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Isoform 2 of Phosphoethanolamine N-methyltransferase 2 AlphaSync

Catalyzes the N-methylation of phosphoethanolamine to phosphomonomethylethanolamine in vitro.

AlphaFold DB , UniProt , Accession Q944H0-2 (canonical: Q944H0), Species ARATH (Arabidopsis thaliana, Mouse-ear cress), Gene NMT2, Length 475 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
1M75Confident81.8Confident181 Ų18175.7 Ų75.789%0.89241%0.408SS*.  0-62.60-74.6-160.3-81.600112.6H3 S4 I68M1-H3 PolarHBondContact O-N 3.44Å; M1-S4 PolarHBondContact O-N 3.49Å; M1-S4 VanDerWaalsContact O-N 3.08Å; M1-I68 HydrophobicContact CG-CD1 4.09Å
2E80.4Confident81.9Confident110 Ų11074.6 Ų74.651%0.51440%0.4SS..G310 helixtrans-51.9-51.9-176.2-176.3176.9178.800113.4S4 S5E2-S4 PolarHBondContact O-N 3.36Å; E2-S5 PolarHBondContact O-N 3.12Å; E2-S5 PolarHBondContact O-OG 2.87Å
3H78.8Confident82.2Confident64 Ų6469.8 Ų69.830%0.29637%0.374SS..G310 helixtrans-78.83.5-177.8-58.6-46.9000115.1M1 L14M1-H3 PolarHBondContact O-N 3.44Å; H3-L14 HydrophobicContact CB-CD2 4.01Å; H3-L14 WeakPolarHBondContact ND1-CD2 3.34Å
4S74.6Confident82.6Confident34 Ų3465.9 Ų65.924%0.23835%0.353CS..G310 helixtrans-109.84.6177.1-46.70000112.2M1 E2 D6 L7M1-S4 PolarHBondContact O-N 3.49Å; M1-S4 VanDerWaalsContact O-N 3.08Å; E2-S4 PolarHBondContact O-N 3.36Å; S4-D6 VanDerWaalsContact C-N 3.34Å; S4-D6 PolarHBondContact O-N 2.96Å; S4-L7 VanDerWaalsContact O-CD2 3.24Å; S4-L7 WeakPolarHBondContact O-CD2 3.35Å; S4-L7 WeakPolarHBondContact O-CG 3.27Å
5S78.1Confident83Confident84 Ų8462.1 Ų62.159%0.58733%0.332SS*.SBendtrans-62.8-40.5-178.459.90000112.6E2E2-S5 PolarHBondContact O-N 3.12Å; E2-S5 PolarHBondContact O-OG 2.87Å
6D81.9Confident83.4Confident115 Ų11563.9 Ų63.962%0.61535%0.351SS*.SBendtrans-88.7-14.5-170.7-60.5-5000111.9S4 T8 A11S4-D6 VanDerWaalsContact C-N 3.34Å; S4-D6 PolarHBondContact O-N 2.96Å; D6-T8 WeakPolarHBondContact O-CG2 3.4Å; D6-T8 PolarHBondContact O-N 2.98Å; D6-A11 HydrophobicContact CB-CB 4.06Å
7L87.6Confident83.8Confident49 Ų4967.1 Ų67.126%0.25736%0.361SS..  trans51.338.5177.9-61173.3000113.5S4 I48 A71 K74S4-L7 VanDerWaalsContact O-CD2 3.24Å; S4-L7 WeakPolarHBondContact O-CD2 3.35Å; S4-L7 WeakPolarHBondContact O-CG 3.27Å; L7-I48 HydrophobicContact CB-CG2 4.24Å; L7-I48 HydrophobicContact CD2-CG2 3.97Å; L7-I48 WeakPolarHBondContact O-CD1 3.04Å; L7-A71 HydrophobicContact CD2-CB 4.26Å; L7-K74 HydrophobicContact CB-CG 4.44Å; L7-K74 HydrophobicContact CD1-CB 4.35Å
8T88.6Confident84.1Confident55 Ų5563.5 Ų63.534%0.33734%0.342SS..SBendtrans-114.7164176.465.80000112.2D6 E10 A11 M12D6-T8 WeakPolarHBondContact O-CG2 3.4Å; D6-T8 PolarHBondContact O-N 2.98Å; T8-E10 VanDerWaalsContact C-N 3.28Å; T8-E10 WeakPolarHBondContact CB-OE2 3.49Å; T8-A11 PolarHBondContact O-N 2.76Å; T8-A11 WeakPolarHBondContact OG1-CB 3.21Å; T8-A11 PolarHBondContact OG1-N 2.81Å; T8-A11 VanDerWaalsContact OG1-N 3.13Å; T8-M12 PolarHBondContact O-N 3.42Å
9V83Confident84.4Confident28 Ų2862.8 Ų62.817%0.1734%0.343CS..Hα-helixtrans-64.7-37.7173.6175.10000110.2A11 M12 M13 D22 I48V9-A11 PolarHBondContact O-N 3.26Å; V9-M12 HydrophobicContact CG2-CE 4.44Å; V9-M12 PolarHBondContact O-N 3.15Å; V9-M13 HydrophobicContact CG1-CG 3.85Å; V9-M13 WeakPolarHBondContact O-CB 3.49Å; V9-M13 WeakPolarHBondContact O-CG 3.41Å; V9-M13 PolarHBondContact O-N 3.16Å; V9-D22 HydrophobicContact CG1-CB 4.13Å; V9-I48 HydrophobicContact CG2-CD1 4.29Å
10E86.2Confident84.7Confident97 Ų9764 Ų6445%0.45335%0.348SS..Hα-helixtrans-60-44177.7-65.972.6-164.100112T8 M12 M13 L14 A18T8-E10 VanDerWaalsContact C-N 3.28Å; T8-E10 WeakPolarHBondContact CB-OE2 3.49Å; E10-M12 VanDerWaalsContact C-N 3.31Å; E10-M12 PolarHBondContact O-N 3.29Å; E10-M13 PolarHBondContact O-N 2.93Å; E10-L14 PolarHBondContact O-N 2.78Å; E10-A18 HydrophobicContact CB-CB 4.3Å; E10-A18 HydrophobicContact CG-CB 4.14Å
11A85.1Confident85.1Confident16 Ų1661 Ų6113%0.13233%0.332CS..Hα-helixtrans-65.5-34.8178.600000112.5D6 T8 V9 L14D6-A11 HydrophobicContact CB-CB 4.06Å; T8-A11 PolarHBondContact O-N 2.76Å; T8-A11 WeakPolarHBondContact OG1-CB 3.21Å; T8-A11 PolarHBondContact OG1-N 2.81Å; T8-A11 VanDerWaalsContact OG1-N 3.13Å; V9-A11 PolarHBondContact O-N 3.26Å; A11-L14 WeakPolarHBondContact O-CD2 3.45Å
12M84Confident86Confident62 Ų6253.1 Ų53.131%0.30529%0.294SS..Hα-helixtrans-72.5-45.3176.4-176.1-159.7-11.500112.4T8 V9 E10 L14 I48 R50T8-M12 PolarHBondContact O-N 3.42Å; V9-M12 HydrophobicContact CG2-CE 4.44Å; V9-M12 PolarHBondContact O-N 3.15Å; E10-M12 VanDerWaalsContact C-N 3.31Å; E10-M12 PolarHBondContact O-N 3.29Å; M12-L14 VanDerWaalsContact C-N 3.27Å; M12-L14 PolarHBondContact O-N 2.89Å; M12-I48 HydrophobicContact CE-CG1 4.23Å; M12-R50 HydrophobicContact CE-CB 4.26Å
13M85.6Confident86.6Confident13 Ų1354 Ų546%0.06430%0.296CS..Hα-helixtrans-72.2-21.7-173.8-69.3-71.8-75.300112.7V9 E10 D15 A18 L21 D22 W111 Y196V9-M13 HydrophobicContact CG1-CG 3.85Å; V9-M13 WeakPolarHBondContact O-CB 3.49Å; V9-M13 WeakPolarHBondContact O-CG 3.41Å; V9-M13 PolarHBondContact O-N 3.16Å; E10-M13 PolarHBondContact O-N 2.93Å; M13-D15 PolarHBondContact O-N 3.3Å; M13-A18 HydrophobicContact CB-CB 3.55Å; M13-A18 HydrophobicContact CG-CB 4.01Å; M13-L21 HydrophobicContact CE-CB 3.83Å; M13-D22 HydrophobicContact CE-CB 4.48Å; M13-W111 HydrophobicContact CE-CH2 3.92Å; M13-W111 HydrophobicContact SD-CH2 3.43Å; M13-W111 WeakPolarHBondContact SD-CH2 3.44Å; M13-W111 HydrophobicContact SD-CZ3 3.49Å; M13-W111 WeakPolarHBondContact SD-CZ3 3.37Å; M13-Y196 WeakPolarHBondContact CE-OH 3.46Å
14L87.4Confident87.3Confident15 Ų1554.5 Ų54.58%0.07930%0.298CS..THydrogen-bonded Turntrans52.938.8178.9-59.8172.3000112.6H3 E10 A11 M12 G149 D150 S151 R153H3-L14 HydrophobicContact CB-CD2 4.01Å; H3-L14 WeakPolarHBondContact ND1-CD2 3.34Å; E10-L14 PolarHBondContact O-N 2.78Å; A11-L14 WeakPolarHBondContact O-CD2 3.45Å; M12-L14 VanDerWaalsContact C-N 3.27Å; M12-L14 PolarHBondContact O-N 2.89Å; L14-G149 CarbonylContact O-C 3.54Å; L14-G149 VanDerWaalsContact O-CA 3.26Å; L14-G149 WeakPolarHBondContact O-CA 3.27Å; L14-D150 PolarHBondContact O-N 3.17Å; L14-S151 VanDerWaalsContact O-CB 3.23Å; L14-S151 WeakPolarHBondContact O-CB 3.33Å; L14-S151 PolarHBondContact O-N 3.41Å; L14-S151 PolarHBondContact O-OG 2.84Å; L14-R153 VanDerWaalsContact CD1-CZ 3.49Å; L14-R153 VanDerWaalsContact CD1-NH2 3.31Å
15D89.3Confident88.3Confident9 Ų952.9 Ų52.95%0.04829%0.287CS..SBendtrans-139.2137.4-174.6-154.5-92.2000112.7M13 K17 A18 L21 G149 D150 S151 K200M13-D15 PolarHBondContact O-N 3.3Å; D15-K17 PolarHBondContact O-N 3.44Å; D15-K17 PolarHBondContact OD1-N 2.82Å; D15-A18 VanDerWaalsContact O-CB 3.3Å; D15-A18 WeakPolarHBondContact O-CB 3.31Å; D15-A18 PolarHBondContact O-N 3.48Å; D15-A18 VanDerWaalsContact O-N 3.11Å; D15-L21 HydrophobicContact CB-CD1 4.1Å; D15-L21 WeakPolarHBondContact OD1-CD1 3.41Å; D15-G149 WeakPolarHBondContact OD2-CA 3.46Å; D15-D150 WeakPolarHBondContact CA-OD1 3.27Å; D15-D150 PolarHBondContact OD2-N 3.09Å; D15-S151 PolarHBondContact N-OG 3.34Å; D15-K200 VanDerWaalsContact CG-NZ 3.26Å; D15-K200 IonicContact OD1-NZ 3.13Å; D15-K200 PolarHBondContact OD1-NZ 3.48Å; D15-K200 WeakPolarHBondContact OD2-CE 3.36Å; D15-K200 IonicContact OD2-NZ 2.74Å; D15-K200 PolarHBondContact OD2-NZ 2.88Å
16S89.1Confident89.1Confident91 Ų9151.9 Ų51.964%0.63627%0.27SS*.THydrogen-bonded Turntrans-62.1-22.1176.869.30000113.5D150S16-D150 WeakPolarHBondContact CB-OD2 3.37Å; S16-D150 PolarHBondContact N-OD1 3.46Å; S16-D150 PolarHBondContact OG-OD2 3.29Å
17K90Very high89.8Confident118 Ų11850 Ų5051%0.51326%0.264SS..THydrogen-bonded Turntrans-11026.9176.8-62.3-172.6177.5-175.20112.8D15 S19 D20 L21D15-K17 PolarHBondContact O-N 3.44Å; D15-K17 PolarHBondContact OD1-N 2.82Å; K17-S19 VanDerWaalsContact C-N 3.29Å; K17-S19 PolarHBondContact O-N 3.39Å; K17-D20 PolarHBondContact O-N 3.5Å; K17-D20 VanDerWaalsContact O-N 3.1Å; K17-L21 PolarHBondContact O-N 2.87Å
18A88.9Confident90.1Very high2 Ų249.3 Ų49.32%0.01726%0.26CS..Hα-helixtrans-49.4-45.1-176.100000114E10 M13 D15 D20 L21 D22E10-A18 HydrophobicContact CB-CB 4.3Å; E10-A18 HydrophobicContact CG-CB 4.14Å; M13-A18 HydrophobicContact CB-CB 3.55Å; M13-A18 HydrophobicContact CG-CB 4.01Å; D15-A18 VanDerWaalsContact O-CB 3.3Å; D15-A18 WeakPolarHBondContact O-CB 3.31Å; D15-A18 PolarHBondContact O-N 3.48Å; D15-A18 VanDerWaalsContact O-N 3.11Å; A18-D20 PolarHBondContact O-N 2.94Å; A18-L21 PolarHBondContact O-N 3.1Å; A18-D22 WeakPolarHBondContact O-CB 3.42Å; A18-D22 PolarHBondContact O-N 2.86Å
19S89.8Confident90.5Very high51 Ų5146.7 Ų46.736%0.35724%0.244SC..Hα-helixtrans-63.6-40.8-179.4-172.50000113K17 K23K17-S19 VanDerWaalsContact C-N 3.29Å; K17-S19 PolarHBondContact O-N 3.39Å; S19-K23 VanDerWaalsContact O-CG 3.26Å; S19-K23 WeakPolarHBondContact O-CG 3.33Å; S19-K23 PolarHBondContact O-N 2.92Å
20D91.2Very high91.2Very high85 Ų8547 Ų4746%0.45524%0.244SC..Hα-helixtrans-75.2-40-179.9-65-29.6000111.2K17 A18 K23 E24K17-D20 PolarHBondContact O-N 3.5Å; K17-D20 VanDerWaalsContact O-N 3.1Å; A18-D20 PolarHBondContact O-N 2.94Å; D20-K23 PolarHBondContact O-N 2.94Å; D20-K23 IonicContact OD1-NZ 3.7Å; D20-E24 PolarHBondContact O-N 3.46Å
21L91.9Very high91.6Very high1 Ų146.6 Ų46.61%0.00525%0.252CS..Hα-helixtrans-59.7-49.3173.8-78.6171.9000110.9M13 D15 K17 A18 K23 E24 E25 Y196 N199 K200M13-L21 HydrophobicContact CE-CB 3.83Å; D15-L21 HydrophobicContact CB-CD1 4.1Å; D15-L21 WeakPolarHBondContact OD1-CD1 3.41Å; K17-L21 PolarHBondContact O-N 2.87Å; A18-L21 PolarHBondContact O-N 3.1Å; L21-K23 VanDerWaalsContact C-N 3.33Å; L21-K23 PolarHBondContact O-N 3.46Å; L21-E24 PolarHBondContact O-N 2.94Å; L21-E25 WeakPolarHBondContact O-CB 3.35Å; L21-E25 PolarHBondContact O-N 3.15Å; L21-Y196 HydrophobicContact CD1-CE1 4.33Å; L21-Y196 HydrophobicContact CD2-CE1 4.49Å; L21-Y196 HydrophobicContact CD2-CE2 4.44Å; L21-N199 HydrophobicContact CD2-CB 3.6Å; L21-K200 HydrophobicContact CD2-CG 4.47Å
22D93.6Very high92Very high16 Ų1647.4 Ų47.49%0.08625%0.254CS..Hα-helixtrans-61.7-37.7-179175.252.2000112.7V9 M13 A18 E24 R26 R50V9-D22 HydrophobicContact CG1-CB 4.13Å; M13-D22 HydrophobicContact CE-CB 4.48Å; A18-D22 WeakPolarHBondContact O-CB 3.42Å; A18-D22 PolarHBondContact O-N 2.86Å; D22-E24 VanDerWaalsContact C-N 3.31Å; D22-E24 PolarHBondContact O-N 3.21Å; D22-R26 VanDerWaalsContact CG-NH2 3.27Å; D22-R26 WeakPolarHBondContact O-CB 3.31Å; D22-R26 PolarHBondContact O-N 3.21Å; D22-R26 IonicContact OD1-CZ 3.43Å; D22-R26 IonicContact OD1-NE 2.88Å; D22-R26 PolarHBondContact OD1-NE 3.26Å; D22-R26 IonicContact OD1-NH2 3.15Å; D22-R26 PolarHBondContact OD1-NH2 3.01Å; D22-R26 VanDerWaalsContact OD1-NH2 3.15Å; D22-R26 IonicContact OD2-CZ 3.46Å; D22-R26 IonicContact OD2-NE 3.63Å; D22-R26 IonicContact OD2-NH2 2.62Å; D22-R26 PolarHBondContact OD2-NH2 3.31Å; D22-R50 VanDerWaalsContact OD1-CD 3.22Å; D22-R50 WeakPolarHBondContact OD1-CD 3.22Å; D22-R50 IonicContact OD1-CZ 3.39Å; D22-R50 IonicContact OD1-NE 3.91Å; D22-R50 IonicContact OD1-NH1 2.81Å; D22-R50 PolarHBondContact OD1-NH1 3.12Å
23K93.9Very high92.5Very high130 Ų13045.2 Ų45.257%0.56524%0.243SC*.Hα-helixtrans-62.2-34.7175.5-76.1168-168161.20113.5S19 D20 L21 P27S19-K23 VanDerWaalsContact O-CG 3.26Å; S19-K23 WeakPolarHBondContact O-CG 3.33Å; S19-K23 PolarHBondContact O-N 2.92Å; D20-K23 PolarHBondContact O-N 2.94Å; D20-K23 IonicContact OD1-NZ 3.7Å; L21-K23 VanDerWaalsContact C-N 3.33Å; L21-K23 PolarHBondContact O-N 3.46Å; K23-P27 VanDerWaalsContact O-CD 3.27Å; K23-P27 WeakPolarHBondContact O-CD 3.46Å; K23-P27 WeakPolarHBondContact O-CG 3.38Å
24E93.8Very high93Very high73 Ų7345.1 Ų45.134%0.34124%0.244SC..Hα-helixtrans-89.8-42.5-179.4-65.3-166.7173.500112.2D20 L21 D22 A195 K198 N199D20-E24 PolarHBondContact O-N 3.46Å; L21-E24 PolarHBondContact O-N 2.94Å; D22-E24 VanDerWaalsContact C-N 3.31Å; D22-E24 PolarHBondContact O-N 3.21Å; E24-A195 HydrophobicContact CB-CB 3.91Å; E24-K198 VanDerWaalsContact CD-NZ 3.28Å; E24-K198 IonicContact OE1-NZ 3.72Å; E24-K198 PolarHBondContact OE1-NZ 2.94Å; E24-K198 IonicContact OE2-NZ 3.85Å; E24-K198 PolarHBondContact OE2-NZ 3.21Å; E24-K198 VanDerWaalsContact OE2-NZ 3.12Å; E24-N199 PolarHBondContact OE2-ND2 2.79Å
25E95.1Very high93.4Very high0 Ų049.2 Ų49.20%027%0.271CS..Hα-helixtrans-77.3-38.6-174175.1-121.2163.600112.5L21 E28 V29 R50 R141 I193 A195 Y196L21-E25 WeakPolarHBondContact O-CB 3.35Å; L21-E25 PolarHBondContact O-N 3.15Å; E25-E28 WeakPolarHBondContact O-CB 3.38Å; E25-E28 PolarHBondContact O-N 2.83Å; E25-E28 VanDerWaalsContact O-N 3.16Å; E25-V29 HydrophobicContact CG-CG2 4.05Å; E25-V29 WeakPolarHBondContact O-CG2 3.4Å; E25-V29 PolarHBondContact O-N 2.92Å; E25-R50 IonicContact OE1-CZ 3.42Å; E25-R50 IonicContact OE1-NH1 3.72Å; E25-R50 IonicContact OE1-NH2 3.28Å; E25-R50 PolarHBondContact OE1-NH2 2.62Å; E25-R50 IonicContact OE2-CZ 3.86Å; E25-R50 IonicContact OE2-NH1 2.7Å; E25-R50 PolarHBondContact OE2-NH1 3.18Å; E25-R50 IonicContact OE2-NH2 2.78Å; E25-R50 PolarHBondContact OE2-NH2 3.09Å; E25-R50 VanDerWaalsContact OE2-NH2 3.15Å; E25-R141 IonicContact OE1-CZ 3.21Å; E25-R141 IonicContact OE1-NH1 2.78Å; E25-R141 PolarHBondContact OE1-NH1 3.19Å; E25-R141 IonicContact OE1-NH2 3.5Å; E25-I193 HydrophobicContact CG-CG2 3.87Å; E25-A195 HydrophobicContact CB-CB 3.8Å; E25-Y196 HydrophobicContact CB-CE2 4.22Å; E25-Y196 HydrophobicContact CG-CD2 4.22Å; E25-Y196 HydrophobicContact CG-CE2 3.79Å
26R95.5Very high93.8Very high63 Ų6349.2 Ų49.224%0.23827%0.271CS..Hα-helixtrans-61.5-47.5-176.1-170.6-161.6-58.9-163.71.2112.4D22 E28 V29 L30 R50 F51D22-R26 VanDerWaalsContact CG-NH2 3.27Å; D22-R26 WeakPolarHBondContact O-CB 3.31Å; D22-R26 PolarHBondContact O-N 3.21Å; D22-R26 IonicContact OD1-CZ 3.43Å; D22-R26 IonicContact OD1-NE 2.88Å; D22-R26 PolarHBondContact OD1-NE 3.26Å; D22-R26 IonicContact OD1-NH2 3.15Å; D22-R26 PolarHBondContact OD1-NH2 3.01Å; D22-R26 VanDerWaalsContact OD1-NH2 3.15Å; D22-R26 IonicContact OD2-CZ 3.46Å; D22-R26 IonicContact OD2-NE 3.63Å; D22-R26 IonicContact OD2-NH2 2.62Å; D22-R26 PolarHBondContact OD2-NH2 3.31Å; R26-E28 VanDerWaalsContact C-N 3.3Å; R26-E28 PolarHBondContact O-N 3.13Å; R26-V29 PolarHBondContact O-N 2.84Å; R26-L30 HydrophobicContact CG-CD1 4.39Å; R26-L30 WeakPolarHBondContact O-CG 3.2Å; R26-L30 PolarHBondContact O-N 3.31Å; R26-L30 VanDerWaalsContact O-N 3.07Å; R26-R50 VanDerWaalsContact CZ-CG 3.49Å; R26-R50 PolarHBondContact NH1-O 2.72Å; R26-F51 HydrophobicContact CB-CE1 4.2Å; R26-F51 HydrophobicContact CG-CD1 3.84Å; R26-F51 HydrophobicContact CG-CE1 3.42Å; R26-F51 VanDerWaalsContact CG-CE1 3.42Å; R26-F51 HydrophobicContact CG-CZ 4.13Å
27P96.3Very high94.3Very high76 Ų7652 Ų5249%0.49427%0.274SS..Hα-helixtrans-63.4-36.1174-20.934.2000112.6K23 L30 S31K23-P27 VanDerWaalsContact O-CD 3.27Å; K23-P27 WeakPolarHBondContact O-CD 3.46Å; K23-P27 WeakPolarHBondContact O-CG 3.38Å; P27-L30 PolarHBondContact O-N 2.88Å; P27-S31 WeakPolarHBondContact O-CB 3.26Å; P27-S31 PolarHBondContact O-N 2.85Å
28E94.9Very high94.7Very high35 Ų3549.2 Ų49.216%0.16428%0.279CS..Hα-helixtrans-61.5-52.1176.1-175.8179.1-174.400110.9E25 R26 L30 S31 L32 K191 I193 G194 A195E25-E28 WeakPolarHBondContact O-CB 3.38Å; E25-E28 PolarHBondContact O-N 2.83Å; E25-E28 VanDerWaalsContact O-N 3.16Å; R26-E28 VanDerWaalsContact C-N 3.3Å; R26-E28 PolarHBondContact O-N 3.13Å; E28-L30 VanDerWaalsContact C-N 3.33Å; E28-L30 PolarHBondContact O-N 3.18Å; E28-S31 WeakPolarHBondContact O-CB 3.34Å; E28-S31 PolarHBondContact O-N 3.48Å; E28-S31 PolarHBondContact O-OG 2.99Å; E28-L32 HydrophobicContact CG-CD1 4.32Å; E28-L32 WeakPolarHBondContact O-CG 3.43Å; E28-L32 PolarHBondContact O-N 3.47Å; E28-K191 IonicContact OE1-NZ 2.75Å; E28-I193 VanDerWaalsContact OE2-CG2 3.3Å; E28-I193 WeakPolarHBondContact OE2-CG2 3.3Å; E28-G194 VanDerWaalsContact CD-N 3.3Å; E28-G194 WeakPolarHBondContact OE1-CA 3.48Å; E28-G194 PolarHBondContact OE1-N 2.8Å; E28-G194 PolarHBondContact OE2-N 2.82Å; E28-G194 VanDerWaalsContact OE2-N 3.13Å; E28-A195 WeakPolarHBondContact OE2-CB 3.34Å; E28-A195 PolarHBondContact OE2-N 2.86Å
29V96.4Very high95.1Very high0 Ų053.3 Ų53.30%030%0.296CS..Hα-helixtrans-57-47.6178.41710000110.3E25 R26 S31 L32 I33 F51 F108 F139 I193E25-V29 HydrophobicContact CG-CG2 4.05Å; E25-V29 WeakPolarHBondContact O-CG2 3.4Å; E25-V29 PolarHBondContact O-N 2.92Å; R26-V29 PolarHBondContact O-N 2.84Å; V29-S31 PolarHBondContact O-N 2.86Å; V29-L32 PolarHBondContact O-N 3.07Å; V29-I33 VanDerWaalsContact O-CG1 3.25Å; V29-I33 WeakPolarHBondContact O-CG1 3.34Å; V29-I33 PolarHBondContact O-N 3.43Å; V29-F51 HydrophobicContact CB-CE1 3.93Å; V29-F51 HydrophobicContact CB-CZ 4.05Å; V29-F51 HydrophobicContact CG1-CE1 3.82Å; V29-F51 HydrophobicContact CG1-CZ 3.85Å; V29-F51 HydrophobicContact CG2-CZ 4.44Å; V29-F108 HydrophobicContact CG1-CE2 3.81Å; V29-F108 HydrophobicContact CG1-CZ 3.97Å; V29-F139 HydrophobicContact CG1-CE1 4.05Å; V29-F139 HydrophobicContact CG1-CZ 4.04Å; V29-I193 HydrophobicContact CG2-CD1 4.22Å
