; P262-F265 PolarHBondContact O-N 2.7Å; P262-F265 VanDerWaalsContact O-N 3.14Å; F265-A267 PolarHBondContact O-N 3.01Å; F265-D268 PolarHBondContact O-N 2.85Å; F265-A269 HydrophobicContact CE1-CB 4.38Å; F265-A269 HydrophobicContact CZ-CB 4.32Å; F265-A269 WeakPolarHBondContact O-CB 3.26Å; F265-A269 PolarHBondContact O-N 3.38Å; F265-F299 AromaticContact CD2-CD1 3.96Å; F265-F299 HydrophobicContact CD2-CD1 3.96Å; F265-F299 HydrophobicContact CD2-CD2 4.06Å; F265-F299 AromaticContact CD2-CE1 3.72Å; F265-F299 HydrophobicContact CD2-CE1 3.72Å; F265-F299 AromaticContact CD2-CE2 3.84Å; F265-F299 HydrophobicContact CD2-CE2 3.84Å; F265-F299 HydrophobicContact CD2-CG 4.12Å; F265-F299 AromaticContact CD2-CZ 3.65Å; F265-F299 HydrophobicContact CD2-CZ 3.65Å; F265-F299 AromaticContact CE2-CD2 3.92Å; F265-F299 HydrophobicContact CE2-CD2 3.92Å; F265-F299 HydrophobicContact CE2-CE1 4.44Å; F265-F299 AromaticContact CE2-CE2 3.71Å; F265-F299 HydrophobicContact CE2-CE2 3.71Å; F265-F299 HydrophobicContact CE2-CG 4.38Å; F265-F299 AromaticContact CE2-CZ 3.98Å; F265-F299 HydrophobicContact CE2-CZ 3.98Å
266E98Very high97.7Very high162 Ų16260.7 Ų60.776%0.75732%0.322SS*.Hα-helixtrans-60.5-47-177.1-66.6-173.2167.600112.3S264 T270S264-E266 PolarHBondContact O-N 2.89Å; E266-T270 WeakPolarHBondContact O-CB 3.25Å; E266-T270 PolarHBondContact O-N 2.9Å; E266-T270 VanDerWaalsContact O-N 3.1Å; E266-T270 PolarHBondContact O-OG1 2.66Å
267A98.4Very high97.7Very high65 Ų6558.1 Ų58.154%0.53731%0.313SS..Hα-helixtrans-68.4-45.1-179.300000111.6S264 F265 T270 L271S264-A267 PolarHBondContact O-N 2.83Å; F265-A267 PolarHBondContact O-N 3.01Å; A267-T270 PolarHBondContact O-N 3.33Å; A267-L271 PolarHBondContact O-N 3.18Å
268D98.6Very high97.8Very high4 Ų458.4 Ų58.42%0.02130%0.298CS..Hα-helixtrans-68.1-41.1-180-71.7-8.3000111.4F252 R258 P260 H261 S264 F265 T270 L271 L272 F299F252-D268 HydrophobicContact CE2-CB 4.06Å; F252-D268 HydrophobicContact CZ-CB 4.05Å; R258-D268 IonicContact CZ-OD1 3.84Å; R258-D268 IonicContact CZ-OD2 3.83Å; R258-D268 IonicContact NH1-OD1 2.79Å; R258-D268 PolarHBondContact NH1-OD1 3.22Å; R258-D268 IonicContact NH1-OD2 3.78Å; R258-D268 PolarHBondContact NH1-OD2 2.99Å; R258-D268 IonicContact NH2-OD1 3.66Å; R258-D268 PolarHBondContact NH2-OD1 3.38Å; R258-D268 IonicContact NH2-OD2 3.9Å; R258-D268 PolarHBondContact NH2-OD2 3.5Å; P260-D268 HydrophobicContact CB-CB 4.43Å; H261-D268 PolarHBondContact N-OD2 3Å; S264-D268 WeakPolarHBondContact O-CB 3.33Å; S264-D268 PolarHBondContact O-N 3.37Å; S264-D268 PolarHBondContact OG-OD2 3.35Å; F265-D268 PolarHBondContact O-N 2.85Å; D268-T270 VanDerWaalsContact C-N 3.3Å; D268-T270 PolarHBondContact O-N 2.99Å; D268-L271 PolarHBondContact O-N 3.25Å; D268-L272 WeakPolarHBondContact O-CB 3.45Å; D268-L272 VanDerWaalsContact O-CG 3.25Å; D268-L272 WeakPolarHBondContact O-CG 3.4Å; D268-L272 PolarHBondContact O-N 2.9Å; D268-F299 HydrophobicContact CB-CE1 3.8Å; D268-F299 HydrophobicContact CB-CZ 3.88Å
269A98.7Very high97.9Very high1 Ų155.1 Ų55.11%0.00829%0.288CS..Hα-helixtrans-64.7-35.7176.800000111.9F265 R273 V295 F299F265-A269 HydrophobicContact CE1-CB 4.38Å; F265-A269 HydrophobicContact CZ-CB 4.32Å; F265-A269 WeakPolarHBondContact O-CB 3.26Å; F265-A269 PolarHBondContact O-N 3.38Å; A269-R273 WeakPolarHBondContact O-CD 3.49Å; A269-R273 WeakPolarHBondContact O-CG 3.22Å; A269-R273 PolarHBondContact O-N 3.46Å; A269-V295 HydrophobicContact CB-CB 4.06Å; A269-V295 HydrophobicContact CB-CG1 4.36Å; A269-V295 HydrophobicContact CB-CG2 4.08Å; A269-F299 HydrophobicContact CB-CZ 4.32Å
270T98.6Very high97.9Very high91 Ų9154.1 Ų54.156%0.55828%0.283SS*.Hα-helixtrans-65.7-48.2174.7-59.20000110.4E266 A267 D268 R273 Q274E266-T270 WeakPolarHBondContact O-CB 3.25Å; E266-T270 PolarHBondContact O-N 2.9Å; E266-T270 VanDerWaalsContact O-N 3.1Å; E266-T270 PolarHBondContact O-OG1 2.66Å; A267-T270 PolarHBondContact O-N 3.33Å; D268-T270 VanDerWaalsContact C-N 3.3Å; D268-T270 PolarHBondContact O-N 2.99Å; T270-R273 PolarHBondContact O-N 2.83Å; T270-Q274 PolarHBondContact O-N 3.05Å
271L98.8Very high97.9Very high49 Ų4961 Ų6126%0.25732%0.315SS..Hα-helixtrans-64.3-41.3178.1178.760.8000112.6F252 K256 A267 D268 R273 Q274 I275F252-L271 HydrophobicContact CD2-CD2 4.06Å; F252-L271 HydrophobicContact CD2-CG 4.31Å; F252-L271 HydrophobicContact CE2-CB 4.48Å; F252-L271 HydrophobicContact CE2-CD2 3.81Å; F252-L271 HydrophobicContact CE2-CG 4.3Å; K256-L271 HydrophobicContact CD-CD2 4.25Å; K256-L271 HydrophobicContact CG-CD2 4.22Å; A267-L271 PolarHBondContact O-N 3.18Å; D268-L271 PolarHBondContact O-N 3.25Å; L271-R273 VanDerWaalsContact C-N 3.29Å; L271-R273 PolarHBondContact O-N 3.45Å; L271-Q274 WeakPolarHBondContact O-CB 3.33Å; L271-Q274 PolarHBondContact O-N 2.96Å; L271-Q274 VanDerWaalsContact O-N 3.16Å; L271-I275 HydrophobicContact CD1-CD1 4.06Å; L271-I275 HydrophobicContact CD1-CG1 4.06Å; L271-I275 HydrophobicContact CD2-CD1 4.3Å; L271-I275 HydrophobicContact CG-CD1 3.78Å; L271-I275 HydrophobicContact CG-CG1 4.21Å; L271-I275 WeakPolarHBondContact O-CG1 3.32Å; L271-I275 PolarHBondContact O-N 3.35Å
272L98.8Very high98Very high0 Ų062.5 Ų62.50%034%0.338CS..Hα-helixtrans-59.4-39.6179-80168.5000112.1V248 L249 F252 P260 D268 I275 R276 F294 V295 F299V248-L272 HydrophobicContact CG1-CD2 3.89Å; L249-L272 HydrophobicContact CD2-CD2 4.04Å; F252-L272 HydrophobicContact CB-CD2 3.9Å; F252-L272 HydrophobicContact CD2-CD2 3.62Å; F252-L272 HydrophobicContact CD2-CG 3.83Å; F252-L272 HydrophobicContact CE2-CD2 4.42Å; F252-L272 HydrophobicContact CE2-CG 4.2Å; F252-L272 HydrophobicContact CG-CD2 3.94Å; P260-L272 HydrophobicContact CB-CD1 4.01Å; P260-L272 HydrophobicContact CG-CD1 3.78Å; P260-L272 HydrophobicContact CG-CD2 4.08Å; P260-L272 HydrophobicContact CG-CG 4.31Å; D268-L272 WeakPolarHBondContact O-CB 3.45Å; D268-L272 VanDerWaalsContact O-CG 3.25Å; D268-L272 WeakPolarHBondContact O-CG 3.4Å; D268-L272 PolarHBondContact O-N 2.9Å; L272-I275 PolarHBondContact O-N 3.25Å; L272-R276 WeakPolarHBondContact O-CB 3.48Å; L272-R276 PolarHBondContact O-N 2.83Å; L272-F294 HydrophobicContact CB-CE2 4.23Å; L272-F294 HydrophobicContact CB-CZ 3.93Å; L272-V295 HydrophobicContact CB-CG1 3.8Å; L272-V295 HydrophobicContact CD1-CG1 4.11Å; L272-F299 HydrophobicContact CD1-CE2 3.76Å; L272-F299 HydrophobicContact CD1-CZ 3.84Å
273R98.7Very high98Very high62 Ų6261.2 Ų61.223%0.23433%0.326CS..Hα-helixtrans-66.5-40.6176.1-68.2164.3-177.1134.7-3.4112A269 T270 L271 R276 D277 H292 F294 V295A269-R273 WeakPolarHBondContact O-CD 3.49Å; A269-R273 WeakPolarHBondContact O-CG 3.22Å; A269-R273 PolarHBondContact O-N 3.46Å; T270-R273 PolarHBondContact O-N 2.83Å; L271-R273 VanDerWaalsContact C-N 3.29Å; L271-R273 PolarHBondContact O-N 3.45Å; R273-R276 WeakPolarHBondContact O-CB 3.27Å; R273-R276 PolarHBondContact O-N 2.98Å; R273-D277 PolarHBondContact O-N 2.88Å; R273-D277 VanDerWaalsContact O-N 3.08Å; R273-H292 VanDerWaalsContact CD-NE2 3.29Å; R273-H292 WeakPolarHBondContact CD-NE2 3.44Å; R273-H292 PolarHBondContact NE-CE1 3.1Å; R273-H292 PolarHBondContact NE-NE2 3.08Å; R273-F294 HydrophobicContact CG-CE1 4.22Å; R273-V295 HydrophobicContact CG-CG1 4.12Å; R273-V295 VanDerWaalsContact NH2-CG2 3.27Å
274Q98.6Very high98Very high100 Ų10055.8 Ų55.847%0.46732%0.318SS..Hα-helixtrans-61.5-48.6173.5-175.663.251.500110.8T270 L271 R276 D277 D278T270-Q274 PolarHBondContact O-N 3.05Å; L271-Q274 WeakPolarHBondContact O-CB 3.33Å; L271-Q274 PolarHBondContact O-N 2.96Å; L271-Q274 VanDerWaalsContact O-N 3.16Å; Q274-R276 VanDerWaalsContact C-N 3.29Å; Q274-R276 PolarHBondContact O-N 3.35Å; Q274-D277 PolarHBondContact O-N 3.25Å; Q274-D277 VanDerWaalsContact O-N 3.1Å; Q274-D278 PolarHBondContact NE2-OD1 2.84Å; Q274-D278 VanDerWaalsContact O-CG 3.24Å; Q274-D278 PolarHBondContact O-N 3.42Å
