A0A3Q0KKI3_SCHMA Loading...

Putative centaurin alpha

AlphaFold DB , UniProt , Accession A0A3Q0KKI3, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 401 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M46Very low74.9Confident224 Ų22478.7 Ų78.7100%1.10342%0.419SS*.  0-21.70-75.9173.7170.800113.6N3M1-N3 PolarHBondContact O-N 2.96Å
2S56.3Low76.1Confident104 Ų10481.4 Ų81.473%0.72742%0.419SS*.Hα-helixtrans-75.6-22.9-170.9740000117.4C4S2-C4 VanDerWaalsContact C-N 3.33Å; S2-C4 PolarHBondContact O-N 3.36Å
3N58.9Low77.3Confident109 Ų10982.3 Ų82.358%0.58342%0.42SS*.Hα-helixtrans-75.5-23.3-176.6-156.126.6000113M1 D5 Y7M1-N3 PolarHBondContact O-N 2.96Å; N3-D5 VanDerWaalsContact C-N 3.33Å; N3-Y7 WeakPolarHBondContact O-CD1 3.24Å
4C64Low78.4Confident66 Ų6678.4 Ų78.445%0.44640%0.399SS..Hα-helixtrans-69.5-35-179.4-136.70000111.8S2 Y7 I8S2-C4 VanDerWaalsContact C-N 3.33Å; S2-C4 PolarHBondContact O-N 3.36Å; C4-Y7 HydrophobicContact CB-CE1 4.43Å; C4-Y7 WeakPolarHBondContact O-CD1 3.45Å; C4-Y7 VanDerWaalsContact O-CE1 3.26Å; C4-Y7 WeakPolarHBondContact O-CE1 3.25Å; C4-I8 VanDerWaalsContact O-CG1 3.31Å; C4-I8 WeakPolarHBondContact O-CG1 3.43Å
5D76.3Confident79.3Confident117 Ų11775.3 Ų75.363%0.62638%0.383SS*.Hα-helixtrans-76.9-31.8-174.9-62.3-26.1000112.2N3 K9N3-D5 VanDerWaalsContact C-N 3.33Å; D5-K9 WeakPolarHBondContact O-CB 3.09Å; D5-K9 PolarHBondContact O-N 3.22Å
6E85.7Confident80Confident87 Ų8776.4 Ų76.441%0.40739%0.39SS..Hα-helixtrans-73.5-44.1-173.7-17456.4-152.900112.6I8 K9 N10E6-I8 VanDerWaalsContact C-N 3.32Å; E6-I8 PolarHBondContact O-N 3.01Å; E6-K9 WeakPolarHBondContact O-CB 3.34Å; E6-K9 PolarHBondContact O-N 3.4Å; E6-N10 PolarHBondContact O-N 2.75Å; E6-N10 PolarHBondContact O-ND2 3.2Å; E6-N10 PolarHBondContact OE1-ND2 3.09Å
7Y85.1Confident80.9Confident18 Ų1874.3 Ų74.37%0.07138%0.384CS..Hα-helixtrans-69.1-33.5178.182.1-96.3000111.6N3 C4 N10 L11 W70 D72 V75N3-Y7 WeakPolarHBondContact O-CD1 3.24Å; C4-Y7 HydrophobicContact CB-CE1 4.43Å; C4-Y7 WeakPolarHBondContact O-CD1 3.45Å; C4-Y7 VanDerWaalsContact O-CE1 3.26Å; C4-Y7 WeakPolarHBondContact O-CE1 3.25Å; Y7-N10 PolarHBondContact O-N 2.64Å; Y7-L11 WeakPolarHBondContact O-CB 3.26Å; Y7-L11 PolarHBondContact O-N 2.79Å; Y7-W70 HydrophobicContact CE2-CB 4.1Å; Y7-D72 WeakPolarHBondContact CB-OD1 3.41Å; Y7-D72 HydrophobicContact CG-CB 4.39Å; Y7-V75 HydrophobicContact CD2-CG2 3.93Å
8I85.7Confident81.7Confident16 Ų1676.1 Ų76.18%0.08240%0.401CS..Hα-helixtrans-65.5-41.8174.4-66.7-66.6000110.5C4 E6 L11 R12 N66C4-I8 VanDerWaalsContact O-CG1 3.31Å; C4-I8 WeakPolarHBondContact O-CG1 3.43Å; E6-I8 VanDerWaalsContact C-N 3.32Å; E6-I8 PolarHBondContact O-N 3.01Å; I8-L11 WeakPolarHBondContact O-CB 3.22Å; I8-L11 PolarHBondContact O-N 3.31Å; I8-R12 WeakPolarHBondContact O-CG 3.43Å; I8-R12 PolarHBondContact O-N 3.43Å; I8-N66 HydrophobicContact CD1-CB 4.16Å
9K87.1Confident82.5Confident108 Ų10874.9 Ų74.947%0.4740%0.399SS..Hα-helixtrans-60.2-48.2172.5-177.7-172.9171-166.20111.5D5 E6 L11 R12 E13D5-K9 WeakPolarHBondContact O-CB 3.09Å; D5-K9 PolarHBondContact O-N 3.22Å; E6-K9 WeakPolarHBondContact O-CB 3.34Å; E6-K9 PolarHBondContact O-N 3.4Å; K9-L11 VanDerWaalsContact C-N 3.29Å; K9-L11 PolarHBondContact O-N 3.19Å; K9-R12 PolarHBondContact O-N 2.83Å; K9-E13 WeakPolarHBondContact O-CG 3.5Å; K9-E13 PolarHBondContact O-N 2.9Å
10N89.6Confident83.2Confident17 Ų1771.3 Ų71.39%0.09138%0.38CS..Hα-helixtrans-60.4-38.8176.3-79.2-74.8000111.9E6 Y7 E13 Q14 V75 K79E6-N10 PolarHBondContact O-N 2.75Å; E6-N10 PolarHBondContact O-ND2 3.2Å; E6-N10 PolarHBondContact OE1-ND2 3.09Å; Y7-N10 PolarHBondContact O-N 2.64Å; N10-E13 PolarHBondContact O-N 3.12Å; N10-Q14 WeakPolarHBondContact O-CG 3.46Å; N10-Q14 PolarHBondContact O-N 3.41Å; N10-V75 HydrophobicContact CB-CG1 3.64Å; N10-K79 PolarHBondContact OD1-NZ 2.9Å
11L89.2Confident83.9Confident0 Ų072.2 Ų72.20%038%0.381CS..Hα-helixtrans-62.4-46.8175.2176.960.5000111.1Y7 I8 K9 E13 Q14 I15 N66 W70 V75Y7-L11 WeakPolarHBondContact O-CB 3.26Å; Y7-L11 PolarHBondContact O-N 2.79Å; I8-L11 WeakPolarHBondContact O-CB 3.22Å; I8-L11 PolarHBondContact O-N 3.31Å; K9-L11 VanDerWaalsContact C-N 3.29Å; K9-L11 PolarHBondContact O-N 3.19Å; L11-E13 VanDerWaalsContact C-N 3.33Å; L11-E13 PolarHBondContact O-N 3.01Å; L11-Q14 PolarHBondContact O-N 3.17Å; L11-Q14 VanDerWaalsContact O-N 3.13Å; L11-I15 HydrophobicContact CD1-CD1 3.91Å; L11-I15 HydrophobicContact CD1-CG1 4.24Å; L11-I15 HydrophobicContact CD2-CD1 4.42Å; L11-I15 HydrophobicContact CG-CD1 3.72Å; L11-I15 HydrophobicContact CG-CG1 4.48Å; L11-I15 WeakPolarHBondContact O-CG1 3.28Å; L11-I15 PolarHBondContact O-N 2.85Å; L11-N66 HydrophobicContact CD2-CB 4.17Å; L11-W70 HydrophobicContact CD1-CD2 3.87Å; L11-W70 HydrophobicContact CD1-CE3 3.79Å; L11-W70 HydrophobicContact CD1-CH2 4Å; L11-W70 HydrophobicContact CD1-CZ2 4.07Å; L11-W70 HydrophobicContact CD1-CZ3 3.85Å; L11-W70 HydrophobicContact CD2-CB 4.03Å; L11-W70 HydrophobicContact CD2-CD2 3.62Å; L11-W70 HydrophobicContact CD2-CE3 4.24Å; L11-W70 HydrophobicContact CD2-CG 3.47Å; L11-W70 VanDerWaalsContact CD2-CG 3.47Å; L11-W70 HydrophobicContact CG-CD2 4.41Å; L11-V75 HydrophobicContact CB-CG1 4.15Å; L11-V75 HydrophobicContact CB-CG2 3.83Å; L11-V75 HydrophobicContact CD1-CG2 4.31Å; L11-V75 HydrophobicContact CG-CG2 4.45Å
12R89.3Confident86.3Confident111 Ų11165.2 Ų65.242%0.41935%0.347SS..Hα-helixtrans-58.8-44.8175.7-72.8178.7-178.5160.5-3.4111.2I8 K9 Q14 I15 D16 D63I8-R12 WeakPolarHBondContact O-CG 3.43Å; I8-R12 PolarHBondContact O-N 3.43Å; K9-R12 PolarHBondContact O-N 2.83Å; R12-Q14 VanDerWaalsContact C-N 3.29Å; R12-Q14 PolarHBondContact O-N 3.5Å; R12-I15 PolarHBondContact O-N 3.1Å; R12-I15 VanDerWaalsContact O-N 3.16Å; R12-D16 VanDerWaalsContact O-CB 3.31Å; R12-D16 WeakPolarHBondContact O-CB 3.23Å; R12-D16 PolarHBondContact O-N 2.98Å; R12-D63 IonicContact CZ-OD1 2.73Å; R12-D63 IonicContact CZ-OD2 3.82Å; R12-D63 IonicContact NE-OD1 3.1Å; R12-D63 PolarHBondContact NE-OD1 3.09Å; R12-D63 VanDerWaalsContact NE-OD1 3.12Å; R12-D63 IonicContact NH2-OD1 3.61Å; R12-D63 PolarHBondContact NH2-OD1 2.9Å; R12-D63 IonicContact NH2-OD2 3.72Å; R12-D63 PolarHBondContact NH2-OD2 3.29Å
13E91.9Very high88.3Confident93 Ų9360.2 Ų60.244%0.43531%0.312SS..Hα-helixtrans-57.2-40.9174.4-71.3175-173.200112.5K9 N10 L11 S17K9-E13 WeakPolarHBondContact O-CG 3.5Å; K9-E13 PolarHBondContact O-N 2.9Å; N10-E13 PolarHBondContact O-N 3.12Å; L11-E13 VanDerWaalsContact C-N 3.33Å; L11-E13 PolarHBondContact O-N 3.01Å; E13-S17 PolarHBondContact O-N 2.81Å; E13-S17 VanDerWaalsContact O-N 3.16Å
14Q92.9Very high90.2Very high28 Ų2855.1 Ų55.113%0.13129%0.285CS..Hα-helixtrans-67.1-43.8175.4-64.3-53.2-63.400112.2N10 L11 R12 D16 S17 N20 F41N10-Q14 WeakPolarHBondContact O-CG 3.46Å; N10-Q14 PolarHBondContact O-N 3.41Å; L11-Q14 PolarHBondContact O-N 3.17Å; L11-Q14 VanDerWaalsContact O-N 3.13Å; R12-Q14 VanDerWaalsContact C-N 3.29Å; R12-Q14 PolarHBondContact O-N 3.5Å; Q14-D16 VanDerWaalsContact C-N 3.32Å; Q14-S17 WeakPolarHBondContact O-CB 3.3Å; Q14-N20 WeakPolarHBondContact O-CB 3.14Å; Q14-N20 PolarHBondContact O-ND2 2.78Å; Q14-F41 HydrophobicContact CB-CZ 3.79Å
15I91.1Very high91.8Very high31 Ų3152 Ų5216%0.15926%0.264CS..Hα-helixtrans-64.9-39.3178.4-66.1160.3000110.8L11 R12 S17 F41 I60L11-I15 HydrophobicContact CD1-CD1 3.91Å; L11-I15 HydrophobicContact CD1-CG1 4.24Å; L11-I15 HydrophobicContact CD2-CD1 4.42Å; L11-I15 HydrophobicContact CG-CD1 3.72Å; L11-I15 HydrophobicContact CG-CG1 4.48Å; L11-I15 WeakPolarHBondContact O-CG1 3.28Å; L11-I15 PolarHBondContact O-N 2.85Å; R12-I15 PolarHBondContact O-N 3.1Å; R12-I15 VanDerWaalsContact O-N 3.16Å; I15-S17 VanDerWaalsContact C-N 3.33Å; I15-S17 PolarHBondContact O-N 3.15Å; I15-F41 HydrophobicContact CG1-CE1 3.99Å; I15-I60 HydrophobicContact CD1-CG2 3.46Å; I15-I60 VanDerWaalsContact CD1-CG2 3.46Å; I15-I60 HydrophobicContact CG1-CG2 3.83Å; I15-I60 HydrophobicContact CG2-CG2 4.15Å
16D91.5Very high92.8Very high93 Ų9346.7 Ų46.750%0.49724%0.236SC..Hα-helixtrans-80.6-13.5-174.7-83.8-45.3000114.6R12 Q14 K21R12-D16 VanDerWaalsContact O-CB 3.31Å; R12-D16 WeakPolarHBondContact O-CB 3.23Å; R12-D16 PolarHBondContact O-N 2.98Å; Q14-D16 VanDerWaalsContact C-N 3.32Å; D16-K21 VanDerWaalsContact CA-CE 3.49Å; D16-K21 VanDerWaalsContact O-CE 3.29Å; D16-K21 WeakPolarHBondContact O-CE 3.28Å; D16-K21 WeakPolarHBondContact OD1-CE 3.32Å; D16-K21 IonicContact OD1-NZ 2.77Å; D16-K21 PolarHBondContact OD1-NZ 3.15Å
17S94.7Very high93.3Very high41 Ų4146.6 Ų46.629%0.28724%0.235SC..SBendtrans-51.4125170.7174.30000110.7E13 Q14 I15 C19 N20 K21E13-S17 PolarHBondContact O-N 2.81Å; E13-S17 VanDerWaalsContact O-N 3.16Å; Q14-S17 WeakPolarHBondContact O-CB 3.3Å; I15-S17 VanDerWaalsContact C-N 3.33Å; I15-S17 PolarHBondContact O-N 3.15Å; S17-C19 PolarHBondContact O-N 2.99Å; S17-N20 WeakPolarHBondContact O-CA 3.18Å; S17-N20 PolarHBondContact O-N 2.7Å; S17-K21 PolarHBondContact O-N 3.11Å
18P95.9Very high93.9Very high106 Ų10649 Ų4969%0.68825%0.247SC*.THydrogen-bonded Turntrans-54-34.4-175.7-29.534.9000114.2N20P18-N20 VanDerWaalsContact C-N 3.35Å
19C96.4Very high94.4Very high54 Ų5453.3 Ų53.337%0.36527%0.274SS..THydrogen-bonded Turntrans-73.3-27.1178.6-630000112.8S17 N84 K85S17-C19 PolarHBondContact O-N 2.99Å; C19-N84 WeakPolarHBondContact O-CB 3.39Å; C19-N84 PolarHBondContact O-ND2 3.08Å; C19-K85 HydrophobicContact CB-CB 3.88Å
20N97.1Very high94.8Very high2 Ų251.2 Ų51.21%0.01127%0.27CS..THydrogen-bonded Turntrans-86.6-9.1-179.6-67.3-14000112.8Q14 S17 P18 I22 T31 F41 N84Q14-N20 WeakPolarHBondContact O-CB 3.14Å; Q14-N20 PolarHBondContact O-ND2 2.78Å; S17-N20 WeakPolarHBondContact O-CA 3.18Å; S17-N20 PolarHBondContact O-N 2.7Å; P18-N20 VanDerWaalsContact C-N 3.35Å; N20-I22 VanDerWaalsContact C-N 3.32Å; N20-T31 WeakPolarHBondContact O-CB 3.4Å; N20-T31 WeakPolarHBondContact O-CG2 3.36Å; N20-T31 PolarHBondContact O-OG1 3.31Å; N20-F41 HydrophobicContact CB-CB 4.2Å; N20-F41 HydrophobicContact CB-CD1 4.11Å; N20-F41 HydrophobicContact CB-CD2 3.6Å; N20-F41 HydrophobicContact CB-CE1 4.46Å; N20-F41 HydrophobicContact CB-CE2 3.98Å; N20-F41 HydrophobicContact CB-CG 3.71Å; N20-F41 HydrophobicContact CB-CZ 4.41Å; N20-F41 VanDerWaalsContact CG-CE2 3.49Å; N20-F41 VanDerWaalsContact ND2-CE2 3.29Å; N20-F41 WeakPolarHBondContact ND2-CE2 3.45Å; N20-F41 VanDerWaalsContact O-CB 3.28Å; N20-F41 WeakPolarHBondContact O-CB 3.28Å; N20-N84 PolarHBondContact OD1-N 3.42Å
21K96.3Very high95.1Very high91 Ų9151.2 Ų51.240%0.39627%0.271SS..THydrogen-bonded Turntrans-77.5-18.2170.1-66.5-173.7176.3179.10113.2D16 S17 T29D16-K21 VanDerWaalsContact CA-CE 3.49Å; D16-K21 VanDerWaalsContact O-CE 3.29Å; D16-K21 WeakPolarHBondContact O-CE 3.28Å; D16-K21 WeakPolarHBondContact OD1-CE 3.32Å; D16-K21 IonicContact OD1-NZ 2.77Å; D16-K21 PolarHBondContact OD1-NZ 3.15Å; S17-K21 PolarHBondContact O-N 3.11Å; K21-T29 CarbonylContact O-C 3.48Å; K21-T29 VanDerWaalsContact O-O 3.06Å
22I97.5Very high95.3Very high77 Ų7755.9 Ų55.940%0.39529%0.291SS..SBendtrans-104.5124.3179.3-60.1173.6000108.3N20 A24 H27 H28 N84N20-I22 VanDerWaalsContact C-N 3.32Å; I22-A24 PolarHBondContact O-N 3.34Å; I22-H27 HydrophobicContact CG2-CB 3.91Å; I22-H28 WeakPolarHBondContact CA-O 3.43Å; I22-N84 PolarHBondContact O-ND2 2.93Å
23C98.3Very high95.6Very high0 Ų052.7 Ų52.70%028%0.279CS..  trans-52.5128.9179.6176.10000111.7D25 C26 H27 H28 T31 C43 C46C23-D25 PolarHBondContact O-N 3.16Å; C23-D25 VanDerWaalsContact O-N 3.07Å; C23-C26 VanDerWaalsContact SG-SG 3.69Å; C23-H27 VanDerWaalsContact O-CA 3.3Å; C23-H27 WeakPolarHBondContact O-CA 3.4Å; C23-H27 PolarHBondContact O-CD2 3.07Å; C23-H27 PolarHBondContact O-N 3.32Å; C23-H27 VanDerWaalsContact O-N 3.07Å; C23-H28 HydrophobicContact CB-CB 4.16Å; C23-H28 PolarHBondContact N-O 2.96Å; C23-T31 HydrophobicContact CB-CG2 4.44Å; C23-C43 HydrophobicContact CB-CB 3.96Å; C23-C43 PolarHBondContact SG-N 3.27Å; C23-C46 PolarHBondContact SG-SG 3.39Å
24A98.2Very high95.8Very high1 Ų148.2 Ų48.21%0.00826%0.259CS..THydrogen-bonded Turntrans-59.1-23.7-176.200000114.5I22 V40 F41 L42 N84 N88 K120I22-A24 PolarHBondContact O-N 3.34Å; A24-V40 HydrophobicContact CB-CB 3.8Å; A24-V40 HydrophobicContact CB-CG1 3.99Å; A24-F41 PolarHBondContact N-O 2.94Å; A24-L42 HydrophobicContact CB-CD2 4Å; A24-N84 HydrophobicContact CB-CB 4.48Å; A24-N84 PolarHBondContact N-ND2 3Å; A24-N88 PolarHBondContact O-ND2 3.2Å; A24-N88 PolarHBondContact O-OD1 3.18Å; A24-K120 PolarHBondContact O-NZ 3.44Å
25D98.1Very high95.9Very high0 Ų046.9 Ų46.90%025%0.252CS..THydrogen-bonded Turntrans-107.7-51.1-170.7-62-25.8000113.6C23 L42 H50 F116 I117 K120 Y121C23-D25 PolarHBondContact O-N 3.16Å; C23-D25 VanDerWaalsContact O-N 3.07Å; D25-L42 WeakPolarHBondContact OD2-CD2 3.17Å; D25-H50 IonicContact OD2-CD2 2.72Å; D25-H50 IonicContact OD2-CE1 3Å; D25-H50 IonicContact OD2-NE2 2.85Å; D25-H50 PolarHBondContact OD2-NE2 2.94Å; D25-F116 HydrophobicContact CB-CD1 4.27Å; D25-F116 HydrophobicContact CB-CE1 4.03Å; D25-I117 WeakPolarHBondContact OD2-CG2 3.31Å; D25-K120 IonicContact OD1-NZ 2.79Å; D25-K120 PolarHBondContact OD1-NZ 2.91Å; D25-Y121 WeakPolarHBondContact OD1-CE2 3.32Å; D25-Y121 PolarHBondContact OD1-OH 3.34Å
26C97.3Very high96.1Very high6 Ų645.6 Ų45.64%0.04125%0.246CC..THydrogen-bonded Turntrans-105.7-0.1-177.172.60000114.7C23 H28 P102 P104C23-C26 VanDerWaalsContact SG-SG 3.69Å; C26-H28 PolarHBondContact O-N 3.08Å; C26-H28 VanDerWaalsContact O-N 3.17Å; C26-P102 VanDerWaalsContact CA-O 3.27Å; C26-P102 WeakPolarHBondContact CA-O 3.33Å; C26-P102 HydrophobicContact CB-CB 4.22Å; C26-P102 HydrophobicContact CB-CG 4.06Å; C26-P102 VanDerWaalsContact CB-O 3.25Å; C26-P102 WeakPolarHBondContact CB-O 3.47Å; C26-P104 WeakPolarHBondContact O-CD 3.46Å; C26-P104 WeakPolarHBondContact O-CG 3.16Å
27H96.7Very high96.2Very high86 Ų8643.2 Ų43.240%0.39824%0.236SC..  trans57.225.2-177.3-53.9161.8000114.9I22 C23 T29I22-H27 HydrophobicContact CG2-CB 3.91Å; C23-H27 VanDerWaalsContact O-CA 3.3Å; C23-H27 WeakPolarHBondContact O-CA 3.4Å; C23-H27 PolarHBondContact O-CD2 3.07Å; C23-H27 PolarHBondContact O-N 3.32Å; C23-H27 VanDerWaalsContact O-N 3.07Å; H27-T29 PolarHBondContact O-N 2.8Å
28H97.6Very high96.2Very high69 Ų6943.9 Ų43.932%0.31923%0.233SC..  trans-59.8137.5167.2-169.556.2000109.5I22 C23 C26 V30 C43 P104I22-H28 WeakPolarHBondContact CA-O 3.43Å; C23-H28 HydrophobicContact CB-CB 4.16Å; C23-H28 PolarHBondContact N-O 2.96Å; C26-H28 PolarHBondContact O-N 3.08Å; C26-H28 VanDerWaalsContact O-N 3.17Å; H28-V30 PolarHBondContact CD2-O 3.47Å; H28-V30 PolarHBondContact O-N 3.1Å; H28-V30 VanDerWaalsContact O-N 3.1Å; H28-C43 HydrophobicContact CB-CB 3.84Å; H28-P104 HydrophobicContact CB-CB 3.89Å; H28-P104 HydrophobicContact CB-CG 4.05Å; H28-P104 WeakPolarHBondContact ND1-CB 3.37Å
29T96Very high96.2Very high106 Ų10638.8 Ų38.865%0.6520%0.2SC*.SBendtrans-75.33.3-171.151.40000114.3K21 H27K21-T29 CarbonylContact O-C 3.48Å; K21-T29 VanDerWaalsContact O-O 3.06Å; H27-T29 PolarHBondContact O-N 2.8Å
30V94.3Very high96.3Very high63 Ų6336.2 Ų36.238%0.38218%0.183SC..  trans-131.5123.2178.8-176.60000109.2H28 K32 C43H28-V30 PolarHBondContact CD2-O 3.47Å; H28-V30 PolarHBondContact O-N 3.1Å; H28-V30 VanDerWaalsContact O-N 3.1Å; V30-K32 HydrophobicContact CG1-CD 4.26Å; V30-K32 HydrophobicContact CG1-CG 4.38Å; V30-C43 WeakPolarHBondContact O-CA 3.39Å; V30-C43 VanDerWaalsContact O-CB 3.24Å; V30-C43 WeakPolarHBondContact O-CB 3.47Å
31T96Very high96.3Very high17 Ų1736.1 Ų36.110%0.10418%0.182CC..  trans-97.7142.8169.6530000110.6N20 C23 F41 L42N20-T31 WeakPolarHBondContact O-CB 3.4Å; N20-T31 WeakPolarHBondContact O-CG2 3.36Å; N20-T31 PolarHBondContact O-OG1 3.31Å; C23-T31 HydrophobicContact CB-CG2 4.44Å; T31-F41 HydrophobicContact CG2-CB 3.85Å; T31-L42 CarbonylContact C-O 3.54Å; T31-L42 VanDerWaalsContact CA-O 3.31Å; T31-L42 WeakPolarHBondContact CA-O 3.25Å
32K94.9Very high96.4Very high98 Ų9831.8 Ų31.843%0.42616%0.163SC..  trans-132.6-12.6-179-65.7-62.2-172.6-175.40112.6V30 L42 E44 I60V30-K32 HydrophobicContact CG1-CD 4.26Å; V30-K32 HydrophobicContact CG1-CG 4.38Å; K32-L42 PolarHBondContact N-O 2.76Å; K32-E44 HydrophobicContact CB-CB 4.43Å; K32-E44 HydrophobicContact CG-CB 4.5Å; K32-I60 PolarHBondContact O-N 3.18Å
33Y95.5Very high96.4Very high44 Ų4428.3 Ų28.317%0.17315%0.146CC..EExtended strand (participates in β ladder)trans-134.2153.5-179.1-69.7-92.6000110.3F41 L42 E44 I57 K58 R59Y33-F41 CarbonylContact O-C 3.5Å; Y33-F41 WeakPolarHBondContact O-CA 3.4Å; Y33-L42 PolarHBondContact N-O 2.84Å; Y33-L42 PolarHBondContact O-N 3.32Å; Y33-E44 HydrophobicContact CE2-CB 4.15Å; Y33-E44 HydrophobicContact CE2-CG 4.09Å; Y33-I57 HydrophobicContact CD1-CG2 3.82Å; Y33-I57 HydrophobicContact CG-CG2 4.29Å; Y33-K58 CarbonylContact C-O 3.55Å; Y33-K58 VanDerWaalsContact CA-O 3.29Å; Y33-K58 WeakPolarHBondContact CA-O 3.34Å; Y33-R59 HydrophobicContact CD1-CB 4.29Å; Y33-R59 HydrophobicContact CE1-CB 4.04Å; Y33-R59 HydrophobicContact CE1-CG 4.3Å
34A95.4Very high96.3Very high0 Ų033.5 Ų33.50%017%0.17CC..EExtended strand (participates in β ladder)trans-128.8130.6169.200000109.4V40 F41 I57 K58 I60 W70 L78A34-V40 CarbonylContact C-O 3.49Å; A34-V40 VanDerWaalsContact CA-O 3.26Å; A34-V40 WeakPolarHBondContact CA-O 3.39Å; A34-F41 HydrophobicContact CB-CD1 4.13Å; A34-F41 HydrophobicContact CB-CE1 4.1Å; A34-I57 WeakPolarHBondContact O-CA 3.41Å; A34-K58 PolarHBondContact N-O 2.68Å; A34-K58 PolarHBondContact O-N 2.93Å; A34-I60 HydrophobicContact CB-CD1 4.17Å; A34-I60 HydrophobicContact CB-CG1 4.22Å; A34-W70 HydrophobicContact CB-CH2 3.72Å; A34-W70 HydrophobicContact CB-CZ2 4.23Å; A34-L78 HydrophobicContact CB-CD1 4.24Å
35S95.9Very high96.3Very high0 Ų036.2 Ų36.20%018%0.184CC..EExtended strand (participates in β ladder)trans-93.4110.6174.5179.10000109.1S37 Y38 G39 V40 N56S35-S37 VanDerWaalsContact C-N 3.27Å; S35-Y38 WeakPolarHBondContact OG-CD2 3.49Å; S35-Y38 PolarHBondContact OG-N 3.23Å; S35-G39 WeakPolarHBondContact O-CA 3.32Å; S35-G39 PolarHBondContact O-N 3.25Å; S35-V40 PolarHBondContact N-O 3.08Å; S35-V40 PolarHBondContact O-N 3.16Å; S35-N56 CarbonylContact C-O 3.56Å; S35-N56 WeakPolarHBondContact CA-O 3.39Å
36L93.7Very high96.2Very high3 Ų336.2 Ų36.22%0.01618%0.184CC..THydrogen-bonded Turntrans-70.2-26.7175-62.1-173.8000112.1N56 K58 W70 S74 R77 L78L36-N56 HydrophobicContact CB-CB 4.14Å; L36-N56 PolarHBondContact N-O 2.81Å; L36-K58 HydrophobicContact CD1-CD 3.78Å; L36-K58 VanDerWaalsContact CD1-CE 3.44Å; L36-K58 HydrophobicContact CD1-CG 4.46Å; L36-K58 HydrophobicContact CG-CD 4.39Å; L36-W70 HydrophobicContact CD2-CH2 4.3Å; L36-W70 HydrophobicContact CD2-CZ3 3.8Å; L36-S74 WeakPolarHBondContact CD2-O 3.41Å; L36-R77 WeakPolarHBondContact O-CD 3.29Å; L36-R77 PolarHBondContact O-NE 3.49Å; L36-L78 HydrophobicContact CD2-CD1 3.96Å; L36-L78 HydrophobicContact CD2-CD2 3.73Å; L36-L78 HydrophobicContact CD2-CG 3.5Å; L36-L78 VanDerWaalsContact CD2-CG 3.5Å
37S93.7Very high96.2Very high44 Ų4436 Ų3631%0.30818%0.183SC..THydrogen-bonded Turntrans-64.4-42176.4-68.30000111.6S35 G55 N56S35-S37 VanDerWaalsContact C-N 3.27Å; S37-G55 VanDerWaalsContact OG-CA 3.32Å; S37-G55 WeakPolarHBondContact OG-CA 3.31Å; S37-N56 PolarHBondContact OG-N 2.87Å
38Y95.9Very high96.1Very high54 Ų5435 Ų3521%0.21218%0.183CC..THydrogen-bonded Turntrans-111.4-7.7-173.3-59.8-65.8000114.4S35 L53 I87 Y121S35-Y38 WeakPolarHBondContact OG-CD2 3.49Å; S35-Y38 PolarHBondContact OG-N 3.23Å; Y38-L53 HydrophobicContact CD2-CD1 4.38Å; Y38-L53 HydrophobicContact CE2-CB 4.09Å; Y38-L53 HydrophobicContact CE2-CD1 3.61Å; Y38-I87 VanDerWaalsContact O-CD1 3.25Å; Y38-I87 WeakPolarHBondContact O-CD1 3.3Å; Y38-I87 WeakPolarHBondContact O-CG1 3.27Å; Y38-Y121 AromaticContact CD1-CD1 3.65Å; Y38-Y121 HydrophobicContact CD1-CD1 3.65Å; Y38-Y121 HydrophobicContact CD1-CE1 4.48Å; Y38-Y121 HydrophobicContact CD1-CG 4.24Å; Y38-Y121 HydrophobicContact CD2-CD1 4.11Å; Y38-Y121 HydrophobicContact CD2-CG 4.35Å; Y38-Y121 HydrophobicContact CE1-CD1 4.15Å; Y38-Y121 HydrophobicContact CE1-CG 4.3Å; Y38-Y121 HydrophobicContact CE2-CG 4.43Å; Y38-Y121 AromaticContact CG-CD1 3.63Å; Y38-Y121 HydrophobicContact CG-CD1 3.63Å; Y38-Y121 HydrophobicContact CG-CE1 4.09Å; Y38-Y121 HydrophobicContact CG-CG 4.26Å
39G96.2Very high95.9Very high0 Ų032.1 Ų32.10%017%0.17CC..THydrogen-bonded Turntrans72.131.6178.800000113.9S35 L81 G83S35-G39 WeakPolarHBondContact O-CA 3.32Å; S35-G39 PolarHBondContact O-N 3.25Å; G39-L81 VanDerWaalsContact CA-CD1 3.44Å; G39-G83 CarbonylContact O-C 3.5Å; G39-G83 WeakPolarHBondContact O-CA 3.32Å
40V97.8Very high95.9Very high0 Ų027.1 Ų27.10%014%0.139CC..EExtended strand (participates in β ladder)trans-121.6153.1-174.2-64.70000113A24 A34 S35 L42 N84 I87 Y121A24-V40 HydrophobicContact CB-CB 3.8Å; A24-V40 HydrophobicContact CB-CG1 3.99Å; A34-V40 CarbonylContact C-O 3.49Å; A34-V40 VanDerWaalsContact CA-O 3.26Å; A34-V40 WeakPolarHBondContact CA-O 3.39Å; S35-V40 PolarHBondContact N-O 3.08Å; S35-V40 PolarHBondContact O-N 3.16Å; V40-L42 HydrophobicContact CB-CD2 4.48Å; V40-L42 HydrophobicContact CG2-CD1 4.24Å; V40-L42 HydrophobicContact CG2-CD2 3.95Å; V40-L42 HydrophobicContact CG2-CG 4.07Å; V40-N84 VanDerWaalsContact CA-OD1 3.25Å; V40-N84 WeakPolarHBondContact CA-OD1 3.32Å; V40-N84 WeakPolarHBondContact CB-OD1 3.19Å; V40-I87 HydrophobicContact CG1-CB 3.73Å; V40-I87 HydrophobicContact CG1-CG1 4.02Å; V40-I87 HydrophobicContact CG1-CG2 3.42Å; V40-I87 VanDerWaalsContact CG1-CG2 3.42Å; V40-Y121 HydrophobicContact CG1-CE1 4.24Å; V40-Y121 HydrophobicContact CG2-CE1 4.39Å
41F97.8Very high95.8Very high0 Ų030.1 Ų30.10%015%0.149CC..EExtended strand (participates in β ladder)trans-108131.6175.1-65.8-105.9000109.6Q14 I15 N20 A24 T31 Y33 A34 I60 L78 N84Q14-F41 HydrophobicContact CB-CZ 3.79Å; I15-F41 HydrophobicContact CG1-CE1 3.99Å; N20-F41 HydrophobicContact CB-CB 4.2Å; N20-F41 HydrophobicContact CB-CD1 4.11Å; N20-F41 HydrophobicContact CB-CD2 3.6Å; N20-F41 HydrophobicContact CB-CE1 4.46Å; N20-F41 HydrophobicContact CB-CE2 3.98Å; N20-F41 HydrophobicContact CB-CG 3.71Å; N20-F41 HydrophobicContact CB-CZ 4.41Å; N20-F41 VanDerWaalsContact CG-CE2 3.49Å; N20-F41 VanDerWaalsContact ND2-CE2 3.29Å; N20-F41 WeakPolarHBondContact ND2-CE2 3.45Å; N20-F41 VanDerWaalsContact O-CB 3.28Å; N20-F41 WeakPolarHBondContact O-CB 3.28Å; A24-F41 PolarHBondContact N-O 2.94Å; T31-F41 HydrophobicContact CG2-CB 3.85Å; Y33-F41 CarbonylContact O-C 3.5Å; Y33-F41 WeakPolarHBondContact O-CA 3.4Å; A34-F41 HydrophobicContact CB-CD1 4.13Å; A34-F41 HydrophobicContact CB-CE1 4.1Å; F41-I60 HydrophobicContact CD1-CD1 3.52Å; F41-I60 HydrophobicContact CE1-CD1 3.95Å; F41-L78 HydrophobicContact CZ-CD1 3.98Å; F41-N84 PolarHBondContact N-OD1 2.95Å; F41-N84 PolarHBondContact O-ND2 3.44Å
42L97.9Very high95.5Very high0 Ų032.1 Ų32.10%016%0.161CC..EExtended strand (participates in β ladder)trans-132.1146.9-164.5-58170.9000110.4A24 D25 T31 K32 Y33 V40 C46 H50A24-L42 HydrophobicContact CB-CD2 4Å; D25-L42 WeakPolarHBondContact OD2-CD2 3.17Å; T31-L42 CarbonylContact C-O 3.54Å; T31-L42 VanDerWaalsContact CA-O 3.31Å; T31-L42 WeakPolarHBondContact CA-O 3.25Å; K32-L42 PolarHBondContact N-O 2.76Å; Y33-L42 PolarHBondContact N-O 2.84Å; Y33-L42 PolarHBondContact O-N 3.32Å; V40-L42 HydrophobicContact CB-CD2 4.48Å; V40-L42 HydrophobicContact CG2-CD1 4.24Å; V40-L42 HydrophobicContact CG2-CD2 3.95Å; V40-L42 HydrophobicContact CG2-CG 4.07Å; L42-C46 HydrophobicContact CB-CB 4.06Å; L42-C46 HydrophobicContact CD2-CB 4.13Å; L42-H50 HydrophobicContact CD1-CB 4.15Å; L42-H50 WeakPolarHBondContact CD1-ND1 3.29Å
43C97.3Very high95.4Very high4 Ų428.2 Ų28.23%0.02715%0.145CC..  trans-68.5168.4165.172.20000110.7C23 H28 V30 L45 C46 G47C23-C43 HydrophobicContact CB-CB 3.96Å; C23-C43 PolarHBondContact SG-N 3.27Å; H28-C43 HydrophobicContact CB-CB 3.84Å; V30-C43 WeakPolarHBondContact O-CA 3.39Å; V30-C43 VanDerWaalsContact O-CB 3.24Å; V30-C43 WeakPolarHBondContact O-CB 3.47Å; C43-L45 VanDerWaalsContact C-N 3.35Å; C43-L45 PolarHBondContact O-N 3.26Å; C43-C46 PolarHBondContact O-N 3.08Å; C43-G47 PolarHBondContact O-N 2.9Å
44E96.5Very high94.9Very high109 Ų10933.6 Ų33.651%0.50918%0.177SC..Hα-helixtrans-52.1-50.1-179.9179163.2-14800113.3K32 Y33 C46 G47 V48K32-E44 HydrophobicContact CB-CB 4.43Å; K32-E44 HydrophobicContact CG-CB 4.5Å; Y33-E44 HydrophobicContact CE2-CB 4.15Å; Y33-E44 HydrophobicContact CE2-CG 4.09Å; E44-C46 PolarHBondContact O-N 3.5Å; E44-G47 PolarHBondContact O-N 2.85Å; E44-V48 WeakPolarHBondContact O-CG2 3.44Å; E44-V48 PolarHBondContact O-N 3.06Å
45L97Very high94.1Very high58 Ų5834.5 Ų34.530%0.30419%0.186SC..Hα-helixtrans-64.3-37.5-178.9-60175.3000113.1C43 S49 G105 V106C43-L45 VanDerWaalsContact C-N 3.35Å; C43-L45 PolarHBondContact O-N 3.26Å; L45-S49 PolarHBondContact O-N 3.31Å; L45-S49 VanDerWaalsContact O-N 3.13Å; L45-S49 PolarHBondContact O-OG 2.96Å; L45-G105 VanDerWaalsContact CD1-O 3.3Å; L45-G105 WeakPolarHBondContact CD1-O 3.42Å; L45-V106 HydrophobicContact CD1-CG1 4.19Å; L45-V106 HydrophobicContact CD2-CG1 4.3Å
46C97.7Very high93.8Very high0 Ų038.4 Ų38.40%021%0.207CC..Hα-helixtrans-74.8-37176.1-640000111.7C23 L42 C43 E44 V48 S49 H50 R113C23-C46 PolarHBondContact SG-SG 3.39Å; L42-C46 HydrophobicContact CB-CB 4.06Å; L42-C46 HydrophobicContact CD2-CB 4.13Å; C43-C46 PolarHBondContact O-N 3.08Å; E44-C46 PolarHBondContact O-N 3.5Å; C46-V48 VanDerWaalsContact C-N 3.33Å; C46-V48 PolarHBondContact O-N 3.26Å; C46-S49 PolarHBondContact O-N 2.88Å; C46-H50 PolarHBondContact O-CD2 3.4Å; C46-H50 PolarHBondContact O-N 3.1Å; C46-R113 PolarHBondContact SG-NH1 3.36Å
47G96.1Very high93.8Very high1 Ų140.1 Ų40.11%0.0122%0.216CC..Hα-helixtrans-58.7-45.1174.400000111.7C43 E44 H50C43-G47 PolarHBondContact O-N 2.9Å; E44-G47 PolarHBondContact O-N 2.85Å; G47-H50 PolarHBondContact O-N 3.46Å
48V94.7Very high93.7Very high66 Ų6640.2 Ų40.240%0.421%0.211SC..Hα-helixtrans-61.6-48173.3174.20000111E44 C46 H50 Q51E44-V48 WeakPolarHBondContact O-CG2 3.44Å; E44-V48 PolarHBondContact O-N 3.06Å; C46-V48 VanDerWaalsContact C-N 3.33Å; C46-V48 PolarHBondContact O-N 3.26Å; V48-H50 PolarHBondContact O-N 3Å; V48-Q51 VanDerWaalsContact O-CB 3.23Å; V48-Q51 WeakPolarHBondContact O-CB 3.33Å; V48-Q51 VanDerWaalsContact O-CG 3.23Å; V48-Q51 WeakPolarHBondContact O-CG 3.36Å; V48-Q51 PolarHBondContact O-N 2.77Å
49S94.4Very high93.5Very high7 Ų743.8 Ų43.85%0.04922%0.224CC..Hα-helixtrans-61.5-30.9178-67.20000113.4L45 C46 Q51 V52 R113 I117L45-S49 PolarHBondContact O-N 3.31Å; L45-S49 VanDerWaalsContact O-N 3.13Å; L45-S49 PolarHBondContact O-OG 2.96Å; C46-S49 PolarHBondContact O-N 2.88Å; S49-Q51 PolarHBondContact O-N 3.4Å; S49-V52 WeakPolarHBondContact O-CG2 3.47Å; S49-V52 PolarHBondContact O-N 2.87Å; S49-R113 VanDerWaalsContact OG-CD 3.28Å; S49-R113 WeakPolarHBondContact OG-CD 3.36Å; S49-I117 VanDerWaalsContact C-CD1 3.45Å; S49-I117 WeakPolarHBondContact O-CD1 3.27Å
50H95.9Very high93.1Very high1 Ų144.7 Ų44.71%0.00523%0.229CC..G310 helixtrans-66.3-15176.7-87.3-131.8000113.5D25 L42 C46 G47 V48 V52 L53 I57 Y121D25-H50 IonicContact OD2-CD2 2.72Å; D25-H50 IonicContact OD2-CE1 3Å; D25-H50 IonicContact OD2-NE2 2.85Å; D25-H50 PolarHBondContact OD2-NE2 2.94Å; L42-H50 HydrophobicContact CD1-CB 4.15Å; L42-H50 WeakPolarHBondContact CD1-ND1 3.29Å; C46-H50 PolarHBondContact O-CD2 3.4Å; C46-H50 PolarHBondContact O-N 3.1Å; G47-H50 PolarHBondContact O-N 3.46Å; V48-H50 PolarHBondContact O-N 3Å; H50-V52 PolarHBondContact O-N 2.83Å; H50-L53 HydrophobicContact CB-CD1 4.4Å; H50-L53 WeakPolarHBondContact O-CB 3.35Å; H50-L53 PolarHBondContact O-N 3.32Å; H50-I57 VanDerWaalsContact C-CD1 3.41Å; H50-I57 HydrophobicContact CB-CD1 3.32Å; H50-I57 HydrophobicContact CB-CG1 4.22Å; H50-Y121 AromaticContact CE1-CD2 3.89Å; H50-Y121 AromaticContact CE1-CE2 3.36Å; H50-Y121 WeakPolarHBondContact CE1-CE2 3.3Å; H50-Y121 AromaticContact CE1-CZ 3.64Å; H50-Y121 AromaticContact NE2-CE2 3.44Å; H50-Y121 WeakPolarHBondContact NE2-CE2 3.4Å
51Q91.2Very high92.3Very high126 Ų12645.9 Ų45.959%0.58924%0.237SC*.G310 helixtrans-56.7-33.3174.7-66.9176-15.100111.9V48 S49 L53 N54 I57V48-Q51 VanDerWaalsContact O-CB 3.23Å; V48-Q51 WeakPolarHBondContact O-CB 3.33Å; V48-Q51 VanDerWaalsContact O-CG 3.23Å; V48-Q51 WeakPolarHBondContact O-CG 3.36Å; V48-Q51 PolarHBondContact O-N 2.77Å; S49-Q51 PolarHBondContact O-N 3.4Å; Q51-L53 PolarHBondContact O-N 2.73Å; Q51-N54 PolarHBondContact O-N 2.99Å; Q51-N54 VanDerWaalsContact O-N 3.14Å; Q51-I57 HydrophobicContact CG-CD1 4.48Å
52V90.4Very high90.7Very high59 Ų5951.7 Ų51.736%0.35827%0.272SS..G310 helixtrans-69.4-12.4178-46.80000113.6S49 H50 N54 I117S49-V52 WeakPolarHBondContact O-CG2 3.47Å; S49-V52 PolarHBondContact O-N 2.87Å; H50-V52 PolarHBondContact O-N 2.83Å; V52-N54 VanDerWaalsContact C-N 3.28Å; V52-I117 HydrophobicContact CG2-CD1 4.14Å
53L92.8Very high89.1Confident16 Ų1655.3 Ų55.38%0.08429%0.292CS..G310 helixtrans-86.4-0.3176.3-52.1-178.8000112Y38 H50 Q51 G55 I117 K118 Y121 I122Y38-L53 HydrophobicContact CD2-CD1 4.38Å; Y38-L53 HydrophobicContact CE2-CB 4.09Å; Y38-L53 HydrophobicContact CE2-CD1 3.61Å; H50-L53 HydrophobicContact CB-CD1 4.4Å; H50-L53 WeakPolarHBondContact O-CB 3.35Å; H50-L53 PolarHBondContact O-N 3.32Å; Q51-L53 PolarHBondContact O-N 2.73Å; L53-G55 PolarHBondContact O-N 2.84Å; L53-G55 VanDerWaalsContact O-N 3.15Å; L53-I117 HydrophobicContact CD1-CB 4.3Å; L53-I117 HydrophobicContact CD1-CD1 4.05Å; L53-I117 HydrophobicContact CD1-CG1 4.35Å; L53-I117 HydrophobicContact CD2-CD1 4.15Å; L53-I117 HydrophobicContact CD2-CG1 4.21Å; L53-I117 HydrophobicContact CG-CD1 4.01Å; L53-I117 HydrophobicContact CG-CG1 4.5Å; L53-K118 HydrophobicContact CD2-CG 4.06Å; L53-Y121 HydrophobicContact CD1-CD2 4.1Å; L53-Y121 HydrophobicContact CD1-CG 4.41Å; L53-I122 HydrophobicContact CD2-CD1 3.62Å; L53-I122 HydrophobicContact CD2-CG1 3.97Å
54N84.2Confident87.5Confident157 Ų15763.4 Ų63.484%0.8433%0.329SS*.THydrogen-bonded Turntrans52.431.9-173.9-61.2-31.5000112.8Q51 V52Q51-N54 PolarHBondContact O-N 2.99Å; Q51-N54 VanDerWaalsContact O-N 3.14Å; V52-N54 VanDerWaalsContact C-N 3.28Å
55G79.2Confident86.2Confident19 Ų1962.4 Ų62.420%0.19633%0.325CS..  trans-86.7157.5-179.200000113S37 L53 I57S37-G55 VanDerWaalsContact OG-CA 3.32Å; S37-G55 WeakPolarHBondContact OG-CA 3.31Å; L53-G55 PolarHBondContact O-N 2.84Å; L53-G55 VanDerWaalsContact O-N 3.15Å; G55-I57 PolarHBondContact O-N 3.07Å
56N90.3Very high84.8Confident83 Ų8359.8 Ų59.844%0.44431%0.311SS..  trans-78.8106.7170.7-176.2-15.9000109S35 L36 S37S35-N56 CarbonylContact C-O 3.56Å; S35-N56 WeakPolarHBondContact CA-O 3.39Å; L36-N56 HydrophobicContact CB-CB 4.14Å; L36-N56 PolarHBondContact N-O 2.81Å; S37-N56 PolarHBondContact OG-N 2.87Å
57I92.6Very high83.2Confident39 Ų3962.8 Ų62.820%0.233%0.332CS..EExtended strand (participates in β ladder)trans-121.2133.7-177.7-53.7159.1000108.5Y33 A34 H50 Q51 G55Y33-I57 HydrophobicContact CD1-CG2 3.82Å; Y33-I57 HydrophobicContact CG-CG2 4.29Å; A34-I57 WeakPolarHBondContact O-CA 3.41Å; H50-I57 VanDerWaalsContact C-CD1 3.41Å; H50-I57 HydrophobicContact CB-CD1 3.32Å; H50-I57 HydrophobicContact CB-CG1 4.22Å; Q51-I57 HydrophobicContact CG-CD1 4.48Å; G55-I57 PolarHBondContact O-N 3.07Å
58K91.6Very high81.9Confident46 Ų4670.2 Ų70.220%0.237%0.37CS..EExtended strand (participates in β ladder)trans-122.6142.1178.5-68.7178.4-179.9-77.10110.3Y33 A34 L36 I69 W70Y33-K58 CarbonylContact C-O 3.55Å; Y33-K58 VanDerWaalsContact CA-O 3.29Å; Y33-K58 WeakPolarHBondContact CA-O 3.34Å; A34-K58 PolarHBondContact N-O 2.68Å; A34-K58 PolarHBondContact O-N 2.93Å; L36-K58 HydrophobicContact CD1-CD 3.78Å; L36-K58 VanDerWaalsContact CD1-CE 3.44Å; L36-K58 HydrophobicContact CD1-CG 4.46Å; L36-K58 HydrophobicContact CG-CD 4.39Å; K58-I69 HydrophobicContact CB-CG2 3.87Å; K58-I69 HydrophobicContact CD-CG2 4.02Å; K58-I69 WeakPolarHBondContact CE-O 3.31Å; K58-I69 HydrophobicContact CG-CG2 4.02Å; K58-I69 PolarHBondContact NZ-O 3.34Å; K58-W70 HydrophobicContact CB-CH2 4.07Å; K58-W70 HydrophobicContact CB-CZ2 3.73Å; K58-W70 HydrophobicContact CD-CD2 4.24Å; K58-W70 HydrophobicContact CD-CE3 4.2Å; K58-W70 HydrophobicContact CD-CH2 4.36Å; K58-W70 HydrophobicContact CD-CZ2 4.43Å; K58-W70 HydrophobicContact CD-CZ3 4.27Å