30L96.8Very high95.6Very high33 Ų3351.4 Ų51.417%0.17328%0.283CS..Hα-helixtrans-59.7-33177.6-72.3170.1000113.3R26 P27 E28 L32 I33 F51 E54R26-L30 HydrophobicContact CG-CD1 4.39Å; R26-L30 WeakPolarHBondContact O-CG 3.2Å; R26-L30 PolarHBondContact O-N 3.31Å; R26-L30 VanDerWaalsContact O-N 3.07Å; P27-L30 PolarHBondContact O-N 2.88Å; E28-L30 VanDerWaalsContact C-N 3.33Å; E28-L30 PolarHBondContact O-N 3.18Å; L30-L32 VanDerWaalsContact C-N 3.3Å; L30-I33 HydrophobicContact CD2-CD1 3.88Å; L30-F51 HydrophobicContact CD2-CD1 3.91Å; L30-F51 HydrophobicContact CG-CD1 3.98Å; L30-F51 HydrophobicContact CG-CE1 4.27Å; L30-E54 HydrophobicContact CD1-CB 3.86Å; L30-E54 HydrophobicContact CD1-CG 3.83Å; L30-E54 HydrophobicContact CD2-CB 4.03Å
31S94.7Very high95.9Very high90 Ų9047.4 Ų47.463%0.62926%0.261SS*.Hα-helixtrans-73.4-20.1177.277.70000113.9P27 E28 V29P27-S31 WeakPolarHBondContact O-CB 3.26Å; P27-S31 PolarHBondContact O-N 2.85Å; E28-S31 WeakPolarHBondContact O-CB 3.34Å; E28-S31 PolarHBondContact O-N 3.48Å; E28-S31 PolarHBondContact O-OG 2.99Å; V29-S31 PolarHBondContact O-N 2.86Å
32L93Very high96.3Very high32 Ų3247.3 Ų47.317%0.16826%0.261CS..Hα-helixtrans-91-13.7179.5-63.6174.4000113E28 V29 L30 F139 K191 I193 I209E28-L32 HydrophobicContact CG-CD1 4.32Å; E28-L32 WeakPolarHBondContact O-CG 3.43Å; E28-L32 PolarHBondContact O-N 3.47Å; V29-L32 PolarHBondContact O-N 3.07Å; L30-L32 VanDerWaalsContact C-N 3.3Å; L32-F139 HydrophobicContact CB-CE2 3.94Å; L32-K191 HydrophobicContact CD1-CD 3.85Å; L32-K191 HydrophobicContact CD1-CG 4.41Å; L32-K191 HydrophobicContact CD2-CD 3.69Å; L32-K191 HydrophobicContact CG-CD 4.42Å; L32-I193 HydrophobicContact CD1-CD1 3.97Å; L32-I209 WeakPolarHBondContact O-CD1 3.23Å
33I95.7Very high96.5Very high16 Ų1646.8 Ų46.88%0.08226%0.258CS..SBendtrans-68.5131.9-178.9-49.8-176.2000109.6V29 L30 Y36 L55 L106 F108V29-I33 VanDerWaalsContact O-CG1 3.25Å; V29-I33 WeakPolarHBondContact O-CG1 3.34Å; V29-I33 PolarHBondContact O-N 3.43Å; L30-I33 HydrophobicContact CD2-CD1 3.88Å; I33-Y36 HydrophobicContact CB-CD1 4.29Å; I33-Y36 HydrophobicContact CB-CE1 4.1Å; I33-Y36 HydrophobicContact CD1-CE1 4.5Å; I33-Y36 HydrophobicContact CG2-CD1 3.67Å; I33-Y36 HydrophobicContact CG2-CE1 3.88Å; I33-L55 HydrophobicContact CD1-CD2 4.01Å; I33-L106 HydrophobicContact CG2-CD1 4.08Å; I33-L106 HydrophobicContact CG2-CD2 3.28Å; I33-L106 HydrophobicContact CG2-CG 4.32Å; I33-F108 HydrophobicContact CD1-CD2 3.79Å; I33-F108 HydrophobicContact CD1-CE2 3.63Å; I33-F108 HydrophobicContact CD1-CZ 4.26Å; I33-F108 HydrophobicContact CG1-CD2 4.27Å; I33-F108 HydrophobicContact CG1-CE2 4.17Å
34P95.8Very high96.8Very high11 Ų1140.7 Ų40.77%0.07123%0.231CC..PPolyproline II helixtrans-55.6159.6174.2-28.737.6000113.5Y36 Y137 I209P34-Y36 VanDerWaalsContact O-CD1 3.28Å; P34-Y36 WeakPolarHBondContact O-CD1 3.27Å; P34-Y36 PolarHBondContact O-N 3.45Å; P34-Y36 VanDerWaalsContact O-N 3.11Å; P34-Y137 HydrophobicContact CB-CD1 3.73Å; P34-Y137 HydrophobicContact CB-CD2 3.63Å; P34-Y137 HydrophobicContact CB-CE1 4.08Å; P34-Y137 HydrophobicContact CB-CE2 4Å; P34-Y137 HydrophobicContact CB-CG 3.49Å; P34-Y137 VanDerWaalsContact CB-CG 3.49Å; P34-Y137 HydrophobicContact CG-CD1 3.66Å; P34-Y137 HydrophobicContact CG-CD2 4.33Å; P34-Y137 HydrophobicContact CG-CE1 4.31Å; P34-Y137 HydrophobicContact CG-CG 3.67Å; P34-I209 HydrophobicContact CG-CG2 3.38Å
35P96Very high97Very high101 Ų10138.5 Ų38.566%0.65623%0.228SC*.PPolyproline II helixtrans-55.1117.4-178.7-26.335000113.8K39P35-K39 WeakPolarHBondContact O-CD 3.44Å; P35-K39 VanDerWaalsContact O-CE 3.28Å; P35-K39 WeakPolarHBondContact O-CE 3.43Å
36Y98.3Very high97.1Very high9 Ų938.8 Ų38.84%0.03523%0.231CC..  trans-128.65.6-17768.2-92.4000114.8I33 P34 G38 K39 V41 L55 K58 A59 L106I33-Y36 HydrophobicContact CB-CD1 4.29Å; I33-Y36 HydrophobicContact CB-CE1 4.1Å; I33-Y36 HydrophobicContact CD1-CE1 4.5Å; I33-Y36 HydrophobicContact CG2-CD1 3.67Å; I33-Y36 HydrophobicContact CG2-CE1 3.88Å; P34-Y36 VanDerWaalsContact O-CD1 3.28Å; P34-Y36 WeakPolarHBondContact O-CD1 3.27Å; P34-Y36 PolarHBondContact O-N 3.45Å; P34-Y36 VanDerWaalsContact O-N 3.11Å; Y36-G38 PolarHBondContact O-N 3.27Å; Y36-K39 WeakPolarHBondContact O-CB 3.47Å; Y36-K39 PolarHBondContact O-N 3.28Å; Y36-V41 HydrophobicContact CD2-CG2 3.98Å; Y36-V41 HydrophobicContact CG-CG2 4.34Å; Y36-L55 HydrophobicContact CE1-CD2 4.32Å; Y36-L55 HydrophobicContact CE2-CD2 3.93Å; Y36-K58 HydrophobicContact CD2-CB 4.32Å; Y36-K58 HydrophobicContact CE2-CB 3.65Å; Y36-K58 HydrophobicContact CE2-CD 4.4Å; Y36-A59 HydrophobicContact CD2-CB 4.17Å; Y36-L106 HydrophobicContact CD1-CD2 3.97Å; Y36-L106 HydrophobicContact CG-CD2 3.92Å
37E98.4Very high97.2Very high150 Ų15036.3 Ų36.370%0.70123%0.225SC*.THydrogen-bonded Turntrans-61.7127.6179.9-171.3174168.300111.3K39 K58E37-K39 PolarHBondContact O-N 2.9Å; E37-K58 CarbonylContact C-O 3.52Å; E37-K58 VanDerWaalsContact CA-O 3.3Å; E37-K58 WeakPolarHBondContact CA-O 3.37Å
38G98.4Very high97.2Very high60 Ų6034 Ų3462%0.61921%0.208SC*.THydrogen-bonded Turntrans68.77.6-174.600000115.4Y36 K58Y36-G38 PolarHBondContact O-N 3.27Å; G38-K58 PolarHBondContact N-O 3.43Å
39K98.6Very high97.3Very high87 Ų8733 Ų3338%0.37821%0.208SC..SBendtrans-102.1169.2-176.4-55.8-165.7-174.4-770113.4P35 Y36 E37 G60 E61 D105P35-K39 WeakPolarHBondContact O-CD 3.44Å; P35-K39 VanDerWaalsContact O-CE 3.28Å; P35-K39 WeakPolarHBondContact O-CE 3.43Å; Y36-K39 WeakPolarHBondContact O-CB 3.47Å; Y36-K39 PolarHBondContact O-N 3.28Å; E37-K39 PolarHBondContact O-N 2.9Å; K39-G60 PolarHBondContact O-N 3.1Å; K39-E61 PolarHBondContact O-N 3.19Å; K39-D105 HydrophobicContact CB-CB 3.6Å; K39-D105 HydrophobicContact CD-CB 3.78Å; K39-D105 HydrophobicContact CG-CB 4.24Å
40S98.8Very high97.3Very high11 Ų1133.5 Ų33.58%0.07721%0.209CC..EExtended strand (participates in β ladder)trans-85.2126.4174.558.50000111.9S103 I104 D105 L106S40-S103 PolarHBondContact OG-O 3.25Å; S40-I104 WeakPolarHBondContact OG-CA 3.42Å; S40-D105 PolarHBondContact N-OD2 2.78Å; S40-D105 WeakPolarHBondContact O-CB 3.31Å; S40-D105 PolarHBondContact O-N 3.12Å; S40-D105 PolarHBondContact OG-N 3.39Å; S40-D105 VanDerWaalsContact OG-N 3.13Å; S40-D105 PolarHBondContact OG-OD2 3.25Å; S40-D105 VanDerWaalsContact OG-OD2 3.04Å; S40-L106 PolarHBondContact O-N 3.06Å
41V98.9Very high97.4Very high1 Ų132.2 Ų32.21%0.00620%0.202CC..EExtended strand (participates in β ladder)trans-118.9135.7-176.8-176.10000110.6Y36 L55 A59 E61 V62 I63 L106Y36-V41 HydrophobicContact CD2-CG2 3.98Å; Y36-V41 HydrophobicContact CG-CG2 4.34Å; V41-L55 HydrophobicContact CG1-CD1 4.34Å; V41-A59 HydrophobicContact CB-CB 4.37Å; V41-A59 HydrophobicContact CG2-CB 3.65Å; V41-E61 PolarHBondContact N-O 3.11Å; V41-V62 HydrophobicContact CB-CG2 4.4Å; V41-V62 CarbonylContact O-C 3.55Å; V41-V62 WeakPolarHBondContact O-CA 3.43Å; V41-I63 PolarHBondContact O-N 3.22Å; V41-L106 CarbonylContact C-O 3.56Å; V41-L106 VanDerWaalsContact CA-O 3.3Å; V41-L106 WeakPolarHBondContact CA-O 3.48Å; V41-L106 HydrophobicContact CG1-CD2 4.07Å; V41-L106 HydrophobicContact CG1-CG 4.33Å; V41-L106 HydrophobicContact CG2-CB 4.28Å; V41-L106 HydrophobicContact CG2-CD2 4.24Å
42L98.9Very high97.6Very high0 Ų028 Ų280%017%0.172CC..EExtended strand (participates in β ladder)trans-114.8110.5169.6174.165.9000108.9L44 I63 I99 I104 L106 I107 F108 W131L42-L44 HydrophobicContact CD1-CD2 3.84Å; L42-L44 HydrophobicContact CD2-CD1 4.46Å; L42-L44 HydrophobicContact CD2-CD2 3.88Å; L42-L44 HydrophobicContact CD2-CG 4.25Å; L42-L44 HydrophobicContact CG-CD2 3.7Å; L42-L44 HydrophobicContact CG-CG 4.03Å; L42-I63 HydrophobicContact CD1-CB 3.76Å; L42-I63 HydrophobicContact CD1-CG2 3.7Å; L42-I99 HydrophobicContact CD1-CD1 3.76Å; L42-I99 HydrophobicContact CD2-CD1 3.38Å; L42-I99 HydrophobicContact CD2-CG2 4.45Å; L42-I99 HydrophobicContact CG-CD1 4.21Å; L42-I104 HydrophobicContact CB-CD1 4.15Å; L42-I104 HydrophobicContact CB-CG1 4.18Å; L42-I104 HydrophobicContact CB-CG2 3.89Å; L42-I104 HydrophobicContact CD2-CG1 4.49Å; L42-L106 PolarHBondContact N-O 3.11Å; L42-I107 HydrophobicContact CB-CG1 4.4Å; L42-I107 HydrophobicContact CD2-CD1 4.46Å; L42-I107 HydrophobicContact CD2-CG1 4.22Å; L42-I107 HydrophobicContact CD2-CG2 4.4Å; L42-I107 CarbonylContact O-C 3.57Å; L42-I107 WeakPolarHBondContact O-CA 3.37Å; L42-F108 PolarHBondContact O-N 3.44Å; L42-W131 HydrophobicContact CD2-CE3 3.9Å; L42-W131 HydrophobicContact CD2-CZ3 4.23Å
43E98.9Very high97.8Very high5 Ų526.8 Ų26.82%0.02317%0.168CC..EExtended strand (participates in β ladder)trans-94.3115.3174.2178.6176.5-154.500109.8A46 T52 L55 I63 L65 F108E43-A46 HydrophobicContact CG-CB 3.73Å; E43-T52 VanDerWaalsContact OE2-CA 3.27Å; E43-T52 WeakPolarHBondContact OE2-CA 3.41Å; E43-T52 WeakPolarHBondContact OE2-CB 3.15Å; E43-T52 PolarHBondContact OE2-N 3.42Å; E43-T52 PolarHBondContact OE2-OG1 3.34Å; E43-L55 HydrophobicContact CB-CD1 4.16Å; E43-L55 HydrophobicContact CG-CD1 4.31Å; E43-I63 PolarHBondContact N-O 3.28Å; E43-L65 PolarHBondContact O-N 3.08Å; E43-F108 CarbonylContact C-O 3.59Å; E43-F108 WeakPolarHBondContact CA-O 3.44Å; E43-F108 HydrophobicContact CB-CD1 4.42Å; E43-F108 HydrophobicContact CG-CD1 3.94Å; E43-F108 HydrophobicContact CG-CE1 4.41Å
44L98.8Very high97.9Very high1 Ų129.9 Ų29.91%0.00518%0.182CC..EExtended strand (participates in β ladder)trans-103.9127.2-179.4-59.4178.3000110.6L42 L65 V92 I107 F108 S109 L112 M124 M128 W131L42-L44 HydrophobicContact CD1-CD2 3.84Å; L42-L44 HydrophobicContact CD2-CD1 4.46Å; L42-L44 HydrophobicContact CD2-CD2 3.88Å; L42-L44 HydrophobicContact CD2-CG 4.25Å; L42-L44 HydrophobicContact CG-CD2 3.7Å; L42-L44 HydrophobicContact CG-CG 4.03Å; L44-L65 HydrophobicContact CD2-CB 4.26Å; L44-L65 HydrophobicContact CD2-CD1 4.18Å; L44-L65 HydrophobicContact CD2-CD2 4.26Å; L44-L65 HydrophobicContact CD2-CG 4.49Å; L44-V92 HydrophobicContact CB-CG1 4.28Å; L44-V92 HydrophobicContact CD2-CG1 4.05Å; L44-I107 HydrophobicContact CD1-CG2 3.76Å; L44-I107 HydrophobicContact CG-CG2 4.25Å; L44-F108 PolarHBondContact N-O 3.03Å; L44-S109 WeakPolarHBondContact O-CB 3.26Å; L44-L112 HydrophobicContact CB-CD2 3.5Å; L44-L112 VanDerWaalsContact CB-CD2 3.5Å; L44-L112 HydrophobicContact CD1-CD2 4.19Å; L44-M124 HydrophobicContact CD1-CE 4.13Å; L44-M128 HydrophobicContact CD1-CE 3.6Å; L44-W131 HydrophobicContact CD1-CZ3 4.46Å
45G98.1Very high98.1Very high27 Ų2729.4 Ų29.428%0.27818%0.179SC..SBendtrans73.543.6-172.200000111.8G47 L65G45-G47 PolarHBondContact O-N 2.88Å; G45-G47 VanDerWaalsContact O-N 3.15Å; G45-L65 WeakPolarHBondContact CA-O 3.37Å; G45-L65 PolarHBondContact N-O 2.81Å
46A98.3Very high98.2Very high6 Ų624.8 Ų24.85%0.0515%0.149CC..  trans-64.5-17.8-172.800000113.9E43 I48 G49 A64 L65 I72E43-A46 HydrophobicContact CG-CB 3.73Å; A46-I48 PolarHBondContact O-N 2.7Å; A46-G49 PolarHBondContact O-N 3.39Å; A46-A64 HydrophobicContact CB-CB 4.01Å; A46-L65 PolarHBondContact N-O 2.81Å; A46-I72 HydrophobicContact CB-CD1 4.25Å
47G96.6Very high98.2Very high11 Ų1129.8 Ų29.811%0.11317%0.173CC..THydrogen-bonded Turntrans51.9-136.7-17600000111.9G45 G49 D66 A71 N75G45-G47 PolarHBondContact O-N 2.88Å; G45-G47 VanDerWaalsContact O-N 3.15Å; G47-G49 PolarHBondContact O-N 2.94Å; G47-D66 VanDerWaalsContact CA-OD2 3.25Å; G47-D66 WeakPolarHBondContact CA-OD2 3.24Å; G47-D66 PolarHBondContact N-OD2 3.01Å; G47-A71 CarbonylContact O-C 3.55Å; G47-N75 WeakPolarHBondContact O-CB 3.44Å; G47-N75 PolarHBondContact O-ND2 3.05Å; G47-N75 VanDerWaalsContact O-ND2 3.12Å
48I96.8Very high98.2Very high29 Ų2927.3 Ų27.315%0.14916%0.16CC..THydrogen-bonded Turntrans-82.23.9178.366.1173.4000113.9L7 V9 M12 A46 A71 K74L7-I48 HydrophobicContact CB-CG2 4.24Å; L7-I48 HydrophobicContact CD2-CG2 3.97Å; L7-I48 WeakPolarHBondContact O-CD1 3.04Å; V9-I48 HydrophobicContact CG2-CD1 4.29Å; M12-I48 HydrophobicContact CE-CG1 4.23Å; A46-I48 PolarHBondContact O-N 2.7Å; I48-A71 HydrophobicContact CG2-CB 4.34Å; I48-K74 HydrophobicContact CB-CG 4.09Å; I48-K74 HydrophobicContact CG2-CB 4.23Å; I48-K74 HydrophobicContact CG2-CG 3.99Å
49G97.1Very high98.2Very high14 Ų1424.8 Ų24.814%0.14413%0.133CC..THydrogen-bonded Turntrans9348.617200000116.4A46 G47 F51 T52 N75A46-G49 PolarHBondContact O-N 3.39Å; G47-G49 PolarHBondContact O-N 2.94Å; G49-F51 VanDerWaalsContact C-N 3.3Å; G49-F51 PolarHBondContact O-N 3.2Å; G49-T52 WeakPolarHBondContact CA-OG1 3.42Å; G49-N75 WeakPolarHBondContact CA-ND2 3.32Å; G49-N75 WeakPolarHBondContact CA-OD1 3.21Å; G49-N75 PolarHBondContact N-ND2 3.23Å
50R96.5Very high98.2Very high10 Ų1022.2 Ų22.24%0.03813%0.132CC..THydrogen-bonded Turntrans-62.6-37.5175-162.6165.776.9119.5-9112.5M12 D22 E25 R26 N110 W111M12-R50 HydrophobicContact CE-CB 4.26Å; D22-R50 VanDerWaalsContact OD1-CD 3.22Å; D22-R50 WeakPolarHBondContact OD1-CD 3.22Å; D22-R50 IonicContact OD1-CZ 3.39Å; D22-R50 IonicContact OD1-NE 3.91Å; D22-R50 IonicContact OD1-NH1 2.81Å; D22-R50 PolarHBondContact OD1-NH1 3.12Å; E25-R50 IonicContact OE1-CZ 3.42Å; E25-R50 IonicContact OE1-NH1 3.72Å; E25-R50 IonicContact OE1-NH2 3.28Å; E25-R50 PolarHBondContact OE1-NH2 2.62Å; E25-R50 IonicContact OE2-CZ 3.86Å; E25-R50 IonicContact OE2-NH1 2.7Å; E25-R50 PolarHBondContact OE2-NH1 3.18Å; E25-R50 IonicContact OE2-NH2 2.78Å; E25-R50 PolarHBondContact OE2-NH2 3.09Å; E25-R50 VanDerWaalsContact OE2-NH2 3.15Å; R26-R50 VanDerWaalsContact CZ-CG 3.49Å; R26-R50 PolarHBondContact NH1-O 2.72Å; R50-N110 PolarHBondContact NH2-ND2 2.96Å; R50-N110 VanDerWaalsContact NH2-ND2 3.12Å; R50-W111 VanDerWaalsContact NH2-CZ3 3.26Å
51F98.3Very high98.2Very high6 Ų628 Ų283%0.02616%0.158CC..THydrogen-bonded Turntrans-110.4-25.7178.9-59.1-78.3000113.1R26 V29 L30 G49 G53 E54 L55 F108 N110R26-F51 HydrophobicContact CB-CE1 4.2Å; R26-F51 HydrophobicContact CG-CD1 3.84Å; R26-F51 HydrophobicContact CG-CE1 3.42Å; R26-F51 VanDerWaalsContact CG-CE1 3.42Å; R26-F51 HydrophobicContact CG-CZ 4.13Å; V29-F51 HydrophobicContact CB-CE1 3.93Å; V29-F51 HydrophobicContact CB-CZ 4.05Å; V29-F51 HydrophobicContact CG1-CE1 3.82Å; V29-F51 HydrophobicContact CG1-CZ 3.85Å; V29-F51 HydrophobicContact CG2-CZ 4.44Å; L30-F51 HydrophobicContact CD2-CD1 3.91Å; L30-F51 HydrophobicContact CG-CD1 3.98Å; L30-F51 HydrophobicContact CG-CE1 4.27Å; G49-F51 VanDerWaalsContact C-N 3.3Å; G49-F51 PolarHBondContact O-N 3.2Å; F51-G53 VanDerWaalsContact C-N 3.29Å; F51-G53 PolarHBondContact O-N 3.38Å; F51-G53 VanDerWaalsContact O-N 3.1Å; F51-E54 WeakPolarHBondContact O-CB 3.07Å; F51-E54 PolarHBondContact O-N 3.43Å; F51-L55 HydrophobicContact CB-CD1 4.24Å; F51-L55 HydrophobicContact CB-CG 4.41Å; F51-L55 WeakPolarHBondContact O-CG 3.22Å; F51-L55 PolarHBondContact O-N 2.88Å; F51-F108 HydrophobicContact CB-CE1 3.79Å; F51-F108 HydrophobicContact CB-CZ 4.24Å; F51-F108 HydrophobicContact CD1-CZ 4.16Å; F51-F108 AromaticContact CD2-CE1 3.75Å; F51-F108 HydrophobicContact CD2-CE1 3.75Å; F51-F108 AromaticContact CD2-CZ 3.76Å; F51-F108 HydrophobicContact CD2-CZ 3.76Å; F51-F108 HydrophobicContact CE1-CZ 4.44Å; F51-F108 HydrophobicContact CE2-CE1 4.45Å; F51-F108 HydrophobicContact CE2-CZ 4.07Å; F51-F108 AromaticContact CG-CE1 3.8Å; F51-F108 HydrophobicContact CG-CE1 3.8Å; F51-F108 AromaticContact CG-CZ 3.81Å; F51-F108 HydrophobicContact CG-CZ 3.81Å; F51-F108 HydrophobicContact CZ-CZ 4.4Å; F51-N110 HydrophobicContact CE2-CB 3.96Å
52T98.7Very high98.2Very high0 Ų028 Ų280%016%0.158CC..Hα-helixtrans-47-48-174.8-30.80000114.2E43 G49 E54 L55 A56 V62 A64 N75 I85 F87E43-T52 VanDerWaalsContact OE2-CA 3.27Å; E43-T52 WeakPolarHBondContact OE2-CA 3.41Å; E43-T52 WeakPolarHBondContact OE2-CB 3.15Å; E43-T52 PolarHBondContact OE2-N 3.42Å; E43-T52 PolarHBondContact OE2-OG1 3.34Å; G49-T52 WeakPolarHBondContact CA-OG1 3.42Å; T52-E54 VanDerWaalsContact C-N 3.35Å; T52-E54 PolarHBondContact O-N 3.19Å; T52-L55 PolarHBondContact O-N 3.35Å; T52-A56 VanDerWaalsContact O-CB 3.27Å; T52-A56 WeakPolarHBondContact O-CB 3.25Å; T52-A56 PolarHBondContact O-N 3.48Å; T52-V62 HydrophobicContact CG2-CG1 4.45Å; T52-A64 HydrophobicContact CG2-CB 3.73Å; T52-N75 WeakPolarHBondContact CB-OD1 3.27Å; T52-N75 VanDerWaalsContact OG1-CG 3.29Å; T52-N75 PolarHBondContact OG1-ND2 2.81Å; T52-N75 PolarHBondContact OG1-OD1 2.89Å; T52-I85 HydrophobicContact CG2-CD1 4Å; T52-I85 HydrophobicContact CG2-CG2 4.16Å; T52-F87 HydrophobicContact CG2-CE1 4.36Å
53G98.1Very high98.2Very high8 Ų829.9 Ų29.98%0.08217%0.167CC..Hα-helixtrans-68.4-32.6-177.500000113.2F51 Q57F51-G53 VanDerWaalsContact C-N 3.29Å; F51-G53 PolarHBondContact O-N 3.38Å; F51-G53 VanDerWaalsContact O-N 3.1Å; G53-Q57 WeakPolarHBondContact O-CG 3.44Å; G53-Q57 PolarHBondContact O-N 3.48Å; G53-Q57 PolarHBondContact O-NE2 3.23Å; G53-Q57 VanDerWaalsContact O-NE2 3.09Å
54E98.2Very high98.2Very high81 Ų8129.6 Ų29.638%0.37917%0.166SC..Hα-helixtrans-72.9-41.7175.3-64.3-74.9-175.200110.6L30 F51 T52 Q57L30-E54 HydrophobicContact CD1-CB 3.86Å; L30-E54 HydrophobicContact CD1-CG 3.83Å; L30-E54 HydrophobicContact CD2-CB 4.03Å; F51-E54 WeakPolarHBondContact O-CB 3.07Å; F51-E54 PolarHBondContact O-N 3.43Å; T52-E54 VanDerWaalsContact C-N 3.35Å; T52-E54 PolarHBondContact O-N 3.19Å; E54-Q57 PolarHBondContact O-N 2.92Å; E54-Q57 PolarHBondContact OE2-NE2 3.31Å