275I98.8Very high98Very high4 Ų455.2 Ų55.22%0.02131%0.313CS..Hα-helixtrans-59.3-41.4177.5-69.4174000110.9V248 K251 F252 L271 L272 D277 D278 V279V248-I275 HydrophobicContact CB-CG2 4.38Å; V248-I275 HydrophobicContact CG1-CB 4.34Å; V248-I275 HydrophobicContact CG1-CG2 3.91Å; K251-I275 HydrophobicContact CB-CG2 3.71Å; K251-I275 HydrophobicContact CG-CG2 3.64Å; F252-I275 HydrophobicContact CB-CD1 3.92Å; F252-I275 HydrophobicContact CD2-CD1 4Å; F252-I275 HydrophobicContact CG-CD1 4.4Å; L271-I275 HydrophobicContact CD1-CD1 4.06Å; L271-I275 HydrophobicContact CD1-CG1 4.06Å; L271-I275 HydrophobicContact CD2-CD1 4.3Å; L271-I275 HydrophobicContact CG-CD1 3.78Å; L271-I275 HydrophobicContact CG-CG1 4.21Å; L271-I275 WeakPolarHBondContact O-CG1 3.32Å; L271-I275 PolarHBondContact O-N 3.35Å; L272-I275 PolarHBondContact O-N 3.25Å; I275-D277 VanDerWaalsContact C-N 3.33Å; I275-D277 PolarHBondContact O-N 3.37Å; I275-D278 PolarHBondContact O-N 2.95Å; I275-V279 HydrophobicContact CG2-CG2 3.87Å; I275-V279 WeakPolarHBondContact O-CB 3.36Å; I275-V279 WeakPolarHBondContact O-CG2 3.44Å; I275-V279 PolarHBondContact O-N 3.13Å
276R98.7Very high97.9Very high17 Ų1754.5 Ų54.56%0.06432%0.318CS..Hα-helixtrans-54.9-50.6174.1172.1-155.465.6174.7-1111.1V248 L272 R273 Q274 V279 L280 L290 H292 F294V248-R276 HydrophobicContact CG1-CB 4.41Å; V248-R276 HydrophobicContact CG2-CB 3.9Å; V248-R276 HydrophobicContact CG2-CG 4.41Å; L272-R276 WeakPolarHBondContact O-CB 3.48Å; L272-R276 PolarHBondContact O-N 2.83Å; R273-R276 WeakPolarHBondContact O-CB 3.27Å; R273-R276 PolarHBondContact O-N 2.98Å; Q274-R276 VanDerWaalsContact C-N 3.29Å; Q274-R276 PolarHBondContact O-N 3.35Å; R276-V279 PolarHBondContact O-N 3.27Å; R276-L280 HydrophobicContact CG-CD1 3.75Å; R276-L280 HydrophobicContact CG-CG 4.43Å; R276-L280 WeakPolarHBondContact O-CB 3.23Å; R276-L280 WeakPolarHBondContact O-CG 3.45Å; R276-L280 PolarHBondContact O-N 2.94Å; R276-L290 HydrophobicContact CB-CD2 4.48Å; R276-L290 VanDerWaalsContact CD-O 3.27Å; R276-L290 WeakPolarHBondContact CD-O 3.25Å; R276-L290 HydrophobicContact CG-CB 4.11Å; R276-L290 HydrophobicContact CG-CD2 3.93Å; R276-L290 HydrophobicContact CG-CG 4.38Å; R276-L290 PolarHBondContact NH1-O 3.42Å; R276-L290 VanDerWaalsContact NH1-O 3.15Å; R276-H292 VanDerWaalsContact NH1-CA 3.3Å; R276-F294 HydrophobicContact CB-CE1 4.09Å; R276-F294 HydrophobicContact CB-CZ 4.09Å; R276-F294 HydrophobicContact CG-CE1 4.38Å
277D98.6Very high97.6Very high53 Ų5349.2 Ų49.228%0.28330%0.299SS..Hα-helixtrans-63.3-47.7-176.9-65.7-19.4000110.4R273 Q274 I275 V279 L280 E281 S287R273-D277 PolarHBondContact O-N 2.88Å; R273-D277 VanDerWaalsContact O-N 3.08Å; Q274-D277 PolarHBondContact O-N 3.25Å; Q274-D277 VanDerWaalsContact O-N 3.1Å; I275-D277 VanDerWaalsContact C-N 3.33Å; I275-D277 PolarHBondContact O-N 3.37Å; D277-V279 PolarHBondContact O-N 3.21Å; D277-L280 PolarHBondContact O-N 3.24Å; D277-E281 VanDerWaalsContact O-CB 3.23Å; D277-E281 WeakPolarHBondContact O-CB 3.35Å; D277-E281 PolarHBondContact O-N 3.07Å; D277-S287 VanDerWaalsContact OD1-CB 3.25Å; D277-S287 WeakPolarHBondContact OD1-CB 3.35Å
278D98.5Very high97.5Very high78 Ų7854.1 Ų54.142%0.41731%0.311SS..Hα-helixtrans-61.3-43.7178.4-60-16.8000112.3Q274 I275 A282Q274-D278 PolarHBondContact NE2-OD1 2.84Å; Q274-D278 VanDerWaalsContact O-CG 3.24Å; Q274-D278 PolarHBondContact O-N 3.42Å; I275-D278 PolarHBondContact O-N 2.95Å; D278-A282 VanDerWaalsContact O-CB 3.27Å; D278-A282 WeakPolarHBondContact O-CB 3.34Å; D278-A282 PolarHBondContact O-N 3.18Å
279V98.3Very high97.3Very high21 Ų2156 Ų5613%0.12732%0.321CS..Hα-helixtrans-67.9-45.6-178.9165.70000111.1H247 K251 I275 R276 D277 A282 M283H247-V279 HydrophobicContact CB-CG1 3.87Å; K251-V279 HydrophobicContact CB-CG2 4.2Å; K251-V279 HydrophobicContact CG-CG2 4.21Å; I275-V279 HydrophobicContact CG2-CG2 3.87Å; I275-V279 WeakPolarHBondContact O-CB 3.36Å; I275-V279 WeakPolarHBondContact O-CG2 3.44Å; I275-V279 PolarHBondContact O-N 3.13Å; R276-V279 PolarHBondContact O-N 3.27Å; D277-V279 PolarHBondContact O-N 3.21Å; V279-A282 PolarHBondContact O-N 3.41Å; V279-M283 HydrophobicContact CG1-CE 4.01Å; V279-M283 HydrophobicContact CG1-SD 4.48Å; V279-M283 WeakPolarHBondContact O-CG 3.49Å; V279-M283 PolarHBondContact O-N 3.22Å; V279-M283 VanDerWaalsContact O-N 3.16Å
280L97.9Very high97.3Very high1 Ų156.2 Ų56.21%0.00532%0.321CS..Hα-helixtrans-70.2-38.4-179.9-70176.6000111.4F244 R276 D277 M283 G284 L285 L289 L290F244-L280 HydrophobicContact CB-CD2 4.05Å; F244-L280 HydrophobicContact CD1-CD2 3.76Å; F244-L280 HydrophobicContact CG-CD2 4.05Å; R276-L280 HydrophobicContact CG-CD1 3.75Å; R276-L280 HydrophobicContact CG-CG 4.43Å; R276-L280 WeakPolarHBondContact O-CB 3.23Å; R276-L280 WeakPolarHBondContact O-CG 3.45Å; R276-L280 PolarHBondContact O-N 2.94Å; D277-L280 PolarHBondContact O-N 3.24Å; L280-M283 CarbonylContact O-C 3.55Å; L280-M283 PolarHBondContact O-N 3.14Å; L280-M283 VanDerWaalsContact O-N 3.17Å; L280-G284 PolarHBondContact O-N 3.05Å; L280-G284 VanDerWaalsContact O-N 3.15Å; L280-L285 CarbonylContact C-O 3.59Å; L280-L285 HydrophobicContact CB-CB 4.41Å; L280-L285 HydrophobicContact CD2-CB 4.23Å; L280-L285 HydrophobicContact CD2-CD1 4.27Å; L280-L285 PolarHBondContact O-N 3.36Å; L280-L289 HydrophobicContact CD2-CD2 4.4Å; L280-L290 HydrophobicContact CD1-CB 4.2Å
281E97.6Very high97.1Very high150 Ų15055 Ų5570%0.70132%0.315SS*.Hα-helixtrans-60.5-45.7172.8-177.2176.3-160.900111.2D277 M283 G284D277-E281 VanDerWaalsContact O-CB 3.23Å; D277-E281 WeakPolarHBondContact O-CB 3.35Å; D277-E281 PolarHBondContact O-N 3.07Å; E281-M283 PolarHBondContact O-N 3.4Å; E281-G284 WeakPolarHBondContact O-CA 3.23Å; E281-G284 PolarHBondContact O-N 2.79Å
282A96.9Very high96.9Very high92 Ų9257.8 Ų57.876%0.7633%0.326SS*.Hα-helixtrans-62-26.2176.800000113.4D278 V279D278-A282 VanDerWaalsContact O-CB 3.27Å; D278-A282 WeakPolarHBondContact O-CB 3.34Å; D278-A282 PolarHBondContact O-N 3.18Å; V279-A282 PolarHBondContact O-N 3.41Å
283M95.8Very high96.8Very high37 Ų3761.5 Ų61.518%0.18235%0.346CS..THydrogen-bonded Turntrans-85.7-4.4172.5-67.5-178-178.600113.6F244 H247 V279 L280 E281 L285F244-M283 HydrophobicContact CD1-SD 4.1Å; F244-M283 HydrophobicContact CE1-SD 4.26Å; H247-M283 HydrophobicContact CB-CE 4.11Å; V279-M283 HydrophobicContact CG1-CE 4.01Å; V279-M283 HydrophobicContact CG1-SD 4.48Å; V279-M283 WeakPolarHBondContact O-CG 3.49Å; V279-M283 PolarHBondContact O-N 3.22Å; V279-M283 VanDerWaalsContact O-N 3.16Å; L280-M283 CarbonylContact O-C 3.55Å; L280-M283 PolarHBondContact O-N 3.14Å; L280-M283 VanDerWaalsContact O-N 3.17Å; E281-M283 PolarHBondContact O-N 3.4Å; M283-L285 HydrophobicContact CB-CD1 3.91Å; M283-L285 HydrophobicContact CB-CG 3.98Å; M283-L285 HydrophobicContact SD-CD1 4.38Å
284G95.4Very high96.8Very high65 Ų6559 Ų5967%0.6734%0.337SS*.THydrogen-bonded Turntrans70.331.3-174.700000113.7L280 E281L280-G284 PolarHBondContact O-N 3.05Å; L280-G284 VanDerWaalsContact O-N 3.15Å; E281-G284 WeakPolarHBondContact O-CA 3.23Å; E281-G284 PolarHBondContact O-N 2.79Å
285L96.4Very high96.8Very high24 Ų2454.2 Ų54.213%0.12632%0.315CS..  trans-115.5154.9-175.5-61.9178000111.9W227 L236 F244 L280 M283 L289W227-L285 HydrophobicContact CB-CD1 4.36Å; W227-L285 HydrophobicContact CB-CD2 4.11Å; W227-L285 HydrophobicContact CB-CG 4.33Å; W227-L285 HydrophobicContact CD2-CD1 4.3Å; W227-L285 HydrophobicContact CG-CD1 3.98Å; W227-L285 HydrophobicContact CG-CD2 4.48Å; W227-L285 HydrophobicContact CG-CG 4.48Å; L236-L285 HydrophobicContact CD1-CD1 4.29Å; L236-L285 HydrophobicContact CD1-CD2 4.16Å; L236-L285 HydrophobicContact CD2-CD2 3.64Å; F244-L285 HydrophobicContact CD1-CD1 4Å; F244-L285 HydrophobicContact CE1-CD1 3.32Å; F244-L285 HydrophobicContact CZ-CD1 3.94Å; L280-L285 CarbonylContact C-O 3.59Å; L280-L285 HydrophobicContact CB-CB 4.41Å; L280-L285 HydrophobicContact CD2-CB 4.23Å; L280-L285 HydrophobicContact CD2-CD1 4.27Å; L280-L285 PolarHBondContact O-N 3.36Å; M283-L285 HydrophobicContact CB-CD1 3.91Å; M283-L285 HydrophobicContact CB-CG 3.98Å; M283-L285 HydrophobicContact SD-CD1 4.38Å; L285-L289 HydrophobicContact CD1-CD2 4.01Å
