A0A077ZEA9_TRITR Loading...

Protein transport protein SEC23

Component of the coat protein complex II (COPII) which promotes the formation of transport vesicles from the endoplasmic reticulum (ER). The coat has two main functions, the physical deformation of the endoplasmic reticulum membrane into vesicles and the selection of cargo molecules.

AlphaFold DB , UniProt , Accession A0A077ZEA9, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 776 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
1M73.3Confident91Very high168 Ų16867.1 Ų67.183%0.82835%0.351SS*.  0118.20-169.3175.6-80.900107.1E5 F6M1-E5 WeakPolarHBondContact CA-OE2 3.14Å; M1-E5 HydrophobicContact CG-CB 3.5Å; M1-E5 VanDerWaalsContact CG-CB 3.5Å; M1-F6 HydrophobicContact CG-CB 4.19Å; M1-F6 VanDerWaalsContact SD-CA 3.56Å; M1-F6 HydrophobicContact SD-CB 3.87Å; M1-F6 HydrophobicContact SD-CD2 4.27Å
2S90.1Very high91Very high58 Ų5868.7 Ų68.741%0.40636%0.355SS..  trans-65.7164.317272.30000110.2A4 E5 F6S2-A4 VanDerWaalsContact C-N 3.28Å; S2-A4 PolarHBondContact O-N 3.02Å; S2-E5 PolarHBondContact N-OE2 3.01Å; S2-E5 PolarHBondContact O-N 2.91Å; S2-E5 VanDerWaalsContact OG-CG 3.28Å; S2-E5 WeakPolarHBondContact OG-CG 3.43Å; S2-E5 PolarHBondContact OG-N 3.08Å; S2-E5 VanDerWaalsContact OG-N 3.11Å; S2-F6 PolarHBondContact O-N 3.05Å
3W91.6Very high91Very high92 Ų9266.2 Ų66.235%0.34834%0.343SS..Hα-helixtrans-61.7-37.7174.3-78.9114.4000112.3F6 I7 N21 I22 A527W3-F6 AromaticContact CE3-CD1 3.91Å; W3-F6 HydrophobicContact CE3-CD1 3.91Å; W3-F6 HydrophobicContact CE3-CG 4.45Å; W3-F6 AromaticContact CZ3-CD1 3.88Å; W3-F6 HydrophobicContact CZ3-CD1 3.88Å; W3-F6 HydrophobicContact CZ3-CE1 4.15Å; W3-F6 PolarHBondContact O-N 3.19Å; W3-I7 WeakPolarHBondContact O-CB 3.47Å; W3-I7 WeakPolarHBondContact O-CD1 3.3Å; W3-I7 WeakPolarHBondContact O-CG1 3.5Å; W3-I7 PolarHBondContact O-N 3.49Å; W3-N21 HydrophobicContact CE3-CB 4.26Å; W3-N21 HydrophobicContact CH2-CB 4.37Å; W3-N21 HydrophobicContact CZ3-CB 3.67Å; W3-I22 HydrophobicContact CH2-CD1 3.59Å; W3-I22 HydrophobicContact CH2-CG1 3.74Å; W3-I22 HydrophobicContact CZ2-CD1 3.45Å; W3-I22 VanDerWaalsContact CZ2-CD1 3.45Å; W3-I22 HydrophobicContact CZ2-CG1 4.12Å; W3-A527 PolarHBondContact NE1-O 3.02Å; W3-A527 VanDerWaalsContact NE1-O 3.14Å
4A90.9Very high91.3Very high55 Ų5561.6 Ų61.646%0.45532%0.32SS..Hα-helixtrans-60.3-48.9175.100000111.3S2 F6 I7 H8S2-A4 VanDerWaalsContact C-N 3.28Å; S2-A4 PolarHBondContact O-N 3.02Å; A4-F6 VanDerWaalsContact C-N 3.31Å; A4-F6 PolarHBondContact O-N 3.15Å; A4-I7 PolarHBondContact O-N 3.2Å; A4-H8 PolarHBondContact O-CD2 3.19Å; A4-H8 PolarHBondContact O-N 2.97Å
5E93.2Very high91.6Very high110 Ų11057.7 Ų57.751%0.51430%0.3SS..Hα-helixtrans-59.6-41176.1-71.5167.2174.600112M1 S2 A9M1-E5 WeakPolarHBondContact CA-OE2 3.14Å; M1-E5 HydrophobicContact CG-CB 3.5Å; M1-E5 VanDerWaalsContact CG-CB 3.5Å; S2-E5 PolarHBondContact N-OE2 3.01Å; S2-E5 PolarHBondContact O-N 2.91Å; S2-E5 VanDerWaalsContact OG-CG 3.28Å; S2-E5 WeakPolarHBondContact OG-CG 3.43Å; S2-E5 PolarHBondContact OG-N 3.08Å; S2-E5 VanDerWaalsContact OG-N 3.11Å; E5-A9 VanDerWaalsContact O-CB 3.23Å; E5-A9 WeakPolarHBondContact O-CB 3.4Å; E5-A9 PolarHBondContact O-N 3.48Å
6F94.4Very high92Very high52 Ų5254.1 Ų54.123%0.22828%0.281CS..Hα-helixtrans-63.4-46.7176.8173.2-98000112M1 S2 W3 A4 A9 Q10 N21M1-F6 HydrophobicContact CG-CB 4.19Å; M1-F6 VanDerWaalsContact SD-CA 3.56Å; M1-F6 HydrophobicContact SD-CB 3.87Å; M1-F6 HydrophobicContact SD-CD2 4.27Å; S2-F6 PolarHBondContact O-N 3.05Å; W3-F6 AromaticContact CE3-CD1 3.91Å; W3-F6 HydrophobicContact CE3-CD1 3.91Å; W3-F6 HydrophobicContact CE3-CG 4.45Å; W3-F6 AromaticContact CZ3-CD1 3.88Å; W3-F6 HydrophobicContact CZ3-CD1 3.88Å; W3-F6 HydrophobicContact CZ3-CE1 4.15Å; W3-F6 PolarHBondContact O-N 3.19Å; A4-F6 VanDerWaalsContact C-N 3.31Å; A4-F6 PolarHBondContact O-N 3.15Å; F6-A9 PolarHBondContact O-N 2.63Å; F6-Q10 HydrophobicContact CD1-CG 4.39Å; F6-Q10 HydrophobicContact CD2-CG 4.28Å; F6-Q10 HydrophobicContact CE1-CG 4.01Å; F6-Q10 HydrophobicContact CE2-CG 3.88Å; F6-Q10 HydrophobicContact CZ-CG 3.74Å; F6-Q10 WeakPolarHBondContact O-CB 3.48Å; F6-Q10 WeakPolarHBondContact O-CG 3.28Å; F6-Q10 PolarHBondContact O-N 3.45Å; F6-N21 HydrophobicContact CE1-CB 4.19Å
7I95Very high92.4Very high17 Ų1751.4 Ų51.49%0.08727%0.266CS..Hα-helixtrans-61.8-49.1179.9-72.5168.3000110.3W3 A4 Q10 E11 D530W3-I7 WeakPolarHBondContact O-CB 3.47Å; W3-I7 WeakPolarHBondContact O-CD1 3.3Å; W3-I7 WeakPolarHBondContact O-CG1 3.5Å; W3-I7 PolarHBondContact O-N 3.49Å; A4-I7 PolarHBondContact O-N 3.2Å; I7-Q10 PolarHBondContact O-N 3.46Å; I7-E11 PolarHBondContact O-N 2.85Å; I7-D530 HydrophobicContact CD1-CB 3.98Å; I7-D530 WeakPolarHBondContact CG2-OD2 3.44Å
8H92.5Very high92.7Very high108 Ų10848.6 Ų48.650%0.525%0.252SS..Hα-helixtrans-61.6-45.3177.6-74.5-63.2000112.3A4 Q10 E11 E12A4-H8 PolarHBondContact O-CD2 3.19Å; A4-H8 PolarHBondContact O-N 2.97Å; H8-Q10 VanDerWaalsContact C-N 3.31Å; H8-Q10 PolarHBondContact O-N 2.85Å; H8-E11 PolarHBondContact O-N 2.65Å; H8-E12 WeakPolarHBondContact O-CB 3.32Å; H8-E12 PolarHBondContact O-N 2.85Å
9A91.8Very high93Very high37 Ų3746.1 Ų46.131%0.30624%0.239SC..Hα-helixtrans-63-3717900000112.5E5 F6 N13E5-A9 VanDerWaalsContact O-CB 3.23Å; E5-A9 WeakPolarHBondContact O-CB 3.4Å; E5-A9 PolarHBondContact O-N 3.48Å; F6-A9 PolarHBondContact O-N 2.63Å; A9-N13 VanDerWaalsContact O-CB 3.23Å; A9-N13 WeakPolarHBondContact O-CB 3.48Å; A9-N13 PolarHBondContact O-N 2.92Å
10Q93.3Very high93.2Very high29 Ų2943.8 Ų43.814%0.13623%0.227CC..Hα-helixtrans-69-41.8175.4-70.8-72-75.900111.9F6 I7 H8 D14 G15 I16 T511 R513F6-Q10 HydrophobicContact CD1-CG 4.39Å; F6-Q10 HydrophobicContact CD2-CG 4.28Å; F6-Q10 HydrophobicContact CE1-CG 4.01Å; F6-Q10 HydrophobicContact CE2-CG 3.88Å; F6-Q10 HydrophobicContact CZ-CG 3.74Å; F6-Q10 WeakPolarHBondContact O-CB 3.48Å; F6-Q10 WeakPolarHBondContact O-CG 3.28Å; F6-Q10 PolarHBondContact O-N 3.45Å; I7-Q10 PolarHBondContact O-N 3.46Å; H8-Q10 VanDerWaalsContact C-N 3.31Å; H8-Q10 PolarHBondContact O-N 2.85Å; Q10-D14 WeakPolarHBondContact O-CA 3.47Å; Q10-D14 WeakPolarHBondContact O-CB 3.47Å; Q10-D14 PolarHBondContact O-N 3.24Å; Q10-G15 PolarHBondContact O-N 3.45Å; Q10-I16 HydrophobicContact CB-CG1 4.19Å; Q10-T511 PolarHBondContact OE1-OG1 3.08Å; Q10-R513 VanDerWaalsContact OE1-NH1 3.17Å
11E94.7Very high93.4Very high12 Ų1241.9 Ų41.96%0.05622%0.217CC..Hα-helixtrans-63.6-42.8176.4-177.9172.3-173.400111.8I7 H8 G15 I16 R17 K45I7-E11 PolarHBondContact O-N 2.85Å; H8-E11 PolarHBondContact O-N 2.65Å; E11-G15 WeakPolarHBondContact O-CA 3.28Å; E11-G15 PolarHBondContact O-N 3.19Å; E11-I16 WeakPolarHBondContact CA-O 3.34Å; E11-I16 PolarHBondContact N-O 3.43Å; E11-R17 HydrophobicContact CB-CG 4.09Å; E11-R17 HydrophobicContact CG-CG 4.08Å; E11-R17 VanDerWaalsContact OE2-CD 3.3Å; E11-R17 WeakPolarHBondContact OE2-CD 3.06Å; E11-R17 IonicContact OE2-CZ 2.76Å; E11-R17 IonicContact OE2-NE 3.13Å; E11-R17 IonicContact OE2-NH1 3.48Å; E11-R17 PolarHBondContact OE2-NH1 3.25Å; E11-K45 IonicContact OE1-NZ 3.19Å
12E91.8Very high94.4Very high86 Ų8634.4 Ų34.440%0.40218%0.18SC..Hα-helixtrans-66.5-43.7179.3-172.9-179176.800112.4H8 S48H8-E12 WeakPolarHBondContact O-CB 3.32Å; H8-E12 PolarHBondContact O-N 2.85Å; E12-S48 WeakPolarHBondContact OE1-CB 3.07Å
13N91.2Very high94.6Very high37 Ų3731.7 Ų31.720%0.19816%0.161CC..Hα-helixtrans-82.1-41.5-174.2-178.250.9000113.8A9 R47 T118A9-N13 VanDerWaalsContact O-CB 3.23Å; A9-N13 WeakPolarHBondContact O-CB 3.48Å; A9-N13 PolarHBondContact O-N 2.92Å; N13-R47 PolarHBondContact O-NE 3.06Å; N13-R47 VanDerWaalsContact O-NE 3.15Å; N13-R47 PolarHBondContact O-NH2 2.82Å; N13-R47 PolarHBondContact OD1-NH2 3.45Å; N13-T118 PolarHBondContact ND2-OG1 3.35Å
14D94.7Very high94.6Very high2 Ų227.4 Ų27.41%0.01115%0.145CC..Hα-helixtrans-116.4-9.1-169.5-68.9-43.9000113.6Q10 I16 T118 T119 T509Q10-D14 WeakPolarHBondContact O-CA 3.47Å; Q10-D14 WeakPolarHBondContact O-CB 3.47Å; Q10-D14 PolarHBondContact O-N 3.24Å; D14-I16 VanDerWaalsContact C-N 3.33Å; D14-I16 HydrophobicContact CB-CD1 3.96Å; D14-I16 HydrophobicContact CB-CG1 3.83Å; D14-I16 HydrophobicContact CB-CG2 4.5Å; D14-T118 VanDerWaalsContact CG-OG1 3.22Å; D14-T118 WeakPolarHBondContact OD1-CB 3.28Å; D14-T118 PolarHBondContact OD1-OG1 3.16Å; D14-T118 PolarHBondContact OD2-OG1 2.94Å; D14-T119 WeakPolarHBondContact OD1-CB 3.17Å; D14-T119 PolarHBondContact OD1-N 3.08Å; D14-T119 PolarHBondContact OD1-OG1 3.27Å; D14-T509 HydrophobicContact CB-CG2 3.85Å
15G96.2Very high94.5Very high2 Ų225.3 Ų25.32%0.02113%0.126CC..  trans66.633.9-177.700000112.9Q10 E11 F41 T42Q10-G15 PolarHBondContact O-N 3.45Å; E11-G15 WeakPolarHBondContact O-CA 3.28Å; E11-G15 PolarHBondContact O-N 3.19Å; G15-F41 CarbonylContact O-C 3.59Å; G15-F41 WeakPolarHBondContact O-CA 3.41Å; G15-T42 PolarHBondContact O-N 3.02Å
16I97.6Very high94.1Very high1 Ų121.1 Ų21.11%0.00511%0.107CC..EExtended strand (participates in β ladder)trans-123.5142.8-176.960.5177.6000113.2Q10 E11 D14 F18 H40 F41 F493 T509 T511Q10-I16 HydrophobicContact CB-CG1 4.19Å; E11-I16 WeakPolarHBondContact CA-O 3.34Å; E11-I16 PolarHBondContact N-O 3.43Å; D14-I16 VanDerWaalsContact C-N 3.33Å; D14-I16 HydrophobicContact CB-CD1 3.96Å; D14-I16 HydrophobicContact CB-CG1 3.83Å; D14-I16 HydrophobicContact CB-CG2 4.5Å; I16-F18 HydrophobicContact CD1-CE2 4.11Å; I16-H40 CarbonylContact C-O 3.46Å; I16-H40 VanDerWaalsContact CA-O 3.27Å; I16-H40 WeakPolarHBondContact CA-O 3.15Å; I16-F41 HydrophobicContact CG2-CB 4.49Å; I16-F41 HydrophobicContact CG2-CD2 3.64Å; I16-F41 HydrophobicContact CG2-CE2 4.36Å; I16-F41 HydrophobicContact CG2-CG 4.48Å; I16-F493 HydrophobicContact CG2-CE2 4.41Å; I16-T509 HydrophobicContact CG2-CG2 4.49Å; I16-T511 HydrophobicContact CD1-CG2 3.79Å; I16-T511 WeakPolarHBondContact CD1-OG1 3.46Å
17R98.2Very high93.7Very high8 Ų824.4 Ų24.43%0.0312%0.118CC..EExtended strand (participates in β ladder)trans-136.8118.4167.3-71.8-77.7-67.6-106.95.6109E11 C39 H40 D530 E532 A533 V625E11-R17 HydrophobicContact CB-CG 4.09Å; E11-R17 HydrophobicContact CG-CG 4.08Å; E11-R17 VanDerWaalsContact OE2-CD 3.3Å; E11-R17 WeakPolarHBondContact OE2-CD 3.06Å; E11-R17 IonicContact OE2-CZ 2.76Å; E11-R17 IonicContact OE2-NE 3.13Å; E11-R17 IonicContact OE2-NH1 3.48Å; E11-R17 PolarHBondContact OE2-NH1 3.25Å; R17-C39 WeakPolarHBondContact O-CA 3.42Å; R17-H40 HydrophobicContact CB-CB 4.3Å; R17-H40 PolarHBondContact N-O 3.37Å; R17-H40 PolarHBondContact O-CD2 3.03Å; R17-H40 PolarHBondContact O-N 2.94Å; R17-D530 IonicContact CZ-OD1 3.7Å; R17-D530 IonicContact CZ-OD2 2.64Å; R17-D530 VanDerWaalsContact CZ-OD2 3.28Å; R17-D530 IonicContact NE-OD1 3.77Å; R17-D530 IonicContact NE-OD2 3.75Å; R17-D530 PolarHBondContact NE-OD2 3.35Å; R17-D530 VanDerWaalsContact NH2-CG 3.34Å; R17-D530 IonicContact NH2-OD1 2.86Å; R17-D530 PolarHBondContact NH2-OD1 3.41Å; R17-D530 IonicContact NH2-OD2 3.97Å; R17-D530 PolarHBondContact NH2-OD2 3.13Å; R17-E532 IonicContact CZ-OE2 3.8Å; R17-E532 IonicContact NH1-OE2 3.8Å; R17-E532 PolarHBondContact NH1-OE2 3.24Å; R17-E532 IonicContact NH2-OE2 2.79Å; R17-E532 PolarHBondContact NH2-OE2 2.91Å; R17-A533 HydrophobicContact CB-CB 4.2Å; R17-V625 HydrophobicContact CB-CG2 3.78Å; R17-V625 HydrophobicContact CG-CB 4.34Å; R17-V625 HydrophobicContact CG-CG2 3.94Å
18F98.4Very high93.3Very high1 Ų127.2 Ų27.20%0.00413%0.132CC..EExtended strand (participates in β ladder)trans-96.9143176.3-81.2-90.5000110.9I16 W20 W23 L37 A38 C39 F473 T511 D530I16-F18 HydrophobicContact CD1-CE2 4.11Å; F18-W20 VanDerWaalsContact C-N 3.28Å; F18-W20 PolarHBondContact O-N 3.39Å; F18-W23 AromaticContact CD1-CZ2 4Å; F18-W23 HydrophobicContact CD1-CZ2 4Å; F18-W23 HydrophobicContact CE1-CH2 4.36Å; F18-W23 AromaticContact CE1-CZ2 3.58Å; F18-W23 HydrophobicContact CE1-CZ2 3.58Å; F18-W23 HydrophobicContact CZ-CH2 4.42Å; F18-W23 AromaticContact CZ-CZ2 3.92Å; F18-W23 HydrophobicContact CZ-CZ2 3.92Å; F18-L37 HydrophobicContact CD1-CD1 4Å; F18-A38 CarbonylContact C-O 3.6Å; F18-A38 VanDerWaalsContact CA-O 3.25Å; F18-A38 WeakPolarHBondContact CA-O 3.39Å; F18-C39 HydrophobicContact CD1-CB 3.79Å; F18-C39 HydrophobicContact CE1-CB 3.49Å; F18-C39 VanDerWaalsContact CE1-CB 3.49Å; F18-C39 HydrophobicContact CE2-CB 4.25Å; F18-C39 VanDerWaalsContact CE2-SG 3.59Å; F18-C39 HydrophobicContact CG-CB 4.3Å; F18-C39 HydrophobicContact CZ-CB 3.75Å; F18-C39 VanDerWaalsContact CZ-SG 3.59Å; F18-F473 HydrophobicContact CE1-CE2 4.48Å; F18-T511 HydrophobicContact CE2-CG2 3.8Å; F18-T511 HydrophobicContact CZ-CG2 4.04Å; F18-D530 VanDerWaalsContact O-CB 3.23Å; F18-D530 WeakPolarHBondContact O-CB 3.31Å
19T98.1Very high93Very high0 Ų023.1 Ų23.10%011%0.113CC..SBendtrans-63.9-35.2171.654.70000112.3V35 P36 A38 F529 D530 A533 A534 A537T19-V35 HydrophobicContact CG2-CG1 4.19Å; T19-P36 PolarHBondContact OG1-O 3.48Å; T19-A38 HydrophobicContact CG2-CB 3.77Å; T19-A38 PolarHBondContact N-O 2.87Å; T19-A38 PolarHBondContact OG1-N 3Å; T19-F529 WeakPolarHBondContact O-CD2 3.22Å; T19-D530 PolarHBondContact O-N 3.31Å; T19-A533 HydrophobicContact CG2-CB 4.47Å; T19-A534 HydrophobicContact CG2-CB 4.41Å; T19-A537 HydrophobicContact CG2-CB 3.84Å
20W97.1Very high92.9Very high0 Ų022.1 Ų22.10%011%0.105CC..BIsolated β-bridgetrans-129.7121.8175.9-55.594.3000109.7F18 W23 L33 V35 L37 V525 F529 F570 F587F18-W20 VanDerWaalsContact C-N 3.28Å; F18-W20 PolarHBondContact O-N 3.39Å; W20-W23 PolarHBondContact O-NE1 2.8Å; W20-L33 HydrophobicContact CD2-CD1 4.25Å; W20-L33 HydrophobicContact CD2-CD2 4.21Å; W20-L33 HydrophobicContact CE3-CD2 4.29Å; W20-L33 HydrophobicContact CG-CD1 4.16Å; W20-L33 HydrophobicContact CH2-CD2 4.26Å; W20-L33 HydrophobicContact CZ2-CB 3.92Å; W20-L33 HydrophobicContact CZ2-CD2 4.15Å; W20-L33 HydrophobicContact CZ2-CG 4.5Å; W20-L33 WeakPolarHBondContact CZ2-O 3.42Å; W20-L33 HydrophobicContact CZ3-CD2 4.31Å; W20-V35 HydrophobicContact CZ2-CB 4.23Å; W20-V35 PolarHBondContact NE1-O 3.39Å; W20-L37 HydrophobicContact CB-CD1 4.08Å; W20-V525 HydrophobicContact CE3-CG1 3.87Å; W20-V525 HydrophobicContact CZ3-CG1 4.08Å; W20-F529 AromaticContact CD2-CD2 3.76Å; W20-F529 HydrophobicContact CD2-CD2 3.76Å; W20-F529 HydrophobicContact CD2-CE2 4.46Å; W20-F529 AromaticContact CE2-CD2 3.68Å; W20-F529 AromaticContact CE2-CE2 3.94Å; W20-F529 HydrophobicContact CE3-CB 3.93Å; W20-F529 AromaticContact CE3-CD2 3.66Å; W20-F529 HydrophobicContact CE3-CD2 3.66Å; W20-F529 HydrophobicContact CE3-CG 4.25Å; W20-F529 HydrophobicContact CH2-CB 4.32Å; W20-F529 AromaticContact CH2-CD2 3.38Å; W20-F529 HydrophobicContact CH2-CD2 3.38Å; W20-F529 AromaticContact CH2-CE2 3.85Å; W20-F529 HydrophobicContact CH2-CE2 3.85Å; W20-F529 HydrophobicContact CH2-CG 4.03Å; W20-F529 AromaticContact CZ2-CD2 3.51Å; W20-F529 HydrophobicContact CZ2-CD2 3.51Å; W20-F529 AromaticContact CZ2-CE2 3.62Å; W20-F529 HydrophobicContact CZ2-CE2 3.62Å; W20-F529 HydrophobicContact CZ3-CB 3.68Å; W20-F529 AromaticContact CZ3-CD2 3.48Å; W20-F529 HydrophobicContact CZ3-CD2 3.48Å; W20-F529 VanDerWaalsContact CZ3-CD2 3.48Å; W20-F529 HydrophobicContact CZ3-CE2 4.39Å; W20-F529 AromaticContact CZ3-CG 3.88Å; W20-F529 HydrophobicContact CZ3-CG 3.88Å; W20-F570 HydrophobicContact CH2-CD2 4.35Å; W20-F570 HydrophobicContact CH2-CE1 4.15Å; W20-F570 AromaticContact CH2-CE2 3.56Å; W20-F570 HydrophobicContact CH2-CE2 3.56Å; W20-F570 AromaticContact CH2-CZ 3.44Å; W20-F570 HydrophobicContact CH2-CZ 3.44Å; W20-F570 VanDerWaalsContact CH2-CZ 3.44Å; W20-F570 HydrophobicContact CZ2-CE2 4.28Å; W20-F570 HydrophobicContact CZ2-CZ 4.35Å; W20-F570 HydrophobicContact CZ3-CE1 4.24Å; W20-F570 HydrophobicContact CZ3-CE2 4.43Å; W20-F570 AromaticContact CZ3-CZ 3.9Å; W20-F570 HydrophobicContact CZ3-CZ 3.9Å; W20-F587 HydrophobicContact CH2-CE1 4.06Å; W20-F587 HydrophobicContact CH2-CZ 4.08Å; W20-F587 HydrophobicContact CZ3-CE1 4.49Å; W20-F587 HydrophobicContact CZ3-CZ 4.1Å
21N96.8Very high92.5Very high4 Ų427 Ų272%0.02113%0.128CC..SBendtrans-95.30.8178.2-67.3-76.9000113.4W3 F6 R513 G528W3-N21 HydrophobicContact CE3-CB 4.26Å; W3-N21 HydrophobicContact CH2-CB 4.37Å; W3-N21 HydrophobicContact CZ3-CB 3.67Å; F6-N21 HydrophobicContact CE1-CB 4.19Å; N21-R513 VanDerWaalsContact O-CD 3.3Å; N21-R513 WeakPolarHBondContact O-CD 3.16Å; N21-R513 PolarHBondContact OD1-NE 3.5Å; N21-R513 PolarHBondContact OD1-NH2 2.78Å; N21-R513 VanDerWaalsContact OD1-NH2 3.15Å; N21-G528 WeakPolarHBondContact CB-O 3.31Å; N21-G528 PolarHBondContact N-O 2.81Å; N21-G528 PolarHBondContact ND2-O 2.69Å
22I94.9Very high92.3Very high12 Ų1232.6 Ų32.66%0.06215%0.149CC..EExtended strand (participates in β ladder)trans-132.3130.1168.2-69.7174.5000106.9W3 V516 H524 V525W3-I22 HydrophobicContact CH2-CD1 3.59Å; W3-I22 HydrophobicContact CH2-CG1 3.74Å; W3-I22 HydrophobicContact CZ2-CD1 3.45Å; W3-I22 VanDerWaalsContact CZ2-CD1 3.45Å; W3-I22 HydrophobicContact CZ2-CG1 4.12Å; I22-V516 HydrophobicContact CG2-CB 4.15Å; I22-V516 HydrophobicContact CG2-CG1 3.55Å; I22-V516 HydrophobicContact CG2-CG2 3.47Å; I22-V516 VanDerWaalsContact CG2-CG2 3.47Å; I22-H524 HydrophobicContact CD1-CB 4.28Å; I22-H524 WeakPolarHBondContact CD1-O 3.43Å; I22-V525 HydrophobicContact CG2-CG2 4.3Å
23W94.9Very high92.2Very high1 Ų129 Ų290%0.00413%0.132CC..EExtended strand (participates in β ladder)trans-108.9134.5-170.4-57.9-21.7000111.8F18 W20 H25 L37 L426 G489 V491 R513 N514 W515 V516F18-W23 AromaticContact CD1-CZ2 4Å; F18-W23 HydrophobicContact CD1-CZ2 4Å; F18-W23 HydrophobicContact CE1-CH2 4.36Å; F18-W23 AromaticContact CE1-CZ2 3.58Å; F18-W23 HydrophobicContact CE1-CZ2 3.58Å; F18-W23 HydrophobicContact CZ-CH2 4.42Å; F18-W23 AromaticContact CZ-CZ2 3.92Å; F18-W23 HydrophobicContact CZ-CZ2 3.92Å; W20-W23 PolarHBondContact O-NE1 2.8Å; W23-H25 PolarHBondContact O-N 2.96Å; W23-L37 HydrophobicContact CD2-CD2 4.08Å; W23-L37 HydrophobicContact CG-CD1 4.49Å; W23-L37 HydrophobicContact CG-CD2 4.1Å; W23-L426 HydrophobicContact CE3-CD1 4.36Å; W23-L426 HydrophobicContact CE3-CD2 4.4Å; W23-L426 HydrophobicContact CH2-CD1 4.09Å; W23-L426 HydrophobicContact CZ3-CD1 3.68Å; W23-L426 HydrophobicContact CZ3-CD2 4.47Å; W23-L426 HydrophobicContact CZ3-CG 4.5Å; W23-G489 WeakPolarHBondContact CZ3-O 3.38Å; W23-V491 HydrophobicContact CH2-CG2 4.03Å; W23-R513 HydrophobicContact CD2-CB 3.66Å; W23-R513 HydrophobicContact CD2-CG 4.28Å; W23-R513 VanDerWaalsContact CE2-CG 3.49Å; W23-R513 HydrophobicContact CE3-CB 3.96Å; W23-R513 HydrophobicContact CG-CB 4.26Å; W23-R513 HydrophobicContact CH2-CB 3.83Å; W23-R513 HydrophobicContact CH2-CG 3.89Å; W23-R513 HydrophobicContact CZ2-CB 3.51Å; W23-R513 HydrophobicContact CZ2-CG 3.27Å; W23-R513 HydrophobicContact CZ3-CB 4.04Å; W23-N514 PolarHBondContact N-O 3.44Å; W23-W515 HydrophobicContact CB-CD2 4.3Å; W23-W515 HydrophobicContact CB-CE3 3.41Å; W23-W515 VanDerWaalsContact CB-CE3 3.41Å; W23-W515 HydrophobicContact CB-CH2 4.12Å; W23-W515 HydrophobicContact CB-CZ3 3.32Å; W23-W515 HydrophobicContact CD2-CH2 4.42Å; W23-W515 HydrophobicContact CD2-CZ3 4.46Å; W23-W515 HydrophobicContact CE3-CD2 4.48Å; W23-W515 HydrophobicContact CE3-CE3 4.44Å; W23-W515 AromaticContact CE3-CH2 3.72Å; W23-W515 HydrophobicContact CE3-CH2 3.72Å; W23-W515 AromaticContact CE3-CZ2 3.74Å; W23-W515 HydrophobicContact CE3-CZ2 3.74Å; W23-W515 HydrophobicContact CE3-CZ3 4.1Å; W23-W515 HydrophobicContact CG-CZ3 4.24Å; W23-W515 HydrophobicContact CZ3-CZ2 4.31Å; W23-W515 WeakPolarHBondContact O-CA 3.38Å; W23-V516 PolarHBondContact O-N 3.02Å
24P91Very high92.3Very high1 Ų128.9 Ų28.91%0.00613%0.133CC..EExtended strand (participates in β ladder)trans-68.1125.8170.526.6-31.1000109.7N26 E29 A30 L33 W515 A518P24-N26 PolarHBondContact O-N 3.38Å; P24-E29 HydrophobicContact CB-CB 4.09Å; P24-A30 VanDerWaalsContact CG-CA 3.47Å; P24-A30 HydrophobicContact CG-CB 3.72Å; P24-L33 HydrophobicContact CG-CD1 3.9Å; P24-L33 HydrophobicContact CG-CD2 4.4Å; P24-L33 HydrophobicContact CG-CG 4.29Å; P24-W515 VanDerWaalsContact O-CZ3 3.31Å; P24-W515 WeakPolarHBondContact O-CZ3 3.36Å; P24-A518 HydrophobicContact CB-CB 3.73Å
25H88.6Confident92.4Very high12 Ų1228.9 Ų28.96%0.05613%0.133CC..SBendtrans-69.7-24.1177.8-176-109.8000112.9W23 G476 G477 N481 P482 I483 P484 W515 V516W23-H25 PolarHBondContact O-N 2.96Å; H25-G476 CarbonylContact O-C 3.56Å; H25-G476 WeakPolarHBondContact O-CA 3.08Å; H25-G477 PolarHBondContact O-N 2.84Å; H25-N481 PolarHBondContact CE1-O 3.22Å; H25-N481 PolarHBondContact ND1-O 3.14Å; H25-P482 VanDerWaalsContact CE1-C 3.48Å; H25-P482 PolarHBondContact CE1-O 3.04Å; H25-I483 HydrophobicContact CB-CG1 3.94Å; H25-P484 WeakPolarHBondContact NE2-CD 3.47Å; H25-W515 HydrophobicContact CB-CB 4.3Å; H25-W515 HydrophobicContact CB-CE3 4.34Å; H25-V516 PolarHBondContact N-O 3.42Å
26N85.2Confident92.3Very high21 Ų2130.2 Ų30.211%0.11214%0.141CC..BIsolated β-bridgetrans-98.2136.4-176.780.361.9000110.9P24 I28 E29 A30P24-N26 PolarHBondContact O-N 3.38Å; N26-I28 VanDerWaalsContact C-N 3.31Å; N26-I28 PolarHBondContact O-N 2.69Å; N26-I28 PolarHBondContact OD1-N 3.02Å; N26-E29 WeakPolarHBondContact ND2-CG 3.5Å; N26-E29 WeakPolarHBondContact OD1-CA 3.28Å; N26-E29 WeakPolarHBondContact OD1-CB 3.31Å; N26-E29 WeakPolarHBondContact OD1-CG 3.38Å; N26-E29 PolarHBondContact OD1-N 2.87Å; N26-A30 PolarHBondContact O-N 3.44Å; N26-A30 VanDerWaalsContact O-N 3.09Å
27R85.1Confident92.3Very high121 Ų12130.4 Ų30.446%0.45714%0.142SC..Hα-helixtrans-63.3-32.3-175.9-170.5-179.9-175.4-166.11.8113.7A30 Q31 E474R27-A30 WeakPolarHBondContact O-CB 3.22Å; R27-A30 PolarHBondContact O-N 3.39Å; R27-Q31 WeakPolarHBondContact O-CG 3.29Å; R27-Q31 PolarHBondContact O-N 2.82Å; R27-E474 IonicContact CZ-OE1 3.62Å; R27-E474 IonicContact NE-OE1 2.74Å; R27-E474 PolarHBondContact NE-OE1 3.23Å; R27-E474 IonicContact NH2-OE1 3.63Å; R27-E474 PolarHBondContact NH2-OE1 3.05Å; R27-E474 IonicContact NH2-OE2 3.05Å
28I86.5Confident92.3Very high76 Ų7630 Ų3039%0.3914%0.141SC..Hα-helixtrans-69-46.3-177.2-63.1173.4000110.7N26 A30 Q31 R32N26-I28 VanDerWaalsContact C-N 3.31Å; N26-I28 PolarHBondContact O-N 2.69Å; N26-I28 PolarHBondContact OD1-N 3.02Å; I28-A30 VanDerWaalsContact C-N 3.34Å; I28-Q31 PolarHBondContact O-N 3.14Å; I28-R32 WeakPolarHBondContact O-CG 3.44Å; I28-R32 PolarHBondContact O-N 2.89Å
29E87.7Confident92.3Very high22 Ų2230 Ų3010%0.10314%0.14CC..Hα-helixtrans-69.9-32.3175.4-64.9-57.7130.300111.4P24 N26 Q31 R32 L33 A518 R569P24-E29 HydrophobicContact CB-CB 4.09Å; N26-E29 WeakPolarHBondContact ND2-CG 3.5Å; N26-E29 WeakPolarHBondContact OD1-CA 3.28Å; N26-E29 WeakPolarHBondContact OD1-CB 3.31Å; N26-E29 WeakPolarHBondContact OD1-CG 3.38Å; N26-E29 PolarHBondContact OD1-N 2.87Å; E29-Q31 VanDerWaalsContact C-N 3.33Å; E29-Q31 PolarHBondContact O-N 3.09Å; E29-R32 WeakPolarHBondContact O-CB 3.39Å; E29-R32 PolarHBondContact O-N 3.26Å; E29-R32 IonicContact OE1-CZ 3.87Å; E29-R32 IonicContact OE1-NE 3.73Å; E29-R32 IonicContact OE1-NH1 3.46Å; E29-R32 PolarHBondContact OE1-NH1 2.89Å; E29-L33 PolarHBondContact O-N 3.48Å; E29-A518 HydrophobicContact CB-CB 3.75Å; E29-A518 HydrophobicContact CG-CB 3.99Å; E29-R569 IonicContact OE2-CZ 3.79Å; E29-R569 IonicContact OE2-NH2 3.78Å; E29-R569 PolarHBondContact OE2-NH2 3.16Å
30A88.7Confident92.3Very high17 Ų1730.1 Ų30.114%0.1414%0.141CC..Hα-helixtrans-58.5-43.6170.600000112.3P24 N26 R27 I28 R32 L33 A475P24-A30 VanDerWaalsContact CG-CA 3.47Å; P24-A30 HydrophobicContact CG-CB 3.72Å; N26-A30 PolarHBondContact O-N 3.44Å; N26-A30 VanDerWaalsContact O-N 3.09Å; R27-A30 WeakPolarHBondContact O-CB 3.22Å; R27-A30 PolarHBondContact O-N 3.39Å; I28-A30 VanDerWaalsContact C-N 3.34Å; A30-R32 PolarHBondContact O-N 2.84Å; A30-L33 WeakPolarHBondContact O-CB 3.36Å; A30-L33 VanDerWaalsContact O-CG 3.32Å; A30-L33 WeakPolarHBondContact O-CG 3.48Å; A30-L33 PolarHBondContact O-N 3.43Å; A30-A475 HydrophobicContact CB-CB 4.08Å; A30-A475 WeakPolarHBondContact CB-O 3.16Å
31Q85.9Confident92.4Very high132 Ų13230.2 Ų30.262%0.61714%0.141SC*.Hα-helixtrans-66.7-21.3175.4-71.9174.8-17.600113.2R27 I28 E29 L33R27-Q31 WeakPolarHBondContact O-CG 3.29Å; R27-Q31 PolarHBondContact O-N 2.82Å; I28-Q31 PolarHBondContact O-N 3.14Å; E29-Q31 VanDerWaalsContact C-N 3.33Å; E29-Q31 PolarHBondContact O-N 3.09Å; Q31-L33 VanDerWaalsContact C-N 3.35Å
32R88.9Confident92.5Very high129 Ų12930.3 Ų30.349%0.48714%0.142SC..THydrogen-bonded Turntrans-85.6-1.5177.4-69.3170.6175.1-173.8-6113.9I28 E29 A30 V34I28-R32 WeakPolarHBondContact O-CG 3.44Å; I28-R32 PolarHBondContact O-N 2.89Å; E29-R32 WeakPolarHBondContact O-CB 3.39Å; E29-R32 PolarHBondContact O-N 3.26Å; E29-R32 IonicContact OE1-CZ 3.87Å; E29-R32 IonicContact OE1-NE 3.73Å; E29-R32 IonicContact OE1-NH1 3.46Å; E29-R32 PolarHBondContact OE1-NH1 2.89Å; A30-R32 PolarHBondContact O-N 2.84Å; R32-V34 PolarHBondContact O-N 3.22Å
33L91Very high92.5Very high11 Ų1129.8 Ų29.86%0.05814%0.14CC..THydrogen-bonded Turntrans-66.7-20.9176.7-66.2179.7000113.5W20 P24 E29 A30 Q31 V35 V525 F570W20-L33 HydrophobicContact CD2-CD1 4.25Å; W20-L33 HydrophobicContact CD2-CD2 4.21Å; W20-L33 HydrophobicContact CE3-CD2 4.29Å; W20-L33 HydrophobicContact CG-CD1 4.16Å; W20-L33 HydrophobicContact CH2-CD2 4.26Å; W20-L33 HydrophobicContact CZ2-CB 3.92Å; W20-L33 HydrophobicContact CZ2-CD2 4.15Å; W20-L33 HydrophobicContact CZ2-CG 4.5Å; W20-L33 WeakPolarHBondContact CZ2-O 3.42Å; W20-L33 HydrophobicContact CZ3-CD2 4.31Å; P24-L33 HydrophobicContact CG-CD1 3.9Å; P24-L33 HydrophobicContact CG-CD2 4.4Å; P24-L33 HydrophobicContact CG-CG 4.29Å; E29-L33 PolarHBondContact O-N 3.48Å; A30-L33 WeakPolarHBondContact O-CB 3.36Å; A30-L33 VanDerWaalsContact O-CG 3.32Å; A30-L33 WeakPolarHBondContact O-CG 3.48Å; A30-L33 PolarHBondContact O-N 3.43Å; Q31-L33 VanDerWaalsContact C-N 3.35Å; L33-V35 WeakPolarHBondContact CB-O 3.49Å; L33-V35 PolarHBondContact O-N 3.19Å; L33-V525 HydrophobicContact CD2-CG1 3.61Å; L33-F570 HydrophobicContact CD2-CZ 4.36Å
34V92.6Very high92.4Very high34 Ų3430.4 Ų30.421%0.20614%0.142CC..SBendtrans67.2-58-176.4-173.30000113.2R32 N562 K565 L566R32-V34 PolarHBondContact O-N 3.22Å; V34-N562 HydrophobicContact CG1-CB 3.89Å; V34-N562 VanDerWaalsContact CG1-O 3.26Å; V34-N562 WeakPolarHBondContact CG1-O 3.45Å; V34-N562 WeakPolarHBondContact CG1-OD1 3.48Å; V34-K565 HydrophobicContact CG1-CB 3.88Å; V34-K565 HydrophobicContact CG2-CB 3.8Å; V34-L566 HydrophobicContact CB-CB 4.42Å; V34-L566 HydrophobicContact CG1-CB 4.29Å
35V96.5Very high92.3Very high1 Ų132.6 Ų32.61%0.00615%0.152CC..SBendtrans-77.7126.7167.5176.10000108.1T19 W20 L33 F529 A534 M538 L566 Y590T19-V35 HydrophobicContact CG2-CG1 4.19Å; W20-V35 HydrophobicContact CZ2-CB 4.23Å; W20-V35 PolarHBondContact NE1-O 3.39Å; L33-V35 WeakPolarHBondContact CB-O 3.49Å; L33-V35 PolarHBondContact O-N 3.19Å; V35-F529 HydrophobicContact CB-CE2 4.28Å; V35-F529 HydrophobicContact CG1-CE2 4.37Å; V35-F529 HydrophobicContact CG2-CE2 4.33Å; V35-F529 HydrophobicContact CG2-CZ 4.39Å; V35-A534 HydrophobicContact CG1-CB 3.82Å; V35-A534 HydrophobicContact CG2-CB 4.46Å; V35-M538 HydrophobicContact CG1-CG 4.38Å; V35-M538 HydrophobicContact CG2-CG 4.26Å; V35-M538 HydrophobicContact CG2-SD 4.39Å; V35-L566 HydrophobicContact CG2-CD1 3.62Å; V35-Y590 HydrophobicContact CG2-CE2 4.3Å; V35-Y590 WeakPolarHBondContact CG2-OH 3.46Å
36P95.4Very high91.9Very high30 Ų3037 Ų3720%0.19517%0.169CC..  trans-65155.9-178.225.8-32.5000111.8T19 A38 L472 L541T19-P36 PolarHBondContact OG1-O 3.48Å; P36-A38 PolarHBondContact O-N 3.5Å; P36-A38 VanDerWaalsContact O-N 3.13Å; P36-L472 HydrophobicContact CB-CD2 4.04Å; P36-L472 HydrophobicContact CG-CD2 3.79Å; P36-L541 HydrophobicContact CG-CD1 3.67Å
37L96.9Very high91.6Very high6 Ų637.6 Ų37.63%0.03117%0.169CC..EExtended strand (participates in β ladder)trans-69.5108.3167.4174.861.7000108.5F18 W20 W23 L426 F473 A475F18-L37 HydrophobicContact CD1-CD1 4Å; W20-L37 HydrophobicContact CB-CD1 4.08Å; W23-L37 HydrophobicContact CD2-CD2 4.08Å; W23-L37 HydrophobicContact CG-CD1 4.49Å; W23-L37 HydrophobicContact CG-CD2 4.1Å; L37-L426 HydrophobicContact CD2-CD2 3.85Å; L37-F473 HydrophobicContact CB-CB 4.46Å; L37-F473 HydrophobicContact CD2-CB 4Å; L37-F473 HydrophobicContact CG-CB 4.07Å; L37-F473 PolarHBondContact O-N 3.08Å; L37-A475 HydrophobicContact CD2-CB 3.84Å
38A98Very high91.1Very high0 Ų033.4 Ų33.40%016%0.158CC..EExtended strand (participates in β ladder)trans-128.6149-178.500000110.9F18 T19 P36 T470 F471 L472 A537F18-A38 CarbonylContact C-O 3.6Å; F18-A38 VanDerWaalsContact CA-O 3.25Å; F18-A38 WeakPolarHBondContact CA-O 3.39Å; T19-A38 HydrophobicContact CG2-CB 3.77Å; T19-A38 PolarHBondContact N-O 2.87Å; T19-A38 PolarHBondContact OG1-N 3Å; P36-A38 PolarHBondContact O-N 3.5Å; P36-A38 VanDerWaalsContact O-N 3.13Å; A38-T470 HydrophobicContact CB-CG2 3.78Å; A38-F471 CarbonylContact C-O 3.47Å; A38-F471 WeakPolarHBondContact CA-O 3.42Å; A38-L472 HydrophobicContact CB-CD2 3.74Å; A38-A537 HydrophobicContact CB-CB 4.09Å
39C98.5Very high90.6Very high0 Ų034.6 Ų34.60%017%0.171CC..EExtended strand (participates in β ladder)trans-121117.1171.4-1720000109.4R17 F18 T470 F471 F473 F493R17-C39 WeakPolarHBondContact O-CA 3.42Å; F18-C39 HydrophobicContact CD1-CB 3.79Å; F18-C39 HydrophobicContact CE1-CB 3.49Å; F18-C39 VanDerWaalsContact CE1-CB 3.49Å; F18-C39 HydrophobicContact CE2-CB 4.25Å; F18-C39 VanDerWaalsContact CE2-SG 3.59Å; F18-C39 HydrophobicContact CG-CB 4.3Å; F18-C39 HydrophobicContact CZ-CB 3.75Å; F18-C39 VanDerWaalsContact CZ-SG 3.59Å; C39-T470 CarbonylContact O-C 3.32Å; C39-T470 WeakPolarHBondContact O-CA 3.37Å; C39-F471 PolarHBondContact N-O 3.49Å; C39-F471 PolarHBondContact O-N 3.35Å; C39-F473 HydrophobicContact CB-CE2 3.81Å; C39-F493 HydrophobicContact CB-CZ 4.37Å
40H98.7Very high90.2Very high2 Ų242.2 Ų42.21%0.00921%0.207CC..EExtended strand (participates in β ladder)trans-76.6123.4162.3-53.5-70.6000107.6I16 R17 T468 T470 A533 V625I16-H40 CarbonylContact C-O 3.46Å; I16-H40 VanDerWaalsContact CA-O 3.27Å; I16-H40 WeakPolarHBondContact CA-O 3.15Å; R17-H40 HydrophobicContact CB-CB 4.3Å; R17-H40 PolarHBondContact N-O 3.37Å; R17-H40 PolarHBondContact O-CD2 3.03Å; R17-H40 PolarHBondContact O-N 2.94Å; H40-T468 HydrophobicContact CB-CG2 4Å; H40-T470 PolarHBondContact CE1-OG1 3.43Å; H40-T470 VanDerWaalsContact CE1-OG1 3.23Å; H40-T470 PolarHBondContact ND1-OG1 2.96Å; H40-A533 PolarHBondContact NE2-O 3.36Å; H40-V625 HydrophobicContact CB-CG2 3.82Å; H40-V625 WeakPolarHBondContact CD2-CG2 3.48Å
41F98.5Very high89.7Confident2 Ų242.5 Ų42.51%0.00921%0.209CC..EExtended strand (participates in β ladder)trans-128.2126.8-178174.6-125.9000110.8G15 I16 P43 L418 T468 T469 F471 F493 T509G15-F41 CarbonylContact O-C 3.59Å; G15-F41 WeakPolarHBondContact O-CA 3.41Å; I16-F41 HydrophobicContact CG2-CB 4.49Å; I16-F41 HydrophobicContact CG2-CD2 3.64Å; I16-F41 HydrophobicContact CG2-CE2 4.36Å; I16-F41 HydrophobicContact CG2-CG 4.48Å; F41-P43 HydrophobicContact CD1-CG 3.95Å; F41-P43 HydrophobicContact CE1-CB 3.96Å; F41-P43 HydrophobicContact CE1-CG 3.62Å; F41-P43 HydrophobicContact CZ-CB 4.06Å; F41-P43 HydrophobicContact CZ-CG 4.18Å; F41-L418 HydrophobicContact CD1-CD2 4.22Å; F41-L418 HydrophobicContact CE1-CD1 4Å; F41-L418 HydrophobicContact CE1-CD2 4.29Å; F41-T468 WeakPolarHBondContact O-CA 3.4Å; F41-T469 PolarHBondContact N-O 2.85Å; F41-T469 PolarHBondContact O-N 3.16Å; F41-F471 HydrophobicContact CB-CD2 4.07Å; F41-F471 HydrophobicContact CB-CE2 3.97Å; F41-F471 HydrophobicContact CD1-CE2 4.04Å; F41-F493 HydrophobicContact CB-CD1 4.48Å; F41-F493 HydrophobicContact CB-CE1 4.12Å; F41-F493 HydrophobicContact CB-CZ 4.38Å; F41-F493 HydrophobicContact CD1-CB 4.22Å; F41-F493 AromaticContact CD1-CD1 3.49Å; F41-F493 HydrophobicContact CD1-CD1 3.49Å; F41-F493 VanDerWaalsContact CD1-CD1 3.49Å; F41-F493 AromaticContact CD1-CE1 3.97Å; F41-F493 HydrophobicContact CD1-CE1 3.97Å; F41-F493 AromaticContact CD1-CG 3.89Å; F41-F493 HydrophobicContact CD1-CG 3.89Å; F41-F493 HydrophobicContact CD2-CD2 4.45Å; F41-F493 HydrophobicContact CD2-CG 4.39Å; F41-F493 HydrophobicContact CE1-CB 3.54Å; F41-F493 AromaticContact CE1-CD1 3.72Å; F41-F493 HydrophobicContact CE1-CD1 3.72Å; F41-F493 AromaticContact CE1-CG 3.73Å; F41-F493 HydrophobicContact CE1-CG 3.73Å; F41-F493 HydrophobicContact CE2-CB 4.28Å; F41-F493 HydrophobicContact CE2-CD2 4.4Å; F41-F493 HydrophobicContact CE2-CG 4.25Å; F41-F493 AromaticContact CG-CD1 3.94Å; F41-F493 HydrophobicContact CG-CD1 3.94Å; F41-F493 HydrophobicContact CG-CE1 4.05Å; F41-F493 HydrophobicContact CG-CG 4.22Å; F41-F493 HydrophobicContact CG-CZ 4.42Å; F41-F493 HydrophobicContact CZ-CB 3.57Å; F41-F493 HydrophobicContact CZ-CD1 4.35Å; F41-F493 HydrophobicContact CZ-CD2 4.48Å; F41-F493 AromaticContact CZ-CG 3.91Å; F41-F493 HydrophobicContact CZ-CG 3.91Å; F41-T509 HydrophobicContact CE2-CG2 4.09Å
42T98Very high89.6Confident7 Ų739.6 Ų39.64%0.04320%0.202CC..  trans-11294.6177.9-47.90000108.9G15 F44 K45 P465 T468G15-T42 PolarHBondContact O-N 3.02Å; T42-F44 PolarHBondContact O-N 2.95Å; T42-F44 VanDerWaalsContact O-N 3.12Å; T42-K45 HydrophobicContact CG2-CB 4.22Å; T42-K45 PolarHBondContact O-N 2.99Å; T42-K45 VanDerWaalsContact O-N 3.13Å; T42-P465 WeakPolarHBondContact CG2-O 3.41Å; T42-T468 WeakPolarHBondContact OG1-CG2 3.41Å; T42-T468 PolarHBondContact OG1-OG1 3.42Å
43P95.4Very high89.3Confident1 Ų139.4 Ų39.41%0.00621%0.206CC..THydrogen-bonded Turntrans-58.4-33.4-171.6-23.131.8000113.8F41 L463 S467 T495 R507F41-P43 HydrophobicContact CD1-CG 3.95Å; F41-P43 HydrophobicContact CE1-CB 3.96Å; F41-P43 HydrophobicContact CE1-CG 3.62Å; F41-P43 HydrophobicContact CZ-CB 4.06Å; F41-P43 HydrophobicContact CZ-CG 4.18Å; P43-L463 HydrophobicContact CB-CD1 4.38Å; P43-L463 HydrophobicContact CG-CD1 4.48Å; P43-L463 HydrophobicContact CG-CD2 4.29Å; P43-S467 WeakPolarHBondContact CD-O 3.44Å; P43-T495 HydrophobicContact CB-CG2 4.24Å; P43-R507 WeakPolarHBondContact O-CD 3.21Å; P43-R507 PolarHBondContact O-NE 3.13Å
44F92.3Very high89Confident14 Ų1440.4 Ų40.46%0.06121%0.214CC..THydrogen-bonded Turntrans-106.730.7-179.1-66.7-13.2000113.7T42 Y46 L463 P465 Y497T42-F44 PolarHBondContact O-N 2.95Å; T42-F44 VanDerWaalsContact O-N 3.12Å; F44-Y46 PolarHBondContact O-N 2.88Å; F44-L463 HydrophobicContact CD2-CB 3.73Å; F44-L463 HydrophobicContact CE1-CD1 4.48Å; F44-L463 HydrophobicContact CE2-CB 3.38Å; F44-L463 HydrophobicContact CE2-CD1 4.27Å; F44-L463 HydrophobicContact CE2-CG 4.48Å; F44-L463 HydrophobicContact CZ-CB 4.01Å; F44-L463 HydrophobicContact CZ-CD1 4.06Å; F44-P465 WeakPolarHBondContact O-CA 3.44Å; F44-Y497 AromaticContact CE1-CD1 3.86Å; F44-Y497 HydrophobicContact CE1-CD1 3.86Å; F44-Y497 HydrophobicContact CE1-CD2 4.28Å; F44-Y497 AromaticContact CE1-CE1 3.63Å; F44-Y497 HydrophobicContact CE1-CE1 3.63Å; F44-Y497 HydrophobicContact CE1-CE2 4.07Å; F44-Y497 HydrophobicContact CE1-CG 4.17Å; F44-Y497 AromaticContact CE1-CZ 3.74Å; F44-Y497 HydrophobicContact CE2-CD2 4.36Å; F44-Y497 HydrophobicContact CE2-CE2 4.33Å; F44-Y497 AromaticContact CZ-CD1 3.83Å; F44-Y497 HydrophobicContact CZ-CD1 3.83Å; F44-Y497 AromaticContact CZ-CD2 3.5Å; F44-Y497 HydrophobicContact CZ-CD2 3.5Å; F44-Y497 AromaticContact CZ-CE1 3.86Å; F44-Y497 HydrophobicContact CZ-CE1 3.86Å; F44-Y497 AromaticContact CZ-CE2 3.53Å; F44-Y497 HydrophobicContact CZ-CE2 3.53Å; F44-Y497 AromaticContact CZ-CG 3.65Å; F44-Y497 HydrophobicContact CZ-CG 3.65Å; F44-Y497 AromaticContact CZ-CZ 3.7Å
45K90.4Very high88.8Confident46 Ų4642.1 Ų42.120%0.223%0.226CC..PPolyproline II helixtrans-52.3131171.8-175.969.8174.5-1680110.3E11 T42 R507E11-K45 IonicContact OE1-NZ 3.19Å; T42-K45 HydrophobicContact CG2-CB 4.22Å; T42-K45 PolarHBondContact O-N 2.99Å; T42-K45 VanDerWaalsContact O-N 3.13Å; K45-R507 PolarHBondContact O-NH2 2.87Å
46Y80.3Confident88.2Confident106 Ų10647.3 Ų47.342%0.41626%0.259SS..PPolyproline II helixtrans-75.8133.6168-73.5-63.8000110F44 K411 P465F44-Y46 PolarHBondContact O-N 2.88Å; Y46-K411 HydrophobicContact CE2-CD 3.89Å; Y46-K411 WeakPolarHBondContact OH-CB 3.37Å; Y46-K411 WeakPolarHBondContact OH-CD 3.22Å; Y46-K411 WeakPolarHBondContact OH-CG 3.25Å; Y46-P465 HydrophobicContact CD2-CB 3.85Å; Y46-P465 HydrophobicContact CD2-CG 4.05Å; Y46-P465 HydrophobicContact CE2-CB 3.45Å; Y46-P465 VanDerWaalsContact CE2-CB 3.45Å; Y46-P465 HydrophobicContact CE2-CG 3.16Å; Y46-P465 WeakPolarHBondContact OH-CG 3.41Å
47R78.6Confident88.2Confident33 Ų3346 Ų4613%0.12525%0.251CS..PPolyproline II helixtrans-78.3148.6165.2-68-174.2174.7172.62.3109.4N13 A51 P52 T119N13-R47 PolarHBondContact O-NE 3.06Å; N13-R47 VanDerWaalsContact O-NE 3.15Å; N13-R47 PolarHBondContact O-NH2 2.82Å; N13-R47 PolarHBondContact OD1-NH2 3.45Å; R47-A51 HydrophobicContact CB-CB 4.2Å; R47-P52 PolarHBondContact NH1-O 3.11Å; R47-T119 VanDerWaalsContact NH2-CB 3.28Å; R47-T119 PolarHBondContact NH2-O 3.24Å
48S74.9Confident87.9Confident32 Ų3250.1 Ų50.122%0.22427%0.273CS..PPolyproline II helixtrans-53142.8168.1170.60000109.7E12 E50 A51E12-S48 WeakPolarHBondContact OE1-CB 3.07Å; S48-E50 PolarHBondContact O-N 3.45Å; S48-E50 PolarHBondContact OG-N 3.35Å; S48-A51 WeakPolarHBondContact O-CB 3.3Å; S48-A51 PolarHBondContact O-N 2.86Å
49P75.3Confident87.6Confident101 Ų10152.9 Ų52.966%0.65628%0.283SS*.THydrogen-bonded Turntrans-53.5-20.9171.9-24.934.3000114.6
50E78.5Confident87.3Confident182 Ų18256.5 Ų56.585%0.8530%0.303SS*.THydrogen-bonded Turntrans-86.9-17.4-179.8-59.2180179.800113.1S48S48-E50 PolarHBondContact O-N 3.45Å; S48-E50 PolarHBondContact OG-N 3.35Å
51A79.9Confident87.2Confident24 Ų2457.5 Ų57.520%0.19831%0.309CS..SBendtrans-75.7141.4-177.700000111.2R47 S48 E53R47-A51 HydrophobicContact CB-CB 4.2Å; S48-A51 WeakPolarHBondContact O-CB 3.3Å; S48-A51 PolarHBondContact O-N 2.86Å; A51-E53 PolarHBondContact O-N 2.9Å
52P82.1Confident87.1Confident71 Ų7158 Ų5846%0.46131%0.313SS..PPolyproline II helixtrans-56.7125.1174.6-2534.1000112.2R47 F117R47-P52 PolarHBondContact NH1-O 3.11Å; P52-F117 HydrophobicContact CB-CE1 4.02Å
53E83.1Confident87.1Confident124 Ų12460.7 Ų60.758%0.57933%0.329SS*.PPolyproline II helixtrans-97.9135.4174-69.6-175.6-179.600110.3A51A51-E53 PolarHBondContact O-N 2.9Å
54P85.3Confident87.2Confident32 Ų3260.7 Ų60.721%0.20833%0.329CS..PPolyproline II helixtrans-65.6146.8171.528.9-34.4000109.6F117 I120P54-F117 HydrophobicContact CB-CD1 4.14Å; P54-F117 HydrophobicContact CB-CD2 3.91Å; P54-F117 HydrophobicContact CB-CE1 4.23Å; P54-F117 HydrophobicContact CB-CE2 4.03Å; P54-F117 HydrophobicContact CB-CG 4Å; P54-F117 HydrophobicContact CB-CZ 4.18Å; P54-I120 HydrophobicContact CB-CG2 4.16Å; P54-I120 HydrophobicContact CG-CG2 4.21Å
55P87.3Confident87.5Confident71 Ų7163.2 Ų63.246%0.46135%0.346SS..PPolyproline II helixtrans-61.8156.4172.428.8-35.7000110.7L57 P111P55-L57 HydrophobicContact CG-CD2 4.35Å; P55-L57 WeakPolarHBondContact O-CD2 3.38Å; P55-L57 WeakPolarHBondContact O-CG 3.49Å; P55-L57 PolarHBondContact O-N 3.17Å; P55-L57 VanDerWaalsContact O-N 3.14Å; P55-P111 HydrophobicContact CG-CB 4.2Å; P55-P111 HydrophobicContact CG-CG 3.6Å
56P85.7Confident87.7Confident109 Ų10965.2 Ų65.271%0.70835%0.352SS*.PPolyproline II helixtrans-56.6118.8176.5-25.434.1000112.4N58P56-N58 PolarHBondContact O-N 2.83Å
57L93.6Very high88.4Confident3 Ų365.3 Ų65.32%0.01637%0.365CS..BIsolated β-bridgetrans-92.888.3-179.1-48.5-175.9000110.3P55 Y59 P111 I120 Y122 T123P55-L57 HydrophobicContact CG-CD2 4.35Å; P55-L57 WeakPolarHBondContact O-CD2 3.38Å; P55-L57 WeakPolarHBondContact O-CG 3.49Å; P55-L57 PolarHBondContact O-N 3.17Å; P55-L57 VanDerWaalsContact O-N 3.14Å; L57-Y59 HydrophobicContact CB-CD1 4.46Å; L57-Y59 HydrophobicContact CB-CE1 3.94Å; L57-Y59 HydrophobicContact CD2-CE1 4.09Å; L57-Y59 PolarHBondContact O-N 2.88Å; L57-Y59 VanDerWaalsContact O-N 3.15Å; L57-P111 HydrophobicContact CD2-CB 3.69Å; L57-P111 HydrophobicContact CD2-CG 3.63Å; L57-I120 HydrophobicContact CD1-CB 4.04Å; L57-I120 HydrophobicContact CD1-CD1 4.14Å; L57-I120 HydrophobicContact CD1-CG2 4.47Å; L57-Y122 HydrophobicContact CB-CD1 3.87Å; L57-Y122 HydrophobicContact CB-CE1 4.39Å; L57-Y122 HydrophobicContact CB-CG 4.44Å; L57-Y122 HydrophobicContact CD1-CD1 4Å; L57-Y122 HydrophobicContact CD1-CE1 3.8Å; L57-Y122 HydrophobicContact CD1-CG 4.5Å; L57-Y122 CarbonylContact O-C 3.5Å; L57-Y122 WeakPolarHBondContact O-CA 3.19Å; L57-T123 PolarHBondContact O-N 2.84Å
58N92.3Very high89.1Confident93 Ų9369.7 Ų69.750%0.49740%0.396SS..  trans-88.646.9-177.2-63.8-45.2000113P56 T125P56-N58 PolarHBondContact O-N 2.83Å; N58-T125 HydrophobicContact CB-CG2 4.36Å; N58-T125 WeakPolarHBondContact O-CG2 2.89Å
59Y91.7Very high90.1Very high57 Ų5768.8 Ų68.822%0.22439%0.39CS..SBendtrans-147.4162-179.952.9-93000111.1L57 Y101 E112 Y122L57-Y59 HydrophobicContact CB-CD1 4.46Å; L57-Y59 HydrophobicContact CB-CE1 3.94Å; L57-Y59 HydrophobicContact CD2-CE1 4.09Å; L57-Y59 PolarHBondContact O-N 2.88Å; L57-Y59 VanDerWaalsContact O-N 3.15Å; Y59-Y101 VanDerWaalsContact CE2-OH 3.23Å; Y59-Y101 WeakPolarHBondContact CE2-OH 3.42Å; Y59-Y101 VanDerWaalsContact CZ-OH 3.28Å; Y59-Y101 PolarHBondContact OH-OH 2.67Å; Y59-E112 PolarHBondContact OH-OE2 2.95Å; Y59-Y122 HydrophobicContact CD2-CD1 4.27Å; Y59-Y122 HydrophobicContact CD2-CE1 4.29Å; Y59-Y122 HydrophobicContact CE2-CD1 4.12Å; Y59-Y122 AromaticContact CE2-CE1 3.77Å; Y59-Y122 HydrophobicContact CE2-CE1 3.77Å
60D92.5Very high91.1Very high76 Ų7668.4 Ų68.441%0.40638%0.378SS..PPolyproline II helixtrans-71.2140177.4-62.8-24.6000110.3L124D60-L124 WeakPolarHBondContact OD1-CD2 3.18Å
61P95.6Very high92Very high23 Ų2359.8 Ų59.815%0.14934%0.337CS..PPolyproline II helixtrans-63.6143.4-17824.9-34.4000112.7V63 V72 Y122 I506P61-V63 PolarHBondContact O-N 3.33Å; P61-V72 HydrophobicContact CB-CG1 3.7Å; P61-V72 HydrophobicContact CB-CG2 4.27Å; P61-Y122 HydrophobicContact CB-CD1 4.14Å; P61-Y122 HydrophobicContact CB-CD2 4.08Å; P61-Y122 HydrophobicContact CB-CE1 3.96Å; P61-Y122 HydrophobicContact CB-CE2 3.91Å; P61-Y122 HydrophobicContact CB-CG 4.18Å; P61-I506 HydrophobicContact CG-CD1 4.04Å
62V96.7Very high92.9Very high14 Ų1458.8 Ų58.89%0.08533%0.329CS..PPolyproline II helixtrans-74.6116.9172-176.50000109.3V72 L73 W86 P98 Y101V62-V72 CarbonylContact O-C 3.58Å; V62-V72 WeakPolarHBondContact O-CA 3.22Å; V62-L73 HydrophobicContact CB-CB 3.93Å; V62-L73 HydrophobicContact CB-CD2 4.06Å; V62-L73 HydrophobicContact CG1-CB 4.32Å; V62-L73 HydrophobicContact CG1-CD2 4.29Å; V62-L73 HydrophobicContact CG2-CD2 4.4Å; V62-L73 WeakPolarHBondContact O-CB 3.37Å; V62-L73 PolarHBondContact O-N 3.38Å; V62-W86 HydrophobicContact CG1-CZ2 4.08Å; V62-P98 HydrophobicContact CG2-CG 3.82Å; V62-Y101 HydrophobicContact CG2-CD2 4.41Å; V62-Y101 HydrophobicContact CG2-CE2 3.89Å
63V97.4Very high93.7Very high63 Ų6355.4 Ų55.438%0.38231%0.307SS..BIsolated β-bridgetrans-108.4149.1-177.4-64.40000112.5P61 T65 A71 V72P61-V63 PolarHBondContact O-N 3.33Å; V63-T65 PolarHBondContact O-N 3.29Å; V63-A71 CarbonylContact C-O 3.57Å; V63-A71 WeakPolarHBondContact CA-O 3.37Å; V63-V72 HydrophobicContact CG1-CG2 4.21Å
64C98Very high94.3Very high0 Ų049.6 Ų49.60%028%0.28CS..  trans-58.1135.7172.1179.40000110.6R66 K70 A71 W86 C88 C91 N95C64-R66 VanDerWaalsContact C-N 3.29Å; C64-R66 PolarHBondContact O-N 3.1Å; C64-K70 WeakPolarHBondContact O-CD 3.25Å; C64-A71 WeakPolarHBondContact CB-O 3.4Å; C64-A71 PolarHBondContact N-O 3.22Å; C64-W86 HydrophobicContact CB-CH2 3.9Å; C64-C88 HydrophobicContact CB-CB 4.25Å; C64-C91 VanDerWaalsContact SG-SG 3.64Å; C64-N95 PolarHBondContact SG-OD1 2.79Å
65T97.5Very high94.9Very high67 Ų6749.3 Ų49.341%0.41128%0.278SS..SBendtrans-70.3-23.8-177.258.40000113.2V63 P67 N95V63-T65 PolarHBondContact O-N 3.29Å; T65-P67 WeakPolarHBondContact O-CD 3.27Å; T65-N95 WeakPolarHBondContact CB-OD1 3.29Å; T65-N95 HydrophobicContact CG2-CB 4.33Å; T65-N95 PolarHBondContact N-OD1 2.94Å; T65-N95 PolarHBondContact OG1-OD1 3.18Å
66R96.6Very high95.3Very high88 Ų8848.4 Ų48.433%0.33227%0.266SS..SBendtrans-63.9119.6178.6-177.9176-64.3174.98.6110.4C64 T68 C69 K70 C91 Q93C64-R66 VanDerWaalsContact C-N 3.29Å; C64-R66 PolarHBondContact O-N 3.1Å; R66-T68 VanDerWaalsContact C-N 3.3Å; R66-T68 PolarHBondContact O-N 3.16Å; R66-C69 HydrophobicContact CB-CB 4.01Å; R66-C69 HydrophobicContact CG-CB 4.22Å; R66-C69 PolarHBondContact O-N 3.03Å; R66-K70 PolarHBondContact O-N 3.01Å; R66-C91 PolarHBondContact NH1-O 3.41Å; R66-C91 PolarHBondContact NH2-O 2.81Å; R66-Q93 HydrophobicContact CB-CB 4.32Å; R66-Q93 HydrophobicContact CB-CG 4.16Å
67P94Very high95.8Very high108 Ų10843.7 Ų43.770%0.70124%0.236SC*.THydrogen-bonded Turntrans-58.2-35.6-174.5-28.335.9000115.1T65 C69 K70T65-P67 WeakPolarHBondContact O-CD 3.27Å; P67-C69 VanDerWaalsContact C-N 3.34Å; P67-K70 WeakPolarHBondContact O-CG 3.38Å
68T93.6Very high95.9Very high125 Ų12550.1 Ų50.177%0.76727%0.266SS*.THydrogen-bonded Turntrans-80-15178.753.30000113.7R66R66-T68 VanDerWaalsContact C-N 3.3Å; R66-T68 PolarHBondContact O-N 3.16Å
69C95.6Very high96.1Very high13 Ų1347.4 Ų47.49%0.08825%0.253CS..THydrogen-bonded Turntrans-97.6-65.2-179.6-177.80000111R66 P67 A71 C91 K421R66-C69 HydrophobicContact CB-CB 4.01Å; R66-C69 HydrophobicContact CG-CB 4.22Å; R66-C69 PolarHBondContact O-N 3.03Å; P67-C69 VanDerWaalsContact C-N 3.34Å; C69-A71 PolarHBondContact O-N 2.84Å; C69-A71 VanDerWaalsContact SG-CB 3.57Å; C69-C91 HydrophobicContact CB-CB 3.96Å; C69-K421 VanDerWaalsContact O-CD 3.29Å; C69-K421 WeakPolarHBondContact O-CD 3.14Å; C69-K421 WeakPolarHBondContact O-CE 3.42Å; C69-K421 PolarHBondContact O-NZ 3.11Å
70K96.8Very high96.2Very high94 Ų9447.7 Ų47.741%0.40926%0.258SS..  trans48.224-176.3-63-63.3-168.2-174.50115.2C64 R66 P67 K421C64-K70 WeakPolarHBondContact O-CD 3.25Å; R66-K70 PolarHBondContact O-N 3.01Å; P67-K70 WeakPolarHBondContact O-CG 3.38Å; K70-K421 WeakPolarHBondContact O-CE 3.13Å
71A97.8Very high96.3Very high0 Ų046.7 Ų46.70%025%0.25CS..PPolyproline II helixtrans-63.4144.7174.700000110.8V63 C64 C69 L90 K421 Q492V63-A71 CarbonylContact C-O 3.57Å; V63-A71 WeakPolarHBondContact CA-O 3.37Å; C64-A71 WeakPolarHBondContact CB-O 3.4Å; C64-A71 PolarHBondContact N-O 3.22Å; C69-A71 PolarHBondContact O-N 2.84Å; C69-A71 VanDerWaalsContact SG-CB 3.57Å; A71-L90 HydrophobicContact CB-CD1 4.17Å; A71-L90 HydrophobicContact CB-CD2 4.04Å; A71-L90 HydrophobicContact CB-CG 4.48Å; A71-K421 HydrophobicContact CB-CD 3.98Å; A71-Q492 VanDerWaalsContact CA-OE1 3.3Å
72V98.1Very high96.2Very high4 Ų455.9 Ų55.92%0.02428%0.282CS..BIsolated β-bridgetrans-79.1143.3178.2-178.80000109.7P61 V62 V63 N74 Y122 Q492 I494 V508P61-V72 HydrophobicContact CB-CG1 3.7Å; P61-V72 HydrophobicContact CB-CG2 4.27Å; V62-V72 CarbonylContact O-C 3.58Å; V62-V72 WeakPolarHBondContact O-CA 3.22Å; V63-V72 HydrophobicContact CG1-CG2 4.21Å; V72-N74 PolarHBondContact O-ND2 2.89Å; V72-Y122 HydrophobicContact CG1-CE2 4.13Å; V72-Q492 PolarHBondContact O-NE2 3.16Å; V72-I494 HydrophobicContact CG2-CD1 3.97Å; V72-I494 HydrophobicContact CG2-CG1 4.41Å; V72-V508 HydrophobicContact CB-CG1 4.1Å; V72-V508 HydrophobicContact CB-CG2 4.32Å; V72-V508 HydrophobicContact CG1-CG1 4.33Å; V72-V508 HydrophobicContact CG1-CG2 4.17Å; V72-V508 HydrophobicContact CG2-CG2 4.15Å
73L98.1Very high96.1Very high0 Ų058.2 Ų58.20%030%0.296CS..PPolyproline II helixtrans-52.7136.3171.1-176.864.9000110.1V62 A77 W86 F97 Y101 E112 L113V62-L73 HydrophobicContact CB-CB 3.93Å; V62-L73 HydrophobicContact CB-CD2 4.06Å; V62-L73 HydrophobicContact CG1-CB 4.32Å; V62-L73 HydrophobicContact CG1-CD2 4.29Å; V62-L73 HydrophobicContact CG2-CD2 4.4Å; V62-L73 WeakPolarHBondContact O-CB 3.37Å; V62-L73 PolarHBondContact O-N 3.38Å; L73-A77 HydrophobicContact CD1-CB 3.88Å; L73-W86 HydrophobicContact CB-CH2 4.47Å; L73-W86 HydrophobicContact CD1-CB 4.27Å; L73-W86 HydrophobicContact CD1-CD2 3.53Å; L73-W86 HydrophobicContact CD1-CE3 3.56Å; L73-W86 HydrophobicContact CD1-CG 3.86Å; L73-W86 HydrophobicContact CD1-CH2 4.43Å; L73-W86 HydrophobicContact CD1-CZ2 4.44Å; L73-W86 HydrophobicContact CD1-CZ3 4.01Å; L73-F97 HydrophobicContact CD1-CE1 4.37Å; L73-F97 HydrophobicContact CD2-CD1 4.43Å; L73-F97 HydrophobicContact CD2-CE1 3.79Å; L73-Y101 HydrophobicContact CD2-CE2 4.39Å; L73-E112 HydrophobicContact CB-CG 4.38Å; L73-E112 HydrophobicContact CD2-CG 3.78Å; L73-E112 HydrophobicContact CG-CG 4.01Å; L73-L113 HydrophobicContact CD1-CD2 3.79Å; L73-L113 HydrophobicContact CD1-CG 4.38Å; L73-L113 HydrophobicContact CD2-CD1 4.26Å; L73-L113 HydrophobicContact CD2-CD2 4.45Å; L73-L113 HydrophobicContact CD2-CG 4.15Å; L73-L113 HydrophobicContact CG-CD2 4.01Å; L73-L113 HydrophobicContact CG-CG 4.2Å
74N97.4Very high95.9Very high2 Ų259.8 Ų59.81%0.01130%0.298CS..  trans-154.4167.4-17363.580.6000110.1V72 Y76 A77 E112 L113 Q492 T510V72-N74 PolarHBondContact O-ND2 2.89Å; N74-Y76 PolarHBondContact O-N 2.96Å; N74-Y76 WeakPolarHBondContact OD1-CB 3.39Å; N74-Y76 WeakPolarHBondContact OD1-CD2 3.49Å; N74-Y76 PolarHBondContact OD1-N 3.11Å; N74-Y76 VanDerWaalsContact OD1-N 3.12Å; N74-A77 WeakPolarHBondContact O-CB 3.25Å; N74-A77 PolarHBondContact O-N 2.81Å; N74-E112 CarbonylContact C-O 3.58Å; N74-E112 VanDerWaalsContact CA-O 3.27Å; N74-E112 WeakPolarHBondContact CA-O 3.43Å; N74-L113 WeakPolarHBondContact O-CD2 3.18Å; N74-Q492 PolarHBondContact ND2-NE2 2.75Å; N74-T510 HydrophobicContact CB-CG2 4.1Å; N74-T510 WeakPolarHBondContact CB-OG1 3.32Å
75P96.5Very high95.9Very high26 Ų2662.2 Ų62.217%0.16931%0.311CS..THydrogen-bonded Turntrans-64.5-14.4-171.3-23.934.8000115.5A77 E112 I114 F117 T118P75-A77 VanDerWaalsContact C-N 3.33Å; P75-E112 WeakPolarHBondContact CD-O 3.44Å; P75-E112 WeakPolarHBondContact CG-O 3.38Å; P75-E112 VanDerWaalsContact N-O 3.14Å; P75-I114 VanDerWaalsContact CG-O 3.22Å; P75-I114 WeakPolarHBondContact CG-O 3.17Å; P75-F117 WeakPolarHBondContact CG-O 3.19Å; P75-T118 HydrophobicContact CG-CG2 4.45Å
76Y96.2Very high95.8Very high51 Ų5159.1 Ų59.120%0.229%0.292CS..THydrogen-bonded Turntrans-86.5-2.7177.7-53.1-75.1000113.7N74 T118 Y490 T510 C512N74-Y76 PolarHBondContact O-N 2.96Å; N74-Y76 WeakPolarHBondContact OD1-CB 3.39Å; N74-Y76 WeakPolarHBondContact OD1-CD2 3.49Å; N74-Y76 PolarHBondContact OD1-N 3.11Å; N74-Y76 VanDerWaalsContact OD1-N 3.12Å; Y76-T118 HydrophobicContact CE2-CG2 4.03Å; Y76-T118 WeakPolarHBondContact OH-CG2 3.45Å; Y76-Y490 HydrophobicContact CD1-CE1 4.01Å; Y76-Y490 HydrophobicContact CD2-CD1 4.25Å; Y76-Y490 HydrophobicContact CD2-CE1 4.3Å; Y76-Y490 HydrophobicContact CG-CD1 4.1Å; Y76-Y490 AromaticContact CG-CE1 3.69Å; Y76-Y490 HydrophobicContact CG-CE1 3.69Å; Y76-T510 HydrophobicContact CD2-CG2 3.76Å; Y76-T510 HydrophobicContact CE2-CG2 4.02Å; Y76-T510 WeakPolarHBondContact CE2-O 3.48Å; Y76-C512 HydrophobicContact CE1-CB 4.39Å; Y76-C512 WeakPolarHBondContact CE1-SG 3.36Å
77A96.4Very high95.9Very high11 Ų1157.2 Ų57.29%0.09129%0.287CS..SBendtrans-69.7132.6175.300000111L73 N74 P75 W86 I87 L113L73-A77 HydrophobicContact CD1-CB 3.88Å; N74-A77 WeakPolarHBondContact O-CB 3.25Å; N74-A77 PolarHBondContact O-N 2.81Å; P75-A77 VanDerWaalsContact C-N 3.33Å; A77-W86 HydrophobicContact CB-CE3 3.97Å; A77-I87 WeakPolarHBondContact CA-O 3.26Å; A77-L113 HydrophobicContact CB-CD2 4.26Å
78Q95Very high96Very high138 Ų13852.1 Ų52.165%0.64525%0.254SS*.EExtended strand (participates in β ladder)trans-76.9126.7170.9-64177.7-2.100109.1W86 I87Q78-W86 CarbonylContact O-C 3.6Å; Q78-W86 VanDerWaalsContact O-CA 3.29Å; Q78-W86 WeakPolarHBondContact O-CA 3.34Å; Q78-I87 HydrophobicContact CB-CB 4.2Å; Q78-I87 HydrophobicContact CB-CD1 4.41Å; Q78-I87 HydrophobicContact CB-CG1 4.38Å; Q78-I87 PolarHBondContact N-O 2.89Å; Q78-I87 PolarHBondContact O-N 3.02Å
79V96.2Very high96.1Very high36 Ų3647.1 Ų47.122%0.21822%0.224CC..EExtended strand (participates in β ladder)trans-108.5125.7-176.6-178.80000109.8F81 W86 F97 I104 L113V79-F81 HydrophobicContact CB-CE1 4.24Å; V79-F81 HydrophobicContact CB-CE2 4.18Å; V79-F81 HydrophobicContact CB-CZ 3.92Å; V79-F81 HydrophobicContact CG1-CD1 3.7Å; V79-F81 HydrophobicContact CG1-CD2 4.28Å; V79-F81 HydrophobicContact CG1-CE1 3.48Å; V79-F81 VanDerWaalsContact CG1-CE1 3.48Å; V79-F81 HydrophobicContact CG1-CE2 4.06Å; V79-F81 HydrophobicContact CG1-CG 4.1Å; V79-F81 HydrophobicContact CG1-CZ 3.67Å; V79-W86 HydrophobicContact CG2-CB 4.5Å; V79-F97 HydrophobicContact CG1-CE2 3.76Å; V79-F97 HydrophobicContact CG1-CZ 3.85Å; V79-F97 HydrophobicContact CG2-CZ 4.16Å; V79-I104 HydrophobicContact CG1-CD1 4.24Å; V79-L113 HydrophobicContact CG2-CD1 3.77Å; V79-L113 HydrophobicContact CG2-CD2 4.06Å
80D95.3Very high96Very high63 Ų6347.4 Ų47.434%0.33723%0.225SC..EExtended strand (participates in β ladder)trans-9997.1166.8-179.6-14.6000108.2R82 T83 K84 L85D80-R82 PolarHBondContact O-N 3.2Å; D80-R82 WeakPolarHBondContact OD1-CB 3.38Å; D80-R82 PolarHBondContact OD1-N 3.4Å; D80-T83 WeakPolarHBondContact CB-OG1 3.05Å; D80-T83 PolarHBondContact OD1-N 2.96Å; D80-T83 PolarHBondContact OD1-OG1 3.2Å; D80-T83 WeakPolarHBondContact OD2-CG2 3.16Å; D80-T83 PolarHBondContact OD2-OG1 3.47Å; D80-K84 VanDerWaalsContact O-CA 3.27Å; D80-K84 WeakPolarHBondContact O-CA 3.39Å; D80-K84 PolarHBondContact O-N 3.48Å; D80-L85 PolarHBondContact N-O 3.41Å; D80-L85 PolarHBondContact O-N 2.6Å; D80-L85 VanDerWaalsContact O-N 3.14Å
81F94.3Very high95.9Very high55 Ų5544 Ų4424%0.24121%0.213CC..THydrogen-bonded Turntrans-65.1-25.6-179.4-60.5-76.7000113.2V79 I104 A105 E106 L109V79-F81 HydrophobicContact CB-CE1 4.24Å; V79-F81 HydrophobicContact CB-CE2 4.18Å; V79-F81 HydrophobicContact CB-CZ 3.92Å; V79-F81 HydrophobicContact CG1-CD1 3.7Å; V79-F81 HydrophobicContact CG1-CD2 4.28Å; V79-F81 HydrophobicContact CG1-CE1 3.48Å; V79-F81 VanDerWaalsContact CG1-CE1 3.48Å; V79-F81 HydrophobicContact CG1-CE2 4.06Å; V79-F81 HydrophobicContact CG1-CG 4.1Å; V79-F81 HydrophobicContact CG1-CZ 3.67Å; F81-I104 HydrophobicContact CD1-CG1 4.15Å; F81-I104 HydrophobicContact CE1-CD1 4.38Å; F81-I104 HydrophobicContact CE1-CG1 4.03Å; F81-A105 VanDerWaalsContact CE1-C 3.47Å; F81-E106 HydrophobicContact CD2-CG 3.59Å; F81-E106 HydrophobicContact CE1-CG 4.47Å; F81-E106 HydrophobicContact CE2-CB 4.45Å; F81-E106 HydrophobicContact CE2-CG 3.36Å; F81-E106 HydrophobicContact CG-CG 4.27Å; F81-E106 HydrophobicContact CZ-CG 3.84Å; F81-L109 HydrophobicContact CE1-CD2 3.64Å; F81-L109 HydrophobicContact CZ-CD2 3.72Å
82R92.9Very high95.7Very high216 Ų21648.4 Ų48.482%0.81524%0.243SC*.THydrogen-bonded Turntrans-74.7-46.8-179.2-175.5-178.165.8128.70.8110.8D80D80-R82 PolarHBondContact O-N 3.2Å; D80-R82 WeakPolarHBondContact OD1-CB 3.38Å; D80-R82 PolarHBondContact OD1-N 3.4Å
83T94.1Very high95.6Very high62 Ų6251 Ų5138%0.3826%0.255SS..THydrogen-bonded Turntrans-88.9-6.4178.464.60000113.2D80 L85D80-T83 WeakPolarHBondContact CB-OG1 3.05Å; D80-T83 PolarHBondContact OD1-N 2.96Å; D80-T83 PolarHBondContact OD1-OG1 3.2Å; D80-T83 WeakPolarHBondContact OD2-CG2 3.16Å; D80-T83 PolarHBondContact OD2-OG1 3.47Å; T83-L85 VanDerWaalsContact C-N 3.28Å; T83-L85 PolarHBondContact O-N 2.82Å; T83-L85 WeakPolarHBondContact OG1-CD1 3.4Å; T83-L85 WeakPolarHBondContact OG1-CG 3.08Å
84K93.9Very high95.6Very high96 Ų9659.2 Ų59.242%0.41729%0.286SS..THydrogen-bonded Turntrans54.547-175.9-55.9-178.5-174.7176.50111.2D80 F97 A102 I104D80-K84 VanDerWaalsContact O-CA 3.27Å; D80-K84 WeakPolarHBondContact O-CA 3.39Å; D80-K84 PolarHBondContact O-N 3.48Å; K84-F97 VanDerWaalsContact C-CD2 3.48Å; K84-F97 HydrophobicContact CB-CD2 4.38Å; K84-F97 VanDerWaalsContact O-CD2 3.29Å; K84-F97 WeakPolarHBondContact O-CD2 3.33Å; K84-F97 PolarHBondContact O-N 3.49Å; K84-A102 VanDerWaalsContact CE-O 3.3Å; K84-A102 WeakPolarHBondContact CE-O 3.45Å; K84-A102 PolarHBondContact NZ-O 3.46Å; K84-I104 HydrophobicContact CG-CG2 4.4Å
85L96.7Very high95.6Very high52 Ų5259.1 Ų59.127%0.27229%0.286SS..EExtended strand (participates in β ladder)trans-117.5154.7176.1-59.4-179.8000110.2D80 T83 N95 P96D80-L85 PolarHBondContact N-O 3.41Å; D80-L85 PolarHBondContact O-N 2.6Å; D80-L85 VanDerWaalsContact O-N 3.14Å; T83-L85 VanDerWaalsContact C-N 3.28Å; T83-L85 PolarHBondContact O-N 2.82Å; T83-L85 WeakPolarHBondContact OG1-CD1 3.4Å; T83-L85 WeakPolarHBondContact OG1-CG 3.08Å; L85-N95 CarbonylContact C-O 3.49Å; L85-N95 VanDerWaalsContact CA-O 3.29Å; L85-N95 WeakPolarHBondContact CA-O 3.38Å; L85-P96 HydrophobicContact CD2-CB 4.07Å
86W97.2Very high95.6Very high1 Ų161.7 Ų61.70%0.00430%0.302CS..EExtended strand (participates in β ladder)trans-129146.5168.263-82.1000111.2V62 C64 L73 A77 Q78 V79 C88 N95 F97V62-W86 HydrophobicContact CG1-CZ2 4.08Å; C64-W86 HydrophobicContact CB-CH2 3.9Å; L73-W86 HydrophobicContact CB-CH2 4.47Å; L73-W86 HydrophobicContact CD1-CB 4.27Å; L73-W86 HydrophobicContact CD1-CD2 3.53Å; L73-W86 HydrophobicContact CD1-CE3 3.56Å; L73-W86 HydrophobicContact CD1-CG 3.86Å; L73-W86 HydrophobicContact CD1-CH2 4.43Å; L73-W86 HydrophobicContact CD1-CZ2 4.44Å; L73-W86 HydrophobicContact CD1-CZ3 4.01Å; A77-W86 HydrophobicContact CB-CE3 3.97Å; Q78-W86 CarbonylContact O-C 3.6Å; Q78-W86 VanDerWaalsContact O-CA 3.29Å; Q78-W86 WeakPolarHBondContact O-CA 3.34Å; V79-W86 HydrophobicContact CG2-CB 4.5Å; W86-C88 HydrophobicContact CE3-CB 4.32Å; W86-C88 HydrophobicContact CH2-CB 4.39Å; W86-C88 HydrophobicContact CZ3-CB 3.71Å; W86-N95 VanDerWaalsContact CD1-O 3.31Å; W86-N95 HydrophobicContact CD2-CB 3.91Å; W86-N95 HydrophobicContact CG-CB 4.24Å; W86-N95 HydrophobicContact CZ2-CB 3.72Å; W86-N95 PolarHBondContact N-O 2.79Å; W86-N95 PolarHBondContact O-N 3.34Å; W86-F97 HydrophobicContact CB-CE1 4.13Å; W86-F97 HydrophobicContact CB-CE2 4.07Å; W86-F97 HydrophobicContact CB-CZ 3.61Å; W86-F97 AromaticContact CD1-CD1 3.69Å; W86-F97 AromaticContact CD1-CE1 3.55Å; W86-F97 AromaticContact CD1-CZ 3.79Å; W86-F97 HydrophobicContact CG-CE1 4.01Å; W86-F97 AromaticContact CG-CZ 3.99Å; W86-F97 HydrophobicContact CG-CZ 3.99Å
87I97.1Very high95.6Very high48 Ų4860.4 Ų60.425%0.24630%0.298CS..EExtended strand (participates in β ladder)trans-101.5119.2178.7-50.3-174000108.1A77 Q78 Q93 R94A77-I87 WeakPolarHBondContact CA-O 3.26Å; Q78-I87 HydrophobicContact CB-CB 4.2Å; Q78-I87 HydrophobicContact CB-CD1 4.41Å; Q78-I87 HydrophobicContact CB-CG1 4.38Å; Q78-I87 PolarHBondContact N-O 2.89Å; Q78-I87 PolarHBondContact O-N 3.02Å; I87-Q93 WeakPolarHBondContact CA-O 3.34Å; I87-R94 HydrophobicContact CG1-CG 4.23Å
88C96.9Very high95.5Very high1 Ų161.7 Ų61.71%0.00731%0.305CS..  trans-65.5124.5178.2175.50000110.4C64 W86 L90 S92 Q93C64-C88 HydrophobicContact CB-CB 4.25Å; W86-C88 HydrophobicContact CE3-CB 4.32Å; W86-C88 HydrophobicContact CH2-CB 4.39Å; W86-C88 HydrophobicContact CZ3-CB 3.71Å; C88-L90 VanDerWaalsContact C-N 3.27Å; C88-L90 PolarHBondContact O-N 3.46Å; C88-S92 WeakPolarHBondContact O-CA 3.45Å; C88-S92 PolarHBondContact O-N 3.47Å; C88-Q93 PolarHBondContact N-O 2.83Å
89P95.2Very high95.4Very high21 Ų2159.6 Ų59.614%0.13631%0.311CS..THydrogen-bonded Turntrans-68-25-176.521.1-26.8000113.3Y490P89-Y490 HydrophobicContact CB-CD1 4.17Å; P89-Y490 HydrophobicContact CB-CD2 4.12Å; P89-Y490 HydrophobicContact CB-CE1 4.09Å; P89-Y490 HydrophobicContact CB-CE2 4.03Å; P89-Y490 HydrophobicContact CB-CG 4.19Å
90L94.4Very high95.1Very high18 Ų1863.4 Ų63.49%0.09433%0.327CS..THydrogen-bonded Turntrans-80.5-35.2-178.1-74.176000113.3A71 C88 K421 Q492A71-L90 HydrophobicContact CB-CD1 4.17Å; A71-L90 HydrophobicContact CB-CD2 4.04Å; A71-L90 HydrophobicContact CB-CG 4.48Å; C88-L90 VanDerWaalsContact C-N 3.27Å; C88-L90 PolarHBondContact O-N 3.46Å; L90-K421 HydrophobicContact CD2-CB 3.47Å; L90-K421 VanDerWaalsContact CD2-CB 3.47Å; L90-Q492 HydrophobicContact CD2-CB 4.31Å
91C93.7Very high95.1Very high24 Ų2461.8 Ų61.816%0.16232%0.316CS..THydrogen-bonded Turntrans-129.2-0.3-172.277.40000115.4C64 R66 C69 Q93C64-C91 VanDerWaalsContact SG-SG 3.64Å; R66-C91 PolarHBondContact NH1-O 3.41Å; R66-C91 PolarHBondContact NH2-O 2.81Å; C69-C91 HydrophobicContact CB-CB 3.96Å; C91-Q93 PolarHBondContact O-N 3.13Å; C91-Q93 VanDerWaalsContact O-N 3.12Å; C91-Q93 WeakPolarHBondContact SG-CB 3.39Å
92S93.9Very high94.9Very high91 Ų9161.5 Ų61.564%0.63632%0.324SS*.  trans59.615.2-178.4-45.70000115.4C88 R94C88-S92 WeakPolarHBondContact O-CA 3.45Å; C88-S92 PolarHBondContact O-N 3.47Å; S92-R94 PolarHBondContact O-N 3.48Å
93Q96.4Very high94.8Very high59 Ų5958.9 Ų58.928%0.27632%0.321SS..  trans-66.2132174-177.862.641.400110.3R66 I87 C88 C91 N95R66-Q93 HydrophobicContact CB-CB 4.32Å; R66-Q93 HydrophobicContact CB-CG 4.16Å; I87-Q93 WeakPolarHBondContact CA-O 3.34Å; C88-Q93 PolarHBondContact N-O 2.83Å; C91-Q93 PolarHBondContact O-N 3.13Å; C91-Q93 VanDerWaalsContact O-N 3.12Å; C91-Q93 WeakPolarHBondContact SG-CB 3.39Å; Q93-N95 WeakPolarHBondContact CG-OD1 3.15Å; Q93-N95 PolarHBondContact O-ND2 3.33Å
94R97.4Very high94.7Very high173 Ų17356.5 Ų56.565%0.65331%0.306SS*.EExtended strand (participates in β ladder)trans-79.1127.8166.4-61.2-176.2179-176.9-0.6109.2I87 S92I87-R94 HydrophobicContact CG1-CG 4.23Å; S92-R94 PolarHBondContact O-N 3.48Å
95N97.9Very high94.7Very high0 Ų053.4 Ų53.40%030%0.298CS..EExtended strand (participates in β ladder)trans-127138.6-176.4-54.8-75000109.4C64 T65 L85 W86 Q93C64-N95 PolarHBondContact SG-OD1 2.79Å; T65-N95 WeakPolarHBondContact CB-OD1 3.29Å; T65-N95 HydrophobicContact CG2-CB 4.33Å; T65-N95 PolarHBondContact N-OD1 2.94Å; T65-N95 PolarHBondContact OG1-OD1 3.18Å; L85-N95 CarbonylContact C-O 3.49Å; L85-N95 VanDerWaalsContact CA-O 3.29Å; L85-N95 WeakPolarHBondContact CA-O 3.38Å; W86-N95 VanDerWaalsContact CD1-O 3.31Å; W86-N95 HydrophobicContact CD2-CB 3.91Å; W86-N95 HydrophobicContact CG-CB 4.24Å; W86-N95 HydrophobicContact CZ2-CB 3.72Å; W86-N95 PolarHBondContact N-O 2.79Å; W86-N95 PolarHBondContact O-N 3.34Å; Q93-N95 WeakPolarHBondContact CG-OD1 3.15Å; Q93-N95 PolarHBondContact O-ND2 3.33Å
96P96.9Very high94.4Very high80 Ų8058.4 Ų58.452%0.51932%0.32SS..EExtended strand (participates in β ladder)trans-71.7150169.431.6-33.9000111L85L85-P96 HydrophobicContact CD2-CB 4.07Å