55L98.6Very high98.2Very high0 Ų029.6 Ų29.60%017%0.166CC..Hα-helixtrans-61.3-46.4174.4-65.5173.7000110.9I33 Y36 V41 E43 F51 T52 Q57 K58 A59 V62 F108I33-L55 HydrophobicContact CD1-CD2 4.01Å; Y36-L55 HydrophobicContact CE1-CD2 4.32Å; Y36-L55 HydrophobicContact CE2-CD2 3.93Å; V41-L55 HydrophobicContact CG1-CD1 4.34Å; E43-L55 HydrophobicContact CB-CD1 4.16Å; E43-L55 HydrophobicContact CG-CD1 4.31Å; F51-L55 HydrophobicContact CB-CD1 4.24Å; F51-L55 HydrophobicContact CB-CG 4.41Å; F51-L55 WeakPolarHBondContact O-CG 3.22Å; F51-L55 PolarHBondContact O-N 2.88Å; T52-L55 PolarHBondContact O-N 3.35Å; L55-Q57 VanDerWaalsContact C-N 3.28Å; L55-Q57 PolarHBondContact O-N 3.44Å; L55-K58 PolarHBondContact O-N 3.45Å; L55-K58 VanDerWaalsContact O-N 3.17Å; L55-A59 WeakPolarHBondContact O-CB 3.16Å; L55-A59 PolarHBondContact O-N 3.46Å; L55-V62 HydrophobicContact CB-CG2 4.44Å; L55-F108 HydrophobicContact CD1-CD1 3.79Å; L55-F108 HydrophobicContact CD1-CE1 4.21Å
56A98.5Very high98.2Very high4 Ų429 Ų293%0.03316%0.156CC..Hα-helixtrans-65.2-26.3-177.400000114.2T52 K58 V62 Y82 N84 I85T52-A56 VanDerWaalsContact O-CB 3.27Å; T52-A56 WeakPolarHBondContact O-CB 3.25Å; T52-A56 PolarHBondContact O-N 3.48Å; A56-K58 VanDerWaalsContact C-N 3.26Å; A56-K58 PolarHBondContact O-N 3.44Å; A56-V62 HydrophobicContact CB-CG2 4.29Å; A56-Y82 HydrophobicContact CB-CD1 4.21Å; A56-Y82 HydrophobicContact CB-CD2 3.97Å; A56-Y82 HydrophobicContact CB-CG 3.82Å; A56-N84 PolarHBondContact O-ND2 3.12Å; A56-I85 HydrophobicContact CB-CD1 3.49Å; A56-I85 VanDerWaalsContact CB-CD1 3.49Å; A56-I85 HydrophobicContact CB-CG1 3.58Å
57Q98.3Very high98.1Very high114 Ų11434.7 Ų34.753%0.53318%0.18SC..Hα-helixtrans-66.9-27.4175.8-78.2172.172.900113.1G53 E54 L55 Y82G53-Q57 WeakPolarHBondContact O-CG 3.44Å; G53-Q57 PolarHBondContact O-N 3.48Å; G53-Q57 PolarHBondContact O-NE2 3.23Å; G53-Q57 VanDerWaalsContact O-NE2 3.09Å; E54-Q57 PolarHBondContact O-N 2.92Å; E54-Q57 PolarHBondContact OE2-NE2 3.31Å; L55-Q57 VanDerWaalsContact C-N 3.28Å; L55-Q57 PolarHBondContact O-N 3.44Å; Q57-Y82 HydrophobicContact CG-CE1 3.84Å; Q57-Y82 VanDerWaalsContact CG-OH 3.27Å; Q57-Y82 WeakPolarHBondContact CG-OH 3.3Å
58K98.3Very high98.1Very high98 Ų9835 Ų3543%0.42618%0.179SC..Hα-helixtrans-111.8-35.3-175.5-65.7174.863.5-1770113.1Y36 E37 G38 L55 A56Y36-K58 HydrophobicContact CD2-CB 4.32Å; Y36-K58 HydrophobicContact CE2-CB 3.65Å; Y36-K58 HydrophobicContact CE2-CD 4.4Å; E37-K58 CarbonylContact C-O 3.52Å; E37-K58 VanDerWaalsContact CA-O 3.3Å; E37-K58 WeakPolarHBondContact CA-O 3.37Å; G38-K58 PolarHBondContact N-O 3.43Å; L55-K58 PolarHBondContact O-N 3.45Å; L55-K58 VanDerWaalsContact O-N 3.17Å; A56-K58 VanDerWaalsContact C-N 3.26Å; A56-K58 PolarHBondContact O-N 3.44Å
59A98.6Very high98.1Very high7 Ų738.2 Ų38.26%0.05819%0.194CC..  trans-68.5150.3-176.900000112.1Y36 V41 L55 V62 N84Y36-A59 HydrophobicContact CD2-CB 4.17Å; V41-A59 HydrophobicContact CB-CB 4.37Å; V41-A59 HydrophobicContact CG2-CB 3.65Å; L55-A59 WeakPolarHBondContact O-CB 3.16Å; L55-A59 PolarHBondContact O-N 3.46Å; A59-V62 HydrophobicContact CB-CG2 3.51Å; A59-N84 PolarHBondContact O-ND2 2.95Å
60G98.3Very high98.1Very high34 Ų3440 Ų4035%0.35120%0.204SC..SBendtrans-71.1-44.6170.200000111.4K39 N84K39-G60 PolarHBondContact O-N 3.1Å; G60-N84 VanDerWaalsContact O-CB 3.27Å; G60-N84 WeakPolarHBondContact O-CB 3.21Å
61E98.6Very high98.1Very high132 Ų13239.8 Ų39.862%0.61720%0.204SC*.EExtended strand (participates in β ladder)trans-141.6141177.9-63.8-179.7157.300109.5K39 V41K39-E61 PolarHBondContact O-N 3.19Å; V41-E61 PolarHBondContact N-O 3.11Å
62V98.9Very high98.1Very high2 Ų239.7 Ų39.71%0.01220%0.204CC..EExtended strand (participates in β ladder)trans-127.6130.9176.4-177.10000109.7V41 T52 L55 A56 A59 N84 I85 K86V41-V62 HydrophobicContact CB-CG2 4.4Å; V41-V62 CarbonylContact O-C 3.55Å; V41-V62 WeakPolarHBondContact O-CA 3.43Å; T52-V62 HydrophobicContact CG2-CG1 4.45Å; L55-V62 HydrophobicContact CB-CG2 4.44Å; A56-V62 HydrophobicContact CB-CG2 4.29Å; A59-V62 HydrophobicContact CB-CG2 3.51Å; V62-N84 PolarHBondContact N-O 2.82Å; V62-I85 HydrophobicContact CB-CG1 4.28Å; V62-I85 HydrophobicContact CB-CG2 4.36Å; V62-I85 HydrophobicContact CG1-CG2 4.36Å; V62-I85 CarbonylContact O-C 3.47Å; V62-I85 WeakPolarHBondContact O-CA 3.42Å; V62-K86 PolarHBondContact O-N 3.18Å
63I98.9Very high98.1Very high38 Ų3844.2 Ų44.220%0.19523%0.225CC..EExtended strand (participates in β ladder)trans-106.8112.7164.1-59175000107.4V41 L42 E43 K86 M88 I104V41-I63 PolarHBondContact O-N 3.22Å; L42-I63 HydrophobicContact CD1-CB 3.76Å; L42-I63 HydrophobicContact CD1-CG2 3.7Å; E43-I63 PolarHBondContact N-O 3.28Å; I63-K86 CarbonylContact C-O 3.55Å; I63-K86 WeakPolarHBondContact CA-O 3.24Å; I63-K86 HydrophobicContact CG1-CB 4.45Å; I63-M88 HydrophobicContact CG2-CG 4.18Å; I63-M88 HydrophobicContact CG2-SD 3.66Å; I63-I104 HydrophobicContact CD1-CD1 4.49Å
64A98.8Very high98Very high0 Ų048.1 Ų48.10%024%0.239CC..EExtended strand (participates in β ladder)trans-97.3121.3174.800000109.4A46 T52 I72 I85 K86 F87 M88A46-A64 HydrophobicContact CB-CB 4.01Å; T52-A64 HydrophobicContact CG2-CB 3.73Å; A64-I72 HydrophobicContact CB-CD1 4.17Å; A64-I85 HydrophobicContact CB-CG2 4.18Å; A64-K86 PolarHBondContact N-O 3.41Å; A64-F87 HydrophobicContact CB-CD1 3.91Å; A64-F87 HydrophobicContact CB-CE1 4.12Å; A64-F87 CarbonylContact O-C 3.52Å; A64-F87 WeakPolarHBondContact O-CA 3.43Å; A64-M88 PolarHBondContact O-N 2.75Å
65L98.8Very high98Very high1 Ų144.2 Ų44.21%0.00522%0.221CC..EExtended strand (participates in β ladder)trans-125.3130.6-174.8-176.5158.6000111.2E43 L44 G45 A46 M88 A90 V92 L97E43-L65 PolarHBondContact O-N 3.08Å; L44-L65 HydrophobicContact CD2-CB 4.26Å; L44-L65 HydrophobicContact CD2-CD1 4.18Å; L44-L65 HydrophobicContact CD2-CD2 4.26Å; L44-L65 HydrophobicContact CD2-CG 4.49Å; G45-L65 WeakPolarHBondContact CA-O 3.37Å; G45-L65 PolarHBondContact N-O 2.81Å; A46-L65 PolarHBondContact N-O 2.81Å; L65-M88 VanDerWaalsContact CA-O 3.31Å; L65-M88 WeakPolarHBondContact CA-O 3.3Å; L65-M88 HydrophobicContact CB-CB 4.36Å; L65-M88 HydrophobicContact CD1-CB 4.42Å; L65-M88 HydrophobicContact CG-CB 4.29Å; L65-A90 HydrophobicContact CD1-CB 4.04Å; L65-A90 HydrophobicContact CD2-CB 4.5Å; L65-A90 WeakPolarHBondContact CD2-O 3.28Å; L65-A90 HydrophobicContact CG-CB 4.21Å; L65-V92 HydrophobicContact CD2-CG1 3.63Å; L65-L97 HydrophobicContact CD1-CD1 3.77Å; L65-L97 HydrophobicContact CD1-CD2 4.02Å
66D98.5Very high98Very high14 Ų1449.2 Ų49.28%0.07525%0.245CC..EExtended strand (participates in β ladder)trans-144.8148.1169.7-159.2-77.6000110G47 I68 I72 M88 C89 A90G47-D66 VanDerWaalsContact CA-OD2 3.25Å; G47-D66 WeakPolarHBondContact CA-OD2 3.24Å; G47-D66 PolarHBondContact N-OD2 3.01Å; D66-I68 PolarHBondContact OD1-N 3.3Å; D66-I72 HydrophobicContact CB-CB 4.12Å; D66-I72 HydrophobicContact CB-CD1 4.12Å; D66-M88 PolarHBondContact N-O 2.87Å; D66-M88 VanDerWaalsContact N-O 3.14Å; D66-C89 VanDerWaalsContact O-CA 3.25Å; D66-C89 WeakPolarHBondContact O-CA 3.44Å; D66-A90 CarbonylContact C-O 3.53Å; D66-A90 PolarHBondContact O-N 2.78Å; D66-A90 VanDerWaalsContact O-N 3.09Å
67F97.6Very high98Very high126 Ų12653.7 Ų53.755%0.55328%0.276SS*.SBendtrans-81.9-14.2178.980.6-41.6000113.7A90 D91F67-A90 WeakPolarHBondContact CA-O 3.43Å; F67-A90 WeakPolarHBondContact CB-O 3.14Å; F67-A90 PolarHBondContact N-O 3.05Å; F67-D91 HydrophobicContact CB-CB 4.38Å
68I96.4Very high98Very high17 Ų1751.7 Ų51.79%0.08727%0.271CS..  trans-92.6106.3175.3-54.7-54.9000109.3M1 D66 S70 A71 I72M1-I68 HydrophobicContact CG-CD1 4.09Å; D66-I68 PolarHBondContact OD1-N 3.3Å; I68-S70 VanDerWaalsContact C-N 3.29Å; I68-S70 WeakPolarHBondContact CG2-OG 3.39Å; I68-S70 PolarHBondContact O-N 3.07Å; I68-A71 HydrophobicContact CB-CB 3.9Å; I68-A71 HydrophobicContact CG2-CB 4.02Å; I68-A71 WeakPolarHBondContact O-CB 3.2Å; I68-A71 PolarHBondContact O-N 2.74Å; I68-I72 PolarHBondContact O-N 3.13Å; I68-I72 VanDerWaalsContact O-N 3.08Å
69E96.9Very high98Very high97 Ų9747.6 Ų47.645%0.45325%0.254SS..Hα-helixtrans-48.4-47.7179-173.669.2-136.400112.8A71 I72 Q73 C89E69-A71 VanDerWaalsContact C-N 3.3Å; E69-A71 PolarHBondContact O-N 3.04Å; E69-I72 WeakPolarHBondContact O-CG2 3.08Å; E69-I72 PolarHBondContact O-N 3.11Å; E69-Q73 HydrophobicContact CG-CG 4.44Å; E69-Q73 WeakPolarHBondContact O-CB 3.28Å; E69-Q73 WeakPolarHBondContact O-CG 3.3Å; E69-Q73 PolarHBondContact O-N 3.11Å; E69-Q73 PolarHBondContact OE1-NE2 3.31Å; E69-C89 VanDerWaalsContact CA-SG 3.58Å; E69-C89 WeakPolarHBondContact OE2-CB 3.46Å; E69-C89 PolarHBondContact OE2-SG 2.94Å
70S96.9Very high98Very high52 Ų5248.7 Ų48.736%0.36427%0.266SS..Hα-helixtrans-66.1-30.8-179.658.10000113.3I68 K74I68-S70 VanDerWaalsContact C-N 3.29Å; I68-S70 WeakPolarHBondContact CG2-OG 3.39Å; I68-S70 PolarHBondContact O-N 3.07Å; S70-K74 VanDerWaalsContact O-CB 3.31Å; S70-K74 WeakPolarHBondContact O-CB 3.1Å; S70-K74 PolarHBondContact O-N 3.49Å; S70-K74 VanDerWaalsContact O-N 3.09Å
71A96Very high98Very high4 Ų452.7 Ų52.73%0.03328%0.275CS..Hα-helixtrans-72.6-46.8177.900000110.8L7 G47 I48 I68 E69 K74 N75L7-A71 HydrophobicContact CD2-CB 4.26Å; G47-A71 CarbonylContact O-C 3.55Å; I48-A71 HydrophobicContact CG2-CB 4.34Å; I68-A71 HydrophobicContact CB-CB 3.9Å; I68-A71 HydrophobicContact CG2-CB 4.02Å; I68-A71 WeakPolarHBondContact O-CB 3.2Å; I68-A71 PolarHBondContact O-N 2.74Å; E69-A71 VanDerWaalsContact C-N 3.3Å; E69-A71 PolarHBondContact O-N 3.04Å; A71-K74 WeakPolarHBondContact O-CB 3.46Å; A71-K74 PolarHBondContact O-N 2.93Å; A71-N75 PolarHBondContact O-N 3.48Å
72I98.1Very high98Very high5 Ų549.3 Ų49.33%0.02626%0.257CS..Hα-helixtrans-70.1-34.8179.5-159.467.2000112.2A46 A64 D66 I68 E69 K74 N75 E76 F87 C89A46-I72 HydrophobicContact CB-CD1 4.25Å; A64-I72 HydrophobicContact CB-CD1 4.17Å; D66-I72 HydrophobicContact CB-CB 4.12Å; D66-I72 HydrophobicContact CB-CD1 4.12Å; I68-I72 PolarHBondContact O-N 3.13Å; I68-I72 VanDerWaalsContact O-N 3.08Å; E69-I72 WeakPolarHBondContact O-CG2 3.08Å; E69-I72 PolarHBondContact O-N 3.11Å; I72-K74 VanDerWaalsContact C-N 3.31Å; I72-K74 PolarHBondContact O-N 2.86Å; I72-N75 HydrophobicContact CD1-CB 4.27Å; I72-N75 VanDerWaalsContact O-CB 3.31Å; I72-N75 WeakPolarHBondContact O-CB 3.25Å; I72-N75 PolarHBondContact O-N 3.39Å; I72-E76 PolarHBondContact O-N 2.89Å; I72-F87 HydrophobicContact CD1-CD1 4.02Å; I72-F87 HydrophobicContact CG1-CB 4.1Å; I72-F87 HydrophobicContact CG1-CD1 4.22Å; I72-C89 HydrophobicContact CG2-CB 3.91Å
73Q98Very high98Very high95 Ų9558.3 Ų58.344%0.44430%0.296SS..Hα-helixtrans-63.9-37.2171.2-74.4178.5-0.500111.9E69 E76 S77E69-Q73 HydrophobicContact CG-CG 4.44Å; E69-Q73 WeakPolarHBondContact O-CB 3.28Å; E69-Q73 WeakPolarHBondContact O-CG 3.3Å; E69-Q73 PolarHBondContact O-N 3.11Å; E69-Q73 PolarHBondContact OE1-NE2 3.31Å; Q73-E76 PolarHBondContact O-N 2.84Å; Q73-S77 WeakPolarHBondContact O-CB 3.31Å; Q73-S77 PolarHBondContact O-N 3.14Å; Q73-S77 PolarHBondContact O-OG 3.05Å
74K97.6Very high97.9Very high89 Ų8958.6 Ų58.639%0.38730%0.298SS..Hα-helixtrans-65.1-41.8173.4179.460.6176.6-179.60111.2L7 I48 S70 A71 I72 S77 V78L7-K74 HydrophobicContact CB-CG 4.44Å; L7-K74 HydrophobicContact CD1-CB 4.35Å; I48-K74 HydrophobicContact CB-CG 4.09Å; I48-K74 HydrophobicContact CG2-CB 4.23Å; I48-K74 HydrophobicContact CG2-CG 3.99Å; S70-K74 VanDerWaalsContact O-CB 3.31Å; S70-K74 WeakPolarHBondContact O-CB 3.1Å; S70-K74 PolarHBondContact O-N 3.49Å; S70-K74 VanDerWaalsContact O-N 3.09Å; A71-K74 WeakPolarHBondContact O-CB 3.46Å; A71-K74 PolarHBondContact O-N 2.93Å; I72-K74 VanDerWaalsContact C-N 3.31Å; I72-K74 PolarHBondContact O-N 2.86Å; K74-S77 WeakPolarHBondContact O-CB 3.16Å; K74-S77 PolarHBondContact O-N 2.65Å; K74-V78 WeakPolarHBondContact O-CG2 3.32Å; K74-V78 PolarHBondContact O-N 3.37Å; K74-V78 VanDerWaalsContact O-N 3.16Å
75N98.5Very high97.9Very high0 Ų059.5 Ų59.50%030%0.303CS..Hα-helixtrans-59.3-48.4174.6-163.1-21.5000111G47 G49 T52 A71 I72 S77 V78 N79 F87G47-N75 WeakPolarHBondContact O-CB 3.44Å; G47-N75 PolarHBondContact O-ND2 3.05Å; G47-N75 VanDerWaalsContact O-ND2 3.12Å; G49-N75 WeakPolarHBondContact CA-ND2 3.32Å; G49-N75 WeakPolarHBondContact CA-OD1 3.21Å; G49-N75 PolarHBondContact N-ND2 3.23Å; T52-N75 WeakPolarHBondContact CB-OD1 3.27Å; T52-N75 VanDerWaalsContact OG1-CG 3.29Å; T52-N75 PolarHBondContact OG1-ND2 2.81Å; T52-N75 PolarHBondContact OG1-OD1 2.89Å; A71-N75 PolarHBondContact O-N 3.48Å; I72-N75 HydrophobicContact CD1-CB 4.27Å; I72-N75 VanDerWaalsContact O-CB 3.31Å; I72-N75 WeakPolarHBondContact O-CB 3.25Å; I72-N75 PolarHBondContact O-N 3.39Å; N75-S77 VanDerWaalsContact C-N 3.34Å; N75-S77 PolarHBondContact O-N 3.27Å; N75-V78 PolarHBondContact O-N 2.83Å; N75-V78 VanDerWaalsContact O-N 3.15Å; N75-N79 WeakPolarHBondContact O-CB 3.47Å; N75-N79 PolarHBondContact O-N 3.15Å; N75-N79 PolarHBondContact OD1-ND2 2.84Å; N75-F87 HydrophobicContact CB-CD1 4.42Å; N75-F87 HydrophobicContact CB-CE1 4.19Å
76E98.6Very high97.9Very high104 Ų10465.3 Ų65.349%0.48633%0.328SS..Hα-helixtrans-61-40.4175.5-177.2170.5-168.700112.3I72 Q73 V78 G80 F87I72-E76 PolarHBondContact O-N 2.89Å; Q73-E76 PolarHBondContact O-N 2.84Å; E76-V78 PolarHBondContact O-N 3.16Å; E76-G80 WeakPolarHBondContact O-CA 3.43Å; E76-G80 PolarHBondContact O-N 2.95Å; E76-F87 HydrophobicContact CB-CB 4.39Å; E76-F87 HydrophobicContact CB-CD1 3.94Å; E76-F87 HydrophobicContact CB-CD2 3.7Å; E76-F87 HydrophobicContact CB-CE1 4.14Å; E76-F87 HydrophobicContact CB-CE2 3.92Å; E76-F87 HydrophobicContact CB-CG 3.72Å; E76-F87 HydrophobicContact CB-CZ 4.13Å; E76-F87 HydrophobicContact CG-CD2 3.55Å; E76-F87 HydrophobicContact CG-CE2 3.77Å; E76-F87 HydrophobicContact CG-CG 4.07Å; E76-F87 HydrophobicContact CG-CZ 4.43Å
77S98.1Very high98Very high99 Ų9966.2 Ų66.269%0.69233%0.332SS*.Hα-helixtrans-62.4-30.2177.1-600000113Q73 K74 N75Q73-S77 WeakPolarHBondContact O-CB 3.31Å; Q73-S77 PolarHBondContact O-N 3.14Å; Q73-S77 PolarHBondContact O-OG 3.05Å; K74-S77 WeakPolarHBondContact O-CB 3.16Å; K74-S77 PolarHBondContact O-N 2.65Å; N75-S77 VanDerWaalsContact C-N 3.34Å; N75-S77 PolarHBondContact O-N 3.27Å
78V98Very high98Very high72 Ų7262.1 Ų62.144%0.43632%0.315SS..Hα-helixtrans-88.7-47.4179.4175.70000111K74 N75 E76 H81K74-V78 WeakPolarHBondContact O-CG2 3.32Å; K74-V78 PolarHBondContact O-N 3.37Å; K74-V78 VanDerWaalsContact O-N 3.16Å; N75-V78 PolarHBondContact O-N 2.83Å; N75-V78 VanDerWaalsContact O-N 3.15Å; E76-V78 PolarHBondContact O-N 3.16Å; V78-H81 PolarHBondContact O-CE1 3.34Å; V78-H81 PolarHBondContact O-ND1 3.09Å
79N98.6Very high98.1Very high12 Ų1264 Ų646%0.06433%0.328CS..Hα-helixtrans-105-6.7-168-64.4-52.1000114.1N75 H81 Y82 I85 F87N75-N79 WeakPolarHBondContact O-CB 3.47Å; N75-N79 PolarHBondContact O-N 3.15Å; N75-N79 PolarHBondContact OD1-ND2 2.84Å; N79-H81 PolarHBondContact O-N 2.84Å; N79-Y82 HydrophobicContact CB-CD2 4.34Å; N79-Y82 WeakPolarHBondContact O-CB 3.25Å; N79-Y82 WeakPolarHBondContact O-CD2 3.34Å; N79-Y82 PolarHBondContact O-N 3.13Å; N79-I85 HydrophobicContact CB-CD1 3.85Å; N79-I85 WeakPolarHBondContact O-CD1 3.39Å; N79-F87 HydrophobicContact CB-CZ 4.15Å
80G97.8Very high98.2Very high30 Ų3060.4 Ų60.431%0.30932%0.315SS..THydrogen-bonded Turntrans-66.5-4.1-177.600000115.4E76 Y82E76-G80 WeakPolarHBondContact O-CA 3.43Å; E76-G80 PolarHBondContact O-N 2.95Å; G80-Y82 VanDerWaalsContact C-N 3.26Å
81H98.3Very high98.2Very high118 Ų11861 Ų6155%0.54631%0.314SS..THydrogen-bonded Turntrans-69.5-25.8167.563.6-87000112.2V78 N79 K83V78-H81 PolarHBondContact O-CE1 3.34Å; V78-H81 PolarHBondContact O-ND1 3.09Å; N79-H81 PolarHBondContact O-N 2.84Å; H81-K83 PolarHBondContact O-N 2.65Å
82Y98.5Very high98.3Very high61 Ų6161.1 Ų61.124%0.23932%0.315CS..SBendtrans-73.2117.7170-68.7-68.9000110.6A56 Q57 N79 G80 N84 I85A56-Y82 HydrophobicContact CB-CD1 4.21Å; A56-Y82 HydrophobicContact CB-CD2 3.97Å; A56-Y82 HydrophobicContact CB-CG 3.82Å; Q57-Y82 HydrophobicContact CG-CE1 3.84Å; Q57-Y82 VanDerWaalsContact CG-OH 3.27Å; Q57-Y82 WeakPolarHBondContact CG-OH 3.3Å; N79-Y82 HydrophobicContact CB-CD2 4.34Å; N79-Y82 WeakPolarHBondContact O-CB 3.25Å; N79-Y82 WeakPolarHBondContact O-CD2 3.34Å; N79-Y82 PolarHBondContact O-N 3.13Å; G80-Y82 VanDerWaalsContact C-N 3.26Å; Y82-N84 VanDerWaalsContact C-N 3.26Å; Y82-N84 PolarHBondContact O-N 2.8Å; Y82-I85 HydrophobicContact CD2-CD1 3.95Å; Y82-I85 HydrophobicContact CG-CD1 4.13Å; Y82-I85 PolarHBondContact O-N 3.15Å
83K98.3Very high98.3Very high191 Ų19162.4 Ų62.483%0.8332%0.323SS*.THydrogen-bonded Turntrans-76.3-12.1-174.6-60.3-56.2179.5-168.70114.6H81H81-K83 PolarHBondContact O-N 2.65Å
84N98.7Very high98.3Very high43 Ų4359.3 Ų59.323%0.2331%0.312CS..THydrogen-bonded Turntrans-93.15.917960.7-29.6000113.4A56 A59 G60 V62 Y82A56-N84 PolarHBondContact O-ND2 3.12Å; A59-N84 PolarHBondContact O-ND2 2.95Å; G60-N84 VanDerWaalsContact O-CB 3.27Å; G60-N84 WeakPolarHBondContact O-CB 3.21Å; V62-N84 PolarHBondContact N-O 2.82Å; Y82-N84 VanDerWaalsContact C-N 3.26Å; Y82-N84 PolarHBondContact O-N 2.8Å
