A0A3B3TL26_9TELE Loading...

Interferon regulatory factor 8

AlphaFold DB , UniProt , Accession A0A3B3TL26, Species 9TELE (Poecilia latipinna, sailfin molly), Gene n/a, Length 422 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
1M34.1Very low59.1Low247 Ų247107.1 Ų107.1100%1.21760%0.603SS**  098.40-62.1170.791.100107.2
2S33.6Very low62.1Low104 Ų10498.9 Ų98.973%0.72756%0.556SS**  trans-95.1121.9-178.943.50000110.2S4S2-S4 PolarHBondContact O-N 3.23Å; S2-S4 PolarHBondContact O-OG 3.12Å
3N34Very low64.6Low168 Ų16891.4 Ų91.490%0.89851%0.513SS*.  trans-60.5111.5-178.2-151.32.3000110.1G5N3-G5 VanDerWaalsContact C-N 3.32Å; N3-G5 PolarHBondContact O-N 2.9Å
4S43.2Very low66.6Low58 Ų5889.4 Ų89.441%0.40650%0.499SS..  trans-92.916.3-172.2-17.50000113.4S2 G6S2-S4 PolarHBondContact O-N 3.23Å; S2-S4 PolarHBondContact O-OG 3.12Å; S4-G6 PolarHBondContact O-N 3.43Å
5G40.3Very low68.4Low78 Ų7887.9 Ų87.980%0.80449%0.487SS*.THydrogen-bonded Turntrans-68.687-178.500000111.8N3N3-G5 VanDerWaalsContact C-N 3.32Å; N3-G5 PolarHBondContact O-N 2.9Å
6G48.9Very low70.1Confident72 Ų7284.2 Ų84.274%0.74247%0.465SS*.THydrogen-bonded Turntrans144.4-6.616900000116.4S4 R8S4-G6 PolarHBondContact O-N 3.43Å; G6-R8 PolarHBondContact O-N 3.5Å
7R59.9Low71.5Confident116 Ų11679.7 Ų79.744%0.43844%0.44SS..  trans-69.5126.5179.6-80.4-174.3-168.3-171.74.9111.1E15 F62R7-E15 IonicContact NH1-OE1 3.9Å; R7-E15 IonicContact NH1-OE2 3.64Å; R7-E15 PolarHBondContact NH1-OE2 2.91Å; R7-F62 HydrophobicContact CB-CE1 4.41Å; R7-F62 HydrophobicContact CB-CE2 4.1Å; R7-F62 HydrophobicContact CB-CZ 3.43Å; R7-F62 VanDerWaalsContact CB-CZ 3.43Å; R7-F62 HydrophobicContact CG-CZ 4.44Å
8R82.9Confident72.7Confident175 Ų17582.8 Ų82.866%0.6645%0.451SS*.  trans-66.6147.8178.7-67178.6113.7-1710.6110.7G6 K10 Q11 W12G6-R8 PolarHBondContact O-N 3.5Å; R8-K10 VanDerWaalsContact C-N 3.26Å; R8-K10 PolarHBondContact O-N 3.01Å; R8-Q11 PolarHBondContact O-N 3.26Å; R8-W12 PolarHBondContact O-N 3.21Å
9L91.2Very high73.7Confident19 Ų1980.8 Ų80.810%0.09944%0.443CS..Hα-helixtrans-51.9-43.1-179.417466000112.1W12 L13 W59 L81 A84 L85 F91L9-W12 HydrophobicContact CD1-CE3 4.45Å; L9-W12 PolarHBondContact O-N 3.43Å; L9-L13 WeakPolarHBondContact O-CB 3.42Å; L9-L13 PolarHBondContact O-N 2.82Å; L9-W59 HydrophobicContact CB-CH2 3.9Å; L9-W59 HydrophobicContact CB-CZ3 4.47Å; L9-W59 HydrophobicContact CD1-CD2 4.28Å; L9-W59 HydrophobicContact CD1-CE3 3.96Å; L9-W59 HydrophobicContact CD1-CH2 3.35Å; L9-W59 HydrophobicContact CD1-CZ2 3.71Å; L9-W59 HydrophobicContact CD1-CZ3 3.48Å; L9-W59 VanDerWaalsContact CD1-CZ3 3.48Å; L9-W59 HydrophobicContact CG-CH2 4.17Å; L9-L81 HydrophobicContact CD1-CD1 3.79Å; L9-A84 VanDerWaalsContact CD2-C 3.45Å; L9-A84 HydrophobicContact CD2-CB 3.77Å; L9-A84 WeakPolarHBondContact CD2-O 3.44Å; L9-L85 HydrophobicContact CD2-CD2 4.14Å; L9-L85 HydrophobicContact CD2-CG 4.4Å; L9-F91 HydrophobicContact CB-CE2 4.42Å; L9-F91 HydrophobicContact CD2-CD2 4.15Å; L9-F91 HydrophobicContact CD2-CE2 3.7Å; L9-F91 HydrophobicContact CG-CE2 3.72Å; L9-F91 HydrophobicContact CG-CZ 4.38Å
10K91.4Very high74.6Confident49 Ų4980.8 Ų80.821%0.21345%0.454CS..Hα-helixtrans-52.9-55.9177-179.9173.6176.6169.70113.1R8 W12 L13 M14 D90 F91 I111R8-K10 VanDerWaalsContact C-N 3.26Å; R8-K10 PolarHBondContact O-N 3.01Å; K10-W12 PolarHBondContact O-N 2.86Å; K10-L13 PolarHBondContact O-N 3.29Å; K10-M14 HydrophobicContact CG-CE 3.95Å; K10-M14 HydrophobicContact CG-SD 4.4Å; K10-M14 WeakPolarHBondContact O-CG 3.35Å; K10-M14 PolarHBondContact O-N 2.9Å; K10-M14 VanDerWaalsContact O-N 3.1Å; K10-D90 HydrophobicContact CB-CB 4.07Å; K10-D90 HydrophobicContact CD-CB 3.84Å; K10-D90 VanDerWaalsContact CD-CG 3.47Å; K10-D90 VanDerWaalsContact CD-OD1 3.27Å; K10-D90 WeakPolarHBondContact CD-OD1 3.26Å; K10-D90 HydrophobicContact CG-CB 4.36Å; K10-D90 IonicContact NZ-OD1 3.63Å; K10-F91 HydrophobicContact CB-CE2 4.35Å; K10-F91 HydrophobicContact CB-CZ 4.1Å; K10-I111 HydrophobicContact CD-CG2 4.35Å
11Q90.6Very high75.4Confident92 Ų9283.9 Ų83.943%0.4347%0.465SS..Hα-helixtrans-61.7-47.2-178.7-176.8178.20.200111.7R8 L13 M14 E15R8-Q11 PolarHBondContact O-N 3.26Å; Q11-L13 VanDerWaalsContact C-N 3.33Å; Q11-L13 PolarHBondContact O-N 3.41Å; Q11-M14 PolarHBondContact O-N 3.49Å; Q11-E15 PolarHBondContact NE2-OE1 3.09Å; Q11-E15 WeakPolarHBondContact O-CG 3.45Å; Q11-E15 PolarHBondContact O-N 3.19Å; Q11-E15 VanDerWaalsContact O-N 3.11Å
12W94.8Very high78.2Confident9 Ų973.7 Ų73.73%0.03441%0.413CS..Hα-helixtrans-59.3-45.2-179.7177.477.1000112.1R8 L9 K10 E15 Q16 I55 A58 W59 F62R8-W12 PolarHBondContact O-N 3.21Å; L9-W12 HydrophobicContact CD1-CE3 4.45Å; L9-W12 PolarHBondContact O-N 3.43Å; K10-W12 PolarHBondContact O-N 2.86Å; W12-E15 WeakPolarHBondContact O-CB 3.4Å; W12-E15 PolarHBondContact O-N 3.45Å; W12-Q16 HydrophobicContact CD2-CG 3.89Å; W12-Q16 HydrophobicContact CE3-CG 4.1Å; W12-Q16 HydrophobicContact CH2-CG 3.77Å; W12-Q16 HydrophobicContact CZ2-CG 3.52Å; W12-Q16 HydrophobicContact CZ3-CG 4.04Å; W12-Q16 WeakPolarHBondContact O-CG 3.38Å; W12-Q16 PolarHBondContact O-N 3.37Å; W12-Q16 PolarHBondContact O-NE2 3.34Å; W12-I55 HydrophobicContact CH2-CD1 3.69Å; W12-I55 HydrophobicContact CZ3-CD1 4.19Å; W12-A58 HydrophobicContact CH2-CB 4.31Å; W12-A58 HydrophobicContact CZ2-CB 3.94Å; W12-W59 HydrophobicContact CB-CZ3 4.46Å; W12-W59 AromaticContact CD2-CE3 3.69Å; W12-W59 HydrophobicContact CD2-CE3 3.69Å; W12-W59 AromaticContact CD2-CZ3 3.92Å; W12-W59 HydrophobicContact CD2-CZ3 3.92Å; W12-W59 HydrophobicContact CE3-CD2 4.42Å; W12-W59 AromaticContact CE3-CE3 3.37Å; W12-W59 HydrophobicContact CE3-CE3 3.37Å; W12-W59 AromaticContact CE3-CZ3 3.73Å; W12-W59 HydrophobicContact CE3-CZ3 3.73Å; W12-W59 HydrophobicContact CG-CE3 4.44Å; W12-W59 HydrophobicContact CG-CZ3 4.26Å; W12-W59 HydrophobicContact CH2-CB 3.6Å; W12-W59 AromaticContact CH2-CE3 3.97Å; W12-W59 HydrophobicContact CH2-CE3 3.97Å; W12-W59 HydrophobicContact CH2-CG 4.45Å; W12-W59 HydrophobicContact CZ2-CB 4.26Å; W12-W59 HydrophobicContact CZ2-CE3 4.25Å; W12-W59 HydrophobicContact CZ3-CB 4.01Å; W12-W59 HydrophobicContact CZ3-CD2 4.2Å; W12-W59 AromaticContact CZ3-CE3 3.52Å; W12-W59 HydrophobicContact CZ3-CE3 3.52Å; W12-W59 HydrophobicContact CZ3-CG 4.44Å; W12-W59 HydrophobicContact CZ3-CZ3 4.32Å; W12-F62 HydrophobicContact CB-CD1 4.48Å; W12-F62 HydrophobicContact CB-CE1 3.8Å; W12-F62 HydrophobicContact CB-CE2 4.28Å; W12-F62 HydrophobicContact CB-CZ 3.62Å; W12-F62 AromaticContact CD1-CD1 3.77Å; W12-F62 AromaticContact CD1-CD2 3.2Å; W12-F62 AromaticContact CD1-CE1 3.73Å; W12-F62 AromaticContact CD1-CE2 3.15Å; W12-F62 AromaticContact CD1-CG 3.46Å; W12-F62 VanDerWaalsContact CD1-CG 3.46Å; W12-F62 AromaticContact CD1-CZ 3.36Å; W12-F62 HydrophobicContact CD2-CD1 4.18Å; W12-F62 HydrophobicContact CD2-CE1 4.37Å; W12-F62 HydrophobicContact CD2-CG 4.31Å; W12-F62 AromaticContact CE2-CG 3.91Å; W12-F62 AromaticContact CG-CD1 3.86Å; W12-F62 HydrophobicContact CG-CD1 3.86Å; W12-F62 HydrophobicContact CG-CD2 4.08Å; W12-F62 AromaticContact CG-CE1 3.65Å; W12-F62 HydrophobicContact CG-CE1 3.65Å; W12-F62 AromaticContact CG-CE2 3.88Å; W12-F62 HydrophobicContact CG-CE2 3.88Å; W12-F62 HydrophobicContact CG-CG 4.02Å; W12-F62 AromaticContact CG-CZ 3.59Å; W12-F62 HydrophobicContact CG-CZ 3.59Å; W12-F62 HydrophobicContact CZ2-CB 4.28Å; W12-F62 AromaticContact NE1-CD1 3.93Å; W12-F62 AromaticContact NE1-CD2 3.32Å; W12-F62 VanDerWaalsContact NE1-CD2 3.32Å; W12-F62 AromaticContact NE1-CE2 3.81Å; W12-F62 AromaticContact NE1-CG 3.33Å; W12-F62 VanDerWaalsContact NE1-CG 3.33Å
13L95.2Very high80.9Confident1 Ų173 Ų731%0.00541%0.409CS..Hα-helixtrans-68.3-38.9-176.9-165.165.8000111.8L9 K10 Q11 E15 Q16 I17 F35 L85 F91L9-L13 WeakPolarHBondContact O-CB 3.42Å; L9-L13 PolarHBondContact O-N 2.82Å; K10-L13 PolarHBondContact O-N 3.29Å; Q11-L13 VanDerWaalsContact C-N 3.33Å; Q11-L13 PolarHBondContact O-N 3.41Å; L13-E15 VanDerWaalsContact C-N 3.35Å; L13-E15 PolarHBondContact O-N 3.48Å; L13-Q16 PolarHBondContact O-N 3.41Å; L13-Q16 VanDerWaalsContact O-N 3.16Å; L13-I17 HydrophobicContact CG-CD1 4.31Å; L13-I17 WeakPolarHBondContact O-CD1 3.45Å; L13-I17 VanDerWaalsContact O-CG1 3.26Å; L13-I17 WeakPolarHBondContact O-CG1 3.47Å; L13-I17 PolarHBondContact O-N 3.47Å; L13-F35 HydrophobicContact CD2-CE1 4.33Å; L13-F35 HydrophobicContact CD2-CE2 3.45Å; L13-F35 VanDerWaalsContact CD2-CE2 3.45Å; L13-F35 HydrophobicContact CD2-CZ 3.34Å; L13-F35 HydrophobicContact CG-CE2 4.19Å; L13-F35 HydrophobicContact CG-CZ 4.35Å; L13-L85 HydrophobicContact CD2-CD2 3.86Å; L13-F91 HydrophobicContact CB-CZ 4.43Å; L13-F91 HydrophobicContact CD2-CE1 3.97Å; L13-F91 HydrophobicContact CD2-CZ 3.75Å
14M92.4Very high83.6Confident64 Ų6466.3 Ų66.332%0.31538%0.38SS..Hα-helixtrans-60.4-43.2173.5-70.5-173.2-58.500112.1K10 Q11 Q16 I17 Q18 W27 I111K10-M14 HydrophobicContact CG-CE 3.95Å; K10-M14 HydrophobicContact CG-SD 4.4Å; K10-M14 WeakPolarHBondContact O-CG 3.35Å; K10-M14 PolarHBondContact O-N 2.9Å; K10-M14 VanDerWaalsContact O-N 3.1Å; Q11-M14 PolarHBondContact O-N 3.49Å; M14-Q16 VanDerWaalsContact C-N 3.31Å; M14-Q16 PolarHBondContact O-N 3.01Å; M14-I17 PolarHBondContact O-N 3.25Å; M14-Q18 WeakPolarHBondContact O-CB 3.44Å; M14-Q18 PolarHBondContact O-N 3.47Å; M14-W27 HydrophobicContact CG-CH2 4.07Å; M14-W27 HydrophobicContact CG-CZ2 4.35Å; M14-I111 HydrophobicContact CG-CD1 4.18Å; M14-I111 HydrophobicContact SD-CD1 4.11Å
15E93.1Very high86.2Confident67 Ų6764 Ų6431%0.31336%0.362SS..Hα-helixtrans-60.4-41.4174.1-70.4171.1-172.700111.1R7 Q11 W12 L13 Q18 S19R7-E15 IonicContact NH1-OE1 3.9Å; R7-E15 IonicContact NH1-OE2 3.64Å; R7-E15 PolarHBondContact NH1-OE2 2.91Å; Q11-E15 PolarHBondContact NE2-OE1 3.09Å; Q11-E15 WeakPolarHBondContact O-CG 3.45Å; Q11-E15 PolarHBondContact O-N 3.19Å; Q11-E15 VanDerWaalsContact O-N 3.11Å; W12-E15 WeakPolarHBondContact O-CB 3.4Å; W12-E15 PolarHBondContact O-N 3.45Å; L13-E15 VanDerWaalsContact C-N 3.35Å; L13-E15 PolarHBondContact O-N 3.48Å; E15-Q18 PolarHBondContact O-N 3.1Å; E15-S19 WeakPolarHBondContact O-CB 3.42Å; E15-S19 PolarHBondContact O-N 3.22Å
16Q95.5Very high88.8Confident28 Ų2864.2 Ų64.213%0.13134%0.342CS..Hα-helixtrans-66.5-40.8178.2-62.5-32.7-80.700112.2W12 L13 M14 S19 Y22 L25 I55W12-Q16 HydrophobicContact CD2-CG 3.89Å; W12-Q16 HydrophobicContact CE3-CG 4.1Å; W12-Q16 HydrophobicContact CH2-CG 3.77Å; W12-Q16 HydrophobicContact CZ2-CG 3.52Å; W12-Q16 HydrophobicContact CZ3-CG 4.04Å; W12-Q16 WeakPolarHBondContact O-CG 3.38Å; W12-Q16 PolarHBondContact O-N 3.37Å; W12-Q16 PolarHBondContact O-NE2 3.34Å; L13-Q16 PolarHBondContact O-N 3.41Å; L13-Q16 VanDerWaalsContact O-N 3.16Å; M14-Q16 VanDerWaalsContact C-N 3.31Å; M14-Q16 PolarHBondContact O-N 3.01Å; Q16-S19 PolarHBondContact O-N 3.05Å; Q16-S19 PolarHBondContact O-OG 3.4Å; Q16-Y22 HydrophobicContact CB-CD2 4.19Å; Q16-Y22 HydrophobicContact CB-CE2 3.81Å; Q16-Y22 HydrophobicContact CG-CE2 4.03Å; Q16-Y22 VanDerWaalsContact OE1-CE2 3.25Å; Q16-Y22 PolarHBondContact OE1-OH 3.06Å; Q16-L25 HydrophobicContact CB-CD2 3.95Å; Q16-I55 HydrophobicContact CB-CD1 3.93Å; Q16-I55 HydrophobicContact CG-CD1 4Å
17I94.5Very high91.1Very high8 Ų863.3 Ų63.34%0.04132%0.317CS..Hα-helixtrans-63.1-45.2175.6-62.2157.2000110L13 M14 S19 A20 L25 W27 F35L13-I17 HydrophobicContact CG-CD1 4.31Å; L13-I17 WeakPolarHBondContact O-CD1 3.45Å; L13-I17 VanDerWaalsContact O-CG1 3.26Å; L13-I17 WeakPolarHBondContact O-CG1 3.47Å; L13-I17 PolarHBondContact O-N 3.47Å; M14-I17 PolarHBondContact O-N 3.25Å; I17-S19 VanDerWaalsContact C-N 3.29Å; I17-S19 PolarHBondContact O-N 2.92Å; I17-A20 PolarHBondContact O-N 3.42Å; I17-L25 HydrophobicContact CB-CG 4.43Å; I17-L25 HydrophobicContact CG1-CD1 3.73Å; I17-L25 HydrophobicContact CG1-CD2 4.04Å; I17-L25 HydrophobicContact CG1-CG 3.73Å; I17-W27 HydrophobicContact CB-CZ2 4.44Å; I17-W27 HydrophobicContact CD1-CH2 4.21Å; I17-W27 HydrophobicContact CD1-CZ2 4.22Å; I17-W27 HydrophobicContact CG2-CD2 3.95Å; I17-W27 HydrophobicContact CG2-CG 3.95Å; I17-W27 HydrophobicContact CG2-CZ2 4.23Å; I17-F35 HydrophobicContact CD1-CB 3.65Å; I17-F35 HydrophobicContact CD1-CD1 3.96Å; I17-F35 HydrophobicContact CD1-CD2 3.63Å; I17-F35 HydrophobicContact CD1-CE2 4.27Å; I17-F35 HydrophobicContact CD1-CG 3.45Å; I17-F35 VanDerWaalsContact CD1-CG 3.45Å; I17-F35 HydrophobicContact CG1-CB 4.47Å; I17-F35 HydrophobicContact CG1-CD2 4.42Å
18Q92.1Very high92.6Very high136 Ų13660.9 Ų60.964%0.63631%0.31SS*.Hα-helixtrans-68.9-27.1-179.6-172.7163.21.200113.1M14 E15 A20M14-Q18 WeakPolarHBondContact O-CB 3.44Å; M14-Q18 PolarHBondContact O-N 3.47Å; E15-Q18 PolarHBondContact O-N 3.1Å; Q18-A20 PolarHBondContact O-N 3.24Å
19S93Very high92.9Very high44 Ų4453.7 Ų53.731%0.30829%0.285SS..Hα-helixtrans-65.1-22.9175.979.10000113.5E15 Q16 I17 Q21E15-S19 WeakPolarHBondContact O-CB 3.42Å; E15-S19 PolarHBondContact O-N 3.22Å; Q16-S19 PolarHBondContact O-N 3.05Å; Q16-S19 PolarHBondContact O-OG 3.4Å; I17-S19 VanDerWaalsContact C-N 3.29Å; I17-S19 PolarHBondContact O-N 2.92Å; S19-Q21 PolarHBondContact O-N 3.07Å; S19-Q21 PolarHBondContact OG-N 3.06Å
20A91.5Very high92.8Very high81 Ų8162.3 Ų62.367%0.66933%0.325SS*.THydrogen-bonded Turntrans52.422.3-173.900000114.6I17 Q18I17-A20 PolarHBondContact O-N 3.42Å; Q18-A20 PolarHBondContact O-N 3.24Å
21Q91.1Very high92.7Very high146 Ų14664.2 Ų64.268%0.68234%0.344SS*.  trans-79.6-21.2-177.3-69.8-178.5-8.600113.6S19S19-Q21 PolarHBondContact O-N 3.07Å; S19-Q21 PolarHBondContact OG-N 3.06Å
22Y93.7Very high92.7Very high32 Ų3266.1 Ų66.113%0.12535%0.348CS..SBendtrans-108.2114.9-173.5-50.8-83000110Q16 G24 L25 I55 A58Q16-Y22 HydrophobicContact CB-CD2 4.19Å; Q16-Y22 HydrophobicContact CB-CE2 3.81Å; Q16-Y22 HydrophobicContact CG-CE2 4.03Å; Q16-Y22 VanDerWaalsContact OE1-CE2 3.25Å; Q16-Y22 PolarHBondContact OE1-OH 3.06Å; Y22-G24 PolarHBondContact O-N 3.36Å; Y22-L25 HydrophobicContact CD2-CD2 3.77Å; Y22-L25 HydrophobicContact CG-CD2 4.24Å; Y22-L25 WeakPolarHBondContact O-CB 3.37Å; Y22-L25 PolarHBondContact O-N 3.27Å; Y22-L25 VanDerWaalsContact O-N 3.08Å; Y22-I55 HydrophobicContact CD1-CB 4.02Å; Y22-I55 HydrophobicContact CD1-CD1 4.32Å; Y22-I55 HydrophobicContact CD2-CD1 3.87Å; Y22-I55 HydrophobicContact CE1-CD1 4.33Å; Y22-I55 HydrophobicContact CE2-CD1 3.91Å; Y22-I55 HydrophobicContact CG-CB 4.15Å; Y22-I55 HydrophobicContact CG-CD1 4.08Å; Y22-A58 HydrophobicContact CE1-CB 3.82Å; Y22-A58 WeakPolarHBondContact OH-CB 3.49Å
23S89.9Confident92.6Very high90 Ų9068.4 Ų68.463%0.62936%0.363SS*.THydrogen-bonded Turntrans-55.4125.9-178.9-173.70000111.2L25 P38S23-L25 VanDerWaalsContact C-N 3.31Å; S23-L25 PolarHBondContact O-N 3.34Å; S23-P38 WeakPolarHBondContact O-CG 3.2Å
24G90.9Very high92.6Very high28 Ų2869.7 Ų69.729%0.28937%0.369SS..THydrogen-bonded Turntrans81.6-6.817900000115.9Y22 R36Y22-G24 PolarHBondContact O-N 3.36Å; G24-R36 WeakPolarHBondContact O-CG 3.44Å; G24-R36 PolarHBondContact O-NE 3.41Å
25L96.3Very high92.8Very high8 Ų866.7 Ų66.74%0.04235%0.354CS..  trans-83.1109.4168.5179.970.6000109.5Q16 I17 Y22 S23 R36 I37 I55Q16-L25 HydrophobicContact CB-CD2 3.95Å; I17-L25 HydrophobicContact CB-CG 4.43Å; I17-L25 HydrophobicContact CG1-CD1 3.73Å; I17-L25 HydrophobicContact CG1-CD2 4.04Å; I17-L25 HydrophobicContact CG1-CG 3.73Å; Y22-L25 HydrophobicContact CD2-CD2 3.77Å; Y22-L25 HydrophobicContact CG-CD2 4.24Å; Y22-L25 WeakPolarHBondContact O-CB 3.37Å; Y22-L25 PolarHBondContact O-N 3.27Å; Y22-L25 VanDerWaalsContact O-N 3.08Å; S23-L25 VanDerWaalsContact C-N 3.31Å; S23-L25 PolarHBondContact O-N 3.34Å; L25-R36 WeakPolarHBondContact CA-O 3.33Å; L25-R36 WeakPolarHBondContact CD1-O 3.47Å; L25-I37 HydrophobicContact CD1-CB 4.5Å; L25-I37 HydrophobicContact CD1-CG1 4.04Å; L25-I55 HydrophobicContact CD2-CD1 3.74Å; L25-I55 HydrophobicContact CD2-CG1 4.12Å
26Q96.1Very high93Very high83 Ų8366.1 Ų66.139%0.38835%0.349SS..EExtended strand (participates in β ladder)trans-158.3164.4-176.261.1179.365.400112.5F35 R36Q26-F35 CarbonylContact O-C 3.45Å; Q26-F35 VanDerWaalsContact O-CA 3.26Å; Q26-F35 WeakPolarHBondContact O-CA 3.44Å; Q26-F35 WeakPolarHBondContact O-CB 3.48Å; Q26-R36 VanDerWaalsContact CD-NE 3.35Å; Q26-R36 HydrophobicContact CG-CG 3.75Å; Q26-R36 VanDerWaalsContact CG-NE 3.27Å; Q26-R36 PolarHBondContact N-O 3.1Å; Q26-R36 VanDerWaalsContact NE2-CZ 3.3Å; Q26-R36 PolarHBondContact O-N 2.8Å
27W96.3Very high93.1Very high53 Ų5364.8 Ų64.820%0.20134%0.343CS..EExtended strand (participates in β ladder)trans-68.2142.3167.9-61.5109.8000111.1M14 I17 R32 F35 I111M14-W27 HydrophobicContact CG-CH2 4.07Å; M14-W27 HydrophobicContact CG-CZ2 4.35Å; I17-W27 HydrophobicContact CB-CZ2 4.44Å; I17-W27 HydrophobicContact CD1-CH2 4.21Å; I17-W27 HydrophobicContact CD1-CZ2 4.22Å; I17-W27 HydrophobicContact CG2-CD2 3.95Å; I17-W27 HydrophobicContact CG2-CG 3.95Å; I17-W27 HydrophobicContact CG2-CZ2 4.23Å; W27-R32 HydrophobicContact CD2-CB 3.7Å; W27-R32 HydrophobicContact CD2-CG 3.83Å; W27-R32 VanDerWaalsContact CE3-CA 3.43Å; W27-R32 HydrophobicContact CE3-CB 3.71Å; W27-R32 HydrophobicContact CE3-CG 4.33Å; W27-R32 HydrophobicContact CG-CB 4.31Å; W27-R32 HydrophobicContact CG-CG 3.94Å; W27-R32 HydrophobicContact CH2-CB 4.03Å; W27-R32 WeakPolarHBondContact CH2-O 3.46Å; W27-R32 HydrophobicContact CZ2-CB 4.02Å; W27-R32 HydrophobicContact CZ3-CB 3.9Å; W27-R32 WeakPolarHBondContact CZ3-O 3.49Å; W27-F35 HydrophobicContact CD2-CB 4.5Å; W27-F35 HydrophobicContact CE3-CB 3.84Å; W27-F35 HydrophobicContact CZ3-CB 4.08Å; W27-F35 HydrophobicContact CZ3-CD1 4.09Å; W27-I111 HydrophobicContact CH2-CD1 3.61Å; W27-I111 HydrophobicContact CZ3-CD1 3.71Å
28E92.1Very high93.1Very high65 Ų6565.2 Ų65.230%0.30435%0.346SS..SBendtrans-97.9-20.8175.7-74.6-73.2139.500111.9M34 R36 V108E28-M34 HydrophobicContact CB-CB 4.15Å; E28-M34 PolarHBondContact N-O 2.92Å; E28-R36 HydrophobicContact CG-CB 4.14Å; E28-R36 HydrophobicContact CG-CG 4.29Å; E28-R36 WeakPolarHBondContact OE1-CD 3.46Å; E28-R36 WeakPolarHBondContact OE1-CG 3.49Å; E28-R36 IonicContact OE1-CZ 2.8Å; E28-R36 IonicContact OE1-NE 3.92Å; E28-R36 IonicContact OE1-NH1 3.44Å; E28-R36 PolarHBondContact OE1-NH1 2.99Å; E28-V108 HydrophobicContact CG-CG1 4.35Å; E28-V108 HydrophobicContact CG-CG2 4.38Å
29D89.6Confident93.2Very high25 Ų2559.4 Ų59.413%0.13432%0.318CS..SBendtrans-130151.2-179.666.9-46.4000111.8S31 R32 T33 M34D29-S31 PolarHBondContact O-N 3.33Å; D29-S31 WeakPolarHBondContact OD2-CB 3.26Å; D29-S31 PolarHBondContact OD2-OG 3.27Å; D29-R32 PolarHBondContact O-N 2.89Å; D29-R32 VanDerWaalsContact O-N 3.12Å; D29-R32 PolarHBondContact OD2-N 3.35Å; D29-T33 PolarHBondContact OD1-N 2.88Å; D29-T33 WeakPolarHBondContact OD2-CB 3.38Å; D29-T33 PolarHBondContact OD2-N 3.02Å; D29-T33 PolarHBondContact OD2-OG1 2.96Å; D29-M34 HydrophobicContact CB-CE 4.12Å; D29-M34 WeakPolarHBondContact OD1-CA 3.39Å; D29-M34 PolarHBondContact OD1-N 3.36Å
30E88Confident93.3Very high199 Ų19957.9 Ų57.993%0.9331%0.306SS*.THydrogen-bonded Turntrans-65.1-30.2177.9-64.9-176.4178.200112.4R32E30-R32 PolarHBondContact O-N 3.42Å
31S89.5Confident93.1Very high89 Ų8958.8 Ų58.862%0.62230%0.296SS*.THydrogen-bonded Turntrans-71.6-3.9175.738.20000114.3D29 T33D29-S31 PolarHBondContact O-N 3.33Å; D29-S31 WeakPolarHBondContact OD2-CB 3.26Å; D29-S31 PolarHBondContact OD2-OG 3.27Å; S31-T33 PolarHBondContact O-N 3.5Å
32R91.3Very high92.7Very high133 Ų13355 Ų5550%0.50229%0.289SS..SBendtrans5341.1178.3-56.6-176.7-175.2-172.50.6112.9W27 D29 E30W27-R32 HydrophobicContact CD2-CB 3.7Å; W27-R32 HydrophobicContact CD2-CG 3.83Å; W27-R32 VanDerWaalsContact CE3-CA 3.43Å; W27-R32 HydrophobicContact CE3-CB 3.71Å; W27-R32 HydrophobicContact CE3-CG 4.33Å; W27-R32 HydrophobicContact CG-CB 4.31Å; W27-R32 HydrophobicContact CG-CG 3.94Å; W27-R32 HydrophobicContact CH2-CB 4.03Å; W27-R32 WeakPolarHBondContact CH2-O 3.46Å; W27-R32 HydrophobicContact CZ2-CB 4.02Å; W27-R32 HydrophobicContact CZ3-CB 3.9Å; W27-R32 WeakPolarHBondContact CZ3-O 3.49Å; D29-R32 PolarHBondContact O-N 2.89Å; D29-R32 VanDerWaalsContact O-N 3.12Å; D29-R32 PolarHBondContact OD2-N 3.35Å; E30-R32 PolarHBondContact O-N 3.42Å
33T92.1Very high92.1Very high57 Ų5757.3 Ų57.335%0.3532%0.323SS..  trans-102.9-16.9176.3670000112D29 S31 R110 I111D29-T33 PolarHBondContact OD1-N 2.88Å; D29-T33 WeakPolarHBondContact OD2-CB 3.38Å; D29-T33 PolarHBondContact OD2-N 3.02Å; D29-T33 PolarHBondContact OD2-OG1 2.96Å; S31-T33 PolarHBondContact O-N 3.5Å; T33-R110 CarbonylContact O-C 3.49Å; T33-R110 WeakPolarHBondContact O-CA 3.43Å; T33-I111 PolarHBondContact O-N 2.8Å
34M95.1Very high91.7Very high28 Ų2856.1 Ų56.114%0.13831%0.307CS..EExtended strand (participates in β ladder)trans-131.7136.9179.3-70.7178.7-75.300110.9E28 D29 V108 Y109 R110E28-M34 HydrophobicContact CB-CB 4.15Å; E28-M34 PolarHBondContact N-O 2.92Å; D29-M34 HydrophobicContact CB-CE 4.12Å; D29-M34 WeakPolarHBondContact OD1-CA 3.39Å; D29-M34 PolarHBondContact OD1-N 3.36Å; M34-V108 HydrophobicContact CB-CG1 4.44Å; M34-Y109 VanDerWaalsContact CA-O 3.29Å; M34-Y109 WeakPolarHBondContact CA-O 3.47Å; M34-R110 HydrophobicContact CG-CB 4.05Å; M34-R110 HydrophobicContact CG-CG 4.06Å
35F96.8Very high91.3Very high1 Ų164.6 Ų64.60%0.00434%0.339CS..EExtended strand (participates in β ladder)trans-137.9157.2176.764.4-85.1000110.2L13 I17 Q26 W27 I37 F91 V108 Y109 I111L13-F35 HydrophobicContact CD2-CE1 4.33Å; L13-F35 HydrophobicContact CD2-CE2 3.45Å; L13-F35 VanDerWaalsContact CD2-CE2 3.45Å; L13-F35 HydrophobicContact CD2-CZ 3.34Å; L13-F35 HydrophobicContact CG-CE2 4.19Å; L13-F35 HydrophobicContact CG-CZ 4.35Å; I17-F35 HydrophobicContact CD1-CB 3.65Å; I17-F35 HydrophobicContact CD1-CD1 3.96Å; I17-F35 HydrophobicContact CD1-CD2 3.63Å; I17-F35 HydrophobicContact CD1-CE2 4.27Å; I17-F35 HydrophobicContact CD1-CG 3.45Å; I17-F35 VanDerWaalsContact CD1-CG 3.45Å; I17-F35 HydrophobicContact CG1-CB 4.47Å; I17-F35 HydrophobicContact CG1-CD2 4.42Å; Q26-F35 CarbonylContact O-C 3.45Å; Q26-F35 VanDerWaalsContact O-CA 3.26Å; Q26-F35 WeakPolarHBondContact O-CA 3.44Å; Q26-F35 WeakPolarHBondContact O-CB 3.48Å; W27-F35 HydrophobicContact CD2-CB 4.5Å; W27-F35 HydrophobicContact CE3-CB 3.84Å; W27-F35 HydrophobicContact CZ3-CB 4.08Å; W27-F35 HydrophobicContact CZ3-CD1 4.09Å; F35-I37 HydrophobicContact CD2-CG1 3.98Å; F35-I37 HydrophobicContact CE2-CD1 3.85Å; F35-I37 HydrophobicContact CE2-CG1 3.67Å; F35-F91 AromaticContact CE1-CD1 3.76Å; F35-F91 HydrophobicContact CE1-CD1 3.76Å; F35-F91 AromaticContact CE1-CE1 3.58Å; F35-F91 HydrophobicContact CE1-CE1 3.58Å; F35-F91 AromaticContact CZ-CD1 3.8Å; F35-F91 HydrophobicContact CZ-CD1 3.8Å; F35-F91 AromaticContact CZ-CE1 3.59Å; F35-F91 HydrophobicContact CZ-CE1 3.59Å; F35-F91 HydrophobicContact CZ-CZ 4.5Å; F35-V108 WeakPolarHBondContact O-CA 3.1Å; F35-Y109 HydrophobicContact CE2-CD2 4.2Å; F35-Y109 HydrophobicContact CE2-CG 4.44Å; F35-Y109 HydrophobicContact CZ-CD2 4.45Å; F35-Y109 HydrophobicContact CZ-CG 4.24Å; F35-Y109 PolarHBondContact N-O 3.05Å; F35-Y109 PolarHBondContact O-N 3.31Å; F35-I111 HydrophobicContact CD1-CD1 4.38Å; F35-I111 HydrophobicContact CD1-CG1 4.16Å; F35-I111 HydrophobicContact CE1-CD1 4.42Å; F35-I111 HydrophobicContact CE1-CG1 3.91Å
36R97.1Very high90.8Very high55 Ų5568.4 Ų68.421%0.20836%0.359CS..EExtended strand (participates in β ladder)trans-109145.1174.662.3160.9-179.4-146.88.3112G24 L25 Q26 E28 Y106 K107 V108G24-R36 WeakPolarHBondContact O-CG 3.44Å; G24-R36 PolarHBondContact O-NE 3.41Å; L25-R36 WeakPolarHBondContact CA-O 3.33Å; L25-R36 WeakPolarHBondContact CD1-O 3.47Å; Q26-R36 VanDerWaalsContact CD-NE 3.35Å; Q26-R36 HydrophobicContact CG-CG 3.75Å; Q26-R36 VanDerWaalsContact CG-NE 3.27Å; Q26-R36 PolarHBondContact N-O 3.1Å; Q26-R36 VanDerWaalsContact NE2-CZ 3.3Å; Q26-R36 PolarHBondContact O-N 2.8Å; E28-R36 HydrophobicContact CG-CB 4.14Å; E28-R36 HydrophobicContact CG-CG 4.29Å; E28-R36 WeakPolarHBondContact OE1-CD 3.46Å; E28-R36 WeakPolarHBondContact OE1-CG 3.49Å; E28-R36 IonicContact OE1-CZ 2.8Å; E28-R36 IonicContact OE1-NE 3.92Å; E28-R36 IonicContact OE1-NH1 3.44Å; E28-R36 PolarHBondContact OE1-NH1 2.99Å; R36-Y106 HydrophobicContact CB-CD2 3.71Å; R36-Y106 HydrophobicContact CB-CE2 4.36Å; R36-Y106 HydrophobicContact CB-CG 4.18Å; R36-Y106 HydrophobicContact CG-CD2 4.46Å; R36-K107 CarbonylContact C-O 3.48Å; R36-K107 WeakPolarHBondContact CA-O 3.18Å; R36-V108 HydrophobicContact CB-CG2 4.2Å
37I97.3Very high90.5Very high0 Ų066.6 Ų66.60%035%0.349CS..EExtended strand (participates in β ladder)trans-116.5128.5172.5-50.7-178.2000108.8L25 F35 W39 I55 F56 L85 Y106 K107 Y109L25-I37 HydrophobicContact CD1-CB 4.5Å; L25-I37 HydrophobicContact CD1-CG1 4.04Å; F35-I37 HydrophobicContact CD2-CG1 3.98Å; F35-I37 HydrophobicContact CE2-CD1 3.85Å; F35-I37 HydrophobicContact CE2-CG1 3.67Å; I37-W39 HydrophobicContact CB-CE3 4.41Å; I37-W39 HydrophobicContact CG2-CE3 4.2Å; I37-W39 HydrophobicContact CG2-CZ3 4.26Å; I37-W39 PolarHBondContact O-N 3.46Å; I37-I55 HydrophobicContact CG2-CG2 4.18Å; I37-F56 HydrophobicContact CG2-CE1 4.38Å; I37-F56 HydrophobicContact CG2-CZ 4.36Å; I37-L85 HydrophobicContact CD1-CD1 3.6Å; I37-Y106 CarbonylContact O-C 3.59Å; I37-Y106 WeakPolarHBondContact O-CA 3.48Å; I37-Y106 WeakPolarHBondContact O-CB 3.11Å; I37-K107 PolarHBondContact N-O 3.34Å; I37-K107 PolarHBondContact O-N 3.25Å; I37-Y109 HydrophobicContact CD1-CD2 3.98Å; I37-Y109 HydrophobicContact CD1-CE2 3.81Å; I37-Y109 HydrophobicContact CG1-CD2 4.14Å; I37-Y109 HydrophobicContact CG1-CE2 4.19Å
38P95.1Very high90.2Very high16 Ų1667.8 Ų67.810%0.10436%0.359CS..EExtended strand (participates in β ladder)trans-54.9136.3170.3-19.728.4000111.7S23 F56 P105S23-P38 WeakPolarHBondContact O-CG 3.2Å; P38-F56 WeakPolarHBondContact O-CZ 3.36Å; P38-P105 CarbonylContact C-O 3.55Å; P38-P105 WeakPolarHBondContact CA-O 3.32Å
39W95.1Very high90.1Very high15 Ų1568.8 Ų68.86%0.05736%0.364CS..  trans-133.129.9-170.1-146.4-98.4000114.3I37 F56 K78 R82 L100 P105 K107I37-W39 HydrophobicContact CB-CE3 4.41Å; I37-W39 HydrophobicContact CG2-CE3 4.2Å; I37-W39 HydrophobicContact CG2-CZ3 4.26Å; I37-W39 PolarHBondContact O-N 3.46Å; W39-F56 HydrophobicContact CD2-CZ 4.49Å; W39-F56 HydrophobicContact CE3-CE1 4.19Å; W39-F56 AromaticContact CE3-CZ 3.84Å; W39-F56 HydrophobicContact CE3-CZ 3.84Å; W39-F56 HydrophobicContact CH2-CE1 4.22Å; W39-F56 AromaticContact CZ3-CE1 3.73Å; W39-F56 HydrophobicContact CZ3-CE1 3.73Å; W39-F56 AromaticContact CZ3-CZ 3.87Å; W39-F56 HydrophobicContact CZ3-CZ 3.87Å; W39-K78 HydrophobicContact CZ2-CG 4.29Å; W39-K78 VanDerWaalsContact NE1-CE 3.26Å; W39-K78 PolarHBondContact O-NZ 3.38Å; W39-R82 HydrophobicContact CH2-CB 3.93Å; W39-R82 HydrophobicContact CH2-CG 4.34Å; W39-R82 HydrophobicContact CZ2-CB 4.07Å; W39-R82 HydrophobicContact CZ2-CG 4.19Å; W39-L100 HydrophobicContact CB-CD2 3.78Å; W39-L100 HydrophobicContact CG-CD2 3.96Å; W39-P105 PolarHBondContact N-O 2.87Å; W39-K107 HydrophobicContact CB-CG 4.2Å; W39-K107 HydrophobicContact CD2-CD 3.65Å; W39-K107 HydrophobicContact CD2-CG 3.9Å; W39-K107 HydrophobicContact CE3-CB 4.38Å; W39-K107 HydrophobicContact CE3-CD 3.96Å; W39-K107 HydrophobicContact CE3-CG 4.19Å; W39-K107 HydrophobicContact CG-CD 4.05Å; W39-K107 HydrophobicContact CG-CG 3.89Å; W39-K107 HydrophobicContact CH2-CD 4.31Å; W39-K107 HydrophobicContact CZ2-CD 4.04Å; W39-K107 HydrophobicContact CZ3-CD 4.27Å