286S95.5Very high96.7Very high68 Ų6857.2 Ų57.248%0.47634%0.336SS..  trans-72.1138.5174.9178.30000111.1E288 L289S286-E288 PolarHBondContact O-N 3.38Å; S286-E288 WeakPolarHBondContact OG-CB 3.43Å; S286-E288 PolarHBondContact OG-N 3.47Å; S286-L289 VanDerWaalsContact O-CB 3.31Å; S286-L289 WeakPolarHBondContact O-CB 3.37Å; S286-L289 PolarHBondContact O-N 3.02Å; S286-L289 VanDerWaalsContact O-N 3.14Å
287S93.2Very high96.6Very high52 Ų5260.1 Ų60.136%0.36435%0.348SS..G310 helixtrans-63-18.3173.458.10000113.4D277 L289 L290D277-S287 VanDerWaalsContact OD1-CB 3.25Å; D277-S287 WeakPolarHBondContact OD1-CB 3.35Å; S287-L289 PolarHBondContact O-N 3.31Å; S287-L290 PolarHBondContact O-N 2.99Å; S287-L290 VanDerWaalsContact O-O 3.13Å
288E94.8Very high96.6Very high168 Ų16857.6 Ų57.679%0.78534%0.335SS*.G310 helixtrans-64.9-17.4174.5-63-178.2161.800113.3S286 L290S286-E288 PolarHBondContact O-N 3.38Å; S286-E288 WeakPolarHBondContact OG-CB 3.43Å; S286-E288 PolarHBondContact OG-N 3.47Å; E288-L290 VanDerWaalsContact C-N 3.27Å; E288-L290 PolarHBondContact O-N 2.81Å
289L95.6Very high96.6Very high43 Ų4355 Ų5523%0.22532%0.319CS..G310 helixtrans-64.8-32.5179.6-17163.6000112.6L236 V241 F244 L280 L285 S286 S287L236-L289 HydrophobicContact CD1-CD2 3.93Å; V241-L289 VanDerWaalsContact CG1-O 3.3Å; V241-L289 WeakPolarHBondContact CG1-O 3.42Å; F244-L289 HydrophobicContact CD1-CD2 4.12Å; F244-L289 HydrophobicContact CD2-CD2 3.53Å; F244-L289 HydrophobicContact CD2-CG 3.98Å; F244-L289 HydrophobicContact CE1-CD2 3.94Å; F244-L289 HydrophobicContact CE2-CD2 3.34Å; F244-L289 HydrophobicContact CE2-CG 4.06Å; F244-L289 HydrophobicContact CG-CD2 3.94Å; F244-L289 HydrophobicContact CZ-CD2 3.56Å; L280-L289 HydrophobicContact CD2-CD2 4.4Å; L285-L289 HydrophobicContact CD1-CD2 4.01Å; S286-L289 VanDerWaalsContact O-CB 3.31Å; S286-L289 WeakPolarHBondContact O-CB 3.37Å; S286-L289 PolarHBondContact O-N 3.02Å; S286-L289 VanDerWaalsContact O-N 3.14Å; S287-L289 PolarHBondContact O-N 3.31Å
290L97.3Very high96.4Very high5 Ų555.7 Ų55.73%0.02633%0.325CS..SBendtrans-114.4103.2172.5-175.462.9000109.3V241 L245 V248 R276 L280 S287 E288 F294V241-L290 HydrophobicContact CG1-CB 4.44Å; V241-L290 HydrophobicContact CG1-CD1 3.46Å; V241-L290 VanDerWaalsContact CG1-CD1 3.46Å; L245-L290 HydrophobicContact CB-CD1 4.23Å; L245-L290 HydrophobicContact CB-CD2 4.45Å; L245-L290 HydrophobicContact CD1-CD2 4.32Å; V248-L290 HydrophobicContact CG2-CD2 4.09Å; R276-L290 HydrophobicContact CB-CD2 4.48Å; R276-L290 VanDerWaalsContact CD-O 3.27Å; R276-L290 WeakPolarHBondContact CD-O 3.25Å; R276-L290 HydrophobicContact CG-CB 4.11Å; R276-L290 HydrophobicContact CG-CD2 3.93Å; R276-L290 HydrophobicContact CG-CG 4.38Å; R276-L290 PolarHBondContact NH1-O 3.42Å; R276-L290 VanDerWaalsContact NH1-O 3.15Å; L280-L290 HydrophobicContact CD1-CB 4.2Å; S287-L290 PolarHBondContact O-N 2.99Å; S287-L290 VanDerWaalsContact O-O 3.13Å; E288-L290 VanDerWaalsContact C-N 3.27Å; E288-L290 PolarHBondContact O-N 2.81Å; L290-F294 HydrophobicContact CD1-CB 3.89Å; L290-F294 HydrophobicContact CD1-CG 4.18Å; L290-F294 HydrophobicContact CD2-CD1 4.06Å; L290-F294 HydrophobicContact CD2-CD2 3.99Å; L290-F294 HydrophobicContact CD2-CE1 4.18Å; L290-F294 HydrophobicContact CD2-CE2 4.1Å; L290-F294 HydrophobicContact CD2-CG 3.94Å; L290-F294 HydrophobicContact CD2-CZ 4.18Å; L290-F294 HydrophobicContact CG-CB 4.08Å; L290-F294 HydrophobicContact CG-CD1 3.96Å; L290-F294 HydrophobicContact CG-CD2 4.42Å; L290-F294 HydrophobicContact CG-CE1 4.48Å; L290-F294 HydrophobicContact CG-CG 3.89Å
291P95.8Very high96.2Very high65 Ų6557 Ų5742%0.42233%0.331SS..  trans-53.6141.4-175.9-29.937.2000113.1D293 F294P291-D293 WeakPolarHBondContact CB-OD1 3.37Å; P291-D293 PolarHBondContact O-N 3.33Å; P291-F294 WeakPolarHBondContact O-CB 3.46Å; P291-F294 WeakPolarHBondContact O-CD1 3.25Å; P291-F294 PolarHBondContact O-N 3.22Å
292H94.8Very high96.2Very high108 Ų10852.6 Ų52.650%0.531%0.312SS..G310 helixtrans-59.3-22.7-174-177.3-86.1000115R273 R276 F294R273-H292 VanDerWaalsContact CD-NE2 3.29Å; R273-H292 WeakPolarHBondContact CD-NE2 3.44Å; R273-H292 PolarHBondContact NE-CE1 3.1Å; R273-H292 PolarHBondContact NE-NE2 3.08Å; R276-H292 VanDerWaalsContact NH1-CA 3.3Å; H292-F294 VanDerWaalsContact C-N 3.31Å
293D96.4Very high96.2Very high78 Ų7851.3 Ų51.342%0.41730%0.301SS..G310 helixtrans-83.2-0.3178.166.4-36.8000114P291 V295 S296P291-D293 WeakPolarHBondContact CB-OD1 3.37Å; P291-D293 PolarHBondContact O-N 3.33Å; D293-V295 PolarHBondContact O-N 2.88Å; D293-S296 VanDerWaalsContact O-CB 3.31Å; D293-S296 WeakPolarHBondContact O-CB 3.4Å; D293-S296 PolarHBondContact O-N 2.76Å; D293-S296 PolarHBondContact O-OG 2.83Å
294F97.9Very high96.3Very high10 Ų1054 Ų544%0.04432%0.321CS..G310 helixtrans-51.7-33.9178.980.6-85.6000113.6L245 V248 L272 R273 R276 L290 P291 H292 S296 Y297L245-F294 HydrophobicContact CD1-CD2 3.51Å; L245-F294 HydrophobicContact CD1-CE2 3.94Å; V248-F294 HydrophobicContact CG1-CE2 4.09Å; V248-F294 HydrophobicContact CG1-CZ 4.08Å; L272-F294 HydrophobicContact CB-CE2 4.23Å; L272-F294 HydrophobicContact CB-CZ 3.93Å; R273-F294 HydrophobicContact CG-CE1 4.22Å; R276-F294 HydrophobicContact CB-CE1 4.09Å; R276-F294 HydrophobicContact CB-CZ 4.09Å; R276-F294 HydrophobicContact CG-CE1 4.38Å; L290-F294 HydrophobicContact CD1-CB 3.89Å; L290-F294 HydrophobicContact CD1-CG 4.18Å; L290-F294 HydrophobicContact CD2-CD1 4.06Å; L290-F294 HydrophobicContact CD2-CD2 3.99Å; L290-F294 HydrophobicContact CD2-CE1 4.18Å; L290-F294 HydrophobicContact CD2-CE2 4.1Å; L290-F294 HydrophobicContact CD2-CG 3.94Å; L290-F294 HydrophobicContact CD2-CZ 4.18Å; L290-F294 HydrophobicContact CG-CB 4.08Å; L290-F294 HydrophobicContact CG-CD1 3.96Å; L290-F294 HydrophobicContact CG-CD2 4.42Å; L290-F294 HydrophobicContact CG-CE1 4.48Å; L290-F294 HydrophobicContact CG-CG 3.89Å; P291-F294 WeakPolarHBondContact O-CB 3.46Å; P291-F294 WeakPolarHBondContact O-CD1 3.25Å; P291-F294 PolarHBondContact O-N 3.22Å; H292-F294 VanDerWaalsContact C-N 3.31Å; F294-S296 PolarHBondContact O-N 3.49Å; F294-S296 VanDerWaalsContact O-N 3.1Å; F294-Y297 PolarHBondContact O-N 3.3Å
295V98.1Very high96.5Very high0 Ų051.1 Ų51.10%029%0.29CS..G310 helixtrans-61.1-18.4178.9-62.10000113.5A269 L272 R273 D293 Y297 F299A269-V295 HydrophobicContact CB-CB 4.06Å; A269-V295 HydrophobicContact CB-CG1 4.36Å; A269-V295 HydrophobicContact CB-CG2 4.08Å; L272-V295 HydrophobicContact CB-CG1 3.8Å; L272-V295 HydrophobicContact CD1-CG1 4.11Å; R273-V295 HydrophobicContact CG-CG1 4.12Å; R273-V295 VanDerWaalsContact NH2-CG2 3.27Å; D293-V295 PolarHBondContact O-N 2.88Å; V295-Y297 PolarHBondContact O-N 3.45Å; V295-F299 HydrophobicContact CB-CE2 4.26Å; V295-F299 WeakPolarHBondContact O-CD2 3.31Å; V295-F299 WeakPolarHBondContact O-CE2 3.3Å
296S97.4Very high96.6Very high67 Ų6750.1 Ų50.147%0.46929%0.285SS..G310 helixtrans-72.9-13.1176.6-54.20000113D293 F294D293-S296 VanDerWaalsContact O-CB 3.31Å; D293-S296 WeakPolarHBondContact O-CB 3.4Å; D293-S296 PolarHBondContact O-N 2.76Å; D293-S296 PolarHBondContact O-OG 2.83Å; F294-S296 PolarHBondContact O-N 3.49Å; F294-S296 VanDerWaalsContact O-N 3.1Å
297Y97.5Very high96.8Very high77 Ų7748.8 Ų48.830%0.30228%0.278SS..SBendtrans-129.57.3-166.2-48.6-65.8000113.9Y162 H163 F294 V295 M337Y162-Y297 HydrophobicContact CD2-CD1 4.4Å; Y162-Y297 PolarHBondContact N-O 2.81Å; H163-Y297 PolarHBondContact ND1-O 2.85Å; F294-Y297 PolarHBondContact O-N 3.3Å; V295-Y297 PolarHBondContact O-N 3.45Å; Y297-M337 HydrophobicContact CD1-CE 3.94Å; Y297-M337 HydrophobicContact CD1-CG 3.91Å; Y297-M337 HydrophobicContact CD1-SD 3.85Å; Y297-M337 HydrophobicContact CE1-CE 3.63Å; Y297-M337 HydrophobicContact CE1-CG 4.42Å; Y297-M337 HydrophobicContact CE1-SD 4.18Å; Y297-M337 HydrophobicContact CG-CG 4.2Å