85I98.8Very high98.2Very high20 Ų2059.9 Ų59.910%0.10332%0.324CS..EExtended strand (participates in β ladder)trans-101.7133.4177-46.6173.7000110.9T52 A56 V62 A64 N79 Y82 F87T52-I85 HydrophobicContact CG2-CD1 4Å; T52-I85 HydrophobicContact CG2-CG2 4.16Å; A56-I85 HydrophobicContact CB-CD1 3.49Å; A56-I85 VanDerWaalsContact CB-CD1 3.49Å; A56-I85 HydrophobicContact CB-CG1 3.58Å; V62-I85 HydrophobicContact CB-CG1 4.28Å; V62-I85 HydrophobicContact CB-CG2 4.36Å; V62-I85 HydrophobicContact CG1-CG2 4.36Å; V62-I85 CarbonylContact O-C 3.47Å; V62-I85 WeakPolarHBondContact O-CA 3.42Å; A64-I85 HydrophobicContact CB-CG2 4.18Å; N79-I85 HydrophobicContact CB-CD1 3.85Å; N79-I85 WeakPolarHBondContact O-CD1 3.39Å; Y82-I85 HydrophobicContact CD2-CD1 3.95Å; Y82-I85 HydrophobicContact CG-CD1 4.13Å; Y82-I85 PolarHBondContact O-N 3.15Å; I85-F87 HydrophobicContact CB-CE2 3.88Å; I85-F87 HydrophobicContact CB-CZ 3.9Å; I85-F87 HydrophobicContact CD1-CZ 4.01Å; I85-F87 HydrophobicContact CG2-CD1 4.22Å; I85-F87 HydrophobicContact CG2-CD2 4.13Å; I85-F87 HydrophobicContact CG2-CE1 3.72Å; I85-F87 HydrophobicContact CG2-CE2 3.6Å; I85-F87 HydrophobicContact CG2-CG 4.4Å; I85-F87 HydrophobicContact CG2-CZ 3.38Å
86K98.7Very high98.2Very high122 Ų12265.9 Ų65.953%0.5336%0.357SS..EExtended strand (participates in β ladder)trans-111126.9163.9-177.9-176.6176.1-172.20109.4V62 I63 A64V62-K86 PolarHBondContact O-N 3.18Å; I63-K86 CarbonylContact C-O 3.55Å; I63-K86 WeakPolarHBondContact CA-O 3.24Å; I63-K86 HydrophobicContact CG1-CB 4.45Å; A64-K86 PolarHBondContact N-O 3.41Å
87F98.7Very high98.1Very high34 Ų3461.3 Ų61.315%0.14934%0.335CS..EExtended strand (participates in β ladder)trans-96.3139.5177.4-60.2-86.3000110.7T52 A64 I72 N75 E76 N79 I85T52-F87 HydrophobicContact CG2-CE1 4.36Å; A64-F87 HydrophobicContact CB-CD1 3.91Å; A64-F87 HydrophobicContact CB-CE1 4.12Å; A64-F87 CarbonylContact O-C 3.52Å; A64-F87 WeakPolarHBondContact O-CA 3.43Å; I72-F87 HydrophobicContact CD1-CD1 4.02Å; I72-F87 HydrophobicContact CG1-CB 4.1Å; I72-F87 HydrophobicContact CG1-CD1 4.22Å; N75-F87 HydrophobicContact CB-CD1 4.42Å; N75-F87 HydrophobicContact CB-CE1 4.19Å; E76-F87 HydrophobicContact CB-CB 4.39Å; E76-F87 HydrophobicContact CB-CD1 3.94Å; E76-F87 HydrophobicContact CB-CD2 3.7Å; E76-F87 HydrophobicContact CB-CE1 4.14Å; E76-F87 HydrophobicContact CB-CE2 3.92Å; E76-F87 HydrophobicContact CB-CG 3.72Å; E76-F87 HydrophobicContact CB-CZ 4.13Å; E76-F87 HydrophobicContact CG-CD2 3.55Å; E76-F87 HydrophobicContact CG-CE2 3.77Å; E76-F87 HydrophobicContact CG-CG 4.07Å; E76-F87 HydrophobicContact CG-CZ 4.43Å; N79-F87 HydrophobicContact CB-CZ 4.15Å; I85-F87 HydrophobicContact CB-CE2 3.88Å; I85-F87 HydrophobicContact CB-CZ 3.9Å; I85-F87 HydrophobicContact CD1-CZ 4.01Å; I85-F87 HydrophobicContact CG2-CD1 4.22Å; I85-F87 HydrophobicContact CG2-CD2 4.13Å; I85-F87 HydrophobicContact CG2-CE1 3.72Å; I85-F87 HydrophobicContact CG2-CE2 3.6Å; I85-F87 HydrophobicContact CG2-CG 4.4Å; I85-F87 HydrophobicContact CG2-CZ 3.38Å
88M98.4Very high98.1Very high40 Ų4064.1 Ų64.120%0.19734%0.335CS..EExtended strand (participates in β ladder)trans-136.3122.7179.4-69.7-176.557.300110.9I63 A64 L65 D66 L97I63-M88 HydrophobicContact CG2-CG 4.18Å; I63-M88 HydrophobicContact CG2-SD 3.66Å; A64-M88 PolarHBondContact O-N 2.75Å; L65-M88 VanDerWaalsContact CA-O 3.31Å; L65-M88 WeakPolarHBondContact CA-O 3.3Å; L65-M88 HydrophobicContact CB-CB 4.36Å; L65-M88 HydrophobicContact CD1-CB 4.42Å; L65-M88 HydrophobicContact CG-CB 4.29Å; D66-M88 PolarHBondContact N-O 2.87Å; D66-M88 VanDerWaalsContact N-O 3.14Å; M88-L97 HydrophobicContact CE-CD1 3.81Å
89C98.5Very high98.1Very high55 Ų5561.7 Ų61.737%0.37232%0.319SS..EExtended strand (participates in β ladder)trans-86.9105.2165.1-171.10000109.3D66 E69 I72D66-C89 VanDerWaalsContact O-CA 3.25Å; D66-C89 WeakPolarHBondContact O-CA 3.44Å; E69-C89 VanDerWaalsContact CA-SG 3.58Å; E69-C89 WeakPolarHBondContact OE2-CB 3.46Å; E69-C89 PolarHBondContact OE2-SG 2.94Å; I72-C89 HydrophobicContact CG2-CB 3.91Å
90A98.1Very high98Very high22 Ų2268.9 Ų68.918%0.18235%0.35CS..  trans-157.5150.2-179.900000111.7L65 D66 F67 L97L65-A90 HydrophobicContact CD1-CB 4.04Å; L65-A90 HydrophobicContact CD2-CB 4.5Å; L65-A90 WeakPolarHBondContact CD2-O 3.28Å; L65-A90 HydrophobicContact CG-CB 4.21Å; D66-A90 CarbonylContact C-O 3.53Å; D66-A90 PolarHBondContact O-N 2.78Å; D66-A90 VanDerWaalsContact O-N 3.09Å; F67-A90 WeakPolarHBondContact CA-O 3.43Å; F67-A90 WeakPolarHBondContact CB-O 3.14Å; F67-A90 PolarHBondContact N-O 3.05Å; A90-L97 HydrophobicContact CB-CD1 4.02Å
91D98.1Very high97.9Very high64 Ų6472.7 Ų72.734%0.34236%0.363SS..  trans-81.7130.7165.9-164.4-48.9000109.6F67 T93 S94F67-D91 HydrophobicContact CB-CB 4.38Å; D91-T93 VanDerWaalsContact CG-OG1 3.27Å; D91-T93 PolarHBondContact O-N 2.8Å; D91-T93 WeakPolarHBondContact OD1-CB 3.42Å; D91-T93 PolarHBondContact OD1-N 3.37Å; D91-T93 PolarHBondContact OD1-OG1 3.21Å; D91-S94 VanDerWaalsContact O-CB 3.24Å; D91-S94 WeakPolarHBondContact O-CB 3.49Å; D91-S94 PolarHBondContact O-N 3.02Å; D91-S94 VanDerWaalsContact O-N 3.09Å
92V98.2Very high97.9Very high8 Ų868.8 Ų68.85%0.04836%0.356CS..THydrogen-bonded Turntrans-61.9-30.2179-61.60000112.3L44 L65 S94 L112 L116 M124 R127L44-V92 HydrophobicContact CB-CG1 4.28Å; L44-V92 HydrophobicContact CD2-CG1 4.05Å; L65-V92 HydrophobicContact CD2-CG1 3.63Å; V92-S94 VanDerWaalsContact C-N 3.27Å; V92-S94 PolarHBondContact O-N 3.27Å; V92-L112 HydrophobicContact CG1-CD1 4.44Å; V92-L112 HydrophobicContact CG1-CD2 4.37Å; V92-L112 HydrophobicContact CG2-CD1 4.21Å; V92-L116 HydrophobicContact CG2-CD1 4.2Å; V92-L116 HydrophobicContact CG2-CD2 4.14Å; V92-M124 HydrophobicContact CB-CE 3.89Å; V92-M124 HydrophobicContact CB-SD 3.88Å; V92-M124 HydrophobicContact CG2-CE 4.4Å; V92-M124 HydrophobicContact CG2-CG 4.47Å; V92-M124 HydrophobicContact CG2-SD 4.14Å; V92-R127 PolarHBondContact O-NH1 3.46Å
93T97.6Very high97.9Very high31 Ų3167.5 Ų67.519%0.1936%0.355CS..THydrogen-bonded Turntrans-77.9-11.7178.767.60000113.1D91 L116 E120D91-T93 VanDerWaalsContact CG-OG1 3.27Å; D91-T93 PolarHBondContact O-N 2.8Å; D91-T93 WeakPolarHBondContact OD1-CB 3.42Å; D91-T93 PolarHBondContact OD1-N 3.37Å; D91-T93 PolarHBondContact OD1-OG1 3.21Å; T93-L116 HydrophobicContact CG2-CD1 4.38Å; T93-L116 HydrophobicContact CG2-CD2 3.56Å; T93-E120 HydrophobicContact CG2-CB 4.02Å; T93-E120 HydrophobicContact CG2-CG 3.96Å
94S97.8Very high97.9Very high31 Ų3158.7 Ų58.722%0.21732%0.317CS..  trans-63.1130-174176.80000111.9D91 V92 D96 L97 R127D91-S94 VanDerWaalsContact O-CB 3.24Å; D91-S94 WeakPolarHBondContact O-CB 3.49Å; D91-S94 PolarHBondContact O-N 3.02Å; D91-S94 VanDerWaalsContact O-N 3.09Å; V92-S94 VanDerWaalsContact C-N 3.27Å; V92-S94 PolarHBondContact O-N 3.27Å; S94-D96 PolarHBondContact O-N 3.08Å; S94-D96 PolarHBondContact OG-N 3.35Å; S94-D96 VanDerWaalsContact OG-N 3.16Å; S94-L97 WeakPolarHBondContact O-CB 3.31Å; S94-L97 PolarHBondContact O-N 3.48Å; S94-R127 PolarHBondContact O-NH1 2.79Å; S94-R127 PolarHBondContact O-NH2 2.84Å
95P95.9Very high97.9Very high100 Ų10058 Ų5865%0.64931%0.313SS*.THydrogen-bonded Turntrans-65.7-19.5172.828.7-35000112.5K98P95-K98 PolarHBondContact O-NZ 2.56Å
96D97.4Very high97.9Very high126 Ų12657.1 Ų57.167%0.67431%0.309SS*.THydrogen-bonded Turntrans-86.7-14.2179.6-61.4-42.5000112.9S94 K98S94-D96 PolarHBondContact O-N 3.08Å; S94-D96 PolarHBondContact OG-N 3.35Å; S94-D96 VanDerWaalsContact OG-N 3.16Å; D96-K98 WeakPolarHBondContact O-CG 3.35Å; D96-K98 PolarHBondContact O-N 2.9Å; D96-K98 VanDerWaalsContact O-N 3.13Å
97L97.8Very high97.9Very high8 Ų851.4 Ų51.44%0.04228%0.284CS..  trans-61.2117.9173.7175.859.9000109.4L65 M88 A90 S94 I99 R127 W131L65-L97 HydrophobicContact CD1-CD1 3.77Å; L65-L97 HydrophobicContact CD1-CD2 4.02Å; M88-L97 HydrophobicContact CE-CD1 3.81Å; A90-L97 HydrophobicContact CB-CD1 4.02Å; S94-L97 WeakPolarHBondContact O-CB 3.31Å; S94-L97 PolarHBondContact O-N 3.48Å; L97-I99 HydrophobicContact CD1-CD1 4.46Å; L97-I99 HydrophobicContact CD1-CG1 4.25Å; L97-I99 HydrophobicContact CD2-CD1 4.47Å; L97-I99 HydrophobicContact CG-CG1 4.34Å; L97-R127 PolarHBondContact O-NH2 3.46Å; L97-W131 HydrophobicContact CD2-CH2 3.93Å; L97-W131 HydrophobicContact CD2-CZ2 4.41Å
98K96.9Very high97.9Very high159 Ų15949.8 Ų49.869%0.69128%0.277SS*.  trans-110.7110.7178.3-57.3-51.5176.2-162.10110.3P95 D96P95-K98 PolarHBondContact O-NZ 2.56Å; D96-K98 WeakPolarHBondContact O-CG 3.35Å; D96-K98 PolarHBondContact O-N 2.9Å; D96-K98 VanDerWaalsContact O-N 3.13Å
99I97.9Very high97.9Very high20 Ų2048 Ų4810%0.10327%0.268CS..  trans-120137.4167-58.6-176.1000106L42 L97 I104 W131L42-I99 HydrophobicContact CD1-CD1 3.76Å; L42-I99 HydrophobicContact CD2-CD1 3.38Å; L42-I99 HydrophobicContact CD2-CG2 4.45Å; L42-I99 HydrophobicContact CG-CD1 4.21Å; L97-I99 HydrophobicContact CD1-CD1 4.46Å; L97-I99 HydrophobicContact CD1-CG1 4.25Å; L97-I99 HydrophobicContact CD2-CD1 4.47Å; L97-I99 HydrophobicContact CG-CG1 4.34Å; I99-I104 HydrophobicContact CG2-CG1 4.19Å; I99-W131 HydrophobicContact CB-CD2 3.88Å; I99-W131 HydrophobicContact CB-CG 3.97Å; I99-W131 HydrophobicContact CB-CZ2 4.09Å; I99-W131 HydrophobicContact CD1-CD2 4.19Å; I99-W131 HydrophobicContact CD1-CE3 4.04Å; I99-W131 HydrophobicContact CD1-CH2 3.98Å; I99-W131 HydrophobicContact CD1-CZ2 4.1Å; I99-W131 HydrophobicContact CD1-CZ3 3.96Å; I99-W131 HydrophobicContact CG1-CZ2 4.22Å; I99-W131 HydrophobicContact CG2-CB 4.1Å; I99-W131 HydrophobicContact CG2-CD2 3.96Å; I99-W131 HydrophobicContact CG2-CG 3.7Å; I99-W131 PolarHBondContact O-NE1 3.41Å
100K97.3Very high97.9Very high163 Ų16346 Ų4671%0.70925%0.254SS*.  trans-73.5131-175.6-178.4-178.8176.1-173.70109.6S103K100-S103 VanDerWaalsContact O-CB 3.3Å; K100-S103 WeakPolarHBondContact O-CB 3.23Å; K100-S103 PolarHBondContact O-N 3.45Å; K100-S103 PolarHBondContact O-OG 3.45Å
101D96.7Very high97.9Very high110 Ų11046.4 Ų46.459%0.58825%0.251SS*.THydrogen-bonded Turntrans-61.3143.8174.8-71.7-4.9000111.7S103 G130D101-S103 PolarHBondContact O-N 3.21Å; D101-G130 CarbonylContact C-O 3.58Å; D101-G130 WeakPolarHBondContact CA-O 3.37Å; D101-G130 WeakPolarHBondContact CB-O 3.43Å
102G96.9Very high97.9Very high37 Ų3744.1 Ų44.138%0.38124%0.239SC..THydrogen-bonded Turntrans5733.1-179.500000114.2G130 W131 K133G102-G130 PolarHBondContact N-O 3Å; G102-W131 PolarHBondContact N-O 3.2Å; G102-K133 VanDerWaalsContact O-CG 3.22Å; G102-K133 WeakPolarHBondContact O-CG 3.48Å
103S98.1Very high97.9Very high33 Ų3343.7 Ų43.723%0.23124%0.236CC..  trans-110.3-19.3-178690000114.4S40 K100 D101 W131 K133S40-S103 PolarHBondContact OG-O 3.25Å; K100-S103 VanDerWaalsContact O-CB 3.3Å; K100-S103 WeakPolarHBondContact O-CB 3.23Å; K100-S103 PolarHBondContact O-N 3.45Å; K100-S103 PolarHBondContact O-OG 3.45Å; D101-S103 PolarHBondContact O-N 3.21Å; S103-W131 PolarHBondContact N-O 2.87Å; S103-K133 VanDerWaalsContact O-CE 3.26Å; S103-K133 WeakPolarHBondContact O-CE 3.33Å
104I98.7Very high97.9Very high6 Ų642.5 Ų42.53%0.03123%0.228CC..EExtended strand (participates in β ladder)trans-103.7134.1-173.6-56.3-55.7000110.1S40 L42 I63 I99 L106 I107 W131 V132 K133S40-I104 WeakPolarHBondContact OG-CA 3.42Å; L42-I104 HydrophobicContact CB-CD1 4.15Å; L42-I104 HydrophobicContact CB-CG1 4.18Å; L42-I104 HydrophobicContact CB-CG2 3.89Å; L42-I104 HydrophobicContact CD2-CG1 4.49Å; I63-I104 HydrophobicContact CD1-CD1 4.49Å; I99-I104 HydrophobicContact CG2-CG1 4.19Å; I104-L106 VanDerWaalsContact CG2-C 3.4Å; I104-L106 WeakPolarHBondContact CG2-O 3.07Å; I104-I107 HydrophobicContact CB-CG1 4.38Å; I104-I107 HydrophobicContact CG2-CG1 3.74Å; I104-W131 PolarHBondContact N-O 3.42Å; I104-W131 VanDerWaalsContact N-O 3.11Å; I104-V132 CarbonylContact O-C 3.58Å; I104-V132 VanDerWaalsContact O-CA 3.32Å; I104-V132 WeakPolarHBondContact O-CA 3.32Å; I104-V132 WeakPolarHBondContact O-CG2 3.43Å; I104-K133 PolarHBondContact O-N 2.98Å
105D98.8Very high97.9Very high28 Ų2846.6 Ų46.615%0.1524%0.24CC..EExtended strand (participates in β ladder)trans-88-33.7172.4-68.3-75.5000112.3K39 S40 K133 G136 Y137K39-D105 HydrophobicContact CB-CB 3.6Å; K39-D105 HydrophobicContact CD-CB 3.78Å; K39-D105 HydrophobicContact CG-CB 4.24Å; S40-D105 PolarHBondContact N-OD2 2.78Å; S40-D105 WeakPolarHBondContact O-CB 3.31Å; S40-D105 PolarHBondContact O-N 3.12Å; S40-D105 PolarHBondContact OG-N 3.39Å; S40-D105 VanDerWaalsContact OG-N 3.13Å; S40-D105 PolarHBondContact OG-OD2 3.25Å; S40-D105 VanDerWaalsContact OG-OD2 3.04Å; D105-K133 VanDerWaalsContact CG-NZ 3.3Å; D105-K133 WeakPolarHBondContact OD1-CD 3.35Å; D105-K133 IonicContact OD1-NZ 3.12Å; D105-K133 PolarHBondContact OD1-NZ 3.27Å; D105-K133 IonicContact OD2-NZ 2.72Å; D105-K133 PolarHBondContact OD2-NZ 3.24Å; D105-G136 CarbonylContact O-C 3.6Å; D105-G136 WeakPolarHBondContact O-CA 3.31Å; D105-Y137 PolarHBondContact O-N 2.59Å
106L98.9Very high98Very high3 Ų342.4 Ų42.42%0.01621%0.212CC..EExtended strand (participates in β ladder)trans-136.9123.3176.9171.968.3000111.1I33 Y36 S40 V41 L42 I104 F108 Y137 F139I33-L106 HydrophobicContact CG2-CD1 4.08Å; I33-L106 HydrophobicContact CG2-CD2 3.28Å; I33-L106 HydrophobicContact CG2-CG 4.32Å; Y36-L106 HydrophobicContact CD1-CD2 3.97Å; Y36-L106 HydrophobicContact CG-CD2 3.92Å; S40-L106 PolarHBondContact O-N 3.06Å; V41-L106 CarbonylContact C-O 3.56Å; V41-L106 VanDerWaalsContact CA-O 3.3Å; V41-L106 WeakPolarHBondContact CA-O 3.48Å; V41-L106 HydrophobicContact CG1-CD2 4.07Å; V41-L106 HydrophobicContact CG1-CG 4.33Å; V41-L106 HydrophobicContact CG2-CB 4.28Å; V41-L106 HydrophobicContact CG2-CD2 4.24Å; L42-L106 PolarHBondContact N-O 3.11Å; I104-L106 VanDerWaalsContact CG2-C 3.4Å; I104-L106 WeakPolarHBondContact CG2-O 3.07Å; L106-F108 HydrophobicContact CD2-CB 4.46Å; L106-F108 HydrophobicContact CG-CB 4.39Å; L106-Y137 CarbonylContact C-O 3.59Å; L106-Y137 WeakPolarHBondContact CA-O 3.44Å; L106-F139 HydrophobicContact CD1-CB 4.31Å
107I98.9Very high98.1Very high1 Ų138.5 Ų38.51%0.00519%0.194CC..EExtended strand (participates in β ladder)trans-97.6126.5163-57.5177.1000107.4L42 L44 I104 M128 W131 V132 Y137 I138 F139L42-I107 HydrophobicContact CB-CG1 4.4Å; L42-I107 HydrophobicContact CD2-CD1 4.46Å; L42-I107 HydrophobicContact CD2-CG1 4.22Å; L42-I107 HydrophobicContact CD2-CG2 4.4Å; L42-I107 CarbonylContact O-C 3.57Å; L42-I107 WeakPolarHBondContact O-CA 3.37Å; L44-I107 HydrophobicContact CD1-CG2 3.76Å; L44-I107 HydrophobicContact CG-CG2 4.25Å; I104-I107 HydrophobicContact CB-CG1 4.38Å; I104-I107 HydrophobicContact CG2-CG1 3.74Å; I107-M128 HydrophobicContact CD1-CB 3.76Å; I107-M128 HydrophobicContact CD1-CG 3.98Å; I107-M128 WeakPolarHBondContact CD1-O 3.41Å; I107-M128 HydrophobicContact CG2-CG 4.28Å; I107-M128 HydrophobicContact CG2-SD 4.18Å; I107-W131 HydrophobicContact CD1-CB 4.05Å; I107-W131 HydrophobicContact CD1-CE3 4.2Å; I107-V132 HydrophobicContact CD1-CB 4.24Å; I107-Y137 PolarHBondContact N-O 3.37Å; I107-I138 HydrophobicContact CB-CG1 4.33Å; I107-I138 HydrophobicContact CB-CG2 4.42Å; I107-I138 HydrophobicContact CD1-CG1 4.33Å; I107-I138 CarbonylContact O-C 3.49Å; I107-I138 WeakPolarHBondContact O-CA 3.29Å; I107-F139 PolarHBondContact O-N 3.23Å
108F98.9Very high98.1Very high1 Ų141.9 Ų41.90%0.00421%0.212CC..EExtended strand (participates in β ladder)trans-125.2129.3-178.3170.9-102.4000110.3V29 I33 L42 E43 L44 F51 L55 L106 N110 F139V29-F108 HydrophobicContact CG1-CE2 3.81Å; V29-F108 HydrophobicContact CG1-CZ 3.97Å; I33-F108 HydrophobicContact CD1-CD2 3.79Å; I33-F108 HydrophobicContact CD1-CE2 3.63Å; I33-F108 HydrophobicContact CD1-CZ 4.26Å; I33-F108 HydrophobicContact CG1-CD2 4.27Å; I33-F108 HydrophobicContact CG1-CE2 4.17Å; L42-F108 PolarHBondContact O-N 3.44Å; E43-F108 CarbonylContact C-O 3.59Å; E43-F108 WeakPolarHBondContact CA-O 3.44Å; E43-F108 HydrophobicContact CB-CD1 4.42Å; E43-F108 HydrophobicContact CG-CD1 3.94Å; E43-F108 HydrophobicContact CG-CE1 4.41Å; L44-F108 PolarHBondContact N-O 3.03Å; F51-F108 HydrophobicContact CB-CE1 3.79Å; F51-F108 HydrophobicContact CB-CZ 4.24Å; F51-F108 HydrophobicContact CD1-CZ 4.16Å; F51-F108 AromaticContact CD2-CE1 3.75Å; F51-F108 HydrophobicContact CD2-CE1 3.75Å; F51-F108 AromaticContact CD2-CZ 3.76Å; F51-F108 HydrophobicContact CD2-CZ 3.76Å; F51-F108 HydrophobicContact CE1-CZ 4.44Å; F51-F108 HydrophobicContact CE2-CE1 4.45Å; F51-F108 HydrophobicContact CE2-CZ 4.07Å; F51-F108 AromaticContact CG-CE1 3.8Å; F51-F108 HydrophobicContact CG-CE1 3.8Å; F51-F108 AromaticContact CG-CZ 3.81Å; F51-F108 HydrophobicContact CG-CZ 3.81Å; F51-F108 HydrophobicContact CZ-CZ 4.4Å; L55-F108 HydrophobicContact CD1-CD1 3.79Å; L55-F108 HydrophobicContact CD1-CE1 4.21Å; L106-F108 HydrophobicContact CD2-CB 4.46Å; L106-F108 HydrophobicContact CG-CB 4.39Å; F108-N110 HydrophobicContact CZ-CB 4.04Å; F108-F139 CarbonylContact C-O 3.52Å; F108-F139 WeakPolarHBondContact CA-O 3.47Å; F108-F139 HydrophobicContact CD2-CB 4.17Å; F108-F139 AromaticContact CD2-CD1 3.4Å; F108-F139 HydrophobicContact CD2-CD1 3.4Å; F108-F139 HydrophobicContact CD2-CE1 4.05Å; F108-F139 AromaticContact CD2-CG 3.97Å; F108-F139 HydrophobicContact CD2-CG 3.97Å; F108-F139 AromaticContact CE2-CD1 3.52Å; F108-F139 HydrophobicContact CE2-CD1 3.52Å; F108-F139 AromaticContact CE2-CE1 3.66Å; F108-F139 HydrophobicContact CE2-CE1 3.66Å; F108-F139 HydrophobicContact CE2-CG 4.38Å