40K93.6Very high90Very high11 Ų1175.5 Ų75.55%0.04840%0.395CS..  trans-57.2142.9-178.1-150.3173.9-165.3168.90112.4K44 D46 Y47 D52 K78 E104 P105K40-K44 HydrophobicContact CG-CD 4.11Å; K40-D46 WeakPolarHBondContact CE-O 3.15Å; K40-D46 WeakPolarHBondContact CE-OD1 3.41Å; K40-D46 WeakPolarHBondContact CE-OD2 3.42Å; K40-D46 PolarHBondContact NZ-O 2.93Å; K40-D46 IonicContact NZ-OD1 2.9Å; K40-D46 IonicContact NZ-OD2 2.61Å; K40-D46 PolarHBondContact NZ-OD2 3.13Å; K40-Y47 HydrophobicContact CB-CD2 4.18Å; K40-Y47 HydrophobicContact CB-CE2 4.43Å; K40-Y47 HydrophobicContact CD-CD2 4.32Å; K40-Y47 HydrophobicContact CG-CD2 4.19Å; K40-D52 HydrophobicContact CB-CB 4.21Å; K40-D52 VanDerWaalsContact CD-CG 3.46Å; K40-D52 VanDerWaalsContact CD-OD1 3.23Å; K40-D52 WeakPolarHBondContact CD-OD1 3.39Å; K40-D52 WeakPolarHBondContact CD-OD2 3.44Å; K40-K78 PolarHBondContact O-NZ 2.98Å; K40-E104 IonicContact NZ-OE1 3.17Å; K40-P105 HydrophobicContact CB-CG 4.08Å; K40-P105 HydrophobicContact CG-CG 4.18Å
41H87.4Confident90.1Very high101 Ų10169.5 Ų69.547%0.46837%0.371SS..  trans-88.9133.5178.9-78.3-86.9000110G43 K44 Y47H41-G43 PolarHBondContact O-N 3.36Å; H41-G43 VanDerWaalsContact O-N 3.09Å; H41-K44 HydrophobicContact CB-CG 4.42Å; H41-K44 PolarHBondContact O-N 3.43Å; H41-Y47 WeakPolarHBondContact O-CD2 3.33Å
42A83Confident90.3Very high65 Ų6565.8 Ų65.854%0.53735%0.345SS..THydrogen-bonded Turntrans-61.3-18.7-179.200000114.2Y47A42-Y47 HydrophobicContact CB-CD1 4.15Å; A42-Y47 HydrophobicContact CB-CE1 3.84Å; A42-Y47 HydrophobicContact CB-CE2 4.28Å; A42-Y47 HydrophobicContact CB-CG 4.49Å
43G81Confident90.4Very high81 Ų8159.5 Ų59.584%0.83532%0.321SS*.THydrogen-bonded Turntrans-83.8-1.1175.600000115.2H41H41-G43 PolarHBondContact O-N 3.36Å; H41-G43 VanDerWaalsContact O-N 3.09Å
44K82.7Confident90.5Very high66 Ų6658.1 Ų58.129%0.28731%0.314SS..SBendtrans-77.1141.2174.2-70.1-165.1175.2-174.70110.2K40 H41 D46 Y47 I102K40-K44 HydrophobicContact CG-CD 4.11Å; H41-K44 HydrophobicContact CB-CG 4.42Å; H41-K44 PolarHBondContact O-N 3.43Å; K44-D46 WeakPolarHBondContact CB-OD1 3.24Å; K44-D46 PolarHBondContact O-N 3.38Å; K44-Y47 WeakPolarHBondContact O-CB 3.47Å; K44-Y47 PolarHBondContact O-N 3.06Å; K44-Y47 VanDerWaalsContact O-N 3.08Å; K44-I102 PolarHBondContact NZ-O 2.8Å; K44-I102 VanDerWaalsContact NZ-O 3.16Å
45Q81.3Confident90.5Very high206 Ų20656.9 Ų56.996%0.96331%0.308SS*.THydrogen-bonded Turntrans-61.1-30.1-179.3-173.8-176.9-3.300113Y47Q45-Y47 VanDerWaalsContact C-N 3.33Å
46D86.9Confident90.4Very high88 Ų8857 Ų5747%0.47131%0.308SS..THydrogen-bonded Turntrans-94.818.7179.269-30.7000112.8K40 K44 N48K40-D46 WeakPolarHBondContact CE-O 3.15Å; K40-D46 WeakPolarHBondContact CE-OD1 3.41Å; K40-D46 WeakPolarHBondContact CE-OD2 3.42Å; K40-D46 PolarHBondContact NZ-O 2.93Å; K40-D46 IonicContact NZ-OD1 2.9Å; K40-D46 IonicContact NZ-OD2 2.61Å; K40-D46 PolarHBondContact NZ-OD2 3.13Å; K44-D46 WeakPolarHBondContact CB-OD1 3.24Å; K44-D46 PolarHBondContact O-N 3.38Å; D46-N48 PolarHBondContact O-N 3.34Å
47Y89.1Confident90.3Very high45 Ų4558.2 Ų58.218%0.17632%0.315CS..  trans-75.7118.9175.1-176.2-100.2000110.7K40 H41 A42 K44 Q45 Q49 D52K40-Y47 HydrophobicContact CB-CD2 4.18Å; K40-Y47 HydrophobicContact CB-CE2 4.43Å; K40-Y47 HydrophobicContact CD-CD2 4.32Å; K40-Y47 HydrophobicContact CG-CD2 4.19Å; H41-Y47 WeakPolarHBondContact O-CD2 3.33Å; A42-Y47 HydrophobicContact CB-CD1 4.15Å; A42-Y47 HydrophobicContact CB-CE1 3.84Å; A42-Y47 HydrophobicContact CB-CE2 4.28Å; A42-Y47 HydrophobicContact CB-CG 4.49Å; K44-Y47 WeakPolarHBondContact O-CB 3.47Å; K44-Y47 PolarHBondContact O-N 3.06Å; K44-Y47 VanDerWaalsContact O-N 3.08Å; Q45-Y47 VanDerWaalsContact C-N 3.33Å; Y47-Q49 HydrophobicContact CE1-CB 4.1Å; Y47-D52 WeakPolarHBondContact CA-OD2 2.99Å; Y47-D52 HydrophobicContact CD2-CB 3.69Å; Y47-D52 HydrophobicContact CE2-CB 3.34Å
48N90.6Very high90.1Very high77 Ų7759 Ų5941%0.41232%0.322SS..  trans-106.5108.8171.2-178.1-31.1000108.9D46 E50 V51 D52D46-N48 PolarHBondContact O-N 3.34Å; N48-E50 VanDerWaalsContact C-N 3.26Å; N48-E50 PolarHBondContact O-N 3.44Å; N48-E50 WeakPolarHBondContact OD1-CB 3.25Å; N48-E50 PolarHBondContact OD1-N 2.89Å; N48-V51 HydrophobicContact CB-CB 4.28Å; N48-V51 HydrophobicContact CB-CG2 4.41Å; N48-V51 PolarHBondContact O-N 3.33Å; N48-V51 VanDerWaalsContact O-N 3.15Å; N48-V51 PolarHBondContact OD1-N 3.35Å; N48-D52 PolarHBondContact N-OD2 3.44Å; N48-D52 VanDerWaalsContact O-CB 3.24Å; N48-D52 WeakPolarHBondContact O-CB 3.31Å; N48-D52 PolarHBondContact O-N 3.21Å
49Q89.1Confident90.1Very high87 Ų8759.2 Ų59.241%0.40732%0.32SS..Hα-helixtrans-54.4-38.6-179.3174.9173.7-41.500113.6Y47 V51 A53 P74Y47-Q49 HydrophobicContact CE1-CB 4.1Å; Q49-V51 VanDerWaalsContact C-N 3.33Å; Q49-V51 PolarHBondContact O-N 3.07Å; Q49-A53 HydrophobicContact CG-CB 4.34Å; Q49-A53 WeakPolarHBondContact O-CA 3.45Å; Q49-A53 WeakPolarHBondContact O-CB 3.42Å; Q49-A53 PolarHBondContact O-N 3.04Å; Q49-A53 VanDerWaalsContact O-N 3.08Å; Q49-P74 HydrophobicContact CG-CG 3.5Å
50E88.3Confident89.9Confident166 Ų16658.6 Ų58.678%0.77632%0.318SS*.Hα-helixtrans-68.3-37.1-177.1-62.1-174.3168.200111.7N48 S54N48-E50 VanDerWaalsContact C-N 3.26Å; N48-E50 PolarHBondContact O-N 3.44Å; N48-E50 WeakPolarHBondContact OD1-CB 3.25Å; N48-E50 PolarHBondContact OD1-N 2.89Å; E50-S54 VanDerWaalsContact O-CB 3.31Å; E50-S54 WeakPolarHBondContact O-CB 3.43Å
51V89.9Confident89.8Confident72 Ų7261.8 Ų61.844%0.43634%0.339SS..Hα-helixtrans-87.4-54.9-178.3-179.10000110.8N48 Q49 A53 S54N48-V51 HydrophobicContact CB-CB 4.28Å; N48-V51 HydrophobicContact CB-CG2 4.41Å; N48-V51 PolarHBondContact O-N 3.33Å; N48-V51 VanDerWaalsContact O-N 3.15Å; N48-V51 PolarHBondContact OD1-N 3.35Å; Q49-V51 VanDerWaalsContact C-N 3.33Å; Q49-V51 PolarHBondContact O-N 3.07Å; V51-A53 VanDerWaalsContact C-N 3.33Å; V51-A53 PolarHBondContact O-N 3.24Å; V51-S54 VanDerWaalsContact O-CB 3.25Å; V51-S54 WeakPolarHBondContact O-CB 3.32Å; V51-S54 PolarHBondContact O-N 3.34Å; V51-S54 PolarHBondContact O-OG 3.22Å
52D92.5Very high89.9Confident12 Ų1258.6 Ų58.66%0.06432%0.324CS..Hα-helixtrans-74.4-22.5-173.1-65-55.2000113.2K40 Y47 N48K40-D52 HydrophobicContact CB-CB 4.21Å; K40-D52 VanDerWaalsContact CD-CG 3.46Å; K40-D52 VanDerWaalsContact CD-OD1 3.23Å; K40-D52 WeakPolarHBondContact CD-OD1 3.39Å; K40-D52 WeakPolarHBondContact CD-OD2 3.44Å; Y47-D52 WeakPolarHBondContact CA-OD2 2.99Å; Y47-D52 HydrophobicContact CD2-CB 3.69Å; Y47-D52 HydrophobicContact CE2-CB 3.34Å; N48-D52 PolarHBondContact N-OD2 3.44Å; N48-D52 VanDerWaalsContact O-CB 3.24Å; N48-D52 WeakPolarHBondContact O-CB 3.31Å; N48-D52 PolarHBondContact O-N 3.21Å
53A93.4Very high90.1Very high1 Ų161 Ų611%0.00832%0.322CS..THydrogen-bonded Turntrans-97.8-2.4173.400000113.9Q49 V51 I55 F56 K57 P74 W77Q49-A53 HydrophobicContact CG-CB 4.34Å; Q49-A53 WeakPolarHBondContact O-CA 3.45Å; Q49-A53 WeakPolarHBondContact O-CB 3.42Å; Q49-A53 PolarHBondContact O-N 3.04Å; Q49-A53 VanDerWaalsContact O-N 3.08Å; V51-A53 VanDerWaalsContact C-N 3.33Å; V51-A53 PolarHBondContact O-N 3.24Å; A53-I55 PolarHBondContact O-N 3.28Å; A53-F56 PolarHBondContact O-N 3.48Å; A53-F56 VanDerWaalsContact O-N 3.1Å; A53-K57 WeakPolarHBondContact O-CB 3.37Å; A53-K57 PolarHBondContact O-N 3.45Å; A53-P74 HydrophobicContact CB-CB 3.82Å; A53-P74 HydrophobicContact CB-CG 4.26Å; A53-W77 HydrophobicContact CB-CE3 4.48Å
54S94.3Very high90.3Very high28 Ų2859.8 Ų59.820%0.19631%0.309CS..Hα-helixtrans-53.1-52.7-169.456.60000113.8E50 V51 F56 K57 A58E50-S54 VanDerWaalsContact O-CB 3.31Å; E50-S54 WeakPolarHBondContact O-CB 3.43Å; V51-S54 VanDerWaalsContact O-CB 3.25Å; V51-S54 WeakPolarHBondContact O-CB 3.32Å; V51-S54 PolarHBondContact O-N 3.34Å; V51-S54 PolarHBondContact O-OG 3.22Å; S54-F56 VanDerWaalsContact C-N 3.34Å; S54-F56 PolarHBondContact O-N 3.41Å; S54-K57 WeakPolarHBondContact O-CB 3.47Å; S54-K57 PolarHBondContact O-N 3.48Å; S54-A58 WeakPolarHBondContact O-CB 3.44Å; S54-A58 PolarHBondContact O-N 2.96Å
55I95.9Very high90.4Very high2 Ų263 Ų631%0.0132%0.323CS..Hα-helixtrans-66.8-35.1179.8-173.757.9000112.3W12 Q16 Y22 L25 I37 A53 A58 W59W12-I55 HydrophobicContact CH2-CD1 3.69Å; W12-I55 HydrophobicContact CZ3-CD1 4.19Å; Q16-I55 HydrophobicContact CB-CD1 3.93Å; Q16-I55 HydrophobicContact CG-CD1 4Å; Y22-I55 HydrophobicContact CD1-CB 4.02Å; Y22-I55 HydrophobicContact CD1-CD1 4.32Å; Y22-I55 HydrophobicContact CD2-CD1 3.87Å; Y22-I55 HydrophobicContact CE1-CD1 4.33Å; Y22-I55 HydrophobicContact CE2-CD1 3.91Å; Y22-I55 HydrophobicContact CG-CB 4.15Å; Y22-I55 HydrophobicContact CG-CD1 4.08Å; L25-I55 HydrophobicContact CD2-CD1 3.74Å; L25-I55 HydrophobicContact CD2-CG1 4.12Å; I37-I55 HydrophobicContact CG2-CG2 4.18Å; A53-I55 PolarHBondContact O-N 3.28Å; I55-A58 PolarHBondContact O-N 3.21Å; I55-W59 PolarHBondContact O-N 2.86Å
56F95.7Very high90.6Very high2 Ų254 Ų541%0.00928%0.281CS..Hα-helixtrans-69.7-40.8176.8-53-58.8000111.1I37 P38 W39 A53 S54 W59 A60 W77 K78 L81I37-F56 HydrophobicContact CG2-CE1 4.38Å; I37-F56 HydrophobicContact CG2-CZ 4.36Å; P38-F56 WeakPolarHBondContact O-CZ 3.36Å; W39-F56 HydrophobicContact CD2-CZ 4.49Å; W39-F56 HydrophobicContact CE3-CE1 4.19Å; W39-F56 AromaticContact CE3-CZ 3.84Å; W39-F56 HydrophobicContact CE3-CZ 3.84Å; W39-F56 HydrophobicContact CH2-CE1 4.22Å; W39-F56 AromaticContact CZ3-CE1 3.73Å; W39-F56 HydrophobicContact CZ3-CE1 3.73Å; W39-F56 AromaticContact CZ3-CZ 3.87Å; W39-F56 HydrophobicContact CZ3-CZ 3.87Å; A53-F56 PolarHBondContact O-N 3.48Å; A53-F56 VanDerWaalsContact O-N 3.1Å; S54-F56 VanDerWaalsContact C-N 3.34Å; S54-F56 PolarHBondContact O-N 3.41Å; F56-W59 PolarHBondContact O-N 3.19Å; F56-A60 PolarHBondContact O-N 3.13Å; F56-W77 HydrophobicContact CB-CB 3.78Å; F56-K78 HydrophobicContact CD1-CB 4.17Å; F56-K78 HydrophobicContact CD1-CG 4.22Å; F56-K78 HydrophobicContact CD2-CB 4.03Å; F56-K78 HydrophobicContact CD2-CG 4.2Å; F56-K78 HydrophobicContact CE1-CB 4.41Å; F56-K78 HydrophobicContact CE1-CG 3.95Å; F56-K78 HydrophobicContact CE2-CB 4.32Å; F56-K78 HydrophobicContact CE2-CD 4.07Å; F56-K78 HydrophobicContact CE2-CG 3.97Å; F56-K78 HydrophobicContact CG-CB 4Å; F56-K78 HydrophobicContact CG-CG 4.37Å; F56-K78 HydrophobicContact CZ-CD 4.21Å; F56-K78 HydrophobicContact CZ-CG 3.84Å; F56-L81 HydrophobicContact CD1-CB 3.99Å; F56-L81 HydrophobicContact CD1-CD2 3.55Å; F56-L81 HydrophobicContact CD1-CG 4.34Å; F56-L81 HydrophobicContact CE1-CD2 3.83Å
57K93.8Very high90.5Very high82 Ų8257 Ų5736%0.35729%0.29SS..Hα-helixtrans-60.4-46.9172.7-175.9-175.8176.9-172.30110.3A53 S54 W59 A60 V61 F66 W77A53-K57 WeakPolarHBondContact O-CB 3.37Å; A53-K57 PolarHBondContact O-N 3.45Å; S54-K57 WeakPolarHBondContact O-CB 3.47Å; S54-K57 PolarHBondContact O-N 3.48Å; K57-W59 VanDerWaalsContact C-N 3.3Å; K57-W59 PolarHBondContact O-N 3.23Å; K57-A60 WeakPolarHBondContact O-CB 3.42Å; K57-A60 PolarHBondContact O-N 3.39Å; K57-A60 VanDerWaalsContact O-N 3.07Å; K57-V61 WeakPolarHBondContact O-CG2 3.35Å; K57-V61 PolarHBondContact O-N 3.09Å; K57-F66 HydrophobicContact CD-CE1 4.44Å; K57-F66 HydrophobicContact CG-CD1 4.32Å; K57-F66 HydrophobicContact CG-CE1 4.21Å; K57-W77 HydrophobicContact CB-CD2 4.44Å; K57-W77 HydrophobicContact CB-CE3 3.68Å; K57-W77 HydrophobicContact CB-CH2 4.36Å; K57-W77 HydrophobicContact CB-CZ3 3.64Å; K57-W77 HydrophobicContact CD-CH2 4.31Å; K57-W77 HydrophobicContact CD-CZ3 4.15Å; K57-W77 HydrophobicContact CG-CE3 4.17Å; K57-W77 HydrophobicContact CG-CH2 3.96Å; K57-W77 HydrophobicContact CG-CZ3 3.73Å
58A94.2Very high89.8Confident17 Ų1763.7 Ų63.714%0.1432%0.322CS..Hα-helixtrans-59.1-40.8177.900000112.2W12 Y22 S54 I55 V61 F62W12-A58 HydrophobicContact CH2-CB 4.31Å; W12-A58 HydrophobicContact CZ2-CB 3.94Å; Y22-A58 HydrophobicContact CE1-CB 3.82Å; Y22-A58 WeakPolarHBondContact OH-CB 3.49Å; S54-A58 WeakPolarHBondContact O-CB 3.44Å; S54-A58 PolarHBondContact O-N 2.96Å; I55-A58 PolarHBondContact O-N 3.21Å; A58-V61 PolarHBondContact O-N 3.46Å; A58-F62 VanDerWaalsContact O-CB 3.26Å; A58-F62 WeakPolarHBondContact O-CB 3.45Å; A58-F62 PolarHBondContact O-N 2.73Å
59W93.8Very high89Confident19 Ų1963.8 Ų63.87%0.07234%0.342CS..Hα-helixtrans-62.7-42173.5178.6-118.9000112.4L9 W12 I55 F56 K57 F62 K63 L81 A84L9-W59 HydrophobicContact CB-CH2 3.9Å; L9-W59 HydrophobicContact CB-CZ3 4.47Å; L9-W59 HydrophobicContact CD1-CD2 4.28Å; L9-W59 HydrophobicContact CD1-CE3 3.96Å; L9-W59 HydrophobicContact CD1-CH2 3.35Å; L9-W59 HydrophobicContact CD1-CZ2 3.71Å; L9-W59 HydrophobicContact CD1-CZ3 3.48Å; L9-W59 VanDerWaalsContact CD1-CZ3 3.48Å; L9-W59 HydrophobicContact CG-CH2 4.17Å; W12-W59 HydrophobicContact CB-CZ3 4.46Å; W12-W59 AromaticContact CD2-CE3 3.69Å; W12-W59 HydrophobicContact CD2-CE3 3.69Å; W12-W59 AromaticContact CD2-CZ3 3.92Å; W12-W59 HydrophobicContact CD2-CZ3 3.92Å; W12-W59 HydrophobicContact CE3-CD2 4.42Å; W12-W59 AromaticContact CE3-CE3 3.37Å; W12-W59 HydrophobicContact CE3-CE3 3.37Å; W12-W59 AromaticContact CE3-CZ3 3.73Å; W12-W59 HydrophobicContact CE3-CZ3 3.73Å; W12-W59 HydrophobicContact CG-CE3 4.44Å; W12-W59 HydrophobicContact CG-CZ3 4.26Å; W12-W59 HydrophobicContact CH2-CB 3.6Å; W12-W59 AromaticContact CH2-CE3 3.97Å; W12-W59 HydrophobicContact CH2-CE3 3.97Å; W12-W59 HydrophobicContact CH2-CG 4.45Å; W12-W59 HydrophobicContact CZ2-CB 4.26Å; W12-W59 HydrophobicContact CZ2-CE3 4.25Å; W12-W59 HydrophobicContact CZ3-CB 4.01Å; W12-W59 HydrophobicContact CZ3-CD2 4.2Å; W12-W59 AromaticContact CZ3-CE3 3.52Å; W12-W59 HydrophobicContact CZ3-CE3 3.52Å; W12-W59 HydrophobicContact CZ3-CG 4.44Å; W12-W59 HydrophobicContact CZ3-CZ3 4.32Å; I55-W59 PolarHBondContact O-N 2.86Å; F56-W59 PolarHBondContact O-N 3.19Å; K57-W59 VanDerWaalsContact C-N 3.3Å; K57-W59 PolarHBondContact O-N 3.23Å; W59-F62 AromaticContact CE3-CD1 3.67Å; W59-F62 HydrophobicContact CE3-CD1 3.67Å; W59-F62 HydrophobicContact CE3-CE1 4.28Å; W59-F62 HydrophobicContact CH2-CD1 4.3Å; W59-F62 HydrophobicContact CH2-CE1 4.31Å; W59-F62 AromaticContact CZ3-CD1 3.42Å; W59-F62 HydrophobicContact CZ3-CD1 3.42Å; W59-F62 VanDerWaalsContact CZ3-CD1 3.42Å; W59-F62 AromaticContact CZ3-CE1 3.58Å; W59-F62 HydrophobicContact CZ3-CE1 3.58Å; W59-F62 PolarHBondContact O-N 2.85Å; W59-K63 HydrophobicContact CD2-CG 3.93Å; W59-K63 HydrophobicContact CE3-CG 4.23Å; W59-K63 HydrophobicContact CH2-CD 3.65Å; W59-K63 HydrophobicContact CH2-CG 3.95Å; W59-K63 HydrophobicContact CZ2-CD 3.64Å; W59-K63 HydrophobicContact CZ2-CG 3.59Å; W59-K63 HydrophobicContact CZ3-CD 4.18Å; W59-K63 HydrophobicContact CZ3-CG 4.25Å; W59-K63 WeakPolarHBondContact O-CB 3.27Å; W59-K63 WeakPolarHBondContact O-CG 3.46Å; W59-K63 PolarHBondContact O-N 2.75Å; W59-L81 HydrophobicContact CB-CD1 4.25Å; W59-L81 HydrophobicContact CD2-CD1 3.89Å; W59-L81 HydrophobicContact CG-CB 4.25Å; W59-L81 HydrophobicContact CG-CD1 3.73Å; W59-L81 HydrophobicContact CG-CG 4.44Å; W59-A84 HydrophobicContact CZ2-CB 4.01Å
60A91.8Very high88.7Confident2 Ų263.8 Ų63.82%0.01735%0.345CS..Hα-helixtrans-64.1-42177.900000112.3F56 K57 K63 G64 K65 F66 W77F56-A60 PolarHBondContact O-N 3.13Å; K57-A60 WeakPolarHBondContact O-CB 3.42Å; K57-A60 PolarHBondContact O-N 3.39Å; K57-A60 VanDerWaalsContact O-N 3.07Å; A60-K63 PolarHBondContact O-N 3.37Å; A60-G64 PolarHBondContact O-N 3.03Å; A60-K65 PolarHBondContact O-N 3.19Å; A60-F66 HydrophobicContact CB-CB 3.87Å; A60-F66 PolarHBondContact O-N 3.08Å; A60-W77 HydrophobicContact CB-CB 4.4Å; A60-W77 VanDerWaalsContact CB-CD1 3.46Å; A60-W77 HydrophobicContact CB-CD2 4.37Å; A60-W77 HydrophobicContact CB-CG 3.83Å
61V90.5Very high88.5Confident79 Ų7964.4 Ų64.448%0.47935%0.345SS..Hα-helixtrans-61.1-48.5172.8173.50000110.3K57 A58 K63 G64 F66K57-V61 WeakPolarHBondContact O-CG2 3.35Å; K57-V61 PolarHBondContact O-N 3.09Å; A58-V61 PolarHBondContact O-N 3.46Å; V61-K63 VanDerWaalsContact C-N 3.3Å; V61-K63 PolarHBondContact O-N 3.49Å; V61-G64 WeakPolarHBondContact O-CA 3.11Å; V61-G64 PolarHBondContact O-N 3.15Å; V61-F66 HydrophobicContact CG2-CD1 3.69Å; V61-F66 HydrophobicContact CG2-CE1 4.43Å
62F89.8Confident88.2Confident33 Ų3363 Ų6315%0.14534%0.34CS..Hα-helixtrans-61.5-36.8-178.9176.6-101.5000113.1R7 W12 A58 W59 G64R7-F62 HydrophobicContact CB-CE1 4.41Å; R7-F62 HydrophobicContact CB-CE2 4.1Å; R7-F62 HydrophobicContact CB-CZ 3.43Å; R7-F62 VanDerWaalsContact CB-CZ 3.43Å; R7-F62 HydrophobicContact CG-CZ 4.44Å; W12-F62 HydrophobicContact CB-CD1 4.48Å; W12-F62 HydrophobicContact CB-CE1 3.8Å; W12-F62 HydrophobicContact CB-CE2 4.28Å; W12-F62 HydrophobicContact CB-CZ 3.62Å; W12-F62 AromaticContact CD1-CD1 3.77Å; W12-F62 AromaticContact CD1-CD2 3.2Å; W12-F62 AromaticContact CD1-CE1 3.73Å; W12-F62 AromaticContact CD1-CE2 3.15Å; W12-F62 AromaticContact CD1-CG 3.46Å; W12-F62 VanDerWaalsContact CD1-CG 3.46Å; W12-F62 AromaticContact CD1-CZ 3.36Å; W12-F62 HydrophobicContact CD2-CD1 4.18Å; W12-F62 HydrophobicContact CD2-CE1 4.37Å; W12-F62 HydrophobicContact CD2-CG 4.31Å; W12-F62 AromaticContact CE2-CG 3.91Å; W12-F62 AromaticContact CG-CD1 3.86Å; W12-F62 HydrophobicContact CG-CD1 3.86Å; W12-F62 HydrophobicContact CG-CD2 4.08Å; W12-F62 AromaticContact CG-CE1 3.65Å; W12-F62 HydrophobicContact CG-CE1 3.65Å; W12-F62 AromaticContact CG-CE2 3.88Å; W12-F62 HydrophobicContact CG-CE2 3.88Å; W12-F62 HydrophobicContact CG-CG 4.02Å; W12-F62 AromaticContact CG-CZ 3.59Å; W12-F62 HydrophobicContact CG-CZ 3.59Å; W12-F62 HydrophobicContact CZ2-CB 4.28Å; W12-F62 AromaticContact NE1-CD1 3.93Å; W12-F62 AromaticContact NE1-CD2 3.32Å; W12-F62 VanDerWaalsContact NE1-CD2 3.32Å; W12-F62 AromaticContact NE1-CE2 3.81Å; W12-F62 AromaticContact NE1-CG 3.33Å; W12-F62 VanDerWaalsContact NE1-CG 3.33Å; A58-F62 VanDerWaalsContact O-CB 3.26Å; A58-F62 WeakPolarHBondContact O-CB 3.45Å; A58-F62 PolarHBondContact O-N 2.73Å; W59-F62 AromaticContact CE3-CD1 3.67Å; W59-F62 HydrophobicContact CE3-CD1 3.67Å; W59-F62 HydrophobicContact CE3-CE1 4.28Å; W59-F62 HydrophobicContact CH2-CD1 4.3Å; W59-F62 HydrophobicContact CH2-CE1 4.31Å; W59-F62 AromaticContact CZ3-CD1 3.42Å; W59-F62 HydrophobicContact CZ3-CD1 3.42Å; W59-F62 VanDerWaalsContact CZ3-CD1 3.42Å; W59-F62 AromaticContact CZ3-CE1 3.58Å; W59-F62 HydrophobicContact CZ3-CE1 3.58Å; W59-F62 PolarHBondContact O-N 2.85Å; F62-G64 PolarHBondContact O-N 3.4Å
63K87.7Confident88Confident117 Ų11766.5 Ų66.551%0.50936%0.357SS..THydrogen-bonded Turntrans-80.11.6173.6-68-60.3-60.6-179.40113.8W59 A60 V61 K65W59-K63 HydrophobicContact CD2-CG 3.93Å; W59-K63 HydrophobicContact CE3-CG 4.23Å; W59-K63 HydrophobicContact CH2-CD 3.65Å; W59-K63 HydrophobicContact CH2-CG 3.95Å; W59-K63 HydrophobicContact CZ2-CD 3.64Å; W59-K63 HydrophobicContact CZ2-CG 3.59Å; W59-K63 HydrophobicContact CZ3-CD 4.18Å; W59-K63 HydrophobicContact CZ3-CG 4.25Å; W59-K63 WeakPolarHBondContact O-CB 3.27Å; W59-K63 WeakPolarHBondContact O-CG 3.46Å; W59-K63 PolarHBondContact O-N 2.75Å; A60-K63 PolarHBondContact O-N 3.37Å; V61-K63 VanDerWaalsContact C-N 3.3Å; V61-K63 PolarHBondContact O-N 3.49Å; K63-K65 HydrophobicContact CB-CG 4.18Å; K63-K65 PolarHBondContact O-N 2.92Å
64G86Confident87.8Confident54 Ų5467.3 Ų67.356%0.55736%0.362SS*.THydrogen-bonded Turntrans65.919.4-178.300000113.9A60 V61 F62A60-G64 PolarHBondContact O-N 3.03Å; V61-G64 WeakPolarHBondContact O-CA 3.11Å; V61-G64 PolarHBondContact O-N 3.15Å; F62-G64 PolarHBondContact O-N 3.4Å
65K83.8Confident87.4Confident135 Ų13569.2 Ų69.259%0.58738%0.379SS*.SBendtrans-97.48-178-62.3-64.1-174.3-178.40113.3A60 K63 R80A60-K65 PolarHBondContact O-N 3.19Å; K63-K65 HydrophobicContact CB-CG 4.18Å; K63-K65 PolarHBondContact O-N 2.92Å; K65-R80 VanDerWaalsContact CB-NH1 3.34Å
66F86.3Confident87.1Confident16 Ų1671.2 Ų71.27%0.0739%0.392CS..  trans-155.5136.2174.4176.6-101.5000109.5K57 A60 V61 D70 W77K57-F66 HydrophobicContact CD-CE1 4.44Å; K57-F66 HydrophobicContact CG-CD1 4.32Å; K57-F66 HydrophobicContact CG-CE1 4.21Å; A60-F66 HydrophobicContact CB-CB 3.87Å; A60-F66 PolarHBondContact O-N 3.08Å; V61-F66 HydrophobicContact CG2-CD1 3.69Å; V61-F66 HydrophobicContact CG2-CE1 4.43Å; F66-D70 HydrophobicContact CD2-CB 3.74Å; F66-D70 HydrophobicContact CE2-CB 3.64Å; F66-D70 WeakPolarHBondContact CE2-O 3.32Å; F66-W77 HydrophobicContact CD1-CZ2 4.24Å; F66-W77 HydrophobicContact CD2-CH2 4.35Å; F66-W77 AromaticContact CD2-CZ2 3.42Å; F66-W77 HydrophobicContact CD2-CZ2 3.42Å; F66-W77 VanDerWaalsContact CD2-CZ2 3.42Å; F66-W77 HydrophobicContact CE1-CH2 4.44Å; F66-W77 HydrophobicContact CE1-CZ2 4.32Å; F66-W77 HydrophobicContact CE2-CH2 4.03Å; F66-W77 AromaticContact CE2-CZ2 3.47Å; F66-W77 HydrophobicContact CE2-CZ2 3.47Å; F66-W77 VanDerWaalsContact CE2-CZ2 3.47Å; F66-W77 AromaticContact CG-CZ2 3.81Å; F66-W77 HydrophobicContact CG-CZ2 3.81Å; F66-W77 HydrophobicContact CZ-CH2 4.09Å; F66-W77 AromaticContact CZ-CZ2 3.95Å; F66-W77 HydrophobicContact CZ-CZ2 3.95Å
67K83.3Confident87Confident151 Ų15171.5 Ų71.566%0.65739%0.393SS*.  trans-122.5154.4172.1-63.9179.4-177.5177.70110.2G69 D70K67-G69 PolarHBondContact O-N 2.97Å; K67-D70 PolarHBondContact N-OD2 3.41Å; K67-D70 WeakPolarHBondContact O-CB 3.46Å; K67-D70 PolarHBondContact O-N 2.65Å
68E74.8Confident87Confident185 Ų18569 Ų6986%0.86438%0.382SS*.THydrogen-bonded Turntrans-65.1117.9178.3-163.1144.9-134.700109.9
69G74.5Confident86.8Confident80 Ų8071.2 Ų71.283%0.82539%0.394SS*.THydrogen-bonded Turntrans113.4-18.6-169.800000114.3K67K67-G69 PolarHBondContact O-N 2.97Å
70D82.7Confident86.7Confident87 Ų8775.5 Ų75.547%0.46541%0.41SS..SBendtrans-71.6154.9173.3-65.6-21000111.1F66 K67 A72F66-D70 HydrophobicContact CD2-CB 3.74Å; F66-D70 HydrophobicContact CE2-CB 3.64Å; F66-D70 WeakPolarHBondContact CE2-O 3.32Å; K67-D70 PolarHBondContact N-OD2 3.41Å; K67-D70 WeakPolarHBondContact O-CB 3.46Å; K67-D70 PolarHBondContact O-N 2.65Å; D70-A72 PolarHBondContact O-N 3.24Å
71K83.6Confident86.8Confident179 Ų17975.4 Ų75.478%0.77841%0.409SS*.PPolyproline II helixtrans-60.3125.2173.4-173.9-177.9177.6-171.80109.9E73K71-E73 PolarHBondContact O-N 2.98Å
72A84.4Confident87Confident41 Ų4176.7 Ų76.734%0.33941%0.405SS..PPolyproline II helixtrans-72.6129.1179.800000111.7D70 W77D70-A72 PolarHBondContact O-N 3.24Å; A72-W77 HydrophobicContact CB-CH2 3.57Å; A72-W77 HydrophobicContact CB-CZ2 4.15Å; A72-W77 HydrophobicContact CB-CZ3 4.42Å
73E87.9Confident87Confident87 Ų8777.8 Ų77.841%0.40742%0.416SS..  trans-130.877.6178.1-64-165.8155.400111.9K71 A75 T76 W77K71-E73 PolarHBondContact O-N 2.98Å; E73-A75 VanDerWaalsContact C-N 3.28Å; E73-A75 PolarHBondContact O-N 2.71Å; E73-T76 WeakPolarHBondContact O-CB 3.21Å; E73-T76 PolarHBondContact O-N 2.91Å; E73-T76 VanDerWaalsContact O-N 3.1Å; E73-T76 PolarHBondContact OE2-OG1 2.94Å; E73-W77 PolarHBondContact O-N 2.87Å; E73-W77 VanDerWaalsContact O-N 3.09Å
74P88.5Confident87.3Confident18 Ų1873.5 Ų73.512%0.11740%0.403CS..Hα-helixtrans-56.4-37.9-176.4-28.136.6000114.4Q49 A53 W77 K78Q49-P74 HydrophobicContact CG-CG 3.5Å; A53-P74 HydrophobicContact CB-CB 3.82Å; A53-P74 HydrophobicContact CB-CG 4.26Å; P74-W77 HydrophobicContact CG-CZ3 4.35Å; P74-W77 PolarHBondContact O-N 3.16Å; P74-K78 WeakPolarHBondContact O-CB 3.34Å; P74-K78 PolarHBondContact O-N 3.48Å
75A87.3Confident87.6Confident68 Ų6871 Ų7156%0.56238%0.377SS*.Hα-helixtrans-64.1-41.3178.400000112.2E73 T79E73-A75 VanDerWaalsContact C-N 3.28Å; E73-A75 PolarHBondContact O-N 2.71Å; A75-T79 WeakPolarHBondContact O-CB 3.17Å; A75-T79 PolarHBondContact O-N 3.27Å; A75-T79 PolarHBondContact O-OG1 3.45Å
76T89.1Confident88Confident44 Ų4469.4 Ų69.427%0.2737%0.374SS..Hα-helixtrans-64.1-46.1176.1-55.80000110.5E73 T79 R80E73-T76 WeakPolarHBondContact O-CB 3.21Å; E73-T76 PolarHBondContact O-N 2.91Å; E73-T76 VanDerWaalsContact O-N 3.1Å; E73-T76 PolarHBondContact OE2-OG1 2.94Å; T76-T79 PolarHBondContact O-N 3.1Å; T76-R80 WeakPolarHBondContact O-CG 3.49Å; T76-R80 PolarHBondContact O-N 3.38Å
77W93.8Very high88.1Confident8 Ų877.4 Ų77.43%0.0341%0.409CS..Hα-helixtrans-63.1-46.4179.3-56-23.9000112.5A53 F56 K57 A60 F66 A72 E73 P74 T79 R80 L81A53-W77 HydrophobicContact CB-CE3 4.48Å; F56-W77 HydrophobicContact CB-CB 3.78Å; K57-W77 HydrophobicContact CB-CD2 4.44Å; K57-W77 HydrophobicContact CB-CE3 3.68Å; K57-W77 HydrophobicContact CB-CH2 4.36Å; K57-W77 HydrophobicContact CB-CZ3 3.64Å; K57-W77 HydrophobicContact CD-CH2 4.31Å; K57-W77 HydrophobicContact CD-CZ3 4.15Å; K57-W77 HydrophobicContact CG-CE3 4.17Å; K57-W77 HydrophobicContact CG-CH2 3.96Å; K57-W77 HydrophobicContact CG-CZ3 3.73Å; A60-W77 HydrophobicContact CB-CB 4.4Å; A60-W77 VanDerWaalsContact CB-CD1 3.46Å; A60-W77 HydrophobicContact CB-CD2 4.37Å; A60-W77 HydrophobicContact CB-CG 3.83Å; F66-W77 HydrophobicContact CD1-CZ2 4.24Å; F66-W77 HydrophobicContact CD2-CH2 4.35Å; F66-W77 AromaticContact CD2-CZ2 3.42Å; F66-W77 HydrophobicContact CD2-CZ2 3.42Å; F66-W77 VanDerWaalsContact CD2-CZ2 3.42Å; F66-W77 HydrophobicContact CE1-CH2 4.44Å; F66-W77 HydrophobicContact CE1-CZ2 4.32Å; F66-W77 HydrophobicContact CE2-CH2 4.03Å; F66-W77 AromaticContact CE2-CZ2 3.47Å; F66-W77 HydrophobicContact CE2-CZ2 3.47Å; F66-W77 VanDerWaalsContact CE2-CZ2 3.47Å; F66-W77 AromaticContact CG-CZ2 3.81Å; F66-W77 HydrophobicContact CG-CZ2 3.81Å; F66-W77 HydrophobicContact CZ-CH2 4.09Å; F66-W77 AromaticContact CZ-CZ2 3.95Å; F66-W77 HydrophobicContact CZ-CZ2 3.95Å; A72-W77 HydrophobicContact CB-CH2 3.57Å; A72-W77 HydrophobicContact CB-CZ2 4.15Å; A72-W77 HydrophobicContact CB-CZ3 4.42Å; E73-W77 PolarHBondContact O-N 2.87Å; E73-W77 VanDerWaalsContact O-N 3.09Å; P74-W77 HydrophobicContact CG-CZ3 4.35Å; P74-W77 PolarHBondContact O-N 3.16Å; W77-T79 VanDerWaalsContact C-N 3.32Å; W77-T79 PolarHBondContact O-N 3.02Å; W77-R80 PolarHBondContact O-N 3.38Å; W77-L81 PolarHBondContact O-N 3.11Å
78K93.2Very high88.4Confident29 Ų2971.1 Ų71.113%0.12638%0.384CS..Hα-helixtrans-59.8-43177-174.8174.1-173.71780111.5W39 K40 F56 P74 L81 R82W39-K78 HydrophobicContact CZ2-CG 4.29Å; W39-K78 VanDerWaalsContact NE1-CE 3.26Å; W39-K78 PolarHBondContact O-NZ 3.38Å; K40-K78 PolarHBondContact O-NZ 2.98Å; F56-K78 HydrophobicContact CD1-CB 4.17Å; F56-K78 HydrophobicContact CD1-CG 4.22Å; F56-K78 HydrophobicContact CD2-CB 4.03Å; F56-K78 HydrophobicContact CD2-CG 4.2Å; F56-K78 HydrophobicContact CE1-CB 4.41Å; F56-K78 HydrophobicContact CE1-CG 3.95Å; F56-K78 HydrophobicContact CE2-CB 4.32Å; F56-K78 HydrophobicContact CE2-CD 4.07Å; F56-K78 HydrophobicContact CE2-CG 3.97Å; F56-K78 HydrophobicContact CG-CB 4Å; F56-K78 HydrophobicContact CG-CG 4.37Å; F56-K78 HydrophobicContact CZ-CD 4.21Å; F56-K78 HydrophobicContact CZ-CG 3.84Å; P74-K78 WeakPolarHBondContact O-CB 3.34Å; P74-K78 PolarHBondContact O-N 3.48Å; K78-L81 PolarHBondContact O-N 3.4Å; K78-R82 WeakPolarHBondContact O-CB 3.23Å; K78-R82 PolarHBondContact O-N 3.4Å