298C97.8Very high97Very high1 Ų149 Ų491%0.00728%0.277CS..  trans-125.827.9-172.672.70000114.8F160 L245 L249F160-C298 HydrophobicContact CB-CB 4.34Å; F160-C298 WeakPolarHBondContact O-CA 3.43Å; L245-C298 HydrophobicContact CD1-CB 4.28Å; L249-C298 HydrophobicContact CD1-CB 4.45Å; L249-C298 HydrophobicContact CD2-CB 4.49Å
299F97.6Very high97.2Very high23 Ų2341 Ų4110%0.10124%0.24CC..SBendtrans-111.5146.5179-79.4-108.2000111.7G161 P260 F265 D268 A269 L272 V295G161-F299 WeakPolarHBondContact CA-O 3.47Å; G161-F299 PolarHBondContact N-O 3.41Å; P260-F299 HydrophobicContact CB-CD1 3.66Å; P260-F299 HydrophobicContact CB-CD2 4.39Å; P260-F299 HydrophobicContact CB-CE1 3.47Å; P260-F299 VanDerWaalsContact CB-CE1 3.47Å; P260-F299 HydrophobicContact CB-CE2 4.21Å; P260-F299 HydrophobicContact CB-CG 4.14Å; P260-F299 HydrophobicContact CB-CZ 3.77Å; F265-F299 AromaticContact CD2-CD1 3.96Å; F265-F299 HydrophobicContact CD2-CD1 3.96Å; F265-F299 HydrophobicContact CD2-CD2 4.06Å; F265-F299 AromaticContact CD2-CE1 3.72Å; F265-F299 HydrophobicContact CD2-CE1 3.72Å; F265-F299 AromaticContact CD2-CE2 3.84Å; F265-F299 HydrophobicContact CD2-CE2 3.84Å; F265-F299 HydrophobicContact CD2-CG 4.12Å; F265-F299 AromaticContact CD2-CZ 3.65Å; F265-F299 HydrophobicContact CD2-CZ 3.65Å; F265-F299 AromaticContact CE2-CD2 3.92Å; F265-F299 HydrophobicContact CE2-CD2 3.92Å; F265-F299 HydrophobicContact CE2-CE1 4.44Å; F265-F299 AromaticContact CE2-CE2 3.71Å; F265-F299 HydrophobicContact CE2-CE2 3.71Å; F265-F299 HydrophobicContact CE2-CG 4.38Å; F265-F299 AromaticContact CE2-CZ 3.98Å; F265-F299 HydrophobicContact CE2-CZ 3.98Å; D268-F299 HydrophobicContact CB-CE1 3.8Å; D268-F299 HydrophobicContact CB-CZ 3.88Å; A269-F299 HydrophobicContact CB-CZ 4.32Å; L272-F299 HydrophobicContact CD1-CE2 3.76Å; L272-F299 HydrophobicContact CD1-CZ 3.84Å; V295-F299 HydrophobicContact CB-CE2 4.26Å; V295-F299 WeakPolarHBondContact O-CD2 3.31Å; V295-F299 WeakPolarHBondContact O-CE2 3.3Å
300S94.6Very high97.4Very high36 Ų3638.9 Ų38.925%0.25223%0.229SC..SBendtrans61.5179.1-179.4-63.80000114.8G161 P262G161-S300 PolarHBondContact N-O 3.16Å; P262-S300 VanDerWaalsContact CD-OG 3.31Å; P262-S300 WeakPolarHBondContact CD-OG 3.24Å; P262-S300 WeakPolarHBondContact CG-OG 3.4Å
301E94.9Very high97.4Very high28 Ų2840 Ų4013%0.13124%0.242CC..BIsolated β-bridgetrans-105.7119.8170.2-75.8-174.9-147.900110R46 G47 L48 V159R46-E301 VanDerWaalsContact CB-OE1 3.23Å; R46-E301 WeakPolarHBondContact CB-OE1 3.3Å; R46-E301 VanDerWaalsContact CD-OE1 3.27Å; R46-E301 WeakPolarHBondContact CD-OE1 3.41Å; R46-E301 IonicContact CZ-OE1 3.49Å; R46-E301 IonicContact NE-OE1 2.71Å; R46-E301 PolarHBondContact NE-OE1 3.35Å; R46-E301 IonicContact NH1-OE1 3.96Å; R46-E301 IonicContact NH2-OE1 3.95Å; R46-E301 PolarHBondContact NH2-OE1 2.8Å; G47-E301 VanDerWaalsContact CA-OE2 3.28Å; G47-E301 WeakPolarHBondContact CA-OE2 3.41Å; G47-E301 PolarHBondContact N-OE2 2.77Å; L48-E301 PolarHBondContact N-OE2 3.44Å; V159-E301 HydrophobicContact CB-CG 4.3Å; V159-E301 HydrophobicContact CG1-CG 4.47Å
302M96.4Very high97.6Very high58 Ų5838.5 Ų38.529%0.28623%0.231SC..  trans-91.7123.3176.5-60.6-166.490.900110.2G161 Y162 P304 V305 C306G161-M302 WeakPolarHBondContact O-CG 3.42Å; Y162-M302 HydrophobicContact CD1-SD 3.76Å; Y162-M302 HydrophobicContact CD2-SD 3.64Å; Y162-M302 HydrophobicContact CE1-CE 3.93Å; Y162-M302 HydrophobicContact CE1-SD 3.64Å; Y162-M302 HydrophobicContact CE2-CE 3.96Å; Y162-M302 HydrophobicContact CE2-SD 3.51Å; Y162-M302 VanDerWaalsContact CE2-SD 3.51Å; Y162-M302 HydrophobicContact CG-SD 3.77Å; Y162-M302 VanDerWaalsContact CZ-SD 3.52Å; M302-P304 VanDerWaalsContact C-CD 3.47Å; M302-P304 VanDerWaalsContact C-N 3.34Å; M302-V305 HydrophobicContact CB-CB 4.24Å; M302-V305 HydrophobicContact CB-CG2 3.86Å; M302-V305 WeakPolarHBondContact O-CA 3.4Å; M302-V305 WeakPolarHBondContact O-CB 3.3Å; M302-V305 PolarHBondContact O-N 3.31Å; M302-C306 PolarHBondContact O-N 3.25Å; M302-C306 PolarHBondContact O-SG 3.34Å
303A97.6Very high97.8Very high64 Ų6433.3 Ų33.353%0.52921%0.207SC..Hα-helixtrans-50.8-42.6-178.400000114.4V305 C306 A307A303-V305 VanDerWaalsContact C-N 3.29Å; A303-V305 PolarHBondContact O-N 3.04Å; A303-C306 PolarHBondContact O-N 2.93Å; A303-A307 PolarHBondContact O-N 2.88Å
304P98.3Very high97.9Very high93 Ų9329.7 Ų29.760%0.60419%0.188SC*.Hα-helixtrans-61.2-36.3175.2-24.235.5000113.5M302 A307 V308M302-P304 VanDerWaalsContact C-CD 3.47Å; M302-P304 VanDerWaalsContact C-N 3.34Å; P304-A307 PolarHBondContact O-N 3.36Å; P304-V308 WeakPolarHBondContact O-CG2 3.26Å; P304-V308 PolarHBondContact O-N 3.06Å
305V98.7Very high97.9Very high5 Ų532.8 Ų32.83%0.0320%0.203CC..Hα-helixtrans-74.2-40.7179.7-174.70000110.3V159 G161 M302 A303 A307 V308 V309 F334V159-V305 HydrophobicContact CB-CG1 4.37Å; V159-V305 HydrophobicContact CG1-CB 3.79Å; V159-V305 HydrophobicContact CG1-CG1 3.56Å; V159-V305 HydrophobicContact CG2-CG1 3.96Å; G161-V305 WeakPolarHBondContact O-CG2 3.37Å; M302-V305 HydrophobicContact CB-CB 4.24Å; M302-V305 HydrophobicContact CB-CG2 3.86Å; M302-V305 WeakPolarHBondContact O-CA 3.4Å; M302-V305 WeakPolarHBondContact O-CB 3.3Å; M302-V305 PolarHBondContact O-N 3.31Å; A303-V305 VanDerWaalsContact C-N 3.29Å; A303-V305 PolarHBondContact O-N 3.04Å; V305-A307 VanDerWaalsContact C-N 3.27Å; V305-A307 PolarHBondContact O-N 2.88Å; V305-V308 PolarHBondContact O-N 2.96Å; V305-V309 HydrophobicContact CG1-CG2 4.1Å; V305-V309 WeakPolarHBondContact O-CB 3.49Å; V305-V309 WeakPolarHBondContact O-CG2 3.41Å; V305-V309 PolarHBondContact O-N 3Å; V305-F334 HydrophobicContact CG1-CD1 3.86Å; V305-F334 HydrophobicContact CG1-CE1 4.12Å; V305-F334 HydrophobicContact CG2-CE1 4.24Å
306C98.6Very high98Very high3 Ų332.9 Ų32.92%0.0220%0.203CC..Hα-helixtrans-56.6-41.9170.7-63.10000111.7E51 M302 A303 G310E51-C306 HydrophobicContact CG-CB 4.3Å; M302-C306 PolarHBondContact O-N 3.25Å; M302-C306 PolarHBondContact O-SG 3.34Å; A303-C306 PolarHBondContact O-N 2.93Å; C306-G310 VanDerWaalsContact O-CA 3.3Å; C306-G310 WeakPolarHBondContact O-CA 3.31Å; C306-G310 PolarHBondContact O-N 2.71Å
307A98.7Very high98Very high40 Ų4029.7 Ų29.733%0.33118%0.181SC..Hα-helixtrans-65.8-43.7177.400000112.5A303 P304 V305 G311A303-A307 PolarHBondContact O-N 2.88Å; P304-A307 PolarHBondContact O-N 3.36Å; V305-A307 VanDerWaalsContact C-N 3.27Å; V305-A307 PolarHBondContact O-N 2.88Å; A307-G311 PolarHBondContact O-N 2.85Å
308V98.8Very high98.1Very high56 Ų5626.3 Ų26.334%0.33917%0.168SC..Hα-helixtrans-64.5-55177.8171.70000110.9P304 V305 G311 V312 F334P304-V308 WeakPolarHBondContact O-CG2 3.26Å; P304-V308 PolarHBondContact O-N 3.06Å; V305-V308 PolarHBondContact O-N 2.96Å; V308-G311 PolarHBondContact O-N 3.05Å; V308-V312 WeakPolarHBondContact O-CG2 3.21Å; V308-V312 PolarHBondContact O-N 3.43Å; V308-F334 HydrophobicContact CB-CE1 4.35Å; V308-F334 HydrophobicContact CB-CZ 4.33Å; V308-F334 HydrophobicContact CG1-CD1 4.22Å; V308-F334 HydrophobicContact CG1-CD2 3.71Å; V308-F334 HydrophobicContact CG1-CE1 4.22Å; V308-F334 HydrophobicContact CG1-CE2 3.74Å; V308-F334 HydrophobicContact CG1-CG 3.94Å; V308-F334 HydrophobicContact CG1-CZ 3.98Å; V308-F334 HydrophobicContact CG2-CZ 4.17Å
309V98.9Very high98.1Very high0 Ų027.8 Ų27.80%017%0.174CC..Hα-helixtrans-67.8-40.6-176.3179.60000110.7L48 V159 Y165 V305 G311 V312 L313 F334L48-V309 HydrophobicContact CD1-CB 4.01Å; L48-V309 HydrophobicContact CD1-CG1 3.86Å; L48-V309 HydrophobicContact CD2-CG1 4.39Å; V159-V309 HydrophobicContact CG2-CB 4.15Å; V159-V309 HydrophobicContact CG2-CG2 4.19Å; Y165-V309 WeakPolarHBondContact O-CG1 3.49Å; V305-V309 HydrophobicContact CG1-CG2 4.1Å; V305-V309 WeakPolarHBondContact O-CB 3.49Å; V305-V309 WeakPolarHBondContact O-CG2 3.41Å; V305-V309 PolarHBondContact O-N 3Å; V309-G311 VanDerWaalsContact C-N 3.33Å; V309-G311 PolarHBondContact O-N 3.15Å; V309-V312 PolarHBondContact O-N 2.8Å; V309-L313 VanDerWaalsContact O-CB 3.29Å; V309-L313 WeakPolarHBondContact O-CB 3.33Å; V309-L313 PolarHBondContact O-N 2.83Å; V309-F334 HydrophobicContact CG2-CB 4.11Å; V309-F334 HydrophobicContact CG2-CD1 4.43Å