59R91.2Very high81.2Confident128 Ų12869.5 Ų69.548%0.48336%0.364SS..EExtended strand (participates in β ladder)trans-71140.2170.1-167178.3-175.1-156.55108.9Y33 W70Y33-R59 HydrophobicContact CD1-CB 4.29Å; Y33-R59 HydrophobicContact CE1-CB 4.04Å; Y33-R59 HydrophobicContact CE1-CG 4.3Å; R59-W70 PolarHBondContact O-NE1 2.77Å
60I88.4Confident80.9Confident20 Ų2069.6 Ų69.610%0.10336%0.363CS..  trans-91.1120.1171.2-60.1165000106.5I15 K32 A34 F41 W70I15-I60 HydrophobicContact CD1-CG2 3.46Å; I15-I60 VanDerWaalsContact CD1-CG2 3.46Å; I15-I60 HydrophobicContact CG1-CG2 3.83Å; I15-I60 HydrophobicContact CG2-CG2 4.15Å; K32-I60 PolarHBondContact O-N 3.18Å; A34-I60 HydrophobicContact CB-CD1 4.17Å; A34-I60 HydrophobicContact CB-CG1 4.22Å; F41-I60 HydrophobicContact CD1-CD1 3.52Å; F41-I60 HydrophobicContact CE1-CD1 3.95Å; I60-W70 HydrophobicContact CG1-CZ2 4.41Å
61S80.5Confident80.5Confident25 Ų2572 Ų7218%0.17538%0.38CS..  trans-118.8175.7178.5-162.90000111.5E65 N66S61-E65 WeakPolarHBondContact CB-OE2 3.5Å; S61-E65 WeakPolarHBondContact OG-CB 3.38Å; S61-E65 PolarHBondContact OG-OE2 2.81Å; S61-N66 PolarHBondContact N-OD1 3.03Å; S61-N66 PolarHBondContact O-ND2 3.45Å; S61-N66 PolarHBondContact O-OD1 3.39Å
62T64.5Low80.4Confident122 Ų12269 Ų6975%0.74837%0.368SS*.SBendtrans-91.3113.3169.347.50000108.8E64T62-E64 PolarHBondContact O-N 2.82Å
63D65.1Low80.5Confident75 Ų7572.5 Ų72.540%0.40138%0.384SS..THydrogen-bonded Turntrans48.5-75.1167.1-59.6-19.7000119R12 E65 N66R12-D63 IonicContact CZ-OD1 2.73Å; R12-D63 IonicContact CZ-OD2 3.82Å; R12-D63 IonicContact NE-OD1 3.1Å; R12-D63 PolarHBondContact NE-OD1 3.09Å; R12-D63 VanDerWaalsContact NE-OD1 3.12Å; R12-D63 IonicContact NH2-OD1 3.61Å; R12-D63 PolarHBondContact NH2-OD1 2.9Å; R12-D63 IonicContact NH2-OD2 3.72Å; R12-D63 PolarHBondContact NH2-OD2 3.29Å; D63-E65 PolarHBondContact O-N 3.34Å; D63-N66 WeakPolarHBondContact O-CB 3.42Å; D63-N66 PolarHBondContact O-N 2.99Å
64E62.6Low80.4Confident175 Ų17572.4 Ų72.482%0.81839%0.385SS*.THydrogen-bonded Turntrans-65-40.7-168.5-66.5-174.5179.500112.6T62 N66T62-E64 PolarHBondContact O-N 2.82Å; E64-N66 VanDerWaalsContact C-N 3.29Å; E64-N66 PolarHBondContact O-N 2.85Å
65E69.9Low80.7Confident88 Ų8865 Ų6541%0.41135%0.345SS..THydrogen-bonded Turntrans-71.3-25.2175.8-68.9-177168.300112.2S61 D63 S67 L68 I69S61-E65 WeakPolarHBondContact CB-OE2 3.5Å; S61-E65 WeakPolarHBondContact OG-CB 3.38Å; S61-E65 PolarHBondContact OG-OE2 2.81Å; D63-E65 PolarHBondContact O-N 3.34Å; E65-S67 PolarHBondContact O-N 3.37Å; E65-L68 PolarHBondContact O-N 2.81Å; E65-I69 HydrophobicContact CB-CD1 4.13Å; E65-I69 WeakPolarHBondContact O-CD1 3.18Å; E65-I69 VanDerWaalsContact O-CG1 3.28Å; E65-I69 WeakPolarHBondContact O-CG1 3.26Å; E65-I69 PolarHBondContact O-N 2.98Å; E65-I69 VanDerWaalsContact O-N 3.15Å
66N66.7Low81.4Confident3 Ų366.9 Ų66.92%0.01636%0.356CS..Hα-helixtrans-67.9-37.9-176-76.5-24.6000111.6I8 L11 S61 D63 E64 L68 I69 W70I8-N66 HydrophobicContact CD1-CB 4.16Å; L11-N66 HydrophobicContact CD2-CB 4.17Å; S61-N66 PolarHBondContact N-OD1 3.03Å; S61-N66 PolarHBondContact O-ND2 3.45Å; S61-N66 PolarHBondContact O-OD1 3.39Å; D63-N66 WeakPolarHBondContact O-CB 3.42Å; D63-N66 PolarHBondContact O-N 2.99Å; E64-N66 VanDerWaalsContact C-N 3.29Å; E64-N66 PolarHBondContact O-N 2.85Å; N66-L68 PolarHBondContact O-N 3.34Å; N66-L68 VanDerWaalsContact O-N 3.15Å; N66-I69 PolarHBondContact O-N 3.42Å; N66-I69 VanDerWaalsContact O-N 3.12Å; N66-W70 VanDerWaalsContact O-CB 3.31Å; N66-W70 WeakPolarHBondContact O-CB 3.41Å; N66-W70 VanDerWaalsContact O-CD1 3.32Å; N66-W70 PolarHBondContact O-N 3.39Å; N66-W70 PolarHBondContact OD1-NE1 2.97Å
67S64.8Low81.5Confident62 Ų6269.3 Ų69.343%0.43436%0.359SS..Hα-helixtrans-62.9-19.7177.6-56.80000113.5E65E65-S67 PolarHBondContact O-N 3.37Å
68L68.1Low81.5Confident157 Ų15767.4 Ų67.482%0.82235%0.349SS*.Hα-helixtrans-92.1-29.8175.6-64.1172.2000112.7E65 N66E65-L68 PolarHBondContact O-N 2.81Å; N66-L68 PolarHBondContact O-N 3.34Å; N66-L68 VanDerWaalsContact O-N 3.15Å
69I81Confident81.5Confident51 Ų5170.3 Ų70.326%0.26236%0.362SS..Hα-helixtrans-92.2-31.6-173.9-64.6166.7000111.5K58 E65 N66K58-I69 HydrophobicContact CB-CG2 3.87Å; K58-I69 HydrophobicContact CD-CG2 4.02Å; K58-I69 WeakPolarHBondContact CE-O 3.31Å; K58-I69 HydrophobicContact CG-CG2 4.02Å; K58-I69 PolarHBondContact NZ-O 3.34Å; E65-I69 HydrophobicContact CB-CD1 4.13Å; E65-I69 WeakPolarHBondContact O-CD1 3.18Å; E65-I69 VanDerWaalsContact O-CG1 3.28Å; E65-I69 WeakPolarHBondContact O-CG1 3.26Å; E65-I69 PolarHBondContact O-N 2.98Å; E65-I69 VanDerWaalsContact O-N 3.15Å; N66-I69 PolarHBondContact O-N 3.42Å; N66-I69 VanDerWaalsContact O-N 3.12Å
70W87.3Confident81.7Confident10 Ų1073.3 Ų73.34%0.03838%0.378CS..  trans-109.5140.8-168.6-65.186.5000112.3Y7 L11 A34 L36 K58 R59 I60 N66 V75 L78Y7-W70 HydrophobicContact CE2-CB 4.1Å; L11-W70 HydrophobicContact CD1-CD2 3.87Å; L11-W70 HydrophobicContact CD1-CE3 3.79Å; L11-W70 HydrophobicContact CD1-CH2 4Å; L11-W70 HydrophobicContact CD1-CZ2 4.07Å; L11-W70 HydrophobicContact CD1-CZ3 3.85Å; L11-W70 HydrophobicContact CD2-CB 4.03Å; L11-W70 HydrophobicContact CD2-CD2 3.62Å; L11-W70 HydrophobicContact CD2-CE3 4.24Å; L11-W70 HydrophobicContact CD2-CG 3.47Å; L11-W70 VanDerWaalsContact CD2-CG 3.47Å; L11-W70 HydrophobicContact CG-CD2 4.41Å; A34-W70 HydrophobicContact CB-CH2 3.72Å; A34-W70 HydrophobicContact CB-CZ2 4.23Å; L36-W70 HydrophobicContact CD2-CH2 4.3Å; L36-W70 HydrophobicContact CD2-CZ3 3.8Å; K58-W70 HydrophobicContact CB-CH2 4.07Å; K58-W70 HydrophobicContact CB-CZ2 3.73Å; K58-W70 HydrophobicContact CD-CD2 4.24Å; K58-W70 HydrophobicContact CD-CE3 4.2Å; K58-W70 HydrophobicContact CD-CH2 4.36Å; K58-W70 HydrophobicContact CD-CZ2 4.43Å; K58-W70 HydrophobicContact CD-CZ3 4.27Å; R59-W70 PolarHBondContact O-NE1 2.77Å; I60-W70 HydrophobicContact CG1-CZ2 4.41Å; N66-W70 VanDerWaalsContact O-CB 3.31Å; N66-W70 WeakPolarHBondContact O-CB 3.41Å; N66-W70 VanDerWaalsContact O-CD1 3.32Å; N66-W70 PolarHBondContact O-N 3.39Å; N66-W70 PolarHBondContact OD1-NE1 2.97Å; W70-V75 HydrophobicContact CE3-CG2 4.03Å; W70-L78 HydrophobicContact CH2-CD1 3.6Å; W70-L78 HydrophobicContact CZ3-CD1 3.39Å; W70-L78 HydrophobicContact CZ3-CG 4.34Å
71S88.3Confident82.1Confident52 Ų5274.9 Ų74.936%0.36439%0.387SS..  trans-117.4159.6170.664.30000109.9D73 S74 V75S71-D73 VanDerWaalsContact C-N 3.26Å; S71-D73 PolarHBondContact O-N 3.07Å; S71-S74 VanDerWaalsContact O-CB 3.31Å; S71-S74 WeakPolarHBondContact O-CB 3.4Å; S71-S74 PolarHBondContact O-N 3.42Å; S71-S74 PolarHBondContact OG-N 3.21Å; S71-S74 PolarHBondContact OG-OG 3.17Å; S71-V75 PolarHBondContact O-N 3.5Å; S71-V75 VanDerWaalsContact O-N 3.11Å
72D89.1Confident82.7Confident63 Ų6375.2 Ų75.234%0.33739%0.394SS..Hα-helixtrans-53.9-43.7175.3-17547.2000112.1Y7 S74 V75 S76Y7-D72 WeakPolarHBondContact CB-OD1 3.41Å; Y7-D72 HydrophobicContact CG-CB 4.39Å; D72-S74 VanDerWaalsContact C-N 3.29Å; D72-S74 PolarHBondContact O-N 2.91Å; D72-V75 PolarHBondContact O-N 3.31Å; D72-S76 VanDerWaalsContact O-CB 3.27Å; D72-S76 WeakPolarHBondContact O-CB 3.49Å; D72-S76 PolarHBondContact O-N 3.12Å; D72-S76 PolarHBondContact O-OG 3.46Å
73D91.3Very high84.3Confident131 Ų13169.4 Ų69.470%0.70136%0.358SS*.Hα-helixtrans-57.6-40174.6-68.2-31.5000113S71 R77S71-D73 VanDerWaalsContact C-N 3.26Å; S71-D73 PolarHBondContact O-N 3.07Å; D73-R77 VanDerWaalsContact O-CB 3.26Å; D73-R77 WeakPolarHBondContact O-CB 3.2Å; D73-R77 PolarHBondContact O-N 3.28Å
74S91.4Very high85.8Confident14 Ų1466 Ų6610%0.09834%0.34CS..Hα-helixtrans-65.9-43.5179.7-620000111.1L36 S71 D72 L78L36-S74 WeakPolarHBondContact CD2-O 3.41Å; S71-S74 VanDerWaalsContact O-CB 3.31Å; S71-S74 WeakPolarHBondContact O-CB 3.4Å; S71-S74 PolarHBondContact O-N 3.42Å; S71-S74 PolarHBondContact OG-N 3.21Å; S71-S74 PolarHBondContact OG-OG 3.17Å; D72-S74 VanDerWaalsContact C-N 3.29Å; D72-S74 PolarHBondContact O-N 2.91Å; S74-L78 PolarHBondContact O-N 3.48Å
75V90.9Very high87.5Confident1 Ų163.6 Ų63.61%0.00633%0.327CS..Hα-helixtrans-70.5-45.1179.5-179.80000111Y7 N10 L11 W70 S71 D72 R77 L78 K79Y7-V75 HydrophobicContact CD2-CG2 3.93Å; N10-V75 HydrophobicContact CB-CG1 3.64Å; L11-V75 HydrophobicContact CB-CG1 4.15Å; L11-V75 HydrophobicContact CB-CG2 3.83Å; L11-V75 HydrophobicContact CD1-CG2 4.31Å; L11-V75 HydrophobicContact CG-CG2 4.45Å; W70-V75 HydrophobicContact CE3-CG2 4.03Å; S71-V75 PolarHBondContact O-N 3.5Å; S71-V75 VanDerWaalsContact O-N 3.11Å; D72-V75 PolarHBondContact O-N 3.31Å; V75-R77 VanDerWaalsContact C-N 3.25Å; V75-R77 PolarHBondContact O-N 3.09Å; V75-L78 WeakPolarHBondContact O-CB 3.25Å; V75-L78 PolarHBondContact O-N 2.97Å; V75-L78 VanDerWaalsContact O-N 3.13Å; V75-K79 PolarHBondContact O-N 3.3Å
76S92.8Very high88.8Confident59 Ų5962.8 Ų62.841%0.41333%0.328SS..Hα-helixtrans-57.6-39.8175.4-74.70000111.7D72 K79 K80D72-S76 VanDerWaalsContact O-CB 3.27Å; D72-S76 WeakPolarHBondContact O-CB 3.49Å; D72-S76 PolarHBondContact O-N 3.12Å; D72-S76 PolarHBondContact O-OG 3.46Å; S76-K79 PolarHBondContact O-N 2.9Å; S76-K80 WeakPolarHBondContact O-CB 3.22Å; S76-K80 PolarHBondContact O-N 3.3Å
77R93.3Very high90.3Very high134 Ų13463.5 Ų63.551%0.50633%0.331SS..Hα-helixtrans-63.1-45.7174.1-175.1175.1-178.5105.13.8112.6L36 D73 V75 K80 L81L36-R77 WeakPolarHBondContact O-CD 3.29Å; L36-R77 PolarHBondContact O-NE 3.49Å; D73-R77 VanDerWaalsContact O-CB 3.26Å; D73-R77 WeakPolarHBondContact O-CB 3.2Å; D73-R77 PolarHBondContact O-N 3.28Å; V75-R77 VanDerWaalsContact C-N 3.25Å; V75-R77 PolarHBondContact O-N 3.09Å; R77-K80 PolarHBondContact O-N 3.38Å; R77-L81 HydrophobicContact CG-CD1 4.16Å; R77-L81 WeakPolarHBondContact O-CG 3.47Å; R77-L81 PolarHBondContact O-N 2.84Å; R77-L81 VanDerWaalsContact O-N 3.08Å
78L92.7Very high91.9Very high0 Ų061.9 Ų61.90%032%0.318CS..Hα-helixtrans-59.6-47.2175.8-76.2-179.7000111.8A34 L36 F41 W70 S74 V75 K80 L81 G82A34-L78 HydrophobicContact CB-CD1 4.24Å; L36-L78 HydrophobicContact CD2-CD1 3.96Å; L36-L78 HydrophobicContact CD2-CD2 3.73Å; L36-L78 HydrophobicContact CD2-CG 3.5Å; L36-L78 VanDerWaalsContact CD2-CG 3.5Å; F41-L78 HydrophobicContact CZ-CD1 3.98Å; W70-L78 HydrophobicContact CH2-CD1 3.6Å; W70-L78 HydrophobicContact CZ3-CD1 3.39Å; W70-L78 HydrophobicContact CZ3-CG 4.34Å; S74-L78 PolarHBondContact O-N 3.48Å; V75-L78 WeakPolarHBondContact O-CB 3.25Å; V75-L78 PolarHBondContact O-N 2.97Å; V75-L78 VanDerWaalsContact O-N 3.13Å; L78-K80 VanDerWaalsContact C-N 3.29Å; L78-K80 PolarHBondContact O-N 3.48Å; L78-L81 PolarHBondContact O-N 2.68Å; L78-L81 VanDerWaalsContact O-N 3.16Å; L78-G82 PolarHBondContact O-N 2.79Å; L78-G82 VanDerWaalsContact O-N 3.12Å
79K92.5Very high93.3Very high107 Ų10760.2 Ų60.247%0.46531%0.306SS..Hα-helixtrans-58.7-42.9178.8-169.6173.2-174170.80111.1N10 V75 S76 L81 G82N10-K79 PolarHBondContact OD1-NZ 2.9Å; V75-K79 PolarHBondContact O-N 3.3Å; S76-K79 PolarHBondContact O-N 2.9Å; K79-L81 PolarHBondContact O-N 3.41Å; K79-G82 PolarHBondContact O-N 3.46Å
80K95.2Very high94Very high191 Ų19162.3 Ų62.383%0.8332%0.317SS*.Hα-helixtrans-63.8-35.9177.1-175.5176.4179.1177.20113.2S76 R77 L78S76-K80 WeakPolarHBondContact O-CB 3.22Å; S76-K80 PolarHBondContact O-N 3.3Å; R77-K80 PolarHBondContact O-N 3.38Å; L78-K80 VanDerWaalsContact C-N 3.29Å; L78-K80 PolarHBondContact O-N 3.48Å
81L95Very high94.5Very high53 Ų5362.4 Ų62.428%0.27732%0.319SS..Hα-helixtrans-78.7-18.7179.4-68.9171.8000113.2G39 R77 L78 K79 G83 I87G39-L81 VanDerWaalsContact CA-CD1 3.44Å; R77-L81 HydrophobicContact CG-CD1 4.16Å; R77-L81 WeakPolarHBondContact O-CG 3.47Å; R77-L81 PolarHBondContact O-N 2.84Å; R77-L81 VanDerWaalsContact O-N 3.08Å; L78-L81 PolarHBondContact O-N 2.68Å; L78-L81 VanDerWaalsContact O-N 3.16Å; K79-L81 PolarHBondContact O-N 3.41Å; L81-G83 PolarHBondContact O-N 2.75Å; L81-I87 HydrophobicContact CB-CD1 4.42Å
82G94.6Very high95Very high31 Ų3161 Ų6132%0.3231%0.306SS..THydrogen-bonded Turntrans85.13.3169.300000116L78 K79 V86L78-G82 PolarHBondContact O-N 2.79Å; L78-G82 VanDerWaalsContact O-N 3.12Å; K79-G82 PolarHBondContact O-N 3.46Å; G82-V86 WeakPolarHBondContact O-CG2 3.5Å
83G96.7Very high95.4Very high0 Ų060.4 Ų60.40%031%0.31CS..Hα-helixtrans72.5-169.5174.100000114.6G39 L81 K85 V86 I87G39-G83 CarbonylContact O-C 3.5Å; G39-G83 WeakPolarHBondContact O-CA 3.32Å; L81-G83 PolarHBondContact O-N 2.75Å; G83-K85 VanDerWaalsContact C-N 3.28Å; G83-K85 PolarHBondContact O-N 3.13Å; G83-V86 PolarHBondContact O-N 3.18Å; G83-I87 WeakPolarHBondContact O-CG1 3.39Å; G83-I87 PolarHBondContact O-N 2.82Å
84N98.2Very high95.7Very high4 Ų455.5 Ų55.52%0.02129%0.286CS..Hα-helixtrans-58.3-37.6-169.9-73.1-0.6000113.7C19 N20 I22 A24 V40 F41 N88C19-N84 WeakPolarHBondContact O-CB 3.39Å; C19-N84 PolarHBondContact O-ND2 3.08Å; N20-N84 PolarHBondContact OD1-N 3.42Å; I22-N84 PolarHBondContact O-ND2 2.93Å; A24-N84 HydrophobicContact CB-CB 4.48Å; A24-N84 PolarHBondContact N-ND2 3Å; V40-N84 VanDerWaalsContact CA-OD1 3.25Å; V40-N84 WeakPolarHBondContact CA-OD1 3.32Å; V40-N84 WeakPolarHBondContact CB-OD1 3.19Å; F41-N84 PolarHBondContact N-OD1 2.95Å; F41-N84 PolarHBondContact O-ND2 3.44Å; N84-N88 WeakPolarHBondContact O-CB 3.34Å; N84-N88 PolarHBondContact O-N 3.11Å
85K97.1Very high95.9Very high124 Ų12456.2 Ų56.254%0.53929%0.289SS..Hα-helixtrans-60.1-53.7179.7-178.7177.8174-177.80111C19 G83 Q89C19-K85 HydrophobicContact CB-CB 3.88Å; G83-K85 VanDerWaalsContact C-N 3.28Å; G83-K85 PolarHBondContact O-N 3.13Å; K85-Q89 WeakPolarHBondContact O-CB 3.49Å; K85-Q89 WeakPolarHBondContact O-CG 3.44Å; K85-Q89 PolarHBondContact O-N 3.29Å; K85-Q89 VanDerWaalsContact O-N 3.07Å
86V97.7Very high96.2Very high71 Ų7157.1 Ų57.143%0.4329%0.294SS..Hα-helixtrans-68.2-45.8-176.8176.60000110.3G82 G83 Q89 N90G82-V86 WeakPolarHBondContact O-CG2 3.5Å; G83-V86 PolarHBondContact O-N 3.18Å; V86-Q89 PolarHBondContact O-N 3.33Å; V86-N90 PolarHBondContact O-N 2.94Å; V86-N90 VanDerWaalsContact O-N 3.16Å
87I97.9Very high96.2Very high19 Ų1956.9 Ų56.910%0.09729%0.29CS..Hα-helixtrans-65.3-44.2-177.2-60.5-61.5000111.6Y38 V40 L81 G83 N90 L91 Y121Y38-I87 VanDerWaalsContact O-CD1 3.25Å; Y38-I87 WeakPolarHBondContact O-CD1 3.3Å; Y38-I87 WeakPolarHBondContact O-CG1 3.27Å; V40-I87 HydrophobicContact CG1-CB 3.73Å; V40-I87 HydrophobicContact CG1-CG1 4.02Å; V40-I87 HydrophobicContact CG1-CG2 3.42Å; V40-I87 VanDerWaalsContact CG1-CG2 3.42Å; L81-I87 HydrophobicContact CB-CD1 4.42Å; G83-I87 WeakPolarHBondContact O-CG1 3.39Å; G83-I87 PolarHBondContact O-N 2.82Å; I87-N90 PolarHBondContact O-N 2.85Å; I87-L91 HydrophobicContact CG2-CD1 3.66Å; I87-L91 HydrophobicContact CG2-CG 4.14Å; I87-L91 WeakPolarHBondContact O-CB 3.44Å; I87-L91 PolarHBondContact O-N 3.04Å; I87-Y121 HydrophobicContact CG2-CE1 4.46Å
88N98Very high96.4Very high27 Ų2751.5 Ų51.514%0.14427%0.27CS..Hα-helixtrans-69.8-34.7177.7-72.6-0.4000112.2A24 N84 N90 E92 K120A24-N88 PolarHBondContact O-ND2 3.2Å; A24-N88 PolarHBondContact O-OD1 3.18Å; N84-N88 WeakPolarHBondContact O-CB 3.34Å; N84-N88 PolarHBondContact O-N 3.11Å; N88-N90 PolarHBondContact O-N 3Å; N88-E92 HydrophobicContact CB-CG 4.35Å; N88-E92 WeakPolarHBondContact O-CA 3.19Å; N88-E92 VanDerWaalsContact O-CB 3.25Å; N88-E92 WeakPolarHBondContact O-CB 3.46Å; N88-E92 PolarHBondContact O-N 3.44Å; N88-K120 WeakPolarHBondContact OD1-CE 3.26Å; N88-K120 PolarHBondContact OD1-NZ 3.31Å
89Q97.6Very high96.6Very high123 Ų12352 Ų5258%0.57527%0.272SS*.Hα-helixtrans-59.7-30173.1-80.2174.5-14.200112.8K85 V86 A93K85-Q89 WeakPolarHBondContact O-CB 3.49Å; K85-Q89 WeakPolarHBondContact O-CG 3.44Å; K85-Q89 PolarHBondContact O-N 3.29Å; K85-Q89 VanDerWaalsContact O-N 3.07Å; V86-Q89 PolarHBondContact O-N 3.33Å; Q89-A93 WeakPolarHBondContact O-CB 3.33Å
90N97.2Very high96.7Very high94 Ų9448.8 Ų48.850%0.50326%0.257SS..Hα-helixtrans-86.3-59.9175.5-175.230.9000112.1V86 I87 N88 E92 A93V86-N90 PolarHBondContact O-N 2.94Å; V86-N90 VanDerWaalsContact O-N 3.16Å; I87-N90 PolarHBondContact O-N 2.85Å; N88-N90 PolarHBondContact O-N 3Å; N90-E92 VanDerWaalsContact C-N 3.28Å; N90-E92 PolarHBondContact O-N 3.3Å; N90-A93 PolarHBondContact O-N 3.05Å
91L97.9Very high96.6Very high13 Ų1342.7 Ų42.77%0.06823%0.229CC..Hα-helixtrans-75.8-11.6-171-66.7-175.1000114.2I87 K120 Y121 E124 F126 T127I87-L91 HydrophobicContact CG2-CD1 3.66Å; I87-L91 HydrophobicContact CG2-CG 4.14Å; I87-L91 WeakPolarHBondContact O-CB 3.44Å; I87-L91 PolarHBondContact O-N 3.04Å; L91-K120 HydrophobicContact CB-CG 4.09Å; L91-K120 HydrophobicContact CD1-CG 4.38Å; L91-Y121 HydrophobicContact CD1-CD1 3.46Å; L91-Y121 VanDerWaalsContact CD1-CD1 3.46Å; L91-Y121 HydrophobicContact CD1-CE1 3.66Å; L91-Y121 HydrophobicContact CD1-CG 4.47Å; L91-E124 HydrophobicContact CD2-CG 4.32Å; L91-F126 CarbonylContact O-C 3.55Å; L91-F126 VanDerWaalsContact O-CB 3.31Å; L91-F126 WeakPolarHBondContact O-CB 3.37Å; L91-T127 HydrophobicContact CD2-CG2 3.91Å
92E97.6Very high96.6Very high22 Ų2240.3 Ų40.310%0.10322%0.217CC..THydrogen-bonded Turntrans-124.415.3178.6-48.7-176.516200112.8N88 N90 S94 L95 R101 K120 F126N88-E92 HydrophobicContact CB-CG 4.35Å; N88-E92 WeakPolarHBondContact O-CA 3.19Å; N88-E92 VanDerWaalsContact O-CB 3.25Å; N88-E92 WeakPolarHBondContact O-CB 3.46Å; N88-E92 PolarHBondContact O-N 3.44Å; N90-E92 VanDerWaalsContact C-N 3.28Å; N90-E92 PolarHBondContact O-N 3.3Å; E92-S94 PolarHBondContact O-N 2.84Å; E92-S94 VanDerWaalsContact O-N 3.1Å; E92-L95 HydrophobicContact CB-CB 4.05Å; E92-L95 HydrophobicContact CB-CD2 4.38Å; E92-L95 WeakPolarHBondContact O-CB 3.33Å; E92-L95 PolarHBondContact O-N 3.44Å; E92-L95 VanDerWaalsContact O-N 3.08Å; E92-R101 IonicContact OE1-CZ 3.38Å; E92-R101 IonicContact OE1-NH1 2.83Å; E92-R101 PolarHBondContact OE1-NH1 3.4Å; E92-R101 IonicContact OE2-CZ 3.84Å; E92-R101 IonicContact OE2-NH1 3.36Å; E92-R101 PolarHBondContact OE2-NH1 2.95Å; E92-R101 IonicContact OE2-NH2 3.65Å; E92-R101 PolarHBondContact OE2-NH2 2.74Å; E92-K120 HydrophobicContact CG-CD 4.18Å; E92-K120 WeakPolarHBondContact OE1-CD 3.48Å; E92-K120 WeakPolarHBondContact OE1-CE 3.25Å; E92-K120 IonicContact OE1-NZ 3.16Å; E92-K120 PolarHBondContact OE1-NZ 3.21Å; E92-F126 CarbonylContact C-O 3.31Å; E92-F126 VanDerWaalsContact C-O 3.31Å
93A97.6Very high96.6Very high50 Ų5041.4 Ų41.441%0.41321%0.211SC..THydrogen-bonded Turntrans-52.6-33.8-178.400000113.6Q89 N90 F126 R128Q89-A93 WeakPolarHBondContact O-CB 3.33Å; N90-A93 PolarHBondContact O-N 3.05Å; A93-F126 PolarHBondContact N-O 3.39Å; A93-R128 HydrophobicContact CB-CB 4.12Å
94S96.9Very high96.5Very high28 Ų2844.1 Ų44.120%0.19623%0.229CC..THydrogen-bonded Turntrans-120.125.4-178.5-50.40000111.9E92 P96 F126 T127 R128 Q136E92-S94 PolarHBondContact O-N 2.84Å; E92-S94 VanDerWaalsContact O-N 3.1Å; S94-P96 WeakPolarHBondContact O-CD 3.26Å; S94-F126 PolarHBondContact N-O 3.11Å; S94-T127 VanDerWaalsContact CB-O 3.26Å; S94-T127 WeakPolarHBondContact CB-O 3.48Å; S94-T127 PolarHBondContact OG-O 3.37Å; S94-R128 WeakPolarHBondContact OG-CA 3.49Å; S94-R128 PolarHBondContact OG-O 3.15Å; S94-Q136 PolarHBondContact O-NE2 3.36Å
95L96.8Very high96.2Very high29 Ų2945.4 Ų45.415%0.15224%0.243CC..  trans-68.7116.4177.1177.264.5000109.8E92 F99 R101 F116 F126E92-L95 HydrophobicContact CB-CB 4.05Å; E92-L95 HydrophobicContact CB-CD2 4.38Å; E92-L95 WeakPolarHBondContact O-CB 3.33Å; E92-L95 PolarHBondContact O-N 3.44Å; E92-L95 VanDerWaalsContact O-N 3.08Å; L95-F99 HydrophobicContact CD1-CB 3.82Å; L95-F99 HydrophobicContact CD1-CD1 3.92Å; L95-F99 HydrophobicContact CD1-CG 3.93Å; L95-R101 HydrophobicContact CD2-CG 4.34Å; L95-F116 HydrophobicContact CD1-CE2 4.46Å; L95-F116 HydrophobicContact CD2-CE2 4.46Å; L95-F126 HydrophobicContact CB-CB 3.89Å; L95-F126 HydrophobicContact CB-CD1 4.46Å; L95-F126 HydrophobicContact CB-CG 4.13Å; L95-F126 HydrophobicContact CD1-CB 4.34Å; L95-F126 HydrophobicContact CD1-CD1 3.47Å; L95-F126 VanDerWaalsContact CD1-CD1 3.47Å; L95-F126 HydrophobicContact CD1-CD2 3.85Å; L95-F126 HydrophobicContact CD1-CE1 3.58Å; L95-F126 HydrophobicContact CD1-CE2 3.94Å; L95-F126 HydrophobicContact CD1-CG 3.62Å; L95-F126 HydrophobicContact CD1-CZ 3.82Å; L95-F126 HydrophobicContact CG-CG 4.43Å
96P96.1Very high95.9Very high20 Ų2045 Ų4513%0.1325%0.251CS..  trans-69.9143.9-175-20.334.2000112.4S94 Y98 F99 F139S94-P96 WeakPolarHBondContact O-CD 3.26Å; P96-Y98 HydrophobicContact CB-CD1 3.79Å; P96-Y98 HydrophobicContact CB-CD2 4.22Å; P96-Y98 HydrophobicContact CB-CE1 3.31Å; P96-Y98 HydrophobicContact CB-CE2 3.79Å; P96-Y98 HydrophobicContact CB-CG 4.21Å; P96-Y98 HydrophobicContact CG-CE1 4.2Å; P96-Y98 HydrophobicContact CG-CE2 4.23Å; P96-Y98 PolarHBondContact O-N 3.21Å; P96-Y98 VanDerWaalsContact O-N 3.16Å; P96-F99 HydrophobicContact CB-CB 4.37Å; P96-F99 WeakPolarHBondContact O-CB 3.4Å; P96-F99 PolarHBondContact O-N 2.89Å; P96-F139 HydrophobicContact CG-CE2 4.28Å
97V94.7Very high95.4Very high54 Ų5449.1 Ų49.133%0.32727%0.265SS..THydrogen-bonded Turntrans-55.9-34.8179174.80000112.7F99 Y244 P260 L263 S264V97-F99 VanDerWaalsContact C-N 3.35Å; V97-Y244 HydrophobicContact CB-CE2 4.43Å; V97-Y244 HydrophobicContact CG1-CE2 4.28Å; V97-P260 HydrophobicContact CB-CB 4.42Å; V97-P260 HydrophobicContact CG1-CB 3.7Å; V97-P260 WeakPolarHBondContact CG1-O 3.35Å; V97-P260 HydrophobicContact CG2-CB 3.81Å; V97-P260 HydrophobicContact CG2-CG 4.43Å; V97-L263 HydrophobicContact CG1-CB 4.46Å; V97-S264 VanDerWaalsContact O-CB 3.29Å; V97-S264 WeakPolarHBondContact O-CB 3.48Å; V97-S264 PolarHBondContact O-OG 2.99Å
98Y95.7Very high95.1Very high22 Ų2248.4 Ų48.49%0.08626%0.262CS..THydrogen-bonded Turntrans-77.6-18.517860.2-99.9000113P96 R100 F139 A140 R240 L241 Y244P96-Y98 HydrophobicContact CB-CD1 3.79Å; P96-Y98 HydrophobicContact CB-CD2 4.22Å; P96-Y98 HydrophobicContact CB-CE1 3.31Å; P96-Y98 HydrophobicContact CB-CE2 3.79Å; P96-Y98 HydrophobicContact CB-CG 4.21Å; P96-Y98 HydrophobicContact CG-CE1 4.2Å; P96-Y98 HydrophobicContact CG-CE2 4.23Å; P96-Y98 PolarHBondContact O-N 3.21Å; P96-Y98 VanDerWaalsContact O-N 3.16Å; Y98-R100 PolarHBondContact O-N 2.72Å; Y98-F139 HydrophobicContact CE2-CD2 4.33Å; Y98-A140 WeakPolarHBondContact OH-CB 3.36Å; Y98-R240 PolarHBondContact O-NE 3.42Å; Y98-R240 PolarHBondContact O-NH2 3.16Å; Y98-L241 HydrophobicContact CD1-CD1 3.91Å; Y98-L241 HydrophobicContact CD2-CB 3.92Å; Y98-L241 HydrophobicContact CE1-CB 4.48Å; Y98-L241 HydrophobicContact CE1-CD1 3.41Å; Y98-L241 VanDerWaalsContact CE1-CD1 3.41Å; Y98-L241 HydrophobicContact CE2-CB 3.86Å; Y98-L241 HydrophobicContact CE2-CD1 4.16Å; Y98-L241 HydrophobicContact CG-CB 4.3Å; Y98-L241 HydrophobicContact CG-CD1 4.47Å; Y98-Y244 AromaticContact CD1-CD1 3.97Å; Y98-Y244 HydrophobicContact CD1-CD1 3.97Å; Y98-Y244 HydrophobicContact CD1-CE1 4.47Å; Y98-Y244 HydrophobicContact CD1-CG 4.2Å
99F96.8Very high94.7Very high9 Ų948.3 Ų48.34%0.03926%0.263CS..SBendtrans-68.8130-179.9-163.8-75.8000109.9L95 P96 V97 R101 F116 F126 F139 N237L95-F99 HydrophobicContact CD1-CB 3.82Å; L95-F99 HydrophobicContact CD1-CD1 3.92Å; L95-F99 HydrophobicContact CD1-CG 3.93Å; P96-F99 HydrophobicContact CB-CB 4.37Å; P96-F99 WeakPolarHBondContact O-CB 3.4Å; P96-F99 PolarHBondContact O-N 2.89Å; V97-F99 VanDerWaalsContact C-N 3.35Å; F99-R101 PolarHBondContact O-N 2.72Å; F99-F116 HydrophobicContact CD1-CD2 4.4Å; F99-F116 AromaticContact CE1-CD2 3.91Å; F99-F116 HydrophobicContact CE1-CD2 3.91Å; F99-F116 HydrophobicContact CE1-CE2 4.42Å; F99-F126 HydrophobicContact CD1-CE1 4.29Å; F99-F126 HydrophobicContact CD1-CZ 4.07Å; F99-F126 AromaticContact CD2-CE1 3.85Å; F99-F126 HydrophobicContact CD2-CE1 3.85Å; F99-F126 HydrophobicContact CD2-CZ 4.28Å; F99-F126 HydrophobicContact CE1-CE1 4.26Å; F99-F126 AromaticContact CE1-CZ 3.72Å; F99-F126 HydrophobicContact CE1-CZ 3.72Å; F99-F126 AromaticContact CE2-CE1 3.77Å; F99-F126 HydrophobicContact CE2-CE1 3.77Å; F99-F126 AromaticContact CE2-CZ 3.91Å; F99-F126 HydrophobicContact CE2-CZ 3.91Å; F99-F126 HydrophobicContact CG-CE1 4.11Å; F99-F126 HydrophobicContact CG-CZ 4.35Å; F99-F126 AromaticContact CZ-CE1 3.99Å; F99-F126 HydrophobicContact CZ-CE1 3.99Å; F99-F126 AromaticContact CZ-CZ 3.62Å; F99-F126 HydrophobicContact CZ-CZ 3.62Å; F99-F139 HydrophobicContact CD2-CD1 4.41Å; F99-F139 AromaticContact CD2-CD2 3.76Å; F99-F139 HydrophobicContact CD2-CD2 3.76Å; F99-F139 HydrophobicContact CD2-CE1 4.23Å; F99-F139 AromaticContact CD2-CE2 3.58Å; F99-F139 HydrophobicContact CD2-CE2 3.58Å; F99-F139 HydrophobicContact CD2-CG 4.19Å; F99-F139 AromaticContact CD2-CZ 3.82Å; F99-F139 HydrophobicContact CD2-CZ 3.82Å; F99-F139 AromaticContact CE2-CD1 3.8Å; F99-F139 HydrophobicContact CE2-CD1 3.8Å; F99-F139 AromaticContact CE2-CD2 3.98Å; F99-F139 HydrophobicContact CE2-CD2 3.98Å; F99-F139 AromaticContact CE2-CE1 3.71Å; F99-F139 HydrophobicContact CE2-CE1 3.71Å; F99-F139 AromaticContact CE2-CE2 3.92Å; F99-F139 HydrophobicContact CE2-CE2 3.92Å; F99-F139 AromaticContact CE2-CG 3.93Å; F99-F139 HydrophobicContact CE2-CG 3.93Å; F99-F139 AromaticContact CE2-CZ 3.77Å; F99-F139 HydrophobicContact CE2-CZ 3.77Å; F99-N237 WeakPolarHBondContact CA-OD1 3.34Å; F99-N237 HydrophobicContact CD2-CB 4.11Å; F99-N237 HydrophobicContact CE2-CB 4.22Å; F99-N237 VanDerWaalsContact CE2-ND2 3.34Å; F99-N237 WeakPolarHBondContact CE2-ND2 3.44Å; F99-N237 VanDerWaalsContact CZ-ND2 3.33Å; F99-N237 WeakPolarHBondContact CZ-ND2 3.45Å
100R94.7Very high94.5Very high40 Ų4046.8 Ų46.815%0.15126%0.262CS..  trans-83114.3-176.8-173.271.2-174.9-142.2-6.6111.2Y98 W103 Y236 N237 D270Y98-R100 PolarHBondContact O-N 2.72Å; R100-W103 HydrophobicContact CG-CZ3 4.46Å; R100-W103 VanDerWaalsContact NH2-CZ3 3.31Å; R100-Y236 HydrophobicContact CB-CD1 4.33Å; R100-Y236 HydrophobicContact CB-CE1 3.44Å; R100-Y236 VanDerWaalsContact CB-CE1 3.44Å; R100-Y236 HydrophobicContact CG-CE1 3.73Å; R100-N237 PolarHBondContact N-OD1 2.91Å; R100-D270 IonicContact CZ-OD2 2.97Å; R100-D270 VanDerWaalsContact CZ-OD2 3.25Å; R100-D270 IonicContact NH1-OD2 2.74Å; R100-D270 PolarHBondContact NH1-OD2 2.97Å; R100-D270 VanDerWaalsContact NH1-OD2 3.16Å; R100-D270 IonicContact NH2-OD1 3.97Å; R100-D270 IonicContact NH2-OD2 2.85Å; R100-D270 PolarHBondContact NH2-OD2 3.46Å
101R93.9Very high94.2Very high64 Ų6443.5 Ų43.524%0.24224%0.243CC..PPolyproline II helixtrans-69.3153.2162.9-80.7177.5-154.4-86.711.7111.9E92 L95 F99 F116E92-R101 IonicContact OE1-CZ 3.38Å; E92-R101 IonicContact OE1-NH1 2.83Å; E92-R101 PolarHBondContact OE1-NH1 3.4Å; E92-R101 IonicContact OE2-CZ 3.84Å; E92-R101 IonicContact OE2-NH1 3.36Å; E92-R101 PolarHBondContact OE2-NH1 2.95Å; E92-R101 IonicContact OE2-NH2 3.65Å; E92-R101 PolarHBondContact OE2-NH2 2.74Å; L95-R101 HydrophobicContact CD2-CG 4.34Å; F99-R101 PolarHBondContact O-N 2.72Å; R101-F116 HydrophobicContact CG-CE2 3.76Å; R101-F116 HydrophobicContact CG-CZ 3.94Å
102P95.6Very high94Very high2 Ų243.1 Ų43.11%0.01324%0.241CC..PPolyproline II helixtrans-59.7143.2161.528.8-34.3000109.6C26 L112 R113 F116C26-P102 VanDerWaalsContact CA-O 3.27Å; C26-P102 WeakPolarHBondContact CA-O 3.33Å; C26-P102 HydrophobicContact CB-CB 4.22Å; C26-P102 HydrophobicContact CB-CG 4.06Å; C26-P102 VanDerWaalsContact CB-O 3.25Å; C26-P102 WeakPolarHBondContact CB-O 3.47Å; P102-L112 HydrophobicContact CB-CD2 3.89Å; P102-R113 HydrophobicContact CB-CB 4.18Å; P102-R113 HydrophobicContact CB-CG 4.15Å; P102-R113 HydrophobicContact CG-CG 4.43Å; P102-F116 HydrophobicContact CG-CB 4.25Å; P102-F116 HydrophobicContact CG-CD1 3.9Å; P102-F116 HydrophobicContact CG-CG 4.06Å
103W93.3Very high93.9Very high54 Ų5442.3 Ų42.321%0.20524%0.237CC..PPolyproline II helixtrans-98.1162.6174.355.197.7000110.9R100 C108 L112 R113R100-W103 HydrophobicContact CG-CZ3 4.46Å; R100-W103 VanDerWaalsContact NH2-CZ3 3.31Å; W103-C108 HydrophobicContact CD2-CB 3.75Å; W103-C108 VanDerWaalsContact CE2-CA 3.44Å; W103-C108 HydrophobicContact CE3-CB 4.39Å; W103-C108 HydrophobicContact CG-CB 3.93Å; W103-C108 HydrophobicContact CZ2-CB 4.15Å; W103-C108 WeakPolarHBondContact O-CB 3.39Å; W103-L112 HydrophobicContact CH2-CD1 4.39Å; W103-L112 HydrophobicContact CZ3-CD1 3.96Å; W103-L112 HydrophobicContact CZ3-CD2 4.39Å; W103-R113 PolarHBondContact O-NH2 2.6Å
104P95Very high93.8Very high57 Ų5742.4 Ų42.437%0.3723%0.229SC..SBendtrans-62.8150174.3-24.236.2000113C26 H28C26-P104 WeakPolarHBondContact O-CD 3.46Å; C26-P104 WeakPolarHBondContact O-CG 3.16Å; H28-P104 HydrophobicContact CB-CB 3.89Å; H28-P104 HydrophobicContact CB-CG 4.05Å; H28-P104 WeakPolarHBondContact ND1-CB 3.37Å
105G92.6Very high93.7Very high32 Ų3241.4 Ų41.433%0.3322%0.222SC..SBendtrans94.5168.6174.300000115L45 E107 C108 R113L45-G105 VanDerWaalsContact CD1-O 3.3Å; L45-G105 WeakPolarHBondContact CD1-O 3.42Å; G105-E107 VanDerWaalsContact C-N 3.29Å; G105-E107 PolarHBondContact O-N 3.28Å; G105-C108 PolarHBondContact O-N 2.78Å; G105-R113 PolarHBondContact O-NH2 3.34Å
106V90.7Very high93.7Very high115 Ų11540.1 Ų40.170%0.69722%0.216SC*.THydrogen-bonded Turntrans-73.5-19.5-174.2-640000113.4L45 C108L45-V106 HydrophobicContact CD1-CG1 4.19Å; L45-V106 HydrophobicContact CD2-CG1 4.3Å; V106-C108 PolarHBondContact O-N 3.49Å
107E87.5Confident93.7Very high157 Ų15739.2 Ų39.273%0.73421%0.21SC*.THydrogen-bonded Turntrans-68.8-19.1177.5-55.8-53.8142.900112.9G105 P109G105-E107 VanDerWaalsContact C-N 3.29Å; G105-E107 PolarHBondContact O-N 3.28Å; E107-P109 WeakPolarHBondContact O-CD 3.21Å
108C91.5Very high93.8Very high4 Ų440 Ų403%0.02721%0.208CC..SBendtrans-72.4121.6173.7-179.90000109.9W103 G105 V106 V110W103-C108 HydrophobicContact CD2-CB 3.75Å; W103-C108 VanDerWaalsContact CE2-CA 3.44Å; W103-C108 HydrophobicContact CE3-CB 4.39Å; W103-C108 HydrophobicContact CG-CB 3.93Å; W103-C108 HydrophobicContact CZ2-CB 4.15Å; W103-C108 WeakPolarHBondContact O-CB 3.39Å; G105-C108 PolarHBondContact O-N 2.78Å; V106-C108 PolarHBondContact O-N 3.49Å; C108-V110 PolarHBondContact O-N 3.32Å
109P90.2Very high93.9Very high26 Ų2639.2 Ų39.217%0.16921%0.206CC..  trans-56.2133.7-179.7-24.833.2000112.4E107 F111 L112 R113 F196E107-P109 WeakPolarHBondContact O-CD 3.21Å; P109-F111 VanDerWaalsContact C-N 3.32Å; P109-F111 HydrophobicContact CB-CD1 3.79Å; P109-F111 HydrophobicContact CB-CE1 3.46Å; P109-F111 VanDerWaalsContact CB-CE1 3.46Å; P109-F111 HydrophobicContact CB-CZ 4.06Å; P109-F111 HydrophobicContact CG-CE1 4.32Å; P109-F111 PolarHBondContact O-N 2.77Å; P109-L112 HydrophobicContact CB-CB 4.23Å; P109-L112 WeakPolarHBondContact O-CB 3.41Å; P109-L112 PolarHBondContact O-N 3Å; P109-L112 VanDerWaalsContact O-N 3.08Å; P109-R113 PolarHBondContact O-N 3.31Å; P109-F196 HydrophobicContact CG-CB 3.91Å
110V91.7Very high93.9Very high91 Ų9138.8 Ų38.855%0.55220%0.204SC*.Hα-helixtrans-57.5-45.4-178.1177.90000111.2C108 L112 R113 E114C108-V110 PolarHBondContact O-N 3.32Å; V110-L112 PolarHBondContact O-N 3.13Å; V110-R113 WeakPolarHBondContact O-CB 3.44Å; V110-R113 PolarHBondContact O-N 3Å; V110-E114 HydrophobicContact CG1-CG 4.31Å; V110-E114 PolarHBondContact O-N 2.84Å