79T89.9Confident89.1Confident64 Ų6466 Ų6639%0.39337%0.367SS..Hα-helixtrans-62.3-44.7177.1-63.70000111.8A75 T76 W77 R82 C83A75-T79 WeakPolarHBondContact O-CB 3.17Å; A75-T79 PolarHBondContact O-N 3.27Å; A75-T79 PolarHBondContact O-OG1 3.45Å; T76-T79 PolarHBondContact O-N 3.1Å; W77-T79 VanDerWaalsContact C-N 3.32Å; W77-T79 PolarHBondContact O-N 3.02Å; T79-R82 PolarHBondContact O-N 2.85Å; T79-C83 PolarHBondContact O-N 3.07Å; T79-C83 PolarHBondContact O-SG 2.92Å; T79-C83 VanDerWaalsContact O-SG 3.34Å
80R91.7Very high89.9Confident109 Ų10962.7 Ų62.741%0.41133%0.33SS..Hα-helixtrans-62.5-44.8178.8-74.5176.1178.7165.81.5112.6K65 T76 W77 C83 A84K65-R80 VanDerWaalsContact CB-NH1 3.34Å; T76-R80 WeakPolarHBondContact O-CG 3.49Å; T76-R80 PolarHBondContact O-N 3.38Å; W77-R80 PolarHBondContact O-N 3.38Å; R80-C83 PolarHBondContact O-N 2.9Å; R80-A84 WeakPolarHBondContact O-CB 3.47Å; R80-A84 PolarHBondContact O-N 3.32Å
81L94Very high90.5Very high0 Ų059.3 Ų59.30%031%0.312CS..Hα-helixtrans-65.8-43.1177.4-17659000111.4L9 F56 W59 W77 K78 C83 A84 L85L9-L81 HydrophobicContact CD1-CD1 3.79Å; F56-L81 HydrophobicContact CD1-CB 3.99Å; F56-L81 HydrophobicContact CD1-CD2 3.55Å; F56-L81 HydrophobicContact CD1-CG 4.34Å; F56-L81 HydrophobicContact CE1-CD2 3.83Å; W59-L81 HydrophobicContact CB-CD1 4.25Å; W59-L81 HydrophobicContact CD2-CD1 3.89Å; W59-L81 HydrophobicContact CG-CB 4.25Å; W59-L81 HydrophobicContact CG-CD1 3.73Å; W59-L81 HydrophobicContact CG-CG 4.44Å; W77-L81 PolarHBondContact O-N 3.11Å; K78-L81 PolarHBondContact O-N 3.4Å; L81-C83 VanDerWaalsContact C-N 3.35Å; L81-C83 PolarHBondContact O-N 3.37Å; L81-A84 WeakPolarHBondContact O-CB 3.22Å; L81-A84 PolarHBondContact O-N 3.32Å; L81-A84 VanDerWaalsContact O-N 3.13Å; L81-L85 HydrophobicContact CD1-CD1 4.47Å; L81-L85 HydrophobicContact CD1-CG 4.39Å; L81-L85 HydrophobicContact CG-CD1 4.08Å; L81-L85 HydrophobicContact CG-CG 4.48Å; L81-L85 WeakPolarHBondContact O-CG 3.36Å; L81-L85 PolarHBondContact O-N 2.82Å
82R94Very high91Very high106 Ų10654.9 Ų54.940%0.429%0.293SS..Hα-helixtrans-55.1-48.8175.1179.9-177.859.6147.6-4111.9W39 K78 T79 A84 L85 N86W39-R82 HydrophobicContact CH2-CB 3.93Å; W39-R82 HydrophobicContact CH2-CG 4.34Å; W39-R82 HydrophobicContact CZ2-CB 4.07Å; W39-R82 HydrophobicContact CZ2-CG 4.19Å; K78-R82 WeakPolarHBondContact O-CB 3.23Å; K78-R82 PolarHBondContact O-N 3.4Å; T79-R82 PolarHBondContact O-N 2.85Å; R82-A84 VanDerWaalsContact C-N 3.3Å; R82-A84 PolarHBondContact O-N 3.34Å; R82-L85 PolarHBondContact O-N 3.38Å; R82-N86 WeakPolarHBondContact O-CB 2.99Å; R82-N86 PolarHBondContact O-N 3.48Å; R82-N86 PolarHBondContact O-OD1 2.95Å
83C90.8Very high91.5Very high56 Ų5655.5 Ų55.538%0.37829%0.29SS..Hα-helixtrans-63.6-37.2178.5-69.20000112T79 R80 L81 K87T79-C83 PolarHBondContact O-N 3.07Å; T79-C83 PolarHBondContact O-SG 2.92Å; T79-C83 VanDerWaalsContact O-SG 3.34Å; R80-C83 PolarHBondContact O-N 2.9Å; L81-C83 VanDerWaalsContact C-N 3.35Å; L81-C83 PolarHBondContact O-N 3.37Å; C83-K87 WeakPolarHBondContact O-CB 3.28Å; C83-K87 WeakPolarHBondContact O-CG 3.4Å; C83-K87 PolarHBondContact O-N 2.9Å
84A92.9Very high91.9Very high27 Ų2752.1 Ų52.122%0.22328%0.275CS..Hα-helixtrans-66.3-41.9177.600000111.9L9 W59 R80 L81 R82 S88L9-A84 VanDerWaalsContact CD2-C 3.45Å; L9-A84 HydrophobicContact CD2-CB 3.77Å; L9-A84 WeakPolarHBondContact CD2-O 3.44Å; W59-A84 HydrophobicContact CZ2-CB 4.01Å; R80-A84 WeakPolarHBondContact O-CB 3.47Å; R80-A84 PolarHBondContact O-N 3.32Å; L81-A84 WeakPolarHBondContact O-CB 3.22Å; L81-A84 PolarHBondContact O-N 3.32Å; L81-A84 VanDerWaalsContact O-N 3.13Å; R82-A84 VanDerWaalsContact C-N 3.3Å; R82-A84 PolarHBondContact O-N 3.34Å; A84-S88 WeakPolarHBondContact O-CB 3.47Å; A84-S88 PolarHBondContact O-N 3.46Å
85L94.1Very high92Very high2 Ų255.2 Ų55.21%0.0129%0.293CS..Hα-helixtrans-62.8-49.1174.4-70.1165.1000111.2L9 L13 I37 L81 R82 K87 S88 F91 Y109L9-L85 HydrophobicContact CD2-CD2 4.14Å; L9-L85 HydrophobicContact CD2-CG 4.4Å; L13-L85 HydrophobicContact CD2-CD2 3.86Å; I37-L85 HydrophobicContact CD1-CD1 3.6Å; L81-L85 HydrophobicContact CD1-CD1 4.47Å; L81-L85 HydrophobicContact CD1-CG 4.39Å; L81-L85 HydrophobicContact CG-CD1 4.08Å; L81-L85 HydrophobicContact CG-CG 4.48Å; L81-L85 WeakPolarHBondContact O-CG 3.36Å; L81-L85 PolarHBondContact O-N 2.82Å; R82-L85 PolarHBondContact O-N 3.38Å; L85-K87 VanDerWaalsContact C-N 3.32Å; L85-K87 PolarHBondContact O-N 3.08Å; L85-S88 PolarHBondContact O-N 3.17Å; L85-F91 HydrophobicContact CD2-CD1 4.47Å; L85-F91 HydrophobicContact CD2-CD2 3.82Å; L85-F91 HydrophobicContact CD2-CE2 3.99Å; L85-F91 HydrophobicContact CD2-CG 4.04Å; L85-F91 HydrophobicContact CD2-CZ 4.31Å; L85-Y109 HydrophobicContact CB-CE1 4.11Å; L85-Y109 HydrophobicContact CD1-CE1 4.16Å; L85-Y109 HydrophobicContact CD1-CE2 4.07Å
86N90.4Very high92.1Very high100 Ų10059.5 Ų59.554%0.53530%0.302SS..Hα-helixtrans-67.5-28.8-176.3-72.34.3000114.2R82R82-N86 WeakPolarHBondContact O-CB 2.99Å; R82-N86 PolarHBondContact O-N 3.48Å; R82-N86 PolarHBondContact O-OD1 2.95Å
87K88.9Confident92.1Very high185 Ų18563.6 Ų63.680%0.80431%0.312SS*.Hα-helixtrans-86.7-14177.9-72.1-175.6177.1-168.60113C83 L85C83-K87 WeakPolarHBondContact O-CB 3.28Å; C83-K87 WeakPolarHBondContact O-CG 3.4Å; C83-K87 PolarHBondContact O-N 2.9Å; L85-K87 VanDerWaalsContact C-N 3.32Å; L85-K87 PolarHBondContact O-N 3.08Å
88S90.6Very high91.9Very high19 Ų1964.3 Ų64.313%0.13332%0.319CS..  trans-85.9126.2-173.9179.80000110.4A84 L85 D90 F91A84-S88 WeakPolarHBondContact O-CB 3.47Å; A84-S88 PolarHBondContact O-N 3.46Å; L85-S88 PolarHBondContact O-N 3.17Å; S88-D90 PolarHBondContact O-N 3.25Å; S88-D90 WeakPolarHBondContact OG-CB 3.39Å; S88-D90 PolarHBondContact OG-N 2.74Å; S88-F91 PolarHBondContact O-N 2.83Å
89P88.3Confident91.7Very high76 Ų7666.5 Ų66.549%0.49433%0.329SS..THydrogen-bonded Turntrans-67-18.1175.729.8-35.6000112.2F91 V112 Q117P89-F91 PolarHBondContact O-N 2.89Å; P89-V112 WeakPolarHBondContact O-CB 3.17Å; P89-Q117 HydrophobicContact CB-CB 4.39Å; P89-Q117 HydrophobicContact CB-CG 4.43Å
90D91.9Very high91.6Very high11 Ų1166.4 Ų66.46%0.05933%0.326CS..THydrogen-bonded Turntrans-67.1-14.9177.9-72-50.9000114.7K10 S88 I111 V112 Q117K10-D90 HydrophobicContact CB-CB 4.07Å; K10-D90 HydrophobicContact CD-CB 3.84Å; K10-D90 VanDerWaalsContact CD-CG 3.47Å; K10-D90 VanDerWaalsContact CD-OD1 3.27Å; K10-D90 WeakPolarHBondContact CD-OD1 3.26Å; K10-D90 HydrophobicContact CG-CB 4.36Å; K10-D90 IonicContact NZ-OD1 3.63Å; S88-D90 PolarHBondContact O-N 3.25Å; S88-D90 WeakPolarHBondContact OG-CB 3.39Å; S88-D90 PolarHBondContact OG-N 2.74Å; D90-I111 WeakPolarHBondContact O-CA 3.37Å; D90-V112 PolarHBondContact O-N 3.49Å; D90-Q117 PolarHBondContact OD1-NE2 3.07Å
91F95Very high91Very high17 Ų1765 Ų658%0.07533%0.327CS..EExtended strand (participates in β ladder)trans-133139.5-171.3-58-71.6000112.9L9 K10 L13 F35 L85 S88 P89 R110 I111L9-F91 HydrophobicContact CB-CE2 4.42Å; L9-F91 HydrophobicContact CD2-CD2 4.15Å; L9-F91 HydrophobicContact CD2-CE2 3.7Å; L9-F91 HydrophobicContact CG-CE2 3.72Å; L9-F91 HydrophobicContact CG-CZ 4.38Å; K10-F91 HydrophobicContact CB-CE2 4.35Å; K10-F91 HydrophobicContact CB-CZ 4.1Å; L13-F91 HydrophobicContact CB-CZ 4.43Å; L13-F91 HydrophobicContact CD2-CE1 3.97Å; L13-F91 HydrophobicContact CD2-CZ 3.75Å; F35-F91 AromaticContact CE1-CD1 3.76Å; F35-F91 HydrophobicContact CE1-CD1 3.76Å; F35-F91 AromaticContact CE1-CE1 3.58Å; F35-F91 HydrophobicContact CE1-CE1 3.58Å; F35-F91 AromaticContact CZ-CD1 3.8Å; F35-F91 HydrophobicContact CZ-CD1 3.8Å; F35-F91 AromaticContact CZ-CE1 3.59Å; F35-F91 HydrophobicContact CZ-CE1 3.59Å; F35-F91 HydrophobicContact CZ-CZ 4.5Å; L85-F91 HydrophobicContact CD2-CD1 4.47Å; L85-F91 HydrophobicContact CD2-CD2 3.82Å; L85-F91 HydrophobicContact CD2-CE2 3.99Å; L85-F91 HydrophobicContact CD2-CG 4.04Å; L85-F91 HydrophobicContact CD2-CZ 4.31Å; S88-F91 PolarHBondContact O-N 2.83Å; P89-F91 PolarHBondContact O-N 2.89Å; F91-R110 WeakPolarHBondContact CA-O 3.42Å; F91-I111 HydrophobicContact CD1-CG1 4.37Å; F91-I111 HydrophobicContact CE1-CG1 4.22Å
92E94.2Very high90.4Very high85 Ų8568 Ų6840%0.39734%0.342SS..EExtended strand (participates in β ladder)trans-124.5128.9169.7-173.1-178.2128.800109.4V94 Y109 R110 V112E92-V94 PolarHBondContact O-N 2.91Å; E92-Y109 CarbonylContact O-C 3.59Å; E92-Y109 VanDerWaalsContact O-CA 3.28Å; E92-Y109 WeakPolarHBondContact O-CA 3.42Å; E92-R110 VanDerWaalsContact CD-NH1 3.26Å; E92-R110 VanDerWaalsContact CD-NH2 3.26Å; E92-R110 PolarHBondContact N-O 3.21Å; E92-R110 PolarHBondContact O-N 2.88Å; E92-R110 IonicContact OE1-CZ 3.63Å; E92-R110 IonicContact OE1-NH1 2.65Å; E92-R110 PolarHBondContact OE1-NH1 3.31Å; E92-R110 IonicContact OE1-NH2 3.76Å; E92-R110 PolarHBondContact OE1-NH2 3.38Å; E92-R110 IonicContact OE2-CZ 3.94Å; E92-R110 IonicContact OE2-NH1 3.49Å; E92-R110 PolarHBondContact OE2-NH1 2.65Å; E92-R110 IonicContact OE2-NH2 3.54Å; E92-R110 PolarHBondContact OE2-NH2 3.5Å; E92-V112 HydrophobicContact CB-CG2 3.92Å
93E95.5Very high89.9Confident55 Ų5566 Ų6626%0.25734%0.344SS..EExtended strand (participates in β ladder)trans-73.7121.6174.1-173175.4165.500109.7T95 K107 Y109E93-T95 HydrophobicContact CG-CG2 4.01Å; E93-T95 PolarHBondContact O-N 2.97Å; E93-K107 WeakPolarHBondContact OE1-CE 3.32Å; E93-K107 IonicContact OE1-NZ 3.54Å; E93-K107 PolarHBondContact OE1-NZ 2.92Å; E93-K107 IonicContact OE2-NZ 2.86Å; E93-K107 PolarHBondContact OE2-NZ 3.37Å; E93-Y109 HydrophobicContact CB-CD1 3.98Å; E93-Y109 HydrophobicContact CB-CE1 3.79Å; E93-Y109 HydrophobicContact CG-CD1 4.41Å; E93-Y109 HydrophobicContact CG-CE1 4.03Å
94V95.3Very high89.6Confident15 Ų1568.2 Ų68.29%0.09135%0.349CS..  trans-93.487.1175.5-172.20000107.8E92 E96 R97 S98 V108 R110E92-V94 PolarHBondContact O-N 2.91Å; V94-E96 VanDerWaalsContact C-N 3.27Å; V94-E96 PolarHBondContact O-N 3.4Å; V94-R97 HydrophobicContact CG1-CB 4Å; V94-R97 HydrophobicContact CG1-CG 3.84Å; V94-R97 PolarHBondContact O-N 3.08Å; V94-S98 PolarHBondContact O-N 3.25Å; V94-S98 PolarHBondContact O-OG 3.35Å; V94-V108 HydrophobicContact CB-CB 4.43Å; V94-V108 HydrophobicContact CB-CG1 4.19Å; V94-V108 PolarHBondContact N-O 2.65Å; V94-R110 HydrophobicContact CG2-CB 3.76Å
95T90.4Very high89.6Confident83 Ų8367 Ų6751%0.50934%0.339SS..G310 helixtrans-66-30.5-170.765.10000112.8E93 R97 S98E93-T95 HydrophobicContact CG-CG2 4.01Å; E93-T95 PolarHBondContact O-N 2.97Å; T95-R97 VanDerWaalsContact C-N 3.25Å; T95-R97 PolarHBondContact O-N 2.82Å; T95-S98 WeakPolarHBondContact O-CB 3.35Å; T95-S98 PolarHBondContact O-N 2.89Å
96E89.4Confident89.7Confident159 Ų15968.1 Ų68.174%0.74334%0.343SS*.G310 helixtrans-66.6-28.9-179.6-56.772.7-155.600111.8V94V94-E96 VanDerWaalsContact C-N 3.27Å; V94-E96 PolarHBondContact O-N 3.4Å
97R89Confident90Very high130 Ų13064.5 Ų64.549%0.49132%0.323SS..G310 helixtrans-95.6-11.1178.1-65.3-169.5173.4-150.4-1.3113.4V94 T95 Y106 V108V94-R97 HydrophobicContact CG1-CB 4Å; V94-R97 HydrophobicContact CG1-CG 3.84Å; V94-R97 PolarHBondContact O-N 3.08Å; T95-R97 VanDerWaalsContact C-N 3.25Å; T95-R97 PolarHBondContact O-N 2.82Å; R97-Y106 WeakPolarHBondContact O-CE2 3.29Å; R97-V108 HydrophobicContact CB-CB 3.98Å; R97-V108 HydrophobicContact CB-CG1 4.13Å; R97-V108 HydrophobicContact CB-CG2 3.9Å; R97-V108 VanDerWaalsContact O-CG2 3.31Å; R97-V108 WeakPolarHBondContact O-CG2 3.04Å
98S91.3Very high90.4Very high23 Ų2355.7 Ų55.716%0.16128%0.284CS..  trans-74137178.6-64.30000111.2V94 T95 V108V94-S98 PolarHBondContact O-N 3.25Å; V94-S98 PolarHBondContact O-OG 3.35Å; T95-S98 WeakPolarHBondContact O-CB 3.35Å; T95-S98 PolarHBondContact O-N 2.89Å; S98-V108 PolarHBondContact OG-N 2.88Å
99Q87.8Confident90.7Very high74 Ų7454.9 Ų54.935%0.34628%0.278SS..BIsolated β-bridgetrans-124.293.4-179-61.1-168.119.600110.4I102 P105 Y106Q99-I102 HydrophobicContact CB-CD1 3.89Å; Q99-I102 HydrophobicContact CB-CG1 4.03Å; Q99-I102 HydrophobicContact CB-CG2 4.37Å; Q99-P105 CarbonylContact O-C 3.56Å; Q99-P105 WeakPolarHBondContact O-CA 3.47Å; Q99-P105 WeakPolarHBondContact O-CB 3.41Å; Q99-Y106 CarbonylContact C-O 3.52Å; Q99-Y106 HydrophobicContact CB-CD1 4.28Å; Q99-Y106 HydrophobicContact CB-CE1 3.8Å; Q99-Y106 HydrophobicContact CB-CE2 4.17Å; Q99-Y106 HydrophobicContact CG-CE1 4.12Å; Q99-Y106 HydrophobicContact CG-CE2 4.1Å; Q99-Y106 WeakPolarHBondContact CG-OH 3.47Å; Q99-Y106 PolarHBondContact N-O 3.42Å; Q99-Y106 PolarHBondContact NE2-OH 3.4Å; Q99-Y106 PolarHBondContact O-N 3.42Å
100L88.6Confident91.1Very high63 Ų6354.4 Ų54.433%0.3327%0.267SS..  trans-91.7-16-178.4-63.7179.2000114.3W39 P105 K107W39-L100 HydrophobicContact CB-CD2 3.78Å; W39-L100 HydrophobicContact CG-CD2 3.96Å; L100-P105 WeakPolarHBondContact O-CB 3.42Å; L100-K107 HydrophobicContact CD2-CG 3.79Å
101D78.6Confident91.2Very high79 Ų7954.9 Ų54.942%0.42227%0.269SS..SBendtrans-100.110.1-172.6-67-47.3000113.4R304D101-R304 VanDerWaalsContact CG-NH2 3.35Å; D101-R304 IonicContact OD1-CZ 3.38Å; D101-R304 IonicContact OD1-NH2 3.5Å; D101-R304 PolarHBondContact OD1-NH2 3.4Å; D101-R304 IonicContact OD2-NH2 3.98Å; D101-R304 PolarHBondContact OD2-NH2 3.03Å
102I81.8Confident91Very high62 Ų6254.6 Ų54.632%0.31827%0.269SS..SBendtrans-96.7175.8177.962166.5000112.2K44 Q99 E104 Y106K44-I102 PolarHBondContact NZ-O 2.8Å; K44-I102 VanDerWaalsContact NZ-O 3.16Å; Q99-I102 HydrophobicContact CB-CD1 3.89Å; Q99-I102 HydrophobicContact CB-CG1 4.03Å; Q99-I102 HydrophobicContact CB-CG2 4.37Å; I102-E104 WeakPolarHBondContact CD1-O 3.34Å; I102-E104 WeakPolarHBondContact CG1-O 3.49Å; I102-Y106 HydrophobicContact CD1-CD1 3.82Å; I102-Y106 HydrophobicContact CD1-CE1 3.56Å
103S82.3Confident90.7Very high65 Ų6553.6 Ų53.646%0.45527%0.269SS..SBendtrans-61.9-44.8179.854.60000112.2P105S103-P105 VanDerWaalsContact C-CD 3.45Å; S103-P105 WeakPolarHBondContact O-CD 3.42Å
104E86.1Confident90Very high102 Ų10257.8 Ų57.848%0.47729%0.289SS..SBendtrans-109.276.2175.5-64.4-53.613600109.2K40 I102K40-E104 IonicContact NZ-OE1 3.17Å; I102-E104 WeakPolarHBondContact CD1-O 3.34Å; I102-E104 WeakPolarHBondContact CG1-O 3.49Å
105P92.2Very high89.3Confident1 Ų165.4 Ų65.41%0.00632%0.324CS..  trans-67.2147.4-172.730.1-37000111P38 W39 K40 Q99 L100 S103P38-P105 CarbonylContact C-O 3.55Å; P38-P105 WeakPolarHBondContact CA-O 3.32Å; W39-P105 PolarHBondContact N-O 2.87Å; K40-P105 HydrophobicContact CB-CG 4.08Å; K40-P105 HydrophobicContact CG-CG 4.18Å; Q99-P105 CarbonylContact O-C 3.56Å; Q99-P105 WeakPolarHBondContact O-CA 3.47Å; Q99-P105 WeakPolarHBondContact O-CB 3.41Å; L100-P105 WeakPolarHBondContact O-CB 3.42Å; S103-P105 VanDerWaalsContact C-CD 3.45Å; S103-P105 WeakPolarHBondContact O-CD 3.42Å
106Y96.1Very high89Confident26 Ų2666.6 Ų66.610%0.10232%0.323CS..EExtended strand (participates in β ladder)trans-146.9158179.162.1-97000112.4R36 I37 R97 Q99 I102 V108R36-Y106 HydrophobicContact CB-CD2 3.71Å; R36-Y106 HydrophobicContact CB-CE2 4.36Å; R36-Y106 HydrophobicContact CB-CG 4.18Å; R36-Y106 HydrophobicContact CG-CD2 4.46Å; I37-Y106 CarbonylContact O-C 3.59Å; I37-Y106 WeakPolarHBondContact O-CA 3.48Å; I37-Y106 WeakPolarHBondContact O-CB 3.11Å; R97-Y106 WeakPolarHBondContact O-CE2 3.29Å; Q99-Y106 CarbonylContact C-O 3.52Å; Q99-Y106 HydrophobicContact CB-CD1 4.28Å; Q99-Y106 HydrophobicContact CB-CE1 3.8Å; Q99-Y106 HydrophobicContact CB-CE2 4.17Å; Q99-Y106 HydrophobicContact CG-CE1 4.12Å; Q99-Y106 HydrophobicContact CG-CE2 4.1Å; Q99-Y106 WeakPolarHBondContact CG-OH 3.47Å; Q99-Y106 PolarHBondContact N-O 3.42Å; Q99-Y106 PolarHBondContact NE2-OH 3.4Å; Q99-Y106 PolarHBondContact O-N 3.42Å; I102-Y106 HydrophobicContact CD1-CD1 3.82Å; I102-Y106 HydrophobicContact CD1-CE1 3.56Å; Y106-V108 HydrophobicContact CD2-CG2 3.84Å; Y106-V108 HydrophobicContact CE2-CG2 3.67Å
107K96.9Very high88.4Confident24 Ų2461.1 Ų61.110%0.10430%0.298CS..EExtended strand (participates in β ladder)trans-112.2139.4169.6-72.7-170.1166.1-133.10110.2R36 I37 W39 E93 L100 Y109R36-K107 CarbonylContact C-O 3.48Å; R36-K107 WeakPolarHBondContact CA-O 3.18Å; I37-K107 PolarHBondContact N-O 3.34Å; I37-K107 PolarHBondContact O-N 3.25Å; W39-K107 HydrophobicContact CB-CG 4.2Å; W39-K107 HydrophobicContact CD2-CD 3.65Å; W39-K107 HydrophobicContact CD2-CG 3.9Å; W39-K107 HydrophobicContact CE3-CB 4.38Å; W39-K107 HydrophobicContact CE3-CD 3.96Å; W39-K107 HydrophobicContact CE3-CG 4.19Å; W39-K107 HydrophobicContact CG-CD 4.05Å; W39-K107 HydrophobicContact CG-CG 3.89Å; W39-K107 HydrophobicContact CH2-CD 4.31Å; W39-K107 HydrophobicContact CZ2-CD 4.04Å; W39-K107 HydrophobicContact CZ3-CD 4.27Å; E93-K107 WeakPolarHBondContact OE1-CE 3.32Å; E93-K107 IonicContact OE1-NZ 3.54Å; E93-K107 PolarHBondContact OE1-NZ 2.92Å; E93-K107 IonicContact OE2-NZ 2.86Å; E93-K107 PolarHBondContact OE2-NZ 3.37Å; L100-K107 HydrophobicContact CD2-CG 3.79Å; K107-Y109 HydrophobicContact CB-CD2 4.37Å; K107-Y109 HydrophobicContact CB-CE2 3.61Å; K107-Y109 HydrophobicContact CD-CE2 4.38Å; K107-Y109 WeakPolarHBondContact CD-OH 3.12Å
108V96.9Very high87Confident0 Ų062.8 Ų62.80%031%0.309CS..EExtended strand (participates in β ladder)trans-101.6134.5177.5-178.80000109.6E28 M34 F35 R36 V94 R97 S98 Y106E28-V108 HydrophobicContact CG-CG1 4.35Å; E28-V108 HydrophobicContact CG-CG2 4.38Å; M34-V108 HydrophobicContact CB-CG1 4.44Å; F35-V108 WeakPolarHBondContact O-CA 3.1Å; R36-V108 HydrophobicContact CB-CG2 4.2Å; V94-V108 HydrophobicContact CB-CB 4.43Å; V94-V108 HydrophobicContact CB-CG1 4.19Å; V94-V108 PolarHBondContact N-O 2.65Å; R97-V108 HydrophobicContact CB-CB 3.98Å; R97-V108 HydrophobicContact CB-CG1 4.13Å; R97-V108 HydrophobicContact CB-CG2 3.9Å; R97-V108 VanDerWaalsContact O-CG2 3.31Å; R97-V108 WeakPolarHBondContact O-CG2 3.04Å; S98-V108 PolarHBondContact OG-N 2.88Å; Y106-V108 HydrophobicContact CD2-CG2 3.84Å; Y106-V108 HydrophobicContact CE2-CG2 3.67Å
109Y96.9Very high85.1Confident2 Ų269.4 Ų69.41%0.00834%0.337CS..EExtended strand (participates in β ladder)trans-126139.6175.5-64.4-93.7000109.8M34 F35 I37 L85 E92 E93 K107M34-Y109 VanDerWaalsContact CA-O 3.29Å; M34-Y109 WeakPolarHBondContact CA-O 3.47Å; F35-Y109 HydrophobicContact CE2-CD2 4.2Å; F35-Y109 HydrophobicContact CE2-CG 4.44Å; F35-Y109 HydrophobicContact CZ-CD2 4.45Å; F35-Y109 HydrophobicContact CZ-CG 4.24Å; F35-Y109 PolarHBondContact N-O 3.05Å; F35-Y109 PolarHBondContact O-N 3.31Å; I37-Y109 HydrophobicContact CD1-CD2 3.98Å; I37-Y109 HydrophobicContact CD1-CE2 3.81Å; I37-Y109 HydrophobicContact CG1-CD2 4.14Å; I37-Y109 HydrophobicContact CG1-CE2 4.19Å; L85-Y109 HydrophobicContact CB-CE1 4.11Å; L85-Y109 HydrophobicContact CD1-CE1 4.16Å; L85-Y109 HydrophobicContact CD1-CE2 4.07Å; E92-Y109 CarbonylContact O-C 3.59Å; E92-Y109 VanDerWaalsContact O-CA 3.28Å; E92-Y109 WeakPolarHBondContact O-CA 3.42Å; E93-Y109 HydrophobicContact CB-CD1 3.98Å; E93-Y109 HydrophobicContact CB-CE1 3.79Å; E93-Y109 HydrophobicContact CG-CD1 4.41Å; E93-Y109 HydrophobicContact CG-CE1 4.03Å; K107-Y109 HydrophobicContact CB-CD2 4.37Å; K107-Y109 HydrophobicContact CB-CE2 3.61Å; K107-Y109 HydrophobicContact CD-CE2 4.38Å; K107-Y109 WeakPolarHBondContact CD-OH 3.12Å
110R95.9Very high82.9Confident67 Ų6768.8 Ų68.825%0.25335%0.351SS..EExtended strand (participates in β ladder)trans-96.3137170.4-171.8173.583-113.52.7109.3T33 M34 F91 E92 V94 E116T33-R110 CarbonylContact O-C 3.49Å; T33-R110 WeakPolarHBondContact O-CA 3.43Å; M34-R110 HydrophobicContact CG-CB 4.05Å; M34-R110 HydrophobicContact CG-CG 4.06Å; F91-R110 WeakPolarHBondContact CA-O 3.42Å; E92-R110 VanDerWaalsContact CD-NH1 3.26Å; E92-R110 VanDerWaalsContact CD-NH2 3.26Å; E92-R110 PolarHBondContact N-O 3.21Å; E92-R110 PolarHBondContact O-N 2.88Å; E92-R110 IonicContact OE1-CZ 3.63Å; E92-R110 IonicContact OE1-NH1 2.65Å; E92-R110 PolarHBondContact OE1-NH1 3.31Å; E92-R110 IonicContact OE1-NH2 3.76Å; E92-R110 PolarHBondContact OE1-NH2 3.38Å; E92-R110 IonicContact OE2-CZ 3.94Å; E92-R110 IonicContact OE2-NH1 3.49Å; E92-R110 PolarHBondContact OE2-NH1 2.65Å; E92-R110 IonicContact OE2-NH2 3.54Å; E92-R110 PolarHBondContact OE2-NH2 3.5Å; V94-R110 HydrophobicContact CG2-CB 3.76Å; R110-E116 IonicContact NH2-OE2 3.37Å
111I94.2Very high80.8Confident20 Ų2076.1 Ų76.110%0.10338%0.38CS..EExtended strand (participates in β ladder)trans-80.2117.3169.1-61.1178.2000107.4K10 M14 W27 T33 F35 D90 F91 P113K10-I111 HydrophobicContact CD-CG2 4.35Å; M14-I111 HydrophobicContact CG-CD1 4.18Å; M14-I111 HydrophobicContact SD-CD1 4.11Å; W27-I111 HydrophobicContact CH2-CD1 3.61Å; W27-I111 HydrophobicContact CZ3-CD1 3.71Å; T33-I111 PolarHBondContact O-N 2.8Å; F35-I111 HydrophobicContact CD1-CD1 4.38Å; F35-I111 HydrophobicContact CD1-CG1 4.16Å; F35-I111 HydrophobicContact CE1-CD1 4.42Å; F35-I111 HydrophobicContact CE1-CG1 3.91Å; D90-I111 WeakPolarHBondContact O-CA 3.37Å; F91-I111 HydrophobicContact CD1-CG1 4.37Å; F91-I111 HydrophobicContact CE1-CG1 4.22Å; I111-P113 WeakPolarHBondContact O-CD 3.48Å
112V90.5Very high78.6Confident12 Ų1279.4 Ų79.47%0.07340%0.396CS..PPolyproline II helixtrans-78.8124-180-175.80000108.7P89 D90 E92 E116 Q117P89-V112 WeakPolarHBondContact O-CB 3.17Å; D90-V112 PolarHBondContact O-N 3.49Å; E92-V112 HydrophobicContact CB-CG2 3.92Å; V112-E116 HydrophobicContact CG1-CB 3.57Å; V112-Q117 HydrophobicContact CB-CG 4.2Å; V112-Q117 HydrophobicContact CG1-CG 3.8Å; V112-Q117 PolarHBondContact O-NE2 3.38Å
113P88.1Confident76.6Confident63 Ų6381.8 Ų81.841%0.40942%0.415SS..PPolyproline II helixtrans-60.5147.6172.9-21.232.6000111.6I111 E115 E116 Q117I111-P113 WeakPolarHBondContact O-CD 3.48Å; P113-E115 PolarHBondContact O-N 2.76Å; P113-E115 VanDerWaalsContact O-N 3.07Å; P113-E116 PolarHBondContact O-N 2.95Å; P113-Q117 WeakPolarHBondContact O-CG 3.31Å; P113-Q117 PolarHBondContact O-N 3Å
114E82.2Confident74.2Confident144 Ų14485.5 Ų85.567%0.67344%0.435SS*.THydrogen-bonded Turntrans-58-28.2-174.7-168.7170-177.600113.5E116 Q117E114-E116 VanDerWaalsContact C-N 3.34Å; E114-E116 PolarHBondContact O-N 2.95Å; E114-Q117 PolarHBondContact O-N 3.06Å
115E80.6Confident71.8Confident175 Ų17588.2 Ų88.282%0.81845%0.451SS*.THydrogen-bonded Turntrans-65.3-34.3175.9-56.9-172.2-163.700113P113P113-E115 PolarHBondContact O-N 2.76Å; P113-E115 VanDerWaalsContact O-N 3.07Å
116E83.4Confident68.9Low107 Ų10793.6 Ų93.650%0.548%0.484SS..THydrogen-bonded Turntrans-83.4-18.9179.2-69.4176.8-154.700112.3R110 V112 P113 E114 K118R110-E116 IonicContact NH2-OE2 3.37Å; V112-E116 HydrophobicContact CG1-CB 3.57Å; P113-E116 PolarHBondContact O-N 2.95Å; E114-E116 VanDerWaalsContact C-N 3.34Å; E114-E116 PolarHBondContact O-N 2.95Å; E116-K118 VanDerWaalsContact C-N 3.29Å; E116-K118 PolarHBondContact O-N 3.05Å
117Q77.6Confident65.9Low44 Ų44100 Ų10021%0.20652%0.517CS..THydrogen-bonded Turntrans-72.3-18-175.6-64.4-179.71500113.9P89 D90 V112 P113 E114 H119P89-Q117 HydrophobicContact CB-CB 4.39Å; P89-Q117 HydrophobicContact CB-CG 4.43Å; D90-Q117 PolarHBondContact OD1-NE2 3.07Å; V112-Q117 HydrophobicContact CB-CG 4.2Å; V112-Q117 HydrophobicContact CG1-CG 3.8Å; V112-Q117 PolarHBondContact O-NE2 3.38Å; P113-Q117 WeakPolarHBondContact O-CG 3.31Å; P113-Q117 PolarHBondContact O-N 3Å; E114-Q117 PolarHBondContact O-N 3.06Å; Q117-H119 VanDerWaalsContact C-N 3.31Å; Q117-H119 PolarHBondContact O-N 2.92Å
118K59.6Low62.8Low165 Ų165105.6 Ų105.672%0.71755%0.553SS**THydrogen-bonded Turntrans-79.9-3.8-174.5-68.6-172.2178.7-179.20114.9E116E116-K118 VanDerWaalsContact C-N 3.29Å; E116-K118 PolarHBondContact O-N 3.05Å
119H50Low59.5Low162 Ų162109.1 Ų109.175%0.7559%0.59SS**SBendtrans-112.876.7179.5-5795.2000110.4Q117Q117-H119 VanDerWaalsContact C-N 3.31Å; Q117-H119 PolarHBondContact O-N 2.92Å
120G43.1Very low57.2Low62 Ų62114.6 Ų114.664%0.63963%0.626SS**  trans-58.5137.1173.500000111.9I122G120-I122 PolarHBondContact O-N 3.04Å; G120-I122 VanDerWaalsContact O-N 3.13Å
121K43.4Very low53.9Low216 Ų216118 Ų11894%0.93965%0.654SS**  trans-48.2110.4179.6-62.7172.8179.91770112.1
122I33.3Very low50.7Low149 Ų149121.8 Ų121.876%0.76468%0.682SS**  trans-109.1133.2162.3-61.2178000107.4G120 V124G120-I122 PolarHBondContact O-N 3.04Å; G120-I122 VanDerWaalsContact O-N 3.13Å; I122-V124 PolarHBondContact O-N 3.21Å
123P38.7Very low47.8Very low112 Ų112126.3 Ų126.373%0.72771%0.714SS**  trans-69.8129.8174.123.2-19.6000109.8I125P123-I125 PolarHBondContact O-N 3.31Å
124V31.9Very low44.9Very low142 Ų142127.1 Ų127.186%0.86173%0.734SS**  trans-65116.4-175.4176.80000111I122I122-V124 PolarHBondContact O-N 3.21Å
125I35.3Very low42.3Very low159 Ų159127.8 Ų127.882%0.81574%0.742SS**  trans-123.6142.7156-55.1177.2000107.5P123P123-I125 PolarHBondContact O-N 3.31Å
126T32.4Very low40.4Very low115 Ų115127.1 Ų127.171%0.70674%0.739SS**  trans-69.5140.7-165-4.30000116
127M33.4Very low37.8Very low161 Ų161128.3 Ų128.379%0.79375%0.753SS**  trans78.4133.6144-64.2-57.2179.500124.4
128T31.4Very low35.8Very low140 Ų140133.6 Ų133.686%0.85978%0.783SS**  trans94.9115.7146.364.10000121.6
129G28.1Very low34.8Very low75 Ų75134.2 Ų134.277%0.77379%0.791SS**  trans97148134.100000118.4
130P47.4Very low33.9Very low117 Ų117131.2 Ų131.276%0.7679%0.794SS**  trans-115.9-179.8-140.636.9-22.7000116.4
131T27.5Very low33.2Very low137 Ų137134.6 Ų134.684%0.8481%0.806SS**  trans82.7145.1165.969.40000116.3
132S27.4Very low32.5Very low100 Ų100128.8 Ų128.870%0.69979%0.793SS**  cis-164.3159.5-6.660.60000110.1
133S28.1Very low32.6Very low108 Ų108127.4 Ų127.476%0.75579%0.793SS**  trans58.1124.5138.465.80000123.7
134G28.1Very low32.3Very low79 Ų79127 Ų12781%0.81479%0.789SS**  trans76.9144.9149.100000115.2
135D28.1Very low32.2Very low158 Ų158129.5 Ų129.585%0.84579%0.791SS**  cis-165.4160.319.6-157.1-3.9000108.8
136H39.2Very low32.3Very low161 Ų161129.8 Ų129.875%0.74579%0.793SS**  trans-64.2130.1179-120.2-97.6000111.5
137T29.8Very low32.2Very low132 Ų132132.6 Ų132.681%0.8180%0.798SS**  trans-146.7125.5150.240.70000111.6
138D36.4Very low32.2Very low156 Ų156133.7 Ų133.783%0.83480%0.801SS**  trans-60.3126.6167.1-80.6-48.7000110.4
139M38.3Very low32.2Very low178 Ų178135.4 Ų135.488%0.87780%0.804SS**  trans-122.993.7173.8-161.768.1153.600109.5C141M139-C141 PolarHBondContact O-N 3.17Å
140A30.3Very low32.6Very low98 Ų98139.5 Ų139.581%0.8181%0.807SS**  trans-67.8122.4169.600000109.4S142A140-S142 PolarHBondContact O-N 3.03Å
141C29.2Very low31.6Very low134 Ų134142.1 Ų142.191%0.90581%0.806SS**  trans-83.6113.7-179-147.60000110.1M139M139-C141 PolarHBondContact O-N 3.17Å