109S98.7Very high98.1Very high1 Ų141 Ų411%0.00721%0.209CC..EExtended strand (participates in β ladder)trans-139.4150.7166.5680000111.1L44 F139 F140 R141L44-S109 WeakPolarHBondContact O-CB 3.26Å; S109-F139 PolarHBondContact N-O 2.78Å; S109-F140 WeakPolarHBondContact O-CA 3.23Å; S109-F140 VanDerWaalsContact OG-CB 3.23Å; S109-F140 WeakPolarHBondContact OG-CB 3.21Å; S109-R141 PolarHBondContact O-N 3.27Å
110N98.1Very high98.1Very high15 Ų1543.4 Ų43.48%0.0822%0.219CC..SBendtrans-140.498.7175.3-18088.1000109.4R50 F51 F108 R141R50-N110 PolarHBondContact NH2-ND2 2.96Å; R50-N110 VanDerWaalsContact NH2-ND2 3.12Å; F51-N110 HydrophobicContact CE2-CB 3.96Å; F108-N110 HydrophobicContact CZ-CB 4.04Å; N110-R141 PolarHBondContact ND2-NH1 2.81Å; N110-R141 WeakPolarHBondContact OD1-CD 3.23Å; N110-R141 PolarHBondContact OD1-NH1 3.31Å
111W97.3Very high98.2Very high30 Ų3035.6 Ų35.611%0.11419%0.186CC..SBendtrans70.485.5-165.3-53.4-56.7000113.6M13 R50 M114 Y115 R141 Y196M13-W111 HydrophobicContact CE-CH2 3.92Å; M13-W111 HydrophobicContact SD-CH2 3.43Å; M13-W111 WeakPolarHBondContact SD-CH2 3.44Å; M13-W111 HydrophobicContact SD-CZ3 3.49Å; M13-W111 WeakPolarHBondContact SD-CZ3 3.37Å; R50-W111 VanDerWaalsContact NH2-CZ3 3.26Å; W111-M114 HydrophobicContact CB-SD 3.83Å; W111-M114 VanDerWaalsContact CD1-SD 3.52Å; W111-M114 HydrophobicContact CG-SD 3.98Å; W111-Y115 HydrophobicContact CB-CE2 4.25Å; W111-Y115 WeakPolarHBondContact O-CE2 3.37Å; W111-R141 WeakPolarHBondContact CA-O 3.28Å; W111-R141 PolarHBondContact N-O 3.28Å; W111-R141 VanDerWaalsContact NE1-NE 3.16Å; W111-Y196 WeakPolarHBondContact CH2-OH 3.11Å; W111-Y196 HydrophobicContact CZ2-CE2 4.34Å; W111-Y196 AromaticContact CZ2-CZ 3.92Å; W111-Y196 VanDerWaalsContact CZ2-OH 3.23Å; W111-Y196 WeakPolarHBondContact CZ2-OH 3.41Å
112L98.3Very high98.2Very high15 Ų1534.1 Ų34.18%0.07918%0.175CC..  trans-137.7-56.3178.817964.4000112L44 V92 M114 Y115 E142L44-L112 HydrophobicContact CB-CD2 3.5Å; L44-L112 VanDerWaalsContact CB-CD2 3.5Å; L44-L112 HydrophobicContact CD1-CD2 4.19Å; V92-L112 HydrophobicContact CG1-CD1 4.44Å; V92-L112 HydrophobicContact CG1-CD2 4.37Å; V92-L112 HydrophobicContact CG2-CD1 4.21Å; L112-M114 PolarHBondContact O-N 2.58Å; L112-Y115 WeakPolarHBondContact O-CB 3.26Å; L112-Y115 PolarHBondContact O-N 3.42Å; L112-E142 PolarHBondContact N-OE1 2.81Å; L112-E142 PolarHBondContact N-OE2 2.82Å; L112-E142 VanDerWaalsContact N-OE2 3.11Å
113L98.6Very high98.2Very high0 Ų036.1 Ų36.10%018%0.177CC..G310 helixtrans-66.5-24.2-171.8-54.8179.2000112.2Y115 L116 V121 M128 F140 E142 R161 Y166 F170L113-Y115 PolarHBondContact O-N 3.11Å; L113-L116 HydrophobicContact CD2-CD1 3.98Å; L113-L116 PolarHBondContact O-N 3.11Å; L113-L116 VanDerWaalsContact O-N 3.16Å; L113-V121 HydrophobicContact CB-CG1 4.5Å; L113-V121 HydrophobicContact CB-CG2 4.09Å; L113-V121 HydrophobicContact CD1-CG1 4.26Å; L113-V121 HydrophobicContact CD2-CG1 4.44Å; L113-M128 HydrophobicContact CD2-CE 4.28Å; L113-F140 HydrophobicContact CD1-CB 4.44Å; L113-F140 HydrophobicContact CD1-CD1 4.32Å; L113-F140 HydrophobicContact CD1-CD2 3.72Å; L113-F140 HydrophobicContact CD1-CE2 3.93Å; L113-F140 HydrophobicContact CD1-CG 3.93Å; L113-F140 HydrophobicContact CD1-CZ 4.33Å; L113-E142 HydrophobicContact CB-CG 4.11Å; L113-E142 WeakPolarHBondContact CB-OE1 3.35Å; L113-E142 WeakPolarHBondContact CG-OE1 3.38Å; L113-E142 VanDerWaalsContact N-CD 3.3Å; L113-E142 PolarHBondContact N-OE1 2.79Å; L113-E142 PolarHBondContact N-OE2 3.29Å; L113-R161 PolarHBondContact O-NH1 3Å; L113-Y166 HydrophobicContact CB-CD1 4.41Å; L113-Y166 HydrophobicContact CB-CE1 3.75Å; L113-Y166 HydrophobicContact CD1-CD1 4.06Å; L113-Y166 HydrophobicContact CD1-CE1 4.23Å; L113-F170 HydrophobicContact CD1-CE2 3.69Å; L113-F170 HydrophobicContact CD1-CZ 3.87Å
114M97.9Very high98.2Very high5 Ų534.6 Ų34.63%0.02517%0.166CC..G310 helixtrans-65.2-13171.565.9-167.5-75.800114W111 L112 E142 T158 H159 Y160W111-M114 HydrophobicContact CB-SD 3.83Å; W111-M114 VanDerWaalsContact CD1-SD 3.52Å; W111-M114 HydrophobicContact CG-SD 3.98Å; L112-M114 PolarHBondContact O-N 2.58Å; M114-E142 WeakPolarHBondContact CB-OE2 3.49Å; M114-E142 WeakPolarHBondContact CG-OE2 3.24Å; M114-E142 PolarHBondContact N-OE2 3.43Å; M114-E142 VanDerWaalsContact N-OE2 3.12Å; M114-T158 HydrophobicContact CB-CG2 4.02Å; M114-T158 HydrophobicContact CE-CG2 3.12Å; M114-T158 HydrophobicContact CG-CG2 4.16Å; M114-T158 HydrophobicContact SD-CG2 4.48Å; M114-H159 PolarHBondContact O-N 3.49Å; M114-Y160 HydrophobicContact CE-CD1 4.34Å; M114-Y160 HydrophobicContact CE-CE1 3.77Å
115Y97.7Very high98.1Very high118 Ų11834.3 Ų34.346%0.46317%0.165SC..G310 helixtrans-100.12.5175.4-56-59.5000113.6W111 L112 L113 T158W111-Y115 HydrophobicContact CB-CE2 4.25Å; W111-Y115 WeakPolarHBondContact O-CE2 3.37Å; L112-Y115 WeakPolarHBondContact O-CB 3.26Å; L112-Y115 PolarHBondContact O-N 3.42Å; L113-Y115 PolarHBondContact O-N 3.11Å; Y115-T158 HydrophobicContact CE1-CG2 4.46Å
116L98.5Very high98Very high12 Ų1238.6 Ų38.66%0.06318%0.184CC..SBendtrans-108.2152.2178.8-52.7-173.3000109.7V92 T93 L113 E120 V121 M124 H159 R161V92-L116 HydrophobicContact CG2-CD1 4.2Å; V92-L116 HydrophobicContact CG2-CD2 4.14Å; T93-L116 HydrophobicContact CG2-CD1 4.38Å; T93-L116 HydrophobicContact CG2-CD2 3.56Å; L113-L116 HydrophobicContact CD2-CD1 3.98Å; L113-L116 PolarHBondContact O-N 3.11Å; L113-L116 VanDerWaalsContact O-N 3.16Å; L116-E120 HydrophobicContact CB-CB 3.86Å; L116-V121 HydrophobicContact CB-CG2 3.86Å; L116-M124 HydrophobicContact CD1-CB 4.39Å; L116-M124 HydrophobicContact CD1-CG 3.68Å; L116-H159 PolarHBondContact O-CD2 3.26Å; L116-H159 VanDerWaalsContact O-CD2 3.27Å; L116-R161 PolarHBondContact O-NH2 3.45Å
117S98.4Very high97.9Very high43 Ų4340.5 Ų40.530%0.30119%0.19SC..  trans-69.9165.216768.20000111.6K119 E120 V121 R161S117-K119 VanDerWaalsContact C-N 3.27Å; S117-K119 PolarHBondContact O-N 3.13Å; S117-E120 VanDerWaalsContact CB-OE2 3.22Å; S117-E120 WeakPolarHBondContact CB-OE2 3.22Å; S117-E120 PolarHBondContact N-OE2 3.25Å; S117-E120 PolarHBondContact O-N 3.22Å; S117-E120 VanDerWaalsContact O-N 3.08Å; S117-E120 VanDerWaalsContact OG-CD 3.22Å; S117-E120 VanDerWaalsContact OG-CG 3.32Å; S117-E120 WeakPolarHBondContact OG-CG 3.43Å; S117-E120 PolarHBondContact OG-N 2.7Å; S117-E120 PolarHBondContact OG-OE2 2.89Å; S117-V121 WeakPolarHBondContact O-CG2 3.46Å; S117-V121 PolarHBondContact O-N 2.77Å; S117-R161 VanDerWaalsContact C-NH2 3.3Å
118D97.8Very high97.9Very high79 Ų7940.4 Ų40.442%0.42219%0.19SC..Hα-helixtrans-58.7-40.1-176.9-61.4-9.4000112.2V121 E122 R161 F165D118-V121 PolarHBondContact O-N 3.49Å; D118-E122 PolarHBondContact O-N 2.78Å; D118-E122 VanDerWaalsContact O-N 3.08Å; D118-R161 IonicContact OD1-CZ 3.71Å; D118-R161 IonicContact OD1-NE 3.96Å; D118-R161 PolarHBondContact OD1-NE 2.97Å; D118-R161 IonicContact OD1-NH2 2.65Å; D118-R161 PolarHBondContact OD1-NH2 3.44Å; D118-F165 HydrophobicContact CB-CE2 3.9Å; D118-F165 HydrophobicContact CB-CZ 3.8Å
119K97.7Very high97.8Very high141 Ų14140.4 Ų40.461%0.61319%0.19SC*.Hα-helixtrans-68-35.6176.9-74.7-72.9158.8-151.90112.9S117 V121 E122 L123S117-K119 VanDerWaalsContact C-N 3.27Å; S117-K119 PolarHBondContact O-N 3.13Å; K119-V121 VanDerWaalsContact C-N 3.35Å; K119-E122 IonicContact NZ-OE1 3.86Å; K119-E122 PolarHBondContact NZ-OE1 3.16Å; K119-E122 IonicContact NZ-OE2 3.85Å; K119-E122 PolarHBondContact NZ-OE2 2.62Å; K119-L123 WeakPolarHBondContact O-CB 3.21Å; K119-L123 PolarHBondContact O-N 2.94Å
120E98.4Very high97.8Very high70 Ų7040.7 Ų40.733%0.32719%0.193SC..Hα-helixtrans-70.7-33.1175.5-72.9162.7146.400111.5T93 L116 S117 M124T93-E120 HydrophobicContact CG2-CB 4.02Å; T93-E120 HydrophobicContact CG2-CG 3.96Å; L116-E120 HydrophobicContact CB-CB 3.86Å; S117-E120 VanDerWaalsContact CB-OE2 3.22Å; S117-E120 WeakPolarHBondContact CB-OE2 3.22Å; S117-E120 PolarHBondContact N-OE2 3.25Å; S117-E120 PolarHBondContact O-N 3.22Å; S117-E120 VanDerWaalsContact O-N 3.08Å; S117-E120 VanDerWaalsContact OG-CD 3.22Å; S117-E120 VanDerWaalsContact OG-CG 3.32Å; S117-E120 WeakPolarHBondContact OG-CG 3.43Å; S117-E120 PolarHBondContact OG-N 2.7Å; S117-E120 PolarHBondContact OG-OE2 2.89Å; E120-M124 VanDerWaalsContact O-CB 3.3Å; E120-M124 WeakPolarHBondContact O-CB 3.41Å; E120-M124 VanDerWaalsContact O-CG 3.28Å; E120-M124 WeakPolarHBondContact O-CG 3.32Å; E120-M124 PolarHBondContact O-N 2.79Å
121V98.5Very high97.8Very high0 Ų040.3 Ų40.30%019%0.191CC..Hα-helixtrans-66.3-45.2172.7-1800000111.2L113 L116 S117 D118 K119 L123 M124 A125 F165 Y166 V169 F170L113-V121 HydrophobicContact CB-CG1 4.5Å; L113-V121 HydrophobicContact CB-CG2 4.09Å; L113-V121 HydrophobicContact CD1-CG1 4.26Å; L113-V121 HydrophobicContact CD2-CG1 4.44Å; L116-V121 HydrophobicContact CB-CG2 3.86Å; S117-V121 WeakPolarHBondContact O-CG2 3.46Å; S117-V121 PolarHBondContact O-N 2.77Å; D118-V121 PolarHBondContact O-N 3.49Å; K119-V121 VanDerWaalsContact C-N 3.35Å; V121-L123 PolarHBondContact O-N 2.92Å; V121-M124 PolarHBondContact O-N 3.1Å; V121-A125 PolarHBondContact O-N 3.09Å; V121-F165 HydrophobicContact CB-CE1 4Å; V121-F165 HydrophobicContact CB-CZ 4.24Å; V121-F165 HydrophobicContact CG1-CE1 3.84Å; V121-F165 HydrophobicContact CG1-CZ 4.43Å; V121-F165 HydrophobicContact CG2-CE1 4.29Å; V121-Y166 HydrophobicContact CG1-CD1 4.29Å; V121-Y166 HydrophobicContact CG1-CE1 4.41Å; V121-V169 HydrophobicContact CG1-CG1 4.23Å; V121-F170 HydrophobicContact CG1-CE2 4.38Å
122E96.8Very high97.8Very high79 Ų7938.9 Ų38.937%0.36919%0.185SC..Hα-helixtrans-55.5-49.5174.1-72.4172.4-168.900111.4D118 K119 M124 A125 E126 V169D118-E122 PolarHBondContact O-N 2.78Å; D118-E122 VanDerWaalsContact O-N 3.08Å; K119-E122 IonicContact NZ-OE1 3.86Å; K119-E122 PolarHBondContact NZ-OE1 3.16Å; K119-E122 IonicContact NZ-OE2 3.85Å; K119-E122 PolarHBondContact NZ-OE2 2.62Å; E122-M124 PolarHBondContact O-N 3.14Å; E122-A125 PolarHBondContact O-N 3.3Å; E122-E126 PolarHBondContact O-N 2.92Å; E122-V169 HydrophobicContact CB-CG1 4.47Å; E122-V169 HydrophobicContact CG-CG1 4.14Å; E122-V169 HydrophobicContact CG-CG2 4.09Å
123L96.8Very high97.8Very high79 Ų7941.3 Ų41.341%0.41420%0.195SC..Hα-helixtrans-62-42.3177.3-179.664.2000111.8K119 V121 A125 E126 R127K119-L123 WeakPolarHBondContact O-CB 3.21Å; K119-L123 PolarHBondContact O-N 2.94Å; V121-L123 PolarHBondContact O-N 2.92Å; L123-A125 PolarHBondContact O-N 2.71Å; L123-E126 PolarHBondContact O-N 2.78Å; L123-R127 VanDerWaalsContact O-CG 3.31Å; L123-R127 WeakPolarHBondContact O-CG 3.3Å; L123-R127 PolarHBondContact O-N 3.04Å
124M98Very high97.6Very high1 Ų145.1 Ų45.11%0.00522%0.22CC..Hα-helixtrans-64.3-39.2178.7-81.8-54.1-56.100112.4L44 V92 L116 E120 V121 E122 E126 R127 M128 W131L44-M124 HydrophobicContact CD1-CE 4.13Å; V92-M124 HydrophobicContact CB-CE 3.89Å; V92-M124 HydrophobicContact CB-SD 3.88Å; V92-M124 HydrophobicContact CG2-CE 4.4Å; V92-M124 HydrophobicContact CG2-CG 4.47Å; V92-M124 HydrophobicContact CG2-SD 4.14Å; L116-M124 HydrophobicContact CD1-CB 4.39Å; L116-M124 HydrophobicContact CD1-CG 3.68Å; E120-M124 VanDerWaalsContact O-CB 3.3Å; E120-M124 WeakPolarHBondContact O-CB 3.41Å; E120-M124 VanDerWaalsContact O-CG 3.28Å; E120-M124 WeakPolarHBondContact O-CG 3.32Å; E120-M124 PolarHBondContact O-N 2.79Å; V121-M124 PolarHBondContact O-N 3.1Å; E122-M124 PolarHBondContact O-N 3.14Å; M124-E126 VanDerWaalsContact C-N 3.34Å; M124-E126 PolarHBondContact O-N 3.31Å; M124-R127 PolarHBondContact O-N 2.75Å; M124-M128 HydrophobicContact CB-CE 4.39Å; M124-M128 HydrophobicContact CE-CE 3.54Å; M124-M128 HydrophobicContact CE-CG 4.23Å; M124-M128 WeakPolarHBondContact O-CB 3.44Å; M124-M128 WeakPolarHBondContact O-CG 3.45Å; M124-M128 PolarHBondContact O-N 2.74Å; M124-W131 HydrophobicContact CE-CH2 4.16Å; M124-W131 HydrophobicContact CE-CZ3 3.93Å
125A97.5Very high97.5Very high0 Ų046.5 Ų46.50%024%0.236CC..Hα-helixtrans-59.4-45.8174.900000111.2V121 E122 L123 R127 M128 I129 V169 F170 C173V121-A125 PolarHBondContact O-N 3.09Å; E122-A125 PolarHBondContact O-N 3.3Å; L123-A125 PolarHBondContact O-N 2.71Å; A125-R127 VanDerWaalsContact C-N 3.34Å; A125-R127 PolarHBondContact O-N 3.39Å; A125-M128 PolarHBondContact O-N 3.43Å; A125-I129 PolarHBondContact O-N 2.76Å; A125-V169 HydrophobicContact CB-CG1 3.82Å; A125-F170 HydrophobicContact CB-CD1 4.15Å; A125-F170 HydrophobicContact CB-CD2 4.17Å; A125-F170 HydrophobicContact CB-CE1 4Å; A125-F170 HydrophobicContact CB-CE2 4.03Å; A125-F170 HydrophobicContact CB-CG 4.24Å; A125-F170 HydrophobicContact CB-CZ 3.95Å; A125-C173 PolarHBondContact O-SG 2.82Å
126E96.3Very high97.5Very high118 Ų11841.1 Ų41.155%0.55122%0.215SC*.Hα-helixtrans-60.7-40.4176.7-169.8-177.8179.400112.5E122 L123 M124 I129 G130 C173E122-E126 PolarHBondContact O-N 2.92Å; L123-E126 PolarHBondContact O-N 2.78Å; M124-E126 VanDerWaalsContact C-N 3.34Å; M124-E126 PolarHBondContact O-N 3.31Å; E126-I129 WeakPolarHBondContact O-CG2 3.5Å; E126-G130 PolarHBondContact O-N 2.78Å; E126-C173 VanDerWaalsContact CA-SG 3.53Å; E126-C173 PolarHBondContact N-SG 3.3Å
127R97.4Very high97.5Very high42 Ų4242.9 Ų42.916%0.15822%0.222CC..Hα-helixtrans-68.3-45.4176.1-66.1-178.380.2174.716.4112V92 S94 L97 L123 M124 A125 I129 G130 W131V92-R127 PolarHBondContact O-NH1 3.46Å; S94-R127 PolarHBondContact O-NH1 2.79Å; S94-R127 PolarHBondContact O-NH2 2.84Å; L97-R127 PolarHBondContact O-NH2 3.46Å; L123-R127 VanDerWaalsContact O-CG 3.31Å; L123-R127 WeakPolarHBondContact O-CG 3.3Å; L123-R127 PolarHBondContact O-N 3.04Å; M124-R127 PolarHBondContact O-N 2.75Å; A125-R127 VanDerWaalsContact C-N 3.34Å; A125-R127 PolarHBondContact O-N 3.39Å; R127-I129 PolarHBondContact O-N 2.84Å; R127-G130 WeakPolarHBondContact O-CA 3.15Å; R127-G130 PolarHBondContact O-N 3.11Å; R127-G130 VanDerWaalsContact O-N 3.09Å; R127-W131 HydrophobicContact CB-CD2 4.36Å; R127-W131 HydrophobicContact CB-CE3 4.48Å; R127-W131 HydrophobicContact CB-CH2 3.97Å; R127-W131 HydrophobicContact CB-CZ2 3.84Å; R127-W131 HydrophobicContact CB-CZ3 4.29Å; R127-W131 HydrophobicContact CG-CZ2 4.45Å; R127-W131 PolarHBondContact O-N 3.49Å
128M98.4Very high97.5Very high0 Ų040.9 Ų40.90%021%0.208CC..Hα-helixtrans-61.7-42.5-179.1-71.8-177.1-168.300111.7L44 I107 L113 M124 A125 G130 W131 V132 I138 F170L44-M128 HydrophobicContact CD1-CE 3.6Å; I107-M128 HydrophobicContact CD1-CB 3.76Å; I107-M128 HydrophobicContact CD1-CG 3.98Å; I107-M128 WeakPolarHBondContact CD1-O 3.41Å; I107-M128 HydrophobicContact CG2-CG 4.28Å; I107-M128 HydrophobicContact CG2-SD 4.18Å; L113-M128 HydrophobicContact CD2-CE 4.28Å; M124-M128 HydrophobicContact CB-CE 4.39Å; M124-M128 HydrophobicContact CE-CE 3.54Å; M124-M128 HydrophobicContact CE-CG 4.23Å; M124-M128 WeakPolarHBondContact O-CB 3.44Å; M124-M128 WeakPolarHBondContact O-CG 3.45Å; M124-M128 PolarHBondContact O-N 2.74Å; A125-M128 PolarHBondContact O-N 3.43Å; M128-G130 VanDerWaalsContact C-N 3.28Å; M128-G130 PolarHBondContact O-N 3.1Å; M128-W131 HydrophobicContact CG-CE3 4.41Å; M128-W131 HydrophobicContact CG-CZ3 4.48Å; M128-W131 PolarHBondContact O-N 2.83Å; M128-V132 WeakPolarHBondContact O-CG1 3.37Å; M128-V132 PolarHBondContact O-N 3.15Å; M128-I138 HydrophobicContact CB-CD1 3.68Å; M128-I138 HydrophobicContact CB-CG1 4.32Å; M128-I138 HydrophobicContact SD-CG2 3.82Å; M128-F170 HydrophobicContact SD-CE1 4.1Å; M128-F170 HydrophobicContact SD-CZ 4.19Å
129I97.4Very high97.5Very high0 Ų037.1 Ų37.10%019%0.187CC..Hα-helixtrans-64.9-32.9175-165.7-179.5000111.6A125 E126 R127 C173 T175 L185 K212A125-I129 PolarHBondContact O-N 2.76Å; E126-I129 WeakPolarHBondContact O-CG2 3.5Å; R127-I129 PolarHBondContact O-N 2.84Å; I129-C173 WeakPolarHBondContact CG2-SG 3.42Å; I129-T175 HydrophobicContact CB-CG2 4.47Å; I129-T175 HydrophobicContact CD1-CG2 3.83Å; I129-T175 HydrophobicContact CG1-CG2 3.76Å; I129-T175 HydrophobicContact CG2-CG2 4.11Å; I129-L185 HydrophobicContact CB-CD2 4.33Å; I129-L185 HydrophobicContact CB-CG 4.44Å; I129-L185 HydrophobicContact CD1-CD2 4.16Å; I129-L185 HydrophobicContact CD1-CG 3.94Å; I129-L185 HydrophobicContact CG1-CD2 3.87Å; I129-L185 HydrophobicContact CG1-CG 4.12Å; I129-K212 HydrophobicContact CG1-CD 4.07Å; I129-K212 HydrophobicContact CG1-CG 4.25Å; I129-K212 WeakPolarHBondContact O-CD 3.4Å; I129-K212 WeakPolarHBondContact O-CE 3.5Å; I129-K212 PolarHBondContact O-NZ 3.1Å
130G97.1Very high97.5Very high7 Ų730.4 Ų30.47%0.07216%0.158CC..Hα-helixtrans-65.7-47.5173.400000112.7D101 G102 E126 R127 M128D101-G130 CarbonylContact C-O 3.58Å; D101-G130 WeakPolarHBondContact CA-O 3.37Å; D101-G130 WeakPolarHBondContact CB-O 3.43Å; G102-G130 PolarHBondContact N-O 3Å; E126-G130 PolarHBondContact O-N 2.78Å; R127-G130 WeakPolarHBondContact O-CA 3.15Å; R127-G130 PolarHBondContact O-N 3.11Å; R127-G130 VanDerWaalsContact O-N 3.09Å; M128-G130 VanDerWaalsContact C-N 3.28Å; M128-G130 PolarHBondContact O-N 3.1Å