97F96.1Very high94.2Very high23 Ų2365.6 Ų65.610%0.10136%0.359CS..PPolyproline II helixtrans-73.9149.5165.7-75.4-68.6000111.6L73 V79 K84 W86 Y101 I104 L113L73-F97 HydrophobicContact CD1-CE1 4.37Å; L73-F97 HydrophobicContact CD2-CD1 4.43Å; L73-F97 HydrophobicContact CD2-CE1 3.79Å; V79-F97 HydrophobicContact CG1-CE2 3.76Å; V79-F97 HydrophobicContact CG1-CZ 3.85Å; V79-F97 HydrophobicContact CG2-CZ 4.16Å; K84-F97 VanDerWaalsContact C-CD2 3.48Å; K84-F97 HydrophobicContact CB-CD2 4.38Å; K84-F97 VanDerWaalsContact O-CD2 3.29Å; K84-F97 WeakPolarHBondContact O-CD2 3.33Å; K84-F97 PolarHBondContact O-N 3.49Å; W86-F97 HydrophobicContact CB-CE1 4.13Å; W86-F97 HydrophobicContact CB-CE2 4.07Å; W86-F97 HydrophobicContact CB-CZ 3.61Å; W86-F97 AromaticContact CD1-CD1 3.69Å; W86-F97 AromaticContact CD1-CE1 3.55Å; W86-F97 AromaticContact CD1-CZ 3.79Å; W86-F97 HydrophobicContact CG-CE1 4.01Å; W86-F97 AromaticContact CG-CZ 3.99Å; W86-F97 HydrophobicContact CG-CZ 3.99Å; F97-Y101 AromaticContact CD1-CD2 3.86Å; F97-Y101 HydrophobicContact CD1-CD2 3.86Å; F97-Y101 HydrophobicContact CE1-CD2 4.41Å; F97-I104 HydrophobicContact CD1-CD1 4.3Å; F97-I104 HydrophobicContact CD2-CD1 4.17Å; F97-I104 HydrophobicContact CD2-CG2 4.03Å; F97-I104 HydrophobicContact CE1-CD1 3.76Å; F97-I104 HydrophobicContact CE2-CD1 3.66Å; F97-I104 HydrophobicContact CE2-CG2 4.26Å; F97-I104 HydrophobicContact CG-CD1 4.48Å; F97-I104 HydrophobicContact CZ-CD1 3.4Å; F97-L113 HydrophobicContact CE1-CD1 4.2Å; F97-L113 HydrophobicContact CZ-CD1 4.11Å
98P93.7Very high93.9Very high39 Ų3967.3 Ų67.325%0.25337%0.368SS..PPolyproline II helixtrans-67.2160.6172.131.6-37.1000111.4V62 H100 Y101V62-P98 HydrophobicContact CG2-CG 3.82Å; P98-H100 WeakPolarHBondContact CG-CE1 3.34Å; P98-H100 PolarHBondContact O-N 2.88Å; P98-H100 VanDerWaalsContact O-N 3.12Å; P98-Y101 HydrophobicContact CG-CD2 4.18Å; P98-Y101 HydrophobicContact CG-CG 4.39Å; P98-Y101 PolarHBondContact O-N 2.87Å
99A92.7Very high93.7Very high93 Ų9370 Ų7077%0.76938%0.382SS*.G310 helixtrans-57.4-31.6-174.600000114.3Y101 A102A99-Y101 PolarHBondContact O-N 2.81Å; A99-A102 WeakPolarHBondContact O-CB 3.44Å; A99-A102 PolarHBondContact O-N 2.97Å; A99-A102 VanDerWaalsContact O-N 3.07Å
100H90.9Very high93.7Very high117 Ų11769.5 Ų69.554%0.54238%0.379SS..G310 helixtrans-70-15.3178.464.3-93.4000113.3P98P98-H100 WeakPolarHBondContact CG-CE1 3.34Å; P98-H100 PolarHBondContact O-N 2.88Å; P98-H100 VanDerWaalsContact O-N 3.12Å
101Y93.8Very high93.7Very high28 Ų2869.8 Ų69.811%0.1138%0.382CS..G310 helixtrans-99.121.8170.5-69.8-8.6000112.7Y59 V62 L73 F97 P98 A99 Q103 I104 P110 E112Y59-Y101 VanDerWaalsContact CE2-OH 3.23Å; Y59-Y101 WeakPolarHBondContact CE2-OH 3.42Å; Y59-Y101 VanDerWaalsContact CZ-OH 3.28Å; Y59-Y101 PolarHBondContact OH-OH 2.67Å; V62-Y101 HydrophobicContact CG2-CD2 4.41Å; V62-Y101 HydrophobicContact CG2-CE2 3.89Å; L73-Y101 HydrophobicContact CD2-CE2 4.39Å; F97-Y101 AromaticContact CD1-CD2 3.86Å; F97-Y101 HydrophobicContact CD1-CD2 3.86Å; F97-Y101 HydrophobicContact CE1-CD2 4.41Å; P98-Y101 HydrophobicContact CG-CD2 4.18Å; P98-Y101 HydrophobicContact CG-CG 4.39Å; P98-Y101 PolarHBondContact O-N 2.87Å; A99-Y101 PolarHBondContact O-N 2.81Å; Y101-Q103 PolarHBondContact O-N 2.85Å; Y101-I104 WeakPolarHBondContact O-CB 3.23Å; Y101-I104 VanDerWaalsContact O-CG2 3.29Å; Y101-I104 WeakPolarHBondContact O-CG2 3.36Å; Y101-I104 PolarHBondContact O-N 2.8Å; Y101-P110 HydrophobicContact CD1-CB 4.49Å; Y101-P110 HydrophobicContact CD2-CB 4.39Å; Y101-P110 HydrophobicContact CD2-CG 4.14Å; Y101-P110 HydrophobicContact CE1-CB 3.79Å; Y101-P110 HydrophobicContact CE2-CB 3.67Å; Y101-P110 HydrophobicContact CE2-CG 3.71Å; Y101-P110 WeakPolarHBondContact OH-CB 3.49Å; Y101-E112 VanDerWaalsContact OH-CD 3.25Å; Y101-E112 PolarHBondContact OH-OE1 2.91Å; Y101-E112 PolarHBondContact OH-OE2 3.3Å
102A90.6Very high93.7Very high50 Ų5068.7 Ų68.741%0.41338%0.375SS..THydrogen-bonded Turntrans-58.6-22176.500000113.7K84 A99K84-A102 VanDerWaalsContact CE-O 3.3Å; K84-A102 WeakPolarHBondContact CE-O 3.45Å; K84-A102 PolarHBondContact NZ-O 3.46Å; A99-A102 WeakPolarHBondContact O-CB 3.44Å; A99-A102 PolarHBondContact O-N 2.97Å; A99-A102 VanDerWaalsContact O-N 3.07Å
103Q91.5Very high93.8Very high161 Ų16164.9 Ų64.975%0.75235%0.347SS*.THydrogen-bonded Turntrans-100.115.8178.5-63.6-176.2-10.700113.6Y101 A105 N108Y101-Q103 PolarHBondContact O-N 2.85Å; Q103-A105 PolarHBondContact O-N 3.01Å; Q103-N108 PolarHBondContact O-ND2 2.67Å
104I92.6Very high93.7Very high11 Ų1164.6 Ų64.66%0.05635%0.347CS..  trans-59.3131.3178-166.4173.4000111V79 F81 K84 F97 Y101 P110 L113V79-I104 HydrophobicContact CG1-CD1 4.24Å; F81-I104 HydrophobicContact CD1-CG1 4.15Å; F81-I104 HydrophobicContact CE1-CD1 4.38Å; F81-I104 HydrophobicContact CE1-CG1 4.03Å; K84-I104 HydrophobicContact CG-CG2 4.4Å; F97-I104 HydrophobicContact CD1-CD1 4.3Å; F97-I104 HydrophobicContact CD2-CD1 4.17Å; F97-I104 HydrophobicContact CD2-CG2 4.03Å; F97-I104 HydrophobicContact CE1-CD1 3.76Å; F97-I104 HydrophobicContact CE2-CD1 3.66Å; F97-I104 HydrophobicContact CE2-CG2 4.26Å; F97-I104 HydrophobicContact CG-CD1 4.48Å; F97-I104 HydrophobicContact CZ-CD1 3.4Å; Y101-I104 WeakPolarHBondContact O-CB 3.23Å; Y101-I104 VanDerWaalsContact O-CG2 3.29Å; Y101-I104 WeakPolarHBondContact O-CG2 3.36Å; Y101-I104 PolarHBondContact O-N 2.8Å; I104-P110 HydrophobicContact CD1-CG 4.4Å; I104-L113 HydrophobicContact CD1-CD1 3.83Å
105A92.5Very high93.5Very high31 Ų3161.1 Ų61.126%0.25635%0.347SS..BIsolated β-bridgetrans-151.5167177.900000109.1F81 Q103 N107 N108F81-A105 VanDerWaalsContact CE1-C 3.47Å; Q103-A105 PolarHBondContact O-N 3.01Å; A105-N107 WeakPolarHBondContact CB-OD1 3.48Å; A105-N107 PolarHBondContact O-N 3.35Å; A105-N108 HydrophobicContact CB-CB 4.33Å; A105-N108 PolarHBondContact N-O 2.92Å; A105-N108 CarbonylContact O-C 3.58Å; A105-N108 PolarHBondContact O-N 3.05Å
106E91.2Very high93.1Very high157 Ų15766.7 Ų66.773%0.73437%0.373SS*.THydrogen-bonded Turntrans-57.4-33.2180-71.4179.7-173.900113.2F81F81-E106 HydrophobicContact CD2-CG 3.59Å; F81-E106 HydrophobicContact CE1-CG 4.47Å; F81-E106 HydrophobicContact CE2-CB 4.45Å; F81-E106 HydrophobicContact CE2-CG 3.36Å; F81-E106 HydrophobicContact CG-CG 4.27Å; F81-E106 HydrophobicContact CZ-CG 3.84Å
107N92.4Very high93Very high153 Ų15363.6 Ų63.682%0.81835%0.351SS*.THydrogen-bonded Turntrans-91.71.6176.465.7-22.9000113.8A105A105-N107 WeakPolarHBondContact CB-OD1 3.48Å; A105-N107 PolarHBondContact O-N 3.35Å
108N91.9Very high92.9Very high83 Ų8362.9 Ų62.944%0.44435%0.349SS..BIsolated β-bridgetrans-13965.3-178.7-171.932.8000109.7Q103 A105Q103-N108 PolarHBondContact O-ND2 2.67Å; A105-N108 HydrophobicContact CB-CB 4.33Å; A105-N108 PolarHBondContact N-O 2.92Å; A105-N108 CarbonylContact O-C 3.58Å; A105-N108 PolarHBondContact O-N 3.05Å
109L93.1Very high93Very high57 Ų5761.2 Ų61.230%0.29834%0.338SS..  trans-85137.1178-65.3177.2000110.5F81 L113 I114F81-L109 HydrophobicContact CE1-CD2 3.64Å; F81-L109 HydrophobicContact CZ-CD2 3.72Å; L109-L113 HydrophobicContact CB-CB 4.46Å; L109-L113 HydrophobicContact CD2-CB 4.46Å; L109-I114 HydrophobicContact CB-CG1 4.47Å
110P93.9Very high93.2Very high11 Ų1157 Ų577%0.07130%0.302CS..  trans-65.8152.4166.731.6-35.8000110.2Y101 I104 E112 L113Y101-P110 HydrophobicContact CD1-CB 4.49Å; Y101-P110 HydrophobicContact CD2-CB 4.39Å; Y101-P110 HydrophobicContact CD2-CG 4.14Å; Y101-P110 HydrophobicContact CE1-CB 3.79Å; Y101-P110 HydrophobicContact CE2-CB 3.67Å; Y101-P110 HydrophobicContact CE2-CG 3.71Å; Y101-P110 WeakPolarHBondContact OH-CB 3.49Å; I104-P110 HydrophobicContact CD1-CG 4.4Å; P110-E112 VanDerWaalsContact C-N 3.26Å; P110-E112 HydrophobicContact CB-CG 4.49Å; P110-E112 HydrophobicContact CG-CG 4.44Å; P110-E112 PolarHBondContact O-N 2.98Å; P110-E112 VanDerWaalsContact O-N 3.15Å; P110-L113 HydrophobicContact CG-CB 4.18Å; P110-L113 HydrophobicContact CG-CD1 3.71Å; P110-L113 HydrophobicContact CG-CG 4.02Å; P110-L113 PolarHBondContact O-N 3.42Å
111P93.9Very high93.4Very high25 Ų2553.8 Ų53.816%0.16229%0.287CS..G310 helixtrans-51.2-40.7-176.1-30.437.7000114.6P55 L57 L113 I114 F117P55-P111 HydrophobicContact CG-CB 4.2Å; P55-P111 HydrophobicContact CG-CG 3.6Å; L57-P111 HydrophobicContact CD2-CB 3.69Å; L57-P111 HydrophobicContact CD2-CG 3.63Å; P111-L113 PolarHBondContact O-N 2.99Å; P111-I114 WeakPolarHBondContact O-CB 3.37Å; P111-I114 PolarHBondContact O-N 3.46Å; P111-F117 HydrophobicContact CB-CD2 4.21Å; P111-F117 WeakPolarHBondContact O-CB 3.33Å; P111-F117 WeakPolarHBondContact O-CD2 3.21Å
112E94.8Very high93.5Very high0 Ų052.4 Ų52.40%028%0.282CS..G310 helixtrans-66-8.4179.362-103.3-125.500115.6Y59 L73 N74 P75 Y101 P110 I120 Y122Y59-E112 PolarHBondContact OH-OE2 2.95Å; L73-E112 HydrophobicContact CB-CG 4.38Å; L73-E112 HydrophobicContact CD2-CG 3.78Å; L73-E112 HydrophobicContact CG-CG 4.01Å; N74-E112 CarbonylContact C-O 3.58Å; N74-E112 VanDerWaalsContact CA-O 3.27Å; N74-E112 WeakPolarHBondContact CA-O 3.43Å; P75-E112 WeakPolarHBondContact CD-O 3.44Å; P75-E112 WeakPolarHBondContact CG-O 3.38Å; P75-E112 VanDerWaalsContact N-O 3.14Å; Y101-E112 VanDerWaalsContact OH-CD 3.25Å; Y101-E112 PolarHBondContact OH-OE1 2.91Å; Y101-E112 PolarHBondContact OH-OE2 3.3Å; P110-E112 VanDerWaalsContact C-N 3.26Å; P110-E112 HydrophobicContact CB-CG 4.49Å; P110-E112 HydrophobicContact CG-CG 4.44Å; P110-E112 PolarHBondContact O-N 2.98Å; P110-E112 VanDerWaalsContact O-N 3.15Å; E112-I120 HydrophobicContact CB-CD1 3.31Å; E112-Y122 WeakPolarHBondContact CB-OH 3.3Å
113L96.4Very high93.7Very high11 Ų1150.7 Ų50.76%0.05827%0.267CS..G310 helixtrans-104-5.4174.1-74.3178000113.2L73 N74 A77 V79 F97 I104 L109 P110 P111L73-L113 HydrophobicContact CD1-CD2 3.79Å; L73-L113 HydrophobicContact CD1-CG 4.38Å; L73-L113 HydrophobicContact CD2-CD1 4.26Å; L73-L113 HydrophobicContact CD2-CD2 4.45Å; L73-L113 HydrophobicContact CD2-CG 4.15Å; L73-L113 HydrophobicContact CG-CD2 4.01Å; L73-L113 HydrophobicContact CG-CG 4.2Å; N74-L113 WeakPolarHBondContact O-CD2 3.18Å; A77-L113 HydrophobicContact CB-CD2 4.26Å; V79-L113 HydrophobicContact CG2-CD1 3.77Å; V79-L113 HydrophobicContact CG2-CD2 4.06Å; F97-L113 HydrophobicContact CE1-CD1 4.2Å; F97-L113 HydrophobicContact CZ-CD1 4.11Å; I104-L113 HydrophobicContact CD1-CD1 3.83Å; L109-L113 HydrophobicContact CB-CB 4.46Å; L109-L113 HydrophobicContact CD2-CB 4.46Å; P110-L113 HydrophobicContact CG-CB 4.18Å; P110-L113 HydrophobicContact CG-CD1 3.71Å; P110-L113 HydrophobicContact CG-CG 4.02Å; P110-L113 PolarHBondContact O-N 3.42Å; P111-L113 PolarHBondContact O-N 2.99Å
114I94.6Very high93.7Very high54 Ų5444.2 Ų44.228%0.27724%0.237SC..SBendtrans-71.8126.8176.3-64.9176.1000108.7P75 L109 P111 Q116 F117P75-I114 VanDerWaalsContact CG-O 3.22Å; P75-I114 WeakPolarHBondContact CG-O 3.17Å; L109-I114 HydrophobicContact CB-CG1 4.47Å; P111-I114 WeakPolarHBondContact O-CB 3.37Å; P111-I114 PolarHBondContact O-N 3.46Å; I114-Q116 HydrophobicContact CG2-CB 4.36Å; I114-Q116 PolarHBondContact O-N 3.12Å; I114-F117 HydrophobicContact CB-CB 4.44Å; I114-F117 HydrophobicContact CB-CD2 3.66Å; I114-F117 HydrophobicContact CB-CE2 4.19Å; I114-F117 HydrophobicContact CB-CG 4.23Å; I114-F117 HydrophobicContact CD1-CD2 3.94Å; I114-F117 HydrophobicContact CD1-CE2 3.72Å; I114-F117 HydrophobicContact CG1-CD2 4.26Å; I114-F117 HydrophobicContact CG1-CE2 4.5Å; I114-F117 HydrophobicContact CG2-CD2 4.01Å; I114-F117 HydrophobicContact CG2-CE2 4.23Å; I114-F117 HydrophobicContact CG2-CG 4.39Å; I114-F117 PolarHBondContact O-N 3Å
115P92.1Very high93.1Very high100 Ų10047.9 Ų47.965%0.64926%0.26SS*.THydrogen-bonded Turntrans-55.1-27.9-175-30.536.6000116.2F117P115-F117 VanDerWaalsContact C-N 3.32Å
116Q90.1Very high92.5Very high116 Ų11656.6 Ų56.654%0.54229%0.286SS..THydrogen-bonded Turntrans-75.7-20.9177.4-64.3173.8-5.200112.7I114 T118I114-Q116 HydrophobicContact CG2-CB 4.36Å; I114-Q116 PolarHBondContact O-N 3.12Å; Q116-T118 PolarHBondContact O-N 2.79Å
117F93.8Very high91.9Very high16 Ų1651.1 Ų51.17%0.0727%0.268CS..  trans-99.154.6-174.3-61.1-24.3000111.4P52 P54 P75 P111 I114 P115 I120P52-F117 HydrophobicContact CB-CE1 4.02Å; P54-F117 HydrophobicContact CB-CD1 4.14Å; P54-F117 HydrophobicContact CB-CD2 3.91Å; P54-F117 HydrophobicContact CB-CE1 4.23Å; P54-F117 HydrophobicContact CB-CE2 4.03Å; P54-F117 HydrophobicContact CB-CG 4Å; P54-F117 HydrophobicContact CB-CZ 4.18Å; P75-F117 WeakPolarHBondContact CG-O 3.19Å; P111-F117 HydrophobicContact CB-CD2 4.21Å; P111-F117 WeakPolarHBondContact O-CB 3.33Å; P111-F117 WeakPolarHBondContact O-CD2 3.21Å; I114-F117 HydrophobicContact CB-CB 4.44Å; I114-F117 HydrophobicContact CB-CD2 3.66Å; I114-F117 HydrophobicContact CB-CE2 4.19Å; I114-F117 HydrophobicContact CB-CG 4.23Å; I114-F117 HydrophobicContact CD1-CD2 3.94Å; I114-F117 HydrophobicContact CD1-CE2 3.72Å; I114-F117 HydrophobicContact CG1-CD2 4.26Å; I114-F117 HydrophobicContact CG1-CE2 4.5Å; I114-F117 HydrophobicContact CG2-CD2 4.01Å; I114-F117 HydrophobicContact CG2-CE2 4.23Å; I114-F117 HydrophobicContact CG2-CG 4.39Å; I114-F117 PolarHBondContact O-N 3Å; P115-F117 VanDerWaalsContact C-N 3.32Å; F117-I120 HydrophobicContact CB-CG2 3.69Å
118T95.5Very high91Very high8 Ų847.6 Ų47.65%0.04925%0.253CS..SBendtrans-67.9-27.2171.244.90000112.6N13 D14 P75 Y76 Q116 T509 T510N13-T118 PolarHBondContact ND2-OG1 3.35Å; D14-T118 VanDerWaalsContact CG-OG1 3.22Å; D14-T118 WeakPolarHBondContact OD1-CB 3.28Å; D14-T118 PolarHBondContact OD1-OG1 3.16Å; D14-T118 PolarHBondContact OD2-OG1 2.94Å; P75-T118 HydrophobicContact CG-CG2 4.45Å; Y76-T118 HydrophobicContact CE2-CG2 4.03Å; Y76-T118 WeakPolarHBondContact OH-CG2 3.45Å; Q116-T118 PolarHBondContact O-N 2.79Å; T118-T509 WeakPolarHBondContact O-CA 3.31Å; T118-T510 WeakPolarHBondContact CB-O 3.3Å; T118-T510 PolarHBondContact O-N 2.99Å
119T95.7Very high90.5Very high3 Ų345.6 Ų45.62%0.01824%0.244CC..EExtended strand (participates in β ladder)trans-112.9128.6166.9-650000110.7D14 R47 R507 V508 T509D14-T119 WeakPolarHBondContact OD1-CB 3.17Å; D14-T119 PolarHBondContact OD1-N 3.08Å; D14-T119 PolarHBondContact OD1-OG1 3.27Å; R47-T119 VanDerWaalsContact NH2-CB 3.28Å; R47-T119 PolarHBondContact NH2-O 3.24Å; T119-R507 HydrophobicContact CG2-CG 4.33Å; T119-V508 CarbonylContact C-O 3.58Å; T119-V508 VanDerWaalsContact CA-O 3.24Å; T119-V508 WeakPolarHBondContact CA-O 3.34Å; T119-T509 VanDerWaalsContact CG2-OG1 3.29Å; T119-T509 WeakPolarHBondContact CG2-OG1 3.46Å; T119-T509 VanDerWaalsContact OG1-CB 3.3Å; T119-T509 WeakPolarHBondContact OG1-CB 3.48Å; T119-T509 WeakPolarHBondContact OG1-CG2 3.2Å; T119-T509 PolarHBondContact OG1-OG1 3.15Å
120I95.4Very high90.1Very high6 Ų644.2 Ų44.23%0.03124%0.237CC..EExtended strand (participates in β ladder)trans-144.4161.1-178.855.4-179000110.8P54 L57 E112 F117 Y122 R507 V508P54-I120 HydrophobicContact CB-CG2 4.16Å; P54-I120 HydrophobicContact CG-CG2 4.21Å; L57-I120 HydrophobicContact CD1-CB 4.04Å; L57-I120 HydrophobicContact CD1-CD1 4.14Å; L57-I120 HydrophobicContact CD1-CG2 4.47Å; E112-I120 HydrophobicContact CB-CD1 3.31Å; F117-I120 HydrophobicContact CB-CG2 3.69Å; I120-Y122 HydrophobicContact CD1-CE1 4.47Å; I120-Y122 HydrophobicContact CD1-CE2 3.46Å; I120-Y122 VanDerWaalsContact CD1-CE2 3.46Å; I120-Y122 VanDerWaalsContact CD1-CZ 3.43Å; I120-Y122 WeakPolarHBondContact CD1-OH 2.88Å; I120-Y122 HydrophobicContact CG1-CE2 3.75Å; I120-R507 CarbonylContact O-C 3.31Å; I120-R507 WeakPolarHBondContact O-CA 3.3Å; I120-V508 HydrophobicContact CG1-CB 4.21Å; I120-V508 PolarHBondContact N-O 3.03Å; I120-V508 PolarHBondContact O-N 3.43Å
121E95Very high89.7Confident48 Ų4845.3 Ų45.322%0.22424%0.244CC..EExtended strand (participates in β ladder)trans-130.7124.4178.8-175.717293.200111.3Y497 K505 I506 R507E121-Y497 PolarHBondContact OE1-OH 3.24Å; E121-Y497 WeakPolarHBondContact OE2-CE1 3.29Å; E121-Y497 PolarHBondContact OE2-OH 3.41Å; E121-K505 HydrophobicContact CG-CB 4.3Å; E121-K505 HydrophobicContact CG-CD 4.17Å; E121-K505 VanDerWaalsContact OE1-CD 3.25Å; E121-K505 WeakPolarHBondContact OE1-CD 3.45Å; E121-K505 WeakPolarHBondContact OE1-CE 3.12Å; E121-K505 IonicContact OE1-NZ 3.49Å; E121-K505 PolarHBondContact OE1-NZ 2.82Å; E121-I506 CarbonylContact C-O 3.55Å; E121-I506 WeakPolarHBondContact CA-O 3.46Å; E121-R507 HydrophobicContact CB-CG 4.49Å; E121-R507 HydrophobicContact CG-CB 4.47Å
122Y96Very high89.6Confident0 Ų044.1 Ų44.10%024%0.236CC..EExtended strand (participates in β ladder)trans-97.2139.3175.2-57.9-94.2000110.1L57 Y59 P61 V72 E112 I120 K505 I506 V508L57-Y122 HydrophobicContact CB-CD1 3.87Å; L57-Y122 HydrophobicContact CB-CE1 4.39Å; L57-Y122 HydrophobicContact CB-CG 4.44Å; L57-Y122 HydrophobicContact CD1-CD1 4Å; L57-Y122 HydrophobicContact CD1-CE1 3.8Å; L57-Y122 HydrophobicContact CD1-CG 4.5Å; L57-Y122 CarbonylContact O-C 3.5Å; L57-Y122 WeakPolarHBondContact O-CA 3.19Å; Y59-Y122 HydrophobicContact CD2-CD1 4.27Å; Y59-Y122 HydrophobicContact CD2-CE1 4.29Å; Y59-Y122 HydrophobicContact CE2-CD1 4.12Å; Y59-Y122 AromaticContact CE2-CE1 3.77Å; Y59-Y122 HydrophobicContact CE2-CE1 3.77Å; P61-Y122 HydrophobicContact CB-CD1 4.14Å; P61-Y122 HydrophobicContact CB-CD2 4.08Å; P61-Y122 HydrophobicContact CB-CE1 3.96Å; P61-Y122 HydrophobicContact CB-CE2 3.91Å; P61-Y122 HydrophobicContact CB-CG 4.18Å; V72-Y122 HydrophobicContact CG1-CE2 4.13Å; E112-Y122 WeakPolarHBondContact CB-OH 3.3Å; I120-Y122 HydrophobicContact CD1-CE1 4.47Å; I120-Y122 HydrophobicContact CD1-CE2 3.46Å; I120-Y122 VanDerWaalsContact CD1-CE2 3.46Å; I120-Y122 VanDerWaalsContact CD1-CZ 3.43Å; I120-Y122 WeakPolarHBondContact CD1-OH 2.88Å; I120-Y122 HydrophobicContact CG1-CE2 3.75Å; Y122-K505 CarbonylContact O-C 3.59Å; Y122-K505 WeakPolarHBondContact O-CA 3.34Å; Y122-K505 WeakPolarHBondContact O-CB 3.33Å; Y122-I506 PolarHBondContact N-O 2.97Å; Y122-I506 PolarHBondContact O-N 3.38Å; Y122-V508 HydrophobicContact CD2-CG2 4.12Å; Y122-V508 HydrophobicContact CE2-CB 4.38Å; Y122-V508 HydrophobicContact CE2-CG2 3.85Å
123T94.7Very high89.6Confident14 Ų1444.1 Ų44.19%0.08624%0.236CC..EExtended strand (participates in β ladder)trans-104.9115.9168.9-60.60000109L57 T125 Q503L57-T123 PolarHBondContact O-N 2.84Å; T123-T125 PolarHBondContact O-N 3.33Å; T123-Q503 HydrophobicContact CG2-CB 4.16Å; T123-Q503 HydrophobicContact CG2-CG 4.29Å
124L91.7Very high89.6Confident24 Ų2443.6 Ų43.613%0.12623%0.234CC..EExtended strand (participates in β ladder)trans-78.6115.1-178.1-54.8-177.3000109.9D60 A127 R504 I506D60-L124 WeakPolarHBondContact OD1-CD2 3.18Å; L124-A127 HydrophobicContact CB-CB 4.37Å; L124-R504 HydrophobicContact CB-CB 4.41Å; L124-R504 HydrophobicContact CD1-CB 4.32Å; L124-R504 HydrophobicContact CD1-CG 3.88Å; L124-R504 PolarHBondContact N-O 3.29Å; L124-I506 HydrophobicContact CD1-CD1 3.89Å; L124-I506 HydrophobicContact CD1-CG1 3.96Å; L124-I506 HydrophobicContact CD2-CD1 3.85Å; L124-I506 HydrophobicContact CD2-CG1 4.07Å; L124-I506 HydrophobicContact CG-CD1 4.24Å; L124-I506 HydrophobicContact CG-CG1 4.1Å
125T79.8Confident89.8Confident88 Ų8841.1 Ų41.154%0.5422%0.221SC..THydrogen-bonded Turntrans-79.5-20.6-17554.10000113.5N58 T123N58-T125 HydrophobicContact CB-CG2 4.36Å; N58-T125 WeakPolarHBondContact O-CG2 2.89Å; T123-T125 PolarHBondContact O-N 3.33Å
126R81.2Confident90.1Very high214 Ų21436.5 Ų36.581%0.80819%0.191SC*.THydrogen-bonded Turntrans-101.44.5-175.1-62.9-180178.8-174.7-0114.3
127A77.7Confident90.5Very high43 Ų4331 Ų3136%0.35517%0.165SC..  trans-135.360.1-176.800000111.6L124 R504L124-A127 HydrophobicContact CB-CB 4.37Å; A127-R504 HydrophobicContact CB-CB 4.43Å; A127-R504 WeakPolarHBondContact O-CB 3.15Å
128P74.6Confident90.7Very high78 Ų7830.4 Ų30.451%0.50616%0.162SC..  trans-60.5146.8174.128.4-34.4000110.4
129T80Confident90.9Very high41 Ų4130 Ų3025%0.25216%0.16SC..  trans-114.2168.3175.849.60000110Q498 G502 R504T129-Q498 WeakPolarHBondContact OG1-CG 3.47Å; T129-G502 CarbonylContact C-O 3.58Å; T129-G502 WeakPolarHBondContact CA-O 3.26Å; T129-G502 PolarHBondContact N-O 3.46Å; T129-G502 PolarHBondContact OG1-O 3.19Å; T129-R504 HydrophobicContact CG2-CB 4.12Å
130L84.9Confident91Very high28 Ų2830.1 Ų30.115%0.14716%0.16CC..PPolyproline II helixtrans-71.9162.2175.2-60.7177.4000110.7A236 Y291 T294 Q498L130-A236 HydrophobicContact CD2-CB 3.94Å; L130-Y291 HydrophobicContact CD1-CD1 3.83Å; L130-Y291 HydrophobicContact CD1-CE1 3.96Å; L130-T294 HydrophobicContact CB-CG2 3.81Å; L130-T294 HydrophobicContact CD1-CG2 4.16Å; L130-T294 HydrophobicContact CG-CG2 4.45Å; L130-Q498 PolarHBondContact O-NE2 2.76Å
131P85.6Confident91Very high34 Ų3430.2 Ų30.222%0.22116%0.162CC..PPolyproline II helixtrans-59.8158.2166.7-22.834.5000111.9E164P131-E164 HydrophobicContact CB-CB 4.31Å; P131-E164 WeakPolarHBondContact CB-O 3.3Å; P131-E164 HydrophobicContact CG-CB 4.11Å; P131-E164 WeakPolarHBondContact CG-O 3.32Å
132P91.2Very high91.1Very high1 Ų129 Ų291%0.00616%0.158CC..PPolyproline II helixtrans-67.2151.7176.728.8-35.3000112.2F134 A165 T166 F414 P500P132-F134 HydrophobicContact CB-CE2 3.88Å; P132-F134 HydrophobicContact CB-CZ 4.27Å; P132-F134 HydrophobicContact CG-CE2 3.87Å; P132-F134 HydrophobicContact CG-CZ 4.42Å; P132-A165 HydrophobicContact CG-CB 4.37Å; P132-A165 WeakPolarHBondContact O-CA 2.98Å; P132-T166 PolarHBondContact O-N 3.07Å; P132-F414 HydrophobicContact CB-CD2 4.04Å; P132-F414 HydrophobicContact CB-CE1 4.34Å; P132-F414 HydrophobicContact CB-CE2 3.5Å; P132-F414 HydrophobicContact CB-CZ 3.66Å; P132-F414 HydrophobicContact CG-CE2 4.12Å; P132-F414 HydrophobicContact CG-CZ 4.44Å; P132-P500 WeakPolarHBondContact CD-O 3.49Å
133I95.1Very high91Very high0 Ų032.9 Ų32.90%018%0.181CC..EExtended strand (participates in β ladder)trans-110.1136.7179.5-55.6150000110.2T166 L287 Y291 T294 G295 G296 R297I133-T166 CarbonylContact C-O 3.59Å; I133-T166 VanDerWaalsContact CA-O 3.25Å; I133-T166 WeakPolarHBondContact CA-O 3.31Å; I133-T166 HydrophobicContact CG1-CG2 4.48Å; I133-T166 HydrophobicContact CG2-CG2 4.43Å; I133-L287 HydrophobicContact CG2-CD2 3.88Å; I133-Y291 HydrophobicContact CD1-CD1 3.61Å; I133-Y291 HydrophobicContact CD1-CD2 3.75Å; I133-Y291 HydrophobicContact CD1-CE1 4.28Å; I133-Y291 HydrophobicContact CD1-CE2 4.43Å; I133-Y291 HydrophobicContact CD1-CG 3.3Å; I133-Y291 HydrophobicContact CG1-CD1 4.47Å; I133-Y291 HydrophobicContact CG1-CG 4.36Å; I133-T294 HydrophobicContact CD1-CG2 3.99Å; I133-G295 PolarHBondContact N-O 3.49Å; I133-G296 CarbonylContact O-C 3.55Å; I133-G296 WeakPolarHBondContact O-CA 3.15Å; I133-R297 PolarHBondContact O-N 3.34Å
134F97.3Very high91.1Very high0 Ų035.6 Ų35.60%021%0.205CC..EExtended strand (participates in β ladder)trans-126.6106.7176.4-62-87.4000109.9P132 F136 L161 A165 T166 V167 G168 R297 M299 F402 L410 M412 F414P132-F134 HydrophobicContact CB-CE2 3.88Å; P132-F134 HydrophobicContact CB-CZ 4.27Å; P132-F134 HydrophobicContact CG-CE2 3.87Å; P132-F134 HydrophobicContact CG-CZ 4.42Å; F134-F136 HydrophobicContact CB-CE2 4.24Å; F134-F136 HydrophobicContact CB-CZ 4.42Å; F134-L161 HydrophobicContact CB-CD1 4.21Å; F134-L161 HydrophobicContact CD1-CD2 4.11Å; F134-L161 HydrophobicContact CD2-CD1 3.98Å; F134-L161 HydrophobicContact CD2-CD2 3.66Å; F134-L161 HydrophobicContact CD2-CG 4.44Å; F134-L161 HydrophobicContact CE1-CD2 3.96Å; F134-L161 HydrophobicContact CE2-CD2 3.5Å; F134-L161 HydrophobicContact CG-CD1 4.12Å; F134-L161 HydrophobicContact CG-CD2 3.96Å; F134-L161 HydrophobicContact CZ-CD2 3.66Å; F134-A165 HydrophobicContact CD2-CB 4.04Å; F134-A165 HydrophobicContact CE2-CB 3.98Å; F134-T166 PolarHBondContact N-O 3.12Å; F134-V167 HydrophobicContact CB-CG1 4.46Å; F134-V167 CarbonylContact O-C 3.47Å; F134-V167 VanDerWaalsContact O-CA 3.28Å; F134-V167 WeakPolarHBondContact O-CA 2.97Å; F134-G168 PolarHBondContact O-N 2.94Å; F134-R297 HydrophobicContact CD1-CB 4.26Å; F134-R297 HydrophobicContact CD1-CG 4.29Å; F134-R297 HydrophobicContact CE1-CG 4.17Å; F134-M299 HydrophobicContact CD1-CE 3.46Å; F134-M299 VanDerWaalsContact CD1-CE 3.46Å; F134-M299 HydrophobicContact CD1-SD 4.33Å; F134-M299 HydrophobicContact CE1-CE 3.91Å; F134-F402 HydrophobicContact CD1-CE1 4.34Å; F134-F402 HydrophobicContact CE1-CE1 4.17Å; F134-L410 HydrophobicContact CE2-CD1 4.36Å; F134-L410 HydrophobicContact CZ-CD1 3.72Å; F134-M412 HydrophobicContact CE1-SD 4.5Å; F134-F414 HydrophobicContact CE1-CZ 4.5Å; F134-F414 HydrophobicContact CZ-CZ 4.02Å
135L98.2Very high91.3Very high1 Ų142 Ų421%0.00524%0.235CC..EExtended strand (participates in β ladder)trans-104.6107.6-179.9-179.957.6000109.5V137 I170 L242 A283 L286 L287 R297 I298 M299L135-V137 HydrophobicContact CG-CG2 4.23Å; L135-I170 HydrophobicContact CD1-CD1 4.08Å; L135-I170 HydrophobicContact CD1-CG1 4.07Å; L135-I170 HydrophobicContact CD2-CD1 4.02Å; L135-I170 HydrophobicContact CG-CD1 4.32Å; L135-L242 HydrophobicContact CD1-CD2 4.32Å; L135-A283 HydrophobicContact CD2-CB 3.72Å; L135-L286 HydrophobicContact CD2-CD2 4.42Å; L135-L287 HydrophobicContact CB-CD1 4.39Å; L135-L287 HydrophobicContact CD2-CD1 4.2Å; L135-L287 HydrophobicContact CD2-CD2 4.15Å; L135-L287 HydrophobicContact CD2-CG 3.92Å; L135-R297 PolarHBondContact N-O 3.42Å; L135-I298 HydrophobicContact CD2-CG1 4.4Å; L135-M299 PolarHBondContact O-N 3.32Å
136F98.5Very high92.2Very high4 Ų439.7 Ų39.72%0.01822%0.218CC..EExtended strand (participates in β ladder)trans-82.3123.6178.2-58.7-86.6000109.8F134 L154 L158 L161 V167 G168 L169 I170 M252 M299 F301 F398F134-F136 HydrophobicContact CB-CE2 4.24Å; F134-F136 HydrophobicContact CB-CZ 4.42Å; F136-L154 HydrophobicContact CD1-CD2 3.58Å; F136-L154 HydrophobicContact CE1-CD2 3.96Å; F136-L154 HydrophobicContact CG-CD2 4.48Å; F136-L158 HydrophobicContact CE2-CD2 3.72Å; F136-L158 HydrophobicContact CZ-CD2 4.05Å; F136-L161 HydrophobicContact CZ-CD1 4.29Å; F136-V167 HydrophobicContact CE2-CB 4.5Å; F136-V167 HydrophobicContact CE2-CG1 4.36Å; F136-G168 PolarHBondContact N-O 3.15Å; F136-L169 HydrophobicContact CB-CD1 4.05Å; F136-I170 PolarHBondContact O-N 2.94Å; F136-M252 HydrophobicContact CD2-CE 3.51Å; F136-M252 HydrophobicContact CE2-CE 3.98Å; F136-M252 HydrophobicContact CG-CE 4.47Å; F136-M299 HydrophobicContact CD1-CB 4.42Å; F136-M299 HydrophobicContact CD1-SD 4.07Å; F136-M299 HydrophobicContact CE1-SD 3.7Å; F136-M299 HydrophobicContact CZ-SD 4.35Å; F136-F301 AromaticContact CD1-CE2 3.95Å; F136-F301 HydrophobicContact CD1-CE2 3.95Å; F136-F301 HydrophobicContact CD1-CZ 4.26Å; F136-F398 HydrophobicContact CE1-CZ 4.5Å
137V98.7Very high92.9Very high0 Ų029.9 Ų29.90%018%0.181CC..EExtended strand (participates in β ladder)trans-119.5101.6-179.8-172.30000108.5L135 I170 F172 A279 A283 I298 M299 L300 F301L135-V137 HydrophobicContact CG-CG2 4.23Å; V137-I170 CarbonylContact C-O 3.18Å; V137-I170 WeakPolarHBondContact CA-O 3.39Å; V137-I170 HydrophobicContact CG1-CB 4.33Å; V137-I170 HydrophobicContact CG1-CG2 4.14Å; V137-I170 HydrophobicContact CG2-CB 4.31Å; V137-I170 HydrophobicContact CG2-CD1 4.46Å; V137-F172 HydrophobicContact CG1-CD1 3.84Å; V137-F172 HydrophobicContact CG1-CE1 3.86Å; V137-A279 HydrophobicContact CG1-CB 4.03Å; V137-A283 HydrophobicContact CG2-CB 3.85Å; V137-I298 HydrophobicContact CG2-CG2 3.67Å; V137-M299 PolarHBondContact N-O 3.21Å; V137-L300 HydrophobicContact CB-CD1 4.05Å; V137-L300 HydrophobicContact CG1-CD1 3.74Å; V137-F301 PolarHBondContact O-N 2.93Å
138I98.5Very high93.9Very high3 Ų335.5 Ų35.52%0.01520%0.198CC..EExtended strand (participates in β ladder)trans-108.6125-165.4-55.2173.7000111L147 L150 L154 L169 I170 T171 F172 L256 F301I138-L147 HydrophobicContact CG2-CD1 4.39Å; I138-L150 HydrophobicContact CG2-CD2 3.81Å; I138-L154 HydrophobicContact CD1-CD1 3.27Å; I138-L154 HydrophobicContact CG1-CD1 3.94Å; I138-L169 HydrophobicContact CD1-CD1 3.47Å; I138-L169 VanDerWaalsContact CD1-CD1 3.47Å; I138-L169 HydrophobicContact CG1-CD1 4.12Å; I138-I170 PolarHBondContact N-O 2.82Å; I138-T171 HydrophobicContact CB-CG2 4.32Å; I138-T171 CarbonylContact O-C 3.5Å; I138-T171 VanDerWaalsContact O-CA 3.3Å; I138-T171 WeakPolarHBondContact O-CA 3.46Å; I138-F172 VanDerWaalsContact C-CE1 3.46Å; I138-F172 WeakPolarHBondContact O-CD1 3.47Å; I138-F172 PolarHBondContact O-N 2.88Å; I138-L256 HydrophobicContact CD1-CD2 3.68Å; I138-F301 HydrophobicContact CG1-CD2 4.36Å
139D98.3Very high95Very high1 Ų132.4 Ų32.41%0.00518%0.178CC..EExtended strand (participates in β ladder)trans-76.3123.3169.6-176.713.1000112.2C141 F172 R274 F301 G303D139-C141 PolarHBondContact OD1-N 3.01Å; D139-C141 VanDerWaalsContact OD1-N 3.13Å; D139-F172 HydrophobicContact CB-CE1 3.89Å; D139-F172 HydrophobicContact CB-CE2 4.12Å; D139-F172 HydrophobicContact CB-CZ 3.56Å; D139-R274 IonicContact OD1-CZ 3.67Å; D139-R274 IonicContact OD1-NH1 3.38Å; D139-R274 PolarHBondContact OD1-NH1 3.17Å; D139-R274 VanDerWaalsContact OD2-CD 3.26Å; D139-R274 WeakPolarHBondContact OD2-CD 3.14Å; D139-R274 IonicContact OD2-CZ 2.7Å; D139-R274 IonicContact OD2-NE 2.6Å; D139-R274 PolarHBondContact OD2-NE 2.95Å; D139-R274 IonicContact OD2-NH1 3.72Å; D139-R274 PolarHBondContact OD2-NH1 2.86Å; D139-R274 IonicContact OD2-NH2 3.56Å; D139-F301 WeakPolarHBondContact CB-O 3.4Å; D139-F301 PolarHBondContact N-O 2.92Å; D139-F301 VanDerWaalsContact N-O 3.09Å; D139-G303 PolarHBondContact OD2-N 2.84Å
140T97.8Very high95.8Very high4 Ų430.5 Ų30.53%0.02517%0.167CC..  trans-100-5.9-179.864.60000113.1V142 T171 F172 D173 V259 C261 N262T140-V142 PolarHBondContact O-N 2.95Å; T140-T171 HydrophobicContact CG2-CG2 4.4Å; T140-F172 PolarHBondContact N-O 3.28Å; T140-F172 PolarHBondContact OG1-O 3.04Å; T140-D173 WeakPolarHBondContact OG1-CB 3.47Å; T140-V259 HydrophobicContact CG2-CG1 3.82Å; T140-C261 WeakPolarHBondContact O-CA 3.48Å; T140-N262 PolarHBondContact O-N 3.14Å
141C97Very high96.5Very high9 Ų930.7 Ų30.76%0.06117%0.166CC..  trans-84.858.3173.9-11.30000111.4D139 D173 N262 P272 R274D139-C141 PolarHBondContact OD1-N 3.01Å; D139-C141 VanDerWaalsContact OD1-N 3.13Å; C141-D173 WeakPolarHBondContact SG-CA 3.13Å; C141-D173 VanDerWaalsContact SG-CB 3.59Å; C141-N262 HydrophobicContact CB-CB 3.86Å; C141-P272 HydrophobicContact CB-CB 3.41Å; C141-P272 VanDerWaalsContact CB-CB 3.41Å; C141-P272 HydrophobicContact CB-CG 3.99Å; C141-R274 PolarHBondContact O-NH1 2.97Å; C141-R274 PolarHBondContact O-NH2 3.31Å; C141-R274 PolarHBondContact SG-NH1 3.07Å; C141-R274 VanDerWaalsContact SG-NH1 3.43Å
142V95.7Very high97Very high22 Ų2230.8 Ų30.813%0.13317%0.173CC..SBendtrans-125.9169.9173.2-61.20000109.3T140 E146 L147 C261 F389T140-V142 PolarHBondContact O-N 2.95Å; V142-E146 HydrophobicContact CB-CB 4.01Å; V142-E146 HydrophobicContact CG2-CB 4.16Å; V142-L147 HydrophobicContact CG2-CB 3.8Å; V142-L147 HydrophobicContact CG2-CD1 4.32Å; V142-C261 PolarHBondContact O-SG 2.72Å; V142-F389 HydrophobicContact CG1-CE2 4.47Å
143T94.9Very high97.3Very high81 Ų8131.1 Ų31.150%0.49718%0.176SC..  trans-69.2161175.369.90000110.8E145 E146 L147T143-E145 PolarHBondContact O-N 3.34Å; T143-E146 PolarHBondContact O-N 3.42Å; T143-E146 VanDerWaalsContact OG1-CG 3.26Å; T143-E146 WeakPolarHBondContact OG1-CG 3.37Å; T143-E146 PolarHBondContact OG1-N 2.96Å; T143-L147 PolarHBondContact O-N 3.29Å
144A95.7Very high97.4Very high72 Ų7231.2 Ų31.260%0.59518%0.176SC*.Hα-helixtrans-62-33.3179.300000112.7K148 C261A144-K148 VanDerWaalsContact O-CB 3.24Å; A144-K148 WeakPolarHBondContact O-CB 3.46Å; A144-K148 PolarHBondContact O-N 3.49Å; A144-C261 VanDerWaalsContact CA-SG 3.55Å; A144-C261 PolarHBondContact N-SG 2.97Å
145E96.8Very high97.4Very high159 Ų15934 Ų3474%0.74319%0.19SC*.Hα-helixtrans-66-48.5176.3-66.6172-179.200111.3T143 K148 A149T143-E145 PolarHBondContact O-N 3.34Å; E145-K148 PolarHBondContact O-N 3.2Å; E145-A149 PolarHBondContact O-N 3.32Å
146E97.5Very high97.2Very high39 Ų3936.4 Ų36.418%0.18220%0.201CC..Hα-helixtrans-60.8-46176.2-70.5-63.7149.700111.7V142 T143 K148 A149 L150 S388 F389V142-E146 HydrophobicContact CB-CB 4.01Å; V142-E146 HydrophobicContact CG2-CB 4.16Å; T143-E146 PolarHBondContact O-N 3.42Å; T143-E146 VanDerWaalsContact OG1-CG 3.26Å; T143-E146 WeakPolarHBondContact OG1-CG 3.37Å; T143-E146 PolarHBondContact OG1-N 2.96Å; E146-K148 VanDerWaalsContact C-N 3.34Å; E146-K148 PolarHBondContact O-N 3.18Å; E146-A149 PolarHBondContact O-N 3.21Å; E146-L150 WeakPolarHBondContact O-CB 3.39Å; E146-L150 PolarHBondContact O-N 3.46Å; E146-S388 VanDerWaalsContact CD-OG 3.25Å; E146-S388 WeakPolarHBondContact OE1-CB 3.42Å; E146-S388 PolarHBondContact OE1-OG 3.13Å; E146-S388 PolarHBondContact OE2-OG 3.07Å; E146-F389 HydrophobicContact CB-CD2 4.35Å; E146-F389 WeakPolarHBondContact OE2-CB 3.47Å; E146-F389 WeakPolarHBondContact OE2-CD2 3.36Å; E146-F389 PolarHBondContact OE2-N 2.89Å
147L97.7Very high97.1Very high7 Ų736.2 Ų36.24%0.03720%0.2CC..Hα-helixtrans-63.4-41.1178.4-172.358.7000111.5I138 V142 T143 L150 K151 V259 D260I138-L147 HydrophobicContact CG2-CD1 4.39Å; V142-L147 HydrophobicContact CG2-CB 3.8Å; V142-L147 HydrophobicContact CG2-CD1 4.32Å; T143-L147 PolarHBondContact O-N 3.29Å; L147-L150 PolarHBondContact O-N 3.48Å; L147-K151 WeakPolarHBondContact O-CB 3.36Å; L147-K151 VanDerWaalsContact O-CG 3.26Å; L147-K151 WeakPolarHBondContact O-CG 3.34Å; L147-K151 PolarHBondContact O-N 2.92Å; L147-V259 HydrophobicContact CD2-CG1 4.49Å; L147-V259 WeakPolarHBondContact CD2-O 3.05Å; L147-D260 VanDerWaalsContact CD2-C 3.48Å
148K97.6Very high96.9Very high162 Ų16236.4 Ų36.470%0.70420%0.201SC*.Hα-helixtrans-61.8-45.3176.7-178.8-178.3178.2-177.10111.6A144 E145 E146 K151 G152A144-K148 VanDerWaalsContact O-CB 3.24Å; A144-K148 WeakPolarHBondContact O-CB 3.46Å; A144-K148 PolarHBondContact O-N 3.49Å; E145-K148 PolarHBondContact O-N 3.2Å; E146-K148 VanDerWaalsContact C-N 3.34Å; E146-K148 PolarHBondContact O-N 3.18Å; K148-K151 PolarHBondContact O-N 2.99Å; K148-G152 PolarHBondContact O-N 2.9Å; K148-G152 VanDerWaalsContact O-N 3.13Å
149A97.8Very high96.7Very high12 Ų1239.9 Ų39.910%0.09923%0.226CC..Hα-helixtrans-63.8-41.7177.400000112.1E145 E146 G152 S153 F389 D390E145-A149 PolarHBondContact O-N 3.32Å; E146-A149 PolarHBondContact O-N 3.21Å; A149-G152 PolarHBondContact O-N 2.79Å; A149-S153 PolarHBondContact O-N 3.07Å; A149-S153 VanDerWaalsContact O-N 3.15Å; A149-S153 PolarHBondContact O-OG 3.23Å; A149-F389 HydrophobicContact CB-CB 4.39Å; A149-D390 HydrophobicContact CB-CB 3.71Å
150L98.1Very high96.5Very high1 Ų141.9 Ų41.91%0.00524%0.236CC..Hα-helixtrans-61.5-48.8174.9177.755.7000111.3I138 E146 L147 G152 S153 L154 F301 F389 F394I138-L150 HydrophobicContact CG2-CD2 3.81Å; E146-L150 WeakPolarHBondContact O-CB 3.39Å; E146-L150 PolarHBondContact O-N 3.46Å; L147-L150 PolarHBondContact O-N 3.48Å; L150-G152 VanDerWaalsContact C-N 3.32Å; L150-G152 PolarHBondContact O-N 2.85Å; L150-S153 WeakPolarHBondContact O-CB 3.49Å; L150-S153 PolarHBondContact O-N 3.2Å; L150-L154 HydrophobicContact CD1-CD1 4.14Å; L150-L154 HydrophobicContact CD1-CD2 4.38Å; L150-L154 HydrophobicContact CD1-CG 4.03Å; L150-L154 HydrophobicContact CG-CD1 4Å; L150-L154 HydrophobicContact CG-CG 4.36Å; L150-L154 VanDerWaalsContact O-CG 3.32Å; L150-L154 WeakPolarHBondContact O-CG 3.5Å; L150-L154 PolarHBondContact O-N 2.94Å; L150-F301 HydrophobicContact CD1-CB 4.23Å; L150-F301 HydrophobicContact CD1-CD1 3.48Å; L150-F301 VanDerWaalsContact CD1-CD1 3.48Å; L150-F301 HydrophobicContact CD1-CE1 4.04Å; L150-F301 HydrophobicContact CD1-CG 3.91Å; L150-F301 HydrophobicContact CD2-CB 3.93Å; L150-F301 HydrophobicContact CD2-CG 4.41Å; L150-F389 HydrophobicContact CB-CB 4.19Å; L150-F389 HydrophobicContact CB-CD1 4.35Å; L150-F389 HydrophobicContact CB-CD2 4.41Å; L150-F389 HydrophobicContact CB-CG 4.08Å; L150-F389 HydrophobicContact CD1-CD1 3.89Å; L150-F389 HydrophobicContact CD1-CE1 4.03Å; L150-F389 HydrophobicContact CD1-CG 4.48Å; L150-F389 HydrophobicContact CD2-CD2 4.5Å; L150-F389 HydrophobicContact CD2-CE1 4.29Å; L150-F389 HydrophobicContact CD2-CE2 4.27Å; L150-F389 HydrophobicContact CD2-CZ 4.17Å; L150-F389 HydrophobicContact CG-CD1 4.47Å; L150-F394 HydrophobicContact CD1-CE1 4.42Å; L150-F394 HydrophobicContact CD1-CZ 4.06Å
151K97.7Very high96.3Very high32 Ų3242.1 Ų42.114%0.13924%0.237CC..Hα-helixtrans-53-47.4176.2-75.6175.3179.7-163.10112.2L147 K148 S153 L154 Q155 L256 E257 V259L147-K151 WeakPolarHBondContact O-CB 3.36Å; L147-K151 VanDerWaalsContact O-CG 3.26Å; L147-K151 WeakPolarHBondContact O-CG 3.34Å; L147-K151 PolarHBondContact O-N 2.92Å; K148-K151 PolarHBondContact O-N 2.99Å; K151-S153 VanDerWaalsContact C-N 3.3Å; K151-S153 PolarHBondContact O-N 3.22Å; K151-L154 PolarHBondContact O-N 3.06Å; K151-Q155 WeakPolarHBondContact O-CG 3.35Å; K151-Q155 PolarHBondContact O-N 2.88Å; K151-L256 WeakPolarHBondContact CD-O 3.15Å; K151-L256 WeakPolarHBondContact CE-O 3.47Å; K151-L256 PolarHBondContact NZ-O 2.87Å; K151-L256 VanDerWaalsContact NZ-O 3.07Å; K151-E257 PolarHBondContact NZ-O 3.38Å; K151-V259 WeakPolarHBondContact CE-O 3.02Å; K151-V259 PolarHBondContact NZ-O 3.04Å
152G97Very high96Very high36 Ų3643.1 Ų43.137%0.37124%0.244SC..Hα-helixtrans-60.6-39.3177.800000112.9K148 A149 L150 M156K148-G152 PolarHBondContact O-N 2.9Å; K148-G152 VanDerWaalsContact O-N 3.13Å; A149-G152 PolarHBondContact O-N 2.79Å; L150-G152 VanDerWaalsContact C-N 3.32Å; L150-G152 PolarHBondContact O-N 2.85Å; G152-M156 PolarHBondContact O-N 3.14Å; G152-M156 VanDerWaalsContact O-N 3.07Å
153S97.6Very high95.7Very high8 Ų846 Ų466%0.05626%0.263CS..Hα-helixtrans-66.7-39.5176.2-56.10000112A149 L150 K151 M156 A157 F398A149-S153 PolarHBondContact O-N 3.07Å; A149-S153 VanDerWaalsContact O-N 3.15Å; A149-S153 PolarHBondContact O-OG 3.23Å; L150-S153 WeakPolarHBondContact O-CB 3.49Å; L150-S153 PolarHBondContact O-N 3.2Å; K151-S153 VanDerWaalsContact C-N 3.3Å; K151-S153 PolarHBondContact O-N 3.22Å; S153-M156 PolarHBondContact O-N 3.22Å; S153-A157 PolarHBondContact O-N 3.35Å; S153-F398 WeakPolarHBondContact O-CE1 3.43Å
154L97.5Very high95.5Very high2 Ų247.6 Ų47.61%0.0127%0.265CS..Hα-helixtrans-67.7-42.4176.8-65.2173.2000112.3F136 I138 L150 K151 M156 A157 L158 L256 F301 F398F136-L154 HydrophobicContact CD1-CD2 3.58Å; F136-L154 HydrophobicContact CE1-CD2 3.96Å; F136-L154 HydrophobicContact CG-CD2 4.48Å; I138-L154 HydrophobicContact CD1-CD1 3.27Å; I138-L154 HydrophobicContact CG1-CD1 3.94Å; L150-L154 HydrophobicContact CD1-CD1 4.14Å; L150-L154 HydrophobicContact CD1-CD2 4.38Å; L150-L154 HydrophobicContact CD1-CG 4.03Å; L150-L154 HydrophobicContact CG-CD1 4Å; L150-L154 HydrophobicContact CG-CG 4.36Å; L150-L154 VanDerWaalsContact O-CG 3.32Å; L150-L154 WeakPolarHBondContact O-CG 3.5Å; L150-L154 PolarHBondContact O-N 2.94Å; K151-L154 PolarHBondContact O-N 3.06Å; L154-M156 VanDerWaalsContact C-N 3.31Å; L154-M156 PolarHBondContact O-N 3.07Å; L154-A157 WeakPolarHBondContact O-CB 3.34Å; L154-A157 PolarHBondContact O-N 3.4Å; L154-A157 VanDerWaalsContact O-N 3.14Å; L154-L158 WeakPolarHBondContact O-CG 3.32Å; L154-L158 PolarHBondContact O-N 2.87Å; L154-L256 HydrophobicContact CB-CD1 4.19Å; L154-L256 HydrophobicContact CD1-CD2 4.02Å; L154-F301 HydrophobicContact CD2-CD2 4.37Å; L154-F301 HydrophobicContact CD2-CE1 4Å; L154-F301 HydrophobicContact CD2-CE2 3.7Å; L154-F301 HydrophobicContact CD2-CZ 3.49Å; L154-F301 VanDerWaalsContact CD2-CZ 3.49Å; L154-F398 HydrophobicContact CD2-CE1 4.24Å; L154-F398 HydrophobicContact CD2-CZ 4.06Å
155Q96.1Very high95.4Very high60 Ų6044.1 Ų44.128%0.2824%0.237SC..Hα-helixtrans-60.1-42.3174.4-72.6175.4-3200111.3K151 L158 S159 L256 E257K151-Q155 WeakPolarHBondContact O-CG 3.35Å; K151-Q155 PolarHBondContact O-N 2.88Å; Q155-L158 PolarHBondContact O-N 2.82Å; Q155-S159 PolarHBondContact O-N 3.08Å; Q155-L256 HydrophobicContact CG-CD1 4.43Å; Q155-E257 PolarHBondContact NE2-OE1 2.93Å
156M95.5Very high95.3Very high51 Ų5136.7 Ų36.725%0.25120%0.202SC..Hα-helixtrans-59.9-47.2172.1177.1-134.664.300111.1G152 S153 L154 L158 S159 L160 F398 Q399G152-M156 PolarHBondContact O-N 3.14Å; G152-M156 VanDerWaalsContact O-N 3.07Å; S153-M156 PolarHBondContact O-N 3.22Å; L154-M156 VanDerWaalsContact C-N 3.31Å; L154-M156 PolarHBondContact O-N 3.07Å; M156-L158 VanDerWaalsContact C-N 3.35Å; M156-L158 PolarHBondContact O-N 3.2Å; M156-S159 PolarHBondContact O-N 3.02Å; M156-S159 VanDerWaalsContact O-N 3.13Å; M156-S159 PolarHBondContact O-OG 2.93Å; M156-L160 HydrophobicContact CE-CD1 4.03Å; M156-L160 HydrophobicContact CG-CD1 4.44Å; M156-L160 WeakPolarHBondContact O-CG 3.34Å; M156-L160 PolarHBondContact O-N 3.28Å; M156-L160 HydrophobicContact SD-CD1 4.38Å; M156-F398 HydrophobicContact CE-CD1 4.25Å; M156-Q399 HydrophobicContact CE-CB 3.85Å; M156-Q399 HydrophobicContact CE-CG 4.09Å; M156-Q399 HydrophobicContact SD-CB 3.73Å; M156-Q399 HydrophobicContact SD-CG 3.63Å
157A95.5Very high95.2Very high0 Ų034.9 Ų34.90%019%0.193CC..Hα-helixtrans-59.5-43.6179.100000112.5S153 L154 S159 L160 L161 F398 F402S153-A157 PolarHBondContact O-N 3.35Å; L154-A157 WeakPolarHBondContact O-CB 3.34Å; L154-A157 PolarHBondContact O-N 3.4Å; L154-A157 VanDerWaalsContact O-N 3.14Å; A157-S159 VanDerWaalsContact C-N 3.26Å; A157-S159 PolarHBondContact O-N 2.84Å; A157-L160 PolarHBondContact O-N 3.11Å; A157-L161 PolarHBondContact O-N 3.17Å; A157-F398 HydrophobicContact CB-CE1 3.55Å; A157-F398 HydrophobicContact CB-CZ 3.76Å; A157-F402 HydrophobicContact CB-CD2 4Å; A157-F402 HydrophobicContact CB-CE2 3.43Å; A157-F402 VanDerWaalsContact CB-CE2 3.43Å; A157-F402 HydrophobicContact CB-CZ 3.74Å
158L95.2Very high95.2Very high3 Ų334.5 Ų34.52%0.01619%0.192CC..Hα-helixtrans-55.6-41.3175.5-70.8172000111.7F136 L154 Q155 M156 L160 L161 V167 I245 M252 L256F136-L158 HydrophobicContact CE2-CD2 3.72Å; F136-L158 HydrophobicContact CZ-CD2 4.05Å; L154-L158 WeakPolarHBondContact O-CG 3.32Å; L154-L158 PolarHBondContact O-N 2.87Å; Q155-L158 PolarHBondContact O-N 2.82Å; M156-L158 VanDerWaalsContact C-N 3.35Å; M156-L158 PolarHBondContact O-N 3.2Å; L158-L160 PolarHBondContact O-N 2.94Å; L158-L161 HydrophobicContact CD2-CD1 4.37Å; L158-L161 PolarHBondContact O-N 2.78Å; L158-V167 HydrophobicContact CD2-CG1 4.22Å; L158-I245 HydrophobicContact CB-CD1 4.14Å; L158-I245 HydrophobicContact CD2-CD1 4.02Å; L158-I245 WeakPolarHBondContact O-CD1 3.39Å; L158-M252 HydrophobicContact CD1-CB 4.26Å; L158-M252 HydrophobicContact CD1-CG 3.53Å; L158-M252 HydrophobicContact CD2-CE 4.17Å; L158-M252 HydrophobicContact CD2-CG 4.08Å; L158-M252 HydrophobicContact CG-CG 4.48Å; L158-L256 HydrophobicContact CD1-CD1 3.64Å
159S93.5Very high95.2Very high77 Ų7726.9 Ų26.954%0.53816%0.159SC..Hα-helixtrans-66.7-20.217878.50000114.6Q155 M156 A157Q155-S159 PolarHBondContact O-N 3.08Å; M156-S159 PolarHBondContact O-N 3.02Å; M156-S159 VanDerWaalsContact O-N 3.13Å; M156-S159 PolarHBondContact O-OG 2.93Å; A157-S159 VanDerWaalsContact C-N 3.26Å; A157-S159 PolarHBondContact O-N 2.84Å
160L93.9Very high95.2Very high42 Ų4226.3 Ų26.322%0.2215%0.154CC..Hα-helixtrans-90.8-19.6-179.1-62.6175.5000113M156 A157 L158 Q399 F402 K404M156-L160 HydrophobicContact CE-CD1 4.03Å; M156-L160 HydrophobicContact CG-CD1 4.44Å; M156-L160 WeakPolarHBondContact O-CG 3.34Å; M156-L160 PolarHBondContact O-N 3.28Å; M156-L160 HydrophobicContact SD-CD1 4.38Å; A157-L160 PolarHBondContact O-N 3.11Å; L158-L160 PolarHBondContact O-N 2.94Å; L160-Q399 HydrophobicContact CD1-CG 4.24Å; L160-F402 HydrophobicContact CB-CB 3.88Å; L160-F402 HydrophobicContact CB-CG 4.47Å; L160-F402 HydrophobicContact CD1-CB 3.88Å; L160-K404 WeakPolarHBondContact O-CE 3.41Å; L160-K404 PolarHBondContact O-NZ 3.35Å
161L93.5Very high95.2Very high9 Ų926.5 Ų26.55%0.04716%0.155CC..SBendtrans-67.3148.2-177.8-69.3-179.9000112.8F134 F136 A157 L158 A165 V167 I245 F402 L410F134-L161 HydrophobicContact CB-CD1 4.21Å; F134-L161 HydrophobicContact CD1-CD2 4.11Å; F134-L161 HydrophobicContact CD2-CD1 3.98Å; F134-L161 HydrophobicContact CD2-CD2 3.66Å; F134-L161 HydrophobicContact CD2-CG 4.44Å; F134-L161 HydrophobicContact CE1-CD2 3.96Å; F134-L161 HydrophobicContact CE2-CD2 3.5Å; F134-L161 HydrophobicContact CG-CD1 4.12Å; F134-L161 HydrophobicContact CG-CD2 3.96Å; F134-L161 HydrophobicContact CZ-CD2 3.66Å; F136-L161 HydrophobicContact CZ-CD1 4.29Å; A157-L161 PolarHBondContact O-N 3.17Å; L158-L161 HydrophobicContact CD2-CD1 4.37Å; L158-L161 PolarHBondContact O-N 2.78Å; L161-A165 HydrophobicContact CB-CB 4.46Å; L161-V167 HydrophobicContact CD1-CG1 3.66Å; L161-I245 HydrophobicContact CB-CD1 3.99Å; L161-I245 HydrophobicContact CD1-CD1 4.22Å; L161-F402 HydrophobicContact CD2-CD1 3.7Å; L161-F402 HydrophobicContact CD2-CE1 3.66Å; L161-L410 HydrophobicContact CD2-CD1 4.41Å
162P90.9Very high95.3Very high30 Ų3025 Ų2520%0.19515%0.148CC..  trans-58140.5170.1-23.333.1000111.5E164 A165 I245 L410P162-E164 PolarHBondContact O-N 2.82Å; P162-E164 VanDerWaalsContact O-N 3.08Å; P162-A165 HydrophobicContact CB-CB 4.35Å; P162-A165 WeakPolarHBondContact O-CB 3.06Å; P162-A165 PolarHBondContact O-N 2.82Å; P162-I245 WeakPolarHBondContact O-CG2 3.45Å; P162-L410 HydrophobicContact CG-CD1 4.18Å; P162-L410 HydrophobicContact CG-CG 4.27Å
163P90.5Very high95.3Very high83 Ų8323.6 Ų23.654%0.53913%0.132SC..THydrogen-bonded Turntrans-55.4-30.6-178.6-28.935.8000114.9I245 H246P163-I245 VanDerWaalsContact C-CG2 3.46Å; P163-I245 VanDerWaalsContact CA-CG2 3.5Å; P163-I245 WeakPolarHBondContact O-CG2 3.46Å; P163-H246 HydrophobicContact CB-CB 4.14Å; P163-H246 WeakPolarHBondContact O-CB 3.24Å; P163-H246 PolarHBondContact O-CD2 2.76Å; P163-H246 PolarHBondContact O-N 2.85Å; P163-H246 VanDerWaalsContact O-N 3.1Å
164E90.1Very high95.2Very high114 Ų11427.1 Ų27.153%0.53314%0.144SC..THydrogen-bonded Turntrans-85.1-9.1179.5-57.7-57.5141.400113.5P131 P162 T166 H246P131-E164 HydrophobicContact CB-CB 4.31Å; P131-E164 WeakPolarHBondContact CB-O 3.3Å; P131-E164 HydrophobicContact CG-CB 4.11Å; P131-E164 WeakPolarHBondContact CG-O 3.32Å; P162-E164 PolarHBondContact O-N 2.82Å; P162-E164 VanDerWaalsContact O-N 3.08Å; E164-T166 PolarHBondContact O-N 3.28Å; E164-H246 IonicContact OE2-NE2 3.84Å
165A92.8Very high95.2Very high0 Ų029.2 Ų29.20%016%0.155CC..  trans-63.7136.5179.800000110.2P132 F134 L161 P162 P244 I245P132-A165 HydrophobicContact CG-CB 4.37Å; P132-A165 WeakPolarHBondContact O-CA 2.98Å; F134-A165 HydrophobicContact CD2-CB 4.04Å; F134-A165 HydrophobicContact CE2-CB 3.98Å; L161-A165 HydrophobicContact CB-CB 4.46Å; P162-A165 HydrophobicContact CB-CB 4.35Å; P162-A165 WeakPolarHBondContact O-CB 3.06Å; P162-A165 PolarHBondContact O-N 2.82Å; A165-P244 CarbonylContact O-C 3.58Å; A165-P244 WeakPolarHBondContact O-CA 3.31Å; A165-I245 PolarHBondContact O-N 2.87Å
166T94.5Very high95.3Very high3 Ų326.4 Ų26.42%0.01814%0.141CC..EExtended strand (participates in β ladder)trans-86.5128.6178.9-61.40000109.3P132 I133 F134 E164 L242 Q243 Y291P132-T166 PolarHBondContact O-N 3.07Å; I133-T166 CarbonylContact C-O 3.59Å; I133-T166 VanDerWaalsContact CA-O 3.25Å; I133-T166 WeakPolarHBondContact CA-O 3.31Å; I133-T166 HydrophobicContact CG1-CG2 4.48Å; I133-T166 HydrophobicContact CG2-CG2 4.43Å; F134-T166 PolarHBondContact N-O 3.12Å; E164-T166 PolarHBondContact O-N 3.28Å; T166-L242 HydrophobicContact CG2-CB 3.7Å; T166-Q243 CarbonylContact C-O 3.52Å; T166-Q243 WeakPolarHBondContact CA-O 3.44Å; T166-Y291 HydrophobicContact CG2-CE2 4.42Å
167V96.5Very high95.3Very high0 Ų026.7 Ų26.70%014%0.142CC..EExtended strand (participates in β ladder)trans-116.3153.1179.3-60.90000111.5F134 F136 L158 L161 L181 L242 Q243 I245 C248 M252F134-V167 HydrophobicContact CB-CG1 4.46Å; F134-V167 CarbonylContact O-C 3.47Å; F134-V167 VanDerWaalsContact O-CA 3.28Å; F134-V167 WeakPolarHBondContact O-CA 2.97Å; F136-V167 HydrophobicContact CE2-CB 4.5Å; F136-V167 HydrophobicContact CE2-CG1 4.36Å; L158-V167 HydrophobicContact CD2-CG1 4.22Å; L161-V167 HydrophobicContact CD1-CG1 3.66Å; V167-L181 HydrophobicContact CG2-CD1 4.22Å; V167-L181 WeakPolarHBondContact O-CD1 3.42Å; V167-L242 WeakPolarHBondContact O-CA 2.98Å; V167-Q243 PolarHBondContact N-O 3.34Å; V167-Q243 PolarHBondContact O-N 2.87Å; V167-Q243 VanDerWaalsContact O-N 3.11Å; V167-I245 HydrophobicContact CG1-CB 4.2Å; V167-I245 HydrophobicContact CG1-CD1 4.37Å; V167-I245 HydrophobicContact CG2-CB 4.38Å; V167-C248 WeakPolarHBondContact CG2-SG 3.37Å; V167-M252 HydrophobicContact CB-CE 4.24Å; V167-M252 HydrophobicContact CG2-CE 4.34Å
168G96.9Very high95.4Very high0 Ų027 Ų270%014%0.144CC..EExtended strand (participates in β ladder)trans-146.8157.6172.400000111.5F134 F136 F241F134-G168 PolarHBondContact O-N 2.94Å; F136-G168 PolarHBondContact N-O 3.15Å; G168-F241 WeakPolarHBondContact CA-O 3.42Å
169L98.1Very high95.5Very high2 Ų227.4 Ų27.41%0.0115%0.146CC..EExtended strand (participates in β ladder)trans-131127.8-178.7-177.962.6000111.5F136 I138 H179 M252 I255 L256F136-L169 HydrophobicContact CB-CD1 4.05Å; I138-L169 HydrophobicContact CD1-CD1 3.47Å; I138-L169 VanDerWaalsContact CD1-CD1 3.47Å; I138-L169 HydrophobicContact CG1-CD1 4.12Å; L169-H179 HydrophobicContact CB-CB 4.21Å; L169-H179 HydrophobicContact CD2-CB 4.43Å; L169-H179 HydrophobicContact CG-CB 4.43Å; L169-H179 PolarHBondContact O-N 3.21Å; L169-M252 HydrophobicContact CB-CE 3.85Å; L169-M252 HydrophobicContact CB-SD 3.81Å; L169-M252 HydrophobicContact CD2-SD 4.28Å; L169-I255 HydrophobicContact CD2-CB 4.34Å; L169-I255 HydrophobicContact CD2-CG2 3.55Å; L169-L256 HydrophobicContact CD1-CD2 4.08Å; L169-L256 HydrophobicContact CD2-CD2 4.09Å; L169-L256 HydrophobicContact CD2-CG 4.39Å
170I98.4Very high95.5Very high0 Ų024.4 Ų24.40%012%0.123CC..EExtended strand (participates in β ladder)trans-123.9129.8169.3-63.8174.8000107.3L135 F136 V137 I138 V176 Q177 V178 V282 A283 L286L135-I170 HydrophobicContact CD1-CD1 4.08Å; L135-I170 HydrophobicContact CD1-CG1 4.07Å; L135-I170 HydrophobicContact CD2-CD1 4.02Å; L135-I170 HydrophobicContact CG-CD1 4.32Å; F136-I170 PolarHBondContact O-N 2.94Å; V137-I170 CarbonylContact C-O 3.18Å; V137-I170 WeakPolarHBondContact CA-O 3.39Å; V137-I170 HydrophobicContact CG1-CB 4.33Å; V137-I170 HydrophobicContact CG1-CG2 4.14Å; V137-I170 HydrophobicContact CG2-CB 4.31Å; V137-I170 HydrophobicContact CG2-CD1 4.46Å; I138-I170 PolarHBondContact N-O 2.82Å; I170-V176 HydrophobicContact CG2-CG1 3.6Å; I170-Q177 CarbonylContact C-O 3.53Å; I170-Q177 VanDerWaalsContact CA-O 3.27Å; I170-Q177 WeakPolarHBondContact CA-O 3.2Å; I170-V178 HydrophobicContact CD1-CG2 4.4Å; I170-V178 HydrophobicContact CG1-CG1 4.33Å; I170-V178 HydrophobicContact CG1-CG2 4.19Å; I170-V282 HydrophobicContact CD1-CG1 4.15Å; I170-A283 HydrophobicContact CD1-CB 3.8Å; I170-L286 HydrophobicContact CD1-CD2 4.49Å
171T98.4Very high95.5Very high4 Ų422.7 Ų22.73%0.02511%0.114CC..EExtended strand (participates in β ladder)trans-112.1150.8167.460.90000109.4I138 T140 Q177 H179 V259I138-T171 HydrophobicContact CB-CG2 4.32Å; I138-T171 CarbonylContact O-C 3.5Å; I138-T171 VanDerWaalsContact O-CA 3.3Å; I138-T171 WeakPolarHBondContact O-CA 3.46Å; T140-T171 HydrophobicContact CG2-CG2 4.4Å; T171-Q177 PolarHBondContact N-O 2.8Å; T171-Q177 PolarHBondContact O-N 3.39Å; T171-H179 WeakPolarHBondContact CG2-NE2 3.24Å; T171-H179 PolarHBondContact OG1-NE2 2.84Å; T171-V259 HydrophobicContact CG2-CG1 3.98Å; T171-V259 HydrophobicContact CG2-CG2 3.78Å
172F98.3Very high95.2Very high0 Ų025.2 Ų25.20%013%0.13CC..EExtended strand (participates in β ladder)trans-148.4148.3178.772-84000113.6V137 I138 D139 T140 M175 V176 R274 I276 A279 L300 I302V137-F172 HydrophobicContact CG1-CD1 3.84Å; V137-F172 HydrophobicContact CG1-CE1 3.86Å; I138-F172 VanDerWaalsContact C-CE1 3.46Å; I138-F172 WeakPolarHBondContact O-CD1 3.47Å; I138-F172 PolarHBondContact O-N 2.88Å; D139-F172 HydrophobicContact CB-CE1 3.89Å; D139-F172 HydrophobicContact CB-CE2 4.12Å; D139-F172 HydrophobicContact CB-CZ 3.56Å; T140-F172 PolarHBondContact N-O 3.28Å; T140-F172 PolarHBondContact OG1-O 3.04Å; F172-M175 CarbonylContact C-O 3.56Å; F172-M175 VanDerWaalsContact CA-O 3.23Å; F172-M175 WeakPolarHBondContact CA-O 3.31Å; F172-V176 HydrophobicContact CB-CG2 4.31Å; F172-R274 HydrophobicContact CE2-CG 3.85Å; F172-I276 HydrophobicContact CE2-CB 4.3Å; F172-I276 HydrophobicContact CE2-CG1 3.7Å; F172-I276 HydrophobicContact CZ-CG1 3.96Å; F172-A279 HydrophobicContact CB-CB 3.76Å; F172-A279 HydrophobicContact CD1-CB 3.58Å; F172-A279 HydrophobicContact CD2-CB 3.95Å; F172-A279 HydrophobicContact CE1-CB 4.14Å; F172-A279 HydrophobicContact CE2-CB 4.45Å; F172-A279 HydrophobicContact CG-CB 3.47Å; F172-A279 VanDerWaalsContact CG-CB 3.47Å; F172-L300 HydrophobicContact CE1-CD1 3.85Å; F172-L300 HydrophobicContact CZ-CD1 4.05Å; F172-I302 HydrophobicContact CZ-CG2 4.21Å
173D96.7Very high94.8Very high7 Ų724.7 Ų24.74%0.03713%0.128CC..SBendtrans-135.3-112.9170.548.346000109.2T140 C141 M175 N262 W264 L273 C275T140-D173 WeakPolarHBondContact OG1-CB 3.47Å; C141-D173 WeakPolarHBondContact SG-CA 3.13Å; C141-D173 VanDerWaalsContact SG-CB 3.59Å; D173-M175 VanDerWaalsContact C-N 3.3Å; D173-M175 PolarHBondContact N-O 3.34Å; D173-M175 PolarHBondContact OD1-N 3.07Å; D173-N262 HydrophobicContact CB-CB 4.09Å; D173-W264 PolarHBondContact OD1-NE1 3.07Å; D173-L273 CarbonylContact C-O 3.4Å; D173-C275 PolarHBondContact O-N 2.62Å; D173-C275 PolarHBondContact O-SG 3.08Å
174R96.1Very high94.4Very high83 Ų8329.5 Ų29.531%0.31314%0.144SC..SBendtrans-73.2-24.8162.7-175.1-174.3177.3-178.61.3111.8G194 W264 L273 Y308R174-G194 WeakPolarHBondContact O-CA 3.29Å; R174-G194 PolarHBondContact O-N 3.43Å; R174-W264 HydrophobicContact CB-CG 4.5Å; R174-L273 WeakPolarHBondContact CA-O 3.45Å; R174-L273 HydrophobicContact CB-CB 4.19Å; R174-L273 HydrophobicContact CG-CB 4.2Å; R174-L273 HydrophobicContact CG-CD1 4.21Å; R174-L273 PolarHBondContact N-O 2.7Å; R174-L273 VanDerWaalsContact N-O 3.07Å; R174-Y308 HydrophobicContact CG-CD1 3.91Å; R174-Y308 HydrophobicContact CG-CE1 3.55Å
175M97.1Very high94Very high45 Ų4528.5 Ų28.522%0.22216%0.164CC..EExtended strand (participates in β ladder)trans-118.9158.7177.5-56.5-62.2-158.100110.1F172 D173 V191 K193 W264F172-M175 CarbonylContact C-O 3.56Å; F172-M175 VanDerWaalsContact CA-O 3.23Å; F172-M175 WeakPolarHBondContact CA-O 3.31Å; D173-M175 VanDerWaalsContact C-N 3.3Å; D173-M175 PolarHBondContact N-O 3.34Å; D173-M175 PolarHBondContact OD1-N 3.07Å; M175-V191 HydrophobicContact CB-CG1 3.74Å; M175-V191 HydrophobicContact CG-CG1 4.2Å; M175-K193 HydrophobicContact SD-CG 4.5Å; M175-W264 HydrophobicContact CE-CZ2 4.37Å; M175-W264 HydrophobicContact CG-CZ2 4.34Å
176V98.1Very high93.6Very high1 Ų134.5 Ų34.51%0.00619%0.194CC..EExtended strand (participates in β ladder)trans-108.3128175.3-175.50000108.5I170 F172 V191 F192 A278 A279 V282I170-V176 HydrophobicContact CG2-CG1 3.6Å; F172-V176 HydrophobicContact CB-CG2 4.31Å; V176-V191 CarbonylContact O-C 3.04Å; V176-V191 VanDerWaalsContact O-CA 3.31Å; V176-V191 WeakPolarHBondContact O-CA 3.45Å; V176-F192 HydrophobicContact CB-CB 4.34Å; V176-F192 PolarHBondContact N-O 3.4Å; V176-F192 PolarHBondContact O-N 2.92Å; V176-A278 HydrophobicContact CG2-CB 4.02Å; V176-A279 HydrophobicContact CG1-CB 4.27Å; V176-A279 HydrophobicContact CG2-CB 4.04Å; V176-V282 HydrophobicContact CB-CG2 4.47Å; V176-V282 HydrophobicContact CG1-CB 4.09Å; V176-V282 HydrophobicContact CG1-CG1 4.2Å; V176-V282 HydrophobicContact CG1-CG2 4.08Å
177Q97.2Very high93.2Very high58 Ų5836.4 Ų36.427%0.27121%0.21SC..EExtended strand (participates in β ladder)trans-116.4120-178.8-48.5-174.433.800110.1I170 T171 A189 Y190 V191I170-Q177 CarbonylContact C-O 3.53Å; I170-Q177 VanDerWaalsContact CA-O 3.27Å; I170-Q177 WeakPolarHBondContact CA-O 3.2Å; T171-Q177 PolarHBondContact N-O 2.8Å; T171-Q177 PolarHBondContact O-N 3.39Å; Q177-A189 HydrophobicContact CB-CB 4.15Å; Q177-Y190 CarbonylContact C-O 3.53Å; Q177-Y190 WeakPolarHBondContact CA-O 3.32Å; Q177-V191 HydrophobicContact CG-CG2 4.27Å
178V97Very high92.9Very high5 Ų539.2 Ų39.23%0.0322%0.221CC..EExtended strand (participates in β ladder)trans-101.7113.7176.6-172.90000109I170 A189 Y190 F192 F241 V282 L286I170-V178 HydrophobicContact CD1-CG2 4.4Å; I170-V178 HydrophobicContact CG1-CG1 4.33Å; I170-V178 HydrophobicContact CG1-CG2 4.19Å; V178-A189 CarbonylContact O-C 3.59Å; V178-A189 WeakPolarHBondContact O-CA 3.39Å; V178-Y190 PolarHBondContact N-O 3.01Å; V178-Y190 PolarHBondContact O-N 3.25Å; V178-F192 HydrophobicContact CG2-CD2 4.03Å; V178-F192 HydrophobicContact CG2-CE2 3.7Å; V178-F241 HydrophobicContact CG1-CB 4.25Å; V178-F241 HydrophobicContact CG1-CD1 3.67Å; V178-F241 HydrophobicContact CG1-CD2 4.48Å; V178-F241 HydrophobicContact CG1-CE1 4.04Å; V178-F241 HydrophobicContact CG1-CG 3.89Å; V178-V282 HydrophobicContact CG2-CG1 3.51Å; V178-L286 HydrophobicContact CG1-CD2 4.16Å
179H96Very high92.8Very high12 Ų1240.9 Ų40.96%0.05623%0.234CC..EExtended strand (participates in β ladder)trans-84.6133.2-169.7-66.8-92000112.7L169 T171 F241L169-H179 HydrophobicContact CB-CB 4.21Å; L169-H179 HydrophobicContact CD2-CB 4.43Å; L169-H179 HydrophobicContact CG-CB 4.43Å; L169-H179 PolarHBondContact O-N 3.21Å; T171-H179 WeakPolarHBondContact CG2-NE2 3.24Å; T171-H179 PolarHBondContact OG1-NE2 2.84Å; H179-F241 WeakPolarHBondContact O-CD1 3.06Å
180E94.3Very high92.6Very high14 Ų1442 Ų427%0.06524%0.238CC..  trans-87.5107.3177.8-168.3179.9150.300110.8T182 A183 R188 K240 F241E180-T182 VanDerWaalsContact C-N 3.32Å; E180-T182 PolarHBondContact O-N 3.35Å; E180-T182 PolarHBondContact OE1-OG1 3.32Å; E180-A183 HydrophobicContact CG-CB 4.46Å; E180-R188 HydrophobicContact CB-CB 4.24Å; E180-R188 WeakPolarHBondContact CB-O 3.37Å; E180-R188 PolarHBondContact N-O 3.13Å; E180-R188 IonicContact OE1-CZ 3.5Å; E180-R188 IonicContact OE1-NH2 2.65Å; E180-R188 PolarHBondContact OE1-NH2 3.24Å; E180-R188 IonicContact OE2-CZ 3.9Å; E180-R188 IonicContact OE2-NE 3.99Å; E180-R188 IonicContact OE2-NH1 3.86Å; E180-R188 IonicContact OE2-NH2 3.02Å; E180-R188 PolarHBondContact OE2-NH2 2.9Å; E180-K240 CarbonylContact C-O 3.52Å; E180-K240 WeakPolarHBondContact CA-O 3.26Å; E180-K240 HydrophobicContact CG-CB 3.68Å; E180-K240 HydrophobicContact CG-CD 4.1Å; E180-K240 HydrophobicContact CG-CG 3.92Å; E180-K240 WeakPolarHBondContact CG-O 3.25Å; E180-F241 HydrophobicContact CB-CD1 4.44Å; E180-F241 HydrophobicContact CB-CE1 4.35Å
181L93.1Very high92.5Very high7 Ų746.2 Ų46.24%0.03726%0.264CS..THydrogen-bonded Turntrans-79.7-12.3-174.7-58.7-176.7000114V167 K240 Q243 C248 M252 I255V167-L181 HydrophobicContact CG2-CD1 4.22Å; V167-L181 WeakPolarHBondContact O-CD1 3.42Å; L181-K240 PolarHBondContact N-O 3.13Å; L181-Q243 HydrophobicContact CB-CB 4.44Å; L181-Q243 HydrophobicContact CB-CG 4.16Å; L181-Q243 HydrophobicContact CD1-CB 4.44Å; L181-C248 HydrophobicContact CB-CB 4.05Å; L181-C248 HydrophobicContact CD1-CB 4.46Å; L181-M252 HydrophobicContact CD1-SD 4.16Å; L181-M252 HydrophobicContact CD2-SD 3.67Å; L181-I255 HydrophobicContact CD2-CD1 3.92Å
182T87.5Confident92.4Very high61 Ų6147.2 Ų47.237%0.37427%0.268SS..THydrogen-bonded Turntrans-97.42.5178.757.60000113.6E180 K240 Q243E180-T182 VanDerWaalsContact C-N 3.32Å; E180-T182 PolarHBondContact O-N 3.35Å; E180-T182 PolarHBondContact OE1-OG1 3.32Å; T182-K240 WeakPolarHBondContact OG1-CB 3.4Å; T182-Q243 VanDerWaalsContact CG2-CD 3.41Å; T182-Q243 HydrophobicContact CG2-CG 3.55Å
183A83.5Confident92.4Very high19 Ų1953.7 Ų53.716%0.15730%0.296CS..  trans-68.2137.1178.400000110.3E180 M186 R188E180-A183 HydrophobicContact CG-CB 4.46Å; A183-M186 VanDerWaalsContact CB-O 3.28Å; A183-M186 WeakPolarHBondContact CB-O 3.39Å; A183-R188 HydrophobicContact CB-CB 4.33Å; A183-R188 HydrophobicContact CB-CG 4.33Å
184Q81.2Confident92.4Very high184 Ų18453.4 Ų53.486%0.8630%0.295SS*.SBendtrans-112.8135177.4-68-173-23.900109.5M186Q184-M186 PolarHBondContact O-N 3.3Å
185G82.1Confident92.4Very high94 Ų9452.4 Ų52.497%0.96930%0.298SS*.SBendtrans77.7-8175.400000116
186M84.5Confident92.3Very high125 Ų12556.7 Ų56.762%0.61632%0.316SS*.SBendtrans-159.4146.8171.261.9178.4-58.800110.9A183 Q184 R188A183-M186 VanDerWaalsContact CB-O 3.28Å; A183-M186 WeakPolarHBondContact CB-O 3.39Å; Q184-M186 PolarHBondContact O-N 3.3Å; M186-R188 HydrophobicContact CE-CG 3.99Å; M186-R188 HydrophobicContact CG-CG 4.08Å; M186-R188 HydrophobicContact SD-CG 4.24Å
187A86.8Confident92.2Very high44 Ų4461.2 Ų61.236%0.36434%0.337SS..  trans-70.9137.2167.400000110.5I255A187-I255 HydrophobicContact CB-CG1 4.28Å
188R90.7Very high92.1Very high58 Ų5858.9 Ų58.922%0.21933%0.327CS..  trans-132.2140.6176.3-68-172.7-67.8163.53110E180 A183 M186 I211E180-R188 HydrophobicContact CB-CB 4.24Å; E180-R188 WeakPolarHBondContact CB-O 3.37Å; E180-R188 PolarHBondContact N-O 3.13Å; E180-R188 IonicContact OE1-CZ 3.5Å; E180-R188 IonicContact OE1-NH2 2.65Å; E180-R188 PolarHBondContact OE1-NH2 3.24Å; E180-R188 IonicContact OE2-CZ 3.9Å; E180-R188 IonicContact OE2-NE 3.99Å; E180-R188 IonicContact OE2-NH1 3.86Å; E180-R188 IonicContact OE2-NH2 3.02Å; E180-R188 PolarHBondContact OE2-NH2 2.9Å; A183-R188 HydrophobicContact CB-CB 4.33Å; A183-R188 HydrophobicContact CB-CG 4.33Å; M186-R188 HydrophobicContact CE-CG 3.99Å; M186-R188 HydrophobicContact CG-CG 4.08Å; M186-R188 HydrophobicContact SD-CG 4.24Å; R188-I211 PolarHBondContact NH1-O 3.21Å
189A93.2Very high92.1Very high35 Ų3562.2 Ų62.229%0.28935%0.347SS..EExtended strand (participates in β ladder)trans-140149.817400000111.5Q177 V178Q177-A189 HydrophobicContact CB-CB 4.15Å; V178-A189 CarbonylContact O-C 3.59Å; V178-A189 WeakPolarHBondContact O-CA 3.39Å
190Y94.7Very high92Very high25 Ų2565.6 Ų65.610%0.09836%0.363CS..EExtended strand (participates in β ladder)trans-96.4127.3172.4-74.5-108.5000109.3Q177 V178 V206 A209 I211 K240 F241Q177-Y190 CarbonylContact C-O 3.53Å; Q177-Y190 WeakPolarHBondContact CA-O 3.32Å; V178-Y190 PolarHBondContact N-O 3.01Å; V178-Y190 PolarHBondContact O-N 3.25Å; Y190-V206 HydrophobicContact CD1-CB 4.22Å; Y190-V206 HydrophobicContact CD1-CG1 3.41Å; Y190-V206 VanDerWaalsContact CD1-CG1 3.41Å; Y190-V206 HydrophobicContact CD1-CG2 3.93Å; Y190-V206 HydrophobicContact CD2-CG1 4.24Å; Y190-V206 HydrophobicContact CE1-CB 4.41Å; Y190-V206 HydrophobicContact CE1-CG1 3.74Å; Y190-V206 HydrophobicContact CE1-CG2 4.35Å; Y190-V206 HydrophobicContact CG-CG1 3.66Å; Y190-A209 HydrophobicContact CE1-CB 4.36Å; Y190-A209 PolarHBondContact OH-O 3.2Å; Y190-I211 HydrophobicContact CD1-CD1 4.31Å; Y190-I211 HydrophobicContact CE1-CD1 3.46Å; Y190-I211 VanDerWaalsContact CE1-CD1 3.46Å; Y190-I211 HydrophobicContact CE1-CG1 4.22Å; Y190-I211 HydrophobicContact CE2-CD1 3.94Å; Y190-I211 WeakPolarHBondContact OH-CD1 3.03Å; Y190-I211 WeakPolarHBondContact OH-CG1 3.5Å; Y190-K240 PolarHBondContact OH-NZ 3.43Å; Y190-F241 AromaticContact CD2-CE1 3.47Å; Y190-F241 HydrophobicContact CD2-CE1 3.47Å; Y190-F241 VanDerWaalsContact CD2-CE1 3.47Å; Y190-F241 AromaticContact CD2-CZ 3.44Å; Y190-F241 HydrophobicContact CD2-CZ 3.44Å; Y190-F241 VanDerWaalsContact CD2-CZ 3.44Å; Y190-F241 AromaticContact CE2-CE1 3.82Å; Y190-F241 HydrophobicContact CE2-CE1 3.82Å; Y190-F241 AromaticContact CE2-CZ 3.62Å; Y190-F241 HydrophobicContact CE2-CZ 3.62Å; Y190-F241 HydrophobicContact CG-CE1 4.36Å; Y190-F241 HydrophobicContact CG-CZ 4.06Å