142S28.5Very low31.7Very low93 Ų93142.7 Ų142.765%0.6580%0.799SS**  trans-73.1145.8174.7-174.80000111.4A140 T144A140-S142 PolarHBondContact O-N 3.03Å; S142-T144 PolarHBondContact O-N 2.82Å
143P35.9Very low31.9Very low120 Ų120146.2 Ų146.278%0.77980%0.804SS**SBendtrans-94.462.7-164.838-35.4000114
144T30.7Very low31.8Very low103 Ų103148.6 Ų148.663%0.63281%0.809SS**  trans-136.621.3-174.7-17.50000117.2S142S142-T144 PolarHBondContact O-N 2.82Å
145E31Very low31.6Very low195 Ų195148.6 Ų148.691%0.91181%0.809SS**SBendtrans-114.815.7173.5-73.5-174.9155.200114
146I36.8Very low31.4Very low165 Ų165147.2 Ų147.285%0.84681%0.81SS**SBendtrans-108.5-3.5-178.8-48.6177.1000111.8
147E31.7Very low30.6Very low174 Ų174145 Ų14581%0.81381%0.812SS**SBendtrans-1004.6-168.1-144.6163.3-151.100115.3
148E32.8Very low30.7Very low184 Ų184145.7 Ų145.786%0.8681%0.81SS**SBendtrans-11118.1-169.7-132.5-177.7-158.700117.4
149L30.8Very low30Very low176 Ų176147.3 Ų147.392%0.92181%0.812SS**  trans-138.264.2172.3-69.5170.9000112.2
150I36.3Very low29.4Very low162 Ų162143.1 Ų143.183%0.83181%0.806SS**  trans-132.199.4159.4-55.8175.4000107.9
151K27.6Very low29Very low172 Ų172144.3 Ų144.375%0.74881%0.808SS**  trans-166.5105.8149.6-108.5-177.4170.2-113.50108.1
152E28.4Very low29.1Very low148 Ų148142.5 Ų142.569%0.69280%0.795SS**  101137.2121.6-76.9171.4-158.200110.2
153E31.1Very low29Very low174 Ų174146 Ų14681%0.81380%0.801SS**  cis-164.8171.2-15.6-151.2-178.8-178.300106.5
154D27.4Very low28.3Very low159 Ų159149.6 Ų149.685%0.8580%0.8SS**  trans-40.3155.6-179.2-74.5-50.9000119.4
155G23.8Very low27.9Very low79 Ų79156 Ų15681%0.81481%0.813SS**  trans163.689.9156.900000114.7
156C24.1Very low27.7Very low129 Ų129152 Ų15287%0.87281%0.805SS**  trans-82.5130.3164-177.70000110
157S21.5Very low27.1Very low113 Ų113152.3 Ų152.379%0.7980%0.802SS**  trans-159.7136144.1-166.10000112.1
158I32Very low26.7Very low147 Ų147150 Ų15075%0.75481%0.805SS**  trans-70.7132.5170.4-65.1167.1000108.6
159Q22.4Very low26.3Very low190 Ų190145.9 Ų145.989%0.88880%0.797SS**  trans-161.7127.4143-110.6170.620.500111.7
160A25.5Very low25.9Very low91 Ų91145.1 Ų145.175%0.75279%0.791SS**  trans-72.4144165.700000110.1
161S21.6Very low25.4Very low122 Ų122144.1 Ų144.185%0.85379%0.787SS**  trans-178.6162150.8-87.50000111.7
162P31.7Very low25.3Very low96 Ų96140.1 Ų140.162%0.62379%0.786SS**  trans-115.7179.2-136.943.8-36000115.4
163E26.1Very low25.2Very low167 Ų167142.5 Ų142.578%0.7879%0.794SS**  trans72.8130.9155.7-67.8153.7172.400118.8
164Y21.3Very low25.2Very low195 Ų195139.7 Ų139.777%0.76579%0.794SS**  170.3112.7100-139.3-102.9000109.7
165W23.1Very low25.2Very low237 Ų237139.2 Ų139.290%0.89879%0.79SS**  trans-78.3137.3163.4-70.5109.1000108.4Q167W165-Q167 PolarHBondContact O-N 2.75Å; W165-Q167 VanDerWaalsContact O-N 3.12Å
166P25.9Very low25.5Very low113 Ų113143.1 Ų143.173%0.73479%0.787SS**  trans-72.8112.5175.928.4-29.5000109.5
167Q24.9Very low25.7Very low171 Ų171146.2 Ų146.280%0.79979%0.789SS**  trans-71127.9160.5-87.2177.1-46.700109.6W165W165-Q167 PolarHBondContact O-N 2.75Å; W165-Q167 VanDerWaalsContact O-N 3.12Å
168S22.5Very low25.8Very low125 Ų125147.2 Ų147.287%0.87479%0.785SS**  trans-116.6101.7157.125.80000109.1
169S23.6Very low25.8Very low97 Ų97145.8 Ų145.868%0.67879%0.786SS**  trans-87.1148.8159.255.70000108.2
170M23.6Very low26.1Very low161 Ų161144.1 Ų144.179%0.79378%0.78SS**  cis-159.1152.634.1-64.7-174.7-170.100110
171N24.8Very low26.6Very low140 Ų140145.1 Ų145.175%0.74978%0.778SS**  178.8132.2105.2-91.8-20.1000111.4
172A26.2Very low27.5Very low88 Ų88145 Ų14573%0.72778%0.778SS**  trans-74.8128.5174.900000110.7
173F25.5Very low27.6Very low198 Ų198143.2 Ų143.287%0.86878%0.777SS**  trans-136.8110.1148-75.8-75.8000107.7
174S32.9Very low28.1Very low115 Ų115142.9 Ų142.980%0.80478%0.78SS**  trans-75.7119.1161.6-63.80000108.1
175L27Very low29.2Very low149 Ų149140.1 Ų140.178%0.7878%0.783SS**  trans-165.6125.9147.9-130.873.7000110.2
176H29.2Very low30.7Very low162 Ų162131.1 Ų131.175%0.7575%0.753SS**  trans6993.7167.3-59-70.6000118.5D178H176-D178 PolarHBondContact O-N 3.36Å
177Q27.6Very low32.4Very low193 Ų193129.1 Ų129.190%0.90274%0.741SS**  trans-67.5109.6147.5-78.8176.2-14.900108.4
178D25.3Very low34.3Very low135 Ų135121.4 Ų121.472%0.72271%0.708SS**  trans-84123.9148-86.2-30.8000107.4H176 M180H176-D178 PolarHBondContact O-N 3.36Å; D178-M180 PolarHBondContact O-N 2.91Å
179P31.2Very low36.7Very low117 Ų117116 Ų11676%0.7667%0.669SS**  trans-68.8105.1173.527.3-28.8000107.8
180M28.8Very low39.4Very low154 Ų154112 Ų11276%0.75964%0.641SS**  trans-54.5131161.9-78.9-74.499.600108D178 S182D178-M180 PolarHBondContact O-N 2.91Å; M180-S182 PolarHBondContact O-N 2.92Å
181P36.6Very low42.7Very low112 Ų112107 Ų10773%0.72762%0.615SS**  trans-60.6122.5-177.424.9-30.8000106.9G183P181-G183 PolarHBondContact O-N 2.75Å
182S39.8Very low46.1Very low121 Ų121100.3 Ų100.385%0.84658%0.58SS**  trans-56.991.4167.5-480000106.7M180 N184M180-S182 PolarHBondContact O-N 2.92Å; S182-N184 PolarHBondContact O-N 3.04Å; S182-N184 VanDerWaalsContact O-N 3.09Å
183G33.2Very low49.5Very low58 Ų5898.7 Ų98.760%0.59856%0.558SS**  trans-57.4119.5173.200000106.3P181 V185P181-G183 PolarHBondContact O-N 2.75Å; G183-V185 PolarHBondContact O-N 2.93Å
184N37.3Very low53Low159 Ų15989.2 Ų89.285%0.8552%0.516SS*.  trans-46.2104.4170.3-103-7.4000107.4S182 N186S182-N184 PolarHBondContact O-N 3.04Å; S182-N184 VanDerWaalsContact O-N 3.09Å; N184-N186 VanDerWaalsContact C-N 3.27Å; N184-N186 PolarHBondContact O-N 3Å
185V43.4Very low56.1Low137 Ų13784.2 Ų84.283%0.8348%0.481SS*.  trans-67.1100174.1-165.20000104G183 S187G183-V185 PolarHBondContact O-N 2.93Å; V185-S187 VanDerWaalsContact C-N 3.28Å; V185-S187 PolarHBondContact O-N 3.16Å
186N56.3Low59.5Low49 Ų4977.1 Ų77.126%0.26244%0.444SS..  trans-66.791.6-170.5-143.9-4.4000107.5N184 G188 F189 Q394N184-N186 VanDerWaalsContact C-N 3.27Å; N184-N186 PolarHBondContact O-N 3Å; N186-G188 PolarHBondContact O-N 3.33Å; N186-F189 HydrophobicContact CB-CD2 4.14Å; N186-F189 HydrophobicContact CB-CE2 4.01Å; N186-F189 WeakPolarHBondContact O-CD2 3.49Å; N186-F189 PolarHBondContact O-N 2.89Å; N186-Q394 PolarHBondContact OD1-NE2 2.82Å
187S60.1Low62.7Low70 Ų7072 Ų7249%0.4942%0.419SS..G310 helixtrans-63.2-5.2-168.5-176.90000113.9V185 F189 S190V185-S187 VanDerWaalsContact C-N 3.28Å; V185-S187 PolarHBondContact O-N 3.16Å; S187-F189 VanDerWaalsContact C-N 3.34Å; S187-S190 PolarHBondContact O-OG 3.3Å
188G65.1Low66Low10 Ų1062.9 Ų62.910%0.10338%0.376CS..G310 helixtrans-64.2-36.6176.800000112.8N186 S190 Q191 N362N186-G188 PolarHBondContact O-N 3.33Å; G188-S190 PolarHBondContact O-N 3.25Å; G188-Q191 PolarHBondContact O-N 3.26Å; G188-N362 WeakPolarHBondContact CA-ND2 3.07Å; G188-N362 VanDerWaalsContact O-CG 3.24Å; G188-N362 PolarHBondContact O-ND2 3.21Å; G188-N362 PolarHBondContact O-OD1 3.33Å
189F73.6Confident69.2Low12 Ų1258 Ų585%0.05336%0.357CS..G310 helixtrans-76.7-7.5-172.5-59.6-81000114.8N186 S187 A268 Q270 I398 L402N186-F189 HydrophobicContact CB-CD2 4.14Å; N186-F189 HydrophobicContact CB-CE2 4.01Å; N186-F189 WeakPolarHBondContact O-CD2 3.49Å; N186-F189 PolarHBondContact O-N 2.89Å; S187-F189 VanDerWaalsContact C-N 3.34Å; F189-A268 CarbonylContact O-C 3.58Å; F189-A268 WeakPolarHBondContact O-CB 3.22Å; F189-Q270 HydrophobicContact CB-CG 4.17Å; F189-Q270 HydrophobicContact CD1-CG 4.16Å; F189-Q270 HydrophobicContact CD2-CG 3.44Å; F189-Q270 VanDerWaalsContact CD2-CG 3.44Å; F189-Q270 HydrophobicContact CE1-CG 4.37Å; F189-Q270 HydrophobicContact CE2-CG 3.69Å; F189-Q270 HydrophobicContact CG-CB 4.4Å; F189-Q270 HydrophobicContact CG-CG 3.67Å; F189-Q270 HydrophobicContact CZ-CG 4.12Å; F189-I398 HydrophobicContact CE1-CG2 3.49Å; F189-I398 VanDerWaalsContact CE1-CG2 3.49Å; F189-I398 HydrophobicContact CE2-CD1 4.21Å; F189-I398 HydrophobicContact CE2-CG1 4.01Å; F189-I398 HydrophobicContact CE2-CG2 4.38Å; F189-I398 HydrophobicContact CZ-CB 4Å; F189-I398 HydrophobicContact CZ-CD1 4.1Å; F189-I398 HydrophobicContact CZ-CG1 3.7Å; F189-I398 HydrophobicContact CZ-CG2 3.3Å; F189-L402 HydrophobicContact CE1-CD1 3.66Å; F189-L402 HydrophobicContact CZ-CD1 3.83Å
190S80.6Confident72.1Confident12 Ų1254 Ų548%0.08434%0.338CS..G310 helixtrans-90.9-2.3175.654.20000113.2S187 G188 L192S187-S190 PolarHBondContact O-OG 3.3Å; G188-S190 PolarHBondContact O-N 3.25Å; S190-L192 PolarHBondContact O-N 3.26Å
191Q92.5Very high75.2Confident55 Ų5551.8 Ų51.826%0.25732%0.324SS..  trans-80.6118.6-175.5-61.1-171.2-0.300112.5G188 V208 T209 V361G188-Q191 PolarHBondContact O-N 3.26Å; Q191-V208 CarbonylContact C-O 3.57Å; Q191-V208 VanDerWaalsContact CA-O 3.29Å; Q191-V208 WeakPolarHBondContact CA-O 3.44Å; Q191-T209 HydrophobicContact CG-CG2 4.22Å; Q191-V361 HydrophobicContact CB-CB 3.94Å; Q191-V361 HydrophobicContact CB-CG1 4.47Å; Q191-V361 HydrophobicContact CB-CG2 4.26Å; Q191-V361 PolarHBondContact O-N 2.9Å
192L96.1Very high78.1Confident1 Ų150.5 Ų50.51%0.00531%0.31CS..EExtended strand (participates in β ladder)trans-124.7132.2178.4-63.7175.7000110.7S190 V208 V266 A268 I273 I358 T359S190-L192 PolarHBondContact O-N 3.26Å; L192-V208 HydrophobicContact CB-CB 4.23Å; L192-V208 PolarHBondContact N-O 3.12Å; L192-V208 PolarHBondContact O-N 2.76Å; L192-V266 HydrophobicContact CD1-CG1 3.71Å; L192-A268 HydrophobicContact CD1-CB 3.92Å; L192-A268 HydrophobicContact CD2-CB 3.75Å; L192-A268 HydrophobicContact CG-CB 3.82Å; L192-I273 HydrophobicContact CD2-CD1 3.67Å; L192-I273 HydrophobicContact CD2-CG1 3.95Å; L192-I358 HydrophobicContact CB-CG2 4.43Å; L192-I358 HydrophobicContact CD1-CG2 4.25Å; L192-I358 HydrophobicContact CD2-CG2 4Å; L192-I358 HydrophobicContact CG-CG2 4.48Å; L192-T359 WeakPolarHBondContact CA-O 3.2Å
193M97.4Very high80.7Confident53 Ų5346.6 Ų46.626%0.26128%0.279SS..EExtended strand (participates in β ladder)trans-94.3127.2165.4-17963.768.300108.6N205 L207 I358 T359 V361M193-N205 HydrophobicContact SD-CB 4.2Å; M193-L207 HydrophobicContact CE-CB 4.3Å; M193-L207 HydrophobicContact CE-CD1 4.42Å; M193-I358 WeakPolarHBondContact O-CA 3.26Å; M193-T359 PolarHBondContact N-O 3.31Å; M193-T359 PolarHBondContact O-N 2.83Å; M193-V361 HydrophobicContact CB-CG2 3.97Å
194I98.1Very high83.6Confident0 Ų049 Ų490%027%0.271CS..EExtended strand (participates in β ladder)trans-117.6119.3-177.3-62.3176.5000108.7F196 N205 T206 V208 C214 I216 I236 L356 Q357I194-F196 HydrophobicContact CG2-CD2 4.28Å; I194-F196 HydrophobicContact CG2-CE2 3.56Å; I194-F196 HydrophobicContact CG2-CZ 3.79Å; I194-N205 CarbonylContact O-C 3.53Å; I194-N205 WeakPolarHBondContact O-CA 3.3Å; I194-N205 WeakPolarHBondContact O-CB 3.44Å; I194-T206 HydrophobicContact CB-CG2 4.12Å; I194-T206 PolarHBondContact N-O 3.47Å; I194-T206 PolarHBondContact O-N 3.41Å; I194-V208 HydrophobicContact CD1-CG2 3.44Å; I194-V208 VanDerWaalsContact CD1-CG2 3.44Å; I194-V208 HydrophobicContact CG1-CG2 4.19Å; I194-C214 VanDerWaalsContact CD1-SG 3.53Å; I194-I216 HydrophobicContact CD1-CD1 3.83Å; I194-I216 HydrophobicContact CD1-CG1 4.43Å; I194-I216 HydrophobicContact CG2-CD1 4.22Å; I194-I236 HydrophobicContact CD1-CD1 3.45Å; I194-I236 VanDerWaalsContact CD1-CD1 3.45Å; I194-L356 HydrophobicContact CG2-CD1 3.33Å; I194-L356 HydrophobicContact CG2-CG 4.22Å; I194-Q357 WeakPolarHBondContact CA-O 3.46Å
195S98.3Very high86.4Confident10 Ų1045.3 Ų45.37%0.0725%0.251CS..EExtended strand (participates in β ladder)trans-120.2127.3-177.4-62.50000111.1N205 L356 Q357S195-N205 WeakPolarHBondContact OG-CB 3.44Å; S195-L356 WeakPolarHBondContact O-CA 3.42Å; S195-Q357 PolarHBondContact N-O 3.38Å; S195-Q357 PolarHBondContact O-N 2.73Å
196F98.2Very high89Confident0 Ų039.9 Ų39.90%022%0.219CC..EExtended strand (participates in β ladder)trans-103.3130.6-178.2-63.6-96.7000110.6I194 M203 Y204 I216 I236 F238 P239 L356I194-F196 HydrophobicContact CG2-CD2 4.28Å; I194-F196 HydrophobicContact CG2-CE2 3.56Å; I194-F196 HydrophobicContact CG2-CZ 3.79Å; F196-M203 PolarHBondContact O-N 3.05Å; F196-Y204 AromaticContact CD2-CD1 3.77Å; F196-Y204 HydrophobicContact CD2-CD1 3.77Å; F196-Y204 AromaticContact CE2-CD1 3.92Å; F196-Y204 HydrophobicContact CE2-CD1 3.92Å; F196-Y204 HydrophobicContact CE2-CE1 4.4Å; F196-Y204 PolarHBondContact N-O 2.86Å; F196-I216 HydrophobicContact CE1-CG2 3.74Å; F196-I216 HydrophobicContact CZ-CG2 3.71Å; F196-I236 HydrophobicContact CE2-CG2 3.98Å; F196-I236 HydrophobicContact CZ-CG2 3.77Å; F196-F238 AromaticContact CD1-CD1 3.77Å; F196-F238 HydrophobicContact CD1-CD1 3.77Å; F196-F238 HydrophobicContact CD1-CE1 4.16Å; F196-F238 HydrophobicContact CD1-CG 4.4Å; F196-F238 AromaticContact CE1-CD1 3.71Å; F196-F238 HydrophobicContact CE1-CD1 3.71Å; F196-F238 AromaticContact CE1-CE1 3.97Å; F196-F238 HydrophobicContact CE1-CE1 3.97Å; F196-F238 HydrophobicContact CE1-CG 4.04Å; F196-P239 HydrophobicContact CB-CG 3.84Å; F196-P239 HydrophobicContact CG-CG 4.07Å; F196-L356 HydrophobicContact CD1-CD1 3.56Å; F196-L356 HydrophobicContact CD2-CD1 4.18Å; F196-L356 HydrophobicContact CE1-CD1 3.43Å; F196-L356 VanDerWaalsContact CE1-CD1 3.43Å; F196-L356 HydrophobicContact CE2-CD1 4.08Å; F196-L356 HydrophobicContact CG-CD1 3.94Å; F196-L356 HydrophobicContact CZ-CD1 3.7Å
197Y97.4Very high90.9Very high54 Ų5441.3 Ų41.321%0.21223%0.226CC..EExtended strand (participates in β ladder)trans-126.5136.1176-54.2-106.6000111.3K201 L202 I355 Q357Y197-K201 CarbonylContact C-O 3.59Å; Y197-K201 WeakPolarHBondContact CA-O 3.46Å; Y197-L202 HydrophobicContact CD1-CB 3.91Å; Y197-L202 HydrophobicContact CD1-CD1 4.28Å; Y197-L202 HydrophobicContact CE1-CB 3.7Å; Y197-L202 HydrophobicContact CE1-CD1 3.82Å; Y197-L202 HydrophobicContact CE1-CG 4.32Å; Y197-L202 HydrophobicContact CE2-CD1 4.12Å; Y197-I355 HydrophobicContact CD2-CG2 4.25Å; Y197-I355 PolarHBondContact N-O 2.63Å; Y197-I355 PolarHBondContact O-N 2.85Å; Y197-Q357 HydrophobicContact CE2-CB 4.05Å; Y197-Q357 PolarHBondContact OH-OE1 3.36Å
198Y97Very high92.5Very high2 Ų238 Ų381%0.00820%0.202CC..EExtended strand (participates in β ladder)trans-117.1116.1171.3-64.9-22.6000110.9G200 K201 M203 P239 I244 Q249 T253 L353 I354Y198-G200 PolarHBondContact O-N 3.27Å; Y198-K201 PolarHBondContact N-O 2.92Å; Y198-K201 PolarHBondContact O-N 2.55Å; Y198-K201 VanDerWaalsContact O-N 3.12Å; Y198-M203 HydrophobicContact CD2-CE 4.12Å; Y198-M203 HydrophobicContact CD2-CG 3.63Å; Y198-M203 HydrophobicContact CD2-SD 4.21Å; Y198-M203 HydrophobicContact CE2-CG 4.33Å; Y198-M203 HydrophobicContact CG-CG 3.75Å; Y198-M203 HydrophobicContact CG-SD 4.47Å; Y198-P239 HydrophobicContact CE2-CB 3.99Å; Y198-P239 WeakPolarHBondContact CE2-O 3.46Å; Y198-P239 PolarHBondContact OH-O 3.05Å; Y198-I244 HydrophobicContact CD2-CD1 3.61Å; Y198-I244 HydrophobicContact CD2-CG1 3.72Å; Y198-I244 HydrophobicContact CE2-CD1 4.28Å; Y198-I244 HydrophobicContact CG-CD1 4.13Å; Y198-I244 HydrophobicContact CG-CG1 4.42Å; Y198-Q249 PolarHBondContact O-NE2 3.27Å; Y198-T253 HydrophobicContact CD1-CG2 4.13Å; Y198-T253 HydrophobicContact CD2-CG2 4.21Å; Y198-T253 HydrophobicContact CE1-CG2 4.15Å; Y198-T253 HydrophobicContact CE2-CG2 4.19Å; Y198-T253 HydrophobicContact CG-CG2 4.19Å; Y198-L353 WeakPolarHBondContact CA-O 3.35Å; Y198-L353 WeakPolarHBondContact CD1-O 3.44Å; Y198-I354 HydrophobicContact CD1-CB 4.29Å; Y198-I354 HydrophobicContact CD1-CG1 3.82Å; Y198-I354 HydrophobicContact CD1-CG2 4.39Å; Y198-I354 HydrophobicContact CE1-CB 4.2Å; Y198-I354 HydrophobicContact CE1-CD1 4.11Å; Y198-I354 HydrophobicContact CE1-CG1 3.65Å; Y198-I354 HydrophobicContact CE1-CG2 3.94Å
199G92.6Very high93.7Very high32 Ų3240.8 Ų40.833%0.3322%0.217SC..THydrogen-bonded Turntrans55.339.9-175.700000112.4K201 Q249 K350 K352 L353G199-K201 PolarHBondContact O-N 3.02Å; G199-Q249 VanDerWaalsContact N-NE2 3.13Å; G199-K350 CarbonylContact C-O 3.07Å; G199-K352 WeakPolarHBondContact CA-O 3.48Å; G199-K352 PolarHBondContact N-O 3.48Å; G199-L353 PolarHBondContact N-O 2.88Å
200G91.7Very high94.4Very high34 Ų3443.2 Ų43.235%0.35123%0.229SC..THydrogen-bonded Turntrans77.9-7.2-178.800000116Y198 K350Y198-G200 PolarHBondContact O-N 3.27Å; G200-K350 WeakPolarHBondContact CA-O 3.32Å; G200-K350 PolarHBondContact N-O 3.24Å; G200-K350 VanDerWaalsContact N-O 3.13Å
201K94.4Very high94.7Very high106 Ų10646.3 Ų46.346%0.46125%0.249SC..EExtended strand (participates in β ladder)trans-84.7126174.7-172.4179.1-178.3-177.20110.2Y197 Y198 G199 M203 E245Y197-K201 CarbonylContact C-O 3.59Å; Y197-K201 WeakPolarHBondContact CA-O 3.46Å; Y198-K201 PolarHBondContact N-O 2.92Å; Y198-K201 PolarHBondContact O-N 2.55Å; Y198-K201 VanDerWaalsContact O-N 3.12Å; G199-K201 PolarHBondContact O-N 3.02Å; K201-M203 HydrophobicContact CB-SD 4.23Å; K201-M203 HydrophobicContact CD-SD 4.16Å; K201-M203 HydrophobicContact CG-SD 4.11Å; K201-M203 WeakPolarHBondContact O-CG 3.01Å; K201-M203 PolarHBondContact O-N 2.72Å; K201-E245 IonicContact NZ-OE1 3.53Å; K201-E245 PolarHBondContact NZ-OE1 3.38Å
202L96.1Very high94.5Very high85 Ų8547 Ų4745%0.44525%0.252SS..EExtended strand (participates in β ladder)trans-65122.4171.317866.4000109Y197Y197-L202 HydrophobicContact CD1-CB 3.91Å; Y197-L202 HydrophobicContact CD1-CD1 4.28Å; Y197-L202 HydrophobicContact CE1-CB 3.7Å; Y197-L202 HydrophobicContact CE1-CD1 3.82Å; Y197-L202 HydrophobicContact CE1-CG 4.32Å; Y197-L202 HydrophobicContact CE2-CD1 4.12Å
203M96Very high94.3Very high39 Ų3947 Ų4719%0.19225%0.253CS..EExtended strand (participates in β ladder)trans-101.2-41.8-176.9-58.1-55-63.200111.7F196 Y198 K201 P239 L243F196-M203 PolarHBondContact O-N 3.05Å; Y198-M203 HydrophobicContact CD2-CE 4.12Å; Y198-M203 HydrophobicContact CD2-CG 3.63Å; Y198-M203 HydrophobicContact CD2-SD 4.21Å; Y198-M203 HydrophobicContact CE2-CG 4.33Å; Y198-M203 HydrophobicContact CG-CG 3.75Å; Y198-M203 HydrophobicContact CG-SD 4.47Å; K201-M203 HydrophobicContact CB-SD 4.23Å; K201-M203 HydrophobicContact CD-SD 4.16Å; K201-M203 HydrophobicContact CG-SD 4.11Å; K201-M203 WeakPolarHBondContact O-CG 3.01Å; K201-M203 PolarHBondContact O-N 2.72Å; M203-P239 HydrophobicContact CB-CB 4.09Å; M203-P239 HydrophobicContact CB-CG 3.87Å; M203-L243 HydrophobicContact CE-CB 3.52Å; M203-L243 HydrophobicContact CE-CD1 4.43Å
204Y94Very high94.2Very high109 Ų10944.5 Ų44.543%0.42724%0.24SC..EExtended strand (participates in β ladder)trans-163.4149.2-173.9176.8-119.9000109.9F196 T206F196-Y204 AromaticContact CD2-CD1 3.77Å; F196-Y204 HydrophobicContact CD2-CD1 3.77Å; F196-Y204 AromaticContact CE2-CD1 3.92Å; F196-Y204 HydrophobicContact CE2-CD1 3.92Å; F196-Y204 HydrophobicContact CE2-CE1 4.4Å; F196-Y204 PolarHBondContact N-O 2.86Å; Y204-T206 HydrophobicContact CE1-CG2 3.99Å; Y204-T206 WeakPolarHBondContact OH-CB 3.43Å; Y204-T206 PolarHBondContact OH-OG1 3.16Å
205N96.5Very high94.1Very high81 Ų8146.1 Ų46.143%0.43325%0.246SC..EExtended strand (participates in β ladder)trans-135.9158.1165.165.820.5000111.5M193 I194 S195M193-N205 HydrophobicContact SD-CB 4.2Å; I194-N205 CarbonylContact O-C 3.53Å; I194-N205 WeakPolarHBondContact O-CA 3.3Å; I194-N205 WeakPolarHBondContact O-CB 3.44Å; S195-N205 WeakPolarHBondContact OG-CB 3.44Å
206T96.7Very high94.1Very high24 Ų2445.7 Ų45.715%0.14724%0.243CC..EExtended strand (participates in β ladder)trans-153.7145.8-179.6-165.30000112.3I194 Y204 I236I194-T206 HydrophobicContact CB-CG2 4.12Å; I194-T206 PolarHBondContact N-O 3.47Å; I194-T206 PolarHBondContact O-N 3.41Å; Y204-T206 HydrophobicContact CE1-CG2 3.99Å; Y204-T206 WeakPolarHBondContact OH-CB 3.43Å; Y204-T206 PolarHBondContact OH-OG1 3.16Å; T206-I236 HydrophobicContact CG2-CD1 4.12Å; T206-I236 HydrophobicContact CG2-CG2 3.94Å
207L96.4Very high94Very high78 Ų7846 Ų4641%0.40825%0.245SC..EExtended strand (participates in β ladder)trans-92126.8174-178.768.6000109.8M193 T209 V361M193-L207 HydrophobicContact CE-CB 4.3Å; M193-L207 HydrophobicContact CE-CD1 4.42Å; L207-T209 HydrophobicContact CD2-CG2 3.9Å; L207-T209 HydrophobicContact CG-CG2 3.93Å; L207-V361 HydrophobicContact CD1-CG2 3.8Å
208V94Very high93.8Very high0 Ų044.3 Ų44.30%024%0.241CC..EExtended strand (participates in β ladder)trans-105.6121.1172.8178.90000108.3Q191 L192 I194 H210 C214 I236Q191-V208 CarbonylContact C-O 3.57Å; Q191-V208 VanDerWaalsContact CA-O 3.29Å; Q191-V208 WeakPolarHBondContact CA-O 3.44Å; L192-V208 HydrophobicContact CB-CB 4.23Å; L192-V208 PolarHBondContact N-O 3.12Å; L192-V208 PolarHBondContact O-N 2.76Å; I194-V208 HydrophobicContact CD1-CG2 3.44Å; I194-V208 VanDerWaalsContact CD1-CG2 3.44Å; I194-V208 HydrophobicContact CG1-CG2 4.19Å; V208-H210 HydrophobicContact CG1-CB 4.36Å; V208-C214 HydrophobicContact CG1-CB 3.95Å; V208-C214 HydrophobicContact CG2-CB 4.23Å; V208-I236 HydrophobicContact CG2-CD1 3.21Å; V208-I236 HydrophobicContact CG2-CG1 4.49Å
209T90.4Very high93.2Very high69 Ų6950.6 Ų50.642%0.42327%0.27SS..  trans-114.9-1.5175.258.30000112.3Q191 L207Q191-T209 HydrophobicContact CG-CG2 4.22Å; L207-T209 HydrophobicContact CD2-CG2 3.9Å; L207-T209 HydrophobicContact CG-CG2 3.93Å
210H88.6Confident92.2Very high64 Ų6453.4 Ų53.430%0.29628%0.275SS..  trans-65.2127.5-173.6-161-76000111.7V208 E212 G213 S232 Q234V208-H210 HydrophobicContact CG1-CB 4.36Å; H210-E212 VanDerWaalsContact C-N 3.28Å; H210-E212 PolarHBondContact ND1-N 2.67Å; H210-E212 PolarHBondContact O-N 3.3Å; H210-G213 WeakPolarHBondContact O-CA 3.38Å; H210-G213 PolarHBondContact O-N 3.25Å; H210-S232 PolarHBondContact CE1-O 3.24Å; H210-S232 PolarHBondContact ND1-O 3.34Å; H210-Q234 HydrophobicContact CB-CB 3.83Å
211P85.8Confident90.4Very high76 Ų7660.6 Ų60.649%0.49430%0.299SS..THydrogen-bonded Turntrans-65.3-28.8-171.824.3-35000114.1G213 R267P211-G213 VanDerWaalsContact C-N 3.27Å; P211-R267 PolarHBondContact O-NH2 2.92Å; P211-R267 VanDerWaalsContact O-NH2 3.12Å
212E88Confident88.4Confident70 Ų7062.3 Ų62.333%0.32731%0.313SS..THydrogen-bonded Turntrans-83.5-4.2175.2-64.6-62.8116.500113.2H210 S232 M233 R267H210-E212 VanDerWaalsContact C-N 3.28Å; H210-E212 PolarHBondContact ND1-N 2.67Å; H210-E212 PolarHBondContact O-N 3.3Å; E212-S232 WeakPolarHBondContact CB-O 3.41Å; E212-S232 WeakPolarHBondContact CG-O 3.24Å; E212-M233 HydrophobicContact CB-CG 4.17Å; E212-M233 WeakPolarHBondContact O-CE 3.44Å; E212-R267 IonicContact OE1-CZ 2.91Å; E212-R267 IonicContact OE1-NH1 3.55Å; E212-R267 PolarHBondContact OE1-NH1 3.4Å; E212-R267 IonicContact OE1-NH2 3.84Å; E212-R267 PolarHBondContact OE1-NH2 2.99Å; E212-R267 IonicContact OE2-CZ 3.36Å; E212-R267 IonicContact OE2-NH1 3.6Å; E212-R267 PolarHBondContact OE2-NH1 3.46Å; E212-R267 IonicContact OE2-NH2 2.75Å
213G92.7Very high85.5Confident2 Ų261.4 Ų61.42%0.02132%0.324CS..  trans84-155.2-175.200000113.3H210 P211 Q234 V266H210-G213 WeakPolarHBondContact O-CA 3.38Å; H210-G213 PolarHBondContact O-N 3.25Å; P211-G213 VanDerWaalsContact C-N 3.27Å; G213-Q234 PolarHBondContact O-N 2.95Å; G213-Q234 VanDerWaalsContact O-N 3.11Å; G213-V266 CarbonylContact C-O 3.55Å; G213-V266 VanDerWaalsContact CA-O 3.26Å; G213-V266 WeakPolarHBondContact CA-O 3.47Å
214C95.4Very high82.9Confident0 Ų071.6 Ų71.60%036%0.36CS..EExtended strand (participates in β ladder)trans-138.7151.3-173.765.70000113.9I194 V208 M233 Q234 I236 V266I194-C214 VanDerWaalsContact CD1-SG 3.53Å; V208-C214 HydrophobicContact CG1-CB 3.95Å; V208-C214 HydrophobicContact CG2-CB 4.23Å; C214-M233 VanDerWaalsContact O-CE 3.3Å; C214-M233 WeakPolarHBondContact O-CE 3.35Å; C214-Q234 CarbonylContact C-O 3.52Å; C214-Q234 WeakPolarHBondContact CA-O 3.38Å; C214-Q234 HydrophobicContact CB-CB 4.21Å; C214-Q234 VanDerWaalsContact CB-O 3.25Å; C214-Q234 WeakPolarHBondContact CB-O 3.13Å; C214-I236 HydrophobicContact CB-CD1 3.5Å; C214-I236 VanDerWaalsContact CB-CD1 3.5Å; C214-I236 HydrophobicContact CB-CG1 4.05Å; C214-V266 PolarHBondContact N-O 2.8Å; C214-V266 PolarHBondContact O-N 3.48Å
215R96.4Very high80.6Confident34 Ų3469.6 Ų69.613%0.12837%0.373CS..EExtended strand (participates in β ladder)trans-100.9127.2166.8175.3172.9179.5160.3-3.7108.6Y228 Q234 I236 R262 V264 L265R215-Y228 PolarHBondContact NH1-O 2.99Å; R215-Q234 PolarHBondContact N-O 2.84Å; R215-I236 PolarHBondContact O-N 3.46Å; R215-R262 PolarHBondContact NH2-O 2.9Å; R215-V264 WeakPolarHBondContact CA-O 3.02Å; R215-L265 HydrophobicContact CB-CD2 3.73Å; R215-L265 HydrophobicContact CG-CD2 3.75Å
216I97.4Very high78.2Confident0 Ų067.9 Ų67.90%037%0.369CS..EExtended strand (participates in β ladder)trans-112109.8179.3-47.9171.6000108.4I194 F196 I236 F238 G263 V264 V266 L356I194-I216 HydrophobicContact CD1-CD1 3.83Å; I194-I216 HydrophobicContact CD1-CG1 4.43Å; I194-I216 HydrophobicContact CG2-CD1 4.22Å; F196-I216 HydrophobicContact CE1-CG2 3.74Å; F196-I216 HydrophobicContact CZ-CG2 3.71Å; I216-I236 WeakPolarHBondContact CA-O 3.37Å; I216-I236 HydrophobicContact CG1-CB 4.28Å; I216-F238 HydrophobicContact CG2-CD2 4.16Å; I216-F238 HydrophobicContact CG2-CE2 3.72Å; I216-F238 HydrophobicContact CG2-CZ 4.02Å; I216-G263 CarbonylContact O-C 3.59Å; I216-G263 WeakPolarHBondContact O-CA 3.23Å; I216-V264 HydrophobicContact CB-CG2 3.89Å; I216-V264 HydrophobicContact CD1-CG2 4.21Å; I216-V264 HydrophobicContact CG1-CG2 4.35Å; I216-V264 PolarHBondContact N-O 2.96Å; I216-V264 PolarHBondContact O-N 3.02Å; I216-V266 HydrophobicContact CD1-CG2 3.94Å; I216-L356 HydrophobicContact CD1-CD2 3.57Å; I216-L356 HydrophobicContact CG2-CD2 4.33Å
217S96.1Very high75.8Confident6 Ų672.4 Ų72.44%0.04240%0.399CS..  trans-150.7152.5-178.553.10000111.1I236 H237 E261S217-I236 PolarHBondContact N-O 2.84Å; S217-H237 VanDerWaalsContact O-CA 3.31Å; S217-H237 WeakPolarHBondContact O-CA 3.3Å; S217-H237 PolarHBondContact O-ND1 2.79Å; S217-H237 VanDerWaalsContact O-ND1 3.08Å; S217-E261 WeakPolarHBondContact CB-O 3.38Å
218P93.9Very high73.5Confident19 Ų1977.1 Ų77.112%0.12341%0.413CS..PPolyproline II helixtrans-52.1150.5172.3-22.631.9000110.8Q220 F238 L257 L260P218-Q220 PolarHBondContact O-N 2.99Å; P218-Q220 VanDerWaalsContact O-N 3.16Å; P218-F238 HydrophobicContact CG-CD2 4.19Å; P218-L257 HydrophobicContact CG-CB 4.47Å; P218-L257 HydrophobicContact CG-CD2 4.25Å; P218-L257 WeakPolarHBondContact CG-O 3.23Å; P218-L260 VanDerWaalsContact CD-C 3.46Å; P218-L260 WeakPolarHBondContact CD-O 3.46Å; P218-L260 HydrophobicContact CG-CB 3.74Å
219Q85.1Confident71.3Confident134 Ų13481 Ų8163%0.62644%0.44SS*.PPolyproline II helixtrans-63.7120.2177.5-168162.85.500109.4H237Q219-H237 HydrophobicContact CB-CB 4.33Å
220Q70.1Confident69.5Low92 Ų9281.3 Ų81.343%0.4345%0.445SS..PPolyproline II helixtrans-83.8121175.1-68.7-172.8-24.200108.6P218 L222P218-Q220 PolarHBondContact O-N 2.99Å; P218-Q220 VanDerWaalsContact O-N 3.16Å; Q220-L222 VanDerWaalsContact C-N 3.35Å; Q220-L222 PolarHBondContact O-N 2.9Å