310G98.8Very high98.2Very high0 Ų026.7 Ų26.70%017%0.169CC..Hα-helixtrans-67.4-32176.900000113.3L48 N55 C306 G314L48-G310 VanDerWaalsContact CD1-CA 3.49Å; L48-G310 VanDerWaalsContact CD1-N 3.34Å; N55-G310 PolarHBondContact ND2-O 3.48Å; C306-G310 VanDerWaalsContact O-CA 3.3Å; C306-G310 WeakPolarHBondContact O-CA 3.31Å; C306-G310 PolarHBondContact O-N 2.71Å; G310-G314 PolarHBondContact O-N 3.48Å
311G98.8Very high98.4Very high28 Ų2825.3 Ų25.329%0.28916%0.159SC..Hα-helixtrans-62.4-50.9169.100000112.2N55 A307 V308 V309 Q315N55-G311 WeakPolarHBondContact ND2-CA 3.28Å; N55-G311 PolarHBondContact ND2-N 2.91Å; A307-G311 PolarHBondContact O-N 2.85Å; V308-G311 PolarHBondContact O-N 3.05Å; V309-G311 VanDerWaalsContact C-N 3.33Å; V309-G311 PolarHBondContact O-N 3.15Å; G311-Q315 VanDerWaalsContact O-CB 3.32Å; G311-Q315 WeakPolarHBondContact O-CB 3.28Å; G311-Q315 PolarHBondContact O-N 3.38Å
312V98.8Very high98.5Very high33 Ų3324.1 Ų24.120%0.215%0.154CC..Hα-helixtrans-65.8-48.9-179.6176.30000110.9M166 V308 V309 G314 Q315 E316 F332M166-V312 HydrophobicContact SD-CB 4.48Å; M166-V312 HydrophobicContact SD-CG1 3.6Å; M166-V312 VanDerWaalsContact SD-CG1 3.6Å; V308-V312 WeakPolarHBondContact O-CG2 3.21Å; V308-V312 PolarHBondContact O-N 3.43Å; V309-V312 PolarHBondContact O-N 2.8Å; V312-G314 PolarHBondContact O-N 3.15Å; V312-Q315 PolarHBondContact O-N 3.45Å; V312-E316 WeakPolarHBondContact O-CG 3.25Å; V312-E316 PolarHBondContact O-N 2.97Å; V312-F332 HydrophobicContact CB-CD1 4.37Å; V312-F332 HydrophobicContact CB-CE1 4.11Å; V312-F332 HydrophobicContact CB-CZ 4.41Å; V312-F332 HydrophobicContact CG1-CD1 3.82Å; V312-F332 HydrophobicContact CG1-CD2 4.21Å; V312-F332 HydrophobicContact CG1-CE1 3.98Å; V312-F332 HydrophobicContact CG1-CE2 4.35Å; V312-F332 HydrophobicContact CG1-CG 3.93Å; V312-F332 HydrophobicContact CG1-CZ 4.24Å; V312-F332 HydrophobicContact CG2-CE1 4.12Å; V312-F332 HydrophobicContact CG2-CE2 4.46Å; V312-F332 HydrophobicContact CG2-CZ 3.95Å
313L98.9Very high98.5Very high0 Ų025 Ų250%016%0.157CC..Hα-helixtrans-60.3-48.6177.3-168.5162.6000111.4V52 F155 M166 V309 Q315 E316 V317V52-L313 HydrophobicContact CB-CD2 4.48Å; V52-L313 HydrophobicContact CG1-CD2 3.77Å; V52-L313 HydrophobicContact CG2-CB 4.28Å; V52-L313 HydrophobicContact CG2-CD1 4.36Å; V52-L313 HydrophobicContact CG2-CD2 3.78Å; V52-L313 HydrophobicContact CG2-CG 4.36Å; F155-L313 HydrophobicContact CB-CD2 4.39Å; M166-L313 HydrophobicContact CB-CB 4.24Å; M166-L313 HydrophobicContact CB-CD1 4.11Å; M166-L313 HydrophobicContact CB-CG 4.24Å; M166-L313 HydrophobicContact CE-CB 4.45Å; M166-L313 HydrophobicContact CE-CG 4.36Å; M166-L313 HydrophobicContact SD-CB 4.26Å; V309-L313 VanDerWaalsContact O-CB 3.29Å; V309-L313 WeakPolarHBondContact O-CB 3.33Å; V309-L313 PolarHBondContact O-N 2.83Å; L313-Q315 VanDerWaalsContact C-N 3.31Å; L313-Q315 PolarHBondContact O-N 3.24Å; L313-E316 PolarHBondContact O-N 3.02Å; L313-V317 HydrophobicContact CD2-CG2 3.91Å; L313-V317 WeakPolarHBondContact O-CG2 3.35Å; L313-V317 PolarHBondContact O-N 3.47Å
314G98.8Very high98.5Very high1 Ų123.1 Ų23.11%0.0114%0.136CC..Hα-helixtrans-58.5-41.9177.300000112.7G310 V312 V317 V318G310-G314 PolarHBondContact O-N 3.48Å; V312-G314 PolarHBondContact O-N 3.15Å; G314-V317 PolarHBondContact O-N 3.14Å; G314-V318 WeakPolarHBondContact O-CG2 3.39Å; G314-V318 PolarHBondContact O-N 2.99Å; G314-V318 VanDerWaalsContact O-N 3.08Å
315Q98.8Very high98.4Very high76 Ų7621.4 Ų21.436%0.35512%0.122SC..Hα-helixtrans-66.1-39.2177.4-175.160.147.700112.4G311 V312 L313 V317 V318 K319G311-Q315 VanDerWaalsContact O-CB 3.32Å; G311-Q315 WeakPolarHBondContact O-CB 3.28Å; G311-Q315 PolarHBondContact O-N 3.38Å; V312-Q315 PolarHBondContact O-N 3.45Å; L313-Q315 VanDerWaalsContact C-N 3.31Å; L313-Q315 PolarHBondContact O-N 3.24Å; Q315-V317 VanDerWaalsContact C-N 3.35Å; Q315-V318 PolarHBondContact O-N 3.31Å; Q315-K319 WeakPolarHBondContact O-CG 3.45Å; Q315-K319 PolarHBondContact O-N 3.4Å
316E98.9Very high98.3Very high2 Ų222.9 Ų22.91%0.00914%0.135CC..Hα-helixtrans-68.1-34.9178-70.3-55.911900112.3F155 M166 V312 L313 K319 A320 P327 H328F155-E316 HydrophobicContact CE1-CB 4.08Å; M166-E316 HydrophobicContact CE-CB 3.57Å; M166-E316 HydrophobicContact CE-CG 3.71Å; M166-E316 HydrophobicContact SD-CB 4.19Å; M166-E316 HydrophobicContact SD-CG 3.74Å; V312-E316 WeakPolarHBondContact O-CG 3.25Å; V312-E316 PolarHBondContact O-N 2.97Å; L313-E316 PolarHBondContact O-N 3.02Å; E316-K319 PolarHBondContact O-N 3.16Å; E316-K319 WeakPolarHBondContact OE1-CD 3.45Å; E316-K319 WeakPolarHBondContact OE1-CE 3.45Å; E316-K319 IonicContact OE1-NZ 2.72Å; E316-K319 PolarHBondContact OE1-NZ 3.46Å; E316-A320 WeakPolarHBondContact O-CB 3.39Å; E316-A320 PolarHBondContact O-N 3.04Å; E316-P327 VanDerWaalsContact OE2-CA 3.28Å; E316-P327 WeakPolarHBondContact OE2-CA 3.31Å; E316-H328 HydrophobicContact CG-CB 4.39Å; E316-H328 IonicContact OE1-CD2 3.83Å; E316-H328 IonicContact OE1-CE1 2.72Å; E316-H328 IonicContact OE1-CG 2.7Å; E316-H328 IonicContact OE1-ND1 2.87Å; E316-H328 IonicContact OE1-NE2 3.23Å; E316-H328 IonicContact OE2-CG 3.75Å; E316-H328 PolarHBondContact OE2-N 3.27Å
317V98.9Very high98.3Very high0 Ų023.5 Ų23.50%014%0.139CC..Hα-helixtrans-61.3-46169.7176.10000110.5V40 L56 A129 C131 F155 L313 G314 Q315 A320 L321V40-V317 HydrophobicContact CG2-CG1 4.42Å; L56-V317 HydrophobicContact CD1-CG1 4.33Å; L56-V317 HydrophobicContact CD2-CB 3.85Å; L56-V317 HydrophobicContact CD2-CG1 3.55Å; A129-V317 HydrophobicContact CB-CG1 4.45Å; C131-V317 WeakPolarHBondContact SG-CG2 3.46Å; F155-V317 HydrophobicContact CB-CG2 4.47Å; F155-V317 HydrophobicContact CD1-CG2 4.05Å; F155-V317 HydrophobicContact CD2-CG2 3.62Å; F155-V317 HydrophobicContact CE1-CG2 4.14Å; F155-V317 HydrophobicContact CE2-CB 4.27Å; F155-V317 HydrophobicContact CE2-CG1 4.47Å; F155-V317 HydrophobicContact CE2-CG2 3.74Å; F155-V317 HydrophobicContact CG-CG2 3.78Å; F155-V317 HydrophobicContact CZ-CB 4.34Å; F155-V317 HydrophobicContact CZ-CG2 3.99Å; L313-V317 HydrophobicContact CD2-CG2 3.91Å; L313-V317 WeakPolarHBondContact O-CG2 3.35Å; L313-V317 PolarHBondContact O-N 3.47Å; G314-V317 PolarHBondContact O-N 3.14Å; Q315-V317 VanDerWaalsContact C-N 3.35Å; V317-A320 PolarHBondContact O-N 2.89Å; V317-L321 HydrophobicContact CG1-CD1 3.76Å; V317-L321 HydrophobicContact CG1-CG 4.32Å; V317-L321 WeakPolarHBondContact O-CB 3.18Å; V317-L321 WeakPolarHBondContact O-CG 3.33Å; V317-L321 PolarHBondContact O-N 2.72Å
318V98.6Very high98.2Very high5 Ų524.3 Ų24.33%0.0314%0.136CC..Hα-helixtrans-61-47.1177.7169.90000111.6W27 L35 L56 A59 G314 Q315 A320 L321 S322W27-V318 HydrophobicContact CE3-CG1 4.23Å; W27-V318 HydrophobicContact CH2-CG1 3.82Å; W27-V318 HydrophobicContact CZ2-CG1 4.38Å; W27-V318 HydrophobicContact CZ3-CG1 3.73Å; L35-V318 HydrophobicContact CD1-CG2 4.34Å; L35-V318 HydrophobicContact CD2-CG1 4.21Å; L35-V318 HydrophobicContact CD2-CG2 4.45Å; L56-V318 HydrophobicContact CD2-CG2 4.23Å; A59-V318 HydrophobicContact CB-CG2 3.78Å; G314-V318 WeakPolarHBondContact O-CG2 3.39Å; G314-V318 PolarHBondContact O-N 2.99Å; G314-V318 VanDerWaalsContact O-N 3.08Å; Q315-V318 PolarHBondContact O-N 3.31Å; V318-A320 VanDerWaalsContact C-N 3.32Å; V318-A320 PolarHBondContact O-N 2.79Å; V318-L321 PolarHBondContact O-N 2.97Å; V318-S322 WeakPolarHBondContact O-CB 3.27Å; V318-S322 PolarHBondContact O-N 3.27Å; V318-S322 PolarHBondContact O-OG 3.43Å