111F92Very high94.1Very high25 Ų2537.3 Ų37.311%0.1120%0.199CC..Hα-helixtrans-63.4-28.6179.975.5-93.6000113.2P109 A115 F196 H207 I232 I233P109-F111 VanDerWaalsContact C-N 3.32Å; P109-F111 HydrophobicContact CB-CD1 3.79Å; P109-F111 HydrophobicContact CB-CE1 3.46Å; P109-F111 VanDerWaalsContact CB-CE1 3.46Å; P109-F111 HydrophobicContact CB-CZ 4.06Å; P109-F111 HydrophobicContact CG-CE1 4.32Å; P109-F111 PolarHBondContact O-N 2.77Å; F111-A115 VanDerWaalsContact O-CB 3.27Å; F111-A115 WeakPolarHBondContact O-CB 3.32Å; F111-A115 PolarHBondContact O-N 3.12Å; F111-F196 AromaticContact CE2-CD1 3.9Å; F111-F196 HydrophobicContact CE2-CD1 3.9Å; F111-F196 AromaticContact CE2-CE1 3.8Å; F111-F196 HydrophobicContact CE2-CE1 3.8Å; F111-F196 HydrophobicContact CE2-CG 4.36Å; F111-F196 HydrophobicContact CE2-CZ 4.22Å; F111-F196 HydrophobicContact CZ-CB 4.17Å; F111-F196 AromaticContact CZ-CD1 3.43Å; F111-F196 HydrophobicContact CZ-CD1 3.43Å; F111-F196 VanDerWaalsContact CZ-CD1 3.43Å; F111-F196 HydrophobicContact CZ-CD2 4.5Å; F111-F196 AromaticContact CZ-CE1 3.84Å; F111-F196 HydrophobicContact CZ-CE1 3.84Å; F111-F196 AromaticContact CZ-CG 3.78Å; F111-F196 HydrophobicContact CZ-CG 3.78Å; F111-H207 AromaticContact CG-CD2 3.97Å; F111-I232 HydrophobicContact CE2-CG2 4.26Å; F111-I233 HydrophobicContact CD2-CD1 3.84Å; F111-I233 HydrophobicContact CD2-CG1 4.47Å; F111-I233 HydrophobicContact CE2-CD1 4.02Å; F111-I233 HydrophobicContact CE2-CG1 4.21Å
112L94Very high94.2Very high4 Ų438.4 Ų38.42%0.02121%0.209CC..Hα-helixtrans-69.5-42.8174.5-176.9153000110.4P102 W103 P109 V110 F116 F196 I233P102-L112 HydrophobicContact CB-CD2 3.89Å; W103-L112 HydrophobicContact CH2-CD1 4.39Å; W103-L112 HydrophobicContact CZ3-CD1 3.96Å; W103-L112 HydrophobicContact CZ3-CD2 4.39Å; P109-L112 HydrophobicContact CB-CB 4.23Å; P109-L112 WeakPolarHBondContact O-CB 3.41Å; P109-L112 PolarHBondContact O-N 3Å; P109-L112 VanDerWaalsContact O-N 3.08Å; V110-L112 PolarHBondContact O-N 3.13Å; L112-F116 WeakPolarHBondContact O-CB 3.22Å; L112-F116 PolarHBondContact O-N 3.28Å; L112-F196 HydrophobicContact CD1-CD2 3.56Å; L112-F196 HydrophobicContact CD1-CE2 3.59Å; L112-I233 HydrophobicContact CB-CD1 4.41Å
113R95.7Very high94.2Very high6 Ų641.4 Ų41.42%0.02322%0.222CC..Hα-helixtrans-61.8-47.7175-168.9177.4-58.5-75.2-0.2111C46 S49 P102 W103 G105 P109 V110 F116 I117C46-R113 PolarHBondContact SG-NH1 3.36Å; S49-R113 VanDerWaalsContact OG-CD 3.28Å; S49-R113 WeakPolarHBondContact OG-CD 3.36Å; P102-R113 HydrophobicContact CB-CB 4.18Å; P102-R113 HydrophobicContact CB-CG 4.15Å; P102-R113 HydrophobicContact CG-CG 4.43Å; W103-R113 PolarHBondContact O-NH2 2.6Å; G105-R113 PolarHBondContact O-NH2 3.34Å; P109-R113 PolarHBondContact O-N 3.31Å; V110-R113 WeakPolarHBondContact O-CB 3.44Å; V110-R113 PolarHBondContact O-N 3Å; R113-F116 PolarHBondContact O-N 2.95Å; R113-I117 WeakPolarHBondContact O-CG2 3.4Å; R113-I117 PolarHBondContact O-N 3.36Å
114E94.9Very high94.4Very high52 Ų5243 Ų4324%0.24323%0.232CC..Hα-helixtrans-62.4-43.6178.3-73.1-179.4-175.900113.2V110 F116 I117 K118V110-E114 HydrophobicContact CG1-CG 4.31Å; V110-E114 PolarHBondContact O-N 2.84Å; E114-F116 VanDerWaalsContact C-N 3.34Å; E114-I117 WeakPolarHBondContact O-CG1 3.44Å; E114-I117 PolarHBondContact O-N 2.89Å; E114-K118 VanDerWaalsContact O-CG 3.31Å; E114-K118 WeakPolarHBondContact O-CG 3.32Å; E114-K118 PolarHBondContact O-N 3.49Å
115A94.2Very high94.5Very high6 Ų640.4 Ų40.45%0.0522%0.215CC..Hα-helixtrans-65.6-39.6177.200000111.7F111 K118 S119 I233F111-A115 VanDerWaalsContact O-CB 3.27Å; F111-A115 WeakPolarHBondContact O-CB 3.32Å; F111-A115 PolarHBondContact O-N 3.12Å; A115-K118 PolarHBondContact O-N 3.44Å; A115-S119 WeakPolarHBondContact O-CB 3.31Å; A115-S119 PolarHBondContact O-N 3.09Å; A115-S119 PolarHBondContact O-OG 3.21Å; A115-I233 HydrophobicContact CB-CD1 3.19Å; A115-I233 HydrophobicContact CB-CG1 4.47Å
116F97.1Very high94.8Very high3 Ų338.9 Ų38.91%0.01320%0.2CC..Hα-helixtrans-60.2-48175.6178.2-93.2000111.6D25 L95 F99 R101 P102 L112 R113 E114 K118 S119 K120 F126D25-F116 HydrophobicContact CB-CD1 4.27Å; D25-F116 HydrophobicContact CB-CE1 4.03Å; L95-F116 HydrophobicContact CD1-CE2 4.46Å; L95-F116 HydrophobicContact CD2-CE2 4.46Å; F99-F116 HydrophobicContact CD1-CD2 4.4Å; F99-F116 AromaticContact CE1-CD2 3.91Å; F99-F116 HydrophobicContact CE1-CD2 3.91Å; F99-F116 HydrophobicContact CE1-CE2 4.42Å; R101-F116 HydrophobicContact CG-CE2 3.76Å; R101-F116 HydrophobicContact CG-CZ 3.94Å; P102-F116 HydrophobicContact CG-CB 4.25Å; P102-F116 HydrophobicContact CG-CD1 3.9Å; P102-F116 HydrophobicContact CG-CG 4.06Å; L112-F116 WeakPolarHBondContact O-CB 3.22Å; L112-F116 PolarHBondContact O-N 3.28Å; R113-F116 PolarHBondContact O-N 2.95Å; E114-F116 VanDerWaalsContact C-N 3.34Å; F116-K118 VanDerWaalsContact C-N 3.33Å; F116-K118 PolarHBondContact O-N 2.97Å; F116-S119 WeakPolarHBondContact O-CB 3.19Å; F116-S119 PolarHBondContact O-N 2.66Å; F116-K120 HydrophobicContact CE1-CB 4.39Å; F116-K120 HydrophobicContact CE1-CD 3.79Å; F116-K120 HydrophobicContact CZ-CD 4.11Å; F116-K120 WeakPolarHBondContact O-CB 3.34Å; F116-K120 PolarHBondContact O-N 2.88Å; F116-F126 HydrophobicContact CD2-CE2 4.38Å; F116-F126 AromaticContact CE2-CE2 4Å; F116-F126 HydrophobicContact CE2-CE2 4Å; F116-F126 HydrophobicContact CE2-CZ 4.49Å
117I97.1Very high95.2Very high0 Ų033.6 Ų33.60%017%0.168CC..Hα-helixtrans-66.3-35.9-179.864.8172.5000111.5D25 S49 V52 L53 R113 E114 K120 Y121D25-I117 WeakPolarHBondContact OD2-CG2 3.31Å; S49-I117 VanDerWaalsContact C-CD1 3.45Å; S49-I117 WeakPolarHBondContact O-CD1 3.27Å; V52-I117 HydrophobicContact CG2-CD1 4.14Å; L53-I117 HydrophobicContact CD1-CB 4.3Å; L53-I117 HydrophobicContact CD1-CD1 4.05Å; L53-I117 HydrophobicContact CD1-CG1 4.35Å; L53-I117 HydrophobicContact CD2-CD1 4.15Å; L53-I117 HydrophobicContact CD2-CG1 4.21Å; L53-I117 HydrophobicContact CG-CD1 4.01Å; L53-I117 HydrophobicContact CG-CG1 4.5Å; R113-I117 WeakPolarHBondContact O-CG2 3.4Å; R113-I117 PolarHBondContact O-N 3.36Å; E114-I117 WeakPolarHBondContact O-CG1 3.44Å; E114-I117 PolarHBondContact O-N 2.89Å; I117-K120 PolarHBondContact O-N 3.07Å; I117-Y121 HydrophobicContact CB-CD2 3.91Å; I117-Y121 HydrophobicContact CB-CE2 4.16Å; I117-Y121 HydrophobicContact CG2-CD2 4.47Å; I117-Y121 HydrophobicContact CG2-CE2 4.22Å; I117-Y121 WeakPolarHBondContact O-CB 3.42Å; I117-Y121 WeakPolarHBondContact O-CD2 3.36Å; I117-Y121 PolarHBondContact O-N 2.9Å
118K96.5Very high95.6Very high70 Ų7036.2 Ų36.230%0.30417%0.171SC..Iπ-helixtrans-64.5-43173-70.1175.4179.6174.40111.3L53 E114 A115 F116 K120 I122 H123L53-K118 HydrophobicContact CD2-CG 4.06Å; E114-K118 VanDerWaalsContact O-CG 3.31Å; E114-K118 WeakPolarHBondContact O-CG 3.32Å; E114-K118 PolarHBondContact O-N 3.49Å; A115-K118 PolarHBondContact O-N 3.44Å; F116-K118 VanDerWaalsContact C-N 3.33Å; F116-K118 PolarHBondContact O-N 2.97Å; K118-K120 VanDerWaalsContact C-N 3.34Å; K118-K120 PolarHBondContact O-N 3.43Å; K118-I122 HydrophobicContact CG-CD1 4.13Å; K118-I122 WeakPolarHBondContact O-CA 3.31Å; K118-I122 WeakPolarHBondContact O-CB 3.09Å; K118-I122 PolarHBondContact O-N 2.89Å; K118-H123 PolarHBondContact O-N 2.91Å
119S97.1Very high95.8Very high6 Ų639.6 Ų39.64%0.04219%0.189CC..Iπ-helixtrans-60.2-43.3176.6-53.20000111.6A115 F116 E124 E125A115-S119 WeakPolarHBondContact O-CB 3.31Å; A115-S119 PolarHBondContact O-N 3.09Å; A115-S119 PolarHBondContact O-OG 3.21Å; F116-S119 WeakPolarHBondContact O-CB 3.19Å; F116-S119 PolarHBondContact O-N 2.66Å; S119-E124 PolarHBondContact O-N 3.41Å; S119-E124 VanDerWaalsContact O-N 3.1Å; S119-E125 WeakPolarHBondContact CB-OE2 3.39Å; S119-E125 PolarHBondContact O-N 2.86Å; S119-E125 PolarHBondContact OG-OE2 3.36Å
120K97.7Very high96.1Very high0 Ų038.4 Ų38.40%018%0.181CC..Iπ-helixtrans-74.4-50-178.3-179.8174.6171.6179.40113.4A24 D25 N88 L91 E92 F116 I117 K118 F126A24-K120 PolarHBondContact O-NZ 3.44Å; D25-K120 IonicContact OD1-NZ 2.79Å; D25-K120 PolarHBondContact OD1-NZ 2.91Å; N88-K120 WeakPolarHBondContact OD1-CE 3.26Å; N88-K120 PolarHBondContact OD1-NZ 3.31Å; L91-K120 HydrophobicContact CB-CG 4.09Å; L91-K120 HydrophobicContact CD1-CG 4.38Å; E92-K120 HydrophobicContact CG-CD 4.18Å; E92-K120 WeakPolarHBondContact OE1-CD 3.48Å; E92-K120 WeakPolarHBondContact OE1-CE 3.25Å; E92-K120 IonicContact OE1-NZ 3.16Å; E92-K120 PolarHBondContact OE1-NZ 3.21Å; F116-K120 HydrophobicContact CE1-CB 4.39Å; F116-K120 HydrophobicContact CE1-CD 3.79Å; F116-K120 HydrophobicContact CZ-CD 4.11Å; F116-K120 WeakPolarHBondContact O-CB 3.34Å; F116-K120 PolarHBondContact O-N 2.88Å; I117-K120 PolarHBondContact O-N 3.07Å; K118-K120 VanDerWaalsContact C-N 3.34Å; K118-K120 PolarHBondContact O-N 3.43Å; K120-F126 HydrophobicContact CB-CD2 4.16Å; K120-F126 HydrophobicContact CB-CE2 4.08Å
121Y97.4Very high96.3Very high9 Ų939.4 Ų39.44%0.03518%0.182CC..Iπ-helixtrans-102.5-25.7-166.7-61.4-76.4000114.7D25 Y38 V40 H50 L53 I87 L91 I117D25-Y121 WeakPolarHBondContact OD1-CE2 3.32Å; D25-Y121 PolarHBondContact OD1-OH 3.34Å; Y38-Y121 AromaticContact CD1-CD1 3.65Å; Y38-Y121 HydrophobicContact CD1-CD1 3.65Å; Y38-Y121 HydrophobicContact CD1-CE1 4.48Å; Y38-Y121 HydrophobicContact CD1-CG 4.24Å; Y38-Y121 HydrophobicContact CD2-CD1 4.11Å; Y38-Y121 HydrophobicContact CD2-CG 4.35Å; Y38-Y121 HydrophobicContact CE1-CD1 4.15Å; Y38-Y121 HydrophobicContact CE1-CG 4.3Å; Y38-Y121 HydrophobicContact CE2-CG 4.43Å; Y38-Y121 AromaticContact CG-CD1 3.63Å; Y38-Y121 HydrophobicContact CG-CD1 3.63Å; Y38-Y121 HydrophobicContact CG-CE1 4.09Å; Y38-Y121 HydrophobicContact CG-CG 4.26Å; V40-Y121 HydrophobicContact CG1-CE1 4.24Å; V40-Y121 HydrophobicContact CG2-CE1 4.39Å; H50-Y121 AromaticContact CE1-CD2 3.89Å; H50-Y121 AromaticContact CE1-CE2 3.36Å; H50-Y121 WeakPolarHBondContact CE1-CE2 3.3Å; H50-Y121 AromaticContact CE1-CZ 3.64Å; H50-Y121 AromaticContact NE2-CE2 3.44Å; H50-Y121 WeakPolarHBondContact NE2-CE2 3.4Å; L53-Y121 HydrophobicContact CD1-CD2 4.1Å; L53-Y121 HydrophobicContact CD1-CG 4.41Å; I87-Y121 HydrophobicContact CG2-CE1 4.46Å; L91-Y121 HydrophobicContact CD1-CD1 3.46Å; L91-Y121 VanDerWaalsContact CD1-CD1 3.46Å; L91-Y121 HydrophobicContact CD1-CE1 3.66Å; L91-Y121 HydrophobicContact CD1-CG 4.47Å; I117-Y121 HydrophobicContact CB-CD2 3.91Å; I117-Y121 HydrophobicContact CB-CE2 4.16Å; I117-Y121 HydrophobicContact CG2-CD2 4.47Å; I117-Y121 HydrophobicContact CG2-CE2 4.22Å; I117-Y121 WeakPolarHBondContact O-CB 3.42Å; I117-Y121 WeakPolarHBondContact O-CD2 3.36Å; I117-Y121 PolarHBondContact O-N 2.9Å
122I95.8Very high96.6Very high88 Ų8842.8 Ų42.845%0.45122%0.215SC..Iπ-helixtrans-101.2-49.7179.9-59.6-174.6000110.6L53 K118L53-I122 HydrophobicContact CD2-CD1 3.62Å; L53-I122 HydrophobicContact CD2-CG1 3.97Å; K118-I122 HydrophobicContact CG-CD1 4.13Å; K118-I122 WeakPolarHBondContact O-CA 3.31Å; K118-I122 WeakPolarHBondContact O-CB 3.09Å; K118-I122 PolarHBondContact O-N 2.89Å
123H96.1Very high96.7Very high64 Ų6448.1 Ų48.130%0.29623%0.234SC..SBendtrans-88.9-12.7-176-56.9-39.8000112.8K118 E125K118-H123 PolarHBondContact O-N 2.91Å; H123-E125 HydrophobicContact CB-CG 3.61Å; H123-E125 PolarHBondContact O-N 3.04Å; H123-E125 VanDerWaalsContact O-N 3.15Å
124E97.4Very high96.7Very high89 Ų8949.5 Ų49.542%0.41625%0.25SS..  trans47.544.4179.5-65.8-171.1169.800111.6L91 S119 F126 T127 R133L91-E124 HydrophobicContact CD2-CG 4.32Å; S119-E124 PolarHBondContact O-N 3.41Å; S119-E124 VanDerWaalsContact O-N 3.1Å; E124-F126 PolarHBondContact O-N 3.26Å; E124-F126 VanDerWaalsContact O-N 3.17Å; E124-T127 HydrophobicContact CB-CG2 3.77Å; E124-T127 HydrophobicContact CG-CG2 4.29Å; E124-T127 PolarHBondContact O-OG1 3.02Å; E124-R133 PolarHBondContact O-NH2 3Å
125E98Very high96.8Very high2 Ų248 Ų481%0.00925%0.247CC..THydrogen-bonded Turntrans-72.7-7-172.6-71.3176.7167.600112.2S119 H123 A130 A135 Q136 F139 R230S119-E125 WeakPolarHBondContact CB-OE2 3.39Å; S119-E125 PolarHBondContact O-N 2.86Å; S119-E125 PolarHBondContact OG-OE2 3.36Å; H123-E125 HydrophobicContact CB-CG 3.61Å; H123-E125 PolarHBondContact O-N 3.04Å; H123-E125 VanDerWaalsContact O-N 3.15Å; E125-A130 VanDerWaalsContact O-CB 3.28Å; E125-A130 WeakPolarHBondContact O-CB 3.2Å; E125-A135 HydrophobicContact CG-CB 4.35Å; E125-Q136 WeakPolarHBondContact O-CG 3.35Å; E125-Q136 PolarHBondContact O-NE2 2.77Å; E125-F139 HydrophobicContact CB-CE1 4.31Å; E125-R230 IonicContact OE1-CZ 2.7Å; E125-R230 IonicContact OE1-NE 2.78Å; E125-R230 IonicContact OE1-NH2 3.17Å; E125-R230 PolarHBondContact OE1-NH2 2.85Å
126F98.3Very high96.9Very high0 Ų048.2 Ų48.20%025%0.247CC..THydrogen-bonded Turntrans-125.812.2-177-33-61.8000114.1L91 E92 A93 S94 L95 F99 F116 K120 E124 F139L91-F126 CarbonylContact O-C 3.55Å; L91-F126 VanDerWaalsContact O-CB 3.31Å; L91-F126 WeakPolarHBondContact O-CB 3.37Å; E92-F126 CarbonylContact C-O 3.31Å; E92-F126 VanDerWaalsContact C-O 3.31Å; A93-F126 PolarHBondContact N-O 3.39Å; S94-F126 PolarHBondContact N-O 3.11Å; L95-F126 HydrophobicContact CB-CB 3.89Å; L95-F126 HydrophobicContact CB-CD1 4.46Å; L95-F126 HydrophobicContact CB-CG 4.13Å; L95-F126 HydrophobicContact CD1-CB 4.34Å; L95-F126 HydrophobicContact CD1-CD1 3.47Å; L95-F126 VanDerWaalsContact CD1-CD1 3.47Å; L95-F126 HydrophobicContact CD1-CD2 3.85Å; L95-F126 HydrophobicContact CD1-CE1 3.58Å; L95-F126 HydrophobicContact CD1-CE2 3.94Å; L95-F126 HydrophobicContact CD1-CG 3.62Å; L95-F126 HydrophobicContact CD1-CZ 3.82Å; L95-F126 HydrophobicContact CG-CG 4.43Å; F99-F126 HydrophobicContact CD1-CE1 4.29Å; F99-F126 HydrophobicContact CD1-CZ 4.07Å; F99-F126 AromaticContact CD2-CE1 3.85Å; F99-F126 HydrophobicContact CD2-CE1 3.85Å; F99-F126 HydrophobicContact CD2-CZ 4.28Å; F99-F126 HydrophobicContact CE1-CE1 4.26Å; F99-F126 AromaticContact CE1-CZ 3.72Å; F99-F126 HydrophobicContact CE1-CZ 3.72Å; F99-F126 AromaticContact CE2-CE1 3.77Å; F99-F126 HydrophobicContact CE2-CE1 3.77Å; F99-F126 AromaticContact CE2-CZ 3.91Å; F99-F126 HydrophobicContact CE2-CZ 3.91Å; F99-F126 HydrophobicContact CG-CE1 4.11Å; F99-F126 HydrophobicContact CG-CZ 4.35Å; F99-F126 AromaticContact CZ-CE1 3.99Å; F99-F126 HydrophobicContact CZ-CE1 3.99Å; F99-F126 AromaticContact CZ-CZ 3.62Å; F99-F126 HydrophobicContact CZ-CZ 3.62Å; F116-F126 HydrophobicContact CD2-CE2 4.38Å; F116-F126 AromaticContact CE2-CE2 4Å; F116-F126 HydrophobicContact CE2-CE2 4Å; F116-F126 HydrophobicContact CE2-CZ 4.49Å; K120-F126 HydrophobicContact CB-CD2 4.16Å; K120-F126 HydrophobicContact CB-CE2 4.08Å; E124-F126 PolarHBondContact O-N 3.26Å; E124-F126 VanDerWaalsContact O-N 3.17Å; F126-F139 HydrophobicContact CD1-CZ 4.37Å; F126-F139 HydrophobicContact CE1-CE1 4.32Å; F126-F139 AromaticContact CE1-CZ 3.83Å; F126-F139 HydrophobicContact CE1-CZ 3.83Å
127T98.2Very high96.9Very high4 Ų451.3 Ų51.33%0.02527%0.269CS..SBendtrans-67.3168171.662.80000111.7L91 S94 E124 D129 A130 R133L91-T127 HydrophobicContact CD2-CG2 3.91Å; S94-T127 VanDerWaalsContact CB-O 3.26Å; S94-T127 WeakPolarHBondContact CB-O 3.48Å; S94-T127 PolarHBondContact OG-O 3.37Å; E124-T127 HydrophobicContact CB-CG2 3.77Å; E124-T127 HydrophobicContact CG-CG2 4.29Å; E124-T127 PolarHBondContact O-OG1 3.02Å; T127-D129 WeakPolarHBondContact CB-OD1 3.49Å; T127-D129 PolarHBondContact O-N 3.14Å; T127-D129 PolarHBondContact OG1-OD1 2.95Å; T127-A130 WeakPolarHBondContact O-CB 3.3Å; T127-A130 PolarHBondContact O-N 3.02Å; T127-A130 VanDerWaalsContact O-N 3.09Å; T127-R133 PolarHBondContact OG1-NH2 2.86Å
128R96.4Very high96.8Very high211 Ų21155.9 Ų55.980%0.79629%0.29SS*.THydrogen-bonded Turntrans-56.1-36.7-176.6-174.9177.7-68.4-170.8-0.4113.3A93 S94A93-R128 HydrophobicContact CB-CB 4.12Å; S94-R128 WeakPolarHBondContact OG-CA 3.49Å; S94-R128 PolarHBondContact OG-O 3.15Å
129D96.2Very high96.8Very high76 Ų7652.5 Ų52.541%0.40628%0.276SS..THydrogen-bonded Turntrans-95.6-0-177.867.1-37.9000113.6T127 I131 A132 R133T127-D129 WeakPolarHBondContact CB-OD1 3.49Å; T127-D129 PolarHBondContact O-N 3.14Å; T127-D129 PolarHBondContact OG1-OD1 2.95Å; D129-I131 VanDerWaalsContact C-N 3.29Å; D129-I131 PolarHBondContact O-N 3.2Å; D129-A132 PolarHBondContact O-N 2.59Å; D129-A132 VanDerWaalsContact O-N 3.09Å; D129-R133 PolarHBondContact O-N 3.41Å; D129-R133 IonicContact OD1-NE 3.66Å; D129-R133 IonicContact OD1-NH2 2.64Å; D129-R133 VanDerWaalsContact OD2-CD 3.24Å; D129-R133 WeakPolarHBondContact OD2-CD 3.27Å; D129-R133 IonicContact OD2-CZ 3.8Å; D129-R133 IonicContact OD2-NE 2.75Å; D129-R133 PolarHBondContact OD2-NE 2.79Å
130A97.3Very high96.8Very high0 Ų053.9 Ų53.90%029%0.287CS..THydrogen-bonded Turntrans-58-37.3-17400000113.8E125 T127 G134 A135E125-A130 VanDerWaalsContact O-CB 3.28Å; E125-A130 WeakPolarHBondContact O-CB 3.2Å; T127-A130 WeakPolarHBondContact O-CB 3.3Å; T127-A130 PolarHBondContact O-N 3.02Å; T127-A130 VanDerWaalsContact O-N 3.09Å; A130-G134 PolarHBondContact O-N 2.8Å; A130-A135 HydrophobicContact CB-CB 4.16Å; A130-A135 WeakPolarHBondContact O-CB 3.49Å; A130-A135 PolarHBondContact O-N 2.95Å
131I95.6Very high96.6Very high112 Ų11255.1 Ų55.157%0.57430%0.296SS*.THydrogen-bonded Turntrans-67.6-45.8177.3-62.4172.2000110.4D129 R133 G134D129-I131 VanDerWaalsContact C-N 3.29Å; D129-I131 PolarHBondContact O-N 3.2Å; I131-R133 VanDerWaalsContact C-N 3.28Å; I131-R133 PolarHBondContact O-N 2.99Å; I131-G134 PolarHBondContact O-N 2.79Å
132A96.7Very high96.4Very high97 Ų9758.8 Ų58.880%0.80232%0.323SS*.THydrogen-bonded Turntrans-63.1-34.4179.200000112.3D129 G134D129-A132 PolarHBondContact O-N 2.59Å; D129-A132 VanDerWaalsContact O-N 3.09Å; A132-G134 PolarHBondContact O-N 3Å
133R96.6Very high96.5Very high116 Ų11659.1 Ų59.144%0.43832%0.321SS..THydrogen-bonded Turntrans-76.7-4.4173.3-67-172.3-70.299.2-0.9114.2E124 T127 D129 I131 A135E124-R133 PolarHBondContact O-NH2 3Å; T127-R133 PolarHBondContact OG1-NH2 2.86Å; D129-R133 PolarHBondContact O-N 3.41Å; D129-R133 IonicContact OD1-NE 3.66Å; D129-R133 IonicContact OD1-NH2 2.64Å; D129-R133 VanDerWaalsContact OD2-CD 3.24Å; D129-R133 WeakPolarHBondContact OD2-CD 3.27Å; D129-R133 IonicContact OD2-CZ 3.8Å; D129-R133 IonicContact OD2-NE 2.75Å; D129-R133 PolarHBondContact OD2-NE 2.79Å; I131-R133 VanDerWaalsContact C-N 3.28Å; I131-R133 PolarHBondContact O-N 2.99Å; R133-A135 PolarHBondContact O-N 3.37Å
134G96.2Very high96.6Very high34 Ų3457.1 Ų57.135%0.35131%0.311SS..THydrogen-bonded Turntrans68.716.9-175.500000114.3A130 I131 A132 Q136 S137A130-G134 PolarHBondContact O-N 2.8Å; I131-G134 PolarHBondContact O-N 2.79Å; A132-G134 PolarHBondContact O-N 3Å; G134-Q136 PolarHBondContact O-N 2.87Å; G134-S137 VanDerWaalsContact O-CB 3.25Å; G134-S137 WeakPolarHBondContact O-CB 3.46Å; G134-S137 PolarHBondContact O-N 3.45Å; G134-S137 VanDerWaalsContact O-N 3.12Å; G134-S137 PolarHBondContact O-OG 3.44Å
135A96.9Very high96.6Very high21 Ų2155.6 Ų55.617%0.17431%0.31CS..THydrogen-bonded Turntrans-63.5-26.4-176.200000112.7E125 A130 R133E125-A135 HydrophobicContact CG-CB 4.35Å; A130-A135 HydrophobicContact CB-CB 4.16Å; A130-A135 WeakPolarHBondContact O-CB 3.49Å; A130-A135 PolarHBondContact O-N 2.95Å; R133-A135 PolarHBondContact O-N 3.37Å
136Q97.1Very high96.6Very high10 Ų1056.4 Ų56.45%0.04732%0.319CS..THydrogen-bonded Turntrans-89.3-3.3179.6-56.8-166.3-3.900114.1S94 E125 G134 Q138 F139 A140S94-Q136 PolarHBondContact O-NE2 3.36Å; E125-Q136 WeakPolarHBondContact O-CG 3.35Å; E125-Q136 PolarHBondContact O-NE2 2.77Å; G134-Q136 PolarHBondContact O-N 2.87Å; Q136-Q138 PolarHBondContact O-N 2.96Å; Q136-F139 HydrophobicContact CB-CE1 4.16Å; Q136-F139 HydrophobicContact CB-CE2 3.77Å; Q136-F139 HydrophobicContact CB-CZ 3.54Å; Q136-F139 HydrophobicContact CG-CE1 4.35Å; Q136-F139 HydrophobicContact CG-CE2 4.06Å; Q136-F139 HydrophobicContact CG-CZ 3.55Å; Q136-F139 PolarHBondContact O-N 3.4Å; Q136-F139 VanDerWaalsContact O-N 3.1Å; Q136-A140 HydrophobicContact CB-CB 3.81Å; Q136-A140 VanDerWaalsContact O-CB 3.23Å; Q136-A140 WeakPolarHBondContact O-CB 3.22Å; Q136-A140 PolarHBondContact O-N 2.83Å
137S95.9Very high96.6Very high68 Ų6859.6 Ų59.648%0.47634%0.339SS..THydrogen-bonded Turntrans-56.4-25.2-169.855.80000115G134G134-S137 VanDerWaalsContact O-CB 3.25Å; G134-S137 WeakPolarHBondContact O-CB 3.46Å; G134-S137 PolarHBondContact O-N 3.45Å; G134-S137 VanDerWaalsContact O-N 3.12Å; G134-S137 PolarHBondContact O-OG 3.44Å
138Q95.3Very high96.6Very high96 Ų9659.6 Ų59.645%0.44934%0.339SS..THydrogen-bonded Turntrans-76.5-25.1-177.8-67.1-61.5-33.600114.2Q136 K144 N234Q136-Q138 PolarHBondContact O-N 2.96Å; Q138-K144 PolarHBondContact O-NZ 3.06Å; Q138-N234 HydrophobicContact CB-CB 4.46Å; Q138-N234 WeakPolarHBondContact CB-ND2 3.36Å
139F96.5Very high96.7Very high0 Ų050.6 Ų50.60%031%0.306CS..THydrogen-bonded Turntrans-121.8-18.317963-104000113.6P96 Y98 F99 E125 F126 Q136 N234 N237 A238P96-F139 HydrophobicContact CG-CE2 4.28Å; Y98-F139 HydrophobicContact CE2-CD2 4.33Å; F99-F139 HydrophobicContact CD2-CD1 4.41Å; F99-F139 AromaticContact CD2-CD2 3.76Å; F99-F139 HydrophobicContact CD2-CD2 3.76Å; F99-F139 HydrophobicContact CD2-CE1 4.23Å; F99-F139 AromaticContact CD2-CE2 3.58Å; F99-F139 HydrophobicContact CD2-CE2 3.58Å; F99-F139 HydrophobicContact CD2-CG 4.19Å; F99-F139 AromaticContact CD2-CZ 3.82Å; F99-F139 HydrophobicContact CD2-CZ 3.82Å; F99-F139 AromaticContact CE2-CD1 3.8Å; F99-F139 HydrophobicContact CE2-CD1 3.8Å; F99-F139 AromaticContact CE2-CD2 3.98Å; F99-F139 HydrophobicContact CE2-CD2 3.98Å; F99-F139 AromaticContact CE2-CE1 3.71Å; F99-F139 HydrophobicContact CE2-CE1 3.71Å; F99-F139 AromaticContact CE2-CE2 3.92Å; F99-F139 HydrophobicContact CE2-CE2 3.92Å; F99-F139 AromaticContact CE2-CG 3.93Å; F99-F139 HydrophobicContact CE2-CG 3.93Å; F99-F139 AromaticContact CE2-CZ 3.77Å; F99-F139 HydrophobicContact CE2-CZ 3.77Å; E125-F139 HydrophobicContact CB-CE1 4.31Å; F126-F139 HydrophobicContact CD1-CZ 4.37Å; F126-F139 HydrophobicContact CE1-CE1 4.32Å; F126-F139 AromaticContact CE1-CZ 3.83Å; F126-F139 HydrophobicContact CE1-CZ 3.83Å; Q136-F139 HydrophobicContact CB-CE1 4.16Å; Q136-F139 HydrophobicContact CB-CE2 3.77Å; Q136-F139 HydrophobicContact CB-CZ 3.54Å; Q136-F139 HydrophobicContact CG-CE1 4.35Å; Q136-F139 HydrophobicContact CG-CE2 4.06Å; Q136-F139 HydrophobicContact CG-CZ 3.55Å; Q136-F139 PolarHBondContact O-N 3.4Å; Q136-F139 VanDerWaalsContact O-N 3.1Å; F139-N234 HydrophobicContact CB-CB 4.35Å; F139-N237 HydrophobicContact CB-CB 3.85Å; F139-N237 HydrophobicContact CG-CB 4.38Å; F139-A238 VanDerWaalsContact O-CA 3.28Å; F139-A238 WeakPolarHBondContact O-CA 3.29Å; F139-A238 PolarHBondContact O-N 3.1Å
140A96.7Very high96.8Very high35 Ų3547.5 Ų47.529%0.28929%0.289SS..SBendtrans-102.361.1-179.700000111Y98 Q136Y98-A140 WeakPolarHBondContact OH-CB 3.36Å; Q136-A140 HydrophobicContact CB-CB 3.81Å; Q136-A140 VanDerWaalsContact O-CB 3.23Å; Q136-A140 WeakPolarHBondContact O-CB 3.22Å; Q136-A140 PolarHBondContact O-N 2.83Å
141C93.6Very high96.8Very high26 Ų2648.2 Ų48.218%0.17629%0.292CS..  trans-131.5138.5-176.851.50000112.4F143 L241C141-F143 VanDerWaalsContact C-N 3.27Å; C141-F143 WeakPolarHBondContact CB-O 3.44Å; C141-F143 PolarHBondContact O-N 3.26Å; C141-L241 WeakPolarHBondContact O-CD2 3.39Å
142S93.7Very high96.7Very high86 Ų8645.4 Ų45.460%0.60128%0.278SS*.SBendtrans-71.3-24.3176.654.80000112.6V167S142-V167 WeakPolarHBondContact O-CB 3.36Å; S142-V167 WeakPolarHBondContact O-CG2 3.41Å; S142-V167 PolarHBondContact O-N 3.37Å
143F97.9Very high96.5Very high94 Ų9447.5 Ų47.541%0.41227%0.265SS..EExtended strand (participates in β ladder)trans-131.7134.2171.9-177.7-94.3000109.9C141 E164 L165C141-F143 VanDerWaalsContact C-N 3.27Å; C141-F143 WeakPolarHBondContact CB-O 3.44Å; C141-F143 PolarHBondContact O-N 3.26Å; F143-E164 HydrophobicContact CE2-CB 4.29Å; F143-E164 HydrophobicContact CZ-CB 4.31Å; F143-E164 HydrophobicContact CZ-CG 4.11Å; F143-L165 VanDerWaalsContact CA-O 3.3Å; F143-L165 WeakPolarHBondContact CA-O 3.3Å; F143-L165 VanDerWaalsContact CD2-O 3.28Å; F143-L165 WeakPolarHBondContact CD2-O 3.37Å
144K98.1Very high96.1Very high22 Ų2247.8 Ų47.810%0.09628%0.276CS..EExtended strand (participates in β ladder)trans-136.2131.2174-169.1176.4179.467.50109.6Q138 E164 L165 W235 A238Q138-K144 PolarHBondContact O-NZ 3.06Å; K144-E164 CarbonylContact O-C 3.58Å; K144-E164 WeakPolarHBondContact O-CA 3.04Å; K144-L165 HydrophobicContact CB-CB 4.2Å; K144-L165 HydrophobicContact CB-CD2 4.35Å; K144-L165 PolarHBondContact N-O 2.98Å; K144-L165 PolarHBondContact O-N 3.46Å; K144-W235 HydrophobicContact CB-CH2 4.36Å; K144-W235 HydrophobicContact CB-CZ3 4.38Å; K144-W235 HydrophobicContact CD-CD2 3.88Å; K144-W235 HydrophobicContact CD-CE3 4.07Å; K144-W235 HydrophobicContact CD-CG 4.33Å; K144-W235 HydrophobicContact CD-CH2 4.45Å; K144-W235 HydrophobicContact CD-CZ2 4.28Å; K144-W235 HydrophobicContact CD-CZ3 4.36Å; K144-W235 HydrophobicContact CG-CH2 4.1Å; K144-W235 HydrophobicContact CG-CZ2 4.09Å; K144-W235 HydrophobicContact CG-CZ3 4.34Å; K144-W235 WeakPolarHBondContact O-CH2 3.43Å; K144-A238 HydrophobicContact CD-CB 4.01Å
145S97.6Very high95.9Very high57 Ų5748.1 Ų48.140%0.39927%0.273SS..EExtended strand (participates in β ladder)trans-125.6161.3169.668.70000111.2F163S145-F163 CarbonylContact C-O 3.58Å; S145-F163 WeakPolarHBondContact CA-O 3.4Å
146G97.5Very high95.4Very high19 Ų1951.9 Ų51.920%0.19629%0.294CS..EExtended strand (participates in β ladder)trans156.5173.3175.700000113.4F163G146-F163 PolarHBondContact N-O 3.38Å; G146-F163 PolarHBondContact O-N 2.82Å
147V97.8Very high95.3Very high68 Ų6854.5 Ų54.541%0.41231%0.31SS..EExtended strand (participates in β ladder)trans-84.5132.4179.5178.60000110.2E160 R161 F162V147-E160 HydrophobicContact CG1-CB 3.65Å; V147-E160 HydrophobicContact CG1-CG 3.7Å; V147-R161 WeakPolarHBondContact CA-O 3.48Å; V147-F162 HydrophobicContact CG2-CD2 4.41Å
148L98.4Very high95.3Very high4 Ų452.8 Ų52.82%0.02129%0.294CS..EExtended strand (participates in β ladder)trans-127.8153.5162.7-67.8172.8000109.1R161 F163 I224 T231 I232 W235L148-R161 PolarHBondContact N-O 3.03Å; L148-R161 PolarHBondContact O-N 2.99Å; L148-F163 HydrophobicContact CB-CD2 3.65Å; L148-F163 HydrophobicContact CB-CE2 3.66Å; L148-F163 HydrophobicContact CD1-CD2 4.08Å; L148-F163 HydrophobicContact CD1-CE2 4.38Å; L148-F163 HydrophobicContact CD1-CG 4.22Å; L148-F163 HydrophobicContact CG-CD2 4.17Å; L148-I224 HydrophobicContact CD1-CD1 4.33Å; L148-T231 HydrophobicContact CD2-CG2 4.14Å; L148-I232 HydrophobicContact CD2-CD1 4.27Å; L148-W235 HydrophobicContact CD1-CD2 3.89Å; L148-W235 HydrophobicContact CD1-CE3 4.47Å; L148-W235 HydrophobicContact CD1-CG 3.88Å; L148-W235 HydrophobicContact CD2-CG 4.35Å; L148-W235 HydrophobicContact CG-CG 4.46Å
149L98.4Very high95.4Very high22 Ų2253.7 Ų53.712%0.11529%0.294CS..EExtended strand (participates in β ladder)trans-84.1120.6173.8-71.8172.4000108.9F158 Y159 E160 I224 R225 E227L149-F158 HydrophobicContact CB-CB 4.09Å; L149-F158 HydrophobicContact CB-CD1 4.15Å; L149-F158 WeakPolarHBondContact O-CD1 3.25Å; L149-Y159 WeakPolarHBondContact CA-O 3.5Å; L149-E160 HydrophobicContact CD2-CG 3.79Å; L149-I224 CarbonylContact O-C 3.59Å; L149-I224 VanDerWaalsContact O-CA 3.25Å; L149-I224 WeakPolarHBondContact O-CA 3.27Å; L149-R225 HydrophobicContact CB-CG 3.6Å; L149-R225 WeakPolarHBondContact CB-O 3.29Å; L149-R225 HydrophobicContact CD1-CG 4Å; L149-R225 HydrophobicContact CG-CG 4.47Å; L149-R225 PolarHBondContact N-O 2.97Å; L149-R225 PolarHBondContact O-N 2.93Å; L149-E227 WeakPolarHBondContact CD1-OE1 3.28Å
150K98.1Very high95.5Very high11 Ų1160 Ų605%0.04832%0.324CS..EExtended strand (participates in β ladder)trans-113.8130.7178.5-175.4-169.5164.1-65.30110.2F158 Y159 R161 F163 Y174 M222 I224K150-F158 WeakPolarHBondContact O-CA 3.38Å; K150-Y159 PolarHBondContact N-O 3.32Å; K150-Y159 PolarHBondContact O-N 2.86Å; K150-R161 HydrophobicContact CB-CB 4.37Å; K150-R161 HydrophobicContact CB-CG 3.8Å; K150-R161 HydrophobicContact CD-CG 4.22Å; K150-F163 HydrophobicContact CB-CE2 4.4Å; K150-F163 HydrophobicContact CB-CZ 4.29Å; K150-F163 HydrophobicContact CD-CZ 4.34Å; K150-Y174 HydrophobicContact CD-CD1 4.31Å; K150-Y174 HydrophobicContact CD-CD2 4.37Å; K150-Y174 HydrophobicContact CD-CE1 3.93Å; K150-Y174 HydrophobicContact CD-CE2 4.05Å; K150-M222 HydrophobicContact CD-CG 4.26Å; K150-M222 HydrophobicContact CD-SD 3.78Å; K150-M222 WeakPolarHBondContact CE-SD 3.31Å; K150-M222 HydrophobicContact CG-CG 4.16Å; K150-M222 HydrophobicContact CG-SD 4.28Å; K150-I224 HydrophobicContact CB-CG2 4.25Å; K150-I224 HydrophobicContact CG-CG2 4.1Å
151K97.3Very high95.6Very high14 Ų1460.1 Ų60.16%0.06132%0.317CS..EExtended strand (participates in β ladder)trans-62.6136.4170.7-169.5-167.6155.9-720110.4R153 S155 T157 F158 F223K151-R153 PolarHBondContact NZ-O 2.88Å; K151-S155 WeakPolarHBondContact CE-O 3.32Å; K151-S155 WeakPolarHBondContact CG-O 3.41Å; K151-S155 PolarHBondContact NZ-O 3.33Å; K151-T157 WeakPolarHBondContact CA-O 3.31Å; K151-F158 HydrophobicContact CB-CD1 4.13Å; K151-F158 HydrophobicContact CB-CD2 4.5Å; K151-F158 HydrophobicContact CB-CE1 3.87Å; K151-F158 HydrophobicContact CB-CE2 4.26Å; K151-F158 HydrophobicContact CB-CG 4.44Å; K151-F158 HydrophobicContact CB-CZ 3.94Å; K151-F158 HydrophobicContact CG-CE2 4.45Å; K151-F158 VanDerWaalsContact N-CD1 3.32Å; K151-F223 HydrophobicContact CB-CB 3.92Å; K151-F223 HydrophobicContact CD-CB 4.26Å; K151-F223 HydrophobicContact CD-CD2 3.89Å; K151-F223 HydrophobicContact CD-CG 4.33Å; K151-F223 PolarHBondContact N-O 3.19Å
152L94.4Very high95.8Very high54 Ų5460.7 Ų60.728%0.28332%0.316SS..  trans-66.3158.5169.7-63.7-173.3000111.2S155 T157 Y159L152-S155 VanDerWaalsContact O-O 3.08Å; L152-T157 PolarHBondContact N-O 3.16Å; L152-Y159 HydrophobicContact CD1-CD2 3.68Å; L152-Y159 HydrophobicContact CD1-CE2 3.48Å; L152-Y159 VanDerWaalsContact CD1-CE2 3.48Å; L152-Y159 HydrophobicContact CD2-CD2 3.95Å; L152-Y159 HydrophobicContact CG-CD2 3.65Å; L152-Y159 HydrophobicContact CG-CE2 3.97Å
153R92.7Very high96Very high141 Ų14156.7 Ų56.753%0.53229%0.288SS..SBendtrans-62.3-52.3-178.5-172.2-174.664.2-168-5.2110.6K151 P309K151-R153 PolarHBondContact NZ-O 2.88Å; R153-P309 HydrophobicContact CG-CB 3.73Å; R153-P309 HydrophobicContact CG-CG 3.81Å
154D88.8Confident96Very high122 Ų12253.6 Ų53.665%0.65228%0.275SS*.SBendtrans-107.421.1-169-47.8-45.5000112.4
155S90.6Very high96.1Very high41 Ų4152.6 Ų52.629%0.28727%0.27SS..SBendtrans-145.3153.7177.8157.40000110.6K151 L152 T157K151-S155 WeakPolarHBondContact CE-O 3.32Å; K151-S155 WeakPolarHBondContact CG-O 3.41Å; K151-S155 PolarHBondContact NZ-O 3.33Å; L152-S155 VanDerWaalsContact O-O 3.08Å; S155-T157 VanDerWaalsContact C-N 3.28Å; S155-T157 WeakPolarHBondContact OG-CB 3.26Å; S155-T157 PolarHBondContact OG-N 2.87Å; S155-T157 PolarHBondContact OG-OG1 2.77Å; S155-T157 VanDerWaalsContact OG-OG1 3.08Å
156T86.9Confident96.1Very high100 Ų10050.5 Ų50.561%0.61326%0.256SS*.SBendtrans-78.6-11.6173.853.10000113L307T156-L307 HydrophobicContact CG2-CD1 4.19Å
157T94.3Very high96Very high64 Ų6450.4 Ų50.439%0.39325%0.252SS..  trans-73.7140.6-177.9-45.80000111.8K151 L152 S155 Y159K151-T157 WeakPolarHBondContact CA-O 3.31Å; L152-T157 PolarHBondContact N-O 3.16Å; S155-T157 VanDerWaalsContact C-N 3.28Å; S155-T157 WeakPolarHBondContact OG-CB 3.26Å; S155-T157 PolarHBondContact OG-N 2.87Å; S155-T157 PolarHBondContact OG-OG1 2.77Å; S155-T157 VanDerWaalsContact OG-OG1 3.08Å; T157-Y159 HydrophobicContact CG2-CD2 4.08Å; T157-Y159 HydrophobicContact CG2-CE2 3.5Å