191V96.1Very high92.1Very high90 Ų9071.6 Ų71.655%0.54539%0.389SS..EExtended strand (participates in β ladder)trans-104122.2-173.8-1720000110.8M175 V176 Q177M175-V191 HydrophobicContact CB-CG1 3.74Å; M175-V191 HydrophobicContact CG-CG1 4.2Å; V176-V191 CarbonylContact O-C 3.04Å; V176-V191 VanDerWaalsContact O-CA 3.31Å; V176-V191 WeakPolarHBondContact O-CA 3.45Å; Q177-V191 HydrophobicContact CG-CG2 4.27Å
192F97.3Very high92.1Very high25 Ų2575.3 Ų75.311%0.1141%0.406CS..EExtended strand (participates in β ladder)trans-105.9145.3172.6-60.4-89.9000110.6V176 V178 G194 V198 I203 V206 V282V176-F192 HydrophobicContact CB-CB 4.34Å; V176-F192 PolarHBondContact N-O 3.4Å; V176-F192 PolarHBondContact O-N 2.92Å; V178-F192 HydrophobicContact CG2-CD2 4.03Å; V178-F192 HydrophobicContact CG2-CE2 3.7Å; F192-G194 PolarHBondContact O-N 3.45Å; F192-V198 HydrophobicContact CB-CG2 4.06Å; F192-V198 HydrophobicContact CD1-CB 4.44Å; F192-V198 HydrophobicContact CD1-CG1 4.01Å; F192-V198 HydrophobicContact CD1-CG2 3.51Å; F192-V198 HydrophobicContact CE1-CG1 3.76Å; F192-V198 HydrophobicContact CE1-CG2 4.15Å; F192-V198 HydrophobicContact CG-CG2 3.92Å; F192-V198 HydrophobicContact CZ-CG1 4.46Å; F192-I203 HydrophobicContact CE1-CD1 4.33Å; F192-I203 HydrophobicContact CE2-CD1 4.34Å; F192-I203 HydrophobicContact CZ-CD1 3.77Å; F192-V206 HydrophobicContact CE1-CG2 4.25Å; F192-V206 HydrophobicContact CZ-CB 4.43Å; F192-V206 HydrophobicContact CZ-CG1 4.38Å; F192-V206 HydrophobicContact CZ-CG2 3.9Å; F192-V282 HydrophobicContact CB-CG2 4.35Å; F192-V282 HydrophobicContact CD2-CG1 4.31Å; F192-V282 HydrophobicContact CD2-CG2 4.22Å; F192-V282 HydrophobicContact CE2-CG1 4.32Å; F192-V282 HydrophobicContact CG-CG2 4.25Å
193K97Very high92.4Very high135 Ų13572.6 Ų72.659%0.58739%0.389SS*.EExtended strand (participates in β ladder)trans-70.3124.7176.6-69.5-174.1177.2-176.10110.1M175 T195 K196M175-K193 HydrophobicContact SD-CG 4.5Å; K193-T195 PolarHBondContact O-N 3.07Å; K193-K196 PolarHBondContact O-N 3.14Å
194G96.9Very high92.9Very high1 Ų176.2 Ų76.21%0.0140%0.403CS..THydrogen-bonded Turntrans-66.2-5178.100000115.5R174 F192 C275 A278 G309R174-G194 WeakPolarHBondContact O-CA 3.29Å; R174-G194 PolarHBondContact O-N 3.43Å; F192-G194 PolarHBondContact O-N 3.45Å; G194-C275 VanDerWaalsContact CA-SG 3.59Å; G194-A278 WeakPolarHBondContact O-CB 3.37Å; G194-G309 WeakPolarHBondContact O-CA 3.42Å
195T96.6Very high93.4Very high62 Ų6271.8 Ų71.838%0.3839%0.385SS..THydrogen-bonded Turntrans-87.8-7177.252.90000114.6K193 Y308K193-T195 PolarHBondContact O-N 3.07Å; T195-Y308 HydrophobicContact CG2-CD1 4.18Å; T195-Y308 HydrophobicContact CG2-CE1 3.31Å; T195-Y308 HydrophobicContact CG2-CE2 3.92Å; T195-Y308 WeakPolarHBondContact CG2-OH 3.47Å
196K94.9Very high93.8Very high135 Ų13568.5 Ų68.559%0.58735%0.346SS*.SBendtrans-130.9149.7-171.4-61.9-171.6178.4-169.50111K193K193-K196 PolarHBondContact O-N 3.14Å
197E95.7Very high93.9Very high97 Ų9764.5 Ų64.545%0.45333%0.327SS..PPolyproline II helixtrans-77.8143.8164.6-62.5-179.8-125.600109.9P310 F342E197-P310 HydrophobicContact CG-CB 4.15Å; E197-P310 HydrophobicContact CG-CG 3.68Å; E197-F342 HydrophobicContact CG-CE2 3.98Å
198V95.6Very high93.9Very high9 Ų966.1 Ų66.16%0.05534%0.34CS..PPolyproline II helixtrans-100131.9178.6-179.60000109.2F192 Q202 I203 N281 V282F192-V198 HydrophobicContact CB-CG2 4.06Å; F192-V198 HydrophobicContact CD1-CB 4.44Å; F192-V198 HydrophobicContact CD1-CG1 4.01Å; F192-V198 HydrophobicContact CD1-CG2 3.51Å; F192-V198 HydrophobicContact CE1-CG1 3.76Å; F192-V198 HydrophobicContact CE1-CG2 4.15Å; F192-V198 HydrophobicContact CG-CG2 3.92Å; F192-V198 HydrophobicContact CZ-CG1 4.46Å; V198-Q202 HydrophobicContact CG1-CB 3.83Å; V198-I203 HydrophobicContact CG1-CD1 3.74Å; V198-I203 HydrophobicContact CG1-CG1 3.83Å; V198-N281 PolarHBondContact N-OD1 2.91Å; V198-N281 PolarHBondContact O-OD1 3.19Å; V198-V282 HydrophobicContact CB-CG2 4.02Å; V198-V282 HydrophobicContact CG2-CG2 3.58Å
199T96.2Very high93.4Very high75 Ų7565.1 Ų65.146%0.4635%0.345SS..PPolyproline II helixtrans-86158178.663.30000111.7K201 Q202 I203T199-K201 PolarHBondContact O-N 3.46Å; T199-Q202 PolarHBondContact O-N 3.15Å; T199-Q202 VanDerWaalsContact O-N 3.09Å; T199-Q202 WeakPolarHBondContact OG1-CG 3.47Å; T199-Q202 PolarHBondContact OG1-N 3.47Å; T199-Q202 PolarHBondContact OG1-OE1 3.38Å; T199-I203 PolarHBondContact O-N 3.18Å
200Q95Very high92Very high83 Ų8367.5 Ų67.539%0.38836%0.359SS..Hα-helixtrans-54.9-40.2174.3-68.51799.600112.3Q202 I203 Q204 T285 E288 V289Q200-Q202 VanDerWaalsContact C-N 3.34Å; Q200-Q202 PolarHBondContact O-N 2.99Å; Q200-I203 PolarHBondContact O-N 2.86Å; Q200-Q204 VanDerWaalsContact O-CG 3.31Å; Q200-Q204 WeakPolarHBondContact O-CG 3.3Å; Q200-Q204 PolarHBondContact O-N 3.28Å; Q200-T285 HydrophobicContact CB-CG2 4.31Å; Q200-T285 HydrophobicContact CG-CG2 3.85Å; Q200-E288 PolarHBondContact NE2-OE1 2.91Å; Q200-E288 PolarHBondContact NE2-OE2 3.46Å; Q200-E288 VanDerWaalsContact NE2-OE2 3.11Å; Q200-V289 HydrophobicContact CB-CG2 3.83Å; Q200-V289 HydrophobicContact CG-CG2 3.97Å
201K95.1Very high90.2Very high140 Ų14070.6 Ų70.661%0.60938%0.376SS*.Hα-helixtrans-59.4-44.3177-175.9178.4179.1-179.80111.9T199 I203 Q204 D205T199-K201 PolarHBondContact O-N 3.46Å; K201-I203 VanDerWaalsContact C-N 3.33Å; K201-I203 PolarHBondContact O-N 3.4Å; K201-Q204 WeakPolarHBondContact O-CB 3.38Å; K201-Q204 PolarHBondContact O-N 3.26Å; K201-D205 WeakPolarHBondContact O-CB 3.39Å; K201-D205 PolarHBondContact O-N 3.26Å
202Q94.4Very high88Confident84 Ų8470.1 Ų70.139%0.39339%0.39SS..Hα-helixtrans-63.4-39.3178.2-71.9167.8-72.900112V198 T199 Q200 V206V198-Q202 HydrophobicContact CG1-CB 3.83Å; T199-Q202 PolarHBondContact O-N 3.15Å; T199-Q202 VanDerWaalsContact O-N 3.09Å; T199-Q202 WeakPolarHBondContact OG1-CG 3.47Å; T199-Q202 PolarHBondContact OG1-N 3.47Å; T199-Q202 PolarHBondContact OG1-OE1 3.38Å; Q200-Q202 VanDerWaalsContact C-N 3.34Å; Q200-Q202 PolarHBondContact O-N 2.99Å; Q202-V206 WeakPolarHBondContact O-CB 3.39Å; Q202-V206 VanDerWaalsContact O-CG2 3.3Å; Q202-V206 WeakPolarHBondContact O-CG2 3.29Å; Q202-V206 PolarHBondContact O-N 3.42Å
203I94.1Very high85.7Confident4 Ų478 Ų782%0.02142%0.419CS..Hα-helixtrans-64.9-43.1173.3-66.7-57.5000111.1F192 V198 T199 Q200 K201 V206 L207 V282 T285 L286 V289F192-I203 HydrophobicContact CE1-CD1 4.33Å; F192-I203 HydrophobicContact CE2-CD1 4.34Å; F192-I203 HydrophobicContact CZ-CD1 3.77Å; V198-I203 HydrophobicContact CG1-CD1 3.74Å; V198-I203 HydrophobicContact CG1-CG1 3.83Å; T199-I203 PolarHBondContact O-N 3.18Å; Q200-I203 PolarHBondContact O-N 2.86Å; K201-I203 VanDerWaalsContact C-N 3.33Å; K201-I203 PolarHBondContact O-N 3.4Å; I203-V206 CarbonylContact O-C 3.17Å; I203-V206 PolarHBondContact O-N 3.19Å; I203-L207 HydrophobicContact CG2-CD1 3.8Å; I203-L207 HydrophobicContact CG2-CG 4.28Å; I203-L207 WeakPolarHBondContact O-CB 3.23Å; I203-L207 VanDerWaalsContact O-CG 3.28Å; I203-L207 WeakPolarHBondContact O-CG 3.41Å; I203-L207 PolarHBondContact O-N 3.04Å; I203-V282 HydrophobicContact CD1-CG1 4.34Å; I203-T285 HydrophobicContact CB-CG2 4.28Å; I203-T285 HydrophobicContact CG1-CG2 3.61Å; I203-L286 HydrophobicContact CG2-CD1 4Å; I203-V289 HydrophobicContact CB-CG2 4.39Å; I203-V289 HydrophobicContact CG2-CB 4.12Å; I203-V289 HydrophobicContact CG2-CG1 4.3Å; I203-V289 HydrophobicContact CG2-CG2 4.16Å
204Q92.4Very high82.8Confident96 Ų9676.8 Ų76.845%0.44943%0.425SS..Hα-helixtrans-60.8-44.5176.5-72.2169.6-18.300112.2Q200 K201 V206 L207 A208 V289Q200-Q204 VanDerWaalsContact O-CG 3.31Å; Q200-Q204 WeakPolarHBondContact O-CG 3.3Å; Q200-Q204 PolarHBondContact O-N 3.28Å; K201-Q204 WeakPolarHBondContact O-CB 3.38Å; K201-Q204 PolarHBondContact O-N 3.26Å; Q204-V206 VanDerWaalsContact C-N 3.31Å; Q204-V206 PolarHBondContact O-N 2.87Å; Q204-L207 PolarHBondContact O-N 3Å; Q204-A208 WeakPolarHBondContact O-CB 3.24Å; Q204-A208 PolarHBondContact O-N 3.13Å; Q204-V289 HydrophobicContact CG-CG1 3.55Å; Q204-V289 HydrophobicContact CG-CG2 4.27Å
205D91.8Very high80.1Confident90 Ų9082.8 Ų82.848%0.48146%0.464SS..Hα-helixtrans-61.1-42.4176-66.8-22.7000110.5K201 A208 A209K201-D205 WeakPolarHBondContact O-CB 3.39Å; K201-D205 PolarHBondContact O-N 3.26Å; D205-A208 PolarHBondContact O-N 3.47Å; D205-A209 WeakPolarHBondContact O-CB 3.44Å; D205-A209 PolarHBondContact O-N 3.06Å
206V90.4Very high77.3Confident26 Ų2687.7 Ų87.716%0.15849%0.487CS..Hα-helixtrans-66.3-39.3175.9164.20000111.9Y190 F192 Q202 I203 Q204 A209 K240 F241Y190-V206 HydrophobicContact CD1-CB 4.22Å; Y190-V206 HydrophobicContact CD1-CG1 3.41Å; Y190-V206 VanDerWaalsContact CD1-CG1 3.41Å; Y190-V206 HydrophobicContact CD1-CG2 3.93Å; Y190-V206 HydrophobicContact CD2-CG1 4.24Å; Y190-V206 HydrophobicContact CE1-CB 4.41Å; Y190-V206 HydrophobicContact CE1-CG1 3.74Å; Y190-V206 HydrophobicContact CE1-CG2 4.35Å; Y190-V206 HydrophobicContact CG-CG1 3.66Å; F192-V206 HydrophobicContact CE1-CG2 4.25Å; F192-V206 HydrophobicContact CZ-CB 4.43Å; F192-V206 HydrophobicContact CZ-CG1 4.38Å; F192-V206 HydrophobicContact CZ-CG2 3.9Å; Q202-V206 WeakPolarHBondContact O-CB 3.39Å; Q202-V206 VanDerWaalsContact O-CG2 3.3Å; Q202-V206 WeakPolarHBondContact O-CG2 3.29Å; Q202-V206 PolarHBondContact O-N 3.42Å; I203-V206 CarbonylContact O-C 3.17Å; I203-V206 PolarHBondContact O-N 3.19Å; Q204-V206 VanDerWaalsContact C-N 3.31Å; Q204-V206 PolarHBondContact O-N 2.87Å; V206-A209 PolarHBondContact O-N 3.38Å; V206-K240 VanDerWaalsContact O-CE 3.28Å; V206-K240 WeakPolarHBondContact O-CE 3.27Å; V206-K240 PolarHBondContact O-NZ 3.14Å; V206-F241 HydrophobicContact CG1-CE2 3.73Å; V206-F241 HydrophobicContact CG1-CZ 3.54Å
207L87.7Confident74.6Confident41 Ų4184.9 Ų84.922%0.21549%0.489CS..Hα-helixtrans-63.5-42.4174.7-74.2163.3000111.6I203 Q204 N239 F241 L286 V289 C290I203-L207 HydrophobicContact CG2-CD1 3.8Å; I203-L207 HydrophobicContact CG2-CG 4.28Å; I203-L207 WeakPolarHBondContact O-CB 3.23Å; I203-L207 VanDerWaalsContact O-CG 3.28Å; I203-L207 WeakPolarHBondContact O-CG 3.41Å; I203-L207 PolarHBondContact O-N 3.04Å; Q204-L207 PolarHBondContact O-N 3Å; L207-N239 HydrophobicContact CD2-CB 3.87Å; L207-F241 HydrophobicContact CD2-CD2 3.58Å; L207-F241 HydrophobicContact CD2-CE2 3.84Å; L207-F241 HydrophobicContact CG-CD2 4.5Å; L207-F241 HydrophobicContact CG-CE2 4.37Å; L207-L286 HydrophobicContact CD2-CD1 4.38Å; L207-V289 HydrophobicContact CD1-CG1 3.6Å; L207-C290 WeakPolarHBondContact CD1-SG 3.47Å
208A85.7Confident71.8Confident78 Ų7886.2 Ų86.265%0.64551%0.506SS*.Hα-helixtrans-73.7-26.9179.200000113.4Q204 D205 S210Q204-A208 WeakPolarHBondContact O-CB 3.24Å; Q204-A208 PolarHBondContact O-N 3.13Å; D205-A208 PolarHBondContact O-N 3.47Å; A208-S210 PolarHBondContact O-N 3.41Å
209A80.2Confident68.9Low37 Ų3793.4 Ų93.431%0.30654%0.543SS..  trans-59.5120.9179.700000111.1Y190 D205 V206 K240Y190-A209 HydrophobicContact CE1-CB 4.36Å; Y190-A209 PolarHBondContact OH-O 3.2Å; D205-A209 WeakPolarHBondContact O-CB 3.44Å; D205-A209 PolarHBondContact O-N 3.06Å; V206-A209 PolarHBondContact O-N 3.38Å; A209-K240 PolarHBondContact O-NZ 2.76Å
210S64.7Low66Low85 Ų8597.1 Ų97.159%0.59456%0.56SS**  trans-99.783.1169.8-68.10000108.9A208 G212 R213A208-S210 PolarHBondContact O-N 3.41Å; S210-G212 PolarHBondContact O-N 3.26Å; S210-R213 PolarHBondContact O-N 2.95Å
211I56Low63.2Low89 Ų89102 Ų10246%0.45658%0.583SS.*THydrogen-bonded Turntrans-61.9121.9175.4-68.1177.1000108.6R188 Y190 R213R188-I211 PolarHBondContact NH1-O 3.21Å; Y190-I211 HydrophobicContact CD1-CD1 4.31Å; Y190-I211 HydrophobicContact CE1-CD1 3.46Å; Y190-I211 VanDerWaalsContact CE1-CD1 3.46Å; Y190-I211 HydrophobicContact CE1-CG1 4.22Å; Y190-I211 HydrophobicContact CE2-CD1 3.94Å; Y190-I211 WeakPolarHBondContact OH-CD1 3.03Å; Y190-I211 WeakPolarHBondContact OH-CG1 3.5Å; I211-R213 PolarHBondContact O-N 2.71Å
212G51.1Low60.3Low81 Ų81102.7 Ų102.784%0.83559%0.593SS**THydrogen-bonded Turntrans80.54.7172.400000116.3S210S210-G212 PolarHBondContact O-N 3.26Å
213R47.8Very low57.6Low190 Ų190105.6 Ų105.672%0.71762%0.616SS**SBendtrans-107.7135.4166.5-67-175.7-180-177.30.8109.2S210 I211S210-R213 PolarHBondContact O-N 2.95Å; I211-R213 PolarHBondContact O-N 2.71Å
214P35.9Very low54.9Low110 Ų110113.9 Ų113.971%0.71466%0.655SS**PPolyproline II helixtrans-56.6146.4174.922.2-30.3000109.6L216P214-L216 PolarHBondContact O-N 2.82Å
215P40.1Very low52.1Low127 Ų127114.9 Ų114.983%0.82567%0.673SS**PPolyproline II helixtrans-54.6120.5176.4-16.427.3000108.1A217P215-A217 PolarHBondContact O-N 3.45Å; P215-A217 VanDerWaalsContact O-N 3.08Å
216L38.4Very low49.6Very low164 Ų164119.2 Ų119.286%0.85969%0.69SS**PPolyproline II helixtrans-59.6118.4165.1-80.2159.4000105.9P214P214-L216 PolarHBondContact O-N 2.82Å
217A38.3Very low46.9Very low77 Ų77127 Ų12764%0.63673%0.725SS**PPolyproline II helixtrans-49.7139.5171.600000108.4P215 L219P215-A217 PolarHBondContact O-N 3.45Å; P215-A217 VanDerWaalsContact O-N 3.08Å; A217-L219 PolarHBondContact O-N 2.77Å
218P37.7Very low44.4Very low125 Ų125133.3 Ų133.381%0.81275%0.753SS**  trans-53.9112.4-177.420-30.6000109.2N220P218-N220 PolarHBondContact O-N 2.78Å
219L33.8Very low41.8Very low160 Ų160139.6 Ų139.684%0.83877%0.769SS**  trans-65.3108.6169.7-117.3101.2000106.1A217 Q221A217-L219 PolarHBondContact O-N 2.77Å; L219-Q221 PolarHBondContact O-N 2.75Å
220N35.9Very low39.6Very low153 Ų153141.8 Ų141.882%0.81878%0.782SS**  trans-50.4114.4169.1-101-17.8000108.7P218 N222P218-N220 PolarHBondContact O-N 2.78Å; N220-N222 PolarHBondContact O-N 3.39Å
221Q35.6Very low38.2Very low186 Ų186146.2 Ų146.287%0.86980%0.798SS**  trans-62.1101.8167.8-75.1176.1-15.400108.3L219L219-Q221 PolarHBondContact O-N 2.75Å
222N34.4Very low37Very low153 Ų153148.9 Ų148.982%0.81881%0.813SS**  trans-147.180.4157.7-92.8-20.5000107.1N220N220-N222 PolarHBondContact O-N 3.39Å
223V37Very low36.5Very low145 Ų145150.5 Ų150.588%0.87981%0.807SS**  trans-123.8107.6160.8-174.30000107.2
224Q38.5Very low36.5Very low179 Ų179145.3 Ų145.384%0.83680%0.8SS**  trans-53.4140.9173.8-71.6163.4-29.200110.7Q226Q224-Q226 PolarHBondContact O-N 2.92Å; Q224-Q226 VanDerWaalsContact O-N 3.15Å
225S34Very low37.3Very low117 Ų117149.6 Ų149.682%0.81881%0.807SS**  trans-48.1110.2167.150.30000112.2
226Q39.1Very low38.3Very low181 Ų181145.4 Ų145.485%0.84678%0.783SS**  trans-115.2109149.7-82.5-173.1-3.700108.2Q224 Q228Q224-Q226 PolarHBondContact O-N 2.92Å; Q224-Q226 VanDerWaalsContact O-N 3.15Å; Q226-Q228 PolarHBondContact O-N 3.08Å
227Q33.6Very low39.7Very low190 Ų190140.7 Ų140.789%0.88876%0.762SS**  trans-66.6104.7168.4-74.1170.9-800108.4
228Q35.4Very low41.1Very low173 Ų173141 Ų14181%0.80876%0.76SS**  trans-122.1110.3152.2-87.7-178.8-3.900107.7Q226 S230Q226-Q228 PolarHBondContact O-N 3.08Å; Q228-S230 VanDerWaalsContact C-N 3.29Å; Q228-S230 PolarHBondContact O-N 2.89Å
229Q31.1Very low43.4Very low209 Ų209136.1 Ų136.198%0.97773%0.727SS**  trans-68.786170.8-75.8171.3-17.300108.7
230S34Very low46Very low83 Ų83129.8 Ų129.858%0.5869%0.693SS**  trans-101130.615658.50000107.9Q228 N232Q228-S230 VanDerWaalsContact C-N 3.29Å; Q228-S230 PolarHBondContact O-N 2.89Å; S230-N232 PolarHBondContact O-N 3.08Å
231L34.9Very low48.8Very low178 Ų178122.7 Ų122.793%0.93266%0.655SS**  trans-51101.3175.4-72.6126.9000109.7V233L231-V233 PolarHBondContact O-N 2.81Å
232N31Very low51.6Low145 Ų145113.9 Ų113.978%0.77561%0.614SS**  trans-70.796.6179.1-84.1-17.9000108.6S230 S234S230-N232 PolarHBondContact O-N 3.08Å; N232-S234 VanDerWaalsContact C-N 3.31Å; N232-S234 PolarHBondContact O-N 2.81Å
233V40.5Very low54.5Low116 Ų116107 Ų10770%0.70358%0.577SS**  trans-60.3104.4151.4-176.80000104.9L231 K235L231-V233 PolarHBondContact O-N 2.81Å; V233-K235 PolarHBondContact O-N 2.82Å
234S47.8Very low57.1Low81 Ų81101.2 Ų101.257%0.56654%0.542SS*.  trans-55.5102.5179.335.40000108.9N232 A236N232-S234 VanDerWaalsContact C-N 3.31Å; N232-S234 PolarHBondContact O-N 2.81Å; S234-A236 PolarHBondContact O-N 2.89Å
235K53Low59.7Low199 Ų19993 Ų9387%0.86550%0.503SS*.  trans-52.1127.1171.2-85-176174.9-179.70107.6V233V233-K235 PolarHBondContact O-N 2.82Å
236A60.6Low62.5Low39 Ų3992.1 Ų92.132%0.32249%0.486SS..  trans-51136.2175.300000109.5L130 S234 S238 Y291L130-A236 HydrophobicContact CD2-CB 3.94Å; S234-A236 PolarHBondContact O-N 2.89Å; A236-S238 VanDerWaalsContact C-N 3.33Å; A236-S238 PolarHBondContact O-N 2.89Å; A236-Y291 HydrophobicContact CB-CE1 4.41Å
237P66.4Low65Low65 Ų6589.2 Ų89.242%0.42247%0.473SS..  trans-63.994.417524.9-32.2000109.8N239 C290 Y291P237-N239 PolarHBondContact O-N 3.09Å; P237-C290 VanDerWaalsContact CG-O 3.29Å; P237-C290 WeakPolarHBondContact CG-O 3.18Å; P237-Y291 HydrophobicContact CG-CD1 4.09Å; P237-Y291 HydrophobicContact CG-CE1 3.72Å; P237-Y291 PolarHBondContact O-OH 3.43Å
238S68.9Low67.8Low85 Ų8580.3 Ų80.359%0.59443%0.432SS*.  trans-66.4126.9174.4-177.50000109.3A236 Q243A236-S238 VanDerWaalsContact C-N 3.33Å; A236-S238 PolarHBondContact O-N 2.89Å; S238-Q243 PolarHBondContact OG-NE2 2.6Å
239N85.1Confident70.5Confident22 Ų2275 Ų7512%0.11841%0.407CS..BIsolated β-bridgetrans-137.4155.3172.571.973.8000110.2L207 P237 F241 L242 Q243 C290L207-N239 HydrophobicContact CD2-CB 3.87Å; P237-N239 PolarHBondContact O-N 3.09Å; N239-F241 PolarHBondContact O-N 2.98Å; N239-F241 PolarHBondContact OD1-N 3.22Å; N239-L242 CarbonylContact O-C 3.59Å; N239-L242 PolarHBondContact O-N 2.7Å; N239-L242 VanDerWaalsContact O-N 3.14Å; N239-L242 PolarHBondContact OD1-N 2.9Å; N239-Q243 PolarHBondContact O-NE2 2.8Å; N239-C290 PolarHBondContact ND2-SG 2.94Å
240K89.9Confident73.4Confident26 Ų2671.2 Ų71.211%0.11339%0.391CS..THydrogen-bonded Turntrans-59.6-14.3-172.268.6-173.5168.41800116.3E180 L181 T182 Y190 V206 A209E180-K240 CarbonylContact C-O 3.52Å; E180-K240 WeakPolarHBondContact CA-O 3.26Å; E180-K240 HydrophobicContact CG-CB 3.68Å; E180-K240 HydrophobicContact CG-CD 4.1Å; E180-K240 HydrophobicContact CG-CG 3.92Å; E180-K240 WeakPolarHBondContact CG-O 3.25Å; L181-K240 PolarHBondContact N-O 3.13Å; T182-K240 WeakPolarHBondContact OG1-CB 3.4Å; Y190-K240 PolarHBondContact OH-NZ 3.43Å; V206-K240 VanDerWaalsContact O-CE 3.28Å; V206-K240 WeakPolarHBondContact O-CE 3.27Å; V206-K240 PolarHBondContact O-NZ 3.14Å; A209-K240 PolarHBondContact O-NZ 2.76Å
241F94.5Very high76.2Confident5 Ų568.4 Ų68.42%0.02237%0.372CS..THydrogen-bonded Turntrans-101.7-24.7179.5-53.9-62.3000113.8G168 V178 H179 E180 Y190 V206 L207 N239 L286G168-F241 WeakPolarHBondContact CA-O 3.42Å; V178-F241 HydrophobicContact CG1-CB 4.25Å; V178-F241 HydrophobicContact CG1-CD1 3.67Å; V178-F241 HydrophobicContact CG1-CD2 4.48Å; V178-F241 HydrophobicContact CG1-CE1 4.04Å; V178-F241 HydrophobicContact CG1-CG 3.89Å; H179-F241 WeakPolarHBondContact O-CD1 3.06Å; E180-F241 HydrophobicContact CB-CD1 4.44Å; E180-F241 HydrophobicContact CB-CE1 4.35Å; Y190-F241 AromaticContact CD2-CE1 3.47Å; Y190-F241 HydrophobicContact CD2-CE1 3.47Å; Y190-F241 VanDerWaalsContact CD2-CE1 3.47Å; Y190-F241 AromaticContact CD2-CZ 3.44Å; Y190-F241 HydrophobicContact CD2-CZ 3.44Å; Y190-F241 VanDerWaalsContact CD2-CZ 3.44Å; Y190-F241 AromaticContact CE2-CE1 3.82Å; Y190-F241 HydrophobicContact CE2-CE1 3.82Å; Y190-F241 AromaticContact CE2-CZ 3.62Å; Y190-F241 HydrophobicContact CE2-CZ 3.62Å; Y190-F241 HydrophobicContact CG-CE1 4.36Å; Y190-F241 HydrophobicContact CG-CZ 4.06Å; V206-F241 HydrophobicContact CG1-CE2 3.73Å; V206-F241 HydrophobicContact CG1-CZ 3.54Å; L207-F241 HydrophobicContact CD2-CD2 3.58Å; L207-F241 HydrophobicContact CD2-CE2 3.84Å; L207-F241 HydrophobicContact CG-CD2 4.5Å; L207-F241 HydrophobicContact CG-CE2 4.37Å; N239-F241 PolarHBondContact O-N 2.98Å; N239-F241 PolarHBondContact OD1-N 3.22Å; F241-L286 HydrophobicContact CB-CD2 4.5Å; F241-L286 HydrophobicContact CD2-CD1 4.31Å
242L94.6Very high79Confident0 Ų060 Ų600%033%0.328CS..BIsolated β-bridgetrans-124.7105.3-175.4-60.1172.9000108.6L135 T166 V167 N239 L286 L287 C290 Y291L135-L242 HydrophobicContact CD1-CD2 4.32Å; T166-L242 HydrophobicContact CG2-CB 3.7Å; V167-L242 WeakPolarHBondContact O-CA 2.98Å; N239-L242 CarbonylContact O-C 3.59Å; N239-L242 PolarHBondContact O-N 2.7Å; N239-L242 VanDerWaalsContact O-N 3.14Å; N239-L242 PolarHBondContact OD1-N 2.9Å; L242-L286 HydrophobicContact CD1-CG 4.29Å; L242-L286 HydrophobicContact CD2-CD2 4.47Å; L242-L287 HydrophobicContact CD1-CD2 3.74Å; L242-L287 HydrophobicContact CD2-CD2 4.27Å; L242-C290 HydrophobicContact CD1-CB 3.92Å; L242-Y291 HydrophobicContact CB-CE2 3.95Å; L242-Y291 HydrophobicContact CD1-CD2 3.6Å; L242-Y291 HydrophobicContact CD1-CE2 3.54Å; L242-Y291 HydrophobicContact CG-CE2 4.39Å
243Q93.8Very high81.9Confident10 Ų1054.3 Ų54.35%0.04730%0.299CS..EExtended strand (participates in β ladder)trans-125.9147.6-173.7-71.8-64.2-47.300111.5T166 V167 L181 T182 S238 N239 I245 C248T166-Q243 CarbonylContact C-O 3.52Å; T166-Q243 WeakPolarHBondContact CA-O 3.44Å; V167-Q243 PolarHBondContact N-O 3.34Å; V167-Q243 PolarHBondContact O-N 2.87Å; V167-Q243 VanDerWaalsContact O-N 3.11Å; L181-Q243 HydrophobicContact CB-CB 4.44Å; L181-Q243 HydrophobicContact CB-CG 4.16Å; L181-Q243 HydrophobicContact CD1-CB 4.44Å; T182-Q243 VanDerWaalsContact CG2-CD 3.41Å; T182-Q243 HydrophobicContact CG2-CG 3.55Å; S238-Q243 PolarHBondContact OG-NE2 2.6Å; N239-Q243 PolarHBondContact O-NE2 2.8Å; Q243-I245 PolarHBondContact O-N 2.83Å; Q243-C248 HydrophobicContact CB-CB 3.82Å
244P93.3Very high84.5Confident22 Ų2254.4 Ų54.414%0.14329%0.291CS..EExtended strand (participates in β ladder)trans-57.7134.9169-23.735.3000110.7A165 H246 Q247 C248A165-P244 CarbonylContact O-C 3.58Å; A165-P244 WeakPolarHBondContact O-CA 3.31Å; P244-H246 VanDerWaalsContact CB-CD2 3.49Å; P244-H246 WeakPolarHBondContact CB-CD2 2.84Å; P244-H246 PolarHBondContact O-N 2.85Å; P244-H246 VanDerWaalsContact O-N 3.17Å; P244-Q247 HydrophobicContact CB-CG 4.28Å; P244-Q247 WeakPolarHBondContact O-CB 3.41Å; P244-Q247 PolarHBondContact O-N 2.88Å; P244-C248 PolarHBondContact O-N 2.91Å; P244-C248 PolarHBondContact O-SG 3.3Å
245I92.5Very high86.7Confident6 Ų651 Ų513%0.03127%0.267CS..Hα-helixtrans-57.8-37-173.3-170.2169.9000112.1L158 L161 P162 P163 A165 V167 Q243 Q247 C248 H249L158-I245 HydrophobicContact CB-CD1 4.14Å; L158-I245 HydrophobicContact CD2-CD1 4.02Å; L158-I245 WeakPolarHBondContact O-CD1 3.39Å; L161-I245 HydrophobicContact CB-CD1 3.99Å; L161-I245 HydrophobicContact CD1-CD1 4.22Å; P162-I245 WeakPolarHBondContact O-CG2 3.45Å; P163-I245 VanDerWaalsContact C-CG2 3.46Å; P163-I245 VanDerWaalsContact CA-CG2 3.5Å; P163-I245 WeakPolarHBondContact O-CG2 3.46Å; A165-I245 PolarHBondContact O-N 2.87Å; V167-I245 HydrophobicContact CG1-CB 4.2Å; V167-I245 HydrophobicContact CG1-CD1 4.37Å; V167-I245 HydrophobicContact CG2-CB 4.38Å; Q243-I245 PolarHBondContact O-N 2.83Å; I245-Q247 PolarHBondContact O-N 2.74Å; I245-C248 PolarHBondContact O-N 3.31Å; I245-C248 VanDerWaalsContact O-N 3.16Å; I245-H249 HydrophobicContact CG1-CB 4.23Å; I245-H249 WeakPolarHBondContact O-CA 3.32Å; I245-H249 VanDerWaalsContact O-CB 3.3Å; I245-H249 WeakPolarHBondContact O-CB 3.42Å; I245-H249 PolarHBondContact O-N 2.84Å
246H92.3Very high88.7Confident100 Ų10041.8 Ų41.846%0.46323%0.227SC..Hα-helixtrans-60.9-17.4177.579.289.3000114.1P163 E164 P244P163-H246 HydrophobicContact CB-CB 4.14Å; P163-H246 WeakPolarHBondContact O-CB 3.24Å; P163-H246 PolarHBondContact O-CD2 2.76Å; P163-H246 PolarHBondContact O-N 2.85Å; P163-H246 VanDerWaalsContact O-N 3.1Å; E164-H246 IonicContact OE2-NE2 3.84Å; P244-H246 VanDerWaalsContact CB-CD2 3.49Å; P244-H246 WeakPolarHBondContact CB-CD2 2.84Å; P244-H246 PolarHBondContact O-N 2.85Å; P244-H246 VanDerWaalsContact O-N 3.17Å
247Q92.5Very high90.2Very high119 Ų11945.6 Ų45.656%0.55624%0.238SC*.Hα-helixtrans-98.3-27.7178.7-55.5-17821.300112.8P244 I245P244-Q247 HydrophobicContact CB-CG 4.28Å; P244-Q247 WeakPolarHBondContact O-CB 3.41Å; P244-Q247 PolarHBondContact O-N 2.88Å; I245-Q247 PolarHBondContact O-N 2.74Å
248C92.4Very high91.5Very high4 Ų448.5 Ų48.53%0.02725%0.246CC..Hα-helixtrans-1246.3-17169.70000114.8V167 L181 Q243 P244 I245 M250 A251 M252V167-C248 WeakPolarHBondContact CG2-SG 3.37Å; L181-C248 HydrophobicContact CB-CB 4.05Å; L181-C248 HydrophobicContact CD1-CB 4.46Å; Q243-C248 HydrophobicContact CB-CB 3.82Å; P244-C248 PolarHBondContact O-N 2.91Å; P244-C248 PolarHBondContact O-SG 3.3Å; I245-C248 PolarHBondContact O-N 3.31Å; I245-C248 VanDerWaalsContact O-N 3.16Å; C248-M250 VanDerWaalsContact C-N 3.32Å; C248-M250 PolarHBondContact O-N 3.22Å; C248-A251 PolarHBondContact O-N 3.5Å; C248-M252 WeakPolarHBondContact O-CB 3.29Å; C248-M252 PolarHBondContact O-N 3.46Å
249H92.2Very high92.6Very high62 Ų6245.1 Ų45.129%0.28722%0.222SC..Hα-helixtrans-52.4-48.2-176.9-176.2-69.4000112.4I245 M252 T253I245-H249 HydrophobicContact CG1-CB 4.23Å; I245-H249 WeakPolarHBondContact O-CA 3.32Å; I245-H249 VanDerWaalsContact O-CB 3.3Å; I245-H249 WeakPolarHBondContact O-CB 3.42Å; I245-H249 PolarHBondContact O-N 2.84Å; H249-M252 PolarHBondContact O-N 2.81Å; H249-T253 PolarHBondContact O-N 3.32Å; H249-T253 PolarHBondContact O-OG1 2.95Å; H249-T253 VanDerWaalsContact O-OG1 3.11Å
250M91.6Very high93.1Very high129 Ų12950.3 Ų50.364%0.63525%0.249SC*.Hα-helixtrans-63.4-48.5179.8-66.9-61.8130.200111.9C248 M252 T253 E254C248-M250 VanDerWaalsContact C-N 3.32Å; C248-M250 PolarHBondContact O-N 3.22Å; M250-M252 VanDerWaalsContact C-N 3.29Å; M250-M252 PolarHBondContact O-N 2.8Å; M250-T253 PolarHBondContact O-N 2.83Å; M250-T253 VanDerWaalsContact O-N 3.16Å; M250-E254 WeakPolarHBondContact O-CG 3.17Å; M250-E254 PolarHBondContact O-N 2.54Å
251A92.5Very high93.2Very high23 Ų2351.1 Ų51.119%0.1926%0.258CS..Hα-helixtrans-59.5-39.9177.600000112C248 I255C248-A251 PolarHBondContact O-N 3.5Å; A251-I255 WeakPolarHBondContact O-CB 3.45Å; A251-I255 WeakPolarHBondContact O-CD1 3.38Å; A251-I255 WeakPolarHBondContact O-CG1 3.47Å; A251-I255 PolarHBondContact O-N 3.38Å
252M93.3Very high92.9Very high1 Ų152.1 Ų52.11%0.00526%0.264CS..Hα-helixtrans-63.7-44.8176.5-167.275.8154.600111.6F136 L158 V167 L169 L181 C248 H249 M250 L256F136-M252 HydrophobicContact CD2-CE 3.51Å; F136-M252 HydrophobicContact CE2-CE 3.98Å; F136-M252 HydrophobicContact CG-CE 4.47Å; L158-M252 HydrophobicContact CD1-CB 4.26Å; L158-M252 HydrophobicContact CD1-CG 3.53Å; L158-M252 HydrophobicContact CD2-CE 4.17Å; L158-M252 HydrophobicContact CD2-CG 4.08Å; L158-M252 HydrophobicContact CG-CG 4.48Å; V167-M252 HydrophobicContact CB-CE 4.24Å; V167-M252 HydrophobicContact CG2-CE 4.34Å; L169-M252 HydrophobicContact CB-CE 3.85Å; L169-M252 HydrophobicContact CB-SD 3.81Å; L169-M252 HydrophobicContact CD2-SD 4.28Å; L181-M252 HydrophobicContact CD1-SD 4.16Å; L181-M252 HydrophobicContact CD2-SD 3.67Å; C248-M252 WeakPolarHBondContact O-CB 3.29Å; C248-M252 PolarHBondContact O-N 3.46Å; H249-M252 PolarHBondContact O-N 2.81Å; M250-M252 VanDerWaalsContact C-N 3.29Å; M250-M252 PolarHBondContact O-N 2.8Å; M252-L256 HydrophobicContact CG-CD1 4.37Å; M252-L256 WeakPolarHBondContact O-CB 3.45Å; M252-L256 VanDerWaalsContact O-CG 3.25Å; M252-L256 WeakPolarHBondContact O-CG 3.36Å; M252-L256 PolarHBondContact O-N 3.41Å
253T93.2Very high92.4Very high27 Ų2756.4 Ų56.417%0.16630%0.299CS..Hα-helixtrans-63.2-46.7176.9-61.30000111.5H249 M250 L256 E257H249-T253 PolarHBondContact O-N 3.32Å; H249-T253 PolarHBondContact O-OG1 2.95Å; H249-T253 VanDerWaalsContact O-OG1 3.11Å; M250-T253 PolarHBondContact O-N 2.83Å; M250-T253 VanDerWaalsContact O-N 3.16Å; T253-L256 PolarHBondContact O-N 2.83Å; T253-E257 WeakPolarHBondContact O-CG 3.36Å; T253-E257 PolarHBondContact O-N 2.93Å
254E93.4Very high92.2Very high117 Ų11761.4 Ų61.455%0.54732%0.318SS..Hα-helixtrans-59.2-49.3177.2-72.8171-173.100111.2M250 L256 E257 E258M250-E254 WeakPolarHBondContact O-CG 3.17Å; M250-E254 PolarHBondContact O-N 2.54Å; E254-L256 PolarHBondContact O-N 3.42Å; E254-E257 PolarHBondContact O-N 3.06Å; E254-E257 VanDerWaalsContact O-N 3.16Å; E254-E258 WeakPolarHBondContact O-CG 3.49Å; E254-E258 PolarHBondContact O-N 3.45Å
255I94.3Very high91.7Very high11 Ų1168.3 Ų68.36%0.05635%0.353CS..Hα-helixtrans-60.5-45.8177.6-66.1163.3000110.3L169 L181 A187 A251 E257 E258 V259L169-I255 HydrophobicContact CD2-CB 4.34Å; L169-I255 HydrophobicContact CD2-CG2 3.55Å; L181-I255 HydrophobicContact CD2-CD1 3.92Å; A187-I255 HydrophobicContact CB-CG1 4.28Å; A251-I255 WeakPolarHBondContact O-CB 3.45Å; A251-I255 WeakPolarHBondContact O-CD1 3.38Å; A251-I255 WeakPolarHBondContact O-CG1 3.47Å; A251-I255 PolarHBondContact O-N 3.38Å; I255-E257 VanDerWaalsContact C-N 3.27Å; I255-E257 PolarHBondContact O-N 3.33Å; I255-E258 PolarHBondContact O-N 3.31Å; I255-E258 VanDerWaalsContact O-N 3.12Å; I255-V259 HydrophobicContact CG2-CG2 4.33Å; I255-V259 VanDerWaalsContact O-CG2 3.32Å; I255-V259 WeakPolarHBondContact O-CG2 3.46Å; I255-V259 PolarHBondContact O-N 2.97Å
256L94.7Very high91.4Very high4 Ų470.8 Ų70.82%0.02137%0.369CS..Hα-helixtrans-60.1-37.3177.8-76.6173.4000112.2I138 K151 L154 Q155 L158 L169 M252 T253 E254I138-L256 HydrophobicContact CD1-CD2 3.68Å; K151-L256 WeakPolarHBondContact CD-O 3.15Å; K151-L256 WeakPolarHBondContact CE-O 3.47Å; K151-L256 PolarHBondContact NZ-O 2.87Å; K151-L256 VanDerWaalsContact NZ-O 3.07Å; L154-L256 HydrophobicContact CB-CD1 4.19Å; L154-L256 HydrophobicContact CD1-CD2 4.02Å; Q155-L256 HydrophobicContact CG-CD1 4.43Å; L158-L256 HydrophobicContact CD1-CD1 3.64Å; L169-L256 HydrophobicContact CD1-CD2 4.08Å; L169-L256 HydrophobicContact CD2-CD2 4.09Å; L169-L256 HydrophobicContact CD2-CG 4.39Å; M252-L256 HydrophobicContact CG-CD1 4.37Å; M252-L256 WeakPolarHBondContact O-CB 3.45Å; M252-L256 VanDerWaalsContact O-CG 3.25Å; M252-L256 WeakPolarHBondContact O-CG 3.36Å; M252-L256 PolarHBondContact O-N 3.41Å; T253-L256 PolarHBondContact O-N 2.83Å; E254-L256 PolarHBondContact O-N 3.42Å
257E93.2Very high91.2Very high119 Ų11970.9 Ų70.956%0.55637%0.372SS*.Hα-helixtrans-65.4-39.9174.9-74.1175.4-175.500111.7K151 Q155 T253 E254 I255K151-E257 PolarHBondContact NZ-O 3.38Å; Q155-E257 PolarHBondContact NE2-OE1 2.93Å; T253-E257 WeakPolarHBondContact O-CG 3.36Å; T253-E257 PolarHBondContact O-N 2.93Å; E254-E257 PolarHBondContact O-N 3.06Å; E254-E257 VanDerWaalsContact O-N 3.16Å; I255-E257 VanDerWaalsContact C-N 3.27Å; I255-E257 PolarHBondContact O-N 3.33Å
258E92.8Very high91.1Very high126 Ų12671 Ų7159%0.58938%0.383SS*.Hα-helixtrans-75.3-20.2179.1-69.5-179.6176.300115.2E254 I255 D260E254-E258 WeakPolarHBondContact O-CG 3.49Å; E254-E258 PolarHBondContact O-N 3.45Å; I255-E258 PolarHBondContact O-N 3.31Å; I255-E258 VanDerWaalsContact O-N 3.12Å; E258-D260 PolarHBondContact O-N 3.17Å
259V93.4Very high91.2Very high14 Ų1475 Ų759%0.08541%0.408CS..  trans-63.7109.3-178.7168.30000111.3T140 L147 K151 T171 I255T140-V259 HydrophobicContact CG2-CG1 3.82Å; L147-V259 HydrophobicContact CD2-CG1 4.49Å; L147-V259 WeakPolarHBondContact CD2-O 3.05Å; K151-V259 WeakPolarHBondContact CE-O 3.02Å; K151-V259 PolarHBondContact NZ-O 3.04Å; T171-V259 HydrophobicContact CG2-CG1 3.98Å; T171-V259 HydrophobicContact CG2-CG2 3.78Å; I255-V259 HydrophobicContact CG2-CG2 4.33Å; I255-V259 VanDerWaalsContact O-CG2 3.32Å; I255-V259 WeakPolarHBondContact O-CG2 3.46Å; I255-V259 PolarHBondContact O-N 2.97Å
260D93.7Very high91.4Very high131 Ų13174.4 Ų74.470%0.70141%0.405SS*.  trans-90.5168175.2-78.1-41.7000113.3L147 E258L147-D260 VanDerWaalsContact CD2-C 3.48Å; E258-D260 PolarHBondContact O-N 3.17Å
261C93.5Very high91.6Very high43 Ų4369.8 Ų69.829%0.29138%0.38SS..SBendtrans-56.2157.6169.3-68.80000111T140 V142 A144 A263T140-C261 WeakPolarHBondContact O-CA 3.48Å; V142-C261 PolarHBondContact O-SG 2.72Å; A144-C261 VanDerWaalsContact CA-SG 3.55Å; A144-C261 PolarHBondContact N-SG 2.97Å; C261-A263 PolarHBondContact O-N 3.42Å; C261-A263 VanDerWaalsContact O-N 3.08Å
262N88.3Confident91.8Very high27 Ų2770.5 Ų70.514%0.14438%0.383CS..  trans-40.3116.5172.8168.535.5000112.1T140 C141 D173 W264T140-N262 PolarHBondContact O-N 3.14Å; C141-N262 HydrophobicContact CB-CB 3.86Å; D173-N262 HydrophobicContact CB-CB 4.09Å; N262-W264 VanDerWaalsContact C-N 3.25Å; N262-W264 PolarHBondContact ND2-O 2.81Å; N262-W264 PolarHBondContact O-N 2.85Å; N262-W264 WeakPolarHBondContact OD1-CB 3.44Å; N262-W264 PolarHBondContact OD1-N 2.79Å
263A83.9Confident92Very high90 Ų9072.6 Ų72.674%0.74439%0.394SS*.  trans-75.7-10.6-178.100000113.7C261C261-A263 PolarHBondContact O-N 3.42Å; C261-A263 VanDerWaalsContact O-N 3.08Å
264W89.3Confident92.2Very high114 Ų11471.9 Ų71.943%0.43239%0.388SS..SBendtrans-81.7123.9-178.4-56.1104.4000111.3D173 R174 M175 N262 T266D173-W264 PolarHBondContact OD1-NE1 3.07Å; R174-W264 HydrophobicContact CB-CG 4.5Å; M175-W264 HydrophobicContact CE-CZ2 4.37Å; M175-W264 HydrophobicContact CG-CZ2 4.34Å; N262-W264 VanDerWaalsContact C-N 3.25Å; N262-W264 PolarHBondContact ND2-O 2.81Å; N262-W264 PolarHBondContact O-N 2.85Å; N262-W264 WeakPolarHBondContact OD1-CB 3.44Å; N262-W264 PolarHBondContact OD1-N 2.79Å; W264-T266 PolarHBondContact O-N 2.97Å; W264-T266 VanDerWaalsContact O-N 3.14Å
265N82.4Confident92.4Very high167 Ų16766.3 Ų66.389%0.89336%0.362SS*.PPolyproline II helixtrans-55.7119173.1-74.5-15.4000110.8
266T85.6Confident92.6Very high59 Ų5965.8 Ų65.836%0.36236%0.359SS..PPolyproline II helixtrans-93.6126.8174.1-56.70000108.6W264 H270 P272W264-T266 PolarHBondContact O-N 2.97Å; W264-T266 VanDerWaalsContact O-N 3.14Å; T266-H270 WeakPolarHBondContact CG2-O 3.45Å; T266-P272 HydrophobicContact CG2-CB 4.5Å; T266-P272 HydrophobicContact CG2-CG 4.2Å
267I90.1Very high92.8Very high102 Ų10265.6 Ų65.652%0.52336%0.358SS..PPolyproline II helixtrans-67135.1176.9-57.2170.6000107.7T269 H270I267-T269 PolarHBondContact O-N 2.66Å; I267-H270 HydrophobicContact CB-CB 4.25Å; I267-H270 WeakPolarHBondContact O-CA 3.5Å; I267-H270 PolarHBondContact O-N 3.38Å; I267-H270 VanDerWaalsContact O-O 3.11Å
268P89.8Confident93Very high121 Ų12160 Ų6079%0.78633%0.333SS*.THydrogen-bonded Turntrans-55-27-174-30.135.6000116H270 L318P268-H270 VanDerWaalsContact C-N 3.3Å; P268-L318 WeakPolarHBondContact O-CD1 3.45Å
269T93.6Very high93.3Very high89 Ų8954 Ų5455%0.54630%0.304SS..THydrogen-bonded Turntrans-88.65178.353.90000113.6I267 L318I267-T269 PolarHBondContact O-N 2.66Å; T269-L318 WeakPolarHBondContact O-CB 3.42Å; T269-L318 PolarHBondContact O-N 2.84Å
270H96.2Very high93.5Very high49 Ų4953.3 Ų53.323%0.22730%0.3CS..BIsolated β-bridgetrans-126.9148.2-175.5-66.160.8000110.6T266 I267 P268 D316T266-H270 WeakPolarHBondContact CG2-O 3.45Å; I267-H270 HydrophobicContact CB-CB 4.25Å; I267-H270 WeakPolarHBondContact O-CA 3.5Å; I267-H270 PolarHBondContact O-N 3.38Å; I267-H270 VanDerWaalsContact O-O 3.11Å; P268-H270 VanDerWaalsContact C-N 3.3Å; H270-D316 CarbonylContact C-O 3.44Å; H270-D316 WeakPolarHBondContact CA-O 3.2Å; H270-D316 HydrophobicContact CB-CB 4.45Å; H270-D316 IonicContact CD2-OD2 3.31Å; H270-D316 PolarHBondContact CD2-OD2 3.43Å
271R96.4Very high93.8Very high31 Ų3147.2 Ų47.212%0.11727%0.268CS..  trans-71.2153.2166.3-60.6178.3-175.9816.9108.9T307 G315 D316 E317 L318 L320R271-T307 HydrophobicContact CB-CG2 4.03Å; R271-G315 PolarHBondContact NH1-O 2.85Å; R271-G315 VanDerWaalsContact NH1-O 3.08Å; R271-D316 PolarHBondContact N-O 2.84Å; R271-E317 PolarHBondContact NH1-O 2.94Å; R271-L318 HydrophobicContact CG-CD2 3.5Å; R271-L318 VanDerWaalsContact CG-CD2 3.5Å; R271-L318 HydrophobicContact CG-CG 4.18Å; R271-L320 PolarHBondContact NH1-O 3.15Å; R271-L320 PolarHBondContact NH2-O 3.43Å
272P96.1Very high94Very high38 Ų3845.2 Ų45.225%0.24725%0.254CS..  trans-57147.8169-21.832.6000111.2C141 T266 R274 T307C141-P272 HydrophobicContact CB-CB 3.41Å; C141-P272 VanDerWaalsContact CB-CB 3.41Å; C141-P272 HydrophobicContact CB-CG 3.99Å; T266-P272 HydrophobicContact CG2-CB 4.5Å; T266-P272 HydrophobicContact CG2-CG 4.2Å; P272-R274 PolarHBondContact O-N 3.13Å; P272-T307 PolarHBondContact O-OG1 3.18Å
273L97.1Very high94.5Very high45 Ų4543.9 Ų43.924%0.23625%0.247CC..  trans-77.3102.1173.3-62.4-177.9000109.4D173 R174 T307 Y308 D316D173-L273 CarbonylContact C-O 3.4Å; R174-L273 WeakPolarHBondContact CA-O 3.45Å; R174-L273 HydrophobicContact CB-CB 4.19Å; R174-L273 HydrophobicContact CG-CB 4.2Å; R174-L273 HydrophobicContact CG-CD1 4.21Å; R174-L273 PolarHBondContact N-O 2.7Å; R174-L273 VanDerWaalsContact N-O 3.07Å; L273-T307 WeakPolarHBondContact CA-OG1 3.49Å; L273-Y308 HydrophobicContact CB-CD2 4.42Å; L273-Y308 HydrophobicContact CB-CG 4.14Å; L273-Y308 HydrophobicContact CD1-CD2 4.23Å; L273-Y308 HydrophobicContact CD1-CE2 4.22Å; L273-Y308 HydrophobicContact CD2-CD2 4.06Å; L273-Y308 HydrophobicContact CG-CD2 4.48Å; L273-D316 HydrophobicContact CD2-CB 3.93Å
274R97.9Very high95.2Very high12 Ų1239.6 Ų39.65%0.04521%0.212CC..  trans-112116.6-173.6-164.5-167.5-56.4-58.413.6110.1D139 C141 F172 P272 I276 G303 G304 C306 T307 Y308D139-R274 IonicContact OD1-CZ 3.67Å; D139-R274 IonicContact OD1-NH1 3.38Å; D139-R274 PolarHBondContact OD1-NH1 3.17Å; D139-R274 VanDerWaalsContact OD2-CD 3.26Å; D139-R274 WeakPolarHBondContact OD2-CD 3.14Å; D139-R274 IonicContact OD2-CZ 2.7Å; D139-R274 IonicContact OD2-NE 2.6Å; D139-R274 PolarHBondContact OD2-NE 2.95Å; D139-R274 IonicContact OD2-NH1 3.72Å; D139-R274 PolarHBondContact OD2-NH1 2.86Å; D139-R274 IonicContact OD2-NH2 3.56Å; C141-R274 PolarHBondContact O-NH1 2.97Å; C141-R274 PolarHBondContact O-NH2 3.31Å; C141-R274 PolarHBondContact SG-NH1 3.07Å; C141-R274 VanDerWaalsContact SG-NH1 3.43Å; F172-R274 HydrophobicContact CE2-CG 3.85Å; P272-R274 PolarHBondContact O-N 3.13Å; R274-I276 HydrophobicContact CG-CD1 4.47Å; R274-I276 HydrophobicContact CG-CG1 3.96Å; R274-G303 PolarHBondContact NH2-O 2.85Å; R274-G304 VanDerWaalsContact CD-O 3.28Å; R274-G304 WeakPolarHBondContact CD-O 3.18Å; R274-G304 VanDerWaalsContact NE-C 3.35Å; R274-G304 PolarHBondContact NE-O 3.06Å; R274-G304 VanDerWaalsContact NE-O 3.13Å; R274-C306 PolarHBondContact O-SG 3.03Å; R274-C306 VanDerWaalsContact O-SG 3.41Å; R274-T307 PolarHBondContact N-OG1 2.81Å; R274-T307 PolarHBondContact O-N 2.99Å; R274-Y308 PolarHBondContact O-N 2.79Å; R274-Y308 VanDerWaalsContact O-N 3.14Å
275C98.1Very high95.5Very high0 Ų034.2 Ų34.20%019%0.191CC..  trans-10150.1-174.372.40000114.9D173 G194 G277 A278 A279 Y308D173-C275 PolarHBondContact O-N 2.62Å; D173-C275 PolarHBondContact O-SG 3.08Å; G194-C275 VanDerWaalsContact CA-SG 3.59Å; C275-G277 VanDerWaalsContact C-N 3.28Å; C275-G277 PolarHBondContact O-N 3.37Å; C275-A278 HydrophobicContact CB-CB 4.15Å; C275-A278 PolarHBondContact O-N 3.3Å; C275-A279 PolarHBondContact O-N 3.17Å; C275-Y308 VanDerWaalsContact CA-O 3.32Å; C275-Y308 WeakPolarHBondContact CA-O 3.33Å; C275-Y308 HydrophobicContact CB-CD1 4.29Å
276I98.6Very high96.2Very high0 Ų026.4 Ų26.40%015%0.15CC..Hα-helixtrans-49.4-47.6-177.8-59.9175.6000111.8F172 R274 A278 A279 L280 L300 I302 G304 C306 M372F172-I276 HydrophobicContact CE2-CB 4.3Å; F172-I276 HydrophobicContact CE2-CG1 3.7Å; F172-I276 HydrophobicContact CZ-CG1 3.96Å; R274-I276 HydrophobicContact CG-CD1 4.47Å; R274-I276 HydrophobicContact CG-CG1 3.96Å; I276-A278 PolarHBondContact O-N 3.13Å; I276-A279 PolarHBondContact O-N 3.46Å; I276-L280 HydrophobicContact CG2-CD1 4.14Å; I276-L280 PolarHBondContact O-N 2.87Å; I276-L300 HydrophobicContact CG2-CD1 4.38Å; I276-L300 HydrophobicContact CG2-CD2 3.82Å; I276-I302 HydrophobicContact CD1-CB 4.22Å; I276-I302 HydrophobicContact CD1-CD1 4.4Å; I276-I302 HydrophobicContact CD1-CG2 3.78Å; I276-I302 HydrophobicContact CG1-CG2 4.12Å; I276-I302 HydrophobicContact CG2-CG2 4.45Å; I276-G304 WeakPolarHBondContact CD1-O 3.37Å; I276-C306 HydrophobicContact CB-CB 3.93Å; I276-C306 HydrophobicContact CD1-CB 4.01Å; I276-C306 HydrophobicContact CG1-CB 4.12Å; I276-C306 PolarHBondContact N-SG 2.9Å; I276-M372 HydrophobicContact CG2-SD 4.02Å
277G98.4Very high96.7Very high0 Ų023.6 Ų23.60%013%0.132CC..Hα-helixtrans-64.7-37.5-177.300000113.4C275 N281 P310 F342C275-G277 VanDerWaalsContact C-N 3.28Å; C275-G277 PolarHBondContact O-N 3.37Å; G277-N281 VanDerWaalsContact O-CB 3.26Å; G277-N281 WeakPolarHBondContact O-CB 3.47Å; G277-N281 PolarHBondContact O-N 3.4Å; G277-P310 WeakPolarHBondContact CA-O 3.46Å; G277-F342 VanDerWaalsContact CA-CE1 3.48Å; G277-F342 WeakPolarHBondContact O-CZ 3.37Å
278A98.5Very high96.9Very high2 Ų219.9 Ų19.92%0.01711%0.113CC..Hα-helixtrans-68.5-40.5173.900000111.7V176 G194 C275 I276 N281 V282V176-A278 HydrophobicContact CG2-CB 4.02Å; G194-A278 WeakPolarHBondContact O-CB 3.37Å; C275-A278 HydrophobicContact CB-CB 4.15Å; C275-A278 PolarHBondContact O-N 3.3Å; I276-A278 PolarHBondContact O-N 3.13Å; A278-N281 PolarHBondContact O-N 2.99Å; A278-V282 WeakPolarHBondContact O-CG2 3.38Å; A278-V282 PolarHBondContact O-N 3.03Å
279A98.6Very high97.1Very high0 Ų015.9 Ų15.90%09%0.086CC..Hα-helixtrans-61.9-46.7177.500000112V137 F172 V176 C275 I276 V282 A283V137-A279 HydrophobicContact CG1-CB 4.03Å; F172-A279 HydrophobicContact CB-CB 3.76Å; F172-A279 HydrophobicContact CD1-CB 3.58Å; F172-A279 HydrophobicContact CD2-CB 3.95Å; F172-A279 HydrophobicContact CE1-CB 4.14Å; F172-A279 HydrophobicContact CE2-CB 4.45Å; F172-A279 HydrophobicContact CG-CB 3.47Å; F172-A279 VanDerWaalsContact CG-CB 3.47Å; V176-A279 HydrophobicContact CG1-CB 4.27Å; V176-A279 HydrophobicContact CG2-CB 4.04Å; C275-A279 PolarHBondContact O-N 3.17Å; I276-A279 PolarHBondContact O-N 3.46Å; A279-V282 PolarHBondContact O-N 3.39Å; A279-A283 WeakPolarHBondContact O-CB 3.34Å; A279-A283 PolarHBondContact O-N 2.99Å
280L98.4Very high97Very high0 Ų012.5 Ų12.50%07%0.066CC..Hα-helixtrans-62.6-42.3173.6-82.8174.8000112.3I276 V282 A283 V284 I298 L300 F343 I357 L375I276-L280 HydrophobicContact CG2-CD1 4.14Å; I276-L280 PolarHBondContact O-N 2.87Å; L280-V282 VanDerWaalsContact C-N 3.31Å; L280-V282 PolarHBondContact O-N 3.23Å; L280-A283 PolarHBondContact O-N 3.23Å; L280-V284 WeakPolarHBondContact O-CB 3.5Å; L280-V284 WeakPolarHBondContact O-CG2 3.31Å; L280-V284 PolarHBondContact O-N 2.97Å; L280-I298 HydrophobicContact CD2-CG2 4.16Å; L280-L300 HydrophobicContact CD1-CD2 3.85Å; L280-L300 HydrophobicContact CD2-CB 4.37Å; L280-L300 HydrophobicContact CD2-CD1 4.45Å; L280-L300 HydrophobicContact CD2-CD2 4.1Å; L280-L300 HydrophobicContact CG-CD1 4.4Å; L280-L300 HydrophobicContact CG-CD2 4.02Å; L280-F343 HydrophobicContact CD1-CD1 4.06Å; L280-F343 HydrophobicContact CD1-CE1 3.82Å; L280-I357 HydrophobicContact CD2-CG2 4.06Å; L280-L375 HydrophobicContact CD1-CD1 3.46Å; L280-L375 VanDerWaalsContact CD1-CD1 3.46Å
281N98.4Very high96.8Very high2 Ų210.5 Ų10.51%0.0116%0.056CC..Hα-helixtrans-59.9-42.4177177-92.8000111.6V198 G277 A278 T285 F342 M346 R349V198-N281 PolarHBondContact N-OD1 2.91Å; V198-N281 PolarHBondContact O-OD1 3.19Å; G277-N281 VanDerWaalsContact O-CB 3.26Å; G277-N281 WeakPolarHBondContact O-CB 3.47Å; G277-N281 PolarHBondContact O-N 3.4Å; A278-N281 PolarHBondContact O-N 2.99Å; N281-T285 WeakPolarHBondContact O-CB 3.46Å; N281-T285 PolarHBondContact O-N 3.09Å; N281-T285 PolarHBondContact O-OG1 2.83Å; N281-F342 HydrophobicContact CB-CZ 4.26Å; N281-M346 HydrophobicContact CB-SD 4.1Å; N281-R349 PolarHBondContact ND2-NH1 3.28Å
282V98.4Very high96.5Very high1 Ų111.9 Ų11.91%0.0067%0.071CC..Hα-helixtrans-62.7-47.4173.2171.50000111I170 V176 V178 F192 V198 I203 A278 A279 L280 T285 L286I170-V282 HydrophobicContact CD1-CG1 4.15Å; V176-V282 HydrophobicContact CB-CG2 4.47Å; V176-V282 HydrophobicContact CG1-CB 4.09Å; V176-V282 HydrophobicContact CG1-CG1 4.2Å; V176-V282 HydrophobicContact CG1-CG2 4.08Å; V178-V282 HydrophobicContact CG2-CG1 3.51Å; F192-V282 HydrophobicContact CB-CG2 4.35Å; F192-V282 HydrophobicContact CD2-CG1 4.31Å; F192-V282 HydrophobicContact CD2-CG2 4.22Å; F192-V282 HydrophobicContact CE2-CG1 4.32Å; F192-V282 HydrophobicContact CG-CG2 4.25Å; V198-V282 HydrophobicContact CB-CG2 4.02Å; V198-V282 HydrophobicContact CG2-CG2 3.58Å; I203-V282 HydrophobicContact CD1-CG1 4.34Å; A278-V282 WeakPolarHBondContact O-CG2 3.38Å; A278-V282 PolarHBondContact O-N 3.03Å; A279-V282 PolarHBondContact O-N 3.39Å; L280-V282 VanDerWaalsContact C-N 3.31Å; L280-V282 PolarHBondContact O-N 3.23Å; V282-T285 PolarHBondContact O-N 3.49Å; V282-L286 VanDerWaalsContact O-CB 3.29Å; V282-L286 WeakPolarHBondContact O-CB 3.32Å; V282-L286 PolarHBondContact O-N 3.22Å
283A98.3Very high96.3Very high0 Ų014.9 Ų14.90%09%0.085CC..Hα-helixtrans-60.8-49.8-178.700000112.7L135 V137 I170 A279 L280 T285 L286 L287 I298L135-A283 HydrophobicContact CD2-CB 3.72Å; V137-A283 HydrophobicContact CG2-CB 3.85Å; I170-A283 HydrophobicContact CD1-CB 3.8Å; A279-A283 WeakPolarHBondContact O-CB 3.34Å; A279-A283 PolarHBondContact O-N 2.99Å; L280-A283 PolarHBondContact O-N 3.23Å; A283-T285 VanDerWaalsContact C-N 3.35Å; A283-T285 PolarHBondContact O-N 3.49Å; A283-L286 PolarHBondContact O-N 2.74Å; A283-L287 PolarHBondContact O-N 3.39Å; A283-L287 VanDerWaalsContact O-N 3.13Å; A283-I298 HydrophobicContact CB-CD1 4.12Å; A283-I298 HydrophobicContact CB-CG2 3.87Å
284V98Very high96Very high0 Ų013.5 Ų13.50%08%0.078CC..Hα-helixtrans-61.8-44.4177.2172.30000110.5L280 L286 L287 E288 I298 R349 I357L280-V284 WeakPolarHBondContact O-CB 3.5Å; L280-V284 WeakPolarHBondContact O-CG2 3.31Å; L280-V284 PolarHBondContact O-N 2.97Å; V284-L286 PolarHBondContact O-N 3.15Å; V284-L287 PolarHBondContact O-N 2.8Å; V284-E288 WeakPolarHBondContact O-CB 3.4Å; V284-E288 PolarHBondContact O-N 2.64Å; V284-I298 HydrophobicContact CB-CD1 4.36Å; V284-I298 HydrophobicContact CG2-CD1 3.65Å; V284-R349 HydrophobicContact CG1-CB 3.84Å; V284-I357 HydrophobicContact CG2-CD1 4.05Å
285T97.5Very high95.8Very high0 Ų012.9 Ų12.90%08%0.076CC..Hα-helixtrans-66.6-37.4179.7-52.40000111.9Q200 I203 N281 V282 A283 E288 V289 R349Q200-T285 HydrophobicContact CB-CG2 4.31Å; Q200-T285 HydrophobicContact CG-CG2 3.85Å; I203-T285 HydrophobicContact CB-CG2 4.28Å; I203-T285 HydrophobicContact CG1-CG2 3.61Å; N281-T285 WeakPolarHBondContact O-CB 3.46Å; N281-T285 PolarHBondContact O-N 3.09Å; N281-T285 PolarHBondContact O-OG1 2.83Å; V282-T285 PolarHBondContact O-N 3.49Å; A283-T285 VanDerWaalsContact C-N 3.35Å; A283-T285 PolarHBondContact O-N 3.49Å; T285-E288 PolarHBondContact O-N 3.3Å; T285-V289 HydrophobicContact CG2-CG2 4.49Å; T285-V289 VanDerWaalsContact O-CG2 3.31Å; T285-V289 WeakPolarHBondContact O-CG2 3.22Å; T285-V289 PolarHBondContact O-N 3.21Å; T285-R349 PolarHBondContact OG1-NH2 3Å
286L96.8Very high95.7Very high4 Ų412.9 Ų12.92%0.0218%0.076CC..Hα-helixtrans-60.9-50.4176.2178.962.6000111.5L135 I170 V178 I203 L207 F241 L242 V282 A283 V284 V289 C290L135-L286 HydrophobicContact CD2-CD2 4.42Å; I170-L286 HydrophobicContact CD1-CD2 4.49Å; V178-L286 HydrophobicContact CG1-CD2 4.16Å; I203-L286 HydrophobicContact CG2-CD1 4Å; L207-L286 HydrophobicContact CD2-CD1 4.38Å; F241-L286 HydrophobicContact CB-CD2 4.5Å; F241-L286 HydrophobicContact CD2-CD1 4.31Å; L242-L286 HydrophobicContact CD1-CG 4.29Å; L242-L286 HydrophobicContact CD2-CD2 4.47Å; V282-L286 VanDerWaalsContact O-CB 3.29Å; V282-L286 WeakPolarHBondContact O-CB 3.32Å; V282-L286 PolarHBondContact O-N 3.22Å; A283-L286 PolarHBondContact O-N 2.74Å; V284-L286 PolarHBondContact O-N 3.15Å; L286-V289 PolarHBondContact O-N 2.7Å; L286-C290 WeakPolarHBondContact O-CB 3.38Å; L286-C290 PolarHBondContact O-N 2.84Å; L286-C290 PolarHBondContact O-SG 2.72Å; L286-C290 VanDerWaalsContact O-SG 3.39Å
287L95.7Very high95.6Very high0 Ų012.9 Ų12.90%08%0.076CC..Hα-helixtrans-70.7-33.9178.9-61.7-170.8000112.4I133 L135 L242 A283 V284 V289 C290 Y291 S292 I298 H355I133-L287 HydrophobicContact CG2-CD2 3.88Å; L135-L287 HydrophobicContact CB-CD1 4.39Å; L135-L287 HydrophobicContact CD2-CD1 4.2Å; L135-L287 HydrophobicContact CD2-CD2 4.15Å; L135-L287 HydrophobicContact CD2-CG 3.92Å; L242-L287 HydrophobicContact CD1-CD2 3.74Å; L242-L287 HydrophobicContact CD2-CD2 4.27Å; A283-L287 PolarHBondContact O-N 3.39Å; A283-L287 VanDerWaalsContact O-N 3.13Å; V284-L287 PolarHBondContact O-N 2.8Å; L287-V289 VanDerWaalsContact C-N 3.32Å; L287-V289 PolarHBondContact O-N 3.38Å; L287-C290 PolarHBondContact O-N 3.06Å; L287-Y291 CarbonylContact O-C 3.59Å; L287-Y291 WeakPolarHBondContact O-CA 3.44Å; L287-Y291 PolarHBondContact O-N 3.46Å; L287-S292 PolarHBondContact O-N 2.94Å; L287-I298 HydrophobicContact CD1-CD1 4.02Å; L287-I298 HydrophobicContact CD1-CG1 3.58Å; L287-H355 VanDerWaalsContact C-CE1 3.47Å; L287-H355 WeakPolarHBondContact CB-CE1 3.39Å; L287-H355 PolarHBondContact O-CE1 2.85Å
288E94.5Very high95.7Very high23 Ų2312.9 Ų12.911%0.1078%0.076CC..Hα-helixtrans-59.9-41.5174.1175.6167-148.700111.9Q200 V284 T285 R349 N353Q200-E288 PolarHBondContact NE2-OE1 2.91Å; Q200-E288 PolarHBondContact NE2-OE2 3.46Å; Q200-E288 VanDerWaalsContact NE2-OE2 3.11Å; V284-E288 WeakPolarHBondContact O-CB 3.4Å; V284-E288 PolarHBondContact O-N 2.64Å; T285-E288 PolarHBondContact O-N 3.3Å; E288-R349 IonicContact OE2-CZ 3.28Å; E288-R349 IonicContact OE2-NE 3.41Å; E288-R349 PolarHBondContact OE2-NE 2.71Å; E288-R349 IonicContact OE2-NH2 3.17Å; E288-R349 PolarHBondContact OE2-NH2 3.46Å; E288-N353 WeakPolarHBondContact CG-ND2 3.39Å; E288-N353 PolarHBondContact OE1-ND2 3.26Å
289V93.6Very high95.7Very high37 Ų3712.8 Ų12.822%0.2248%0.075CC..Hα-helixtrans-75.2-42.2178.6171.10000112.1Q200 I203 Q204 L207 T285 L286 L287Q200-V289 HydrophobicContact CB-CG2 3.83Å; Q200-V289 HydrophobicContact CG-CG2 3.97Å; I203-V289 HydrophobicContact CB-CG2 4.39Å; I203-V289 HydrophobicContact CG2-CB 4.12Å; I203-V289 HydrophobicContact CG2-CG1 4.3Å; I203-V289 HydrophobicContact CG2-CG2 4.16Å; Q204-V289 HydrophobicContact CG-CG1 3.55Å; Q204-V289 HydrophobicContact CG-CG2 4.27Å; L207-V289 HydrophobicContact CD1-CG1 3.6Å; T285-V289 HydrophobicContact CG2-CG2 4.49Å; T285-V289 VanDerWaalsContact O-CG2 3.31Å; T285-V289 WeakPolarHBondContact O-CG2 3.22Å; T285-V289 PolarHBondContact O-N 3.21Å; L286-V289 PolarHBondContact O-N 2.7Å; L287-V289 VanDerWaalsContact C-N 3.32Å; L287-V289 PolarHBondContact O-N 3.38Å
290C91.8Very high95.7Very high18 Ų1812.8 Ų12.812%0.1228%0.075CC..Hα-helixtrans-88-35.9-171.9-66.20000114L207 P237 N239 L242 L286 L287L207-C290 WeakPolarHBondContact CD1-SG 3.47Å; P237-C290 VanDerWaalsContact CG-O 3.29Å; P237-C290 WeakPolarHBondContact CG-O 3.18Å; N239-C290 PolarHBondContact ND2-SG 2.94Å; L242-C290 HydrophobicContact CD1-CB 3.92Å; L286-C290 WeakPolarHBondContact O-CB 3.38Å; L286-C290 PolarHBondContact O-N 2.84Å; L286-C290 PolarHBondContact O-SG 2.72Å; L286-C290 VanDerWaalsContact O-SG 3.39Å; L287-C290 PolarHBondContact O-N 3.06Å
291Y90.9Very high95.7Very high7 Ų712.8 Ų12.83%0.0278%0.075CC..  trans-145.451.7-165.5-69.5-81.1000112.5L130 I133 T166 A236 P237 L242 L287 T294 H355L130-Y291 HydrophobicContact CD1-CD1 3.83Å; L130-Y291 HydrophobicContact CD1-CE1 3.96Å; I133-Y291 HydrophobicContact CD1-CD1 3.61Å; I133-Y291 HydrophobicContact CD1-CD2 3.75Å; I133-Y291 HydrophobicContact CD1-CE1 4.28Å; I133-Y291 HydrophobicContact CD1-CE2 4.43Å; I133-Y291 HydrophobicContact CD1-CG 3.3Å; I133-Y291 HydrophobicContact CG1-CD1 4.47Å; I133-Y291 HydrophobicContact CG1-CG 4.36Å; T166-Y291 HydrophobicContact CG2-CE2 4.42Å; A236-Y291 HydrophobicContact CB-CE1 4.41Å; P237-Y291 HydrophobicContact CG-CD1 4.09Å; P237-Y291 HydrophobicContact CG-CE1 3.72Å; P237-Y291 PolarHBondContact O-OH 3.43Å; L242-Y291 HydrophobicContact CB-CE2 3.95Å; L242-Y291 HydrophobicContact CD1-CD2 3.6Å; L242-Y291 HydrophobicContact CD1-CE2 3.54Å; L242-Y291 HydrophobicContact CG-CE2 4.39Å; L287-Y291 CarbonylContact O-C 3.59Å; L287-Y291 WeakPolarHBondContact O-CA 3.44Å; L287-Y291 PolarHBondContact O-N 3.46Å; Y291-T294 PolarHBondContact O-N 2.99Å; Y291-H355 PolarHBondContact O-CE1 2.9Å; Y291-H355 PolarHBondContact O-NE2 2.58Å
292S91Very high95.7Very high61 Ų6112.7 Ų12.743%0.4278%0.075SC..THydrogen-bonded Turntrans-59.8142.2173.7690000111.8L287 T294L287-S292 PolarHBondContact O-N 2.94Å; S292-T294 PolarHBondContact O-N 2.88Å; S292-T294 PolarHBondContact O-OG1 2.92Å
293N91Very high95.7Very high101 Ų10113.4 Ų13.454%0.548%0.082SC..THydrogen-bonded Turntrans56.728.1178.6-62.6-47.3000114.6K352 N353 N415N293-K352 PolarHBondContact OD1-O 2.79Å; N293-N353 WeakPolarHBondContact CA-O 3.4Å; N293-N353 PolarHBondContact N-O 2.92Å; N293-N415 PolarHBondContact O-ND2 2.87Å
294T92Very high95.7Very high15 Ų1514 Ų149%0.0929%0.088CC..SBendtrans-119.8140.9176.1-58.60000109L130 I133 Y291 S292 G296 H355L130-T294 HydrophobicContact CB-CG2 3.81Å; L130-T294 HydrophobicContact CD1-CG2 4.16Å; L130-T294 HydrophobicContact CG-CG2 4.45Å; I133-T294 HydrophobicContact CD1-CG2 3.99Å; Y291-T294 PolarHBondContact O-N 2.99Å; S292-T294 PolarHBondContact O-N 2.88Å; S292-T294 PolarHBondContact O-OG1 2.92Å; T294-G296 PolarHBondContact O-N 3.29Å; T294-H355 PolarHBondContact O-CD2 2.66Å; T294-H355 PolarHBondContact O-NE2 3.06Å
295G93.9Very high95.7Very high0 Ų014.3 Ų14.30%09%0.091CC..  trans-58.8121175.700000112.5I133 F414I133-G295 PolarHBondContact N-O 3.49Å; G295-F414 VanDerWaalsContact CA-CB 3.44Å
296G94.9Very high95.7Very high0 Ų014.3 Ų14.30%09%0.091CC..EExtended strand (participates in β ladder)trans-154.5157.2175.400000111.8I133 T294 H355 A356I133-G296 CarbonylContact O-C 3.55Å; I133-G296 WeakPolarHBondContact O-CA 3.15Å; T294-G296 PolarHBondContact O-N 3.29Å; G296-H355 CarbonylContact O-C 3.59Å; G296-H355 WeakPolarHBondContact O-CA 3.27Å; G296-A356 PolarHBondContact O-N 3.4Å
297R97.9Very high95.8Very high0 Ų014.4 Ų14.40%09%0.092CC..EExtended strand (participates in β ladder)trans-121127176.5-49.7-170.375.998.76110I133 F134 L135 M299 A356 D358 H382 F414 S462I133-R297 PolarHBondContact O-N 3.34Å; F134-R297 HydrophobicContact CD1-CB 4.26Å; F134-R297 HydrophobicContact CD1-CG 4.29Å; F134-R297 HydrophobicContact CE1-CG 4.17Å; L135-R297 PolarHBondContact N-O 3.42Å; R297-M299 HydrophobicContact CB-CE 4.16Å; R297-M299 HydrophobicContact CB-CG 4.36Å; R297-A356 CarbonylContact C-O 3.47Å; R297-A356 WeakPolarHBondContact CA-O 3.11Å; R297-A356 HydrophobicContact CG-CB 4.41Å; R297-D358 IonicContact CZ-OD1 3.44Å; R297-D358 IonicContact CZ-OD2 2.71Å; R297-D358 IonicContact NE-OD1 3.98Å; R297-D358 IonicContact NE-OD2 3.33Å; R297-D358 PolarHBondContact NE-OD2 2.92Å; R297-D358 IonicContact NH2-OD1 3.31Å; R297-D358 PolarHBondContact NH2-OD1 3.18Å; R297-D358 IonicContact NH2-OD2 3.19Å; R297-D358 PolarHBondContact NH2-OD2 2.97Å; R297-H382 PolarHBondContact NH2-CD2 3.03Å; R297-H382 PolarHBondContact NH2-NE2 3Å; R297-F414 HydrophobicContact CG-CD1 4.31Å; R297-F414 HydrophobicContact CG-CE1 3.67Å; R297-S462 VanDerWaalsContact NH1-CB 3.28Å; R297-S462 PolarHBondContact NH1-OG 3.13Å; R297-S462 PolarHBondContact NH2-OG 2.64Å
298I98.7Very high95.8Very high0 Ų017 Ų170%010%0.102CC..EExtended strand (participates in β ladder)trans-93.3110165.8-58.3177.2000106.4L135 V137 L280 A283 V284 L287 A356 I357 D358L135-I298 HydrophobicContact CD2-CG1 4.4Å; V137-I298 HydrophobicContact CG2-CG2 3.67Å; L280-I298 HydrophobicContact CD2-CG2 4.16Å; A283-I298 HydrophobicContact CB-CD1 4.12Å; A283-I298 HydrophobicContact CB-CG2 3.87Å; V284-I298 HydrophobicContact CB-CD1 4.36Å; V284-I298 HydrophobicContact CG2-CD1 3.65Å; L287-I298 HydrophobicContact CD1-CD1 4.02Å; L287-I298 HydrophobicContact CD1-CG1 3.58Å; I298-A356 PolarHBondContact N-O 2.99Å; I298-I357 HydrophobicContact CB-CG1 4.25Å; I298-I357 HydrophobicContact CD1-CG1 4.31Å; I298-I357 CarbonylContact O-C 3.59Å; I298-I357 WeakPolarHBondContact O-CA 3.38Å; I298-D358 PolarHBondContact O-N 2.99Å
299M98.7Very high96Very high0 Ų017.2 Ų17.20%011%0.11CC..EExtended strand (participates in β ladder)trans-98.299.8-178-67.4176170.700109.4F134 L135 F136 V137 R297 F301 D358 Y360 V401 F402F134-M299 HydrophobicContact CD1-CE 3.46Å; F134-M299 VanDerWaalsContact CD1-CE 3.46Å; F134-M299 HydrophobicContact CD1-SD 4.33Å; F134-M299 HydrophobicContact CE1-CE 3.91Å; L135-M299 PolarHBondContact O-N 3.32Å; F136-M299 HydrophobicContact CD1-CB 4.42Å; F136-M299 HydrophobicContact CD1-SD 4.07Å; F136-M299 HydrophobicContact CE1-SD 3.7Å; F136-M299 HydrophobicContact CZ-SD 4.35Å; V137-M299 PolarHBondContact N-O 3.21Å; R297-M299 HydrophobicContact CB-CE 4.16Å; R297-M299 HydrophobicContact CB-CG 4.36Å; M299-F301 HydrophobicContact CB-CE2 3.62Å; M299-F301 HydrophobicContact CB-CZ 3.96Å; M299-F301 VanDerWaalsContact O-CD2 3.3Å; M299-F301 WeakPolarHBondContact O-CD2 3.23Å; M299-F301 VanDerWaalsContact O-CE2 3.24Å; M299-F301 WeakPolarHBondContact O-CE2 3.42Å; M299-D358 HydrophobicContact CG-CB 4.44Å; M299-Y360 HydrophobicContact CB-CE2 3.9Å; M299-Y360 HydrophobicContact CG-CE2 4.08Å; M299-V401 HydrophobicContact CE-CG1 4.5Å; M299-F402 HydrophobicContact CE-CE1 3.76Å; M299-F402 HydrophobicContact CE-CZ 3.61Å; M299-F402 HydrophobicContact SD-CZ 3.98Å
300L98.8Very high96.2Very high0 Ų016.5 Ų16.50%011%0.106CC..EExtended strand (participates in β ladder)trans-91.9119.8-178.3177.570.8000110.5V137 F172 I276 L280 I302 D358 I359 Y360 M372V137-L300 HydrophobicContact CB-CD1 4.05Å; V137-L300 HydrophobicContact CG1-CD1 3.74Å; F172-L300 HydrophobicContact CE1-CD1 3.85Å; F172-L300 HydrophobicContact CZ-CD1 4.05Å; I276-L300 HydrophobicContact CG2-CD1 4.38Å; I276-L300 HydrophobicContact CG2-CD2 3.82Å; L280-L300 HydrophobicContact CD1-CD2 3.85Å; L280-L300 HydrophobicContact CD2-CB 4.37Å; L280-L300 HydrophobicContact CD2-CD1 4.45Å; L280-L300 HydrophobicContact CD2-CD2 4.1Å; L280-L300 HydrophobicContact CG-CD1 4.4Å; L280-L300 HydrophobicContact CG-CD2 4.02Å; L300-I302 HydrophobicContact CD1-CG2 3.92Å; L300-I302 HydrophobicContact CD2-CG2 3.91Å; L300-I302 HydrophobicContact CG-CG2 3.7Å; L300-D358 VanDerWaalsContact CB-O 3.32Å; L300-D358 WeakPolarHBondContact CB-O 3.29Å; L300-D358 PolarHBondContact N-O 2.82Å; L300-I359 HydrophobicContact CD2-CG1 4.42Å; L300-I359 WeakPolarHBondContact O-CA 3.23Å; L300-Y360 PolarHBondContact O-N 3.49Å; L300-M372 HydrophobicContact CD2-SD 4.43Å
301F98.7Very high96.5Very high0 Ų015.9 Ų15.90%010%0.103CC..EExtended strand (participates in β ladder)trans-108.7121.2175.7-55.5-94.2000108.8F136 V137 I138 D139 L150 L154 M299 Y360 F389 F394 F398F136-F301 AromaticContact CD1-CE2 3.95Å; F136-F301 HydrophobicContact CD1-CE2 3.95Å; F136-F301 HydrophobicContact CD1-CZ 4.26Å; V137-F301 PolarHBondContact O-N 2.93Å; I138-F301 HydrophobicContact CG1-CD2 4.36Å; D139-F301 WeakPolarHBondContact CB-O 3.4Å; D139-F301 PolarHBondContact N-O 2.92Å; D139-F301 VanDerWaalsContact N-O 3.09Å; L150-F301 HydrophobicContact CD1-CB 4.23Å; L150-F301 HydrophobicContact CD1-CD1 3.48Å; L150-F301 VanDerWaalsContact CD1-CD1 3.48Å; L150-F301 HydrophobicContact CD1-CE1 4.04Å; L150-F301 HydrophobicContact CD1-CG 3.91Å; L150-F301 HydrophobicContact CD2-CB 3.93Å; L150-F301 HydrophobicContact CD2-CG 4.41Å; L154-F301 HydrophobicContact CD2-CD2 4.37Å; L154-F301 HydrophobicContact CD2-CE1 4Å; L154-F301 HydrophobicContact CD2-CE2 3.7Å; L154-F301 HydrophobicContact CD2-CZ 3.49Å; L154-F301 VanDerWaalsContact CD2-CZ 3.49Å; M299-F301 HydrophobicContact CB-CE2 3.62Å; M299-F301 HydrophobicContact CB-CZ 3.96Å; M299-F301 VanDerWaalsContact O-CD2 3.3Å; M299-F301 WeakPolarHBondContact O-CD2 3.23Å; M299-F301 VanDerWaalsContact O-CE2 3.24Å; M299-F301 WeakPolarHBondContact O-CE2 3.42Å; F301-Y360 WeakPolarHBondContact CA-O 3.3Å; F301-Y360 AromaticContact CD1-CD2 3.73Å; F301-Y360 HydrophobicContact CD1-CD2 3.73Å; F301-Y360 AromaticContact CD1-CG 3.81Å; F301-Y360 HydrophobicContact CD1-CG 3.81Å; F301-Y360 HydrophobicContact CE1-CD1 4.39Å; F301-Y360 AromaticContact CE1-CD2 3.4Å; F301-Y360 HydrophobicContact CE1-CD2 3.4Å; F301-Y360 AromaticContact CE1-CE2 3.96Å; F301-Y360 HydrophobicContact CE1-CE2 3.96Å; F301-Y360 AromaticContact CE1-CG 3.65Å; F301-Y360 HydrophobicContact CE1-CG 3.65Å; F301-Y360 HydrophobicContact CE2-CD2 4.24Å; F301-Y360 HydrophobicContact CG-CD2 4.28Å; F301-Y360 AromaticContact CZ-CD2 3.67Å; F301-Y360 HydrophobicContact CZ-CD2 3.67Å; F301-Y360 AromaticContact CZ-CE2 3.87Å; F301-Y360 HydrophobicContact CZ-CE2 3.87Å; F301-Y360 HydrophobicContact CZ-CG 4.37Å; F301-F389 HydrophobicContact CB-CE1 4.22Å; F301-F389 HydrophobicContact CB-CZ 4.18Å; F301-F389 HydrophobicContact CD1-CE1 4.25Å; F301-F394 HydrophobicContact CD1-CE2 4.45Å; F301-F394 HydrophobicContact CD1-CZ 4.25Å; F301-F394 HydrophobicContact CE1-CE2 4.48Å; F301-F394 HydrophobicContact CE1-CZ 4.22Å; F301-F398 HydrophobicContact CE1-CD2 4.17Å; F301-F398 HydrophobicContact CE1-CE1 4.42Å; F301-F398 AromaticContact CE1-CE2 3.67Å; F301-F398 HydrophobicContact CE1-CE2 3.67Å; F301-F398 AromaticContact CE1-CZ 3.81Å; F301-F398 HydrophobicContact CE1-CZ 3.81Å; F301-F398 HydrophobicContact CZ-CD2 4.5Å; F301-F398 HydrophobicContact CZ-CE1 4.5Å; F301-F398 AromaticContact CZ-CE2 3.58Å; F301-F398 HydrophobicContact CZ-CE2 3.58Å; F301-F398 AromaticContact CZ-CZ 3.58Å; F301-F398 HydrophobicContact CZ-CZ 3.58Å
302I98.6Very high96.8Very high0 Ų018.1 Ų18.10%011%0.114CC..EExtended strand (participates in β ladder)trans-129.8137.7-175.461.6-174000111.4F172 I276 L300 I359 Y360 C362 T367 M372 F389F172-I302 HydrophobicContact CZ-CG2 4.21Å; I276-I302 HydrophobicContact CD1-CB 4.22Å; I276-I302 HydrophobicContact CD1-CD1 4.4Å; I276-I302 HydrophobicContact CD1-CG2 3.78Å; I276-I302 HydrophobicContact CG1-CG2 4.12Å; I276-I302 HydrophobicContact CG2-CG2 4.45Å; L300-I302 HydrophobicContact CD1-CG2 3.92Å; L300-I302 HydrophobicContact CD2-CG2 3.91Å; L300-I302 HydrophobicContact CG-CG2 3.7Å; I302-I359 HydrophobicContact CD1-CG2 3.78Å; I302-I359 HydrophobicContact CG1-CG2 4.37Å; I302-Y360 PolarHBondContact N-O 3.42Å; I302-C362 PolarHBondContact O-N 2.89Å; I302-T367 HydrophobicContact CD1-CG2 4.43Å; I302-T367 HydrophobicContact CG1-CG2 4.38Å; I302-M372 HydrophobicContact CD1-CE 3.63Å; I302-F389 WeakPolarHBondContact O-CZ 3.27Å
303G97.9Very high97.1Very high16 Ų1615.5 Ų15.517%0.16510%0.095CC..SBendtrans-114.527.2174.800000113.4D139 R274 C362D139-G303 PolarHBondContact OD2-N 2.84Å; R274-G303 PolarHBondContact NH2-O 2.85Å; G303-C362 WeakPolarHBondContact CA-O 3.41Å
304G97.8Very high97.5Very high12 Ų1210.9 Ų10.912%0.1247%0.071CC..SBendtrans163.8175.2174.900000112.6R274 I276R274-G304 VanDerWaalsContact CD-O 3.28Å; R274-G304 WeakPolarHBondContact CD-O 3.18Å; R274-G304 VanDerWaalsContact NE-C 3.35Å; R274-G304 PolarHBondContact NE-O 3.06Å; R274-G304 VanDerWaalsContact NE-O 3.13Å; I276-G304 WeakPolarHBondContact CD1-O 3.37Å
305A98.2Very high97.7Very high7 Ų710.5 Ų10.56%0.0587%0.07CC..  trans-69.3157.6-178.300000114.9T307 I313 V314 I322 T367A305-T307 PolarHBondContact O-N 3.46Å; A305-I313 HydrophobicContact CB-CB 4.29Å; A305-I313 HydrophobicContact CB-CG2 4.16Å; A305-V314 HydrophobicContact CB-CG1 3.87Å; A305-I322 HydrophobicContact CB-CD1 4.29Å; A305-T367 WeakPolarHBondContact CA-O 3.49Å