221H54.3Low68.1Low184 Ų18486.1 Ų86.185%0.85247%0.473SS*.  trans-70.796.5164.2-62.9-74.3000107.3G223H221-G223 PolarHBondContact O-N 2.76Å
222L51.6Low67.9Low143 Ų14385 Ų8575%0.74947%0.467SS*.  trans-54110.2-176.7-85.6152.9000112.2Q220Q220-L222 VanDerWaalsContact C-N 3.35Å; Q220-L222 PolarHBondContact O-N 2.9Å
223G37.2Very low68Low66 Ų6683.2 Ų83.268%0.6846%0.459SS*.  trans-86.8137.6133.900000108.2H221H221-G223 PolarHBondContact O-N 2.76Å
224R40.5Very low67.9Low253 Ų25386 Ų8696%0.95547%0.472SS*.SBendtrans-30.3129.7-171.4-66.3-174-164.8-106.13.7116.2
225G45.5Very low67.8Low67 Ų6789.9 Ų89.969%0.69149%0.492SS*.  trans69.380.1148.600000115.8P227G225-P227 WeakPolarHBondContact O-CD 3.49Å
226A45.4Very low67.8Low44 Ų4488.7 Ų88.736%0.36449%0.488SS..  trans-78.2122160.700000109.1Y228 S229A226-Y228 PolarHBondContact O-N 3.18Å; A226-S229 PolarHBondContact O-N 2.91Å
227P46.3Very low67.7Low119 Ų11992 Ų9277%0.77350%0.504SS*.THydrogen-bonded Turntrans-71.614179.529-34.2000113.9G225G225-P227 WeakPolarHBondContact O-CD 3.49Å
228Y48.4Very low67.8Low178 Ų17892.2 Ų92.270%0.69850%0.504SS*.THydrogen-bonded Turntrans-125.914.6-176.6-59.3-74.1000113.4R215 A226 S230R215-Y228 PolarHBondContact NH1-O 2.99Å; A226-Y228 PolarHBondContact O-N 3.18Å; Y228-S230 VanDerWaalsContact C-N 3.29Å; Y228-S230 PolarHBondContact O-N 3.16Å
229S48.1Very low67.9Low80 Ų8091.7 Ų91.756%0.55950%0.5SS*.  trans-73.390.2163.2-84.60000108A226 D231A226-S229 PolarHBondContact O-N 2.91Å; S229-D231 PolarHBondContact O-N 3.23Å; S229-D231 VanDerWaalsContact O-N 3.07Å
230S52.8Low68.4Low77 Ų7788.6 Ų88.654%0.53849%0.492SS..  trans-64.3105155.7-80.50000106.7Y228 S232 M233Y228-S230 VanDerWaalsContact C-N 3.29Å; Y228-S230 PolarHBondContact O-N 3.16Å; S230-S232 PolarHBondContact O-N 3.3Å; S230-M233 PolarHBondContact O-N 2.89Å
231D59.8Low69.5Low165 Ų16584.3 Ų84.388%0.88247%0.472SS*.THydrogen-bonded Turntrans-57.2-5.2171.7-104.3-7.6000113S229S229-D231 PolarHBondContact O-N 3.23Å; S229-D231 VanDerWaalsContact O-N 3.07Å
232S80.8Confident71.5Confident53 Ų5381.3 Ų81.337%0.37146%0.459SS..THydrogen-bonded Turntrans-84-12.1-178.764.90000114.8H210 E212 S230H210-S232 PolarHBondContact CE1-O 3.24Å; H210-S232 PolarHBondContact ND1-O 3.34Å; E212-S232 WeakPolarHBondContact CB-O 3.41Å; E212-S232 WeakPolarHBondContact CG-O 3.24Å; S230-S232 PolarHBondContact O-N 3.3Å
233M89.5Confident73.5Confident31 Ų3179 Ų7915%0.15345%0.447CS..SBendtrans-117.9148.3-176.1-62.7-179.375.400112.8E212 C214 S230 N235 L265E212-M233 HydrophobicContact CB-CG 4.17Å; E212-M233 WeakPolarHBondContact O-CE 3.44Å; C214-M233 VanDerWaalsContact O-CE 3.3Å; C214-M233 WeakPolarHBondContact O-CE 3.35Å; S230-M233 PolarHBondContact O-N 2.89Å; M233-N235 PolarHBondContact O-N 2.89Å; M233-L265 HydrophobicContact CE-CB 4.09Å; M233-L265 HydrophobicContact CE-CD2 4.4Å; M233-L265 HydrophobicContact SD-CD1 4.5Å; M233-L265 HydrophobicContact SD-CD2 4.15Å
234Q92.1Very high76.3Confident62 Ų6276.2 Ų76.229%0.2942%0.416SS..EExtended strand (participates in β ladder)trans-69.3129.6173.3-175.8174.74.500110.6H210 G213 C214 R215 I236H210-Q234 HydrophobicContact CB-CB 3.83Å; G213-Q234 PolarHBondContact O-N 2.95Å; G213-Q234 VanDerWaalsContact O-N 3.11Å; C214-Q234 CarbonylContact C-O 3.52Å; C214-Q234 WeakPolarHBondContact CA-O 3.38Å; C214-Q234 HydrophobicContact CB-CB 4.21Å; C214-Q234 VanDerWaalsContact CB-O 3.25Å; C214-Q234 WeakPolarHBondContact CB-O 3.13Å; R215-Q234 PolarHBondContact N-O 2.84Å; Q234-I236 HydrophobicContact CG-CG1 4.41Å
235N93.3Very high78.8Confident81 Ų8170.1 Ų70.143%0.43340%0.398SS..EExtended strand (participates in β ladder)trans-89.8130.5175.8-68.7-64.9000110.8M233M233-N235 PolarHBondContact O-N 2.89Å
236I95.4Very high81.1Confident8 Ų874.8 Ų74.84%0.04140%0.396CS..EExtended strand (participates in β ladder)trans-127.3135.8179.9-55176000108.2I194 F196 T206 V208 C214 R215 I216 S217 Q234I194-I236 HydrophobicContact CD1-CD1 3.45Å; I194-I236 VanDerWaalsContact CD1-CD1 3.45Å; F196-I236 HydrophobicContact CE2-CG2 3.98Å; F196-I236 HydrophobicContact CZ-CG2 3.77Å; T206-I236 HydrophobicContact CG2-CD1 4.12Å; T206-I236 HydrophobicContact CG2-CG2 3.94Å; V208-I236 HydrophobicContact CG2-CD1 3.21Å; V208-I236 HydrophobicContact CG2-CG1 4.49Å; C214-I236 HydrophobicContact CB-CD1 3.5Å; C214-I236 VanDerWaalsContact CB-CD1 3.5Å; C214-I236 HydrophobicContact CB-CG1 4.05Å; R215-I236 PolarHBondContact O-N 3.46Å; I216-I236 WeakPolarHBondContact CA-O 3.37Å; I216-I236 HydrophobicContact CG1-CB 4.28Å; S217-I236 PolarHBondContact N-O 2.84Å; Q234-I236 HydrophobicContact CG-CG1 4.41Å
237H96.4Very high83.4Confident71 Ų7178.3 Ų78.333%0.32941%0.405SS..  trans-107.4137.9-174.4-60-52.8000112.3S217 Q219S217-H237 VanDerWaalsContact O-CA 3.31Å; S217-H237 WeakPolarHBondContact O-CA 3.3Å; S217-H237 PolarHBondContact O-ND1 2.79Å; S217-H237 VanDerWaalsContact O-ND1 3.08Å; Q219-H237 HydrophobicContact CB-CB 4.33Å
238F97.3Very high85.6Confident9 Ų982 Ų824%0.03940%0.403CS..PPolyproline II helixtrans-60.5138.5165.8-76-91.5000109.3F196 I216 P218 L257 L260 F339 I354F196-F238 AromaticContact CD1-CD1 3.77Å; F196-F238 HydrophobicContact CD1-CD1 3.77Å; F196-F238 HydrophobicContact CD1-CE1 4.16Å; F196-F238 HydrophobicContact CD1-CG 4.4Å; F196-F238 AromaticContact CE1-CD1 3.71Å; F196-F238 HydrophobicContact CE1-CD1 3.71Å; F196-F238 AromaticContact CE1-CE1 3.97Å; F196-F238 HydrophobicContact CE1-CE1 3.97Å; F196-F238 HydrophobicContact CE1-CG 4.04Å; I216-F238 HydrophobicContact CG2-CD2 4.16Å; I216-F238 HydrophobicContact CG2-CE2 3.72Å; I216-F238 HydrophobicContact CG2-CZ 4.02Å; P218-F238 HydrophobicContact CG-CD2 4.19Å; F238-L257 HydrophobicContact CB-CD2 3.62Å; F238-L257 HydrophobicContact CD1-CD2 4.14Å; F238-L257 HydrophobicContact CG-CD2 3.87Å; F238-L260 HydrophobicContact CD1-CD1 4.41Å; F238-L260 HydrophobicContact CE1-CD1 3.94Å; F238-L260 HydrophobicContact CE2-CB 4.49Å; F238-L260 HydrophobicContact CE2-CD1 4.12Å; F238-L260 HydrophobicContact CZ-CD1 3.78Å; F238-F339 HydrophobicContact CE1-CE2 4.33Å; F238-F339 HydrophobicContact CE1-CZ 4.42Å; F238-F339 HydrophobicContact CZ-CD1 4.46Å; F238-F339 HydrophobicContact CZ-CE1 4Å; F238-F339 HydrophobicContact CZ-CE2 4.26Å; F238-F339 AromaticContact CZ-CZ 3.9Å; F238-F339 HydrophobicContact CZ-CZ 3.9Å; F238-I354 HydrophobicContact CD1-CG2 4.17Å; F238-I354 HydrophobicContact CE1-CG2 3.83Å
239P96.2Very high87.8Confident8 Ų875.4 Ų75.45%0.05238%0.379CS..PPolyproline II helixtrans-57.1141.1174.5-26.835.9000111.7F196 Y198 M203 L243F196-P239 HydrophobicContact CB-CG 3.84Å; F196-P239 HydrophobicContact CG-CG 4.07Å; Y198-P239 HydrophobicContact CE2-CB 3.99Å; Y198-P239 WeakPolarHBondContact CE2-O 3.46Å; Y198-P239 PolarHBondContact OH-O 3.05Å; M203-P239 HydrophobicContact CB-CB 4.09Å; M203-P239 HydrophobicContact CB-CG 3.87Å; P239-L243 HydrophobicContact CB-CD1 4.15Å
240P94.9Very high90.2Very high70 Ų7074 Ų7446%0.45536%0.362SS..PPolyproline II helixtrans-61142.417818.8-25.6000111.1E242 L243P240-E242 VanDerWaalsContact CB-OE2 3.27Å; P240-E242 WeakPolarHBondContact CB-OE2 3.48Å; P240-E242 PolarHBondContact O-N 2.83Å; P240-L243 HydrophobicContact CG-CD1 4.01Å; P240-L243 HydrophobicContact CG-CG 4.05Å; P240-L243 PolarHBondContact O-N 2.96Å
241A94.9Very high92.2Very high2 Ų276 Ų762%0.01736%0.358CS..G310 helixtrans-65.1-22-179.600000111.8L243 I244 R250 R254 L257A241-L243 PolarHBondContact O-N 3Å; A241-L243 VanDerWaalsContact O-N 3.08Å; A241-I244 HydrophobicContact CB-CD1 4.28Å; A241-I244 VanDerWaalsContact O-CB 3.25Å; A241-I244 WeakPolarHBondContact O-CB 3.26Å; A241-I244 WeakPolarHBondContact O-CG1 3.25Å; A241-I244 PolarHBondContact O-N 3.48Å; A241-R250 HydrophobicContact CB-CG 4.36Å; A241-R250 WeakPolarHBondContact O-CG 3.09Å; A241-R254 HydrophobicContact CB-CB 3.79Å; A241-R254 HydrophobicContact CB-CG 4.49Å; A241-L257 HydrophobicContact CB-CD1 4.02Å
242E95Very high93.9Very high121 Ų12172.4 Ų72.457%0.56534%0.335SS*.G310 helixtrans-56.8-22176.7-69.464.2-141.900112.7P240 I244P240-E242 VanDerWaalsContact CB-OE2 3.27Å; P240-E242 WeakPolarHBondContact CB-OE2 3.48Å; P240-E242 PolarHBondContact O-N 2.83Å; E242-I244 PolarHBondContact O-N 3.35Å
243L93.8Very high94.6Very high94 Ų9469.9 Ų69.949%0.49232%0.317SS..G310 helixtrans-75-9.5174.7-58.5177.3000113.7M203 P239 P240 A241M203-L243 HydrophobicContact CE-CB 3.52Å; M203-L243 HydrophobicContact CE-CD1 4.43Å; P239-L243 HydrophobicContact CB-CD1 4.15Å; P240-L243 HydrophobicContact CG-CD1 4.01Å; P240-L243 HydrophobicContact CG-CG 4.05Å; P240-L243 PolarHBondContact O-N 2.96Å; A241-L243 PolarHBondContact O-N 3Å; A241-L243 VanDerWaalsContact O-N 3.08Å
244I95.8Very high94.9Very high7 Ų774.1 Ų74.14%0.03633%0.332CS..  trans-84123.6-180-60167.3000109.2Y198 A241 E242 Q249 R250 T253Y198-I244 HydrophobicContact CD2-CD1 3.61Å; Y198-I244 HydrophobicContact CD2-CG1 3.72Å; Y198-I244 HydrophobicContact CE2-CD1 4.28Å; Y198-I244 HydrophobicContact CG-CD1 4.13Å; Y198-I244 HydrophobicContact CG-CG1 4.42Å; A241-I244 HydrophobicContact CB-CD1 4.28Å; A241-I244 VanDerWaalsContact O-CB 3.25Å; A241-I244 WeakPolarHBondContact O-CB 3.26Å; A241-I244 WeakPolarHBondContact O-CG1 3.25Å; A241-I244 PolarHBondContact O-N 3.48Å; E242-I244 PolarHBondContact O-N 3.35Å; I244-Q249 HydrophobicContact CG2-CB 3.94Å; I244-Q249 HydrophobicContact CG2-CG 3.91Å; I244-R250 HydrophobicContact CB-CB 4.05Å; I244-R250 HydrophobicContact CB-CG 4.44Å; I244-R250 HydrophobicContact CG2-CB 4.08Å; I244-R250 PolarHBondContact O-NE 3.12Å; I244-R250 PolarHBondContact O-NH2 3.09Å; I244-T253 VanDerWaalsContact CD1-CB 3.46Å; I244-T253 HydrophobicContact CD1-CG2 3.55Å; I244-T253 WeakPolarHBondContact CD1-OG1 3.33Å
245E94.1Very high95.1Very high126 Ų12676.1 Ų76.159%0.58934%0.339SS*.SBendtrans-69.5-44.7-178.6-67.8165.4-142.600112.5K201 E247 R250K201-E245 IonicContact NZ-OE1 3.53Å; K201-E245 PolarHBondContact NZ-OE1 3.38Å; E245-E247 PolarHBondContact O-N 3.08Å; E245-R250 PolarHBondContact O-NH2 2.87Å
246Y93.7Very high95.2Very high164 Ų16473.1 Ų73.164%0.64332%0.323SS*.SBendtrans-78.1116.2-175.6-60.8-72000112.5R248 Q249 R250Y246-R248 VanDerWaalsContact C-N 3.33Å; Y246-R248 PolarHBondContact O-N 3.11Å; Y246-Q249 PolarHBondContact O-N 2.81Å; Y246-Q249 VanDerWaalsContact O-N 3.11Å; Y246-R250 WeakPolarHBondContact O-CB 3.31Å; Y246-R250 PolarHBondContact O-N 2.75Å
247E93.4Very high95.3Very high118 Ų11873.7 Ų73.755%0.55133%0.326SS*.Hα-helixtrans-54.3-44.1-174.7-162.265.5-123.100113.6E245 R250 Y251E245-E247 PolarHBondContact O-N 3.08Å; E247-R250 WeakPolarHBondContact O-CB 3.06Å; E247-R250 PolarHBondContact O-N 2.81Å; E247-R250 IonicContact OE1-CZ 3.3Å; E247-R250 IonicContact OE1-NH1 2.65Å; E247-R250 PolarHBondContact OE1-NH1 2.83Å; E247-R250 IonicContact OE2-CZ 3.48Å; E247-R250 IonicContact OE2-NH1 3.66Å; E247-R250 PolarHBondContact OE2-NH1 3.02Å; E247-Y251 WeakPolarHBondContact O-CB 3.36Å; E247-Y251 PolarHBondContact O-N 3.23Å
248R92.6Very high95.2Very high196 Ų19672.1 Ų72.174%0.7433%0.329SS*.Hα-helixtrans-62.8-47.2179.7-173.7176.6-178.6175.11.2111.1Y246 Y251 F252Y246-R248 VanDerWaalsContact C-N 3.33Å; Y246-R248 PolarHBondContact O-N 3.11Å; R248-Y251 PolarHBondContact O-N 3.28Å; R248-F252 HydrophobicContact CG-CD2 4.04Å; R248-F252 HydrophobicContact CG-CE2 3.66Å; R248-F252 WeakPolarHBondContact O-CD2 3.27Å; R248-F252 PolarHBondContact O-N 2.8Å
249Q94.5Very high95Very high41 Ų4175 Ų7519%0.19234%0.343CS..Hα-helixtrans-64.6-43.1177.8-175.6-169.8-1.100110.9Y198 G199 I244 Y246 Y251 F252 T253 L353Y198-Q249 PolarHBondContact O-NE2 3.27Å; G199-Q249 VanDerWaalsContact N-NE2 3.13Å; I244-Q249 HydrophobicContact CG2-CB 3.94Å; I244-Q249 HydrophobicContact CG2-CG 3.91Å; Y246-Q249 PolarHBondContact O-N 2.81Å; Y246-Q249 VanDerWaalsContact O-N 3.11Å; Q249-Y251 VanDerWaalsContact C-N 3.35Å; Q249-Y251 PolarHBondContact O-N 3.01Å; Q249-F252 PolarHBondContact O-N 2.83Å; Q249-T253 WeakPolarHBondContact O-CB 3.34Å; Q249-T253 PolarHBondContact O-N 2.9Å; Q249-T253 PolarHBondContact O-OG1 2.9Å; Q249-L353 HydrophobicContact CG-CD2 4.12Å
250R97.1Very high95Very high49 Ų4974.7 Ų74.719%0.18534%0.34CS..Hα-helixtrans-55.2-49.8176.4-176.2-175-49.6135.43111.3A241 I244 E245 Y246 E247 F252 T253 R254A241-R250 HydrophobicContact CB-CG 4.36Å; A241-R250 WeakPolarHBondContact O-CG 3.09Å; I244-R250 HydrophobicContact CB-CB 4.05Å; I244-R250 HydrophobicContact CB-CG 4.44Å; I244-R250 HydrophobicContact CG2-CB 4.08Å; I244-R250 PolarHBondContact O-NE 3.12Å; I244-R250 PolarHBondContact O-NH2 3.09Å; E245-R250 PolarHBondContact O-NH2 2.87Å; Y246-R250 WeakPolarHBondContact O-CB 3.31Å; Y246-R250 PolarHBondContact O-N 2.75Å; E247-R250 WeakPolarHBondContact O-CB 3.06Å; E247-R250 PolarHBondContact O-N 2.81Å; E247-R250 IonicContact OE1-CZ 3.3Å; E247-R250 IonicContact OE1-NH1 2.65Å; E247-R250 PolarHBondContact OE1-NH1 2.83Å; E247-R250 IonicContact OE2-CZ 3.48Å; E247-R250 IonicContact OE2-NH1 3.66Å; E247-R250 PolarHBondContact OE2-NH1 3.02Å; R250-F252 PolarHBondContact O-N 2.82Å; R250-T253 PolarHBondContact O-N 2.91Å; R250-R254 VanDerWaalsContact O-CB 3.29Å; R250-R254 WeakPolarHBondContact O-CB 3.38Å; R250-R254 PolarHBondContact O-N 3.47Å
251Y95.6Very high94.8Very high120 Ų12076.4 Ų76.447%0.47134%0.343SS..Hα-helixtrans-56.5-50179.9174.4-98.1000112.2E247 R248 Q249 K255E247-Y251 WeakPolarHBondContact O-CB 3.36Å; E247-Y251 PolarHBondContact O-N 3.23Å; R248-Y251 PolarHBondContact O-N 3.28Å; Q249-Y251 VanDerWaalsContact C-N 3.35Å; Q249-Y251 PolarHBondContact O-N 3.01Å; Y251-K255 PolarHBondContact O-N 3.1Å; Y251-K255 VanDerWaalsContact O-N 3.1Å
252F94.9Very high94.6Very high90 Ų9081.4 Ų81.440%0.39536%0.361SS..Hα-helixtrans-69.6-40-179.8-69.5-63.5000112.7R248 Q249 R250 K255 L256 L353R248-F252 HydrophobicContact CG-CD2 4.04Å; R248-F252 HydrophobicContact CG-CE2 3.66Å; R248-F252 WeakPolarHBondContact O-CD2 3.27Å; R248-F252 PolarHBondContact O-N 2.8Å; Q249-F252 PolarHBondContact O-N 2.83Å; R250-F252 PolarHBondContact O-N 2.82Å; F252-K255 PolarHBondContact O-N 3.45Å; F252-L256 WeakPolarHBondContact O-CB 3.4Å; F252-L256 PolarHBondContact O-N 3.26Å; F252-L353 HydrophobicContact CB-CD1 3.8Å; F252-L353 HydrophobicContact CB-CD2 4.15Å
253T96.2Very high94.6Very high0 Ų075.7 Ų75.70%033%0.334CS..Hα-helixtrans-63.6-43.6177.9-53.60000111Y198 I244 Q249 R250 K255 L256 L257 I354Y198-T253 HydrophobicContact CD1-CG2 4.13Å; Y198-T253 HydrophobicContact CD2-CG2 4.21Å; Y198-T253 HydrophobicContact CE1-CG2 4.15Å; Y198-T253 HydrophobicContact CE2-CG2 4.19Å; Y198-T253 HydrophobicContact CG-CG2 4.19Å; I244-T253 VanDerWaalsContact CD1-CB 3.46Å; I244-T253 HydrophobicContact CD1-CG2 3.55Å; I244-T253 WeakPolarHBondContact CD1-OG1 3.33Å; Q249-T253 WeakPolarHBondContact O-CB 3.34Å; Q249-T253 PolarHBondContact O-N 2.9Å; Q249-T253 PolarHBondContact O-OG1 2.9Å; R250-T253 PolarHBondContact O-N 2.91Å; T253-K255 PolarHBondContact O-N 3.21Å; T253-L256 PolarHBondContact O-N 3.35Å; T253-L257 HydrophobicContact CG2-CD1 4.46Å; T253-L257 WeakPolarHBondContact O-CG 3.29Å; T253-L257 PolarHBondContact O-N 3.11Å; T253-I354 HydrophobicContact CG2-CD1 3.95Å; T253-I354 HydrophobicContact CG2-CG1 3.83Å
254R96.3Very high94.8Very high119 Ų11971.2 Ų71.245%0.44931%0.311SS..Hα-helixtrans-60.4-44.4174.9-176.8173.159.8-159.9-2.3112.3A241 R250 L256 L257 G258A241-R254 HydrophobicContact CB-CB 3.79Å; A241-R254 HydrophobicContact CB-CG 4.49Å; R250-R254 VanDerWaalsContact O-CB 3.29Å; R250-R254 WeakPolarHBondContact O-CB 3.38Å; R250-R254 PolarHBondContact O-N 3.47Å; R254-L256 VanDerWaalsContact C-N 3.3Å; R254-L256 PolarHBondContact O-N 3.31Å; R254-L257 PolarHBondContact O-N 3.48Å; R254-G258 PolarHBondContact O-N 3.23Å
255K95.3Very high94.9Very high105 Ų10573 Ų7346%0.45732%0.32SS..Hα-helixtrans-60.5-42.8176-172.7176.8-179.6178.30111.1Y251 F252 T253 G258 H259Y251-K255 PolarHBondContact O-N 3.1Å; Y251-K255 VanDerWaalsContact O-N 3.1Å; F252-K255 PolarHBondContact O-N 3.45Å; T253-K255 PolarHBondContact O-N 3.21Å; K255-G258 PolarHBondContact O-N 3.27Å; K255-H259 PolarHBondContact O-CD2 2.86Å; K255-H259 VanDerWaalsContact O-CD2 3.24Å
256L96.7Very high95.1Very high18 Ų1867 Ų679%0.09429%0.292CS..Hα-helixtrans-64.8-43177.8178.257.1000112.4F252 T253 R254 G258 H259 S281 F339 L353 I354F252-L256 WeakPolarHBondContact O-CB 3.4Å; F252-L256 PolarHBondContact O-N 3.26Å; T253-L256 PolarHBondContact O-N 3.35Å; R254-L256 VanDerWaalsContact C-N 3.3Å; R254-L256 PolarHBondContact O-N 3.31Å; L256-G258 PolarHBondContact O-N 3.44Å; L256-H259 WeakPolarHBondContact O-CA 3.39Å; L256-H259 WeakPolarHBondContact O-CB 3.38Å; L256-H259 PolarHBondContact O-N 2.83Å; L256-S281 WeakPolarHBondContact CD1-OG 3.33Å; L256-F339 HydrophobicContact CD2-CB 4.44Å; L256-F339 VanDerWaalsContact CD2-O 3.31Å; L256-F339 WeakPolarHBondContact CD2-O 3.47Å; L256-L353 HydrophobicContact CD2-CB 4.31Å; L256-I354 HydrophobicContact CB-CD1 4.32Å; L256-I354 HydrophobicContact CD2-CB 4.25Å; L256-I354 HydrophobicContact CD2-CD1 3.62Å; L256-I354 HydrophobicContact CD2-CG1 3.84Å; L256-I354 HydrophobicContact CG-CD1 3.85Å
257L96.4Very high95.1Very high19 Ų1963.8 Ų63.810%0.09928%0.279CS..Hα-helixtrans-55.8-35.9176.2-73.1171000112.2P218 F238 A241 T253 R254 H259 L260 I354P218-L257 HydrophobicContact CG-CB 4.47Å; P218-L257 HydrophobicContact CG-CD2 4.25Å; P218-L257 WeakPolarHBondContact CG-O 3.23Å; F238-L257 HydrophobicContact CB-CD2 3.62Å; F238-L257 HydrophobicContact CD1-CD2 4.14Å; F238-L257 HydrophobicContact CG-CD2 3.87Å; A241-L257 HydrophobicContact CB-CD1 4.02Å; T253-L257 HydrophobicContact CG2-CD1 4.46Å; T253-L257 WeakPolarHBondContact O-CG 3.29Å; T253-L257 PolarHBondContact O-N 3.11Å; R254-L257 PolarHBondContact O-N 3.48Å; L257-H259 PolarHBondContact O-N 3.1Å; L257-H259 VanDerWaalsContact O-N 3.16Å; L257-L260 HydrophobicContact CD2-CD1 4.27Å; L257-L260 WeakPolarHBondContact O-CB 3.47Å; L257-L260 PolarHBondContact O-N 3.42Å; L257-I354 HydrophobicContact CD2-CD1 3.87Å; L257-I354 HydrophobicContact CG-CD1 4.08Å
258G94Very high95.1Very high38 Ų3858.4 Ų58.439%0.39226%0.255SS..THydrogen-bonded Turntrans-60.5-21.1173.700000114.5R254 K255 L256R254-G258 PolarHBondContact O-N 3.23Å; K255-G258 PolarHBondContact O-N 3.27Å; L256-G258 PolarHBondContact O-N 3.44Å
259H94.4Very high95Very high71 Ų7151.8 Ų51.833%0.32923%0.234SC..THydrogen-bonded Turntrans-93.8-0173.9-61.3-69.5000113.3K255 L256 L257 Q280 S281K255-H259 PolarHBondContact O-CD2 2.86Å; K255-H259 VanDerWaalsContact O-CD2 3.24Å; L256-H259 WeakPolarHBondContact O-CA 3.39Å; L256-H259 WeakPolarHBondContact O-CB 3.38Å; L256-H259 PolarHBondContact O-N 2.83Å; L257-H259 PolarHBondContact O-N 3.1Å; L257-H259 VanDerWaalsContact O-N 3.16Å; H259-Q280 HydrophobicContact CB-CB 4.36Å; H259-Q280 PolarHBondContact O-N 2.95Å; H259-S281 PolarHBondContact O-N 2.92Å
260L96.1Very high94.8Very high0 Ų055 Ų550%025%0.249CC..  trans-101.43.8-178.7-57.7-168.6000114.3P218 F238 L257 R262 G263 C279 F339 I354P218-L260 VanDerWaalsContact CD-C 3.46Å; P218-L260 WeakPolarHBondContact CD-O 3.46Å; P218-L260 HydrophobicContact CG-CB 3.74Å; F238-L260 HydrophobicContact CD1-CD1 4.41Å; F238-L260 HydrophobicContact CE1-CD1 3.94Å; F238-L260 HydrophobicContact CE2-CB 4.49Å; F238-L260 HydrophobicContact CE2-CD1 4.12Å; F238-L260 HydrophobicContact CZ-CD1 3.78Å; L257-L260 HydrophobicContact CD2-CD1 4.27Å; L257-L260 WeakPolarHBondContact O-CB 3.47Å; L257-L260 PolarHBondContact O-N 3.42Å; L260-R262 VanDerWaalsContact C-N 3.35Å; L260-R262 PolarHBondContact O-N 2.98Å; L260-G263 VanDerWaalsContact O-CA 3.23Å; L260-G263 WeakPolarHBondContact O-CA 3.19Å; L260-G263 PolarHBondContact O-N 2.87Å; L260-C279 HydrophobicContact CD2-CB 4.02Å; L260-F339 HydrophobicContact CD1-CB 4.21Å; L260-F339 HydrophobicContact CD1-CD1 3.84Å; L260-F339 HydrophobicContact CD1-CG 4.13Å; L260-F339 HydrophobicContact CD2-CB 4.41Å; L260-F339 HydrophobicContact CD2-CD1 3.62Å; L260-F339 HydrophobicContact CD2-CE1 4.38Å; L260-F339 HydrophobicContact CD2-CG 4.42Å; L260-F339 HydrophobicContact CG-CD1 4.41Å; L260-I354 HydrophobicContact CD1-CD1 4.01Å
261E90.4Very high94.4Very high107 Ų10758.3 Ų58.350%0.527%0.267SS..THydrogen-bonded Turntrans-51.3-43.2-171.7-66178.1170.500115.3S217 G263S217-E261 WeakPolarHBondContact CB-O 3.38Å; E261-G263 VanDerWaalsContact C-N 3.27Å; E261-G263 PolarHBondContact O-N 2.65Å
262R90.6Very high94.3Very high106 Ų10652.6 Ų52.640%0.425%0.245SC..THydrogen-bonded Turntrans-73.6-21.2176.1-71-178.569.4-147.46.1112.9R215 L260 L278 D305R215-R262 PolarHBondContact NH2-O 2.9Å; L260-R262 VanDerWaalsContact C-N 3.35Å; L260-R262 PolarHBondContact O-N 2.98Å; R262-L278 HydrophobicContact CB-CB 3.78Å; R262-L278 VanDerWaalsContact CB-O 3.32Å; R262-L278 WeakPolarHBondContact CB-O 3.46Å; R262-L278 WeakPolarHBondContact CD-O 3.44Å; R262-L278 PolarHBondContact NH1-O 2.79Å; R262-D305 IonicContact CZ-OD1 2.98Å; R262-D305 IonicContact NH1-OD1 3.87Å; R262-D305 IonicContact NH1-OD2 3.62Å; R262-D305 IonicContact NH2-OD1 2.71Å; R262-D305 PolarHBondContact NH2-OD1 2.79Å; R262-D305 VanDerWaalsContact NH2-OD1 3.17Å
263G95.8Very high94.4Very high1 Ų148.3 Ų48.31%0.0123%0.226CC..  trans70.4-156173.300000115.4I216 L260 E261 L278 C279I216-G263 CarbonylContact O-C 3.59Å; I216-G263 WeakPolarHBondContact O-CA 3.23Å; L260-G263 VanDerWaalsContact O-CA 3.23Å; L260-G263 WeakPolarHBondContact O-CA 3.19Å; L260-G263 PolarHBondContact O-N 2.87Å; E261-G263 VanDerWaalsContact C-N 3.27Å; E261-G263 PolarHBondContact O-N 2.65Å; G263-L278 CarbonylContact O-C 3.52Å; G263-L278 WeakPolarHBondContact O-CA 3.34Å; G263-L278 WeakPolarHBondContact O-CB 3.27Å; G263-L278 PolarHBondContact O-N 3.46Å; G263-C279 PolarHBondContact O-N 2.86Å
264V97.8Very high94.4Very high0 Ų050.7 Ų50.70%024%0.236CC..EExtended strand (participates in β ladder)trans-128.5149.3171.3-600000109.4R215 I216 V266 I275 K276 F339R215-V264 WeakPolarHBondContact CA-O 3.02Å; I216-V264 HydrophobicContact CB-CG2 3.89Å; I216-V264 HydrophobicContact CD1-CG2 4.21Å; I216-V264 HydrophobicContact CG1-CG2 4.35Å; I216-V264 PolarHBondContact N-O 2.96Å; I216-V264 PolarHBondContact O-N 3.02Å; V264-V266 HydrophobicContact CG2-CG2 4.12Å; V264-I275 HydrophobicContact CB-CD1 4.1Å; V264-I275 HydrophobicContact CB-CG1 4.21Å; V264-I275 HydrophobicContact CG1-CD1 4.38Å; V264-I275 HydrophobicContact CG2-CD1 4.26Å; V264-K276 WeakPolarHBondContact CA-O 3.37Å; V264-F339 HydrophobicContact CG1-CE1 4.02Å; V264-F339 HydrophobicContact CG1-CZ 4.31Å
265L97.2Very high94.4Very high45 Ų4545.1 Ų45.124%0.23622%0.215CC..EExtended strand (participates in β ladder)trans-103.8129.3170-53.2-178.7000108.2R215 M233 I275 K276 L278R215-L265 HydrophobicContact CB-CD2 3.73Å; R215-L265 HydrophobicContact CG-CD2 3.75Å; M233-L265 HydrophobicContact CE-CB 4.09Å; M233-L265 HydrophobicContact CE-CD2 4.4Å; M233-L265 HydrophobicContact SD-CD1 4.5Å; M233-L265 HydrophobicContact SD-CD2 4.15Å; L265-I275 CarbonylContact O-C 3.52Å; L265-I275 VanDerWaalsContact O-CA 3.24Å; L265-I275 WeakPolarHBondContact O-CA 3.45Å; L265-I275 WeakPolarHBondContact O-CG1 3.31Å; L265-K276 HydrophobicContact CB-CB 4.25Å; L265-K276 PolarHBondContact N-O 3.25Å; L265-K276 PolarHBondContact O-N 2.85Å; L265-L278 HydrophobicContact CD1-CD1 3.93Å; L265-L278 HydrophobicContact CD2-CD1 4.11Å; L265-L278 HydrophobicContact CG-CD1 3.75Å; L265-L278 HydrophobicContact CG-CG 4.41Å
266V97.6Very high94.5Very high0 Ų043.4 Ų43.40%021%0.208CC..EExtended strand (participates in β ladder)trans-125.8132-179.1-176.20000108.9L192 G213 C214 I216 V264 I273 F274 I275 I358L192-V266 HydrophobicContact CD1-CG1 3.71Å; G213-V266 CarbonylContact C-O 3.55Å; G213-V266 VanDerWaalsContact CA-O 3.26Å; G213-V266 WeakPolarHBondContact CA-O 3.47Å; C214-V266 PolarHBondContact N-O 2.8Å; C214-V266 PolarHBondContact O-N 3.48Å; I216-V266 HydrophobicContact CD1-CG2 3.94Å; V264-V266 HydrophobicContact CG2-CG2 4.12Å; V266-I273 HydrophobicContact CG1-CG2 3.74Å; V266-F274 WeakPolarHBondContact CA-O 3.48Å; V266-I275 HydrophobicContact CG2-CD1 4.05Å; V266-I275 HydrophobicContact CG2-CG1 4.08Å; V266-I358 HydrophobicContact CG1-CD1 4.16Å; V266-I358 HydrophobicContact CG2-CD1 4.02Å
267R94.6Very high94.5Very high96 Ų9642.8 Ų42.836%0.36220%0.204SC..EExtended strand (participates in β ladder)trans-136140.2174.7-174176.6-173.6137.38.3110.1P211 E212 F274P211-R267 PolarHBondContact O-NH2 2.92Å; P211-R267 VanDerWaalsContact O-NH2 3.12Å; E212-R267 IonicContact OE1-CZ 2.91Å; E212-R267 IonicContact OE1-NH1 3.55Å; E212-R267 PolarHBondContact OE1-NH1 3.4Å; E212-R267 IonicContact OE1-NH2 3.84Å; E212-R267 PolarHBondContact OE1-NH2 2.99Å; E212-R267 IonicContact OE2-CZ 3.36Å; E212-R267 IonicContact OE2-NH1 3.6Å; E212-R267 PolarHBondContact OE2-NH1 3.46Å; E212-R267 IonicContact OE2-NH2 2.75Å; R267-F274 PolarHBondContact N-O 2.86Å; R267-F274 PolarHBondContact O-N 3.41Å
268A93.6Very high94.5Very high5 Ų542.7 Ų42.74%0.04120%0.204CC..EExtended strand (participates in β ladder)trans-114.9146.6172.300000111.1F189 L192 G272 I273F189-A268 CarbonylContact O-C 3.58Å; F189-A268 WeakPolarHBondContact O-CB 3.22Å; L192-A268 HydrophobicContact CD1-CB 3.92Å; L192-A268 HydrophobicContact CD2-CB 3.75Å; L192-A268 HydrophobicContact CG-CB 3.82Å; A268-G272 WeakPolarHBondContact CA-O 3.39Å; A268-I273 HydrophobicContact CB-CG1 4.43Å
269N90.4Very high94.6Very high58 Ų5841 Ų4131%0.3119%0.185SC..EExtended strand (participates in β ladder)trans-148.2-169.6171.768.518.2000109.4E271 G272 F274 M360N269-E271 PolarHBondContact O-N 3.29Å; N269-E271 WeakPolarHBondContact OD1-CA 3.26Å; N269-E271 WeakPolarHBondContact OD1-CB 3.32Å; N269-E271 PolarHBondContact OD1-N 3.17Å; N269-G272 PolarHBondContact N-O 3.4Å; N269-G272 PolarHBondContact O-N 3.47Å; N269-G272 PolarHBondContact OD1-N 2.92Å; N269-G272 PolarHBondContact OD1-O 3.24Å; N269-F274 WeakPolarHBondContact OD1-CE2 3.13Å; N269-M360 VanDerWaalsContact O-CE 3.27Å; N269-M360 WeakPolarHBondContact O-CE 3.33Å
270Q89.1Confident94.5Very high107 Ų10742.4 Ų42.450%0.519%0.192SC..THydrogen-bonded Turntrans-59.8-31.2179.9-6817610.300113.8F189 T313F189-Q270 HydrophobicContact CB-CG 4.17Å; F189-Q270 HydrophobicContact CD1-CG 4.16Å; F189-Q270 HydrophobicContact CD2-CG 3.44Å; F189-Q270 VanDerWaalsContact CD2-CG 3.44Å; F189-Q270 HydrophobicContact CE1-CG 4.37Å; F189-Q270 HydrophobicContact CE2-CG 3.69Å; F189-Q270 HydrophobicContact CG-CB 4.4Å; F189-Q270 HydrophobicContact CG-CG 3.67Å; F189-Q270 HydrophobicContact CZ-CG 4.12Å; Q270-T313 VanDerWaalsContact O-CB 3.23Å; Q270-T313 WeakPolarHBondContact O-CB 3.38Å; Q270-T313 WeakPolarHBondContact O-CG2 3.37Å; Q270-T313 PolarHBondContact O-OG1 3.23Å
271E89.9Confident94.4Very high120 Ų12042.9 Ų42.956%0.56120%0.196SC*.THydrogen-bonded Turntrans-77.8-26.9-179.8-59.1-176.6-179.400112.8N269 F274 T313N269-E271 PolarHBondContact O-N 3.29Å; N269-E271 WeakPolarHBondContact OD1-CA 3.26Å; N269-E271 WeakPolarHBondContact OD1-CB 3.32Å; N269-E271 PolarHBondContact OD1-N 3.17Å; E271-F274 HydrophobicContact CB-CE2 4.26Å; E271-F274 HydrophobicContact CB-CZ 4.23Å; E271-T313 PolarHBondContact O-N 3.07Å; E271-T313 PolarHBondContact O-OG1 3.39Å