158F97.1Very high95.8Very high33 Ų3356 Ų5615%0.14527%0.273CS..EExtended strand (participates in β ladder)trans-96.9141.4171.2-73-103.3000110.6L149 K150 K151 L204 T208 F223 R225L149-F158 HydrophobicContact CB-CB 4.09Å; L149-F158 HydrophobicContact CB-CD1 4.15Å; L149-F158 WeakPolarHBondContact O-CD1 3.25Å; K150-F158 WeakPolarHBondContact O-CA 3.38Å; K151-F158 HydrophobicContact CB-CD1 4.13Å; K151-F158 HydrophobicContact CB-CD2 4.5Å; K151-F158 HydrophobicContact CB-CE1 3.87Å; K151-F158 HydrophobicContact CB-CE2 4.26Å; K151-F158 HydrophobicContact CB-CG 4.44Å; K151-F158 HydrophobicContact CB-CZ 3.94Å; K151-F158 HydrophobicContact CG-CE2 4.45Å; K151-F158 VanDerWaalsContact N-CD1 3.32Å; F158-L204 HydrophobicContact CE2-CD2 3.93Å; F158-L204 HydrophobicContact CZ-CD2 4.1Å; F158-T208 HydrophobicContact CE1-CG2 4.5Å; F158-T208 HydrophobicContact CZ-CG2 4.21Å; F158-F223 HydrophobicContact CE1-CB 4.33Å; F158-F223 HydrophobicContact CZ-CB 4.26Å; F158-R225 HydrophobicContact CD1-CG 3.8Å; F158-R225 HydrophobicContact CE1-CB 4.35Å; F158-R225 HydrophobicContact CE1-CG 3.89Å; F158-R225 HydrophobicContact CG-CG 4.44Å
159Y97Very high95.8Very high115 Ų11557.9 Ų57.945%0.45129%0.293SS..EExtended strand (participates in β ladder)trans-130.5149.4173.5-75.5-94.2000110.3L149 K150 L152 T157 R161L149-Y159 WeakPolarHBondContact CA-O 3.5Å; K150-Y159 PolarHBondContact N-O 3.32Å; K150-Y159 PolarHBondContact O-N 2.86Å; L152-Y159 HydrophobicContact CD1-CD2 3.68Å; L152-Y159 HydrophobicContact CD1-CE2 3.48Å; L152-Y159 VanDerWaalsContact CD1-CE2 3.48Å; L152-Y159 HydrophobicContact CD2-CD2 3.95Å; L152-Y159 HydrophobicContact CG-CD2 3.65Å; L152-Y159 HydrophobicContact CG-CE2 3.97Å; T157-Y159 HydrophobicContact CG2-CD2 4.08Å; T157-Y159 HydrophobicContact CG2-CE2 3.5Å; Y159-R161 PolarHBondContact O-N 3.13Å
160E98.1Very high95.7Very high131 Ų13158.3 Ų58.361%0.61230%0.295SS*.EExtended strand (participates in β ladder)trans-58.7131.4172.3-67.1-171.8162.400110.9V147 L149V147-E160 HydrophobicContact CG1-CB 3.65Å; V147-E160 HydrophobicContact CG1-CG 3.7Å; L149-E160 HydrophobicContact CD2-CG 3.79Å
161R98.2Very high95.7Very high38 Ų3859.8 Ų59.814%0.14330%0.301CS..EExtended strand (participates in β ladder)trans-133.1142170.1-62.5-65.2175.7-105.82107.6V147 L148 K150 Y159 F163 Y174 Y175V147-R161 WeakPolarHBondContact CA-O 3.48Å; L148-R161 PolarHBondContact N-O 3.03Å; L148-R161 PolarHBondContact O-N 2.99Å; K150-R161 HydrophobicContact CB-CB 4.37Å; K150-R161 HydrophobicContact CB-CG 3.8Å; K150-R161 HydrophobicContact CD-CG 4.22Å; Y159-R161 PolarHBondContact O-N 3.13Å; R161-F163 HydrophobicContact CB-CD2 4.17Å; R161-F163 HydrophobicContact CB-CE2 3.68Å; R161-F163 HydrophobicContact CB-CZ 4.46Å; R161-F163 WeakPolarHBondContact O-CD2 3.45Å; R161-Y174 HydrophobicContact CB-CD2 4.02Å; R161-Y174 HydrophobicContact CG-CD2 4.04Å; R161-Y174 HydrophobicContact CG-CE2 4.38Å; R161-Y175 WeakPolarHBondContact CB-O 3.45Å; R161-Y175 VanDerWaalsContact CD-O 3.3Å; R161-Y175 WeakPolarHBondContact CD-O 3.48Å
162F98.5Very high95.8Very high39 Ų3959.3 Ų59.317%0.17130%0.299CS..EExtended strand (participates in β ladder)trans-85119.3174.6-171.8-103000108.5V147 E164 Y174 Y175 P178V147-F162 HydrophobicContact CG2-CD2 4.41Å; F162-E164 HydrophobicContact CD1-CG 4.18Å; F162-E164 HydrophobicContact CE1-CG 3.74Å; F162-Y174 CarbonylContact O-C 3.53Å; F162-Y174 WeakPolarHBondContact O-CA 3.4Å; F162-Y175 HydrophobicContact CD1-CD2 4.13Å; F162-Y175 PolarHBondContact N-O 3.37Å; F162-Y175 PolarHBondContact O-N 3.3Å; F162-P178 HydrophobicContact CB-CB 4.31Å; F162-P178 HydrophobicContact CB-CG 4.01Å; F162-P178 HydrophobicContact CD2-CB 4.16Å; F162-P178 HydrophobicContact CD2-CG 4.05Å; F162-P178 HydrophobicContact CG-CB 4.1Å; F162-P178 HydrophobicContact CG-CG 4.16Å
163F98.6Very high95.9Very high2 Ų259.7 Ų59.71%0.00930%0.297CS..EExtended strand (participates in β ladder)trans-102.5148.7178.9-77.3-100.6000110.5S145 G146 L148 K150 R161 L172 R173 Y174 I224 W235S145-F163 CarbonylContact C-O 3.58Å; S145-F163 WeakPolarHBondContact CA-O 3.4Å; G146-F163 PolarHBondContact N-O 3.38Å; G146-F163 PolarHBondContact O-N 2.82Å; L148-F163 HydrophobicContact CB-CD2 3.65Å; L148-F163 HydrophobicContact CB-CE2 3.66Å; L148-F163 HydrophobicContact CD1-CD2 4.08Å; L148-F163 HydrophobicContact CD1-CE2 4.38Å; L148-F163 HydrophobicContact CD1-CG 4.22Å; L148-F163 HydrophobicContact CG-CD2 4.17Å; K150-F163 HydrophobicContact CB-CE2 4.4Å; K150-F163 HydrophobicContact CB-CZ 4.29Å; K150-F163 HydrophobicContact CD-CZ 4.34Å; R161-F163 HydrophobicContact CB-CD2 4.17Å; R161-F163 HydrophobicContact CB-CE2 3.68Å; R161-F163 HydrophobicContact CB-CZ 4.46Å; R161-F163 WeakPolarHBondContact O-CD2 3.45Å; F163-L172 HydrophobicContact CD1-CD1 4.12Å; F163-L172 HydrophobicContact CD1-CG 4.35Å; F163-R173 CarbonylContact C-O 3.52Å; F163-R173 WeakPolarHBondContact CA-O 3.21Å; F163-Y174 HydrophobicContact CE1-CD1 4.16Å; F163-Y174 HydrophobicContact CE1-CG 4.17Å; F163-Y174 HydrophobicContact CZ-CD1 4.39Å; F163-Y174 HydrophobicContact CZ-CG 4.2Å; F163-I224 HydrophobicContact CE1-CG2 4.45Å; F163-I224 HydrophobicContact CZ-CG2 3.82Å; F163-W235 HydrophobicContact CB-CH2 3.53Å; F163-W235 HydrophobicContact CB-CZ2 3.96Å; F163-W235 HydrophobicContact CB-CZ3 4.04Å
164E98.3Very high96.2Very high29 Ų2953.6 Ų53.614%0.13627%0.274CS..EExtended strand (participates in β ladder)trans-134.1128.5169.7-65.2-175156.300109.7F143 K144 F162 Y171 L172 R173 Y175F143-E164 HydrophobicContact CE2-CB 4.29Å; F143-E164 HydrophobicContact CZ-CB 4.31Å; F143-E164 HydrophobicContact CZ-CG 4.11Å; K144-E164 CarbonylContact O-C 3.58Å; K144-E164 WeakPolarHBondContact O-CA 3.04Å; F162-E164 HydrophobicContact CD1-CG 4.18Å; F162-E164 HydrophobicContact CE1-CG 3.74Å; E164-Y171 HydrophobicContact CB-CE2 4.33Å; E164-L172 CarbonylContact O-C 3.38Å; E164-L172 WeakPolarHBondContact O-CA 3.11Å; E164-R173 HydrophobicContact CB-CG 3.99Å; E164-R173 PolarHBondContact N-O 3.36Å; E164-R173 PolarHBondContact O-N 2.91Å; E164-R173 IonicContact OE2-CZ 2.84Å; E164-R173 IonicContact OE2-NE 3.12Å; E164-R173 PolarHBondContact OE2-NE 2.83Å; E164-R173 IonicContact OE2-NH2 3.61Å; E164-R173 PolarHBondContact OE2-NH2 2.95Å; E164-Y175 HydrophobicContact CG-CE2 4.08Å; E164-Y175 PolarHBondContact OE2-OH 3.31Å
165L98.5Very high96.7Very high0 Ų048.5 Ų48.50%025%0.246CC..EExtended strand (participates in β ladder)trans-108.1129.9170.3175.876.2000108F143 K144 Y171 L172 L189 W235 A238 I239F143-L165 VanDerWaalsContact CA-O 3.3Å; F143-L165 WeakPolarHBondContact CA-O 3.3Å; F143-L165 VanDerWaalsContact CD2-O 3.28Å; F143-L165 WeakPolarHBondContact CD2-O 3.37Å; K144-L165 HydrophobicContact CB-CB 4.2Å; K144-L165 HydrophobicContact CB-CD2 4.35Å; K144-L165 PolarHBondContact N-O 2.98Å; K144-L165 PolarHBondContact O-N 3.46Å; L165-Y171 WeakPolarHBondContact CA-O 3.35Å; L165-L172 HydrophobicContact CB-CD1 4.13Å; L165-L172 HydrophobicContact CD1-CB 4.32Å; L165-L172 HydrophobicContact CD1-CD1 4.28Å; L165-L189 HydrophobicContact CD1-CD1 3.41Å; L165-L189 VanDerWaalsContact CD1-CD1 3.41Å; L165-L189 HydrophobicContact CD1-CD2 3.54Å; L165-L189 HydrophobicContact CD1-CG 4.06Å; L165-L189 HydrophobicContact CG-CD2 4.48Å; L165-W235 HydrophobicContact CB-CZ3 3.83Å; L165-A238 HydrophobicContact CD2-CB 3.57Å; L165-I239 HydrophobicContact CD1-CG1 3.97Å; L165-I239 HydrophobicContact CD2-CG1 4.4Å
166S98Very high97Very high14 Ų1449.3 Ų49.310%0.09825%0.249CC..EExtended strand (participates in β ladder)trans-128.2119.2167.8-178.90000109.6G169 N170 Y171S166-G169 PolarHBondContact OG-N 2.98Å; S166-N170 PolarHBondContact O-N 3.01Å; S166-Y171 PolarHBondContact N-O 3.48Å; S166-Y171 PolarHBondContact O-N 3.47Å; S166-Y171 VanDerWaalsContact O-N 3.08Å
167V96Very high97.4Very high17 Ų1750.6 Ų50.610%0.10325%0.246CC..THydrogen-bonded Turntrans-67.6-45.5174.7175.80000110.2S142 N170 H245S142-V167 WeakPolarHBondContact O-CB 3.36Å; S142-V167 WeakPolarHBondContact O-CG2 3.41Å; S142-V167 PolarHBondContact O-N 3.37Å; V167-N170 PolarHBondContact O-N 3.46Å; V167-H245 HydrophobicContact CG1-CB 3.86Å
168E94.7Very high97.3Very high186 Ų18651.9 Ų51.987%0.86926%0.255SS*.THydrogen-bonded Turntrans-65.3-45.3178.4-175.2177.8-175.900111.4N170E168-N170 PolarHBondContact O-N 2.99Å
169G96.5Very high97.2Very high42 Ų4255.3 Ų55.343%0.43328%0.284SS..THydrogen-bonded Turntrans-73.9-5.7176.600000114.6S166 Y171S166-G169 PolarHBondContact OG-N 2.98Å; G169-Y171 VanDerWaalsContact C-N 3.3Å; G169-Y171 WeakPolarHBondContact O-CD1 3.32Å; G169-Y171 PolarHBondContact O-N 3.25Å
170N97Very high97.2Very high31 Ų3152.5 Ų52.517%0.16628%0.276CS..THydrogen-bonded Turntrans49.543.9-175.3-171.743.6000114S166 V167 E168 D188 L189 E190S166-N170 PolarHBondContact O-N 3.01Å; V167-N170 PolarHBondContact O-N 3.46Å; E168-N170 PolarHBondContact O-N 2.99Å; N170-D188 PolarHBondContact ND2-OD1 3.5Å; N170-L189 PolarHBondContact O-N 3.48Å; N170-L189 VanDerWaalsContact O-N 3.13Å; N170-E190 WeakPolarHBondContact OD1-CB 2.96Å; N170-E190 PolarHBondContact OD1-N 2.74Å; N170-E190 VanDerWaalsContact OD1-N 3.12Å
171Y98Very high97.1Very high43 Ų4351.6 Ų51.617%0.16928%0.284CS..EExtended strand (participates in β ladder)trans-137.2151.6179.166.2-106.4000114.3E164 L165 S166 G169 R173 L187E164-Y171 HydrophobicContact CB-CE2 4.33Å; L165-Y171 WeakPolarHBondContact CA-O 3.35Å; S166-Y171 PolarHBondContact N-O 3.48Å; S166-Y171 PolarHBondContact O-N 3.47Å; S166-Y171 VanDerWaalsContact O-N 3.08Å; G169-Y171 VanDerWaalsContact C-N 3.3Å; G169-Y171 WeakPolarHBondContact O-CD1 3.32Å; G169-Y171 PolarHBondContact O-N 3.25Å; Y171-R173 HydrophobicContact CD2-CB 4.09Å; Y171-R173 HydrophobicContact CD2-CG 3.67Å; Y171-R173 VanDerWaalsContact CE2-CD 3.46Å; Y171-R173 HydrophobicContact CE2-CG 3.67Å; Y171-R173 PolarHBondContact OH-NH2 3Å; Y171-L187 CarbonylContact C-O 3.58Å; Y171-L187 VanDerWaalsContact CA-O 3.22Å; Y171-L187 WeakPolarHBondContact CA-O 3.23Å
172L98.6Very high97Very high4 Ų456.5 Ų56.52%0.02131%0.309CS..EExtended strand (participates in β ladder)trans-117.9114.1155.2176.969.9000107.3F163 E164 L165 L187 L192 I211 W235 I239F163-L172 HydrophobicContact CD1-CD1 4.12Å; F163-L172 HydrophobicContact CD1-CG 4.35Å; E164-L172 CarbonylContact O-C 3.38Å; E164-L172 WeakPolarHBondContact O-CA 3.11Å; L165-L172 HydrophobicContact CB-CD1 4.13Å; L165-L172 HydrophobicContact CD1-CB 4.32Å; L165-L172 HydrophobicContact CD1-CD1 4.28Å; L172-L187 PolarHBondContact N-O 2.74Å; L172-L187 WeakPolarHBondContact O-CA 3.12Å; L172-L187 VanDerWaalsContact O-CB 3.25Å; L172-L187 WeakPolarHBondContact O-CB 3.22Å; L172-L187 WeakPolarHBondContact O-CG 3.4Å; L172-L187 PolarHBondContact O-N 2.88Å; L172-L192 HydrophobicContact CB-CD2 3.82Å; L172-L192 HydrophobicContact CD2-CD2 3.99Å; L172-I211 HydrophobicContact CD2-CD1 3.7Å; L172-W235 HydrophobicContact CD1-CE3 4.33Å; L172-W235 HydrophobicContact CD1-CZ3 3.82Å; L172-I239 HydrophobicContact CD2-CD1 3.87Å
173R98.2Very high97Very high61 Ų6156.3 Ų56.323%0.2331%0.311CS..EExtended strand (participates in β ladder)trans-121.9159.8-18068.4-171.6-177.7-179.13.3111.1F163 E164 Y171 Y175 P183 Q185F163-R173 CarbonylContact C-O 3.52Å; F163-R173 WeakPolarHBondContact CA-O 3.21Å; E164-R173 HydrophobicContact CB-CG 3.99Å; E164-R173 PolarHBondContact N-O 3.36Å; E164-R173 PolarHBondContact O-N 2.91Å; E164-R173 IonicContact OE2-CZ 2.84Å; E164-R173 IonicContact OE2-NE 3.12Å; E164-R173 PolarHBondContact OE2-NE 2.83Å; E164-R173 IonicContact OE2-NH2 3.61Å; E164-R173 PolarHBondContact OE2-NH2 2.95Å; Y171-R173 HydrophobicContact CD2-CB 4.09Å; Y171-R173 HydrophobicContact CD2-CG 3.67Å; Y171-R173 VanDerWaalsContact CE2-CD 3.46Å; Y171-R173 HydrophobicContact CE2-CG 3.67Å; Y171-R173 PolarHBondContact OH-NH2 3Å; R173-Y175 HydrophobicContact CG-CE2 3.97Å; R173-Y175 PolarHBondContact NE-OH 3.32Å; R173-Y175 PolarHBondContact NH2-OH 2.71Å; R173-Y175 VanDerWaalsContact NH2-OH 3.08Å; R173-P183 HydrophobicContact CB-CB 3.96Å; R173-P183 HydrophobicContact CG-CB 4.17Å; R173-Q185 CarbonylContact C-O 3.59Å; R173-Q185 WeakPolarHBondContact CA-O 3.41Å; R173-Q185 VanDerWaalsContact CB-O 3.31Å; R173-Q185 WeakPolarHBondContact CB-O 3.43Å
174Y98.5Very high97Very high13 Ų1363 Ų635%0.05134%0.34CS..EExtended strand (participates in β ladder)trans-137.8153.6173.579.1-95.2000112.3K150 R161 F162 F163 P183 K184 Q185 M222K150-Y174 HydrophobicContact CD-CD1 4.31Å; K150-Y174 HydrophobicContact CD-CD2 4.37Å; K150-Y174 HydrophobicContact CD-CE1 3.93Å; K150-Y174 HydrophobicContact CD-CE2 4.05Å; R161-Y174 HydrophobicContact CB-CD2 4.02Å; R161-Y174 HydrophobicContact CG-CD2 4.04Å; R161-Y174 HydrophobicContact CG-CE2 4.38Å; F162-Y174 CarbonylContact O-C 3.53Å; F162-Y174 WeakPolarHBondContact O-CA 3.4Å; F163-Y174 HydrophobicContact CE1-CD1 4.16Å; F163-Y174 HydrophobicContact CE1-CG 4.17Å; F163-Y174 HydrophobicContact CZ-CD1 4.39Å; F163-Y174 HydrophobicContact CZ-CG 4.2Å; Y174-P183 CarbonylContact O-C 3.57Å; Y174-K184 HydrophobicContact CD2-CB 4.08Å; Y174-K184 HydrophobicContact CE2-CB 3.59Å; Y174-K184 HydrophobicContact CE2-CG 3.66Å; Y174-K184 PolarHBondContact O-N 2.95Å; Y174-Q185 HydrophobicContact CD1-CB 4.07Å; Y174-Q185 HydrophobicContact CE1-CB 3.51Å; Y174-Q185 HydrophobicContact CE1-CG 4.4Å; Y174-Q185 PolarHBondContact N-O 2.87Å; Y174-Q185 PolarHBondContact O-N 3.39Å; Y174-M222 HydrophobicContact CD1-SD 4.38Å; Y174-M222 HydrophobicContact CE1-SD 4.06Å
175Y98.6Very high96.9Very high15 Ų1563 Ų636%0.05934%0.341CS..EExtended strand (participates in β ladder)trans-115.5153.7179.2-59.6-102.9000109.4R161 F162 E164 R173 K177 D180 Q182 P183R161-Y175 WeakPolarHBondContact CB-O 3.45Å; R161-Y175 VanDerWaalsContact CD-O 3.3Å; R161-Y175 WeakPolarHBondContact CD-O 3.48Å; F162-Y175 HydrophobicContact CD1-CD2 4.13Å; F162-Y175 PolarHBondContact N-O 3.37Å; F162-Y175 PolarHBondContact O-N 3.3Å; E164-Y175 HydrophobicContact CG-CE2 4.08Å; E164-Y175 PolarHBondContact OE2-OH 3.31Å; R173-Y175 HydrophobicContact CG-CE2 3.97Å; R173-Y175 PolarHBondContact NE-OH 3.32Å; R173-Y175 PolarHBondContact NH2-OH 2.71Å; R173-Y175 VanDerWaalsContact NH2-OH 3.08Å; Y175-K177 VanDerWaalsContact CB-O 3.26Å; Y175-K177 WeakPolarHBondContact CB-O 3.43Å; Y175-D180 HydrophobicContact CD1-CB 3.95Å; Y175-D180 WeakPolarHBondContact CD1-O 3.35Å; Y175-D180 WeakPolarHBondContact CE1-O 3.43Å; Y175-Q182 WeakPolarHBondContact CD1-O 3.24Å; Y175-P183 HydrophobicContact CD1-CB 4.33Å; Y175-P183 VanDerWaalsContact CE1-CA 3.48Å; Y175-P183 HydrophobicContact CE1-CB 3.97Å; Y175-P183 HydrophobicContact CE2-CB 4.14Å
176V97.6Very high96.9Very high58 Ų5866.3 Ų66.335%0.35236%0.364SS..SBendtrans-71-42.2174.4-177.70000108.9D180 K184V176-D180 WeakPolarHBondContact CA-OD2 3.42Å; V176-D180 VanDerWaalsContact CB-OD2 3.31Å; V176-D180 WeakPolarHBondContact CB-OD2 3.25Å; V176-D180 PolarHBondContact N-OD2 3.39Å; V176-K184 HydrophobicContact CG2-CB 4.04Å; V176-K184 HydrophobicContact CG2-CD 4.27Å; V176-K184 HydrophobicContact CG2-CG 4.08Å
177K94.5Very high96.9Very high127 Ų12766 Ų6655%0.55236%0.361SS*.SBendtrans-129.5151.6173.7-58.4178.5-178.91800110.2Y175 S179 D180Y175-K177 VanDerWaalsContact CB-O 3.26Å; Y175-K177 WeakPolarHBondContact CB-O 3.43Å; K177-S179 PolarHBondContact O-N 2.98Å; K177-S179 VanDerWaalsContact O-N 3.15Å; K177-D180 PolarHBondContact N-OD2 2.94Å; K177-D180 WeakPolarHBondContact O-CB 3.46Å; K177-D180 PolarHBondContact O-N 2.95Å; K177-D180 VanDerWaalsContact O-N 3.11Å
178P93.3Very high96.9Very high91 Ų9168 Ų6859%0.59137%0.371SS*.THydrogen-bonded Turntrans-58.5-25.3175-21.430.7000114F162 D180F162-P178 HydrophobicContact CB-CB 4.31Å; F162-P178 HydrophobicContact CB-CG 4.01Å; F162-P178 HydrophobicContact CD2-CB 4.16Å; F162-P178 HydrophobicContact CD2-CG 4.05Å; F162-P178 HydrophobicContact CG-CB 4.1Å; F162-P178 HydrophobicContact CG-CG 4.16Å; P178-D180 VanDerWaalsContact C-N 3.34Å
179S94.8Very high97Very high106 Ų10659.2 Ų59.274%0.74133%0.33SS*.THydrogen-bonded Turntrans-84.2-3.4179.962.10000114.3K177K177-S179 PolarHBondContact O-N 2.98Å; K177-S179 VanDerWaalsContact O-N 3.15Å
180D97.2Very high96.8Very high55 Ų5561.6 Ų61.629%0.29433%0.33SS..  trans-69.5131.5179.3-67-17.5000110Y175 V176 K177 P178 Q182Y175-D180 HydrophobicContact CD1-CB 3.95Å; Y175-D180 WeakPolarHBondContact CD1-O 3.35Å; Y175-D180 WeakPolarHBondContact CE1-O 3.43Å; V176-D180 WeakPolarHBondContact CA-OD2 3.42Å; V176-D180 VanDerWaalsContact CB-OD2 3.31Å; V176-D180 WeakPolarHBondContact CB-OD2 3.25Å; V176-D180 PolarHBondContact N-OD2 3.39Å; K177-D180 PolarHBondContact N-OD2 2.94Å; K177-D180 WeakPolarHBondContact O-CB 3.46Å; K177-D180 PolarHBondContact O-N 2.95Å; K177-D180 VanDerWaalsContact O-N 3.11Å; P178-D180 VanDerWaalsContact C-N 3.34Å; D180-Q182 VanDerWaalsContact C-N 3.31Å; D180-Q182 PolarHBondContact O-N 2.82Å
181S95.5Very high96.6Very high112 Ų11267.1 Ų67.178%0.78335%0.348SS*.SBendtrans-72.5-21.7-178.559.90000114.1
182Q97.2Very high96.6Very high142 Ų14265.1 Ų65.166%0.66434%0.341SS*.SBendtrans-130.4140.6-177.5-67.5-62.3-35.600110.7Y175 D180Y175-Q182 WeakPolarHBondContact CD1-O 3.24Å; D180-Q182 VanDerWaalsContact C-N 3.31Å; D180-Q182 PolarHBondContact O-N 2.82Å
183P98Very high96.5Very high34 Ų3465.1 Ų65.122%0.22134%0.341CS..  trans-65.7141.2178.628.5-35.1000110.1R173 Y174 Y175 Q185R173-P183 HydrophobicContact CB-CB 3.96Å; R173-P183 HydrophobicContact CG-CB 4.17Å; Y174-P183 CarbonylContact O-C 3.57Å; Y175-P183 HydrophobicContact CD1-CB 4.33Å; Y175-P183 VanDerWaalsContact CE1-CA 3.48Å; Y175-P183 HydrophobicContact CE1-CB 3.97Å; Y175-P183 HydrophobicContact CE2-CB 4.14Å; P183-Q185 PolarHBondContact O-N 2.78Å
184K97.5Very high96.5Very high142 Ų14262.2 Ų62.262%0.61733%0.33SS*.SBendtrans-64.5-34.2171.3-178.658.1178.2-179.60111.2Y174 V176Y174-K184 HydrophobicContact CD2-CB 4.08Å; Y174-K184 HydrophobicContact CE2-CB 3.59Å; Y174-K184 HydrophobicContact CE2-CG 3.66Å; Y174-K184 PolarHBondContact O-N 2.95Å; V176-K184 HydrophobicContact CG2-CB 4.04Å; V176-K184 HydrophobicContact CG2-CD 4.27Å; V176-K184 HydrophobicContact CG2-CG 4.08Å
185Q97.2Very high96.4Very high30 Ų3061.7 Ų61.714%0.1433%0.328CS..EExtended strand (participates in β ladder)trans-156.2138.9175-173.4161.513.900110.4R173 Y174 P183 L187 F213 R220R173-Q185 CarbonylContact C-O 3.59Å; R173-Q185 WeakPolarHBondContact CA-O 3.41Å; R173-Q185 VanDerWaalsContact CB-O 3.31Å; R173-Q185 WeakPolarHBondContact CB-O 3.43Å; Y174-Q185 HydrophobicContact CD1-CB 4.07Å; Y174-Q185 HydrophobicContact CE1-CB 3.51Å; Y174-Q185 HydrophobicContact CE1-CG 4.4Å; Y174-Q185 PolarHBondContact N-O 2.87Å; Y174-Q185 PolarHBondContact O-N 3.39Å; P183-Q185 PolarHBondContact O-N 2.78Å; Q185-L187 HydrophobicContact CG-CD2 3.76Å; Q185-F213 VanDerWaalsContact NE2-CE2 3.26Å; Q185-R220 VanDerWaalsContact CD-NH1 3.29Å
186S97.8Very high96.2Very high69 Ų6961.5 Ų61.548%0.48333%0.327SS..EExtended strand (participates in β ladder)trans-114.1131169.6-169.10000109.5
187L98Very high96Very high7 Ų759.2 Ų59.24%0.03731%0.313CS..EExtended strand (participates in β ladder)trans-111.3139.2178.4-51.7-175.8000109.7Y171 L172 Q185 L189 L192 I211 F213 M222Y171-L187 CarbonylContact C-O 3.58Å; Y171-L187 VanDerWaalsContact CA-O 3.22Å; Y171-L187 WeakPolarHBondContact CA-O 3.23Å; L172-L187 PolarHBondContact N-O 2.74Å; L172-L187 WeakPolarHBondContact O-CA 3.12Å; L172-L187 VanDerWaalsContact O-CB 3.25Å; L172-L187 WeakPolarHBondContact O-CB 3.22Å; L172-L187 WeakPolarHBondContact O-CG 3.4Å; L172-L187 PolarHBondContact O-N 2.88Å; Q185-L187 HydrophobicContact CG-CD2 3.76Å; L187-L189 PolarHBondContact O-N 3.27Å; L187-L192 HydrophobicContact CB-CD2 3.87Å; L187-L192 HydrophobicContact CD1-CD2 4.21Å; L187-I211 HydrophobicContact CD1-CG2 3.99Å; L187-F213 HydrophobicContact CD1-CD1 3.9Å; L187-F213 HydrophobicContact CD1-CE1 3.88Å; L187-F213 HydrophobicContact CD1-CG 4.42Å; L187-F213 HydrophobicContact CD1-CZ 4.38Å; L187-F213 HydrophobicContact CD2-CD1 4.05Å; L187-F213 HydrophobicContact CD2-CD2 3.71Å; L187-F213 HydrophobicContact CD2-CE1 3.83Å; L187-F213 HydrophobicContact CD2-CE2 3.45Å; L187-F213 VanDerWaalsContact CD2-CE2 3.45Å; L187-F213 HydrophobicContact CD2-CG 3.99Å; L187-F213 HydrophobicContact CD2-CZ 3.5Å; L187-F213 VanDerWaalsContact CD2-CZ 3.5Å; L187-M222 HydrophobicContact CD1-CE 3.41Å; L187-M222 VanDerWaalsContact CD1-CE 3.41Å
188D96.3Very high95.8Very high61 Ų6155.5 Ų55.533%0.32630%0.303SS..EExtended strand (participates in β ladder)trans-65.7114.2169.6-176.5-28.1000109.8N170 E190 R191 L192N170-D188 PolarHBondContact ND2-OD1 3.5Å; D188-E190 VanDerWaalsContact C-N 3.32Å; D188-E190 PolarHBondContact O-N 2.74Å; D188-E190 VanDerWaalsContact OD1-CB 3.32Å; D188-E190 WeakPolarHBondContact OD1-CB 3.23Å; D188-E190 PolarHBondContact OD1-N 2.98Å; D188-R191 HydrophobicContact CB-CB 4.12Å; D188-R191 HydrophobicContact CB-CG 4.31Å; D188-R191 PolarHBondContact O-N 3.19Å; D188-R191 PolarHBondContact OD1-N 2.66Å; D188-R191 WeakPolarHBondContact OD2-CD 3.41Å; D188-R191 WeakPolarHBondContact OD2-CG 3.26Å; D188-L192 PolarHBondContact O-N 3.43Å
189L96.7Very high95.6Very high0 Ų052.7 Ų52.70%029%0.285CS..THydrogen-bonded Turntrans-63.8-38.6-176.1176.259.1000112L165 N170 L187 R191 L192 I239 K243L165-L189 HydrophobicContact CD1-CD1 3.41Å; L165-L189 VanDerWaalsContact CD1-CD1 3.41Å; L165-L189 HydrophobicContact CD1-CD2 3.54Å; L165-L189 HydrophobicContact CD1-CG 4.06Å; L165-L189 HydrophobicContact CG-CD2 4.48Å; N170-L189 PolarHBondContact O-N 3.48Å; N170-L189 VanDerWaalsContact O-N 3.13Å; L187-L189 PolarHBondContact O-N 3.27Å; L189-R191 VanDerWaalsContact C-N 3.29Å; L189-R191 PolarHBondContact O-N 3.01Å; L189-L192 HydrophobicContact CD1-CD2 4.42Å; L189-I239 HydrophobicContact CD1-CB 4.27Å; L189-I239 HydrophobicContact CD1-CG1 4.14Å; L189-I239 HydrophobicContact CD1-CG2 3.9Å; L189-K243 WeakPolarHBondContact O-CE 3.29Å; L189-K243 WeakPolarHBondContact O-CG 3.24Å; L189-K243 PolarHBondContact O-NZ 2.76Å
190E93Very high95.4Very high92 Ų9256.5 Ų56.543%0.4329%0.289SS..THydrogen-bonded Turntrans-63.1-38.3177.8-170.8178.3151.600111N170 D188 K243 R246N170-E190 WeakPolarHBondContact OD1-CB 2.96Å; N170-E190 PolarHBondContact OD1-N 2.74Å; N170-E190 VanDerWaalsContact OD1-N 3.12Å; D188-E190 VanDerWaalsContact C-N 3.32Å; D188-E190 PolarHBondContact O-N 2.74Å; D188-E190 VanDerWaalsContact OD1-CB 3.32Å; D188-E190 WeakPolarHBondContact OD1-CB 3.23Å; D188-E190 PolarHBondContact OD1-N 2.98Å; E190-K243 PolarHBondContact O-NZ 2.86Å; E190-R246 HydrophobicContact CB-CB 4.47Å; E190-R246 HydrophobicContact CB-CG 4.36Å; E190-R246 HydrophobicContact CG-CB 4.14Å; E190-R246 IonicContact OE2-CZ 2.73Å; E190-R246 IonicContact OE2-NE 2.68Å; E190-R246 PolarHBondContact OE2-NE 2.95Å; E190-R246 IonicContact OE2-NH2 3.8Å; E190-R246 PolarHBondContact OE2-NH2 2.77Å
191R92.7Very high95.1Very high147 Ų14758.2 Ų58.256%0.55530%0.298SS*.THydrogen-bonded Turntrans-93.9-25.7-170.6-61.8179.973179.12115.5D188 L189D188-R191 HydrophobicContact CB-CB 4.12Å; D188-R191 HydrophobicContact CB-CG 4.31Å; D188-R191 PolarHBondContact O-N 3.19Å; D188-R191 PolarHBondContact OD1-N 2.66Å; D188-R191 WeakPolarHBondContact OD2-CD 3.41Å; D188-R191 WeakPolarHBondContact OD2-CG 3.26Å; L189-R191 VanDerWaalsContact C-N 3.29Å; L189-R191 PolarHBondContact O-N 3.01Å
192L96.8Very high95Very high2 Ų253.4 Ų53.41%0.0126%0.263CS..  trans-64.8151.6178.26783.7000111.4L172 L187 D188 L189 F194 I211 Q212 F213 I239 K243L172-L192 HydrophobicContact CB-CD2 3.82Å; L172-L192 HydrophobicContact CD2-CD2 3.99Å; L187-L192 HydrophobicContact CB-CD2 3.87Å; L187-L192 HydrophobicContact CD1-CD2 4.21Å; D188-L192 PolarHBondContact O-N 3.43Å; L189-L192 HydrophobicContact CD1-CD2 4.42Å; L192-F194 HydrophobicContact CD1-CB 4.38Å; L192-I211 HydrophobicContact CB-CG2 4.19Å; L192-I211 HydrophobicContact CD1-CG2 4.41Å; L192-Q212 CarbonylContact C-O 3.57Å; L192-Q212 WeakPolarHBondContact CA-O 3.25Å; L192-F213 HydrophobicContact CB-CB 4.24Å; L192-I239 HydrophobicContact CD1-CG2 3.96Å; L192-K243 WeakPolarHBondContact O-CE 3.49Å; L192-K243 PolarHBondContact O-NZ 2.94Å
193N97.3Very high94.9Very high3 Ų349.9 Ų49.92%0.01626%0.264CS..EExtended strand (participates in β ladder)trans-106141.4164.7-172.745.7000108.6I211 Q212 R269 L296N193-I211 CarbonylContact O-C 3.55Å; N193-I211 WeakPolarHBondContact O-CA 3.46Å; N193-Q212 HydrophobicContact CB-CB 4.29Å; N193-Q212 PolarHBondContact N-O 2.81Å; N193-Q212 PolarHBondContact ND2-OE1 3.24Å; N193-Q212 PolarHBondContact O-N 3.05Å; N193-R269 PolarHBondContact ND2-O 3.16Å; N193-R269 PolarHBondContact OD1-N 3.2Å; N193-R269 PolarHBondContact OD1-O 3.46Å; N193-L296 WeakPolarHBondContact ND2-CD2 3.27Å
194F97.6Very high94.7Very high1 Ų149 Ų490%0.00426%0.257CS..EExtended strand (participates in β ladder)trans-124.9122.4171.8-170.2-61.3000107.2L192 F196 A209 I211 I224 I232 Y236 I239 T268L192-F194 HydrophobicContact CD1-CB 4.38Å; F194-F196 HydrophobicContact CE1-CE1 4.06Å; F194-F196 HydrophobicContact CE1-CZ 4.26Å; F194-A209 HydrophobicContact CD1-CB 3.9Å; F194-A209 HydrophobicContact CE1-CB 3.17Å; F194-A209 HydrophobicContact CE2-CB 4.46Å; F194-A209 HydrophobicContact CZ-CB 3.52Å; F194-I211 HydrophobicContact CB-CG1 4.48Å; F194-I211 HydrophobicContact CD2-CD1 3.8Å; F194-I211 HydrophobicContact CD2-CG1 3.56Å; F194-I211 HydrophobicContact CE2-CD1 4.12Å; F194-I211 HydrophobicContact CE2-CG1 4.16Å; F194-I211 HydrophobicContact CG-CG1 4.16Å; F194-I224 HydrophobicContact CD2-CD1 4.06Å; F194-I224 HydrophobicContact CE2-CD1 3.25Å; F194-I224 HydrophobicContact CE2-CG1 4.39Å; F194-I224 HydrophobicContact CZ-CD1 3.71Å; F194-I232 HydrophobicContact CZ-CD1 3.85Å; F194-I232 HydrophobicContact CZ-CG1 4.13Å; F194-Y236 HydrophobicContact CB-CD2 4.3Å; F194-Y236 AromaticContact CD1-CD2 3.31Å; F194-Y236 HydrophobicContact CD1-CD2 3.31Å; F194-Y236 HydrophobicContact CD1-CE2 4.03Å; F194-Y236 HydrophobicContact CD1-CG 4.16Å; F194-Y236 AromaticContact CE1-CD2 3.73Å; F194-Y236 HydrophobicContact CE1-CD2 3.73Å; F194-Y236 HydrophobicContact CE1-CG 4.13Å; F194-Y236 AromaticContact CG-CD2 3.98Å; F194-Y236 HydrophobicContact CG-CD2 3.98Å; F194-Y236 WeakPolarHBondContact O-CE2 3.38Å; F194-I239 HydrophobicContact CB-CG2 4.38Å; F194-I239 HydrophobicContact CD2-CD1 3.32Å; F194-I239 HydrophobicContact CE2-CD1 3.64Å; F194-I239 HydrophobicContact CG-CD1 4.26Å; F194-T268 WeakPolarHBondContact O-CB 3.44Å
195T96Very high94.5Very high1 Ų144.7 Ų44.71%0.00624%0.244CC..EExtended strand (participates in β ladder)trans-136.6146.6179.3-175.30000110.8I197 A209 L210 R269 D270 V271 L296T195-I197 HydrophobicContact CG2-CG2 4.26Å; T195-A209 CarbonylContact O-C 3.55Å; T195-A209 WeakPolarHBondContact O-CA 3.48Å; T195-A209 WeakPolarHBondContact O-CB 3.29Å; T195-L210 HydrophobicContact CG2-CB 4.02Å; T195-L210 HydrophobicContact CG2-CD2 4.41Å; T195-L210 HydrophobicContact CG2-CG 4.44Å; T195-L210 PolarHBondContact N-O 3.2Å; T195-L210 PolarHBondContact O-N 2.98Å; T195-R269 WeakPolarHBondContact CB-O 3.25Å; T195-D270 WeakPolarHBondContact OG1-CA 3.39Å; T195-V271 HydrophobicContact CG2-CG2 4.07Å; T195-L296 HydrophobicContact CG2-CD2 4.33Å
196F94.6Very high94.2Very high11 Ų1146.9 Ų46.95%0.04826%0.261CS..EExtended strand (participates in β ladder)trans-76.2151.6164.6-62.4-63.8000109.9P109 F111 L112 F194 A209 I232 I233 Y236P109-F196 HydrophobicContact CG-CB 3.91Å; F111-F196 AromaticContact CE2-CD1 3.9Å; F111-F196 HydrophobicContact CE2-CD1 3.9Å; F111-F196 AromaticContact CE2-CE1 3.8Å; F111-F196 HydrophobicContact CE2-CE1 3.8Å; F111-F196 HydrophobicContact CE2-CG 4.36Å; F111-F196 HydrophobicContact CE2-CZ 4.22Å; F111-F196 HydrophobicContact CZ-CB 4.17Å; F111-F196 AromaticContact CZ-CD1 3.43Å; F111-F196 HydrophobicContact CZ-CD1 3.43Å; F111-F196 VanDerWaalsContact CZ-CD1 3.43Å; F111-F196 HydrophobicContact CZ-CD2 4.5Å; F111-F196 AromaticContact CZ-CE1 3.84Å; F111-F196 HydrophobicContact CZ-CE1 3.84Å; F111-F196 AromaticContact CZ-CG 3.78Å; F111-F196 HydrophobicContact CZ-CG 3.78Å; L112-F196 HydrophobicContact CD1-CD2 3.56Å; L112-F196 HydrophobicContact CD1-CE2 3.59Å; F194-F196 HydrophobicContact CE1-CE1 4.06Å; F194-F196 HydrophobicContact CE1-CZ 4.26Å; F196-A209 HydrophobicContact CD1-CB 3.88Å; F196-A209 HydrophobicContact CE1-CB 4.12Å; F196-I232 HydrophobicContact CE1-CG1 3.89Å; F196-I232 HydrophobicContact CE1-CG2 4.06Å; F196-I233 HydrophobicContact CE2-CG1 4.39Å; F196-I233 HydrophobicContact CZ-CG1 3.8Å; F196-Y236 AromaticContact CE2-CD1 3.52Å; F196-Y236 HydrophobicContact CE2-CD1 3.52Å; F196-Y236 HydrophobicContact CE2-CD2 4.23Å; F196-Y236 AromaticContact CE2-CE1 3.79Å; F196-Y236 HydrophobicContact CE2-CE1 3.79Å; F196-Y236 HydrophobicContact CE2-CE2 4.47Å; F196-Y236 AromaticContact CE2-CG 3.72Å; F196-Y236 HydrophobicContact CE2-CG 3.72Å; F196-Y236 AromaticContact CZ-CD1 3.98Å; F196-Y236 HydrophobicContact CZ-CD1 3.98Å; F196-Y236 HydrophobicContact CZ-CD2 4.49Å; F196-Y236 AromaticContact CZ-CG 3.84Å; F196-Y236 HydrophobicContact CZ-CG 3.84Å
197I93.5Very high94Very high10 Ų1045.1 Ų45.15%0.05125%0.245CC..  trans-132.8156.9-177.655.1171.5000109.9T195 S199 Y202 L204 T208 L210 F223 V271T195-I197 HydrophobicContact CG2-CG2 4.26Å; I197-S199 PolarHBondContact O-N 3.31Å; I197-S199 VanDerWaalsContact O-N 3.16Å; I197-Y202 HydrophobicContact CB-CD2 4.07Å; I197-Y202 HydrophobicContact CB-CE2 4Å; I197-Y202 HydrophobicContact CD1-CD1 4.01Å; I197-Y202 HydrophobicContact CD1-CD2 4.17Å; I197-Y202 HydrophobicContact CD1-CE1 4.43Å; I197-Y202 HydrophobicContact CD1-CG 3.88Å; I197-Y202 HydrophobicContact CG2-CE2 4.3Å; I197-L204 HydrophobicContact CD1-CD1 3.87Å; I197-T208 HydrophobicContact CD1-CG2 4.28Å; I197-L210 HydrophobicContact CD1-CB 4.32Å; I197-L210 HydrophobicContact CG2-CB 3.75Å; I197-L210 HydrophobicContact CG2-CD2 4.32Å; I197-F223 HydrophobicContact CD1-CD1 3.68Å; I197-F223 HydrophobicContact CD1-CE1 3.7Å; I197-V271 HydrophobicContact CG2-CG2 4.35Å
198S90.5Very high93.8Very high49 Ų4944.8 Ų44.834%0.34324%0.243SC..  trans-66.9109.8174.7172.70000110.5K200 D201 Y202S198-K200 PolarHBondContact O-N 2.73Å; S198-D201 WeakPolarHBondContact CB-OD2 3.31Å; S198-D201 PolarHBondContact O-N 3.13Å; S198-D201 PolarHBondContact OG-N 2.89Å; S198-D201 PolarHBondContact OG-OD2 3.48Å; S198-Y202 VanDerWaalsContact O-CD2 3.28Å; S198-Y202 WeakPolarHBondContact O-CD2 3.49Å; S198-Y202 PolarHBondContact O-N 3.23Å; S198-Y202 VanDerWaalsContact O-N 3.16Å
199S89Confident93.9Very high32 Ų3241.9 Ų41.922%0.22423%0.228CC..Hα-helixtrans-53.6-37.5174.1-72.20000112I197 G203 L204 P205 P206I197-S199 PolarHBondContact O-N 3.31Å; I197-S199 VanDerWaalsContact O-N 3.16Å; S199-G203 WeakPolarHBondContact O-CA 3.46Å; S199-G203 PolarHBondContact O-N 3.08Å; S199-L204 WeakPolarHBondContact CB-O 3.5Å; S199-L204 PolarHBondContact O-N 3.3Å; S199-P205 PolarHBondContact OG-O 2.96Å; S199-P206 WeakPolarHBondContact OG-CA 3.36Å
200K90.7Very high93.9Very high186 Ų18641.9 Ų41.981%0.80923%0.228SC*.Hα-helixtrans-64.9-51.9178.4-177.1-176.5177.1-175.70111.8S198 Y202 G203S198-K200 PolarHBondContact O-N 2.73Å; K200-Y202 VanDerWaalsContact C-N 3.28Å; K200-Y202 PolarHBondContact O-N 3.22Å; K200-G203 PolarHBondContact O-N 3.23Å
201D92.1Very high94.2Very high91 Ų9137.5 Ų37.549%0.48721%0.207SC..Hα-helixtrans-70.5-28.6-172.7-58.1-33.1000112.4S198 W292S198-D201 WeakPolarHBondContact CB-OD2 3.31Å; S198-D201 PolarHBondContact O-N 3.13Å; S198-D201 PolarHBondContact OG-N 2.89Å; S198-D201 PolarHBondContact OG-OD2 3.48Å; D201-W292 HydrophobicContact CB-CH2 4.09Å