306C98.3Very high97.8Very high0 Ų013.2 Ų13.20%09%0.085CC..  trans-70.9114.9172.5-165.50000109.8R274 I276 G311 M312 I313 V314R274-C306 PolarHBondContact O-SG 3.03Å; R274-C306 VanDerWaalsContact O-SG 3.41Å; I276-C306 HydrophobicContact CB-CB 3.93Å; I276-C306 HydrophobicContact CD1-CB 4.01Å; I276-C306 HydrophobicContact CG1-CB 4.12Å; I276-C306 PolarHBondContact N-SG 2.9Å; C306-G311 WeakPolarHBondContact CB-O 3.25Å; C306-M312 CarbonylContact O-C 3.5Å; C306-M312 WeakPolarHBondContact O-CA 3.27Å; C306-I313 HydrophobicContact CB-CD1 3.77Å; C306-I313 HydrophobicContact CB-CG1 4.39Å; C306-I313 PolarHBondContact O-N 2.94Å; C306-V314 PolarHBondContact O-N 2.97Å
307T98.1Very high97.9Very high6 Ų616.2 Ų16.24%0.03710%0.098CC..  trans-112.5-2.9-177.255.20000113.1R271 P272 L273 R274 A305 V314R271-T307 HydrophobicContact CB-CG2 4.03Å; P272-T307 PolarHBondContact O-OG1 3.18Å; L273-T307 WeakPolarHBondContact CA-OG1 3.49Å; R274-T307 PolarHBondContact N-OG1 2.81Å; R274-T307 PolarHBondContact O-N 2.99Å; A305-T307 PolarHBondContact O-N 3.46Å; T307-V314 WeakPolarHBondContact CA-O 3.26Å; T307-V314 HydrophobicContact CG2-CG1 3.91Å
308Y97.2Very high97.8Very high54 Ų5420.2 Ų20.221%0.21212%0.12CC..SBendtrans-144.8130.9-173.6-163.7-118.9000112.2R174 T195 L273 R274 C275R174-Y308 HydrophobicContact CG-CD1 3.91Å; R174-Y308 HydrophobicContact CG-CE1 3.55Å; T195-Y308 HydrophobicContact CG2-CD1 4.18Å; T195-Y308 HydrophobicContact CG2-CE1 3.31Å; T195-Y308 HydrophobicContact CG2-CE2 3.92Å; T195-Y308 WeakPolarHBondContact CG2-OH 3.47Å; L273-Y308 HydrophobicContact CB-CD2 4.42Å; L273-Y308 HydrophobicContact CB-CG 4.14Å; L273-Y308 HydrophobicContact CD1-CD2 4.23Å; L273-Y308 HydrophobicContact CD1-CE2 4.22Å; L273-Y308 HydrophobicContact CD2-CD2 4.06Å; L273-Y308 HydrophobicContact CG-CD2 4.48Å; R274-Y308 PolarHBondContact O-N 2.79Å; R274-Y308 VanDerWaalsContact O-N 3.14Å; C275-Y308 VanDerWaalsContact CA-O 3.32Å; C275-Y308 WeakPolarHBondContact CA-O 3.33Å; C275-Y308 HydrophobicContact CB-CD1 4.29Å
309G97.6Very high97.7Very high27 Ų2729.6 Ų29.628%0.27816%0.155SC..SBendtrans85.2-159.5173.900000115.7G194 M312G194-G309 WeakPolarHBondContact O-CA 3.42Å; G309-M312 WeakPolarHBondContact O-CB 3.34Å
310P97.7Very high97.5Very high22 Ų2233.4 Ų33.414%0.14318%0.175CC..THydrogen-bonded Turntrans-59146.9174.4-19.932.2000111.4E197 G277 M312 F342E197-P310 HydrophobicContact CG-CB 4.15Å; E197-P310 HydrophobicContact CG-CG 3.68Å; G277-P310 WeakPolarHBondContact CA-O 3.46Å; P310-M312 VanDerWaalsContact C-N 3.28Å; P310-M312 PolarHBondContact O-N 3Å; P310-F342 HydrophobicContact CB-CD1 4.49Å; P310-F342 HydrophobicContact CB-CD2 3.88Å; P310-F342 HydrophobicContact CB-CE1 4.13Å; P310-F342 HydrophobicContact CB-CE2 3.45Å; P310-F342 VanDerWaalsContact CB-CE2 3.45Å; P310-F342 HydrophobicContact CB-CG 4.37Å; P310-F342 HydrophobicContact CB-CZ 3.58Å; P310-F342 HydrophobicContact CG-CE2 4.46Å
311G97.6Very high97.4Very high6 Ų638.1 Ų38.16%0.06221%0.205CC..THydrogen-bonded Turntrans72.514.5-179.400000115.3C306 I313 F343C306-G311 WeakPolarHBondContact CB-O 3.25Å; G311-I313 PolarHBondContact O-N 2.9Å; G311-F343 WeakPolarHBondContact O-CE2 3.38Å
312M98.2Very high97.3Very high53 Ų5338.7 Ų38.726%0.26121%0.209SC..  trans-57.5129.7178.2-168.1168.281.200111.8C306 G309 P310 V314 Y335 A339C306-M312 CarbonylContact O-C 3.5Å; C306-M312 WeakPolarHBondContact O-CA 3.27Å; G309-M312 WeakPolarHBondContact O-CB 3.34Å; P310-M312 VanDerWaalsContact C-N 3.28Å; P310-M312 PolarHBondContact O-N 3Å; M312-V314 WeakPolarHBondContact CG-O 3.42Å; M312-Y335 HydrophobicContact CE-CD1 3.54Å; M312-Y335 HydrophobicContact CE-CE1 3.11Å; M312-Y335 HydrophobicContact CE-CG 4.41Å; M312-Y335 WeakPolarHBondContact O-CB 3.32Å; M312-A339 WeakPolarHBondContact O-CB 3.46Å
313I98.2Very high97.2Very high6 Ų639.6 Ų39.63%0.03121%0.212CC..  trans-102.7-35.7-176-70.7145000111.3A305 C306 G311 Y335 A339 F343 T367 E371 M372A305-I313 HydrophobicContact CB-CB 4.29Å; A305-I313 HydrophobicContact CB-CG2 4.16Å; C306-I313 HydrophobicContact CB-CD1 3.77Å; C306-I313 HydrophobicContact CB-CG1 4.39Å; C306-I313 PolarHBondContact O-N 2.94Å; G311-I313 PolarHBondContact O-N 2.9Å; I313-Y335 WeakPolarHBondContact O-CB 3.43Å; I313-Y335 WeakPolarHBondContact O-CD2 3.27Å; I313-A339 HydrophobicContact CG1-CB 4.45Å; I313-F343 HydrophobicContact CD1-CE2 4.42Å; I313-T367 WeakPolarHBondContact CD1-O 3.28Å; I313-E371 HydrophobicContact CG1-CB 4.4Å; I313-E371 HydrophobicContact CG1-CG 4.35Å; I313-M372 HydrophobicContact CD1-CE 4.34Å
314V98Very high97.2Very high5 Ų540.8 Ų40.83%0.0322%0.218CC..SBendtrans-146157.418067.60000109.8A305 C306 T307 M312 I322A305-V314 HydrophobicContact CB-CG1 3.87Å; C306-V314 PolarHBondContact O-N 2.97Å; T307-V314 WeakPolarHBondContact CA-O 3.26Å; T307-V314 HydrophobicContact CG2-CG1 3.91Å; M312-V314 WeakPolarHBondContact CG-O 3.42Å; V314-I322 HydrophobicContact CB-CG1 4.31Å; V314-I322 HydrophobicContact CG1-CG1 4.17Å; V314-I322 HydrophobicContact CG2-CG1 4.18Å
315G96.9Very high97Very high7 Ų742.9 Ų42.97%0.07222%0.222CC..  trans-71.1169.3169.700000112.2R271R271-G315 PolarHBondContact NH1-O 2.85Å; R271-G315 VanDerWaalsContact NH1-O 3.08Å
316D96.3Very high96.8Very high57 Ų5748.3 Ų48.331%0.30525%0.246SC..SBendtrans-75.1-31.917756.3-19.2000112.8H270 R271 L273 L318H270-D316 CarbonylContact C-O 3.44Å; H270-D316 WeakPolarHBondContact CA-O 3.2Å; H270-D316 HydrophobicContact CB-CB 4.45Å; H270-D316 IonicContact CD2-OD2 3.31Å; H270-D316 PolarHBondContact CD2-OD2 3.43Å; R271-D316 PolarHBondContact N-O 2.84Å; L273-D316 HydrophobicContact CD2-CB 3.93Å; D316-L318 PolarHBondContact O-N 2.69Å
317E96.6Very high96.7Very high62 Ų6250.3 Ų50.329%0.2926%0.257SS..BIsolated β-bridgetrans-59.5118.7178.5-61.6-179.9-168.700113.9R271 R319 L320R271-E317 PolarHBondContact NH1-O 2.94Å; E317-R319 VanDerWaalsContact C-N 3.27Å; E317-R319 HydrophobicContact CB-CG 4.28Å; E317-R319 PolarHBondContact O-N 2.84Å; E317-R319 IonicContact OE1-NH2 3.18Å; E317-R319 IonicContact OE2-CZ 3.38Å; E317-R319 IonicContact OE2-NE 2.88Å; E317-R319 PolarHBondContact OE2-NE 2.92Å; E317-R319 IonicContact OE2-NH2 2.58Å; E317-R319 PolarHBondContact OE2-NH2 2.97Å; E317-L320 PolarHBondContact O-N 2.81Å
318L96.2Very high96.5Very high85 Ų8551.8 Ų51.845%0.44526%0.264SS..THydrogen-bonded Turntrans-64.5-27-177.4-77.6170.7000114P268 T269 R271 D316 L320P268-L318 WeakPolarHBondContact O-CD1 3.45Å; T269-L318 WeakPolarHBondContact O-CB 3.42Å; T269-L318 PolarHBondContact O-N 2.84Å; R271-L318 HydrophobicContact CG-CD2 3.5Å; R271-L318 VanDerWaalsContact CG-CD2 3.5Å; R271-L318 HydrophobicContact CG-CG 4.18Å; D316-L318 PolarHBondContact O-N 2.69Å; L318-L320 PolarHBondContact O-N 3.38Å; L318-L320 VanDerWaalsContact O-N 3.17Å
319R96.2Very high96.2Very high197 Ų19757.5 Ų57.574%0.74329%0.29SS*.THydrogen-bonded Turntrans-61.6-22177.470.6177.3178.61400.3113.2E317E317-R319 VanDerWaalsContact C-N 3.27Å; E317-R319 HydrophobicContact CB-CG 4.28Å; E317-R319 PolarHBondContact O-N 2.84Å; E317-R319 IonicContact OE1-NH2 3.18Å; E317-R319 IonicContact OE2-CZ 3.38Å; E317-R319 IonicContact OE2-NE 2.88Å; E317-R319 PolarHBondContact OE2-NE 2.92Å; E317-R319 IonicContact OE2-NH2 2.58Å; E317-R319 PolarHBondContact OE2-NH2 2.97Å
320L95Very high96Very high79 Ų7962 Ų6241%0.41430%0.304SS..SBendtrans-92.3117.1175.3-59.9179.5000107.8R271 E317 L318R271-L320 PolarHBondContact NH1-O 3.15Å; R271-L320 PolarHBondContact NH2-O 3.43Å; E317-L320 PolarHBondContact O-N 2.81Å; L318-L320 PolarHBondContact O-N 3.38Å; L318-L320 VanDerWaalsContact O-N 3.17Å
321P96Very high95.7Very high99 Ų9965.6 Ų65.664%0.64332%0.322SS*.PPolyproline II helixtrans-69.3161.3179.829.8-35000111.3
322I97.3Very high95.6Very high13 Ų1368.5 Ų68.57%0.06735%0.345CS..PPolyproline II helixtrans-72.2142.9164.8-54.9179.4000107.7A305 V314 D365 Q366A305-I322 HydrophobicContact CB-CD1 4.29Å; V314-I322 HydrophobicContact CB-CG1 4.31Å; V314-I322 HydrophobicContact CG1-CG1 4.17Å; V314-I322 HydrophobicContact CG2-CG1 4.18Å; I322-D365 HydrophobicContact CD1-CB 4.48Å; I322-Q366 HydrophobicContact CD1-CB 4.19Å; I322-Q366 VanDerWaalsContact CD1-O 3.22Å; I322-Q366 WeakPolarHBondContact CD1-O 3.21Å; I322-Q366 HydrophobicContact CG2-CB 3.91Å
323R96.9Very high95.5Very high18 Ų1866.9 Ų66.97%0.06834%0.338CS..PPolyproline II helixtrans-51.7141.1-17974.8-65.6173.5-86.87.9113.5D327 V333 M336 Q366 H370 E371 D611R323-D327 HydrophobicContact CB-CB 4.4Å; R323-V333 HydrophobicContact CB-CG1 3.94Å; R323-V333 HydrophobicContact CG-CG1 4.39Å; R323-M336 HydrophobicContact CG-CE 3.75Å; R323-Q366 VanDerWaalsContact NH1-CD 3.27Å; R323-Q366 PolarHBondContact O-NE2 3.31Å; R323-H370 VanDerWaalsContact NH2-CB 3.34Å; R323-E371 IonicContact CZ-OE1 3.07Å; R323-E371 IonicContact CZ-OE2 3.51Å; R323-E371 IonicContact NE-OE1 2.71Å; R323-E371 PolarHBondContact NE-OE1 2.84Å; R323-E371 IonicContact NE-OE2 3.46Å; R323-E371 PolarHBondContact NE-OE2 3.3Å; R323-E371 IonicContact NH2-OE1 2.67Å; R323-E371 IonicContact NH2-OE2 2.67Å; R323-E371 PolarHBondContact NH2-OE2 2.76Å; R323-D611 IonicContact CZ-OD1 3.54Å; R323-D611 IonicContact NH1-OD1 2.61Å; R323-D611 IonicContact NH2-OD1 2.66Å; R323-D611 PolarHBondContact NH2-OD1 3.16Å
324S97Very high95.3Very high42 Ų4274.8 Ų74.829%0.29437%0.372SS..  trans-108.2171.7171.969.40000111.5H326 D327 I328S324-H326 PolarHBondContact O-N 2.75Å; S324-H326 PolarHBondContact OG-N 2.66Å; S324-D327 WeakPolarHBondContact CB-OD2 3.48Å; S324-D327 PolarHBondContact N-OD2 3.01Å; S324-D327 PolarHBondContact O-N 2.89Å; S324-D327 VanDerWaalsContact OG-CG 3.25Å; S324-D327 PolarHBondContact OG-N 3.34Å; S324-D327 PolarHBondContact OG-OD2 3Å; S324-I328 WeakPolarHBondContact O-CG1 3.39Å; S324-I328 PolarHBondContact O-N 3.33Å; S324-I328 VanDerWaalsContact O-N 3.08Å
325W94.5Very high95.3Very high55 Ų5577 Ų7721%0.20838%0.38CS..Hα-helixtrans-61.2-29.6171-80116.2000113.2I328 K329 H370 V605 S608 P610 S613W325-I328 HydrophobicContact CD2-CD1 4.25Å; W325-I328 HydrophobicContact CE3-CB 4.44Å; W325-I328 HydrophobicContact CE3-CD1 3.75Å; W325-I328 HydrophobicContact CZ3-CD1 4.03Å; W325-I328 PolarHBondContact O-N 3.14Å; W325-K329 WeakPolarHBondContact O-CB 3.42Å; W325-K329 PolarHBondContact O-N 2.83Å; W325-H370 AromaticContact CH2-CE1 3.66Å; W325-V605 HydrophobicContact CB-CG2 4.39Å; W325-V605 HydrophobicContact CD2-CB 4.04Å; W325-V605 HydrophobicContact CD2-CG2 3.8Å; W325-V605 HydrophobicContact CE3-CG2 4.26Å; W325-V605 HydrophobicContact CG-CB 4.1Å; W325-V605 HydrophobicContact CG-CG2 3.85Å; W325-V605 HydrophobicContact CH2-CG1 4.46Å; W325-V605 HydrophobicContact CZ2-CB 4.2Å; W325-V605 HydrophobicContact CZ2-CG1 3.87Å; W325-S608 VanDerWaalsContact CD1-O 3.25Å; W325-P610 HydrophobicContact CD2-CG 4.22Å; W325-P610 HydrophobicContact CG-CG 4.12Å; W325-S613 PolarHBondContact NE1-OG 3.17Å
326H93.8Very high95.3Very high121 Ų12177.4 Ų77.456%0.5638%0.381SS*.Hα-helixtrans-65.9-46.4174.4-175.858.5000110.8S324 I328 K329 E330S324-H326 PolarHBondContact O-N 2.75Å; S324-H326 PolarHBondContact OG-N 2.66Å; H326-I328 VanDerWaalsContact C-N 3.29Å; H326-I328 PolarHBondContact O-N 2.83Å; H326-K329 PolarHBondContact O-N 2.94Å; H326-K329 VanDerWaalsContact O-N 3.15Å; H326-E330 WeakPolarHBondContact O-CG 3.2Å; H326-E330 PolarHBondContact O-N 3Å
327D95.3Very high95.4Very high42 Ų4281.1 Ų81.123%0.22539%0.394CS..Hα-helixtrans-62.2-37.5177.5-54.1-51.9000111.9R323 S324 D331 A332 V333R323-D327 HydrophobicContact CB-CB 4.4Å; S324-D327 WeakPolarHBondContact CB-OD2 3.48Å; S324-D327 PolarHBondContact N-OD2 3.01Å; S324-D327 PolarHBondContact O-N 2.89Å; S324-D327 VanDerWaalsContact OG-CG 3.25Å; S324-D327 PolarHBondContact OG-N 3.34Å; S324-D327 PolarHBondContact OG-OD2 3Å; D327-D331 PolarHBondContact O-N 2.84Å; D327-A332 HydrophobicContact CB-CB 4.29Å; D327-A332 PolarHBondContact O-N 3.41Å; D327-V333 HydrophobicContact CB-CG1 4.19Å
328I93.8Very high95.4Very high38 Ų3886.6 Ų86.620%0.19542%0.417CS..Hα-helixtrans-63.4-45.5175.4-63.4169.4000110.6S324 W325 H326 E330 D331 V333 M336 P610S324-I328 WeakPolarHBondContact O-CG1 3.39Å; S324-I328 PolarHBondContact O-N 3.33Å; S324-I328 VanDerWaalsContact O-N 3.08Å; W325-I328 HydrophobicContact CD2-CD1 4.25Å; W325-I328 HydrophobicContact CE3-CB 4.44Å; W325-I328 HydrophobicContact CE3-CD1 3.75Å; W325-I328 HydrophobicContact CZ3-CD1 4.03Å; W325-I328 PolarHBondContact O-N 3.14Å; H326-I328 VanDerWaalsContact C-N 3.29Å; H326-I328 PolarHBondContact O-N 2.83Å; I328-E330 VanDerWaalsContact C-N 3.34Å; I328-E330 PolarHBondContact O-N 2.86Å; I328-D331 PolarHBondContact O-N 3.44Å; I328-D331 VanDerWaalsContact O-N 3.16Å; I328-V333 HydrophobicContact CB-CG1 4.43Å; I328-V333 HydrophobicContact CG1-CG1 3.86Å; I328-M336 HydrophobicContact CD1-CE 3.32Å; I328-M336 HydrophobicContact CD1-SD 4.21Å; I328-M336 HydrophobicContact CG1-CE 3.41Å; I328-M336 VanDerWaalsContact CG1-CE 3.41Å; I328-M336 HydrophobicContact CG1-SD 3.99Å; I328-M336 HydrophobicContact CG2-SD 4.45Å; I328-P610 HydrophobicContact CD1-CB 4.04Å; I328-P610 HydrophobicContact CD1-CG 3.72Å
329K90.4Very high95.5Very high173 Ų17382.6 Ų82.675%0.75240%0.396SS*.Hα-helixtrans-64.1-38.9-178.1-174.9-179.6175.7-175.10112.1W325 H326 D331W325-K329 WeakPolarHBondContact O-CB 3.42Å; W325-K329 PolarHBondContact O-N 2.83Å; H326-K329 PolarHBondContact O-N 2.94Å; H326-K329 VanDerWaalsContact O-N 3.15Å; K329-D331 PolarHBondContact O-N 2.96Å
330E93.5Very high95.6Very high122 Ų12274.7 Ų74.757%0.5737%0.37SS*.THydrogen-bonded Turntrans-83.97177.7-58.7-58.213900113.2H326 I328 A332H326-E330 WeakPolarHBondContact O-CG 3.2Å; H326-E330 PolarHBondContact O-N 3Å; I328-E330 VanDerWaalsContact C-N 3.34Å; I328-E330 PolarHBondContact O-N 2.86Å; E330-A332 PolarHBondContact O-N 2.75Å; E330-A332 VanDerWaalsContact O-N 3.14Å
331D92.8Very high95.7Very high98 Ų9877.3 Ų77.352%0.52438%0.378SS..THydrogen-bonded Turntrans53.126.1-173.6-156.134.7000114.1D327 I328 K329 V333 K337D327-D331 PolarHBondContact O-N 2.84Å; I328-D331 PolarHBondContact O-N 3.44Å; I328-D331 VanDerWaalsContact O-N 3.16Å; K329-D331 PolarHBondContact O-N 2.96Å; D331-V333 PolarHBondContact O-N 3.22Å; D331-K337 VanDerWaalsContact CG-NZ 3.31Å; D331-K337 VanDerWaalsContact OD1-CE 3.3Å; D331-K337 WeakPolarHBondContact OD1-CE 3.32Å; D331-K337 IonicContact OD1-NZ 3.88Å; D331-K337 PolarHBondContact OD1-NZ 3.36Å; D331-K337 IonicContact OD2-NZ 3.68Å; D331-K337 PolarHBondContact OD2-NZ 3.43Å
332A94.7Very high95.9Very high67 Ų6773.3 Ų73.355%0.55435%0.35SS*.  trans-8235.7177.600000112.7D327 E330D327-A332 HydrophobicContact CB-CB 4.29Å; D327-A332 PolarHBondContact O-N 3.41Å; E330-A332 PolarHBondContact O-N 2.75Å; E330-A332 VanDerWaalsContact O-N 3.14Å
333V95.3Very high95.9Very high18 Ų1872.7 Ų72.711%0.10935%0.347CS..  trans-114.780.4-170.5-73.60000113.1R323 D327 I328 D331 Y335 M336R323-V333 HydrophobicContact CB-CG1 3.94Å; R323-V333 HydrophobicContact CG-CG1 4.39Å; D327-V333 HydrophobicContact CB-CG1 4.19Å; I328-V333 HydrophobicContact CB-CG1 4.43Å; I328-V333 HydrophobicContact CG1-CG1 3.86Å; D331-V333 PolarHBondContact O-N 3.22Å; V333-Y335 VanDerWaalsContact C-N 3.27Å; V333-Y335 PolarHBondContact O-N 3.33Å; V333-Y335 VanDerWaalsContact O-N 3.12Å; V333-M336 HydrophobicContact CB-CB 3.91Å; V333-M336 HydrophobicContact CG1-CE 4.39Å; V333-M336 HydrophobicContact CG2-CB 4.22Å; V333-M336 HydrophobicContact CG2-SD 4.36Å
334K95.8Very high96Very high172 Ų17274 Ų7475%0.74836%0.356SS*.THydrogen-bonded Turntrans-53.4-36.3-175-175.6178.9174-1660115.1
335Y97.3Very high96Very high51 Ų5176.4 Ų76.420%0.236%0.362CS..THydrogen-bonded Turntrans-108.2-28-169.1-57.5-61000114.6M312 I313 V333 K337 K338 A339M312-Y335 HydrophobicContact CE-CD1 3.54Å; M312-Y335 HydrophobicContact CE-CE1 3.11Å; M312-Y335 HydrophobicContact CE-CG 4.41Å; M312-Y335 WeakPolarHBondContact O-CB 3.32Å; I313-Y335 WeakPolarHBondContact O-CB 3.43Å; I313-Y335 WeakPolarHBondContact O-CD2 3.27Å; V333-Y335 VanDerWaalsContact C-N 3.27Å; V333-Y335 PolarHBondContact O-N 3.33Å; V333-Y335 VanDerWaalsContact O-N 3.12Å; Y335-K337 PolarHBondContact O-N 2.99Å; Y335-K338 PolarHBondContact O-N 3.06Å; Y335-A339 PolarHBondContact O-N 3.15Å
336M97.3Very high96.2Very high17 Ų1774 Ų748%0.08435%0.353CS..Hα-helixtrans-51.8-56.6-168.1176.2-179.8-79.700113.1R323 I328 V333 K338 A339 T340 E371R323-M336 HydrophobicContact CG-CE 3.75Å; I328-M336 HydrophobicContact CD1-CE 3.32Å; I328-M336 HydrophobicContact CD1-SD 4.21Å; I328-M336 HydrophobicContact CG1-CE 3.41Å; I328-M336 VanDerWaalsContact CG1-CE 3.41Å; I328-M336 HydrophobicContact CG1-SD 3.99Å; I328-M336 HydrophobicContact CG2-SD 4.45Å; V333-M336 HydrophobicContact CB-CB 3.91Å; V333-M336 HydrophobicContact CG1-CE 4.39Å; V333-M336 HydrophobicContact CG2-CB 4.22Å; V333-M336 HydrophobicContact CG2-SD 4.36Å; M336-K338 VanDerWaalsContact C-N 3.26Å; M336-K338 PolarHBondContact O-N 2.94Å; M336-A339 PolarHBondContact O-N 3.03Å; M336-A339 VanDerWaalsContact O-N 3.09Å; M336-T340 PolarHBondContact O-N 3.04Å; M336-T340 PolarHBondContact O-OG1 3.39Å; M336-T340 VanDerWaalsContact O-OG1 3.08Å; M336-E371 HydrophobicContact CG-CG 4.17Å
337K96.7Very high96.4Very high135 Ų13568.2 Ų68.259%0.58733%0.326SS*.Hα-helixtrans-57.1-39-174.9-66.1176.6-174.8164.20112.5D331 Y335 K341D331-K337 VanDerWaalsContact CG-NZ 3.31Å; D331-K337 VanDerWaalsContact OD1-CE 3.3Å; D331-K337 WeakPolarHBondContact OD1-CE 3.32Å; D331-K337 IonicContact OD1-NZ 3.88Å; D331-K337 PolarHBondContact OD1-NZ 3.36Å; D331-K337 IonicContact OD2-NZ 3.68Å; D331-K337 PolarHBondContact OD2-NZ 3.43Å; Y335-K337 PolarHBondContact O-N 2.99Å; K337-K341 WeakPolarHBondContact O-CB 3.5Å; K337-K341 PolarHBondContact O-N 3.03Å
338K97.6Very high96.5Very high177 Ų17771.2 Ų71.277%0.7734%0.339SS*.Hα-helixtrans-73.9-39.4178.7-172.9178.7178.4-177.80111.8Y335 M336 F342Y335-K338 PolarHBondContact O-N 3.06Å; M336-K338 VanDerWaalsContact C-N 3.26Å; M336-K338 PolarHBondContact O-N 2.94Å; K338-F342 WeakPolarHBondContact O-CB 3.48Å; K338-F342 PolarHBondContact O-N 3Å
339A98.3Very high96.7Very high1 Ų172 Ų721%0.00834%0.34CS..Hα-helixtrans-66.8-48.7177.600000112M312 I313 Y335 M336 K341 F342 F343 E371M312-A339 WeakPolarHBondContact O-CB 3.46Å; I313-A339 HydrophobicContact CG1-CB 4.45Å; Y335-A339 PolarHBondContact O-N 3.15Å; M336-A339 PolarHBondContact O-N 3.03Å; M336-A339 VanDerWaalsContact O-N 3.09Å; A339-K341 PolarHBondContact O-N 3.11Å; A339-F342 WeakPolarHBondContact O-CB 3.33Å; A339-F342 PolarHBondContact O-N 2.61Å; A339-F342 VanDerWaalsContact O-N 3.13Å; A339-F343 HydrophobicContact CB-CE2 4.33Å; A339-F343 WeakPolarHBondContact O-CD2 3.35Å; A339-F343 PolarHBondContact O-N 3.11Å; A339-E371 HydrophobicContact CB-CB 4.11Å; A339-E371 HydrophobicContact CB-CG 3.93Å
340T97.9Very high97Very high31 Ų3163.7 Ų63.719%0.1930%0.304CS..Hα-helixtrans-55.3-49.9176.5-55.80000111.1M336 F342 F343 D344M336-T340 PolarHBondContact O-N 3.04Å; M336-T340 PolarHBondContact O-OG1 3.39Å; M336-T340 VanDerWaalsContact O-OG1 3.08Å; T340-F342 VanDerWaalsContact C-N 3.3Å; T340-F342 PolarHBondContact O-N 2.86Å; T340-F343 PolarHBondContact O-N 3.28Å; T340-D344 WeakPolarHBondContact O-CB 3.46Å; T340-D344 PolarHBondContact O-N 3.28Å
341K98.2Very high97.2Very high134 Ų13458.3 Ų58.358%0.58328%0.279SS*.Hα-helixtrans-56.9-43.6177.7-178.2178.2175.5179.80112.4K337 A339 D344 E345K337-K341 WeakPolarHBondContact O-CB 3.5Å; K337-K341 PolarHBondContact O-N 3.03Å; A339-K341 PolarHBondContact O-N 3.11Å; K341-D344 PolarHBondContact O-N 3.35Å; K341-E345 WeakPolarHBondContact CE-OE1 3.36Å; K341-E345 WeakPolarHBondContact O-CG 3.29Å; K341-E345 PolarHBondContact O-N 3.2Å; K341-E345 VanDerWaalsContact O-N 3.08Å
342F98.4Very high97.4Very high14 Ų1460.7 Ų60.76%0.06129%0.285CS..Hα-helixtrans-63-46.4179.3173-94.6000112.1E197 G277 N281 P310 K338 A339 T340 E345 M346E197-F342 HydrophobicContact CG-CE2 3.98Å; G277-F342 VanDerWaalsContact CA-CE1 3.48Å; G277-F342 WeakPolarHBondContact O-CZ 3.37Å; N281-F342 HydrophobicContact CB-CZ 4.26Å; P310-F342 HydrophobicContact CB-CD1 4.49Å; P310-F342 HydrophobicContact CB-CD2 3.88Å; P310-F342 HydrophobicContact CB-CE1 4.13Å; P310-F342 HydrophobicContact CB-CE2 3.45Å; P310-F342 VanDerWaalsContact CB-CE2 3.45Å; P310-F342 HydrophobicContact CB-CG 4.37Å; P310-F342 HydrophobicContact CB-CZ 3.58Å; P310-F342 HydrophobicContact CG-CE2 4.46Å; K338-F342 WeakPolarHBondContact O-CB 3.48Å; K338-F342 PolarHBondContact O-N 3Å; A339-F342 WeakPolarHBondContact O-CB 3.33Å; A339-F342 PolarHBondContact O-N 2.61Å; A339-F342 VanDerWaalsContact O-N 3.13Å; T340-F342 VanDerWaalsContact C-N 3.3Å; T340-F342 PolarHBondContact O-N 2.86Å; F342-E345 PolarHBondContact O-N 2.91Å; F342-M346 HydrophobicContact CE1-CG 4.07Å; F342-M346 HydrophobicContact CE2-CE 4.27Å; F342-M346 HydrophobicContact CZ-CG 4.06Å; F342-M346 HydrophobicContact CZ-SD 4.38Å; F342-M346 WeakPolarHBondContact O-CG 3.22Å; F342-M346 PolarHBondContact O-N 3.19Å; F342-M346 VanDerWaalsContact O-N 3.13Å
343F98.6Very high97.5Very high0 Ų058 Ų580%026%0.261CS..Hα-helixtrans-70.3-32.5179-67.3-59.4000112.6L280 G311 I313 A339 T340 M346 A347 E371 M372 L375L280-F343 HydrophobicContact CD1-CD1 4.06Å; L280-F343 HydrophobicContact CD1-CE1 3.82Å; G311-F343 WeakPolarHBondContact O-CE2 3.38Å; I313-F343 HydrophobicContact CD1-CE2 4.42Å; A339-F343 HydrophobicContact CB-CE2 4.33Å; A339-F343 WeakPolarHBondContact O-CD2 3.35Å; A339-F343 PolarHBondContact O-N 3.11Å; T340-F343 PolarHBondContact O-N 3.28Å; F343-M346 PolarHBondContact O-N 3.2Å; F343-A347 WeakPolarHBondContact O-CB 3.5Å; F343-A347 PolarHBondContact O-N 3.29Å; F343-E371 HydrophobicContact CD2-CB 4.16Å; F343-E371 HydrophobicContact CE2-CB 4.43Å; F343-M372 HydrophobicContact CD1-CG 3.98Å; F343-M372 HydrophobicContact CD2-CG 3.59Å; F343-M372 HydrophobicContact CE1-CG 3.92Å; F343-M372 HydrophobicContact CE1-SD 4.18Å; F343-M372 HydrophobicContact CE2-CG 3.53Å; F343-M372 HydrophobicContact CE2-SD 4.37Å; F343-M372 HydrophobicContact CG-CG 3.83Å; F343-M372 HydrophobicContact CZ-CG 3.69Å; F343-M372 HydrophobicContact CZ-SD 4Å; F343-L375 HydrophobicContact CB-CD1 4.43Å; F343-L375 HydrophobicContact CB-CD2 4.35Å; F343-L375 HydrophobicContact CB-CG 4.24Å; F343-L375 HydrophobicContact CD1-CD1 3.88Å; F343-L375 HydrophobicContact CG-CD1 4.39Å; F343-L375 WeakPolarHBondContact O-CD2 3.49Å
344D98Very high97.5Very high47 Ų4757.1 Ų57.125%0.25126%0.256SS..Hα-helixtrans-61.2-43.9172-71.2-13.4000111.6T340 K341 M346 A347 Q348 N374T340-D344 WeakPolarHBondContact O-CB 3.46Å; T340-D344 PolarHBondContact O-N 3.28Å; K341-D344 PolarHBondContact O-N 3.35Å; D344-M346 VanDerWaalsContact C-N 3.33Å; D344-M346 PolarHBondContact O-N 3.01Å; D344-A347 WeakPolarHBondContact O-CB 3.49Å; D344-A347 PolarHBondContact O-N 3.08Å; D344-Q348 WeakPolarHBondContact O-CG 3.39Å; D344-Q348 PolarHBondContact O-N 2.74Å; D344-N374 WeakPolarHBondContact OD1-CB 3.33Å; D344-N374 PolarHBondContact OD1-ND2 3.12Å
345E98Very high97.6Very high91 Ų9148.9 Ų48.943%0.42522%0.22SC..Hα-helixtrans-62.7-39.5175.4-73173.1-17100111.7K341 F342 R349K341-E345 WeakPolarHBondContact CE-OE1 3.36Å; K341-E345 WeakPolarHBondContact O-CG 3.29Å; K341-E345 PolarHBondContact O-N 3.2Å; K341-E345 VanDerWaalsContact O-N 3.08Å; F342-E345 PolarHBondContact O-N 2.91Å; E345-R349 WeakPolarHBondContact O-CG 3.38Å; E345-R349 PolarHBondContact O-N 3.48Å; E345-R349 VanDerWaalsContact O-N 3.15Å
346M97.8Very high97.7Very high4 Ų446.5 Ų46.52%0.0221%0.21CC..Hα-helixtrans-66-42.2174.4-67.3-53.2101.200112.1N281 F342 F343 D344 Q348 R349 A350 L375N281-M346 HydrophobicContact CB-SD 4.1Å; F342-M346 HydrophobicContact CE1-CG 4.07Å; F342-M346 HydrophobicContact CE2-CE 4.27Å; F342-M346 HydrophobicContact CZ-CG 4.06Å; F342-M346 HydrophobicContact CZ-SD 4.38Å; F342-M346 WeakPolarHBondContact O-CG 3.22Å; F342-M346 PolarHBondContact O-N 3.19Å; F342-M346 VanDerWaalsContact O-N 3.13Å; F343-M346 PolarHBondContact O-N 3.2Å; D344-M346 VanDerWaalsContact C-N 3.33Å; D344-M346 PolarHBondContact O-N 3.01Å; M346-Q348 PolarHBondContact O-N 2.69Å; M346-R349 PolarHBondContact O-N 3.05Å; M346-R349 PolarHBondContact SD-NH1 3.07Å; M346-A350 PolarHBondContact O-N 3.01Å; M346-L375 HydrophobicContact CB-CD2 3.89Å
347A98.1Very high97.7Very high0 Ų045.7 Ų45.70%021%0.206CC..Hα-helixtrans-59.3-46.5176.900000111.2F343 D344 R349 A350 V351 N374 L375 L378F343-A347 WeakPolarHBondContact O-CB 3.5Å; F343-A347 PolarHBondContact O-N 3.29Å; D344-A347 WeakPolarHBondContact O-CB 3.49Å; D344-A347 PolarHBondContact O-N 3.08Å; A347-R349 VanDerWaalsContact C-N 3.33Å; A347-R349 PolarHBondContact O-N 2.67Å; A347-A350 PolarHBondContact O-N 2.85Å; A347-V351 WeakPolarHBondContact O-CG2 3.26Å; A347-V351 PolarHBondContact O-N 3.35Å; A347-N374 VanDerWaalsContact CB-O 3.31Å; A347-N374 WeakPolarHBondContact CB-O 3.44Å; A347-L375 HydrophobicContact CB-CD2 4.12Å; A347-L378 HydrophobicContact CB-CB 4.44Å; A347-L378 HydrophobicContact CB-CD1 3.93Å
348Q97.7Very high97.8Very high106 Ų10639.2 Ų39.250%0.49518%0.179SC..Hα-helixtrans-62-38.6177.8-69.7-66.3-1000112.7D344 M346 V351 K352D344-Q348 WeakPolarHBondContact O-CG 3.39Å; D344-Q348 PolarHBondContact O-N 2.74Å; M346-Q348 PolarHBondContact O-N 2.69Å; Q348-V351 PolarHBondContact O-N 3.44Å; Q348-K352 WeakPolarHBondContact O-CB 3.14Å; Q348-K352 PolarHBondContact O-N 3.36Å
349R97.7Very high97.9Very high53 Ų5330.8 Ų30.820%0.214%0.142CC..Hα-helixtrans-63.9-42.6173.9-71.817364-159.8-0.3111.9N281 V284 T285 E288 E345 M346 A347 K352 N353N281-R349 PolarHBondContact ND2-NH1 3.28Å; V284-R349 HydrophobicContact CG1-CB 3.84Å; T285-R349 PolarHBondContact OG1-NH2 3Å; E288-R349 IonicContact OE2-CZ 3.28Å; E288-R349 IonicContact OE2-NE 3.41Å; E288-R349 PolarHBondContact OE2-NE 2.71Å; E288-R349 IonicContact OE2-NH2 3.17Å; E288-R349 PolarHBondContact OE2-NH2 3.46Å; E345-R349 WeakPolarHBondContact O-CG 3.38Å; E345-R349 PolarHBondContact O-N 3.48Å; E345-R349 VanDerWaalsContact O-N 3.15Å; M346-R349 PolarHBondContact O-N 3.05Å; M346-R349 PolarHBondContact SD-NH1 3.07Å; A347-R349 VanDerWaalsContact C-N 3.33Å; A347-R349 PolarHBondContact O-N 2.67Å; R349-K352 PolarHBondContact O-N 3.37Å; R349-N353 PolarHBondContact O-N 2.76Å; R349-N353 PolarHBondContact O-ND2 3.08Å
350A98.1Very high97.9Very high0 Ų030.8 Ų30.80%014%0.141CC..Hα-helixtrans-64.7-44.6176.100000111.7M346 A347 K352 N353 G354 H355 I357 T379M346-A350 PolarHBondContact O-N 3.01Å; A347-A350 PolarHBondContact O-N 2.85Å; A350-K352 PolarHBondContact O-N 3.45Å; A350-N353 CarbonylContact O-C 3.57Å; A350-N353 PolarHBondContact O-N 2.74Å; A350-G354 PolarHBondContact O-N 2.78Å; A350-H355 HydrophobicContact CB-CB 4.39Å; A350-H355 PolarHBondContact O-N 2.72Å; A350-I357 HydrophobicContact CB-CD1 3.75Å; A350-I357 HydrophobicContact CB-CG1 4.06Å; A350-T379 HydrophobicContact CB-CG2 4.05Å
351V97.7Very high97.9Very high8 Ų829.5 Ų29.55%0.04813%0.134CC..Hα-helixtrans-55.4-52173.4168.70000111.1A347 Q348 N353 G354 L378 T379 A436 K459A347-V351 WeakPolarHBondContact O-CG2 3.26Å; A347-V351 PolarHBondContact O-N 3.35Å; Q348-V351 PolarHBondContact O-N 3.44Å; V351-N353 PolarHBondContact O-N 2.8Å; V351-G354 PolarHBondContact O-N 3.28Å; V351-L378 HydrophobicContact CG2-CB 3.89Å; V351-L378 WeakPolarHBondContact CG2-O 3.32Å; V351-T379 HydrophobicContact CG2-CG2 3.89Å; V351-A436 HydrophobicContact CB-CB 4.26Å; V351-A436 HydrophobicContact CG1-CB 3.37Å; V351-A436 HydrophobicContact CG2-CB 3.81Å; V351-K459 HydrophobicContact CG1-CD 4.17Å; V351-K459 VanDerWaalsContact O-CD 3.31Å; V351-K459 WeakPolarHBondContact O-CD 3.46Å; V351-K459 WeakPolarHBondContact O-CE 3.44Å; V351-K459 PolarHBondContact O-NZ 2.65Å
352K96.7Very high97.9Very high148 Ų14823.3 Ų23.364%0.64311%0.108SC*.Hα-helixtrans-53.2-42.8179.6-176.8-178176.4-172.60111.2N293 Q348 R349 A350 K459N293-K352 PolarHBondContact OD1-O 2.79Å; Q348-K352 WeakPolarHBondContact O-CB 3.14Å; Q348-K352 PolarHBondContact O-N 3.36Å; R349-K352 PolarHBondContact O-N 3.37Å; A350-K352 PolarHBondContact O-N 3.45Å; K352-K459 PolarHBondContact O-NZ 3.22Å
353N95.5Very high97.9Very high10 Ų1023.7 Ų23.75%0.05311%0.113CC..Hα-helixtrans-88-4-177.6-68.3-69.2000114.9E288 N293 R349 A350 V351 H355E288-N353 WeakPolarHBondContact CG-ND2 3.39Å; E288-N353 PolarHBondContact OE1-ND2 3.26Å; N293-N353 WeakPolarHBondContact CA-O 3.4Å; N293-N353 PolarHBondContact N-O 2.92Å; R349-N353 PolarHBondContact O-N 2.76Å; R349-N353 PolarHBondContact O-ND2 3.08Å; A350-N353 CarbonylContact O-C 3.57Å; A350-N353 PolarHBondContact O-N 2.74Å; V351-N353 PolarHBondContact O-N 2.8Å; N353-H355 PolarHBondContact O-NE2 3.18Å
354G96.2Very high97.7Very high0 Ų031.4 Ų31.40%015%0.153CC..THydrogen-bonded Turntrans80.723.317700000114.8A350 V351 N415A350-G354 PolarHBondContact O-N 2.78Å; V351-G354 PolarHBondContact O-N 3.28Å; G354-N415 WeakPolarHBondContact CA-OD1 3.41Å
355H97.8Very high97.6Very high0 Ų033.6 Ų33.60%017%0.165CC..EExtended strand (participates in β ladder)trans-102135.5-179.7-52.1139.5000111.2L287 Y291 T294 G296 A350 N353 C461L287-H355 VanDerWaalsContact C-CE1 3.47Å; L287-H355 WeakPolarHBondContact CB-CE1 3.39Å; L287-H355 PolarHBondContact O-CE1 2.85Å; Y291-H355 PolarHBondContact O-CE1 2.9Å; Y291-H355 PolarHBondContact O-NE2 2.58Å; T294-H355 PolarHBondContact O-CD2 2.66Å; T294-H355 PolarHBondContact O-NE2 3.06Å; G296-H355 CarbonylContact O-C 3.59Å; G296-H355 WeakPolarHBondContact O-CA 3.27Å; A350-H355 HydrophobicContact CB-CB 4.39Å; A350-H355 PolarHBondContact O-N 2.72Å; N353-H355 PolarHBondContact O-NE2 3.18Å; H355-C461 VanDerWaalsContact O-CB 3.24Å; H355-C461 WeakPolarHBondContact O-CB 3.44Å; H355-C461 PolarHBondContact O-SG 3.06Å
356A98.3Very high97.6Very high0 Ų030.6 Ų30.60%015%0.151CC..EExtended strand (participates in β ladder)trans-85.9148.4170.100000110.3G296 R297 I298 C461G296-A356 PolarHBondContact O-N 3.4Å; R297-A356 CarbonylContact C-O 3.47Å; R297-A356 WeakPolarHBondContact CA-O 3.11Å; R297-A356 HydrophobicContact CG-CB 4.41Å; I298-A356 PolarHBondContact N-O 2.99Å; A356-C461 HydrophobicContact CB-CB 4.12Å
357I98.7Very high97.7Very high0 Ų030.4 Ų30.40%015%0.15CC..EExtended strand (participates in β ladder)trans-122.4118.6172.1-56.1177.9000107.9L280 V284 I298 A350 L375 V376 T379 G381L280-I357 HydrophobicContact CD2-CG2 4.06Å; V284-I357 HydrophobicContact CG2-CD1 4.05Å; I298-I357 HydrophobicContact CB-CG1 4.25Å; I298-I357 HydrophobicContact CD1-CG1 4.31Å; I298-I357 CarbonylContact O-C 3.59Å; I298-I357 WeakPolarHBondContact O-CA 3.38Å; A350-I357 HydrophobicContact CB-CD1 3.75Å; A350-I357 HydrophobicContact CB-CG1 4.06Å; I357-L375 HydrophobicContact CB-CB 4.16Å; I357-L375 HydrophobicContact CD1-CB 4.3Å; I357-L375 HydrophobicContact CD1-CD2 3.72Å; I357-L375 HydrophobicContact CG2-CB 4.01Å; I357-L375 HydrophobicContact CG2-CD1 4.47Å; I357-V376 VanDerWaalsContact O-CG1 3.27Å; I357-V376 WeakPolarHBondContact O-CG1 3.47Å; I357-T379 PolarHBondContact N-OG1 3.12Å; I357-T379 VanDerWaalsContact N-OG1 3.08Å; I357-G381 WeakPolarHBondContact O-CA 3.46Å
358D98.6Very high97.7Very high0 Ų030.4 Ų30.40%015%0.15CC..EExtended strand (participates in β ladder)trans-99144.3174.2-55.1-43.1000109.7R297 I298 M299 L300 Y360 G381 H382R297-D358 IonicContact CZ-OD1 3.44Å; R297-D358 IonicContact CZ-OD2 2.71Å; R297-D358 IonicContact NE-OD1 3.98Å; R297-D358 IonicContact NE-OD2 3.33Å; R297-D358 PolarHBondContact NE-OD2 2.92Å; R297-D358 IonicContact NH2-OD1 3.31Å; R297-D358 PolarHBondContact NH2-OD1 3.18Å; R297-D358 IonicContact NH2-OD2 3.19Å; R297-D358 PolarHBondContact NH2-OD2 2.97Å; I298-D358 PolarHBondContact O-N 2.99Å; M299-D358 HydrophobicContact CG-CB 4.44Å; L300-D358 VanDerWaalsContact CB-O 3.32Å; L300-D358 WeakPolarHBondContact CB-O 3.29Å; L300-D358 PolarHBondContact N-O 2.82Å; D358-Y360 HydrophobicContact CB-CD2 4.35Å; D358-Y360 HydrophobicContact CB-CE2 3.55Å; D358-G381 WeakPolarHBondContact OD1-CA 3.26Å; D358-H382 CarbonylContact C-O 3.6Å; D358-H382 WeakPolarHBondContact CA-O 3.19Å; D358-H382 HydrophobicContact CB-CB 4.37Å; D358-H382 IonicContact OD1-CD2 3.63Å; D358-H382 IonicContact OD1-CG 2.74Å; D358-H382 PolarHBondContact OD1-N 2.92Å
359I98.7Very high97.7Very high0 Ų025.4 Ų25.40%013%0.127CC..EExtended strand (participates in β ladder)trans-123.6116.8175.2-53.6174.8000108.9L300 I302 L369 M372 L375 V376 H382 M383 I384L300-I359 HydrophobicContact CD2-CG1 4.42Å; L300-I359 WeakPolarHBondContact O-CA 3.23Å; I302-I359 HydrophobicContact CD1-CG2 3.78Å; I302-I359 HydrophobicContact CG1-CG2 4.37Å; I359-L369 HydrophobicContact CB-CD2 4.4Å; I359-L369 HydrophobicContact CG2-CD2 3.61Å; I359-M372 HydrophobicContact CD1-CB 3.73Å; I359-M372 HydrophobicContact CD1-SD 4.48Å; I359-L375 HydrophobicContact CD1-CB 4.34Å; I359-L375 HydrophobicContact CD1-CD1 4.15Å; I359-V376 HydrophobicContact CB-CG1 4.35Å; I359-V376 HydrophobicContact CD1-CG1 4.02Å; I359-V376 HydrophobicContact CG1-CG1 3.87Å; I359-H382 PolarHBondContact N-O 3.12Å; I359-M383 WeakPolarHBondContact O-CA 3.03Å; I359-I384 PolarHBondContact O-N 3.12Å
360Y98.7Very high97.7Very high0 Ų023.7 Ų23.70%012%0.121CC..EExtended strand (participates in β ladder)trans-107.798173.2-56-82.2000108.3M299 L300 F301 I302 D358 I384 F394 F398 V401M299-Y360 HydrophobicContact CB-CE2 3.9Å; M299-Y360 HydrophobicContact CG-CE2 4.08Å; L300-Y360 PolarHBondContact O-N 3.49Å; F301-Y360 WeakPolarHBondContact CA-O 3.3Å; F301-Y360 AromaticContact CD1-CD2 3.73Å; F301-Y360 HydrophobicContact CD1-CD2 3.73Å; F301-Y360 AromaticContact CD1-CG 3.81Å; F301-Y360 HydrophobicContact CD1-CG 3.81Å; F301-Y360 HydrophobicContact CE1-CD1 4.39Å; F301-Y360 AromaticContact CE1-CD2 3.4Å; F301-Y360 HydrophobicContact CE1-CD2 3.4Å; F301-Y360 AromaticContact CE1-CE2 3.96Å; F301-Y360 HydrophobicContact CE1-CE2 3.96Å; F301-Y360 AromaticContact CE1-CG 3.65Å; F301-Y360 HydrophobicContact CE1-CG 3.65Å; F301-Y360 HydrophobicContact CE2-CD2 4.24Å; F301-Y360 HydrophobicContact CG-CD2 4.28Å; F301-Y360 AromaticContact CZ-CD2 3.67Å; F301-Y360 HydrophobicContact CZ-CD2 3.67Å; F301-Y360 AromaticContact CZ-CE2 3.87Å; F301-Y360 HydrophobicContact CZ-CE2 3.87Å; F301-Y360 HydrophobicContact CZ-CG 4.37Å; I302-Y360 PolarHBondContact N-O 3.42Å; D358-Y360 HydrophobicContact CB-CD2 4.35Å; D358-Y360 HydrophobicContact CB-CE2 3.55Å; Y360-I384 HydrophobicContact CD1-CB 3.96Å; Y360-I384 HydrophobicContact CD1-CD1 3.72Å; Y360-I384 HydrophobicContact CD1-CG1 3.96Å; Y360-I384 HydrophobicContact CE1-CD1 3.5Å; Y360-I384 HydrophobicContact CE1-CG1 4.01Å; Y360-F394 HydrophobicContact CD1-CE2 4.11Å; Y360-F394 HydrophobicContact CG-CE2 4.32Å; Y360-F398 AromaticContact CD1-CD2 3.98Å; Y360-F398 HydrophobicContact CD1-CD2 3.98Å; Y360-F398 AromaticContact CE1-CD2 3.46Å; Y360-F398 HydrophobicContact CE1-CD2 3.46Å; Y360-F398 VanDerWaalsContact CE1-CD2 3.46Å; Y360-F398 AromaticContact CE1-CE2 4Å; Y360-F398 HydrophobicContact CE1-CE2 4Å; Y360-F398 HydrophobicContact CE2-CD2 4.33Å; Y360-F398 HydrophobicContact CE2-CE2 4.04Å; Y360-F398 AromaticContact CZ-CD2 3.66Å; Y360-F398 AromaticContact CZ-CE2 3.69Å; Y360-V401 HydrophobicContact CE1-CG2 4.37Å
361S98.4Very high97.7Very high5 Ų523.8 Ų23.84%0.03512%0.122CC..EExtended strand (participates in β ladder)trans-103.2107.4-173.6171.40000110.6T367 I384 M385 A386S361-T367 WeakPolarHBondContact OG-CB 3.38Å; S361-T367 WeakPolarHBondContact OG-CG2 3.48Å; S361-T367 PolarHBondContact OG-OG1 2.92Å; S361-I384 PolarHBondContact N-O 2.75Å; S361-M385 WeakPolarHBondContact O-CA 3.05Å; S361-A386 PolarHBondContact O-N 2.62Å
362C98.3Very high97.8Very high4 Ų423.4 Ų23.43%0.02712%0.119CC..EExtended strand (participates in β ladder)trans-122.297.1178.8-64.70000110.7I302 G303 A386 F389 F394I302-C362 PolarHBondContact O-N 2.89Å; G303-C362 WeakPolarHBondContact CA-O 3.41Å; C362-A386 VanDerWaalsContact CA-O 3.25Å; C362-A386 WeakPolarHBondContact CA-O 3.38Å; C362-F389 HydrophobicContact CB-CB 4.45Å; C362-F389 HydrophobicContact CB-CD1 3.59Å; C362-F389 HydrophobicContact CB-CD2 3.66Å; C362-F389 HydrophobicContact CB-CE1 3.6Å; C362-F389 HydrophobicContact CB-CE2 3.67Å; C362-F389 HydrophobicContact CB-CG 3.62Å; C362-F389 HydrophobicContact CB-CZ 3.65Å; C362-F389 WeakPolarHBondContact SG-CD1 3.35Å; C362-F389 WeakPolarHBondContact SG-CE1 3.22Å; C362-F394 VanDerWaalsContact SG-CD2 3.57Å
363A97.2Very high97.8Very high21 Ų2118.1 Ų18.117%0.17410%0.096CC..  trans-156.6154.4179.900000111.1D365 T367 A386 D387A363-D365 VanDerWaalsContact C-N 3.28Å; A363-D365 WeakPolarHBondContact CB-O 3.31Å; A363-D365 PolarHBondContact O-N 3.39Å; A363-T367 HydrophobicContact CB-CG2 3.68Å; A363-A386 PolarHBondContact N-O 3.29Å; A363-A386 VanDerWaalsContact N-O 3.16Å; A363-D387 CarbonylContact C-O 3.59Å
364L96Very high97.9Very high162 Ų16219.5 Ų19.585%0.84810%0.104SC*.SBendtrans-74.7-16.2175.6-62.2178.3000113.9D387L364-D387 HydrophobicContact CD2-CB 4.2Å
365D96.4Very high98Very high94 Ų9419.5 Ų19.550%0.50310%0.104SC..SBendtrans-127171.5178.1-159.9-11.2000108.7I322 A363I322-D365 HydrophobicContact CD1-CB 4.48Å; A363-D365 VanDerWaalsContact C-N 3.28Å; A363-D365 WeakPolarHBondContact CB-O 3.31Å; A363-D365 PolarHBondContact O-N 3.39Å
366Q98Very high98.1Very high27 Ų2719.5 Ų19.513%0.12610%0.104CC..  trans-60.8145-176.9-63.1-177.585.600112.6I322 R323 P610 D611I322-Q366 HydrophobicContact CD1-CB 4.19Å; I322-Q366 VanDerWaalsContact CD1-O 3.22Å; I322-Q366 WeakPolarHBondContact CD1-O 3.21Å; I322-Q366 HydrophobicContact CG2-CB 3.91Å; R323-Q366 VanDerWaalsContact NH1-CD 3.27Å; R323-Q366 PolarHBondContact O-NE2 3.31Å; Q366-P610 VanDerWaalsContact OE1-CD 3.25Å; Q366-D611 HydrophobicContact CB-CB 4.48Å; Q366-D611 WeakPolarHBondContact CB-OD2 3.39Å; Q366-D611 HydrophobicContact CG-CB 4.31Å
367T98.3Very high98Very high1 Ų121.1 Ų21.11%0.00611%0.113CC..  trans-111.6-6.2-178.465.20000113.4I302 A305 I313 S361 A363 M372 D611I302-T367 HydrophobicContact CD1-CG2 4.43Å; I302-T367 HydrophobicContact CG1-CG2 4.38Å; A305-T367 WeakPolarHBondContact CA-O 3.49Å; I313-T367 WeakPolarHBondContact CD1-O 3.28Å; S361-T367 WeakPolarHBondContact OG-CB 3.38Å; S361-T367 WeakPolarHBondContact OG-CG2 3.48Å; S361-T367 PolarHBondContact OG-OG1 2.92Å; A363-T367 HydrophobicContact CB-CG2 3.68Å; T367-M372 WeakPolarHBondContact O-CE 3.35Å; T367-D611 PolarHBondContact N-OD2 2.8Å
368G98.2Very high98Very high0 Ų022 Ų220%012%0.117CC..  trans89.630.4-177.200000114.1H370 E371 M372 D611G368-H370 PolarHBondContact O-N 3.3Å; G368-E371 WeakPolarHBondContact CA-OE2 2.98Å; G368-E371 PolarHBondContact O-N 2.76Å; G368-M372 VanDerWaalsContact C-CE 3.47Å; G368-M372 WeakPolarHBondContact O-CB 3.43Å; G368-M372 VanDerWaalsContact O-CE 3.27Å; G368-M372 WeakPolarHBondContact O-CE 3.45Å; G368-M372 WeakPolarHBondContact O-CG 3.15Å; G368-M372 PolarHBondContact O-N 2.88Å; G368-D611 PolarHBondContact N-OD2 2.99Å
369L98.6Very high97.9Very high0 Ų022 Ų220%012%0.117CC..Hα-helixtrans-55.1-32.7171.1-64.2-179.4000111.6I359 E371 M372 K373 M383 M385 D611I359-L369 HydrophobicContact CB-CD2 4.4Å; I359-L369 HydrophobicContact CG2-CD2 3.61Å; L369-E371 PolarHBondContact O-N 2.8Å; L369-M372 CarbonylContact O-C 3.57Å; L369-M372 PolarHBondContact O-N 3.4Å; L369-K373 WeakPolarHBondContact O-CA 3.41Å; L369-K373 WeakPolarHBondContact O-CB 3.4Å; L369-K373 PolarHBondContact O-N 3.39Å; L369-M383 HydrophobicContact CB-CE 4.41Å; L369-M383 HydrophobicContact CB-SD 4.18Å; L369-M383 HydrophobicContact CD1-CG 4.24Å; L369-M383 HydrophobicContact CD1-SD 3.95Å; L369-M383 HydrophobicContact CD2-CE 4.48Å; L369-M383 HydrophobicContact CD2-CG 4.17Å; L369-M383 HydrophobicContact CD2-SD 4.23Å; L369-M383 HydrophobicContact CG-SD 4.35Å; L369-M385 HydrophobicContact CD1-CB 4.2Å; L369-M385 HydrophobicContact CD1-CG 4.12Å; L369-M385 HydrophobicContact CD1-SD 3.93Å; L369-D611 HydrophobicContact CB-CB 3.97Å; L369-D611 HydrophobicContact CD1-CB 4.34Å; L369-D611 HydrophobicContact CG-CB 4.36Å; L369-D611 PolarHBondContact N-OD1 2.83Å; L369-D611 PolarHBondContact N-OD2 3.13Å; L369-D611 VanDerWaalsContact N-OD2 3.13Å
370H97.8Very high97.8Very high18 Ų1822.3 Ų22.38%0.08312%0.121CC..Hα-helixtrans-59-45.2177.3-167.885.7000113.3R323 W325 G368 K373 P610 D611R323-H370 VanDerWaalsContact NH2-CB 3.34Å; W325-H370 AromaticContact CH2-CE1 3.66Å; G368-H370 PolarHBondContact O-N 3.3Å; H370-K373 WeakPolarHBondContact O-CD 3.16Å; H370-K373 WeakPolarHBondContact O-CG 3.36Å; H370-P610 HydrophobicContact CB-CB 3.98Å; H370-P610 PolarHBondContact ND1-O 3.24Å; H370-D611 PolarHBondContact N-OD1 2.99Å
371E98.3Very high97.7Very high1 Ų122.5 Ų22.51%0.00512%0.123CC..Hα-helixtrans-76.1-29.9177.4-65.985.417000112.1I313 R323 M336 A339 F343 G368 L369I313-E371 HydrophobicContact CG1-CB 4.4Å; I313-E371 HydrophobicContact CG1-CG 4.35Å; R323-E371 IonicContact CZ-OE1 3.07Å; R323-E371 IonicContact CZ-OE2 3.51Å; R323-E371 IonicContact NE-OE1 2.71Å; R323-E371 PolarHBondContact NE-OE1 2.84Å; R323-E371 IonicContact NE-OE2 3.46Å; R323-E371 PolarHBondContact NE-OE2 3.3Å; R323-E371 IonicContact NH2-OE1 2.67Å; R323-E371 IonicContact NH2-OE2 2.67Å; R323-E371 PolarHBondContact NH2-OE2 2.76Å; M336-E371 HydrophobicContact CG-CG 4.17Å; A339-E371 HydrophobicContact CB-CB 4.11Å; A339-E371 HydrophobicContact CB-CG 3.93Å; F343-E371 HydrophobicContact CD2-CB 4.16Å; F343-E371 HydrophobicContact CE2-CB 4.43Å; G368-E371 WeakPolarHBondContact CA-OE2 2.98Å; G368-E371 PolarHBondContact O-N 2.76Å; L369-E371 PolarHBondContact O-N 2.8Å
372M98.6Very high97.7Very high0 Ų023 Ų230%012%0.124CC..Hα-helixtrans-92-7.9-176.5-70.7-172.9-7400114.8I276 L300 I302 I313 F343 I359 T367 G368 L369 N374 L375I276-M372 HydrophobicContact CG2-SD 4.02Å; L300-M372 HydrophobicContact CD2-SD 4.43Å; I302-M372 HydrophobicContact CD1-CE 3.63Å; I313-M372 HydrophobicContact CD1-CE 4.34Å; F343-M372 HydrophobicContact CD1-CG 3.98Å; F343-M372 HydrophobicContact CD2-CG 3.59Å; F343-M372 HydrophobicContact CE1-CG 3.92Å; F343-M372 HydrophobicContact CE1-SD 4.18Å; F343-M372 HydrophobicContact CE2-CG 3.53Å; F343-M372 HydrophobicContact CE2-SD 4.37Å; F343-M372 HydrophobicContact CG-CG 3.83Å; F343-M372 HydrophobicContact CZ-CG 3.69Å; F343-M372 HydrophobicContact CZ-SD 4Å; I359-M372 HydrophobicContact CD1-CB 3.73Å; I359-M372 HydrophobicContact CD1-SD 4.48Å; T367-M372 WeakPolarHBondContact O-CE 3.35Å; G368-M372 VanDerWaalsContact C-CE 3.47Å; G368-M372 WeakPolarHBondContact O-CB 3.43Å; G368-M372 VanDerWaalsContact O-CE 3.27Å; G368-M372 WeakPolarHBondContact O-CE 3.45Å; G368-M372 WeakPolarHBondContact O-CG 3.15Å; G368-M372 PolarHBondContact O-N 2.88Å; L369-M372 CarbonylContact O-C 3.57Å; L369-M372 PolarHBondContact O-N 3.4Å; M372-N374 PolarHBondContact O-N 2.71Å; M372-L375 HydrophobicContact CB-CD1 3.95Å; M372-L375 HydrophobicContact CG-CD1 4.12Å; M372-L375 VanDerWaalsContact O-CB 3.25Å; M372-L375 WeakPolarHBondContact O-CB 3.15Å; M372-L375 WeakPolarHBondContact O-CG 3.41Å; M372-L375 PolarHBondContact O-N 3.37Å; M372-L375 HydrophobicContact SD-CD1 4.5Å
373K97.8Very high97.7Very high37 Ų3723 Ų2316%0.16112%0.124CC..Hα-helixtrans-51.5-32.1-171.768.2-169.8175.1-166.50114.8L369 H370 L375 V376 N377 M383 A614L369-K373 WeakPolarHBondContact O-CA 3.41Å; L369-K373 WeakPolarHBondContact O-CB 3.4Å; L369-K373 PolarHBondContact O-N 3.39Å; H370-K373 WeakPolarHBondContact O-CD 3.16Å; H370-K373 WeakPolarHBondContact O-CG 3.36Å; K373-L375 VanDerWaalsContact C-N 3.29Å; K373-L375 PolarHBondContact O-N 2.95Å; K373-V376 WeakPolarHBondContact O-CG2 3.4Å; K373-V376 PolarHBondContact O-N 2.82Å; K373-N377 WeakPolarHBondContact O-CB 3.1Å; K373-N377 PolarHBondContact O-N 2.94Å; K373-N377 PolarHBondContact O-ND2 3.31Å; K373-M383 HydrophobicContact CB-CE 4.09Å; K373-A614 HydrophobicContact CB-CB 4.48Å
374N97.6Very high97.7Very high40 Ų4022 Ų2221%0.21412%0.116CC..Hα-helixtrans-75.2-17.2-178.4-74-17.5000113.5D344 A347 M372 V376 L378D344-N374 WeakPolarHBondContact OD1-CB 3.33Å; D344-N374 PolarHBondContact OD1-ND2 3.12Å; A347-N374 VanDerWaalsContact CB-O 3.31Å; A347-N374 WeakPolarHBondContact CB-O 3.44Å; M372-N374 PolarHBondContact O-N 2.71Å; N374-V376 VanDerWaalsContact C-N 3.32Å; N374-V376 PolarHBondContact O-N 2.81Å; N374-L378 HydrophobicContact CB-CD1 4.16Å; N374-L378 HydrophobicContact CB-CG 4.26Å; N374-L378 WeakPolarHBondContact O-CB 3.15Å; N374-L378 WeakPolarHBondContact O-CG 3.41Å; N374-L378 PolarHBondContact O-N 3.46Å
375L98.5Very high97.7Very high0 Ų016.5 Ų16.50%09%0.086CC..Hα-helixtrans-59.5-44.1169.6-61.7173.3000110.9L280 F343 M346 A347 I357 I359 M372 K373 T379L280-L375 HydrophobicContact CD1-CD1 3.46Å; L280-L375 VanDerWaalsContact CD1-CD1 3.46Å; F343-L375 HydrophobicContact CB-CD1 4.43Å; F343-L375 HydrophobicContact CB-CD2 4.35Å; F343-L375 HydrophobicContact CB-CG 4.24Å; F343-L375 HydrophobicContact CD1-CD1 3.88Å; F343-L375 HydrophobicContact CG-CD1 4.39Å; F343-L375 WeakPolarHBondContact O-CD2 3.49Å; M346-L375 HydrophobicContact CB-CD2 3.89Å; A347-L375 HydrophobicContact CB-CD2 4.12Å; I357-L375 HydrophobicContact CB-CB 4.16Å; I357-L375 HydrophobicContact CD1-CB 4.3Å; I357-L375 HydrophobicContact CD1-CD2 3.72Å; I357-L375 HydrophobicContact CG2-CB 4.01Å; I357-L375 HydrophobicContact CG2-CD1 4.47Å; I359-L375 HydrophobicContact CD1-CB 4.34Å; I359-L375 HydrophobicContact CD1-CD1 4.15Å; M372-L375 HydrophobicContact CB-CD1 3.95Å; M372-L375 HydrophobicContact CG-CD1 4.12Å; M372-L375 VanDerWaalsContact O-CB 3.25Å; M372-L375 WeakPolarHBondContact O-CB 3.15Å; M372-L375 WeakPolarHBondContact O-CG 3.41Å; M372-L375 PolarHBondContact O-N 3.37Å; M372-L375 HydrophobicContact SD-CD1 4.5Å; K373-L375 VanDerWaalsContact C-N 3.29Å; K373-L375 PolarHBondContact O-N 2.95Å; L375-T379 WeakPolarHBondContact O-CB 3.45Å; L375-T379 WeakPolarHBondContact O-CG2 3.36Å; L375-T379 PolarHBondContact O-OG1 2.86Å
376V98.1Very high97.8Very high0 Ų012.5 Ų12.50%07%0.066CC..Hα-helixtrans-83.6-44.1177.3-630000111.4I357 I359 K373 N374 L378 T379 G380 G381 H382 M383I357-V376 VanDerWaalsContact O-CG1 3.27Å; I357-V376 WeakPolarHBondContact O-CG1 3.47Å; I359-V376 HydrophobicContact CB-CG1 4.35Å; I359-V376 HydrophobicContact CD1-CG1 4.02Å; I359-V376 HydrophobicContact CG1-CG1 3.87Å; K373-V376 WeakPolarHBondContact O-CG2 3.4Å; K373-V376 PolarHBondContact O-N 2.82Å; N374-V376 VanDerWaalsContact C-N 3.32Å; N374-V376 PolarHBondContact O-N 2.81Å; V376-L378 PolarHBondContact O-N 3.4Å; V376-T379 PolarHBondContact O-N 3.49Å; V376-G380 PolarHBondContact O-N 2.96Å; V376-G381 PolarHBondContact O-N 2.84Å; V376-H382 WeakPolarHBondContact CG1-O 3.24Å; V376-M383 HydrophobicContact CG1-CB 4.39Å; V376-M383 HydrophobicContact CG2-CB 4.2Å; V376-M383 HydrophobicContact CG2-CE 3.44Å; V376-M383 VanDerWaalsContact CG2-CE 3.44Å
377N97.6Very high97.7Very high34 Ų3415.1 Ų15.118%0.1828%0.081CC..Hα-helixtrans-66.4-38.2-172.4-68.6-19.1000112.5K373 C434 C435 H618K373-N377 WeakPolarHBondContact O-CB 3.1Å; K373-N377 PolarHBondContact O-N 2.94Å; K373-N377 PolarHBondContact O-ND2 3.31Å; N377-C434 CarbonylContact O-C 3.57Å; N377-C434 WeakPolarHBondContact O-CA 3.07Å; N377-C434 VanDerWaalsContact O-CB 3.28Å; N377-C434 WeakPolarHBondContact O-CB 3.44Å; N377-C435 PolarHBondContact O-N 3.14Å; N377-C435 VanDerWaalsContact O-N 3.12Å; N377-H618 PolarHBondContact OD1-ND1 3.07Å
378L97.5Very high97.6Very high17 Ų1716.2 Ų16.29%0.0899%0.089CC..THydrogen-bonded Turntrans-81.7-23.8-179.6-62.7179.6000112.7A347 V351 N374 V376 M452A347-L378 HydrophobicContact CB-CB 4.44Å; A347-L378 HydrophobicContact CB-CD1 3.93Å; V351-L378 HydrophobicContact CG2-CB 3.89Å; V351-L378 WeakPolarHBondContact CG2-O 3.32Å; N374-L378 HydrophobicContact CB-CD1 4.16Å; N374-L378 HydrophobicContact CB-CG 4.26Å; N374-L378 WeakPolarHBondContact O-CB 3.15Å; N374-L378 WeakPolarHBondContact O-CG 3.41Å; N374-L378 PolarHBondContact O-N 3.46Å; V376-L378 PolarHBondContact O-N 3.4Å; L378-M452 HydrophobicContact CD2-CE 4.35Å
379T97.7Very high97.6Very high0 Ų016.3 Ų16.30%09%0.089CC..THydrogen-bonded Turntrans-100.8-14.5-173.873.30000113.9A350 V351 I357 L375 V376 G381 C461 S462A350-T379 HydrophobicContact CB-CG2 4.05Å; V351-T379 HydrophobicContact CG2-CG2 3.89Å; I357-T379 PolarHBondContact N-OG1 3.12Å; I357-T379 VanDerWaalsContact N-OG1 3.08Å; L375-T379 WeakPolarHBondContact O-CB 3.45Å; L375-T379 WeakPolarHBondContact O-CG2 3.36Å; L375-T379 PolarHBondContact O-OG1 2.86Å; V376-T379 PolarHBondContact O-N 3.49Å; T379-G381 VanDerWaalsContact C-N 3.34Å; T379-G381 PolarHBondContact OG1-N 3.16Å; T379-C461 WeakPolarHBondContact O-CA 3.33Å; T379-C461 WeakPolarHBondContact O-CB 3.33Å; T379-C461 PolarHBondContact O-N 3.46Å; T379-S462 PolarHBondContact O-N 3.24Å
380G96.4Very high97.6Very high8 Ų820.8 Ų20.88%0.08211%0.113CC..THydrogen-bonded Turntrans75.126-17200000112.8V376 S462V376-G380 PolarHBondContact O-N 2.96Å; G380-S462 VanDerWaalsContact O-CB 3.22Å; G380-S462 WeakPolarHBondContact O-CB 3.38Å; G380-S462 PolarHBondContact O-OG 2.7Å
381G97.4Very high97.4Very high4 Ų421.4 Ų21.44%0.04112%0.119CC..  trans-79.1168.7173.400000112.7I357 D358 V376 T379 H618I357-G381 WeakPolarHBondContact O-CA 3.46Å; D358-G381 WeakPolarHBondContact OD1-CA 3.26Å; V376-G381 PolarHBondContact O-N 2.84Å; T379-G381 VanDerWaalsContact C-N 3.34Å; T379-G381 PolarHBondContact OG1-N 3.16Å; G381-H618 PolarHBondContact O-CE1 2.85Å
382H97.3Very high97.2Very high14 Ų1425.2 Ų25.27%0.06515%0.147CC..  trans-88.3137.7179.8-61.4-53.3000111.5R297 D358 I359 V376 F713R297-H382 PolarHBondContact NH2-CD2 3.03Å; R297-H382 PolarHBondContact NH2-NE2 3Å; D358-H382 CarbonylContact C-O 3.6Å; D358-H382 WeakPolarHBondContact CA-O 3.19Å; D358-H382 HydrophobicContact CB-CB 4.37Å; D358-H382 IonicContact OD1-CD2 3.63Å; D358-H382 IonicContact OD1-CG 2.74Å; D358-H382 PolarHBondContact OD1-N 2.92Å; I359-H382 PolarHBondContact N-O 3.12Å; V376-H382 WeakPolarHBondContact CG1-O 3.24Å; H382-F713 HydrophobicContact CB-CZ 4.45Å; H382-F713 AromaticContact CE1-CE1 3.6Å; H382-F713 AromaticContact CE1-CZ 3.61Å; H382-F713 AromaticContact CG-CZ 3.8Å; H382-F713 AromaticContact ND1-CE1 3.38Å; H382-F713 WeakPolarHBondContact ND1-CE1 3.45Å; H382-F713 AromaticContact ND1-CZ 3.41Å; H382-F713 WeakPolarHBondContact ND1-CZ 3.28Å
383M98Very high96.9Very high5 Ų526.8 Ų26.83%0.02516%0.155CC..EExtended strand (participates in β ladder)trans-109.9115.8161.9-169-179.7-7000108.9I359 L369 K373 V376 F615 H618I359-M383 WeakPolarHBondContact O-CA 3.03Å; L369-M383 HydrophobicContact CB-CE 4.41Å; L369-M383 HydrophobicContact CB-SD 4.18Å; L369-M383 HydrophobicContact CD1-CG 4.24Å; L369-M383 HydrophobicContact CD1-SD 3.95Å; L369-M383 HydrophobicContact CD2-CE 4.48Å; L369-M383 HydrophobicContact CD2-CG 4.17Å; L369-M383 HydrophobicContact CD2-SD 4.23Å; L369-M383 HydrophobicContact CG-SD 4.35Å; K373-M383 HydrophobicContact CB-CE 4.09Å; V376-M383 HydrophobicContact CG1-CB 4.39Å; V376-M383 HydrophobicContact CG2-CB 4.2Å; V376-M383 HydrophobicContact CG2-CE 3.44Å; V376-M383 VanDerWaalsContact CG2-CE 3.44Å; M383-F615 HydrophobicContact CG-CD2 4.16Å; M383-F615 WeakPolarHBondContact O-CE2 3.35Å; M383-F615 HydrophobicContact SD-CB 4.01Å; M383-F615 HydrophobicContact SD-CD2 4.33Å; M383-H618 VanDerWaalsContact CB-CD2 3.47Å; M383-H618 WeakPolarHBondContact CB-CD2 2.95Å; M383-H618 PolarHBondContact N-NE2 3.26Å; M383-H618 HydrophobicContact SD-CB 4.42Å
384I97.3Very high96.9Very high1 Ų125 Ų251%0.00515%0.147CC..EExtended strand (participates in β ladder)trans-117.3128.4173.7-54.5-169.1000108I359 Y360 S361 F713I359-I384 PolarHBondContact O-N 3.12Å; Y360-I384 HydrophobicContact CD1-CB 3.96Å; Y360-I384 HydrophobicContact CD1-CD1 3.72Å; Y360-I384 HydrophobicContact CD1-CG1 3.96Å; Y360-I384 HydrophobicContact CE1-CD1 3.5Å; Y360-I384 HydrophobicContact CE1-CG1 4.01Å; S361-I384 PolarHBondContact N-O 2.75Å; I384-F713 HydrophobicContact CD1-CE2 4.47Å
385M97.2Very high96.8Very high45 Ų4526.6 Ų26.622%0.22215%0.152CC..EExtended strand (participates in β ladder)trans-121.2127179.3-173.7178.274.900109.2S361 L369 E612 F615S361-M385 WeakPolarHBondContact O-CA 3.05Å; L369-M385 HydrophobicContact CD1-CB 4.2Å; L369-M385 HydrophobicContact CD1-CG 4.12Å; L369-M385 HydrophobicContact CD1-SD 3.93Å; M385-E612 HydrophobicContact CE-CB 4.34Å; M385-E612 HydrophobicContact CE-CG 3.73Å; M385-E612 HydrophobicContact SD-CG 4.25Å; M385-F615 HydrophobicContact CB-CD2 4.04Å; M385-F615 HydrophobicContact CB-CE2 4.37Å; M385-F615 HydrophobicContact CB-CG 4.11Å; M385-F615 HydrophobicContact CE-CB 4.22Å; M385-F615 HydrophobicContact CE-CD1 3.75Å; M385-F615 HydrophobicContact CE-CE1 4.41Å; M385-F615 HydrophobicContact CE-CG 4.12Å; M385-F615 HydrophobicContact SD-CB 4.16Å; M385-F615 HydrophobicContact SD-CG 4.44Å
386A96.8Very high96.7Very high10 Ų1030.4 Ų30.48%0.08317%0.17CC..EExtended strand (participates in β ladder)trans-145.4168.1176.800000110.6S361 C362 A363 L393 F394S361-A386 PolarHBondContact O-N 2.62Å; C362-A386 VanDerWaalsContact CA-O 3.25Å; C362-A386 WeakPolarHBondContact CA-O 3.38Å; A363-A386 PolarHBondContact N-O 3.29Å; A363-A386 VanDerWaalsContact N-O 3.16Å; A386-L393 HydrophobicContact CB-CD2 3.71Å; A386-F394 HydrophobicContact CB-CB 4.11Å
387D96Very high96.6Very high83 Ų8330.4 Ų30.444%0.44417%0.17SC..SBendtrans-79.1-27.3177.7-61.8-23.1000111.9A363 L364 R717A363-D387 CarbonylContact C-O 3.59Å; L364-D387 HydrophobicContact CD2-CB 4.2Å; D387-R717 IonicContact OD2-NH1 3.28Å; D387-R717 IonicContact OD2-NH2 2.72Å
388S97.6Very high96.6Very high24 Ų2428.8 Ų28.817%0.16816%0.161CC..  trans-157.6145.3-171.9168.10000111.7E146 D390 S391E146-S388 VanDerWaalsContact CD-OG 3.25Å; E146-S388 WeakPolarHBondContact OE1-CB 3.42Å; E146-S388 PolarHBondContact OE1-OG 3.13Å; E146-S388 PolarHBondContact OE2-OG 3.07Å; S388-D390 PolarHBondContact O-N 3.12Å; S388-D390 PolarHBondContact OG-N 3.28Å; S388-S391 WeakPolarHBondContact O-CB 3.38Å; S388-S391 PolarHBondContact O-N 2.81Å; S388-S391 PolarHBondContact O-OG 3.38Å
389F98.1Very high96.5Very high1 Ų132.7 Ų32.70%0.00418%0.179CC..THydrogen-bonded Turntrans-68.3-17.8170.1-66.5-69.8000112.4V142 E146 A149 L150 F301 I302 C362 S391 F394V142-F389 HydrophobicContact CG1-CE2 4.47Å; E146-F389 HydrophobicContact CB-CD2 4.35Å; E146-F389 WeakPolarHBondContact OE2-CB 3.47Å; E146-F389 WeakPolarHBondContact OE2-CD2 3.36Å; E146-F389 PolarHBondContact OE2-N 2.89Å; A149-F389 HydrophobicContact CB-CB 4.39Å; L150-F389 HydrophobicContact CB-CB 4.19Å; L150-F389 HydrophobicContact CB-CD1 4.35Å; L150-F389 HydrophobicContact CB-CD2 4.41Å; L150-F389 HydrophobicContact CB-CG 4.08Å; L150-F389 HydrophobicContact CD1-CD1 3.89Å; L150-F389 HydrophobicContact CD1-CE1 4.03Å; L150-F389 HydrophobicContact CD1-CG 4.48Å; L150-F389 HydrophobicContact CD2-CD2 4.5Å; L150-F389 HydrophobicContact CD2-CE1 4.29Å; L150-F389 HydrophobicContact CD2-CE2 4.27Å; L150-F389 HydrophobicContact CD2-CZ 4.17Å; L150-F389 HydrophobicContact CG-CD1 4.47Å; F301-F389 HydrophobicContact CB-CE1 4.22Å; F301-F389 HydrophobicContact CB-CZ 4.18Å; F301-F389 HydrophobicContact CD1-CE1 4.25Å; I302-F389 WeakPolarHBondContact O-CZ 3.27Å; C362-F389 HydrophobicContact CB-CB 4.45Å; C362-F389 HydrophobicContact CB-CD1 3.59Å; C362-F389 HydrophobicContact CB-CD2 3.66Å; C362-F389 HydrophobicContact CB-CE1 3.6Å; C362-F389 HydrophobicContact CB-CE2 3.67Å; C362-F389 HydrophobicContact CB-CG 3.62Å; C362-F389 HydrophobicContact CB-CZ 3.65Å; C362-F389 WeakPolarHBondContact SG-CD1 3.35Å; C362-F389 WeakPolarHBondContact SG-CE1 3.22Å; F389-S391 VanDerWaalsContact C-N 3.31Å; F389-F394 HydrophobicContact CB-CD1 4.18Å; F389-F394 HydrophobicContact CB-CE1 4.23Å; F389-F394 HydrophobicContact CD1-CD1 4.02Å; F389-F394 HydrophobicContact CD1-CD2 4.14Å; F389-F394 AromaticContact CD1-CE1 3.69Å; F389-F394 HydrophobicContact CD1-CE1 3.69Å; F389-F394 AromaticContact CD1-CE2 3.85Å; F389-F394 HydrophobicContact CD1-CE2 3.85Å; F389-F394 HydrophobicContact CD1-CG 4.23Å; F389-F394 AromaticContact CD1-CZ 3.6Å; F389-F394 HydrophobicContact CD1-CZ 3.6Å; F389-F394 HydrophobicContact CE1-CE2 4.11Å; F389-F394 HydrophobicContact CE1-CZ 4.12Å; F389-F394 HydrophobicContact CG-CE1 4.46Å; F389-F394 WeakPolarHBondContact O-CD1 3.48Å
390D97.3Very high96.3Very high94 Ų9434.2 Ų34.250%0.50319%0.185SC..THydrogen-bonded Turntrans-82.8-10.1175.4-159.638.4000113.2A149 S388 K395A149-D390 HydrophobicContact CB-CB 3.71Å; S388-D390 PolarHBondContact O-N 3.12Å; S388-D390 PolarHBondContact OG-N 3.28Å; D390-K395 WeakPolarHBondContact O-CE 3.44Å; D390-K395 PolarHBondContact O-NZ 3.19Å; D390-K395 IonicContact OD1-NZ 2.79Å; D390-K395 PolarHBondContact OD1-NZ 3.42Å
391S95Very high96.3Very high31 Ų3134.2 Ų34.222%0.21718%0.183CC..SBendtrans-66.4147.4-179.871.70000113.4S388 F389 L393 F394 K395S388-S391 WeakPolarHBondContact O-CB 3.38Å; S388-S391 PolarHBondContact O-N 2.81Å; S388-S391 PolarHBondContact O-OG 3.38Å; F389-S391 VanDerWaalsContact C-N 3.31Å; S391-L393 VanDerWaalsContact C-N 3.25Å; S391-L393 PolarHBondContact O-N 3.39Å; S391-F394 PolarHBondContact O-N 3.29Å; S391-F394 WeakPolarHBondContact OG-CB 3.38Å; S391-F394 PolarHBondContact OG-N 2.68Å; S391-K395 WeakPolarHBondContact O-CG 3.49Å; S391-K395 PolarHBondContact O-N 3.36Å; S391-K395 VanDerWaalsContact O-N 3.13Å
392S92.4Very high96.2Very high82 Ų8234.2 Ų34.257%0.57318%0.182SC*.Hα-helixtrans-61-36.1171.954.90000112K395 Q396S392-K395 PolarHBondContact O-N 3.07Å; S392-Q396 VanDerWaalsContact O-CB 3.3Å; S392-Q396 WeakPolarHBondContact O-CB 3.45Å; S392-Q396 WeakPolarHBondContact O-CG 3.2Å; S392-Q396 PolarHBondContact O-N 2.72Å
393L94Very high96Very high33 Ų3337 Ų3717%0.17320%0.195CC..Hα-helixtrans-57.7-51.6177.5-175.7151000111.3A386 S391 S397 R717A386-L393 HydrophobicContact CB-CD2 3.71Å; S391-L393 VanDerWaalsContact C-N 3.25Å; S391-L393 PolarHBondContact O-N 3.39Å; L393-S397 VanDerWaalsContact O-CB 3.23Å; L393-S397 WeakPolarHBondContact O-CB 3.35Å; L393-S397 PolarHBondContact O-N 3.28Å; L393-S397 VanDerWaalsContact O-N 3.09Å; L393-S397 PolarHBondContact O-OG 2.87Å; L393-R717 HydrophobicContact CD1-CB 4.07Å
394F96.9Very high95.7Very high0 Ų041 Ų410%021%0.212CC..Hα-helixtrans-64.3-53.4177.8168.1-101.9000111.2L150 F301 Y360 C362 A386 F389 S391 Q396 S397 F398L150-F394 HydrophobicContact CD1-CE1 4.42Å; L150-F394 HydrophobicContact CD1-CZ 4.06Å; F301-F394 HydrophobicContact CD1-CE2 4.45Å; F301-F394 HydrophobicContact CD1-CZ 4.25Å; F301-F394 HydrophobicContact CE1-CE2 4.48Å; F301-F394 HydrophobicContact CE1-CZ 4.22Å; Y360-F394 HydrophobicContact CD1-CE2 4.11Å; Y360-F394 HydrophobicContact CG-CE2 4.32Å; C362-F394 VanDerWaalsContact SG-CD2 3.57Å; A386-F394 HydrophobicContact CB-CB 4.11Å; F389-F394 HydrophobicContact CB-CD1 4.18Å; F389-F394 HydrophobicContact CB-CE1 4.23Å; F389-F394 HydrophobicContact CD1-CD1 4.02Å; F389-F394 HydrophobicContact CD1-CD2 4.14Å; F389-F394 AromaticContact CD1-CE1 3.69Å; F389-F394 HydrophobicContact CD1-CE1 3.69Å; F389-F394 AromaticContact CD1-CE2 3.85Å; F389-F394 HydrophobicContact CD1-CE2 3.85Å; F389-F394 HydrophobicContact CD1-CG 4.23Å; F389-F394 AromaticContact CD1-CZ 3.6Å; F389-F394 HydrophobicContact CD1-CZ 3.6Å; F389-F394 HydrophobicContact CE1-CE2 4.11Å; F389-F394 HydrophobicContact CE1-CZ 4.12Å; F389-F394 HydrophobicContact CG-CE1 4.46Å; F389-F394 WeakPolarHBondContact O-CD1 3.48Å; S391-F394 PolarHBondContact O-N 3.29Å; S391-F394 WeakPolarHBondContact OG-CB 3.38Å; S391-F394 PolarHBondContact OG-N 2.68Å; F394-Q396 PolarHBondContact O-N 2.95Å; F394-S397 PolarHBondContact O-N 3.23Å; F394-F398 HydrophobicContact CE2-CB 4.12Å; F394-F398 HydrophobicContact CE2-CG 4.4Å; F394-F398 HydrophobicContact CZ-CB 4.15Å; F394-F398 HydrophobicContact CZ-CD1 4.36Å; F394-F398 HydrophobicContact CZ-CG 4.18Å; F394-F398 VanDerWaalsContact O-CB 3.31Å; F394-F398 WeakPolarHBondContact O-CB 3.08Å; F394-F398 PolarHBondContact O-N 2.73Å
395K96.2Very high95.3Very high72 Ų7243 Ų4331%0.31322%0.223SC..Hα-helixtrans-56.9-48.5-174.7-72.8171178.1161.50112.3D390 S391 S392 Q399D390-K395 WeakPolarHBondContact O-CE 3.44Å; D390-K395 PolarHBondContact O-NZ 3.19Å; D390-K395 IonicContact OD1-NZ 2.79Å; D390-K395 PolarHBondContact OD1-NZ 3.42Å; S391-K395 WeakPolarHBondContact O-CG 3.49Å; S391-K395 PolarHBondContact O-N 3.36Å; S391-K395 VanDerWaalsContact O-N 3.13Å; S392-K395 PolarHBondContact O-N 3.07Å; K395-Q399 WeakPolarHBondContact O-CB 3.41Å; K395-Q399 PolarHBondContact O-N 3.27Å
396Q94.9Very high94.7Very high80 Ų8048.5 Ų48.537%0.37425%0.246SC..Hα-helixtrans-69-41.9179.7-68-176.737.100111.7S392 F394 F398 Q399 R400 V715S392-Q396 VanDerWaalsContact O-CB 3.3Å; S392-Q396 WeakPolarHBondContact O-CB 3.45Å; S392-Q396 WeakPolarHBondContact O-CG 3.2Å; S392-Q396 PolarHBondContact O-N 2.72Å; F394-Q396 PolarHBondContact O-N 2.95Å; Q396-F398 VanDerWaalsContact C-N 3.32Å; Q396-F398 PolarHBondContact O-N 3.3Å; Q396-Q399 PolarHBondContact O-N 3.25Å; Q396-R400 WeakPolarHBondContact O-CG 3.46Å; Q396-R400 PolarHBondContact O-N 3.15Å; Q396-V715 HydrophobicContact CB-CG2 3.65Å
397S96.3Very high94.1Very high0 Ų054.3 Ų54.30%027%0.274CS..Hα-helixtrans-64.9-40.8179.6-56.10000110.9L393 F394 R400 V401 V715L393-S397 VanDerWaalsContact O-CB 3.23Å; L393-S397 WeakPolarHBondContact O-CB 3.35Å; L393-S397 PolarHBondContact O-N 3.28Å; L393-S397 VanDerWaalsContact O-N 3.09Å; L393-S397 PolarHBondContact O-OG 2.87Å; F394-S397 PolarHBondContact O-N 3.23Å; S397-R400 PolarHBondContact O-N 2.55Å; S397-V401 PolarHBondContact O-N 3.04Å; S397-V715 VanDerWaalsContact OG-CB 3.24Å; S397-V715 WeakPolarHBondContact OG-CB 3.41Å; S397-V715 WeakPolarHBondContact OG-CG2 3.47Å; S397-V715 PolarHBondContact OG-N 3.32Å
398F97.1Very high93.8Very high0 Ų052.5 Ų52.50%028%0.275CS..Hα-helixtrans-66.6-41.1177.4-175-121.7000112.2F136 S153 L154 M156 A157 F301 Y360 F394 Q396 R400 V401 F402F136-F398 HydrophobicContact CE1-CZ 4.5Å; S153-F398 WeakPolarHBondContact O-CE1 3.43Å; L154-F398 HydrophobicContact CD2-CE1 4.24Å; L154-F398 HydrophobicContact CD2-CZ 4.06Å; M156-F398 HydrophobicContact CE-CD1 4.25Å; A157-F398 HydrophobicContact CB-CE1 3.55Å; A157-F398 HydrophobicContact CB-CZ 3.76Å; F301-F398 HydrophobicContact CE1-CD2 4.17Å; F301-F398 HydrophobicContact CE1-CE1 4.42Å; F301-F398 AromaticContact CE1-CE2 3.67Å; F301-F398 HydrophobicContact CE1-CE2 3.67Å; F301-F398 AromaticContact CE1-CZ 3.81Å; F301-F398 HydrophobicContact CE1-CZ 3.81Å; F301-F398 HydrophobicContact CZ-CD2 4.5Å; F301-F398 HydrophobicContact CZ-CE1 4.5Å; F301-F398 AromaticContact CZ-CE2 3.58Å; F301-F398 HydrophobicContact CZ-CE2 3.58Å; F301-F398 AromaticContact CZ-CZ 3.58Å; F301-F398 HydrophobicContact CZ-CZ 3.58Å; Y360-F398 AromaticContact CD1-CD2 3.98Å; Y360-F398 HydrophobicContact CD1-CD2 3.98Å; Y360-F398 AromaticContact CE1-CD2 3.46Å; Y360-F398 HydrophobicContact CE1-CD2 3.46Å; Y360-F398 VanDerWaalsContact CE1-CD2 3.46Å; Y360-F398 AromaticContact CE1-CE2 4Å; Y360-F398 HydrophobicContact CE1-CE2 4Å; Y360-F398 HydrophobicContact CE2-CD2 4.33Å; Y360-F398 HydrophobicContact CE2-CE2 4.04Å; Y360-F398 AromaticContact CZ-CD2 3.66Å; Y360-F398 AromaticContact CZ-CE2 3.69Å; F394-F398 HydrophobicContact CE2-CB 4.12Å; F394-F398 HydrophobicContact CE2-CG 4.4Å; F394-F398 HydrophobicContact CZ-CB 4.15Å; F394-F398 HydrophobicContact CZ-CD1 4.36Å; F394-F398 HydrophobicContact CZ-CG 4.18Å; F394-F398 VanDerWaalsContact O-CB 3.31Å; F394-F398 WeakPolarHBondContact O-CB 3.08Å; F394-F398 PolarHBondContact O-N 2.73Å; Q396-F398 VanDerWaalsContact C-N 3.32Å; Q396-F398 PolarHBondContact O-N 3.3Å; F398-R400 VanDerWaalsContact C-N 3.28Å; F398-R400 PolarHBondContact O-N 2.79Å; F398-V401 WeakPolarHBondContact O-CB 3.41Å; F398-V401 PolarHBondContact O-N 2.95Å; F398-F402 HydrophobicContact CD2-CE2 4.2Å; F398-F402 HydrophobicContact CE1-CE2 4.12Å; F398-F402 AromaticContact CE2-CE2 3.73Å; F398-F402 HydrophobicContact CE2-CE2 3.73Å; F398-F402 HydrophobicContact CE2-CZ 4.07Å; F398-F402 AromaticContact CZ-CE2 3.69Å; F398-F402 HydrophobicContact CZ-CE2 3.69Å; F398-F402 HydrophobicContact CZ-CZ 4.03Å; F398-F402 WeakPolarHBondContact O-CD2 3.45Å