319K98.4Very high98.1Very high33 Ų3325 Ų2514%0.14314%0.135CC..Hα-helixtrans-57.5-46.4176.5-73.4-179-172.6168.60111.5Q315 E316 S322 Q323 R324 D325Q315-K319 WeakPolarHBondContact O-CG 3.45Å; Q315-K319 PolarHBondContact O-N 3.4Å; E316-K319 PolarHBondContact O-N 3.16Å; E316-K319 WeakPolarHBondContact OE1-CD 3.45Å; E316-K319 WeakPolarHBondContact OE1-CE 3.45Å; E316-K319 IonicContact OE1-NZ 2.72Å; E316-K319 PolarHBondContact OE1-NZ 3.46Å; K319-S322 PolarHBondContact O-OG 3.33Å; K319-Q323 WeakPolarHBondContact O-CA 3.48Å; K319-Q323 PolarHBondContact O-N 3.23Å; K319-R324 WeakPolarHBondContact CB-O 3.32Å; K319-R324 PolarHBondContact O-N 3.18Å; K319-D325 HydrophobicContact CD-CB 4.41Å
320A98.5Very high98Very high0 Ų025.1 Ų25.10%014%0.135CC..Hα-helixtrans-69-39.9-176.100000112.4K153 F155 L170 H174 E316 V317 V318 Q323K153-A320 HydrophobicContact CD-CB 3.71Å; K153-A320 WeakPolarHBondContact CE-O 3.15Å; F155-A320 HydrophobicContact CZ-CB 3.79Å; L170-A320 HydrophobicContact CD1-CB 3.85Å; L170-A320 HydrophobicContact CD2-CB 3.74Å; L170-A320 HydrophobicContact CG-CB 4.46Å; H174-A320 PolarHBondContact CE1-O 3.45Å; E316-A320 WeakPolarHBondContact O-CB 3.39Å; E316-A320 PolarHBondContact O-N 3.04Å; V317-A320 PolarHBondContact O-N 2.89Å; V318-A320 VanDerWaalsContact C-N 3.32Å; V318-A320 PolarHBondContact O-N 2.79Å; A320-Q323 PolarHBondContact O-N 2.89Å
321L98.4Very high98Very high7 Ų725.1 Ų25.14%0.03714%0.135CC..Hα-helixtrans-71.1-40.7176.4-68.6176000112.4L35 V40 V61 E128 A129 K153 V317 V318 Q323L35-L321 HydrophobicContact CD1-CB 4Å; L35-L321 HydrophobicContact CD1-CD1 4.06Å; V40-L321 HydrophobicContact CG2-CD1 3.63Å; V61-L321 HydrophobicContact CG1-CD1 4.44Å; E128-L321 HydrophobicContact CB-CD2 3.66Å; A129-L321 HydrophobicContact CB-CD1 4.5Å; A129-L321 HydrophobicContact CB-CD2 3.99Å; A129-L321 HydrophobicContact CB-CG 4.44Å; K153-L321 HydrophobicContact CD-CD2 4.15Å; V317-L321 HydrophobicContact CG1-CD1 3.76Å; V317-L321 HydrophobicContact CG1-CG 4.32Å; V317-L321 WeakPolarHBondContact O-CB 3.18Å; V317-L321 WeakPolarHBondContact O-CG 3.33Å; V317-L321 PolarHBondContact O-N 2.72Å; V318-L321 PolarHBondContact O-N 2.97Å; L321-Q323 PolarHBondContact O-N 3.32Å
322S97.7Very high98Very high3 Ų324.5 Ų24.52%0.02112%0.124CC..Hα-helixtrans-77.7-9.1177.268.40000113.4R34 V318 K319 R324R34-S322 PolarHBondContact NE-O 3.37Å; R34-S322 PolarHBondContact NH2-O 2.82Å; V318-S322 WeakPolarHBondContact O-CB 3.27Å; V318-S322 PolarHBondContact O-N 3.27Å; V318-S322 PolarHBondContact O-OG 3.43Å; K319-S322 PolarHBondContact O-OG 3.33Å; S322-R324 PolarHBondContact O-N 3.28Å
323Q97.7Very high98Very high75 Ų7523.2 Ų23.235%0.3512%0.116SC..THydrogen-bonded Turntrans50.538.7-176.1-63.7-177.8-47.100112.3N175 Y176 V177 K319 A320 L321N175-Q323 WeakPolarHBondContact O-CB 3.25Å; N175-Q323 WeakPolarHBondContact O-CG 3.13Å; N175-Q323 PolarHBondContact O-NE2 3.27Å; Y176-Q323 CarbonylContact C-O 3.6Å; Y176-Q323 VanDerWaalsContact CA-O 3.28Å; Y176-Q323 WeakPolarHBondContact CA-O 3.4Å; V177-Q323 WeakPolarHBondContact CG2-O 3.45Å; V177-Q323 PolarHBondContact N-O 3.22Å; K319-Q323 WeakPolarHBondContact O-CA 3.48Å; K319-Q323 PolarHBondContact O-N 3.23Å; A320-Q323 PolarHBondContact O-N 2.89Å; L321-Q323 PolarHBondContact O-N 3.32Å
324R95.6Very high98Very high25 Ų2524.5 Ų24.59%0.09412%0.122CC..BIsolated β-bridgetrans-127.8138.9-178.6179.4160.4172.613011.8110.5W27 A31 V177 E179 K319 S322W27-R324 WeakPolarHBondContact O-CD 3.34Å; W27-R324 VanDerWaalsContact O-CZ 3.32Å; W27-R324 PolarHBondContact O-NE 3.07Å; W27-R324 PolarHBondContact O-NH1 3.29Å; A31-R324 HydrophobicContact CB-CB 4.43Å; V177-R324 HydrophobicContact CG2-CB 4.33Å; V177-R324 HydrophobicContact CG2-CG 4.39Å; E179-R324 IonicContact OE2-CZ 2.75Å; E179-R324 IonicContact OE2-NH2 3.87Å; E179-R324 PolarHBondContact OE2-NH2 3.35Å; K319-R324 WeakPolarHBondContact CB-O 3.32Å; K319-R324 PolarHBondContact O-N 3.18Å; S322-R324 PolarHBondContact O-N 3.28Å
325D96.3Very high98Very high57 Ų5724.6 Ų24.631%0.30512%0.122SC..SBendtrans64.8161.4-175.4-53.8-41000113.5Y176 V177 K319 P327Y176-D325 VanDerWaalsContact CD2-C 3.47Å; Y176-D325 WeakPolarHBondContact CD2-O 3.27Å; V177-D325 PolarHBondContact O-N 2.74Å; K319-D325 HydrophobicContact CD-CB 4.41Å; D325-P327 WeakPolarHBondContact O-CD 3.27Å
326A97.3Very high98Very high37 Ų3722.4 Ų22.431%0.30612%0.119SC..PPolyproline II helixtrans-71.1125.4-179.700000110.4Y176Y176-A326 VanDerWaalsContact CE2-CA 3.43Å; Y176-A326 HydrophobicContact CE2-CB 3.76Å
327P97.8Very high97.9Very high15 Ų1526.8 Ų26.810%0.09714%0.141CC..PPolyproline II helixtrans-72.2150.8171.329.4-34.4000111.3L170 F216 E316 D325L170-P327 HydrophobicContact CD1-CB 3.64Å; L170-P327 HydrophobicContact CD1-CG 3.72Å; F216-P327 HydrophobicContact CE2-CG 4.05Å; F216-P327 HydrophobicContact CZ-CB 4.06Å; F216-P327 HydrophobicContact CZ-CG 3.71Å; E316-P327 VanDerWaalsContact OE2-CA 3.28Å; E316-P327 WeakPolarHBondContact OE2-CA 3.31Å; D325-P327 WeakPolarHBondContact O-CD 3.27Å
328H98.3Very high97.7Very high57 Ų5734.2 Ų34.226%0.26417%0.173SC..PPolyproline II helixtrans-62.5133.4166.1-68.4173.3000109.5S168 F216 E316 V343S168-H328 PolarHBondContact OG-O 3.26Å; S168-H328 VanDerWaalsContact OG-O 3.12Å; F216-H328 WeakPolarHBondContact CE1-O 3.49Å; E316-H328 HydrophobicContact CG-CB 4.39Å; E316-H328 IonicContact OE1-CD2 3.83Å; E316-H328 IonicContact OE1-CE1 2.72Å; E316-H328 IonicContact OE1-CG 2.7Å; E316-H328 IonicContact OE1-ND1 2.87Å; E316-H328 IonicContact OE1-NE2 3.23Å; E316-H328 IonicContact OE2-CG 3.75Å; E316-H328 PolarHBondContact OE2-N 3.27Å; H328-V343 HydrophobicContact CB-CG1 3.96Å; H328-V343 HydrophobicContact CB-CG2 4.31Å
329K96.1Very high97.6Very high72 Ų7236.8 Ų36.831%0.31320%0.201SC..  trans-127.5112.4-175.4-174.9-179.1166177.70109.6S215 F216 D344 Y345S215-K329 WeakPolarHBondContact O-CE 3.4Å; S215-K329 PolarHBondContact O-NZ 3.4Å; F216-K329 HydrophobicContact CD1-CG 4.17Å; F216-K329 HydrophobicContact CE1-CB 3.97Å; F216-K329 HydrophobicContact CE1-CG 3.86Å; F216-K329 HydrophobicContact CZ-CB 4.09Å; F216-K329 HydrophobicContact CZ-CG 4.17Å; K329-D344 CarbonylContact O-C 3.43Å; K329-Y345 HydrophobicContact CD-CD2 4.17Å; K329-Y345 HydrophobicContact CD-CE2 4.28Å; K329-Y345 VanDerWaalsContact CE-CD2 3.48Å; K329-Y345 HydrophobicContact CG-CD2 3.66Å; K329-Y345 HydrophobicContact CG-CE2 4.07Å; K329-Y345 HydrophobicContact CG-CG 4.41Å; K329-Y345 WeakPolarHBondContact O-CB 3.38Å
330N97.4Very high97.5Very high1 Ų137.2 Ų37.21%0.00521%0.208CC..SBendcis-124.1-4.5-12.260.6-13.5000112.8F167 S168 F216 C217 D344 Y345 F346F167-N330 CarbonylContact C-O 3.57Å; F167-N330 VanDerWaalsContact CA-O 3.27Å; F167-N330 WeakPolarHBondContact CA-O 3.37Å; F167-N330 HydrophobicContact CD2-CB 4.46Å; F167-N330 HydrophobicContact CE2-CB 4.22Å; F167-N330 WeakPolarHBondContact CE2-ND2 3.37Å; S168-N330 PolarHBondContact N-O 3.29Å; S168-N330 WeakPolarHBondContact O-CB 3.36Å; F216-N330 HydrophobicContact CD1-CB 4.02Å; F216-N330 HydrophobicContact CE1-CB 4.29Å; C217-N330 PolarHBondContact SG-ND2 2.62Å; N330-D344 PolarHBondContact N-O 3.05Å; N330-D344 VanDerWaalsContact N-O 3.16Å; N330-Y345 HydrophobicContact CB-CD2 4.23Å; N330-F346 PolarHBondContact ND2-O 3.02Å; N330-F346 VanDerWaalsContact ND2-O 3.12Å; N330-F346 PolarHBondContact OD1-N 3.41Å; N330-F346 PolarHBondContact OD1-O 2.68Å