272G93.4Very high94.7Very high0 Ų041.5 Ų41.50%019%0.186CC..EExtended strand (participates in β ladder)trans144.4-149.8177.300000113.9A268 N269 F311 T313A268-G272 WeakPolarHBondContact CA-O 3.39Å; N269-G272 PolarHBondContact N-O 3.4Å; N269-G272 PolarHBondContact O-N 3.47Å; N269-G272 PolarHBondContact OD1-N 2.92Å; N269-G272 PolarHBondContact OD1-O 3.24Å; G272-F311 WeakPolarHBondContact CA-O 3.28Å; G272-T313 WeakPolarHBondContact CA-OG1 2.96Å; G272-T313 PolarHBondContact N-OG1 2.79Å
273I96.1Very high95Very high0 Ų036.5 Ų36.50%017%0.167CC..EExtended strand (participates in β ladder)trans-106.7127.4-175.7-52.3175.5000109.7L192 V266 A268 K309 I310 F311 I358 M360L192-I273 HydrophobicContact CD2-CD1 3.67Å; L192-I273 HydrophobicContact CD2-CG1 3.95Å; V266-I273 HydrophobicContact CG1-CG2 3.74Å; A268-I273 HydrophobicContact CB-CG1 4.43Å; I273-K309 CarbonylContact O-C 3.4Å; I273-K309 WeakPolarHBondContact O-CA 3.3Å; I273-I310 HydrophobicContact CB-CD1 4.5Å; I273-I310 HydrophobicContact CB-CG1 4.02Å; I273-I310 HydrophobicContact CG2-CD1 3.86Å; I273-I310 HydrophobicContact CG2-CG1 3.86Å; I273-I310 WeakPolarHBondContact O-CG1 3.48Å; I273-I310 PolarHBondContact O-N 2.62Å; I273-F311 HydrophobicContact CB-CB 3.75Å; I273-F311 HydrophobicContact CD1-CB 3.83Å; I273-F311 HydrophobicContact CD1-CG 4.18Å; I273-F311 HydrophobicContact CG1-CB 3.72Å; I273-F311 HydrophobicContact CG1-CD1 4.34Å; I273-F311 HydrophobicContact CG1-CG 4.26Å; I273-F311 PolarHBondContact N-O 3.21Å; I273-F311 VanDerWaalsContact N-O 3.11Å; I273-F311 PolarHBondContact O-N 3.23Å; I273-I358 HydrophobicContact CD1-CG2 3.98Å; I273-M360 HydrophobicContact CD1-CB 4.17Å; I273-M360 HydrophobicContact CG1-SD 4.13Å
274F95.8Very high95Very high50 Ų5037.3 Ų37.322%0.21917%0.17CC..EExtended strand (participates in β ladder)trans-112.5140.9176.6-62.1-97.2000110.2V266 R267 N269 E271 V307 V308 K309V266-F274 WeakPolarHBondContact CA-O 3.48Å; R267-F274 PolarHBondContact N-O 2.86Å; R267-F274 PolarHBondContact O-N 3.41Å; N269-F274 WeakPolarHBondContact OD1-CE2 3.13Å; E271-F274 HydrophobicContact CB-CE2 4.26Å; E271-F274 HydrophobicContact CB-CZ 4.23Å; F274-V307 HydrophobicContact CB-CG1 4.41Å; F274-V307 HydrophobicContact CD1-CG1 4.45Å; F274-V308 WeakPolarHBondContact CA-O 3.35Å; F274-K309 HydrophobicContact CD1-CB 4Å; F274-K309 HydrophobicContact CE1-CB 3.8Å; F274-K309 HydrophobicContact CE1-CD 4.26Å; F274-K309 HydrophobicContact CE1-CG 4.19Å; F274-K309 HydrophobicContact CZ-CB 4.39Å; F274-K309 HydrophobicContact CZ-CD 4.03Å; F274-K309 HydrophobicContact CZ-CG 4.28Å
275I97.6Very high94.8Very high2 Ų237.3 Ų37.31%0.0117%0.17CC..EExtended strand (participates in β ladder)trans-132.6146.3178.9-168.7164.7000111.3V264 L265 V266 L302 V307 V308 I310 L337V264-I275 HydrophobicContact CB-CD1 4.1Å; V264-I275 HydrophobicContact CB-CG1 4.21Å; V264-I275 HydrophobicContact CG1-CD1 4.38Å; V264-I275 HydrophobicContact CG2-CD1 4.26Å; L265-I275 CarbonylContact O-C 3.52Å; L265-I275 VanDerWaalsContact O-CA 3.24Å; L265-I275 WeakPolarHBondContact O-CA 3.45Å; L265-I275 WeakPolarHBondContact O-CG1 3.31Å; V266-I275 HydrophobicContact CG2-CD1 4.05Å; V266-I275 HydrophobicContact CG2-CG1 4.08Å; I275-L302 HydrophobicContact CD1-CD1 4.07Å; I275-L302 HydrophobicContact CG2-CD1 3.98Å; I275-V307 WeakPolarHBondContact O-CA 3.09Å; I275-V308 HydrophobicContact CG2-CG2 3.63Å; I275-V308 PolarHBondContact N-O 2.87Å; I275-V308 PolarHBondContact O-N 3.36Å; I275-I310 HydrophobicContact CB-CD1 3.95Å; I275-I310 HydrophobicContact CB-CG1 4.44Å; I275-I310 HydrophobicContact CD1-CD1 4.3Å; I275-I310 HydrophobicContact CG2-CB 4.41Å; I275-I310 HydrophobicContact CG2-CD1 3.94Å; I275-I310 HydrophobicContact CG2-CG1 4.15Å; I275-I310 HydrophobicContact CG2-CG2 3.42Å; I275-I310 VanDerWaalsContact CG2-CG2 3.42Å; I275-L337 HydrophobicContact CD1-CD1 3.4Å; I275-L337 HydrophobicContact CD1-CD2 4.38Å
276K97Very high94.4Very high68 Ų6835.5 Ų35.530%0.29616%0.161SC..EExtended strand (participates in β ladder)trans-125.5118.2166.7-170.6176.1-173.9168.80109.9V264 L265 L278 D305 S306 V307V264-K276 WeakPolarHBondContact CA-O 3.37Å; L265-K276 HydrophobicContact CB-CB 4.25Å; L265-K276 PolarHBondContact N-O 3.25Å; L265-K276 PolarHBondContact O-N 2.85Å; K276-L278 HydrophobicContact CD-CD2 4.02Å; K276-L278 HydrophobicContact CG-CD2 3.97Å; K276-D305 WeakPolarHBondContact CE-O 3.39Å; K276-S306 WeakPolarHBondContact CA-O 3.4Å; K276-V307 HydrophobicContact CB-CG2 4.18Å; K276-V307 HydrophobicContact CD-CG2 3.96Å; K276-V307 HydrophobicContact CG-CG2 4.22Å
277R97.4Very high93.8Very high6 Ų636.2 Ų36.22%0.02317%0.169CC..EExtended strand (participates in β ladder)trans-81.5122.6176.3176.2-170.2164.2-136-10110.4Q280 S281 V283 L302 D305R277-Q280 PolarHBondContact NH2-O 2.92Å; R277-S281 PolarHBondContact NE-O 3.45Å; R277-S281 VanDerWaalsContact NH2-C 3.27Å; R277-S281 PolarHBondContact NH2-O 3.44Å; R277-V283 HydrophobicContact CG-CG2 4.04Å; R277-L302 HydrophobicContact CB-CB 4.39Å; R277-L302 VanDerWaalsContact CD-O 3.3Å; R277-L302 WeakPolarHBondContact CD-O 3.07Å; R277-L302 PolarHBondContact NH1-O 3.45Å; R277-D305 PolarHBondContact O-N 2.89Å
278L95.8Very high92.6Very high17 Ų1734.3 Ų34.39%0.08917%0.165CC..  trans-114.9-20.8177.3-55.6179.1000113.1R262 G263 L265 K276 D305R262-L278 HydrophobicContact CB-CB 3.78Å; R262-L278 VanDerWaalsContact CB-O 3.32Å; R262-L278 WeakPolarHBondContact CB-O 3.46Å; R262-L278 WeakPolarHBondContact CD-O 3.44Å; R262-L278 PolarHBondContact NH1-O 2.79Å; G263-L278 CarbonylContact O-C 3.52Å; G263-L278 WeakPolarHBondContact O-CA 3.34Å; G263-L278 WeakPolarHBondContact O-CB 3.27Å; G263-L278 PolarHBondContact O-N 3.46Å; L265-L278 HydrophobicContact CD1-CD1 3.93Å; L265-L278 HydrophobicContact CD2-CD1 4.11Å; L265-L278 HydrophobicContact CG-CD1 3.75Å; L265-L278 HydrophobicContact CG-CG 4.41Å; K276-L278 HydrophobicContact CD-CD2 4.02Å; K276-L278 HydrophobicContact CG-CD2 3.97Å; L278-D305 WeakPolarHBondContact CD2-OD1 3.29Å
279C95.4Very high90.7Very high1 Ų135.1 Ų35.11%0.00717%0.174CC..SBendtrans-66.1159.9-178.161.20000113.9L260 G263 S281 R304L260-C279 HydrophobicContact CD2-CB 4.02Å; G263-C279 PolarHBondContact O-N 2.86Å; C279-S281 PolarHBondContact SG-O 3.26Å; C279-R304 PolarHBondContact O-NE 2.96Å
280Q93.4Very high88.5Confident101 Ų10135.7 Ų35.747%0.47218%0.177SC..SBendtrans-73.6-40.8177.8-65.6177.813.900110.9H259 R277 R304H259-Q280 HydrophobicContact CB-CB 4.36Å; H259-Q280 PolarHBondContact O-N 2.95Å; R277-Q280 PolarHBondContact NH2-O 2.92Å; Q280-R304 VanDerWaalsContact CA-NH2 3.28Å; Q280-R304 PolarHBondContact O-NH2 3.32Å
281S94.6Very high86.4Confident10 Ų1034 Ų347%0.0719%0.188CC..SBendtrans-56.8144177-175.60000112.5L256 H259 R277 C279 G340L256-S281 WeakPolarHBondContact CD1-OG 3.33Å; H259-S281 PolarHBondContact O-N 2.92Å; R277-S281 PolarHBondContact NE-O 3.45Å; R277-S281 VanDerWaalsContact NH2-C 3.27Å; R277-S281 PolarHBondContact NH2-O 3.44Å; C279-S281 PolarHBondContact SG-O 3.26Å; S281-G340 WeakPolarHBondContact OG-CA 3.47Å; S281-G340 PolarHBondContact OG-N 2.62Å
282R95Very high84.1Confident79 Ų7932.8 Ų32.830%0.29819%0.193SC..  trans-61.1147165.162-171.5-174.7154-4.7110.4F284 G340R282-F284 HydrophobicContact CB-CE2 4.2Å; R282-F284 HydrophobicContact CG-CD2 4.48Å; R282-F284 HydrophobicContact CG-CE2 3.8Å; R282-G340 PolarHBondContact NE-O 3.02Å; R282-G340 PolarHBondContact NH2-O 3.06Å; R282-G340 PolarHBondContact O-N 3.11Å
283V97.3Very high81.6Confident0 Ų035.7 Ų35.70%021%0.214CC..EExtended strand (participates in β ladder)trans-132.9125175.9-172.50000107.5R277 L302 L337 C338 F339R277-V283 HydrophobicContact CG-CG2 4.04Å; V283-L302 HydrophobicContact CB-CB 4.44Å; V283-L302 HydrophobicContact CB-CD1 4.27Å; V283-L302 HydrophobicContact CG1-CD1 3.93Å; V283-L302 PolarHBondContact O-N 3.05Å; V283-L337 HydrophobicContact CG1-CB 4.11Å; V283-L337 HydrophobicContact CG1-CD2 4.43Å; V283-C338 CarbonylContact C-O 3.6Å; V283-C338 VanDerWaalsContact CA-O 3.3Å; V283-C338 WeakPolarHBondContact CA-O 3.48Å; V283-F339 HydrophobicContact CG1-CD1 4.3Å; V283-F339 HydrophobicContact CG1-CE1 4.1Å; V283-F339 HydrophobicContact CG1-CE2 4.45Å; V283-F339 HydrophobicContact CG1-CZ 4.18Å; V283-F339 HydrophobicContact CG2-CD1 3.56Å; V283-F339 HydrophobicContact CG2-CE1 3.64Å; V283-F339 HydrophobicContact CG2-CG 4.39Å
284F95.5Very high79Confident19 Ų1945 Ų458%0.08326%0.257CS..EExtended strand (participates in β ladder)trans-104.2143.4172.7-65.5-100000108.9R282 W300 K301 L337 C338 E341 E342 L343R282-F284 HydrophobicContact CB-CE2 4.2Å; R282-F284 HydrophobicContact CG-CD2 4.48Å; R282-F284 HydrophobicContact CG-CE2 3.8Å; F284-W300 CarbonylContact C-O 3.59Å; F284-W300 VanDerWaalsContact CA-O 3.32Å; F284-W300 WeakPolarHBondContact CA-O 3.33Å; F284-K301 HydrophobicContact CD1-CB 4.04Å; F284-K301 HydrophobicContact CE1-CB 3.88Å; F284-K301 HydrophobicContact CE1-CG 4.39Å; F284-K301 HydrophobicContact CZ-CB 4.49Å; F284-L337 CarbonylContact O-C 3.43Å; F284-L337 VanDerWaalsContact O-CA 3.26Å; F284-L337 WeakPolarHBondContact O-CA 3.32Å; F284-C338 HydrophobicContact CB-CB 4.42Å; F284-C338 PolarHBondContact N-O 3.31Å; F284-C338 PolarHBondContact O-N 3.17Å; F284-E341 WeakPolarHBondContact CD2-O 3.32Å; F284-E341 VanDerWaalsContact CE2-O 3.28Å; F284-E341 WeakPolarHBondContact CE2-O 3.44Å; F284-E342 HydrophobicContact CE1-CG 3.98Å; F284-E342 HydrophobicContact CE2-CB 4.25Å; F284-E342 HydrophobicContact CZ-CB 4.08Å; F284-E342 HydrophobicContact CZ-CG 3.92Å; F284-L343 HydrophobicContact CB-CB 3.92Å
285C93.7Very high76.3Confident0 Ų052.9 Ų52.90%029%0.287CS..EExtended strand (participates in β ladder)trans-122.1139.8-176.7-178.90000109.4P299 W300 L302 I310 V335 T336 L337C285-P299 CarbonylContact O-C 3.54Å; C285-P299 WeakPolarHBondContact O-CA 3.46Å; C285-W300 HydrophobicContact CB-CD2 4.26Å; C285-W300 HydrophobicContact CB-CH2 4.41Å; C285-W300 HydrophobicContact CB-CZ2 3.93Å; C285-W300 PolarHBondContact N-O 3.37Å; C285-W300 PolarHBondContact O-N 3.47Å; C285-W300 WeakPolarHBondContact SG-CZ2 3.29Å; C285-L302 HydrophobicContact CB-CD1 4.24Å; C285-L302 HydrophobicContact CB-CD2 3.69Å; C285-L302 HydrophobicContact CB-CG 3.95Å; C285-I310 VanDerWaalsContact SG-CG2 3.59Å; C285-V335 WeakPolarHBondContact SG-CG1 3.27Å; C285-T336 CarbonylContact C-O 3.5Å; C285-T336 WeakPolarHBondContact CA-O 3.46Å; C285-L337 HydrophobicContact CB-CD2 3.62Å; C285-L337 VanDerWaalsContact SG-CD2 3.59Å
286S90.3Very high74.1Confident6 Ų655.6 Ų55.64%0.04232%0.315CS..EExtended strand (participates in β ladder)trans-142.9138.5171.7-178.40000109.3S297 V335 T336 V346S286-S297 PolarHBondContact OG-O 3.35Å; S286-V335 CarbonylContact O-C 3.43Å; S286-V335 WeakPolarHBondContact O-CG1 3.36Å; S286-T336 PolarHBondContact N-O 3.42Å; S286-T336 PolarHBondContact O-N 3.39Å; S286-V346 WeakPolarHBondContact OG-CG2 3.46Å
287G83.4Confident72.4Confident16 Ų1653.6 Ų53.617%0.16531%0.31CS..EExtended strand (participates in β ladder)trans175.6-168.4-177.700000110.2G289 S297G287-G289 PolarHBondContact O-N 2.83Å; G287-S297 WeakPolarHBondContact O-CB 3.33Å; G287-S297 PolarHBondContact O-OG 2.82Å
288L70.5Confident71.2Confident55 Ų5560.2 Ų60.229%0.28834%0.343SS..SBendtrans-70.277.1174.6-164.767.4000110.2F316L288-F316 HydrophobicContact CD2-CB 4.02Å; L288-F316 HydrophobicContact CD2-CD2 4.27Å
289G54.1Low70.7Confident22 Ų2260 Ų6023%0.22734%0.343CS..  trans-129.7-7.2-148.600000118G287G287-G289 PolarHBondContact O-N 2.83Å
290D44.4Very low70.4Confident70 Ų7063.3 Ų63.337%0.37436%0.355SS..  trans-155.5149160.478.747.9000110.5S292D290-S292 PolarHBondContact O-N 2.91Å; D290-S292 WeakPolarHBondContact OD1-CA 3.38Å; D290-S292 WeakPolarHBondContact OD1-CB 3.37Å; D290-S292 PolarHBondContact OD1-N 3.49Å; D290-S292 PolarHBondContact OD1-OG 2.77Å; D290-S292 PolarHBondContact OD2-OG 2.86Å
291G44.8Very low70.3Confident71 Ų7163.2 Ų63.273%0.73235%0.353SS*.SBendtrans-85.529.2178.500000113.2
292S41Very low70.3Confident95 Ų9563 Ų6366%0.66435%0.351SS*.SBendtrans-108.4-0.8-168.977.70000116D290D290-S292 PolarHBondContact O-N 2.91Å; D290-S292 WeakPolarHBondContact OD1-CA 3.38Å; D290-S292 WeakPolarHBondContact OD1-CB 3.37Å; D290-S292 PolarHBondContact OD1-N 3.49Å; D290-S292 PolarHBondContact OD1-OG 2.77Å; D290-S292 PolarHBondContact OD2-OG 2.86Å
293S40.8Very low70.2Confident62 Ų6264.5 Ų64.543%0.43436%0.362SS..  trans-148142.7170.888.10000113.6Y295 G296S293-Y295 PolarHBondContact O-N 2.76Å; S293-Y295 VanDerWaalsContact O-N 3.16Å; S293-Y295 PolarHBondContact OG-N 3.45Å; S293-Y295 PolarHBondContact OG-O 2.7Å; S293-Y295 VanDerWaalsContact OG-O 3.13Å; S293-G296 PolarHBondContact OG-O 2.87Å; S293-G296 VanDerWaalsContact OG-O 3.07Å
294Q40.5Very low70Confident195 Ų19568.3 Ų68.391%0.91138%0.376SS*.SBendtrans-74.312.9166.3-59.8-179.833.900111.6
295Y39.2Very low69.9Low216 Ų21671.1 Ų71.185%0.84739%0.392SS*.SBendtrans-140.867.5-173.2-75.3-78.4000111S293S293-Y295 PolarHBondContact O-N 2.76Å; S293-Y295 VanDerWaalsContact O-N 3.16Å; S293-Y295 PolarHBondContact OG-N 3.45Å; S293-Y295 PolarHBondContact OG-O 2.7Å; S293-Y295 VanDerWaalsContact OG-O 3.13Å
296G51.5Low69.7Low58 Ų5873.5 Ų73.560%0.59841%0.409SS*.  trans66.5142.9168.300000115.6S293 M298S293-G296 PolarHBondContact OG-O 2.87Å; S293-G296 VanDerWaalsContact OG-O 3.07Å; G296-M298 PolarHBondContact O-N 3.29Å; G296-M298 VanDerWaalsContact O-N 3.14Å
297S62Low69.9Low27 Ų2777.5 Ų77.519%0.18943%0.433CS..  trans-75107.2172.2-172.40000109.1S286 G287 W300S286-S297 PolarHBondContact OG-O 3.35Å; G287-S297 WeakPolarHBondContact O-CB 3.33Å; G287-S297 PolarHBondContact O-OG 2.82Å; S297-W300 WeakPolarHBondContact OG-CZ3 3.45Å
298M72.9Confident70.4Confident145 Ų14578.9 Ų78.971%0.71444%0.437SS*.  trans-58.7134174.5-175.9-177.4170.400108.9G296 W300G296-M298 PolarHBondContact O-N 3.29Å; G296-M298 VanDerWaalsContact O-N 3.14Å; M298-W300 PolarHBondContact O-N 3.28Å
299P84.9Confident71.5Confident13 Ų1380.6 Ų80.68%0.08444%0.443CS..  trans-61.3137179.3-2030.7000111.9C285 L343 N344C285-P299 CarbonylContact O-C 3.54Å; C285-P299 WeakPolarHBondContact O-CA 3.46Å; P299-L343 HydrophobicContact CB-CB 3.91Å; P299-L343 HydrophobicContact CB-CD2 3.95Å; P299-L343 HydrophobicContact CB-CG 4.01Å; P299-L343 WeakPolarHBondContact CB-O 3.21Å; P299-L343 HydrophobicContact CG-CB 4.16Å; P299-L343 HydrophobicContact CG-CD2 3.96Å; P299-L343 HydrophobicContact CG-CG 3.81Å; P299-L343 VanDerWaalsContact CG-O 3.23Å; P299-L343 WeakPolarHBondContact CG-O 3.39Å; P299-N344 WeakPolarHBondContact CD-O 3.43Å
300W88.3Confident73.5Confident70 Ų7079.7 Ų79.727%0.26543%0.432SS..EExtended strand (participates in β ladder)trans-120150.1-179.567.598000111.5F284 C285 S297 M298 I310F284-W300 CarbonylContact C-O 3.59Å; F284-W300 VanDerWaalsContact CA-O 3.32Å; F284-W300 WeakPolarHBondContact CA-O 3.33Å; C285-W300 HydrophobicContact CB-CD2 4.26Å; C285-W300 HydrophobicContact CB-CH2 4.41Å; C285-W300 HydrophobicContact CB-CZ2 3.93Å; C285-W300 PolarHBondContact N-O 3.37Å; C285-W300 PolarHBondContact O-N 3.47Å; C285-W300 WeakPolarHBondContact SG-CZ2 3.29Å; S297-W300 WeakPolarHBondContact OG-CZ3 3.45Å; M298-W300 PolarHBondContact O-N 3.28Å; W300-I310 HydrophobicContact CZ2-CG2 4.2Å
301K92.6Very high75.8Confident99 Ų9976.4 Ų76.443%0.4342%0.415SS..EExtended strand (participates in β ladder)trans-76.8135.2177.8-176.1-175.9168.3-161.20110.3F284F284-K301 HydrophobicContact CD1-CB 4.04Å; F284-K301 HydrophobicContact CE1-CB 3.88Å; F284-K301 HydrophobicContact CE1-CG 4.39Å; F284-K301 HydrophobicContact CZ-CB 4.49Å
302L94.1Very high78.1Confident4 Ų474.3 Ų74.32%0.02139%0.387CS..PPolyproline II helixtrans-84.1125.4172.7-58.9-174.7000111I275 R277 V283 C285 V308 I310 L337I275-L302 HydrophobicContact CD1-CD1 4.07Å; I275-L302 HydrophobicContact CG2-CD1 3.98Å; R277-L302 HydrophobicContact CB-CB 4.39Å; R277-L302 VanDerWaalsContact CD-O 3.3Å; R277-L302 WeakPolarHBondContact CD-O 3.07Å; R277-L302 PolarHBondContact NH1-O 3.45Å; V283-L302 HydrophobicContact CB-CB 4.44Å; V283-L302 HydrophobicContact CB-CD1 4.27Å; V283-L302 HydrophobicContact CG1-CD1 3.93Å; V283-L302 PolarHBondContact O-N 3.05Å; C285-L302 HydrophobicContact CB-CD1 4.24Å; C285-L302 HydrophobicContact CB-CD2 3.69Å; C285-L302 HydrophobicContact CB-CG 3.95Å; L302-V308 HydrophobicContact CD2-CG2 3.89Å; L302-I310 HydrophobicContact CD2-CG2 4.26Å; L302-L337 HydrophobicContact CD1-CD2 4.07Å
303E92.1Very high80.5Confident112 Ų11269.9 Ų69.952%0.52336%0.356SS..PPolyproline II helixtrans-71.5142.2173.3-69.9-51.6138.600111.9
304R94.2Very high82.8Confident79 Ų7968.5 Ų68.530%0.29835%0.352SS..BIsolated β-bridgetrans-73.8142.8-178.2-162.1-172.7-75.8153.110.6109.5D101 C279 Q280 S306D101-R304 VanDerWaalsContact CG-NH2 3.35Å; D101-R304 IonicContact OD1-CZ 3.38Å; D101-R304 IonicContact OD1-NH2 3.5Å; D101-R304 PolarHBondContact OD1-NH2 3.4Å; D101-R304 IonicContact OD2-NH2 3.98Å; D101-R304 PolarHBondContact OD2-NH2 3.03Å; C279-R304 PolarHBondContact O-NE 2.96Å; Q280-R304 VanDerWaalsContact CA-NH2 3.28Å; Q280-R304 PolarHBondContact O-NH2 3.32Å; R304-S306 PolarHBondContact O-N 3.01Å
305D91.7Very high85.2Confident78 Ų7864 Ų6442%0.41733%0.326SS..THydrogen-bonded Turntrans6110.8177.1-57.2-64.6000114.9R262 K276 R277 L278R262-D305 IonicContact CZ-OD1 2.98Å; R262-D305 IonicContact NH1-OD1 3.87Å; R262-D305 IonicContact NH1-OD2 3.62Å; R262-D305 IonicContact NH2-OD1 2.71Å; R262-D305 PolarHBondContact NH2-OD1 2.79Å; R262-D305 VanDerWaalsContact NH2-OD1 3.17Å; K276-D305 WeakPolarHBondContact CE-O 3.39Å; R277-D305 PolarHBondContact O-N 2.89Å; L278-D305 WeakPolarHBondContact CD2-OD1 3.29Å
306S91.2Very high87.7Confident51 Ų5153.7 Ų53.736%0.35729%0.286SS..  trans-99.9141.6171.6-172.50000111.5K276 R304K276-S306 WeakPolarHBondContact CA-O 3.4Å; R304-S306 PolarHBondContact O-N 3.01Å
307V94.3Very high89.5Confident90 Ų9051.5 Ų51.555%0.54526%0.26SS..EExtended strand (participates in β ladder)trans-91.8125.4172.2-179.20000108.1F274 I275 K276F274-V307 HydrophobicContact CB-CG1 4.41Å; F274-V307 HydrophobicContact CD1-CG1 4.45Å; I275-V307 WeakPolarHBondContact O-CA 3.09Å; K276-V307 HydrophobicContact CB-CG2 4.18Å; K276-V307 HydrophobicContact CD-CG2 3.96Å; K276-V307 HydrophobicContact CG-CG2 4.22Å
308V93.8Very high90.8Very high44 Ų4456.3 Ų56.327%0.26728%0.28SS..EExtended strand (participates in β ladder)trans-133.8147.4179.5-61.70000111.2F274 I275 L302 I310F274-V308 WeakPolarHBondContact CA-O 3.35Å; I275-V308 HydrophobicContact CG2-CG2 3.63Å; I275-V308 PolarHBondContact N-O 2.87Å; I275-V308 PolarHBondContact O-N 3.36Å; L302-V308 HydrophobicContact CD2-CG2 3.89Å; V308-I310 HydrophobicContact CG2-CG2 4.08Å
309K94.2Very high91.6Very high92 Ų9250.1 Ų50.140%0.425%0.252SS..EExtended strand (participates in β ladder)trans-84122.7171.6-176.1170.958.1173.20109I273 F274 F311 D312I273-K309 CarbonylContact O-C 3.4Å; I273-K309 WeakPolarHBondContact O-CA 3.3Å; F274-K309 HydrophobicContact CD1-CB 4Å; F274-K309 HydrophobicContact CE1-CB 3.8Å; F274-K309 HydrophobicContact CE1-CD 4.26Å; F274-K309 HydrophobicContact CE1-CG 4.19Å; F274-K309 HydrophobicContact CZ-CB 4.39Å; F274-K309 HydrophobicContact CZ-CD 4.03Å; F274-K309 HydrophobicContact CZ-CG 4.28Å; K309-F311 VanDerWaalsContact CG-O 3.22Å; K309-F311 WeakPolarHBondContact CG-O 3.33Å; K309-D312 HydrophobicContact CD-CB 4.46Å; K309-D312 WeakPolarHBondContact CE-OD2 3.4Å; K309-D312 IonicContact NZ-OD2 2.71Å; K309-D312 PolarHBondContact NZ-OD2 2.87Å
310I94.6Very high91.9Very high2 Ų249.6 Ų49.61%0.0125%0.248CC..EExtended strand (participates in β ladder)trans-110.2-14.3-17754.7168.2000113.6I273 I275 C285 W300 L302 V308 V335 I358I273-I310 HydrophobicContact CB-CD1 4.5Å; I273-I310 HydrophobicContact CB-CG1 4.02Å; I273-I310 HydrophobicContact CG2-CD1 3.86Å; I273-I310 HydrophobicContact CG2-CG1 3.86Å; I273-I310 WeakPolarHBondContact O-CG1 3.48Å; I273-I310 PolarHBondContact O-N 2.62Å; I275-I310 HydrophobicContact CB-CD1 3.95Å; I275-I310 HydrophobicContact CB-CG1 4.44Å; I275-I310 HydrophobicContact CD1-CD1 4.3Å; I275-I310 HydrophobicContact CG2-CB 4.41Å; I275-I310 HydrophobicContact CG2-CD1 3.94Å; I275-I310 HydrophobicContact CG2-CG1 4.15Å; I275-I310 HydrophobicContact CG2-CG2 3.42Å; I275-I310 VanDerWaalsContact CG2-CG2 3.42Å; C285-I310 VanDerWaalsContact SG-CG2 3.59Å; W300-I310 HydrophobicContact CZ2-CG2 4.2Å; L302-I310 HydrophobicContact CD2-CG2 4.26Å; V308-I310 HydrophobicContact CG2-CG2 4.08Å; I310-V335 HydrophobicContact CB-CG1 4.22Å; I310-V335 HydrophobicContact CD1-CB 4.48Å; I310-V335 HydrophobicContact CD1-CG1 4.08Å; I310-V335 HydrophobicContact CG1-CG1 4.48Å; I310-V335 WeakPolarHBondContact O-CG2 3.47Å; I310-I358 HydrophobicContact CD1-CD1 4.5Å
311F93.9Very high91.9Very high1 Ų150.5 Ų50.50%0.00426%0.255CS..EExtended strand (participates in β ladder)trans-137.5135.5171.8-175.3-91.8000108.2G272 I273 K309 F316 V335 M360 C363G272-F311 WeakPolarHBondContact CA-O 3.28Å; I273-F311 HydrophobicContact CB-CB 3.75Å; I273-F311 HydrophobicContact CD1-CB 3.83Å; I273-F311 HydrophobicContact CD1-CG 4.18Å; I273-F311 HydrophobicContact CG1-CB 3.72Å; I273-F311 HydrophobicContact CG1-CD1 4.34Å; I273-F311 HydrophobicContact CG1-CG 4.26Å; I273-F311 PolarHBondContact N-O 3.21Å; I273-F311 VanDerWaalsContact N-O 3.11Å; I273-F311 PolarHBondContact O-N 3.23Å; K309-F311 VanDerWaalsContact CG-O 3.22Å; K309-F311 WeakPolarHBondContact CG-O 3.33Å; F311-F316 HydrophobicContact CE1-CB 4.08Å; F311-F316 HydrophobicContact CE1-CG 4.47Å; F311-F316 HydrophobicContact CE2-CB 4.44Å; F311-F316 HydrophobicContact CE2-CD2 4.21Å; F311-F316 HydrophobicContact CZ-CB 3.62Å; F311-F316 AromaticContact CZ-CD2 3.74Å; F311-F316 HydrophobicContact CZ-CD2 3.74Å; F311-F316 AromaticContact CZ-CG 3.72Å; F311-F316 HydrophobicContact CZ-CG 3.72Å; F311-V335 HydrophobicContact CB-CG2 3.78Å; F311-V335 HydrophobicContact CD2-CG2 3.99Å; F311-V335 HydrophobicContact CG-CG2 4.37Å; F311-M360 HydrophobicContact CD1-SD 3.6Å; F311-M360 HydrophobicContact CE1-CB 4.19Å; F311-M360 HydrophobicContact CE1-CG 4.45Å; F311-M360 HydrophobicContact CE1-SD 3.55Å; F311-M360 VanDerWaalsContact CE1-SD 3.55Å; F311-M360 HydrophobicContact CZ-CB 4.4Å; F311-C363 HydrophobicContact CZ-CB 4.22Å
312D91.9Very high91.8Very high27 Ų2748.9 Ų48.914%0.14425%0.251CS..EExtended strand (participates in β ladder)trans-115.2110.9178-172.3-57.9000109.6K309 G314 R315 F316K309-D312 HydrophobicContact CD-CB 4.46Å; K309-D312 WeakPolarHBondContact CE-OD2 3.4Å; K309-D312 IonicContact NZ-OD2 2.71Å; K309-D312 PolarHBondContact NZ-OD2 2.87Å; D312-G314 VanDerWaalsContact C-N 3.3Å; D312-G314 PolarHBondContact O-N 2.69Å; D312-G314 WeakPolarHBondContact OD1-CA 3.16Å; D312-G314 PolarHBondContact OD1-N 2.79Å; D312-R315 HydrophobicContact CB-CB 4.06Å; D312-R315 HydrophobicContact CB-CG 4.05Å; D312-R315 PolarHBondContact O-N 3.34Å; D312-R315 PolarHBondContact OD1-N 2.75Å; D312-F316 PolarHBondContact O-N 3.14Å
313T91.4Very high91.5Very high2 Ų250.2 Ų50.21%0.01226%0.256CS..Hα-helixtrans-61.7-38.7-178-61.10000111.7Q270 E271 G272 F316 F317Q270-T313 VanDerWaalsContact O-CB 3.23Å; Q270-T313 WeakPolarHBondContact O-CB 3.38Å; Q270-T313 WeakPolarHBondContact O-CG2 3.37Å; Q270-T313 PolarHBondContact O-OG1 3.23Å; E271-T313 PolarHBondContact O-N 3.07Å; E271-T313 PolarHBondContact O-OG1 3.39Å; G272-T313 WeakPolarHBondContact CA-OG1 2.96Å; G272-T313 PolarHBondContact N-OG1 2.79Å; T313-F316 WeakPolarHBondContact O-CB 3.35Å; T313-F316 PolarHBondContact O-N 2.74Å; T313-F317 HydrophobicContact CG2-CD2 3.76Å; T313-F317 HydrophobicContact CG2-CE2 3.23Å; T313-F317 HydrophobicContact CG2-CZ 4.04Å; T313-F317 WeakPolarHBondContact O-CD2 2.91Å; T313-F317 PolarHBondContact O-N 3.2Å
314G90.3Very high91.3Very high34 Ų3449.8 Ų49.835%0.35125%0.254SS..Hα-helixtrans-64.7-43.617900000112.2D312 F317 Q318D312-G314 VanDerWaalsContact C-N 3.3Å; D312-G314 PolarHBondContact O-N 2.69Å; D312-G314 WeakPolarHBondContact OD1-CA 3.16Å; D312-G314 PolarHBondContact OD1-N 2.79Å; G314-F317 PolarHBondContact O-N 3.3Å; G314-Q318 WeakPolarHBondContact O-CG 3.23Å; G314-Q318 PolarHBondContact O-N 2.55Å
315R89.8Confident91.1Very high100 Ų10051 Ų5138%0.37726%0.263SS..Hα-helixtrans-64.6-39.7174.4-70.5-174.1-178.8156.50.3112.3D312 F317 Q318 A319D312-R315 HydrophobicContact CB-CB 4.06Å; D312-R315 HydrophobicContact CB-CG 4.05Å; D312-R315 PolarHBondContact O-N 3.34Å; D312-R315 PolarHBondContact OD1-N 2.75Å; R315-F317 VanDerWaalsContact C-N 3.29Å; R315-F317 PolarHBondContact O-N 3.13Å; R315-Q318 PolarHBondContact O-N 2.87Å; R315-A319 WeakPolarHBondContact O-CB 3.18Å; R315-A319 PolarHBondContact O-N 3.4Å
316F91.7Very high90.9Very high0 Ų050 Ų500%027%0.271CS..Hα-helixtrans-57.6-44.9174.4177.4-93.5000111L288 F311 D312 T313 A319 L320 P331 P333 C363 L367L288-F316 HydrophobicContact CD2-CB 4.02Å; L288-F316 HydrophobicContact CD2-CD2 4.27Å; F311-F316 HydrophobicContact CE1-CB 4.08Å; F311-F316 HydrophobicContact CE1-CG 4.47Å; F311-F316 HydrophobicContact CE2-CB 4.44Å; F311-F316 HydrophobicContact CE2-CD2 4.21Å; F311-F316 HydrophobicContact CZ-CB 3.62Å; F311-F316 AromaticContact CZ-CD2 3.74Å; F311-F316 HydrophobicContact CZ-CD2 3.74Å; F311-F316 AromaticContact CZ-CG 3.72Å; F311-F316 HydrophobicContact CZ-CG 3.72Å; D312-F316 PolarHBondContact O-N 3.14Å; T313-F316 WeakPolarHBondContact O-CB 3.35Å; T313-F316 PolarHBondContact O-N 2.74Å; F316-A319 CarbonylContact O-C 3.44Å; F316-A319 PolarHBondContact O-N 3.07Å; F316-L320 HydrophobicContact CE1-CB 4.44Å; F316-L320 HydrophobicContact CE1-CD1 4.36Å; F316-L320 HydrophobicContact CE1-CD2 4.01Å; F316-L320 HydrophobicContact CZ-CD1 4.23Å; F316-L320 WeakPolarHBondContact O-CB 3.44Å; F316-L320 PolarHBondContact O-N 3.21Å; F316-P331 HydrophobicContact CD2-CB 3.87Å; F316-P331 HydrophobicContact CD2-CG 4.13Å; F316-P331 HydrophobicContact CE2-CB 3.78Å; F316-P331 HydrophobicContact CE2-CG 3.69Å; F316-P331 HydrophobicContact CZ-CG 4.11Å; F316-P333 HydrophobicContact CE2-CB 3.91Å; F316-P333 HydrophobicContact CZ-CB 4.23Å; F316-C363 HydrophobicContact CD1-CB 3.79Å; F316-C363 HydrophobicContact CD2-CB 4.44Å; F316-C363 HydrophobicContact CE1-CB 3.46Å; F316-C363 VanDerWaalsContact CE1-CB 3.46Å; F316-C363 HydrophobicContact CE2-CB 4.15Å; F316-C363 HydrophobicContact CG-CB 4.27Å; F316-C363 HydrophobicContact CZ-CB 3.66Å; F316-C363 WeakPolarHBondContact CZ-O 3.14Å; F316-L367 HydrophobicContact CZ-CB 4.41Å