399Q95.4Very high93.5Very high99 Ų9952.4 Ų52.446%0.46327%0.274SS..Hα-helixtrans-58.5-41.1173-175.6178.10.500112M156 L160 K395 Q396 V401 F402M156-Q399 HydrophobicContact CE-CB 3.85Å; M156-Q399 HydrophobicContact CE-CG 4.09Å; M156-Q399 HydrophobicContact SD-CB 3.73Å; M156-Q399 HydrophobicContact SD-CG 3.63Å; L160-Q399 HydrophobicContact CD1-CG 4.24Å; K395-Q399 WeakPolarHBondContact O-CB 3.41Å; K395-Q399 PolarHBondContact O-N 3.27Å; Q396-Q399 PolarHBondContact O-N 3.25Å; Q399-V401 PolarHBondContact O-N 3.48Å; Q399-F402 PolarHBondContact O-N 3.13Å
400R94.5Very high93.3Very high33 Ų3352.5 Ų52.513%0.12528%0.275CS..Hα-helixtrans-64.7-25.2-179.1-74.8-173.6-172.1144.617.3114.5Q396 S397 F398 F402 E403 L709 R710 R712 F713Q396-R400 WeakPolarHBondContact O-CG 3.46Å; Q396-R400 PolarHBondContact O-N 3.15Å; S397-R400 PolarHBondContact O-N 2.55Å; F398-R400 VanDerWaalsContact C-N 3.28Å; F398-R400 PolarHBondContact O-N 2.79Å; R400-F402 PolarHBondContact O-N 3.41Å; R400-F402 VanDerWaalsContact O-N 3.11Å; R400-E403 WeakPolarHBondContact CG-OE1 3.37Å; R400-E403 WeakPolarHBondContact O-CG 3.36Å; R400-E403 PolarHBondContact O-N 3.24Å; R400-E403 VanDerWaalsContact O-N 3.11Å; R400-L709 PolarHBondContact NH1-O 3.09Å; R400-L709 PolarHBondContact NH2-O 3.45Å; R400-R710 PolarHBondContact NE-O 3.24Å; R400-R710 PolarHBondContact NH2-O 3.24Å; R400-R712 PolarHBondContact NH1-O 3.3Å; R400-F713 HydrophobicContact CB-CD2 3.95Å; R400-F713 HydrophobicContact CB-CE2 4.46Å
401V95.8Very high93.1Very high8 Ų851 Ų515%0.04826%0.263CS..Hα-helixtrans-54.4-32.5172.2177.90000110.7M299 Y360 S397 F398 Q399 M412 F713M299-V401 HydrophobicContact CE-CG1 4.5Å; Y360-V401 HydrophobicContact CE1-CG2 4.37Å; S397-V401 PolarHBondContact O-N 3.04Å; F398-V401 WeakPolarHBondContact O-CB 3.41Å; F398-V401 PolarHBondContact O-N 2.95Å; Q399-V401 PolarHBondContact O-N 3.48Å; V401-M412 HydrophobicContact CG1-CE 4.33Å; V401-M412 WeakPolarHBondContact O-CE 3.29Å; V401-F713 HydrophobicContact CG2-CE2 3.86Å; V401-F713 HydrophobicContact CG2-CZ 4.09Å
402F95.5Very high93.1Very high4 Ų449.9 Ų49.92%0.01826%0.255CS..THydrogen-bonded Turntrans-10221-176.7-52.2-79.6000113.9F134 A157 L160 L161 M299 F398 Q399 R400 L410F134-F402 HydrophobicContact CD1-CE1 4.34Å; F134-F402 HydrophobicContact CE1-CE1 4.17Å; A157-F402 HydrophobicContact CB-CD2 4Å; A157-F402 HydrophobicContact CB-CE2 3.43Å; A157-F402 VanDerWaalsContact CB-CE2 3.43Å; A157-F402 HydrophobicContact CB-CZ 3.74Å; L160-F402 HydrophobicContact CB-CB 3.88Å; L160-F402 HydrophobicContact CB-CG 4.47Å; L160-F402 HydrophobicContact CD1-CB 3.88Å; L161-F402 HydrophobicContact CD2-CD1 3.7Å; L161-F402 HydrophobicContact CD2-CE1 3.66Å; M299-F402 HydrophobicContact CE-CE1 3.76Å; M299-F402 HydrophobicContact CE-CZ 3.61Å; M299-F402 HydrophobicContact SD-CZ 3.98Å; F398-F402 HydrophobicContact CD2-CE2 4.2Å; F398-F402 HydrophobicContact CE1-CE2 4.12Å; F398-F402 AromaticContact CE2-CE2 3.73Å; F398-F402 HydrophobicContact CE2-CE2 3.73Å; F398-F402 HydrophobicContact CE2-CZ 4.07Å; F398-F402 AromaticContact CZ-CE2 3.69Å; F398-F402 HydrophobicContact CZ-CE2 3.69Å; F398-F402 HydrophobicContact CZ-CZ 4.03Å; F398-F402 WeakPolarHBondContact O-CD2 3.45Å; Q399-F402 PolarHBondContact O-N 3.13Å; R400-F402 PolarHBondContact O-N 3.41Å; R400-F402 VanDerWaalsContact O-N 3.11Å; F402-L410 HydrophobicContact CB-CD2 4.21Å; F402-L410 WeakPolarHBondContact O-CD2 3.41Å
403E93.2Very high93.2Very high72 Ų7246 Ų4634%0.33623%0.228SC..  trans-55.9144.8173.9-82.9-174-165.900111.9R400 L410 K411R400-E403 WeakPolarHBondContact CG-OE1 3.37Å; R400-E403 WeakPolarHBondContact O-CG 3.36Å; R400-E403 PolarHBondContact O-N 3.24Å; R400-E403 VanDerWaalsContact O-N 3.11Å; E403-L410 CarbonylContact O-C 3.55Å; E403-L410 WeakPolarHBondContact O-CA 3.38Å; E403-K411 HydrophobicContact CB-CD 3.81Å; E403-K411 HydrophobicContact CB-CG 4.2Å; E403-K411 WeakPolarHBondContact O-CG 3.34Å; E403-K411 PolarHBondContact O-N 3.43Å; E403-K411 IonicContact OE2-NZ 2.68Å; E403-K411 PolarHBondContact OE2-NZ 3.01Å
404K92.7Very high93.4Very high90 Ų9044.4 Ų44.439%0.39122%0.219SC..BIsolated β-bridgetrans-110.8146179.9-65.8175.2179.9179.50111.2L160 G408 S409 L410 K411L160-K404 WeakPolarHBondContact O-CE 3.41Å; L160-K404 PolarHBondContact O-NZ 3.35Å; K404-G408 WeakPolarHBondContact CD-O 3.2Å; K404-S409 CarbonylContact C-O 3.43Å; K404-S409 WeakPolarHBondContact CA-O 3.32Å; K404-L410 HydrophobicContact CG-CD2 4.25Å; K404-K411 WeakPolarHBondContact O-CE 3.43Å
405D88.5Confident93.3Very high42 Ų4245.1 Ų45.123%0.22522%0.223CC..  trans-75.8-176.8172.367.115.4000112I407 G408 S409 K411D405-I407 VanDerWaalsContact CG-CG1 3.49Å; D405-I407 PolarHBondContact O-N 2.7Å; D405-I407 WeakPolarHBondContact OD1-CA 3.3Å; D405-I407 WeakPolarHBondContact OD1-CG1 3.46Å; D405-I407 PolarHBondContact OD1-N 3.12Å; D405-I407 WeakPolarHBondContact OD2-CG1 3.48Å; D405-G408 PolarHBondContact O-N 3.06Å; D405-G408 VanDerWaalsContact O-N 3.07Å; D405-G408 PolarHBondContact OD1-N 3.02Å; D405-S409 PolarHBondContact N-O 3.38Å; D405-S409 PolarHBondContact OD1-N 3.06Å; D405-K411 HydrophobicContact CB-CG 4.34Å
406K84.5Confident93.4Very high161 Ų16141.7 Ų41.770%0.721%0.208SC*.THydrogen-bonded Turntrans-62.2-20.8-179.9-62.6178.4-174.7168.60113.6
407I85.3Confident93.5Very high132 Ų13239.2 Ų39.268%0.67720%0.199SC*.THydrogen-bonded Turntrans-100.36.9178.663.2168.9000112.5D405D405-I407 VanDerWaalsContact CG-CG1 3.49Å; D405-I407 PolarHBondContact O-N 2.7Å; D405-I407 WeakPolarHBondContact OD1-CA 3.3Å; D405-I407 WeakPolarHBondContact OD1-CG1 3.46Å; D405-I407 PolarHBondContact OD1-N 3.12Å; D405-I407 WeakPolarHBondContact OD2-CG1 3.48Å
408G89.3Confident93.6Very high45 Ų4539.2 Ų39.246%0.46420%0.199SC..SBendtrans80.29.9177.200000115K404 D405K404-G408 WeakPolarHBondContact CD-O 3.2Å; D405-G408 PolarHBondContact O-N 3.06Å; D405-G408 VanDerWaalsContact O-N 3.07Å; D405-G408 PolarHBondContact OD1-N 3.02Å
409S91Very high93.6Very high22 Ų2240.8 Ų40.815%0.15421%0.206CC..  trans-87.3150.8174.2-67.60000110.9K404 D405K404-S409 CarbonylContact C-O 3.43Å; K404-S409 WeakPolarHBondContact CA-O 3.32Å; D405-S409 PolarHBondContact N-O 3.38Å; D405-S409 PolarHBondContact OD1-N 3.06Å
410L94Very high93.8Very high3 Ų336.1 Ų36.12%0.01619%0.185CC..BIsolated β-bridgetrans-60.9140.6176.8-64.5175.8000111F134 L161 P162 F402 E403 K404 M412 P500F134-L410 HydrophobicContact CE2-CD1 4.36Å; F134-L410 HydrophobicContact CZ-CD1 3.72Å; L161-L410 HydrophobicContact CD2-CD1 4.41Å; P162-L410 HydrophobicContact CG-CD1 4.18Å; P162-L410 HydrophobicContact CG-CG 4.27Å; F402-L410 HydrophobicContact CB-CD2 4.21Å; F402-L410 WeakPolarHBondContact O-CD2 3.41Å; E403-L410 CarbonylContact O-C 3.55Å; E403-L410 WeakPolarHBondContact O-CA 3.38Å; K404-L410 HydrophobicContact CG-CD2 4.25Å; L410-M412 HydrophobicContact CB-CE 4.22Å; L410-M412 HydrophobicContact CB-CG 3.99Å; L410-M412 HydrophobicContact CD1-CE 4.28Å; L410-M412 HydrophobicContact CD1-SD 4.33Å; L410-M412 PolarHBondContact O-N 2.84Å; L410-P500 HydrophobicContact CB-CB 4.08Å; L410-P500 HydrophobicContact CB-CG 3.97Å; L410-P500 WeakPolarHBondContact O-CG 3.28Å
411K93.5Very high93.9Very high61 Ų6135.7 Ų35.727%0.26518%0.183SC..SBendtrans-76.852.3178.5-65-169.7179.51690112.6Y46 E403 K404 D405 P465Y46-K411 HydrophobicContact CE2-CD 3.89Å; Y46-K411 WeakPolarHBondContact OH-CB 3.37Å; Y46-K411 WeakPolarHBondContact OH-CD 3.22Å; Y46-K411 WeakPolarHBondContact OH-CG 3.25Å; E403-K411 HydrophobicContact CB-CD 3.81Å; E403-K411 HydrophobicContact CB-CG 4.2Å; E403-K411 WeakPolarHBondContact O-CG 3.34Å; E403-K411 PolarHBondContact O-N 3.43Å; E403-K411 IonicContact OE2-NZ 2.68Å; E403-K411 PolarHBondContact OE2-NZ 3.01Å; K404-K411 WeakPolarHBondContact O-CE 3.43Å; D405-K411 HydrophobicContact CB-CG 4.34Å; K411-P465 HydrophobicContact CB-CG 4.24Å; K411-P465 WeakPolarHBondContact O-CD 3.39Å
412M94.4Very high94Very high8 Ų836 Ų364%0.03919%0.187CC..  trans-152.5164.9-179.764.3-175.475.300111F134 V401 L410 F414 L463 T464 P500F134-M412 HydrophobicContact CE1-SD 4.5Å; V401-M412 HydrophobicContact CG1-CE 4.33Å; V401-M412 WeakPolarHBondContact O-CE 3.29Å; L410-M412 HydrophobicContact CB-CE 4.22Å; L410-M412 HydrophobicContact CB-CG 3.99Å; L410-M412 HydrophobicContact CD1-CE 4.28Å; L410-M412 HydrophobicContact CD1-SD 4.33Å; L410-M412 PolarHBondContact O-N 2.84Å; M412-F414 HydrophobicContact CG-CE1 4.3Å; M412-F414 HydrophobicContact CG-CE2 3.92Å; M412-F414 HydrophobicContact CG-CZ 3.63Å; M412-F414 HydrophobicContact SD-CE1 3.74Å; M412-F414 HydrophobicContact SD-CE2 4.19Å; M412-F414 HydrophobicContact SD-CZ 3.31Å; M412-F414 WeakPolarHBondContact SD-CZ 3.24Å; M412-L463 CarbonylContact C-O 3.54Å; M412-L463 VanDerWaalsContact CA-O 3.23Å; M412-L463 WeakPolarHBondContact CA-O 3.43Å; M412-T464 HydrophobicContact CB-CG2 4.32Å; M412-P500 HydrophobicContact CG-CG 4.24Å; M412-P500 WeakPolarHBondContact O-CD 3.21Å; M412-P500 WeakPolarHBondContact O-CG 3.48Å
413G95.3Very high93.9Very high0 Ų036.1 Ų36.10%019%0.188CC..EExtended strand (participates in β ladder)trans-138.9157.2172.300000109.9S462 L463G413-S462 CarbonylContact O-C 3.51Å; G413-S462 WeakPolarHBondContact O-CA 3.19Å; G413-L463 PolarHBondContact N-O 2.76Å; G413-L463 PolarHBondContact O-N 3.04Å
414F96.7Very high93.8Very high0 Ų041.3 Ų41.30%021%0.21CC..EExtended strand (participates in β ladder)trans-125.5159-169-53-88.3000112.3P132 F134 G295 R297 M412 A416 C461 Q498 P500P132-F414 HydrophobicContact CB-CD2 4.04Å; P132-F414 HydrophobicContact CB-CE1 4.34Å; P132-F414 HydrophobicContact CB-CE2 3.5Å; P132-F414 HydrophobicContact CB-CZ 3.66Å; P132-F414 HydrophobicContact CG-CE2 4.12Å; P132-F414 HydrophobicContact CG-CZ 4.44Å; F134-F414 HydrophobicContact CE1-CZ 4.5Å; F134-F414 HydrophobicContact CZ-CZ 4.02Å; G295-F414 VanDerWaalsContact CA-CB 3.44Å; R297-F414 HydrophobicContact CG-CD1 4.31Å; R297-F414 HydrophobicContact CG-CE1 3.67Å; M412-F414 HydrophobicContact CG-CE1 4.3Å; M412-F414 HydrophobicContact CG-CE2 3.92Å; M412-F414 HydrophobicContact CG-CZ 3.63Å; M412-F414 HydrophobicContact SD-CE1 3.74Å; M412-F414 HydrophobicContact SD-CE2 4.19Å; M412-F414 HydrophobicContact SD-CZ 3.31Å; M412-F414 WeakPolarHBondContact SD-CZ 3.24Å; F414-A416 PolarHBondContact O-N 3.13Å; F414-A416 VanDerWaalsContact O-N 3.08Å; F414-C461 CarbonylContact C-O 3.4Å; F414-C461 VanDerWaalsContact CA-O 3.31Å; F414-C461 WeakPolarHBondContact CA-O 3.4Å; F414-Q498 HydrophobicContact CB-CB 4.3Å; F414-Q498 HydrophobicContact CB-CG 4.49Å; F414-Q498 PolarHBondContact N-O 2.76Å; F414-Q498 WeakPolarHBondContact O-CB 3.09Å; F414-Q498 PolarHBondContact O-N 3.12Å; F414-P500 HydrophobicContact CE2-CB 4.25Å; F414-P500 HydrophobicContact CE2-CG 3.93Å
415N96.1Very high93.7Very high15 Ų1538 Ų388%0.0820%0.195CC..EExtended strand (participates in β ladder)trans4151.7174.3-170.330.6000112.3N293 G354 K459 C461 R504N293-N415 PolarHBondContact O-ND2 2.87Å; G354-N415 WeakPolarHBondContact CA-OD1 3.41Å; N415-K459 WeakPolarHBondContact OD1-CE 3.46Å; N415-K459 PolarHBondContact OD1-NZ 2.92Å; N415-C461 PolarHBondContact N-O 3.39Å; N415-R504 PolarHBondContact O-NH1 3.23Å
416A96.8Very high94Very high0 Ų036.1 Ų36.10%019%0.185CC..EExtended strand (participates in β ladder)trans-87145-175.200000111.3F414 K459 F460 L463 T495 Q496F414-A416 PolarHBondContact O-N 3.13Å; F414-A416 VanDerWaalsContact O-N 3.08Å; A416-K459 WeakPolarHBondContact O-CA 3.35Å; A416-F460 WeakPolarHBondContact CA-O 3.41Å; A416-F460 HydrophobicContact CB-CB 4.23Å; A416-F460 WeakPolarHBondContact CB-O 3.34Å; A416-F460 PolarHBondContact N-O 2.95Å; A416-F460 PolarHBondContact O-N 2.87Å; A416-L463 HydrophobicContact CB-CD1 3.44Å; A416-L463 VanDerWaalsContact CB-CD1 3.44Å; A416-L463 HydrophobicContact CB-CG 4.12Å; A416-T495 HydrophobicContact CB-CG2 4.41Å; A416-Q496 CarbonylContact C-O 3.59Å; A416-Q496 WeakPolarHBondContact CA-O 3.34Å
417T97.8Very high94.5Very high29 Ų2931.9 Ų31.918%0.17817%0.167CC..EExtended strand (participates in β ladder)trans-124.2117.8172.1-58.60000107.6L438 W458 Q496T417-L438 HydrophobicContact CG2-CD1 3.67Å; T417-W458 WeakPolarHBondContact CA-O 3.48Å; T417-Q496 PolarHBondContact N-O 3.05Å; T417-Q496 PolarHBondContact O-N 3.25Å
418L98.3Very high95.1Very high0 Ų025.6 Ų25.60%014%0.135CC..EExtended strand (participates in β ladder)trans-97125172.4171.761.3000108.7F41 I420 Q457 W458 F460 F471 F493 I494 T495F41-L418 HydrophobicContact CD1-CD2 4.22Å; F41-L418 HydrophobicContact CE1-CD1 4Å; F41-L418 HydrophobicContact CE1-CD2 4.29Å; L418-I420 HydrophobicContact CG-CG1 4.39Å; L418-Q457 CarbonylContact O-C 3.57Å; L418-Q457 VanDerWaalsContact O-CA 3.23Å; L418-Q457 WeakPolarHBondContact O-CA 3.47Å; L418-W458 PolarHBondContact N-O 2.95Å; L418-W458 PolarHBondContact O-N 2.77Å; L418-F460 HydrophobicContact CB-CD2 4.27Å; L418-F460 HydrophobicContact CB-CE2 3.83Å; L418-F460 HydrophobicContact CD2-CE2 3.98Å; L418-F460 HydrophobicContact CD2-CZ 4.4Å; L418-F471 HydrophobicContact CD2-CE1 4.03Å; L418-F471 HydrophobicContact CD2-CE2 3.85Å; L418-F471 HydrophobicContact CD2-CZ 3.26Å; L418-F493 HydrophobicContact CD1-CB 3.97Å; L418-F493 HydrophobicContact CD1-CD1 4.35Å; L418-I494 WeakPolarHBondContact CA-O 3.31Å; L418-T495 WeakPolarHBondContact CD1-OG1 3.4Å
419E98.3Very high95.4Very high33 Ų3324.3 Ų24.315%0.15412%0.117CC..EExtended strand (participates in β ladder)trans-112.8132.7168.8-177.6174.816700109.9K421 C456 Q457 I494E419-K421 VanDerWaalsContact OE1-CE 3.3Å; E419-K421 WeakPolarHBondContact OE1-CE 3.49Å; E419-K421 IonicContact OE1-NZ 2.76Å; E419-K421 PolarHBondContact OE1-NZ 2.68Å; E419-C456 WeakPolarHBondContact CA-O 3.38Å; E419-Q457 HydrophobicContact CB-CG 3.88Å; E419-Q457 HydrophobicContact CG-CG 3.8Å; E419-Q457 PolarHBondContact OE2-NE2 2.93Å; E419-I494 HydrophobicContact CB-CB 4.47Å; E419-I494 PolarHBondContact N-O 3.23Å; E419-I494 PolarHBondContact O-N 3.12Å
420I98.3Very high95.7Very high1 Ų123.3 Ų23.31%0.00511%0.11CC..EExtended strand (participates in β ladder)trans-105.2132.3174.1-61-176.4000109.3L418 L428 L444 C456 W458 F471 F473 V491 Q492 F493L418-I420 HydrophobicContact CG-CG1 4.39Å; I420-L428 HydrophobicContact CB-CD2 4.1Å; I420-L428 HydrophobicContact CD1-CD1 4.37Å; I420-L428 HydrophobicContact CD1-CD2 4.49Å; I420-L428 HydrophobicContact CG2-CD2 4.31Å; I420-L444 HydrophobicContact CG2-CD2 4.41Å; I420-L444 VanDerWaalsContact O-CD2 3.26Å; I420-L444 WeakPolarHBondContact O-CD2 3.15Å; I420-C456 PolarHBondContact N-O 2.85Å; I420-W458 HydrophobicContact CB-CZ3 4.37Å; I420-W458 HydrophobicContact CD1-CE3 4.48Å; I420-W458 HydrophobicContact CD1-CH2 4.27Å; I420-W458 HydrophobicContact CD1-CZ3 3.65Å; I420-W458 HydrophobicContact CG1-CZ3 3.91Å; I420-F471 HydrophobicContact CD1-CB 4.15Å; I420-F471 HydrophobicContact CD1-CD1 3.33Å; I420-F471 HydrophobicContact CD1-CD2 3.95Å; I420-F471 HydrophobicContact CD1-CE1 3.66Å; I420-F471 HydrophobicContact CD1-CE2 4.24Å; I420-F471 HydrophobicContact CD1-CG 3.5Å; I420-F471 VanDerWaalsContact CD1-CG 3.5Å; I420-F471 HydrophobicContact CD1-CZ 4.12Å; I420-F473 HydrophobicContact CG2-CE1 4.27Å; I420-F473 HydrophobicContact CG2-CZ 4.45Å; I420-V491 HydrophobicContact CG2-CG1 3.96Å; I420-Q492 WeakPolarHBondContact CA-O 3.17Å; I420-F493 HydrophobicContact CD1-CD1 3.72Å; I420-F493 HydrophobicContact CD1-CE1 3.54Å; I420-F493 HydrophobicContact CG1-CD1 3.72Å; I420-F493 HydrophobicContact CG1-CE1 4.03Å
421K97.7Very high95.9Very high23 Ų2323.2 Ų23.210%0.111%0.109CC..EExtended strand (participates in β ladder)trans-120.9142.7169-59.5178.6-177-64.30108.4C69 K70 A71 L90 E419 V491 Q492 I494C69-K421 VanDerWaalsContact O-CD 3.29Å; C69-K421 WeakPolarHBondContact O-CD 3.14Å; C69-K421 WeakPolarHBondContact O-CE 3.42Å; C69-K421 PolarHBondContact O-NZ 3.11Å; K70-K421 WeakPolarHBondContact O-CE 3.13Å; A71-K421 HydrophobicContact CB-CD 3.98Å; L90-K421 HydrophobicContact CD2-CB 3.47Å; L90-K421 VanDerWaalsContact CD2-CB 3.47Å; E419-K421 VanDerWaalsContact OE1-CE 3.3Å; E419-K421 WeakPolarHBondContact OE1-CE 3.49Å; E419-K421 IonicContact OE1-NZ 2.76Å; E419-K421 PolarHBondContact OE1-NZ 2.68Å; K421-V491 CarbonylContact O-C 3.55Å; K421-V491 WeakPolarHBondContact O-CA 3.49Å; K421-Q492 HydrophobicContact CB-CB 4.45Å; K421-Q492 PolarHBondContact N-O 3.35Å; K421-Q492 PolarHBondContact O-N 3.11Å; K421-I494 HydrophobicContact CD-CD1 3.85Å; K421-I494 HydrophobicContact CG-CD1 4.45Å
422A96.3Very high96.1Very high16 Ų1620.5 Ų20.513%0.13210%0.098CC..EExtended strand (participates in β ladder)trans-143170.1178.100000112L426 L444 Y490 V491A422-L426 HydrophobicContact CB-CB 4.02Å; A422-L426 HydrophobicContact CB-CD1 3.95Å; A422-L444 HydrophobicContact CB-CD1 3.69Å; A422-L444 HydrophobicContact CB-CD2 4.34Å; A422-Y490 CarbonylContact C-O 3.57Å; A422-Y490 WeakPolarHBondContact CA-O 3.24Å; A422-Y490 WeakPolarHBondContact CB-O 3.18Å; A422-V491 HydrophobicContact CB-CG2 4.2Å
423S93.7Very high96.1Very high5 Ų520.9 Ų20.94%0.03510%0.104CC..  trans-57.9152.8168-67.90000111.7E425 L426 Y490S423-E425 WeakPolarHBondContact CB-OE2 3.23Å; S423-E425 PolarHBondContact O-N 3.17Å; S423-E425 VanDerWaalsContact O-N 3.13Å; S423-L426 PolarHBondContact O-N 2.92Å; S423-Y490 PolarHBondContact N-O 3.06Å; S423-Y490 PolarHBondContact OG-N 2.93Å
424K91.2Very high96.2Very high182 Ų18221.4 Ų21.479%0.79111%0.108SC*.THydrogen-bonded Turntrans-63.5-18.2-176.467.2-178.6-177.8178.20114.4L426K424-L426 VanDerWaalsContact C-N 3.27Å
425E91.9Very high96.2Very high19 Ų1921.5 Ų21.59%0.08911%0.108CC..THydrogen-bonded Turntrans-81.4-3.8176.1-59.974-157.400113.2S423 G476 P484 W515S423-E425 WeakPolarHBondContact CB-OE2 3.23Å; S423-E425 PolarHBondContact O-N 3.17Å; S423-E425 VanDerWaalsContact O-N 3.13Å; E425-G476 CarbonylContact O-C 3.54Å; E425-G476 PolarHBondContact O-N 2.81Å; E425-P484 HydrophobicContact CG-CG 4.08Å; E425-P484 WeakPolarHBondContact OE1-CG 3.45Å; E425-W515 HydrophobicContact CB-CH2 4.06Å; E425-W515 HydrophobicContact CB-CZ2 3.66Å
426L93.9Very high96.2Very high3 Ų320.9 Ų20.92%0.01611%0.105CC..EExtended strand (participates in β ladder)trans-109.9141.6174.6-69.1169.2000109.9W23 L37 A422 S423 K424 L444 F473 E474 A475 V491 W515W23-L426 HydrophobicContact CE3-CD1 4.36Å; W23-L426 HydrophobicContact CE3-CD2 4.4Å; W23-L426 HydrophobicContact CH2-CD1 4.09Å; W23-L426 HydrophobicContact CZ3-CD1 3.68Å; W23-L426 HydrophobicContact CZ3-CD2 4.47Å; W23-L426 HydrophobicContact CZ3-CG 4.5Å; L37-L426 HydrophobicContact CD2-CD2 3.85Å; A422-L426 HydrophobicContact CB-CB 4.02Å; A422-L426 HydrophobicContact CB-CD1 3.95Å; S423-L426 PolarHBondContact O-N 2.92Å; K424-L426 VanDerWaalsContact C-N 3.27Å; L426-L444 VanDerWaalsContact O-CD1 3.29Å; L426-L444 WeakPolarHBondContact O-CD1 3.47Å; L426-F473 HydrophobicContact CD2-CB 4.33Å; L426-E474 WeakPolarHBondContact CA-O 3.34Å; L426-A475 HydrophobicContact CD2-CB 4.14Å; L426-V491 HydrophobicContact CD1-CG2 3.69Å; L426-W515 HydrophobicContact CD2-CH2 3.73Å; L426-W515 HydrophobicContact CD2-CZ2 4.31Å; L426-W515 HydrophobicContact CG-CH2 4Å; L426-W515 HydrophobicContact CG-CZ2 4.08Å
427K95.3Very high96.1Very high73 Ų7322.7 Ų22.732%0.31712%0.115SC..EExtended strand (participates in β ladder)trans-120.4158.3161.9-66.6-171.4173.3-1670110.4L444 D447 F473 E474K427-L444 CarbonylContact C-O 3.5Å; K427-L444 WeakPolarHBondContact CA-O 3.33Å; K427-L444 WeakPolarHBondContact CB-O 3.43Å; K427-D447 IonicContact NZ-OD2 3.96Å; K427-F473 CarbonylContact O-C 3.59Å; K427-F473 WeakPolarHBondContact O-CA 3.22Å; K427-E474 HydrophobicContact CB-CB 4.22Å; K427-E474 PolarHBondContact N-O 3.2Å; K427-E474 PolarHBondContact O-N 3.22Å
428L96.6Very high96Very high0 Ų024.4 Ų24.40%012%0.122CC..EExtended strand (participates in β ladder)trans-112.1112.1-173.7-170.563.7000109.2I420 L444 S446 C456 W458 F471 F473I420-L428 HydrophobicContact CB-CD2 4.1Å; I420-L428 HydrophobicContact CD1-CD1 4.37Å; I420-L428 HydrophobicContact CD1-CD2 4.49Å; I420-L428 HydrophobicContact CG2-CD2 4.31Å; L428-L444 HydrophobicContact CB-CD1 4.47Å; L428-L444 HydrophobicContact CB-CG 4.06Å; L428-L444 HydrophobicContact CD2-CD2 4.28Å; L428-L444 PolarHBondContact N-O 3.38Å; L428-S446 WeakPolarHBondContact O-CB 3.39Å; L428-S446 PolarHBondContact O-N 2.87Å; L428-C456 HydrophobicContact CD2-CB 4.02Å; L428-W458 HydrophobicContact CD1-CH2 4.16Å; L428-W458 HydrophobicContact CD2-CH2 3.34Å; L428-W458 HydrophobicContact CD2-CZ2 4.46Å; L428-W458 HydrophobicContact CD2-CZ3 3.8Å; L428-W458 HydrophobicContact CG-CH2 3.8Å; L428-F471 HydrophobicContact CD1-CB 4.35Å; L428-F473 HydrophobicContact CD1-CD1 3.87Å; L428-F473 HydrophobicContact CD1-CE1 3.57Å; L428-F473 HydrophobicContact CD1-CG 4.48Å; L428-F473 HydrophobicContact CD1-CZ 3.93Å
429E96.7Very high95.9Very high18 Ų1830 Ų308%0.08415%0.152CC..EExtended strand (participates in β ladder)trans-80.2-35.2-177.4-63.3-174.7125.700111.4N448 E449 I450 G453 L472 E474E429-N448 WeakPolarHBondContact CA-O 3.29Å; E429-N448 VanDerWaalsContact CB-O 3.27Å; E429-N448 WeakPolarHBondContact CB-O 3.49Å; E429-N448 PolarHBondContact OE1-ND2 3.41Å; E429-E449 WeakPolarHBondContact O-CA 3.46Å; E429-I450 PolarHBondContact O-N 3.13Å; E429-G453 WeakPolarHBondContact O-CA 3.4Å; E429-L472 HydrophobicContact CB-CB 3.99Å; E429-L472 PolarHBondContact N-O 3.03Å; E429-E474 HydrophobicContact CG-CB 4.08Å
430G97.2Very high95.7Very high0 Ų029.4 Ų29.40%015%0.154CC..EExtended strand (participates in β ladder)trans156.3-159171.900000113.9I450 F471 L472G430-I450 WeakPolarHBondContact CA-O 3.47Å; G430-F471 WeakPolarHBondContact O-CA 2.9Å; G430-L472 PolarHBondContact O-N 2.93Å
431A98Very high95.4Very high1 Ų137.6 Ų37.61%0.00819%0.189CC..EExtended strand (participates in β ladder)trans-131.4139.7-176.100000112.1M452 W458 T469 T470 F471A431-M452 HydrophobicContact CB-CB 4.45Å; A431-M452 PolarHBondContact N-O 2.96Å; A431-M452 PolarHBondContact O-N 3.14Å; A431-W458 HydrophobicContact CB-CD2 4.32Å; A431-W458 HydrophobicContact CB-CZ2 3.72Å; A431-T469 HydrophobicContact CB-CG2 3.82Å; A431-T470 CarbonylContact C-O 3.56Å; A431-T470 WeakPolarHBondContact CA-O 3.49Å; A431-F471 HydrophobicContact CB-CD1 3.78Å; A431-F471 HydrophobicContact CB-CE1 3.66Å
432L97.8Very high95.2Very high4 Ų439.1 Ų39.12%0.02120%0.201CC..EExtended strand (participates in β ladder)trans-116.6111170.4-57.4172.8000108.7T470 L472 R540 L541 W544L432-T470 PolarHBondContact N-O 3.41Å; L432-T470 PolarHBondContact O-N 3.18Å; L432-L472 HydrophobicContact CD1-CD1 3.98Å; L432-L472 HydrophobicContact CG-CD1 4.17Å; L432-R540 HydrophobicContact CB-CB 4.2Å; L432-R540 HydrophobicContact CD1-CB 3.95Å; L432-R540 PolarHBondContact O-NH1 2.81Å; L432-L541 HydrophobicContact CD1-CB 4.45Å; L432-L541 HydrophobicContact CD1-CD2 3.73Å; L432-L541 HydrophobicContact CD1-CG 3.66Å; L432-W544 HydrophobicContact CD2-CB 3.9Å; L432-W544 HydrophobicContact CD2-CD2 4.33Å; L432-W544 HydrophobicContact CD2-CG 3.79Å
433G95.2Very high95Very high17 Ų1744.4 Ų44.418%0.17523%0.233CC..SBendtrans160.8-176.1-179.300000111.1C435 M621G433-C435 PolarHBondContact O-N 2.94Å; G433-C435 VanDerWaalsContact O-N 3.12Å; G433-M621 WeakPolarHBondContact CA-O 3.23Å
434C96.3Very high95Very high11 Ų1145.1 Ų45.17%0.07424%0.237CC..SBendtrans-84.982.8-177.4-63.20000112.2N377 F460 T622N377-C434 CarbonylContact O-C 3.57Å; N377-C434 WeakPolarHBondContact O-CA 3.07Å; N377-C434 VanDerWaalsContact O-CB 3.28Å; N377-C434 WeakPolarHBondContact O-CB 3.44Å; C434-F460 WeakPolarHBondContact O-CD1 3.16Å; C434-T622 PolarHBondContact SG-OG1 3.16Å
435C96.6Very high95.3Very high1 Ų137.4 Ų37.41%0.00721%0.205CC..  trans-149.9166.9179.267.20000111.8N377 G433 W458 F460N377-C435 PolarHBondContact O-N 3.14Å; N377-C435 VanDerWaalsContact O-N 3.12Å; G433-C435 PolarHBondContact O-N 2.94Å; G433-C435 VanDerWaalsContact O-N 3.12Å; C435-W458 HydrophobicContact CB-CB 4.3Å; C435-W458 VanDerWaalsContact SG-CD1 3.53Å; C435-F460 HydrophobicContact CB-CD1 3.8Å; C435-F460 HydrophobicContact CB-CD2 4.33Å; C435-F460 HydrophobicContact CB-CE1 3.4Å; C435-F460 VanDerWaalsContact CB-CE1 3.4Å; C435-F460 HydrophobicContact CB-CE2 3.93Å; C435-F460 HydrophobicContact CB-CG 4.26Å; C435-F460 HydrophobicContact CB-CZ 3.46Å; C435-F460 VanDerWaalsContact CB-CZ 3.46Å
436A97.2Very high95.4Very high3 Ų336.9 Ų36.93%0.02520%0.203CC..EExtended strand (participates in β ladder)trans-114.6143.1173.600000112.2V351 W458 K459V351-A436 HydrophobicContact CB-CB 4.26Å; V351-A436 HydrophobicContact CG1-CB 3.37Å; V351-A436 HydrophobicContact CG2-CB 3.81Å; A436-W458 CarbonylContact O-C 3.6Å; A436-W458 VanDerWaalsContact O-CA 3.27Å; A436-W458 WeakPolarHBondContact O-CA 3.19Å; A436-K459 HydrophobicContact CB-CB 4.48Å; A436-K459 PolarHBondContact N-O 3.04Å; A436-K459 PolarHBondContact O-N 2.8Å
437N94.7Very high95.4Very high38 Ų3843.9 Ų43.920%0.20324%0.241CC..EExtended strand (participates in β ladder)trans-74133177.6-177.4-10.6000111.7N439 G453 T455N437-N439 WeakPolarHBondContact OD1-CA 3.33Å; N437-N439 PolarHBondContact OD1-N 2.97Å; N437-G453 PolarHBondContact ND2-O 2.91Å; N437-T455 HydrophobicContact CB-CG2 4.47Å; N437-T455 WeakPolarHBondContact OD1-CB 3.35Å; N437-T455 WeakPolarHBondContact OD1-CG2 3.33Å
438L95.7Very high95.2Very high64 Ų6444.5 Ų44.534%0.33525%0.248SC..  trans-99.54.1175.7-69.7177.9000115.2T417 A440 Q457 K459T417-L438 HydrophobicContact CG2-CD1 3.67Å; L438-A440 PolarHBondContact O-N 2.83Å; L438-Q457 HydrophobicContact CB-CB 4.09Å; L438-Q457 WeakPolarHBondContact CB-O 3.3Å; L438-Q457 HydrophobicContact CD1-CB 4.15Å; L438-Q457 PolarHBondContact N-O 2.91Å; L438-Q457 VanDerWaalsContact N-O 3.15Å; L438-K459 HydrophobicContact CD1-CB 4.08Å; L438-K459 HydrophobicContact CD2-CB 3.86Å; L438-K459 HydrophobicContact CD2-CD 4.21Å; L438-K459 HydrophobicContact CG-CB 3.94Å
439N95.2Very high95.1Very high117 Ų11749.6 Ų49.663%0.62627%0.271SS*.  trans54.733.4177.8-62.9-61.7000114N437 K441 T455N437-N439 WeakPolarHBondContact OD1-CA 3.33Å; N437-N439 PolarHBondContact OD1-N 2.97Å; N439-K441 PolarHBondContact O-N 2.97Å; N439-T455 PolarHBondContact N-OG1 3.46Å
440A95.1Very high95Very high22 Ų2249.8 Ų49.818%0.18227%0.273CS..  trans-83.9101.4178.800000110.2L438 T455 C456 Q457L438-A440 PolarHBondContact O-N 2.83Å; A440-T455 PolarHBondContact N-OG1 2.87Å; A440-T455 CarbonylContact O-C 3.56Å; A440-T455 WeakPolarHBondContact O-CA 3.46Å; A440-C456 PolarHBondContact O-N 2.87Å; A440-C456 PolarHBondContact O-SG 2.87Å; A440-Q457 HydrophobicContact CB-CB 3.7Å; A440-Q457 HydrophobicContact CB-CG 3.71Å
441K92.2Very high94.9Very high172 Ų17250.4 Ų50.475%0.74828%0.279SS*.  trans-87.7130.5-179.4-63-167.2177-167.20111.9N439N439-K441 PolarHBondContact O-N 2.97Å
442T92.6Very high94.7Very high56 Ų5653.2 Ų53.234%0.34429%0.293SS..  trans-142.1168.7172.365.20000108.9L444 V445 C456T442-L444 PolarHBondContact O-N 3.44Å; T442-L444 WeakPolarHBondContact OG1-CB 3.3Å; T442-L444 PolarHBondContact OG1-N 3.19Å; T442-V445 PolarHBondContact O-N 3.37Å; T442-C456 VanDerWaalsContact CG2-SG 3.56Å; T442-C456 PolarHBondContact OG1-SG 2.97Å
443P92.3Very high94.6Very high126 Ų12653 Ų5382%0.81829%0.292SS*.THydrogen-bonded Turntrans-59-13.3174.5-25.935.9000115.1
444L94.2Very high94.7Very high20 Ų2052.7 Ų52.711%0.10529%0.288CS..THydrogen-bonded Turntrans-73.3-26.3174.3177.662.5000112.4I420 A422 L426 K427 L428 T442 S446 C456I420-L444 HydrophobicContact CG2-CD2 4.41Å; I420-L444 VanDerWaalsContact O-CD2 3.26Å; I420-L444 WeakPolarHBondContact O-CD2 3.15Å; A422-L444 HydrophobicContact CB-CD1 3.69Å; A422-L444 HydrophobicContact CB-CD2 4.34Å; L426-L444 VanDerWaalsContact O-CD1 3.29Å; L426-L444 WeakPolarHBondContact O-CD1 3.47Å; K427-L444 CarbonylContact C-O 3.5Å; K427-L444 WeakPolarHBondContact CA-O 3.33Å; K427-L444 WeakPolarHBondContact CB-O 3.43Å; L428-L444 HydrophobicContact CB-CD1 4.47Å; L428-L444 HydrophobicContact CB-CG 4.06Å; L428-L444 HydrophobicContact CD2-CD2 4.28Å; L428-L444 PolarHBondContact N-O 3.38Å; T442-L444 PolarHBondContact O-N 3.44Å; T442-L444 WeakPolarHBondContact OG1-CB 3.3Å; T442-L444 PolarHBondContact OG1-N 3.19Å; L444-S446 PolarHBondContact O-N 3.15Å; L444-C456 HydrophobicContact CD2-CB 4.24Å
445V96.4Very high94.7Very high20 Ų2052.1 Ų52.112%0.12128%0.284CS..BIsolated β-bridgetrans-71.1128.5-175.6-1790000109.7T442 G454 C456T442-V445 PolarHBondContact O-N 3.37Å; V445-G454 VanDerWaalsContact CG1-C 3.44Å; V445-C456 HydrophobicContact CG2-CB 4.21Å
446S94.6Very high94.8Very high8 Ų852.2 Ų52.26%0.05629%0.285CS..  trans-75.7152.6175.3-168.20000111.3L428 L444 N448 E474L428-S446 WeakPolarHBondContact O-CB 3.39Å; L428-S446 PolarHBondContact O-N 2.87Å; L444-S446 PolarHBondContact O-N 3.15Å; S446-N448 VanDerWaalsContact C-N 3.25Å; S446-N448 PolarHBondContact OG-N 2.91Å; S446-E474 PolarHBondContact OG-OE2 2.87Å
447D92.8Very high94.8Very high151 Ų15154.5 Ų54.581%0.80730%0.295SS*.SBendtrans-76.6-18.4169.4-56.4-59000111.2K427 E449K427-D447 IonicContact NZ-OD2 3.96Å; D447-E449 PolarHBondContact O-N 3.04Å
448N92.6Very high95Very high86 Ų8652.7 Ų52.746%0.4629%0.285SS..SBendtrans-88.892172.9-17232.5000109.9E429 S446E429-N448 WeakPolarHBondContact CA-O 3.29Å; E429-N448 VanDerWaalsContact CB-O 3.27Å; E429-N448 WeakPolarHBondContact CB-O 3.49Å; E429-N448 PolarHBondContact OE1-ND2 3.41Å; S446-N448 VanDerWaalsContact C-N 3.25Å; S446-N448 PolarHBondContact OG-N 2.91Å
449E93.9Very high95.1Very high107 Ų10750.4 Ų50.450%0.527%0.273SS..  trans-83126.6-178.5167.9158.1-16800111.8E429 D447 G453E429-E449 WeakPolarHBondContact O-CA 3.46Å; D447-E449 PolarHBondContact O-N 3.04Å; E449-G453 VanDerWaalsContact CD-C 3.48Å; E449-G453 PolarHBondContact OE1-N 3.3Å
450I93.9Very high95.2Very high22 Ų2245 Ų4511%0.11324%0.243CC..  trans-129.4135.4173.9-57.6175.8000109.5E429 G430 L472 L541 W544E429-I450 PolarHBondContact O-N 3.13Å; G430-I450 WeakPolarHBondContact CA-O 3.47Å; I450-L472 HydrophobicContact CB-CD1 3.78Å; I450-L472 HydrophobicContact CD1-CD1 4.21Å; I450-L472 HydrophobicContact CG2-CD1 3.45Å; I450-L472 VanDerWaalsContact CG2-CD1 3.45Å; I450-L541 HydrophobicContact CG2-CD2 3.73Å; I450-W544 HydrophobicContact CG2-CE3 4.3Å; I450-W544 HydrophobicContact CG2-CH2 4.42Å; I450-W544 HydrophobicContact CG2-CZ3 4.11Å
451G95Very high95.3Very high13 Ų1343.9 Ų43.913%0.13424%0.235CC..SBendtrans68.6-135.1178.400000112.2G453G451-G453 PolarHBondContact O-N 3.19Å; G451-G453 VanDerWaalsContact O-N 3.13Å
452M94.8Very high95.5Very high60 Ų6035.7 Ų35.730%0.29620%0.199SC..SBendtrans-82.268.7169.6-59.6-62.5145.100109.1L378 A431 W458L378-M452 HydrophobicContact CD2-CE 4.35Å; A431-M452 HydrophobicContact CB-CB 4.45Å; A431-M452 PolarHBondContact N-O 2.96Å; A431-M452 PolarHBondContact O-N 3.14Å; M452-W458 PolarHBondContact O-NE1 3.33Å
453G95.7Very high95.7Very high0 Ų033 Ų330%018%0.183CC..  trans-96.4-155.1-17500000114.3E429 N437 E449 G451 T455E429-G453 WeakPolarHBondContact O-CA 3.4Å; N437-G453 PolarHBondContact ND2-O 2.91Å; E449-G453 VanDerWaalsContact CD-C 3.48Å; E449-G453 PolarHBondContact OE1-N 3.3Å; G451-G453 PolarHBondContact O-N 3.19Å; G451-G453 VanDerWaalsContact O-N 3.13Å; G453-T455 PolarHBondContact O-N 3.45Å
454G96.3Very high95.8Very high9 Ų927.6 Ų27.69%0.09315%0.147CC..SBendtrans65.613.617800000115.7V445V445-G454 VanDerWaalsContact CG1-C 3.44Å
455T97.8Very high95.7Very high0 Ų027.6 Ų27.60%015%0.148CC..  trans-149.6161.1-175.1-170.50000111.7N437 N439 A440 G453 Q457 W458N437-T455 HydrophobicContact CB-CG2 4.47Å; N437-T455 WeakPolarHBondContact OD1-CB 3.35Å; N437-T455 WeakPolarHBondContact OD1-CG2 3.33Å; N439-T455 PolarHBondContact N-OG1 3.46Å; A440-T455 PolarHBondContact N-OG1 2.87Å; A440-T455 CarbonylContact O-C 3.56Å; A440-T455 WeakPolarHBondContact O-CA 3.46Å; G453-T455 PolarHBondContact O-N 3.45Å; T455-Q457 VanDerWaalsContact CG2-O 3.24Å; T455-Q457 WeakPolarHBondContact CG2-O 3.43Å; T455-Q457 PolarHBondContact OG1-N 2.74Å; T455-Q457 PolarHBondContact OG1-O 3.23Å; T455-W458 HydrophobicContact CG2-CD2 4.07Å; T455-W458 HydrophobicContact CG2-CG 4.47Å; T455-W458 HydrophobicContact CG2-CH2 4.47Å; T455-W458 HydrophobicContact CG2-CZ2 3.76Å
456C97.2Very high95.5Very high2 Ų229 Ų291%0.01415%0.153CC..SBendtrans-112.38.3162.567.60000113.4E419 I420 L428 A440 T442 L444 V445E419-C456 WeakPolarHBondContact CA-O 3.38Å; I420-C456 PolarHBondContact N-O 2.85Å; L428-C456 HydrophobicContact CD2-CB 4.02Å; A440-C456 PolarHBondContact O-N 2.87Å; A440-C456 PolarHBondContact O-SG 2.87Å; T442-C456 VanDerWaalsContact CG2-SG 3.56Å; T442-C456 PolarHBondContact OG1-SG 2.97Å; L444-C456 HydrophobicContact CD2-CB 4.24Å; V445-C456 HydrophobicContact CG2-CB 4.21Å
457Q98.1Very high95.6Very high51 Ų5129.2 Ų29.224%0.23816%0.155CC..EExtended strand (participates in β ladder)trans-130.6136.1176.7-66.1-176.4-19.500112L418 E419 L438 A440 T455L418-Q457 CarbonylContact O-C 3.57Å; L418-Q457 VanDerWaalsContact O-CA 3.23Å; L418-Q457 WeakPolarHBondContact O-CA 3.47Å; E419-Q457 HydrophobicContact CB-CG 3.88Å; E419-Q457 HydrophobicContact CG-CG 3.8Å; E419-Q457 PolarHBondContact OE2-NE2 2.93Å; L438-Q457 HydrophobicContact CB-CB 4.09Å; L438-Q457 WeakPolarHBondContact CB-O 3.3Å; L438-Q457 HydrophobicContact CD1-CB 4.15Å; L438-Q457 PolarHBondContact N-O 2.91Å; L438-Q457 VanDerWaalsContact N-O 3.15Å; A440-Q457 HydrophobicContact CB-CB 3.7Å; A440-Q457 HydrophobicContact CB-CG 3.71Å; T455-Q457 VanDerWaalsContact CG2-O 3.24Å; T455-Q457 WeakPolarHBondContact CG2-O 3.43Å; T455-Q457 PolarHBondContact OG1-N 2.74Å; T455-Q457 PolarHBondContact OG1-O 3.23Å
458W98.4Very high95.8Very high0 Ų022.1 Ų22.10%012%0.117CC..EExtended strand (participates in β ladder)trans-128.3148.4176.4-65.2-92000111.4T417 L418 I420 L428 A431 C435 A436 M452 T455 F460 F471T417-W458 WeakPolarHBondContact CA-O 3.48Å; L418-W458 PolarHBondContact N-O 2.95Å; L418-W458 PolarHBondContact O-N 2.77Å; I420-W458 HydrophobicContact CB-CZ3 4.37Å; I420-W458 HydrophobicContact CD1-CE3 4.48Å; I420-W458 HydrophobicContact CD1-CH2 4.27Å; I420-W458 HydrophobicContact CD1-CZ3 3.65Å; I420-W458 HydrophobicContact CG1-CZ3 3.91Å; L428-W458 HydrophobicContact CD1-CH2 4.16Å; L428-W458 HydrophobicContact CD2-CH2 3.34Å; L428-W458 HydrophobicContact CD2-CZ2 4.46Å; L428-W458 HydrophobicContact CD2-CZ3 3.8Å; L428-W458 HydrophobicContact CG-CH2 3.8Å; A431-W458 HydrophobicContact CB-CD2 4.32Å; A431-W458 HydrophobicContact CB-CZ2 3.72Å; C435-W458 HydrophobicContact CB-CB 4.3Å; C435-W458 VanDerWaalsContact SG-CD1 3.53Å; A436-W458 CarbonylContact O-C 3.6Å; A436-W458 VanDerWaalsContact O-CA 3.27Å; A436-W458 WeakPolarHBondContact O-CA 3.19Å; M452-W458 PolarHBondContact O-NE1 3.33Å; T455-W458 HydrophobicContact CG2-CD2 4.07Å; T455-W458 HydrophobicContact CG2-CG 4.47Å; T455-W458 HydrophobicContact CG2-CH2 4.47Å; T455-W458 HydrophobicContact CG2-CZ2 3.76Å; W458-F460 HydrophobicContact CB-CE2 3.91Å; W458-F471 AromaticContact CD2-CE1 3.97Å; W458-F471 HydrophobicContact CD2-CE1 3.97Å; W458-F471 HydrophobicContact CE3-CD1 4.35Å; W458-F471 AromaticContact CE3-CE1 3.68Å; W458-F471 HydrophobicContact CE3-CE1 3.68Å; W458-F471 AromaticContact CH2-CD1 3.76Å; W458-F471 HydrophobicContact CH2-CD1 3.76Å; W458-F471 AromaticContact CH2-CE1 3.9Å; W458-F471 HydrophobicContact CH2-CE1 3.9Å; W458-F471 HydrophobicContact CZ2-CD1 4.23Å; W458-F471 HydrophobicContact CZ2-CE1 4.23Å; W458-F471 AromaticContact CZ3-CD1 3.86Å; W458-F471 HydrophobicContact CZ3-CD1 3.86Å; W458-F471 AromaticContact CZ3-CE1 3.65Å; W458-F471 HydrophobicContact CZ3-CE1 3.65Å
459K97.7Very high96.1Very high16 Ų1618.2 Ų18.27%0.0710%0.096CC..EExtended strand (participates in β ladder)trans-102.5135.7174.2-170.3160.9-174.7177.20110.3V351 K352 N415 A416 A436 L438V351-K459 HydrophobicContact CG1-CD 4.17Å; V351-K459 VanDerWaalsContact O-CD 3.31Å; V351-K459 WeakPolarHBondContact O-CD 3.46Å; V351-K459 WeakPolarHBondContact O-CE 3.44Å; V351-K459 PolarHBondContact O-NZ 2.65Å; K352-K459 PolarHBondContact O-NZ 3.22Å; N415-K459 WeakPolarHBondContact OD1-CE 3.46Å; N415-K459 PolarHBondContact OD1-NZ 2.92Å; A416-K459 WeakPolarHBondContact O-CA 3.35Å; A436-K459 HydrophobicContact CB-CB 4.48Å; A436-K459 PolarHBondContact N-O 3.04Å; A436-K459 PolarHBondContact O-N 2.8Å; L438-K459 HydrophobicContact CD1-CB 4.08Å; L438-K459 HydrophobicContact CD2-CB 3.86Å; L438-K459 HydrophobicContact CD2-CD 4.21Å; L438-K459 HydrophobicContact CG-CB 3.94Å
460F97.4Very high96.3Very high3 Ų313.1 Ų13.11%0.0137%0.072CC..EExtended strand (participates in β ladder)trans-125.8108.8170.4-61.9-101.3000106.8A416 L418 C434 C435 W458 S462 L463 T469A416-F460 WeakPolarHBondContact CA-O 3.41Å; A416-F460 HydrophobicContact CB-CB 4.23Å; A416-F460 WeakPolarHBondContact CB-O 3.34Å; A416-F460 PolarHBondContact N-O 2.95Å; A416-F460 PolarHBondContact O-N 2.87Å; L418-F460 HydrophobicContact CB-CD2 4.27Å; L418-F460 HydrophobicContact CB-CE2 3.83Å; L418-F460 HydrophobicContact CD2-CE2 3.98Å; L418-F460 HydrophobicContact CD2-CZ 4.4Å; C434-F460 WeakPolarHBondContact O-CD1 3.16Å; C435-F460 HydrophobicContact CB-CD1 3.8Å; C435-F460 HydrophobicContact CB-CD2 4.33Å; C435-F460 HydrophobicContact CB-CE1 3.4Å; C435-F460 VanDerWaalsContact CB-CE1 3.4Å; C435-F460 HydrophobicContact CB-CE2 3.93Å; C435-F460 HydrophobicContact CB-CG 4.26Å; C435-F460 HydrophobicContact CB-CZ 3.46Å; C435-F460 VanDerWaalsContact CB-CZ 3.46Å; W458-F460 HydrophobicContact CB-CE2 3.91Å; F460-S462 PolarHBondContact O-N 3.44Å; F460-L463 HydrophobicContact CB-CD1 4.22Å; F460-L463 HydrophobicContact CB-CD2 3.72Å; F460-L463 HydrophobicContact CB-CG 3.63Å; F460-L463 HydrophobicContact CD1-CD2 3.44Å; F460-L463 VanDerWaalsContact CD1-CD2 3.44Å; F460-L463 HydrophobicContact CD1-CG 4.33Å; F460-L463 HydrophobicContact CD2-CD2 4.32Å; F460-L463 HydrophobicContact CE1-CD2 4.05Å; F460-L463 HydrophobicContact CG-CD1 4.49Å; F460-L463 HydrophobicContact CG-CD2 3.59Å; F460-L463 HydrophobicContact CG-CG 4.04Å; F460-T469 WeakPolarHBondContact CE1-OG1 3.48Å; F460-T469 WeakPolarHBondContact CZ-OG1 3.17Å
461C97.6Very high96.5Very high0 Ų012 Ų120%07%0.067CC..EExtended strand (participates in β ladder)trans-69.2-26.9179.5-570000111.7H355 A356 T379 F414 N415H355-C461 VanDerWaalsContact O-CB 3.24Å; H355-C461 WeakPolarHBondContact O-CB 3.44Å; H355-C461 PolarHBondContact O-SG 3.06Å; A356-C461 HydrophobicContact CB-CB 4.12Å; T379-C461 WeakPolarHBondContact O-CA 3.33Å; T379-C461 WeakPolarHBondContact O-CB 3.33Å; T379-C461 PolarHBondContact O-N 3.46Å; F414-C461 CarbonylContact C-O 3.4Å; F414-C461 VanDerWaalsContact CA-O 3.31Å; F414-C461 WeakPolarHBondContact CA-O 3.4Å; N415-C461 PolarHBondContact N-O 3.39Å
462S96.7Very high96.7Very high0 Ų011.4 Ų11.40%06%0.061CC..EExtended strand (participates in β ladder)trans-133.8139.4169.5153.20000109.8R297 T379 G380 G413 F460R297-S462 VanDerWaalsContact NH1-CB 3.28Å; R297-S462 PolarHBondContact NH1-OG 3.13Å; R297-S462 PolarHBondContact NH2-OG 2.64Å; T379-S462 PolarHBondContact O-N 3.24Å; G380-S462 VanDerWaalsContact O-CB 3.22Å; G380-S462 WeakPolarHBondContact O-CB 3.38Å; G380-S462 PolarHBondContact O-OG 2.7Å; G413-S462 CarbonylContact O-C 3.51Å; G413-S462 WeakPolarHBondContact O-CA 3.19Å; F460-S462 PolarHBondContact O-N 3.44Å
463L95.6Very high96.8Very high0 Ų08.8 Ų8.80%05%0.047CC..EExtended strand (participates in β ladder)trans-127.1137.8168.5-78173.6000108.9P43 F44 M412 G413 A416 F460 T495P43-L463 HydrophobicContact CB-CD1 4.38Å; P43-L463 HydrophobicContact CG-CD1 4.48Å; P43-L463 HydrophobicContact CG-CD2 4.29Å; F44-L463 HydrophobicContact CD2-CB 3.73Å; F44-L463 HydrophobicContact CE1-CD1 4.48Å; F44-L463 HydrophobicContact CE2-CB 3.38Å; F44-L463 HydrophobicContact CE2-CD1 4.27Å; F44-L463 HydrophobicContact CE2-CG 4.48Å; F44-L463 HydrophobicContact CZ-CB 4.01Å; F44-L463 HydrophobicContact CZ-CD1 4.06Å; M412-L463 CarbonylContact C-O 3.54Å; M412-L463 VanDerWaalsContact CA-O 3.23Å; M412-L463 WeakPolarHBondContact CA-O 3.43Å; G413-L463 PolarHBondContact N-O 2.76Å; G413-L463 PolarHBondContact O-N 3.04Å; A416-L463 HydrophobicContact CB-CD1 3.44Å; A416-L463 VanDerWaalsContact CB-CD1 3.44Å; A416-L463 HydrophobicContact CB-CG 4.12Å; F460-L463 HydrophobicContact CB-CD1 4.22Å; F460-L463 HydrophobicContact CB-CD2 3.72Å; F460-L463 HydrophobicContact CB-CG 3.63Å; F460-L463 HydrophobicContact CD1-CD2 3.44Å; F460-L463 VanDerWaalsContact CD1-CD2 3.44Å; F460-L463 HydrophobicContact CD1-CG 4.33Å; F460-L463 HydrophobicContact CD2-CD2 4.32Å; F460-L463 HydrophobicContact CE1-CD2 4.05Å; F460-L463 HydrophobicContact CG-CD1 4.49Å; F460-L463 HydrophobicContact CG-CD2 3.59Å; F460-L463 HydrophobicContact CG-CG 4.04Å; L463-T495 HydrophobicContact CD1-CG2 3.69Å
464T94.6Very high96.6Very high11 Ų1110 Ų107%0.0675%0.053CC..  trans-126.3167.4173.467.90000110M412 H466 S467M412-T464 HydrophobicContact CB-CG2 4.32Å; T464-H466 PolarHBondContact O-N 3.3Å; T464-H466 VanDerWaalsContact O-N 3.07Å; T464-H466 PolarHBondContact OG1-N 3.26Å; T464-S467 PolarHBondContact N-OG 3.49Å; T464-S467 WeakPolarHBondContact O-CB 3.36Å; T464-S467 PolarHBondContact O-N 3.2Å; T464-S467 PolarHBondContact O-OG 3.1Å; T464-S467 PolarHBondContact OG1-N 3.18Å; T464-S467 PolarHBondContact OG1-OG 2.69Å; T464-S467 VanDerWaalsContact OG1-OG 3.07Å
465P92.9Very high96.3Very high20 Ų209.7 Ų9.713%0.135%0.05CC..THydrogen-bonded Turntrans-55.6-19.7171.6-28.535000114.7T42 F44 Y46 K411T42-P465 WeakPolarHBondContact CG2-O 3.41Å; F44-P465 WeakPolarHBondContact O-CA 3.44Å; Y46-P465 HydrophobicContact CD2-CB 3.85Å; Y46-P465 HydrophobicContact CD2-CG 4.05Å; Y46-P465 HydrophobicContact CE2-CB 3.45Å; Y46-P465 VanDerWaalsContact CE2-CB 3.45Å; Y46-P465 HydrophobicContact CE2-CG 3.16Å; Y46-P465 WeakPolarHBondContact OH-CG 3.41Å; K411-P465 HydrophobicContact CB-CG 4.24Å; K411-P465 WeakPolarHBondContact O-CD 3.39Å
466H91.6Very high95.2Very high50 Ų5010.5 Ų10.523%0.2316%0.058CC..THydrogen-bonded Turntrans-88.2-18.3176.6-60.4-80.8000113T464 T468 T622 E623T464-H466 PolarHBondContact O-N 3.3Å; T464-H466 VanDerWaalsContact O-N 3.07Å; T464-H466 PolarHBondContact OG1-N 3.26Å; H466-T468 PolarHBondContact O-N 3.23Å; H466-T468 PolarHBondContact O-OG1 3.25Å; H466-T622 CarbonylContact O-C 3.51Å; H466-E623 WeakPolarHBondContact CB-OE1 3.35Å; H466-E623 IonicContact CG-OE1 3.58Å; H466-E623 IonicContact ND1-OE1 3.15Å; H466-E623 IonicContact ND1-OE2 3.53Å; H466-E623 PolarHBondContact ND1-OE2 3.11Å
467S96Very high93.9Very high12 Ų1210.7 Ų10.78%0.0846%0.06CC..  trans-69.496.9-172.7-59.10000112.2P43 T464P43-S467 WeakPolarHBondContact CD-O 3.44Å; T464-S467 PolarHBondContact N-OG 3.49Å; T464-S467 WeakPolarHBondContact O-CB 3.36Å; T464-S467 PolarHBondContact O-N 3.2Å; T464-S467 PolarHBondContact O-OG 3.1Å; T464-S467 PolarHBondContact OG1-N 3.18Å; T464-S467 PolarHBondContact OG1-OG 2.69Å; T464-S467 VanDerWaalsContact OG1-OG 3.07Å
468T98Very high92.5Very high2 Ų212.7 Ų12.71%0.0128%0.078CC..  trans-116.2119.4-177.3-53.50000111.1H40 F41 T42 H466 R540 T622 E623H40-T468 HydrophobicContact CB-CG2 4Å; F41-T468 WeakPolarHBondContact O-CA 3.4Å; T42-T468 WeakPolarHBondContact OG1-CG2 3.41Å; T42-T468 PolarHBondContact OG1-OG1 3.42Å; H466-T468 PolarHBondContact O-N 3.23Å; H466-T468 PolarHBondContact O-OG1 3.25Å; T468-R540 PolarHBondContact O-NH1 3.14Å; T468-R540 PolarHBondContact O-NH2 2.81Å; T468-R540 VanDerWaalsContact O-NH2 3.15Å; T468-T622 WeakPolarHBondContact CA-O 3.4Å; T468-T622 WeakPolarHBondContact CB-O 3.49Å; T468-T622 PolarHBondContact N-O 3.1Å; T468-E623 WeakPolarHBondContact CB-O 3.35Å
469T98.4Very high91.1Very high4 Ų419.8 Ų19.83%0.02511%0.111CC..EExtended strand (participates in β ladder)trans-109.3139.2178.8-58.70000110.7F41 A431 F460 F471F41-T469 PolarHBondContact N-O 2.85Å; F41-T469 PolarHBondContact O-N 3.16Å; A431-T469 HydrophobicContact CB-CG2 3.82Å; F460-T469 WeakPolarHBondContact CE1-OG1 3.48Å; F460-T469 WeakPolarHBondContact CZ-OG1 3.17Å; T469-F471 HydrophobicContact CG2-CD1 4.47Å; T469-F471 HydrophobicContact CG2-CD2 4.44Å; T469-F471 HydrophobicContact CG2-CE1 3.85Å; T469-F471 HydrophobicContact CG2-CE2 3.8Å; T469-F471 HydrophobicContact CG2-CZ 3.45Å; T469-F471 VanDerWaalsContact CG2-CZ 3.45Å
470T98.7Very high89.8Confident0 Ų022.3 Ų22.30%014%0.141CC..EExtended strand (participates in β ladder)trans-93.3115.4174.7-51.40000109.3A38 C39 H40 A431 L432 A537 R540A38-T470 HydrophobicContact CB-CG2 3.78Å; C39-T470 CarbonylContact O-C 3.32Å; C39-T470 WeakPolarHBondContact O-CA 3.37Å; H40-T470 PolarHBondContact CE1-OG1 3.43Å; H40-T470 VanDerWaalsContact CE1-OG1 3.23Å; H40-T470 PolarHBondContact ND1-OG1 2.96Å; A431-T470 CarbonylContact C-O 3.56Å; A431-T470 WeakPolarHBondContact CA-O 3.49Å; L432-T470 PolarHBondContact N-O 3.41Å; L432-T470 PolarHBondContact O-N 3.18Å; T470-A537 HydrophobicContact CG2-CB 4.31Å; T470-R540 WeakPolarHBondContact OG1-CD 3.23Å; T470-R540 PolarHBondContact OG1-NH1 2.91Å
471F98.6Very high88.8Confident0 Ų026.2 Ų26.20%016%0.162CC..EExtended strand (participates in β ladder)trans-96.7128.6174.3-62.4-78.3000110A38 C39 F41 L418 I420 L428 G430 A431 W458 T469 F473 F493A38-F471 CarbonylContact C-O 3.47Å; A38-F471 WeakPolarHBondContact CA-O 3.42Å; C39-F471 PolarHBondContact N-O 3.49Å; C39-F471 PolarHBondContact O-N 3.35Å; F41-F471 HydrophobicContact CB-CD2 4.07Å; F41-F471 HydrophobicContact CB-CE2 3.97Å; F41-F471 HydrophobicContact CD1-CE2 4.04Å; L418-F471 HydrophobicContact CD2-CE1 4.03Å; L418-F471 HydrophobicContact CD2-CE2 3.85Å; L418-F471 HydrophobicContact CD2-CZ 3.26Å; I420-F471 HydrophobicContact CD1-CB 4.15Å; I420-F471 HydrophobicContact CD1-CD1 3.33Å; I420-F471 HydrophobicContact CD1-CD2 3.95Å; I420-F471 HydrophobicContact CD1-CE1 3.66Å; I420-F471 HydrophobicContact CD1-CE2 4.24Å; I420-F471 HydrophobicContact CD1-CG 3.5Å; I420-F471 VanDerWaalsContact CD1-CG 3.5Å; I420-F471 HydrophobicContact CD1-CZ 4.12Å; L428-F471 HydrophobicContact CD1-CB 4.35Å; G430-F471 WeakPolarHBondContact O-CA 2.9Å; A431-F471 HydrophobicContact CB-CD1 3.78Å; A431-F471 HydrophobicContact CB-CE1 3.66Å; W458-F471 AromaticContact CD2-CE1 3.97Å; W458-F471 HydrophobicContact CD2-CE1 3.97Å; W458-F471 HydrophobicContact CE3-CD1 4.35Å; W458-F471 AromaticContact CE3-CE1 3.68Å; W458-F471 HydrophobicContact CE3-CE1 3.68Å; W458-F471 AromaticContact CH2-CD1 3.76Å; W458-F471 HydrophobicContact CH2-CD1 3.76Å; W458-F471 AromaticContact CH2-CE1 3.9Å; W458-F471 HydrophobicContact CH2-CE1 3.9Å; W458-F471 HydrophobicContact CZ2-CD1 4.23Å; W458-F471 HydrophobicContact CZ2-CE1 4.23Å; W458-F471 AromaticContact CZ3-CD1 3.86Å; W458-F471 HydrophobicContact CZ3-CD1 3.86Å; W458-F471 AromaticContact CZ3-CE1 3.65Å; W458-F471 HydrophobicContact CZ3-CE1 3.65Å; T469-F471 HydrophobicContact CG2-CD1 4.47Å; T469-F471 HydrophobicContact CG2-CD2 4.44Å; T469-F471 HydrophobicContact CG2-CE1 3.85Å; T469-F471 HydrophobicContact CG2-CE2 3.8Å; T469-F471 HydrophobicContact CG2-CZ 3.45Å; T469-F471 VanDerWaalsContact CG2-CZ 3.45Å; F471-F473 HydrophobicContact CB-CE2 3.71Å; F471-F473 HydrophobicContact CB-CZ 4.01Å; F471-F473 WeakPolarHBondContact O-CD2 3.43Å; F471-F473 WeakPolarHBondContact O-CE2 3.27Å; F471-F493 AromaticContact CD2-CE1 3.84Å; F471-F493 HydrophobicContact CD2-CE1 3.84Å; F471-F493 HydrophobicContact CE2-CE1 4.26Å; F471-F493 HydrophobicContact CG-CE1 4.4Å
472L98Very high88.1Confident0 Ų031.3 Ų31.30%020%0.195CC..EExtended strand (participates in β ladder)trans-98.9130.4-179.2-65.3164.9000109.7P36 A38 E429 G430 L432 I450 L541P36-L472 HydrophobicContact CB-CD2 4.04Å; P36-L472 HydrophobicContact CG-CD2 3.79Å; A38-L472 HydrophobicContact CB-CD2 3.74Å; E429-L472 HydrophobicContact CB-CB 3.99Å; E429-L472 PolarHBondContact N-O 3.03Å; G430-L472 PolarHBondContact O-N 2.93Å; L432-L472 HydrophobicContact CD1-CD1 3.98Å; L432-L472 HydrophobicContact CG-CD1 4.17Å; I450-L472 HydrophobicContact CB-CD1 3.78Å; I450-L472 HydrophobicContact CD1-CD1 4.21Å; I450-L472 HydrophobicContact CG2-CD1 3.45Å; I450-L472 VanDerWaalsContact CG2-CD1 3.45Å; L472-L541 HydrophobicContact CD1-CD2 4.01Å; L472-L541 HydrophobicContact CD2-CD1 4.45Å
473F96.6Very high87.5Confident4 Ų434.5 Ų34.52%0.01821%0.212CC..EExtended strand (participates in β ladder)trans-120.5140.1-178.7-60.1-94.3000110.6F18 L37 C39 I420 L426 K427 L428 F471 V491F18-F473 HydrophobicContact CE1-CE2 4.48Å; L37-F473 HydrophobicContact CB-CB 4.46Å; L37-F473 HydrophobicContact CD2-CB 4Å; L37-F473 HydrophobicContact CG-CB 4.07Å; L37-F473 PolarHBondContact O-N 3.08Å; C39-F473 HydrophobicContact CB-CE2 3.81Å; I420-F473 HydrophobicContact CG2-CE1 4.27Å; I420-F473 HydrophobicContact CG2-CZ 4.45Å; L426-F473 HydrophobicContact CD2-CB 4.33Å; K427-F473 CarbonylContact O-C 3.59Å; K427-F473 WeakPolarHBondContact O-CA 3.22Å; L428-F473 HydrophobicContact CD1-CD1 3.87Å; L428-F473 HydrophobicContact CD1-CE1 3.57Å; L428-F473 HydrophobicContact CD1-CG 4.48Å; L428-F473 HydrophobicContact CD1-CZ 3.93Å; F471-F473 HydrophobicContact CB-CE2 3.71Å; F471-F473 HydrophobicContact CB-CZ 4.01Å; F471-F473 WeakPolarHBondContact O-CD2 3.43Å; F471-F473 WeakPolarHBondContact O-CE2 3.27Å; F473-V491 HydrophobicContact CE1-CG1 4.17Å; F473-V491 HydrophobicContact CE1-CG2 4.23Å; F473-V491 HydrophobicContact CZ-CG1 3.96Å; F473-V491 HydrophobicContact CZ-CG2 4.4Å
474E93.2Very high86.8Confident25 Ų2535.7 Ų35.712%0.11722%0.219CC..EExtended strand (participates in β ladder)trans-94.7119.1164.1178.9-178.9-169.500108.1R27 L426 K427 E429 S446R27-E474 IonicContact CZ-OE1 3.62Å; R27-E474 IonicContact NE-OE1 2.74Å; R27-E474 PolarHBondContact NE-OE1 3.23Å; R27-E474 IonicContact NH2-OE1 3.63Å; R27-E474 PolarHBondContact NH2-OE1 3.05Å; R27-E474 IonicContact NH2-OE2 3.05Å; L426-E474 WeakPolarHBondContact CA-O 3.34Å; K427-E474 HydrophobicContact CB-CB 4.22Å; K427-E474 PolarHBondContact N-O 3.2Å; K427-E474 PolarHBondContact O-N 3.22Å; E429-E474 HydrophobicContact CG-CB 4.08Å; S446-E474 PolarHBondContact OG-OE2 2.87Å
475A89.2Confident85.8Confident4 Ų441.7 Ų41.73%0.03326%0.258CS..EExtended strand (participates in β ladder)trans-95145.4178.700000112.4A30 L37 L426 W515A30-A475 HydrophobicContact CB-CB 4.08Å; A30-A475 WeakPolarHBondContact CB-O 3.16Å; L37-A475 HydrophobicContact CD2-CB 3.84Å; L426-A475 HydrophobicContact CD2-CB 4.14Å; A475-W515 HydrophobicContact CB-CH2 4.23Å; A475-W515 HydrophobicContact CB-CZ3 4.08Å
476G75.4Confident85.1Confident16 Ų1643.8 Ų43.817%0.16528%0.284CS..  trans120.4137161.200000113.3H25 E425H25-G476 CarbonylContact O-C 3.56Å; H25-G476 WeakPolarHBondContact O-CA 3.08Å; E425-G476 CarbonylContact O-C 3.54Å; E425-G476 PolarHBondContact O-N 2.81Å
477G69.8Low85Confident6 Ų642.4 Ų42.46%0.06228%0.283CS..BIsolated β-bridgetrans-72.4169.3168.800000111.9H25 H479H25-G477 PolarHBondContact O-N 2.84Å; G477-H479 PolarHBondContact O-N 2.91Å
478P68.6Low84.9Confident94 Ų9446.8 Ų46.861%0.6130%0.297SS*.SBendtrans-45.5137.3163.4-2530.8000111.1G480 N481P478-G480 PolarHBondContact O-N 3.46Å; P478-N481 WeakPolarHBondContact CD-ND2 3.35Å; P478-N481 WeakPolarHBondContact O-CB 3.4Å; P478-N481 PolarHBondContact O-N 2.79Å
479H69.4Low84.7Confident149 Ų14946.7 Ų46.769%0.6930%0.297SS*.THydrogen-bonded Turntrans-53.4134179.9-177.575.3000110.9G477G477-H479 PolarHBondContact O-N 2.91Å
480G68.9Low84.6Confident68 Ų6848.1 Ų48.170%0.70130%0.302SS*.THydrogen-bonded Turntrans91.6-7-178.600000115.7P478P478-G480 PolarHBondContact O-N 3.46Å
481N77.8Confident84.5Confident85 Ų8548.1 Ų48.146%0.45530%0.302SS..PPolyproline II helixtrans-70.6139.1173.6-79-10.6000111.3H25 P478H25-N481 PolarHBondContact CE1-O 3.22Å; H25-N481 PolarHBondContact ND1-O 3.14Å; P478-N481 WeakPolarHBondContact CD-ND2 3.35Å; P478-N481 WeakPolarHBondContact O-CB 3.4Å; P478-N481 PolarHBondContact O-N 2.79Å
482P82.6Confident84.5Confident107 Ų10748.1 Ų48.170%0.69530%0.302SS*.PPolyproline II helixtrans-69.3152174.330.1-34.7000110.5H25H25-P482 VanDerWaalsContact CE1-C 3.48Å; H25-P482 PolarHBondContact CE1-O 3.04Å
483I84.2Confident84.6Confident68 Ų6848.1 Ų48.135%0.34930%0.302SS..PPolyproline II helixtrans-54.4134.4171.4-66.5173.2000108.8H25 W515H25-I483 HydrophobicContact CB-CG1 3.94Å; I483-W515 HydrophobicContact CG2-CB 3.89Å
484P81Confident84.7Confident24 Ų2448.3 Ų48.316%0.15630%0.303CS..PPolyproline II helixtrans-58.7150.8-177.6-25.634.9000112.4H25 E425 G486 G487H25-P484 WeakPolarHBondContact NE2-CD 3.47Å; E425-P484 HydrophobicContact CG-CG 4.08Å; E425-P484 WeakPolarHBondContact OE1-CG 3.45Å; P484-G486 PolarHBondContact O-N 3.32Å; P484-G487 PolarHBondContact O-N 3.41Å
485P73.2Confident84.9Confident137 Ų13747.2 Ų47.289%0.8930%0.298SS*.THydrogen-bonded Turntrans-52.2128.2171.4-25.133.8000111.3
486G78.4Confident85.3Confident65 Ų6550.1 Ų50.167%0.6731%0.311SS*.THydrogen-bonded Turntrans92.2-11.5-174.300000114.7P484 R488P484-G486 PolarHBondContact O-N 3.32Å; G486-R488 PolarHBondContact O-N 2.69Å; G486-R488 VanDerWaalsContact O-N 3.16Å
487G88.9Confident86.3Confident20 Ų2049.7 Ų49.721%0.20631%0.305CS..SBendtrans65.218.2169.200000115.3P484 N514 W515P484-G487 PolarHBondContact O-N 3.41Å; G487-N514 CarbonylContact O-C 3.55Å; G487-N514 WeakPolarHBondContact O-CA 3.21Å; G487-W515 PolarHBondContact O-N 2.99Å
488R93Very high87.5Confident104 Ų10449.5 Ų49.539%0.39230%0.302SS..EExtended strand (participates in β ladder)trans-126.4141.6-173.7-71.5175.1-177.4-170.78.7112.3G486 Y490 C512 R513 N514 W515G486-R488 PolarHBondContact O-N 2.69Å; G486-R488 VanDerWaalsContact O-N 3.16Å; R488-Y490 HydrophobicContact CB-CE1 4.48Å; R488-Y490 HydrophobicContact CB-CE2 4.11Å; R488-C512 HydrophobicContact CB-CB 4.44Å; R488-R513 CarbonylContact C-O 3.58Å; R488-R513 VanDerWaalsContact CA-O 3.28Å; R488-R513 WeakPolarHBondContact CA-O 3.32Å; R488-N514 VanDerWaalsContact CG-OD1 3.3Å; R488-N514 WeakPolarHBondContact CG-OD1 3.32Å; R488-N514 PolarHBondContact NE-OD1 2.79Å; R488-W515 VanDerWaalsContact C-NE1 3.34Å; R488-W515 PolarHBondContact O-NE1 3.25Å
489G94Very high88.6Confident0 Ų045.6 Ų45.60%028%0.276CS..EExtended strand (participates in β ladder)trans-99.3140.4165.900000109.4W23 C512 R513W23-G489 WeakPolarHBondContact CZ3-O 3.38Å; G489-C512 CarbonylContact O-C 3.57Å; G489-C512 WeakPolarHBondContact O-CA 3.34Å; G489-C512 VanDerWaalsContact O-CB 3.29Å; G489-C512 WeakPolarHBondContact O-CB 3.46Å; G489-R513 PolarHBondContact N-O 3.34Å; G489-R513 PolarHBondContact O-N 2.8Å
490Y96.7Very high89.6Confident35 Ų3538.8 Ų38.814%0.13725%0.245CC..EExtended strand (participates in β ladder)trans-115143.3-176.1-60.3-85.3000110.4Y76 P89 A422 S423 R488 T511 C512Y76-Y490 HydrophobicContact CD1-CE1 4.01Å; Y76-Y490 HydrophobicContact CD2-CD1 4.25Å; Y76-Y490 HydrophobicContact CD2-CE1 4.3Å; Y76-Y490 HydrophobicContact CG-CD1 4.1Å; Y76-Y490 AromaticContact CG-CE1 3.69Å; Y76-Y490 HydrophobicContact CG-CE1 3.69Å; P89-Y490 HydrophobicContact CB-CD1 4.17Å; P89-Y490 HydrophobicContact CB-CD2 4.12Å; P89-Y490 HydrophobicContact CB-CE1 4.09Å; P89-Y490 HydrophobicContact CB-CE2 4.03Å; P89-Y490 HydrophobicContact CB-CG 4.19Å; A422-Y490 CarbonylContact C-O 3.57Å; A422-Y490 WeakPolarHBondContact CA-O 3.24Å; A422-Y490 WeakPolarHBondContact CB-O 3.18Å; S423-Y490 PolarHBondContact N-O 3.06Å; S423-Y490 PolarHBondContact OG-N 2.93Å; R488-Y490 HydrophobicContact CB-CE1 4.48Å; R488-Y490 HydrophobicContact CB-CE2 4.11Å; Y490-T511 WeakPolarHBondContact CA-O 3.26Å; Y490-C512 HydrophobicContact CD1-CB 3.49Å; Y490-C512 VanDerWaalsContact CD1-CB 3.49Å; Y490-C512 HydrophobicContact CE1-CB 3.63Å; Y490-C512 HydrophobicContact CG-CB 4.3Å
491V97.9Very high90.4Very high0 Ų038.5 Ų38.50%023%0.232CC..EExtended strand (participates in β ladder)trans-131.7132.3169.2-176.80000107.9W23 I420 K421 A422 L426 F473 F493 T510 T511W23-V491 HydrophobicContact CH2-CG2 4.03Å; I420-V491 HydrophobicContact CG2-CG1 3.96Å; K421-V491 CarbonylContact O-C 3.55Å; K421-V491 WeakPolarHBondContact O-CA 3.49Å; A422-V491 HydrophobicContact CB-CG2 4.2Å; L426-V491 HydrophobicContact CD1-CG2 3.69Å; F473-V491 HydrophobicContact CE1-CG1 4.17Å; F473-V491 HydrophobicContact CE1-CG2 4.23Å; F473-V491 HydrophobicContact CZ-CG1 3.96Å; F473-V491 HydrophobicContact CZ-CG2 4.4Å; V491-F493 HydrophobicContact CB-CE2 4.3Å; V491-F493 HydrophobicContact CG1-CD2 4.16Å; V491-F493 HydrophobicContact CG1-CE1 4.28Å; V491-F493 HydrophobicContact CG1-CE2 3.55Å; V491-F493 HydrophobicContact CG1-CZ 3.62Å; V491-T510 WeakPolarHBondContact O-CA 3.38Å; V491-T511 HydrophobicContact CB-CG2 4.19Å; V491-T511 PolarHBondContact N-O 3Å; V491-T511 PolarHBondContact O-N 3.48Å
492Q98.5Very high90.7Very high0 Ų034.9 Ų34.90%021%0.214CC..EExtended strand (participates in β ladder)trans-124.9119.8177.6-177.8173.380.300109.6A71 V72 N74 L90 I420 K421 I494 V508 T509 T510A71-Q492 VanDerWaalsContact CA-OE1 3.3Å; V72-Q492 PolarHBondContact O-NE2 3.16Å; N74-Q492 PolarHBondContact ND2-NE2 2.75Å; L90-Q492 HydrophobicContact CD2-CB 4.31Å; I420-Q492 WeakPolarHBondContact CA-O 3.17Å; K421-Q492 HydrophobicContact CB-CB 4.45Å; K421-Q492 PolarHBondContact N-O 3.35Å; K421-Q492 PolarHBondContact O-N 3.11Å; Q492-I494 HydrophobicContact CG-CD1 4.43Å; Q492-I494 HydrophobicContact CG-CG1 3.98Å; Q492-V508 HydrophobicContact CG-CG1 3.98Å; Q492-T509 CarbonylContact C-O 3.55Å; Q492-T509 WeakPolarHBondContact CA-O 3.43Å; Q492-T510 HydrophobicContact CB-CG2 4.19Å; Q492-T510 PolarHBondContact NE2-OG1 2.84Å
493F98.6Very high91Very high0 Ų034 Ų340%020%0.201CC..EExtended strand (participates in β ladder)trans-97.4125.9174.2-56.9-92.8000108.7I16 C39 F41 L418 I420 F471 V491 V508 T509 T511I16-F493 HydrophobicContact CG2-CE2 4.41Å; C39-F493 HydrophobicContact CB-CZ 4.37Å; F41-F493 HydrophobicContact CB-CD1 4.48Å; F41-F493 HydrophobicContact CB-CE1 4.12Å; F41-F493 HydrophobicContact CB-CZ 4.38Å; F41-F493 HydrophobicContact CD1-CB 4.22Å; F41-F493 AromaticContact CD1-CD1 3.49Å; F41-F493 HydrophobicContact CD1-CD1 3.49Å; F41-F493 VanDerWaalsContact CD1-CD1 3.49Å; F41-F493 AromaticContact CD1-CE1 3.97Å; F41-F493 HydrophobicContact CD1-CE1 3.97Å; F41-F493 AromaticContact CD1-CG 3.89Å; F41-F493 HydrophobicContact CD1-CG 3.89Å; F41-F493 HydrophobicContact CD2-CD2 4.45Å; F41-F493 HydrophobicContact CD2-CG 4.39Å; F41-F493 HydrophobicContact CE1-CB 3.54Å; F41-F493 AromaticContact CE1-CD1 3.72Å; F41-F493 HydrophobicContact CE1-CD1 3.72Å; F41-F493 AromaticContact CE1-CG 3.73Å; F41-F493 HydrophobicContact CE1-CG 3.73Å; F41-F493 HydrophobicContact CE2-CB 4.28Å; F41-F493 HydrophobicContact CE2-CD2 4.4Å; F41-F493 HydrophobicContact CE2-CG 4.25Å; F41-F493 AromaticContact CG-CD1 3.94Å; F41-F493 HydrophobicContact CG-CD1 3.94Å; F41-F493 HydrophobicContact CG-CE1 4.05Å; F41-F493 HydrophobicContact CG-CG 4.22Å; F41-F493 HydrophobicContact CG-CZ 4.42Å; F41-F493 HydrophobicContact CZ-CB 3.57Å; F41-F493 HydrophobicContact CZ-CD1 4.35Å; F41-F493 HydrophobicContact CZ-CD2 4.48Å; F41-F493 AromaticContact CZ-CG 3.91Å; F41-F493 HydrophobicContact CZ-CG 3.91Å; L418-F493 HydrophobicContact CD1-CB 3.97Å; L418-F493 HydrophobicContact CD1-CD1 4.35Å; I420-F493 HydrophobicContact CD1-CD1 3.72Å; I420-F493 HydrophobicContact CD1-CE1 3.54Å; I420-F493 HydrophobicContact CG1-CD1 3.72Å; I420-F493 HydrophobicContact CG1-CE1 4.03Å; F471-F493 AromaticContact CD2-CE1 3.84Å; F471-F493 HydrophobicContact CD2-CE1 3.84Å; F471-F493 HydrophobicContact CE2-CE1 4.26Å; F471-F493 HydrophobicContact CG-CE1 4.4Å; V491-F493 HydrophobicContact CB-CE2 4.3Å; V491-F493 HydrophobicContact CG1-CD2 4.16Å; V491-F493 HydrophobicContact CG1-CE1 4.28Å; V491-F493 HydrophobicContact CG1-CE2 3.55Å; V491-F493 HydrophobicContact CG1-CZ 3.62Å; F493-V508 WeakPolarHBondContact O-CA 3.27Å; F493-T509 HydrophobicContact CD2-CG2 4.3Å; F493-T509 PolarHBondContact N-O 3.37Å; F493-T509 PolarHBondContact O-N 2.96Å; F493-T511 HydrophobicContact CE2-CG2 4.42Å
494I98.5Very high91.4Very high8 Ų832.5 Ų32.54%0.04119%0.191CC..EExtended strand (participates in β ladder)trans-122.1101.8-179.1-53.9171.3000108.2V72 L418 E419 K421 Q492 Q496 I506 V508V72-I494 HydrophobicContact CG2-CD1 3.97Å; V72-I494 HydrophobicContact CG2-CG1 4.41Å; L418-I494 WeakPolarHBondContact CA-O 3.31Å; E419-I494 HydrophobicContact CB-CB 4.47Å; E419-I494 PolarHBondContact N-O 3.23Å; E419-I494 PolarHBondContact O-N 3.12Å; K421-I494 HydrophobicContact CD-CD1 3.85Å; K421-I494 HydrophobicContact CG-CD1 4.45Å; Q492-I494 HydrophobicContact CG-CD1 4.43Å; Q492-I494 HydrophobicContact CG-CG1 3.98Å; I494-Q496 HydrophobicContact CG2-CG 4.43Å; I494-I506 HydrophobicContact CG2-CG2 3.7Å; I494-V508 HydrophobicContact CG2-CG2 4.43Å
495T98.2Very high92Very high1 Ų132.3 Ų32.31%0.00619%0.188CC..EExtended strand (participates in β ladder)trans-101.6103.5-178.5-52.90000110P43 A416 L418 L463 I506 R507P43-T495 HydrophobicContact CB-CG2 4.24Å; A416-T495 HydrophobicContact CB-CG2 4.41Å; L418-T495 WeakPolarHBondContact CD1-OG1 3.4Å; L463-T495 HydrophobicContact CD1-CG2 3.69Å; T495-I506 CarbonylContact O-C 3.54Å; T495-I506 WeakPolarHBondContact O-CA 3.3Å; T495-R507 PolarHBondContact N-O 3.29Å; T495-R507 PolarHBondContact O-N 3.05Å
496Q96.8Very high93.2Very high65 Ų6526.4 Ų26.430%0.30415%0.148SC..EExtended strand (participates in β ladder)trans-92.6126.6173.3-52.2-17533.900109.6A416 T417 I494 K505 I506A416-Q496 CarbonylContact C-O 3.59Å; A416-Q496 WeakPolarHBondContact CA-O 3.34Å; T417-Q496 PolarHBondContact N-O 3.05Å; T417-Q496 PolarHBondContact O-N 3.25Å; I494-Q496 HydrophobicContact CG2-CG 4.43Å; Q496-K505 CarbonylContact C-O 3.16Å; Q496-K505 WeakPolarHBondContact CA-O 3.07Å; Q496-I506 HydrophobicContact CB-CG1 4.4Å; Q496-I506 HydrophobicContact CG-CD1 4.07Å; Q496-I506 HydrophobicContact CG-CG1 3.96Å; Q496-I506 HydrophobicContact CG-CG2 4.2Å