131W98.3Very high97.5Very high8 Ų827 Ų273%0.0314%0.143CC..Hα-helixtrans-67.2-36.8-177.1-62.8-21.3000114.1L42 L44 L97 I99 G102 S103 I104 I107 M124 R127 M128L42-W131 HydrophobicContact CD2-CE3 3.9Å; L42-W131 HydrophobicContact CD2-CZ3 4.23Å; L44-W131 HydrophobicContact CD1-CZ3 4.46Å; L97-W131 HydrophobicContact CD2-CH2 3.93Å; L97-W131 HydrophobicContact CD2-CZ2 4.41Å; I99-W131 HydrophobicContact CB-CD2 3.88Å; I99-W131 HydrophobicContact CB-CG 3.97Å; I99-W131 HydrophobicContact CB-CZ2 4.09Å; I99-W131 HydrophobicContact CD1-CD2 4.19Å; I99-W131 HydrophobicContact CD1-CE3 4.04Å; I99-W131 HydrophobicContact CD1-CH2 3.98Å; I99-W131 HydrophobicContact CD1-CZ2 4.1Å; I99-W131 HydrophobicContact CD1-CZ3 3.96Å; I99-W131 HydrophobicContact CG1-CZ2 4.22Å; I99-W131 HydrophobicContact CG2-CB 4.1Å; I99-W131 HydrophobicContact CG2-CD2 3.96Å; I99-W131 HydrophobicContact CG2-CG 3.7Å; I99-W131 PolarHBondContact O-NE1 3.41Å; G102-W131 PolarHBondContact N-O 3.2Å; S103-W131 PolarHBondContact N-O 2.87Å; I104-W131 PolarHBondContact N-O 3.42Å; I104-W131 VanDerWaalsContact N-O 3.11Å; I107-W131 HydrophobicContact CD1-CB 4.05Å; I107-W131 HydrophobicContact CD1-CE3 4.2Å; M124-W131 HydrophobicContact CE-CH2 4.16Å; M124-W131 HydrophobicContact CE-CZ3 3.93Å; R127-W131 HydrophobicContact CB-CD2 4.36Å; R127-W131 HydrophobicContact CB-CE3 4.48Å; R127-W131 HydrophobicContact CB-CH2 3.97Å; R127-W131 HydrophobicContact CB-CZ2 3.84Å; R127-W131 HydrophobicContact CB-CZ3 4.29Å; R127-W131 HydrophobicContact CG-CZ2 4.45Å; R127-W131 PolarHBondContact O-N 3.49Å; M128-W131 HydrophobicContact CG-CE3 4.41Å; M128-W131 HydrophobicContact CG-CZ3 4.48Å; M128-W131 PolarHBondContact O-N 2.83Å
132V98.4Very high97.4Very high0 Ų027 Ų270%014%0.143CC..EExtended strand (participates in β ladder)trans-76.6139.9-177.678.60000111.5I104 I107 M128 G136 I138 K212I104-V132 CarbonylContact O-C 3.58Å; I104-V132 VanDerWaalsContact O-CA 3.32Å; I104-V132 WeakPolarHBondContact O-CA 3.32Å; I104-V132 WeakPolarHBondContact O-CG2 3.43Å; I107-V132 HydrophobicContact CD1-CB 4.24Å; M128-V132 WeakPolarHBondContact O-CG1 3.37Å; M128-V132 PolarHBondContact O-N 3.15Å; V132-G136 VanDerWaalsContact CG2-C 3.45Å; V132-I138 HydrophobicContact CG1-CD1 4.43Å; V132-I138 HydrophobicContact CG1-CG1 4.44Å; V132-K212 HydrophobicContact CG1-CB 3.74Å; V132-K212 HydrophobicContact CG1-CD 3.59Å; V132-K212 HydrophobicContact CG1-CG 4.3Å; V132-K212 VanDerWaalsContact O-CD 3.28Å; V132-K212 WeakPolarHBondContact O-CD 3.23Å; V132-K212 PolarHBondContact O-NZ 2.87Å
133K97.8Very high97.3Very high66 Ų6623.7 Ų23.729%0.28713%0.128SC..EExtended strand (participates in β ladder)trans-64.7152.2174.4-69.6171.4-167.5167.10110.8G102 S103 I104 D105 G135 G136G102-K133 VanDerWaalsContact O-CG 3.22Å; G102-K133 WeakPolarHBondContact O-CG 3.48Å; S103-K133 VanDerWaalsContact O-CE 3.26Å; S103-K133 WeakPolarHBondContact O-CE 3.33Å; I104-K133 PolarHBondContact O-N 2.98Å; D105-K133 VanDerWaalsContact CG-NZ 3.3Å; D105-K133 WeakPolarHBondContact OD1-CD 3.35Å; D105-K133 IonicContact OD1-NZ 3.12Å; D105-K133 PolarHBondContact OD1-NZ 3.27Å; D105-K133 IonicContact OD2-NZ 2.72Å; D105-K133 PolarHBondContact OD2-NZ 3.24Å; K133-G135 PolarHBondContact O-N 2.98Å; K133-G136 WeakPolarHBondContact O-CA 3.47Å; K133-G136 PolarHBondContact O-N 3.13Å
134P95.2Very high97Very high80 Ų8019.9 Ų19.952%0.51911%0.108SC..EExtended strand (participates in β ladder)trans-51.6129.2162.1-24.835.4000110.6G136 F183P134-G136 VanDerWaalsContact C-N 3.26Å; P134-G136 PolarHBondContact O-N 3.4Å; P134-F183 HydrophobicContact CB-CD1 4.26Å; P134-F183 HydrophobicContact CB-CE1 3.7Å; P134-F183 HydrophobicContact CB-CZ 4.37Å; P134-F183 HydrophobicContact CG-CD1 4.21Å; P134-F183 HydrophobicContact CG-CE1 3.55Å; P134-F183 HydrophobicContact CG-CZ 3.75Å
135G94.6Very high96.5Very high34 Ų3421.9 Ų21.935%0.35112%0.117SC..EExtended strand (participates in β ladder)trans81.8-9.2-173.300000115.3K133 Y137 Q211 K212K133-G135 PolarHBondContact O-N 2.98Å; G135-Y137 WeakPolarHBondContact O-CE2 3.24Å; G135-Q211 PolarHBondContact O-NE2 2.85Å; G135-K212 WeakPolarHBondContact CA-O 3.4Å; G135-K212 PolarHBondContact N-O 3.38Å
136G97.6Very high96Very high4 Ų426.3 Ų26.34%0.04114%0.137CC..EExtended strand (participates in β ladder)trans-78.4171173.700000112.7D105 V132 K133 P134 Q211 K212D105-G136 CarbonylContact O-C 3.6Å; D105-G136 WeakPolarHBondContact O-CA 3.31Å; V132-G136 VanDerWaalsContact CG2-C 3.45Å; K133-G136 WeakPolarHBondContact O-CA 3.47Å; K133-G136 PolarHBondContact O-N 3.13Å; P134-G136 VanDerWaalsContact C-N 3.26Å; P134-G136 PolarHBondContact O-N 3.4Å; G136-Q211 WeakPolarHBondContact O-CA 3.41Å; G136-K212 PolarHBondContact O-N 3.11Å
137Y98.4Very high95.7Very high49 Ų4923.6 Ų23.619%0.19213%0.125CC..EExtended strand (participates in β ladder)trans-122.1152.8-167.2-61-90.9000114.1P34 D105 L106 I107 G135 V188 I209 W210 Q211P34-Y137 HydrophobicContact CB-CD1 3.73Å; P34-Y137 HydrophobicContact CB-CD2 3.63Å; P34-Y137 HydrophobicContact CB-CE1 4.08Å; P34-Y137 HydrophobicContact CB-CE2 4Å; P34-Y137 HydrophobicContact CB-CG 3.49Å; P34-Y137 VanDerWaalsContact CB-CG 3.49Å; P34-Y137 HydrophobicContact CG-CD1 3.66Å; P34-Y137 HydrophobicContact CG-CD2 4.33Å; P34-Y137 HydrophobicContact CG-CE1 4.31Å; P34-Y137 HydrophobicContact CG-CG 3.67Å; D105-Y137 PolarHBondContact O-N 2.59Å; L106-Y137 CarbonylContact C-O 3.59Å; L106-Y137 WeakPolarHBondContact CA-O 3.44Å; I107-Y137 PolarHBondContact N-O 3.37Å; G135-Y137 WeakPolarHBondContact O-CE2 3.24Å; Y137-V188 HydrophobicContact CD1-CG2 4.49Å; Y137-V188 HydrophobicContact CE1-CG2 4.18Å; Y137-I209 HydrophobicContact CD1-CG2 4.28Å; Y137-W210 CarbonylContact C-O 3.57Å; Y137-W210 WeakPolarHBondContact CA-O 3.19Å; Y137-W210 WeakPolarHBondContact CB-O 3.4Å; Y137-W210 WeakPolarHBondContact CD1-O 3.43Å; Y137-Q211 HydrophobicContact CD1-CB 3.75Å; Y137-Q211 HydrophobicContact CD1-CG 3.98Å; Y137-Q211 HydrophobicContact CE1-CB 3.64Å; Y137-Q211 HydrophobicContact CE1-CG 3.64Å; Y137-Q211 PolarHBondContact OH-NE2 3.35Å; Y137-Q211 VanDerWaalsContact OH-NE2 3.11Å
138I98.7Very high95.1Very high1 Ų122.2 Ų22.21%0.00512%0.121CC..EExtended strand (participates in β ladder)trans-121.4121.4167.4-56.5164.5000107.3I107 M128 V132 F140 F170 L185 W210I107-I138 HydrophobicContact CB-CG1 4.33Å; I107-I138 HydrophobicContact CB-CG2 4.42Å; I107-I138 HydrophobicContact CD1-CG1 4.33Å; I107-I138 CarbonylContact O-C 3.49Å; I107-I138 WeakPolarHBondContact O-CA 3.29Å; M128-I138 HydrophobicContact CB-CD1 3.68Å; M128-I138 HydrophobicContact CB-CG1 4.32Å; M128-I138 HydrophobicContact SD-CG2 3.82Å; V132-I138 HydrophobicContact CG1-CD1 4.43Å; V132-I138 HydrophobicContact CG1-CG1 4.44Å; I138-F140 HydrophobicContact CG2-CD1 4.18Å; I138-F170 HydrophobicContact CG2-CE1 4.18Å; I138-L185 HydrophobicContact CD1-CD1 3.82Å; I138-L185 HydrophobicContact CD1-CD2 3.84Å; I138-W210 HydrophobicContact CB-CB 4.3Å; I138-W210 PolarHBondContact N-O 2.89Å; I138-W210 PolarHBondContact O-N 3.49Å
139F98.5Very high94.4Very high0 Ų022.9 Ų22.90%013%0.128CC..EExtended strand (participates in β ladder)trans-110.3126.4170.1-178.8-77.4000108.6V29 L32 L106 I107 F108 S109 R141 C207 W208 I209V29-F139 HydrophobicContact CG1-CE1 4.05Å; V29-F139 HydrophobicContact CG1-CZ 4.04Å; L32-F139 HydrophobicContact CB-CE2 3.94Å; L106-F139 HydrophobicContact CD1-CB 4.31Å; I107-F139 PolarHBondContact O-N 3.23Å; F108-F139 CarbonylContact C-O 3.52Å; F108-F139 WeakPolarHBondContact CA-O 3.47Å; F108-F139 HydrophobicContact CD2-CB 4.17Å; F108-F139 AromaticContact CD2-CD1 3.4Å; F108-F139 HydrophobicContact CD2-CD1 3.4Å; F108-F139 HydrophobicContact CD2-CE1 4.05Å; F108-F139 AromaticContact CD2-CG 3.97Å; F108-F139 HydrophobicContact CD2-CG 3.97Å; F108-F139 AromaticContact CE2-CD1 3.52Å; F108-F139 HydrophobicContact CE2-CD1 3.52Å; F108-F139 AromaticContact CE2-CE1 3.66Å; F108-F139 HydrophobicContact CE2-CE1 3.66Å; F108-F139 HydrophobicContact CE2-CG 4.38Å; S109-F139 PolarHBondContact N-O 2.78Å; F139-R141 HydrophobicContact CE1-CB 4.09Å; F139-C207 HydrophobicContact CE1-CB 4.32Å; F139-C207 HydrophobicContact CE2-CB 4.05Å; F139-C207 HydrophobicContact CZ-CB 3.65Å; F139-W208 WeakPolarHBondContact CA-O 3.48Å; F139-I209 HydrophobicContact CD2-CG1 3.93Å; F139-I209 HydrophobicContact CE2-CG1 4.28Å
140F98.4Very high93.9Very high0 Ų026.8 Ų26.80%015%0.149CC..EExtended strand (participates in β ladder)trans-139151.8167.165.2-96.3000111.1S109 L113 I138 E142 Y166 F170 C207 W208 W210S109-F140 WeakPolarHBondContact O-CA 3.23Å; S109-F140 VanDerWaalsContact OG-CB 3.23Å; S109-F140 WeakPolarHBondContact OG-CB 3.21Å; L113-F140 HydrophobicContact CD1-CB 4.44Å; L113-F140 HydrophobicContact CD1-CD1 4.32Å; L113-F140 HydrophobicContact CD1-CD2 3.72Å; L113-F140 HydrophobicContact CD1-CE2 3.93Å; L113-F140 HydrophobicContact CD1-CG 3.93Å; L113-F140 HydrophobicContact CD1-CZ 4.33Å; I138-F140 HydrophobicContact CG2-CD1 4.18Å; F140-E142 HydrophobicContact CD2-CG 4.15Å; F140-Y166 HydrophobicContact CE2-CD1 4.43Å; F140-Y166 HydrophobicContact CE2-CG 4.18Å; F140-F170 HydrophobicContact CD1-CD1 4.49Å; F140-F170 AromaticContact CD1-CE1 3.98Å; F140-F170 HydrophobicContact CD1-CE1 3.98Å; F140-F170 HydrophobicContact CD1-CE2 4.26Å; F140-F170 AromaticContact CD1-CZ 3.85Å; F140-F170 HydrophobicContact CD1-CZ 3.85Å; F140-F170 AromaticContact CE1-CD1 3.71Å; F140-F170 HydrophobicContact CE1-CD1 3.71Å; F140-F170 AromaticContact CE1-CD2 3.69Å; F140-F170 HydrophobicContact CE1-CD2 3.69Å; F140-F170 AromaticContact CE1-CE1 3.59Å; F140-F170 HydrophobicContact CE1-CE1 3.59Å; F140-F170 AromaticContact CE1-CE2 3.55Å; F140-F170 HydrophobicContact CE1-CE2 3.55Å; F140-F170 AromaticContact CE1-CG 3.77Å; F140-F170 HydrophobicContact CE1-CG 3.77Å; F140-F170 AromaticContact CE1-CZ 3.5Å; F140-F170 HydrophobicContact CE1-CZ 3.5Å; F140-F170 VanDerWaalsContact CE1-CZ 3.5Å; F140-F170 AromaticContact CZ-CD2 3.71Å; F140-F170 HydrophobicContact CZ-CD2 3.71Å; F140-F170 AromaticContact CZ-CE2 3.71Å; F140-F170 HydrophobicContact CZ-CE2 3.71Å; F140-F170 HydrophobicContact CZ-CG 4.13Å; F140-F170 HydrophobicContact CZ-CZ 4.14Å; F140-C207 CarbonylContact O-C 3.57Å; F140-C207 VanDerWaalsContact O-CA 3.25Å; F140-C207 WeakPolarHBondContact O-CA 3.05Å; F140-W208 HydrophobicContact CD1-CB 4.31Å; F140-W208 HydrophobicContact CD2-CB 4.36Å; F140-W208 HydrophobicContact CD2-CD2 4.15Å; F140-W208 AromaticContact CD2-CE3 3.49Å; F140-W208 HydrophobicContact CD2-CE3 3.49Å; F140-W208 VanDerWaalsContact CD2-CE3 3.49Å; F140-W208 HydrophobicContact CD2-CZ3 4.11Å; F140-W208 HydrophobicContact CE1-CB 3.85Å; F140-W208 HydrophobicContact CE1-CG 4.33Å; F140-W208 HydrophobicContact CE2-CB 3.91Å; F140-W208 AromaticContact CE2-CD2 3.37Å; F140-W208 HydrophobicContact CE2-CD2 3.37Å; F140-W208 AromaticContact CE2-CE3 3.09Å; F140-W208 HydrophobicContact CE2-CE3 3.09Å; F140-W208 AromaticContact CE2-CG 3.75Å; F140-W208 HydrophobicContact CE2-CG 3.75Å; F140-W208 AromaticContact CE2-CZ3 3.74Å; F140-W208 HydrophobicContact CE2-CZ3 3.74Å; F140-W208 HydrophobicContact CZ-CB 3.62Å; F140-W208 AromaticContact CZ-CD2 3.75Å; F140-W208 HydrophobicContact CZ-CD2 3.75Å; F140-W208 AromaticContact CZ-CE3 3.95Å; F140-W208 HydrophobicContact CZ-CE3 3.95Å; F140-W208 AromaticContact CZ-CG 3.62Å; F140-W208 HydrophobicContact CZ-CG 3.62Å; F140-W208 PolarHBondContact N-O 2.82Å; F140-W208 VanDerWaalsContact N-O 3.14Å; F140-W208 PolarHBondContact O-N 3.29Å; F140-W210 AromaticContact CE1-CD1 3.54Å; F140-W210 AromaticContact CE1-NE1 3.24Å; F140-W210 AromaticContact CZ-NE1 3.62Å
141R97.2Very high93.3Very high0 Ų028.4 Ų28.40%016%0.159CC..EExtended strand (participates in β ladder)trans-134.5134177.6177.4-76.8-171.396.2-4.2109.3E25 S109 N110 W111 F139 I193 I206 C207E25-R141 IonicContact OE1-CZ 3.21Å; E25-R141 IonicContact OE1-NH1 2.78Å; E25-R141 PolarHBondContact OE1-NH1 3.19Å; E25-R141 IonicContact OE1-NH2 3.5Å; S109-R141 PolarHBondContact O-N 3.27Å; N110-R141 PolarHBondContact ND2-NH1 2.81Å; N110-R141 WeakPolarHBondContact OD1-CD 3.23Å; N110-R141 PolarHBondContact OD1-NH1 3.31Å; W111-R141 WeakPolarHBondContact CA-O 3.28Å; W111-R141 PolarHBondContact N-O 3.28Å; W111-R141 VanDerWaalsContact NE1-NE 3.16Å; F139-R141 HydrophobicContact CE1-CB 4.09Å; R141-I193 HydrophobicContact CG-CD1 4.35Å; R141-I193 HydrophobicContact CG-CG1 4.11Å; R141-I206 CarbonylContact C-O 3.6Å; R141-I206 VanDerWaalsContact CA-O 3.28Å; R141-I206 WeakPolarHBondContact CA-O 3.37Å; R141-C207 HydrophobicContact CB-CB 3.83Å; R141-C207 HydrophobicContact CG-CB 4.06Å
142E96.4Very high92.5Very high0 Ų038 Ų380%020%0.201CC..EExtended strand (participates in β ladder)trans-133.1163.6-178.9-56.1-57.3156.900112.9L112 L113 M114 F140 Y166 I206 W208L112-E142 PolarHBondContact N-OE1 2.81Å; L112-E142 PolarHBondContact N-OE2 2.82Å; L112-E142 VanDerWaalsContact N-OE2 3.11Å; L113-E142 HydrophobicContact CB-CG 4.11Å; L113-E142 WeakPolarHBondContact CB-OE1 3.35Å; L113-E142 WeakPolarHBondContact CG-OE1 3.38Å; L113-E142 VanDerWaalsContact N-CD 3.3Å; L113-E142 PolarHBondContact N-OE1 2.79Å; L113-E142 PolarHBondContact N-OE2 3.29Å; M114-E142 WeakPolarHBondContact CB-OE2 3.49Å; M114-E142 WeakPolarHBondContact CG-OE2 3.24Å; M114-E142 PolarHBondContact N-OE2 3.43Å; M114-E142 VanDerWaalsContact N-OE2 3.12Å; F140-E142 HydrophobicContact CD2-CG 4.15Å; E142-Y166 HydrophobicContact CB-CE2 3.99Å; E142-Y166 HydrophobicContact CG-CE1 4.35Å; E142-Y166 HydrophobicContact CG-CE2 4.17Å; E142-I206 PolarHBondContact N-O 3.18Å; E142-I206 PolarHBondContact O-N 3.35Å; E142-W208 HydrophobicContact CB-CZ3 4.3Å; E142-W208 HydrophobicContact CG-CZ3 4.49Å
143S94.7Very high91.9Very high8 Ų840.4 Ų40.46%0.05621%0.21CC..EExtended strand (participates in β ladder)trans-88115.4164.3-59.20000109.6Q205S143-Q205 PolarHBondContact OG-NE2 2.84Å; S143-Q205 PolarHBondContact OG-OE1 2.83Å
144C90.7Very high91.3Very high0 Ų046.8 Ų46.80%024%0.238CC..  trans-95.3161176.6-72.20000112.4H146 R161 P163 N204 I206C144-H146 PolarHBondContact O-N 2.89Å; C144-R161 CarbonylContact C-O 3.57Å; C144-R161 WeakPolarHBondContact CA-O 3.49Å; C144-R161 VanDerWaalsContact CB-O 3.3Å; C144-R161 WeakPolarHBondContact CB-O 3.33Å; C144-P163 HydrophobicContact CB-CG 3.99Å; C144-N204 PolarHBondContact N-O 2.8Å; C144-N204 WeakPolarHBondContact O-CB 3.28Å; C144-I206 HydrophobicContact CB-CD1 4.29Å
145F86.9Confident91Very high42 Ų4246.6 Ų46.618%0.18424%0.238CC..SBendtrans64.1-57.2174.2-48.3-67000116.2R161 E162 P163 N204 I206 E307 I310F145-R161 PolarHBondContact N-O 3.21Å; F145-E162 HydrophobicContact CD1-CG 4.2Å; F145-E162 HydrophobicContact CE1-CB 4.26Å; F145-E162 HydrophobicContact CE1-CG 4.09Å; F145-P163 HydrophobicContact CE1-CG 4.05Å; F145-P163 HydrophobicContact CE2-CG 3.7Å; F145-P163 HydrophobicContact CZ-CG 3.31Å; F145-N204 HydrophobicContact CD2-CB 4.4Å; F145-I206 HydrophobicContact CE2-CD1 4.4Å; F145-E307 HydrophobicContact CE1-CG 4.34Å; F145-I310 HydrophobicContact CD1-CD1 3.35Å; F145-I310 HydrophobicContact CD1-CG1 4.31Å; F145-I310 HydrophobicContact CD2-CD1 3.61Å; F145-I310 HydrophobicContact CD2-CG1 3.63Å; F145-I310 HydrophobicContact CD2-CG2 4.39Å; F145-I310 HydrophobicContact CE1-CD1 3.08Å; F145-I310 HydrophobicContact CE1-CG1 4.02Å; F145-I310 HydrophobicContact CE2-CD1 3.38Å; F145-I310 HydrophobicContact CE2-CG1 3.3Å; F145-I310 HydrophobicContact CG-CD1 3.58Å; F145-I310 HydrophobicContact CG-CG1 4.11Å; F145-I310 HydrophobicContact CZ-CD1 3.07Å; F145-I310 HydrophobicContact CZ-CG1 3.49Å; F145-I310 VanDerWaalsContact CZ-CG1 3.49Å
146H87.6Confident90.8Very high93 Ų9347.6 Ų47.643%0.43124%0.236SC..SBendtrans-154.4171.6178.661.475.9000113C144 S148 Y160 N204C144-H146 PolarHBondContact O-N 2.89Å; H146-S148 PolarHBondContact O-N 3.48Å; H146-Y160 VanDerWaalsContact C-CD1 3.45Å; H146-Y160 WeakPolarHBondContact O-CD1 3.4Å; H146-N204 PolarHBondContact CD2-ND2 3.26Å; H146-N204 PolarHBondContact CE1-ND2 2.72Å; H146-N204 PolarHBondContact ND1-ND2 3.31Å; H146-N204 PolarHBondContact NE2-ND2 2.87Å
147Q89.3Confident90.7Very high62 Ų6252.5 Ų52.529%0.2927%0.267SS..  trans-54.6136175.5-178.2168.9-30.500112.3G149 N156 Y160Q147-G149 WeakPolarHBondContact CG-O 3.46Å; Q147-G149 PolarHBondContact NE2-O 3.24Å; Q147-N156 PolarHBondContact OE1-ND2 2.87Å; Q147-N156 VanDerWaalsContact OE1-ND2 3.1Å; Q147-Y160 VanDerWaalsContact CA-CE1 3.46Å; Q147-Y160 WeakPolarHBondContact CA-OH 3.18Å; Q147-Y160 HydrophobicContact CB-CE1 4.18Å; Q147-Y160 HydrophobicContact CB-CE2 3.75Å; Q147-Y160 VanDerWaalsContact CB-CZ 3.49Å; Q147-Y160 VanDerWaalsContact CB-OH 3.23Å; Q147-Y160 WeakPolarHBondContact CB-OH 3.19Å; Q147-Y160 VanDerWaalsContact CG-OH 3.26Å; Q147-Y160 WeakPolarHBondContact CG-OH 3.39Å
148S85.5Confident90.6Very high13 Ų1350.9 Ų50.99%0.09126%0.262CS..  trans-102.6-33.4177-68.70000114.2H146 K200 Q205H146-S148 PolarHBondContact O-N 3.48Å; S148-K200 VanDerWaalsContact O-CE 3.24Å; S148-K200 WeakPolarHBondContact O-CE 3.47Å; S148-Q205 VanDerWaalsContact CB-NE2 3.28Å; S148-Q205 PolarHBondContact OG-NE2 2.63Å
149G83.2Confident90.5Very high13 Ų1354.7 Ų54.713%0.13428%0.28CS..  trans-73.2144.3176.500000112.5L14 D15 Q147L14-G149 CarbonylContact O-C 3.54Å; L14-G149 VanDerWaalsContact O-CA 3.26Å; L14-G149 WeakPolarHBondContact O-CA 3.27Å; D15-G149 WeakPolarHBondContact OD2-CA 3.46Å; Q147-G149 WeakPolarHBondContact CG-O 3.46Å; Q147-G149 PolarHBondContact NE2-O 3.24Å