331F98.8Very high97.5Very high1 Ų139.5 Ų39.50%0.00423%0.232CC..EExtended strand (participates in β ladder)trans-115.5145.2170.2-85.2-86.4000111.1Y165 M166 F167 L219 A222 L223 L246 F333 V343 D344 F346Y165-F331 HydrophobicContact CD2-CD1 4.07Å; Y165-F331 AromaticContact CD2-CE1 3.81Å; Y165-F331 HydrophobicContact CD2-CE1 3.81Å; Y165-F331 HydrophobicContact CE2-CE1 4.16Å; M166-F331 CarbonylContact O-C 3.52Å; M166-F331 VanDerWaalsContact O-CA 3.31Å; M166-F331 WeakPolarHBondContact O-CA 3.35Å; M166-F331 WeakPolarHBondContact O-CD1 3.38Å; F167-F331 HydrophobicContact CB-CD1 4.01Å; F167-F331 HydrophobicContact CB-CE1 3.66Å; F167-F331 HydrophobicContact CB-CZ 3.96Å; F167-F331 HydrophobicContact CD2-CD1 4.4Å; F167-F331 AromaticContact CD2-CD2 3.79Å; F167-F331 HydrophobicContact CD2-CD2 3.79Å; F167-F331 HydrophobicContact CD2-CE1 4.04Å; F167-F331 AromaticContact CD2-CE2 3.4Å; F167-F331 HydrophobicContact CD2-CE2 3.4Å; F167-F331 VanDerWaalsContact CD2-CE2 3.4Å; F167-F331 HydrophobicContact CD2-CG 4.3Å; F167-F331 AromaticContact CD2-CZ 3.53Å; F167-F331 HydrophobicContact CD2-CZ 3.53Å; F167-F331 HydrophobicContact CE2-CD2 4.48Å; F167-F331 AromaticContact CE2-CE2 4Å; F167-F331 HydrophobicContact CE2-CE2 4Å; F167-F331 HydrophobicContact CE2-CZ 4.39Å; F167-F331 HydrophobicContact CG-CE1 4.25Å; F167-F331 HydrophobicContact CG-CE2 4.35Å; F167-F331 HydrophobicContact CG-CZ 4.05Å; L219-F331 HydrophobicContact CD1-CZ 3.96Å; A222-F331 HydrophobicContact CB-CD2 4.48Å; A222-F331 HydrophobicContact CB-CE2 3.69Å; L223-F331 HydrophobicContact CD2-CZ 4.12Å; L246-F331 HydrophobicContact CD2-CD1 4.46Å; L246-F331 HydrophobicContact CD2-CE1 3.64Å; L246-F331 HydrophobicContact CD2-CZ 4.2Å; F331-F333 HydrophobicContact CB-CD2 4.21Å; F331-F333 HydrophobicContact CB-CE2 3.53Å; F331-F333 HydrophobicContact CB-CZ 3.92Å; F331-F333 HydrophobicContact CD1-CE1 4.14Å; F331-F333 HydrophobicContact CD1-CE2 4.1Å; F331-F333 AromaticContact CD1-CZ 3.56Å; F331-F333 HydrophobicContact CD1-CZ 3.56Å; F331-F333 HydrophobicContact CE1-CZ 4.22Å; F331-F333 AromaticContact CG-CE2 3.97Å; F331-F333 HydrophobicContact CG-CE2 3.97Å; F331-F333 AromaticContact CG-CZ 3.85Å; F331-F333 HydrophobicContact CG-CZ 3.85Å; F331-V343 VanDerWaalsContact O-CA 3.29Å; F331-V343 WeakPolarHBondContact O-CA 3.25Å; F331-D344 PolarHBondContact N-O 3.16Å; F331-D344 PolarHBondContact O-N 3.42Å; F331-F346 HydrophobicContact CB-CD2 4.07Å; F331-F346 HydrophobicContact CB-CE2 4.13Å; F331-F346 HydrophobicContact CD2-CB 4.31Å; F331-F346 AromaticContact CD2-CD2 3.59Å; F331-F346 HydrophobicContact CD2-CD2 3.59Å; F331-F346 HydrophobicContact CD2-CE2 4.36Å; F331-F346 HydrophobicContact CD2-CG 4.31Å; F331-F346 HydrophobicContact CE2-CB 4.49Å; F331-F346 HydrophobicContact CE2-CD2 4.39Å; F331-F346 HydrophobicContact CG-CD2 4.14Å; F331-F346 HydrophobicContact CG-CE2 4.5Å
332F98.9Very high97.5Very high15 Ų1542.1 Ų42.17%0.06625%0.248CC..EExtended strand (participates in β ladder)trans-121.4132.5160.8160.9-90000108.3Y165 M166 V312 F334 V342 V343Y165-F332 CarbonylContact C-O 3.55Å; Y165-F332 WeakPolarHBondContact CA-O 3.32Å; M166-F332 HydrophobicContact CG-CB 3.6Å; M166-F332 HydrophobicContact CG-CD1 3.96Å; M166-F332 HydrophobicContact CG-CG 4.21Å; M166-F332 PolarHBondContact N-O 2.96Å; M166-F332 PolarHBondContact O-N 3.17Å; M166-F332 HydrophobicContact SD-CB 4.27Å; V312-F332 HydrophobicContact CB-CD1 4.37Å; V312-F332 HydrophobicContact CB-CE1 4.11Å; V312-F332 HydrophobicContact CB-CZ 4.41Å; V312-F332 HydrophobicContact CG1-CD1 3.82Å; V312-F332 HydrophobicContact CG1-CD2 4.21Å; V312-F332 HydrophobicContact CG1-CE1 3.98Å; V312-F332 HydrophobicContact CG1-CE2 4.35Å; V312-F332 HydrophobicContact CG1-CG 3.93Å; V312-F332 HydrophobicContact CG1-CZ 4.24Å; V312-F332 HydrophobicContact CG2-CE1 4.12Å; V312-F332 HydrophobicContact CG2-CE2 4.46Å; V312-F332 HydrophobicContact CG2-CZ 3.95Å; F332-F334 HydrophobicContact CE1-CB 3.8Å; F332-F334 HydrophobicContact CZ-CB 3.92Å; F332-F334 HydrophobicContact CZ-CD2 4.45Å; F332-V342 CarbonylContact C-O 3.52Å; F332-V342 VanDerWaalsContact CA-O 3.31Å; F332-V342 WeakPolarHBondContact CA-O 3.31Å; F332-V343 HydrophobicContact CB-CG2 4.32Å; F332-V343 HydrophobicContact CD2-CG2 4.03Å
333F98.8Very high97.5Very high5 Ų544.9 Ų44.92%0.02227%0.265CS..EExtended strand (participates in β ladder)trans-118.7136.4176.1-65.3-75.7000109.7P240 D242 Y243 L246 F331 G341 V342 F346P240-F333 HydrophobicContact CB-CD2 4.06Å; P240-F333 HydrophobicContact CG-CD2 4.19Å; D242-F333 HydrophobicContact CB-CB 3.67Å; D242-F333 HydrophobicContact CB-CD1 3.49Å; D242-F333 VanDerWaalsContact CB-CD1 3.49Å; D242-F333 HydrophobicContact CB-CE1 4.27Å; D242-F333 HydrophobicContact CB-CG 3.65Å; Y243-F333 HydrophobicContact CD2-CE2 4.41Å; Y243-F333 HydrophobicContact CD2-CZ 4Å; L246-F333 HydrophobicContact CB-CE1 4.34Å; L246-F333 HydrophobicContact CD2-CE1 4.13Å; L246-F333 HydrophobicContact CD2-CZ 4.44Å; F331-F333 HydrophobicContact CB-CD2 4.21Å; F331-F333 HydrophobicContact CB-CE2 3.53Å; F331-F333 HydrophobicContact CB-CZ 3.92Å; F331-F333 HydrophobicContact CD1-CE1 4.14Å; F331-F333 HydrophobicContact CD1-CE2 4.1Å; F331-F333 AromaticContact CD1-CZ 3.56Å; F331-F333 HydrophobicContact CD1-CZ 3.56Å; F331-F333 HydrophobicContact CE1-CZ 4.22Å; F331-F333 AromaticContact CG-CE2 3.97Å; F331-F333 HydrophobicContact CG-CE2 3.97Å; F331-F333 AromaticContact CG-CZ 3.85Å; F331-F333 HydrophobicContact CG-CZ 3.85Å; F333-G341 CarbonylContact O-C 3.53Å; F333-G341 WeakPolarHBondContact O-CA 3.49Å; F333-V342 PolarHBondContact N-O 3.4Å; F333-V342 PolarHBondContact O-N 3.1Å; F333-F346 AromaticContact CE2-CE2 3.75Å; F333-F346 HydrophobicContact CE2-CE2 3.75Å; F333-F346 HydrophobicContact CE2-CZ 4.22Å; F333-F346 HydrophobicContact CZ-CE2 4.49Å
334F98.8Very high97.5Very high27 Ų2743.8 Ų43.812%0.11826%0.261CS..EExtended strand (participates in β ladder)trans-120.7128.8176.6178.8-104000110.5H163 G164 V305 V308 V309 F332 G336 S340H163-F334 CarbonylContact C-O 3.43Å; H163-F334 VanDerWaalsContact CA-O 3.25Å; H163-F334 WeakPolarHBondContact CA-O 3.38Å; G164-F334 PolarHBondContact N-O 3.17Å; G164-F334 PolarHBondContact O-N 3.22Å; V305-F334 HydrophobicContact CG1-CD1 3.86Å; V305-F334 HydrophobicContact CG1-CE1 4.12Å; V305-F334 HydrophobicContact CG2-CE1 4.24Å; V308-F334 HydrophobicContact CB-CE1 4.35Å; V308-F334 HydrophobicContact CB-CZ 4.33Å; V308-F334 HydrophobicContact CG1-CD1 4.22Å; V308-F334 HydrophobicContact CG1-CD2 3.71Å; V308-F334 HydrophobicContact CG1-CE1 4.22Å; V308-F334 HydrophobicContact CG1-CE2 3.74Å; V308-F334 HydrophobicContact CG1-CG 3.94Å; V308-F334 HydrophobicContact CG1-CZ 3.98Å; V308-F334 HydrophobicContact CG2-CZ 4.17Å; V309-F334 HydrophobicContact CG2-CB 4.11Å; V309-F334 HydrophobicContact CG2-CD1 4.43Å; F332-F334 HydrophobicContact CE1-CB 3.8Å; F332-F334 HydrophobicContact CZ-CB 3.92Å; F332-F334 HydrophobicContact CZ-CD2 4.45Å; F334-G336 VanDerWaalsContact CE1-CA 3.49Å; F334-S340 WeakPolarHBondContact CA-O 3.41Å; F334-S340 WeakPolarHBondContact CD2-O 3.05Å
335D98.4Very high97.5Very high4 Ų445.3 Ų45.32%0.02127%0.268CS..EExtended strand (participates in β ladder)trans-117.4106.4171.1175-15.2000108.1H163 M337 K338 G339 S340H163-D335 IonicContact NE2-OD1 2.67Å; H163-D335 IonicContact NE2-OD2 2.62Å; D335-M337 VanDerWaalsContact C-N 3.3Å; D335-M337 PolarHBondContact O-N 3.27Å; D335-M337 WeakPolarHBondContact OD1-CA 3.01Å; D335-M337 VanDerWaalsContact OD1-CB 3.27Å; D335-M337 WeakPolarHBondContact OD1-CB 3.45Å; D335-M337 PolarHBondContact OD1-N 3.42Å; D335-K338 PolarHBondContact O-N 3.16Å; D335-K338 PolarHBondContact OD1-N 2.94Å; D335-K338 VanDerWaalsContact OD2-CD 3.27Å; D335-K338 WeakPolarHBondContact OD2-CD 3.29Å; D335-K338 WeakPolarHBondContact OD2-CE 3.34Å; D335-K338 VanDerWaalsContact OD2-CG 3.31Å; D335-K338 WeakPolarHBondContact OD2-CG 3.1Å; D335-K338 IonicContact OD2-NZ 2.9Å; D335-K338 PolarHBondContact OD2-NZ 3.1Å; D335-G339 WeakPolarHBondContact O-CA 3.12Å; D335-G339 PolarHBondContact O-N 3.34Å; D335-S340 PolarHBondContact N-O 2.79Å; D335-S340 PolarHBondContact O-N 3.06Å
336G97.8Very high97.5Very high29 Ų2943 Ų4330%0.29926%0.255SS..THydrogen-bonded Turntrans-73-17.6179.700000114.3Y162 F334Y162-G336 WeakPolarHBondContact O-CA 3.05Å; Y162-G336 PolarHBondContact O-N 3.43Å; F334-G336 VanDerWaalsContact CE1-CA 3.49Å