497Y96.3Very high94Very high8 Ų825.2 Ų25.23%0.03112%0.124CC..EExtended strand (participates in β ladder)trans-149.1164-17474.1-81.5000112.8F44 E121 H499 R504 K505 R507F44-Y497 AromaticContact CE1-CD1 3.86Å; F44-Y497 HydrophobicContact CE1-CD1 3.86Å; F44-Y497 HydrophobicContact CE1-CD2 4.28Å; F44-Y497 AromaticContact CE1-CE1 3.63Å; F44-Y497 HydrophobicContact CE1-CE1 3.63Å; F44-Y497 HydrophobicContact CE1-CE2 4.07Å; F44-Y497 HydrophobicContact CE1-CG 4.17Å; F44-Y497 AromaticContact CE1-CZ 3.74Å; F44-Y497 HydrophobicContact CE2-CD2 4.36Å; F44-Y497 HydrophobicContact CE2-CE2 4.33Å; F44-Y497 AromaticContact CZ-CD1 3.83Å; F44-Y497 HydrophobicContact CZ-CD1 3.83Å; F44-Y497 AromaticContact CZ-CD2 3.5Å; F44-Y497 HydrophobicContact CZ-CD2 3.5Å; F44-Y497 AromaticContact CZ-CE1 3.86Å; F44-Y497 HydrophobicContact CZ-CE1 3.86Å; F44-Y497 AromaticContact CZ-CE2 3.53Å; F44-Y497 HydrophobicContact CZ-CE2 3.53Å; F44-Y497 AromaticContact CZ-CG 3.65Å; F44-Y497 HydrophobicContact CZ-CG 3.65Å; F44-Y497 AromaticContact CZ-CZ 3.7Å; E121-Y497 PolarHBondContact OE1-OH 3.24Å; E121-Y497 WeakPolarHBondContact OE2-CE1 3.29Å; E121-Y497 PolarHBondContact OE2-OH 3.41Å; Y497-H499 HydrophobicContact CE2-CB 3.98Å; Y497-H499 AromaticContact CE2-CD2 3.99Å; Y497-R504 WeakPolarHBondContact O-CD 3.25Å; Y497-K505 HydrophobicContact CD1-CB 4.06Å; Y497-K505 HydrophobicContact CE1-CB 3.49Å; Y497-K505 VanDerWaalsContact CE1-CB 3.49Å; Y497-K505 HydrophobicContact CE1-CD 4.43Å; Y497-K505 HydrophobicContact CE2-CB 4.32Å; Y497-K505 HydrophobicContact CE2-CD 4.42Å; Y497-K505 PolarHBondContact N-O 2.75Å; Y497-K505 PolarHBondContact O-N 3.04Å; Y497-K505 VanDerWaalsContact OH-CD 3.26Å; Y497-K505 WeakPolarHBondContact OH-CD 3.35Å; Y497-R507 HydrophobicContact CE1-CB 4.41Å
498Q94.9Very high94.4Very high2 Ų224.4 Ų24.41%0.00912%0.115CC..EExtended strand (participates in β ladder)trans-91.9116.8169.9169.2177.1-6.300109.2T129 L130 F414T129-Q498 WeakPolarHBondContact OG1-CG 3.47Å; L130-Q498 PolarHBondContact O-NE2 2.76Å; F414-Q498 HydrophobicContact CB-CB 4.3Å; F414-Q498 HydrophobicContact CB-CG 4.49Å; F414-Q498 PolarHBondContact N-O 2.76Å; F414-Q498 WeakPolarHBondContact O-CB 3.09Å; F414-Q498 PolarHBondContact O-N 3.12Å
499H92.6Very high94.7Very high12 Ų1219.5 Ų19.56%0.05610%0.096CC..  trans-74.8150.4175-170.4-99.8000110.3Y497 S501 G502 Q503 K505Y497-H499 HydrophobicContact CE2-CB 3.98Å; Y497-H499 AromaticContact CE2-CD2 3.99Å; H499-S501 VanDerWaalsContact ND1-CB 3.32Å; H499-S501 WeakPolarHBondContact ND1-CB 3.39Å; H499-S501 PolarHBondContact ND1-N 2.87Å; H499-S501 PolarHBondContact ND1-OG 3.45Å; H499-S501 PolarHBondContact O-N 3.24Å; H499-G502 PolarHBondContact O-N 3.01Å; H499-Q503 WeakPolarHBondContact CB-O 3.48Å; H499-Q503 PolarHBondContact N-O 2.85Å; H499-K505 HydrophobicContact CB-CD 3.84Å; H499-K505 HydrophobicContact CB-CG 4.15Å; H499-K505 PolarHBondContact CD2-NZ 3.16Å; H499-K505 PolarHBondContact NE2-NZ 3.14Å
500P90.3Very high94.9Very high6 Ų619.5 Ų19.54%0.03910%0.096CC..THydrogen-bonded Turntrans-58.6-21.2178.2-2635.3000114.2P132 L410 M412 F414 G502P132-P500 WeakPolarHBondContact CD-O 3.49Å; L410-P500 HydrophobicContact CB-CB 4.08Å; L410-P500 HydrophobicContact CB-CG 3.97Å; L410-P500 WeakPolarHBondContact O-CG 3.28Å; M412-P500 HydrophobicContact CG-CG 4.24Å; M412-P500 WeakPolarHBondContact O-CD 3.21Å; M412-P500 WeakPolarHBondContact O-CG 3.48Å; F414-P500 HydrophobicContact CE2-CB 4.25Å; F414-P500 HydrophobicContact CE2-CG 3.93Å; P500-G502 PolarHBondContact O-N 2.85Å
501S85.2Confident94.9Very high61 Ų6117.9 Ų17.943%0.4279%0.09SC..THydrogen-bonded Turntrans-71-4.4172.3680000114.4H499 Q503H499-S501 VanDerWaalsContact ND1-CB 3.32Å; H499-S501 WeakPolarHBondContact ND1-CB 3.39Å; H499-S501 PolarHBondContact ND1-N 2.87Å; H499-S501 PolarHBondContact ND1-OG 3.45Å; H499-S501 PolarHBondContact O-N 3.24Å; S501-Q503 VanDerWaalsContact C-N 3.32Å; S501-Q503 PolarHBondContact OG-OE1 2.96Å
502G84Confident94.8Very high9 Ų918.5 Ų18.59%0.0939%0.094CC..SBendtrans82.44.9-173.300000114T129 H499 P500T129-G502 CarbonylContact C-O 3.58Å; T129-G502 WeakPolarHBondContact CA-O 3.26Å; T129-G502 PolarHBondContact N-O 3.46Å; T129-G502 PolarHBondContact OG1-O 3.19Å; H499-G502 PolarHBondContact O-N 3.01Å; P500-G502 PolarHBondContact O-N 2.85Å
503Q88.6Confident94.7Very high88 Ų8818.9 Ų18.941%0.41110%0.096SC..  trans-85.9144.2174.1-68.7173.9-27.500111.7T123 H499 S501T123-Q503 HydrophobicContact CG2-CB 4.16Å; T123-Q503 HydrophobicContact CG2-CG 4.29Å; H499-Q503 WeakPolarHBondContact CB-O 3.48Å; H499-Q503 PolarHBondContact N-O 2.85Å; S501-Q503 VanDerWaalsContact C-N 3.32Å; S501-Q503 PolarHBondContact OG-OE1 2.96Å
504R93.3Very high94.5Very high37 Ų3722.5 Ų22.514%0.1412%0.115CC..EExtended strand (participates in β ladder)trans-84.1128.7166.3-165.976.7177.4167.80.4109.1L124 A127 T129 N415 Y497L124-R504 HydrophobicContact CB-CB 4.41Å; L124-R504 HydrophobicContact CD1-CB 4.32Å; L124-R504 HydrophobicContact CD1-CG 3.88Å; L124-R504 PolarHBondContact N-O 3.29Å; A127-R504 HydrophobicContact CB-CB 4.43Å; A127-R504 WeakPolarHBondContact O-CB 3.15Å; T129-R504 HydrophobicContact CG2-CB 4.12Å; N415-R504 PolarHBondContact O-NH1 3.23Å; Y497-R504 WeakPolarHBondContact O-CD 3.25Å
505K94.7Very high94.2Very high20 Ų2022.6 Ų22.69%0.08712%0.115CC..EExtended strand (participates in β ladder)trans-125.2153.8-179.3-68.6-173.4167.4-170.50111.3E121 Y122 Q496 Y497 H499E121-K505 HydrophobicContact CG-CB 4.3Å; E121-K505 HydrophobicContact CG-CD 4.17Å; E121-K505 VanDerWaalsContact OE1-CD 3.25Å; E121-K505 WeakPolarHBondContact OE1-CD 3.45Å; E121-K505 WeakPolarHBondContact OE1-CE 3.12Å; E121-K505 IonicContact OE1-NZ 3.49Å; E121-K505 PolarHBondContact OE1-NZ 2.82Å; Y122-K505 CarbonylContact O-C 3.59Å; Y122-K505 WeakPolarHBondContact O-CA 3.34Å; Y122-K505 WeakPolarHBondContact O-CB 3.33Å; Q496-K505 CarbonylContact C-O 3.16Å; Q496-K505 WeakPolarHBondContact CA-O 3.07Å; Y497-K505 HydrophobicContact CD1-CB 4.06Å; Y497-K505 HydrophobicContact CE1-CB 3.49Å; Y497-K505 VanDerWaalsContact CE1-CB 3.49Å; Y497-K505 HydrophobicContact CE1-CD 4.43Å; Y497-K505 HydrophobicContact CE2-CB 4.32Å; Y497-K505 HydrophobicContact CE2-CD 4.42Å; Y497-K505 PolarHBondContact N-O 2.75Å; Y497-K505 PolarHBondContact O-N 3.04Å; Y497-K505 VanDerWaalsContact OH-CD 3.26Å; Y497-K505 WeakPolarHBondContact OH-CD 3.35Å; H499-K505 HydrophobicContact CB-CD 3.84Å; H499-K505 HydrophobicContact CB-CG 4.15Å; H499-K505 PolarHBondContact CD2-NZ 3.16Å; H499-K505 PolarHBondContact NE2-NZ 3.14Å
506I96.8Very high93.9Very high13 Ų1323.1 Ų23.17%0.06712%0.118CC..EExtended strand (participates in β ladder)trans-125.8113.3173-53.5-172000108.1P61 E121 Y122 L124 I494 T495 Q496 V508P61-I506 HydrophobicContact CG-CD1 4.04Å; E121-I506 CarbonylContact C-O 3.55Å; E121-I506 WeakPolarHBondContact CA-O 3.46Å; Y122-I506 PolarHBondContact N-O 2.97Å; Y122-I506 PolarHBondContact O-N 3.38Å; L124-I506 HydrophobicContact CD1-CD1 3.89Å; L124-I506 HydrophobicContact CD1-CG1 3.96Å; L124-I506 HydrophobicContact CD2-CD1 3.85Å; L124-I506 HydrophobicContact CD2-CG1 4.07Å; L124-I506 HydrophobicContact CG-CD1 4.24Å; L124-I506 HydrophobicContact CG-CG1 4.1Å; I494-I506 HydrophobicContact CG2-CG2 3.7Å; T495-I506 CarbonylContact O-C 3.54Å; T495-I506 WeakPolarHBondContact O-CA 3.3Å; Q496-I506 HydrophobicContact CB-CG1 4.4Å; Q496-I506 HydrophobicContact CG-CD1 4.07Å; Q496-I506 HydrophobicContact CG-CG1 3.96Å; Q496-I506 HydrophobicContact CG-CG2 4.2Å; I506-V508 HydrophobicContact CG2-CG2 3.84Å
507R96.6Very high93.4Very high41 Ų4122.9 Ų22.916%0.15512%0.119CC..EExtended strand (participates in β ladder)trans-96.1125.7171.8-168.6160.8176.3171-7.2109.4P43 K45 T119 I120 E121 T495 Y497P43-R507 WeakPolarHBondContact O-CD 3.21Å; P43-R507 PolarHBondContact O-NE 3.13Å; K45-R507 PolarHBondContact O-NH2 2.87Å; T119-R507 HydrophobicContact CG2-CG 4.33Å; I120-R507 CarbonylContact O-C 3.31Å; I120-R507 WeakPolarHBondContact O-CA 3.3Å; E121-R507 HydrophobicContact CB-CG 4.49Å; E121-R507 HydrophobicContact CG-CB 4.47Å; T495-R507 PolarHBondContact N-O 3.29Å; T495-R507 PolarHBondContact O-N 3.05Å; Y497-R507 HydrophobicContact CE1-CB 4.41Å
508V97.9Very high92.7Very high2 Ų222.8 Ų22.81%0.01212%0.12CC..EExtended strand (participates in β ladder)trans-119.3122.7-176.7-177.50000108.7V72 T119 I120 Y122 Q492 F493 I494 I506V72-V508 HydrophobicContact CB-CG1 4.1Å; V72-V508 HydrophobicContact CB-CG2 4.32Å; V72-V508 HydrophobicContact CG1-CG1 4.33Å; V72-V508 HydrophobicContact CG1-CG2 4.17Å; V72-V508 HydrophobicContact CG2-CG2 4.15Å; T119-V508 CarbonylContact C-O 3.58Å; T119-V508 VanDerWaalsContact CA-O 3.24Å; T119-V508 WeakPolarHBondContact CA-O 3.34Å; I120-V508 HydrophobicContact CG1-CB 4.21Å; I120-V508 PolarHBondContact N-O 3.03Å; I120-V508 PolarHBondContact O-N 3.43Å; Y122-V508 HydrophobicContact CD2-CG2 4.12Å; Y122-V508 HydrophobicContact CE2-CB 4.38Å; Y122-V508 HydrophobicContact CE2-CG2 3.85Å; Q492-V508 HydrophobicContact CG-CG1 3.98Å; F493-V508 WeakPolarHBondContact O-CA 3.27Å; I494-V508 HydrophobicContact CG2-CG2 4.43Å; I506-V508 HydrophobicContact CG2-CG2 3.84Å
509T98Very high92Very high1 Ų126.1 Ų26.11%0.00615%0.148CC..EExtended strand (participates in β ladder)trans-117.8118173.5-64.80000108.2D14 I16 F41 T118 T119 Q492 F493D14-T509 HydrophobicContact CB-CG2 3.85Å; I16-T509 HydrophobicContact CG2-CG2 4.49Å; F41-T509 HydrophobicContact CE2-CG2 4.09Å; T118-T509 WeakPolarHBondContact O-CA 3.31Å; T119-T509 VanDerWaalsContact CG2-OG1 3.29Å; T119-T509 WeakPolarHBondContact CG2-OG1 3.46Å; T119-T509 VanDerWaalsContact OG1-CB 3.3Å; T119-T509 WeakPolarHBondContact OG1-CB 3.48Å; T119-T509 WeakPolarHBondContact OG1-CG2 3.2Å; T119-T509 PolarHBondContact OG1-OG1 3.15Å; Q492-T509 CarbonylContact C-O 3.55Å; Q492-T509 WeakPolarHBondContact CA-O 3.43Å; F493-T509 HydrophobicContact CD2-CG2 4.3Å; F493-T509 PolarHBondContact N-O 3.37Å; F493-T509 PolarHBondContact O-N 2.96Å
510T98.2Very high91.5Very high1 Ų133 Ų331%0.00618%0.18CC..EExtended strand (participates in β ladder)trans-114.6130.8174.7-47.10000109.7N74 Y76 T118 V491 Q492N74-T510 HydrophobicContact CB-CG2 4.1Å; N74-T510 WeakPolarHBondContact CB-OG1 3.32Å; Y76-T510 HydrophobicContact CD2-CG2 3.76Å; Y76-T510 HydrophobicContact CE2-CG2 4.02Å; Y76-T510 WeakPolarHBondContact CE2-O 3.48Å; T118-T510 WeakPolarHBondContact CB-O 3.3Å; T118-T510 PolarHBondContact O-N 2.99Å; V491-T510 WeakPolarHBondContact O-CA 3.38Å; Q492-T510 HydrophobicContact CB-CG2 4.19Å; Q492-T510 PolarHBondContact NE2-OG1 2.84Å
511T97.1Very high91.2Very high0 Ų036.4 Ų36.40%020%0.195CC..EExtended strand (participates in β ladder)trans-134.9165178.9-165.60000110.9Q10 I16 F18 Y490 V491 F493 R513Q10-T511 PolarHBondContact OE1-OG1 3.08Å; I16-T511 HydrophobicContact CD1-CG2 3.79Å; I16-T511 WeakPolarHBondContact CD1-OG1 3.46Å; F18-T511 HydrophobicContact CE2-CG2 3.8Å; F18-T511 HydrophobicContact CZ-CG2 4.04Å; Y490-T511 WeakPolarHBondContact CA-O 3.26Å; V491-T511 HydrophobicContact CB-CG2 4.19Å; V491-T511 PolarHBondContact N-O 3Å; V491-T511 PolarHBondContact O-N 3.48Å; F493-T511 HydrophobicContact CE2-CG2 4.42Å; T511-R513 PolarHBondContact OG1-NH1 3.03Å
512C95.6Very high91.2Very high13 Ų1336.2 Ų36.29%0.08819%0.194CC..EExtended strand (participates in β ladder)trans-145.5155176.373.70000112Y76 R488 G489 Y490Y76-C512 HydrophobicContact CE1-CB 4.39Å; Y76-C512 WeakPolarHBondContact CE1-SG 3.36Å; R488-C512 HydrophobicContact CB-CB 4.44Å; G489-C512 CarbonylContact O-C 3.57Å; G489-C512 WeakPolarHBondContact O-CA 3.34Å; G489-C512 VanDerWaalsContact O-CB 3.29Å; G489-C512 WeakPolarHBondContact O-CB 3.46Å; Y490-C512 HydrophobicContact CD1-CB 3.49Å; Y490-C512 VanDerWaalsContact CD1-CB 3.49Å; Y490-C512 HydrophobicContact CE1-CB 3.63Å; Y490-C512 HydrophobicContact CG-CB 4.3Å
513R95.7Very high91.4Very high8 Ų839.2 Ų39.23%0.0322%0.218CC..EExtended strand (participates in β ladder)trans-135155.9169.6-61.9-61.8-177.5-98.87.2110Q10 N21 W23 R488 G489 T511Q10-R513 VanDerWaalsContact OE1-NH1 3.17Å; N21-R513 VanDerWaalsContact O-CD 3.3Å; N21-R513 WeakPolarHBondContact O-CD 3.16Å; N21-R513 PolarHBondContact OD1-NE 3.5Å; N21-R513 PolarHBondContact OD1-NH2 2.78Å; N21-R513 VanDerWaalsContact OD1-NH2 3.15Å; W23-R513 HydrophobicContact CD2-CB 3.66Å; W23-R513 HydrophobicContact CD2-CG 4.28Å; W23-R513 VanDerWaalsContact CE2-CG 3.49Å; W23-R513 HydrophobicContact CE3-CB 3.96Å; W23-R513 HydrophobicContact CG-CB 4.26Å; W23-R513 HydrophobicContact CH2-CB 3.83Å; W23-R513 HydrophobicContact CH2-CG 3.89Å; W23-R513 HydrophobicContact CZ2-CB 3.51Å; W23-R513 HydrophobicContact CZ2-CG 3.27Å; W23-R513 HydrophobicContact CZ3-CB 4.04Å; R488-R513 CarbonylContact C-O 3.58Å; R488-R513 VanDerWaalsContact CA-O 3.28Å; R488-R513 WeakPolarHBondContact CA-O 3.32Å; G489-R513 PolarHBondContact N-O 3.34Å; G489-R513 PolarHBondContact O-N 2.8Å; T511-R513 PolarHBondContact OG1-NH1 3.03Å
514N94.4Very high91.5Very high76 Ų7640 Ų4041%0.40622%0.221SC..EExtended strand (participates in β ladder)trans-77.2140.1-179.8-64.9-32.8000110.6W23 G487 R488W23-N514 PolarHBondContact N-O 3.44Å; G487-N514 CarbonylContact O-C 3.55Å; G487-N514 WeakPolarHBondContact O-CA 3.21Å; R488-N514 VanDerWaalsContact CG-OD1 3.3Å; R488-N514 WeakPolarHBondContact CG-OD1 3.32Å; R488-N514 PolarHBondContact NE-OD1 2.79Å
515W93.1Very high91.5Very high10 Ų1038.4 Ų38.44%0.03822%0.215CC..EExtended strand (participates in β ladder)trans-84.1140.9165-66.9118.9000109.8W23 P24 H25 E425 L426 A475 I483 G487 R488W23-W515 HydrophobicContact CB-CD2 4.3Å; W23-W515 HydrophobicContact CB-CE3 3.41Å; W23-W515 VanDerWaalsContact CB-CE3 3.41Å; W23-W515 HydrophobicContact CB-CH2 4.12Å; W23-W515 HydrophobicContact CB-CZ3 3.32Å; W23-W515 HydrophobicContact CD2-CH2 4.42Å; W23-W515 HydrophobicContact CD2-CZ3 4.46Å; W23-W515 HydrophobicContact CE3-CD2 4.48Å; W23-W515 HydrophobicContact CE3-CE3 4.44Å; W23-W515 AromaticContact CE3-CH2 3.72Å; W23-W515 HydrophobicContact CE3-CH2 3.72Å; W23-W515 AromaticContact CE3-CZ2 3.74Å; W23-W515 HydrophobicContact CE3-CZ2 3.74Å; W23-W515 HydrophobicContact CE3-CZ3 4.1Å; W23-W515 HydrophobicContact CG-CZ3 4.24Å; W23-W515 HydrophobicContact CZ3-CZ2 4.31Å; W23-W515 WeakPolarHBondContact O-CA 3.38Å; P24-W515 VanDerWaalsContact O-CZ3 3.31Å; P24-W515 WeakPolarHBondContact O-CZ3 3.36Å; H25-W515 HydrophobicContact CB-CB 4.3Å; H25-W515 HydrophobicContact CB-CE3 4.34Å; E425-W515 HydrophobicContact CB-CH2 4.06Å; E425-W515 HydrophobicContact CB-CZ2 3.66Å; L426-W515 HydrophobicContact CD2-CH2 3.73Å; L426-W515 HydrophobicContact CD2-CZ2 4.31Å; L426-W515 HydrophobicContact CG-CH2 4Å; L426-W515 HydrophobicContact CG-CZ2 4.08Å; A475-W515 HydrophobicContact CB-CH2 4.23Å; A475-W515 HydrophobicContact CB-CZ3 4.08Å; I483-W515 HydrophobicContact CG2-CB 3.89Å; G487-W515 PolarHBondContact O-N 2.99Å; R488-W515 VanDerWaalsContact C-NE1 3.34Å; R488-W515 PolarHBondContact O-NE1 3.25Å
516V91.2Very high91.5Very high12 Ų1238.3 Ų38.37%0.07322%0.218CC..EExtended strand (participates in β ladder)trans-131.4155.3171.2-63.50000110.6I22 W23 H25 A518 Q521 H524 V525I22-V516 HydrophobicContact CG2-CB 4.15Å; I22-V516 HydrophobicContact CG2-CG1 3.55Å; I22-V516 HydrophobicContact CG2-CG2 3.47Å; I22-V516 VanDerWaalsContact CG2-CG2 3.47Å; W23-V516 PolarHBondContact O-N 3.02Å; H25-V516 PolarHBondContact N-O 3.42Å; V516-A518 PolarHBondContact O-N 3.26Å; V516-Q521 HydrophobicContact CB-CB 4.29Å; V516-H524 HydrophobicContact CG1-CB 4.45Å; V516-V525 HydrophobicContact CG2-CG2 3.44Å; V516-V525 VanDerWaalsContact CG2-CG2 3.44Å
517D86.6Confident91.3Very high60 Ų6039 Ų3932%0.32123%0.226SC..  trans-80.393.7164.4-166.7-12000109.1A519 E520 Q521D517-A519 PolarHBondContact O-N 3.28Å; D517-A519 VanDerWaalsContact O-N 3.08Å; D517-A519 WeakPolarHBondContact OD1-CB 3.4Å; D517-A519 PolarHBondContact OD1-N 3.17Å; D517-E520 PolarHBondContact O-N 2.95Å; D517-Q521 WeakPolarHBondContact O-CB 3.45Å; D517-Q521 PolarHBondContact O-N 2.93Å
518A81.9Confident91.2Very high6 Ų637.1 Ų37.15%0.0522%0.219CC..THydrogen-bonded Turntrans-63.3-14.5-17600000114P24 E29 V516 E520 S522 V525P24-A518 HydrophobicContact CB-CB 3.73Å; E29-A518 HydrophobicContact CB-CB 3.75Å; E29-A518 HydrophobicContact CG-CB 3.99Å; V516-A518 PolarHBondContact O-N 3.26Å; A518-E520 VanDerWaalsContact C-N 3.32Å; A518-S522 WeakPolarHBondContact O-CB 3.23Å; A518-S522 PolarHBondContact O-N 3.04Å; A518-V525 HydrophobicContact CB-CG2 3.92Å
519A81.1Confident91.2Very high72 Ų7237.4 Ų37.460%0.59522%0.22SC*.THydrogen-bonded Turntrans-67.9-34.717300000111.9D517D517-A519 PolarHBondContact O-N 3.28Å; D517-A519 VanDerWaalsContact O-N 3.08Å; D517-A519 WeakPolarHBondContact OD1-CB 3.4Å; D517-A519 PolarHBondContact OD1-N 3.17Å
520E81.7Confident91.2Very high157 Ų15737.6 Ų37.673%0.73422%0.222SC*.THydrogen-bonded Turntrans-101.3-27.8179.7-60.8-175.5169.600112.2D517 A518D517-E520 PolarHBondContact O-N 2.95Å; A518-E520 VanDerWaalsContact C-N 3.32Å
521Q83.6Confident91.2Very high77 Ų7738.8 Ų38.836%0.3623%0.227SC..  trans-122.334.2-167.3-67.4-177.37.600112.7V516 D517 A523 H524 V525V516-Q521 HydrophobicContact CB-CB 4.29Å; D517-Q521 WeakPolarHBondContact O-CB 3.45Å; D517-Q521 PolarHBondContact O-N 2.93Å; Q521-A523 PolarHBondContact O-N 3.05Å; Q521-H524 HydrophobicContact CB-CB 4.43Å; Q521-H524 WeakPolarHBondContact O-CB 3.18Å; Q521-H524 PolarHBondContact O-N 2.57Å; Q521-V525 PolarHBondContact O-N 3.41Å
522S84.7Confident91.2Very high58 Ų5841.8 Ų41.841%0.40624%0.241SC..Hα-helixtrans-53.9-36.3179.761.20000113.1A518 H524 V525 A526A518-S522 WeakPolarHBondContact O-CB 3.23Å; A518-S522 PolarHBondContact O-N 3.04Å; S522-H524 VanDerWaalsContact C-N 3.27Å; S522-H524 PolarHBondContact O-N 2.81Å; S522-V525 WeakPolarHBondContact O-CB 3.41Å; S522-V525 PolarHBondContact O-N 3.46Å; S522-V525 VanDerWaalsContact O-N 3.14Å; S522-A526 PolarHBondContact O-N 2.96Å
523A89.1Confident91.4Very high71 Ų7141.1 Ų41.159%0.58724%0.237SC*.Hα-helixtrans-60.1-34.1176.300000113Q521 A526 A527Q521-A523 PolarHBondContact O-N 3.05Å; A523-A526 PolarHBondContact O-N 2.91Å; A523-A527 WeakPolarHBondContact O-CB 3.5Å; A523-A527 PolarHBondContact O-N 3.01Å
524H91.3Very high91.5Very high104 Ų10440.8 Ų40.848%0.48124%0.235SC..Hα-helixtrans-69.7-38.1176.4-71.8-74000111.7I22 V516 Q521 S522 A527 G528I22-H524 HydrophobicContact CD1-CB 4.28Å; I22-H524 WeakPolarHBondContact CD1-O 3.43Å; V516-H524 HydrophobicContact CG1-CB 4.45Å; Q521-H524 HydrophobicContact CB-CB 4.43Å; Q521-H524 WeakPolarHBondContact O-CB 3.18Å; Q521-H524 PolarHBondContact O-N 2.57Å; S522-H524 VanDerWaalsContact C-N 3.27Å; S522-H524 PolarHBondContact O-N 2.81Å; H524-A527 PolarHBondContact O-N 3.38Å; H524-G528 PolarHBondContact O-N 3.19Å
525V92.3Very high91.7Very high4 Ų437.1 Ų37.12%0.02422%0.216CC..Hα-helixtrans-62.8-47.2174.4-178.10000110.4W20 I22 L33 V516 A518 Q521 S522 A527 G528W20-V525 HydrophobicContact CE3-CG1 3.87Å; W20-V525 HydrophobicContact CZ3-CG1 4.08Å; I22-V525 HydrophobicContact CG2-CG2 4.3Å; L33-V525 HydrophobicContact CD2-CG1 3.61Å; V516-V525 HydrophobicContact CG2-CG2 3.44Å; V516-V525 VanDerWaalsContact CG2-CG2 3.44Å; A518-V525 HydrophobicContact CB-CG2 3.92Å; Q521-V525 PolarHBondContact O-N 3.41Å; S522-V525 WeakPolarHBondContact O-CB 3.41Å; S522-V525 PolarHBondContact O-N 3.46Å; S522-V525 VanDerWaalsContact O-N 3.14Å; V525-A527 VanDerWaalsContact C-N 3.31Å; V525-A527 PolarHBondContact O-N 2.71Å; V525-G528 PolarHBondContact O-N 3.08Å; V525-G528 VanDerWaalsContact O-N 3.13Å
526A93.8Very high92Very high18 Ų1836.7 Ų36.715%0.14922%0.215CC..Hα-helixtrans-59.6-40.817800000112.3S522 A523 G528 F529 F570 F587S522-A526 PolarHBondContact O-N 2.96Å; A523-A526 PolarHBondContact O-N 2.91Å; A526-G528 PolarHBondContact O-N 2.67Å; A526-F529 WeakPolarHBondContact O-CB 3.35Å; A526-F529 PolarHBondContact O-N 3.46Å; A526-F570 HydrophobicContact CB-CD1 3.85Å; A526-F570 HydrophobicContact CB-CE1 4.07Å; A526-F587 HydrophobicContact CB-CE2 4.03Å; A526-F587 HydrophobicContact CB-CZ 4.33Å
527A93.8Very high92.3Very high28 Ų2836.2 Ų36.223%0.23121%0.211CC..Hα-helixtrans-63.7-28.2177.800000113.4W3 A523 H524 V525 F529W3-A527 PolarHBondContact NE1-O 3.02Å; W3-A527 VanDerWaalsContact NE1-O 3.14Å; A523-A527 WeakPolarHBondContact O-CB 3.5Å; A523-A527 PolarHBondContact O-N 3.01Å; H524-A527 PolarHBondContact O-N 3.38Å; V525-A527 VanDerWaalsContact C-N 3.31Å; V525-A527 PolarHBondContact O-N 2.71Å; A527-F529 VanDerWaalsContact C-N 3.34Å
528G94.8Very high92.9Very high1 Ų133.4 Ų33.41%0.0120%0.196CC..THydrogen-bonded Turntrans-86.34179.300000115N21 H524 V525 A526N21-G528 WeakPolarHBondContact CB-O 3.31Å; N21-G528 PolarHBondContact N-O 2.81Å; N21-G528 PolarHBondContact ND2-O 2.69Å; H524-G528 PolarHBondContact O-N 3.19Å; V525-G528 PolarHBondContact O-N 3.08Å; V525-G528 VanDerWaalsContact O-N 3.13Å; A526-G528 PolarHBondContact O-N 2.67Å
529F97.3Very high93.6Very high8 Ų833.1 Ų33.14%0.03519%0.194CC..BIsolated β-bridgetrans-72.2133.8-178.8-174.8-116.5000112T19 W20 V35 A526 A527 Q531 A534 L566 Q586 F587 Y590T19-F529 WeakPolarHBondContact O-CD2 3.22Å; W20-F529 AromaticContact CD2-CD2 3.76Å; W20-F529 HydrophobicContact CD2-CD2 3.76Å; W20-F529 HydrophobicContact CD2-CE2 4.46Å; W20-F529 AromaticContact CE2-CD2 3.68Å; W20-F529 AromaticContact CE2-CE2 3.94Å; W20-F529 HydrophobicContact CE3-CB 3.93Å; W20-F529 AromaticContact CE3-CD2 3.66Å; W20-F529 HydrophobicContact CE3-CD2 3.66Å; W20-F529 HydrophobicContact CE3-CG 4.25Å; W20-F529 HydrophobicContact CH2-CB 4.32Å; W20-F529 AromaticContact CH2-CD2 3.38Å; W20-F529 HydrophobicContact CH2-CD2 3.38Å; W20-F529 AromaticContact CH2-CE2 3.85Å; W20-F529 HydrophobicContact CH2-CE2 3.85Å; W20-F529 HydrophobicContact CH2-CG 4.03Å; W20-F529 AromaticContact CZ2-CD2 3.51Å; W20-F529 HydrophobicContact CZ2-CD2 3.51Å; W20-F529 AromaticContact CZ2-CE2 3.62Å; W20-F529 HydrophobicContact CZ2-CE2 3.62Å; W20-F529 HydrophobicContact CZ3-CB 3.68Å; W20-F529 AromaticContact CZ3-CD2 3.48Å; W20-F529 HydrophobicContact CZ3-CD2 3.48Å; W20-F529 VanDerWaalsContact CZ3-CD2 3.48Å; W20-F529 HydrophobicContact CZ3-CE2 4.39Å; W20-F529 AromaticContact CZ3-CG 3.88Å; W20-F529 HydrophobicContact CZ3-CG 3.88Å; V35-F529 HydrophobicContact CB-CE2 4.28Å; V35-F529 HydrophobicContact CG1-CE2 4.37Å; V35-F529 HydrophobicContact CG2-CE2 4.33Å; V35-F529 HydrophobicContact CG2-CZ 4.39Å; A526-F529 WeakPolarHBondContact O-CB 3.35Å; A526-F529 PolarHBondContact O-N 3.46Å; A527-F529 VanDerWaalsContact C-N 3.34Å; F529-Q531 HydrophobicContact CD1-CB 4.21Å; F529-Q531 HydrophobicContact CE1-CB 3.77Å; F529-A534 HydrophobicContact CE1-CB 4.24Å; F529-A534 HydrophobicContact CE2-CB 3.48Å; F529-A534 VanDerWaalsContact CE2-CB 3.48Å; F529-A534 HydrophobicContact CZ-CB 3.28Å; F529-L566 HydrophobicContact CZ-CD1 4.07Å; F529-Q586 WeakPolarHBondContact CD1-O 3.44Å; F529-F587 HydrophobicContact CB-CE1 4.05Å; F529-F587 HydrophobicContact CB-CE2 4.07Å; F529-F587 HydrophobicContact CB-CZ 3.61Å; F529-F587 AromaticContact CD1-CD1 3.34Å; F529-F587 HydrophobicContact CD1-CD1 3.34Å; F529-F587 HydrophobicContact CD1-CD2 4.3Å; F529-F587 AromaticContact CD1-CE1 3.21Å; F529-F587 HydrophobicContact CD1-CE1 3.21Å; F529-F587 HydrophobicContact CD1-CE2 4.17Å; F529-F587 AromaticContact CD1-CG 3.92Å; F529-F587 HydrophobicContact CD1-CG 3.92Å; F529-F587 AromaticContact CD1-CZ 3.66Å; F529-F587 HydrophobicContact CD1-CZ 3.66Å; F529-F587 HydrophobicContact CD2-CE1 4.08Å; F529-F587 HydrophobicContact CD2-CZ 4.41Å; F529-F587 AromaticContact CE1-CD1 3.38Å; F529-F587 HydrophobicContact CE1-CD1 3.38Å; F529-F587 AromaticContact CE1-CE1 3.51Å; F529-F587 HydrophobicContact CE1-CE1 3.51Å; F529-F587 HydrophobicContact CE1-CG 4.2Å; F529-F587 HydrophobicContact CE1-CZ 4.4Å; F529-F587 HydrophobicContact CE2-CE1 4.31Å; F529-F587 HydrophobicContact CG-CD1 4.14Å; F529-F587 AromaticContact CG-CE1 3.52Å; F529-F587 HydrophobicContact CG-CE1 3.52Å; F529-F587 HydrophobicContact CG-CE2 4.37Å; F529-F587 AromaticContact CG-CZ 3.65Å; F529-F587 HydrophobicContact CG-CZ 3.65Å; F529-F587 HydrophobicContact CZ-CD1 4.19Å; F529-F587 HydrophobicContact CZ-CE1 4.05Å; F529-Y590 HydrophobicContact CE1-CD2 4.26Å; F529-Y590 HydrophobicContact CZ-CD2 4.05Å; F529-Y590 HydrophobicContact CZ-CE2 4.26Å
530D97.8Very high94.4Very high6 Ų629.7 Ų29.73%0.03217%0.166CC..  trans-110.196.9174.1-178.7-17.7000108.9I7 R17 F18 T19 E532 A533 A534I7-D530 HydrophobicContact CD1-CB 3.98Å; I7-D530 WeakPolarHBondContact CG2-OD2 3.44Å; R17-D530 IonicContact CZ-OD1 3.7Å; R17-D530 IonicContact CZ-OD2 2.64Å; R17-D530 VanDerWaalsContact CZ-OD2 3.28Å; R17-D530 IonicContact NE-OD1 3.77Å; R17-D530 IonicContact NE-OD2 3.75Å; R17-D530 PolarHBondContact NE-OD2 3.35Å; R17-D530 VanDerWaalsContact NH2-CG 3.34Å; R17-D530 IonicContact NH2-OD1 2.86Å; R17-D530 PolarHBondContact NH2-OD1 3.41Å; R17-D530 IonicContact NH2-OD2 3.97Å; R17-D530 PolarHBondContact NH2-OD2 3.13Å; F18-D530 VanDerWaalsContact O-CB 3.23Å; F18-D530 WeakPolarHBondContact O-CB 3.31Å; T19-D530 PolarHBondContact O-N 3.31Å; D530-E532 VanDerWaalsContact C-N 3.29Å; D530-E532 PolarHBondContact O-N 2.95Å; D530-E532 PolarHBondContact OD1-N 2.9Å; D530-A533 HydrophobicContact CB-CB 3.95Å; D530-A533 PolarHBondContact O-N 3.34Å; D530-A533 PolarHBondContact OD1-N 3.08Å; D530-A533 WeakPolarHBondContact OD2-CB 3.41Å; D530-A534 VanDerWaalsContact O-CB 3.22Å; D530-A534 WeakPolarHBondContact O-CB 3.37Å; D530-A534 PolarHBondContact O-N 3.17Å
531Q97.7Very high95.2Very high26 Ų2622.4 Ų22.412%0.12113%0.132CC..Hα-helixtrans-62.7-30.7-176.354.1-170.6-24.300114.5F529 A535 D585 Q586 F587 Y590 F593F529-Q531 HydrophobicContact CD1-CB 4.21Å; F529-Q531 HydrophobicContact CE1-CB 3.77Å; Q531-A535 WeakPolarHBondContact O-CB 3.33Å; Q531-A535 PolarHBondContact O-N 2.92Å; Q531-D585 PolarHBondContact NE2-O 2.56Å; Q531-Q586 VanDerWaalsContact CB-O 3.32Å; Q531-Q586 WeakPolarHBondContact CB-O 2.86Å; Q531-Q586 WeakPolarHBondContact CG-O 3.42Å; Q531-Q586 PolarHBondContact OE1-O 3.13Å; Q531-F587 VanDerWaalsContact OE1-C 3.26Å; Q531-Y590 HydrophobicContact CB-CD2 4.46Å; Q531-F593 HydrophobicContact CG-CE2 4.34Å
532E98.3Very high95.8Very high62 Ų6218.8 Ų18.829%0.2912%0.115SC..Hα-helixtrans-71.7-50.7177-69.9178.2166.900110.3R17 D530 A534 A535 V536 F593 V625 V629R17-E532 IonicContact CZ-OE2 3.8Å; R17-E532 IonicContact NH1-OE2 3.8Å; R17-E532 PolarHBondContact NH1-OE2 3.24Å; R17-E532 IonicContact NH2-OE2 2.79Å; R17-E532 PolarHBondContact NH2-OE2 2.91Å; D530-E532 VanDerWaalsContact C-N 3.29Å; D530-E532 PolarHBondContact O-N 2.95Å; D530-E532 PolarHBondContact OD1-N 2.9Å; E532-A534 PolarHBondContact O-N 3.37Å; E532-A535 PolarHBondContact O-N 3.03Å; E532-A535 VanDerWaalsContact O-N 3.17Å; E532-V536 WeakPolarHBondContact O-CG2 3.49Å; E532-V536 PolarHBondContact O-N 3.47Å; E532-F593 HydrophobicContact CG-CE2 4.13Å; E532-F593 HydrophobicContact CG-CZ 4.11Å; E532-V625 HydrophobicContact CB-CG1 3.97Å; E532-V629 HydrophobicContact CB-CG2 3.85Å; E532-V629 HydrophobicContact CG-CG2 4.09Å
533A98.5Very high96.4Very high0 Ų016.2 Ų16.20%010%0.097CC..Hα-helixtrans-59.6-38.7175.200000111.2R17 T19 H40 D530 V536 A537R17-A533 HydrophobicContact CB-CB 4.2Å; T19-A533 HydrophobicContact CG2-CB 4.47Å; H40-A533 PolarHBondContact NE2-O 3.36Å; D530-A533 HydrophobicContact CB-CB 3.95Å; D530-A533 PolarHBondContact O-N 3.34Å; D530-A533 PolarHBondContact OD1-N 3.08Å; D530-A533 WeakPolarHBondContact OD2-CB 3.41Å; A533-V536 PolarHBondContact O-N 3.14Å; A533-A537 WeakPolarHBondContact O-CB 3.45Å; A533-A537 PolarHBondContact O-N 2.67Å
534A98.5Very high96.7Very high0 Ų014.6 Ų14.60%08%0.075CC..Hα-helixtrans-63-46.1175.100000112.2T19 V35 F529 D530 E532 V536 A537 M538 Y590T19-A534 HydrophobicContact CG2-CB 4.41Å; V35-A534 HydrophobicContact CG1-CB 3.82Å; V35-A534 HydrophobicContact CG2-CB 4.46Å; F529-A534 HydrophobicContact CE1-CB 4.24Å; F529-A534 HydrophobicContact CE2-CB 3.48Å; F529-A534 VanDerWaalsContact CE2-CB 3.48Å; F529-A534 HydrophobicContact CZ-CB 3.28Å; D530-A534 VanDerWaalsContact O-CB 3.22Å; D530-A534 WeakPolarHBondContact O-CB 3.37Å; D530-A534 PolarHBondContact O-N 3.17Å; E532-A534 PolarHBondContact O-N 3.37Å; A534-V536 VanDerWaalsContact C-N 3.32Å; A534-V536 PolarHBondContact O-N 3.4Å; A534-A537 PolarHBondContact O-N 2.71Å; A534-M538 WeakPolarHBondContact O-CB 3.18Å; A534-M538 VanDerWaalsContact O-CG 3.22Å; A534-M538 WeakPolarHBondContact O-CG 3.12Å; A534-M538 PolarHBondContact O-N 3.34Å; A534-Y590 HydrophobicContact CB-CD2 4.11Å; A534-Y590 HydrophobicContact CB-CE2 3.75Å
535A98.5Very high96.8Very high0 Ų012.3 Ų12.30%06%0.063CC..Hα-helixtrans-59.2-43.7177.600000111.7Q531 E532 M538 A539 F593 M594Q531-A535 WeakPolarHBondContact O-CB 3.33Å; Q531-A535 PolarHBondContact O-N 2.92Å; E532-A535 PolarHBondContact O-N 3.03Å; E532-A535 VanDerWaalsContact O-N 3.17Å; A535-M538 PolarHBondContact O-N 3.16Å; A535-A539 WeakPolarHBondContact O-CB 3.43Å; A535-A539 PolarHBondContact O-N 3.19Å; A535-F593 HydrophobicContact CB-CB 3.7Å; A535-F593 HydrophobicContact CB-CD2 3.73Å; A535-F593 HydrophobicContact CB-CG 3.89Å; A535-M594 HydrophobicContact CB-CE 3.93Å
536V98.6Very high96.8Very high1 Ų112.8 Ų12.81%0.0067%0.067CC..Hα-helixtrans-67.4-42.2177.8178.50000111.9E532 A533 A534 M538 A539 R540 V625 C628 V629 I632E532-V536 WeakPolarHBondContact O-CG2 3.49Å; E532-V536 PolarHBondContact O-N 3.47Å; A533-V536 PolarHBondContact O-N 3.14Å; A534-V536 VanDerWaalsContact C-N 3.32Å; A534-V536 PolarHBondContact O-N 3.4Å; V536-M538 VanDerWaalsContact C-N 3.31Å; V536-M538 PolarHBondContact O-N 2.93Å; V536-A539 PolarHBondContact O-N 3.15Å; V536-R540 WeakPolarHBondContact O-CG 3.49Å; V536-R540 PolarHBondContact O-N 3.05Å; V536-V625 HydrophobicContact CG2-CG1 4.09Å; V536-C628 HydrophobicContact CB-CB 4.22Å; V536-C628 HydrophobicContact CG1-CB 3.67Å; V536-C628 HydrophobicContact CG2-CB 3.45Å; V536-C628 VanDerWaalsContact CG2-CB 3.45Å; V536-V629 HydrophobicContact CG2-CG2 4.05Å; V536-I632 HydrophobicContact CG2-CD1 4.38Å
537A98.5Very high96.6Very high1 Ų114.6 Ų14.61%0.0088%0.076CC..Hα-helixtrans-61-42.5176.400000111.4T19 A38 T470 A533 A534 R540 L541T19-A537 HydrophobicContact CG2-CB 3.84Å; A38-A537 HydrophobicContact CB-CB 4.09Å; T470-A537 HydrophobicContact CG2-CB 4.31Å; A533-A537 WeakPolarHBondContact O-CB 3.45Å; A533-A537 PolarHBondContact O-N 2.67Å; A534-A537 PolarHBondContact O-N 2.71Å; A537-R540 PolarHBondContact O-N 2.76Å; A537-L541 WeakPolarHBondContact O-CB 3.48Å; A537-L541 WeakPolarHBondContact O-CG 3.31Å; A537-L541 PolarHBondContact O-N 2.68Å
538M98.3Very high96.3Very high1 Ų118.1 Ų18.11%0.0059%0.091CC..Hα-helixtrans-70.6-34.8177.9-67.3-66.3-6800112.4V35 A534 A535 V536 L541 A542 W558 L559 N562 Y590 M594V35-M538 HydrophobicContact CG1-CG 4.38Å; V35-M538 HydrophobicContact CG2-CG 4.26Å; V35-M538 HydrophobicContact CG2-SD 4.39Å; A534-M538 WeakPolarHBondContact O-CB 3.18Å; A534-M538 VanDerWaalsContact O-CG 3.22Å; A534-M538 WeakPolarHBondContact O-CG 3.12Å; A534-M538 PolarHBondContact O-N 3.34Å; A535-M538 PolarHBondContact O-N 3.16Å; V536-M538 VanDerWaalsContact C-N 3.31Å; V536-M538 PolarHBondContact O-N 2.93Å; M538-L541 PolarHBondContact O-N 3.19Å; M538-L541 HydrophobicContact SD-CD1 4.08Å; M538-A542 VanDerWaalsContact O-CB 3.28Å; M538-A542 WeakPolarHBondContact O-CB 3.36Å; M538-A542 PolarHBondContact O-N 3.45Å; M538-W558 HydrophobicContact CE-CH2 3.31Å; M538-W558 HydrophobicContact CE-CZ2 3.85Å; M538-W558 HydrophobicContact CE-CZ3 3.78Å; M538-W558 HydrophobicContact SD-CH2 3.76Å; M538-W558 HydrophobicContact SD-CZ2 4.35Å; M538-L559 HydrophobicContact CB-CD1 4.28Å; M538-L559 HydrophobicContact CE-CD1 4.19Å; M538-N562 HydrophobicContact CE-CB 3.75Å; M538-Y590 WeakPolarHBondContact CG-OH 3.29Å; M538-M594 HydrophobicContact CB-CE 4.38Å; M538-M594 HydrophobicContact CB-SD 4.5Å
539A98.2Very high95.7Very high0 Ų022.3 Ų22.30%011%0.11CC..Hα-helixtrans-62.2-48.4171.600000111.8A535 V536 L541 A542 I543 L597 L620 I632A535-A539 WeakPolarHBondContact O-CB 3.43Å; A535-A539 PolarHBondContact O-N 3.19Å; V536-A539 PolarHBondContact O-N 3.15Å; A539-L541 VanDerWaalsContact C-N 3.35Å; A539-L541 PolarHBondContact O-N 3.38Å; A539-A542 PolarHBondContact O-N 3.26Å; A539-I543 VanDerWaalsContact O-CG1 3.32Å; A539-I543 WeakPolarHBondContact O-CG1 3.25Å; A539-I543 PolarHBondContact O-N 3.05Å; A539-L597 HydrophobicContact CB-CD1 3.65Å; A539-L597 HydrophobicContact CB-CD2 3.8Å; A539-L597 HydrophobicContact CB-CG 4.39Å; A539-L620 HydrophobicContact CB-CD1 4.45Å; A539-L620 HydrophobicContact CB-CD2 4.4Å; A539-I632 HydrophobicContact CB-CD1 3.71Å; A539-I632 HydrophobicContact CB-CG1 4.42Å
540R98.2Very high94.9Very high0 Ų025.5 Ų25.50%013%0.128CC..Hα-helixtrans-62-42.1177.1-72.2178.6173.7-160.6-5.3111.7L432 T468 T470 V536 A537 W544 L620 M621 E623L432-R540 HydrophobicContact CB-CB 4.2Å; L432-R540 HydrophobicContact CD1-CB 3.95Å; L432-R540 PolarHBondContact O-NH1 2.81Å; T468-R540 PolarHBondContact O-NH1 3.14Å; T468-R540 PolarHBondContact O-NH2 2.81Å; T468-R540 VanDerWaalsContact O-NH2 3.15Å; T470-R540 WeakPolarHBondContact OG1-CD 3.23Å; T470-R540 PolarHBondContact OG1-NH1 2.91Å; V536-R540 WeakPolarHBondContact O-CG 3.49Å; V536-R540 PolarHBondContact O-N 3.05Å; A537-R540 PolarHBondContact O-N 2.76Å; R540-W544 VanDerWaalsContact O-CB 3.32Å; R540-W544 WeakPolarHBondContact O-CB 3.45Å; R540-W544 PolarHBondContact O-N 3.21Å; R540-L620 HydrophobicContact CG-CD2 3.63Å; R540-L620 PolarHBondContact NE-O 2.8Å; R540-L620 VanDerWaalsContact NE-O 3.14Å; R540-L620 PolarHBondContact NH2-O 2.96Å; R540-M621 HydrophobicContact CB-CE 4.14Å; R540-M621 HydrophobicContact CB-SD 4.04Å; R540-M621 HydrophobicContact CG-CE 4.41Å; R540-M621 HydrophobicContact CG-SD 3.84Å; R540-M621 PolarHBondContact NH2-O 3.14Å; R540-M621 VanDerWaalsContact O-CE 3.26Å; R540-M621 WeakPolarHBondContact O-CE 3.31Å; R540-E623 PolarHBondContact NH2-O 3.14Å
541L97.1Very high94.2Very high5 Ų529.3 Ų29.33%0.02615%0.148CC..Hα-helixtrans-61.6-47.2173.4-79.1163.6000112P36 L432 I450 L472 A537 M538 A539 I543 W544 R545 W558P36-L541 HydrophobicContact CG-CD1 3.67Å; L432-L541 HydrophobicContact CD1-CB 4.45Å; L432-L541 HydrophobicContact CD1-CD2 3.73Å; L432-L541 HydrophobicContact CD1-CG 3.66Å; I450-L541 HydrophobicContact CG2-CD2 3.73Å; L472-L541 HydrophobicContact CD1-CD2 4.01Å; L472-L541 HydrophobicContact CD2-CD1 4.45Å; A537-L541 WeakPolarHBondContact O-CB 3.48Å; A537-L541 WeakPolarHBondContact O-CG 3.31Å; A537-L541 PolarHBondContact O-N 2.68Å; M538-L541 PolarHBondContact O-N 3.19Å; M538-L541 HydrophobicContact SD-CD1 4.08Å; A539-L541 VanDerWaalsContact C-N 3.35Å; A539-L541 PolarHBondContact O-N 3.38Å; L541-I543 PolarHBondContact O-N 3Å; L541-W544 PolarHBondContact O-N 2.88Å; L541-R545 WeakPolarHBondContact O-CB 3.28Å; L541-R545 VanDerWaalsContact O-CG 3.29Å; L541-R545 WeakPolarHBondContact O-CG 3.32Å; L541-R545 PolarHBondContact O-N 3.24Å; L541-W558 HydrophobicContact CB-CH2 3.58Å; L541-W558 HydrophobicContact CB-CZ2 4.39Å; L541-W558 HydrophobicContact CB-CZ3 4.16Å; L541-W558 HydrophobicContact CD1-CH2 4.15Å; L541-W558 HydrophobicContact CG-CH2 4.44Å
542A96.9Very high93.7Very high0 Ų029.2 Ų29.20%015%0.149CC..Hα-helixtrans-61.3-43.5-18000000111.7M538 A539 R545 A546 W558 L603M538-A542 VanDerWaalsContact O-CB 3.28Å; M538-A542 WeakPolarHBondContact O-CB 3.36Å; M538-A542 PolarHBondContact O-N 3.45Å; A539-A542 PolarHBondContact O-N 3.26Å; A542-R545 PolarHBondContact O-N 3.16Å; A542-A546 VanDerWaalsContact O-CB 3.25Å; A542-A546 WeakPolarHBondContact O-CB 3.37Å; A542-A546 PolarHBondContact O-N 3.13Å; A542-W558 HydrophobicContact CB-CZ3 4.09Å; A542-L603 HydrophobicContact CB-CD1 4.18Å; A542-L603 HydrophobicContact CB-CD2 3.94Å
543I96.2Very high93.3Very high4 Ų429 Ų292%0.02115%0.153CC..Hα-helixtrans-63.4-45.2175.4-69.3163.8000111.1A539 L541 A546 T547 F602 R617 L620 M621A539-I543 VanDerWaalsContact O-CG1 3.32Å; A539-I543 WeakPolarHBondContact O-CG1 3.25Å; A539-I543 PolarHBondContact O-N 3.05Å; L541-I543 PolarHBondContact O-N 3Å; I543-A546 PolarHBondContact O-N 2.89Å; I543-T547 VanDerWaalsContact O-CB 3.32Å; I543-T547 WeakPolarHBondContact O-CB 3.35Å; I543-T547 PolarHBondContact O-N 2.72Å; I543-T547 PolarHBondContact O-OG1 2.96Å; I543-F602 HydrophobicContact CD1-CB 3.89Å; I543-F602 HydrophobicContact CD1-CD1 4.39Å; I543-F602 HydrophobicContact CD1-CG 4.26Å; I543-F602 HydrophobicContact CG1-CB 4.05Å; I543-R617 HydrophobicContact CD1-CG 4.46Å; I543-R617 HydrophobicContact CG1-CG 4.47Å; I543-R617 HydrophobicContact CG2-CB 4.08Å; I543-R617 HydrophobicContact CG2-CG 3.75Å; I543-L620 HydrophobicContact CD1-CD1 3.99Å; I543-L620 HydrophobicContact CD1-CD2 3.54Å; I543-L620 HydrophobicContact CD1-CG 4.24Å; I543-M621 HydrophobicContact CB-CE 3.81Å; I543-M621 HydrophobicContact CG2-CE 3.58Å
544W95.5Very high93Very high38 Ų3832 Ų3214%0.14417%0.169CC..Hα-helixtrans-61.8-45.7178.7177.182.1000111.1L432 I450 R540 L541 T547 N548 E549 M621L432-W544 HydrophobicContact CD2-CB 3.9Å; L432-W544 HydrophobicContact CD2-CD2 4.33Å; L432-W544 HydrophobicContact CD2-CG 3.79Å; I450-W544 HydrophobicContact CG2-CE3 4.3Å; I450-W544 HydrophobicContact CG2-CH2 4.42Å; I450-W544 HydrophobicContact CG2-CZ3 4.11Å; R540-W544 VanDerWaalsContact O-CB 3.32Å; R540-W544 WeakPolarHBondContact O-CB 3.45Å; R540-W544 PolarHBondContact O-N 3.21Å; L541-W544 PolarHBondContact O-N 2.88Å; W544-T547 PolarHBondContact O-N 3.45Å; W544-N548 VanDerWaalsContact CD1-ND2 3.28Å; W544-N548 WeakPolarHBondContact O-CB 3.39Å; W544-N548 PolarHBondContact O-N 2.84Å; W544-N548 PolarHBondContact O-ND2 3.48Å; W544-E549 HydrophobicContact CE3-CG 4.47Å; W544-E549 HydrophobicContact CH2-CG 3.78Å; W544-E549 WeakPolarHBondContact CH2-OE1 3.35Å; W544-E549 HydrophobicContact CZ3-CG 3.75Å; W544-E549 WeakPolarHBondContact CZ3-OE1 3.24Å; W544-M621 HydrophobicContact CB-CE 4.41Å
545R94.2Very high92.7Very high56 Ų5632 Ų3221%0.21117%0.169CC..Hα-helixtrans-60.3-48.6175.3-71.6-173.6177.2-91.92.8112L541 A542 T547 N548 E549 N550 A555 W558L541-R545 WeakPolarHBondContact O-CB 3.28Å; L541-R545 VanDerWaalsContact O-CG 3.29Å; L541-R545 WeakPolarHBondContact O-CG 3.32Å; L541-R545 PolarHBondContact O-N 3.24Å; A542-R545 PolarHBondContact O-N 3.16Å; R545-T547 PolarHBondContact O-N 3.39Å; R545-N548 PolarHBondContact O-N 3.46Å; R545-E549 WeakPolarHBondContact CG-OE2 3.3Å; R545-E549 IonicContact CZ-OE2 3.88Å; R545-E549 IonicContact NE-OE2 3.52Å; R545-E549 IonicContact NH1-OE1 3.58Å; R545-E549 IonicContact NH1-OE2 3.25Å; R545-E549 PolarHBondContact NH1-OE2 2.98Å; R545-E549 PolarHBondContact O-N 2.94Å; R545-N550 PolarHBondContact O-N 3.17Å; R545-N550 VanDerWaalsContact O-O 3.11Å; R545-A555 HydrophobicContact CB-CB 4.42Å; R545-W558 VanDerWaalsContact NE-CE2 3.33Å
546A92.2Very high92.5Very high14 Ų1433 Ų3312%0.11617%0.174CC..Hα-helixtrans-65.1-17.4179.100000113.9A542 I543 N550 A555 L603A542-A546 VanDerWaalsContact O-CB 3.25Å; A542-A546 WeakPolarHBondContact O-CB 3.37Å; A542-A546 PolarHBondContact O-N 3.13Å; I543-A546 PolarHBondContact O-N 2.89Å; A546-N550 CarbonylContact C-O 3.43Å; A546-N550 VanDerWaalsContact C-O 3.31Å; A546-N550 WeakPolarHBondContact CA-O 3.46Å; A546-A555 HydrophobicContact CB-CB 3.8Å; A546-L603 HydrophobicContact CB-CD2 4.38Å
547T90Very high92.3Very high55 Ų5539.3 Ų39.334%0.33720%0.198SC..Hα-helixtrans-102.4-29.4-179.1-54.20000112.6I543 W544 R545 R617I543-T547 VanDerWaalsContact O-CB 3.32Å; I543-T547 WeakPolarHBondContact O-CB 3.35Å; I543-T547 PolarHBondContact O-N 2.72Å; I543-T547 PolarHBondContact O-OG1 2.96Å; W544-T547 PolarHBondContact O-N 3.45Å; R545-T547 PolarHBondContact O-N 3.39Å; T547-R617 PolarHBondContact OG1-NH1 3.25Å; T547-R617 VanDerWaalsContact OG1-NH1 3.14Å
548N88.1Confident92.2Very high103 Ų10341.5 Ų41.555%0.55121%0.206SC*.Hα-helixtrans-122.3-32.2-168.8-60.1-87.6000114.8W544 R545W544-N548 VanDerWaalsContact CD1-ND2 3.28Å; W544-N548 WeakPolarHBondContact O-CB 3.39Å; W544-N548 PolarHBondContact O-N 2.84Å; W544-N548 PolarHBondContact O-ND2 3.48Å; R545-N548 PolarHBondContact O-N 3.46Å
549E82.2Confident92.1Very high89 Ų8941.5 Ų41.542%0.41621%0.206SC..THydrogen-bonded Turntrans-104.1-51.4-174.5-68-172158.200112.4W544 R545W544-E549 HydrophobicContact CE3-CG 4.47Å; W544-E549 HydrophobicContact CH2-CG 3.78Å; W544-E549 WeakPolarHBondContact CH2-OE1 3.35Å; W544-E549 HydrophobicContact CZ3-CG 3.75Å; W544-E549 WeakPolarHBondContact CZ3-OE1 3.24Å; R545-E549 WeakPolarHBondContact CG-OE2 3.3Å; R545-E549 IonicContact CZ-OE2 3.88Å; R545-E549 IonicContact NE-OE2 3.52Å; R545-E549 IonicContact NH1-OE1 3.58Å; R545-E549 IonicContact NH1-OE2 3.25Å; R545-E549 PolarHBondContact NH1-OE2 2.98Å; R545-E549 PolarHBondContact O-N 2.94Å
550N79.4Confident91.9Very high74 Ų7443.8 Ų43.840%0.39622%0.219SC..SBendtrans-138.8178.3-170.8-49.7-65.4000110R545 A546 D554R545-N550 PolarHBondContact O-N 3.17Å; R545-N550 VanDerWaalsContact O-O 3.11Å; A546-N550 CarbonylContact C-O 3.43Å; A546-N550 VanDerWaalsContact C-O 3.31Å; A546-N550 WeakPolarHBondContact CA-O 3.46Å; N550-D554 HydrophobicContact CB-CB 3.59Å
551D83.5Confident91.8Very high86 Ų8651.7 Ų51.746%0.4625%0.249SC..  trans-77.8171.1171.571.68000112.3P553 D554 A555D551-P553 VanDerWaalsContact CG-CD 3.44Å; D551-P553 VanDerWaalsContact OD1-CD 3.31Å; D551-P553 WeakPolarHBondContact OD1-CD 3.45Å; D551-D554 PolarHBondContact O-N 3.15Å; D551-D554 WeakPolarHBondContact OD1-CB 3.23Å; D551-D554 PolarHBondContact OD1-N 2.93Å; D551-A555 PolarHBondContact O-N 3.26Å; D551-A555 VanDerWaalsContact O-N 3.16Å
552T86.8Confident91.8Very high24 Ų2452.5 Ų52.515%0.14725%0.253CS..Hα-helixtrans-54.7-48.8175.5-73.20000112.8D554 A555 L556 L603T552-D554 VanDerWaalsContact C-N 3.29Å; T552-D554 PolarHBondContact O-N 2.83Å; T552-A555 WeakPolarHBondContact O-CB 3.48Å; T552-A555 PolarHBondContact O-N 3.41Å; T552-A555 VanDerWaalsContact O-N 3.14Å; T552-L556 HydrophobicContact CG2-CD1 3.82Å; T552-L556 HydrophobicContact CG2-CG 4.28Å; T552-L556 WeakPolarHBondContact O-CG 3.41Å; T552-L556 PolarHBondContact O-N 3.3Å; T552-L603 HydrophobicContact CG2-CB 4.47Å; T552-L603 WeakPolarHBondContact CG2-O 3.4Å; T552-L603 PolarHBondContact OG1-O 3.26Å
553P90.7Very high91.8Very high58 Ų5852.6 Ų52.638%0.37725%0.253SS..Hα-helixtrans-50.4-43.9176.3-30.732.8000114.7D551 L556 R557D551-P553 VanDerWaalsContact CG-CD 3.44Å; D551-P553 VanDerWaalsContact OD1-CD 3.31Å; D551-P553 WeakPolarHBondContact OD1-CD 3.45Å; P553-L556 PolarHBondContact O-N 2.79Å; P553-R557 WeakPolarHBondContact O-CG 3.37Å; P553-R557 PolarHBondContact O-N 2.81Å
554D91.6Very high91.8Very high62 Ų6254.1 Ų54.133%0.33226%0.261SS..Hα-helixtrans-69.1-39177.8-79.2-26.2000112.7N550 D551 T552 L556 R557 W558N550-D554 HydrophobicContact CB-CB 3.59Å; D551-D554 PolarHBondContact O-N 3.15Å; D551-D554 WeakPolarHBondContact OD1-CB 3.23Å; D551-D554 PolarHBondContact OD1-N 2.93Å; T552-D554 VanDerWaalsContact C-N 3.29Å; T552-D554 PolarHBondContact O-N 2.83Å; D554-L556 VanDerWaalsContact C-N 3.3Å; D554-L556 PolarHBondContact O-N 3.46Å; D554-R557 PolarHBondContact O-N 2.94Å; D554-R557 IonicContact OD1-CZ 3.88Å; D554-R557 IonicContact OD1-NH1 2.69Å; D554-R557 PolarHBondContact OD1-NH1 3.43Å; D554-W558 WeakPolarHBondContact O-CB 3.43Å; D554-W558 PolarHBondContact O-N 2.93Å
555A93Very high91.7Very high0 Ų057.7 Ų57.70%028%0.278CS..Hα-helixtrans-61.3-38.4173.800000112.2R545 A546 D551 T552 W558 L559R545-A555 HydrophobicContact CB-CB 4.42Å; A546-A555 HydrophobicContact CB-CB 3.8Å; D551-A555 PolarHBondContact O-N 3.26Å; D551-A555 VanDerWaalsContact O-N 3.16Å; T552-A555 WeakPolarHBondContact O-CB 3.48Å; T552-A555 PolarHBondContact O-N 3.41Å; T552-A555 VanDerWaalsContact O-N 3.14Å; A555-W558 PolarHBondContact O-N 2.95Å; A555-L559 WeakPolarHBondContact O-CB 3.23Å; A555-L559 PolarHBondContact O-N 2.94Å
556L93.9Very high91.8Very high21 Ų2155 Ų5511%0.1127%0.267CS..Hα-helixtrans-66-45.9175.3-69.7166.3000111.9T552 P553 D554 W558 L559 D560 R598 L603 Q604T552-L556 HydrophobicContact CG2-CD1 3.82Å; T552-L556 HydrophobicContact CG2-CG 4.28Å; T552-L556 WeakPolarHBondContact O-CG 3.41Å; T552-L556 PolarHBondContact O-N 3.3Å; P553-L556 PolarHBondContact O-N 2.79Å; D554-L556 VanDerWaalsContact C-N 3.3Å; D554-L556 PolarHBondContact O-N 3.46Å; L556-W558 VanDerWaalsContact C-N 3.28Å; L556-W558 PolarHBondContact O-N 3.48Å; L556-L559 WeakPolarHBondContact O-CB 3.36Å; L556-L559 PolarHBondContact O-N 3.29Å; L556-L559 VanDerWaalsContact O-N 3.12Å; L556-D560 PolarHBondContact O-N 2.85Å; L556-R598 HydrophobicContact CD2-CB 3.73Å; L556-R598 WeakPolarHBondContact CD2-O 3.18Å; L556-L603 HydrophobicContact CD2-CB 4.11Å; L556-L603 HydrophobicContact CD2-CD1 3.74Å; L556-Q604 VanDerWaalsContact CD1-NE2 3.26Å
557R94.3Very high92Very high134 Ų13454.3 Ų54.351%0.50626%0.262SS..Hα-helixtrans-60.9-39175.4-68.8172.8-166.2140.52111.7P553 D554 R561P553-R557 WeakPolarHBondContact O-CG 3.37Å; P553-R557 PolarHBondContact O-N 2.81Å; D554-R557 PolarHBondContact O-N 2.94Å; D554-R557 IonicContact OD1-CZ 3.88Å; D554-R557 IonicContact OD1-NH1 2.69Å; D554-R557 PolarHBondContact OD1-NH1 3.43Å; R557-R561 WeakPolarHBondContact O-CB 3.34Å; R557-R561 VanDerWaalsContact O-CG 3.23Å; R557-R561 WeakPolarHBondContact O-CG 3.37Å; R557-R561 PolarHBondContact O-N 3.46Å
558W95.7Very high92.1Very high47 Ų4753.8 Ų53.818%0.17826%0.255CS..Hα-helixtrans-62-44.6174.2170.887.3000111M538 L541 A542 R545 D554 A555 L556 R561 N562M538-W558 HydrophobicContact CE-CH2 3.31Å; M538-W558 HydrophobicContact CE-CZ2 3.85Å; M538-W558 HydrophobicContact CE-CZ3 3.78Å; M538-W558 HydrophobicContact SD-CH2 3.76Å; M538-W558 HydrophobicContact SD-CZ2 4.35Å; L541-W558 HydrophobicContact CB-CH2 3.58Å; L541-W558 HydrophobicContact CB-CZ2 4.39Å; L541-W558 HydrophobicContact CB-CZ3 4.16Å; L541-W558 HydrophobicContact CD1-CH2 4.15Å; L541-W558 HydrophobicContact CG-CH2 4.44Å; A542-W558 HydrophobicContact CB-CZ3 4.09Å; R545-W558 VanDerWaalsContact NE-CE2 3.33Å; D554-W558 WeakPolarHBondContact O-CB 3.43Å; D554-W558 PolarHBondContact O-N 2.93Å; A555-W558 PolarHBondContact O-N 2.95Å; L556-W558 VanDerWaalsContact C-N 3.28Å; L556-W558 PolarHBondContact O-N 3.48Å; W558-R561 PolarHBondContact O-N 3.05Å; W558-N562 PolarHBondContact NE1-ND2 3.02Å; W558-N562 VanDerWaalsContact NE1-ND2 3.13Å; W558-N562 PolarHBondContact O-N 2.82Å; W558-N562 VanDerWaalsContact O-N 3.08Å; W558-N562 PolarHBondContact O-ND2 2.86Å
559L96.3Very high92.3Very high1 Ų153.9 Ų53.91%0.00525%0.248CC..Hα-helixtrans-61.3-49.4178-166.567.6000111.6M538 A555 L556 R561 N562 L563 M594 L597 R598 L603M538-L559 HydrophobicContact CB-CD1 4.28Å; M538-L559 HydrophobicContact CE-CD1 4.19Å; A555-L559 WeakPolarHBondContact O-CB 3.23Å; A555-L559 PolarHBondContact O-N 2.94Å; L556-L559 WeakPolarHBondContact O-CB 3.36Å; L556-L559 PolarHBondContact O-N 3.29Å; L556-L559 VanDerWaalsContact O-N 3.12Å; L559-R561 PolarHBondContact O-N 2.83Å; L559-N562 PolarHBondContact O-N 2.72Å; L559-L563 PolarHBondContact O-N 3.39Å; L559-M594 HydrophobicContact CD1-SD 3.53Å; L559-M594 VanDerWaalsContact CD1-SD 3.53Å; L559-M594 HydrophobicContact CD2-SD 4.24Å; L559-M594 HydrophobicContact CG-SD 3.92Å; L559-L597 HydrophobicContact CD1-CD2 4.1Å; L559-L597 HydrophobicContact CD2-CD2 3.72Å; L559-L597 HydrophobicContact CD2-CG 3.98Å; L559-R598 HydrophobicContact CD2-CB 4.4Å; L559-L603 HydrophobicContact CD2-CD1 4.22Å
560D95.2Very high92.9Very high49 Ų4951.2 Ų51.226%0.26224%0.235SC..Hα-helixtrans-60.2-43.5179.3-69.2-22.6000111.5L556 N562 L563 I564 R598L556-D560 PolarHBondContact O-N 2.85Å; D560-N562 PolarHBondContact O-N 3.05Å; D560-L563 PolarHBondContact O-N 3.41Å; D560-I564 WeakPolarHBondContact O-CG1 3.32Å; D560-I564 PolarHBondContact O-N 3.05Å; D560-R598 IonicContact OD1-NE 3.62Å
561R95.6Very high93.5Very high166 Ų16648.3 Ų48.363%0.62622%0.223SC*.Hα-helixtrans-61.8-41.2176.6-76172.3-178.7170.81.9112.6R557 W558 L559 K565R557-R561 WeakPolarHBondContact O-CB 3.34Å; R557-R561 VanDerWaalsContact O-CG 3.23Å; R557-R561 WeakPolarHBondContact O-CG 3.37Å; R557-R561 PolarHBondContact O-N 3.46Å; W558-R561 PolarHBondContact O-N 3.05Å; L559-R561 PolarHBondContact O-N 2.83Å; R561-K565 WeakPolarHBondContact O-CG 3.42Å; R561-K565 PolarHBondContact O-N 3.3Å; R561-K565 VanDerWaalsContact O-N 3.07Å
562N95.9Very high94.1Very high22 Ų2251 Ų5112%0.11823%0.233CC..Hα-helixtrans-70.5-36.9178-76.5-73.5000111.5V34 M538 W558 L559 D560 K565 L566V34-N562 HydrophobicContact CG1-CB 3.89Å; V34-N562 VanDerWaalsContact CG1-O 3.26Å; V34-N562 WeakPolarHBondContact CG1-O 3.45Å; V34-N562 WeakPolarHBondContact CG1-OD1 3.48Å; M538-N562 HydrophobicContact CE-CB 3.75Å; W558-N562 PolarHBondContact NE1-ND2 3.02Å; W558-N562 VanDerWaalsContact NE1-ND2 3.13Å; W558-N562 PolarHBondContact O-N 2.82Å; W558-N562 VanDerWaalsContact O-N 3.08Å; W558-N562 PolarHBondContact O-ND2 2.86Å; L559-N562 PolarHBondContact O-N 2.72Å; D560-N562 PolarHBondContact O-N 3.05Å; N562-K565 PolarHBondContact O-N 2.87Å; N562-L566 WeakPolarHBondContact O-CB 3.28Å; N562-L566 PolarHBondContact O-N 3.32Å
563L96.9Very high94.5Very high2 Ų253.2 Ų53.21%0.0124%0.241CC..Hα-helixtrans-60.1-47.5173.3176.860.3000111.6L559 D560 K565 L566 C567 Y590 P591 M594 F763 L767L559-L563 PolarHBondContact O-N 3.39Å; D560-L563 PolarHBondContact O-N 3.41Å; L563-K565 PolarHBondContact O-N 3.47Å; L563-L566 PolarHBondContact O-N 3.01Å; L563-C567 PolarHBondContact O-N 3.33Å; L563-C567 PolarHBondContact O-SG 3.21Å; L563-C567 VanDerWaalsContact O-SG 3.37Å; L563-Y590 HydrophobicContact CD1-CD1 3.74Å; L563-Y590 HydrophobicContact CD1-CE1 3.79Å; L563-P591 HydrophobicContact CD1-CB 4.27Å; L563-P591 HydrophobicContact CD1-CG 4.21Å; L563-M594 HydrophobicContact CB-CG 4.46Å; L563-M594 HydrophobicContact CD1-CB 4.43Å; L563-M594 HydrophobicContact CD1-CG 4.03Å; L563-M594 HydrophobicContact CD2-CB 3.81Å; L563-M594 HydrophobicContact CD2-CG 4.22Å; L563-M594 HydrophobicContact CG-CG 4.46Å; L563-F763 HydrophobicContact CD2-CE1 4.03Å; L563-F763 HydrophobicContact CD2-CZ 3.5Å; L563-L767 HydrophobicContact CD1-CD2 4.25Å; L563-L767 HydrophobicContact CD2-CD1 4.04Å; L563-L767 HydrophobicContact CD2-CD2 3.87Å; L563-L767 HydrophobicContact CG-CD1 3.81Å; L563-L767 HydrophobicContact CG-CD2 4.04Å
564I95.9Very high94.7Very high35 Ų3552.9 Ų52.918%0.17924%0.242CC..Hα-helixtrans-59.6-47.5177.5-66162000110.9D560 L566 C567 Q568 L767 L770D560-I564 WeakPolarHBondContact O-CG1 3.32Å; D560-I564 PolarHBondContact O-N 3.05Å; I564-L566 VanDerWaalsContact C-N 3.33Å; I564-L566 PolarHBondContact O-N 3.1Å; I564-C567 PolarHBondContact O-N 2.76Å; I564-Q568 HydrophobicContact CG2-CG 4.34Å; I564-Q568 WeakPolarHBondContact O-CB 3.37Å; I564-Q568 WeakPolarHBondContact O-CG 3.23Å; I564-Q568 PolarHBondContact O-N 3.3Å; I564-L767 HydrophobicContact CG1-CD1 3.93Å; I564-L770 HydrophobicContact CD1-CB 4.14Å; I564-L770 HydrophobicContact CD1-CD1 3.74Å; I564-L770 HydrophobicContact CG1-CB 4.28Å; I564-L770 HydrophobicContact CG2-CB 4.43Å
565K95.2Very high94.7Very high113 Ų11356.5 Ų56.549%0.49126%0.255SS..Hα-helixtrans-61.2-39.4178.8-74.3178.8179.5-1740112.9V34 R561 N562 L563 Q568 R569V34-K565 HydrophobicContact CG1-CB 3.88Å; V34-K565 HydrophobicContact CG2-CB 3.8Å; R561-K565 WeakPolarHBondContact O-CG 3.42Å; R561-K565 PolarHBondContact O-N 3.3Å; R561-K565 VanDerWaalsContact O-N 3.07Å; N562-K565 PolarHBondContact O-N 2.87Å; L563-K565 PolarHBondContact O-N 3.47Å; K565-Q568 PolarHBondContact O-N 3.14Å; K565-R569 WeakPolarHBondContact O-CB 3.16Å; K565-R569 PolarHBondContact O-N 3.37Å; K565-R569 VanDerWaalsContact O-N 3.08Å
566L95.5Very high94.7Very high0 Ų061.3 Ų61.30%028%0.281CS..Hα-helixtrans-65-45.9176.3175.7146000110.7V34 V35 F529 N562 L563 I564 Q568 R569 F570 F587 Y590V34-L566 HydrophobicContact CB-CB 4.42Å; V34-L566 HydrophobicContact CG1-CB 4.29Å; V35-L566 HydrophobicContact CG2-CD1 3.62Å; F529-L566 HydrophobicContact CZ-CD1 4.07Å; N562-L566 WeakPolarHBondContact O-CB 3.28Å; N562-L566 PolarHBondContact O-N 3.32Å; L563-L566 PolarHBondContact O-N 3.01Å; I564-L566 VanDerWaalsContact C-N 3.33Å; I564-L566 PolarHBondContact O-N 3.1Å; L566-Q568 VanDerWaalsContact C-N 3.34Å; L566-Q568 PolarHBondContact O-N 2.94Å; L566-R569 PolarHBondContact O-N 3.31Å; L566-R569 VanDerWaalsContact O-N 3.16Å; L566-F570 HydrophobicContact CG-CD2 4.25Å; L566-F570 PolarHBondContact O-N 3.43Å; L566-F587 HydrophobicContact CD1-CD1 4.4Å; L566-F587 HydrophobicContact CD1-CE1 4.38Å; L566-F587 HydrophobicContact CD2-CD1 3.97Å; L566-F587 HydrophobicContact CG-CD1 4.36Å; L566-F587 HydrophobicContact CG-CE1 4.47Å; L566-Y590 HydrophobicContact CD1-CD1 4.12Å; L566-Y590 HydrophobicContact CD1-CE1 3.82Å; L566-Y590 HydrophobicContact CD2-CD1 3.84Å; L566-Y590 HydrophobicContact CD2-CE1 4.15Å; L566-Y590 HydrophobicContact CG-CE1 4.48Å
567C95.4Very high94.7Very high0 Ų064 Ų640%030%0.295CS..Hα-helixtrans-61.9-39.2175.9-71.90000112.6L563 I564 R569 G571 F581 S771L563-C567 PolarHBondContact O-N 3.33Å; L563-C567 PolarHBondContact O-SG 3.21Å; L563-C567 VanDerWaalsContact O-SG 3.37Å; I564-C567 PolarHBondContact O-N 2.76Å; C567-R569 VanDerWaalsContact C-N 3.29Å; C567-R569 PolarHBondContact O-N 2.99Å; C567-G571 WeakPolarHBondContact O-CA 3.23Å; C567-G571 PolarHBondContact O-N 3.48Å; C567-F581 HydrophobicContact CB-CE2 3.9Å; C567-F581 HydrophobicContact CB-CZ 3.67Å; C567-S771 VanDerWaalsContact CB-OG 3.22Å; C567-S771 WeakPolarHBondContact CB-OG 3.33Å
568Q94.1Very high94.7Very high43 Ų4359.7 Ų59.720%0.20129%0.285CS..Hα-helixtrans-64.9-32.5175-77.2169.4-21.900112.8I564 K565 L566 L770 S771I564-Q568 HydrophobicContact CG2-CG 4.34Å; I564-Q568 WeakPolarHBondContact O-CB 3.37Å; I564-Q568 WeakPolarHBondContact O-CG 3.23Å; I564-Q568 PolarHBondContact O-N 3.3Å; K565-Q568 PolarHBondContact O-N 3.14Å; L566-Q568 VanDerWaalsContact C-N 3.34Å; L566-Q568 PolarHBondContact O-N 2.94Å; Q568-L770 PolarHBondContact NE2-O 3.2Å; Q568-S771 VanDerWaalsContact CG-O 3.25Å; Q568-S771 WeakPolarHBondContact CG-O 3.38Å
569R91.8Very high94.6Very high105 Ų10560.8 Ų60.840%0.39631%0.311SS..Hα-helixtrans-86.5-41.9-175.3178.558177.4-172.7-4113.4E29 K565 L566 C567E29-R569 IonicContact OE2-CZ 3.79Å; E29-R569 IonicContact OE2-NH2 3.78Å; E29-R569 PolarHBondContact OE2-NH2 3.16Å; K565-R569 WeakPolarHBondContact O-CB 3.16Å; K565-R569 PolarHBondContact O-N 3.37Å; K565-R569 VanDerWaalsContact O-N 3.08Å; L566-R569 PolarHBondContact O-N 3.31Å; L566-R569 VanDerWaalsContact O-N 3.16Å; C567-R569 VanDerWaalsContact C-N 3.29Å; C567-R569 PolarHBondContact O-N 2.99Å
570F93.4Very high94.6Very high33 Ų3362.2 Ų62.215%0.14532%0.321CS..Hα-helixtrans-113.8-4.9-171.9-62.9-76.5000113.5W20 L33 A526 L566 F587W20-F570 HydrophobicContact CH2-CD2 4.35Å; W20-F570 HydrophobicContact CH2-CE1 4.15Å; W20-F570 AromaticContact CH2-CE2 3.56Å; W20-F570 HydrophobicContact CH2-CE2 3.56Å; W20-F570 AromaticContact CH2-CZ 3.44Å; W20-F570 HydrophobicContact CH2-CZ 3.44Å; W20-F570 VanDerWaalsContact CH2-CZ 3.44Å; W20-F570 HydrophobicContact CZ2-CE2 4.28Å; W20-F570 HydrophobicContact CZ2-CZ 4.35Å; W20-F570 HydrophobicContact CZ3-CE1 4.24Å; W20-F570 HydrophobicContact CZ3-CE2 4.43Å; W20-F570 AromaticContact CZ3-CZ 3.9Å; W20-F570 HydrophobicContact CZ3-CZ 3.9Å; L33-F570 HydrophobicContact CD2-CZ 4.36Å; A526-F570 HydrophobicContact CB-CD1 3.85Å; A526-F570 HydrophobicContact CB-CE1 4.07Å; L566-F570 HydrophobicContact CG-CD2 4.25Å; L566-F570 PolarHBondContact O-N 3.43Å; F570-F587 HydrophobicContact CB-CD1 4.23Å; F570-F587 HydrophobicContact CB-CD2 4.41Å; F570-F587 HydrophobicContact CB-CE1 3.89Å; F570-F587 HydrophobicContact CB-CE2 4.12Å; F570-F587 HydrophobicContact CB-CG 4.47Å; F570-F587 HydrophobicContact CB-CZ 3.84Å; F570-F587 HydrophobicContact CD1-CE1 4.34Å; F570-F587 HydrophobicContact CD1-CE2 4.29Å; F570-F587 AromaticContact CD1-CZ 3.73Å; F570-F587 HydrophobicContact CD1-CZ 3.73Å; F570-F587 AromaticContact CD2-CE1 3.87Å; F570-F587 HydrophobicContact CD2-CE1 3.87Å; F570-F587 HydrophobicContact CD2-CZ 4.1Å; F570-F587 HydrophobicContact CE1-CZ 4.27Å; F570-F587 HydrophobicContact CE2-CE1 4.49Å; F570-F587 AromaticContact CG-CE1 3.78Å; F570-F587 HydrophobicContact CG-CE1 3.78Å; F570-F587 HydrophobicContact CG-CE2 4.29Å; F570-F587 AromaticContact CG-CZ 3.62Å; F570-F587 HydrophobicContact CG-CZ 3.62Å
571G93.6Very high94.6Very high14 Ų1460.4 Ų60.414%0.14431%0.311CS..  trans-83151.517100000112.5C567 R582C567-G571 WeakPolarHBondContact O-CA 3.23Å; C567-G571 PolarHBondContact O-N 3.48Å; G571-R582 WeakPolarHBondContact CA-O 3.46Å
572E94.6Very high94.6Very high143 Ų14361 Ų6167%0.66831%0.313SS*.BIsolated β-bridgetrans-102.1125.7172.5-65.1179.7178.700108.9F581 R582E572-F581 CarbonylContact O-C 3.19Å; E572-F581 WeakPolarHBondContact O-CA 3.49Å; E572-R582 PolarHBondContact N-O 2.93Å; E572-R582 PolarHBondContact O-N 2.93Å
573F95.7Very high94.6Very high70 Ų7061.6 Ų61.631%0.30732%0.316SS..  trans-159.8152.9179.651.2-89.4000112S580 F581 S771 V772F573-S580 WeakPolarHBondContact CA-OG 3.44Å; F573-F581 HydrophobicContact CB-CB 4.37Å; F573-F581 HydrophobicContact CB-CD2 4.18Å; F573-F581 AromaticContact CD1-CD2 3.79Å; F573-F581 HydrophobicContact CD1-CD2 3.79Å; F573-F581 HydrophobicContact CD1-CE2 4.08Å; F573-F581 HydrophobicContact CG-CD2 4.28Å; F573-S771 WeakPolarHBondContact CZ-O 3.3Å; F573-V772 HydrophobicContact CB-CG1 3.6Å; F573-V772 HydrophobicContact CD2-CB 3.94Å; F573-V772 HydrophobicContact CD2-CG1 3.77Å; F573-V772 HydrophobicContact CE2-CB 4.49Å; F573-V772 HydrophobicContact CG-CB 4.41Å; F573-V772 HydrophobicContact CG-CG1 3.72Å
574A94.5Very high94.5Very high50 Ų5063.7 Ų63.741%0.41333%0.33SS..  trans-80.5136.8158.500000109.2D576 D577 S580A574-D576 PolarHBondContact O-N 3.13Å; A574-D577 HydrophobicContact CB-CB 4.11Å; A574-D577 PolarHBondContact O-N 3.19Å; A574-D577 VanDerWaalsContact O-N 3.16Å; A574-S580 PolarHBondContact N-OG 3.06Å; A574-S580 PolarHBondContact O-OG 2.62Å
575K92.9Very high94.4Very high139 Ų13968.2 Ų68.260%0.60436%0.355SS*.THydrogen-bonded Turntrans-56.7134.3179.8-172.8-177.1174.7179.30110.8D577 S774K575-D577 PolarHBondContact O-N 2.88Å; K575-D577 VanDerWaalsContact O-N 3.14Å; K575-S774 WeakPolarHBondContact CE-OG 3.44Å; K575-S774 PolarHBondContact NZ-OG 3.17Å
576D92.3Very high94.4Very high100 Ų10065.9 Ų65.954%0.53535%0.346SS..THydrogen-bonded Turntrans5916.2-179.6-53.7-51.5000114.9A574 V772A574-D576 PolarHBondContact O-N 3.13Å; D576-V772 PolarHBondContact N-O 2.98Å
577D94.3Very high94.4Very high77 Ų7765.9 Ų65.941%0.41235%0.346SS..  trans-118.393.2173.8177.310.2000111.7A574 K575 G579 S580A574-D577 HydrophobicContact CB-CB 4.11Å; A574-D577 PolarHBondContact O-N 3.19Å; A574-D577 VanDerWaalsContact O-N 3.16Å; K575-D577 PolarHBondContact O-N 2.88Å; K575-D577 VanDerWaalsContact O-N 3.14Å; D577-G579 PolarHBondContact O-N 3.26Å; D577-G579 PolarHBondContact OD1-N 3.28Å; D577-S580 PolarHBondContact O-N 2.98Å; D577-S580 VanDerWaalsContact O-N 3.16Å; D577-S580 PolarHBondContact O-OG 2.93Å; D577-S580 WeakPolarHBondContact OD2-CB 3.35Å
578P93Very high94.5Very high45 Ų4568.4 Ų68.429%0.29236%0.363SS..G310 helixtrans-62.2-22.9179.6-22.933.5000114.3S580 F581 K768 K769 V772P578-S580 VanDerWaalsContact C-N 3.28Å; P578-F581 PolarHBondContact O-N 2.85Å; P578-K768 HydrophobicContact CB-CB 4.12Å; P578-K769 HydrophobicContact CB-CG 4.23Å; P578-K769 HydrophobicContact CG-CG 3.84Å; P578-V772 HydrophobicContact CB-CG2 4.45Å; P578-V772 HydrophobicContact CG-CG2 3.91Å
579G94.7Very high94.5Very high69 Ų6969.6 Ų69.671%0.71137%0.371SS*.G310 helixtrans-72.1-24.3179.200000112.9D577 F581D577-G579 PolarHBondContact O-N 3.26Å; D577-G579 PolarHBondContact OD1-N 3.28Å; G579-F581 VanDerWaalsContact C-N 3.34Å
580S95.4Very high94.8Very high31 Ų3164.6 Ų64.622%0.21735%0.352CS..G310 helixtrans-77.9-15.4177.871.90000114.4F573 A574 D577 P578 R582F573-S580 WeakPolarHBondContact CA-OG 3.44Å; A574-S580 PolarHBondContact N-OG 3.06Å; A574-S580 PolarHBondContact O-OG 2.62Å; D577-S580 PolarHBondContact O-N 2.98Å; D577-S580 VanDerWaalsContact O-N 3.16Å; D577-S580 PolarHBondContact O-OG 2.93Å; D577-S580 WeakPolarHBondContact OD2-CB 3.35Å; P578-S580 VanDerWaalsContact C-N 3.28Å; S580-R582 PolarHBondContact O-N 3.38Å
581F96.3Very high95Very high12 Ų1263 Ų635%0.05335%0.345CS..  trans-66.1124.3-170.8-177.9-89.4000113C567 E572 F573 P578 G579 L583 K768 V772C567-F581 HydrophobicContact CB-CE2 3.9Å; C567-F581 HydrophobicContact CB-CZ 3.67Å; E572-F581 CarbonylContact O-C 3.19Å; E572-F581 WeakPolarHBondContact O-CA 3.49Å; F573-F581 HydrophobicContact CB-CB 4.37Å; F573-F581 HydrophobicContact CB-CD2 4.18Å; F573-F581 AromaticContact CD1-CD2 3.79Å; F573-F581 HydrophobicContact CD1-CD2 3.79Å; F573-F581 HydrophobicContact CD1-CE2 4.08Å; F573-F581 HydrophobicContact CG-CD2 4.28Å; P578-F581 PolarHBondContact O-N 2.85Å; G579-F581 VanDerWaalsContact C-N 3.34Å; F581-L583 HydrophobicContact CE1-CD1 3.96Å; F581-L583 HydrophobicContact CE1-CD2 4.41Å; F581-L583 HydrophobicContact CE1-CG 3.76Å; F581-L583 HydrophobicContact CZ-CD1 4.13Å; F581-L583 HydrophobicContact CZ-CD2 3.95Å; F581-L583 HydrophobicContact CZ-CG 3.81Å; F581-K768 HydrophobicContact CB-CB 4.38Å; F581-K768 HydrophobicContact CB-CD 4.4Å; F581-K768 HydrophobicContact CB-CG 3.99Å; F581-K768 HydrophobicContact CD1-CD 4.4Å; F581-K768 HydrophobicContact CD1-CG 3.69Å; F581-K768 HydrophobicContact CE1-CG 4.45Å; F581-K768 HydrophobicContact CG-CG 3.98Å; F581-V772 HydrophobicContact CB-CG1 4.24Å; F581-V772 HydrophobicContact CD2-CG1 4.29Å
582R96.1Very high95.1Very high179 Ų17964.1 Ų64.168%0.67535%0.346SS*.BIsolated β-bridgetrans-134.4151.4176.2-61-172.4-176.8-142.20.1111.4G571 E572 S580G571-R582 WeakPolarHBondContact CA-O 3.46Å; E572-R582 PolarHBondContact N-O 2.93Å; E572-R582 PolarHBondContact O-N 2.93Å; S580-R582 PolarHBondContact O-N 3.38Å
583L95.2Very high95.2Very high34 Ų3457.7 Ų57.718%0.17832%0.316CS..  trans-122145.8170.1-72.5169000108F581 F587 P591F581-L583 HydrophobicContact CE1-CD1 3.96Å; F581-L583 HydrophobicContact CE1-CD2 4.41Å; F581-L583 HydrophobicContact CE1-CG 3.76Å; F581-L583 HydrophobicContact CZ-CD1 4.13Å; F581-L583 HydrophobicContact CZ-CD2 3.95Å; F581-L583 HydrophobicContact CZ-CG 3.81Å; L583-F587 HydrophobicContact CB-CB 4.24Å; L583-F587 HydrophobicContact CD2-CB 4.03Å; L583-P591 HydrophobicContact CD1-CG 3.58Å
584S94.6Very high95.3Very high45 Ų4554.5 Ų54.532%0.31530%0.302SS..  trans-72165.9171.4750000110.8Q586 F587 S588S584-Q586 PolarHBondContact O-N 2.84Å; S584-Q586 PolarHBondContact OG-OE1 3.14Å; S584-F587 PolarHBondContact O-N 3.24Å; S584-S588 PolarHBondContact O-N 2.92Å
585D93.8Very high95.3Very high130 Ų13052.1 Ų52.170%0.69528%0.282SS*.THydrogen-bonded Turntrans-57.5-26.3-178.6-62.9-22.1000113.3Q531 F587 S588Q531-D585 PolarHBondContact NE2-O 2.56Å; D585-F587 PolarHBondContact O-N 3.1Å; D585-S588 PolarHBondContact O-OG 3.17Å