150D86.9Confident90.4Very high82 Ų8257.1 Ų57.144%0.43929%0.289SS..  trans-92.1-2.4179.2618.5000114.3L14 D15 S16L14-D150 PolarHBondContact O-N 3.17Å; D15-D150 WeakPolarHBondContact CA-OD1 3.27Å; D15-D150 PolarHBondContact OD2-N 3.09Å; S16-D150 WeakPolarHBondContact CB-OD2 3.37Å; S16-D150 PolarHBondContact N-OD1 3.46Å; S16-D150 PolarHBondContact OG-OD2 3.29Å
151S84.5Confident90.1Very high42 Ų4258 Ų5829%0.29429%0.293SS..  trans-65.9135.4-179.9-67.60000112.2L14 D15L14-S151 VanDerWaalsContact O-CB 3.23Å; L14-S151 WeakPolarHBondContact O-CB 3.33Å; L14-S151 PolarHBondContact O-N 3.41Å; L14-S151 PolarHBondContact O-OG 2.84Å; D15-S151 PolarHBondContact N-OG 3.34Å
152K82.7Confident89.6Confident208 Ų20861.6 Ų61.690%0.90431%0.309SS*.  trans-67.1135.1173.6-73.8-176.1178.3179.40110.4
153R84.7Confident89.1Confident52 Ų5261.8 Ų61.820%0.19631%0.31CS..  trans-127138.1179.4-52.8178.8-168.8-175.3-0.8109.3L14 N156 Y160L14-R153 VanDerWaalsContact CD1-CZ 3.49Å; L14-R153 VanDerWaalsContact CD1-NH2 3.31Å; R153-N156 PolarHBondContact NH1-ND2 3.15Å; R153-N156 PolarHBondContact NH1-OD1 3.36Å; R153-Y160 PolarHBondContact NH1-OH 2.91Å
154K85.4Confident88.4Confident200 Ų20068.4 Ų68.487%0.8733%0.334SS*.SBendtrans-73-39.3173.6-84.1-177.1177.7176.30111.7
155S88.8Confident88.4Confident76 Ų7670.6 Ų70.653%0.53134%0.344SS..  trans-137.1149.117353.60000108.6
156N91.7Very high88.7Confident55 Ų5568.6 Ų68.629%0.29434%0.335SS..  trans-14296.9177.6-176.813.6000109.8Q147 R153 T158 Y160Q147-N156 PolarHBondContact OE1-ND2 2.87Å; Q147-N156 VanDerWaalsContact OE1-ND2 3.1Å; R153-N156 PolarHBondContact NH1-ND2 3.15Å; R153-N156 PolarHBondContact NH1-OD1 3.36Å; N156-T158 PolarHBondContact O-N 2.72Å; N156-T158 WeakPolarHBondContact OD1-CB 3.44Å; N156-T158 PolarHBondContact OD1-N 3.05Å; N156-T158 PolarHBondContact OD1-OG1 3.34Å; N156-Y160 PolarHBondContact ND2-OH 2.93Å; N156-Y160 VanDerWaalsContact ND2-OH 3.11Å
157P94.4Very high88.6Confident106 Ų10664.4 Ų64.469%0.68832%0.316SS*.  trans-81.87.3179.334.5-36000113.4H159P157-H159 PolarHBondContact O-N 2.91Å
158T96Very high88.3Confident16 Ų1667 Ų6710%0.09833%0.326CS..  trans-64.8132.8-175.8-55.90000112.1M114 Y115 N156 Y160M114-T158 HydrophobicContact CB-CG2 4.02Å; M114-T158 HydrophobicContact CE-CG2 3.12Å; M114-T158 HydrophobicContact CG-CG2 4.16Å; M114-T158 HydrophobicContact SD-CG2 4.48Å; Y115-T158 HydrophobicContact CE1-CG2 4.46Å; N156-T158 PolarHBondContact O-N 2.72Å; N156-T158 WeakPolarHBondContact OD1-CB 3.44Å; N156-T158 PolarHBondContact OD1-N 3.05Å; N156-T158 PolarHBondContact OD1-OG1 3.34Å; T158-Y160 HydrophobicContact CG2-CD1 3.9Å; T158-Y160 HydrophobicContact CG2-CD2 4.37Å; T158-Y160 HydrophobicContact CG2-CE1 3.41Å; T158-Y160 VanDerWaalsContact CG2-CE1 3.41Å; T158-Y160 HydrophobicContact CG2-CE2 3.96Å; T158-Y160 HydrophobicContact CG2-CG 4.35Å; T158-Y160 VanDerWaalsContact CG2-CZ 3.45Å
159H97.4Very high88.6Confident81 Ų8167.2 Ų67.238%0.37533%0.327SS..  trans-90.1101.4173.4-66-88.9000111.1M114 L116 P157 R161M114-H159 PolarHBondContact O-N 3.49Å; L116-H159 PolarHBondContact O-CD2 3.26Å; L116-H159 VanDerWaalsContact O-CD2 3.27Å; P157-H159 PolarHBondContact O-N 2.91Å; H159-R161 HydrophobicContact CB-CG 4.27Å; H159-R161 PolarHBondContact O-N 3.25Å
160Y95.2Very high89.1Confident50 Ų5066.6 Ų66.620%0.19632%0.321CS..  trans-88.182.3174.5-57.8-69.1000110.9M114 H146 Q147 R153 N156 T158M114-Y160 HydrophobicContact CE-CD1 4.34Å; M114-Y160 HydrophobicContact CE-CE1 3.77Å; H146-Y160 VanDerWaalsContact C-CD1 3.45Å; H146-Y160 WeakPolarHBondContact O-CD1 3.4Å; Q147-Y160 VanDerWaalsContact CA-CE1 3.46Å; Q147-Y160 WeakPolarHBondContact CA-OH 3.18Å; Q147-Y160 HydrophobicContact CB-CE1 4.18Å; Q147-Y160 HydrophobicContact CB-CE2 3.75Å; Q147-Y160 VanDerWaalsContact CB-CZ 3.49Å; Q147-Y160 VanDerWaalsContact CB-OH 3.23Å; Q147-Y160 WeakPolarHBondContact CB-OH 3.19Å; Q147-Y160 VanDerWaalsContact CG-OH 3.26Å; Q147-Y160 WeakPolarHBondContact CG-OH 3.39Å; R153-Y160 PolarHBondContact NH1-OH 2.91Å; N156-Y160 PolarHBondContact ND2-OH 2.93Å; N156-Y160 VanDerWaalsContact ND2-OH 3.11Å; T158-Y160 HydrophobicContact CG2-CD1 3.9Å; T158-Y160 HydrophobicContact CG2-CD2 4.37Å; T158-Y160 HydrophobicContact CG2-CE1 3.41Å; T158-Y160 VanDerWaalsContact CG2-CE1 3.41Å; T158-Y160 HydrophobicContact CG2-CE2 3.96Å; T158-Y160 HydrophobicContact CG2-CG 4.35Å; T158-Y160 VanDerWaalsContact CG2-CZ 3.45Å
161R92.3Very high89Confident20 Ų2065.6 Ų65.68%0.07531%0.313CS..  trans-80160.7-174.6-57.2-172.1179.483.90.6112.7L113 L116 S117 D118 C144 F145 H159 F165 Y166L113-R161 PolarHBondContact O-NH1 3Å; L116-R161 PolarHBondContact O-NH2 3.45Å; S117-R161 VanDerWaalsContact C-NH2 3.3Å; D118-R161 IonicContact OD1-CZ 3.71Å; D118-R161 IonicContact OD1-NE 3.96Å; D118-R161 PolarHBondContact OD1-NE 2.97Å; D118-R161 IonicContact OD1-NH2 2.65Å; D118-R161 PolarHBondContact OD1-NH2 3.44Å; C144-R161 CarbonylContact C-O 3.57Å; C144-R161 WeakPolarHBondContact CA-O 3.49Å; C144-R161 VanDerWaalsContact CB-O 3.3Å; C144-R161 WeakPolarHBondContact CB-O 3.33Å; F145-R161 PolarHBondContact N-O 3.21Å; H159-R161 HydrophobicContact CB-CG 4.27Å; H159-R161 PolarHBondContact O-N 3.25Å; R161-F165 HydrophobicContact CB-CB 4.33Å; R161-F165 HydrophobicContact CB-CD1 4.46Å; R161-F165 HydrophobicContact CG-CD1 4.39Å; R161-Y166 HydrophobicContact CB-CE2 3.95Å; R161-Y166 PolarHBondContact NH1-OH 3.47Å; R161-Y166 VanDerWaalsContact NH1-OH 3.14Å
162E86.5Confident89Confident75 Ų7569.8 Ų69.835%0.3533%0.328SS..  trans-68.8141.7163.1-67168.5-147.100109.9F145 R164 F165F145-E162 HydrophobicContact CD1-CG 4.2Å; F145-E162 HydrophobicContact CE1-CB 4.26Å; F145-E162 HydrophobicContact CE1-CG 4.09Å; E162-R164 HydrophobicContact CB-CG 4.09Å; E162-R164 PolarHBondContact O-N 3.45Å; E162-R164 IonicContact OE1-NH2 2.73Å; E162-R164 IonicContact OE2-CZ 3.63Å; E162-R164 IonicContact OE2-NE 2.61Å; E162-R164 PolarHBondContact OE2-NE 2.87Å; E162-R164 IonicContact OE2-NH2 2.66Å; E162-R164 PolarHBondContact OE2-NH2 3.02Å; E162-F165 WeakPolarHBondContact O-CB 3.48Å; E162-F165 PolarHBondContact O-N 3.4Å
163P86.2Confident89.3Confident3 Ų360.4 Ų60.42%0.01929%0.289CS..Hα-helixtrans-55.7-35.4-177.7-27.635.6000113.4C144 F145 F165 Y166 T167 I206 W208C144-P163 HydrophobicContact CB-CG 3.99Å; F145-P163 HydrophobicContact CE1-CG 4.05Å; F145-P163 HydrophobicContact CE2-CG 3.7Å; F145-P163 HydrophobicContact CZ-CG 3.31Å; P163-F165 PolarHBondContact O-N 2.92Å; P163-F165 VanDerWaalsContact O-N 3.13Å; P163-Y166 PolarHBondContact O-N 3.29Å; P163-Y166 VanDerWaalsContact O-N 3.08Å; P163-T167 PolarHBondContact O-N 2.85Å; P163-T167 VanDerWaalsContact O-N 3.07Å; P163-T167 PolarHBondContact O-OG1 3.11Å; P163-I206 HydrophobicContact CB-CD1 4.04Å; P163-I206 HydrophobicContact CG-CD1 3.43Å; P163-I206 VanDerWaalsContact CG-CD1 3.43Å; P163-W208 HydrophobicContact CB-CH2 4.43Å; P163-W208 HydrophobicContact CB-CZ2 3.87Å
164R80.9Confident89.5Confident148 Ų14863.3 Ų63.356%0.55831%0.305SS*.Hα-helixtrans-57.5-27.1178.568175.9175.6107.47.2113.4E162 K168E162-R164 HydrophobicContact CB-CG 4.09Å; E162-R164 PolarHBondContact O-N 3.45Å; E162-R164 IonicContact OE1-NH2 2.73Å; E162-R164 IonicContact OE2-CZ 3.63Å; E162-R164 IonicContact OE2-NE 2.61Å; E162-R164 PolarHBondContact OE2-NE 2.87Å; E162-R164 IonicContact OE2-NH2 2.66Å; E162-R164 PolarHBondContact OE2-NH2 3.02Å; R164-K168 WeakPolarHBondContact O-CB 3.31Å; R164-K168 PolarHBondContact O-N 2.87Å
165F89.9Confident89.8Confident45 Ų4555.3 Ų55.320%0.19727%0.272CS..Hα-helixtrans-62.7-53.3174.7172.4-91.3000110.7D118 V121 R161 E162 P163 K168 V169D118-F165 HydrophobicContact CB-CE2 3.9Å; D118-F165 HydrophobicContact CB-CZ 3.8Å; V121-F165 HydrophobicContact CB-CE1 4Å; V121-F165 HydrophobicContact CB-CZ 4.24Å; V121-F165 HydrophobicContact CG1-CE1 3.84Å; V121-F165 HydrophobicContact CG1-CZ 4.43Å; V121-F165 HydrophobicContact CG2-CE1 4.29Å; R161-F165 HydrophobicContact CB-CB 4.33Å; R161-F165 HydrophobicContact CB-CD1 4.46Å; R161-F165 HydrophobicContact CG-CD1 4.39Å; E162-F165 WeakPolarHBondContact O-CB 3.48Å; E162-F165 PolarHBondContact O-N 3.4Å; P163-F165 PolarHBondContact O-N 2.92Å; P163-F165 VanDerWaalsContact O-N 3.13Å; F165-K168 PolarHBondContact O-N 2.87Å; F165-V169 HydrophobicContact CD1-CG2 4.44Å; F165-V169 HydrophobicContact CD2-CG2 4.39Å; F165-V169 HydrophobicContact CE1-CG2 4.08Å; F165-V169 HydrophobicContact CE2-CG2 4Å; F165-V169 HydrophobicContact CZ-CG2 3.83Å; F165-V169 WeakPolarHBondContact O-CG2 3.26Å; F165-V169 PolarHBondContact O-N 3.45Å
166Y93Very high89.9Confident0 Ų060.3 Ų60.30%028%0.279CS..Hα-helixtrans-64.6-44.7-179-62-61.4000111.2L113 V121 F140 E142 R161 P163 K168 V169 F170 W208L113-Y166 HydrophobicContact CB-CD1 4.41Å; L113-Y166 HydrophobicContact CB-CE1 3.75Å; L113-Y166 HydrophobicContact CD1-CD1 4.06Å; L113-Y166 HydrophobicContact CD1-CE1 4.23Å; V121-Y166 HydrophobicContact CG1-CD1 4.29Å; V121-Y166 HydrophobicContact CG1-CE1 4.41Å; F140-Y166 HydrophobicContact CE2-CD1 4.43Å; F140-Y166 HydrophobicContact CE2-CG 4.18Å; E142-Y166 HydrophobicContact CB-CE2 3.99Å; E142-Y166 HydrophobicContact CG-CE1 4.35Å; E142-Y166 HydrophobicContact CG-CE2 4.17Å; R161-Y166 HydrophobicContact CB-CE2 3.95Å; R161-Y166 PolarHBondContact NH1-OH 3.47Å; R161-Y166 VanDerWaalsContact NH1-OH 3.14Å; P163-Y166 PolarHBondContact O-N 3.29Å; P163-Y166 VanDerWaalsContact O-N 3.08Å; Y166-K168 VanDerWaalsContact C-N 3.34Å; Y166-K168 PolarHBondContact O-N 3.09Å; Y166-V169 PolarHBondContact O-N 3.01Å; Y166-F170 WeakPolarHBondContact O-CD2 3.27Å; Y166-F170 PolarHBondContact O-N 3.29Å; Y166-F170 VanDerWaalsContact O-N 3.1Å; Y166-W208 AromaticContact CD2-CH2 3.56Å; Y166-W208 HydrophobicContact CD2-CH2 3.56Å; Y166-W208 AromaticContact CD2-CZ2 3.96Å; Y166-W208 HydrophobicContact CD2-CZ2 3.96Å; Y166-W208 HydrophobicContact CD2-CZ3 4.16Å; Y166-W208 HydrophobicContact CE2-CH2 4.34Å; Y166-W208 HydrophobicContact CG-CH2 4.23Å; Y166-W208 HydrophobicContact CG-CZ2 4.37Å
167T86.1Confident89.9Confident5 Ų560.6 Ų60.63%0.03128%0.281CS..Hα-helixtrans-52.6-52.2174.5-70.30000111.6P163 Q171 M187 W208 W210 V299P163-T167 PolarHBondContact O-N 2.85Å; P163-T167 VanDerWaalsContact O-N 3.07Å; P163-T167 PolarHBondContact O-OG1 3.11Å; T167-Q171 WeakPolarHBondContact O-CB 3.3Å; T167-Q171 PolarHBondContact O-N 3.45Å; T167-M187 HydrophobicContact CG2-CE 3.64Å; T167-W208 PolarHBondContact OG1-NE1 2.99Å; T167-W208 VanDerWaalsContact OG1-NE1 3.11Å; T167-W210 WeakPolarHBondContact O-CH2 3.08Å; T167-V299 HydrophobicContact CG2-CG1 3.11Å
168K83.2Confident89.6Confident118 Ų11861.1 Ų61.151%0.51329%0.294SS..Hα-helixtrans-62.4-50-179-177.2-179.7179.7-175.70112R164 F165 Y166 F170 Q171 E172R164-K168 WeakPolarHBondContact O-CB 3.31Å; R164-K168 PolarHBondContact O-N 2.87Å; F165-K168 PolarHBondContact O-N 2.87Å; Y166-K168 VanDerWaalsContact C-N 3.34Å; Y166-K168 PolarHBondContact O-N 3.09Å; K168-F170 VanDerWaalsContact C-N 3.33Å; K168-F170 PolarHBondContact O-N 2.87Å; K168-Q171 PolarHBondContact O-N 2.69Å; K168-E172 VanDerWaalsContact CE-CD 3.41Å; K168-E172 WeakPolarHBondContact CE-OE1 3.38Å; K168-E172 WeakPolarHBondContact CE-OE2 3.33Å; K168-E172 HydrophobicContact CG-CG 4.24Å; K168-E172 IonicContact NZ-OE1 2.8Å; K168-E172 WeakPolarHBondContact O-CB 3.44Å; K168-E172 WeakPolarHBondContact O-CG 3.48Å; K168-E172 PolarHBondContact O-N 3.46Å
169V92.4Very high89.3Confident17 Ų1765.1 Ų65.110%0.10332%0.323CS..Hα-helixtrans-58.9-44.2-176.7169.50000111.7V121 E122 A125 F165 Y166 C173V121-V169 HydrophobicContact CG1-CG1 4.23Å; E122-V169 HydrophobicContact CB-CG1 4.47Å; E122-V169 HydrophobicContact CG-CG1 4.14Å; E122-V169 HydrophobicContact CG-CG2 4.09Å; A125-V169 HydrophobicContact CB-CG1 3.82Å; F165-V169 HydrophobicContact CD1-CG2 4.44Å; F165-V169 HydrophobicContact CD2-CG2 4.39Å; F165-V169 HydrophobicContact CE1-CG2 4.08Å; F165-V169 HydrophobicContact CE2-CG2 4Å; F165-V169 HydrophobicContact CZ-CG2 3.83Å; F165-V169 WeakPolarHBondContact O-CG2 3.26Å; F165-V169 PolarHBondContact O-N 3.45Å; Y166-V169 PolarHBondContact O-N 3.01Å; V169-C173 PolarHBondContact O-N 2.87Å
170F93.4Very high88.9Confident0 Ų063.3 Ų63.30%033%0.326CS..Hα-helixtrans-76.9-31.8-179.6-80.3-101.8000112.7L113 V121 A125 M128 I138 F140 Y166 K168 C173 L185 W210L113-F170 HydrophobicContact CD1-CE2 3.69Å; L113-F170 HydrophobicContact CD1-CZ 3.87Å; V121-F170 HydrophobicContact CG1-CE2 4.38Å; A125-F170 HydrophobicContact CB-CD1 4.15Å; A125-F170 HydrophobicContact CB-CD2 4.17Å; A125-F170 HydrophobicContact CB-CE1 4Å; A125-F170 HydrophobicContact CB-CE2 4.03Å; A125-F170 HydrophobicContact CB-CG 4.24Å; A125-F170 HydrophobicContact CB-CZ 3.95Å; M128-F170 HydrophobicContact SD-CE1 4.1Å; M128-F170 HydrophobicContact SD-CZ 4.19Å; I138-F170 HydrophobicContact CG2-CE1 4.18Å; F140-F170 HydrophobicContact CD1-CD1 4.49Å; F140-F170 AromaticContact CD1-CE1 3.98Å; F140-F170 HydrophobicContact CD1-CE1 3.98Å; F140-F170 HydrophobicContact CD1-CE2 4.26Å; F140-F170 AromaticContact CD1-CZ 3.85Å; F140-F170 HydrophobicContact CD1-CZ 3.85Å; F140-F170 AromaticContact CE1-CD1 3.71Å; F140-F170 HydrophobicContact CE1-CD1 3.71Å; F140-F170 AromaticContact CE1-CD2 3.69Å; F140-F170 HydrophobicContact CE1-CD2 3.69Å; F140-F170 AromaticContact CE1-CE1 3.59Å; F140-F170 HydrophobicContact CE1-CE1 3.59Å; F140-F170 AromaticContact CE1-CE2 3.55Å; F140-F170 HydrophobicContact CE1-CE2 3.55Å; F140-F170 AromaticContact CE1-CG 3.77Å; F140-F170 HydrophobicContact CE1-CG 3.77Å; F140-F170 AromaticContact CE1-CZ 3.5Å; F140-F170 HydrophobicContact CE1-CZ 3.5Å; F140-F170 VanDerWaalsContact CE1-CZ 3.5Å; F140-F170 AromaticContact CZ-CD2 3.71Å; F140-F170 HydrophobicContact CZ-CD2 3.71Å; F140-F170 AromaticContact CZ-CE2 3.71Å; F140-F170 HydrophobicContact CZ-CE2 3.71Å; F140-F170 HydrophobicContact CZ-CG 4.13Å; F140-F170 HydrophobicContact CZ-CZ 4.14Å; Y166-F170 WeakPolarHBondContact O-CD2 3.27Å; Y166-F170 PolarHBondContact O-N 3.29Å; Y166-F170 VanDerWaalsContact O-N 3.1Å; K168-F170 VanDerWaalsContact C-N 3.33Å; K168-F170 PolarHBondContact O-N 2.87Å; F170-C173 VanDerWaalsContact O-CB 3.28Å; F170-C173 WeakPolarHBondContact O-CB 3.24Å; F170-C173 PolarHBondContact O-N 2.61Å; F170-L185 HydrophobicContact CB-CD1 4.21Å; F170-L185 HydrophobicContact CD1-CD1 3.66Å; F170-L185 HydrophobicContact CG-CD1 4.41Å; F170-W210 HydrophobicContact CB-CD2 3.97Å; F170-W210 VanDerWaalsContact CB-CE2 3.46Å; F170-W210 HydrophobicContact CB-CE3 4.39Å; F170-W210 HydrophobicContact CB-CH2 3.91Å; F170-W210 HydrophobicContact CB-CZ2 3.43Å; F170-W210 VanDerWaalsContact CB-CZ2 3.43Å; F170-W210 HydrophobicContact CB-CZ3 4.36Å; F170-W210 HydrophobicContact CG-CZ2 4.43Å; F170-W210 AromaticContact CG-NE1 3.97Å
171Q84.6Confident88.6Confident60 Ų6064.8 Ų64.828%0.2834%0.337SS..Hα-helixtrans-70.9-35.8176.1-172.9172.2700112.8T167 K168 C173 W210T167-Q171 WeakPolarHBondContact O-CB 3.3Å; T167-Q171 PolarHBondContact O-N 3.45Å; K168-Q171 PolarHBondContact O-N 2.69Å; Q171-C173 PolarHBondContact O-N 2.73Å; Q171-W210 HydrophobicContact CB-CH2 3.95Å; Q171-W210 HydrophobicContact CB-CZ3 4.15Å
172E84.7Confident88.6Confident131 Ų13165 Ų6561%0.61234%0.342SS*.SBendtrans-77.5-6.8176.7-69.6-179.9169.600112.7K168 Q174K168-E172 VanDerWaalsContact CE-CD 3.41Å; K168-E172 WeakPolarHBondContact CE-OE1 3.38Å; K168-E172 WeakPolarHBondContact CE-OE2 3.33Å; K168-E172 HydrophobicContact CG-CG 4.24Å; K168-E172 IonicContact NZ-OE1 2.8Å; K168-E172 WeakPolarHBondContact O-CB 3.44Å; K168-E172 WeakPolarHBondContact O-CG 3.48Å; K168-E172 PolarHBondContact O-N 3.46Å; E172-Q174 PolarHBondContact O-N 3.01Å
173C89.3Confident88.8Confident11 Ų1162.1 Ų62.17%0.07433%0.328CS..  trans-74.1122.3-176.9-158.90000111.6A125 E126 I129 V169 F170 Q171 L185A125-C173 PolarHBondContact O-SG 2.82Å; E126-C173 VanDerWaalsContact CA-SG 3.53Å; E126-C173 PolarHBondContact N-SG 3.3Å; I129-C173 WeakPolarHBondContact CG2-SG 3.42Å; V169-C173 PolarHBondContact O-N 2.87Å; F170-C173 VanDerWaalsContact O-CB 3.28Å; F170-C173 WeakPolarHBondContact O-CB 3.24Å; F170-C173 PolarHBondContact O-N 2.61Å; Q171-C173 PolarHBondContact O-N 2.73Å; C173-L185 HydrophobicContact CB-CD1 4.47Å
174Q87.9Confident89.1Confident113 Ų11363 Ų6353%0.52833%0.332SS..EExtended strand (participates in β ladder)trans-128.4149.8174.6-68-1740.300110.5E172 F183 E184E172-Q174 PolarHBondContact O-N 3.01Å; Q174-F183 WeakPolarHBondContact CA-O 3.46Å; Q174-E184 HydrophobicContact CG-CB 4.32Å
175T92.4Very high89.5Confident31 Ų3156.2 Ų56.219%0.1931%0.307CS..EExtended strand (participates in β ladder)trans-140.1159.3173.1-167.80000110.5I129 F183I129-T175 HydrophobicContact CB-CG2 4.47Å; I129-T175 HydrophobicContact CD1-CG2 3.83Å; I129-T175 HydrophobicContact CG1-CG2 3.76Å; I129-T175 HydrophobicContact CG2-CG2 4.11Å; T175-F183 HydrophobicContact CG2-CB 3.89Å; T175-F183 PolarHBondContact N-O 2.74Å; T175-F183 PolarHBondContact O-N 2.98Å
176R91.1Very high89.2Confident181 Ų18154.7 Ų54.768%0.68330%0.302SS*.EExtended strand (participates in β ladder)trans-124.9135.7172.1-67.5-175.6-179.3-139.11.5109.4N181R176-N181 VanDerWaalsContact CA-O 3.27Å; R176-N181 WeakPolarHBondContact CA-O 3.43Å