202Y93.6Very high94.4Very high12 Ų1231 Ų315%0.04718%0.183CC..Hα-helixtrans-92.1-7.2177.7-73.2-101.4000113.3I197 S198 K200 L204 F223 W292 M294 P306 L307I197-Y202 HydrophobicContact CB-CD2 4.07Å; I197-Y202 HydrophobicContact CB-CE2 4Å; I197-Y202 HydrophobicContact CD1-CD1 4.01Å; I197-Y202 HydrophobicContact CD1-CD2 4.17Å; I197-Y202 HydrophobicContact CD1-CE1 4.43Å; I197-Y202 HydrophobicContact CD1-CG 3.88Å; I197-Y202 HydrophobicContact CG2-CE2 4.3Å; S198-Y202 VanDerWaalsContact O-CD2 3.28Å; S198-Y202 WeakPolarHBondContact O-CD2 3.49Å; S198-Y202 PolarHBondContact O-N 3.23Å; S198-Y202 VanDerWaalsContact O-N 3.16Å; K200-Y202 VanDerWaalsContact C-N 3.28Å; K200-Y202 PolarHBondContact O-N 3.22Å; Y202-L204 VanDerWaalsContact C-N 3.3Å; Y202-L204 PolarHBondContact O-N 3.07Å; Y202-F223 AromaticContact CD1-CE1 3.91Å; Y202-F223 HydrophobicContact CD1-CE1 3.91Å; Y202-F223 HydrophobicContact CD1-CZ 4.39Å; Y202-F223 HydrophobicContact CE1-CE1 4.19Å; Y202-W292 HydrophobicContact CD2-CZ2 4.46Å; Y202-W292 HydrophobicContact CE1-CZ2 4.45Å; Y202-W292 AromaticContact CE1-NE1 3.72Å; Y202-W292 AromaticContact CE2-CZ2 3.92Å; Y202-W292 HydrophobicContact CE2-CZ2 3.92Å; Y202-W292 AromaticContact CZ-CZ2 3.89Å; Y202-W292 AromaticContact CZ-NE1 3.6Å; Y202-W292 PolarHBondContact OH-NE1 2.71Å; Y202-M294 HydrophobicContact CE1-SD 4.5Å; Y202-M294 WeakPolarHBondContact OH-CE 3.47Å; Y202-M294 PolarHBondContact OH-SD 3.22Å; Y202-P306 HydrophobicContact CD1-CB 3.78Å; Y202-P306 HydrophobicContact CE1-CB 4.11Å; Y202-P306 WeakPolarHBondContact CE1-O 3.22Å; Y202-P306 HydrophobicContact CG-CB 4.42Å; Y202-L307 HydrophobicContact CD1-CD2 4.19Å
203G93.5Very high94.3Very high67 Ų6731.9 Ų31.969%0.69119%0.187SC*.THydrogen-bonded Turntrans59.939.5-17400000112.6S199 K200S199-G203 WeakPolarHBondContact O-CA 3.46Å; S199-G203 PolarHBondContact O-N 3.08Å; K200-G203 PolarHBondContact O-N 3.23Å
204L93.9Very high94.1Very high16 Ų1636 Ų368%0.08421%0.212CC..  trans-116157-176.8-67.1177.4000111.6F158 I197 S199 Y202 T208 F223 L307F158-L204 HydrophobicContact CE2-CD2 3.93Å; F158-L204 HydrophobicContact CZ-CD2 4.1Å; I197-L204 HydrophobicContact CD1-CD1 3.87Å; S199-L204 WeakPolarHBondContact CB-O 3.5Å; S199-L204 PolarHBondContact O-N 3.3Å; Y202-L204 VanDerWaalsContact C-N 3.3Å; Y202-L204 PolarHBondContact O-N 3.07Å; L204-T208 HydrophobicContact CB-CG2 4.33Å; L204-T208 HydrophobicContact CD1-CG2 3.77Å; L204-F223 HydrophobicContact CD1-CB 4.5Å; L204-F223 HydrophobicContact CD1-CD1 3.57Å; L204-F223 HydrophobicContact CD1-CE1 4.07Å; L204-F223 HydrophobicContact CD1-CG 4.19Å; L204-L307 HydrophobicContact CD1-CD2 3.6Å; L204-L307 HydrophobicContact CD2-CD1 3.93Å; L204-L307 HydrophobicContact CD2-CD2 3.8Å; L204-L307 HydrophobicContact CG-CD2 3.78Å
205P93.1Very high93.7Very high52 Ų5238.3 Ų38.334%0.33822%0.223SC..  trans-58.5162.5173.4-22.934.2000112.9S199 T208S199-P205 PolarHBondContact OG-O 2.96Å; P205-T208 WeakPolarHBondContact O-CB 3.43Å; P205-T208 PolarHBondContact O-OG1 3.25Å
206P90.9Very high93.3Very high75 Ų7544.3 Ų44.349%0.48726%0.255SS..THydrogen-bonded Turntrans-60.2166.9170.327.9-35.5000112S199 T208 R225S199-P206 WeakPolarHBondContact OG-CA 3.36Å; P206-T208 PolarHBondContact O-N 2.9Å; P206-R225 PolarHBondContact O-NH1 3.49Å
207H93.4Very high92.8Very high33 Ų3348.2 Ų48.215%0.15328%0.283CS..THydrogen-bonded Turntrans61.725.1178.9-41.7143.3000113.3F111 R225 S226 E227 I232F111-H207 AromaticContact CG-CD2 3.97Å; H207-R225 VanDerWaalsContact O-CA 3.26Å; H207-R225 WeakPolarHBondContact O-CA 3.34Å; H207-R225 VanDerWaalsContact O-CB 3.27Å; H207-R225 WeakPolarHBondContact O-CB 3.4Å; H207-S226 WeakPolarHBondContact CB-O 3.31Å; H207-E227 PolarHBondContact CE1-O 3.49Å; H207-E227 PolarHBondContact ND1-O 3.41Å; H207-I232 HydrophobicContact CB-CG2 4Å
208T95.6Very high92.6Very high0 Ų048.5 Ų48.50%029%0.286CS..EExtended strand (participates in β ladder)trans-94.9134.5179.4-56.50000111F158 I197 L204 P205 P206 F223 I224 R225F158-T208 HydrophobicContact CE1-CG2 4.5Å; F158-T208 HydrophobicContact CZ-CG2 4.21Å; I197-T208 HydrophobicContact CD1-CG2 4.28Å; L204-T208 HydrophobicContact CB-CG2 4.33Å; L204-T208 HydrophobicContact CD1-CG2 3.77Å; P205-T208 WeakPolarHBondContact O-CB 3.43Å; P205-T208 PolarHBondContact O-OG1 3.25Å; P206-T208 PolarHBondContact O-N 2.9Å; T208-F223 HydrophobicContact CG2-CB 4.48Å; T208-I224 CarbonylContact C-O 3.48Å; T208-I224 WeakPolarHBondContact CA-O 3.34Å; T208-R225 HydrophobicContact CG2-CB 4.46Å
209A97Very high92.8Very high0 Ų046.6 Ų46.60%027%0.272CS..EExtended strand (participates in β ladder)trans-121.8155.3173.800000111F194 T195 F196 F223 I224 I232F194-A209 HydrophobicContact CD1-CB 3.9Å; F194-A209 HydrophobicContact CE1-CB 3.17Å; F194-A209 HydrophobicContact CE2-CB 4.46Å; F194-A209 HydrophobicContact CZ-CB 3.52Å; T195-A209 CarbonylContact O-C 3.55Å; T195-A209 WeakPolarHBondContact O-CA 3.48Å; T195-A209 WeakPolarHBondContact O-CB 3.29Å; F196-A209 HydrophobicContact CD1-CB 3.88Å; F196-A209 HydrophobicContact CE1-CB 4.12Å; A209-F223 WeakPolarHBondContact O-CA 3.34Å; A209-I224 HydrophobicContact CB-CG1 4.25Å; A209-I224 PolarHBondContact N-O 3.34Å; A209-I224 PolarHBondContact O-N 3.21Å; A209-I232 HydrophobicContact CB-CD1 4.45Å; A209-I232 HydrophobicContact CB-CG1 4.35Å
210L97.7Very high93.1Very high0 Ų046.2 Ų46.20%027%0.265CS..EExtended strand (participates in β ladder)trans-106.2122.5173.317262000109.1T195 I197 Q212 H221 F223 M294T195-L210 HydrophobicContact CG2-CB 4.02Å; T195-L210 HydrophobicContact CG2-CD2 4.41Å; T195-L210 HydrophobicContact CG2-CG 4.44Å; T195-L210 PolarHBondContact N-O 3.2Å; T195-L210 PolarHBondContact O-N 2.98Å; I197-L210 HydrophobicContact CD1-CB 4.32Å; I197-L210 HydrophobicContact CG2-CB 3.75Å; I197-L210 HydrophobicContact CG2-CD2 4.32Å; L210-Q212 HydrophobicContact CD1-CG 4.21Å; L210-Q212 HydrophobicContact CD2-CG 3.8Å; L210-Q212 HydrophobicContact CG-CG 3.75Å; L210-H221 HydrophobicContact CD1-CB 3.62Å; L210-F223 HydrophobicContact CD1-CD1 4.21Å; L210-F223 HydrophobicContact CD1-CE1 3.91Å; L210-F223 HydrophobicContact CD1-CE2 4.43Å; L210-F223 HydrophobicContact CD1-CZ 4.02Å; L210-M294 HydrophobicContact CD2-CE 3.96Å
211I98.3Very high93.4Very high0 Ų037.7 Ų37.70%023%0.228CC..EExtended strand (participates in β ladder)trans-95127.1163.5-63.1175.9000108.6L172 L187 L192 N193 F194 F213 M222 I224L172-I211 HydrophobicContact CD2-CD1 3.7Å; L187-I211 HydrophobicContact CD1-CG2 3.99Å; L192-I211 HydrophobicContact CB-CG2 4.19Å; L192-I211 HydrophobicContact CD1-CG2 4.41Å; N193-I211 CarbonylContact O-C 3.55Å; N193-I211 WeakPolarHBondContact O-CA 3.46Å; F194-I211 HydrophobicContact CB-CG1 4.48Å; F194-I211 HydrophobicContact CD2-CD1 3.8Å; F194-I211 HydrophobicContact CD2-CG1 3.56Å; F194-I211 HydrophobicContact CE2-CD1 4.12Å; F194-I211 HydrophobicContact CE2-CG1 4.16Å; F194-I211 HydrophobicContact CG-CG1 4.16Å; I211-F213 HydrophobicContact CG2-CD1 3.99Å; I211-M222 HydrophobicContact CB-CB 4.33Å; I211-M222 HydrophobicContact CB-CE 3.93Å; I211-M222 HydrophobicContact CD1-CE 3.72Å; I211-M222 HydrophobicContact CG1-CE 4.39Å; I211-M222 HydrophobicContact CG2-CE 3.95Å; I211-M222 PolarHBondContact N-O 2.94Å; I211-M222 PolarHBondContact O-N 3.46Å; I211-I224 HydrophobicContact CD1-CD1 3.32Å; I211-I224 HydrophobicContact CD1-CG1 4.04Å; I211-I224 HydrophobicContact CG1-CD1 3.8Å; I211-I224 HydrophobicContact CG1-CG1 4.16Å
212Q97.2Very high93.7Very high11 Ų1133.6 Ų33.65%0.05121%0.206CC..EExtended strand (participates in β ladder)trans-115.3134.1172.9-54177.5-67.200110.7L192 N193 L210 T219 R220 H221L192-Q212 CarbonylContact C-O 3.57Å; L192-Q212 WeakPolarHBondContact CA-O 3.25Å; N193-Q212 HydrophobicContact CB-CB 4.29Å; N193-Q212 PolarHBondContact N-O 2.81Å; N193-Q212 PolarHBondContact ND2-OE1 3.24Å; N193-Q212 PolarHBondContact O-N 3.05Å; L210-Q212 HydrophobicContact CD1-CG 4.21Å; L210-Q212 HydrophobicContact CD2-CG 3.8Å; L210-Q212 HydrophobicContact CG-CG 3.75Å; Q212-T219 HydrophobicContact CB-CG2 4.27Å; Q212-R220 WeakPolarHBondContact CA-O 3.47Å; Q212-H221 PolarHBondContact NE2-NE2 2.98Å
213F95.2Very high93.9Very high19 Ų1933.2 Ų33.28%0.08321%0.205CC..EExtended strand (participates in β ladder)trans-153.2162.8176.458.6-81.9000109.8Q185 L187 L192 I211 Q215 R220 M222Q185-F213 VanDerWaalsContact NE2-CE2 3.26Å; L187-F213 HydrophobicContact CD1-CD1 3.9Å; L187-F213 HydrophobicContact CD1-CE1 3.88Å; L187-F213 HydrophobicContact CD1-CG 4.42Å; L187-F213 HydrophobicContact CD1-CZ 4.38Å; L187-F213 HydrophobicContact CD2-CD1 4.05Å; L187-F213 HydrophobicContact CD2-CD2 3.71Å; L187-F213 HydrophobicContact CD2-CE1 3.83Å; L187-F213 HydrophobicContact CD2-CE2 3.45Å; L187-F213 VanDerWaalsContact CD2-CE2 3.45Å; L187-F213 HydrophobicContact CD2-CG 3.99Å; L187-F213 HydrophobicContact CD2-CZ 3.5Å; L187-F213 VanDerWaalsContact CD2-CZ 3.5Å; L192-F213 HydrophobicContact CB-CB 4.24Å; I211-F213 HydrophobicContact CG2-CD1 3.99Å; F213-Q215 HydrophobicContact CD2-CB 4.19Å; F213-Q215 HydrophobicContact CE2-CB 3.91Å; F213-R220 HydrophobicContact CD2-CB 4.37Å; F213-R220 HydrophobicContact CE1-CB 4.29Å; F213-R220 HydrophobicContact CE1-CG 4.2Å; F213-R220 HydrophobicContact CE2-CB 4.01Å; F213-R220 HydrophobicContact CE2-CG 4.23Å; F213-R220 HydrophobicContact CZ-CB 3.99Å; F213-R220 VanDerWaalsContact CZ-CD 3.49Å; F213-R220 HydrophobicContact CZ-CG 3.8Å; F213-R220 PolarHBondContact N-O 3.22Å; F213-R220 VanDerWaalsContact N-O 3.15Å; F213-R220 PolarHBondContact O-N 2.99Å; F213-M222 HydrophobicContact CE1-CB 4.12Å; F213-M222 HydrophobicContact CE1-CE 4.16Å
214V91.9Very high94.1Very high91 Ų9130.1 Ų30.155%0.55217%0.172SC*.EExtended strand (participates in β ladder)trans-85.5128.8176.9-179.20000109.2S218V214-S218 CarbonylContact C-O 3.57Å; V214-S218 WeakPolarHBondContact CA-O 3.26Å
215Q90.6Very high94.2Very high48 Ų4830.4 Ų30.422%0.22417%0.172CC..EExtended strand (participates in β ladder)trans-143136.1171.3172.6176.4-23.700109F213 C217 S218 R220 F310F213-Q215 HydrophobicContact CD2-CB 4.19Å; F213-Q215 HydrophobicContact CE2-CB 3.91Å; Q215-C217 PolarHBondContact O-N 3.29Å; Q215-S218 PolarHBondContact N-O 2.7Å; Q215-S218 CarbonylContact O-C 3.54Å; Q215-S218 WeakPolarHBondContact O-CA 3.36Å; Q215-S218 PolarHBondContact O-N 3.06Å; Q215-R220 HydrophobicContact CB-CB 4.15Å; Q215-F310 HydrophobicContact CB-CE1 4.47Å; Q215-F310 HydrophobicContact CG-CE1 4.47Å
216D86.7Confident94.4Very high127 Ų12728.1 Ų28.168%0.67916%0.158SC*.THydrogen-bonded Turntrans53.246.4179.6-51.1-36.6000111.1S218D216-S218 PolarHBondContact O-N 3.28Å
217C83.8Confident94.6Very high94 Ų9431.1 Ų31.164%0.63517%0.165SC*.THydrogen-bonded Turntrans59.14-172.4-61.70000115.2Q215 K390Q215-C217 PolarHBondContact O-N 3.29Å; C217-K390 HydrophobicContact CB-CG 4.36Å; C217-K390 WeakPolarHBondContact O-CD 3.37Å; C217-K390 WeakPolarHBondContact O-CE 3.3Å; C217-K390 WeakPolarHBondContact O-CG 3.31Å
218S89.8Confident94.7Very high16 Ų1632.7 Ų32.711%0.11218%0.175CC..EExtended strand (participates in β ladder)trans-118.2149.8-175.3-1630000115V214 Q215 D216 R220 K390V214-S218 CarbonylContact C-O 3.57Å; V214-S218 WeakPolarHBondContact CA-O 3.26Å; Q215-S218 PolarHBondContact N-O 2.7Å; Q215-S218 CarbonylContact O-C 3.54Å; Q215-S218 WeakPolarHBondContact O-CA 3.36Å; Q215-S218 PolarHBondContact O-N 3.06Å; D216-S218 PolarHBondContact O-N 3.28Å; S218-R220 PolarHBondContact O-N 3.49Å; S218-R220 VanDerWaalsContact O-N 3.16Å; S218-K390 VanDerWaalsContact CA-NZ 3.32Å; S218-K390 PolarHBondContact OG-NZ 3.3Å
219T94.4Very high94.6Very high8 Ų833.7 Ų33.75%0.04918%0.182CC..EExtended strand (participates in β ladder)trans-66.6116171.1-55.10000109.5Q212 H299 L301 F310 A311 E314Q212-T219 HydrophobicContact CB-CG2 4.27Å; T219-H299 PolarHBondContact OG1-CE1 2.79Å; T219-H299 VanDerWaalsContact OG1-CE1 3.22Å; T219-L301 HydrophobicContact CG2-CD2 4.03Å; T219-F310 WeakPolarHBondContact O-CA 3.48Å; T219-A311 PolarHBondContact O-N 3.16Å; T219-E314 VanDerWaalsContact CB-OE1 3.3Å; T219-E314 WeakPolarHBondContact CB-OE1 3.3Å; T219-E314 PolarHBondContact N-OE1 2.99Å; T219-E314 PolarHBondContact OG1-OE1 3.16Å
220R95.9Very high94.5Very high25 Ų2538.3 Ų38.39%0.09420%0.199CC..EExtended strand (participates in β ladder)trans-97.8134.8173.5-174.1168.8173.9-156.9-13.9109.9Q185 Q212 F213 Q215 S218 P309 F310Q185-R220 VanDerWaalsContact CD-NH1 3.29Å; Q212-R220 WeakPolarHBondContact CA-O 3.47Å; F213-R220 HydrophobicContact CD2-CB 4.37Å; F213-R220 HydrophobicContact CE1-CB 4.29Å; F213-R220 HydrophobicContact CE1-CG 4.2Å; F213-R220 HydrophobicContact CE2-CB 4.01Å; F213-R220 HydrophobicContact CE2-CG 4.23Å; F213-R220 HydrophobicContact CZ-CB 3.99Å; F213-R220 VanDerWaalsContact CZ-CD 3.49Å; F213-R220 HydrophobicContact CZ-CG 3.8Å; F213-R220 PolarHBondContact N-O 3.22Å; F213-R220 VanDerWaalsContact N-O 3.15Å; F213-R220 PolarHBondContact O-N 2.99Å; Q215-R220 HydrophobicContact CB-CB 4.15Å; S218-R220 PolarHBondContact O-N 3.49Å; S218-R220 VanDerWaalsContact O-N 3.16Å; R220-P309 CarbonylContact C-O 3.6Å; R220-P309 VanDerWaalsContact CA-O 3.25Å; R220-P309 WeakPolarHBondContact CA-O 3.16Å; R220-P309 WeakPolarHBondContact CG-O 3.5Å; R220-F310 HydrophobicContact CB-CD1 3.93Å; R220-F310 HydrophobicContact CB-CE1 3.75Å; R220-F310 HydrophobicContact CG-CD1 4.16Å; R220-F310 HydrophobicContact CG-CE1 3.79Å; R220-F310 HydrophobicContact CG-CZ 4.1Å
221H97.2Very high94.4Very high6 Ų640.5 Ų40.53%0.02821%0.213CC..EExtended strand (participates in β ladder)trans-102.1132.8174.3-69176.4000110L210 Q212 F223 P309L210-H221 HydrophobicContact CD1-CB 3.62Å; Q212-H221 PolarHBondContact NE2-NE2 2.98Å; H221-F223 HydrophobicContact CB-CE2 4.08Å; H221-F223 HydrophobicContact CB-CZ 4.37Å; H221-P309 PolarHBondContact N-O 2.92Å
222M97.7Very high94.4Very high5 Ų540.5 Ų40.53%0.02521%0.213CC..EExtended strand (participates in β ladder)trans-131.9115.4173.917617061.400109.4K150 Y174 L187 I211 F213 I224K150-M222 HydrophobicContact CD-CG 4.26Å; K150-M222 HydrophobicContact CD-SD 3.78Å; K150-M222 WeakPolarHBondContact CE-SD 3.31Å; K150-M222 HydrophobicContact CG-CG 4.16Å; K150-M222 HydrophobicContact CG-SD 4.28Å; Y174-M222 HydrophobicContact CD1-SD 4.38Å; Y174-M222 HydrophobicContact CE1-SD 4.06Å; L187-M222 HydrophobicContact CD1-CE 3.41Å; L187-M222 VanDerWaalsContact CD1-CE 3.41Å; I211-M222 HydrophobicContact CB-CB 4.33Å; I211-M222 HydrophobicContact CB-CE 3.93Å; I211-M222 HydrophobicContact CD1-CE 3.72Å; I211-M222 HydrophobicContact CG1-CE 4.39Å; I211-M222 HydrophobicContact CG2-CE 3.95Å; I211-M222 PolarHBondContact N-O 2.94Å; I211-M222 PolarHBondContact O-N 3.46Å; F213-M222 HydrophobicContact CE1-CB 4.12Å; F213-M222 HydrophobicContact CE1-CE 4.16Å; M222-I224 HydrophobicContact CG-CG2 4.12Å
223F98.1Very high94.3Very high5 Ų540.3 Ų40.32%0.02221%0.212CC..EExtended strand (participates in β ladder)trans-90.3126.5178.6-57.4-90.2000109.7K151 F158 I197 Y202 L204 T208 A209 L210 H221 P306 L307K151-F223 HydrophobicContact CB-CB 3.92Å; K151-F223 HydrophobicContact CD-CB 4.26Å; K151-F223 HydrophobicContact CD-CD2 3.89Å; K151-F223 HydrophobicContact CD-CG 4.33Å; K151-F223 PolarHBondContact N-O 3.19Å; F158-F223 HydrophobicContact CE1-CB 4.33Å; F158-F223 HydrophobicContact CZ-CB 4.26Å; I197-F223 HydrophobicContact CD1-CD1 3.68Å; I197-F223 HydrophobicContact CD1-CE1 3.7Å; Y202-F223 AromaticContact CD1-CE1 3.91Å; Y202-F223 HydrophobicContact CD1-CE1 3.91Å; Y202-F223 HydrophobicContact CD1-CZ 4.39Å; Y202-F223 HydrophobicContact CE1-CE1 4.19Å; L204-F223 HydrophobicContact CD1-CB 4.5Å; L204-F223 HydrophobicContact CD1-CD1 3.57Å; L204-F223 HydrophobicContact CD1-CE1 4.07Å; L204-F223 HydrophobicContact CD1-CG 4.19Å; T208-F223 HydrophobicContact CG2-CB 4.48Å; A209-F223 WeakPolarHBondContact O-CA 3.34Å; L210-F223 HydrophobicContact CD1-CD1 4.21Å; L210-F223 HydrophobicContact CD1-CE1 3.91Å; L210-F223 HydrophobicContact CD1-CE2 4.43Å; L210-F223 HydrophobicContact CD1-CZ 4.02Å; H221-F223 HydrophobicContact CB-CE2 4.08Å; H221-F223 HydrophobicContact CB-CZ 4.37Å; F223-P306 WeakPolarHBondContact CZ-O 3.25Å; F223-L307 HydrophobicContact CD1-CD2 4.47Å; F223-L307 HydrophobicContact CE1-CD2 4.07Å; F223-L307 HydrophobicContact CE2-CB 4.42Å; F223-L307 HydrophobicContact CE2-CD2 4.29Å; F223-L307 HydrophobicContact CZ-CD2 3.99Å
224I98.1Very high94.4Very high1 Ų139.8 Ų39.81%0.00521%0.21CC..EExtended strand (participates in β ladder)trans-132.2148.6-179.452.2160.6000110L148 L149 K150 F163 F194 T208 A209 I211 M222 I232L148-I224 HydrophobicContact CD1-CD1 4.33Å; L149-I224 CarbonylContact O-C 3.59Å; L149-I224 VanDerWaalsContact O-CA 3.25Å; L149-I224 WeakPolarHBondContact O-CA 3.27Å; K150-I224 HydrophobicContact CB-CG2 4.25Å; K150-I224 HydrophobicContact CG-CG2 4.1Å; F163-I224 HydrophobicContact CE1-CG2 4.45Å; F163-I224 HydrophobicContact CZ-CG2 3.82Å; F194-I224 HydrophobicContact CD2-CD1 4.06Å; F194-I224 HydrophobicContact CE2-CD1 3.25Å; F194-I224 HydrophobicContact CE2-CG1 4.39Å; F194-I224 HydrophobicContact CZ-CD1 3.71Å; T208-I224 CarbonylContact C-O 3.48Å; T208-I224 WeakPolarHBondContact CA-O 3.34Å; A209-I224 HydrophobicContact CB-CG1 4.25Å; A209-I224 PolarHBondContact N-O 3.34Å; A209-I224 PolarHBondContact O-N 3.21Å; I211-I224 HydrophobicContact CD1-CD1 3.32Å; I211-I224 HydrophobicContact CD1-CG1 4.04Å; I211-I224 HydrophobicContact CG1-CD1 3.8Å; I211-I224 HydrophobicContact CG1-CG1 4.16Å; M222-I224 HydrophobicContact CG-CG2 4.12Å; I224-I232 HydrophobicContact CD1-CD1 4.22Å
225R96.8Very high94.7Very high22 Ų2235.8 Ų35.88%0.08319%0.185CC..EExtended strand (participates in β ladder)trans-147.8168.9176.372.8175.4-126.881.713.1111.3L149 F158 P206 H207 T208 E227L149-R225 HydrophobicContact CB-CG 3.6Å; L149-R225 WeakPolarHBondContact CB-O 3.29Å; L149-R225 HydrophobicContact CD1-CG 4Å; L149-R225 HydrophobicContact CG-CG 4.47Å; L149-R225 PolarHBondContact N-O 2.97Å; L149-R225 PolarHBondContact O-N 2.93Å; F158-R225 HydrophobicContact CD1-CG 3.8Å; F158-R225 HydrophobicContact CE1-CB 4.35Å; F158-R225 HydrophobicContact CE1-CG 3.89Å; F158-R225 HydrophobicContact CG-CG 4.44Å; P206-R225 PolarHBondContact O-NH1 3.49Å; H207-R225 VanDerWaalsContact O-CA 3.26Å; H207-R225 WeakPolarHBondContact O-CA 3.34Å; H207-R225 VanDerWaalsContact O-CB 3.27Å; H207-R225 WeakPolarHBondContact O-CB 3.4Å; T208-R225 HydrophobicContact CG2-CB 4.46Å; R225-E227 IonicContact NH2-OE1 3.69Å; R225-E227 PolarHBondContact NH2-OE1 3.22Å; R225-E227 VanDerWaalsContact NH2-OE1 3.1Å; R225-E227 IonicContact NH2-OE2 2.77Å; R225-E227 PolarHBondContact NH2-OE2 3.17Å
226S97.3Very high95.1Very high5 Ų533.5 Ų33.54%0.03517%0.174CC..  trans-126.2165.6164.254.30000110.3H207 D228 I232H207-S226 WeakPolarHBondContact CB-O 3.31Å; S226-D228 VanDerWaalsContact C-N 3.29Å; S226-D228 PolarHBondContact O-N 3.44Å; S226-D228 PolarHBondContact OG-O 3.07Å; S226-I232 VanDerWaalsContact OG-CB 3.24Å; S226-I232 WeakPolarHBondContact OG-CB 3.4Å; S226-I232 PolarHBondContact OG-N 3.29Å
227E94.5Very high95.6Very high137 Ų13727.5 Ų27.564%0.6414%0.142SC*.SBendtrans-62.5-39177.1-68.5-58.415600112.2L149 H207 R225L149-E227 WeakPolarHBondContact CD1-OE1 3.28Å; H207-E227 PolarHBondContact CE1-O 3.49Å; H207-E227 PolarHBondContact ND1-O 3.41Å; R225-E227 IonicContact NH2-OE1 3.69Å; R225-E227 PolarHBondContact NH2-OE1 3.22Å; R225-E227 VanDerWaalsContact NH2-OE1 3.1Å; R225-E227 IonicContact NH2-OE2 2.77Å; R225-E227 PolarHBondContact NH2-OE2 3.17Å
228D94.5Very high96.3Very high67 Ų6723 Ų2336%0.35811%0.112SC..SBendtrans-115.1159.5-179.871.297000112.8S226 R230 T231S226-D228 VanDerWaalsContact C-N 3.29Å; S226-D228 PolarHBondContact O-N 3.44Å; S226-D228 PolarHBondContact OG-O 3.07Å; D228-R230 WeakPolarHBondContact OD1-CA 3.4Å; D228-R230 VanDerWaalsContact OD1-CB 3.3Å; D228-R230 WeakPolarHBondContact OD1-CB 3.47Å; D228-R230 PolarHBondContact OD1-N 3.07Å; D228-T231 VanDerWaalsContact CG-OG1 3.3Å; D228-T231 PolarHBondContact OD1-N 3.1Å; D228-T231 PolarHBondContact OD1-OG1 2.81Å; D228-T231 VanDerWaalsContact OD2-CB 3.25Å; D228-T231 WeakPolarHBondContact OD2-CB 3.28Å; D228-T231 PolarHBondContact OD2-OG1 3.16Å
229S93.5Very high96.7Very high20 Ų2022.3 Ų22.314%0.1411%0.107CC..Hα-helixtrans-70.1-31.3-179.856.70000113.5I232 I233S229-I232 WeakPolarHBondContact O-CG2 3.42Å; S229-I233 VanDerWaalsContact O-CB 3.31Å; S229-I233 WeakPolarHBondContact O-CB 3.35Å; S229-I233 WeakPolarHBondContact O-CD1 3.2Å; S229-I233 VanDerWaalsContact O-CG1 3.24Å; S229-I233 WeakPolarHBondContact O-CG1 3.47Å; S229-I233 PolarHBondContact O-N 3.5Å; S229-I233 VanDerWaalsContact O-N 3.11Å
230R94.9Very high96.8Very high97 Ų9722 Ų2237%0.36611%0.105SC..Hα-helixtrans-66.9-43.9-176.3-171.2177.1-173.1-172.62.1110.6E125 D228 I233 N234E125-R230 IonicContact OE1-CZ 2.7Å; E125-R230 IonicContact OE1-NE 2.78Å; E125-R230 IonicContact OE1-NH2 3.17Å; E125-R230 PolarHBondContact OE1-NH2 2.85Å; D228-R230 WeakPolarHBondContact OD1-CA 3.4Å; D228-R230 VanDerWaalsContact OD1-CB 3.3Å; D228-R230 WeakPolarHBondContact OD1-CB 3.47Å; D228-R230 PolarHBondContact OD1-N 3.07Å; R230-I233 PolarHBondContact O-N 2.99Å; R230-N234 WeakPolarHBondContact O-CB 3.34Å; R230-N234 PolarHBondContact O-N 2.79Å; R230-N234 PolarHBondContact O-ND2 2.86Å
231T96.6Very high96.9Very high46 Ų4621.3 Ų21.328%0.28210%0.103SC..Hα-helixtrans-59.2-53.5178.4-63.20000111.7L148 D228 I233 N234 W235L148-T231 HydrophobicContact CD2-CG2 4.14Å; D228-T231 VanDerWaalsContact CG-OG1 3.3Å; D228-T231 PolarHBondContact OD1-N 3.1Å; D228-T231 PolarHBondContact OD1-OG1 2.81Å; D228-T231 VanDerWaalsContact OD2-CB 3.25Å; D228-T231 WeakPolarHBondContact OD2-CB 3.28Å; D228-T231 PolarHBondContact OD2-OG1 3.16Å; T231-I233 VanDerWaalsContact C-N 3.3Å; T231-I233 PolarHBondContact O-N 2.78Å; T231-N234 PolarHBondContact O-N 2.83Å; T231-W235 VanDerWaalsContact O-CD1 3.26Å; T231-W235 PolarHBondContact O-N 3.44Å
232I97.2Very high96.9Very high0 Ų021 Ų210%010%0.102CC..Hα-helixtrans-65.3-34.4-178.6-164.668.2000112.1F111 L148 F194 F196 H207 A209 I224 S226 S229 W235 Y236F111-I232 HydrophobicContact CE2-CG2 4.26Å; L148-I232 HydrophobicContact CD2-CD1 4.27Å; F194-I232 HydrophobicContact CZ-CD1 3.85Å; F194-I232 HydrophobicContact CZ-CG1 4.13Å; F196-I232 HydrophobicContact CE1-CG1 3.89Å; F196-I232 HydrophobicContact CE1-CG2 4.06Å; H207-I232 HydrophobicContact CB-CG2 4Å; A209-I232 HydrophobicContact CB-CD1 4.45Å; A209-I232 HydrophobicContact CB-CG1 4.35Å; I224-I232 HydrophobicContact CD1-CD1 4.22Å; S226-I232 VanDerWaalsContact OG-CB 3.24Å; S226-I232 WeakPolarHBondContact OG-CB 3.4Å; S226-I232 PolarHBondContact OG-N 3.29Å; S229-I232 WeakPolarHBondContact O-CG2 3.42Å; I232-W235 PolarHBondContact O-N 3.44Å; I232-Y236 WeakPolarHBondContact O-CB 3.41Å; I232-Y236 PolarHBondContact O-N 2.84Å
233I96.7Very high96.8Very high8 Ų821.7 Ų21.74%0.04111%0.105CC..Hα-helixtrans-72-36178-72.4170.4000111.5F111 L112 A115 F196 S229 R230 T231 Y236 N237F111-I233 HydrophobicContact CD2-CD1 3.84Å; F111-I233 HydrophobicContact CD2-CG1 4.47Å; F111-I233 HydrophobicContact CE2-CD1 4.02Å; F111-I233 HydrophobicContact CE2-CG1 4.21Å; L112-I233 HydrophobicContact CB-CD1 4.41Å; A115-I233 HydrophobicContact CB-CD1 3.19Å; A115-I233 HydrophobicContact CB-CG1 4.47Å; F196-I233 HydrophobicContact CE2-CG1 4.39Å; F196-I233 HydrophobicContact CZ-CG1 3.8Å; S229-I233 VanDerWaalsContact O-CB 3.31Å; S229-I233 WeakPolarHBondContact O-CB 3.35Å; S229-I233 WeakPolarHBondContact O-CD1 3.2Å; S229-I233 VanDerWaalsContact O-CG1 3.24Å; S229-I233 WeakPolarHBondContact O-CG1 3.47Å; S229-I233 PolarHBondContact O-N 3.5Å; S229-I233 VanDerWaalsContact O-N 3.11Å; R230-I233 PolarHBondContact O-N 2.99Å; T231-I233 VanDerWaalsContact C-N 3.3Å; T231-I233 PolarHBondContact O-N 2.78Å; I233-Y236 PolarHBondContact O-N 3.12Å; I233-N237 WeakPolarHBondContact CG2-ND2 3.43Å; I233-N237 WeakPolarHBondContact O-CB 3.35Å; I233-N237 PolarHBondContact O-N 3.15Å; I233-N237 PolarHBondContact O-ND2 2.84Å; I233-N237 VanDerWaalsContact O-ND2 3.09Å
234N97.4Very high96.7Very high8 Ų824.2 Ų24.24%0.04311%0.114CC..Hα-helixtrans-63.2-43.4172.3-75.7-19.7000111.4Q138 F139 R230 T231 N237 A238Q138-N234 HydrophobicContact CB-CB 4.46Å; Q138-N234 WeakPolarHBondContact CB-ND2 3.36Å; F139-N234 HydrophobicContact CB-CB 4.35Å; R230-N234 WeakPolarHBondContact O-CB 3.34Å; R230-N234 PolarHBondContact O-N 2.79Å; R230-N234 PolarHBondContact O-ND2 2.86Å; T231-N234 PolarHBondContact O-N 2.83Å; N234-N237 PolarHBondContact O-N 3.21Å; N234-A238 VanDerWaalsContact O-CB 3.29Å; N234-A238 WeakPolarHBondContact O-CB 3.35Å; N234-A238 PolarHBondContact O-N 3.38Å
235W98.1Very high96.5Very high6 Ų628.4 Ų28.42%0.02313%0.134CC..Hα-helixtrans-61.3-44.9172.9-85.1101.4000112.6K144 L148 F163 L165 L172 T231 I232 N237 A238 I239K144-W235 HydrophobicContact CB-CH2 4.36Å; K144-W235 HydrophobicContact CB-CZ3 4.38Å; K144-W235 HydrophobicContact CD-CD2 3.88Å; K144-W235 HydrophobicContact CD-CE3 4.07Å; K144-W235 HydrophobicContact CD-CG 4.33Å; K144-W235 HydrophobicContact CD-CH2 4.45Å; K144-W235 HydrophobicContact CD-CZ2 4.28Å; K144-W235 HydrophobicContact CD-CZ3 4.36Å; K144-W235 HydrophobicContact CG-CH2 4.1Å; K144-W235 HydrophobicContact CG-CZ2 4.09Å; K144-W235 HydrophobicContact CG-CZ3 4.34Å; K144-W235 WeakPolarHBondContact O-CH2 3.43Å; L148-W235 HydrophobicContact CD1-CD2 3.89Å; L148-W235 HydrophobicContact CD1-CE3 4.47Å; L148-W235 HydrophobicContact CD1-CG 3.88Å; L148-W235 HydrophobicContact CD2-CG 4.35Å; L148-W235 HydrophobicContact CG-CG 4.46Å; F163-W235 HydrophobicContact CB-CH2 3.53Å; F163-W235 HydrophobicContact CB-CZ2 3.96Å; F163-W235 HydrophobicContact CB-CZ3 4.04Å; L165-W235 HydrophobicContact CB-CZ3 3.83Å; L172-W235 HydrophobicContact CD1-CE3 4.33Å; L172-W235 HydrophobicContact CD1-CZ3 3.82Å; T231-W235 VanDerWaalsContact O-CD1 3.26Å; T231-W235 PolarHBondContact O-N 3.44Å; I232-W235 PolarHBondContact O-N 3.44Å; W235-N237 PolarHBondContact O-N 3.46Å; W235-A238 PolarHBondContact O-N 2.88Å; W235-I239 WeakPolarHBondContact O-CG1 3.46Å; W235-I239 PolarHBondContact O-N 2.77Å
236Y97.7Very high96.2Very high1 Ų131.2 Ų31.20%0.00414%0.144CC..Hα-helixtrans-59.4-46.9177172.2-116.1000112.2R100 F194 F196 I232 I233 I239 R240 T268R100-Y236 HydrophobicContact CB-CD1 4.33Å; R100-Y236 HydrophobicContact CB-CE1 3.44Å; R100-Y236 VanDerWaalsContact CB-CE1 3.44Å; R100-Y236 HydrophobicContact CG-CE1 3.73Å; F194-Y236 HydrophobicContact CB-CD2 4.3Å; F194-Y236 AromaticContact CD1-CD2 3.31Å; F194-Y236 HydrophobicContact CD1-CD2 3.31Å; F194-Y236 HydrophobicContact CD1-CE2 4.03Å; F194-Y236 HydrophobicContact CD1-CG 4.16Å; F194-Y236 AromaticContact CE1-CD2 3.73Å; F194-Y236 HydrophobicContact CE1-CD2 3.73Å; F194-Y236 HydrophobicContact CE1-CG 4.13Å; F194-Y236 AromaticContact CG-CD2 3.98Å; F194-Y236 HydrophobicContact CG-CD2 3.98Å; F194-Y236 WeakPolarHBondContact O-CE2 3.38Å; F196-Y236 AromaticContact CE2-CD1 3.52Å; F196-Y236 HydrophobicContact CE2-CD1 3.52Å; F196-Y236 HydrophobicContact CE2-CD2 4.23Å; F196-Y236 AromaticContact CE2-CE1 3.79Å; F196-Y236 HydrophobicContact CE2-CE1 3.79Å; F196-Y236 HydrophobicContact CE2-CE2 4.47Å; F196-Y236 AromaticContact CE2-CG 3.72Å; F196-Y236 HydrophobicContact CE2-CG 3.72Å; F196-Y236 AromaticContact CZ-CD1 3.98Å; F196-Y236 HydrophobicContact CZ-CD1 3.98Å; F196-Y236 HydrophobicContact CZ-CD2 4.49Å; F196-Y236 AromaticContact CZ-CG 3.84Å; F196-Y236 HydrophobicContact CZ-CG 3.84Å; I232-Y236 WeakPolarHBondContact O-CB 3.41Å; I232-Y236 PolarHBondContact O-N 2.84Å; I233-Y236 PolarHBondContact O-N 3.12Å; Y236-I239 PolarHBondContact O-N 3.45Å; Y236-R240 HydrophobicContact CE2-CG 4.29Å; Y236-R240 WeakPolarHBondContact O-CG 3.38Å; Y236-R240 PolarHBondContact O-N 3Å; Y236-T268 HydrophobicContact CE2-CG2 3.9Å; Y236-T268 PolarHBondContact OH-OG1 3.15Å
237N97.7Very high95.9Very high1 Ų133 Ų331%0.00515%0.153CC..Hα-helixtrans-71.9-31179.2-75.3-55.5000112.9F99 R100 F139 I233 N234 W235 R240 L241F99-N237 WeakPolarHBondContact CA-OD1 3.34Å; F99-N237 HydrophobicContact CD2-CB 4.11Å; F99-N237 HydrophobicContact CE2-CB 4.22Å; F99-N237 VanDerWaalsContact CE2-ND2 3.34Å; F99-N237 WeakPolarHBondContact CE2-ND2 3.44Å; F99-N237 VanDerWaalsContact CZ-ND2 3.33Å; F99-N237 WeakPolarHBondContact CZ-ND2 3.45Å; R100-N237 PolarHBondContact N-OD1 2.91Å; F139-N237 HydrophobicContact CB-CB 3.85Å; F139-N237 HydrophobicContact CG-CB 4.38Å; I233-N237 WeakPolarHBondContact CG2-ND2 3.43Å; I233-N237 WeakPolarHBondContact O-CB 3.35Å; I233-N237 PolarHBondContact O-N 3.15Å; I233-N237 PolarHBondContact O-ND2 2.84Å; I233-N237 VanDerWaalsContact O-ND2 3.09Å; N234-N237 PolarHBondContact O-N 3.21Å; W235-N237 PolarHBondContact O-N 3.46Å; N237-R240 PolarHBondContact O-N 3.24Å; N237-L241 PolarHBondContact O-N 3.18Å
238A97.9Very high95.6Very high0 Ų028 Ų280%013%0.133CC..Hα-helixtrans-65.8-39.7171.200000112F139 K144 L165 N234 W235 R240 L241 G242F139-A238 VanDerWaalsContact O-CA 3.28Å; F139-A238 WeakPolarHBondContact O-CA 3.29Å; F139-A238 PolarHBondContact O-N 3.1Å; K144-A238 HydrophobicContact CD-CB 4.01Å; L165-A238 HydrophobicContact CD2-CB 3.57Å; N234-A238 VanDerWaalsContact O-CB 3.29Å; N234-A238 WeakPolarHBondContact O-CB 3.35Å; N234-A238 PolarHBondContact O-N 3.38Å; W235-A238 PolarHBondContact O-N 2.88Å; A238-R240 VanDerWaalsContact C-N 3.34Å; A238-L241 WeakPolarHBondContact O-CB 3.38Å; A238-L241 PolarHBondContact O-N 2.64Å; A238-G242 PolarHBondContact O-N 3.24Å
239I98.2Very high95.3Very high1 Ų130.3 Ų30.31%0.00515%0.145CC..Hα-helixtrans-63.6-41.6172.3-73.6166.6000110.8L165 L172 L189 L192 F194 W235 Y236 G242 K243L165-I239 HydrophobicContact CD1-CG1 3.97Å; L165-I239 HydrophobicContact CD2-CG1 4.4Å; L172-I239 HydrophobicContact CD2-CD1 3.87Å; L189-I239 HydrophobicContact CD1-CB 4.27Å; L189-I239 HydrophobicContact CD1-CG1 4.14Å; L189-I239 HydrophobicContact CD1-CG2 3.9Å; L192-I239 HydrophobicContact CD1-CG2 3.96Å; F194-I239 HydrophobicContact CB-CG2 4.38Å; F194-I239 HydrophobicContact CD2-CD1 3.32Å; F194-I239 HydrophobicContact CE2-CD1 3.64Å; F194-I239 HydrophobicContact CG-CD1 4.26Å; W235-I239 WeakPolarHBondContact O-CG1 3.46Å; W235-I239 PolarHBondContact O-N 2.77Å; Y236-I239 PolarHBondContact O-N 3.45Å; I239-G242 PolarHBondContact O-N 3.13Å; I239-K243 HydrophobicContact CG2-CD 4Å; I239-K243 WeakPolarHBondContact O-CG 2.98Å; I239-K243 PolarHBondContact O-N 3.3Å
240R97.7Very high94.9Very high0 Ų031.3 Ų31.30%016%0.158CC..Hα-helixtrans-63.4-40.6175.5-72.6176.860.681.26.7112Y98 Y236 N237 A238 K243 Y244 S264 L267 T268Y98-R240 PolarHBondContact O-NE 3.42Å; Y98-R240 PolarHBondContact O-NH2 3.16Å; Y236-R240 HydrophobicContact CE2-CG 4.29Å; Y236-R240 WeakPolarHBondContact O-CG 3.38Å; Y236-R240 PolarHBondContact O-N 3Å; N237-R240 PolarHBondContact O-N 3.24Å; A238-R240 VanDerWaalsContact C-N 3.34Å; R240-K243 PolarHBondContact O-N 2.78Å; R240-Y244 VanDerWaalsContact O-CB 3.26Å; R240-Y244 WeakPolarHBondContact O-CB 3.45Å; R240-Y244 PolarHBondContact O-N 3.43Å; R240-S264 PolarHBondContact NH1-O 2.82Å; R240-S264 PolarHBondContact NH2-O 3.3Å; R240-S264 PolarHBondContact NH2-OG 3.38Å; R240-L267 HydrophobicContact CB-CD1 4.16Å; R240-L267 HydrophobicContact CG-CB 4.34Å; R240-T268 HydrophobicContact CG-CG2 3.78Å; R240-T268 PolarHBondContact NH1-OG1 2.82Å
241L97.2Very high94.4Very high12 Ų1227.6 Ų27.66%0.06315%0.146CC..Hα-helixtrans-55.9-52.7171.3169.671.9000110.8Y98 C141 N237 A238 K243 Y244 H245Y98-L241 HydrophobicContact CD1-CD1 3.91Å; Y98-L241 HydrophobicContact CD2-CB 3.92Å; Y98-L241 HydrophobicContact CE1-CB 4.48Å; Y98-L241 HydrophobicContact CE1-CD1 3.41Å; Y98-L241 VanDerWaalsContact CE1-CD1 3.41Å; Y98-L241 HydrophobicContact CE2-CB 3.86Å; Y98-L241 HydrophobicContact CE2-CD1 4.16Å; Y98-L241 HydrophobicContact CG-CB 4.3Å; Y98-L241 HydrophobicContact CG-CD1 4.47Å; C141-L241 WeakPolarHBondContact O-CD2 3.39Å; N237-L241 PolarHBondContact O-N 3.18Å; A238-L241 WeakPolarHBondContact O-CB 3.38Å; A238-L241 PolarHBondContact O-N 2.64Å; L241-K243 VanDerWaalsContact C-N 3.32Å; L241-K243 PolarHBondContact O-N 3.15Å; L241-Y244 WeakPolarHBondContact O-CA 3.46Å; L241-Y244 WeakPolarHBondContact O-CB 3.33Å; L241-Y244 PolarHBondContact O-N 2.8Å; L241-H245 VanDerWaalsContact CD1-CD2 3.41Å; L241-H245 WeakPolarHBondContact CD1-CD2 3.25Å; L241-H245 VanDerWaalsContact CD1-NE2 3.34Å; L241-H245 WeakPolarHBondContact CD1-NE2 3.48Å; L241-H245 PolarHBondContact O-CD2 2.82Å; L241-H245 VanDerWaalsContact O-CD2 3.32Å; L241-H245 PolarHBondContact O-N 3.36Å