317F89.7Confident90.7Very high12 Ų1253.7 Ų53.75%0.05328%0.283CS..Hα-helixtrans-66.8-39.6178.5-72-49.8000114.8T313 G314 R315 A319 L320 Q321 M366 Y399 L402T313-F317 HydrophobicContact CG2-CD2 3.76Å; T313-F317 HydrophobicContact CG2-CE2 3.23Å; T313-F317 HydrophobicContact CG2-CZ 4.04Å; T313-F317 WeakPolarHBondContact O-CD2 2.91Å; T313-F317 PolarHBondContact O-N 3.2Å; G314-F317 PolarHBondContact O-N 3.3Å; R315-F317 VanDerWaalsContact C-N 3.29Å; R315-F317 PolarHBondContact O-N 3.13Å; F317-A319 VanDerWaalsContact C-N 3.3Å; F317-A319 PolarHBondContact O-N 3.28Å; F317-L320 HydrophobicContact CD1-CD2 4.21Å; F317-L320 WeakPolarHBondContact O-CB 3.31Å; F317-L320 PolarHBondContact O-N 2.82Å; F317-Q321 PolarHBondContact O-N 2.86Å; F317-M366 HydrophobicContact CD1-CE 4.36Å; F317-M366 HydrophobicContact CE1-CE 3.13Å; F317-M366 HydrophobicContact CE1-SD 3.46Å; F317-M366 WeakPolarHBondContact CE1-SD 3.5Å; F317-M366 HydrophobicContact CZ-CE 3.35Å; F317-M366 HydrophobicContact CZ-SD 3.83Å; F317-Y399 AromaticContact CD1-CD2 3.59Å; F317-Y399 HydrophobicContact CD1-CD2 3.59Å; F317-Y399 AromaticContact CD1-CE2 3.64Å; F317-Y399 HydrophobicContact CD1-CE2 3.64Å; F317-Y399 AromaticContact CE1-CD2 3.6Å; F317-Y399 HydrophobicContact CE1-CD2 3.6Å; F317-Y399 HydrophobicContact CE1-CE2 4.13Å; F317-Y399 HydrophobicContact CG-CD2 4.44Å; F317-Y399 HydrophobicContact CG-CE2 4.36Å; F317-Y399 HydrophobicContact CZ-CD2 4.45Å; F317-L402 HydrophobicContact CD2-CB 4.24Å; F317-L402 HydrophobicContact CD2-CD1 4.3Å; F317-L402 HydrophobicContact CE2-CB 4.01Å; F317-L402 HydrophobicContact CE2-CD1 3.33Å; F317-L402 HydrophobicContact CE2-CG 4.21Å; F317-L402 HydrophobicContact CZ-CD1 3.84Å
318Q90.2Very high90.4Very high128 Ų12852.9 Ų52.960%0.59827%0.274SS*.Hα-helixtrans-59.4-45.9173.2-69.8170.11600110.4G314 R315 L320 Q321 L322G314-Q318 WeakPolarHBondContact O-CG 3.23Å; G314-Q318 PolarHBondContact O-N 2.55Å; R315-Q318 PolarHBondContact O-N 2.87Å; Q318-L320 VanDerWaalsContact C-N 3.33Å; Q318-L320 PolarHBondContact O-N 2.82Å; Q318-Q321 PolarHBondContact O-N 2.74Å; Q318-L322 WeakPolarHBondContact O-CG 3.36Å; Q318-L322 PolarHBondContact O-N 2.85Å
319A89.8Confident90.1Very high15 Ų1554.8 Ų54.812%0.12430%0.295CS..Hα-helixtrans-64.1-38175.100000112.1R315 F316 F317 Q321 L322 Y323 I328 P331R315-A319 WeakPolarHBondContact O-CB 3.18Å; R315-A319 PolarHBondContact O-N 3.4Å; F316-A319 CarbonylContact O-C 3.44Å; F316-A319 PolarHBondContact O-N 3.07Å; F317-A319 VanDerWaalsContact C-N 3.3Å; F317-A319 PolarHBondContact O-N 3.28Å; A319-Q321 VanDerWaalsContact C-N 3.34Å; A319-Q321 PolarHBondContact O-N 3.08Å; A319-L322 PolarHBondContact O-N 2.8Å; A319-Y323 WeakPolarHBondContact O-CB 3.46Å; A319-Y323 PolarHBondContact O-N 3.29Å; A319-I328 HydrophobicContact CB-CD1 3.85Å; A319-I328 WeakPolarHBondContact O-CD1 3.22Å; A319-P331 HydrophobicContact CB-CB 3.81Å; A319-P331 HydrophobicContact CB-CG 4.26Å
320L89.9Confident89.8Confident1 Ų152.8 Ų52.81%0.00530%0.295CS..Hα-helixtrans-64.7-38.8177.9-166.268.7000111.9F316 F317 Q318 Y323 Q324 P331 M366 L367 L370 Y399F316-L320 HydrophobicContact CE1-CB 4.44Å; F316-L320 HydrophobicContact CE1-CD1 4.36Å; F316-L320 HydrophobicContact CE1-CD2 4.01Å; F316-L320 HydrophobicContact CZ-CD1 4.23Å; F316-L320 WeakPolarHBondContact O-CB 3.44Å; F316-L320 PolarHBondContact O-N 3.21Å; F317-L320 HydrophobicContact CD1-CD2 4.21Å; F317-L320 WeakPolarHBondContact O-CB 3.31Å; F317-L320 PolarHBondContact O-N 2.82Å; Q318-L320 VanDerWaalsContact C-N 3.33Å; Q318-L320 PolarHBondContact O-N 2.82Å; L320-Y323 WeakPolarHBondContact O-CB 3.49Å; L320-Y323 PolarHBondContact O-N 3.47Å; L320-Q324 WeakPolarHBondContact O-CB 3.45Å; L320-Q324 PolarHBondContact O-N 2.9Å; L320-P331 HydrophobicContact CB-CG 4.24Å; L320-P331 HydrophobicContact CD1-CG 3.87Å; L320-M366 HydrophobicContact CD2-CB 4.19Å; L320-L367 HydrophobicContact CD1-CB 4.17Å; L320-L367 HydrophobicContact CD1-CD1 3.59Å; L320-L367 HydrophobicContact CD1-CG 4.48Å; L320-L370 HydrophobicContact CD1-CD1 3.69Å; L320-L370 HydrophobicContact CD2-CD1 3.6Å; L320-L370 HydrophobicContact CG-CD1 3.43Å; L320-L370 VanDerWaalsContact CG-CD1 3.43Å; L320-Y399 HydrophobicContact CD2-CE2 4.22Å
321Q89.1Confident89.7Confident90 Ų9053.2 Ų53.242%0.42130%0.298SS..Hα-helixtrans-65.6-48.1174.3-176.3-178.6-1500111.3F317 Q318 A319 Y323 Q324 E325F317-Q321 PolarHBondContact O-N 2.86Å; Q318-Q321 PolarHBondContact O-N 2.74Å; A319-Q321 VanDerWaalsContact C-N 3.34Å; A319-Q321 PolarHBondContact O-N 3.08Å; Q321-Y323 PolarHBondContact O-N 3.05Å; Q321-Q324 WeakPolarHBondContact O-CB 3.33Å; Q321-Q324 PolarHBondContact O-N 2.9Å; Q321-Q324 VanDerWaalsContact O-N 3.07Å; Q321-E325 WeakPolarHBondContact CG-OE1 3.09Å; Q321-E325 PolarHBondContact NE2-OE1 3.28Å; Q321-E325 VanDerWaalsContact NE2-OE1 3.12Å; Q321-E325 WeakPolarHBondContact O-CG 3.33Å; Q321-E325 PolarHBondContact O-N 2.61Å
322L89.4Confident89.6Confident65 Ų6557 Ų5734%0.3432%0.318SS..Hα-helixtrans-60.4-37.3175.4-68.3173.5000111.7Q318 A319 E325 G326 Q327 I328Q318-L322 WeakPolarHBondContact O-CG 3.36Å; Q318-L322 PolarHBondContact O-N 2.85Å; A319-L322 PolarHBondContact O-N 2.8Å; L322-E325 PolarHBondContact O-N 2.97Å; L322-G326 PolarHBondContact O-N 3.43Å; L322-Q327 HydrophobicContact CB-CB 4.43Å; L322-Q327 PolarHBondContact O-N 3.04Å; L322-I328 HydrophobicContact CB-CD1 3.86Å; L322-I328 HydrophobicContact CB-CG1 3.74Å; L322-I328 HydrophobicContact CB-CG2 4.37Å; L322-I328 HydrophobicContact CD1-CD1 4.38Å
323Y89Confident89.7Confident32 Ų3256.3 Ų56.313%0.12532%0.316CS..Hα-helixtrans-62.8-45.6173173.1-110.6000111A319 L320 Q321 E325 G326 I328 A329 A330 L367 N371 R374A319-Y323 WeakPolarHBondContact O-CB 3.46Å; A319-Y323 PolarHBondContact O-N 3.29Å; L320-Y323 WeakPolarHBondContact O-CB 3.49Å; L320-Y323 PolarHBondContact O-N 3.47Å; Q321-Y323 PolarHBondContact O-N 3.05Å; Y323-E325 VanDerWaalsContact C-N 3.27Å; Y323-E325 PolarHBondContact O-N 2.85Å; Y323-G326 WeakPolarHBondContact O-CA 3.44Å; Y323-G326 PolarHBondContact O-N 2.91Å; Y323-I328 WeakPolarHBondContact CD2-O 3.36Å; Y323-A329 VanDerWaalsContact CD2-C 3.49Å; Y323-A330 VanDerWaalsContact CD2-CA 3.43Å; Y323-A330 HydrophobicContact CD2-CB 4.04Å; Y323-A330 VanDerWaalsContact CD2-N 3.28Å; Y323-A330 HydrophobicContact CE1-CB 4.34Å; Y323-A330 HydrophobicContact CE2-CB 3.73Å; Y323-A330 HydrophobicContact CG-CB 4.46Å; Y323-L367 HydrophobicContact CD1-CD1 4.05Å; Y323-L367 HydrophobicContact CE1-CD1 3.96Å; Y323-N371 VanDerWaalsContact CE1-OD1 3.3Å; Y323-N371 WeakPolarHBondContact CE1-OD1 3.28Å; Y323-N371 PolarHBondContact OH-OD1 2.82Å; Y323-R374 PolarHBondContact O-NH2 3.33Å; Y323-R374 PolarHBondContact OH-NH1 3.45Å; Y323-R374 VanDerWaalsContact OH-NH1 3.12Å
324Q88.2Confident89.8Confident102 Ų10256.6 Ų56.648%0.47732%0.317SS..Hα-helixtrans-58-40177.3-179.1178.2-16.200111.8L320 Q321 G326 R374L320-Q324 WeakPolarHBondContact O-CB 3.45Å; L320-Q324 PolarHBondContact O-N 2.9Å; Q321-Q324 WeakPolarHBondContact O-CB 3.33Å; Q321-Q324 PolarHBondContact O-N 2.9Å; Q321-Q324 VanDerWaalsContact O-N 3.07Å; Q324-G326 PolarHBondContact O-N 3.41Å; Q324-R374 PolarHBondContact O-NH2 3.23Å
325E89.2Confident90Very high106 Ų10655 Ų5550%0.49530%0.301SS..THydrogen-bonded Turntrans-75.6-4.1175.6-65.9169.5-16700113.6Q321 L322 Y323 Q327Q321-E325 WeakPolarHBondContact CG-OE1 3.09Å; Q321-E325 PolarHBondContact NE2-OE1 3.28Å; Q321-E325 VanDerWaalsContact NE2-OE1 3.12Å; Q321-E325 WeakPolarHBondContact O-CG 3.33Å; Q321-E325 PolarHBondContact O-N 2.61Å; L322-E325 PolarHBondContact O-N 2.97Å; Y323-E325 VanDerWaalsContact C-N 3.27Å; Y323-E325 PolarHBondContact O-N 2.85Å; E325-Q327 VanDerWaalsContact C-N 3.34Å; E325-Q327 HydrophobicContact CB-CG 4.07Å; E325-Q327 PolarHBondContact OE2-NE2 3.33Å
326G87.9Confident90.3Very high57 Ų5750.8 Ų50.859%0.58829%0.286SS*.THydrogen-bonded Turntrans78.514.2177.100000114.5L322 Y323 Q324L322-G326 PolarHBondContact O-N 3.43Å; Y323-G326 WeakPolarHBondContact O-CA 3.44Å; Y323-G326 PolarHBondContact O-N 2.91Å; Q324-G326 PolarHBondContact O-N 3.41Å
327Q87.3Confident90.6Very high128 Ų12850.8 Ų50.860%0.59829%0.286SS*.SBendtrans-82.7-31.8-175.2-57.4-165.741.600113.3L322 E325L322-Q327 HydrophobicContact CB-CB 4.43Å; L322-Q327 PolarHBondContact O-N 3.04Å; E325-Q327 VanDerWaalsContact C-N 3.34Å; E325-Q327 HydrophobicContact CB-CG 4.07Å; E325-Q327 PolarHBondContact OE2-NE2 3.33Å
328I86.7Confident90.9Very high73 Ų7350.2 Ų50.237%0.37428%0.284SS..SBendtrans-131.7170-178.467.1167.9000111.3A319 L322 Y323A319-I328 HydrophobicContact CB-CD1 3.85Å; A319-I328 WeakPolarHBondContact O-CD1 3.22Å; L322-I328 HydrophobicContact CB-CD1 3.86Å; L322-I328 HydrophobicContact CB-CG1 3.74Å; L322-I328 HydrophobicContact CB-CG2 4.37Å; L322-I328 HydrophobicContact CD1-CD1 4.38Å; Y323-I328 WeakPolarHBondContact CD2-O 3.36Å
329A88.4Confident91.3Very high84 Ų8444.1 Ų44.169%0.69426%0.255SS*.PPolyproline II helixtrans-71.6164169.500000111.7Y323Y323-A329 VanDerWaalsContact CD2-C 3.49Å
330A88.5Confident91.5Very high50 Ų5044.4 Ų44.441%0.41326%0.26SS..PPolyproline II helixtrans-58130.4-179.500000111.2Y323 L367Y323-A330 VanDerWaalsContact CD2-CA 3.43Å; Y323-A330 HydrophobicContact CD2-CB 4.04Å; Y323-A330 VanDerWaalsContact CD2-N 3.28Å; Y323-A330 HydrophobicContact CE1-CB 4.34Å; Y323-A330 HydrophobicContact CE2-CB 3.73Å; Y323-A330 HydrophobicContact CG-CB 4.46Å; A330-L367 HydrophobicContact CB-CD1 4.12Å; A330-L367 HydrophobicContact CB-CD2 4.47Å
331P91.5Very high91.6Very high10 Ų1046.8 Ų46.87%0.06527%0.271CS..PPolyproline II helixtrans-69.6140.3175.928.8-34.9000111F316 A319 L320 P333 L367F316-P331 HydrophobicContact CD2-CB 3.87Å; F316-P331 HydrophobicContact CD2-CG 4.13Å; F316-P331 HydrophobicContact CE2-CB 3.78Å; F316-P331 HydrophobicContact CE2-CG 3.69Å; F316-P331 HydrophobicContact CZ-CG 4.11Å; A319-P331 HydrophobicContact CB-CB 3.81Å; A319-P331 HydrophobicContact CB-CG 4.26Å; L320-P331 HydrophobicContact CB-CG 4.24Å; L320-P331 HydrophobicContact CD1-CG 3.87Å; P331-P333 WeakPolarHBondContact O-CD 3.25Å; P331-L367 WeakPolarHBondContact O-CD2 3.31Å
332D90.9Very high91.6Very high81 Ų8147.5 Ų47.543%0.43327%0.274SS..PPolyproline II helixtrans-79.1122.3174.3-170.5-11.8000110S334D332-S334 PolarHBondContact O-N 3.26Å; D332-S334 WeakPolarHBondContact OD1-CA 3.4Å; D332-S334 WeakPolarHBondContact OD1-CB 3.37Å; D332-S334 PolarHBondContact OD1-N 2.95Å; D332-S334 PolarHBondContact OD1-OG 3.22Å
333P94.2Very high91.4Very high13 Ų1344.6 Ų44.68%0.08426%0.259CS..  trans-77.27.1175.433.7-37.4000113.3F316 P331 T359 M360 C363 Q364F316-P333 HydrophobicContact CE2-CB 3.91Å; F316-P333 HydrophobicContact CZ-CB 4.23Å; P331-P333 WeakPolarHBondContact O-CD 3.25Å; P333-T359 HydrophobicContact CB-CG2 4.21Å; P333-T359 HydrophobicContact CG-CG2 4.01Å; P333-M360 PolarHBondContact O-N 2.89Å; P333-C363 HydrophobicContact CB-CB 3.79Å; P333-Q364 HydrophobicContact CB-CB 4.18Å; P333-Q364 HydrophobicContact CG-CB 3.93Å; P333-Q364 HydrophobicContact CG-CG 4.44Å
334S94.3Very high90.8Very high7 Ų748.4 Ų48.45%0.04928%0.282CS..EExtended strand (participates in β ladder)trans-116155.9-171.9-38.70000113.8D332 Q357 I358 T359D332-S334 PolarHBondContact O-N 3.26Å; D332-S334 WeakPolarHBondContact OD1-CA 3.4Å; D332-S334 WeakPolarHBondContact OD1-CB 3.37Å; D332-S334 PolarHBondContact OD1-N 2.95Å; D332-S334 PolarHBondContact OD1-OG 3.22Å; S334-Q357 PolarHBondContact OG-NE2 2.91Å; S334-I358 CarbonylContact C-O 3.5Å; S334-I358 WeakPolarHBondContact CA-O 3.46Å; S334-T359 WeakPolarHBondContact CB-OG1 3.43Å; S334-T359 PolarHBondContact OG-OG1 3.17Å
335V94.8Very high90.3Very high0 Ų047.5 Ų47.50%028%0.28CS..EExtended strand (participates in β ladder)trans-120.8138.2168.2-177.30000108.9C285 S286 I310 F311 L337 Q357 I358C285-V335 WeakPolarHBondContact SG-CG1 3.27Å; S286-V335 CarbonylContact O-C 3.43Å; S286-V335 WeakPolarHBondContact O-CG1 3.36Å; I310-V335 HydrophobicContact CB-CG1 4.22Å; I310-V335 HydrophobicContact CD1-CB 4.48Å; I310-V335 HydrophobicContact CD1-CG1 4.08Å; I310-V335 HydrophobicContact CG1-CG1 4.48Å; I310-V335 WeakPolarHBondContact O-CG2 3.47Å; F311-V335 HydrophobicContact CB-CG2 3.78Å; F311-V335 HydrophobicContact CD2-CG2 3.99Å; F311-V335 HydrophobicContact CG-CG2 4.37Å; V335-L337 HydrophobicContact CG1-CD2 4.37Å; V335-Q357 CarbonylContact O-C 3.54Å; V335-Q357 WeakPolarHBondContact O-CA 3.32Å; V335-I358 PolarHBondContact N-O 3.12Å; V335-I358 PolarHBondContact O-N 2.92Å
336T95.6Very high89.7Confident12 Ų1245.6 Ų45.67%0.07428%0.275CS..EExtended strand (participates in β ladder)trans-105.3126.4177.1-620000110.1C285 S286 L343 I355C285-T336 CarbonylContact C-O 3.5Å; C285-T336 WeakPolarHBondContact CA-O 3.46Å; S286-T336 PolarHBondContact N-O 3.42Å; S286-T336 PolarHBondContact O-N 3.39Å; T336-L343 HydrophobicContact CG2-CD2 4.37Å; T336-I355 HydrophobicContact CG2-CD1 4.37Å; T336-I355 HydrophobicContact CG2-CG2 3.74Å
337L97.3Very high89.3Confident0 Ų047 Ų470%028%0.276CS..EExtended strand (participates in β ladder)trans-110.7129.1171.6-54.8177.3000110.1I275 V283 F284 C285 L302 V335 F339 I355 L356 I358I275-L337 HydrophobicContact CD1-CD1 3.4Å; I275-L337 HydrophobicContact CD1-CD2 4.38Å; V283-L337 HydrophobicContact CG1-CB 4.11Å; V283-L337 HydrophobicContact CG1-CD2 4.43Å; F284-L337 CarbonylContact O-C 3.43Å; F284-L337 VanDerWaalsContact O-CA 3.26Å; F284-L337 WeakPolarHBondContact O-CA 3.32Å; C285-L337 HydrophobicContact CB-CD2 3.62Å; C285-L337 VanDerWaalsContact SG-CD2 3.59Å; L302-L337 HydrophobicContact CD1-CD2 4.07Å; V335-L337 HydrophobicContact CG1-CD2 4.37Å; L337-F339 HydrophobicContact CB-CE2 3.86Å; L337-F339 HydrophobicContact CB-CZ 4.39Å; L337-I355 CarbonylContact O-C 3.5Å; L337-I355 WeakPolarHBondContact O-CA 3.44Å; L337-L356 HydrophobicContact CB-CB 4.23Å; L337-L356 HydrophobicContact CD1-CD2 4.14Å; L337-L356 PolarHBondContact N-O 2.85Å; L337-L356 PolarHBondContact O-N 3.25Å; L337-I358 HydrophobicContact CD1-CD1 3.67Å; L337-I358 HydrophobicContact CG-CD1 4.41Å
338C97.4Very high89.2Confident0 Ų042.2 Ų42.20%026%0.257CS..EExtended strand (participates in β ladder)trans-111124.6175.7-177.30000110.2V283 F284 E341 L343 I355V283-C338 CarbonylContact C-O 3.6Å; V283-C338 VanDerWaalsContact CA-O 3.3Å; V283-C338 WeakPolarHBondContact CA-O 3.48Å; F284-C338 HydrophobicContact CB-CB 4.42Å; F284-C338 PolarHBondContact N-O 3.31Å; F284-C338 PolarHBondContact O-N 3.17Å; C338-E341 PolarHBondContact SG-O 2.87Å; C338-L343 HydrophobicContact CB-CB 3.95Å; C338-L343 HydrophobicContact CB-CD1 4.25Å; C338-L343 HydrophobicContact CB-CD2 4.09Å; C338-L343 HydrophobicContact CB-CG 4.33Å; C338-I355 HydrophobicContact CB-CD1 3.63Å
339F98Very high89.2Confident1 Ų139.5 Ų39.50%0.00425%0.245CC..EExtended strand (participates in β ladder)trans-101.5133.2-176.6-66.3-101.4000110.9F238 L256 L260 V264 V283 L337 E341 I354 L356F238-F339 HydrophobicContact CE1-CE2 4.33Å; F238-F339 HydrophobicContact CE1-CZ 4.42Å; F238-F339 HydrophobicContact CZ-CD1 4.46Å; F238-F339 HydrophobicContact CZ-CE1 4Å; F238-F339 HydrophobicContact CZ-CE2 4.26Å; F238-F339 AromaticContact CZ-CZ 3.9Å; F238-F339 HydrophobicContact CZ-CZ 3.9Å; L256-F339 HydrophobicContact CD2-CB 4.44Å; L256-F339 VanDerWaalsContact CD2-O 3.31Å; L256-F339 WeakPolarHBondContact CD2-O 3.47Å; L260-F339 HydrophobicContact CD1-CB 4.21Å; L260-F339 HydrophobicContact CD1-CD1 3.84Å; L260-F339 HydrophobicContact CD1-CG 4.13Å; L260-F339 HydrophobicContact CD2-CB 4.41Å; L260-F339 HydrophobicContact CD2-CD1 3.62Å; L260-F339 HydrophobicContact CD2-CE1 4.38Å; L260-F339 HydrophobicContact CD2-CG 4.42Å; L260-F339 HydrophobicContact CG-CD1 4.41Å; V264-F339 HydrophobicContact CG1-CE1 4.02Å; V264-F339 HydrophobicContact CG1-CZ 4.31Å; V283-F339 HydrophobicContact CG1-CD1 4.3Å; V283-F339 HydrophobicContact CG1-CE1 4.1Å; V283-F339 HydrophobicContact CG1-CE2 4.45Å; V283-F339 HydrophobicContact CG1-CZ 4.18Å; V283-F339 HydrophobicContact CG2-CD1 3.56Å; V283-F339 HydrophobicContact CG2-CE1 3.64Å; V283-F339 HydrophobicContact CG2-CG 4.39Å; L337-F339 HydrophobicContact CB-CE2 3.86Å; L337-F339 HydrophobicContact CB-CZ 4.39Å; F339-E341 PolarHBondContact O-N 2.95Å; F339-I354 HydrophobicContact CB-CB 4.13Å; F339-I354 HydrophobicContact CB-CG2 4.12Å; F339-I354 HydrophobicContact CD2-CG2 3.87Å; F339-I354 HydrophobicContact CG-CG2 4.22Å; F339-I354 PolarHBondContact N-O 3.3Å; F339-I354 VanDerWaalsContact N-O 3.1Å; F339-L356 HydrophobicContact CE2-CB 3.67Å; F339-L356 HydrophobicContact CE2-CD2 4.13Å; F339-L356 HydrophobicContact CZ-CB 4.5Å; F339-L356 HydrophobicContact CZ-CD2 4.16Å
340G94.1Very high89.1Confident21 Ų2143.5 Ų43.522%0.21625%0.247CC..SBendtrans79.3-21.4170.600000115S281 R282S281-G340 WeakPolarHBondContact OG-CA 3.47Å; S281-G340 PolarHBondContact OG-N 2.62Å; R282-G340 PolarHBondContact NE-O 3.02Å; R282-G340 PolarHBondContact NH2-O 3.06Å; R282-G340 PolarHBondContact O-N 3.11Å
341E92.8Very high89.1Confident51 Ų5145.3 Ų45.324%0.23826%0.257CS..SBendtrans-120.1150.4-176.8-66.3175.694.600111.2F284 C338 F339 K352 L353F284-E341 WeakPolarHBondContact CD2-O 3.32Å; F284-E341 VanDerWaalsContact CE2-O 3.28Å; F284-E341 WeakPolarHBondContact CE2-O 3.44Å; C338-E341 PolarHBondContact SG-O 2.87Å; F339-E341 PolarHBondContact O-N 2.95Å; E341-K352 HydrophobicContact CB-CD 3.87Å; E341-K352 WeakPolarHBondContact OE2-CA 3.39Å; E341-L353 WeakPolarHBondContact OE2-CB 3.46Å; E341-L353 WeakPolarHBondContact OE2-CG 3.17Å; E341-L353 PolarHBondContact OE2-N 3.31Å
342E88.3Confident89.3Confident104 Ų10446 Ų4649%0.48626%0.259SS..  trans-71.7136.7172.5-166.7168.1-176.600109.8F284 K352F284-E342 HydrophobicContact CE1-CG 3.98Å; F284-E342 HydrophobicContact CE2-CB 4.25Å; F284-E342 HydrophobicContact CZ-CB 4.08Å; F284-E342 HydrophobicContact CZ-CG 3.92Å; E342-K352 VanDerWaalsContact O-CE 3.31Å; E342-K352 WeakPolarHBondContact O-CE 3.46Å; E342-K352 PolarHBondContact O-NZ 2.86Å
343L84.4Confident89.5Confident4 Ų444 Ų442%0.02125%0.247CC..  trans-107.4108.1175.7-170.267.6000107.1F284 P299 T336 C338 D345 A349 K352F284-L343 HydrophobicContact CB-CB 3.92Å; P299-L343 HydrophobicContact CB-CB 3.91Å; P299-L343 HydrophobicContact CB-CD2 3.95Å; P299-L343 HydrophobicContact CB-CG 4.01Å; P299-L343 WeakPolarHBondContact CB-O 3.21Å; P299-L343 HydrophobicContact CG-CB 4.16Å; P299-L343 HydrophobicContact CG-CD2 3.96Å; P299-L343 HydrophobicContact CG-CG 3.81Å; P299-L343 VanDerWaalsContact CG-O 3.23Å; P299-L343 WeakPolarHBondContact CG-O 3.39Å; T336-L343 HydrophobicContact CG2-CD2 4.37Å; C338-L343 HydrophobicContact CB-CB 3.95Å; C338-L343 HydrophobicContact CB-CD1 4.25Å; C338-L343 HydrophobicContact CB-CD2 4.09Å; C338-L343 HydrophobicContact CB-CG 4.33Å; L343-D345 WeakPolarHBondContact CD1-O 3.44Å; L343-A349 HydrophobicContact CD1-CB 4.39Å; L343-K352 HydrophobicContact CD1-CG 4.43Å
344N77.6Confident89.7Confident113 Ų11343.3 Ų43.360%0.60424%0.243SC*.SBendtrans-83.9-39.8179.1-62.6-12.9000110.7P299P299-N344 WeakPolarHBondContact CD-O 3.43Å
345D78Confident89.9Confident83 Ų8343.4 Ų43.444%0.44424%0.243SC..  trans-149.8152.3177.9178.827000109.5L343 S347 S348L343-D345 WeakPolarHBondContact CD1-O 3.44Å; D345-S347 PolarHBondContact O-N 2.85Å; D345-S347 WeakPolarHBondContact OD2-CB 3.16Å; D345-S347 PolarHBondContact OD2-OG 2.82Å; D345-S348 WeakPolarHBondContact O-CB 3.48Å; D345-S348 PolarHBondContact O-N 2.94Å; D345-S348 PolarHBondContact O-OG 2.86Å
346V75.9Confident90Very high65 Ų6543.4 Ų43.439%0.39424%0.243SC..G310 helixtrans-59.2-31.6177.1-178.10000111.1S286 S348 A349S286-V346 WeakPolarHBondContact OG-CG2 3.46Å; V346-S348 PolarHBondContact O-N 2.85Å; V346-S348 VanDerWaalsContact O-N 3.16Å; V346-A349 WeakPolarHBondContact O-CB 3.48Å; V346-A349 PolarHBondContact O-N 3.4Å
347S80.3Confident90.1Very high87 Ų8745 Ų4561%0.60825%0.25SS*.G310 helixtrans-58.1-29.8174.568.80000113D345 A349D345-S347 PolarHBondContact O-N 2.85Å; D345-S347 WeakPolarHBondContact OD2-CB 3.16Å; D345-S347 PolarHBondContact OD2-OG 2.82Å; S347-A349 VanDerWaalsContact C-N 3.29Å; S347-A349 PolarHBondContact O-N 3.11Å
348S84.1Confident90.1Very high28 Ų2845 Ų4520%0.19625%0.25CS..G310 helixtrans-78.3-8.5178.676.90000113.8D345 V346 K350 S351D345-S348 WeakPolarHBondContact O-CB 3.48Å; D345-S348 PolarHBondContact O-N 2.94Å; D345-S348 PolarHBondContact O-OG 2.86Å; V346-S348 PolarHBondContact O-N 2.85Å; V346-S348 VanDerWaalsContact O-N 3.16Å; S348-K350 PolarHBondContact O-N 3.36Å; S348-K350 VanDerWaalsContact O-N 3.14Å; S348-S351 PolarHBondContact O-N 2.86Å; S348-S351 VanDerWaalsContact O-N 3.12Å; S348-S351 PolarHBondContact O-OG 3.35Å
349A86.1Confident90.1Very high15 Ų1545.5 Ų45.512%0.12425%0.253CS..G310 helixtrans-57.8-31.5-177.400000112.9L343 V346 S347 S351 K352 I355L343-A349 HydrophobicContact CD1-CB 4.39Å; V346-A349 WeakPolarHBondContact O-CB 3.48Å; V346-A349 PolarHBondContact O-N 3.4Å; S347-A349 VanDerWaalsContact C-N 3.29Å; S347-A349 PolarHBondContact O-N 3.11Å; A349-S351 PolarHBondContact O-N 3.23Å; A349-K352 PolarHBondContact O-N 2.9Å; A349-K352 VanDerWaalsContact O-N 3.15Å; A349-I355 HydrophobicContact CB-CD1 3.97Å; A349-I355 HydrophobicContact CB-CG1 4.08Å; A349-I355 WeakPolarHBondContact O-CG1 3.4Å
350K88.1Confident89.9Confident168 Ų16845.6 Ų45.673%0.7325%0.253SS*.G310 helixtrans-64-22.7-179.7-64.4-177-178.6179.10114G199 G200 S348G199-K350 CarbonylContact C-O 3.07Å; G200-K350 WeakPolarHBondContact CA-O 3.32Å; G200-K350 PolarHBondContact N-O 3.24Å; G200-K350 VanDerWaalsContact N-O 3.13Å; S348-K350 PolarHBondContact O-N 3.36Å; S348-K350 VanDerWaalsContact O-N 3.14Å
351S88.2Confident89.9Confident88 Ų8845 Ų4562%0.61525%0.245SC*.G310 helixtrans-96.1-3.5178.662.30000113.6S348 A349S348-S351 PolarHBondContact O-N 2.86Å; S348-S351 VanDerWaalsContact O-N 3.12Å; S348-S351 PolarHBondContact O-OG 3.35Å; A349-S351 PolarHBondContact O-N 3.23Å
352K94.6Very high89.8Confident26 Ų2643.1 Ų43.111%0.11324%0.237CC..  trans-82.1144.4-177.2-53.5-62.8171.3178.70111.5G199 E341 E342 L343 A349 I354 I355G199-K352 WeakPolarHBondContact CA-O 3.48Å; G199-K352 PolarHBondContact N-O 3.48Å; E341-K352 HydrophobicContact CB-CD 3.87Å; E341-K352 WeakPolarHBondContact OE2-CA 3.39Å; E342-K352 VanDerWaalsContact O-CE 3.31Å; E342-K352 WeakPolarHBondContact O-CE 3.46Å; E342-K352 PolarHBondContact O-NZ 2.86Å; L343-K352 HydrophobicContact CD1-CG 4.43Å; A349-K352 PolarHBondContact O-N 2.9Å; A349-K352 VanDerWaalsContact O-N 3.15Å; K352-I354 PolarHBondContact O-N 2.98Å; K352-I355 HydrophobicContact CB-CD1 3.75Å; K352-I355 HydrophobicContact CB-CG1 3.93Å; K352-I355 HydrophobicContact CG-CD1 3.98Å
353L96Very high90Very high37 Ų3738.2 Ų38.219%0.19421%0.214CC..SBendtrans-61.1-44.5-179.2-67.1175.6000111.9Y198 G199 Q249 F252 L256 E341Y198-L353 WeakPolarHBondContact CA-O 3.35Å; Y198-L353 WeakPolarHBondContact CD1-O 3.44Å; G199-L353 PolarHBondContact N-O 2.88Å; Q249-L353 HydrophobicContact CG-CD2 4.12Å; F252-L353 HydrophobicContact CB-CD1 3.8Å; F252-L353 HydrophobicContact CB-CD2 4.15Å; L256-L353 HydrophobicContact CD2-CB 4.31Å; E341-L353 WeakPolarHBondContact OE2-CB 3.46Å; E341-L353 WeakPolarHBondContact OE2-CG 3.17Å; E341-L353 PolarHBondContact OE2-N 3.31Å
354I97.9Very high90.4Very high0 Ų041 Ų410%023%0.227CC..  trans-138.4114.9-178.5-56.2-177.6000110Y198 F238 T253 L256 L257 L260 F339 K352Y198-I354 HydrophobicContact CD1-CB 4.29Å; Y198-I354 HydrophobicContact CD1-CG1 3.82Å; Y198-I354 HydrophobicContact CD1-CG2 4.39Å; Y198-I354 HydrophobicContact CE1-CB 4.2Å; Y198-I354 HydrophobicContact CE1-CD1 4.11Å; Y198-I354 HydrophobicContact CE1-CG1 3.65Å; Y198-I354 HydrophobicContact CE1-CG2 3.94Å; F238-I354 HydrophobicContact CD1-CG2 4.17Å; F238-I354 HydrophobicContact CE1-CG2 3.83Å; T253-I354 HydrophobicContact CG2-CD1 3.95Å; T253-I354 HydrophobicContact CG2-CG1 3.83Å; L256-I354 HydrophobicContact CB-CD1 4.32Å; L256-I354 HydrophobicContact CD2-CB 4.25Å; L256-I354 HydrophobicContact CD2-CD1 3.62Å; L256-I354 HydrophobicContact CD2-CG1 3.84Å; L256-I354 HydrophobicContact CG-CD1 3.85Å; L257-I354 HydrophobicContact CD2-CD1 3.87Å; L257-I354 HydrophobicContact CG-CD1 4.08Å; L260-I354 HydrophobicContact CD1-CD1 4.01Å; F339-I354 HydrophobicContact CB-CB 4.13Å; F339-I354 HydrophobicContact CB-CG2 4.12Å; F339-I354 HydrophobicContact CD2-CG2 3.87Å; F339-I354 HydrophobicContact CG-CG2 4.22Å; F339-I354 PolarHBondContact N-O 3.3Å; F339-I354 VanDerWaalsContact N-O 3.1Å; K352-I354 PolarHBondContact O-N 2.98Å
355I97.8Very high91.1Very high9 Ų939 Ų395%0.04621%0.214CC..EExtended strand (participates in β ladder)trans-115.7139.7168.2-62.4-64.1000109.1Y197 T336 L337 C338 A349 K352Y197-I355 HydrophobicContact CD2-CG2 4.25Å; Y197-I355 PolarHBondContact N-O 2.63Å; Y197-I355 PolarHBondContact O-N 2.85Å; T336-I355 HydrophobicContact CG2-CD1 4.37Å; T336-I355 HydrophobicContact CG2-CG2 3.74Å; L337-I355 CarbonylContact O-C 3.5Å; L337-I355 WeakPolarHBondContact O-CA 3.44Å; C338-I355 HydrophobicContact CB-CD1 3.63Å; A349-I355 HydrophobicContact CB-CD1 3.97Å; A349-I355 HydrophobicContact CB-CG1 4.08Å; A349-I355 WeakPolarHBondContact O-CG1 3.4Å; K352-I355 HydrophobicContact CB-CD1 3.75Å; K352-I355 HydrophobicContact CB-CG1 3.93Å; K352-I355 HydrophobicContact CG-CD1 3.98Å
356L98Very high91.6Very high0 Ų035.7 Ų35.70%020%0.196CC..EExtended strand (participates in β ladder)trans-121.6120.1169.4-176.366.6000108.3I194 S195 F196 I216 L337 F339 I358I194-L356 HydrophobicContact CG2-CD1 3.33Å; I194-L356 HydrophobicContact CG2-CG 4.22Å; S195-L356 WeakPolarHBondContact O-CA 3.42Å; F196-L356 HydrophobicContact CD1-CD1 3.56Å; F196-L356 HydrophobicContact CD2-CD1 4.18Å; F196-L356 HydrophobicContact CE1-CD1 3.43Å; F196-L356 VanDerWaalsContact CE1-CD1 3.43Å; F196-L356 HydrophobicContact CE2-CD1 4.08Å; F196-L356 HydrophobicContact CG-CD1 3.94Å; F196-L356 HydrophobicContact CZ-CD1 3.7Å; I216-L356 HydrophobicContact CD1-CD2 3.57Å; I216-L356 HydrophobicContact CG2-CD2 4.33Å; L337-L356 HydrophobicContact CB-CB 4.23Å; L337-L356 HydrophobicContact CD1-CD2 4.14Å; L337-L356 PolarHBondContact N-O 2.85Å; L337-L356 PolarHBondContact O-N 3.25Å; F339-L356 HydrophobicContact CE2-CB 3.67Å; F339-L356 HydrophobicContact CE2-CD2 4.13Å; F339-L356 HydrophobicContact CZ-CB 4.5Å; F339-L356 HydrophobicContact CZ-CD2 4.16Å; L356-I358 HydrophobicContact CD2-CD1 4.34Å; L356-I358 HydrophobicContact CD2-CG1 4.4Å; L356-I358 HydrophobicContact CG-CG1 4.24Å
357Q97.3Very high92.3Very high46 Ų4633.5 Ų33.522%0.21518%0.182CC..EExtended strand (participates in β ladder)trans-101.4130.9172.6-170.3175.29.400108.9I194 S195 Y197 S334 V335I194-Q357 WeakPolarHBondContact CA-O 3.46Å; S195-Q357 PolarHBondContact N-O 3.38Å; S195-Q357 PolarHBondContact O-N 2.73Å; Y197-Q357 HydrophobicContact CE2-CB 4.05Å; Y197-Q357 PolarHBondContact OH-OE1 3.36Å; S334-Q357 PolarHBondContact OG-NE2 2.91Å; V335-Q357 CarbonylContact O-C 3.54Å; V335-Q357 WeakPolarHBondContact O-CA 3.32Å