586Q94.3Very high95.5Very high64 Ų6445.9 Ų45.930%0.29926%0.255SS..THydrogen-bonded Turntrans-67.8-23.9177.1-65.474.135.200112.5F529 Q531 S584F529-Q586 WeakPolarHBondContact CD1-O 3.44Å; Q531-Q586 VanDerWaalsContact CB-O 3.32Å; Q531-Q586 WeakPolarHBondContact CB-O 2.86Å; Q531-Q586 WeakPolarHBondContact CG-O 3.42Å; Q531-Q586 PolarHBondContact OE1-O 3.13Å; S584-Q586 PolarHBondContact O-N 2.84Å; S584-Q586 PolarHBondContact OG-OE1 3.14Å
587F96.8Very high95.7Very high1 Ų141.1 Ų41.10%0.00423%0.23CC..THydrogen-bonded Turntrans-118.9-9.2-174.6-65.1-92000113.7W20 A526 F529 Q531 L566 F570 L583 S584 D585 L589 Y590 P591W20-F587 HydrophobicContact CH2-CE1 4.06Å; W20-F587 HydrophobicContact CH2-CZ 4.08Å; W20-F587 HydrophobicContact CZ3-CE1 4.49Å; W20-F587 HydrophobicContact CZ3-CZ 4.1Å; A526-F587 HydrophobicContact CB-CE2 4.03Å; A526-F587 HydrophobicContact CB-CZ 4.33Å; F529-F587 HydrophobicContact CB-CE1 4.05Å; F529-F587 HydrophobicContact CB-CE2 4.07Å; F529-F587 HydrophobicContact CB-CZ 3.61Å; F529-F587 AromaticContact CD1-CD1 3.34Å; F529-F587 HydrophobicContact CD1-CD1 3.34Å; F529-F587 HydrophobicContact CD1-CD2 4.3Å; F529-F587 AromaticContact CD1-CE1 3.21Å; F529-F587 HydrophobicContact CD1-CE1 3.21Å; F529-F587 HydrophobicContact CD1-CE2 4.17Å; F529-F587 AromaticContact CD1-CG 3.92Å; F529-F587 HydrophobicContact CD1-CG 3.92Å; F529-F587 AromaticContact CD1-CZ 3.66Å; F529-F587 HydrophobicContact CD1-CZ 3.66Å; F529-F587 HydrophobicContact CD2-CE1 4.08Å; F529-F587 HydrophobicContact CD2-CZ 4.41Å; F529-F587 AromaticContact CE1-CD1 3.38Å; F529-F587 HydrophobicContact CE1-CD1 3.38Å; F529-F587 AromaticContact CE1-CE1 3.51Å; F529-F587 HydrophobicContact CE1-CE1 3.51Å; F529-F587 HydrophobicContact CE1-CG 4.2Å; F529-F587 HydrophobicContact CE1-CZ 4.4Å; F529-F587 HydrophobicContact CE2-CE1 4.31Å; F529-F587 HydrophobicContact CG-CD1 4.14Å; F529-F587 AromaticContact CG-CE1 3.52Å; F529-F587 HydrophobicContact CG-CE1 3.52Å; F529-F587 HydrophobicContact CG-CE2 4.37Å; F529-F587 AromaticContact CG-CZ 3.65Å; F529-F587 HydrophobicContact CG-CZ 3.65Å; F529-F587 HydrophobicContact CZ-CD1 4.19Å; F529-F587 HydrophobicContact CZ-CE1 4.05Å; Q531-F587 VanDerWaalsContact OE1-C 3.26Å; L566-F587 HydrophobicContact CD1-CD1 4.4Å; L566-F587 HydrophobicContact CD1-CE1 4.38Å; L566-F587 HydrophobicContact CD2-CD1 3.97Å; L566-F587 HydrophobicContact CG-CD1 4.36Å; L566-F587 HydrophobicContact CG-CE1 4.47Å; F570-F587 HydrophobicContact CB-CD1 4.23Å; F570-F587 HydrophobicContact CB-CD2 4.41Å; F570-F587 HydrophobicContact CB-CE1 3.89Å; F570-F587 HydrophobicContact CB-CE2 4.12Å; F570-F587 HydrophobicContact CB-CG 4.47Å; F570-F587 HydrophobicContact CB-CZ 3.84Å; F570-F587 HydrophobicContact CD1-CE1 4.34Å; F570-F587 HydrophobicContact CD1-CE2 4.29Å; F570-F587 AromaticContact CD1-CZ 3.73Å; F570-F587 HydrophobicContact CD1-CZ 3.73Å; F570-F587 AromaticContact CD2-CE1 3.87Å; F570-F587 HydrophobicContact CD2-CE1 3.87Å; F570-F587 HydrophobicContact CD2-CZ 4.1Å; F570-F587 HydrophobicContact CE1-CZ 4.27Å; F570-F587 HydrophobicContact CE2-CE1 4.49Å; F570-F587 AromaticContact CG-CE1 3.78Å; F570-F587 HydrophobicContact CG-CE1 3.78Å; F570-F587 HydrophobicContact CG-CE2 4.29Å; F570-F587 AromaticContact CG-CZ 3.62Å; F570-F587 HydrophobicContact CG-CZ 3.62Å; L583-F587 HydrophobicContact CB-CB 4.24Å; L583-F587 HydrophobicContact CD2-CB 4.03Å; S584-F587 PolarHBondContact O-N 3.24Å; D585-F587 PolarHBondContact O-N 3.1Å; F587-L589 VanDerWaalsContact C-N 3.33Å; F587-L589 PolarHBondContact O-N 3.17Å; F587-Y590 WeakPolarHBondContact O-CB 3.49Å; F587-Y590 PolarHBondContact O-N 2.67Å; F587-Y590 VanDerWaalsContact O-N 3.12Å; F587-P591 VanDerWaalsContact O-CD 3.22Å; F587-P591 WeakPolarHBondContact O-CD 3.13Å
588S96.2Very high95.7Very high52 Ų5240.5 Ų40.536%0.36422%0.222SC..THydrogen-bonded Turntrans-62.7-32.3-167.159.60000114.5S584 D585S584-S588 PolarHBondContact O-N 2.92Å; D585-S588 PolarHBondContact O-OG 3.17Å
589L95.6Very high95.6Very high68 Ų6840.7 Ų40.736%0.35622%0.217SC..THydrogen-bonded Turntrans-87.2-18.6177.8-58.5176.1000112.7F587 Q592 F593F587-L589 VanDerWaalsContact C-N 3.33Å; F587-L589 PolarHBondContact O-N 3.17Å; L589-Q592 WeakPolarHBondContact O-CA 3.08Å; L589-Q592 WeakPolarHBondContact O-CB 3.45Å; L589-Q592 PolarHBondContact O-N 3.07Å; L589-F593 HydrophobicContact CB-CD2 4.28Å; L589-F593 HydrophobicContact CB-CE2 3.74Å; L589-F593 HydrophobicContact CB-CZ 3.99Å; L589-F593 HydrophobicContact CD1-CZ 4.31Å; L589-F593 WeakPolarHBondContact O-CD2 3.47Å; L589-F593 PolarHBondContact O-N 2.64Å
590Y97.7Very high95.6Very high1 Ų137.9 Ų37.90%0.00419%0.186CC..Hα-helixtrans-56.2-45.4-176.1-173.8-92.2000113.6V35 F529 Q531 A534 M538 L563 L566 F587 Q592 F593 M594V35-Y590 HydrophobicContact CG2-CE2 4.3Å; V35-Y590 WeakPolarHBondContact CG2-OH 3.46Å; F529-Y590 HydrophobicContact CE1-CD2 4.26Å; F529-Y590 HydrophobicContact CZ-CD2 4.05Å; F529-Y590 HydrophobicContact CZ-CE2 4.26Å; Q531-Y590 HydrophobicContact CB-CD2 4.46Å; A534-Y590 HydrophobicContact CB-CD2 4.11Å; A534-Y590 HydrophobicContact CB-CE2 3.75Å; M538-Y590 WeakPolarHBondContact CG-OH 3.29Å; L563-Y590 HydrophobicContact CD1-CD1 3.74Å; L563-Y590 HydrophobicContact CD1-CE1 3.79Å; L566-Y590 HydrophobicContact CD1-CD1 4.12Å; L566-Y590 HydrophobicContact CD1-CE1 3.82Å; L566-Y590 HydrophobicContact CD2-CD1 3.84Å; L566-Y590 HydrophobicContact CD2-CE1 4.15Å; L566-Y590 HydrophobicContact CG-CE1 4.48Å; F587-Y590 WeakPolarHBondContact O-CB 3.49Å; F587-Y590 PolarHBondContact O-N 2.67Å; F587-Y590 VanDerWaalsContact O-N 3.12Å; Y590-Q592 VanDerWaalsContact C-N 3.28Å; Y590-Q592 PolarHBondContact O-N 3.25Å; Y590-F593 PolarHBondContact O-N 3.01Å; Y590-M594 HydrophobicContact CD1-CG 4.1Å; Y590-M594 HydrophobicContact CE1-CG 3.7Å; Y590-M594 HydrophobicContact CE1-SD 4.2Å; Y590-M594 HydrophobicContact CE2-CE 4.08Å; Y590-M594 WeakPolarHBondContact O-CG 3.37Å; Y590-M594 PolarHBondContact O-N 3.33Å
591P97.3Very high95.5Very high0 Ų037.6 Ų37.60%018%0.181CC..Hα-helixtrans-59.4-35.9172.5-25.535.1000114L563 L583 F587 M594 F595 M764 L767L563-P591 HydrophobicContact CD1-CB 4.27Å; L563-P591 HydrophobicContact CD1-CG 4.21Å; L583-P591 HydrophobicContact CD1-CG 3.58Å; F587-P591 VanDerWaalsContact O-CD 3.22Å; F587-P591 WeakPolarHBondContact O-CD 3.13Å; P591-M594 PolarHBondContact O-N 3.42Å; P591-F595 WeakPolarHBondContact O-CB 3.31Å; P591-F595 PolarHBondContact O-N 3.28Å; P591-M764 HydrophobicContact CB-CE 4.05Å; P591-M764 HydrophobicContact CB-SD 3.59Å; P591-M764 VanDerWaalsContact CB-SD 3.59Å; P591-M764 HydrophobicContact CG-CE 4.39Å; P591-L767 HydrophobicContact CB-CD2 3.75Å; P591-L767 HydrophobicContact CG-CD2 4.1Å
592Q95.4Very high95.5Very high37 Ų3737 Ų3717%0.17318%0.179CC..Hα-helixtrans-68.3-43.1178-172.2177.9-1.500110.8L589 Y590 M594 F595 H596 L760L589-Q592 WeakPolarHBondContact O-CA 3.08Å; L589-Q592 WeakPolarHBondContact O-CB 3.45Å; L589-Q592 PolarHBondContact O-N 3.07Å; Y590-Q592 VanDerWaalsContact C-N 3.28Å; Y590-Q592 PolarHBondContact O-N 3.25Å; Q592-M594 VanDerWaalsContact C-N 3.32Å; Q592-M594 PolarHBondContact O-N 2.91Å; Q592-F595 WeakPolarHBondContact O-CB 3.37Å; Q592-F595 PolarHBondContact O-N 3.3Å; Q592-H596 PolarHBondContact O-CD2 3.27Å; Q592-H596 PolarHBondContact O-N 2.74Å; Q592-L760 HydrophobicContact CG-CD1 4.45Å; Q592-L760 HydrophobicContact CG-CD2 4.07Å
593F97.1Very high95.4Very high8 Ų828.5 Ų28.54%0.03515%0.147CC..Hα-helixtrans-59.4-43.7172.4-63.8-42.7000111.9Q531 E532 A535 L589 Y590 F595 H596 L597 V629 I632 Q633Q531-F593 HydrophobicContact CG-CE2 4.34Å; E532-F593 HydrophobicContact CG-CE2 4.13Å; E532-F593 HydrophobicContact CG-CZ 4.11Å; A535-F593 HydrophobicContact CB-CB 3.7Å; A535-F593 HydrophobicContact CB-CD2 3.73Å; A535-F593 HydrophobicContact CB-CG 3.89Å; L589-F593 HydrophobicContact CB-CD2 4.28Å; L589-F593 HydrophobicContact CB-CE2 3.74Å; L589-F593 HydrophobicContact CB-CZ 3.99Å; L589-F593 HydrophobicContact CD1-CZ 4.31Å; L589-F593 WeakPolarHBondContact O-CD2 3.47Å; L589-F593 PolarHBondContact O-N 2.64Å; Y590-F593 PolarHBondContact O-N 3.01Å; F593-F595 VanDerWaalsContact C-N 3.31Å; F593-F595 PolarHBondContact O-N 2.93Å; F593-H596 PolarHBondContact O-N 3.46Å; F593-L597 VanDerWaalsContact O-CB 3.24Å; F593-L597 WeakPolarHBondContact O-CB 3.41Å; F593-L597 PolarHBondContact O-N 3.35Å; F593-V629 HydrophobicContact CD1-CG1 4.5Å; F593-V629 HydrophobicContact CE1-CG1 3.72Å; F593-V629 HydrophobicContact CZ-CG1 4.06Å; F593-I632 WeakPolarHBondContact O-CG2 3.22Å; F593-Q633 HydrophobicContact CD1-CB 4.15Å; F593-Q633 VanDerWaalsContact CD1-OE1 3.23Å; F593-Q633 HydrophobicContact CE1-CB 4.43Å
594M97.3Very high95.2Very high2 Ų230.5 Ų30.51%0.0116%0.155CC..Hα-helixtrans-64.3-37.5177-66.2-56.897.200112A535 M538 L559 L563 Y590 P591 Q592 L597 R598A535-M594 HydrophobicContact CB-CE 3.93Å; M538-M594 HydrophobicContact CB-CE 4.38Å; M538-M594 HydrophobicContact CB-SD 4.5Å; L559-M594 HydrophobicContact CD1-SD 3.53Å; L559-M594 VanDerWaalsContact CD1-SD 3.53Å; L559-M594 HydrophobicContact CD2-SD 4.24Å; L559-M594 HydrophobicContact CG-SD 3.92Å; L563-M594 HydrophobicContact CB-CG 4.46Å; L563-M594 HydrophobicContact CD1-CB 4.43Å; L563-M594 HydrophobicContact CD1-CG 4.03Å; L563-M594 HydrophobicContact CD2-CB 3.81Å; L563-M594 HydrophobicContact CD2-CG 4.22Å; L563-M594 HydrophobicContact CG-CG 4.46Å; Y590-M594 HydrophobicContact CD1-CG 4.1Å; Y590-M594 HydrophobicContact CE1-CG 3.7Å; Y590-M594 HydrophobicContact CE1-SD 4.2Å; Y590-M594 HydrophobicContact CE2-CE 4.08Å; Y590-M594 WeakPolarHBondContact O-CG 3.37Å; Y590-M594 PolarHBondContact O-N 3.33Å; P591-M594 PolarHBondContact O-N 3.42Å; Q592-M594 VanDerWaalsContact C-N 3.32Å; Q592-M594 PolarHBondContact O-N 2.91Å; M594-L597 HydrophobicContact CE-CD2 3.91Å; M594-L597 PolarHBondContact O-N 3.04Å; M594-L597 HydrophobicContact SD-CD2 4.23Å; M594-R598 VanDerWaalsContact O-CG 3.26Å; M594-R598 WeakPolarHBondContact O-CG 3.5Å; M594-R598 PolarHBondContact O-N 3.24Å; M594-R598 VanDerWaalsContact O-N 3.07Å
595F95.7Very high94.9Very high0 Ų029.6 Ų29.60%015%0.148CC..Hα-helixtrans-60.3-46.8172.9171.1-99.3000111.8P591 Q592 F593 R598 R599 V758 L760 F763P591-F595 WeakPolarHBondContact O-CB 3.31Å; P591-F595 PolarHBondContact O-N 3.28Å; Q592-F595 WeakPolarHBondContact O-CB 3.37Å; Q592-F595 PolarHBondContact O-N 3.3Å; F593-F595 VanDerWaalsContact C-N 3.31Å; F593-F595 PolarHBondContact O-N 2.93Å; F595-R598 WeakPolarHBondContact O-CG 2.96Å; F595-R599 VanDerWaalsContact CZ-NE 3.32Å; F595-R599 WeakPolarHBondContact O-CD 3.4Å; F595-R599 WeakPolarHBondContact O-CG 3.32Å; F595-V758 WeakPolarHBondContact CE2-O 3.27Å; F595-L760 HydrophobicContact CB-CD1 3.77Å; F595-L760 HydrophobicContact CD1-CB 4.17Å; F595-L760 HydrophobicContact CD1-CD1 3.76Å; F595-L760 HydrophobicContact CD1-CG 4.47Å; F595-L760 HydrophobicContact CD2-CD1 4.17Å; F595-L760 HydrophobicContact CE1-CB 3.9Å; F595-L760 HydrophobicContact CE1-CD1 4.36Å; F595-L760 HydrophobicContact CE2-CB 4.37Å; F595-L760 HydrophobicContact CG-CD1 3.63Å; F595-L760 HydrophobicContact CZ-CB 3.98Å; F595-F763 HydrophobicContact CB-CD1 3.85Å; F595-F763 HydrophobicContact CB-CE1 3.78Å; F595-F763 HydrophobicContact CB-CG 4.4Å; F595-F763 HydrophobicContact CB-CZ 4.28Å; F595-F763 HydrophobicContact CD2-CB 3.73Å; F595-F763 AromaticContact CD2-CD1 3.9Å; F595-F763 HydrophobicContact CD2-CD1 3.9Å; F595-F763 HydrophobicContact CD2-CD2 4.1Å; F595-F763 AromaticContact CD2-CG 3.64Å; F595-F763 HydrophobicContact CD2-CG 3.64Å; F595-F763 HydrophobicContact CE2-CB 4.04Å; F595-F763 HydrophobicContact CE2-CG 4.42Å; F595-F763 HydrophobicContact CG-CD1 4.27Å; F595-F763 HydrophobicContact CG-CG 4.45Å
596H95.6Very high94.5Very high8 Ų831.3 Ų31.34%0.03715%0.149CC..Hα-helixtrans-73.6-36178.8-66.5-76.1000112.4Q592 F593 R598 R599 S600 I632 Q633Q592-H596 PolarHBondContact O-CD2 3.27Å; Q592-H596 PolarHBondContact O-N 2.74Å; F593-H596 PolarHBondContact O-N 3.46Å; H596-R598 PolarHBondContact O-N 3.13Å; H596-R599 PolarHBondContact O-N 3.43Å; H596-S600 WeakPolarHBondContact O-CB 3.45Å; H596-S600 PolarHBondContact O-N 3.09Å; H596-I632 HydrophobicContact CB-CG2 4.44Å; H596-I632 WeakPolarHBondContact CB-O 3.03Å; H596-Q633 HydrophobicContact CB-CB 4.21Å; H596-Q633 PolarHBondContact CD2-OE1 3.33Å
597L96.3Very high94.2Very high0 Ų035.1 Ų35.10%017%0.172CC..Hα-helixtrans-59.1-47.3176.6176.458.5000112.3A539 L559 F593 M594 R599 S600 L603 I632A539-L597 HydrophobicContact CB-CD1 3.65Å; A539-L597 HydrophobicContact CB-CD2 3.8Å; A539-L597 HydrophobicContact CB-CG 4.39Å; L559-L597 HydrophobicContact CD1-CD2 4.1Å; L559-L597 HydrophobicContact CD2-CD2 3.72Å; L559-L597 HydrophobicContact CD2-CG 3.98Å; F593-L597 VanDerWaalsContact O-CB 3.24Å; F593-L597 WeakPolarHBondContact O-CB 3.41Å; F593-L597 PolarHBondContact O-N 3.35Å; M594-L597 HydrophobicContact CE-CD2 3.91Å; M594-L597 PolarHBondContact O-N 3.04Å; M594-L597 HydrophobicContact SD-CD2 4.23Å; L597-R599 VanDerWaalsContact C-N 3.25Å; L597-R599 PolarHBondContact O-N 3.29Å; L597-S600 WeakPolarHBondContact O-CB 3.49Å; L597-S600 PolarHBondContact O-N 3.06Å; L597-S600 VanDerWaalsContact O-N 3.1Å; L597-S600 PolarHBondContact O-OG 3.46Å; L597-L603 HydrophobicContact CD1-CD1 4.25Å; L597-L603 HydrophobicContact CG-CD1 4.08Å; L597-I632 HydrophobicContact CB-CG2 3.92Å; L597-I632 HydrophobicContact CD1-CG1 4.36Å
598R94.5Very high94Very high64 Ų6436.3 Ų36.324%0.24218%0.18CC..Hα-helixtrans-65.1-23.2-176.864.6-175.3-63.8-69.9-2.7114.9L556 L559 D560 M594 F595 H596 Q604L556-R598 HydrophobicContact CD2-CB 3.73Å; L556-R598 WeakPolarHBondContact CD2-O 3.18Å; L559-R598 HydrophobicContact CD2-CB 4.4Å; D560-R598 IonicContact OD1-NE 3.62Å; M594-R598 VanDerWaalsContact O-CG 3.26Å; M594-R598 WeakPolarHBondContact O-CG 3.5Å; M594-R598 PolarHBondContact O-N 3.24Å; M594-R598 VanDerWaalsContact O-N 3.07Å; F595-R598 WeakPolarHBondContact O-CG 2.96Å; H596-R598 PolarHBondContact O-N 3.13Å; R598-Q604 WeakPolarHBondContact O-CG 3.38Å; R598-Q604 PolarHBondContact O-NE2 3.14Å
599R92.7Very high94Very high49 Ų4935 Ų3519%0.18517%0.171CC..Hα-helixtrans-100.5-7.217528.915965.9-160.2-0.2113F595 H596 L597 V735 P737 V758F595-R599 VanDerWaalsContact CZ-NE 3.32Å; F595-R599 WeakPolarHBondContact O-CD 3.4Å; F595-R599 WeakPolarHBondContact O-CG 3.32Å; H596-R599 PolarHBondContact O-N 3.43Å; L597-R599 VanDerWaalsContact C-N 3.25Å; L597-R599 PolarHBondContact O-N 3.29Å; R599-V735 PolarHBondContact NH1-O 2.76Å; R599-P737 VanDerWaalsContact NH2-CD 3.3Å; R599-V758 PolarHBondContact NH2-O 3.41Å
600S93.9Very high94.1Very high10 Ų1031.9 Ų31.97%0.0716%0.155CC..SBendtrans-66.5155.9178.974.10000112.2H596 L597 F602 L603 Q604H596-S600 WeakPolarHBondContact O-CB 3.45Å; H596-S600 PolarHBondContact O-N 3.09Å; L597-S600 WeakPolarHBondContact O-CB 3.49Å; L597-S600 PolarHBondContact O-N 3.06Å; L597-S600 VanDerWaalsContact O-N 3.1Å; L597-S600 PolarHBondContact O-OG 3.46Å; S600-F602 PolarHBondContact O-N 3.12Å; S600-F602 VanDerWaalsContact OG-CD2 3.24Å; S600-F602 WeakPolarHBondContact OG-CD2 3.49Å; S600-F602 PolarHBondContact OG-N 2.96Å; S600-L603 PolarHBondContact O-N 3.4Å; S600-L603 VanDerWaalsContact O-N 3.15Å; S600-Q604 PolarHBondContact O-N 3.42Å
601Q93.3Very high94.1Very high25 Ų2532 Ų3212%0.11716%0.156CC..THydrogen-bonded Turntrans-61.8-10.6174.267.6-162.810.600114.3Q604 Y616 F667Q601-Q604 WeakPolarHBondContact CA-O 3.47Å; Q601-Y616 HydrophobicContact CB-CD2 4.12Å; Q601-Y616 HydrophobicContact CB-CE2 4.35Å; Q601-Y616 HydrophobicContact CG-CD2 3.53Å; Q601-Y616 HydrophobicContact CG-CE2 3.95Å; Q601-Y616 HydrophobicContact CG-CG 4Å; Q601-F667 VanDerWaalsContact NE2-CD2 3.25Å
602F95.3Very high94.1Very high1 Ų135 Ų350%0.00417%0.17CC..THydrogen-bonded Turntrans-71.3-35.6175.3-54.9-61.7000112I543 S600 Y616 R617 L620 M631 F667I543-F602 HydrophobicContact CD1-CB 3.89Å; I543-F602 HydrophobicContact CD1-CD1 4.39Å; I543-F602 HydrophobicContact CD1-CG 4.26Å; I543-F602 HydrophobicContact CG1-CB 4.05Å; S600-F602 PolarHBondContact O-N 3.12Å; S600-F602 VanDerWaalsContact OG-CD2 3.24Å; S600-F602 WeakPolarHBondContact OG-CD2 3.49Å; S600-F602 PolarHBondContact OG-N 2.96Å; F602-Y616 WeakPolarHBondContact CE1-O 3.22Å; F602-R617 PolarHBondContact O-NE 2.98Å; F602-R617 PolarHBondContact O-NH2 3.24Å; F602-L620 HydrophobicContact CD1-CB 4.32Å; F602-L620 HydrophobicContact CD1-CD1 3.86Å; F602-L620 HydrophobicContact CD2-CD1 3.61Å; F602-L620 HydrophobicContact CE1-CB 3.89Å; F602-L620 HydrophobicContact CE1-CD1 3.72Å; F602-L620 HydrophobicContact CE1-CG 4.48Å; F602-L620 HydrophobicContact CE2-CD1 3.52Å; F602-L620 HydrophobicContact CG-CD1 3.81Å; F602-L620 HydrophobicContact CZ-CB 4.28Å; F602-L620 HydrophobicContact CZ-CD1 3.57Å; F602-M631 HydrophobicContact CE2-CB 4Å; F602-M631 HydrophobicContact CZ-CB 3.77Å; F602-M631 HydrophobicContact CZ-CG 4.21Å; F602-M631 HydrophobicContact CZ-SD 4.15Å; F602-F667 HydrophobicContact CE1-CE2 4.09Å; F602-F667 HydrophobicContact CE1-CZ 4.01Å; F602-F667 AromaticContact CZ-CE2 3.72Å; F602-F667 HydrophobicContact CZ-CE2 3.72Å; F602-F667 HydrophobicContact CZ-CZ 4Å
603L93.9Very high94.2Very high0 Ų033.3 Ų33.30%016%0.162CC..THydrogen-bonded Turntrans-106.7-50179.9-63.3177.6000111A542 A546 T552 L556 L559 L597 S600 V605A542-L603 HydrophobicContact CB-CD1 4.18Å; A542-L603 HydrophobicContact CB-CD2 3.94Å; A546-L603 HydrophobicContact CB-CD2 4.38Å; T552-L603 HydrophobicContact CG2-CB 4.47Å; T552-L603 WeakPolarHBondContact CG2-O 3.4Å; T552-L603 PolarHBondContact OG1-O 3.26Å; L556-L603 HydrophobicContact CD2-CB 4.11Å; L556-L603 HydrophobicContact CD2-CD1 3.74Å; L559-L603 HydrophobicContact CD2-CD1 4.22Å; L597-L603 HydrophobicContact CD1-CD1 4.25Å; L597-L603 HydrophobicContact CG-CD1 4.08Å; S600-L603 PolarHBondContact O-N 3.4Å; S600-L603 VanDerWaalsContact O-N 3.15Å; L603-V605 PolarHBondContact O-N 2.96Å
604Q91.3Very high94.2Very high76 Ų7633.2 Ų33.236%0.35516%0.163SC..  trans-80.297.2176.6-58.9-60.3-1900110.2L556 R598 S600 Q601 F606L556-Q604 VanDerWaalsContact CD1-NE2 3.26Å; R598-Q604 WeakPolarHBondContact O-CG 3.38Å; R598-Q604 PolarHBondContact O-NE2 3.14Å; S600-Q604 PolarHBondContact O-N 3.42Å; Q601-Q604 WeakPolarHBondContact CA-O 3.47Å; Q604-F606 VanDerWaalsContact C-N 3.3Å
605V90Very high94.2Very high25 Ų2534 Ų3415%0.15217%0.166CC..  trans-85.1-2.9-178.1-60.80000113.9W325 L603 S608W325-V605 HydrophobicContact CB-CG2 4.39Å; W325-V605 HydrophobicContact CD2-CB 4.04Å; W325-V605 HydrophobicContact CD2-CG2 3.8Å; W325-V605 HydrophobicContact CE3-CG2 4.26Å; W325-V605 HydrophobicContact CG-CB 4.1Å; W325-V605 HydrophobicContact CG-CG2 3.85Å; W325-V605 HydrophobicContact CH2-CG1 4.46Å; W325-V605 HydrophobicContact CZ2-CB 4.2Å; W325-V605 HydrophobicContact CZ2-CG1 3.87Å; L603-V605 PolarHBondContact O-N 2.96Å; V605-S608 PolarHBondContact O-N 3.07Å
606F84.6Confident94.3Very high166 Ų16635 Ų3573%0.72817%0.17SC*.THydrogen-bonded Turntrans-64.5143.7174.1-172.4-102000110.2Q604 S608Q604-F606 VanDerWaalsContact C-N 3.3Å; F606-S608 PolarHBondContact O-N 2.96Å
607N87Confident94.4Very high144 Ų14435.8 Ų35.877%0.7717%0.173SC*.THydrogen-bonded Turntrans6310-171.1-62-31000116.1
608S93.1Very high94.5Very high26 Ų2636.3 Ų36.318%0.18218%0.175CC..SBendtrans-118.1154.1167.2-61.40000110.5W325 V605 F606 E612W325-S608 VanDerWaalsContact CD1-O 3.25Å; V605-S608 PolarHBondContact O-N 3.07Å; F606-S608 PolarHBondContact O-N 2.96Å; S608-E612 VanDerWaalsContact CA-OE2 3.3Å; S608-E612 WeakPolarHBondContact CA-OE2 3.49Å
609S96.8Very high94.6Very high26 Ų2633.4 Ų33.418%0.18217%0.165CC..  trans-79.4156.3168.576.80000111.2D611 E612 S613S609-D611 PolarHBondContact O-N 2.89Å; S609-D611 VanDerWaalsContact O-N 3.16Å; S609-E612 PolarHBondContact N-OE2 3.19Å; S609-E612 PolarHBondContact O-N 3.39Å; S609-E612 WeakPolarHBondContact OG-CG 3.22Å; S609-E612 PolarHBondContact OG-N 2.88Å; S609-E612 VanDerWaalsContact OG-N 3.12Å; S609-E612 PolarHBondContact OG-OE2 2.8Å; S609-S613 PolarHBondContact O-N 3.41Å; S609-S613 PolarHBondContact O-OG 3.45Å
610P97.2Very high94.8Very high1 Ų131.1 Ų31.11%0.00616%0.156CC..Hα-helixtrans-52.1-31.5171.3-30.934.3000115W325 I328 Q366 H370 A614W325-P610 HydrophobicContact CD2-CG 4.22Å; W325-P610 HydrophobicContact CG-CG 4.12Å; I328-P610 HydrophobicContact CD1-CB 4.04Å; I328-P610 HydrophobicContact CD1-CG 3.72Å; Q366-P610 VanDerWaalsContact OE1-CD 3.25Å; H370-P610 HydrophobicContact CB-CB 3.98Å; H370-P610 PolarHBondContact ND1-O 3.24Å; P610-A614 WeakPolarHBondContact O-CB 3.33Å; P610-A614 PolarHBondContact O-N 3.32Å; P610-A614 VanDerWaalsContact O-N 3.14Å
611D98.4Very high95Very high4 Ų431.8 Ų31.82%0.02116%0.158CC..Hα-helixtrans-75-44.4178-79.79.1000112.5R323 Q366 T367 G368 L369 H370 S609 S613 A614 F615R323-D611 IonicContact CZ-OD1 3.54Å; R323-D611 IonicContact NH1-OD1 2.61Å; R323-D611 IonicContact NH2-OD1 2.66Å; R323-D611 PolarHBondContact NH2-OD1 3.16Å; Q366-D611 HydrophobicContact CB-CB 4.48Å; Q366-D611 WeakPolarHBondContact CB-OD2 3.39Å; Q366-D611 HydrophobicContact CG-CB 4.31Å; T367-D611 PolarHBondContact N-OD2 2.8Å; G368-D611 PolarHBondContact N-OD2 2.99Å; L369-D611 HydrophobicContact CB-CB 3.97Å; L369-D611 HydrophobicContact CD1-CB 4.34Å; L369-D611 HydrophobicContact CG-CB 4.36Å; L369-D611 PolarHBondContact N-OD1 2.83Å; L369-D611 PolarHBondContact N-OD2 3.13Å; L369-D611 VanDerWaalsContact N-OD2 3.13Å; H370-D611 PolarHBondContact N-OD1 2.99Å; S609-D611 PolarHBondContact O-N 2.89Å; S609-D611 VanDerWaalsContact O-N 3.16Å; D611-S613 VanDerWaalsContact C-N 3.33Å; D611-S613 PolarHBondContact O-N 2.95Å; D611-A614 WeakPolarHBondContact O-CB 3.47Å; D611-A614 PolarHBondContact O-N 3.07Å; D611-A614 VanDerWaalsContact O-N 3.12Å; D611-F615 PolarHBondContact O-N 2.63Å
612E97.5Very high95.2Very high64 Ų6431.6 Ų31.630%0.29916%0.159SC..Hα-helixtrans-59-46.2174.2-74.3171.7145.300110.9M385 S608 S609 A614 F615 Y616M385-E612 HydrophobicContact CE-CB 4.34Å; M385-E612 HydrophobicContact CE-CG 3.73Å; M385-E612 HydrophobicContact SD-CG 4.25Å; S608-E612 VanDerWaalsContact CA-OE2 3.3Å; S608-E612 WeakPolarHBondContact CA-OE2 3.49Å; S609-E612 PolarHBondContact N-OE2 3.19Å; S609-E612 PolarHBondContact O-N 3.39Å; S609-E612 WeakPolarHBondContact OG-CG 3.22Å; S609-E612 PolarHBondContact OG-N 2.88Å; S609-E612 VanDerWaalsContact OG-N 3.12Å; S609-E612 PolarHBondContact OG-OE2 2.8Å; E612-A614 VanDerWaalsContact C-N 3.28Å; E612-A614 PolarHBondContact O-N 3.24Å; E612-F615 PolarHBondContact O-N 3.1Å; E612-Y616 HydrophobicContact CB-CD2 4.37Å; E612-Y616 HydrophobicContact CB-CE2 3.85Å; E612-Y616 WeakPolarHBondContact O-CD2 3.33Å; E612-Y616 VanDerWaalsContact O-CG 3.23Å; E612-Y616 PolarHBondContact O-N 2.83Å
613S96.7Very high95.2Very high0 Ų031.8 Ų31.80%016%0.16CC..Hα-helixtrans-60.9-37.3175.9-59.20000112.3W325 S609 D611 R617W325-S613 PolarHBondContact NE1-OG 3.17Å; S609-S613 PolarHBondContact O-N 3.41Å; S609-S613 PolarHBondContact O-OG 3.45Å; D611-S613 VanDerWaalsContact C-N 3.33Å; D611-S613 PolarHBondContact O-N 2.95Å; S613-R617 VanDerWaalsContact O-CB 3.31Å; S613-R617 WeakPolarHBondContact O-CB 3.24Å; S613-R617 WeakPolarHBondContact O-CD 3.13Å; S613-R617 WeakPolarHBondContact O-CG 3.46Å; S613-R617 PolarHBondContact O-N 2.91Å; S613-R617 VanDerWaalsContact O-N 3.11Å
614A97.1Very high95.3Very high7 Ų733 Ų336%0.05817%0.166CC..Hα-helixtrans-66.2-42.6175.700000111.6K373 P610 D611 E612 H618K373-A614 HydrophobicContact CB-CB 4.48Å; P610-A614 WeakPolarHBondContact O-CB 3.33Å; P610-A614 PolarHBondContact O-N 3.32Å; P610-A614 VanDerWaalsContact O-N 3.14Å; D611-A614 WeakPolarHBondContact O-CB 3.47Å; D611-A614 PolarHBondContact O-N 3.07Å; D611-A614 VanDerWaalsContact O-N 3.12Å; E612-A614 VanDerWaalsContact C-N 3.28Å; E612-A614 PolarHBondContact O-N 3.24Å; A614-H618 WeakPolarHBondContact O-CB 3.34Å; A614-H618 PolarHBondContact O-N 3.3Å
615F97.9Very high95.6Very high18 Ų1829.4 Ų29.48%0.07915%0.15CC..Hα-helixtrans-62.1-53175.5170.9-107.2000112.1M383 M385 D611 E612 R617 H618 V619 F667 P714M383-F615 HydrophobicContact CG-CD2 4.16Å; M383-F615 WeakPolarHBondContact O-CE2 3.35Å; M383-F615 HydrophobicContact SD-CB 4.01Å; M383-F615 HydrophobicContact SD-CD2 4.33Å; M385-F615 HydrophobicContact CB-CD2 4.04Å; M385-F615 HydrophobicContact CB-CE2 4.37Å; M385-F615 HydrophobicContact CB-CG 4.11Å; M385-F615 HydrophobicContact CE-CB 4.22Å; M385-F615 HydrophobicContact CE-CD1 3.75Å; M385-F615 HydrophobicContact CE-CE1 4.41Å; M385-F615 HydrophobicContact CE-CG 4.12Å; M385-F615 HydrophobicContact SD-CB 4.16Å; M385-F615 HydrophobicContact SD-CG 4.44Å; D611-F615 PolarHBondContact O-N 2.63Å; E612-F615 PolarHBondContact O-N 3.1Å; F615-R617 VanDerWaalsContact C-N 3.32Å; F615-R617 PolarHBondContact O-N 3.5Å; F615-H618 WeakPolarHBondContact O-CB 3.48Å; F615-H618 PolarHBondContact O-N 3.13Å; F615-H618 VanDerWaalsContact O-N 3.14Å; F615-V619 HydrophobicContact CD2-CG2 4.16Å; F615-V619 HydrophobicContact CE1-CG2 4.47Å; F615-V619 HydrophobicContact CE2-CG2 3.76Å; F615-V619 HydrophobicContact CZ-CG2 3.94Å; F615-V619 WeakPolarHBondContact O-CG2 3.35Å; F615-V619 PolarHBondContact O-N 3.34Å; F615-F667 AromaticContact CE1-CD1 3.88Å; F615-F667 HydrophobicContact CE1-CD1 3.88Å; F615-F667 HydrophobicContact CE1-CE1 4.08Å; F615-P714 HydrophobicContact CE2-CG 4.25Å; F615-P714 HydrophobicContact CZ-CG 4Å
616Y97.4Very high95.9Very high21 Ų2131.4 Ų31.48%0.08216%0.162CC..Hα-helixtrans-58.1-44.6179.7-61.2-38.2000111.9Q601 F602 E612 V619 L620 F667Q601-Y616 HydrophobicContact CB-CD2 4.12Å; Q601-Y616 HydrophobicContact CB-CE2 4.35Å; Q601-Y616 HydrophobicContact CG-CD2 3.53Å; Q601-Y616 HydrophobicContact CG-CE2 3.95Å; Q601-Y616 HydrophobicContact CG-CG 4Å; F602-Y616 WeakPolarHBondContact CE1-O 3.22Å; E612-Y616 HydrophobicContact CB-CD2 4.37Å; E612-Y616 HydrophobicContact CB-CE2 3.85Å; E612-Y616 WeakPolarHBondContact O-CD2 3.33Å; E612-Y616 VanDerWaalsContact O-CG 3.23Å; E612-Y616 PolarHBondContact O-N 2.83Å; Y616-V619 PolarHBondContact O-N 2.95Å; Y616-L620 PolarHBondContact O-N 3.36Å; Y616-L620 VanDerWaalsContact O-N 3.13Å; Y616-F667 AromaticContact CD1-CD1 3.65Å; Y616-F667 HydrophobicContact CD1-CD1 3.65Å; Y616-F667 HydrophobicContact CD1-CD2 4.12Å; Y616-F667 AromaticContact CD1-CE1 3.52Å; Y616-F667 HydrophobicContact CD1-CE1 3.52Å; Y616-F667 AromaticContact CD1-CE2 4Å; Y616-F667 HydrophobicContact CD1-CE2 4Å; Y616-F667 AromaticContact CD1-CG 3.95Å; Y616-F667 HydrophobicContact CD1-CG 3.95Å; Y616-F667 AromaticContact CD1-CZ 3.7Å; Y616-F667 HydrophobicContact CD1-CZ 3.7Å; Y616-F667 HydrophobicContact CE1-CB 4.36Å; Y616-F667 AromaticContact CE1-CD1 3.83Å; Y616-F667 HydrophobicContact CE1-CD1 3.83Å; Y616-F667 HydrophobicContact CE1-CD2 4.28Å; Y616-F667 HydrophobicContact CE1-CE1 4.19Å; Y616-F667 AromaticContact CE1-CG 3.87Å; Y616-F667 HydrophobicContact CE1-CG 3.87Å; Y616-F667 HydrophobicContact CG-CE1 4.5Å; Y616-F667 HydrophobicContact CG-CZ 4.33Å
617R97.4Very high96.4Very high24 Ų2425.6 Ų25.69%0.09114%0.137CC..Hα-helixtrans-65.5-39177.6-71.3172.9177.6179.37.8112.3I543 T547 F602 S613 F615 M621I543-R617 HydrophobicContact CD1-CG 4.46Å; I543-R617 HydrophobicContact CG1-CG 4.47Å; I543-R617 HydrophobicContact CG2-CB 4.08Å; I543-R617 HydrophobicContact CG2-CG 3.75Å; T547-R617 PolarHBondContact OG1-NH1 3.25Å; T547-R617 VanDerWaalsContact OG1-NH1 3.14Å; F602-R617 PolarHBondContact O-NE 2.98Å; F602-R617 PolarHBondContact O-NH2 3.24Å; S613-R617 VanDerWaalsContact O-CB 3.31Å; S613-R617 WeakPolarHBondContact O-CB 3.24Å; S613-R617 WeakPolarHBondContact O-CD 3.13Å; S613-R617 WeakPolarHBondContact O-CG 3.46Å; S613-R617 PolarHBondContact O-N 2.91Å; S613-R617 VanDerWaalsContact O-N 3.11Å; F615-R617 VanDerWaalsContact C-N 3.32Å; F615-R617 PolarHBondContact O-N 3.5Å; R617-M621 WeakPolarHBondContact O-CB 3.17Å; R617-M621 WeakPolarHBondContact O-CG 3.33Å; R617-M621 PolarHBondContact O-N 2.96Å
618H97.6Very high96.9Very high11 Ų1118.8 Ų18.85%0.05110%0.1CC..Hα-helixtrans-60.2-46.5176.116975.8000111.7N377 G381 M383 A614 F615 M621 T622N377-H618 PolarHBondContact OD1-ND1 3.07Å; G381-H618 PolarHBondContact O-CE1 2.85Å; M383-H618 VanDerWaalsContact CB-CD2 3.47Å; M383-H618 WeakPolarHBondContact CB-CD2 2.95Å; M383-H618 PolarHBondContact N-NE2 3.26Å; M383-H618 HydrophobicContact SD-CB 4.42Å; A614-H618 WeakPolarHBondContact O-CB 3.34Å; A614-H618 PolarHBondContact O-N 3.3Å; F615-H618 WeakPolarHBondContact O-CB 3.48Å; F615-H618 PolarHBondContact O-N 3.13Å; F615-H618 VanDerWaalsContact O-N 3.14Å; H618-M621 PolarHBondContact O-N 3.31Å; H618-T622 PolarHBondContact O-N 3.04Å; H618-T622 PolarHBondContact O-OG1 2.97Å
619V97.6Very high97.2Very high4 Ų418.4 Ų18.42%0.02410%0.097CC..Hα-helixtrans-63.5-48.6-179.3175.30000111.1F615 Y616 M621 T622 E623 M631 F666 F667 P714F615-V619 HydrophobicContact CD2-CG2 4.16Å; F615-V619 HydrophobicContact CE1-CG2 4.47Å; F615-V619 HydrophobicContact CE2-CG2 3.76Å; F615-V619 HydrophobicContact CZ-CG2 3.94Å; F615-V619 WeakPolarHBondContact O-CG2 3.35Å; F615-V619 PolarHBondContact O-N 3.34Å; Y616-V619 PolarHBondContact O-N 2.95Å; V619-M621 VanDerWaalsContact C-N 3.26Å; V619-M621 PolarHBondContact O-N 3.45Å; V619-T622 PolarHBondContact O-N 3.15Å; V619-E623 HydrophobicContact CG1-CG 4.02Å; V619-E623 PolarHBondContact O-N 3.36Å; V619-M631 HydrophobicContact CG1-CE 3.57Å; V619-M631 HydrophobicContact CG1-SD 4.12Å; V619-F666 HydrophobicContact CG1-CD1 4.08Å; V619-F666 HydrophobicContact CG1-CE1 3.32Å; V619-F666 HydrophobicContact CG1-CZ 3.69Å; V619-F667 HydrophobicContact CB-CE1 3.99Å; V619-F667 HydrophobicContact CB-CZ 4.35Å; V619-F667 HydrophobicContact CG1-CE1 3.92Å; V619-F667 HydrophobicContact CG1-CZ 4.28Å; V619-F667 HydrophobicContact CG2-CE1 4.22Å; V619-P714 HydrophobicContact CG2-CG 4.46Å
620L97.8Very high97.2Very high0 Ų018 Ų180%09%0.093CC..Hα-helixtrans-62.6-33177.5-174.9154.8000112.7A539 R540 I543 F602 Y616 T622 C628 M631 I632A539-L620 HydrophobicContact CB-CD1 4.45Å; A539-L620 HydrophobicContact CB-CD2 4.4Å; R540-L620 HydrophobicContact CG-CD2 3.63Å; R540-L620 PolarHBondContact NE-O 2.8Å; R540-L620 VanDerWaalsContact NE-O 3.14Å; R540-L620 PolarHBondContact NH2-O 2.96Å; I543-L620 HydrophobicContact CD1-CD1 3.99Å; I543-L620 HydrophobicContact CD1-CD2 3.54Å; I543-L620 HydrophobicContact CD1-CG 4.24Å; F602-L620 HydrophobicContact CD1-CB 4.32Å; F602-L620 HydrophobicContact CD1-CD1 3.86Å; F602-L620 HydrophobicContact CD2-CD1 3.61Å; F602-L620 HydrophobicContact CE1-CB 3.89Å; F602-L620 HydrophobicContact CE1-CD1 3.72Å; F602-L620 HydrophobicContact CE1-CG 4.48Å; F602-L620 HydrophobicContact CE2-CD1 3.52Å; F602-L620 HydrophobicContact CG-CD1 3.81Å; F602-L620 HydrophobicContact CZ-CB 4.28Å; F602-L620 HydrophobicContact CZ-CD1 3.57Å; Y616-L620 PolarHBondContact O-N 3.36Å; Y616-L620 VanDerWaalsContact O-N 3.13Å; L620-T622 PolarHBondContact O-N 3.12Å; L620-C628 PolarHBondContact O-SG 3.27Å; L620-C628 VanDerWaalsContact O-SG 3.38Å; L620-M631 HydrophobicContact CB-SD 3.88Å; L620-M631 HydrophobicContact CG-SD 4.38Å; L620-I632 HydrophobicContact CD1-CG1 4.47Å
621M97.5Very high97.2Very high24 Ų2418.3 Ų18.312%0.11810%0.095CC..Hα-helixtrans-72.9-11.7174.8-73.9-70.7-176.400113.9G433 R540 I543 W544 R617 H618 V619G433-M621 WeakPolarHBondContact CA-O 3.23Å; R540-M621 HydrophobicContact CB-CE 4.14Å; R540-M621 HydrophobicContact CB-SD 4.04Å; R540-M621 HydrophobicContact CG-CE 4.41Å; R540-M621 HydrophobicContact CG-SD 3.84Å; R540-M621 PolarHBondContact NH2-O 3.14Å; R540-M621 VanDerWaalsContact O-CE 3.26Å; R540-M621 WeakPolarHBondContact O-CE 3.31Å; I543-M621 HydrophobicContact CB-CE 3.81Å; I543-M621 HydrophobicContact CG2-CE 3.58Å; W544-M621 HydrophobicContact CB-CE 4.41Å; R617-M621 WeakPolarHBondContact O-CB 3.17Å; R617-M621 WeakPolarHBondContact O-CG 3.33Å; R617-M621 PolarHBondContact O-N 2.96Å; H618-M621 PolarHBondContact O-N 3.31Å; V619-M621 VanDerWaalsContact C-N 3.26Å; V619-M621 PolarHBondContact O-N 3.45Å
622T96.2Very high97.1Very high22 Ų2218.3 Ų18.314%0.13510%0.095CC..Hα-helixtrans-107.5-43.5-178-55.30000111.8C434 H466 T468 H618 V619 L620C434-T622 PolarHBondContact SG-OG1 3.16Å; H466-T622 CarbonylContact O-C 3.51Å; T468-T622 WeakPolarHBondContact CA-O 3.4Å; T468-T622 WeakPolarHBondContact CB-O 3.49Å; T468-T622 PolarHBondContact N-O 3.1Å; H618-T622 PolarHBondContact O-N 3.04Å; H618-T622 PolarHBondContact O-OG1 2.97Å; V619-T622 PolarHBondContact O-N 3.15Å; L620-T622 PolarHBondContact O-N 3.12Å
623E96.6Very high97.1Very high5 Ų516.9 Ų16.92%0.0239%0.088CC..SBendtrans-70.5165.2-170.4-75.1-55139.800115.5H466 T468 R540 V619 E627 C628 M631 F666H466-E623 WeakPolarHBondContact CB-OE1 3.35Å; H466-E623 IonicContact CG-OE1 3.58Å; H466-E623 IonicContact ND1-OE1 3.15Å; H466-E623 IonicContact ND1-OE2 3.53Å; H466-E623 PolarHBondContact ND1-OE2 3.11Å; T468-E623 WeakPolarHBondContact CB-O 3.35Å; R540-E623 PolarHBondContact NH2-O 3.14Å; V619-E623 HydrophobicContact CG1-CG 4.02Å; V619-E623 PolarHBondContact O-N 3.36Å; E623-E627 HydrophobicContact CB-CB 4Å; E623-E627 HydrophobicContact CG-CB 4.33Å; E623-C628 PolarHBondContact O-SG 2.84Å; E623-M631 HydrophobicContact CB-CE 3.67Å; E623-M631 HydrophobicContact CG-CE 3.59Å; E623-F666 HydrophobicContact CG-CE2 4.01Å; E623-F666 HydrophobicContact CG-CZ 3.88Å
624N95.8Very high97.1Very high24 Ų2417.3 Ų17.313%0.1289%0.091CC..  trans-73.1176.6178.469.245.9000113.1T626 E627 C628N624-T626 WeakPolarHBondContact OD1-CB 3.35Å; N624-T626 PolarHBondContact OD1-N 3.43Å; N624-E627 PolarHBondContact OD1-N 2.81Å; N624-C628 VanDerWaalsContact O-CB 3.31Å; N624-C628 WeakPolarHBondContact O-CB 3.41Å; N624-C628 PolarHBondContact O-N 3.33Å; N624-C628 PolarHBondContact O-SG 2.97Å
625V97.6Very high97Very high2 Ų219.4 Ų19.41%0.01210%0.103CC..Hα-helixtrans-61.7-46.4-177.5175.70000111.8R17 H40 E532 V536 C628 V629R17-V625 HydrophobicContact CB-CG2 3.78Å; R17-V625 HydrophobicContact CG-CB 4.34Å; R17-V625 HydrophobicContact CG-CG2 3.94Å; H40-V625 HydrophobicContact CB-CG2 3.82Å; H40-V625 WeakPolarHBondContact CD2-CG2 3.48Å; E532-V625 HydrophobicContact CB-CG1 3.97Å; V536-V625 HydrophobicContact CG2-CG1 4.09Å; V625-C628 PolarHBondContact O-N 2.85Å; V625-V629 HydrophobicContact CG1-CG2 4.27Å; V625-V629 WeakPolarHBondContact O-CG2 3.47Å; V625-V629 PolarHBondContact O-N 3.43Å
626T95.4Very high96.9Very high66 Ų6618.7 Ų18.741%0.40510%0.1SC..Hα-helixtrans-58-52.8-178.5-55.70000111.9N624 C628 V629 T630N624-T626 WeakPolarHBondContact OD1-CB 3.35Å; N624-T626 PolarHBondContact OD1-N 3.43Å; T626-C628 VanDerWaalsContact C-N 3.32Å; T626-C628 PolarHBondContact O-N 2.96Å; T626-V629 PolarHBondContact O-N 3.26Å; T626-T630 PolarHBondContact O-N 2.8Å; T626-T630 VanDerWaalsContact O-N 3.14Å; T626-T630 PolarHBondContact O-OG1 2.89Å
627E96.4Very high97Very high45 Ų4521 Ų2121%0.2111%0.11CC..Hα-helixtrans-64.9-37.3178.8-62.5-56.1142.600111.7E623 N624 V629 T630 M631 F666 R712E623-E627 HydrophobicContact CB-CB 4Å; E623-E627 HydrophobicContact CG-CB 4.33Å; N624-E627 PolarHBondContact OD1-N 2.81Å; E627-V629 VanDerWaalsContact C-N 3.33Å; E627-V629 PolarHBondContact O-N 3.44Å; E627-T630 PolarHBondContact O-N 3.24Å; E627-M631 HydrophobicContact CB-CE 4.16Å; E627-M631 WeakPolarHBondContact O-CG 3.41Å; E627-M631 PolarHBondContact O-N 3.09Å; E627-F666 HydrophobicContact CB-CD2 3.85Å; E627-F666 HydrophobicContact CB-CE2 3.76Å; E627-F666 HydrophobicContact CG-CD2 4.31Å; E627-F666 HydrophobicContact CG-CE2 3.98Å; E627-F666 WeakPolarHBondContact OE2-CD2 3.13Å; E627-F666 WeakPolarHBondContact OE2-CE2 3.26Å; E627-R712 IonicContact OE2-CZ 3.21Å; E627-R712 IonicContact OE2-NE 2.67Å; E627-R712 PolarHBondContact OE2-NE 2.87Å; E627-R712 VanDerWaalsContact OE2-NE 3.17Å; E627-R712 IonicContact OE2-NH2 3.62Å; E627-R712 PolarHBondContact OE2-NH2 2.88Å
628C98Very high97Very high0 Ų019.9 Ų19.90%011%0.107CC..Hα-helixtrans-66.4-33.8176.2-700000112.5V536 L620 E623 N624 V625 T626 M631 I632V536-C628 HydrophobicContact CB-CB 4.22Å; V536-C628 HydrophobicContact CG1-CB 3.67Å; V536-C628 HydrophobicContact CG2-CB 3.45Å; V536-C628 VanDerWaalsContact CG2-CB 3.45Å; L620-C628 PolarHBondContact O-SG 3.27Å; L620-C628 VanDerWaalsContact O-SG 3.38Å; E623-C628 PolarHBondContact O-SG 2.84Å; N624-C628 VanDerWaalsContact O-CB 3.31Å; N624-C628 WeakPolarHBondContact O-CB 3.41Å; N624-C628 PolarHBondContact O-N 3.33Å; N624-C628 PolarHBondContact O-SG 2.97Å; V625-C628 PolarHBondContact O-N 2.85Å; T626-C628 VanDerWaalsContact C-N 3.32Å; T626-C628 PolarHBondContact O-N 2.96Å; C628-M631 WeakPolarHBondContact O-CB 3.37Å; C628-M631 PolarHBondContact O-N 3Å; C628-I632 WeakPolarHBondContact O-CD1 3.47Å; C628-I632 VanDerWaalsContact O-CG1 3.23Å; C628-I632 WeakPolarHBondContact O-CG1 3.34Å; C628-I632 PolarHBondContact O-N 2.94Å
629V97.6Very high97Very high19 Ų1919.8 Ų19.812%0.11511%0.106CC..Hα-helixtrans-65.7-45.3173.6170.20000110E532 V536 F593 V625 T626 E627 M631 I632 Q633E532-V629 HydrophobicContact CB-CG2 3.85Å; E532-V629 HydrophobicContact CG-CG2 4.09Å; V536-V629 HydrophobicContact CG2-CG2 4.05Å; F593-V629 HydrophobicContact CD1-CG1 4.5Å; F593-V629 HydrophobicContact CE1-CG1 3.72Å; F593-V629 HydrophobicContact CZ-CG1 4.06Å; V625-V629 HydrophobicContact CG1-CG2 4.27Å; V625-V629 WeakPolarHBondContact O-CG2 3.47Å; V625-V629 PolarHBondContact O-N 3.43Å; T626-V629 PolarHBondContact O-N 3.26Å; E627-V629 VanDerWaalsContact C-N 3.33Å; E627-V629 PolarHBondContact O-N 3.44Å; V629-M631 VanDerWaalsContact C-N 3.29Å; V629-M631 PolarHBondContact O-N 3.24Å; V629-I632 PolarHBondContact O-N 3.41Å; V629-I632 VanDerWaalsContact O-N 3.1Å; V629-Q633 PolarHBondContact O-N 3.06Å
630T97Very high96.9Very high16 Ų1620.3 Ų20.310%0.09811%0.11CC..Hα-helixtrans-59-39.2174.5-55.90000112.2T626 E627 Q633 P634 V635 D664 F666T626-T630 PolarHBondContact O-N 2.8Å; T626-T630 VanDerWaalsContact O-N 3.14Å; T626-T630 PolarHBondContact O-OG1 2.89Å; E627-T630 PolarHBondContact O-N 3.24Å; T630-Q633 CarbonylContact O-C 3.58Å; T630-Q633 VanDerWaalsContact O-C 3.32Å; T630-P634 WeakPolarHBondContact O-CA 3.17Å; T630-V635 HydrophobicContact CG2-CG2 4.48Å; T630-D664 WeakPolarHBondContact CG2-O 3.28Å; T630-F666 HydrophobicContact CG2-CB 4.48Å
631M97.7Very high96.7Very high8 Ų825.3 Ų25.34%0.03913%0.132CC..Hα-helixtrans-62.9-40.9173.5-79.7179.6-137.600113.2F602 V619 L620 E623 E627 C628 V629 F666 F667F602-M631 HydrophobicContact CE2-CB 4Å; F602-M631 HydrophobicContact CZ-CB 3.77Å; F602-M631 HydrophobicContact CZ-CG 4.21Å; F602-M631 HydrophobicContact CZ-SD 4.15Å; V619-M631 HydrophobicContact CG1-CE 3.57Å; V619-M631 HydrophobicContact CG1-SD 4.12Å; L620-M631 HydrophobicContact CB-SD 3.88Å; L620-M631 HydrophobicContact CG-SD 4.38Å; E623-M631 HydrophobicContact CB-CE 3.67Å; E623-M631 HydrophobicContact CG-CE 3.59Å; E627-M631 HydrophobicContact CB-CE 4.16Å; E627-M631 WeakPolarHBondContact O-CG 3.41Å; E627-M631 PolarHBondContact O-N 3.09Å; C628-M631 WeakPolarHBondContact O-CB 3.37Å; C628-M631 PolarHBondContact O-N 3Å; V629-M631 VanDerWaalsContact C-N 3.29Å; V629-M631 PolarHBondContact O-N 3.24Å; M631-F666 HydrophobicContact CB-CB 4.45Å; M631-F666 HydrophobicContact CE-CB 4.43Å; M631-F666 HydrophobicContact CE-CD1 3.73Å; M631-F666 HydrophobicContact CE-CD2 3.47Å; M631-F666 VanDerWaalsContact CE-CD2 3.47Å; M631-F666 HydrophobicContact CE-CE1 3.81Å; M631-F666 HydrophobicContact CE-CE2 3.51Å; M631-F666 HydrophobicContact CE-CG 3.59Å; M631-F666 HydrophobicContact CE-CZ 3.68Å; M631-F666 HydrophobicContact CG-CB 3.43Å; M631-F666 VanDerWaalsContact CG-CB 3.43Å; M631-F666 HydrophobicContact CG-CD1 4.05Å; M631-F666 HydrophobicContact CG-CD2 4.19Å; M631-F666 HydrophobicContact CG-CG 3.62Å; M631-F666 HydrophobicContact SD-CD1 4.38Å; M631-F666 HydrophobicContact SD-CG 4.35Å; M631-F667 HydrophobicContact CB-CE2 4.48Å; M631-F667 HydrophobicContact CG-CE2 3.87Å; M631-F667 HydrophobicContact CG-CZ 4.06Å; M631-F667 HydrophobicContact SD-CE2 4.32Å; M631-F667 HydrophobicContact SD-CZ 3.93Å
632I97.2Very high96.3Very high4 Ų431 Ų312%0.02116%0.162CC..Hα-helixtrans-74.2-50.6-178.6-70.8166.1000110V536 A539 F593 H596 L597 L620 C628 V629V536-I632 HydrophobicContact CG2-CD1 4.38Å; A539-I632 HydrophobicContact CB-CD1 3.71Å; A539-I632 HydrophobicContact CB-CG1 4.42Å; F593-I632 WeakPolarHBondContact O-CG2 3.22Å; H596-I632 HydrophobicContact CB-CG2 4.44Å; H596-I632 WeakPolarHBondContact CB-O 3.03Å; L597-I632 HydrophobicContact CB-CG2 3.92Å; L597-I632 HydrophobicContact CD1-CG1 4.36Å; L620-I632 HydrophobicContact CD1-CG1 4.47Å; C628-I632 WeakPolarHBondContact O-CD1 3.47Å; C628-I632 VanDerWaalsContact O-CG1 3.23Å; C628-I632 WeakPolarHBondContact O-CG1 3.34Å; C628-I632 PolarHBondContact O-N 2.94Å; V629-I632 PolarHBondContact O-N 3.41Å; V629-I632 VanDerWaalsContact O-N 3.1Å
633Q96.2Very high96Very high35 Ų3531.7 Ų31.716%0.16418%0.175CC..SBendtrans-12698-179.4179176.2-28.700108.7F593 H596 V629 T630F593-Q633 HydrophobicContact CD1-CB 4.15Å; F593-Q633 VanDerWaalsContact CD1-OE1 3.23Å; F593-Q633 HydrophobicContact CE1-CB 4.43Å; H596-Q633 HydrophobicContact CB-CB 4.21Å; H596-Q633 PolarHBondContact CD2-OE1 3.33Å; V629-Q633 PolarHBondContact O-N 3.06Å; T630-Q633 CarbonylContact O-C 3.58Å; T630-Q633 VanDerWaalsContact O-C 3.32Å
634P96.5Very high95.8Very high8 Ų836.8 Ų36.85%0.05221%0.208CC..  trans-54.7145.9177.6-29.336.9000112.9T630 L650 M663 D664 D665 K734T630-P634 WeakPolarHBondContact O-CA 3.17Å; P634-L650 HydrophobicContact CB-CD1 4.07Å; P634-L650 HydrophobicContact CB-CD2 3.93Å; P634-L650 HydrophobicContact CG-CD2 4.07Å; P634-M663 HydrophobicContact CB-CG 4.28Å; P634-D664 CarbonylContact C-O 3.52Å; P634-D664 VanDerWaalsContact CA-O 3.32Å; P634-D664 WeakPolarHBondContact CA-O 3.36Å; P634-D664 WeakPolarHBondContact CB-O 3.39Å; P634-D665 HydrophobicContact CB-CB 3.74Å; P634-D665 HydrophobicContact CG-CB 3.54Å; P634-K734 HydrophobicContact CG-CB 4.33Å; P634-K734 HydrophobicContact CG-CD 4.3Å; P634-K734 HydrophobicContact CG-CG 4.4Å
635V95.3Very high95.8Very high51 Ų5138.6 Ų38.631%0.30922%0.221SC..EExtended strand (participates in β ladder)trans-92.9140176.7-174.60000109.1T630 F637 M663 D664T630-V635 HydrophobicContact CG2-CG2 4.48Å; V635-F637 HydrophobicContact CB-CE2 4.45Å; V635-F637 HydrophobicContact CG1-CD2 3.94Å; V635-F637 HydrophobicContact CG1-CE2 3.38Å; V635-F637 HydrophobicContact CG1-CZ 3.94Å; V635-M663 WeakPolarHBondContact O-CA 3.46Å; V635-D664 PolarHBondContact N-O 2.86Å; V635-D664 PolarHBondContact O-N 3.3Å
636L97.2Very high95.7Very high3 Ų342.6 Ų42.62%0.01624%0.239CC..EExtended strand (participates in β ladder)trans-127.7121.8179.6-167.265.9000109.6P647 V648 L650 L661 L662 M663 L731L636-P647 WeakPolarHBondContact O-CA 3.45Å; L636-V648 HydrophobicContact CB-CG2 4.03Å; L636-V648 HydrophobicContact CD2-CG2 3.79Å; L636-V648 HydrophobicContact CG-CG2 3.7Å; L636-V648 WeakPolarHBondContact O-CG2 3.4Å; L636-V648 PolarHBondContact O-N 3.26Å; L636-L650 HydrophobicContact CB-CD1 4.04Å; L636-L650 HydrophobicContact CD2-CD1 4.4Å; L636-L661 HydrophobicContact CD1-CB 3.99Å; L636-L661 HydrophobicContact CD1-CD1 4.4Å; L636-L661 HydrophobicContact CD2-CD1 4.29Å; L636-L661 HydrophobicContact CG-CD2 4.43Å; L636-L662 WeakPolarHBondContact CA-O 3.17Å; L636-M663 HydrophobicContact CD1-CB 3.69Å; L636-M663 HydrophobicContact CD1-CG 4.21Å; L636-L731 HydrophobicContact CD1-CD1 3.93Å
637F97.6Very high95.7Very high69 Ų6944 Ų4430%0.30325%0.25SS..EExtended strand (participates in β ladder)trans-108.2141.7173.4-70.7-87.9000110.4V635 Y639 E646 P647 L661 L662V635-F637 HydrophobicContact CB-CE2 4.45Å; V635-F637 HydrophobicContact CG1-CD2 3.94Å; V635-F637 HydrophobicContact CG1-CE2 3.38Å; V635-F637 HydrophobicContact CG1-CZ 3.94Å; F637-Y639 HydrophobicContact CB-CE2 3.87Å; F637-E646 CarbonylContact C-O 3.57Å; F637-E646 WeakPolarHBondContact CA-O 3.45Å; F637-P647 HydrophobicContact CD1-CB 4.28Å; F637-P647 HydrophobicContact CE1-CB 4.05Å; F637-L661 CarbonylContact O-C 3.56Å; F637-L661 VanDerWaalsContact O-CA 3.26Å; F637-L661 WeakPolarHBondContact O-CA 3.49Å; F637-L662 HydrophobicContact CB-CB 4.36Å; F637-L662 PolarHBondContact N-O 3.08Å; F637-L662 PolarHBondContact O-N 3.2Å
638A97.6Very high95.6Very high2 Ų243.3 Ų43.32%0.01725%0.249CC..EExtended strand (participates in β ladder)trans-109.9136174.400000111.4P645 E646 V648 I660 L661A638-P645 WeakPolarHBondContact O-CA 3.44Å; A638-E646 HydrophobicContact CB-CG 4.32Å; A638-E646 PolarHBondContact N-O 3.07Å; A638-E646 PolarHBondContact O-N 3.2Å; A638-E646 VanDerWaalsContact O-N 3.12Å; A638-V648 HydrophobicContact CB-CB 4.48Å; A638-V648 HydrophobicContact CB-CG1 3.54Å; A638-V648 HydrophobicContact CB-CG2 4.09Å; A638-I660 WeakPolarHBondContact CA-O 3.49Å; A638-L661 HydrophobicContact CB-CD2 3.85Å
639Y98Very high95.4Very high8 Ų848.9 Ų48.93%0.03128%0.278CS..EExtended strand (participates in β ladder)trans-117.3128.5176.4-58-109.9000107.6F637 P645 R659 I660 L662 A700 P701 D704F637-Y639 HydrophobicContact CB-CE2 3.87Å; Y639-P645 HydrophobicContact CD1-CB 3.98Å; Y639-P645 HydrophobicContact CD1-CG 3.62Å; Y639-P645 HydrophobicContact CE1-CB 3.64Å; Y639-P645 HydrophobicContact CE1-CG 3.36Å; Y639-P645 HydrophobicContact CE2-CB 4.49Å; Y639-R659 WeakPolarHBondContact O-CA 3.47Å; Y639-I660 PolarHBondContact N-O 2.92Å; Y639-I660 PolarHBondContact O-N 3.42Å; Y639-L662 HydrophobicContact CE2-CB 3.62Å; Y639-L662 HydrophobicContact CE2-CD2 4.44Å; Y639-L662 WeakPolarHBondContact OH-CD2 3.45Å; Y639-A700 HydrophobicContact CD1-CB 3.91Å; Y639-A700 HydrophobicContact CE1-CB 4.04Å; Y639-P701 HydrophobicContact CD1-CB 4.34Å; Y639-P701 HydrophobicContact CD2-CB 4.08Å; Y639-P701 HydrophobicContact CE1-CB 4.09Å; Y639-P701 HydrophobicContact CE2-CB 3.86Å; Y639-P701 HydrophobicContact CG-CB 4.36Å; Y639-D704 WeakPolarHBondContact CE1-OD2 3.48Å; Y639-D704 PolarHBondContact OH-OD2 3.34Å
640S95.8Very high95.1Very high16 Ų1648.4 Ų48.411%0.11227%0.274CS..EExtended strand (participates in β ladder)trans-148.5171.9178.275.20000110N642S640-N642 PolarHBondContact O-N 3.38Å; S640-N642 PolarHBondContact OG-N 3.02Å
641F94Very high94.9Very high105 Ų10548.1 Ų48.146%0.46127%0.272SS..THydrogen-bonded Turntrans-69.1-15.9172.2-69.2-72.7000113.7G643 W680 A693 F694 L697F641-G643 PolarHBondContact O-N 3.3Å; F641-W680 HydrophobicContact CE2-CE3 4.47Å; F641-W680 AromaticContact CE2-CZ3 3.82Å; F641-W680 HydrophobicContact CE2-CZ3 3.82Å; F641-A693 HydrophobicContact CE1-CB 4.2Å; F641-F694 HydrophobicContact CE1-CB 4.46Å; F641-F694 HydrophobicContact CE2-CD2 4.36Å; F641-F694 HydrophobicContact CZ-CB 4Å; F641-F694 AromaticContact CZ-CD2 3.79Å; F641-F694 HydrophobicContact CZ-CD2 3.79Å; F641-F694 HydrophobicContact CZ-CG 4.37Å; F641-L697 HydrophobicContact CD1-CD2 4.34Å; F641-L697 HydrophobicContact CD2-CD2 3.93Å; F641-L697 HydrophobicContact CE1-CB 4.44Å; F641-L697 HydrophobicContact CE1-CD2 4.04Å; F641-L697 HydrophobicContact CE2-CD2 3.59Å; F641-L697 HydrophobicContact CG-CD2 4.3Å; F641-L697 HydrophobicContact CZ-CD2 3.68Å
642N89.2Confident94.5Very high142 Ų14247.7 Ų47.776%0.75927%0.27SS*.THydrogen-bonded Turntrans-90.65.8-167.6-63.7-31.1000114S640S640-N642 PolarHBondContact O-N 3.38Å; S640-N642 PolarHBondContact OG-N 3.02Å
643G89Confident94.1Very high38 Ų3849.9 Ų49.939%0.39229%0.286SS..EExtended strand (participates in β ladder)trans170.1176.7-179.800000113.6F641F641-G643 PolarHBondContact O-N 3.3Å
644P93.3Very high94Very high111 Ų11149 Ų4972%0.72128%0.284SS*.EExtended strand (participates in β ladder)trans-64.9167.9170.231.7-35.9000111E646P644-E646 PolarHBondContact O-N 3.49Å
645P94.3Very high93.8Very high62 Ų6248.9 Ų48.940%0.40328%0.282SS..EExtended strand (participates in β ladder)trans-54.4128.9174-23.233.9000111.2A638 Y639A638-P645 WeakPolarHBondContact O-CA 3.44Å; Y639-P645 HydrophobicContact CD1-CB 3.98Å; Y639-P645 HydrophobicContact CD1-CG 3.62Å; Y639-P645 HydrophobicContact CE1-CB 3.64Å; Y639-P645 HydrophobicContact CE1-CG 3.36Å; Y639-P645 HydrophobicContact CE2-CB 4.49Å
646E95.7Very high93.8Very high86 Ų8648.5 Ų48.540%0.40228%0.278SS..EExtended strand (participates in β ladder)trans-123.5139.5-178.564.9178.6179.300111.1F637 A638 P644 V648 R659F637-E646 CarbonylContact C-O 3.57Å; F637-E646 WeakPolarHBondContact CA-O 3.45Å; A638-E646 HydrophobicContact CB-CG 4.32Å; A638-E646 PolarHBondContact N-O 3.07Å; A638-E646 PolarHBondContact O-N 3.2Å; A638-E646 VanDerWaalsContact O-N 3.12Å; P644-E646 PolarHBondContact O-N 3.49Å; E646-V648 HydrophobicContact CG-CG1 4.14Å; E646-V648 PolarHBondContact O-N 3Å; E646-R659 IonicContact OE1-CZ 3.97Å; E646-R659 IonicContact OE1-NH1 3.97Å; E646-R659 PolarHBondContact OE1-NH1 3.03Å; E646-R659 IonicContact OE1-NH2 3.95Å
647P95.9Very high93.7Very high97 Ų9750.9 Ų50.963%0.6329%0.294SS*.EExtended strand (participates in β ladder)trans-68131.717028.4-32.7000109.8L636 F637L636-P647 WeakPolarHBondContact O-CA 3.45Å; F637-P647 HydrophobicContact CD1-CB 4.28Å; F637-P647 HydrophobicContact CE1-CB 4.05Å
648V95.5Very high93.5Very high30 Ų3050.7 Ų50.718%0.18230%0.297CS..EExtended strand (participates in β ladder)trans-119162178.1-65.90000110.7L636 A638 E646 L661L636-V648 HydrophobicContact CB-CG2 4.03Å; L636-V648 HydrophobicContact CD2-CG2 3.79Å; L636-V648 HydrophobicContact CG-CG2 3.7Å; L636-V648 WeakPolarHBondContact O-CG2 3.4Å; L636-V648 PolarHBondContact O-N 3.26Å; A638-V648 HydrophobicContact CB-CB 4.48Å; A638-V648 HydrophobicContact CB-CG1 3.54Å; A638-V648 HydrophobicContact CB-CG2 4.09Å; E646-V648 HydrophobicContact CG-CG1 4.14Å; E646-V648 PolarHBondContact O-N 3Å; V648-L661 HydrophobicContact CG2-CD2 4.33Å
649L92.6Very high93.4Very high116 Ų11653.2 Ų53.261%0.60731%0.306SS*.  trans-64.4139.1177-66.4174.6000110.3D651 S654L649-D651 HydrophobicContact CB-CB 4.05Å; L649-D651 PolarHBondContact O-N 3.17Å; L649-S654 WeakPolarHBondContact O-CB 3.46Å; L649-S654 PolarHBondContact O-OG 2.7Å
650L92.8Very high93.4Very high9 Ų952.9 Ų52.95%0.04730%0.304CS..SBendtrans-72.369.2173-166.774.6000110.2P634 L636 K734 V735 N736P634-L650 HydrophobicContact CB-CD1 4.07Å; P634-L650 HydrophobicContact CB-CD2 3.93Å; P634-L650 HydrophobicContact CG-CD2 4.07Å; L636-L650 HydrophobicContact CB-CD1 4.04Å; L636-L650 HydrophobicContact CD2-CD1 4.4Å; L650-K734 WeakPolarHBondContact CD2-O 3.26Å; L650-V735 HydrophobicContact CD1-CG1 4.33Å; L650-V735 HydrophobicContact CG-CG1 4.44Å; L650-N736 WeakPolarHBondContact O-CB 3.36Å; L650-N736 PolarHBondContact O-N 2.67Å
651D91.8Very high93.5Very high10 Ų1052.2 Ų52.25%0.05330%0.299CS..BIsolated β-bridgetrans-146.2148.5-166-169.8-76.8000110.6L649 S653 S654 N736 S738L649-D651 HydrophobicContact CB-CB 4.05Å; L649-D651 PolarHBondContact O-N 3.17Å; D651-S653 PolarHBondContact O-N 3.05Å; D651-S653 WeakPolarHBondContact OD1-CB 3.44Å; D651-S653 PolarHBondContact OD1-N 3.49Å; D651-S653 PolarHBondContact OD1-OG 3.33Å; D651-S654 WeakPolarHBondContact O-CB 3.33Å; D651-S654 PolarHBondContact O-N 3.06Å; D651-N736 HydrophobicContact CB-CB 4.3Å; D651-N736 PolarHBondContact OD2-ND2 3.3Å; D651-S738 VanDerWaalsContact CG-OG 3.27Å; D651-S738 WeakPolarHBondContact OD1-CB 3.3Å; D651-S738 PolarHBondContact OD1-OG 3.49Å; D651-S738 VanDerWaalsContact OD2-CB 3.27Å; D651-S738 WeakPolarHBondContact OD2-CB 3.39Å; D651-S738 PolarHBondContact OD2-OG 3.35Å
652T89.1Confident93.7Very high0 Ų047.3 Ų47.30%028%0.278CS..G310 helixtrans-56.1-29.2178.242.30000114.3S654 I655 V735 N736 S738 L739 A751 V753T652-S654 PolarHBondContact O-N 2.96Å; T652-I655 PolarHBondContact O-N 3.45Å; T652-V735 HydrophobicContact CG2-CG2 3.85Å; T652-N736 WeakPolarHBondContact CG2-O 3.2Å; T652-N736 PolarHBondContact N-O 3.16Å; T652-N736 VanDerWaalsContact N-O 3.1Å; T652-N736 PolarHBondContact OG1-O 2.85Å; T652-S738 PolarHBondContact OG1-N 3.33Å; T652-S738 PolarHBondContact OG1-OG 2.88Å; T652-L739 PolarHBondContact OG1-N 3.36Å; T652-A751 WeakPolarHBondContact CB-O 3.39Å; T652-V753 HydrophobicContact CG2-CB 4.1Å; T652-V753 HydrophobicContact CG2-CG2 3.26Å
653S89.5Confident94.1Very high50 Ų5040.6 Ų40.635%0.3524%0.242SC..G310 helixtrans-65.6-20.6176.555.50000113.9D651 I655D651-S653 PolarHBondContact O-N 3.05Å; D651-S653 WeakPolarHBondContact OD1-CB 3.44Å; D651-S653 PolarHBondContact OD1-N 3.49Å; D651-S653 PolarHBondContact OD1-OG 3.33Å; S653-I655 VanDerWaalsContact C-N 3.34Å
654S93Very high94.5Very high16 Ų1639.5 Ų39.511%0.11223%0.227CC..G310 helixtrans-83.4-10.8178.2-54.60000113L649 D651 T652 L656L649-S654 WeakPolarHBondContact O-CB 3.46Å; L649-S654 PolarHBondContact O-OG 2.7Å; D651-S654 WeakPolarHBondContact O-CB 3.33Å; D651-S654 PolarHBondContact O-N 3.06Å; T652-S654 PolarHBondContact O-N 2.96Å; S654-L656 PolarHBondContact O-N 3.2Å; S654-L656 VanDerWaalsContact O-N 3.12Å
655I93.7Very high94.6Very high5 Ų534.3 Ų34.33%0.02619%0.194CC..  trans-85.183.2179.2-51.7179.2000109.1T652 S653 L661 Y672 L731 L732 V735 A751T652-I655 PolarHBondContact O-N 3.45Å; S653-I655 VanDerWaalsContact C-N 3.34Å; I655-L661 HydrophobicContact CB-CD1 4.46Å; I655-L661 HydrophobicContact CG1-CD1 4.06Å; I655-Y672 HydrophobicContact CG2-CD1 4.42Å; I655-Y672 HydrophobicContact CG2-CE1 3.57Å; I655-L731 HydrophobicContact CD1-CD2 4.22Å; I655-L731 HydrophobicContact CD1-CG 4.42Å; I655-L732 HydrophobicContact CD1-CD2 3.73Å; I655-V735 HydrophobicContact CD1-CG1 4.39Å; I655-V735 HydrophobicContact CD1-CG2 4.41Å; I655-A751 HydrophobicContact CB-CB 4.14Å; I655-A751 HydrophobicContact CG2-CB 3.92Å
656L93.9Very high94.8Very high43 Ų4331.5 Ų31.523%0.22518%0.175CC..  trans-100.5150.8-178.5-62.8178.6000112.1S654 D658 R659S654-L656 PolarHBondContact O-N 3.2Å; S654-L656 VanDerWaalsContact O-N 3.12Å; L656-D658 VanDerWaalsContact C-N 3.33Å; L656-D658 PolarHBondContact O-N 3.08Å; L656-R659 HydrophobicContact CB-CG 4.14Å
657P94.8Very high94.8Very high54 Ų5428.1 Ų28.135%0.35116%0.159SC..THydrogen-bonded Turntrans-70-26-175.227.7-35.7000114.1G674 A675 T676 I677P657-G674 CarbonylContact O-C 3.56Å; P657-G674 WeakPolarHBondContact O-CA 3.33Å; P657-A675 HydrophobicContact CB-CB 4.03Å; P657-A675 PolarHBondContact O-N 2.98Å; P657-T676 WeakPolarHBondContact O-CA 3.23Å; P657-T676 VanDerWaalsContact O-CB 3.27Å; P657-T676 WeakPolarHBondContact O-CB 3.4Å; P657-T676 PolarHBondContact O-N 3.07Å; P657-I677 PolarHBondContact O-N 3.44Å
658D94.7Very high94.7Very high65 Ų6524.1 Ų24.135%0.34813%0.132SC..THydrogen-bonded Turntrans-99.612.3-174.367.3-35.1000113.9L656L656-D658 VanDerWaalsContact C-N 3.33Å; L656-D658 PolarHBondContact O-N 3.08Å
659R95.1Very high94.8Very high55 Ų5522.7 Ų22.721%0.20812%0.123CC..  trans-122.3155.6-179.4-58.3-168.7-179.1-156.1-0.4112.1Y639 E646 L656 G674Y639-R659 WeakPolarHBondContact O-CA 3.47Å; E646-R659 IonicContact OE1-CZ 3.97Å; E646-R659 IonicContact OE1-NH1 3.97Å; E646-R659 PolarHBondContact OE1-NH1 3.03Å; E646-R659 IonicContact OE1-NH2 3.95Å; L656-R659 HydrophobicContact CB-CG 4.14Å; R659-G674 WeakPolarHBondContact O-CA 3.44Å; R659-G674 PolarHBondContact O-N 2.89Å
660I98Very high95Very high0 Ų017.2 Ų17.20%010%0.095CC..EExtended strand (participates in β ladder)trans-104.2137.8163.1-52.7170000107.5A638 Y639 I671 Y672 I677 L697 L698 P701A638-I660 WeakPolarHBondContact CA-O 3.49Å; Y639-I660 PolarHBondContact N-O 2.92Å; Y639-I660 PolarHBondContact O-N 3.42Å; I660-I671 HydrophobicContact CG2-CG2 3.67Å; I660-Y672 CarbonylContact C-O 3.1Å; I660-Y672 WeakPolarHBondContact CA-O 3.34Å; I660-Y672 WeakPolarHBondContact CG2-O 3.43Å; I660-I677 HydrophobicContact CD1-CG2 3.95Å; I660-I677 HydrophobicContact CG1-CB 4.39Å; I660-I677 HydrophobicContact CG1-CG1 4.22Å; I660-I677 HydrophobicContact CG1-CG2 3.68Å; I660-L697 HydrophobicContact CD1-CG 3.94Å; I660-L697 WeakPolarHBondContact CD1-O 3.4Å; I660-L698 HydrophobicContact CD1-CD2 3.84Å; I660-P701 HydrophobicContact CD1-CG 4.49Å; I660-P701 HydrophobicContact CG2-CB 4.45Å; I660-P701 HydrophobicContact CG2-CG 3.93Å
661L98.1Very high95.3Very high2 Ų216.9 Ų16.91%0.019%0.093CC..EExtended strand (participates in β ladder)trans-111.2137.4176.2-58.8175.5000110.5L636 F637 A638 V648 I655 I671 Y672 L731L636-L661 HydrophobicContact CD1-CB 3.99Å; L636-L661 HydrophobicContact CD1-CD1 4.4Å; L636-L661 HydrophobicContact CD2-CD1 4.29Å; L636-L661 HydrophobicContact CG-CD2 4.43Å; F637-L661 CarbonylContact O-C 3.56Å; F637-L661 VanDerWaalsContact O-CA 3.26Å; F637-L661 WeakPolarHBondContact O-CA 3.49Å; A638-L661 HydrophobicContact CB-CD2 3.85Å; V648-L661 HydrophobicContact CG2-CD2 4.33Å; I655-L661 HydrophobicContact CB-CD1 4.46Å; I655-L661 HydrophobicContact CG1-CD1 4.06Å; L661-I671 CarbonylContact O-C 3.56Å; L661-I671 WeakPolarHBondContact O-CA 3.42Å; L661-Y672 HydrophobicContact CB-CD1 4.49Å; L661-Y672 HydrophobicContact CD1-CD1 4.07Å; L661-Y672 HydrophobicContact CG-CD1 4.34Å; L661-Y672 PolarHBondContact N-O 3.38Å; L661-Y672 PolarHBondContact O-N 3.05Å; L661-L731 HydrophobicContact CD1-CD2 4.12Å
662L98.1Very high95.6Very high3 Ų316.9 Ų16.92%0.0169%0.092CC..EExtended strand (participates in β ladder)trans-110.9111166177.864.5000108.2L636 F637 Y639 V669 L670 I671 P701 D704 A705 I708L636-L662 WeakPolarHBondContact CA-O 3.17Å; F637-L662 HydrophobicContact CB-CB 4.36Å; F637-L662 PolarHBondContact N-O 3.08Å; F637-L662 PolarHBondContact O-N 3.2Å; Y639-L662 HydrophobicContact CE2-CB 3.62Å; Y639-L662 HydrophobicContact CE2-CD2 4.44Å; Y639-L662 WeakPolarHBondContact OH-CD2 3.45Å; L662-V669 HydrophobicContact CD1-CG1 3.77Å; L662-L670 CarbonylContact C-O 3.52Å; L662-L670 WeakPolarHBondContact CA-O 3.46Å; L662-I671 HydrophobicContact CD1-CG1 3.78Å; L662-P701 HydrophobicContact CB-CB 4.46Å; L662-D704 HydrophobicContact CD2-CB 3.82Å; L662-A705 HydrophobicContact CD1-CB 4Å; L662-I708 HydrophobicContact CD2-CD1 4.37Å
663M98.1Very high96Very high1 Ų117 Ų171%0.0059%0.093CC..EExtended strand (participates in β ladder)trans-98.9132.2173.1-173.5-174.872.200109.9P634 V635 L636 D665 L670 L731 K734P634-M663 HydrophobicContact CB-CG 4.28Å; V635-M663 WeakPolarHBondContact O-CA 3.46Å; L636-M663 HydrophobicContact CD1-CB 3.69Å; L636-M663 HydrophobicContact CD1-CG 4.21Å; M663-D665 HydrophobicContact CE-CB 4.39Å; M663-L670 HydrophobicContact CB-CB 4.33Å; M663-L670 HydrophobicContact CE-CB 4.13Å; M663-L670 HydrophobicContact CE-CD1 4.3Å; M663-L670 PolarHBondContact N-O 3.38Å; M663-L670 PolarHBondContact O-N 3.32Å; M663-L731 HydrophobicContact CB-CD1 4.17Å; M663-L731 HydrophobicContact CG-CD1 4.29Å; M663-L731 HydrophobicContact SD-CB 4.46Å; M663-L731 HydrophobicContact SD-CD1 3.59Å; M663-L731 VanDerWaalsContact SD-CD1 3.59Å; M663-K734 HydrophobicContact CE-CG 4.33Å; M663-K734 HydrophobicContact SD-CB 4.03Å; M663-K734 HydrophobicContact SD-CG 4.13Å
664D97.4Very high96.4Very high15 Ų1514.6 Ų14.68%0.088%0.076CC..EExtended strand (participates in β ladder)trans-118.8109.9169.4-178.49.7000109.6T630 P634 V635 F666 I708 R712T630-D664 WeakPolarHBondContact CG2-O 3.28Å; P634-D664 CarbonylContact C-O 3.52Å; P634-D664 VanDerWaalsContact CA-O 3.32Å; P634-D664 WeakPolarHBondContact CA-O 3.36Å; P634-D664 WeakPolarHBondContact CB-O 3.39Å; V635-D664 PolarHBondContact N-O 2.86Å; V635-D664 PolarHBondContact O-N 3.3Å; D664-F666 PolarHBondContact OD1-N 2.94Å; D664-I708 HydrophobicContact CB-CD1 4.46Å; D664-R712 VanDerWaalsContact CG-NH2 3.34Å; D664-R712 IonicContact OD1-CZ 2.69Å; D664-R712 VanDerWaalsContact OD1-CZ 3.31Å; D664-R712 IonicContact OD1-NH1 2.72Å; D664-R712 PolarHBondContact OD1-NH1 3.37Å; D664-R712 IonicContact OD1-NH2 3.82Å; D664-R712 PolarHBondContact OD1-NH2 3.47Å; D664-R712 IonicContact OD2-CZ 3.47Å; D664-R712 IonicContact OD2-NH1 3.36Å; D664-R712 PolarHBondContact OD2-NH1 2.92Å; D664-R712 IonicContact OD2-NH2 2.74Å; D664-R712 PolarHBondContact OD2-NH2 3.03Å
665D95.7Very high96.5Very high2 Ų214.9 Ų14.91%0.0118%0.079CC..  trans-108.319.6175.483.4-9.2000113P634 M663 F667 H668 K734P634-D665 HydrophobicContact CB-CB 3.74Å; P634-D665 HydrophobicContact CG-CB 3.54Å; M663-D665 HydrophobicContact CE-CB 4.39Å; D665-F667 WeakPolarHBondContact O-CD2 3.47Å; D665-F667 PolarHBondContact O-N 3.17Å; D665-F667 PolarHBondContact OD1-N 2.96Å; D665-H668 PolarHBondContact N-O 2.69Å; D665-H668 VanDerWaalsContact N-O 3.16Å; D665-H668 WeakPolarHBondContact OD1-CA 3.37Å; D665-H668 VanDerWaalsContact OD1-CB 3.28Å; D665-H668 WeakPolarHBondContact OD1-CB 3.47Å; D665-H668 IonicContact OD1-CG 3.69Å; D665-H668 PolarHBondContact OD1-N 3.49Å; D665-H668 IonicContact OD1-ND1 2.7Å; D665-H668 PolarHBondContact OD1-ND1 3.05Å; D665-H668 IonicContact OD2-ND1 3.06Å; D665-H668 PolarHBondContact OD2-ND1 3.47Å; D665-H668 VanDerWaalsContact OD2-ND1 3.13Å; D665-K734 VanDerWaalsContact OD2-CE 3.23Å; D665-K734 WeakPolarHBondContact OD2-CE 3.33Å; D665-K734 IonicContact OD2-NZ 2.68Å
666F96.9Very high96.6Very high2 Ų216.5 Ų16.51%0.0099%0.089CC..SBendtrans68.5-47.7-168-174.2-79.4000114.8V619 E623 E627 T630 M631 D664 R712 S716V619-F666 HydrophobicContact CG1-CD1 4.08Å; V619-F666 HydrophobicContact CG1-CE1 3.32Å; V619-F666 HydrophobicContact CG1-CZ 3.69Å; E623-F666 HydrophobicContact CG-CE2 4.01Å; E623-F666 HydrophobicContact CG-CZ 3.88Å; E627-F666 HydrophobicContact CB-CD2 3.85Å; E627-F666 HydrophobicContact CB-CE2 3.76Å; E627-F666 HydrophobicContact CG-CD2 4.31Å; E627-F666 HydrophobicContact CG-CE2 3.98Å; E627-F666 WeakPolarHBondContact OE2-CD2 3.13Å; E627-F666 WeakPolarHBondContact OE2-CE2 3.26Å; T630-F666 HydrophobicContact CG2-CB 4.48Å; M631-F666 HydrophobicContact CB-CB 4.45Å; M631-F666 HydrophobicContact CE-CB 4.43Å; M631-F666 HydrophobicContact CE-CD1 3.73Å; M631-F666 HydrophobicContact CE-CD2 3.47Å; M631-F666 VanDerWaalsContact CE-CD2 3.47Å; M631-F666 HydrophobicContact CE-CE1 3.81Å; M631-F666 HydrophobicContact CE-CE2 3.51Å; M631-F666 HydrophobicContact CE-CG 3.59Å; M631-F666 HydrophobicContact CE-CZ 3.68Å; M631-F666 HydrophobicContact CG-CB 3.43Å; M631-F666 VanDerWaalsContact CG-CB 3.43Å; M631-F666 HydrophobicContact CG-CD1 4.05Å; M631-F666 HydrophobicContact CG-CD2 4.19Å; M631-F666 HydrophobicContact CG-CG 3.62Å; M631-F666 HydrophobicContact SD-CD1 4.38Å; M631-F666 HydrophobicContact SD-CG 4.35Å; D664-F666 PolarHBondContact OD1-N 2.94Å; F666-R712 HydrophobicContact CD2-CG 4.33Å; F666-R712 HydrophobicContact CE2-CG 3.79Å; F666-R712 HydrophobicContact CZ-CG 3.95Å; F666-R712 WeakPolarHBondContact O-CD 3.26Å; F666-R712 PolarHBondContact O-NH1 2.95Å; F666-S716 WeakPolarHBondContact O-CB 3.4Å; F666-S716 PolarHBondContact O-OG 3.02Å