337M96.9Very high97.1Very high95 Ų9542.4 Ų42.447%0.46825%0.252SS..THydrogen-bonded Turntrans-74.3-35.8174-64.2-60.4-63.100110.9Y162 Y297 D335Y162-M337 HydrophobicContact CD1-CG 4.27Å; Y162-M337 HydrophobicContact CD1-SD 3.61Å; Y162-M337 HydrophobicContact CD2-CG 4.36Å; Y162-M337 HydrophobicContact CD2-SD 3.78Å; Y162-M337 HydrophobicContact CE1-SD 3.84Å; Y162-M337 HydrophobicContact CE2-SD 4Å; Y162-M337 HydrophobicContact CG-CG 3.9Å; Y162-M337 HydrophobicContact CG-SD 3.57Å; Y162-M337 VanDerWaalsContact CG-SD 3.57Å; Y297-M337 HydrophobicContact CD1-CE 3.94Å; Y297-M337 HydrophobicContact CD1-CG 3.91Å; Y297-M337 HydrophobicContact CD1-SD 3.85Å; Y297-M337 HydrophobicContact CE1-CE 3.63Å; Y297-M337 HydrophobicContact CE1-CG 4.42Å; Y297-M337 HydrophobicContact CE1-SD 4.18Å; Y297-M337 HydrophobicContact CG-CG 4.2Å; D335-M337 VanDerWaalsContact C-N 3.3Å; D335-M337 PolarHBondContact O-N 3.27Å; D335-M337 WeakPolarHBondContact OD1-CA 3.01Å; D335-M337 VanDerWaalsContact OD1-CB 3.27Å; D335-M337 WeakPolarHBondContact OD1-CB 3.45Å; D335-M337 PolarHBondContact OD1-N 3.42Å
338K96.3Very high96.4Very high155 Ų15545.7 Ų45.767%0.67427%0.273SS*.THydrogen-bonded Turntrans-95-14.7177-61.1-176.9-165.31120113.5D335 S340D335-K338 PolarHBondContact O-N 3.16Å; D335-K338 PolarHBondContact OD1-N 2.94Å; D335-K338 VanDerWaalsContact OD2-CD 3.27Å; D335-K338 WeakPolarHBondContact OD2-CD 3.29Å; D335-K338 WeakPolarHBondContact OD2-CE 3.34Å; D335-K338 VanDerWaalsContact OD2-CG 3.31Å; D335-K338 WeakPolarHBondContact OD2-CG 3.1Å; D335-K338 IonicContact OD2-NZ 2.9Å; D335-K338 PolarHBondContact OD2-NZ 3.1Å; K338-S340 VanDerWaalsContact C-N 3.28Å
339G95.6Very high94.8Very high60 Ų6053 Ų5362%0.61930%0.304SS*.THydrogen-bonded Turntrans66.729.7-172.700000112.8D335D335-G339 WeakPolarHBondContact O-CA 3.12Å; D335-G339 PolarHBondContact O-N 3.34Å
340S96.8Very high94.8Very high41 Ų4152 Ų5229%0.28730%0.304SS..EExtended strand (participates in β ladder)trans-105.8132.9-175.957.40000111.8F334 D335 K338F334-S340 WeakPolarHBondContact CA-O 3.41Å; F334-S340 WeakPolarHBondContact CD2-O 3.05Å; D335-S340 PolarHBondContact N-O 2.79Å; D335-S340 PolarHBondContact O-N 3.06Å; K338-S340 VanDerWaalsContact C-N 3.28Å
341G98Very high94.6Very high49 Ų4954.7 Ų54.751%0.50532%0.319SS..EExtended strand (participates in β ladder)trans-115.5118166.400000109.9F333F333-G341 CarbonylContact O-C 3.53Å; F333-G341 WeakPolarHBondContact O-CA 3.49Å
342V98.2Very high94.4Very high61 Ų6157.7 Ų57.737%0.3734%0.337SS..EExtended strand (participates in β ladder)trans-119.1129.5-175.1-174.60000110P240 F332 F333P240-V342 HydrophobicContact CG-CB 4.17Å; P240-V342 HydrophobicContact CG-CG1 3.69Å; F332-V342 CarbonylContact C-O 3.52Å; F332-V342 VanDerWaalsContact CA-O 3.31Å; F332-V342 WeakPolarHBondContact CA-O 3.31Å; F333-V342 PolarHBondContact N-O 3.4Å; F333-V342 PolarHBondContact O-N 3.1Å
343V98.4Very high94.2Very high62 Ų6260.2 Ų60.238%0.37635%0.353SS..EExtended strand (participates in β ladder)trans-101128.1170.8-179.20000108.4H328 F331 F332H328-V343 HydrophobicContact CB-CG1 3.96Å; H328-V343 HydrophobicContact CB-CG2 4.31Å; F331-V343 VanDerWaalsContact O-CA 3.29Å; F331-V343 WeakPolarHBondContact O-CA 3.25Å; F332-V343 HydrophobicContact CB-CG2 4.32Å; F332-V343 HydrophobicContact CD2-CG2 4.03Å
344D97.3Very high93.9Very high51 Ų5163.6 Ų63.627%0.27337%0.374SS..EExtended strand (participates in β ladder)trans-142157174.9-156.9-2000110.7P240 K329 N330 F331 F346P240-D344 VanDerWaalsContact CD-OD2 3.32Å; P240-D344 WeakPolarHBondContact CD-OD2 3.31Å; P240-D344 HydrophobicContact CG-CB 4.28Å; K329-D344 CarbonylContact O-C 3.43Å; N330-D344 PolarHBondContact N-O 3.05Å; N330-D344 VanDerWaalsContact N-O 3.16Å; F331-D344 PolarHBondContact N-O 3.16Å; F331-D344 PolarHBondContact O-N 3.42Å; D344-F346 HydrophobicContact CB-CE2 3.76Å; D344-F346 HydrophobicContact CB-CZ 4.17Å
345Y95.9Very high93.5Very high58 Ų5866.1 Ų66.123%0.22739%0.391CS..  trans-109.5118.8-176.7175.6-115.7000111K329 N330 P348K329-Y345 HydrophobicContact CD-CD2 4.17Å; K329-Y345 HydrophobicContact CD-CE2 4.28Å; K329-Y345 VanDerWaalsContact CE-CD2 3.48Å; K329-Y345 HydrophobicContact CG-CD2 3.66Å; K329-Y345 HydrophobicContact CG-CE2 4.07Å; K329-Y345 HydrophobicContact CG-CG 4.41Å; K329-Y345 WeakPolarHBondContact O-CB 3.38Å; N330-Y345 HydrophobicContact CB-CD2 4.23Å; Y345-P348 VanDerWaalsContact CE1-O 3.23Å; Y345-P348 WeakPolarHBondContact CE1-O 3.28Å; Y345-P348 PolarHBondContact OH-O 3.24Å
346F95.3Very high93.2Very high8 Ų870.5 Ų70.54%0.03542%0.417CS..  trans-112.5107.3175.1-58.9-92.9000108.1C217 A222 V225 W227 T239 Y243 N330 F331 F333 D344C217-F346 PolarHBondContact SG-O 2.67Å; A222-F346 VanDerWaalsContact CA-O 3.31Å; A222-F346 WeakPolarHBondContact CA-O 3.34Å; A222-F346 HydrophobicContact CB-CB 4.14Å; A222-F346 WeakPolarHBondContact CB-O 3.21Å; A222-F346 WeakPolarHBondContact O-CB 3.42Å; V225-F346 HydrophobicContact CG2-CB 4.15Å; V225-F346 HydrophobicContact CG2-CD1 4.2Å; W227-F346 HydrophobicContact CH2-CE1 4.39Å; W227-F346 HydrophobicContact CZ2-CE1 4.42Å; T239-F346 HydrophobicContact CG2-CE1 3.66Å; T239-F346 HydrophobicContact CG2-CZ 3.84Å; Y243-F346 HydrophobicContact CD1-CE1 4.08Å; Y243-F346 AromaticContact CD2-CD1 3.59Å; Y243-F346 HydrophobicContact CD2-CD1 3.59Å; Y243-F346 AromaticContact CD2-CD2 3.98Å; Y243-F346 HydrophobicContact CD2-CD2 3.98Å; Y243-F346 AromaticContact CD2-CE1 3.34Å; Y243-F346 HydrophobicContact CD2-CE1 3.34Å; Y243-F346 AromaticContact CD2-CE2 3.77Å; Y243-F346 HydrophobicContact CD2-CE2 3.77Å; Y243-F346 AromaticContact CD2-CG 3.89Å; Y243-F346 HydrophobicContact CD2-CG 3.89Å; Y243-F346 AromaticContact CD2-CZ 3.44Å; Y243-F346 HydrophobicContact CD2-CZ 3.44Å; Y243-F346 VanDerWaalsContact CD2-CZ 3.44Å; Y243-F346 HydrophobicContact CE1-CD1 4.41Å; Y243-F346 HydrophobicContact CE1-CE1 4.35Å; Y243-F346 HydrophobicContact CE2-CB 4.18Å; Y243-F346 AromaticContact CE2-CD1 3.37Å; Y243-F346 HydrophobicContact CE2-CD1 3.37Å; Y243-F346 HydrophobicContact CE2-CD2 4.09Å; Y243-F346 AromaticContact CE2-CE1 3.65Å; Y243-F346 HydrophobicContact CE2-CE1 3.65Å; Y243-F346 HydrophobicContact CE2-CE2 4.34Å; Y243-F346 AromaticContact CE2-CG 3.6Å; Y243-F346 HydrophobicContact CE2-CG 3.6Å; Y243-F346 HydrophobicContact CE2-CZ 4.13Å; Y243-F346 HydrophobicContact CG-CD1 4.2Å; Y243-F346 AromaticContact CG-CE1 3.58Å; Y243-F346 HydrophobicContact CG-CE1 3.58Å; Y243-F346 HydrophobicContact CG-CE2 4.48Å; Y243-F346 AromaticContact CG-CZ 3.74Å; Y243-F346 HydrophobicContact CG-CZ 3.74Å; Y243-F346 AromaticContact CZ-CD1 3.82Å; N330-F346 PolarHBondContact ND2-O 3.02Å; N330-F346 VanDerWaalsContact ND2-O 3.12Å; N330-F346 PolarHBondContact OD1-N 3.41Å; N330-F346 PolarHBondContact OD1-O 2.68Å; F331-F346 HydrophobicContact CB-CD2 4.07Å; F331-F346 HydrophobicContact CB-CE2 4.13Å; F331-F346 HydrophobicContact CD2-CB 4.31Å; F331-F346 AromaticContact CD2-CD2 3.59Å; F331-F346 HydrophobicContact CD2-CD2 3.59Å; F331-F346 HydrophobicContact CD2-CE2 4.36Å; F331-F346 HydrophobicContact CD2-CG 4.31Å; F331-F346 HydrophobicContact CE2-CB 4.49Å; F331-F346 HydrophobicContact CE2-CD2 4.39Å; F331-F346 HydrophobicContact CG-CD2 4.14Å; F331-F346 HydrophobicContact CG-CE2 4.5Å; F333-F346 AromaticContact CE2-CE2 3.75Å; F333-F346 HydrophobicContact CE2-CE2 3.75Å; F333-F346 HydrophobicContact CE2-CZ 4.22Å; F333-F346 HydrophobicContact CZ-CE2 4.49Å; D344-F346 HydrophobicContact CB-CE2 3.76Å; D344-F346 HydrophobicContact CB-CZ 4.17Å
347G89.7Confident92.8Very high24 Ų2473.7 Ų73.725%0.24743%0.426CS..SBendtrans167.4179.7-177.100000112.2C217 K349C217-G347 VanDerWaalsContact SG-CA 3.52Å; G347-K349 PolarHBondContact O-N 3.14Å
348P83Confident92.5Very high84 Ų8471.9 Ų71.955%0.54542%0.423SS..  trans-64.5134.3174.6-15.531.5000109V221 Y345V221-P348 HydrophobicContact CG1-CG 4Å; Y345-P348 VanDerWaalsContact CE1-O 3.23Å; Y345-P348 WeakPolarHBondContact CE1-O 3.28Å; Y345-P348 PolarHBondContact OH-O 3.24Å
349K65.6Low92.2Very high210 Ų21064.4 Ų64.491%0.91340%0.4SS*.  trans-82.90175.8-63.4-156.7-170.7177.40111.8K231 G347K231-K349 VanDerWaalsContact CE-CD 3.43Å; G347-K349 PolarHBondContact O-N 3.14Å

Retrieved 349 of 349 residues in 221.9 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).