358I97.7Very high92.9Very high0 Ų033.5 Ų33.50%017%0.173CC..EExtended strand (participates in β ladder)trans-119.2114.4179-53.7174.7000107.1L192 M193 V266 I273 I310 S334 V335 L337 L356L192-I358 HydrophobicContact CB-CG2 4.43Å; L192-I358 HydrophobicContact CD1-CG2 4.25Å; L192-I358 HydrophobicContact CD2-CG2 4Å; L192-I358 HydrophobicContact CG-CG2 4.48Å; M193-I358 WeakPolarHBondContact O-CA 3.26Å; V266-I358 HydrophobicContact CG1-CD1 4.16Å; V266-I358 HydrophobicContact CG2-CD1 4.02Å; I273-I358 HydrophobicContact CD1-CG2 3.98Å; I310-I358 HydrophobicContact CD1-CD1 4.5Å; S334-I358 CarbonylContact C-O 3.5Å; S334-I358 WeakPolarHBondContact CA-O 3.46Å; V335-I358 PolarHBondContact N-O 3.12Å; V335-I358 PolarHBondContact O-N 2.92Å; L337-I358 HydrophobicContact CD1-CD1 3.67Å; L337-I358 HydrophobicContact CG-CD1 4.41Å; L356-I358 HydrophobicContact CD2-CD1 4.34Å; L356-I358 HydrophobicContact CD2-CG1 4.4Å; L356-I358 HydrophobicContact CG-CG1 4.24Å
359T96.4Very high93Very high10 Ų1034.5 Ų34.56%0.06118%0.179CC..EExtended strand (participates in β ladder)trans-109.1131.1-178.6-560000110.1L192 M193 P333 S334 V361 Q364L192-T359 WeakPolarHBondContact CA-O 3.2Å; M193-T359 PolarHBondContact N-O 3.31Å; M193-T359 PolarHBondContact O-N 2.83Å; P333-T359 HydrophobicContact CB-CG2 4.21Å; P333-T359 HydrophobicContact CG-CG2 4.01Å; S334-T359 WeakPolarHBondContact CB-OG1 3.43Å; S334-T359 PolarHBondContact OG-OG1 3.17Å; T359-V361 PolarHBondContact O-N 3.43Å; T359-Q364 HydrophobicContact CG2-CB 4.05Å
360M93.9Very high93Very high2 Ų235.2 Ų35.21%0.0118%0.181CC..EExtended strand (participates in β ladder)trans-79.6106.2173.7-163.1156.2-171.800109.1N269 I273 F311 P333 N362 C363 Q364N269-M360 VanDerWaalsContact O-CE 3.27Å; N269-M360 WeakPolarHBondContact O-CE 3.33Å; I273-M360 HydrophobicContact CD1-CB 4.17Å; I273-M360 HydrophobicContact CG1-SD 4.13Å; F311-M360 HydrophobicContact CD1-SD 3.6Å; F311-M360 HydrophobicContact CE1-CB 4.19Å; F311-M360 HydrophobicContact CE1-CG 4.45Å; F311-M360 HydrophobicContact CE1-SD 3.55Å; F311-M360 VanDerWaalsContact CE1-SD 3.55Å; F311-M360 HydrophobicContact CZ-CB 4.4Å; P333-M360 PolarHBondContact O-N 2.89Å; M360-N362 VanDerWaalsContact C-N 3.35Å; M360-N362 PolarHBondContact O-N 3.22Å; M360-C363 HydrophobicContact CB-CB 4.06Å; M360-C363 HydrophobicContact CG-CB 4.4Å; M360-C363 WeakPolarHBondContact O-CB 3.13Å; M360-C363 PolarHBondContact O-N 3.18Å; M360-Q364 PolarHBondContact O-N 3.48Å
361V94.3Very high93Very high9 Ų929.9 Ų29.96%0.05516%0.16CC..Hα-helixtrans-61.5-42.5-166.1173.80000111.8Q191 M193 L207 T359 C363 Q364 H365Q191-V361 HydrophobicContact CB-CB 3.94Å; Q191-V361 HydrophobicContact CB-CG1 4.47Å; Q191-V361 HydrophobicContact CB-CG2 4.26Å; Q191-V361 PolarHBondContact O-N 2.9Å; M193-V361 HydrophobicContact CB-CG2 3.97Å; L207-V361 HydrophobicContact CD1-CG2 3.8Å; T359-V361 PolarHBondContact O-N 3.43Å; V361-C363 VanDerWaalsContact C-N 3.34Å; V361-C363 PolarHBondContact O-N 2.77Å; V361-Q364 WeakPolarHBondContact O-CB 3.39Å; V361-Q364 PolarHBondContact O-N 3.29Å; V361-H365 WeakPolarHBondContact CG1-NE2 3.15Å; V361-H365 PolarHBondContact O-CD2 3.15Å; V361-H365 VanDerWaalsContact O-CD2 3.26Å; V361-H365 PolarHBondContact O-N 3.14Å
362N91.2Very high92.9Very high11 Ų1131.8 Ų31.86%0.05916%0.161CC..Hα-helixtrans-58-46.5175.4-79.111.3000112.1G188 M360 Q364 H365 M366G188-N362 WeakPolarHBondContact CA-ND2 3.07Å; G188-N362 VanDerWaalsContact O-CG 3.24Å; G188-N362 PolarHBondContact O-ND2 3.21Å; G188-N362 PolarHBondContact O-OD1 3.33Å; M360-N362 VanDerWaalsContact C-N 3.35Å; M360-N362 PolarHBondContact O-N 3.22Å; N362-Q364 VanDerWaalsContact C-N 3.3Å; N362-Q364 PolarHBondContact O-N 3.43Å; N362-H365 PolarHBondContact O-N 3Å; N362-M366 WeakPolarHBondContact O-CE 3.33Å; N362-M366 WeakPolarHBondContact O-CG 3.48Å; N362-M366 PolarHBondContact O-N 3.12Å
363C92.6Very high92.2Very high1 Ų139.8 Ų39.81%0.00719%0.191CC..Hα-helixtrans-61.6-40.3178.9-65.20000111.8F311 F316 P333 M360 V361 M366 L367F311-C363 HydrophobicContact CZ-CB 4.22Å; F316-C363 HydrophobicContact CD1-CB 3.79Å; F316-C363 HydrophobicContact CD2-CB 4.44Å; F316-C363 HydrophobicContact CE1-CB 3.46Å; F316-C363 VanDerWaalsContact CE1-CB 3.46Å; F316-C363 HydrophobicContact CE2-CB 4.15Å; F316-C363 HydrophobicContact CG-CB 4.27Å; F316-C363 HydrophobicContact CZ-CB 3.66Å; F316-C363 WeakPolarHBondContact CZ-O 3.14Å; P333-C363 HydrophobicContact CB-CB 3.79Å; M360-C363 HydrophobicContact CB-CB 4.06Å; M360-C363 HydrophobicContact CG-CB 4.4Å; M360-C363 WeakPolarHBondContact O-CB 3.13Å; M360-C363 PolarHBondContact O-N 3.18Å; V361-C363 VanDerWaalsContact C-N 3.34Å; V361-C363 PolarHBondContact O-N 2.77Å; C363-M366 HydrophobicContact CB-CE 4.48Å; C363-L367 PolarHBondContact O-N 2.97Å; C363-L367 VanDerWaalsContact O-N 3.16Å
364Q93.5Very high91.2Very high64 Ų6443.7 Ų43.730%0.29920%0.203SC..Hα-helixtrans-60.7-50.5174.2178.81763.900111.7P333 T359 M360 V361 N362 M366 L367 E368P333-Q364 HydrophobicContact CB-CB 4.18Å; P333-Q364 HydrophobicContact CG-CB 3.93Å; P333-Q364 HydrophobicContact CG-CG 4.44Å; T359-Q364 HydrophobicContact CG2-CB 4.05Å; M360-Q364 PolarHBondContact O-N 3.48Å; V361-Q364 WeakPolarHBondContact O-CB 3.39Å; V361-Q364 PolarHBondContact O-N 3.29Å; N362-Q364 VanDerWaalsContact C-N 3.3Å; N362-Q364 PolarHBondContact O-N 3.43Å; Q364-M366 PolarHBondContact O-N 3.16Å; Q364-L367 WeakPolarHBondContact O-CB 3.41Å; Q364-L367 PolarHBondContact O-N 2.99Å; Q364-E368 HydrophobicContact CG-CG 4.47Å; Q364-E368 VanDerWaalsContact CG-OE1 3.28Å; Q364-E368 WeakPolarHBondContact CG-OE1 3.44Å; Q364-E368 PolarHBondContact NE2-OE1 3.06Å; Q364-E368 WeakPolarHBondContact O-CG 3.4Å; Q364-E368 PolarHBondContact O-N 2.97Å
365H90.9Very high89.7Confident70 Ų7047.8 Ų47.832%0.32423%0.232SC..Hα-helixtrans-60-43179.6-75.3-54.5000112.8V361 N362 L367 E368 S369 M395V361-H365 WeakPolarHBondContact CG1-NE2 3.15Å; V361-H365 PolarHBondContact O-CD2 3.15Å; V361-H365 VanDerWaalsContact O-CD2 3.26Å; V361-H365 PolarHBondContact O-N 3.14Å; N362-H365 PolarHBondContact O-N 3Å; H365-L367 VanDerWaalsContact C-N 3.3Å; H365-L367 PolarHBondContact O-N 3.36Å; H365-E368 IonicContact ND1-OE2 2.82Å; H365-E368 WeakPolarHBondContact O-CB 3.38Å; H365-E368 PolarHBondContact O-N 3.47Å; H365-E368 VanDerWaalsContact O-N 3.17Å; H365-S369 PolarHBondContact O-N 3.37Å; H365-S369 PolarHBondContact O-OG 3.27Å; H365-M395 HydrophobicContact CB-CE 3.52Å; H365-M395 HydrophobicContact CB-SD 3.74Å
366M89.3Confident88Confident13 Ų1354 Ų546%0.06426%0.26CS..Hα-helixtrans-62.3-38.5177.7-71179.1-62.900112.6F317 L320 N362 C363 Q364 L370 M395 Y399F317-M366 HydrophobicContact CD1-CE 4.36Å; F317-M366 HydrophobicContact CE1-CE 3.13Å; F317-M366 HydrophobicContact CE1-SD 3.46Å; F317-M366 WeakPolarHBondContact CE1-SD 3.5Å; F317-M366 HydrophobicContact CZ-CE 3.35Å; F317-M366 HydrophobicContact CZ-SD 3.83Å; L320-M366 HydrophobicContact CD2-CB 4.19Å; N362-M366 WeakPolarHBondContact O-CE 3.33Å; N362-M366 WeakPolarHBondContact O-CG 3.48Å; N362-M366 PolarHBondContact O-N 3.12Å; C363-M366 HydrophobicContact CB-CE 4.48Å; Q364-M366 PolarHBondContact O-N 3.16Å; M366-L370 WeakPolarHBondContact O-CG 3.08Å; M366-L370 PolarHBondContact O-N 2.63Å; M366-L370 VanDerWaalsContact O-N 3.11Å; M366-M395 HydrophobicContact CG-CB 4.43Å; M366-Y399 HydrophobicContact SD-CD2 4.37Å
367L91.1Very high85.7Confident19 Ų1958.8 Ų58.810%0.09929%0.292CS..Hα-helixtrans-65.1-43174.3179.463.3000111.6F316 L320 Y323 A330 P331 C363 Q364 H365 L370 N371F316-L367 HydrophobicContact CZ-CB 4.41Å; L320-L367 HydrophobicContact CD1-CB 4.17Å; L320-L367 HydrophobicContact CD1-CD1 3.59Å; L320-L367 HydrophobicContact CD1-CG 4.48Å; Y323-L367 HydrophobicContact CD1-CD1 4.05Å; Y323-L367 HydrophobicContact CE1-CD1 3.96Å; A330-L367 HydrophobicContact CB-CD1 4.12Å; A330-L367 HydrophobicContact CB-CD2 4.47Å; P331-L367 WeakPolarHBondContact O-CD2 3.31Å; C363-L367 PolarHBondContact O-N 2.97Å; C363-L367 VanDerWaalsContact O-N 3.16Å; Q364-L367 WeakPolarHBondContact O-CB 3.41Å; Q364-L367 PolarHBondContact O-N 2.99Å; H365-L367 VanDerWaalsContact C-N 3.3Å; H365-L367 PolarHBondContact O-N 3.36Å; L367-L370 PolarHBondContact O-N 2.76Å; L367-N371 WeakPolarHBondContact O-CB 3.2Å; L367-N371 VanDerWaalsContact O-CG 3.22Å; L367-N371 PolarHBondContact O-N 2.9Å; L367-N371 PolarHBondContact O-ND2 3.16Å
368E91Very high83.4Confident88 Ų8868.2 Ų68.241%0.41133%0.327SS..Hα-helixtrans-61.2-46.5176.1-71.5168.8-179.600111.6Q364 H365 L370 N371 M372Q364-E368 HydrophobicContact CG-CG 4.47Å; Q364-E368 VanDerWaalsContact CG-OE1 3.28Å; Q364-E368 WeakPolarHBondContact CG-OE1 3.44Å; Q364-E368 PolarHBondContact NE2-OE1 3.06Å; Q364-E368 WeakPolarHBondContact O-CG 3.4Å; Q364-E368 PolarHBondContact O-N 2.97Å; H365-E368 IonicContact ND1-OE2 2.82Å; H365-E368 WeakPolarHBondContact O-CB 3.38Å; H365-E368 PolarHBondContact O-N 3.47Å; H365-E368 VanDerWaalsContact O-N 3.17Å; E368-L370 VanDerWaalsContact C-N 3.33Å; E368-L370 PolarHBondContact O-N 2.94Å; E368-N371 PolarHBondContact O-N 3.49Å; E368-M372 PolarHBondContact O-N 3.37Å
369S87.4Confident80.6Confident48 Ų4874 Ų7434%0.33636%0.362SS..Hα-helixtrans-60.5-39.7176.8-55.20000112.6H365 M372 R373H365-S369 PolarHBondContact O-N 3.37Å; H365-S369 PolarHBondContact O-OG 3.27Å; S369-M372 PolarHBondContact O-N 2.94Å; S369-R373 PolarHBondContact O-N 3.5Å; S369-R373 VanDerWaalsContact O-N 3.16Å
370L86.9Confident78.1Confident30 Ų3079 Ų7916%0.15740%0.398CS..Hα-helixtrans-68.1-40.9175.8-75.1172.1000112.2L320 M366 L367 E368 M372 R373 R374L320-L370 HydrophobicContact CD1-CD1 3.69Å; L320-L370 HydrophobicContact CD2-CD1 3.6Å; L320-L370 HydrophobicContact CG-CD1 3.43Å; L320-L370 VanDerWaalsContact CG-CD1 3.43Å; M366-L370 WeakPolarHBondContact O-CG 3.08Å; M366-L370 PolarHBondContact O-N 2.63Å; M366-L370 VanDerWaalsContact O-N 3.11Å; L367-L370 PolarHBondContact O-N 2.76Å; E368-L370 VanDerWaalsContact C-N 3.33Å; E368-L370 PolarHBondContact O-N 2.94Å; L370-M372 VanDerWaalsContact C-N 3.28Å; L370-M372 PolarHBondContact O-N 3.42Å; L370-R373 PolarHBondContact O-N 3.37Å; L370-R374 PolarHBondContact O-N 2.9Å
371N88.1Confident75.4Confident56 Ų5684.4 Ų84.430%0.29944%0.436SS..Hα-helixtrans-62-38.2175.7-73.1-23.5000111.7Y323 L367 E368 R374 S375Y323-N371 VanDerWaalsContact CE1-OD1 3.3Å; Y323-N371 WeakPolarHBondContact CE1-OD1 3.28Å; Y323-N371 PolarHBondContact OH-OD1 2.82Å; L367-N371 WeakPolarHBondContact O-CB 3.2Å; L367-N371 VanDerWaalsContact O-CG 3.22Å; L367-N371 PolarHBondContact O-N 2.9Å; L367-N371 PolarHBondContact O-ND2 3.16Å; E368-N371 PolarHBondContact O-N 3.49Å; N371-R374 PolarHBondContact O-N 2.71Å; N371-S375 WeakPolarHBondContact O-CB 3.5Å; N371-S375 PolarHBondContact O-N 3.27Å; N371-S375 PolarHBondContact O-OG 3.45Å; N371-S375 VanDerWaalsContact O-OG 3.11Å
372M84.6Confident73.3Confident129 Ų12989.6 Ų89.664%0.63547%0.47SS*.Hα-helixtrans-67.7-38.6178-157.8139.2176.200112.4E368 S369 L370 R374 S375 Q376E368-M372 PolarHBondContact O-N 3.37Å; S369-M372 PolarHBondContact O-N 2.94Å; L370-M372 VanDerWaalsContact C-N 3.28Å; L370-M372 PolarHBondContact O-N 3.42Å; M372-R374 VanDerWaalsContact C-N 3.34Å; M372-S375 WeakPolarHBondContact CA-OG 3.39Å; M372-S375 PolarHBondContact O-N 3.03Å; M372-S375 PolarHBondContact O-OG 2.86Å; M372-S375 VanDerWaalsContact O-OG 3.14Å; M372-Q376 PolarHBondContact O-N 3.17Å
373R80.2Confident71.1Confident194 Ų19496.6 Ų96.673%0.73251%0.507SS*.Hα-helixtrans-67.4-31.8172.4-78.4-147.9-91.7-149-5.7113.6S369 L370S369-R373 PolarHBondContact O-N 3.5Å; S369-R373 VanDerWaalsContact O-N 3.16Å; L370-R373 PolarHBondContact O-N 3.37Å
374R74.2Confident69.1Low118 Ų118102.9 Ų102.945%0.44555%0.545SS..Hα-helixtrans-75.4-30176.8-177.2177.2-74.9-177.8-8.7112.6Y323 Q324 L370 N371 M372Y323-R374 PolarHBondContact O-NH2 3.33Å; Y323-R374 PolarHBondContact OH-NH1 3.45Å; Y323-R374 VanDerWaalsContact OH-NH1 3.12Å; Q324-R374 PolarHBondContact O-NH2 3.23Å; L370-R374 PolarHBondContact O-N 2.9Å; N371-R374 PolarHBondContact O-N 2.71Å; M372-R374 VanDerWaalsContact C-N 3.34Å
375S67.1Low66.6Low87 Ų87106.6 Ų106.661%0.60856%0.562SS**Hα-helixtrans-88.7-12.5-176.563.30000114.5N371 M372 P377N371-S375 WeakPolarHBondContact O-CB 3.5Å; N371-S375 PolarHBondContact O-N 3.27Å; N371-S375 PolarHBondContact O-OG 3.45Å; N371-S375 VanDerWaalsContact O-OG 3.11Å; M372-S375 WeakPolarHBondContact CA-OG 3.39Å; M372-S375 PolarHBondContact O-N 3.03Å; M372-S375 PolarHBondContact O-OG 2.86Å; M372-S375 VanDerWaalsContact O-OG 3.14Å; S375-P377 WeakPolarHBondContact O-CD 3.5Å
376Q62.2Low64.4Low139 Ų139111.5 Ų111.565%0.6559%0.588SS**  trans-73.8112.2172.1-86.6179-800111.1M372M372-Q376 PolarHBondContact O-N 3.17Å
377P49.9Very low62.5Low101 Ų101116.1 Ų116.166%0.65662%0.621SS**  trans-69144.7161.627.7-23.1000108.2S375 T379S375-P377 WeakPolarHBondContact O-CD 3.5Å; P377-T379 VanDerWaalsContact C-N 3.34Å; P377-T379 PolarHBondContact O-N 3.11Å
378Y48.4Very low60.6Low243 Ų243119.7 Ų119.795%0.95364%0.64SS**SBendtrans-5391.2176.9-76-96.2000111.8
379T39Very low59Low122 Ų122120.3 Ų120.375%0.74865%0.646SS**  trans-134.298.816055.80000107.8P377 S381P377-T379 VanDerWaalsContact C-N 3.34Å; P377-T379 PolarHBondContact O-N 3.11Å; T379-S381 PolarHBondContact O-N 3.39Å
380S44.3Very low57.6Low116 Ų116122.6 Ų122.681%0.81166%0.658SS**  trans-52.6122.816839.80000112.1
381S36.3Very low56.2Low114 Ų114123 Ų12380%0.79767%0.666SS**  trans-156.8117.6148.1-77.50000108.7T379 N383T379-S381 PolarHBondContact O-N 3.39Å; S381-N383 PolarHBondContact O-N 3.19Å
382P50.3Low54.9Low119 Ų119122.8 Ų122.877%0.77367%0.667SS**  trans-92.298.6179.233.2-24.2000107.6
383N45.8Very low54Low158 Ų158121.5 Ų121.585%0.84566%0.659SS**  trans-170.1133.2155.3-99.1-29.6000111.5S381S381-N383 PolarHBondContact O-N 3.19Å
384V49.9Very low53.4Low132 Ų132116.8 Ų116.880%0.865%0.646SS**  trans8496.4169.5-163.70000115.3
385E42.5Very low53Low142 Ų142112.9 Ų112.966%0.66463%0.633SS**  trans179.976.2131.4-99.8172.6179.400112.4S387E385-S387 PolarHBondContact O-N 3.16Å
386M44.8Very low52.9Low174 Ų174111.1 Ų111.186%0.85762%0.623SS**THydrogen-bonded Turntrans-76.7-1.4-177.7-128.6138.780.800114.4
387S48.7Very low53.2Low109 Ų109111.5 Ų111.576%0.76262%0.619SS**THydrogen-bonded Turntrans-97.1-26.8179.8-169.70000113.3E385E385-S387 PolarHBondContact O-N 3.16Å
388D52Low54.1Low94 Ų94107 Ų10750%0.50359%0.589SS.*Hα-helixtrans-85.1-21.3178.8-149.722.6000111.4V390 A391 T392D388-V390 PolarHBondContact O-N 2.96Å; D388-A391 PolarHBondContact O-N 3.25Å; D388-T392 WeakPolarHBondContact O-CB 3.4Å; D388-T392 PolarHBondContact O-N 3.12Å; D388-T392 PolarHBondContact O-OG1 2.99Å
389D55.8Low55Low101 Ų10198.1 Ų98.154%0.5455%0.554SS.*Hα-helixtrans-60.7-38.2177-96.9-19.7000112.9E393D389-E393 WeakPolarHBondContact O-CA 3.37Å; D389-E393 WeakPolarHBondContact O-CB 3.33Å; D389-E393 PolarHBondContact O-N 3.07Å
390V58.4Low56.5Low96 Ų9698.5 Ų98.558%0.58255%0.547SS*.Hα-helixtrans-71.6-42-177.1-178.30000111.7D388 Q394D388-V390 PolarHBondContact O-N 2.96Å; V390-Q394 WeakPolarHBondContact O-CB 3.49Å; V390-Q394 PolarHBondContact O-N 3.36Å
391A56.8Low57.7Low39 Ų3997.3 Ų97.332%0.32253%0.532SS..Hα-helixtrans-68.4-43.3176.300000110.6D388 E393 Q394 M395D388-A391 PolarHBondContact O-N 3.25Å; A391-E393 PolarHBondContact O-N 3.33Å; A391-Q394 PolarHBondContact O-N 3.47Å; A391-M395 WeakPolarHBondContact O-CB 3.33Å; A391-M395 WeakPolarHBondContact O-CG 3.42Å; A391-M395 PolarHBondContact O-N 3.13Å
392T61.2Low59Low52 Ų5294 Ų9432%0.31951%0.505SS..Hα-helixtrans-63.6-40176.1-58.40000111.9D388 M395 A396D388-T392 WeakPolarHBondContact O-CB 3.4Å; D388-T392 PolarHBondContact O-N 3.12Å; D388-T392 PolarHBondContact O-OG1 2.99Å; T392-M395 PolarHBondContact O-N 2.88Å; T392-A396 VanDerWaalsContact O-CB 3.31Å; T392-A396 WeakPolarHBondContact O-CB 3.36Å; T392-A396 PolarHBondContact O-N 2.7Å
393E65.8Low59.6Low102 Ų10291.6 Ų91.648%0.47749%0.49SS..Hα-helixtrans-69.7-41.7176.8-168-176.1151.800111.2D389 A391 M395 A396 R397D389-E393 WeakPolarHBondContact O-CA 3.37Å; D389-E393 WeakPolarHBondContact O-CB 3.33Å; D389-E393 PolarHBondContact O-N 3.07Å; A391-E393 PolarHBondContact O-N 3.33Å; E393-M395 VanDerWaalsContact C-N 3.31Å; E393-M395 PolarHBondContact O-N 3.41Å; E393-A396 PolarHBondContact O-N 2.82Å; E393-R397 WeakPolarHBondContact O-CG 3.33Å; E393-R397 PolarHBondContact O-N 3.4Å; E393-R397 IonicContact OE1-CZ 3.66Å; E393-R397 IonicContact OE1-NE 2.67Å; E393-R397 IonicContact OE1-NH2 2.76Å; E393-R397 PolarHBondContact OE1-NH2 3.45Å
394Q67.2Low60.5Low95 Ų9587.8 Ų87.844%0.44448%0.476SS..Hα-helixtrans-61.7-40.8173.9-173177.2-0.100111.5N186 V390 A391 R397 I398N186-Q394 PolarHBondContact OD1-NE2 2.82Å; V390-Q394 WeakPolarHBondContact O-CB 3.49Å; V390-Q394 PolarHBondContact O-N 3.36Å; A391-Q394 PolarHBondContact O-N 3.47Å; Q394-R397 PolarHBondContact O-N 3.2Å; Q394-I398 HydrophobicContact CG-CD1 4.34Å; Q394-I398 WeakPolarHBondContact O-CG1 3.36Å; Q394-I398 PolarHBondContact O-N 2.94Å
395M66.2Low60.4Low35 Ų3590.5 Ų90.517%0.17247%0.473CS..Hα-helixtrans-67.1-40.3174.8-71.5175.7-16700112.2H365 M366 A391 T392 E393 R397 I398 Y399H365-M395 HydrophobicContact CB-CE 3.52Å; H365-M395 HydrophobicContact CB-SD 3.74Å; M366-M395 HydrophobicContact CG-CB 4.43Å; A391-M395 WeakPolarHBondContact O-CB 3.33Å; A391-M395 WeakPolarHBondContact O-CG 3.42Å; A391-M395 PolarHBondContact O-N 3.13Å; T392-M395 PolarHBondContact O-N 2.88Å; E393-M395 VanDerWaalsContact C-N 3.31Å; E393-M395 PolarHBondContact O-N 3.41Å; M395-R397 VanDerWaalsContact C-N 3.3Å; M395-R397 PolarHBondContact O-N 2.97Å; M395-I398 WeakPolarHBondContact O-CB 3.47Å; M395-I398 PolarHBondContact O-N 3.27Å; M395-Y399 WeakPolarHBondContact O-CB 3.44Å; M395-Y399 PolarHBondContact O-N 2.53Å
396A64.6Low60.4Low50 Ų5088.5 Ų88.541%0.41348%0.475SS..Hα-helixtrans-61.4-40.517500000111.2T392 E393 Y399 Q400T392-A396 VanDerWaalsContact O-CB 3.31Å; T392-A396 WeakPolarHBondContact O-CB 3.36Å; T392-A396 PolarHBondContact O-N 2.7Å; E393-A396 PolarHBondContact O-N 2.82Å; A396-Y399 PolarHBondContact O-N 2.75Å; A396-Q400 WeakPolarHBondContact O-CB 3.19Å; A396-Q400 PolarHBondContact O-N 3.42Å
397R69.4Low60.1Low148 Ų14886 Ų8656%0.55847%0.469SS*.Hα-helixtrans-64.7-44.2173-68.4-168.3-155.2-168.47.9112.3E393 Q394 M395 Y399 Q400 D401E393-R397 WeakPolarHBondContact O-CG 3.33Å; E393-R397 PolarHBondContact O-N 3.4Å; E393-R397 IonicContact OE1-CZ 3.66Å; E393-R397 IonicContact OE1-NE 2.67Å; E393-R397 IonicContact OE1-NH2 2.76Å; E393-R397 PolarHBondContact OE1-NH2 3.45Å; Q394-R397 PolarHBondContact O-N 3.2Å; M395-R397 VanDerWaalsContact C-N 3.3Å; M395-R397 PolarHBondContact O-N 2.97Å; R397-Y399 PolarHBondContact O-N 3.38Å; R397-Q400 PolarHBondContact O-N 3.38Å; R397-D401 WeakPolarHBondContact O-CB 3.46Å; R397-D401 VanDerWaalsContact O-CG 3.24Å; R397-D401 PolarHBondContact O-N 3.16Å
398I68Low59.4Low6 Ų686 Ų863%0.03147%0.467CS..Hα-helixtrans-57.5-48.5175.2-78.4166.7000111.3F189 Q394 M395 L402F189-I398 HydrophobicContact CE1-CG2 3.49Å; F189-I398 VanDerWaalsContact CE1-CG2 3.49Å; F189-I398 HydrophobicContact CE2-CD1 4.21Å; F189-I398 HydrophobicContact CE2-CG1 4.01Å; F189-I398 HydrophobicContact CE2-CG2 4.38Å; F189-I398 HydrophobicContact CZ-CB 4Å; F189-I398 HydrophobicContact CZ-CD1 4.1Å; F189-I398 HydrophobicContact CZ-CG1 3.7Å; F189-I398 HydrophobicContact CZ-CG2 3.3Å; Q394-I398 HydrophobicContact CG-CD1 4.34Å; Q394-I398 WeakPolarHBondContact O-CG1 3.36Å; Q394-I398 PolarHBondContact O-N 2.94Å; M395-I398 WeakPolarHBondContact O-CB 3.47Å; M395-I398 PolarHBondContact O-N 3.27Å; I398-L402 HydrophobicContact CG2-CD1 3.95Å; I398-L402 WeakPolarHBondContact O-CB 3.3Å; I398-L402 VanDerWaalsContact O-CD1 3.29Å; I398-L402 WeakPolarHBondContact O-CD1 3.36Å; I398-L402 VanDerWaalsContact O-CG 3.27Å; I398-L402 WeakPolarHBondContact O-CG 3.46Å; I398-L402 PolarHBondContact O-N 2.68Å
399Y68.6Low58.6Low57 Ų5790.4 Ų90.422%0.22448%0.484CS..Hα-helixtrans-62.9-45.6177.8-176.6-100.8000111F317 L320 M366 M395 A396 R397 L402 C403F317-Y399 AromaticContact CD1-CD2 3.59Å; F317-Y399 HydrophobicContact CD1-CD2 3.59Å; F317-Y399 AromaticContact CD1-CE2 3.64Å; F317-Y399 HydrophobicContact CD1-CE2 3.64Å; F317-Y399 AromaticContact CE1-CD2 3.6Å; F317-Y399 HydrophobicContact CE1-CD2 3.6Å; F317-Y399 HydrophobicContact CE1-CE2 4.13Å; F317-Y399 HydrophobicContact CG-CD2 4.44Å; F317-Y399 HydrophobicContact CG-CE2 4.36Å; F317-Y399 HydrophobicContact CZ-CD2 4.45Å; L320-Y399 HydrophobicContact CD2-CE2 4.22Å; M366-Y399 HydrophobicContact SD-CD2 4.37Å; M395-Y399 WeakPolarHBondContact O-CB 3.44Å; M395-Y399 PolarHBondContact O-N 2.53Å; A396-Y399 PolarHBondContact O-N 2.75Å; R397-Y399 PolarHBondContact O-N 3.38Å; Y399-L402 PolarHBondContact O-N 2.94Å; Y399-C403 VanDerWaalsContact CE1-SG 3.59Å; Y399-C403 VanDerWaalsContact CZ-SG 3.54Å; Y399-C403 WeakPolarHBondContact O-CB 3.19Å; Y399-C403 PolarHBondContact O-N 2.87Å; Y399-C403 PolarHBondContact O-SG 3.12Å
400Q70.6Confident57.4Low129 Ų12996.8 Ų96.860%0.60350%0.501SS*.Hα-helixtrans-65.2-43.9-179.8-171170.21100112.6A396 R397 L402 C403 S404A396-Q400 WeakPolarHBondContact O-CB 3.19Å; A396-Q400 PolarHBondContact O-N 3.42Å; R397-Q400 PolarHBondContact O-N 3.38Å; Q400-L402 VanDerWaalsContact C-N 3.26Å; Q400-L402 PolarHBondContact O-N 2.92Å; Q400-C403 PolarHBondContact O-N 3.37Å; Q400-S404 WeakPolarHBondContact O-CB 3.48Å; Q400-S404 PolarHBondContact O-N 3.36Å; Q400-S404 PolarHBondContact O-OG 3.19Å
401D67.8Low56.2Low91 Ų9197.8 Ų97.849%0.48751%0.509SS..Hα-helixtrans-58.6-39.7175.8-76.3-10.9000111R397 S404 Y405R397-D401 WeakPolarHBondContact O-CB 3.46Å; R397-D401 VanDerWaalsContact O-CG 3.24Å; R397-D401 PolarHBondContact O-N 3.16Å; D401-S404 WeakPolarHBondContact CA-OG 3.5Å; D401-S404 PolarHBondContact O-OG 3.23Å; D401-Y405 PolarHBondContact O-N 2.95Å; D401-Y405 VanDerWaalsContact O-N 3.11Å
402L64.4Low55.1Low45 Ų45100.4 Ų100.424%0.23653%0.531CS..Hα-helixtrans-78.1-35.8-179-68.8163000112.5F189 F317 I398 Y399 Q400 S404 Y405F189-L402 HydrophobicContact CE1-CD1 3.66Å; F189-L402 HydrophobicContact CZ-CD1 3.83Å; F317-L402 HydrophobicContact CD2-CB 4.24Å; F317-L402 HydrophobicContact CD2-CD1 4.3Å; F317-L402 HydrophobicContact CE2-CB 4.01Å; F317-L402 HydrophobicContact CE2-CD1 3.33Å; F317-L402 HydrophobicContact CE2-CG 4.21Å; F317-L402 HydrophobicContact CZ-CD1 3.84Å; I398-L402 HydrophobicContact CG2-CD1 3.95Å; I398-L402 WeakPolarHBondContact O-CB 3.3Å; I398-L402 VanDerWaalsContact O-CD1 3.29Å; I398-L402 WeakPolarHBondContact O-CD1 3.36Å; I398-L402 VanDerWaalsContact O-CG 3.27Å; I398-L402 WeakPolarHBondContact O-CG 3.46Å; I398-L402 PolarHBondContact O-N 2.68Å; Y399-L402 PolarHBondContact O-N 2.94Å; Q400-L402 VanDerWaalsContact C-N 3.26Å; Q400-L402 PolarHBondContact O-N 2.92Å; L402-S404 VanDerWaalsContact C-N 3.33Å; L402-Y405 PolarHBondContact O-N 3.33Å
403C63.8Low53.7Low68 Ų68103 Ų10346%0.45955%0.55SS.*Hα-helixtrans-70-28.3172.4-71.80000112.9Y399 Q400Y399-C403 VanDerWaalsContact CE1-SG 3.59Å; Y399-C403 VanDerWaalsContact CZ-SG 3.54Å; Y399-C403 WeakPolarHBondContact O-CB 3.19Å; Y399-C403 PolarHBondContact O-N 2.87Å; Y399-C403 PolarHBondContact O-SG 3.12Å; Q400-C403 PolarHBondContact O-N 3.37Å
404S63.2Low52.3Low78 Ų78108.1 Ų108.155%0.54557%0.566SS.*Hα-helixtrans-86.7-13.8177.449.60000113.4Q400 D401 L402 S406Q400-S404 WeakPolarHBondContact O-CB 3.48Å; Q400-S404 PolarHBondContact O-N 3.36Å; Q400-S404 PolarHBondContact O-OG 3.19Å; D401-S404 WeakPolarHBondContact CA-OG 3.5Å; D401-S404 PolarHBondContact O-OG 3.23Å; L402-S404 VanDerWaalsContact C-N 3.33Å; S404-S406 VanDerWaalsContact C-N 3.32Å; S404-S406 PolarHBondContact O-N 3.42Å
405Y48.8Very low50.8Low190 Ų190114 Ų11475%0.74559%0.585SS**  trans-72.182.3169.6-118.6-93000111.3D401 L402 V407D401-Y405 PolarHBondContact O-N 2.95Å; D401-Y405 VanDerWaalsContact O-N 3.11Å; L402-Y405 PolarHBondContact O-N 3.33Å; Y405-V407 PolarHBondContact O-N 3.31Å
406S41.8Very low49.2Very low100 Ų100119.1 Ų119.170%0.69961%0.613SS**  trans-74.5116160.2400000108.3S404 P408S404-S406 VanDerWaalsContact C-N 3.32Å; S404-S406 PolarHBondContact O-N 3.42Å; S406-P408 WeakPolarHBondContact O-CD 3.44Å
407V39.2Very low47.8Very low120 Ų120124.4 Ų124.473%0.72763%0.634SS**  trans-54.2122.7171.6177.50000107.7Y405 Q409Y405-V407 PolarHBondContact O-N 3.31Å; V407-Q409 PolarHBondContact O-N 3.14Å
408P34.6Very low46.2Very low111 Ų111125.1 Ų125.172%0.72165%0.646SS**  trans-61.7111.9169.5-15.127.6000106.9S406 R410S406-P408 WeakPolarHBondContact O-CD 3.44Å; P408-R410 PolarHBondContact O-N 3.43Å
409Q35.1Very low44.7Very low185 Ų185129.8 Ų129.886%0.86468%0.676SS**  trans-59113.8164.7-68.7-143.8-10.300106.4V407 P411V407-Q409 PolarHBondContact O-N 3.14Å; Q409-P411 WeakPolarHBondContact O-CD 3.17Å; Q409-P411 VanDerWaalsContact O-N 3.14Å
410R29.9Very low43Very low235 Ų235135.2 Ų135.289%0.88771%0.708SS**  trans-52.9123.4169-88.8-176.4178159.60.3106.9P408 A412P408-R410 PolarHBondContact O-N 3.43Å; R410-A412 PolarHBondContact O-N 3.02Å
411P32.2Very low41.4Very low117 Ų117135.1 Ų135.176%0.7672%0.716SS**  trans-60.3133.4171.323.7-29.1000107.6Q409 C413Q409-P411 WeakPolarHBondContact O-CD 3.17Å; Q409-P411 VanDerWaalsContact O-N 3.14Å; P411-C413 PolarHBondContact O-N 3.11Å
412A34.9Very low39.9Very low94 Ų94139 Ų13978%0.77776%0.76SS**  trans-55.4104.6174.600000108.5R410 Y414R410-A412 PolarHBondContact O-N 3.02Å; A412-Y414 PolarHBondContact O-N 3.3Å
413C32.3Very low38.6Very low107 Ų107143.7 Ų143.772%0.72379%0.786SS**  trans-70.984.1169.5164.20000107.4P411 R415P411-C413 PolarHBondContact O-N 3.11Å; C413-R415 PolarHBondContact O-N 3.06Å
414Y35.8Very low37.3Very low209 Ų209147.6 Ų147.682%0.8280%0.803SS**  trans-65.9105.2151.7-110.3-93.1000106A412A412-Y414 PolarHBondContact O-N 3.3Å
415R35.3Very low35.9Very low219 Ų219151.5 Ų151.583%0.82682%0.818SS**  trans-103.9109.2160.6-99.9-166.7173.9-171-0.4107.2C413C413-R415 PolarHBondContact O-N 3.06Å
416D33.1Very low35.1Very low143 Ų143149.2 Ų149.277%0.76582%0.822SS**  trans-53.2138.3168.4-80-45.5000111M418D416-M418 PolarHBondContact O-N 3.46Å
417N34.8Very low34.7Very low160 Ų160152.3 Ų152.386%0.85683%0.83SS**  trans-63.2114.7171.1-66.8-45.8000109.5
418M36.7Very low34.4Very low164 Ų164154.5 Ų154.581%0.80884%0.837SS**  trans-104.9123.5161.1-83.8-65-62.600109.2D416 I420D416-M418 PolarHBondContact O-N 3.46Å; M418-I420 PolarHBondContact O-N 3.43Å
419P35.3Very low34.4Very low103 Ų103157.6 Ų157.667%0.66985%0.845SS**  trans-73.3126.2176.328.5-31.2000110.3T421P419-T421 PolarHBondContact O-N 2.73Å
420I33.7Very low34.3Very low172 Ų172155.5 Ų155.588%0.88284%0.843SS**  trans-70.2122.3169.7-61.7171.6000107.2M418M418-I420 PolarHBondContact O-N 3.43Å
421T37.6Very low34.7Very low127 Ų127148.8 Ų148.878%0.77984%0.84SS**  trans-111.2128171.5-28.50000108.4P419P419-T421 PolarHBondContact O-N 2.73Å
422A35Very low34.9Very low171 Ų171151.7 Ų151.7100%1.41385%0.847SS**  trans46.50166.700000119

Retrieved 422 of 422 residues in 377.9 ms (Link to these results)

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