242G96.9Very high93.7Very high0 Ų030.1 Ų30.10%017%0.165CC..Hα-helixtrans-58.4-46.1-178.800000112.3A238 I239 Y244 H245 R246A238-G242 PolarHBondContact O-N 3.24Å; I239-G242 PolarHBondContact O-N 3.13Å; G242-Y244 VanDerWaalsContact C-N 3.31Å; G242-Y244 PolarHBondContact O-N 2.94Å; G242-H245 PolarHBondContact O-N 3.32Å; G242-R246 VanDerWaalsContact O-CG 3.3Å; G242-R246 WeakPolarHBondContact O-CG 3.48Å; G242-R246 PolarHBondContact O-N 2.81Å
243K96.2Very high92.9Very high19 Ų1933.7 Ų33.78%0.08320%0.202CC..Hα-helixtrans-62.5-36.4174.5-71.8171.5155.7-68.60113.3L189 E190 L192 I239 R240 L241 R246 L247 L267 T268L189-K243 WeakPolarHBondContact O-CE 3.29Å; L189-K243 WeakPolarHBondContact O-CG 3.24Å; L189-K243 PolarHBondContact O-NZ 2.76Å; E190-K243 PolarHBondContact O-NZ 2.86Å; L192-K243 WeakPolarHBondContact O-CE 3.49Å; L192-K243 PolarHBondContact O-NZ 2.94Å; I239-K243 HydrophobicContact CG2-CD 4Å; I239-K243 WeakPolarHBondContact O-CG 2.98Å; I239-K243 PolarHBondContact O-N 3.3Å; R240-K243 PolarHBondContact O-N 2.78Å; L241-K243 VanDerWaalsContact C-N 3.32Å; L241-K243 PolarHBondContact O-N 3.15Å; K243-R246 PolarHBondContact O-N 2.86Å; K243-L247 VanDerWaalsContact O-CB 3.3Å; K243-L247 WeakPolarHBondContact O-CB 3.33Å; K243-L247 PolarHBondContact O-N 2.96Å; K243-L267 HydrophobicContact CB-CB 4.47Å; K243-L267 HydrophobicContact CB-CD2 4.2Å; K243-L267 WeakPolarHBondContact CD-O 3.3Å; K243-T268 HydrophobicContact CD-CG2 4.43Å
244Y95.6Very high92Very high58 Ų5840 Ų4023%0.22723%0.233CC..Hα-helixtrans-63.3-46.5176.2172.7-98.4000111V97 Y98 R240 L241 G242 R246 L247 C248 L263V97-Y244 HydrophobicContact CB-CE2 4.43Å; V97-Y244 HydrophobicContact CG1-CE2 4.28Å; Y98-Y244 AromaticContact CD1-CD1 3.97Å; Y98-Y244 HydrophobicContact CD1-CD1 3.97Å; Y98-Y244 HydrophobicContact CD1-CE1 4.47Å; Y98-Y244 HydrophobicContact CD1-CG 4.2Å; R240-Y244 VanDerWaalsContact O-CB 3.26Å; R240-Y244 WeakPolarHBondContact O-CB 3.45Å; R240-Y244 PolarHBondContact O-N 3.43Å; L241-Y244 WeakPolarHBondContact O-CA 3.46Å; L241-Y244 WeakPolarHBondContact O-CB 3.33Å; L241-Y244 PolarHBondContact O-N 2.8Å; G242-Y244 VanDerWaalsContact C-N 3.31Å; G242-Y244 PolarHBondContact O-N 2.94Å; Y244-R246 PolarHBondContact O-N 3.35Å; Y244-L247 PolarHBondContact O-N 2.71Å; Y244-C248 VanDerWaalsContact CZ-SG 3.59Å; Y244-C248 PolarHBondContact O-N 2.9Å; Y244-C248 PolarHBondContact O-SG 3.08Å; Y244-C248 VanDerWaalsContact O-SG 3.38Å; Y244-L263 HydrophobicContact CE2-CB 4.39Å; Y244-L263 HydrophobicContact CE2-CD1 3.99Å
245H93.2Very high91.1Very high89 Ų8943 Ų4341%0.41227%0.265SS..Hα-helixtrans-59.1-47.6174.2-82.4-82000112.2V167 L241 G242 L247 C248 L249V167-H245 HydrophobicContact CG1-CB 3.86Å; L241-H245 VanDerWaalsContact CD1-CD2 3.41Å; L241-H245 WeakPolarHBondContact CD1-CD2 3.25Å; L241-H245 VanDerWaalsContact CD1-NE2 3.34Å; L241-H245 WeakPolarHBondContact CD1-NE2 3.48Å; L241-H245 PolarHBondContact O-CD2 2.82Å; L241-H245 VanDerWaalsContact O-CD2 3.32Å; L241-H245 PolarHBondContact O-N 3.36Å; G242-H245 PolarHBondContact O-N 3.32Å; H245-L247 VanDerWaalsContact C-N 3.33Å; H245-L247 PolarHBondContact O-N 2.85Å; H245-C248 PolarHBondContact O-N 3.06Å; H245-L249 WeakPolarHBondContact O-CG 3.44Å; H245-L249 PolarHBondContact O-N 3.01Å
246R91Very high90.3Very high80 Ų8045.7 Ų45.730%0.30228%0.283SS..Hα-helixtrans-58.2-44.5177.1-65.2-61.4-56.7154.75.9112E190 G242 K243 Y244 L249 G250E190-R246 HydrophobicContact CB-CB 4.47Å; E190-R246 HydrophobicContact CB-CG 4.36Å; E190-R246 HydrophobicContact CG-CB 4.14Å; E190-R246 IonicContact OE2-CZ 2.73Å; E190-R246 IonicContact OE2-NE 2.68Å; E190-R246 PolarHBondContact OE2-NE 2.95Å; E190-R246 IonicContact OE2-NH2 3.8Å; E190-R246 PolarHBondContact OE2-NH2 2.77Å; G242-R246 VanDerWaalsContact O-CG 3.3Å; G242-R246 WeakPolarHBondContact O-CG 3.48Å; G242-R246 PolarHBondContact O-N 2.81Å; K243-R246 PolarHBondContact O-N 2.86Å; Y244-R246 PolarHBondContact O-N 3.35Å; R246-L249 PolarHBondContact O-N 2.84Å; R246-G250 PolarHBondContact O-N 2.83Å; R246-G250 VanDerWaalsContact O-N 3.09Å
247L90.4Very high89.4Confident43 Ų4352.2 Ų52.223%0.22532%0.323CS..Hα-helixtrans-64.4-45.6178-178.260000111.8K243 Y244 H245 L249 G250 L251 L263 R266 L267K243-L247 VanDerWaalsContact O-CB 3.3Å; K243-L247 WeakPolarHBondContact O-CB 3.33Å; K243-L247 PolarHBondContact O-N 2.96Å; Y244-L247 PolarHBondContact O-N 2.71Å; H245-L247 VanDerWaalsContact C-N 3.33Å; H245-L247 PolarHBondContact O-N 2.85Å; L247-L249 PolarHBondContact O-N 3.12Å; L247-G250 PolarHBondContact O-N 2.77Å; L247-L251 HydrophobicContact CD1-CD1 4.15Å; L247-L251 HydrophobicContact CD1-CG 4.19Å; L247-L251 HydrophobicContact CG-CD1 3.93Å; L247-L251 HydrophobicContact CG-CG 4.4Å; L247-L251 WeakPolarHBondContact O-CB 3.24Å; L247-L251 VanDerWaalsContact O-CG 3.27Å; L247-L251 WeakPolarHBondContact O-CG 3.47Å; L247-L251 PolarHBondContact O-N 3.28Å; L247-L263 HydrophobicContact CD2-CD2 3.61Å; L247-L263 HydrophobicContact CG-CD2 4.02Å; L247-R266 HydrophobicContact CD2-CB 4.04Å; L247-L267 HydrophobicContact CD2-CD2 4.1Å
248C89.7Confident88.7Confident33 Ų3353.4 Ų53.422%0.22333%0.329CS..Hα-helixtrans-64.3-38.9178.5-71.20000112.7Y244 H245 L251 S252Y244-C248 VanDerWaalsContact CZ-SG 3.59Å; Y244-C248 PolarHBondContact O-N 2.9Å; Y244-C248 PolarHBondContact O-SG 3.08Å; Y244-C248 VanDerWaalsContact O-SG 3.38Å; H245-C248 PolarHBondContact O-N 3.06Å; C248-L251 PolarHBondContact O-N 3.48Å; C248-S252 WeakPolarHBondContact O-CB 3.18Å; C248-S252 PolarHBondContact O-N 3.35Å; C248-S252 PolarHBondContact O-OG 3.25Å
249L86.7Confident88.2Confident114 Ų11455.8 Ų55.860%0.59735%0.345SS*.Hα-helixtrans-61.3-45.1173.9-72.2171000111.2H245 R246 L247 G253H245-L249 WeakPolarHBondContact O-CG 3.44Å; H245-L249 PolarHBondContact O-N 3.01Å; R246-L249 PolarHBondContact O-N 2.84Å; L247-L249 PolarHBondContact O-N 3.12Å; L249-G253 PolarHBondContact O-N 3.29Å
250G85Confident87.6Confident41 Ų4159.5 Ų59.542%0.42337%0.37SS..Hα-helixtrans-64-42.6176.700000113.3R246 L247 G253 M254R246-G250 PolarHBondContact O-N 2.83Å; R246-G250 VanDerWaalsContact O-N 3.09Å; L247-G250 PolarHBondContact O-N 2.77Å; G250-G253 PolarHBondContact O-N 3.11Å; G250-M254 WeakPolarHBondContact O-CG 3.48Å; G250-M254 PolarHBondContact O-N 2.73Å
251L85.4Confident87Confident20 Ų2062.3 Ų62.311%0.10539%0.393CS..Hα-helixtrans-67.4-40.3179.8-73.4173000113L247 C248 G253 M254 G255 V256 L258 L263L247-L251 HydrophobicContact CD1-CD1 4.15Å; L247-L251 HydrophobicContact CD1-CG 4.19Å; L247-L251 HydrophobicContact CG-CD1 3.93Å; L247-L251 HydrophobicContact CG-CG 4.4Å; L247-L251 WeakPolarHBondContact O-CB 3.24Å; L247-L251 VanDerWaalsContact O-CG 3.27Å; L247-L251 WeakPolarHBondContact O-CG 3.47Å; L247-L251 PolarHBondContact O-N 3.28Å; C248-L251 PolarHBondContact O-N 3.48Å; L251-G253 VanDerWaalsContact C-N 3.27Å; L251-G253 PolarHBondContact O-N 2.83Å; L251-M254 CarbonylContact O-C 3.57Å; L251-M254 PolarHBondContact O-N 3.3Å; L251-G255 PolarHBondContact O-N 3.38Å; L251-V256 WeakPolarHBondContact CB-O 3.45Å; L251-V256 HydrophobicContact CD2-CB 3.91Å; L251-V256 HydrophobicContact CD2-CG1 3.93Å; L251-V256 PolarHBondContact O-N 3.05Å; L251-L258 HydrophobicContact CD1-CB 4.48Å; L251-L258 HydrophobicContact CD1-CD1 3.8Å; L251-L258 HydrophobicContact CD1-CG 4.09Å; L251-L258 HydrophobicContact CD2-CD1 4.13Å; L251-L258 HydrophobicContact CD2-CG 4.32Å; L251-L263 HydrophobicContact CD1-CD2 3.47Å; L251-L263 VanDerWaalsContact CD1-CD2 3.47Å
252S80.8Confident86.5Confident99 Ų9966 Ų6669%0.69241%0.409SS*.Hα-helixtrans-60.6-39.1177.2-56.90000111.2C248 M254 G255C248-S252 WeakPolarHBondContact O-CB 3.18Å; C248-S252 PolarHBondContact O-N 3.35Å; C248-S252 PolarHBondContact O-OG 3.25Å; S252-M254 VanDerWaalsContact C-N 3.25Å; S252-M254 PolarHBondContact O-N 3.16Å; S252-G255 PolarHBondContact O-N 3.44Å
253G80.7Confident86.2Confident74 Ų7466.7 Ų66.776%0.76341%0.413SS*.Hα-helixtrans-68.9-19.2173.800000114.6L249 G250 L251L249-G253 PolarHBondContact O-N 3.29Å; G250-G253 PolarHBondContact O-N 3.11Å; L251-G253 VanDerWaalsContact C-N 3.27Å; L251-G253 PolarHBondContact O-N 2.83Å
254M79.5Confident85.9Confident141 Ų14167 Ų6770%0.69542%0.418SS*.Hα-helixtrans-100.3-6.4179-65.7-175.478.600113.8G250 L251 S252 V256G250-M254 WeakPolarHBondContact O-CG 3.48Å; G250-M254 PolarHBondContact O-N 2.73Å; L251-M254 CarbonylContact O-C 3.57Å; L251-M254 PolarHBondContact O-N 3.3Å; S252-M254 VanDerWaalsContact C-N 3.25Å; S252-M254 PolarHBondContact O-N 3.16Å; M254-V256 HydrophobicContact CB-CG2 4.05Å; M254-V256 PolarHBondContact O-N 3.04Å
255G77.9Confident85.6Confident70 Ų7071.8 Ų71.872%0.72244%0.44SS*.THydrogen-bonded Turntrans65.523.8-174.200000114.1L251 S252L251-G255 PolarHBondContact O-N 3.38Å; S252-G255 PolarHBondContact O-N 3.44Å
256V79.8Confident85.4Confident64 Ų6474.1 Ų74.139%0.38845%0.445SS..  trans-103.1124.7-178.5177.50000110L251 M254 L258L251-V256 WeakPolarHBondContact CB-O 3.45Å; L251-V256 HydrophobicContact CD2-CB 3.91Å; L251-V256 HydrophobicContact CD2-CG1 3.93Å; L251-V256 PolarHBondContact O-N 3.05Å; M254-V256 HydrophobicContact CB-CG2 4.05Å; M254-V256 PolarHBondContact O-N 3.04Å; V256-L258 HydrophobicContact CG1-CD2 4.26Å; V256-L258 HydrophobicContact CG1-CG 4.41Å
257T79.9Confident85.5Confident138 Ų13870.7 Ų70.785%0.84743%0.432SS*.  trans-101.7130172.5-50.60000109.8
258L83.6Confident85.8Confident26 Ų2668.8 Ų68.814%0.13642%0.423CS..  trans-113.4149.2173.4-66-179.1000109.9L251 V256 E262 L263 R266L251-L258 HydrophobicContact CD1-CB 4.48Å; L251-L258 HydrophobicContact CD1-CD1 3.8Å; L251-L258 HydrophobicContact CD1-CG 4.09Å; L251-L258 HydrophobicContact CD2-CD1 4.13Å; L251-L258 HydrophobicContact CD2-CG 4.32Å; V256-L258 HydrophobicContact CG1-CD2 4.26Å; V256-L258 HydrophobicContact CG1-CG 4.41Å; L258-E262 HydrophobicContact CB-CB 4.23Å; L258-L263 HydrophobicContact CB-CD2 3.92Å; L258-L263 HydrophobicContact CB-CG 3.85Å; L258-L263 HydrophobicContact CD1-CD2 3.98Å; L258-L263 HydrophobicContact CG-CD2 4.49Å; L258-R266 VanDerWaalsContact CD1-CZ 3.45Å
259S87.4Confident85.9Confident49 Ų4970.7 Ų70.734%0.34343%0.425SS..  trans-64.7154.2171.666.80000111A261 E262 L263S259-A261 PolarHBondContact O-N 3.44Å; S259-A261 VanDerWaalsContact O-N 3.16Å; S259-E262 WeakPolarHBondContact CB-OE2 3.28Å; S259-E262 PolarHBondContact N-OE2 2.57Å; S259-E262 PolarHBondContact O-N 3.46Å; S259-E262 VanDerWaalsContact OG-CD 3.27Å; S259-E262 WeakPolarHBondContact OG-CG 3.49Å; S259-E262 PolarHBondContact OG-N 3.49Å; S259-E262 PolarHBondContact OG-OE2 3.46Å; S259-L263 PolarHBondContact O-N 3.31Å
260P85.4Confident86.2Confident80 Ų8066.8 Ų66.852%0.51941%0.405SS..Hα-helixtrans-51.3-38.8174.1-31.437.6000113.8V97 L263 S264V97-P260 HydrophobicContact CB-CB 4.42Å; V97-P260 HydrophobicContact CG1-CB 3.7Å; V97-P260 WeakPolarHBondContact CG1-O 3.35Å; V97-P260 HydrophobicContact CG2-CB 3.81Å; V97-P260 HydrophobicContact CG2-CG 4.43Å; P260-L263 PolarHBondContact O-N 3.22Å; P260-S264 WeakPolarHBondContact O-CB 3.49Å; P260-S264 PolarHBondContact O-N 2.98Å
261A84.8Confident86.6Confident59 Ų5966.8 Ų66.849%0.48840%0.397SS..Hα-helixtrans-66.8-40.417900000112.4S259 K265S259-A261 PolarHBondContact O-N 3.44Å; S259-A261 VanDerWaalsContact O-N 3.16Å; A261-K265 VanDerWaalsContact O-CG 3.3Å; A261-K265 WeakPolarHBondContact O-CG 3.14Å; A261-K265 PolarHBondContact O-N 3.16Å
262E87.2Confident87Confident88 Ų8869.4 Ų69.441%0.41141%0.411SS..Hα-helixtrans-68.8-40176.4-71.2166.4127.600112L258 S259 K265 R266L258-E262 HydrophobicContact CB-CB 4.23Å; S259-E262 WeakPolarHBondContact CB-OE2 3.28Å; S259-E262 PolarHBondContact N-OE2 2.57Å; S259-E262 PolarHBondContact O-N 3.46Å; S259-E262 VanDerWaalsContact OG-CD 3.27Å; S259-E262 WeakPolarHBondContact OG-CG 3.49Å; S259-E262 PolarHBondContact OG-N 3.49Å; S259-E262 PolarHBondContact OG-OE2 3.46Å; E262-K265 PolarHBondContact O-N 2.79Å; E262-R266 WeakPolarHBondContact O-CG 2.67Å; E262-R266 PolarHBondContact O-N 2.95Å
263L89.2Confident87.7Confident15 Ų1566 Ų668%0.07938%0.384CS..Hα-helixtrans-58.9-52.7174.4-71169.8000110.4V97 Y244 L247 L251 L258 S259 P260 K265 R266 L267V97-L263 HydrophobicContact CG1-CB 4.46Å; Y244-L263 HydrophobicContact CE2-CB 4.39Å; Y244-L263 HydrophobicContact CE2-CD1 3.99Å; L247-L263 HydrophobicContact CD2-CD2 3.61Å; L247-L263 HydrophobicContact CG-CD2 4.02Å; L251-L263 HydrophobicContact CD1-CD2 3.47Å; L251-L263 VanDerWaalsContact CD1-CD2 3.47Å; L258-L263 HydrophobicContact CB-CD2 3.92Å; L258-L263 HydrophobicContact CB-CG 3.85Å; L258-L263 HydrophobicContact CD1-CD2 3.98Å; L258-L263 HydrophobicContact CG-CD2 4.49Å; S259-L263 PolarHBondContact O-N 3.31Å; P260-L263 PolarHBondContact O-N 3.22Å; L263-K265 VanDerWaalsContact C-N 3.27Å; L263-K265 PolarHBondContact O-N 2.79Å; L263-R266 PolarHBondContact O-N 3.01Å; L263-L267 WeakPolarHBondContact O-CG 3.3Å
264S91Very high88.5Confident25 Ų2564 Ų6418%0.17536%0.361CS..Hα-helixtrans-59.9-35.2-176.2-162.90000113.2V97 R240 P260 R266V97-S264 VanDerWaalsContact O-CB 3.29Å; V97-S264 WeakPolarHBondContact O-CB 3.48Å; V97-S264 PolarHBondContact O-OG 2.99Å; R240-S264 PolarHBondContact NH1-O 2.82Å; R240-S264 PolarHBondContact NH2-O 3.3Å; R240-S264 PolarHBondContact NH2-OG 3.38Å; P260-S264 WeakPolarHBondContact O-CB 3.49Å; P260-S264 PolarHBondContact O-N 2.98Å; S264-R266 VanDerWaalsContact C-N 3.33Å; S264-R266 PolarHBondContact O-N 2.71Å
265K88.5Confident89.4Confident159 Ų15958 Ų5869%0.69133%0.334SS*.Hα-helixtrans-70.2-22.3176.4-75.2175.9-178-179.70113.9A261 E262 L263A261-K265 VanDerWaalsContact O-CG 3.3Å; A261-K265 WeakPolarHBondContact O-CG 3.14Å; A261-K265 PolarHBondContact O-N 3.16Å; E262-K265 PolarHBondContact O-N 2.79Å; L263-K265 VanDerWaalsContact C-N 3.27Å; L263-K265 PolarHBondContact O-N 2.79Å
266R89Confident90.3Very high139 Ų13958.7 Ų58.753%0.52532%0.316SS..Hα-helixtrans-89-12.9-178.1-69.6177.9-171.7-155.46.4114L247 L258 E262 L263 S264L247-R266 HydrophobicContact CD2-CB 4.04Å; L258-R266 VanDerWaalsContact CD1-CZ 3.45Å; E262-R266 WeakPolarHBondContact O-CG 2.67Å; E262-R266 PolarHBondContact O-N 2.95Å; L263-R266 PolarHBondContact O-N 3.01Å; S264-R266 VanDerWaalsContact C-N 3.33Å; S264-R266 PolarHBondContact O-N 2.71Å
267L94.5Very high91.2Very high7 Ų755.7 Ų55.74%0.03730%0.297CS..Hα-helixtrans-71.6-49.2-173.3-52.1-178.7000111.9R240 K243 L247 L263R240-L267 HydrophobicContact CB-CD1 4.16Å; R240-L267 HydrophobicContact CG-CB 4.34Å; K243-L267 HydrophobicContact CB-CB 4.47Å; K243-L267 HydrophobicContact CB-CD2 4.2Å; K243-L267 WeakPolarHBondContact CD-O 3.3Å; L247-L267 HydrophobicContact CD2-CD2 4.1Å; L263-L267 WeakPolarHBondContact O-CG 3.3Å
268T95.1Very high92.1Very high3 Ų349.6 Ų49.62%0.01826%0.26CS..  trans-139.3154.2178.460.60000109.8F194 Y236 R240 K243F194-T268 WeakPolarHBondContact O-CB 3.44Å; Y236-T268 HydrophobicContact CE2-CG2 3.9Å; Y236-T268 PolarHBondContact OH-OG1 3.15Å; R240-T268 HydrophobicContact CG-CG2 3.78Å; R240-T268 PolarHBondContact NH1-OG1 2.82Å; K243-T268 HydrophobicContact CD-CG2 4.43Å
269R93Very high92.8Very high73 Ų7349 Ų4928%0.27526%0.257SS..  trans-115.9131.9179.9-59173.6-69-133.7-4.3109.2N193 T195 N297N193-R269 PolarHBondContact ND2-O 3.16Å; N193-R269 PolarHBondContact OD1-N 3.2Å; N193-R269 PolarHBondContact OD1-O 3.46Å; T195-R269 WeakPolarHBondContact CB-O 3.25Å; R269-N297 VanDerWaalsContact CD-ND2 3.33Å; R269-N297 WeakPolarHBondContact CD-ND2 3.18Å; R269-N297 WeakPolarHBondContact CG-ND2 3.25Å
270D92.7Very high93.2Very high32 Ų3246.9 Ų46.917%0.17124%0.241CC..  trans-85.2167.4176.8-52.2-55.1000110.1R100 T195 D272R100-D270 IonicContact CZ-OD2 2.97Å; R100-D270 VanDerWaalsContact CZ-OD2 3.25Å; R100-D270 IonicContact NH1-OD2 2.74Å; R100-D270 PolarHBondContact NH1-OD2 2.97Å; R100-D270 VanDerWaalsContact NH1-OD2 3.16Å; R100-D270 IonicContact NH2-OD1 3.97Å; R100-D270 IonicContact NH2-OD2 2.85Å; R100-D270 PolarHBondContact NH2-OD2 3.46Å; T195-D270 WeakPolarHBondContact OG1-CA 3.39Å; D270-D272 PolarHBondContact O-N 3.36Å
271V94.2Very high93.6Very high41 Ų4143.9 Ų43.925%0.24823%0.225CC..  trans-78.8115.8171.1-179.80000108.4T195 I197 A274 M294 L296T195-V271 HydrophobicContact CG2-CG2 4.07Å; I197-V271 HydrophobicContact CG2-CG2 4.35Å; V271-A274 HydrophobicContact CG1-CB 3.9Å; V271-M294 HydrophobicContact CG1-CE 4.27Å; V271-M294 HydrophobicContact CG2-CE 3.83Å; V271-L296 HydrophobicContact CG2-CD1 4.4Å; V271-L296 HydrophobicContact CG2-CD2 4.02Å; V271-L296 HydrophobicContact CG2-CG 4.13Å
272D93.8Very high93.9Very high75 Ų7544.1 Ų44.140%0.40122%0.222SC..SBendtrans-74.2-40.4177.6-62.8-56.1000110.9D270 I295 N297 I367D270-D272 PolarHBondContact O-N 3.36Å; D272-I295 HydrophobicContact CB-CB 4.49Å; D272-I295 HydrophobicContact CB-CG2 4.16Å; D272-I295 PolarHBondContact N-O 3.17Å; D272-N297 VanDerWaalsContact OD2-CA 3.25Å; D272-N297 WeakPolarHBondContact OD2-CA 3.43Å; D272-N297 PolarHBondContact OD2-N 3.05Å; D272-I367 HydrophobicContact CB-CG2 4.46Å
273M95.4Very high94.1Very high27 Ų2748.8 Ų48.813%0.13324%0.235CC..EExtended strand (participates in β ladder)trans-156.5142.9176.9-163.8173-175.400110.3M294 I295 K363 W364 I367M273-M294 CarbonylContact O-C 3.51Å; M273-M294 VanDerWaalsContact O-CA 3.32Å; M273-M294 WeakPolarHBondContact O-CA 3.23Å; M273-I295 PolarHBondContact O-N 3.08Å; M273-K363 HydrophobicContact CE-CB 3.53Å; M273-K363 HydrophobicContact SD-CB 4.27Å; M273-W364 HydrophobicContact CB-CE3 4.46Å; M273-W364 HydrophobicContact CB-CH2 4.17Å; M273-W364 HydrophobicContact CB-CZ3 4.04Å; M273-W364 HydrophobicContact CE-CB 4.48Å; M273-W364 HydrophobicContact CE-CD2 3.72Å; M273-W364 HydrophobicContact CE-CE3 4.5Å; M273-W364 HydrophobicContact CE-CG 3.67Å; M273-W364 HydrophobicContact CE-CZ2 4.28Å; M273-W364 HydrophobicContact CG-CD2 4.25Å; M273-W364 HydrophobicContact CG-CE3 4.21Å; M273-W364 HydrophobicContact CG-CH2 3.94Å; M273-W364 HydrophobicContact CG-CZ2 3.99Å; M273-W364 HydrophobicContact CG-CZ3 4.05Å; M273-W364 HydrophobicContact SD-CB 4.31Å; M273-W364 HydrophobicContact SD-CD2 3.34Å; M273-W364 HydrophobicContact SD-CE3 3.54Å; M273-W364 VanDerWaalsContact SD-CE3 3.54Å; M273-W364 HydrophobicContact SD-CG 3.7Å; M273-W364 HydrophobicContact SD-CH2 4.28Å; M273-W364 HydrophobicContact SD-CZ2 4.13Å; M273-W364 HydrophobicContact SD-CZ3 4.01Å; M273-I367 HydrophobicContact CB-CD1 3.81Å; M273-I367 HydrophobicContact CG-CD1 4.16Å; M273-I367 HydrophobicContact SD-CD1 3.75Å
274A96.9Very high94.2Very high34 Ų3453.8 Ų53.828%0.28126%0.256SS..EExtended strand (participates in β ladder)trans-143.1147.9168.500000110.4V271 W292 C293 M294V271-A274 HydrophobicContact CG1-CB 3.9Å; A274-W292 HydrophobicContact CB-CH2 4.45Å; A274-W292 HydrophobicContact CB-CZ2 3.62Å; A274-C293 CarbonylContact C-O 3.46Å; A274-C293 WeakPolarHBondContact CA-O 3.48Å; A274-M294 HydrophobicContact CB-CB 4.46Å; A274-M294 HydrophobicContact CB-CG 3.85Å
275G97.5Very high94.2Very high13 Ų1357.7 Ų57.713%0.13428%0.276CS..EExtended strand (participates in β ladder)trans174.3168.6-17900000113.3C293G275-C293 PolarHBondContact N-O 3.04Å; G275-C293 PolarHBondContact O-N 2.92Å
276W98Very high94.5Very high86 Ų8652.2 Ų52.233%0.32625%0.254SS..EExtended strand (participates in β ladder)trans-77.8132.7174.2-73.2106.8000110.9R290 W292 N305 P306W276-R290 HydrophobicContact CD2-CG 4.44Å; W276-R290 HydrophobicContact CE3-CB 4.4Å; W276-R290 HydrophobicContact CE3-CG 3.75Å; W276-R290 HydrophobicContact CZ3-CB 4.48Å; W276-R290 HydrophobicContact CZ3-CG 4.28Å; W276-W292 AromaticContact CD1-CE3 3.72Å; W276-W292 AromaticContact CD1-CZ3 3.67Å; W276-W292 AromaticContact CD2-CE3 3.9Å; W276-W292 HydrophobicContact CD2-CE3 3.9Å; W276-W292 AromaticContact CE2-CE3 3.8Å; W276-W292 HydrophobicContact CE3-CB 4.28Å; W276-W292 AromaticContact CG-CE3 3.89Å; W276-W292 HydrophobicContact CG-CE3 3.89Å; W276-W292 HydrophobicContact CG-CZ3 4.2Å; W276-W292 HydrophobicContact CH2-CB 4.41Å; W276-W292 HydrophobicContact CZ2-CE3 4.5Å; W276-W292 HydrophobicContact CZ3-CB 4.19Å; W276-W292 AromaticContact NE1-CE3 3.63Å; W276-W292 AromaticContact NE1-CZ3 3.75Å; W276-N305 HydrophobicContact CH2-CB 4.34Å; W276-P306 HydrophobicContact CZ2-CG 4.04Å
277L98.6Very high94.8Very high1 Ų148.9 Ų48.91%0.00526%0.256CS..EExtended strand (participates in β ladder)trans-133.9147.7168-67.1175.2000109.3R291 C293 L342 F353 A355 W364L277-R291 PolarHBondContact N-O 3.11Å; L277-R291 PolarHBondContact O-N 3.04Å; L277-C293 HydrophobicContact CD1-CB 4.06Å; L277-C293 HydrophobicContact CG-CB 4.47Å; L277-L342 HydrophobicContact CD2-CD2 4.35Å; L277-F353 HydrophobicContact CB-CB 4.27Å; L277-F353 HydrophobicContact CB-CD1 4.22Å; L277-F353 HydrophobicContact CD1-CB 3.97Å; L277-F353 HydrophobicContact CD1-CD1 4.09Å; L277-F353 HydrophobicContact CD1-CG 4.16Å; L277-A355 HydrophobicContact CD2-CB 3.7Å; L277-W364 HydrophobicContact CD1-CD2 4.03Å; L277-W364 HydrophobicContact CD1-CG 4.34Å; L277-W364 HydrophobicContact CD1-CZ2 4.11Å; L277-W364 HydrophobicContact CG-CZ2 4.41Å
278S98.4Very high94.9Very high9 Ų950.9 Ų50.96%0.06326%0.263CS..EExtended strand (participates in β ladder)trans-81.3130165.7-70.40000108.8F353 V354S278-F353 CarbonylContact O-C 3.36Å; S278-F353 WeakPolarHBondContact O-CA 3.1Å; S278-V354 PolarHBondContact N-O 3.22Å; S278-V354 PolarHBondContact O-N 3.14Å
279K97.4Very high95Very high15 Ų1558.1 Ų58.17%0.06529%0.29CS..EExtended strand (participates in β ladder)trans-126.1139.5-175.4-178.1-175.4-172.5-63.90110.6R289 R291 Y302 F353K279-R289 PolarHBondContact N-O 2.9Å; K279-R289 PolarHBondContact O-N 3.12Å; K279-R291 HydrophobicContact CB-CB 4.46Å; K279-R291 HydrophobicContact CB-CG 3.9Å; K279-R291 HydrophobicContact CD-CG 4.35Å; K279-Y302 HydrophobicContact CD-CD1 3.96Å; K279-Y302 HydrophobicContact CD-CD2 3.96Å; K279-Y302 HydrophobicContact CD-CE1 3.8Å; K279-Y302 HydrophobicContact CD-CE2 3.79Å; K279-Y302 HydrophobicContact CD-CG 4.04Å; K279-Y302 WeakPolarHBondContact CE-OH 3.44Å; K279-F353 HydrophobicContact CB-CD1 3.85Å; K279-F353 HydrophobicContact CB-CE1 4.1Å; K279-F353 HydrophobicContact CD-CD1 4.23Å; K279-F353 HydrophobicContact CD-CE1 3.6Å; K279-F353 HydrophobicContact CD-CZ 4.23Å; K279-F353 HydrophobicContact CG-CD1 3.87Å; K279-F353 HydrophobicContact CG-CE1 3.75Å
280T96.5Very high95.2Very high4 Ų461 Ų613%0.02530%0.301CS..  trans-108.8168.9169.5-172.40000112.9D286 W288 W334 V352T280-D286 WeakPolarHBondContact OG1-CB 3.01Å; T280-D286 PolarHBondContact OG1-O 3.16Å; T280-W288 HydrophobicContact CG2-CD2 4.41Å; T280-W288 HydrophobicContact CG2-CE3 4.27Å; T280-W288 HydrophobicContact CG2-CH2 3.78Å; T280-W288 HydrophobicContact CG2-CZ2 3.91Å; T280-W288 HydrophobicContact CG2-CZ3 3.96Å; T280-W334 HydrophobicContact CG2-CE3 3.91Å; T280-W334 HydrophobicContact CG2-CZ3 3.81Å; T280-V352 HydrophobicContact CG2-CB 3.84Å; T280-V352 HydrophobicContact CG2-CG1 4.22Å; T280-V352 PolarHBondContact N-O 3.17Å
281G93.6Very high95.5Very high17 Ų1760.7 Ų60.718%0.17530%0.297CS..  trans-77.1-174.2178.600000113.4R283 D286 W334G281-R283 VanDerWaalsContact C-N 3.29Å; G281-R283 PolarHBondContact O-N 3.26Å; G281-D286 WeakPolarHBondContact CA-OD2 3.36Å; G281-W334 VanDerWaalsContact O-CZ3 3.25Å; G281-W334 WeakPolarHBondContact O-CZ3 3.48Å
282P92Very high95.7Very high64 Ų6459.3 Ų59.342%0.41629%0.288SS..SBendtrans-70.6-16.7178.524.1-29.3000115.1D286 W334 R349P282-D286 WeakPolarHBondContact CD-OD2 3.19Å; P282-D286 VanDerWaalsContact N-OD2 3.09Å; P282-W334 WeakPolarHBondContact O-CH2 3.39Å; P282-W334 WeakPolarHBondContact O-CZ2 3.21Å; P282-R349 VanDerWaalsContact CB-CZ 3.48Å
283R91.3Very high95.9Very high185 Ų18555.7 Ų55.770%0.69827%0.269SS*.SBendtrans-101.6145.1-175-52.3173178.2177.6-1.8109.8G281 N285 D286G281-R283 VanDerWaalsContact C-N 3.29Å; G281-R283 PolarHBondContact O-N 3.26Å; R283-N285 PolarHBondContact O-N 2.83Å; R283-D286 WeakPolarHBondContact CB-OD2 3.47Å; R283-D286 PolarHBondContact N-OD2 3.34Å; R283-D286 WeakPolarHBondContact O-CB 3.44Å; R283-D286 PolarHBondContact O-N 3.22Å
284K90.7Very high96Very high120 Ų12054.4 Ų54.452%0.52226%0.262SS..THydrogen-bonded Turntrans-52.8-28.1-178.359.3172.6-174-179.10115.4W334 N335K284-W334 HydrophobicContact CB-CD2 4.23Å; K284-W334 HydrophobicContact CB-CG 3.98Å; K284-N335 PolarHBondContact O-N 3.24Å
285N91.9Very high96Very high108 Ų10852.8 Ų52.858%0.57825%0.249SC*.THydrogen-bonded Turntrans-103.15.7-177-62.7-10.2000113.4R283 N335R283-N285 PolarHBondContact O-N 2.83Å; N285-N335 WeakPolarHBondContact CA-ND2 3.28Å; N285-N335 PolarHBondContact O-ND2 2.78Å
286D94.6Very high95.9Very high43 Ų4352.3 Ų52.323%0.2324%0.243CC..PPolyproline II helixtrans-65.6146.6-179.3-73.7-22.5000111T280 G281 P282 R283T280-D286 WeakPolarHBondContact OG1-CB 3.01Å; T280-D286 PolarHBondContact OG1-O 3.16Å; G281-D286 WeakPolarHBondContact CA-OD2 3.36Å; P282-D286 WeakPolarHBondContact CD-OD2 3.19Å; P282-D286 VanDerWaalsContact N-OD2 3.09Å; R283-D286 WeakPolarHBondContact CB-OD2 3.47Å; R283-D286 PolarHBondContact N-OD2 3.34Å; R283-D286 WeakPolarHBondContact O-CB 3.44Å; R283-D286 PolarHBondContact O-N 3.22Å
287A95.1Very high95.5Very high70 Ų7051.5 Ų51.558%0.57925%0.245SC*.PPolyproline II helixtrans-69.8143.6-179.900000112
288W96.8Very high95.3Very high48 Ų4852 Ų5218%0.18225%0.247CC..PPolyproline II helixtrans-75.1138.6171.6-67.596.7000111.2T280 T330 N335 H337 V352 V354T280-W288 HydrophobicContact CG2-CD2 4.41Å; T280-W288 HydrophobicContact CG2-CE3 4.27Å; T280-W288 HydrophobicContact CG2-CH2 3.78Å; T280-W288 HydrophobicContact CG2-CZ2 3.91Å; T280-W288 HydrophobicContact CG2-CZ3 3.96Å; W288-T330 HydrophobicContact CH2-CG2 4.46Å; W288-N335 VanDerWaalsContact CZ2-O 3.32Å; W288-N335 WeakPolarHBondContact CZ2-O 3.4Å; W288-N335 PolarHBondContact NE1-O 2.89Å; W288-H337 AromaticContact CD1-CD2 3.79Å; W288-H337 HydrophobicContact CD2-CB 3.91Å; W288-H337 AromaticContact CD2-CD2 3.71Å; W288-H337 HydrophobicContact CE3-CB 4.4Å; W288-H337 HydrophobicContact CG-CB 4.3Å; W288-H337 AromaticContact CG-CD2 3.42Å; W288-H337 VanDerWaalsContact CG-CD2 3.42Å; W288-H337 HydrophobicContact CH2-CB 4.37Å; W288-H337 HydrophobicContact CZ2-CB 3.89Å; W288-V352 HydrophobicContact CH2-CG1 3.78Å; W288-V354 HydrophobicContact CE3-CG2 4.38Å; W288-V354 HydrophobicContact CH2-CB 4.48Å; W288-V354 HydrophobicContact CH2-CG2 3.4Å; W288-V354 HydrophobicContact CZ2-CG2 4.23Å; W288-V354 HydrophobicContact CZ3-CB 4.12Å; W288-V354 HydrophobicContact CZ3-CG2 3.49Å; W288-V354 VanDerWaalsContact CZ3-CG2 3.49Å
289R97Very high95.2Very high156 Ų15653 Ų5359%0.58925%0.251SS*.EExtended strand (participates in β ladder)trans-137.7139174.9-60.9-171.8-177.3-148.60.6110.3K279K279-R289 PolarHBondContact N-O 2.9Å; K279-R289 PolarHBondContact O-N 3.12Å
290R97.6Very high95.2Very high133 Ų13352.3 Ų52.350%0.50225%0.248SC..EExtended strand (participates in β ladder)trans-71.5135.1173.6-145.6170.1-172.6-1801.1110.3W276 D356W276-R290 HydrophobicContact CD2-CG 4.44Å; W276-R290 HydrophobicContact CE3-CB 4.4Å; W276-R290 HydrophobicContact CE3-CG 3.75Å; W276-R290 HydrophobicContact CZ3-CB 4.48Å; W276-R290 HydrophobicContact CZ3-CG 4.28Å; R290-D356 IonicContact CZ-OD2 3.25Å; R290-D356 IonicContact NE-OD2 3.89Å; R290-D356 IonicContact NH2-OD2 3.16Å; R290-D356 PolarHBondContact NH2-OD2 2.9Å
291R98.2Very high95.2Very high25 Ų2552.1 Ų52.19%0.09425%0.246CC..EExtended strand (participates in β ladder)trans-139.1137-176.9-63.8-64.9173.5-128.527.6110.7L277 K279 C293 Y302 T303 D304L277-R291 PolarHBondContact N-O 3.11Å; L277-R291 PolarHBondContact O-N 3.04Å; K279-R291 HydrophobicContact CB-CB 4.46Å; K279-R291 HydrophobicContact CB-CG 3.9Å; K279-R291 HydrophobicContact CD-CG 4.35Å; R291-C293 PolarHBondContact O-N 3.23Å; R291-Y302 HydrophobicContact CG-CD2 4.15Å; R291-T303 WeakPolarHBondContact CA-O 3.43Å; R291-T303 VanDerWaalsContact CD-O 3.26Å; R291-T303 WeakPolarHBondContact CD-O 3.36Å; R291-D304 IonicContact CZ-OD1 3.83Å; R291-D304 IonicContact NE-OD1 3.99Å; R291-D304 IonicContact NH1-OD1 2.7Å; R291-D304 PolarHBondContact NH1-OD1 2.77Å; R291-D304 IonicContact NH2-OD1 3.63Å; R291-D304 PolarHBondContact NH2-OD1 3.24Å
292W98.2Very high95.4Very high12 Ų1252.5 Ų52.55%0.04524%0.243CC..EExtended strand (participates in β ladder)trans-78.4113.8167.8-178.2-101.4000107.7D201 Y202 A274 W276 Y302 T303 P306D201-W292 HydrophobicContact CB-CH2 4.09Å; Y202-W292 HydrophobicContact CD2-CZ2 4.46Å; Y202-W292 HydrophobicContact CE1-CZ2 4.45Å; Y202-W292 AromaticContact CE1-NE1 3.72Å; Y202-W292 AromaticContact CE2-CZ2 3.92Å; Y202-W292 HydrophobicContact CE2-CZ2 3.92Å; Y202-W292 AromaticContact CZ-CZ2 3.89Å; Y202-W292 AromaticContact CZ-NE1 3.6Å; Y202-W292 PolarHBondContact OH-NE1 2.71Å; A274-W292 HydrophobicContact CB-CH2 4.45Å; A274-W292 HydrophobicContact CB-CZ2 3.62Å; W276-W292 AromaticContact CD1-CE3 3.72Å; W276-W292 AromaticContact CD1-CZ3 3.67Å; W276-W292 AromaticContact CD2-CE3 3.9Å; W276-W292 HydrophobicContact CD2-CE3 3.9Å; W276-W292 AromaticContact CE2-CE3 3.8Å; W276-W292 HydrophobicContact CE3-CB 4.28Å; W276-W292 AromaticContact CG-CE3 3.89Å; W276-W292 HydrophobicContact CG-CE3 3.89Å; W276-W292 HydrophobicContact CG-CZ3 4.2Å; W276-W292 HydrophobicContact CH2-CB 4.41Å; W276-W292 HydrophobicContact CZ2-CE3 4.5Å; W276-W292 HydrophobicContact CZ3-CB 4.19Å; W276-W292 AromaticContact NE1-CE3 3.63Å; W276-W292 AromaticContact NE1-CZ3 3.75Å; W292-Y302 CarbonylContact O-C 3.59Å; W292-Y302 WeakPolarHBondContact O-CA 3.28Å; W292-T303 PolarHBondContact N-O 3Å; W292-T303 PolarHBondContact O-N 3.09Å; W292-T303 PolarHBondContact O-OG1 2.85Å; W292-P306 HydrophobicContact CB-CG 4.3Å; W292-P306 HydrophobicContact CD2-CB 3.93Å; W292-P306 HydrophobicContact CD2-CG 3.65Å; W292-P306 HydrophobicContact CE3-CB 4.47Å; W292-P306 HydrophobicContact CE3-CG 3.76Å; W292-P306 HydrophobicContact CG-CB 4.01Å; W292-P306 HydrophobicContact CG-CG 3.91Å; W292-P306 HydrophobicContact CZ2-CB 4.48Å; W292-P306 HydrophobicContact CZ3-CG 4.29Å
293C98.5Very high95.6Very high0 Ų049.5 Ų49.50%022%0.223CC..EExtended strand (participates in β ladder)trans-103.7147.1-177.3-61.20000109.8A274 G275 L277 R291 F300 L301 W364A274-C293 CarbonylContact C-O 3.46Å; A274-C293 WeakPolarHBondContact CA-O 3.48Å; G275-C293 PolarHBondContact N-O 3.04Å; G275-C293 PolarHBondContact O-N 2.92Å; L277-C293 HydrophobicContact CD1-CB 4.06Å; L277-C293 HydrophobicContact CG-CB 4.47Å; R291-C293 PolarHBondContact O-N 3.23Å; C293-F300 HydrophobicContact CB-CE1 4.12Å; C293-F300 HydrophobicContact CB-CZ 3.75Å; C293-L301 CarbonylContact C-O 3.49Å; C293-L301 WeakPolarHBondContact CA-O 3.37Å; C293-W364 HydrophobicContact CB-CH2 3.9Å; C293-W364 HydrophobicContact CB-CZ2 4.16Å
294M97.5Very high95.9Very high0 Ų044 Ų440%021%0.208CC..EExtended strand (participates in β ladder)trans-144.1143.2-179.9-58.2176.75900110.3Y202 L210 V271 M273 A274 L296 F300 L301Y202-M294 HydrophobicContact CE1-SD 4.5Å; Y202-M294 WeakPolarHBondContact OH-CE 3.47Å; Y202-M294 PolarHBondContact OH-SD 3.22Å; L210-M294 HydrophobicContact CD2-CE 3.96Å; V271-M294 HydrophobicContact CG1-CE 4.27Å; V271-M294 HydrophobicContact CG2-CE 3.83Å; M273-M294 CarbonylContact O-C 3.51Å; M273-M294 VanDerWaalsContact O-CA 3.32Å; M273-M294 WeakPolarHBondContact O-CA 3.23Å; A274-M294 HydrophobicContact CB-CB 4.46Å; A274-M294 HydrophobicContact CB-CG 3.85Å; M294-L296 HydrophobicContact CB-CD1 4.36Å; M294-L296 HydrophobicContact CE-CD1 4.07Å; M294-F300 CarbonylContact O-C 3.56Å; M294-F300 WeakPolarHBondContact O-CA 3.49Å; M294-L301 HydrophobicContact CB-CD1 4Å; M294-L301 HydrophobicContact CB-CG 4.27Å; M294-L301 HydrophobicContact CG-CD1 4.24Å; M294-L301 PolarHBondContact N-O 3.24Å; M294-L301 PolarHBondContact O-N 3.27Å; M294-L301 HydrophobicContact SD-CD1 4.09Å