667F95.6Very high96.8Very high16 Ų1614.4 Ų14.47%0.078%0.078CC..SBendtrans-83.3-24.6-175.9-57.4-73.7000112.7Q601 F602 F615 Y616 V619 M631 D665 S716 R717Q601-F667 VanDerWaalsContact NE2-CD2 3.25Å; F602-F667 HydrophobicContact CE1-CE2 4.09Å; F602-F667 HydrophobicContact CE1-CZ 4.01Å; F602-F667 AromaticContact CZ-CE2 3.72Å; F602-F667 HydrophobicContact CZ-CE2 3.72Å; F602-F667 HydrophobicContact CZ-CZ 4Å; F615-F667 AromaticContact CE1-CD1 3.88Å; F615-F667 HydrophobicContact CE1-CD1 3.88Å; F615-F667 HydrophobicContact CE1-CE1 4.08Å; Y616-F667 AromaticContact CD1-CD1 3.65Å; Y616-F667 HydrophobicContact CD1-CD1 3.65Å; Y616-F667 HydrophobicContact CD1-CD2 4.12Å; Y616-F667 AromaticContact CD1-CE1 3.52Å; Y616-F667 HydrophobicContact CD1-CE1 3.52Å; Y616-F667 AromaticContact CD1-CE2 4Å; Y616-F667 HydrophobicContact CD1-CE2 4Å; Y616-F667 AromaticContact CD1-CG 3.95Å; Y616-F667 HydrophobicContact CD1-CG 3.95Å; Y616-F667 AromaticContact CD1-CZ 3.7Å; Y616-F667 HydrophobicContact CD1-CZ 3.7Å; Y616-F667 HydrophobicContact CE1-CB 4.36Å; Y616-F667 AromaticContact CE1-CD1 3.83Å; Y616-F667 HydrophobicContact CE1-CD1 3.83Å; Y616-F667 HydrophobicContact CE1-CD2 4.28Å; Y616-F667 HydrophobicContact CE1-CE1 4.19Å; Y616-F667 AromaticContact CE1-CG 3.87Å; Y616-F667 HydrophobicContact CE1-CG 3.87Å; Y616-F667 HydrophobicContact CG-CE1 4.5Å; Y616-F667 HydrophobicContact CG-CZ 4.33Å; V619-F667 HydrophobicContact CB-CE1 3.99Å; V619-F667 HydrophobicContact CB-CZ 4.35Å; V619-F667 HydrophobicContact CG1-CE1 3.92Å; V619-F667 HydrophobicContact CG1-CZ 4.28Å; V619-F667 HydrophobicContact CG2-CE1 4.22Å; M631-F667 HydrophobicContact CB-CE2 4.48Å; M631-F667 HydrophobicContact CG-CE2 3.87Å; M631-F667 HydrophobicContact CG-CZ 4.06Å; M631-F667 HydrophobicContact SD-CE2 4.32Å; M631-F667 HydrophobicContact SD-CZ 3.93Å; D665-F667 WeakPolarHBondContact O-CD2 3.47Å; D665-F667 PolarHBondContact O-N 3.17Å; D665-F667 PolarHBondContact OD1-N 2.96Å; F667-S716 CarbonylContact O-C 3.59Å; F667-S716 WeakPolarHBondContact O-CA 3.4Å; F667-R717 PolarHBondContact O-N 3.06Å
668H95.2Very high96.8Very high13 Ų1312.2 Ų12.26%0.066%0.064CC..EExtended strand (participates in β ladder)trans-131.4137.5179.6-51.288.7000109.4D665 R717 F730D665-H668 PolarHBondContact N-O 2.69Å; D665-H668 VanDerWaalsContact N-O 3.16Å; D665-H668 WeakPolarHBondContact OD1-CA 3.37Å; D665-H668 VanDerWaalsContact OD1-CB 3.28Å; D665-H668 WeakPolarHBondContact OD1-CB 3.47Å; D665-H668 IonicContact OD1-CG 3.69Å; D665-H668 PolarHBondContact OD1-N 3.49Å; D665-H668 IonicContact OD1-ND1 2.7Å; D665-H668 PolarHBondContact OD1-ND1 3.05Å; D665-H668 IonicContact OD2-ND1 3.06Å; D665-H668 PolarHBondContact OD2-ND1 3.47Å; D665-H668 VanDerWaalsContact OD2-ND1 3.13Å; H668-R717 CarbonylContact C-O 3.57Å; H668-R717 VanDerWaalsContact CA-O 3.23Å; H668-R717 WeakPolarHBondContact CA-O 3.48Å; H668-F730 AromaticContact NE2-CE1 3.82Å
669V96.8Very high96.9Very high0 Ų014.3 Ų14.30%07%0.072CC..EExtended strand (participates in β ladder)trans-112.2107.1162.7177.70000105.8L662 A705 I708 L709 R717 Y718 V719L662-V669 HydrophobicContact CD1-CG1 3.77Å; V669-A705 HydrophobicContact CG1-CB 3.53Å; V669-I708 HydrophobicContact CG2-CB 4.48Å; V669-I708 HydrophobicContact CG2-CG2 3.86Å; V669-L709 HydrophobicContact CB-CD2 4.23Å; V669-L709 HydrophobicContact CB-CG 4.41Å; V669-L709 HydrophobicContact CG2-CD2 3.91Å; V669-L709 HydrophobicContact CG2-CG 4.23Å; V669-R717 PolarHBondContact N-O 3Å; V669-Y718 WeakPolarHBondContact O-CA 3.38Å; V669-V719 PolarHBondContact O-N 3.14Å
670L97.7Very high97Very high1 Ų115.6 Ų15.61%0.0058%0.077CC..EExtended strand (participates in β ladder)trans-115.5123.9-167.9-176.7154.2000111.5L662 M663 V719 T721 F730 L731L662-L670 CarbonylContact C-O 3.52Å; L662-L670 WeakPolarHBondContact CA-O 3.46Å; M663-L670 HydrophobicContact CB-CB 4.33Å; M663-L670 HydrophobicContact CE-CB 4.13Å; M663-L670 HydrophobicContact CE-CD1 4.3Å; M663-L670 PolarHBondContact N-O 3.38Å; M663-L670 PolarHBondContact O-N 3.32Å; L670-V719 CarbonylContact C-O 3.54Å; L670-V719 VanDerWaalsContact CA-O 3.23Å; L670-V719 WeakPolarHBondContact CA-O 2.9Å; L670-V719 HydrophobicContact CB-CB 4.19Å; L670-V719 HydrophobicContact CD1-CB 4.13Å; L670-V719 HydrophobicContact CD1-CG1 3.85Å; L670-V719 HydrophobicContact CG-CB 4.04Å; L670-V719 HydrophobicContact CG-CG1 4.03Å; L670-T721 HydrophobicContact CD1-CG2 4.46Å; L670-T721 HydrophobicContact CD2-CG2 4.12Å; L670-T721 HydrophobicContact CG-CG2 4.4Å; L670-F730 HydrophobicContact CD1-CB 3.64Å; L670-L731 HydrophobicContact CD1-CB 4.39Å; L670-L731 HydrophobicContact CD2-CB 4.09Å
671I98.2Very high96.9Very high1 Ų119.5 Ų19.51%0.0059%0.092CC..EExtended strand (participates in β ladder)trans-100.5123.7170.3-60.8179000108.8I660 L661 L662 P701 I702 A705 Y718 V719 E720 T721I660-I671 HydrophobicContact CG2-CG2 3.67Å; L661-I671 CarbonylContact O-C 3.56Å; L661-I671 WeakPolarHBondContact O-CA 3.42Å; L662-I671 HydrophobicContact CD1-CG1 3.78Å; I671-P701 HydrophobicContact CD1-CB 4.01Å; I671-P701 HydrophobicContact CD1-CG 4.41Å; I671-P701 HydrophobicContact CG1-CB 4.3Å; I671-P701 HydrophobicContact CG2-CB 4.43Å; I671-P701 HydrophobicContact CG2-CG 4.37Å; I671-I702 HydrophobicContact CD1-CB 4.42Å; I671-I702 HydrophobicContact CD1-CG1 3.73Å; I671-A705 HydrophobicContact CD1-CB 4.33Å; I671-Y718 HydrophobicContact CD1-CE2 4.02Å; I671-Y718 WeakPolarHBondContact CD1-OH 3.38Å; I671-Y718 HydrophobicContact CG1-CE2 4.46Å; I671-V719 PolarHBondContact N-O 3.2Å; I671-E720 HydrophobicContact CB-CG 4.38Å; I671-T721 PolarHBondContact O-N 3.29Å
672Y98.3Very high96.7Very high10 Ų1024.8 Ų24.84%0.03912%0.12CC..EExtended strand (participates in β ladder)trans-116.9121.5177.1171.3-89.3000110.4I655 I660 L661 T721 E722 H723 A728 L731I655-Y672 HydrophobicContact CG2-CD1 4.42Å; I655-Y672 HydrophobicContact CG2-CE1 3.57Å; I660-Y672 CarbonylContact C-O 3.1Å; I660-Y672 WeakPolarHBondContact CA-O 3.34Å; I660-Y672 WeakPolarHBondContact CG2-O 3.43Å; L661-Y672 HydrophobicContact CB-CD1 4.49Å; L661-Y672 HydrophobicContact CD1-CD1 4.07Å; L661-Y672 HydrophobicContact CG-CD1 4.34Å; L661-Y672 PolarHBondContact N-O 3.38Å; L661-Y672 PolarHBondContact O-N 3.05Å; Y672-T721 WeakPolarHBondContact CA-O 3.22Å; Y672-T721 HydrophobicContact CD2-CG2 4.08Å; Y672-E722 VanDerWaalsContact CE2-C 3.5Å; Y672-H723 WeakPolarHBondContact OH-CA 3.32Å; Y672-H723 PolarHBondContact OH-ND1 3Å; Y672-A728 HydrophobicContact CD2-CB 4.19Å; Y672-A728 HydrophobicContact CE2-CB 4.11Å; Y672-L731 HydrophobicContact CD1-CD2 4.2Å; Y672-L731 HydrophobicContact CD2-CD2 4.04Å; Y672-L731 HydrophobicContact CG-CD2 3.76Å
673H97.8Very high96.6Very high3 Ų330.2 Ų30.21%0.01415%0.147CC..EExtended strand (participates in β ladder)trans-90.6120.5173.5-56.489.9000110.5I677 A678 E720 T721 E722 H723H673-I677 HydrophobicContact CB-CG2 4.21Å; H673-A678 HydrophobicContact CB-CB 4.24Å; H673-E720 IonicContact CE1-OE1 3.59Å; H673-T721 PolarHBondContact N-O 2.79Å; H673-T721 PolarHBondContact ND1-O 3.1Å; H673-E722 HydrophobicContact CB-CB 4Å; H673-E722 CarbonylContact O-C 3.58Å; H673-E722 WeakPolarHBondContact O-CA 3.36Å; H673-H723 PolarHBondContact O-N 3.42Å
674G96.5Very high96.5Very high0 Ų031.1 Ų31.10%016%0.156CC..  trans-58.6159.5171.800000112.5P657 R659 T676 I677 A678P657-G674 CarbonylContact O-C 3.56Å; P657-G674 WeakPolarHBondContact O-CA 3.33Å; R659-G674 WeakPolarHBondContact O-CA 3.44Å; R659-G674 PolarHBondContact O-N 2.89Å; G674-T676 VanDerWaalsContact C-N 3.32Å; G674-T676 PolarHBondContact O-N 3.29Å; G674-I677 PolarHBondContact O-N 3.35Å; G674-I677 VanDerWaalsContact O-N 3.07Å; G674-A678 WeakPolarHBondContact O-CB 3.39Å; G674-A678 PolarHBondContact O-N 3.28Å
675A95.9Very high96.4Very high21 Ų2134.4 Ų34.417%0.17417%0.168CC..Hα-helixtrans-53-44-171.600000113.9P657 Q679 H723P657-A675 HydrophobicContact CB-CB 4.03Å; P657-A675 PolarHBondContact O-N 2.98Å; A675-Q679 VanDerWaalsContact O-CG 3.26Å; A675-Q679 WeakPolarHBondContact O-CG 3.43Å; A675-Q679 PolarHBondContact O-N 2.91Å; A675-Q679 VanDerWaalsContact O-N 3.08Å; A675-H723 HydrophobicContact CB-CB 3.96Å
676T96.1Very high96.4Very high39 Ų3936.2 Ų36.224%0.23918%0.177CC..Hα-helixtrans-69.7-42.5178.6-56.20000111.5P657 G674 Q679 W680P657-T676 WeakPolarHBondContact O-CA 3.23Å; P657-T676 VanDerWaalsContact O-CB 3.27Å; P657-T676 WeakPolarHBondContact O-CB 3.4Å; P657-T676 PolarHBondContact O-N 3.07Å; G674-T676 VanDerWaalsContact C-N 3.32Å; G674-T676 PolarHBondContact O-N 3.29Å; T676-Q679 PolarHBondContact O-N 3.37Å; T676-W680 HydrophobicContact CG2-CD2 3.94Å; T676-W680 VanDerWaalsContact CG2-CE2 3.5Å; T676-W680 HydrophobicContact CG2-CE3 4.15Å; T676-W680 HydrophobicContact CG2-CH2 3.61Å; T676-W680 HydrophobicContact CG2-CZ2 3.36Å; T676-W680 HydrophobicContact CG2-CZ3 3.97Å; T676-W680 PolarHBondContact O-N 3.45Å
677I97Very high96.4Very high0 Ų042.4 Ų42.40%021%0.21CC..Hα-helixtrans-62.4-44.7177-59.9-62.5000111.3P657 I660 H673 G674 Q679 W680 R681 F694 L697 L698P657-I677 PolarHBondContact O-N 3.44Å; I660-I677 HydrophobicContact CD1-CG2 3.95Å; I660-I677 HydrophobicContact CG1-CB 4.39Å; I660-I677 HydrophobicContact CG1-CG1 4.22Å; I660-I677 HydrophobicContact CG1-CG2 3.68Å; H673-I677 HydrophobicContact CB-CG2 4.21Å; G674-I677 PolarHBondContact O-N 3.35Å; G674-I677 VanDerWaalsContact O-N 3.07Å; I677-Q679 VanDerWaalsContact C-N 3.34Å; I677-Q679 PolarHBondContact O-N 3.36Å; I677-W680 HydrophobicContact CD1-CE3 3.91Å; I677-W680 HydrophobicContact CD1-CZ3 3.88Å; I677-W680 PolarHBondContact O-N 3.18Å; I677-R681 WeakPolarHBondContact O-CB 3.44Å; I677-R681 PolarHBondContact O-N 2.92Å; I677-F694 HydrophobicContact CD1-CE2 4.15Å; I677-F694 HydrophobicContact CG2-CE2 4.03Å; I677-F694 HydrophobicContact CG2-CZ 4.32Å; I677-L697 HydrophobicContact CD1-CD2 3.98Å; I677-L698 HydrophobicContact CG2-CD2 3.99Å
678A96Very high96.3Very high7 Ų744.7 Ų44.76%0.05822%0.223CC..Hα-helixtrans-60.3-44.1177.300000111.3H673 G674 R681 N682 E722H673-A678 HydrophobicContact CB-CB 4.24Å; G674-A678 WeakPolarHBondContact O-CB 3.39Å; G674-A678 PolarHBondContact O-N 3.28Å; A678-R681 PolarHBondContact O-N 3.42Å; A678-N682 WeakPolarHBondContact O-CB 3.39Å; A678-N682 VanDerWaalsContact O-CG 3.23Å; A678-N682 PolarHBondContact O-N 2.98Å; A678-N682 PolarHBondContact O-ND2 3.4Å; A678-E722 HydrophobicContact CB-CB 3.92Å
679Q96.3Very high96.3Very high110 Ų11049.5 Ų49.551%0.51426%0.255SS..Hα-helixtrans-58.7-49.4174.3-74.7173.215.600112.1A675 T676 I677 R681 N682 M683A675-Q679 VanDerWaalsContact O-CG 3.26Å; A675-Q679 WeakPolarHBondContact O-CG 3.43Å; A675-Q679 PolarHBondContact O-N 2.91Å; A675-Q679 VanDerWaalsContact O-N 3.08Å; T676-Q679 PolarHBondContact O-N 3.37Å; I677-Q679 VanDerWaalsContact C-N 3.34Å; I677-Q679 PolarHBondContact O-N 3.36Å; Q679-R681 VanDerWaalsContact C-N 3.34Å; Q679-R681 PolarHBondContact O-N 2.94Å; Q679-N682 PolarHBondContact O-N 2.95Å; Q679-M683 WeakPolarHBondContact O-CG 3.47Å; Q679-M683 PolarHBondContact O-N 3.16Å
680W96.4Very high96.2Very high82 Ų8257 Ų5731%0.31129%0.29SS..Hα-helixtrans-62.9-38.4178.7-67.7-20.7000113.1F641 T676 I677 M683 G684 Y685 F694F641-W680 HydrophobicContact CE2-CE3 4.47Å; F641-W680 AromaticContact CE2-CZ3 3.82Å; F641-W680 HydrophobicContact CE2-CZ3 3.82Å; T676-W680 HydrophobicContact CG2-CD2 3.94Å; T676-W680 VanDerWaalsContact CG2-CE2 3.5Å; T676-W680 HydrophobicContact CG2-CE3 4.15Å; T676-W680 HydrophobicContact CG2-CH2 3.61Å; T676-W680 HydrophobicContact CG2-CZ2 3.36Å; T676-W680 HydrophobicContact CG2-CZ3 3.97Å; T676-W680 PolarHBondContact O-N 3.45Å; I677-W680 HydrophobicContact CD1-CE3 3.91Å; I677-W680 HydrophobicContact CD1-CZ3 3.88Å; I677-W680 PolarHBondContact O-N 3.18Å; W680-M683 PolarHBondContact O-N 3.12Å; W680-G684 PolarHBondContact O-N 3.49Å; W680-Y685 HydrophobicContact CB-CD2 3.9Å; W680-Y685 HydrophobicContact CB-CE2 4.47Å; W680-Y685 AromaticContact CD1-CD2 3.91Å; W680-Y685 AromaticContact CD1-CE2 3.63Å; W680-Y685 AromaticContact CG-CD2 3.95Å; W680-Y685 HydrophobicContact CG-CD2 3.95Å; W680-Y685 HydrophobicContact CG-CE2 4.14Å; W680-Y685 PolarHBondContact O-N 3.28Å; W680-F694 HydrophobicContact CB-CE1 3.78Å; W680-F694 HydrophobicContact CB-CE2 4.05Å; W680-F694 HydrophobicContact CB-CZ 3.45Å; W680-F694 VanDerWaalsContact CB-CZ 3.45Å; W680-F694 HydrophobicContact CE3-CD2 4.34Å; W680-F694 AromaticContact CE3-CE2 3.96Å; W680-F694 HydrophobicContact CE3-CE2 3.96Å
681R96.1Very high96Very high81 Ų8161.7 Ų61.731%0.30631%0.308SS..Hα-helixtrans-62.9-43.4175.2-175.5-172.7179.2-151.211.3111.5I677 A678 Q679 M683 G684 Q686 F694 L698 E720I677-R681 WeakPolarHBondContact O-CB 3.44Å; I677-R681 PolarHBondContact O-N 2.92Å; A678-R681 PolarHBondContact O-N 3.42Å; Q679-R681 VanDerWaalsContact C-N 3.34Å; Q679-R681 PolarHBondContact O-N 2.94Å; R681-M683 VanDerWaalsContact C-N 3.32Å; R681-G684 PolarHBondContact O-N 3.34Å; R681-Q686 PolarHBondContact O-NE2 3.32Å; R681-Q686 PolarHBondContact O-OE1 2.97Å; R681-F694 HydrophobicContact CB-CZ 4.25Å; R681-L698 HydrophobicContact CB-CD1 4.5Å; R681-L698 HydrophobicContact CG-CD1 4.18Å; R681-E720 IonicContact CZ-OE1 2.85Å; R681-E720 IonicContact NH1-OE1 3.7Å; R681-E720 PolarHBondContact NH1-OE1 2.75Å; R681-E720 IonicContact NH2-OE1 3.83Å; R681-E720 PolarHBondContact NH2-OE1 2.83Å
682N94.9Very high95.8Very high114 Ų11464 Ų6461%0.6133%0.328SS*.Hα-helixtrans-68.7-30.1178.4-71.6-22.1000112.5A678 Q679 G684A678-N682 WeakPolarHBondContact O-CB 3.39Å; A678-N682 VanDerWaalsContact O-CG 3.23Å; A678-N682 PolarHBondContact O-N 2.98Å; A678-N682 PolarHBondContact O-ND2 3.4Å; Q679-N682 PolarHBondContact O-N 2.95Å; N682-G684 PolarHBondContact O-N 3.49Å
683M96.3Very high95.7Very high116 Ų11666.2 Ų66.257%0.57135%0.348SS*.THydrogen-bonded Turntrans-73.1-10.9170.7-68.4179-170.700113.4Q679 W680 R681 Y685Q679-M683 WeakPolarHBondContact O-CG 3.47Å; Q679-M683 PolarHBondContact O-N 3.16Å; W680-M683 PolarHBondContact O-N 3.12Å; R681-M683 VanDerWaalsContact C-N 3.32Å; M683-Y685 HydrophobicContact CB-CD1 4.17Å; M683-Y685 HydrophobicContact CB-CE1 4.05Å; M683-Y685 HydrophobicContact SD-CE1 4.49Å; M683-Y685 HydrophobicContact SD-CE2 4.39Å
684G96Very high95.6Very high20 Ų2066.4 Ų66.421%0.20635%0.349CS..THydrogen-bonded Turntrans78.919.917500000114.8W680 R681 N682 Q686 N687W680-G684 PolarHBondContact O-N 3.49Å; R681-G684 PolarHBondContact O-N 3.34Å; N682-G684 PolarHBondContact O-N 3.49Å; G684-Q686 VanDerWaalsContact C-OE1 3.23Å; G684-Q686 PolarHBondContact O-N 3.19Å; G684-Q686 VanDerWaalsContact O-N 3.17Å; G684-N687 WeakPolarHBondContact O-CB 3.48Å; G684-N687 PolarHBondContact O-N 3.22Å; G684-N687 PolarHBondContact O-ND2 2.86Å
685Y95.7Very high95.6Very high85 Ų8571.1 Ų71.133%0.33337%0.37SS..G310 helixtrans-56.2-32.3-179.2-72.4-11.1000113.2W680 M683 N687 D688 Y691W680-Y685 HydrophobicContact CB-CD2 3.9Å; W680-Y685 HydrophobicContact CB-CE2 4.47Å; W680-Y685 AromaticContact CD1-CD2 3.91Å; W680-Y685 AromaticContact CD1-CE2 3.63Å; W680-Y685 AromaticContact CG-CD2 3.95Å; W680-Y685 HydrophobicContact CG-CD2 3.95Å; W680-Y685 HydrophobicContact CG-CE2 4.14Å; W680-Y685 PolarHBondContact O-N 3.28Å; M683-Y685 HydrophobicContact CB-CD1 4.17Å; M683-Y685 HydrophobicContact CB-CE1 4.05Å; M683-Y685 HydrophobicContact SD-CE1 4.49Å; M683-Y685 HydrophobicContact SD-CE2 4.39Å; Y685-N687 PolarHBondContact O-N 3.01Å; Y685-D688 PolarHBondContact O-N 2.99Å; Y685-Y691 HydrophobicContact CD1-CD2 4.31Å; Y685-Y691 HydrophobicContact CD1-CE2 4.11Å; Y685-Y691 HydrophobicContact CG-CD2 4.07Å; Y685-Y691 HydrophobicContact CG-CE2 4.19Å; Y685-Y691 WeakPolarHBondContact O-CB 3.49Å
686Q95Very high95.6Very high40 Ų4076.6 Ų76.619%0.18739%0.391CS..G310 helixtrans-60.3-16.8176.168.4-81.212.500114.8R681 G684 F694 K695 L698R681-Q686 PolarHBondContact O-NE2 3.32Å; R681-Q686 PolarHBondContact O-OE1 2.97Å; G684-Q686 VanDerWaalsContact C-OE1 3.23Å; G684-Q686 PolarHBondContact O-N 3.19Å; G684-Q686 VanDerWaalsContact O-N 3.17Å; Q686-F694 HydrophobicContact CB-CD1 4.08Å; Q686-F694 HydrophobicContact CB-CE1 4.34Å; Q686-K695 HydrophobicContact CB-CB 4.2Å; Q686-L698 HydrophobicContact CB-CD1 3.78Å; Q686-L698 HydrophobicContact CG-CD1 4.07Å
687N95.7Very high95.6Very high132 Ų13275.5 Ų75.571%0.70638%0.384SS*.G310 helixtrans-89.6-16.4178.4-59.4-41.8000112.8G684 Y685G684-N687 WeakPolarHBondContact O-CB 3.48Å; G684-N687 PolarHBondContact O-N 3.22Å; G684-N687 PolarHBondContact O-ND2 2.86Å; Y685-N687 PolarHBondContact O-N 3.01Å
688D94.7Very high95.6Very high63 Ų6376.2 Ų76.234%0.33739%0.388SS..SBendtrans-86.5124.3176.7-171.3-28.5000109.5Y685 Q690 Y691Y685-D688 PolarHBondContact O-N 2.99Å; D688-Q690 PolarHBondContact O-N 3.26Å; D688-Q690 WeakPolarHBondContact OD1-CB 3.35Å; D688-Q690 WeakPolarHBondContact OD1-CG 3.44Å; D688-Q690 PolarHBondContact OD1-N 3.42Å; D688-Y691 HydrophobicContact CB-CD2 3.89Å; D688-Y691 HydrophobicContact CB-CE2 4.41Å; D688-Y691 PolarHBondContact O-N 3.09Å
689P94.8Very high95.6Very high115 Ų11579.6 Ų79.675%0.74740%0.402SS*.G310 helixtrans-52.9-26.3175-26.735.1000114.7Y691 A692P689-Y691 PolarHBondContact O-N 2.95Å; P689-A692 PolarHBondContact O-N 3.48Å
690Q94.7Very high95.6Very high157 Ų15775.7 Ų75.773%0.73439%0.389SS*.G310 helixtrans-63.6-27.9176.3-64.3-177.320.700112.8D688D688-Q690 PolarHBondContact O-N 3.26Å; D688-Q690 WeakPolarHBondContact OD1-CB 3.35Å; D688-Q690 WeakPolarHBondContact OD1-CG 3.44Å; D688-Q690 PolarHBondContact OD1-N 3.42Å
691Y94.5Very high95.7Very high99 Ų9971.8 Ų71.839%0.38837%0.374SS..G310 helixtrans-107.434178.8-52.8-67.3000112.2Y685 D688 P689 A693 F694 K695Y685-Y691 HydrophobicContact CD1-CD2 4.31Å; Y685-Y691 HydrophobicContact CD1-CE2 4.11Å; Y685-Y691 HydrophobicContact CG-CD2 4.07Å; Y685-Y691 HydrophobicContact CG-CE2 4.19Å; Y685-Y691 WeakPolarHBondContact O-CB 3.49Å; D688-Y691 HydrophobicContact CB-CD2 3.89Å; D688-Y691 HydrophobicContact CB-CE2 4.41Å; D688-Y691 PolarHBondContact O-N 3.09Å; P689-Y691 PolarHBondContact O-N 2.95Å; Y691-A693 PolarHBondContact O-N 2.86Å; Y691-A693 VanDerWaalsContact O-N 3.1Å; Y691-F694 WeakPolarHBondContact O-CA 3.48Å; Y691-F694 WeakPolarHBondContact O-CB 3.26Å; Y691-F694 PolarHBondContact O-N 2.81Å; Y691-K695 PolarHBondContact O-N 2.96Å
692A94.2Very high95.7Very high49 Ų4971.3 Ų71.341%0.40538%0.377SS..Hα-helixtrans-52.8-33.2176.600000113.4P689 F694 K695 Q696P689-A692 PolarHBondContact O-N 3.48Å; A692-F694 VanDerWaalsContact C-N 3.34Å; A692-F694 PolarHBondContact O-N 2.84Å; A692-K695 WeakPolarHBondContact O-CB 3.39Å; A692-K695 PolarHBondContact O-N 2.99Å; A692-Q696 WeakPolarHBondContact O-CG 3.32Å; A692-Q696 PolarHBondContact O-N 3.07Å
693A94.2Very high95.8Very high57 Ų5771.6 Ų71.647%0.47138%0.375SS..Hα-helixtrans-63.6-36.9174.300000112.7F641 Y691 Q696 L697F641-A693 HydrophobicContact CE1-CB 4.2Å; Y691-A693 PolarHBondContact O-N 2.86Å; Y691-A693 VanDerWaalsContact O-N 3.1Å; A693-Q696 PolarHBondContact O-N 3.21Å; A693-L697 PolarHBondContact O-N 3.29Å
694F96.8Very high95.8Very high8 Ų869.1 Ų69.14%0.03536%0.364CS..Hα-helixtrans-68.9-38.2175.6-178.4-122.8000111.5F641 I677 W680 R681 Q686 Y691 A692 L697 L698F641-F694 HydrophobicContact CE1-CB 4.46Å; F641-F694 HydrophobicContact CE2-CD2 4.36Å; F641-F694 HydrophobicContact CZ-CB 4Å; F641-F694 AromaticContact CZ-CD2 3.79Å; F641-F694 HydrophobicContact CZ-CD2 3.79Å; F641-F694 HydrophobicContact CZ-CG 4.37Å; I677-F694 HydrophobicContact CD1-CE2 4.15Å; I677-F694 HydrophobicContact CG2-CE2 4.03Å; I677-F694 HydrophobicContact CG2-CZ 4.32Å; W680-F694 HydrophobicContact CB-CE1 3.78Å; W680-F694 HydrophobicContact CB-CE2 4.05Å; W680-F694 HydrophobicContact CB-CZ 3.45Å; W680-F694 VanDerWaalsContact CB-CZ 3.45Å; W680-F694 HydrophobicContact CE3-CD2 4.34Å; W680-F694 AromaticContact CE3-CE2 3.96Å; W680-F694 HydrophobicContact CE3-CE2 3.96Å; R681-F694 HydrophobicContact CB-CZ 4.25Å; Q686-F694 HydrophobicContact CB-CD1 4.08Å; Q686-F694 HydrophobicContact CB-CE1 4.34Å; Y691-F694 WeakPolarHBondContact O-CA 3.48Å; Y691-F694 WeakPolarHBondContact O-CB 3.26Å; Y691-F694 PolarHBondContact O-N 2.81Å; A692-F694 VanDerWaalsContact C-N 3.34Å; A692-F694 PolarHBondContact O-N 2.84Å; F694-L697 HydrophobicContact CD2-CD2 4.32Å; F694-L697 WeakPolarHBondContact O-CB 3.45Å; F694-L697 PolarHBondContact O-N 3.12Å; F694-L698 HydrophobicContact CD1-CD1 4.27Å; F694-L698 HydrophobicContact CE1-CD1 3.82Å; F694-L698 HydrophobicContact CE1-CG 4.46Å; F694-L698 HydrophobicContact CE2-CD2 4.36Å; F694-L698 HydrophobicContact CE2-CG 4.29Å; F694-L698 HydrophobicContact CZ-CD1 3.94Å; F694-L698 HydrophobicContact CZ-CD2 4.2Å; F694-L698 HydrophobicContact CZ-CG 4.17Å; F694-L698 WeakPolarHBondContact O-CG 3.37Å; F694-L698 PolarHBondContact O-N 3.48Å; F694-L698 VanDerWaalsContact O-N 3.09Å
695K96.4Very high95.8Very high99 Ų9968.2 Ų68.243%0.4335%0.354SS..Hα-helixtrans-58.8-47171.5-179.2177.7174.6176.40111.5Q686 Y691 A692 L697 L698 E699Q686-K695 HydrophobicContact CB-CB 4.2Å; Y691-K695 PolarHBondContact O-N 2.96Å; A692-K695 WeakPolarHBondContact O-CB 3.39Å; A692-K695 PolarHBondContact O-N 2.99Å; K695-L697 VanDerWaalsContact C-N 3.32Å; K695-L697 PolarHBondContact O-N 2.94Å; K695-L698 PolarHBondContact O-N 3.33Å; K695-E699 WeakPolarHBondContact CE-OE1 3.43Å; K695-E699 IonicContact NZ-OE1 2.7Å; K695-E699 WeakPolarHBondContact O-CG 3.43Å; K695-E699 PolarHBondContact O-N 3.08Å
696Q95.4Very high95.8Very high135 Ų13566.1 Ų66.163%0.63136%0.355SS*.Hα-helixtrans-60.5-40.3176.2-71.5174.5-9.300112.3A692 A693 L698 E699 A700A692-Q696 WeakPolarHBondContact O-CG 3.32Å; A692-Q696 PolarHBondContact O-N 3.07Å; A693-Q696 PolarHBondContact O-N 3.21Å; Q696-L698 VanDerWaalsContact C-N 3.33Å; Q696-L698 PolarHBondContact O-N 2.84Å; Q696-E699 PolarHBondContact O-N 3.36Å; Q696-A700 WeakPolarHBondContact O-CB 3.44Å; Q696-A700 PolarHBondContact O-N 3.27Å
697L96.8Very high95.7Very high16 Ų1667.1 Ų67.18%0.08436%0.364CS..Hα-helixtrans-60.3-40.7176.4-179.863.8000112.3F641 I660 I677 A693 F694 K695 P701F641-L697 HydrophobicContact CD1-CD2 4.34Å; F641-L697 HydrophobicContact CD2-CD2 3.93Å; F641-L697 HydrophobicContact CE1-CB 4.44Å; F641-L697 HydrophobicContact CE1-CD2 4.04Å; F641-L697 HydrophobicContact CE2-CD2 3.59Å; F641-L697 HydrophobicContact CG-CD2 4.3Å; F641-L697 HydrophobicContact CZ-CD2 3.68Å; I660-L697 HydrophobicContact CD1-CG 3.94Å; I660-L697 WeakPolarHBondContact CD1-O 3.4Å; I677-L697 HydrophobicContact CD1-CD2 3.98Å; A693-L697 PolarHBondContact O-N 3.29Å; F694-L697 HydrophobicContact CD2-CD2 4.32Å; F694-L697 WeakPolarHBondContact O-CB 3.45Å; F694-L697 PolarHBondContact O-N 3.12Å; K695-L697 VanDerWaalsContact C-N 3.32Å; K695-L697 PolarHBondContact O-N 2.94Å; L697-P701 WeakPolarHBondContact O-CD 3.42Å
698L97Very high95.6Very high15 Ų1562.8 Ų62.88%0.07934%0.34CS..Hα-helixtrans-70.7-35.8176.6-67.5172.5000112.8I660 I677 R681 Q686 F694 K695 Q696I660-L698 HydrophobicContact CD1-CD2 3.84Å; I677-L698 HydrophobicContact CG2-CD2 3.99Å; R681-L698 HydrophobicContact CB-CD1 4.5Å; R681-L698 HydrophobicContact CG-CD1 4.18Å; Q686-L698 HydrophobicContact CB-CD1 3.78Å; Q686-L698 HydrophobicContact CG-CD1 4.07Å; F694-L698 HydrophobicContact CD1-CD1 4.27Å; F694-L698 HydrophobicContact CE1-CD1 3.82Å; F694-L698 HydrophobicContact CE1-CG 4.46Å; F694-L698 HydrophobicContact CE2-CD2 4.36Å; F694-L698 HydrophobicContact CE2-CG 4.29Å; F694-L698 HydrophobicContact CZ-CD1 3.94Å; F694-L698 HydrophobicContact CZ-CD2 4.2Å; F694-L698 HydrophobicContact CZ-CG 4.17Å; F694-L698 WeakPolarHBondContact O-CG 3.37Å; F694-L698 PolarHBondContact O-N 3.48Å; F694-L698 VanDerWaalsContact O-N 3.09Å; K695-L698 PolarHBondContact O-N 3.33Å; Q696-L698 VanDerWaalsContact C-N 3.33Å; Q696-L698 PolarHBondContact O-N 2.84Å
699E96.2Very high95.6Very high78 Ų7861 Ų6136%0.36433%0.33SS..Hα-helixtrans-78.3-31-176.9-72.5175.7171.700113.4K695 Q696 I702 Q703K695-E699 WeakPolarHBondContact CE-OE1 3.43Å; K695-E699 IonicContact NZ-OE1 2.7Å; K695-E699 WeakPolarHBondContact O-CG 3.43Å; K695-E699 PolarHBondContact O-N 3.08Å; Q696-E699 PolarHBondContact O-N 3.36Å; E699-I702 WeakPolarHBondContact O-CB 3.4Å; E699-I702 PolarHBondContact O-N 3.29Å; E699-Q703 WeakPolarHBondContact O-CG 3.34Å; E699-Q703 PolarHBondContact O-N 3.25Å; E699-Q703 VanDerWaalsContact O-N 3.1Å
700A96.6Very high95.4Very high28 Ų2862.9 Ų62.923%0.23132%0.322CS..Hα-helixtrans-54-54.5-178.100000114.3Y639 Q696 I702 Q703 D704Y639-A700 HydrophobicContact CD1-CB 3.91Å; Y639-A700 HydrophobicContact CE1-CB 4.04Å; Q696-A700 WeakPolarHBondContact O-CB 3.44Å; Q696-A700 PolarHBondContact O-N 3.27Å; A700-I702 PolarHBondContact O-N 2.96Å; A700-Q703 PolarHBondContact O-N 2.91Å; A700-Q703 VanDerWaalsContact O-N 3.13Å; A700-D704 PolarHBondContact O-N 3.33Å; A700-D704 VanDerWaalsContact O-N 3.17Å
701P97.2Very high95.1Very high0 Ų062.3 Ų62.30%032%0.32CS..Hα-helixtrans-64.7-26.4179.425.8-34.9000112.9Y639 I660 L662 I671 L697 A705Y639-P701 HydrophobicContact CD1-CB 4.34Å; Y639-P701 HydrophobicContact CD2-CB 4.08Å; Y639-P701 HydrophobicContact CE1-CB 4.09Å; Y639-P701 HydrophobicContact CE2-CB 3.86Å; Y639-P701 HydrophobicContact CG-CB 4.36Å; I660-P701 HydrophobicContact CD1-CG 4.49Å; I660-P701 HydrophobicContact CG2-CB 4.45Å; I660-P701 HydrophobicContact CG2-CG 3.93Å; L662-P701 HydrophobicContact CB-CB 4.46Å; I671-P701 HydrophobicContact CD1-CB 4.01Å; I671-P701 HydrophobicContact CD1-CG 4.41Å; I671-P701 HydrophobicContact CG1-CB 4.3Å; I671-P701 HydrophobicContact CG2-CB 4.43Å; I671-P701 HydrophobicContact CG2-CG 4.37Å; L697-P701 WeakPolarHBondContact O-CD 3.42Å; P701-A705 WeakPolarHBondContact O-CB 3.36Å; P701-A705 PolarHBondContact O-N 2.97Å
702I97.4Very high95Very high71 Ų7158.3 Ų58.336%0.36430%0.304SS..Hα-helixtrans-69-39.8175.8-60.2173.5000110.6I671 E699 A700 A706I671-I702 HydrophobicContact CD1-CB 4.42Å; I671-I702 HydrophobicContact CD1-CG1 3.73Å; E699-I702 WeakPolarHBondContact O-CB 3.4Å; E699-I702 PolarHBondContact O-N 3.29Å; A700-I702 PolarHBondContact O-N 2.96Å; I702-A706 WeakPolarHBondContact O-CB 3.34Å; I702-A706 PolarHBondContact O-N 3.1Å
703Q96.2Very high94.9Very high121 Ų12157 Ų5757%0.56529%0.289SS*.Hα-helixtrans-66.6-42.8177.5-67.4174.717.700111.7E699 A700 A706 T707E699-Q703 WeakPolarHBondContact O-CG 3.34Å; E699-Q703 PolarHBondContact O-N 3.25Å; E699-Q703 VanDerWaalsContact O-N 3.1Å; A700-Q703 PolarHBondContact O-N 2.91Å; A700-Q703 VanDerWaalsContact O-N 3.13Å; Q703-A706 PolarHBondContact O-N 2.86Å; Q703-T707 PolarHBondContact O-N 3.47Å; Q703-T707 VanDerWaalsContact O-N 3.17Å; Q703-T707 PolarHBondContact O-OG1 3Å; Q703-T707 VanDerWaalsContact O-OG1 3.14Å
704D96Very high94.9Very high64 Ų6454.8 Ų54.834%0.34227%0.27SS..Hα-helixtrans-66.1-45.6176.7-67.4-19.7000110.9Y639 L662 A700 A706 T707 I708Y639-D704 WeakPolarHBondContact CE1-OD2 3.48Å; Y639-D704 PolarHBondContact OH-OD2 3.34Å; L662-D704 HydrophobicContact CD2-CB 3.82Å; A700-D704 PolarHBondContact O-N 3.33Å; A700-D704 VanDerWaalsContact O-N 3.17Å; D704-A706 VanDerWaalsContact C-N 3.32Å; D704-A706 PolarHBondContact O-N 3.43Å; D704-T707 WeakPolarHBondContact O-CB 3.36Å; D704-T707 PolarHBondContact O-N 3.38Å; D704-T707 VanDerWaalsContact O-N 3.08Å; D704-I708 PolarHBondContact O-N 3.3Å; D704-I708 VanDerWaalsContact O-N 3.13Å
705A96.5Very high94.8Very high0 Ų055 Ų550%027%0.272CS..Hα-helixtrans-56.4-43.6173.500000112.3L662 V669 I671 P701 T707 I708 L709 Y718L662-A705 HydrophobicContact CD1-CB 4Å; V669-A705 HydrophobicContact CG1-CB 3.53Å; I671-A705 HydrophobicContact CD1-CB 4.33Å; P701-A705 WeakPolarHBondContact O-CB 3.36Å; P701-A705 PolarHBondContact O-N 2.97Å; A705-T707 VanDerWaalsContact C-N 3.25Å; A705-T707 PolarHBondContact O-N 2.88Å; A705-I708 PolarHBondContact O-N 3.16Å; A705-L709 WeakPolarHBondContact O-CB 3.35Å; A705-L709 VanDerWaalsContact O-CG 3.22Å; A705-L709 WeakPolarHBondContact O-CG 3.35Å; A705-L709 PolarHBondContact O-N 3.08Å; A705-Y718 HydrophobicContact CB-CE2 4.11Å
706A95.1Very high94.7Very high42 Ų4250.5 Ų50.535%0.34725%0.253SS..Hα-helixtrans-64.1-29.7178.300000113I702 Q703 D704 R710I702-A706 WeakPolarHBondContact O-CB 3.34Å; I702-A706 PolarHBondContact O-N 3.1Å; Q703-A706 PolarHBondContact O-N 2.86Å; D704-A706 VanDerWaalsContact C-N 3.32Å; D704-A706 PolarHBondContact O-N 3.43Å; A706-R710 WeakPolarHBondContact O-CB 3.48Å; A706-R710 PolarHBondContact O-N 3.45Å
707T94.2Very high94.7Very high61 Ų6148.7 Ų48.737%0.37424%0.241SC..Hα-helixtrans-71-49.1175.6-59.50000110.6Q703 D704 A705 L709 R710 E711Q703-T707 PolarHBondContact O-N 3.47Å; Q703-T707 VanDerWaalsContact O-N 3.17Å; Q703-T707 PolarHBondContact O-OG1 3Å; Q703-T707 VanDerWaalsContact O-OG1 3.14Å; D704-T707 WeakPolarHBondContact O-CB 3.36Å; D704-T707 PolarHBondContact O-N 3.38Å; D704-T707 VanDerWaalsContact O-N 3.08Å; A705-T707 VanDerWaalsContact C-N 3.25Å; A705-T707 PolarHBondContact O-N 2.88Å; T707-L709 VanDerWaalsContact C-N 3.34Å; T707-L709 PolarHBondContact O-N 3.4Å; T707-R710 WeakPolarHBondContact O-CB 3.22Å; T707-R710 PolarHBondContact O-N 3.46Å; T707-R710 VanDerWaalsContact O-N 3.1Å; T707-E711 PolarHBondContact O-N 2.98Å
708I93.8Very high94.6Very high40 Ų4052.2 Ų52.221%0.20525%0.253CS..Hα-helixtrans-56.8-49.4175.3-61.5167.9000110.4L662 D664 V669 D704 A705 R710 E711 R712L662-I708 HydrophobicContact CD2-CD1 4.37Å; D664-I708 HydrophobicContact CB-CD1 4.46Å; V669-I708 HydrophobicContact CG2-CB 4.48Å; V669-I708 HydrophobicContact CG2-CG2 3.86Å; D704-I708 PolarHBondContact O-N 3.3Å; D704-I708 VanDerWaalsContact O-N 3.13Å; A705-I708 PolarHBondContact O-N 3.16Å; I708-R710 PolarHBondContact O-N 2.86Å; I708-E711 PolarHBondContact O-N 2.92Å; I708-R712 PolarHBondContact O-N 3.4Å
709L93.5Very high94.5Very high26 Ų2651.9 Ų51.914%0.13625%0.252CS..Hα-helixtrans-62.9-23.6-179.3-72.5173.1000113.1R400 V669 A705 T707 V715 S716 Y718R400-L709 PolarHBondContact NH1-O 3.09Å; R400-L709 PolarHBondContact NH2-O 3.45Å; V669-L709 HydrophobicContact CB-CD2 4.23Å; V669-L709 HydrophobicContact CB-CG 4.41Å; V669-L709 HydrophobicContact CG2-CD2 3.91Å; V669-L709 HydrophobicContact CG2-CG 4.23Å; A705-L709 WeakPolarHBondContact O-CB 3.35Å; A705-L709 VanDerWaalsContact O-CG 3.22Å; A705-L709 WeakPolarHBondContact O-CG 3.35Å; A705-L709 PolarHBondContact O-N 3.08Å; T707-L709 VanDerWaalsContact C-N 3.34Å; T707-L709 PolarHBondContact O-N 3.4Å; L709-V715 HydrophobicContact CD2-CG1 4.14Å; L709-S716 WeakPolarHBondContact CD2-O 3.37Å; L709-Y718 HydrophobicContact CD1-CD2 3.88Å; L709-Y718 HydrophobicContact CD1-CG 4.31Å
710R91Very high94.5Very high154 Ų15451.3 Ų51.358%0.58125%0.249SC*.Hα-helixtrans-76-35.8-179.6-170.3-177.3-59.8122.24.7112.7R400 A706 T707 I708R400-R710 PolarHBondContact NE-O 3.24Å; R400-R710 PolarHBondContact NH2-O 3.24Å; A706-R710 WeakPolarHBondContact O-CB 3.48Å; A706-R710 PolarHBondContact O-N 3.45Å; T707-R710 WeakPolarHBondContact O-CB 3.22Å; T707-R710 PolarHBondContact O-N 3.46Å; T707-R710 VanDerWaalsContact O-N 3.1Å; I708-R710 PolarHBondContact O-N 2.86Å
711E87.6Confident94.6Very high145 Ų14550.6 Ų50.668%0.67824%0.242SC*.Hα-helixtrans-93.8-29.8-171.4-63.1-176.7171.900113.1T707 I708T707-E711 PolarHBondContact O-N 2.98Å; I708-E711 PolarHBondContact O-N 2.92Å
712R92.4Very high94.5Very high15 Ų1553.4 Ų53.46%0.05726%0.255CS..  trans-71.8145.3-172.7-169.6169.2-77.2149.5-0.5113.8R400 E627 D664 F666 I708 P714 S716R400-R712 PolarHBondContact NH1-O 3.3Å; E627-R712 IonicContact OE2-CZ 3.21Å; E627-R712 IonicContact OE2-NE 2.67Å; E627-R712 PolarHBondContact OE2-NE 2.87Å; E627-R712 VanDerWaalsContact OE2-NE 3.17Å; E627-R712 IonicContact OE2-NH2 3.62Å; E627-R712 PolarHBondContact OE2-NH2 2.88Å; D664-R712 VanDerWaalsContact CG-NH2 3.34Å; D664-R712 IonicContact OD1-CZ 2.69Å; D664-R712 VanDerWaalsContact OD1-CZ 3.31Å; D664-R712 IonicContact OD1-NH1 2.72Å; D664-R712 PolarHBondContact OD1-NH1 3.37Å; D664-R712 IonicContact OD1-NH2 3.82Å; D664-R712 PolarHBondContact OD1-NH2 3.47Å; D664-R712 IonicContact OD2-CZ 3.47Å; D664-R712 IonicContact OD2-NH1 3.36Å; D664-R712 PolarHBondContact OD2-NH1 2.92Å; D664-R712 IonicContact OD2-NH2 2.74Å; D664-R712 PolarHBondContact OD2-NH2 3.03Å; F666-R712 HydrophobicContact CD2-CG 4.33Å; F666-R712 HydrophobicContact CE2-CG 3.79Å; F666-R712 HydrophobicContact CZ-CG 3.95Å; F666-R712 WeakPolarHBondContact O-CD 3.26Å; F666-R712 PolarHBondContact O-NH1 2.95Å; I708-R712 PolarHBondContact O-N 3.4Å; R712-P714 WeakPolarHBondContact CG-O 3.42Å; R712-S716 WeakPolarHBondContact CD-OG 3.37Å; R712-S716 PolarHBondContact NH1-OG 2.76Å; R712-S716 VanDerWaalsContact NH1-OG 3.08Å
713F92.5Very high94.3Very high21 Ų2153.8 Ų53.89%0.09226%0.255CS..SBendtrans-134.1132.1169.9177-92.2000109.8H382 I384 R400 V401H382-F713 HydrophobicContact CB-CZ 4.45Å; H382-F713 AromaticContact CE1-CE1 3.6Å; H382-F713 AromaticContact CE1-CZ 3.61Å; H382-F713 AromaticContact CG-CZ 3.8Å; H382-F713 AromaticContact ND1-CE1 3.38Å; H382-F713 WeakPolarHBondContact ND1-CE1 3.45Å; H382-F713 AromaticContact ND1-CZ 3.41Å; H382-F713 WeakPolarHBondContact ND1-CZ 3.28Å; I384-F713 HydrophobicContact CD1-CE2 4.47Å; R400-F713 HydrophobicContact CB-CD2 3.95Å; R400-F713 HydrophobicContact CB-CE2 4.46Å; V401-F713 HydrophobicContact CG2-CE2 3.86Å; V401-F713 HydrophobicContact CG2-CZ 4.09Å
714P93.6Very high94Very high12 Ų1255 Ų558%0.07827%0.265CS..SBendcis-61.6163.7-1429.7-35.3000111.7F615 V619 R712 S716F615-P714 HydrophobicContact CE2-CG 4.25Å; F615-P714 HydrophobicContact CZ-CG 4Å; V619-P714 HydrophobicContact CG2-CG 4.46Å; R712-P714 WeakPolarHBondContact CG-O 3.42Å; P714-S716 PolarHBondContact O-N 3.16Å
715V94.7Very high93.8Very high12 Ų1252.9 Ų52.97%0.07326%0.259CS..PPolyproline II helixtrans-63.7131.8178.7-177.60000109.4Q396 S397 L709Q396-V715 HydrophobicContact CB-CG2 3.65Å; S397-V715 VanDerWaalsContact OG-CB 3.24Å; S397-V715 WeakPolarHBondContact OG-CB 3.41Å; S397-V715 WeakPolarHBondContact OG-CG2 3.47Å; S397-V715 PolarHBondContact OG-N 3.32Å; L709-V715 HydrophobicContact CD2-CG1 4.14Å
716S95Very high93.6Very high5 Ų557.4 Ų57.44%0.03529%0.29CS..PPolyproline II helixtrans-67.2153.1174-46.80000112.1F666 F667 L709 R712 P714 Y718F666-S716 WeakPolarHBondContact O-CB 3.4Å; F666-S716 PolarHBondContact O-OG 3.02Å; F667-S716 CarbonylContact O-C 3.59Å; F667-S716 WeakPolarHBondContact O-CA 3.4Å; L709-S716 WeakPolarHBondContact CD2-O 3.37Å; R712-S716 WeakPolarHBondContact CD-OG 3.37Å; R712-S716 PolarHBondContact NH1-OG 2.76Å; R712-S716 VanDerWaalsContact NH1-OG 3.08Å; P714-S716 PolarHBondContact O-N 3.16Å; S716-Y718 PolarHBondContact O-N 2.79Å
717R94.8Very high93.5Very high97 Ų9758.1 Ų58.137%0.36629%0.287SS..EExtended strand (participates in β ladder)trans-68.8118.7167.3-174.2177.1-175.8142.79.3109.7D387 L393 F667 H668 V669 V719D387-R717 IonicContact OD2-NH1 3.28Å; D387-R717 IonicContact OD2-NH2 2.72Å; L393-R717 HydrophobicContact CD1-CB 4.07Å; F667-R717 PolarHBondContact O-N 3.06Å; H668-R717 CarbonylContact C-O 3.57Å; H668-R717 VanDerWaalsContact CA-O 3.23Å; H668-R717 WeakPolarHBondContact CA-O 3.48Å; V669-R717 PolarHBondContact N-O 3Å; R717-V719 HydrophobicContact CG-CG2 4.1Å
718Y95.3Very high93.5Very high89 Ų8955.5 Ų55.535%0.34927%0.271SS..EExtended strand (participates in β ladder)trans-77.4129.2171.1180-102.5000110V669 I671 A705 L709 S716 E720V669-Y718 WeakPolarHBondContact O-CA 3.38Å; I671-Y718 HydrophobicContact CD1-CE2 4.02Å; I671-Y718 WeakPolarHBondContact CD1-OH 3.38Å; I671-Y718 HydrophobicContact CG1-CE2 4.46Å; A705-Y718 HydrophobicContact CB-CE2 4.11Å; L709-Y718 HydrophobicContact CD1-CD2 3.88Å; L709-Y718 HydrophobicContact CD1-CG 4.31Å; S716-Y718 PolarHBondContact O-N 2.79Å; Y718-E720 HydrophobicContact CE1-CB 4.07Å; Y718-E720 PolarHBondContact OH-OE2 2.95Å; Y718-E720 VanDerWaalsContact OH-OE2 3.14Å
719V95.5Very high93.4Very high8 Ų861.1 Ų61.15%0.04829%0.29CS..EExtended strand (participates in β ladder)trans-130.4125.3178.9-178.60000108.9V669 L670 I671 R717 Q727V669-V719 PolarHBondContact O-N 3.14Å; L670-V719 CarbonylContact C-O 3.54Å; L670-V719 VanDerWaalsContact CA-O 3.23Å; L670-V719 WeakPolarHBondContact CA-O 2.9Å; L670-V719 HydrophobicContact CB-CB 4.19Å; L670-V719 HydrophobicContact CD1-CB 4.13Å; L670-V719 HydrophobicContact CD1-CG1 3.85Å; L670-V719 HydrophobicContact CG-CB 4.04Å; L670-V719 HydrophobicContact CG-CG1 4.03Å; I671-V719 PolarHBondContact N-O 3.2Å; R717-V719 HydrophobicContact CG-CG2 4.1Å; V719-Q727 HydrophobicContact CG1-CB 3.73Å; V719-Q727 HydrophobicContact CG1-CG 4.39Å
720E96.4Very high93.4Very high67 Ų6761.7 Ų61.731%0.31329%0.291SS..EExtended strand (participates in β ladder)trans-116.9126.5171.1-167.7-179.2144.800108.6I671 H673 R681 Y718I671-E720 HydrophobicContact CB-CG 4.38Å; H673-E720 IonicContact CE1-OE1 3.59Å; R681-E720 IonicContact CZ-OE1 2.85Å; R681-E720 IonicContact NH1-OE1 3.7Å; R681-E720 PolarHBondContact NH1-OE1 2.75Å; R681-E720 IonicContact NH2-OE1 3.83Å; R681-E720 PolarHBondContact NH2-OE1 2.83Å; Y718-E720 HydrophobicContact CE1-CB 4.07Å; Y718-E720 PolarHBondContact OH-OE2 2.95Å; Y718-E720 VanDerWaalsContact OH-OE2 3.14Å
721T97.2Very high93.5Very high12 Ų1254.4 Ų54.47%0.07426%0.264CS..EExtended strand (participates in β ladder)trans-149.5-179-175.7-158.90000111L670 I671 Y672 H673 A728L670-T721 HydrophobicContact CD1-CG2 4.46Å; L670-T721 HydrophobicContact CD2-CG2 4.12Å; L670-T721 HydrophobicContact CG-CG2 4.4Å; I671-T721 PolarHBondContact O-N 3.29Å; Y672-T721 WeakPolarHBondContact CA-O 3.22Å; Y672-T721 HydrophobicContact CD2-CG2 4.08Å; H673-T721 PolarHBondContact N-O 2.79Å; H673-T721 PolarHBondContact ND1-O 3.1Å; T721-A728 HydrophobicContact CG2-CB 4.07Å; T721-A728 PolarHBondContact OG1-N 3.02Å
722E96.4Very high93.8Very high59 Ų5950.5 Ų50.528%0.27625%0.247SC..EExtended strand (participates in β ladder)trans-150.3175.2-173.358.7-173.9-166.200110Y672 H673 A678 D724 G725Y672-E722 VanDerWaalsContact CE2-C 3.5Å; H673-E722 HydrophobicContact CB-CB 4Å; H673-E722 CarbonylContact O-C 3.58Å; H673-E722 WeakPolarHBondContact O-CA 3.36Å; A678-E722 HydrophobicContact CB-CB 3.92Å; E722-D724 PolarHBondContact O-N 3.33Å; E722-G725 PolarHBondContact O-N 2.72Å
723H92.2Very high93.6Very high80 Ų8053.7 Ų53.737%0.3727%0.272SS..THydrogen-bonded Turntrans-50.9134.4172-171.864.1000111.2Y672 H673 A675 G725Y672-H723 WeakPolarHBondContact OH-CA 3.32Å; Y672-H723 PolarHBondContact OH-ND1 3Å; H673-H723 PolarHBondContact O-N 3.42Å; A675-H723 HydrophobicContact CB-CB 3.96Å; H723-G725 PolarHBondContact O-N 3.24Å; H723-G725 VanDerWaalsContact O-N 3.09Å
724D89.6Confident93.6Very high145 Ų14554.4 Ų54.478%0.77528%0.275SS*.THydrogen-bonded Turntrans60.25.2-172.8-62-28.1000116.6E722E722-D724 PolarHBondContact O-N 3.33Å
725G92.7Very high93.5Very high20 Ų2054 Ų5421%0.20627%0.272CS..  trans-67.5139.7174.400000112.6E722 H723 Q727 A728E722-G725 PolarHBondContact O-N 2.72Å; H723-G725 PolarHBondContact O-N 3.24Å; H723-G725 VanDerWaalsContact O-N 3.09Å; G725-Q727 PolarHBondContact O-N 3.31Å; G725-Q727 VanDerWaalsContact O-N 3.14Å; G725-A728 WeakPolarHBondContact O-CB 3.4Å; G725-A728 PolarHBondContact O-N 3.17Å
726S92.5Very high93.1Very high95 Ų9553.6 Ų53.666%0.66427%0.27SS*.G310 helixtrans-60.2-29.2-178.166.20000113.9R729S726-R729 WeakPolarHBondContact O-CD 3.5Å; S726-R729 WeakPolarHBondContact O-CG 3.27Å
727Q93.2Very high92.7Very high58 Ų5853.6 Ų53.627%0.27127%0.269SS..G310 helixtrans-82.5-11.5178.7-56.6-65.3-63.900112.8V719 G725 R729 F730V719-Q727 HydrophobicContact CG1-CB 3.73Å; V719-Q727 HydrophobicContact CG1-CG 4.39Å; G725-Q727 PolarHBondContact O-N 3.31Å; G725-Q727 VanDerWaalsContact O-N 3.14Å; Q727-R729 PolarHBondContact O-N 2.86Å; Q727-R729 VanDerWaalsContact O-N 3.1Å; Q727-F730 HydrophobicContact CB-CD2 4.5Å; Q727-F730 WeakPolarHBondContact O-CD2 3.49Å; Q727-F730 PolarHBondContact O-N 3.25Å; Q727-F730 VanDerWaalsContact O-N 3.15Å; Q727-F730 VanDerWaalsContact OE1-CE2 3.31Å
728A93.7Very high92Very high6 Ų650.2 Ų50.25%0.0526%0.261CS..G310 helixtrans-61.2-20.217500000112.4Y672 T721 G725 F730 L731 L732Y672-A728 HydrophobicContact CD2-CB 4.19Å; Y672-A728 HydrophobicContact CE2-CB 4.11Å; T721-A728 HydrophobicContact CG2-CB 4.07Å; T721-A728 PolarHBondContact OG1-N 3.02Å; G725-A728 WeakPolarHBondContact O-CB 3.4Å; G725-A728 PolarHBondContact O-N 3.17Å; A728-F730 PolarHBondContact O-N 3.2Å; A728-F730 VanDerWaalsContact O-N 3.12Å; A728-L731 WeakPolarHBondContact O-CB 3.39Å; A728-L731 PolarHBondContact O-N 3.34Å; A728-L732 WeakPolarHBondContact O-CG 3.27Å; A728-L732 PolarHBondContact O-N 2.86Å
729R92.6Very high90.9Very high157 Ų15746.5 Ų46.559%0.59225%0.247SC*.Hα-helixtrans-52.3-31.9172.973.1-175.5-176.5172.10.8113.6S726 Q727 L732 S733S726-R729 WeakPolarHBondContact O-CD 3.5Å; S726-R729 WeakPolarHBondContact O-CG 3.27Å; Q727-R729 PolarHBondContact O-N 2.86Å; Q727-R729 VanDerWaalsContact O-N 3.1Å; R729-L732 PolarHBondContact O-N 3.12Å; R729-S733 VanDerWaalsContact O-CB 3.31Å; R729-S733 WeakPolarHBondContact O-CB 3.47Å; R729-S733 PolarHBondContact O-N 3.41Å; R729-S733 PolarHBondContact O-OG 3.47Å
730F92.6Very high89.6Confident39 Ų3947.2 Ų47.217%0.17125%0.251CS..Hα-helixtrans-65.1-42.9178.1-71.7-65.2000111.2H668 L670 Q727 A728 S733 K734H668-F730 AromaticContact NE2-CE1 3.82Å; L670-F730 HydrophobicContact CD1-CB 3.64Å; Q727-F730 HydrophobicContact CB-CD2 4.5Å; Q727-F730 WeakPolarHBondContact O-CD2 3.49Å; Q727-F730 PolarHBondContact O-N 3.25Å; Q727-F730 VanDerWaalsContact O-N 3.15Å; Q727-F730 VanDerWaalsContact OE1-CE2 3.31Å; A728-F730 PolarHBondContact O-N 3.2Å; A728-F730 VanDerWaalsContact O-N 3.12Å; F730-S733 PolarHBondContact O-OG 2.82Å; F730-K734 WeakPolarHBondContact O-CG 3.25Å
731L94.2Very high88.4Confident0 Ų047.8 Ų47.80%025%0.254CS..Hα-helixtrans-65.4-51.1172.317562.3000111.3L636 I655 L661 M663 L670 Y672 A728 S733 K734 V735L636-L731 HydrophobicContact CD1-CD1 3.93Å; I655-L731 HydrophobicContact CD1-CD2 4.22Å; I655-L731 HydrophobicContact CD1-CG 4.42Å; L661-L731 HydrophobicContact CD1-CD2 4.12Å; M663-L731 HydrophobicContact CB-CD1 4.17Å; M663-L731 HydrophobicContact CG-CD1 4.29Å; M663-L731 HydrophobicContact SD-CB 4.46Å; M663-L731 HydrophobicContact SD-CD1 3.59Å; M663-L731 VanDerWaalsContact SD-CD1 3.59Å; L670-L731 HydrophobicContact CD1-CB 4.39Å; L670-L731 HydrophobicContact CD2-CB 4.09Å; Y672-L731 HydrophobicContact CD1-CD2 4.2Å; Y672-L731 HydrophobicContact CD2-CD2 4.04Å; Y672-L731 HydrophobicContact CG-CD2 3.76Å; A728-L731 WeakPolarHBondContact O-CB 3.39Å; A728-L731 PolarHBondContact O-N 3.34Å; L731-S733 PolarHBondContact O-N 3.01Å; L731-K734 PolarHBondContact O-N 3.42Å; L731-V735 HydrophobicContact CD1-CG1 3.89Å; L731-V735 HydrophobicContact CG-CG1 4.35Å; L731-V735 PolarHBondContact O-N 2.9Å
732L92Very high86.9Confident63 Ų6352.5 Ų52.533%0.3328%0.279SS..Hα-helixtrans-61.4-30.4-174.7-63.5175.7000113.1I655 A728 R729 K734 V735 V753I655-L732 HydrophobicContact CD1-CD2 3.73Å; A728-L732 WeakPolarHBondContact O-CG 3.27Å; A728-L732 PolarHBondContact O-N 2.86Å; R729-L732 PolarHBondContact O-N 3.12Å; L732-K734 VanDerWaalsContact C-N 3.31Å; L732-K734 PolarHBondContact O-N 3.19Å; L732-V735 WeakPolarHBondContact O-CG2 3.43Å; L732-V753 HydrophobicContact CD2-CG2 4.09Å
733S89.4Confident85.6Confident82 Ų8253.7 Ų53.757%0.57329%0.287SS*.THydrogen-bonded Turntrans-73.3-19.1176.571.90000114.4R729 F730 L731R729-S733 VanDerWaalsContact O-CB 3.31Å; R729-S733 WeakPolarHBondContact O-CB 3.47Å; R729-S733 PolarHBondContact O-N 3.41Å; R729-S733 PolarHBondContact O-OG 3.47Å; F730-S733 PolarHBondContact O-OG 2.82Å; L731-S733 PolarHBondContact O-N 3.01Å
734K91.8Very high83.8Confident37 Ų3754 Ų5416%0.16130%0.296CS..THydrogen-bonded Turntrans-98.7-30.5-176.4-60.7-63.7-179.5174.10112.8P634 L650 M663 D665 F730 L731 L732P634-K734 HydrophobicContact CG-CB 4.33Å; P634-K734 HydrophobicContact CG-CD 4.3Å; P634-K734 HydrophobicContact CG-CG 4.4Å; L650-K734 WeakPolarHBondContact CD2-O 3.26Å; M663-K734 HydrophobicContact CE-CG 4.33Å; M663-K734 HydrophobicContact SD-CB 4.03Å; M663-K734 HydrophobicContact SD-CG 4.13Å; D665-K734 VanDerWaalsContact OD2-CE 3.23Å; D665-K734 WeakPolarHBondContact OD2-CE 3.33Å; D665-K734 IonicContact OD2-NZ 2.68Å; F730-K734 WeakPolarHBondContact O-CG 3.25Å; L731-K734 PolarHBondContact O-N 3.42Å; L732-K734 VanDerWaalsContact C-N 3.31Å; L732-K734 PolarHBondContact O-N 3.19Å
735V91Very high82.1Confident3 Ų358.1 Ų58.12%0.01830%0.301CS..SBendtrans-65.7149.3-178.8-650000112.9R599 L650 T652 I655 L731 L732 P737 V753R599-V735 PolarHBondContact NH1-O 2.76Å; L650-V735 HydrophobicContact CD1-CG1 4.33Å; L650-V735 HydrophobicContact CG-CG1 4.44Å; T652-V735 HydrophobicContact CG2-CG2 3.85Å; I655-V735 HydrophobicContact CD1-CG1 4.39Å; I655-V735 HydrophobicContact CD1-CG2 4.41Å; L731-V735 HydrophobicContact CD1-CG1 3.89Å; L731-V735 HydrophobicContact CG-CG1 4.35Å; L731-V735 PolarHBondContact O-N 2.9Å; L732-V735 WeakPolarHBondContact O-CG2 3.43Å; V735-P737 WeakPolarHBondContact O-CD 3.39Å; V735-V753 HydrophobicContact CG2-CG2 4.21Å
736N88Confident80.2Confident4 Ų458.3 Ų58.32%0.02130%0.303CS..BIsolated β-bridgetrans-65.3122.5167.1177.740.5000109.6L650 D651 T652 S738 S759 L760 Q761L650-N736 WeakPolarHBondContact O-CB 3.36Å; L650-N736 PolarHBondContact O-N 2.67Å; D651-N736 HydrophobicContact CB-CB 4.3Å; D651-N736 PolarHBondContact OD2-ND2 3.3Å; T652-N736 WeakPolarHBondContact CG2-O 3.2Å; T652-N736 PolarHBondContact N-O 3.16Å; T652-N736 VanDerWaalsContact N-O 3.1Å; T652-N736 PolarHBondContact OG1-O 2.85Å; N736-S738 PolarHBondContact O-N 3.46Å; N736-S759 VanDerWaalsContact OD1-CA 3.27Å; N736-S759 WeakPolarHBondContact OD1-CA 3.23Å; N736-L760 PolarHBondContact OD1-N 3.4Å; N736-Q761 PolarHBondContact ND2-OE1 3Å
737P85.5Confident78.1Confident4 Ų458.9 Ų58.93%0.02630%0.302CS..  trans-79.467.117835.2-37.5000110.5R599 V735 L739 T740 V753 T755 D757R599-P737 VanDerWaalsContact NH2-CD 3.3Å; V735-P737 WeakPolarHBondContact O-CD 3.39Å; P737-L739 VanDerWaalsContact C-N 3.27Å; P737-T740 HydrophobicContact CB-CG2 3.93Å; P737-T740 WeakPolarHBondContact O-CG2 3.35Å; P737-V753 HydrophobicContact CB-CB 4.29Å; P737-T755 HydrophobicContact CB-CG2 3.43Å; P737-T755 VanDerWaalsContact CB-CG2 3.43Å; P737-T755 HydrophobicContact CG-CG2 3.68Å; P737-D757 HydrophobicContact CG-CB 4.31Å
738S79.9Confident76.1Confident26 Ų2666.2 Ų66.218%0.18234%0.336CS..SBendtrans-70.3-29.8174.966.60000111.8D651 T652 N736D651-S738 VanDerWaalsContact CG-OG 3.27Å; D651-S738 WeakPolarHBondContact OD1-CB 3.3Å; D651-S738 PolarHBondContact OD1-OG 3.49Å; D651-S738 VanDerWaalsContact OD2-CB 3.27Å; D651-S738 WeakPolarHBondContact OD2-CB 3.39Å; D651-S738 PolarHBondContact OD2-OG 3.35Å; T652-S738 PolarHBondContact OG1-N 3.33Å; T652-S738 PolarHBondContact OG1-OG 2.88Å; N736-S738 PolarHBondContact O-N 3.46Å
739L72.3Confident74.3Confident12 Ų1268.2 Ų68.26%0.06336%0.358CS..SBendtrans-109.3112.8172.5-58179.2000108.7T652 P737 G746 P752 V753T652-L739 PolarHBondContact OG1-N 3.36Å; P737-L739 VanDerWaalsContact C-N 3.27Å; L739-G746 WeakPolarHBondContact CD2-O 3.22Å; L739-P752 WeakPolarHBondContact O-CA 3.42Å; L739-V753 PolarHBondContact O-N 2.95Å
740T68.7Low72.7Confident22 Ų2261.9 Ų61.914%0.13534%0.341CS..BIsolated β-bridgetrans-120.4163.9177.663.80000110.5P737 N742 N743 V753P737-T740 HydrophobicContact CB-CG2 3.93Å; P737-T740 WeakPolarHBondContact O-CG2 3.35Å; T740-N742 PolarHBondContact O-N 3.33Å; T740-N742 VanDerWaalsContact O-N 3.1Å; T740-N742 PolarHBondContact OG1-N 2.89Å; T740-N743 CarbonylContact O-C 3.42Å; T740-N743 PolarHBondContact O-N 3.05Å; T740-N743 PolarHBondContact OG1-N 3.32Å; T740-V753 WeakPolarHBondContact CA-O 3.39Å
741H70.2Confident71.4Confident80 Ų8061 Ų6137%0.3734%0.341SS..THydrogen-bonded Turntrans-55.6-23.6171.470.9-77.2000113.7F754H741-F754 HydrophobicContact CB-CD1 3.7Å; H741-F754 HydrophobicContact CB-CE1 3.71Å; H741-F754 AromaticContact CG-CD1 3.96Å
742N67.3Low70.3Confident111 Ų11164.4 Ų64.459%0.59436%0.364SS*.THydrogen-bonded Turntrans-86-13.5178.3-72.1-32.4000113.8T740T740-N742 PolarHBondContact O-N 3.33Å; T740-N742 VanDerWaalsContact O-N 3.1Å; T740-N742 PolarHBondContact OG1-N 2.89Å
743N67.3Low69.2Low83 Ų8362.2 Ų62.244%0.44435%0.353SS..  trans-133.667.1176.8-16724.5000112.2T740 W745T740-N743 CarbonylContact O-C 3.42Å; T740-N743 PolarHBondContact O-N 3.05Å; T740-N743 PolarHBondContact OG1-N 3.32Å; N743-W745 PolarHBondContact O-N 3.5Å
744P55.9Low68.5Low88 Ų8866.5 Ų66.557%0.57136%0.361SS*.THydrogen-bonded Turntrans-71.1-6.9-176.427.2-33.2000114.8
745W53.4Low67.6Low231 Ų23166.2 Ų66.288%0.87536%0.362SS*.THydrogen-bonded Turntrans-89.63.5-178.3-68.2-76.2000114.8N743 T747N743-W745 PolarHBondContact O-N 3.5Å; W745-T747 PolarHBondContact O-N 2.88Å
746G51.9Low66.8Low24 Ų2472.8 Ų72.825%0.24740%0.398CS..SBendtrans-81.5110.9172.600000111.7L739L739-G746 WeakPolarHBondContact CD2-O 3.22Å
747T49.8Very low66.3Low107 Ų10777 Ų7766%0.65642%0.42SS*.  trans49.3113.4164.935.90000118W745 G749W745-T747 PolarHBondContact O-N 2.88Å; T747-G749 PolarHBondContact O-N 3.37Å; T747-G749 VanDerWaalsContact O-N 3.11Å
748E50.1Low66.1Low211 Ų21180.1 Ų80.199%0.98644%0.439SS*.THydrogen-bonded Turntrans-49.5113.1169.8-66.8-178.1154.500111.7
749G56.2Low66.6Low49 Ų4979.7 Ų79.751%0.50544%0.436SS..THydrogen-bonded Turntrans127.7-9.9160.600000118.9T747T747-G749 PolarHBondContact O-N 3.37Å; T747-G749 VanDerWaalsContact O-N 3.11Å
750G60Low67.5Low23 Ų2380.6 Ų80.624%0.23744%0.441CS..  trans-89.4161.5179.900000114.7P752G750-P752 WeakPolarHBondContact O-CD 3.43Å
751A64.5Low68.6Low20 Ų2084 Ų8417%0.16546%0.455CS..  trans-87.4111177.300000111.4T652 I655T652-A751 WeakPolarHBondContact CB-O 3.39Å; I655-A751 HydrophobicContact CB-CB 4.14Å; I655-A751 HydrophobicContact CG2-CB 3.92Å
752P71Confident69.6Low73 Ų7382.9 Ų82.947%0.47445%0.454SS..  trans-67.9135.6179.927.4-33.5000111.3L739 G750L739-P752 WeakPolarHBondContact O-CA 3.42Å; G750-P752 WeakPolarHBondContact O-CD 3.43Å
753V68.6Low70.9Confident17 Ų1778.8 Ų78.810%0.10343%0.431CS..BIsolated β-bridgetrans-96134.3176.9175.70000110.4T652 L732 V735 P737 L739 T740 T755T652-V753 HydrophobicContact CG2-CB 4.1Å; T652-V753 HydrophobicContact CG2-CG2 3.26Å; L732-V753 HydrophobicContact CD2-CG2 4.09Å; V735-V753 HydrophobicContact CG2-CG2 4.21Å; P737-V753 HydrophobicContact CB-CB 4.29Å; L739-V753 PolarHBondContact O-N 2.95Å; T740-V753 WeakPolarHBondContact CA-O 3.39Å; V753-T755 HydrophobicContact CB-CG2 4.47Å; V753-T755 HydrophobicContact CG1-CG2 3.75Å; V753-T755 PolarHBondContact O-N 3.5Å; V753-T755 VanDerWaalsContact O-N 3.16Å
754F74.3Confident72.1Confident172 Ų17277 Ų7775%0.75442%0.42SS*.  trans-83.582.2173.1-64.2-80.6000110.2H741H741-F754 HydrophobicContact CB-CD1 3.7Å; H741-F754 HydrophobicContact CB-CE1 3.71Å; H741-F754 AromaticContact CG-CD1 3.96Å
755T73.7Confident73.9Confident30 Ų3077.8 Ų77.818%0.18442%0.416CS..  trans-144.3153174.3-173.90000111.1P737 V753 D757P737-T755 HydrophobicContact CB-CG2 3.43Å; P737-T755 VanDerWaalsContact CB-CG2 3.43Å; P737-T755 HydrophobicContact CG-CG2 3.68Å; V753-T755 HydrophobicContact CB-CG2 4.47Å; V753-T755 HydrophobicContact CG1-CG2 3.75Å; V753-T755 PolarHBondContact O-N 3.5Å; V753-T755 VanDerWaalsContact O-N 3.16Å; T755-D757 VanDerWaalsContact C-N 3.34Å; T755-D757 HydrophobicContact CG2-CB 4.02Å; T755-D757 WeakPolarHBondContact OG1-CB 3.45Å; T755-D757 VanDerWaalsContact OG1-CG 3.23Å; T755-D757 PolarHBondContact OG1-N 3.25Å; T755-D757 PolarHBondContact OG1-OD2 3.46Å
756D73.6Confident75.9Confident142 Ų14271.9 Ų71.976%0.75940%0.398SS*.  trans-92.52.1168.7-65.4-34.6000112
757D77.3Confident77.9Confident93 Ų9371.1 Ų71.150%0.49739%0.389SS..PPolyproline II helixtrans-62.8139.2179-72.9-43.8000112.1P737 T755 S759P737-D757 HydrophobicContact CG-CB 4.31Å; T755-D757 VanDerWaalsContact C-N 3.34Å; T755-D757 HydrophobicContact CG2-CB 4.02Å; T755-D757 WeakPolarHBondContact OG1-CB 3.45Å; T755-D757 VanDerWaalsContact OG1-CG 3.23Å; T755-D757 PolarHBondContact OG1-N 3.25Å; T755-D757 PolarHBondContact OG1-OD2 3.46Å; D757-S759 PolarHBondContact O-N 2.88Å
758V82.9Confident80.1Confident68 Ų6869.4 Ų69.441%0.41237%0.372SS..PPolyproline II helixtrans-65.4132.6175.3-175.90000109.8F595 R599 V762 F763F595-V758 WeakPolarHBondContact CE2-O 3.27Å; R599-V758 PolarHBondContact NH2-O 3.41Å; V758-V762 HydrophobicContact CG1-CB 3.6Å; V758-V762 HydrophobicContact CG1-CG1 3.53Å; V758-F763 HydrophobicContact CG1-CB 4.42Å
759S90.2Very high82.2Confident17 Ų1764.5 Ų64.512%0.11935%0.348CS..PPolyproline II helixtrans-74161174.472.90000112.1N736 D757 Q761 V762 F763N736-S759 VanDerWaalsContact OD1-CA 3.27Å; N736-S759 WeakPolarHBondContact OD1-CA 3.23Å; D757-S759 PolarHBondContact O-N 2.88Å; S759-Q761 PolarHBondContact O-N 2.93Å; S759-Q761 PolarHBondContact OG-OE1 3.27Å; S759-V762 PolarHBondContact O-N 3.3Å; S759-V762 PolarHBondContact OG-N 3.24Å; S759-F763 WeakPolarHBondContact O-CB 3.41Å; S759-F763 PolarHBondContact O-N 3.25Å
760L91.6Very high84Confident31 Ų3166.4 Ų66.416%0.16235%0.345CS..Hα-helixtrans-57.4-38.1175.9179.261.7000111.3Q592 F595 N736 F763 M764Q592-L760 HydrophobicContact CG-CD1 4.45Å; Q592-L760 HydrophobicContact CG-CD2 4.07Å; F595-L760 HydrophobicContact CB-CD1 3.77Å; F595-L760 HydrophobicContact CD1-CB 4.17Å; F595-L760 HydrophobicContact CD1-CD1 3.76Å; F595-L760 HydrophobicContact CD1-CG 4.47Å; F595-L760 HydrophobicContact CD2-CD1 4.17Å; F595-L760 HydrophobicContact CE1-CB 3.9Å; F595-L760 HydrophobicContact CE1-CD1 4.36Å; F595-L760 HydrophobicContact CE2-CB 4.37Å; F595-L760 HydrophobicContact CG-CD1 3.63Å; F595-L760 HydrophobicContact CZ-CB 3.98Å; N736-L760 PolarHBondContact OD1-N 3.4Å; L760-F763 HydrophobicContact CD1-CD1 4.31Å; L760-F763 PolarHBondContact O-N 2.91Å; L760-M764 HydrophobicContact CD1-CG 4.01Å; L760-M764 HydrophobicContact CG-CG 4.33Å; L760-M764 WeakPolarHBondContact O-CB 3.48Å; L760-M764 VanDerWaalsContact O-CG 3.23Å; L760-M764 WeakPolarHBondContact O-CG 3.37Å; L760-M764 PolarHBondContact O-N 3.43Å
761Q90.6Very high85.6Confident93 Ų9365.3 Ų65.344%0.43533%0.334SS..Hα-helixtrans-60.5-51.3178.2-6484.1-300111.2N736 S759 F763 M764 E765N736-Q761 PolarHBondContact ND2-OE1 3Å; S759-Q761 PolarHBondContact O-N 2.93Å; S759-Q761 PolarHBondContact OG-OE1 3.27Å; Q761-F763 VanDerWaalsContact C-N 3.34Å; Q761-F763 PolarHBondContact O-N 3.49Å; Q761-M764 PolarHBondContact O-N 2.55Å; Q761-E765 WeakPolarHBondContact O-CG 3.42Å; Q761-E765 PolarHBondContact O-N 2.66Å
762V91.7Very high86.9Confident58 Ų5864.6 Ų64.635%0.35233%0.328SS..Hα-helixtrans-65.8-39179.8177.10000111.1V758 S759 M764 E765 H766V758-V762 HydrophobicContact CG1-CB 3.6Å; V758-V762 HydrophobicContact CG1-CG1 3.53Å; S759-V762 PolarHBondContact O-N 3.3Å; S759-V762 PolarHBondContact OG-N 3.24Å; V762-M764 PolarHBondContact O-N 2.88Å; V762-E765 PolarHBondContact O-N 2.9Å; V762-H766 PolarHBondContact O-N 3.03Å
763F93.6Very high87.7Confident24 Ų2462.8 Ų62.811%0.10532%0.317CS..Hα-helixtrans-58.5-47.5173.7174.1-97.5000111.8L563 F595 V758 S759 L760 Q761 H766 L767L563-F763 HydrophobicContact CD2-CE1 4.03Å; L563-F763 HydrophobicContact CD2-CZ 3.5Å; F595-F763 HydrophobicContact CB-CD1 3.85Å; F595-F763 HydrophobicContact CB-CE1 3.78Å; F595-F763 HydrophobicContact CB-CG 4.4Å; F595-F763 HydrophobicContact CB-CZ 4.28Å; F595-F763 HydrophobicContact CD2-CB 3.73Å; F595-F763 AromaticContact CD2-CD1 3.9Å; F595-F763 HydrophobicContact CD2-CD1 3.9Å; F595-F763 HydrophobicContact CD2-CD2 4.1Å; F595-F763 AromaticContact CD2-CG 3.64Å; F595-F763 HydrophobicContact CD2-CG 3.64Å; F595-F763 HydrophobicContact CE2-CB 4.04Å; F595-F763 HydrophobicContact CE2-CG 4.42Å; F595-F763 HydrophobicContact CG-CD1 4.27Å; F595-F763 HydrophobicContact CG-CG 4.45Å; V758-F763 HydrophobicContact CG1-CB 4.42Å; S759-F763 WeakPolarHBondContact O-CB 3.41Å; S759-F763 PolarHBondContact O-N 3.25Å; L760-F763 HydrophobicContact CD1-CD1 4.31Å; L760-F763 PolarHBondContact O-N 2.91Å; Q761-F763 VanDerWaalsContact C-N 3.34Å; Q761-F763 PolarHBondContact O-N 3.49Å; F763-H766 PolarHBondContact O-N 3.03Å; F763-L767 HydrophobicContact CE1-CD2 4.43Å; F763-L767 WeakPolarHBondContact O-CB 3.35Å; F763-L767 PolarHBondContact O-N 3.42Å
764M94.3Very high87.3Confident45 Ų4565.5 Ų65.522%0.22234%0.337CS..Hα-helixtrans-66-38.7178.9-72.1-60.4-70.200112.2P591 L760 Q761 V762 H766 L767 K768P591-M764 HydrophobicContact CB-CE 4.05Å; P591-M764 HydrophobicContact CB-SD 3.59Å; P591-M764 VanDerWaalsContact CB-SD 3.59Å; P591-M764 HydrophobicContact CG-CE 4.39Å; L760-M764 HydrophobicContact CD1-CG 4.01Å; L760-M764 HydrophobicContact CG-CG 4.33Å; L760-M764 WeakPolarHBondContact O-CB 3.48Å; L760-M764 VanDerWaalsContact O-CG 3.23Å; L760-M764 WeakPolarHBondContact O-CG 3.37Å; L760-M764 PolarHBondContact O-N 3.43Å; Q761-M764 PolarHBondContact O-N 2.55Å; V762-M764 PolarHBondContact O-N 2.88Å; M764-H766 VanDerWaalsContact C-N 3.35Å; M764-H766 PolarHBondContact O-N 2.96Å; M764-L767 PolarHBondContact O-N 3.16Å; M764-L767 HydrophobicContact SD-CD2 4.12Å; M764-K768 WeakPolarHBondContact O-CB 3.45Å; M764-K768 WeakPolarHBondContact O-CG 2.7Å; M764-K768 PolarHBondContact O-N 3.13Å
765E93.7Very high86.3Confident106 Ų10662.2 Ų62.250%0.49534%0.335SS..Hα-helixtrans-60.6-44.1174.2-75.1-178.6-17300112.2Q761 V762 K768 K769Q761-E765 WeakPolarHBondContact O-CG 3.42Å; Q761-E765 PolarHBondContact O-N 2.66Å; V762-E765 PolarHBondContact O-N 2.9Å; E765-K768 PolarHBondContact O-N 3.04Å; E765-K769 VanDerWaalsContact O-CG 3.3Å; E765-K769 WeakPolarHBondContact O-CG 3.48Å; E765-K769 PolarHBondContact O-N 2.63Å
766H94Very high84.8Confident106 Ų10667.2 Ų67.249%0.49138%0.379SS..Hα-helixtrans-65.6-44176.2-80.7-153.2000111.6V762 F763 M764 K768 K769 L770V762-H766 PolarHBondContact O-N 3.03Å; F763-H766 PolarHBondContact O-N 3.03Å; M764-H766 VanDerWaalsContact C-N 3.35Å; M764-H766 PolarHBondContact O-N 2.96Å; H766-K768 PolarHBondContact O-N 2.8Å; H766-K769 PolarHBondContact O-N 3.42Å; H766-L770 WeakPolarHBondContact O-CG 3.46Å; H766-L770 PolarHBondContact O-N 3.36Å
767L94.8Very high85.4Confident9 Ų963.5 Ų63.55%0.04736%0.36CS..Hα-helixtrans-59-46.3176.4177.961000111.4L563 I564 P591 F763 M764 L770 S771L563-L767 HydrophobicContact CD1-CD2 4.25Å; L563-L767 HydrophobicContact CD2-CD1 4.04Å; L563-L767 HydrophobicContact CD2-CD2 3.87Å; L563-L767 HydrophobicContact CG-CD1 3.81Å; L563-L767 HydrophobicContact CG-CD2 4.04Å; I564-L767 HydrophobicContact CG1-CD1 3.93Å; P591-L767 HydrophobicContact CB-CD2 3.75Å; P591-L767 HydrophobicContact CG-CD2 4.1Å; F763-L767 HydrophobicContact CE1-CD2 4.43Å; F763-L767 WeakPolarHBondContact O-CB 3.35Å; F763-L767 PolarHBondContact O-N 3.42Å; M764-L767 PolarHBondContact O-N 3.16Å; M764-L767 HydrophobicContact SD-CD2 4.12Å; L767-L770 PolarHBondContact O-N 2.85Å; L767-S771 VanDerWaalsContact O-CB 3.3Å; L767-S771 WeakPolarHBondContact O-CB 3.48Å; L767-S771 PolarHBondContact O-N 3.1Å; L767-S771 PolarHBondContact O-OG 3.14Å
768K95.2Very high85.8Confident70 Ų7061.9 Ų61.930%0.30435%0.353SS..Hα-helixtrans-59.3-49176.9-72.7176.3-178.6-171.20111.2P578 F581 M764 E765 H766 L770 S771 V772P578-K768 HydrophobicContact CB-CB 4.12Å; F581-K768 HydrophobicContact CB-CB 4.38Å; F581-K768 HydrophobicContact CB-CD 4.4Å; F581-K768 HydrophobicContact CB-CG 3.99Å; F581-K768 HydrophobicContact CD1-CD 4.4Å; F581-K768 HydrophobicContact CD1-CG 3.69Å; F581-K768 HydrophobicContact CE1-CG 4.45Å; F581-K768 HydrophobicContact CG-CG 3.98Å; M764-K768 WeakPolarHBondContact O-CB 3.45Å; M764-K768 WeakPolarHBondContact O-CG 2.7Å; M764-K768 PolarHBondContact O-N 3.13Å; E765-K768 PolarHBondContact O-N 3.04Å; H766-K768 PolarHBondContact O-N 2.8Å; K768-L770 VanDerWaalsContact C-N 3.3Å; K768-L770 PolarHBondContact O-N 3.49Å; K768-S771 PolarHBondContact O-N 3.11Å; K768-S771 VanDerWaalsContact O-N 3.16Å; K768-V772 WeakPolarHBondContact O-CG1 3.49Å; K768-V772 WeakPolarHBondContact O-CG2 3.36Å; K768-V772 PolarHBondContact O-N 3.16Å; K768-V772 VanDerWaalsContact O-N 3.13Å
769K94.7Very high86Confident109 Ų10961.6 Ų61.647%0.47435%0.35SS..Hα-helixtrans-55.8-42.6177.2-74.6170.2-177.2170.10112.6P578 E765 H766 S773P578-K769 HydrophobicContact CB-CG 4.23Å; P578-K769 HydrophobicContact CG-CG 3.84Å; E765-K769 VanDerWaalsContact O-CG 3.3Å; E765-K769 WeakPolarHBondContact O-CG 3.48Å; E765-K769 PolarHBondContact O-N 2.63Å; H766-K769 PolarHBondContact O-N 3.42Å; K769-S773 WeakPolarHBondContact O-CB 3.01Å
770L94.4Very high85.8Confident88 Ų8864.2 Ų64.246%0.46136%0.363SS..Hα-helixtrans-76.9-28.5179.2-66.4175.3000113.2I564 Q568 H766 L767 K768 S773I564-L770 HydrophobicContact CD1-CB 4.14Å; I564-L770 HydrophobicContact CD1-CD1 3.74Å; I564-L770 HydrophobicContact CG1-CB 4.28Å; I564-L770 HydrophobicContact CG2-CB 4.43Å; Q568-L770 PolarHBondContact NE2-O 3.2Å; H766-L770 WeakPolarHBondContact O-CG 3.46Å; H766-L770 PolarHBondContact O-N 3.36Å; L767-L770 PolarHBondContact O-N 2.85Å; K768-L770 VanDerWaalsContact C-N 3.3Å; K768-L770 PolarHBondContact O-N 3.49Å; L770-S773 PolarHBondContact O-OG 3.01Å
771S92.1Very high85.4Confident1 Ų166.3 Ų66.31%0.00738%0.376CS..Hα-helixtrans-75.2-32.4-179.1-57.40000112.3C567 Q568 F573 L767 K768C567-S771 VanDerWaalsContact CB-OG 3.22Å; C567-S771 WeakPolarHBondContact CB-OG 3.33Å; Q568-S771 VanDerWaalsContact CG-O 3.25Å; Q568-S771 WeakPolarHBondContact CG-O 3.38Å; F573-S771 WeakPolarHBondContact CZ-O 3.3Å; L767-S771 VanDerWaalsContact O-CB 3.3Å; L767-S771 WeakPolarHBondContact O-CB 3.48Å; L767-S771 PolarHBondContact O-N 3.1Å; L767-S771 PolarHBondContact O-OG 3.14Å; K768-S771 PolarHBondContact O-N 3.11Å; K768-S771 VanDerWaalsContact O-N 3.16Å
772V92.7Very high85Confident4 Ų464.5 Ų64.52%0.02437%0.372CS..Hα-helixtrans-90.2-10.8-179.2-53.70000114.2F573 D576 P578 F581 K768F573-V772 HydrophobicContact CB-CG1 3.6Å; F573-V772 HydrophobicContact CD2-CB 3.94Å; F573-V772 HydrophobicContact CD2-CG1 3.77Å; F573-V772 HydrophobicContact CE2-CB 4.49Å; F573-V772 HydrophobicContact CG-CB 4.41Å; F573-V772 HydrophobicContact CG-CG1 3.72Å; D576-V772 PolarHBondContact N-O 2.98Å; P578-V772 HydrophobicContact CB-CG2 4.45Å; P578-V772 HydrophobicContact CG-CG2 3.91Å; F581-V772 HydrophobicContact CB-CG1 4.24Å; F581-V772 HydrophobicContact CD2-CG1 4.29Å; K768-V772 WeakPolarHBondContact O-CG1 3.49Å; K768-V772 WeakPolarHBondContact O-CG2 3.36Å; K768-V772 PolarHBondContact O-N 3.16Å; K768-V772 VanDerWaalsContact O-N 3.13Å
773S88.5Confident84.6Confident35 Ų3564.9 Ų64.925%0.24537%0.373CS..SBendtrans-79.8150.5-175.5710000112K769 L770 S775K769-S773 WeakPolarHBondContact O-CB 3.01Å; L770-S773 PolarHBondContact O-OG 3.01Å; S773-S775 PolarHBondContact O-N 3.47Å
774S58.8Low83.9Confident74 Ų7468.1 Ų68.152%0.51739%0.394SS..SBendtrans-67.620.4-173.4-51.70000116K575K575-S774 WeakPolarHBondContact CE-OG 3.44Å; K575-S774 PolarHBondContact NZ-OG 3.17Å
775S54Low83Confident104 Ų10470 Ų7073%0.72741%0.408SS*.  trans-114.846.5-165.3-48.60000113.8S773S773-S775 PolarHBondContact O-N 3.47Å
776A43.2Very low82Confident134 Ų13466.7 Ų66.7100%1.10740%0.4SS*.  trans-148.80160.900000111.7

Retrieved 776 of 776 residues in 540.7 ms (Link to these results)

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