295I97.2Very high96.1Very high0 Ų041.7 Ų41.70%020%0.201CC..EExtended strand (participates in β ladder)trans-118.5128.9167.7-68.2166.9000108.7D272 M273 N297 H299 F300 I317 W364 I367 I368 I371D272-I295 HydrophobicContact CB-CB 4.49Å; D272-I295 HydrophobicContact CB-CG2 4.16Å; D272-I295 PolarHBondContact N-O 3.17Å; M273-I295 PolarHBondContact O-N 3.08Å; I295-N297 WeakPolarHBondContact CG2-O 3.15Å; I295-H299 WeakPolarHBondContact CA-O 3.46Å; I295-F300 HydrophobicContact CD1-CD2 3.69Å; I295-F300 HydrophobicContact CD1-CE2 4.08Å; I295-F300 HydrophobicContact CG1-CB 4.24Å; I295-F300 HydrophobicContact CG1-CD2 3.39Å; I295-F300 HydrophobicContact CG1-CE2 4.03Å; I295-F300 HydrophobicContact CG1-CG 4.13Å; I295-I317 HydrophobicContact CD1-CD1 4.46Å; I295-W364 HydrophobicContact CD1-CE3 3.74Å; I295-W364 HydrophobicContact CD1-CZ3 3.49Å; I295-W364 VanDerWaalsContact CD1-CZ3 3.49Å; I295-W364 HydrophobicContact CG1-CZ3 3.8Å; I295-I367 HydrophobicContact CD1-CG2 4.23Å; I295-I368 HydrophobicContact CD1-CD1 4.36Å; I295-I368 HydrophobicContact CD1-CG1 3.73Å; I295-I371 HydrophobicContact CG2-CD1 3.68Å
296L94.2Very high96.3Very high2 Ų237.5 Ų37.51%0.0118%0.18CC..EExtended strand (participates in β ladder)trans-127110.9164.4-62.791.7000109.1N193 T195 V271 M294 R298 H299N193-L296 WeakPolarHBondContact ND2-CD2 3.27Å; T195-L296 HydrophobicContact CG2-CD2 4.33Å; V271-L296 HydrophobicContact CG2-CD1 4.4Å; V271-L296 HydrophobicContact CG2-CD2 4.02Å; V271-L296 HydrophobicContact CG2-CG 4.13Å; M294-L296 HydrophobicContact CB-CD1 4.36Å; M294-L296 HydrophobicContact CE-CD1 4.07Å; L296-R298 PolarHBondContact O-N 3.18Å; L296-H299 PolarHBondContact N-O 2.92Å; L296-H299 WeakPolarHBondContact O-CB 3.45Å; L296-H299 PolarHBondContact O-N 3.02Å
297N91.2Very high96.4Very high69 Ų6936.6 Ų36.637%0.36918%0.175SC..THydrogen-bonded Turntrans50.7-104.1-166.5-62.69.2000111.3R269 D272 I295 I371R269-N297 VanDerWaalsContact CD-ND2 3.33Å; R269-N297 WeakPolarHBondContact CD-ND2 3.18Å; R269-N297 WeakPolarHBondContact CG-ND2 3.25Å; D272-N297 VanDerWaalsContact OD2-CA 3.25Å; D272-N297 WeakPolarHBondContact OD2-CA 3.43Å; D272-N297 PolarHBondContact OD2-N 3.05Å; I295-N297 WeakPolarHBondContact CG2-O 3.15Å; N297-I371 WeakPolarHBondContact O-CD1 3.35Å
298R94.3Very high96.4Very high11 Ų1133.7 Ų33.74%0.04215%0.15CC..THydrogen-bonded Turntrans-101.5-1.5179.1-67.2-175.2-179.8-79.1-0.9113.5L296 F300 F316 I317 I371 I374 P375 E380L296-R298 PolarHBondContact O-N 3.18Å; R298-F300 PolarHBondContact O-N 2.66Å; R298-F316 HydrophobicContact CB-CD1 4.49Å; R298-F316 HydrophobicContact CB-CD2 4.35Å; R298-F316 HydrophobicContact CB-CE1 4Å; R298-F316 HydrophobicContact CB-CE2 3.88Å; R298-F316 HydrophobicContact CB-CZ 3.68Å; R298-F316 VanDerWaalsContact CD-CZ 3.44Å; R298-F316 HydrophobicContact CG-CE1 4.47Å; R298-F316 HydrophobicContact CG-CZ 4.2Å; R298-F316 CarbonylContact O-C 3.57Å; R298-F316 WeakPolarHBondContact O-CA 3.38Å; R298-I317 WeakPolarHBondContact CD-O 3.45Å; R298-I317 PolarHBondContact NH1-O 3.46Å; R298-I317 PolarHBondContact O-N 2.5Å; R298-I371 HydrophobicContact CG-CG2 3.79Å; R298-I371 PolarHBondContact NH1-O 3.38Å; R298-I374 PolarHBondContact NH2-O 2.85Å; R298-P375 PolarHBondContact NH2-O 2.85Å; R298-E380 VanDerWaalsContact CD-OE1 3.23Å; R298-E380 WeakPolarHBondContact CD-OE1 3.25Å; R298-E380 IonicContact CZ-OE1 2.77Å; R298-E380 IonicContact NE-OE1 2.93Å; R298-E380 PolarHBondContact NE-OE1 3.19Å; R298-E380 IonicContact NE-OE2 3Å
299H94.6Very high96.4Very high31 Ų3133 Ų3314%0.14415%0.151CC..EExtended strand (participates in β ladder)trans-95.5100.8-175.4-173.1-156.3000109.9T219 I295 L296 E314T219-H299 PolarHBondContact OG1-CE1 2.79Å; T219-H299 VanDerWaalsContact OG1-CE1 3.22Å; I295-H299 WeakPolarHBondContact CA-O 3.46Å; L296-H299 PolarHBondContact N-O 2.92Å; L296-H299 WeakPolarHBondContact O-CB 3.45Å; L296-H299 PolarHBondContact O-N 3.02Å; H299-E314 WeakPolarHBondContact NE2-CB 3.17Å
300F97.2Very high96.3Very high0 Ų028.4 Ų28.40%014%0.136CC..EExtended strand (participates in β ladder)trans-87.5127.4169.8-170.8-69.7000108.7C293 M294 I295 R298 Y302 E314 L315 I317 I344 F353 W364 I368C293-F300 HydrophobicContact CB-CE1 4.12Å; C293-F300 HydrophobicContact CB-CZ 3.75Å; M294-F300 CarbonylContact O-C 3.56Å; M294-F300 WeakPolarHBondContact O-CA 3.49Å; I295-F300 HydrophobicContact CD1-CD2 3.69Å; I295-F300 HydrophobicContact CD1-CE2 4.08Å; I295-F300 HydrophobicContact CG1-CB 4.24Å; I295-F300 HydrophobicContact CG1-CD2 3.39Å; I295-F300 HydrophobicContact CG1-CE2 4.03Å; I295-F300 HydrophobicContact CG1-CG 4.13Å; R298-F300 PolarHBondContact O-N 2.66Å; F300-Y302 HydrophobicContact CD1-CD1 4.47Å; F300-Y302 HydrophobicContact CE1-CD1 4.16Å; F300-E314 CarbonylContact O-C 3.59Å; F300-E314 VanDerWaalsContact O-CA 3.25Å; F300-E314 WeakPolarHBondContact O-CA 2.85Å; F300-L315 HydrophobicContact CB-CB 4.25Å; F300-L315 PolarHBondContact N-O 2.91Å; F300-L315 PolarHBondContact O-N 3.19Å; F300-L315 VanDerWaalsContact O-O 3.11Å; F300-I317 HydrophobicContact CB-CD1 3.9Å; F300-I317 HydrophobicContact CB-CG1 4.11Å; F300-I317 HydrophobicContact CD2-CD1 4.25Å; F300-I344 HydrophobicContact CD2-CD1 3.97Å; F300-I344 HydrophobicContact CE2-CD1 4.11Å; F300-I344 HydrophobicContact CG-CD1 4.5Å; F300-F353 HydrophobicContact CD1-CZ 4.22Å; F300-F353 AromaticContact CE1-CE1 3.66Å; F300-F353 HydrophobicContact CE1-CE1 3.66Å; F300-F353 HydrophobicContact CE1-CE2 4.12Å; F300-F353 AromaticContact CE1-CZ 3.32Å; F300-F353 HydrophobicContact CE1-CZ 3.32Å; F300-F353 HydrophobicContact CZ-CD1 4.39Å; F300-F353 AromaticContact CZ-CE1 3.74Å; F300-F353 HydrophobicContact CZ-CE1 3.74Å; F300-F353 AromaticContact CZ-CE2 3.96Å; F300-F353 HydrophobicContact CZ-CE2 3.96Å; F300-F353 AromaticContact CZ-CZ 3.51Å; F300-F353 HydrophobicContact CZ-CZ 3.51Å; F300-W364 HydrophobicContact CE2-CE3 4.18Å; F300-W364 AromaticContact CE2-CZ3 3.87Å; F300-W364 HydrophobicContact CE2-CZ3 3.87Å; F300-I368 HydrophobicContact CE2-CD1 4.49Å
301L97Very high96.2Very high0 Ų022.5 Ų22.50%012%0.116CC..EExtended strand (participates in β ladder)trans-136.3161.6173.465.382.2000111T219 C293 M294 T303 A311 G313 E314T219-L301 HydrophobicContact CG2-CD2 4.03Å; C293-L301 CarbonylContact C-O 3.49Å; C293-L301 WeakPolarHBondContact CA-O 3.37Å; M294-L301 HydrophobicContact CB-CD1 4Å; M294-L301 HydrophobicContact CB-CG 4.27Å; M294-L301 HydrophobicContact CG-CD1 4.24Å; M294-L301 PolarHBondContact N-O 3.24Å; M294-L301 PolarHBondContact O-N 3.27Å; M294-L301 HydrophobicContact SD-CD1 4.09Å; L301-T303 HydrophobicContact CD1-CG2 4.36Å; L301-A311 HydrophobicContact CB-CB 4.34Å; L301-G313 WeakPolarHBondContact CA-O 3.45Å; L301-E314 HydrophobicContact CB-CB 3.98Å
302Y97.9Very high96.1Very high26 Ų2627.4 Ų27.410%0.10214%0.138CC..EExtended strand (participates in β ladder)trans-141.8146.7174.958.2-95.4000112.2K279 R291 W292 F300 K312 G313 F353K279-Y302 HydrophobicContact CD-CD1 3.96Å; K279-Y302 HydrophobicContact CD-CD2 3.96Å; K279-Y302 HydrophobicContact CD-CE1 3.8Å; K279-Y302 HydrophobicContact CD-CE2 3.79Å; K279-Y302 HydrophobicContact CD-CG 4.04Å; K279-Y302 WeakPolarHBondContact CE-OH 3.44Å; R291-Y302 HydrophobicContact CG-CD2 4.15Å; W292-Y302 CarbonylContact O-C 3.59Å; W292-Y302 WeakPolarHBondContact O-CA 3.28Å; F300-Y302 HydrophobicContact CD1-CD1 4.47Å; F300-Y302 HydrophobicContact CE1-CD1 4.16Å; Y302-K312 HydrophobicContact CD2-CB 4.08Å; Y302-K312 HydrophobicContact CE2-CB 4.13Å; Y302-K312 HydrophobicContact CE2-CG 4.22Å; Y302-K312 WeakPolarHBondContact O-CA 3.39Å; Y302-K312 WeakPolarHBondContact O-CB 3.03Å; Y302-K312 PolarHBondContact O-N 2.9Å; Y302-G313 PolarHBondContact N-O 3.1Å; Y302-G313 PolarHBondContact O-N 2.99Å; Y302-F353 HydrophobicContact CD1-CE1 4.38Å; Y302-F353 HydrophobicContact CD1-CZ 4.47Å
303T97.4Very high95.9Very high0 Ų027.3 Ų27.30%014%0.141CC..EExtended strand (participates in β ladder)trans-128.5167.7-178.256.90000111.5R291 W292 L301 N305R291-T303 WeakPolarHBondContact CA-O 3.43Å; R291-T303 VanDerWaalsContact CD-O 3.26Å; R291-T303 WeakPolarHBondContact CD-O 3.36Å; W292-T303 PolarHBondContact N-O 3Å; W292-T303 PolarHBondContact O-N 3.09Å; W292-T303 PolarHBondContact O-OG1 2.85Å; L301-T303 HydrophobicContact CD1-CG2 4.36Å; T303-N305 VanDerWaalsContact C-N 3.33Å; T303-N305 WeakPolarHBondContact CB-O 3.32Å; T303-N305 PolarHBondContact OG1-O 2.86Å
304D95.9Very high95.7Very high71 Ų7128.3 Ų28.338%0.3815%0.145SC..SBendtrans-70.2-31.6174.5-70.3-58.5000111.7R291R291-D304 IonicContact CZ-OD1 3.83Å; R291-D304 IonicContact NE-OD1 3.99Å; R291-D304 IonicContact NH1-OD1 2.7Å; R291-D304 PolarHBondContact NH1-OD1 2.77Å; R291-D304 IonicContact NH2-OD1 3.63Å; R291-D304 PolarHBondContact NH2-OD1 3.24Å
305N95.6Very high95.5Very high71 Ų7128.9 Ų28.938%0.3815%0.148SC..SBendtrans-151.2166173.266.367.4000111.6W276 T303 L307 S308W276-N305 HydrophobicContact CH2-CB 4.34Å; T303-N305 VanDerWaalsContact C-N 3.33Å; T303-N305 WeakPolarHBondContact CB-O 3.32Å; T303-N305 PolarHBondContact OG1-O 2.86Å; N305-L307 PolarHBondContact O-N 2.9Å; N305-L307 VanDerWaalsContact O-N 3.1Å; N305-L307 WeakPolarHBondContact OD1-CA 2.99Å; N305-L307 PolarHBondContact OD1-N 2.83Å; N305-S308 VanDerWaalsContact CG-OG 3.29Å; N305-S308 PolarHBondContact N-OG 3.2Å; N305-S308 PolarHBondContact ND2-OG 3.06Å; N305-S308 WeakPolarHBondContact O-CB 3.38Å; N305-S308 PolarHBondContact O-N 2.82Å; N305-S308 VanDerWaalsContact O-N 3.14Å; N305-S308 PolarHBondContact O-OG 3.26Å; N305-S308 PolarHBondContact OD1-N 3.46Å; N305-S308 PolarHBondContact OD1-OG 3.26Å
306P96.3Very high95.4Very high19 Ų1929.3 Ų29.312%0.12315%0.15CC..THydrogen-bonded Turntrans-58.8-27-175.5-23.532.7000114.4Y202 F223 W276 W292Y202-P306 HydrophobicContact CD1-CB 3.78Å; Y202-P306 HydrophobicContact CE1-CB 4.11Å; Y202-P306 WeakPolarHBondContact CE1-O 3.22Å; Y202-P306 HydrophobicContact CG-CB 4.42Å; F223-P306 WeakPolarHBondContact CZ-O 3.25Å; W276-P306 HydrophobicContact CZ2-CG 4.04Å; W292-P306 HydrophobicContact CB-CG 4.3Å; W292-P306 HydrophobicContact CD2-CB 3.93Å; W292-P306 HydrophobicContact CD2-CG 3.65Å; W292-P306 HydrophobicContact CE3-CB 4.47Å; W292-P306 HydrophobicContact CE3-CG 3.76Å; W292-P306 HydrophobicContact CG-CB 4.01Å; W292-P306 HydrophobicContact CG-CG 3.91Å; W292-P306 HydrophobicContact CZ2-CB 4.48Å; W292-P306 HydrophobicContact CZ3-CG 4.29Å
307L96.6Very high95.5Very high25 Ų2529.2 Ų29.213%0.13115%0.149CC..THydrogen-bonded Turntrans-101.110.1-175.2-55.2-173.1000113.9T156 Y202 L204 F223 N305T156-L307 HydrophobicContact CG2-CD1 4.19Å; Y202-L307 HydrophobicContact CD1-CD2 4.19Å; L204-L307 HydrophobicContact CD1-CD2 3.6Å; L204-L307 HydrophobicContact CD2-CD1 3.93Å; L204-L307 HydrophobicContact CD2-CD2 3.8Å; L204-L307 HydrophobicContact CG-CD2 3.78Å; F223-L307 HydrophobicContact CD1-CD2 4.47Å; F223-L307 HydrophobicContact CE1-CD2 4.07Å; F223-L307 HydrophobicContact CE2-CB 4.42Å; F223-L307 HydrophobicContact CE2-CD2 4.29Å; F223-L307 HydrophobicContact CZ-CD2 3.99Å; N305-L307 PolarHBondContact O-N 2.9Å; N305-L307 VanDerWaalsContact O-N 3.1Å; N305-L307 WeakPolarHBondContact OD1-CA 2.99Å; N305-L307 PolarHBondContact OD1-N 2.83Å
308S95.9Very high95.7Very high9 Ų926 Ų266%0.06313%0.133CC..  trans-61.5133.5-178.3-64.60000110.3N305 F310N305-S308 VanDerWaalsContact CG-OG 3.29Å; N305-S308 PolarHBondContact N-OG 3.2Å; N305-S308 PolarHBondContact ND2-OG 3.06Å; N305-S308 WeakPolarHBondContact O-CB 3.38Å; N305-S308 PolarHBondContact O-N 2.82Å; N305-S308 VanDerWaalsContact O-N 3.14Å; N305-S308 PolarHBondContact O-OG 3.26Å; N305-S308 PolarHBondContact OD1-N 3.46Å; N305-S308 PolarHBondContact OD1-OG 3.26Å; S308-F310 VanDerWaalsContact C-N 3.27Å; S308-F310 PolarHBondContact O-N 3.31Å
309P95.9Very high95.7Very high32 Ų3225.7 Ų25.721%0.20813%0.132CC..SBendtrans-71.7-20.4-177.427.9-34.9000113.1R153 R220 H221R153-P309 HydrophobicContact CG-CB 3.73Å; R153-P309 HydrophobicContact CG-CG 3.81Å; R220-P309 CarbonylContact C-O 3.6Å; R220-P309 VanDerWaalsContact CA-O 3.25Å; R220-P309 WeakPolarHBondContact CA-O 3.16Å; R220-P309 WeakPolarHBondContact CG-O 3.5Å; H221-P309 PolarHBondContact N-O 2.92Å
310F95.6Very high95.8Very high61 Ų6128.3 Ų28.327%0.26815%0.147SC..BIsolated β-bridgetrans-134.3144.3-179.5-66.7-83.8000111.1Q215 T219 R220 S308 K312Q215-F310 HydrophobicContact CB-CE1 4.47Å; Q215-F310 HydrophobicContact CG-CE1 4.47Å; T219-F310 WeakPolarHBondContact O-CA 3.48Å; R220-F310 HydrophobicContact CB-CD1 3.93Å; R220-F310 HydrophobicContact CB-CE1 3.75Å; R220-F310 HydrophobicContact CG-CD1 4.16Å; R220-F310 HydrophobicContact CG-CE1 3.79Å; R220-F310 HydrophobicContact CG-CZ 4.1Å; S308-F310 VanDerWaalsContact C-N 3.27Å; S308-F310 PolarHBondContact O-N 3.31Å; F310-K312 PolarHBondContact O-N 3.14Å
311A95.7Very high95.6Very high9 Ų936.6 Ų36.67%0.07418%0.183CC..  trans-59.8132.2168.400000110.4T219 L301 E314T219-A311 PolarHBondContact O-N 3.16Å; L301-A311 HydrophobicContact CB-CB 4.34Å; A311-E314 WeakPolarHBondContact CB-OE1 3.27Å
312K94.8Very high95.3Very high128 Ų12839.7 Ų39.756%0.55720%0.198SC*.SBendtrans-78.2-31.6172.5-173.364.2176.8-172.80111Y302 F310Y302-K312 HydrophobicContact CD2-CB 4.08Å; Y302-K312 HydrophobicContact CE2-CB 4.13Å; Y302-K312 HydrophobicContact CE2-CG 4.22Å; Y302-K312 WeakPolarHBondContact O-CA 3.39Å; Y302-K312 WeakPolarHBondContact O-CB 3.03Å; Y302-K312 PolarHBondContact O-N 2.9Å; F310-K312 PolarHBondContact O-N 3.14Å
313G94.4Very high95.1Very high10 Ų1040.6 Ų40.610%0.10322%0.215CC..EExtended strand (participates in β ladder)trans-164.4164.3167.200000110.8L301 Y302L301-G313 WeakPolarHBondContact CA-O 3.45Å; Y302-G313 PolarHBondContact N-O 3.1Å; Y302-G313 PolarHBondContact O-N 2.99Å
314E94.4Very high95.1Very high21 Ų2142.2 Ų42.210%0.09822%0.222CC..EExtended strand (participates in β ladder)trans-152.5154.9-170.940.2-175.67800109.9T219 H299 F300 L301 A311 V387 K390T219-E314 VanDerWaalsContact CB-OE1 3.3Å; T219-E314 WeakPolarHBondContact CB-OE1 3.3Å; T219-E314 PolarHBondContact N-OE1 2.99Å; T219-E314 PolarHBondContact OG1-OE1 3.16Å; H299-E314 WeakPolarHBondContact NE2-CB 3.17Å; F300-E314 CarbonylContact O-C 3.59Å; F300-E314 VanDerWaalsContact O-CA 3.25Å; F300-E314 WeakPolarHBondContact O-CA 2.85Å; L301-E314 HydrophobicContact CB-CB 3.98Å; A311-E314 WeakPolarHBondContact CB-OE1 3.27Å; E314-V387 HydrophobicContact CB-CG1 4.36Å; E314-V387 HydrophobicContact CG-CG1 4.22Å; E314-K390 VanDerWaalsContact CD-CE 3.49Å; E314-K390 HydrophobicContact CG-CD 3.98Å; E314-K390 IonicContact OE1-NZ 2.83Å; E314-K390 PolarHBondContact OE1-NZ 2.7Å; E314-K390 VanDerWaalsContact OE2-CD 3.28Å; E314-K390 WeakPolarHBondContact OE2-CD 3.47Å; E314-K390 WeakPolarHBondContact OE2-CE 3.32Å; E314-K390 IonicContact OE2-NZ 2.74Å; E314-K390 PolarHBondContact OE2-NZ 3.36Å
315L93.7Very high95.2Very high11 Ų1141.1 Ų41.16%0.05822%0.219CC..EExtended strand (participates in β ladder)trans-145.4129.8-175.4169.363.7000107.8F300 I317 Y324 I344 T346 F351F300-L315 HydrophobicContact CB-CB 4.25Å; F300-L315 PolarHBondContact N-O 2.91Å; F300-L315 PolarHBondContact O-N 3.19Å; F300-L315 VanDerWaalsContact O-O 3.11Å; L315-I317 HydrophobicContact CD2-CG1 4.32Å; L315-I317 HydrophobicContact CG-CG1 4.38Å; L315-Y324 HydrophobicContact CD1-CE1 4.14Å; L315-I344 HydrophobicContact CD2-CB 4.39Å; L315-I344 HydrophobicContact CD2-CD1 4.15Å; L315-I344 HydrophobicContact CD2-CG2 3.97Å; L315-T346 HydrophobicContact CD1-CG2 3.96Å; L315-T346 HydrophobicContact CD2-CG2 4.38Å; L315-F351 HydrophobicContact CB-CE1 4.14Å; L315-F351 HydrophobicContact CB-CZ 4.04Å; L315-F351 HydrophobicContact CD1-CD2 4.43Å; L315-F351 HydrophobicContact CD1-CE2 3.71Å; L315-F351 HydrophobicContact CD1-CZ 3.81Å; L315-F351 HydrophobicContact CD2-CD1 4.45Å; L315-F351 HydrophobicContact CD2-CD2 3.92Å; L315-F351 HydrophobicContact CD2-CE2 4.01Å; L315-F351 HydrophobicContact CD2-CG 4.12Å; L315-F351 HydrophobicContact CD2-CZ 4.26Å; L315-F351 HydrophobicContact CG-CE2 4.32Å; L315-F351 HydrophobicContact CG-CZ 4.26Å
316F94.4Very high95.4Very high9 Ų938.5 Ų38.54%0.03921%0.206CC..EExtended strand (participates in β ladder)trans-85.7121162.2-170.7-78.7000108.5R298 G318 Y324 L376 E380 Q383 A384 V387R298-F316 HydrophobicContact CB-CD1 4.49Å; R298-F316 HydrophobicContact CB-CD2 4.35Å; R298-F316 HydrophobicContact CB-CE1 4Å; R298-F316 HydrophobicContact CB-CE2 3.88Å; R298-F316 HydrophobicContact CB-CZ 3.68Å; R298-F316 VanDerWaalsContact CD-CZ 3.44Å; R298-F316 HydrophobicContact CG-CE1 4.47Å; R298-F316 HydrophobicContact CG-CZ 4.2Å; R298-F316 CarbonylContact O-C 3.57Å; R298-F316 WeakPolarHBondContact O-CA 3.38Å; F316-G318 PolarHBondContact O-N 2.85Å; F316-Y324 WeakPolarHBondContact O-CE1 3.31Å; F316-Y324 VanDerWaalsContact O-CZ 3.29Å; F316-Y324 PolarHBondContact O-OH 3.02Å; F316-L376 HydrophobicContact CE1-CD2 3.52Å; F316-L376 HydrophobicContact CE1-CG 4.5Å; F316-L376 HydrophobicContact CZ-CD2 3.99Å; F316-E380 HydrophobicContact CZ-CB 4Å; F316-E380 HydrophobicContact CZ-CG 4.44Å; F316-Q383 HydrophobicContact CE2-CB 3.99Å; F316-A384 HydrophobicContact CB-CB 4.39Å; F316-A384 HydrophobicContact CD1-CB 3.61Å; F316-A384 HydrophobicContact CD2-CB 4.17Å; F316-A384 HydrophobicContact CE1-CB 3.88Å; F316-A384 HydrophobicContact CE2-CB 4.38Å; F316-A384 HydrophobicContact CG-CB 3.78Å; F316-A384 HydrophobicContact CZ-CB 4.24Å; F316-V387 HydrophobicContact CB-CB 4.18Å; F316-V387 HydrophobicContact CB-CG1 4.44Å; F316-V387 HydrophobicContact CB-CG2 4.26Å
317I96.1Very high95.5Very high0 Ų039.9 Ų39.90%021%0.214CC..  trans-84.2106.8177.3-57.1174.5000108.7I295 R298 F300 L315 Y324 I368 I371 I372I295-I317 HydrophobicContact CD1-CD1 4.46Å; R298-I317 WeakPolarHBondContact CD-O 3.45Å; R298-I317 PolarHBondContact NH1-O 3.46Å; R298-I317 PolarHBondContact O-N 2.5Å; F300-I317 HydrophobicContact CB-CD1 3.9Å; F300-I317 HydrophobicContact CB-CG1 4.11Å; F300-I317 HydrophobicContact CD2-CD1 4.25Å; L315-I317 HydrophobicContact CD2-CG1 4.32Å; L315-I317 HydrophobicContact CG-CG1 4.38Å; I317-Y324 HydrophobicContact CG2-CD1 4.24Å; I317-I368 HydrophobicContact CD1-CG1 4.36Å; I317-I368 HydrophobicContact CD1-CG2 4.48Å; I317-I371 HydrophobicContact CB-CG2 4.04Å; I317-I371 HydrophobicContact CD1-CD1 4.5Å; I317-I371 HydrophobicContact CG2-CB 4.46Å; I317-I371 HydrophobicContact CG2-CG2 3.75Å; I317-I372 HydrophobicContact CG2-CD1 4.29Å; I317-I372 HydrophobicContact CG2-CG1 3.62Å
318G95.3Very high95.5Very high2 Ų243.7 Ų43.72%0.02124%0.235CC..  trans-74.5-165.8173.500000112.5F316 Y324F316-G318 PolarHBondContact O-N 2.85Å; G318-Y324 VanDerWaalsContact N-CD1 3.32Å; G318-Y324 VanDerWaalsContact N-CZ 3.34Å
319S96.1Very high95.5Very high4 Ų445.8 Ų45.83%0.02825%0.249CC..  trans-105.6176.9176.985.30000111.6K321 E322 Y324 I372 I374S319-K321 PolarHBondContact O-N 3.28Å; S319-K321 VanDerWaalsContact O-N 3.17Å; S319-K321 PolarHBondContact OG-N 3.27Å; S319-E322 VanDerWaalsContact CA-OE2 3.27Å; S319-E322 WeakPolarHBondContact CA-OE2 3.41Å; S319-E322 WeakPolarHBondContact CB-OE2 3.48Å; S319-E322 PolarHBondContact N-OE2 2.79Å; S319-E322 PolarHBondContact O-N 3.49Å; S319-E322 PolarHBondContact OG-OE2 3.36Å; S319-Y324 WeakPolarHBondContact O-CB 3.18Å; S319-Y324 PolarHBondContact O-N 3.45Å; S319-I372 CarbonylContact C-O 3.51Å; S319-I372 WeakPolarHBondContact CA-O 3.24Å; S319-I372 VanDerWaalsContact CB-O 3.31Å; S319-I372 WeakPolarHBondContact CB-O 3.21Å; S319-I374 VanDerWaalsContact CB-O 3.24Å; S319-I374 WeakPolarHBondContact CB-O 3.4Å
320N95.3Very high95.5Very high86 Ų8646 Ų4646%0.4625%0.25SC..G310 helixtrans-51.6-35171.4-69.9-49.3000112.1E322 G323 Y324 I372 N373N320-E322 VanDerWaalsContact C-N 3.28Å; N320-E322 PolarHBondContact O-N 3.27Å; N320-G323 PolarHBondContact O-N 2.92Å; N320-G323 VanDerWaalsContact O-N 3.12Å; N320-Y324 PolarHBondContact OD1-O 2.79Å; N320-I372 HydrophobicContact CB-CG2 4.46Å; N320-I372 PolarHBondContact N-O 2.96Å; N320-I372 VanDerWaalsContact N-O 3.07Å; N320-I372 WeakPolarHBondContact OD1-CG2 3.34Å; N320-N373 PolarHBondContact ND2-OD1 3.42Å; N320-N373 VanDerWaalsContact ND2-OD1 3.14Å
321K93.1Very high95.4Very high174 Ų17444.5 Ų44.576%0.75725%0.246SC*.G310 helixtrans-66.9-28.4-179.2-69.2-170.9176.5-174.10113.3S319 G323S319-K321 PolarHBondContact O-N 3.28Å; S319-K321 VanDerWaalsContact O-N 3.17Å; S319-K321 PolarHBondContact OG-N 3.27Å; K321-G323 VanDerWaalsContact C-N 3.28Å
322E91.6Very high95.3Very high66 Ų6651.9 Ų51.931%0.30828%0.284SS..G310 helixtrans-93.812.6177.2-60.370.3-144.700111.8S319 N320 Y324 L376S319-E322 VanDerWaalsContact CA-OE2 3.27Å; S319-E322 WeakPolarHBondContact CA-OE2 3.41Å; S319-E322 WeakPolarHBondContact CB-OE2 3.48Å; S319-E322 PolarHBondContact N-OE2 2.79Å; S319-E322 PolarHBondContact O-N 3.49Å; S319-E322 PolarHBondContact OG-OE2 3.36Å; N320-E322 VanDerWaalsContact C-N 3.28Å; N320-E322 PolarHBondContact O-N 3.27Å; E322-Y324 HydrophobicContact CB-CD2 3.99Å; E322-Y324 HydrophobicContact CB-CE2 4.15Å; E322-L376 HydrophobicContact CG-CD1 3.91Å; E322-L376 WeakPolarHBondContact OE2-CD1 3.16Å
323G94Very high95.1Very high45 Ų4548.9 Ų48.946%0.46429%0.29SS..THydrogen-bonded Turntrans7822.2176.100000114.4N320 K321N320-G323 PolarHBondContact O-N 2.92Å; N320-G323 VanDerWaalsContact O-N 3.12Å; K321-G323 VanDerWaalsContact C-N 3.28Å
324Y97.4Very high95.1Very high34 Ų3450.2 Ų50.213%0.13329%0.292CS..  trans-84138.2173.4-75-110.3000110.5L315 F316 I317 G318 S319 N320 E322 H345 T346 I372L315-Y324 HydrophobicContact CD1-CE1 4.14Å; F316-Y324 WeakPolarHBondContact O-CE1 3.31Å; F316-Y324 VanDerWaalsContact O-CZ 3.29Å; F316-Y324 PolarHBondContact O-OH 3.02Å; I317-Y324 HydrophobicContact CG2-CD1 4.24Å; G318-Y324 VanDerWaalsContact N-CD1 3.32Å; G318-Y324 VanDerWaalsContact N-CZ 3.34Å; S319-Y324 WeakPolarHBondContact O-CB 3.18Å; S319-Y324 PolarHBondContact O-N 3.45Å; N320-Y324 PolarHBondContact OD1-O 2.79Å; E322-Y324 HydrophobicContact CB-CD2 3.99Å; E322-Y324 HydrophobicContact CB-CE2 4.15Å; Y324-H345 WeakPolarHBondContact CA-O 3.49Å; Y324-T346 HydrophobicContact CD1-CG2 4Å; Y324-T346 HydrophobicContact CE1-CG2 3.6Å; Y324-I372 WeakPolarHBondContact O-CG2 3.28Å
325S98.2Very high94.8Very high47 Ų4752.5 Ų52.533%0.32931%0.305SS..EExtended strand (participates in β ladder)trans-149.5167.817067.40000110.1H345S325-H345 PolarHBondContact N-O 3.38Å; S325-H345 PolarHBondContact O-N 3.19Å; S325-H345 WeakPolarHBondContact OG-CB 3.33Å; S325-H345 PolarHBondContact OG-CD2 2.83Å
326V98.5Very high94.4Very high17 Ų1763 Ų6310%0.10334%0.344CS..EExtended strand (participates in β ladder)trans-133.6136.7174.6690000110.4T343 I344 L365 I368 Q369 I372V326-T343 CarbonylContact C-O 3.53Å; V326-T343 VanDerWaalsContact CA-O 3.27Å; V326-T343 WeakPolarHBondContact CA-O 3.5Å; V326-T343 WeakPolarHBondContact CG2-O 3.36Å; V326-I344 HydrophobicContact CG2-CG1 4.31Å; V326-L365 HydrophobicContact CB-CD2 4.48Å; V326-L365 HydrophobicContact CG1-CD2 4.25Å; V326-L365 HydrophobicContact CG2-CD2 3.55Å; V326-I368 HydrophobicContact CB-CG2 3.76Å; V326-I368 HydrophobicContact CG1-CB 4.39Å; V326-I368 HydrophobicContact CG1-CG2 3.96Å; V326-I368 HydrophobicContact CG2-CB 4.43Å; V326-I368 HydrophobicContact CG2-CG2 3.93Å; V326-Q369 HydrophobicContact CG1-CB 4.08Å; V326-I372 HydrophobicContact CB-CD1 4.26Å; V326-I372 HydrophobicContact CG1-CD1 4.42Å
327T98.1Very high94.2Very high47 Ų4765.7 Ų65.729%0.28836%0.356SS..EExtended strand (participates in β ladder)trans-126.2155.9177.462.70000111.2S329 L342 T343 H345T327-S329 VanDerWaalsContact C-N 3.25Å; T327-S329 PolarHBondContact O-N 2.93Å; T327-S329 PolarHBondContact OG1-OG 3.09Å; T327-L342 CarbonylContact O-C 3.22Å; T327-L342 VanDerWaalsContact O-CA 3.23Å; T327-L342 WeakPolarHBondContact O-CA 3.28Å; T327-T343 PolarHBondContact N-O 3.33Å; T327-T343 PolarHBondContact O-N 3.25Å; T327-H345 WeakPolarHBondContact CG2-NE2 3.43Å; T327-H345 PolarHBondContact OG1-NE2 3.47Å
328N97.8Very high94Very high106 Ų10673 Ų7357%0.56740%0.395SS*.SBendtrans-90.128.8178.367.5-11000113.2P341 L365N328-P341 CarbonylContact C-O 3.01Å; N328-P341 VanDerWaalsContact CA-O 3.25Å; N328-P341 WeakPolarHBondContact CA-O 3.25Å; N328-P341 VanDerWaalsContact O-O 3.13Å; N328-L365 HydrophobicContact CB-CD1 3.7Å
329S95.9Very high94.1Very high53 Ų5374.6 Ų74.637%0.37141%0.412SS..SBendtrans-140.5157.6-173.660.80000110.8T327 T343T327-S329 VanDerWaalsContact C-N 3.25Å; T327-S329 PolarHBondContact O-N 2.93Å; T327-S329 PolarHBondContact OG1-OG 3.09Å; S329-T343 WeakPolarHBondContact O-CB 3.19Å; S329-T343 PolarHBondContact O-OG1 2.88Å
330T94.8Very high94.2Very high35 Ų3579 Ų7922%0.21543%0.428CS..PPolyproline II helixtrans-81.6153.1164.558.60000109.6W288 P341 V352W288-T330 HydrophobicContact CH2-CG2 4.46Å; T330-P341 HydrophobicContact CG2-CB 3.69Å; T330-P341 HydrophobicContact CG2-CG 4.44Å; T330-V352 HydrophobicContact CG2-CG1 3.79Å
331P94.2Very high94.3Very high30 Ų3076.3 Ų76.320%0.19542%0.416CS..PPolyproline II helixtrans-61.2155.9170-15.828.5000111.7W334 T343 P350 V352P331-W334 HydrophobicContact CB-CD2 4.47Å; P331-W334 HydrophobicContact CB-CG 4.2Å; P331-W334 HydrophobicContact CG-CD2 4.22Å; P331-W334 HydrophobicContact CG-CG 4.37Å; P331-W334 HydrophobicContact CG-CZ2 4.47Å; P331-W334 WeakPolarHBondContact O-CB 3.39Å; P331-W334 PolarHBondContact O-N 3.3Å; P331-T343 HydrophobicContact CG-CG2 4.32Å; P331-P350 HydrophobicContact CG-CB 4.21Å; P331-P350 HydrophobicContact CG-CG 4.22Å; P331-V352 HydrophobicContact CG-CG2 4.07Å
332D92.4Very high94.5Very high164 Ų16468 Ų6888%0.87738%0.38SS*.THydrogen-bonded Turntrans-61.6137.3-175.1-66.4-34.5000112.8W334D332-W334 PolarHBondContact O-N 3.31Å
333G92.2Very high94.9Very high66 Ų6664.9 Ų64.968%0.6837%0.365SS*.THydrogen-bonded Turntrans746.7179.300000115.2
334W93.3Very high95.1Very high38 Ų3862.7 Ų62.714%0.14434%0.343CS..PPolyproline II helixtrans-79.6149.1173.3-74.451.8000111.5T280 G281 P282 K284 P331 D332 R336 P350 V352T280-W334 HydrophobicContact CG2-CE3 3.91Å; T280-W334 HydrophobicContact CG2-CZ3 3.81Å; G281-W334 VanDerWaalsContact O-CZ3 3.25Å; G281-W334 WeakPolarHBondContact O-CZ3 3.48Å; P282-W334 WeakPolarHBondContact O-CH2 3.39Å; P282-W334 WeakPolarHBondContact O-CZ2 3.21Å; K284-W334 HydrophobicContact CB-CD2 4.23Å; K284-W334 HydrophobicContact CB-CG 3.98Å; P331-W334 HydrophobicContact CB-CD2 4.47Å; P331-W334 HydrophobicContact CB-CG 4.2Å; P331-W334 HydrophobicContact CG-CD2 4.22Å; P331-W334 HydrophobicContact CG-CG 4.37Å; P331-W334 HydrophobicContact CG-CZ2 4.47Å; P331-W334 WeakPolarHBondContact O-CB 3.39Å; P331-W334 PolarHBondContact O-N 3.3Å; D332-W334 PolarHBondContact O-N 3.31Å; W334-R336 PolarHBondContact O-N 2.75Å; W334-P350 HydrophobicContact CH2-CG 4.04Å; W334-P350 HydrophobicContact CZ2-CG 3.88Å; W334-V352 HydrophobicContact CE3-CB 4.48Å; W334-V352 HydrophobicContact CE3-CG2 3.86Å; W334-V352 HydrophobicContact CH2-CG2 4.13Å; W334-V352 HydrophobicContact CZ3-CB 4.31Å; W334-V352 HydrophobicContact CZ3-CG2 3.62Å
335N88.1Confident95Very high68 Ų6863.6 Ų63.636%0.36435%0.348SS..PPolyproline II helixtrans-51.8126.5175.5-78.3-11.9000111.1K284 N285 W288K284-N335 PolarHBondContact O-N 3.24Å; N285-N335 WeakPolarHBondContact CA-ND2 3.28Å; N285-N335 PolarHBondContact O-ND2 2.78Å; W288-N335 VanDerWaalsContact CZ2-O 3.32Å; W288-N335 WeakPolarHBondContact CZ2-O 3.4Å; W288-N335 PolarHBondContact NE1-O 2.89Å
336R85.4Confident94.9Very high231 Ų23162.3 Ų62.387%0.87234%0.339SS*.PPolyproline II helixtrans-71.4155.6175.2-62.6-175.6-178.3-1750.6110.7W334W334-R336 PolarHBondContact O-N 2.75Å
337H90.9Very high94.4Very high67 Ų6767 Ų6731%0.3137%0.372SS..  trans-140.5144.3170.7-170.8-80.1000107.5W288 V354W288-H337 AromaticContact CD1-CD2 3.79Å; W288-H337 HydrophobicContact CD2-CB 3.91Å; W288-H337 AromaticContact CD2-CD2 3.71Å; W288-H337 HydrophobicContact CE3-CB 4.4Å; W288-H337 HydrophobicContact CG-CB 4.3Å; W288-H337 AromaticContact CG-CD2 3.42Å; W288-H337 VanDerWaalsContact CG-CD2 3.42Å; W288-H337 HydrophobicContact CH2-CB 4.37Å; W288-H337 HydrophobicContact CZ2-CB 3.89Å; H337-V354 HydrophobicContact CB-CG1 4.43Å; H337-V354 HydrophobicContact CB-CG2 4.07Å
338N92.4Very high94Very high153 Ų15368.6 Ų68.682%0.81839%0.39SS*.SBendtrans-67.5135.9175.9-65.9-14.3000109.5
339G96.4Very high93.7Very high36 Ų3665.9 Ų65.937%0.37137%0.372SS..SBendtrans122-157.2-177.500000112.2A355G339-A355 WeakPolarHBondContact CA-O 3.29Å
340Y98.1Very high93.7Very high95 Ų9564.9 Ų64.937%0.37336%0.364SS..EExtended strand (participates in β ladder)trans-117.5101.7-167-60.7-87.1000110.3A355 K358Y340-A355 PolarHBondContact N-O 3.07Å; Y340-A355 PolarHBondContact O-N 3.31Å; Y340-K358 HydrophobicContact CD1-CB 3.88Å; Y340-K358 HydrophobicContact CD1-CG 4.02Å; Y340-K358 HydrophobicContact CD2-CB 4.33Å; Y340-K358 VanDerWaalsContact CD2-N 3.31Å; Y340-K358 HydrophobicContact CE1-CB 3.63Å; Y340-K358 HydrophobicContact CE1-CD 4.16Å; Y340-K358 HydrophobicContact CE1-CG 3.94Å; Y340-K358 HydrophobicContact CE2-CB 4.1Å; Y340-K358 VanDerWaalsContact CE2-N 3.34Å; Y340-K358 HydrophobicContact CG-CB 4.22Å
341P97.9Very high93.8Very high30 Ų3063.3 Ų63.320%0.19535%0.354CS..EExtended strand (participates in β ladder)trans-74.3144.5-171.727.9-33.1000112.9N328 T330 F353 V354 Q361N328-P341 CarbonylContact C-O 3.01Å; N328-P341 VanDerWaalsContact CA-O 3.25Å; N328-P341 WeakPolarHBondContact CA-O 3.25Å; N328-P341 VanDerWaalsContact O-O 3.13Å; T330-P341 HydrophobicContact CG2-CB 3.69Å; T330-P341 HydrophobicContact CG2-CG 4.44Å; P341-F353 CarbonylContact C-O 3.52Å; P341-F353 WeakPolarHBondContact CA-O 3.44Å; P341-V354 HydrophobicContact CB-CG2 4.02Å; P341-Q361 PolarHBondContact O-NE2 2.89Å
342L98Very high93.9Very high0 Ų062 Ų620%035%0.345CS..EExtended strand (participates in β ladder)trans-135.6135.9164.963120.4000110.3L277 T327 F353 Q361 W364 L365 I368L277-L342 HydrophobicContact CD2-CD2 4.35Å; T327-L342 CarbonylContact O-C 3.22Å; T327-L342 VanDerWaalsContact O-CA 3.23Å; T327-L342 WeakPolarHBondContact O-CA 3.28Å; L342-F353 HydrophobicContact CD1-CB 4.33Å; L342-F353 HydrophobicContact CD1-CD2 4.38Å; L342-F353 HydrophobicContact CG-CB 4.08Å; L342-F353 PolarHBondContact N-O 3.37Å; L342-F353 PolarHBondContact O-N 3.12Å; L342-F353 VanDerWaalsContact O-O 3.09Å; L342-Q361 HydrophobicContact CB-CG 4.43Å; L342-Q361 HydrophobicContact CD2-CG 4.09Å; L342-W364 HydrophobicContact CD1-CB 4.2Å; L342-W364 HydrophobicContact CD2-CB 4.05Å; L342-W364 HydrophobicContact CD2-CG 4.45Å; L342-L365 HydrophobicContact CB-CD2 3.78Å; L342-L365 HydrophobicContact CB-CG 4.28Å; L342-I368 HydrophobicContact CD1-CD1 3.93Å
343T98Very high94.2Very high0 Ų054.1 Ų54.10%030%0.304CS..EExtended strand (participates in β ladder)trans-122120.8-179.8-61.60000109.9V326 T327 S329 P331 H345 P350 F351 V352V326-T343 CarbonylContact C-O 3.53Å; V326-T343 VanDerWaalsContact CA-O 3.27Å; V326-T343 WeakPolarHBondContact CA-O 3.5Å; V326-T343 WeakPolarHBondContact CG2-O 3.36Å; T327-T343 PolarHBondContact N-O 3.33Å; T327-T343 PolarHBondContact O-N 3.25Å; S329-T343 WeakPolarHBondContact O-CB 3.19Å; S329-T343 PolarHBondContact O-OG1 2.88Å; P331-T343 HydrophobicContact CG-CG2 4.32Å; T343-H345 VanDerWaalsContact CG2-CE1 3.45Å; T343-H345 WeakPolarHBondContact CG2-CE1 3.26Å; T343-P350 HydrophobicContact CG2-CB 3.62Å; T343-F351 WeakPolarHBondContact CA-O 3.39Å; T343-V352 HydrophobicContact CG2-CG2 3.99Å
344I98.2Very high94.5Very high0 Ų051 Ų510%027%0.271CS..EExtended strand (participates in β ladder)trans-87.6113.7168.7-48.4175.8000107.4F300 L315 V326 F351 F353 I368F300-I344 HydrophobicContact CD2-CD1 3.97Å; F300-I344 HydrophobicContact CE2-CD1 4.11Å; F300-I344 HydrophobicContact CG-CD1 4.5Å; L315-I344 HydrophobicContact CD2-CB 4.39Å; L315-I344 HydrophobicContact CD2-CD1 4.15Å; L315-I344 HydrophobicContact CD2-CG2 3.97Å; V326-I344 HydrophobicContact CG2-CG1 4.31Å; I344-F351 HydrophobicContact CB-CB 4.35Å; I344-F351 PolarHBondContact N-O 2.87Å; I344-F351 PolarHBondContact O-N 3.06Å; I344-F353 HydrophobicContact CD1-CE2 4.15Å; I344-F353 HydrophobicContact CG1-CE2 4.49Å; I344-I368 HydrophobicContact CD1-CD1 3.75Å; I344-I368 HydrophobicContact CD1-CG1 4.45Å; I344-I368 HydrophobicContact CD1-CG2 4.47Å; I344-I368 HydrophobicContact CG1-CD1 4.02Å; I344-I368 HydrophobicContact CG1-CG2 4.34Å
345H97.2Very high94.8Very high52 Ų5249.2 Ų49.224%0.24127%0.265CS..EExtended strand (participates in β ladder)trans-86.2137.5176.8-60.2-79.6000109.7Y324 S325 T327 T343Y324-H345 WeakPolarHBondContact CA-O 3.49Å; S325-H345 PolarHBondContact N-O 3.38Å; S325-H345 PolarHBondContact O-N 3.19Å; S325-H345 WeakPolarHBondContact OG-CB 3.33Å; S325-H345 PolarHBondContact OG-CD2 2.83Å; T327-H345 WeakPolarHBondContact CG2-NE2 3.43Å; T327-H345 PolarHBondContact OG1-NE2 3.47Å; T343-H345 VanDerWaalsContact CG2-CE1 3.45Å; T343-H345 WeakPolarHBondContact CG2-CE1 3.26Å
346T94.4Very high95.2Very high21 Ų2149.2 Ų49.213%0.12926%0.264CS..  trans-136.6162.7175.377.50000108L315 Y324 A348 R349 F351L315-T346 HydrophobicContact CD1-CG2 3.96Å; L315-T346 HydrophobicContact CD2-CG2 4.38Å; Y324-T346 HydrophobicContact CD1-CG2 4Å; Y324-T346 HydrophobicContact CE1-CG2 3.6Å; T346-A348 PolarHBondContact O-N 2.74Å; T346-A348 PolarHBondContact OG1-N 2.83Å; T346-R349 PolarHBondContact OG1-N 2.96Å; T346-R349 VanDerWaalsContact OG1-N 3.12Å; T346-R349 PolarHBondContact OG1-O 2.98Å; T346-F351 HydrophobicContact CG2-CD2 4Å; T346-F351 HydrophobicContact CG2-CE2 3.94Å
347S89.2Confident95.8Very high115 Ų11544 Ų4480%0.80425%0.248SC*.SBendtrans-59.1-27.5176.157.10000114
348A88.5Confident96.1Very high80 Ų8045.6 Ų45.666%0.66125%0.254SS*.SBendtrans-91.5-42.7-177.100000113.6T346T346-A348 PolarHBondContact O-N 2.74Å; T346-A348 PolarHBondContact OG1-N 2.83Å
349R92.3Very high96.4Very high49 Ų4943.7 Ų43.719%0.18524%0.24CC..  trans-166.6155.5-178.955174.8-85-176.53.8112.3P282 T346 F351P282-R349 VanDerWaalsContact CB-CZ 3.48Å; T346-R349 PolarHBondContact OG1-N 2.96Å; T346-R349 VanDerWaalsContact OG1-N 3.12Å; T346-R349 PolarHBondContact OG1-O 2.98Å; R349-F351 HydrophobicContact CG-CD2 4.41Å; R349-F351 HydrophobicContact CG-CE2 3.99Å
350P95.2Very high96.4Very high33 Ų3345.3 Ų45.321%0.21424%0.238CC..  trans-70.8148.7164.829.9-33.8000111.5P331 W334 T343 V352P331-P350 HydrophobicContact CG-CB 4.21Å; P331-P350 HydrophobicContact CG-CG 4.22Å; W334-P350 HydrophobicContact CH2-CG 4.04Å; W334-P350 HydrophobicContact CZ2-CG 3.88Å; T343-P350 HydrophobicContact CG2-CB 3.62Å; P350-V352 HydrophobicContact CB-CG2 4.24Å
351F97.3Very high96.4Very high2 Ų241.5 Ų41.51%0.00922%0.224CC..EExtended strand (participates in β ladder)trans-115.5107.7166-69.4-109.9000108.4L315 T343 I344 T346 R349 F353L315-F351 HydrophobicContact CB-CE1 4.14Å; L315-F351 HydrophobicContact CB-CZ 4.04Å; L315-F351 HydrophobicContact CD1-CD2 4.43Å; L315-F351 HydrophobicContact CD1-CE2 3.71Å; L315-F351 HydrophobicContact CD1-CZ 3.81Å; L315-F351 HydrophobicContact CD2-CD1 4.45Å; L315-F351 HydrophobicContact CD2-CD2 3.92Å; L315-F351 HydrophobicContact CD2-CE2 4.01Å; L315-F351 HydrophobicContact CD2-CG 4.12Å; L315-F351 HydrophobicContact CD2-CZ 4.26Å; L315-F351 HydrophobicContact CG-CE2 4.32Å; L315-F351 HydrophobicContact CG-CZ 4.26Å; T343-F351 WeakPolarHBondContact CA-O 3.39Å; I344-F351 HydrophobicContact CB-CB 4.35Å; I344-F351 PolarHBondContact N-O 2.87Å; I344-F351 PolarHBondContact O-N 3.06Å; T346-F351 HydrophobicContact CG2-CD2 4Å; T346-F351 HydrophobicContact CG2-CE2 3.94Å; R349-F351 HydrophobicContact CG-CD2 4.41Å; R349-F351 HydrophobicContact CG-CE2 3.99Å; F351-F353 HydrophobicContact CB-CE2 3.65Å; F351-F353 HydrophobicContact CB-CZ 4.23Å; F351-F353 WeakPolarHBondContact O-CD2 3.43Å
352V97.5Very high96.5Very high1 Ų144.7 Ų44.71%0.00624%0.236CC..EExtended strand (participates in β ladder)trans-101.9127.3-171.6-170.30000109.9T280 W288 T330 P331 W334 T343 P350T280-V352 HydrophobicContact CG2-CB 3.84Å; T280-V352 HydrophobicContact CG2-CG1 4.22Å; T280-V352 PolarHBondContact N-O 3.17Å; W288-V352 HydrophobicContact CH2-CG1 3.78Å; T330-V352 HydrophobicContact CG2-CG1 3.79Å; P331-V352 HydrophobicContact CG-CG2 4.07Å; W334-V352 HydrophobicContact CE3-CB 4.48Å; W334-V352 HydrophobicContact CE3-CG2 3.86Å; W334-V352 HydrophobicContact CH2-CG2 4.13Å; W334-V352 HydrophobicContact CZ3-CB 4.31Å; W334-V352 HydrophobicContact CZ3-CG2 3.62Å; T343-V352 HydrophobicContact CG2-CG2 3.99Å; P350-V352 HydrophobicContact CB-CG2 4.24Å
353F98.2Very high96.5Very high0 Ų050.6 Ų50.60%026%0.262CS..EExtended strand (participates in β ladder)trans-131.6162.1177.8-53.5-95.8000110.7L277 S278 K279 F300 Y302 P341 L342 I344 F351L277-F353 HydrophobicContact CB-CB 4.27Å; L277-F353 HydrophobicContact CB-CD1 4.22Å; L277-F353 HydrophobicContact CD1-CB 3.97Å; L277-F353 HydrophobicContact CD1-CD1 4.09Å; L277-F353 HydrophobicContact CD1-CG 4.16Å; S278-F353 CarbonylContact O-C 3.36Å; S278-F353 WeakPolarHBondContact O-CA 3.1Å; K279-F353 HydrophobicContact CB-CD1 3.85Å; K279-F353 HydrophobicContact CB-CE1 4.1Å; K279-F353 HydrophobicContact CD-CD1 4.23Å; K279-F353 HydrophobicContact CD-CE1 3.6Å; K279-F353 HydrophobicContact CD-CZ 4.23Å; K279-F353 HydrophobicContact CG-CD1 3.87Å; K279-F353 HydrophobicContact CG-CE1 3.75Å; F300-F353 HydrophobicContact CD1-CZ 4.22Å; F300-F353 AromaticContact CE1-CE1 3.66Å; F300-F353 HydrophobicContact CE1-CE1 3.66Å; F300-F353 HydrophobicContact CE1-CE2 4.12Å; F300-F353 AromaticContact CE1-CZ 3.32Å; F300-F353 HydrophobicContact CE1-CZ 3.32Å; F300-F353 HydrophobicContact CZ-CD1 4.39Å; F300-F353 AromaticContact CZ-CE1 3.74Å; F300-F353 HydrophobicContact CZ-CE1 3.74Å; F300-F353 AromaticContact CZ-CE2 3.96Å; F300-F353 HydrophobicContact CZ-CE2 3.96Å; F300-F353 AromaticContact CZ-CZ 3.51Å; F300-F353 HydrophobicContact CZ-CZ 3.51Å; Y302-F353 HydrophobicContact CD1-CE1 4.38Å; Y302-F353 HydrophobicContact CD1-CZ 4.47Å; P341-F353 CarbonylContact C-O 3.52Å; P341-F353 WeakPolarHBondContact CA-O 3.44Å; L342-F353 HydrophobicContact CD1-CB 4.33Å; L342-F353 HydrophobicContact CD1-CD2 4.38Å; L342-F353 HydrophobicContact CG-CB 4.08Å; L342-F353 PolarHBondContact N-O 3.37Å; L342-F353 PolarHBondContact O-N 3.12Å; L342-F353 VanDerWaalsContact O-O 3.09Å; I344-F353 HydrophobicContact CD1-CE2 4.15Å; I344-F353 HydrophobicContact CG1-CE2 4.49Å; F351-F353 HydrophobicContact CB-CE2 3.65Å; F351-F353 HydrophobicContact CB-CZ 4.23Å; F351-F353 WeakPolarHBondContact O-CD2 3.43Å
354V98.2Very high96.5Very high1 Ų150.7 Ų50.71%0.00626%0.262CS..EExtended strand (participates in β ladder)trans-138.7125.1176.8173.10000108.4S278 W288 H337 P341S278-V354 PolarHBondContact N-O 3.22Å; S278-V354 PolarHBondContact O-N 3.14Å; W288-V354 HydrophobicContact CE3-CG2 4.38Å; W288-V354 HydrophobicContact CH2-CB 4.48Å; W288-V354 HydrophobicContact CH2-CG2 3.4Å; W288-V354 HydrophobicContact CZ2-CG2 4.23Å; W288-V354 HydrophobicContact CZ3-CB 4.12Å; W288-V354 HydrophobicContact CZ3-CG2 3.49Å; W288-V354 VanDerWaalsContact CZ3-CG2 3.49Å; H337-V354 HydrophobicContact CB-CG1 4.43Å; H337-V354 HydrophobicContact CB-CG2 4.07Å; P341-V354 HydrophobicContact CB-CG2 4.02Å
355A98.5Very high96.5Very high0 Ų052.1 Ų52.10%027%0.269CS..EExtended strand (participates in β ladder)trans-88.4151.5171.500000110.6L277 G339 Y340 K357 E360 Q361L277-A355 HydrophobicContact CD2-CB 3.7Å; G339-A355 WeakPolarHBondContact CA-O 3.29Å; Y340-A355 PolarHBondContact N-O 3.07Å; Y340-A355 PolarHBondContact O-N 3.31Å; A355-K357 VanDerWaalsContact C-N 3.34Å; A355-E360 HydrophobicContact CB-CB 4.11Å; A355-Q361 HydrophobicContact CB-CB 3.94Å
356D97.6Very high96.6Very high67 Ų6756.2 Ų56.236%0.35829%0.289SS..SBendtrans-75.7-28.7179.6-63.9-30.7000111.1R290R290-D356 IonicContact CZ-OD2 3.25Å; R290-D356 IonicContact NE-OD2 3.89Å; R290-D356 IonicContact NH2-OD2 3.16Å; R290-D356 PolarHBondContact NH2-OD2 2.9Å
357K97.8Very high96.7Very high122 Ų12257.3 Ų57.353%0.5329%0.293SS..SBendtrans-125.5151.9-177.9-62.2-178.5-178176.80112.3A355 E359 E360 Q361A355-K357 VanDerWaalsContact C-N 3.34Å; K357-E359 WeakPolarHBondContact CB-OE2 3.16Å; K357-E360 HydrophobicContact CB-CB 4.45Å; K357-E360 HydrophobicContact CB-CG 4.19Å; K357-E360 PolarHBondContact O-N 3.46Å; K357-Q361 PolarHBondContact O-N 3.07Å
358K97.9Very high97.2Very high100 Ų10051.8 Ų51.844%0.43526%0.255SS..Hα-helixtrans-65.9-42.7-178.7-170.5174.5174.9-1730111.4Y340 E360 Q361 E362Y340-K358 HydrophobicContact CD1-CB 3.88Å; Y340-K358 HydrophobicContact CD1-CG 4.02Å; Y340-K358 HydrophobicContact CD2-CB 4.33Å; Y340-K358 VanDerWaalsContact CD2-N 3.31Å; Y340-K358 HydrophobicContact CE1-CB 3.63Å; Y340-K358 HydrophobicContact CE1-CD 4.16Å; Y340-K358 HydrophobicContact CE1-CG 3.94Å; Y340-K358 HydrophobicContact CE2-CB 4.1Å; Y340-K358 VanDerWaalsContact CE2-N 3.34Å; Y340-K358 HydrophobicContact CG-CB 4.22Å; K358-E360 PolarHBondContact O-N 3.2Å; K358-Q361 WeakPolarHBondContact O-CB 3.37Å; K358-Q361 PolarHBondContact O-N 2.95Å; K358-Q361 VanDerWaalsContact O-N 3.17Å; K358-E362 WeakPolarHBondContact CE-OE1 3.17Å; K358-E362 HydrophobicContact CG-CG 4.42Å; K358-E362 IonicContact NZ-OE1 3.98Å; K358-E362 WeakPolarHBondContact O-CG 3.32Å; K358-E362 PolarHBondContact O-N 3.46Å
359E97.7Very high97.6Very high114 Ų11451 Ų5153%0.53324%0.238SC..Hα-helixtrans-65.2-30.9-178.2-53.276-163.700111.5K357 K363K357-E359 WeakPolarHBondContact CB-OE2 3.16Å; E359-K363 VanDerWaalsContact O-CG 3.28Å; E359-K363 WeakPolarHBondContact O-CG 3.34Å; E359-K363 PolarHBondContact O-N 3.42Å
360E97.2Very high97.9Very high70 Ų7055.4 Ų55.433%0.32726%0.258SS..Hα-helixtrans-71-46.7174.1-69.7175.8178.100111.2A355 K357 K358 E362 K363 W364A355-E360 HydrophobicContact CB-CB 4.11Å; K357-E360 HydrophobicContact CB-CB 4.45Å; K357-E360 HydrophobicContact CB-CG 4.19Å; K357-E360 PolarHBondContact O-N 3.46Å; K358-E360 PolarHBondContact O-N 3.2Å; E360-E362 VanDerWaalsContact C-N 3.33Å; E360-E362 PolarHBondContact O-N 3.38Å; E360-K363 PolarHBondContact O-N 3.36Å; E360-W364 PolarHBondContact O-N 2.9Å
361Q98.3Very high98Very high15 Ų1554.6 Ų54.67%0.0725%0.252CS..Hα-helixtrans-56-48.4174.9-177.4-149.437.400111P341 L342 A355 K357 K358 K363 W364 L365P341-Q361 PolarHBondContact O-NE2 2.89Å; L342-Q361 HydrophobicContact CB-CG 4.43Å; L342-Q361 HydrophobicContact CD2-CG 4.09Å; A355-Q361 HydrophobicContact CB-CB 3.94Å; K357-Q361 PolarHBondContact O-N 3.07Å; K358-Q361 WeakPolarHBondContact O-CB 3.37Å; K358-Q361 PolarHBondContact O-N 2.95Å; K358-Q361 VanDerWaalsContact O-N 3.17Å; Q361-K363 VanDerWaalsContact C-N 3.33Å; Q361-K363 PolarHBondContact O-N 3.45Å; Q361-W364 PolarHBondContact O-N 3.47Å; Q361-L365 HydrophobicContact CG-CD1 3.86Å; Q361-L365 HydrophobicContact CG-CG 4.31Å; Q361-L365 WeakPolarHBondContact O-CB 3.28Å; Q361-L365 VanDerWaalsContact O-CG 3.3Å; Q361-L365 WeakPolarHBondContact O-CG 3.46Å; Q361-L365 PolarHBondContact O-N 2.83Å
362E98.5Very high98Very high96 Ų9654.5 Ų54.545%0.44925%0.252SS..Hα-helixtrans-58.6-43.9-179.5-73.8173.9165.500111.5K358 E360 L365 E366K358-E362 WeakPolarHBondContact CE-OE1 3.17Å; K358-E362 HydrophobicContact CG-CG 4.42Å; K358-E362 IonicContact NZ-OE1 3.98Å; K358-E362 WeakPolarHBondContact O-CG 3.32Å; K358-E362 PolarHBondContact O-N 3.46Å; E360-E362 VanDerWaalsContact C-N 3.33Å; E360-E362 PolarHBondContact O-N 3.38Å; E362-L365 PolarHBondContact O-N 3.45Å; E362-E366 WeakPolarHBondContact O-CB 3.47Å; E362-E366 PolarHBondContact O-N 2.98Å
363K97.9Very high98Very high124 Ų12458.8 Ų58.854%0.53927%0.274SS..Hα-helixtrans-62.1-44.1174.6-73174.6-176.7-174.80112.9M273 E359 E360 Q361 E366 I367M273-K363 HydrophobicContact CE-CB 3.53Å; M273-K363 HydrophobicContact SD-CB 4.27Å; E359-K363 VanDerWaalsContact O-CG 3.28Å; E359-K363 WeakPolarHBondContact O-CG 3.34Å; E359-K363 PolarHBondContact O-N 3.42Å; E360-K363 PolarHBondContact O-N 3.36Å; Q361-K363 VanDerWaalsContact C-N 3.33Å; Q361-K363 PolarHBondContact O-N 3.45Å; K363-E366 PolarHBondContact O-N 3.49Å; K363-I367 WeakPolarHBondContact O-CG1 3.41Å; K363-I367 PolarHBondContact O-N 3.5Å; K363-I367 VanDerWaalsContact O-N 3.07Å
364W98.5Very high97.8Very high3 Ų363 Ų631%0.01130%0.296CS..Hα-helixtrans-61.2-46.5176.2-79.1110.6000111.2M273 L277 C293 I295 F300 L342 E360 Q361 I367 I368M273-W364 HydrophobicContact CB-CE3 4.46Å; M273-W364 HydrophobicContact CB-CH2 4.17Å; M273-W364 HydrophobicContact CB-CZ3 4.04Å; M273-W364 HydrophobicContact CE-CB 4.48Å; M273-W364 HydrophobicContact CE-CD2 3.72Å; M273-W364 HydrophobicContact CE-CE3 4.5Å; M273-W364 HydrophobicContact CE-CG 3.67Å; M273-W364 HydrophobicContact CE-CZ2 4.28Å; M273-W364 HydrophobicContact CG-CD2 4.25Å; M273-W364 HydrophobicContact CG-CE3 4.21Å; M273-W364 HydrophobicContact CG-CH2 3.94Å; M273-W364 HydrophobicContact CG-CZ2 3.99Å; M273-W364 HydrophobicContact CG-CZ3 4.05Å; M273-W364 HydrophobicContact SD-CB 4.31Å; M273-W364 HydrophobicContact SD-CD2 3.34Å; M273-W364 HydrophobicContact SD-CE3 3.54Å; M273-W364 VanDerWaalsContact SD-CE3 3.54Å; M273-W364 HydrophobicContact SD-CG 3.7Å; M273-W364 HydrophobicContact SD-CH2 4.28Å; M273-W364 HydrophobicContact SD-CZ2 4.13Å; M273-W364 HydrophobicContact SD-CZ3 4.01Å; L277-W364 HydrophobicContact CD1-CD2 4.03Å; L277-W364 HydrophobicContact CD1-CG 4.34Å; L277-W364 HydrophobicContact CD1-CZ2 4.11Å; L277-W364 HydrophobicContact CG-CZ2 4.41Å; C293-W364 HydrophobicContact CB-CH2 3.9Å; C293-W364 HydrophobicContact CB-CZ2 4.16Å; I295-W364 HydrophobicContact CD1-CE3 3.74Å; I295-W364 HydrophobicContact CD1-CZ3 3.49Å; I295-W364 VanDerWaalsContact CD1-CZ3 3.49Å; I295-W364 HydrophobicContact CG1-CZ3 3.8Å; F300-W364 HydrophobicContact CE2-CE3 4.18Å; F300-W364 AromaticContact CE2-CZ3 3.87Å; F300-W364 HydrophobicContact CE2-CZ3 3.87Å; L342-W364 HydrophobicContact CD1-CB 4.2Å; L342-W364 HydrophobicContact CD2-CB 4.05Å; L342-W364 HydrophobicContact CD2-CG 4.45Å; E360-W364 PolarHBondContact O-N 2.9Å; Q361-W364 PolarHBondContact O-N 3.47Å; W364-I367 PolarHBondContact O-N 3.07Å; W364-I368 HydrophobicContact CB-CD1 4.49Å; W364-I368 HydrophobicContact CE3-CD1 4.48Å; W364-I368 WeakPolarHBondContact O-CB 3.27Å; W364-I368 VanDerWaalsContact O-CD1 3.32Å; W364-I368 WeakPolarHBondContact O-CD1 3.43Å; W364-I368 WeakPolarHBondContact O-CG1 3.45Å; W364-I368 PolarHBondContact O-N 2.64Å
365L98.6Very high97.6Very high29 Ų2966.6 Ų66.615%0.15232%0.319CS..Hα-helixtrans-60.3-47.2177.8-71.3171.1000111.4V326 N328 L342 Q361 E362 I367 I368 Q369V326-L365 HydrophobicContact CB-CD2 4.48Å; V326-L365 HydrophobicContact CG1-CD2 4.25Å; V326-L365 HydrophobicContact CG2-CD2 3.55Å; N328-L365 HydrophobicContact CB-CD1 3.7Å; L342-L365 HydrophobicContact CB-CD2 3.78Å; L342-L365 HydrophobicContact CB-CG 4.28Å; Q361-L365 HydrophobicContact CG-CD1 3.86Å; Q361-L365 HydrophobicContact CG-CG 4.31Å; Q361-L365 WeakPolarHBondContact O-CB 3.28Å; Q361-L365 VanDerWaalsContact O-CG 3.3Å; Q361-L365 WeakPolarHBondContact O-CG 3.46Å; Q361-L365 PolarHBondContact O-N 2.83Å; E362-L365 PolarHBondContact O-N 3.45Å; L365-I367 PolarHBondContact O-N 3.44Å; L365-I368 PolarHBondContact O-N 3.12Å; L365-Q369 WeakPolarHBondContact O-CB 3.37Å; L365-Q369 PolarHBondContact O-N 3.35Å
366E98.3Very high97.2Very high138 Ų13867.7 Ų67.765%0.64533%0.325SS*.Hα-helixtrans-58.3-50.1179.6-173.7-170.5163.100111.4E362 K363 Q369 K370E362-E366 WeakPolarHBondContact O-CB 3.47Å; E362-E366 PolarHBondContact O-N 2.98Å; K363-E366 PolarHBondContact O-N 3.49Å; E366-Q369 PolarHBondContact O-N 3.18Å; E366-K370 VanDerWaalsContact O-CB 3.28Å; E366-K370 WeakPolarHBondContact O-CB 3.4Å; E366-K370 PolarHBondContact O-N 3.41Å
367I97.6Very high96.6Very high44 Ų4467.9 Ų67.923%0.22633%0.329CS..Hα-helixtrans-66-46.1-178.5-69.4176000110.9D272 M273 I295 K363 W364 L365 K370 I371D272-I367 HydrophobicContact CB-CG2 4.46Å; M273-I367 HydrophobicContact CB-CD1 3.81Å; M273-I367 HydrophobicContact CG-CD1 4.16Å; M273-I367 HydrophobicContact SD-CD1 3.75Å; I295-I367 HydrophobicContact CD1-CG2 4.23Å; K363-I367 WeakPolarHBondContact O-CG1 3.41Å; K363-I367 PolarHBondContact O-N 3.5Å; K363-I367 VanDerWaalsContact O-N 3.07Å; W364-I367 PolarHBondContact O-N 3.07Å; L365-I367 PolarHBondContact O-N 3.44Å; I367-K370 WeakPolarHBondContact O-CB 3.23Å; I367-K370 PolarHBondContact O-N 2.87Å; I367-I371 HydrophobicContact CG2-CD1 3.88Å; I367-I371 WeakPolarHBondContact O-CD1 3.38Å; I367-I371 VanDerWaalsContact O-CG1 3.28Å; I367-I371 WeakPolarHBondContact O-CG1 3.49Å; I367-I371 PolarHBondContact O-N 3.23Å
368I98.5Very high95.7Very high0 Ų068.5 Ų68.50%034%0.337CS..Hα-helixtrans-63.3-44.8179-67.1163.4000110.4I295 F300 I317 V326 L342 I344 W364 L365 K370 I371 I372I295-I368 HydrophobicContact CD1-CD1 4.36Å; I295-I368 HydrophobicContact CD1-CG1 3.73Å; F300-I368 HydrophobicContact CE2-CD1 4.49Å; I317-I368 HydrophobicContact CD1-CG1 4.36Å; I317-I368 HydrophobicContact CD1-CG2 4.48Å; V326-I368 HydrophobicContact CB-CG2 3.76Å; V326-I368 HydrophobicContact CG1-CB 4.39Å; V326-I368 HydrophobicContact CG1-CG2 3.96Å; V326-I368 HydrophobicContact CG2-CB 4.43Å; V326-I368 HydrophobicContact CG2-CG2 3.93Å; L342-I368 HydrophobicContact CD1-CD1 3.93Å; I344-I368 HydrophobicContact CD1-CD1 3.75Å; I344-I368 HydrophobicContact CD1-CG1 4.45Å; I344-I368 HydrophobicContact CD1-CG2 4.47Å; I344-I368 HydrophobicContact CG1-CD1 4.02Å; I344-I368 HydrophobicContact CG1-CG2 4.34Å; W364-I368 HydrophobicContact CB-CD1 4.49Å; W364-I368 HydrophobicContact CE3-CD1 4.48Å; W364-I368 WeakPolarHBondContact O-CB 3.27Å; W364-I368 VanDerWaalsContact O-CD1 3.32Å; W364-I368 WeakPolarHBondContact O-CD1 3.43Å; W364-I368 WeakPolarHBondContact O-CG1 3.45Å; W364-I368 PolarHBondContact O-N 2.64Å; L365-I368 PolarHBondContact O-N 3.12Å; I368-K370 VanDerWaalsContact C-N 3.34Å; I368-K370 PolarHBondContact O-N 2.88Å; I368-I371 WeakPolarHBondContact O-CB 3.3Å; I368-I371 PolarHBondContact O-N 3.28Å; I368-I372 HydrophobicContact CG2-CD1 3.66Å; I368-I372 HydrophobicContact CG2-CG1 4.34Å; I368-I372 VanDerWaalsContact O-CG1 3.29Å; I368-I372 WeakPolarHBondContact O-CG1 3.14Å; I368-I372 PolarHBondContact O-N 2.7Å
369Q98.3Very high94.7Very high64 Ų6466.3 Ų66.330%0.29934%0.338SS..Hα-helixtrans-63.3-40.8178.4-171.761.760.900111.5V326 L365 E366 I371 I372 N373V326-Q369 HydrophobicContact CG1-CB 4.08Å; L365-Q369 WeakPolarHBondContact O-CB 3.37Å; L365-Q369 PolarHBondContact O-N 3.35Å; E366-Q369 PolarHBondContact O-N 3.18Å; Q369-I371 VanDerWaalsContact C-N 3.31Å; Q369-I371 PolarHBondContact O-N 3.03Å; Q369-I372 PolarHBondContact O-N 3.38Å; Q369-N373 PolarHBondContact NE2-OD1 2.81Å; Q369-N373 WeakPolarHBondContact O-CB 3.16Å; Q369-N373 PolarHBondContact O-N 3.19Å; Q369-N373 PolarHBondContact O-ND2 3.49Å; Q369-N373 PolarHBondContact O-OD1 2.96Å
370K97.8Very high94.1Very high140 Ų14062.6 Ų62.661%0.60932%0.32SS*.Hα-helixtrans-58.8-42.4174.1-177.2-178.6179.9-1800111.8E366 I367 I368 N373 I374E366-K370 VanDerWaalsContact O-CB 3.28Å; E366-K370 WeakPolarHBondContact O-CB 3.4Å; E366-K370 PolarHBondContact O-N 3.41Å; I367-K370 WeakPolarHBondContact O-CB 3.23Å; I367-K370 PolarHBondContact O-N 2.87Å; I368-K370 VanDerWaalsContact C-N 3.34Å; I368-K370 PolarHBondContact O-N 2.88Å; K370-N373 PolarHBondContact O-N 3.32Å; K370-I374 WeakPolarHBondContact O-CD1 3.5Å; K370-I374 WeakPolarHBondContact O-CG1 3.43Å
371I97.1Very high93.3Very high17 Ų1763.5 Ų63.59%0.08733%0.325CS..Hα-helixtrans-64.8-44.7176.9-68.3159.3000111.3I295 N297 R298 I317 I367 I368 Q369 N373 I374I295-I371 HydrophobicContact CG2-CD1 3.68Å; N297-I371 WeakPolarHBondContact O-CD1 3.35Å; R298-I371 HydrophobicContact CG-CG2 3.79Å; R298-I371 PolarHBondContact NH1-O 3.38Å; I317-I371 HydrophobicContact CB-CG2 4.04Å; I317-I371 HydrophobicContact CD1-CD1 4.5Å; I317-I371 HydrophobicContact CG2-CB 4.46Å; I317-I371 HydrophobicContact CG2-CG2 3.75Å; I367-I371 HydrophobicContact CG2-CD1 3.88Å; I367-I371 WeakPolarHBondContact O-CD1 3.38Å; I367-I371 VanDerWaalsContact O-CG1 3.28Å; I367-I371 WeakPolarHBondContact O-CG1 3.49Å; I367-I371 PolarHBondContact O-N 3.23Å; I368-I371 WeakPolarHBondContact O-CB 3.3Å; I368-I371 PolarHBondContact O-N 3.28Å; Q369-I371 VanDerWaalsContact C-N 3.31Å; Q369-I371 PolarHBondContact O-N 3.03Å; I371-N373 VanDerWaalsContact C-N 3.29Å; I371-N373 PolarHBondContact O-N 2.83Å; I371-I374 PolarHBondContact O-N 2.85Å
372I97.9Very high92.3Very high0 Ų069.7 Ų69.70%035%0.351CS..Hα-helixtrans-65.2-33.1-179.2-70.7172.1000111.7I317 S319 N320 Y324 V326 I368 Q369 I374I317-I372 HydrophobicContact CG2-CD1 4.29Å; I317-I372 HydrophobicContact CG2-CG1 3.62Å; S319-I372 CarbonylContact C-O 3.51Å; S319-I372 WeakPolarHBondContact CA-O 3.24Å; S319-I372 VanDerWaalsContact CB-O 3.31Å; S319-I372 WeakPolarHBondContact CB-O 3.21Å; N320-I372 HydrophobicContact CB-CG2 4.46Å; N320-I372 PolarHBondContact N-O 2.96Å; N320-I372 VanDerWaalsContact N-O 3.07Å; N320-I372 WeakPolarHBondContact OD1-CG2 3.34Å; Y324-I372 WeakPolarHBondContact O-CG2 3.28Å; V326-I372 HydrophobicContact CB-CD1 4.26Å; V326-I372 HydrophobicContact CG1-CD1 4.42Å; I368-I372 HydrophobicContact CG2-CD1 3.66Å; I368-I372 HydrophobicContact CG2-CG1 4.34Å; I368-I372 VanDerWaalsContact O-CG1 3.29Å; I368-I372 WeakPolarHBondContact O-CG1 3.14Å; I368-I372 PolarHBondContact O-N 2.7Å; Q369-I372 PolarHBondContact O-N 3.38Å; I372-I374 PolarHBondContact O-N 2.91Å
373N97.7Very high91.2Very high91 Ų9169.2 Ų69.249%0.48735%0.349SS..Hα-helixtrans-71.7-17.2179.2-72.2-12.5000113.8N320 Q369 K370 I371N320-N373 PolarHBondContact ND2-OD1 3.42Å; N320-N373 VanDerWaalsContact ND2-OD1 3.14Å; Q369-N373 PolarHBondContact NE2-OD1 2.81Å; Q369-N373 WeakPolarHBondContact O-CB 3.16Å; Q369-N373 PolarHBondContact O-N 3.19Å; Q369-N373 PolarHBondContact O-ND2 3.49Å; Q369-N373 PolarHBondContact O-OD1 2.96Å; K370-N373 PolarHBondContact O-N 3.32Å; I371-N373 VanDerWaalsContact C-N 3.29Å; I371-N373 PolarHBondContact O-N 2.83Å
374I94.7Very high90.2Very high87 Ų8764.3 Ų64.345%0.44633%0.331SS..SBendtrans-89.8126.6178.6-60.7164.4000108.2R298 S319 K370 I371 I372R298-I374 PolarHBondContact NH2-O 2.85Å; S319-I374 VanDerWaalsContact CB-O 3.24Å; S319-I374 WeakPolarHBondContact CB-O 3.4Å; K370-I374 WeakPolarHBondContact O-CD1 3.5Å; K370-I374 WeakPolarHBondContact O-CG1 3.43Å; I371-I374 PolarHBondContact O-N 2.85Å; I372-I374 PolarHBondContact O-N 2.91Å
375P93.6Very high88.7Confident78 Ų7866.5 Ų66.551%0.50635%0.35SS..PPolyproline II helixtrans-61150.5173.1-23.334000112.4R298R298-P375 PolarHBondContact NH2-O 2.85Å
376L90.1Very high87.3Confident23 Ų2370.7 Ų70.712%0.1237%0.371CS..PPolyproline II helixtrans-72.2141172.3-70.498.6000111.4F316 E322 E380 H381F316-L376 HydrophobicContact CE1-CD2 3.52Å; F316-L376 HydrophobicContact CE1-CG 4.5Å; F316-L376 HydrophobicContact CZ-CD2 3.99Å; E322-L376 HydrophobicContact CG-CD1 3.91Å; E322-L376 WeakPolarHBondContact OE2-CD1 3.16Å; L376-E380 HydrophobicContact CB-CB 4.22Å; L376-E380 HydrophobicContact CD2-CB 3.97Å; L376-E380 HydrophobicContact CG-CB 4.38Å; L376-H381 VanDerWaalsContact CB-CE1 3.4Å; L376-H381 WeakPolarHBondContact CB-CE1 3.25Å
377T85.1Confident85.8Confident71 Ų7165.3 Ų65.344%0.43635%0.347SS..PPolyproline II helixtrans-76.5162.1163.463.40000111.3A379 E380 H381T377-A379 PolarHBondContact O-N 3.45Å; T377-E380 WeakPolarHBondContact CB-OE2 3.11Å; T377-E380 WeakPolarHBondContact CG2-OE2 3.44Å; T377-E380 PolarHBondContact N-OE2 3.36Å; T377-E380 PolarHBondContact O-N 2.8Å; T377-E380 VanDerWaalsContact O-N 3.11Å; T377-E380 WeakPolarHBondContact OG1-CB 3.49Å; T377-E380 VanDerWaalsContact OG1-CG 3.25Å; T377-E380 WeakPolarHBondContact OG1-CG 3.49Å; T377-E380 PolarHBondContact OG1-N 2.85Å; T377-E380 PolarHBondContact OG1-OE2 2.91Å; T377-H381 PolarHBondContact O-N 2.83Å; T377-H381 VanDerWaalsContact O-N 3.12Å; T377-H381 PolarHBondContact O-ND1 3.5Å
378L78.9Confident83.9Confident135 Ų13567.2 Ų67.271%0.70736%0.361SS*.Hα-helixtrans-57.8-35174.9-175.965.2000112.6K382L378-K382 PolarHBondContact O-N 2.76Å
379A77.1Confident81.5Confident54 Ų5474.3 Ų74.345%0.44639%0.391SS..Hα-helixtrans-67.6-38.3177.300000112T377 K382 Q383T377-A379 PolarHBondContact O-N 3.45Å; A379-K382 PolarHBondContact O-N 2.81Å; A379-Q383 PolarHBondContact O-N 3.39Å; A379-Q383 VanDerWaalsContact O-N 3.16Å
380E84.8Confident79.2Confident36 Ų3674 Ų7417%0.16839%0.389CS..Hα-helixtrans-70-34.3178.3-75.5169.313400112.5R298 F316 L376 T377 K382 Q383 A384R298-E380 VanDerWaalsContact CD-OE1 3.23Å; R298-E380 WeakPolarHBondContact CD-OE1 3.25Å; R298-E380 IonicContact CZ-OE1 2.77Å; R298-E380 IonicContact NE-OE1 2.93Å; R298-E380 PolarHBondContact NE-OE1 3.19Å; R298-E380 IonicContact NE-OE2 3Å; F316-E380 HydrophobicContact CZ-CB 4Å; F316-E380 HydrophobicContact CZ-CG 4.44Å; L376-E380 HydrophobicContact CB-CB 4.22Å; L376-E380 HydrophobicContact CD2-CB 3.97Å; L376-E380 HydrophobicContact CG-CB 4.38Å; T377-E380 WeakPolarHBondContact CB-OE2 3.11Å; T377-E380 WeakPolarHBondContact CG2-OE2 3.44Å; T377-E380 PolarHBondContact N-OE2 3.36Å; T377-E380 PolarHBondContact O-N 2.8Å; T377-E380 VanDerWaalsContact O-N 3.11Å; T377-E380 WeakPolarHBondContact OG1-CB 3.49Å; T377-E380 VanDerWaalsContact OG1-CG 3.25Å; T377-E380 WeakPolarHBondContact OG1-CG 3.49Å; T377-E380 PolarHBondContact OG1-N 2.85Å; T377-E380 PolarHBondContact OG1-OE2 2.91Å; E380-K382 VanDerWaalsContact C-N 3.27Å; E380-K382 PolarHBondContact O-N 2.86Å; E380-Q383 PolarHBondContact O-N 2.92Å; E380-Q383 VanDerWaalsContact O-N 3.11Å; E380-A384 PolarHBondContact O-N 3.17Å
381H80.4Confident76.7Confident89 Ų8972.8 Ų72.841%0.41238%0.381SS..Hα-helixtrans-56.8-41.6170.7-7486.3000111.8L376 T377L376-H381 VanDerWaalsContact CB-CE1 3.4Å; L376-H381 WeakPolarHBondContact CB-CE1 3.25Å; T377-H381 PolarHBondContact O-N 2.83Å; T377-H381 VanDerWaalsContact O-N 3.12Å; T377-H381 PolarHBondContact O-ND1 3.5Å
382K76.6Confident73.9Confident144 Ų14475.8 Ų75.863%0.62640%0.4SS*.Hα-helixtrans-66.8-37.4175.9-65.7-178.6179.6-178.30112.3L378 A379 E380L378-K382 PolarHBondContact O-N 2.76Å; A379-K382 PolarHBondContact O-N 2.81Å; E380-K382 VanDerWaalsContact C-N 3.27Å; E380-K382 PolarHBondContact O-N 2.86Å
383Q75.9Confident70.9Confident87 Ų8780.8 Ų80.841%0.40743%0.427SS..Hα-helixtrans-68.7-40.8177.8-72.5-178.8-1.700112.3F316 A379 E380 A385 M386F316-Q383 HydrophobicContact CE2-CB 3.99Å; A379-Q383 PolarHBondContact O-N 3.39Å; A379-Q383 VanDerWaalsContact O-N 3.16Å; E380-Q383 PolarHBondContact O-N 2.92Å; E380-Q383 VanDerWaalsContact O-N 3.11Å; Q383-A385 PolarHBondContact O-N 2.65Å; Q383-M386 WeakPolarHBondContact O-CB 3.44Å; Q383-M386 PolarHBondContact O-N 3.44Å
384A77.1Confident68.1Low20 Ų2080.9 Ų80.917%0.16544%0.441CS..Hα-helixtrans-55.3-41.7178.400000111.9F316 E380 M386 V387 T388F316-A384 HydrophobicContact CB-CB 4.39Å; F316-A384 HydrophobicContact CD1-CB 3.61Å; F316-A384 HydrophobicContact CD2-CB 4.17Å; F316-A384 HydrophobicContact CE1-CB 3.88Å; F316-A384 HydrophobicContact CE2-CB 4.38Å; F316-A384 HydrophobicContact CG-CB 3.78Å; F316-A384 HydrophobicContact CZ-CB 4.24Å; E380-A384 PolarHBondContact O-N 3.17Å; A384-M386 PolarHBondContact O-N 2.71Å; A384-V387 PolarHBondContact O-N 2.88Å; A384-T388 PolarHBondContact O-N 2.84Å; A384-T388 VanDerWaalsContact O-N 3.17Å; A384-T388 PolarHBondContact O-OG1 2.96Å; A384-T388 VanDerWaalsContact O-OG1 3.08Å
385A67.7Low65.6Low50 Ų5082.8 Ų82.841%0.41345%0.451SS..Hα-helixtrans-60.8-29.2178.500000113.8Q383 K389Q383-A385 PolarHBondContact O-N 2.65Å; A385-K389 WeakPolarHBondContact O-CG 3.37Å; A385-K389 PolarHBondContact O-N 2.88Å
386M68.5Low62.9Low117 Ų11784.1 Ų84.158%0.57645%0.454SS*.Hα-helixtrans-73.1-36.8179-63.5-172.6179.900112.3Q383 A384Q383-M386 WeakPolarHBondContact O-CB 3.44Å; Q383-M386 PolarHBondContact O-N 3.44Å; A384-M386 PolarHBondContact O-N 2.71Å
387V67Low60.6Low25 Ų2590.4 Ų90.415%0.15248%0.48CS..Hα-helixtrans-74.3-33.4178-175.10000110.7E314 F316 A384 K390E314-V387 HydrophobicContact CB-CG1 4.36Å; E314-V387 HydrophobicContact CG-CG1 4.22Å; F316-V387 HydrophobicContact CB-CB 4.18Å; F316-V387 HydrophobicContact CB-CG1 4.44Å; F316-V387 HydrophobicContact CB-CG2 4.26Å; A384-V387 PolarHBondContact O-N 2.88Å; V387-K390 WeakPolarHBondContact O-CB 3.18Å
388T56.8Low58.4Low84 Ų8493.1 Ų93.152%0.51549%0.491SS..Hα-helixtrans-74.9-37.6-179.9-49.50000112.8A384 K390 R391A384-T388 PolarHBondContact O-N 2.84Å; A384-T388 VanDerWaalsContact O-N 3.17Å; A384-T388 PolarHBondContact O-OG1 2.96Å; A384-T388 VanDerWaalsContact O-OG1 3.08Å; T388-K390 PolarHBondContact O-N 3.01Å; T388-K390 VanDerWaalsContact O-N 3.09Å; T388-R391 PolarHBondContact O-N 2.97Å
389K48.8Very low56.6Low148 Ų14894.8 Ų94.864%0.64349%0.493SS*.Hα-helixtrans-58.7-22.3179.3-84.3-177.1177.9-174.40114.1A385 R391 T392A385-K389 WeakPolarHBondContact O-CG 3.37Å; A385-K389 PolarHBondContact O-N 2.88Å; K389-R391 PolarHBondContact O-N 3.38Å; K389-R391 VanDerWaalsContact O-N 3.09Å; K389-T392 PolarHBondContact O-N 3.32Å
390K49.3Very low54.6Low58 Ų5898 Ų9825%0.25251%0.507SS..THydrogen-bonded Turntrans-50.5-28.5167.7-103.4-168.4174.6-171.40113.9C217 S218 E314 V387 T388C217-K390 HydrophobicContact CB-CG 4.36Å; C217-K390 WeakPolarHBondContact O-CD 3.37Å; C217-K390 WeakPolarHBondContact O-CE 3.3Å; C217-K390 WeakPolarHBondContact O-CG 3.31Å; S218-K390 VanDerWaalsContact CA-NZ 3.32Å; S218-K390 PolarHBondContact OG-NZ 3.3Å; E314-K390 VanDerWaalsContact CD-CE 3.49Å; E314-K390 HydrophobicContact CG-CD 3.98Å; E314-K390 IonicContact OE1-NZ 2.83Å; E314-K390 PolarHBondContact OE1-NZ 2.7Å; E314-K390 VanDerWaalsContact OE2-CD 3.28Å; E314-K390 WeakPolarHBondContact OE2-CD 3.47Å; E314-K390 WeakPolarHBondContact OE2-CE 3.32Å; E314-K390 IonicContact OE2-NZ 2.74Å; E314-K390 PolarHBondContact OE2-NZ 3.36Å; V387-K390 WeakPolarHBondContact O-CB 3.18Å; T388-K390 PolarHBondContact O-N 3.01Å; T388-K390 VanDerWaalsContact O-N 3.09Å
391R46.2Very low52.4Low114 Ų114104 Ų10443%0.4355%0.553SS.*THydrogen-bonded Turntrans-88.7-21.3-174.6-71-174.8171.8175.4-1.8113.9T388 K389T388-R391 PolarHBondContact O-N 2.97Å; K389-R391 PolarHBondContact O-N 3.38Å; K389-R391 VanDerWaalsContact O-N 3.09Å
392T38.4Very low51Low80 Ų80104.7 Ų104.749%0.49156%0.56SS.*THydrogen-bonded Turntrans-102.8-8.6-172.445.60000115.5K389K389-T392 PolarHBondContact O-N 3.32Å
393N35.2Very low49.6Very low105 Ų105102.6 Ų102.656%0.56156%0.557SS**SBendtrans-130.8116.1174.4-75-25.5000108.5F397N393-F397 WeakPolarHBondContact OD1-CD2 3.4Å; N393-F397 WeakPolarHBondContact OD1-CE2 3.38Å
394A38.6Very low48.2Very low94 Ų94103.5 Ų103.578%0.77757%0.565SS**SBend-154.616.475.400000115.6
395L41.7Very low46.5Very low126 Ų126108.4 Ų108.466%0.6659%0.588SS**SBendtrans-139.8-10.9177-80.3169.7000115.7L398L395-L398 HydrophobicContact CD2-CD1 4.46Å; L395-L398 PolarHBondContact O-N 3.25Å
396D37Very low45.2Very low107 Ų107112.1 Ų112.157%0.57260%0.599SS**G310 helixtrans-77.1-24.6-178.4-75.4-18000113.1L398 K399D396-L398 PolarHBondContact O-N 3.01Å; D396-K399 PolarHBondContact O-N 3.34Å
397F40.7Very low43.6Very low154 Ų154111.7 Ų111.768%0.67560%0.601SS**G310 helixtrans-70.6-13.1171.6-76.2-77.7000114N393N393-F397 WeakPolarHBondContact OD1-CD2 3.4Å; N393-F397 WeakPolarHBondContact OD1-CE2 3.38Å
398L39.9Very low41.9Very low128 Ų128117.9 Ų117.967%0.6763%0.633SS**G310 helixtrans-98.96.7175.9-72170.6000113.3L395 D396L395-L398 HydrophobicContact CD2-CD1 4.46Å; L395-L398 PolarHBondContact O-N 3.25Å; D396-L398 PolarHBondContact O-N 3.01Å
399K40.8Very low40.8Very low170 Ų170120.5 Ų120.574%0.73964%0.642SS**SBendtrans-107.49.3174-72.9-171.3176.3-177.80114D396D396-K399 PolarHBondContact O-N 3.34Å
400T35.4Very low40.1Very low122 Ų122118.3 Ų118.375%0.74864%0.642SS**  trans-12658.4172.8500000110.1
401S38.3Very low39.3Very low161 Ų161123.7 Ų123.7100%1.12668%0.677SS**  trans-151.40161.261.10000106.5

Retrieved 401 of 401 residues in 86.4 ms (Link to these results)

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