177D90Very high88.9Confident61 Ų6155.1 Ų55.133%0.32630%0.304SS..  trans-77.1173171.771.315.4000111.7S179 G180 N181 F183D177-S179 PolarHBondContact O-N 2.83Å; D177-S179 VanDerWaalsContact O-N 3.14Å; D177-S179 VanDerWaalsContact OD1-C 3.29Å; D177-S179 VanDerWaalsContact OD1-CA 3.28Å; D177-S179 WeakPolarHBondContact OD1-CA 3.39Å; D177-S179 WeakPolarHBondContact OD1-CB 3.28Å; D177-S179 PolarHBondContact OD1-N 3.25Å; D177-G180 PolarHBondContact O-N 3.14Å; D177-G180 PolarHBondContact OD1-N 2.88Å; D177-N181 PolarHBondContact N-O 2.84Å; D177-N181 PolarHBondContact OD1-N 3.44Å; D177-N181 PolarHBondContact OD1-ND2 3.16Å; D177-N181 WeakPolarHBondContact OD2-CB 3.39Å; D177-N181 PolarHBondContact OD2-ND2 2.66Å; D177-F183 HydrophobicContact CB-CE2 4Å; D177-F183 WeakPolarHBondContact OD2-CE2 3.38Å
178A88Confident88.8Confident117 Ų11757.9 Ų57.997%0.96732%0.321SS*.THydrogen-bonded Turntrans-63-17.2177.900000113.7G180A178-G180 VanDerWaalsContact C-N 3.35Å
179S89.9Confident88.8Confident101 Ų10152.4 Ų52.471%0.70630%0.298SS*.THydrogen-bonded Turntrans-88.8-3.4175.5-60.30000112.7D177D177-S179 PolarHBondContact O-N 2.83Å; D177-S179 VanDerWaalsContact O-N 3.14Å; D177-S179 VanDerWaalsContact OD1-C 3.29Å; D177-S179 VanDerWaalsContact OD1-CA 3.28Å; D177-S179 WeakPolarHBondContact OD1-CA 3.39Å; D177-S179 WeakPolarHBondContact OD1-CB 3.28Å; D177-S179 PolarHBondContact OD1-N 3.25Å
180G89.3Confident88.5Confident42 Ų4251.7 Ų51.743%0.43329%0.293SS..  trans87.52.8179.200000114.5D177 A178D177-G180 PolarHBondContact O-N 3.14Å; D177-G180 PolarHBondContact OD1-N 2.88Å; A178-G180 VanDerWaalsContact C-N 3.35Å
181N90Very high88.1Confident81 Ų8153.5 Ų53.543%0.43330%0.301SS..  trans-70.4133.1177.8-54.6-53.8000109.6R176 D177 F183R176-N181 VanDerWaalsContact CA-O 3.27Å; R176-N181 WeakPolarHBondContact CA-O 3.43Å; D177-N181 PolarHBondContact N-O 2.84Å; D177-N181 PolarHBondContact OD1-N 3.44Å; D177-N181 PolarHBondContact OD1-ND2 3.16Å; D177-N181 WeakPolarHBondContact OD2-CB 3.39Å; D177-N181 PolarHBondContact OD2-ND2 2.66Å; N181-F183 HydrophobicContact CB-CE2 3.7Å; N181-F183 HydrophobicContact CB-CZ 3.92Å; N181-F183 WeakPolarHBondContact O-CD2 3.49Å; N181-F183 WeakPolarHBondContact O-CE2 3.37Å
182S91.2Very high88.2Confident24 Ų2450.7 Ų50.717%0.16829%0.288CS..EExtended strand (participates in β ladder)trans-93.6133-179-158.20000110.9V215S182-V215 PolarHBondContact O-N 2.88Å
183F92Very high88.4Confident16 Ų1644.5 Ų44.57%0.0726%0.26CS..EExtended strand (participates in β ladder)trans-125.6153.2177.6-58.8-88.2000110.9P134 Q174 T175 D177 N181 K212 V213P134-F183 HydrophobicContact CB-CD1 4.26Å; P134-F183 HydrophobicContact CB-CE1 3.7Å; P134-F183 HydrophobicContact CB-CZ 4.37Å; P134-F183 HydrophobicContact CG-CD1 4.21Å; P134-F183 HydrophobicContact CG-CE1 3.55Å; P134-F183 HydrophobicContact CG-CZ 3.75Å; Q174-F183 WeakPolarHBondContact CA-O 3.46Å; T175-F183 HydrophobicContact CG2-CB 3.89Å; T175-F183 PolarHBondContact N-O 2.74Å; T175-F183 PolarHBondContact O-N 2.98Å; D177-F183 HydrophobicContact CB-CE2 4Å; D177-F183 WeakPolarHBondContact OD2-CE2 3.38Å; N181-F183 HydrophobicContact CB-CE2 3.7Å; N181-F183 HydrophobicContact CB-CZ 3.92Å; N181-F183 WeakPolarHBondContact O-CD2 3.49Å; N181-F183 WeakPolarHBondContact O-CE2 3.37Å; F183-K212 HydrophobicContact CB-CD 4.38Å; F183-K212 HydrophobicContact CB-CG 4.03Å; F183-K212 HydrophobicContact CD1-CG 4.33Å; F183-K212 HydrophobicContact CG-CG 4.44Å; F183-V213 WeakPolarHBondContact CA-O 3.32Å; F183-V213 WeakPolarHBondContact CB-O 3.14Å; F183-V213 WeakPolarHBondContact CD1-O 3.35Å
184E91Very high88.2Confident20 Ų2045.3 Ų45.39%0.09327%0.269CS..EExtended strand (participates in β ladder)trans-141.1-176.6173.267.7170.8-161.700110Q174 K212 V213 V215 K219 R223Q174-E184 HydrophobicContact CG-CB 4.32Å; E184-K212 WeakPolarHBondContact O-CA 3.35Å; E184-V213 HydrophobicContact CG-CG2 3.77Å; E184-V213 PolarHBondContact N-O 3.14Å; E184-V213 PolarHBondContact O-N 3.42Å; E184-V215 HydrophobicContact CB-CG2 4.13Å; E184-V215 HydrophobicContact CG-CG2 4.06Å; E184-K219 IonicContact OE1-NZ 3.15Å; E184-R223 IonicContact OE1-CZ 2.64Å; E184-R223 VanDerWaalsContact OE1-CZ 3.26Å; E184-R223 IonicContact OE1-NE 3.91Å; E184-R223 PolarHBondContact OE1-NE 2.93Å; E184-R223 VanDerWaalsContact OE1-NE 3.14Å; E184-R223 IonicContact OE1-NH2 2.82Å; E184-R223 PolarHBondContact OE1-NH2 2.91Å; E184-R223 IonicContact OE2-CZ 2.97Å; E184-R223 IonicContact OE2-NE 3.75Å; E184-R223 IonicContact OE2-NH2 3.73Å; E184-R223 PolarHBondContact OE2-NH2 3.26Å
185L89.8Confident88.3Confident6 Ų640.1 Ų40.13%0.03125%0.246CC..EExtended strand (participates in β ladder)trans-104.5127.3173.9-62.5178.9000111.8I129 I138 F170 C173 W210 K212I129-L185 HydrophobicContact CB-CD2 4.33Å; I129-L185 HydrophobicContact CB-CG 4.44Å; I129-L185 HydrophobicContact CD1-CD2 4.16Å; I129-L185 HydrophobicContact CD1-CG 3.94Å; I129-L185 HydrophobicContact CG1-CD2 3.87Å; I129-L185 HydrophobicContact CG1-CG 4.12Å; I138-L185 HydrophobicContact CD1-CD1 3.82Å; I138-L185 HydrophobicContact CD1-CD2 3.84Å; F170-L185 HydrophobicContact CB-CD1 4.21Å; F170-L185 HydrophobicContact CD1-CD1 3.66Å; F170-L185 HydrophobicContact CG-CD1 4.41Å; C173-L185 HydrophobicContact CB-CD1 4.47Å; L185-W210 HydrophobicContact CB-CB 4.2Å; L185-W210 HydrophobicContact CB-CD2 4.26Å; L185-W210 HydrophobicContact CB-CE3 3.65Å; L185-W210 HydrophobicContact CB-CZ3 4.39Å; L185-W210 HydrophobicContact CD1-CB 4.27Å; L185-W210 HydrophobicContact CD1-CG 4.4Å; L185-W210 HydrophobicContact CD2-CB 4.33Å; L185-K212 HydrophobicContact CD2-CB 4.15Å
186S84.8Confident88.1Confident13 Ų1339 Ų399%0.09124%0.238CC..EExtended strand (participates in β ladder)trans-79.9134.8159.9-152.20000110.2V188 W210 Q211 K219S186-V188 PolarHBondContact O-N 3Å; S186-W210 VanDerWaalsContact C-CE3 3.43Å; S186-W210 CarbonylContact O-C 3.43Å; S186-W210 WeakPolarHBondContact O-CA 3.41Å; S186-Q211 PolarHBondContact N-O 3.47Å; S186-Q211 PolarHBondContact O-N 3.37Å; S186-K219 VanDerWaalsContact OG-CD 3.26Å; S186-K219 WeakPolarHBondContact OG-CD 3.39Å; S186-K219 WeakPolarHBondContact OG-CE 3.39Å; S186-K219 PolarHBondContact OG-NZ 3.09Å
187M85.4Confident87.7Confident10 Ų1032 Ų325%0.04922%0.216CC..EExtended strand (participates in β ladder)trans-74.6122.5159.1-161.4179.8-59.200108.5T167 C190 W210 V299 V320T167-M187 HydrophobicContact CG2-CE 3.64Å; M187-C190 HydrophobicContact SD-CB 3.6Å; M187-W210 HydrophobicContact CB-CE3 3.91Å; M187-W210 HydrophobicContact CB-CH2 4.04Å; M187-W210 HydrophobicContact CB-CZ3 3.66Å; M187-W210 HydrophobicContact CE-CH2 3.24Å; M187-W210 HydrophobicContact CE-CZ2 3.5Å; M187-W210 VanDerWaalsContact CE-CZ2 3.5Å; M187-W210 HydrophobicContact CE-CZ3 4.02Å; M187-W210 HydrophobicContact CG-CE3 4.43Å; M187-W210 HydrophobicContact CG-CH2 4.28Å; M187-W210 HydrophobicContact CG-CZ2 4.39Å; M187-W210 HydrophobicContact CG-CZ3 4.3Å; M187-V299 HydrophobicContact CB-CG2 4.04Å; M187-V299 HydrophobicContact CE-CB 4.15Å; M187-V299 HydrophobicContact CE-CG1 3.33Å; M187-V299 HydrophobicContact CE-CG2 3.69Å; M187-V299 HydrophobicContact SD-CG1 4.21Å; M187-V299 HydrophobicContact SD-CG2 3.86Å; M187-V320 HydrophobicContact SD-CB 3.97Å; M187-V320 HydrophobicContact SD-CG1 4.18Å; M187-V320 HydrophobicContact SD-CG2 3.66Å
188V84.7Confident87.3Confident63 Ų6334.7 Ų34.738%0.38223%0.225SC..EExtended strand (participates in β ladder)trans-95.9-31.3175.2178.60000110.4Y137 S186 I209 Q211Y137-V188 HydrophobicContact CD1-CG2 4.49Å; Y137-V188 HydrophobicContact CE1-CG2 4.18Å; S186-V188 PolarHBondContact O-N 3Å; V188-I209 HydrophobicContact CB-CB 4.17Å; V188-I209 HydrophobicContact CB-CG2 3.88Å; V188-I209 HydrophobicContact CG1-CG2 4.22Å; V188-I209 HydrophobicContact CG2-CG2 4.49Å; V188-I209 PolarHBondContact N-O 2.91Å; V188-Q211 HydrophobicContact CG2-CB 3.61Å
189G83.2Confident87.3Confident3 Ų331.6 Ų31.63%0.03119%0.192CC..EExtended strand (participates in β ladder)trans-168150.2176.100000111.7W208 I209G189-W208 WeakPolarHBondContact O-CA 3.03Å; G189-I209 PolarHBondContact N-O 3.05Å; G189-I209 PolarHBondContact O-N 2.83Å
190C86.1Confident87.1Confident2 Ų229 Ų291%0.01417%0.168CC..EExtended strand (participates in β ladder)trans-142.4119.6170.4176.40000106.8M187 C207 W208 E319 V320M187-C190 HydrophobicContact SD-CB 3.6Å; C190-C207 VanDerWaalsContact CA-O 3.32Å; C190-C207 WeakPolarHBondContact CA-O 3.5Å; C190-W208 PolarHBondContact SG-NE1 2.88Å; C190-E319 WeakPolarHBondContact O-CA 3.48Å; C190-V320 HydrophobicContact CB-CG2 4.16Å
191K84.8Confident86.6Confident37 Ų3732.8 Ų32.816%0.16117%0.172CC..EExtended strand (participates in β ladder)trans-150158.4-177.364.9164.5-75.7-174.70112.5E28 L32 I206 C207E28-K191 IonicContact OE1-NZ 2.75Å; L32-K191 HydrophobicContact CD1-CD 3.85Å; L32-K191 HydrophobicContact CD1-CG 4.41Å; L32-K191 HydrophobicContact CD2-CD 3.69Å; L32-K191 HydrophobicContact CG-CD 4.42Å; K191-I206 WeakPolarHBondContact O-CA 3.48Å; K191-C207 PolarHBondContact N-O 3.27Å; K191-C207 PolarHBondContact O-N 3.49Å
192C86.4Confident86.1Confident2 Ų230 Ų301%0.01416%0.157CC..EExtended strand (participates in β ladder)trans-78.7151.5169.364.70000112G194 V197 Q203 Q205C192-G194 PolarHBondContact O-N 3.07Å; C192-V197 HydrophobicContact CB-CG2 4.39Å; C192-Q203 HydrophobicContact CB-CB 4.01Å; C192-Q205 CarbonylContact C-O 3.46Å; C192-Q205 WeakPolarHBondContact CA-O 3.06Å
193I88.9Confident85.6Confident1 Ų129.3 Ų29.31%0.00515%0.151CC..  trans-81.2111.3176.4-56.7-58.8000108.9E25 E28 V29 L32 R141 A195 Y196 V197 Q205 C207E25-I193 HydrophobicContact CG-CG2 3.87Å; E28-I193 VanDerWaalsContact OE2-CG2 3.3Å; E28-I193 WeakPolarHBondContact OE2-CG2 3.3Å; V29-I193 HydrophobicContact CG2-CD1 4.22Å; L32-I193 HydrophobicContact CD1-CD1 3.97Å; R141-I193 HydrophobicContact CG-CD1 4.35Å; R141-I193 HydrophobicContact CG-CG1 4.11Å; I193-A195 VanDerWaalsContact C-N 3.29Å; I193-A195 HydrophobicContact CG2-CB 4.25Å; I193-A195 PolarHBondContact O-N 3.3Å; I193-Y196 HydrophobicContact CB-CD2 4.42Å; I193-Y196 HydrophobicContact CG2-CD2 4.04Å; I193-Y196 PolarHBondContact O-N 2.83Å; I193-V197 PolarHBondContact O-N 2.93Å; I193-Q205 HydrophobicContact CB-CB 4.02Å; I193-Q205 HydrophobicContact CG1-CB 4.11Å; I193-Q205 PolarHBondContact N-O 2.81Å; I193-C207 HydrophobicContact CD1-CB 4.11Å
194G85.4Confident85.4Confident27 Ų2728.5 Ų28.528%0.27815%0.148SC..Hα-helixtrans-59.1-34.5-174.300000113.6E28 C192 Y196 V197 K198E28-G194 VanDerWaalsContact CD-N 3.3Å; E28-G194 WeakPolarHBondContact OE1-CA 3.48Å; E28-G194 PolarHBondContact OE1-N 2.8Å; E28-G194 PolarHBondContact OE2-N 2.82Å; E28-G194 VanDerWaalsContact OE2-N 3.13Å; C192-G194 PolarHBondContact O-N 3.07Å; G194-Y196 PolarHBondContact O-N 2.65Å; G194-V197 WeakPolarHBondContact O-CB 3.46Å; G194-V197 PolarHBondContact O-N 2.84Å; G194-V197 VanDerWaalsContact O-N 3.15Å; G194-K198 WeakPolarHBondContact O-CB 3.42Å; G194-K198 PolarHBondContact O-N 3.12Å
195A89.7Confident85.4Confident5 Ų527.6 Ų27.64%0.04114%0.144CC..Hα-helixtrans-56.6-38173.400000112E24 E25 E28 I193 N199E24-A195 HydrophobicContact CB-CB 3.91Å; E25-A195 HydrophobicContact CB-CB 3.8Å; E28-A195 WeakPolarHBondContact OE2-CB 3.34Å; E28-A195 PolarHBondContact OE2-N 2.86Å; I193-A195 VanDerWaalsContact C-N 3.29Å; I193-A195 HydrophobicContact CG2-CB 4.25Å; I193-A195 PolarHBondContact O-N 3.3Å; A195-N199 VanDerWaalsContact O-CB 3.31Å; A195-N199 WeakPolarHBondContact O-CB 3.32Å; A195-N199 PolarHBondContact O-N 2.8Å; A195-N199 PolarHBondContact O-ND2 2.87Å
196Y88.5Confident85.4Confident6 Ų627.3 Ų27.32%0.02414%0.142CC..Hα-helixtrans-77.4-35.9176.6-83.6-101.9000112.4M13 L21 E25 W111 I193 G194 K198 N199 K200 K201 N202 Q205M13-Y196 WeakPolarHBondContact CE-OH 3.46Å; L21-Y196 HydrophobicContact CD1-CE1 4.33Å; L21-Y196 HydrophobicContact CD2-CE1 4.49Å; L21-Y196 HydrophobicContact CD2-CE2 4.44Å; E25-Y196 HydrophobicContact CB-CE2 4.22Å; E25-Y196 HydrophobicContact CG-CD2 4.22Å; E25-Y196 HydrophobicContact CG-CE2 3.79Å; W111-Y196 WeakPolarHBondContact CH2-OH 3.11Å; W111-Y196 HydrophobicContact CZ2-CE2 4.34Å; W111-Y196 AromaticContact CZ2-CZ 3.92Å; W111-Y196 VanDerWaalsContact CZ2-OH 3.23Å; W111-Y196 WeakPolarHBondContact CZ2-OH 3.41Å; I193-Y196 HydrophobicContact CB-CD2 4.42Å; I193-Y196 HydrophobicContact CG2-CD2 4.04Å; I193-Y196 PolarHBondContact O-N 2.83Å; G194-Y196 PolarHBondContact O-N 2.65Å; Y196-K198 VanDerWaalsContact C-N 3.29Å; Y196-K198 PolarHBondContact O-N 3.34Å; Y196-N199 PolarHBondContact O-N 2.94Å; Y196-K200 HydrophobicContact CD1-CB 4.43Å; Y196-K200 HydrophobicContact CD1-CG 3.78Å; Y196-K200 HydrophobicContact CE1-CG 4.35Å; Y196-K200 WeakPolarHBondContact O-CA 3.41Å; Y196-K200 VanDerWaalsContact O-CB 3.3Å; Y196-K200 WeakPolarHBondContact O-CB 3.45Å; Y196-K200 PolarHBondContact O-N 3.16Å; Y196-K201 PolarHBondContact O-N 2.74Å; Y196-N202 CarbonylContact C-O 3.41Å; Y196-Q205 HydrophobicContact CD1-CB 4.4Å; Y196-Q205 HydrophobicContact CD1-CG 3.31Å; Y196-Q205 HydrophobicContact CD2-CB 4.23Å; Y196-Q205 HydrophobicContact CD2-CG 3.86Å; Y196-Q205 HydrophobicContact CE1-CG 3.78Å; Y196-Q205 HydrophobicContact CE2-CG 4.3Å; Y196-Q205 HydrophobicContact CG-CB 3.95Å; Y196-Q205 HydrophobicContact CG-CG 3.33Å
197V81.8Confident85.8Confident35 Ų3526.8 Ų26.821%0.21214%0.138CC..Hα-helixtrans-57-47.8171.4-176.10000110.3C192 I193 G194 K201 N202 Q203C192-V197 HydrophobicContact CB-CG2 4.39Å; I193-V197 PolarHBondContact O-N 2.93Å; G194-V197 WeakPolarHBondContact O-CB 3.46Å; G194-V197 PolarHBondContact O-N 2.84Å; G194-V197 VanDerWaalsContact O-N 3.15Å; V197-K201 VanDerWaalsContact O-CA 3.27Å; V197-K201 WeakPolarHBondContact O-CA 3.21Å; V197-K201 PolarHBondContact O-N 3.19Å; V197-K201 VanDerWaalsContact O-N 3.13Å; V197-N202 VanDerWaalsContact CA-O 3.26Å; V197-N202 WeakPolarHBondContact CA-O 3.14Å; V197-N202 PolarHBondContact N-O 2.95Å; V197-Q203 HydrophobicContact CG1-CG 4.25Å; V197-Q203 HydrophobicContact CG2-CB 4.39Å; V197-Q203 HydrophobicContact CG2-CG 3.67Å
198K83.2Confident86.2Confident118 Ų11826.3 Ų26.351%0.51314%0.136SC..Hα-helixtrans-64.3-50.5180-177.2-177168.4-156.50112.6E24 G194 Y196 K201E24-K198 VanDerWaalsContact CD-NZ 3.28Å; E24-K198 IonicContact OE1-NZ 3.72Å; E24-K198 PolarHBondContact OE1-NZ 2.94Å; E24-K198 IonicContact OE2-NZ 3.85Å; E24-K198 PolarHBondContact OE2-NZ 3.21Å; E24-K198 VanDerWaalsContact OE2-NZ 3.12Å; G194-K198 WeakPolarHBondContact O-CB 3.42Å; G194-K198 PolarHBondContact O-N 3.12Å; Y196-K198 VanDerWaalsContact C-N 3.29Å; Y196-K198 PolarHBondContact O-N 3.34Å; K198-K201 VanDerWaalsContact O-CE 3.31Å; K198-K201 WeakPolarHBondContact O-CE 3.37Å; K198-K201 PolarHBondContact O-NZ 3.23Å
199N87.1Confident86.6Confident51 Ų5124.4 Ų24.427%0.27312%0.123SC..Hα-helixtrans-89.8-33-169.3-71.7-72.5000114.4L21 E24 A195 Y196L21-N199 HydrophobicContact CD2-CB 3.6Å; E24-N199 PolarHBondContact OE2-ND2 2.79Å; A195-N199 VanDerWaalsContact O-CB 3.31Å; A195-N199 WeakPolarHBondContact O-CB 3.32Å; A195-N199 PolarHBondContact O-N 2.8Å; A195-N199 PolarHBondContact O-ND2 2.87Å; Y196-N199 PolarHBondContact O-N 2.94Å
200K85.5Confident87.1Confident48 Ų4824.3 Ų24.321%0.20912%0.122CC..Hα-helixtrans-107.5-5.9-177-59.9-61.5-125.8179.80113.8D15 L21 S148 Y196 N202D15-K200 VanDerWaalsContact CG-NZ 3.26Å; D15-K200 IonicContact OD1-NZ 3.13Å; D15-K200 PolarHBondContact OD1-NZ 3.48Å; D15-K200 WeakPolarHBondContact OD2-CE 3.36Å; D15-K200 IonicContact OD2-NZ 2.74Å; D15-K200 PolarHBondContact OD2-NZ 2.88Å; L21-K200 HydrophobicContact CD2-CG 4.47Å; S148-K200 VanDerWaalsContact O-CE 3.24Å; S148-K200 WeakPolarHBondContact O-CE 3.47Å; Y196-K200 HydrophobicContact CD1-CB 4.43Å; Y196-K200 HydrophobicContact CD1-CG 3.78Å; Y196-K200 HydrophobicContact CE1-CG 4.35Å; Y196-K200 WeakPolarHBondContact O-CA 3.41Å; Y196-K200 VanDerWaalsContact O-CB 3.3Å; Y196-K200 WeakPolarHBondContact O-CB 3.45Å; Y196-K200 PolarHBondContact O-N 3.16Å; K200-N202 WeakPolarHBondContact CB-ND2 3.35Å; K200-N202 PolarHBondContact O-N 2.93Å; K200-N202 PolarHBondContact O-ND2 2.65Å
201K78.9Confident87.5Confident121 Ų12126.6 Ų26.653%0.52613%0.133SC..SBendtrans53.839.2178.3-52.3-56.7-173.3-165.50112Y196 V197 K198 K313Y196-K201 PolarHBondContact O-N 2.74Å; V197-K201 VanDerWaalsContact O-CA 3.27Å; V197-K201 WeakPolarHBondContact O-CA 3.21Å; V197-K201 PolarHBondContact O-N 3.19Å; V197-K201 VanDerWaalsContact O-N 3.13Å; K198-K201 VanDerWaalsContact O-CE 3.31Å; K198-K201 WeakPolarHBondContact O-CE 3.37Å; K198-K201 PolarHBondContact O-NZ 3.23Å; K201-K313 HydrophobicContact CB-CD 4.31Å; K201-K313 PolarHBondContact O-NZ 2.88Å
202N79.5Confident87.9Confident21 Ų2125.4 Ų25.411%0.11213%0.127CC..  trans-147.9160.7171.970.166.9000109.7Y196 V197 K200 N204Y196-N202 CarbonylContact C-O 3.41Å; V197-N202 VanDerWaalsContact CA-O 3.26Å; V197-N202 WeakPolarHBondContact CA-O 3.14Å; V197-N202 PolarHBondContact N-O 2.95Å; K200-N202 WeakPolarHBondContact CB-ND2 3.35Å; K200-N202 PolarHBondContact O-N 2.93Å; K200-N202 PolarHBondContact O-ND2 2.65Å; N202-N204 WeakPolarHBondContact OD1-CB 3.3Å; N202-N204 PolarHBondContact OD1-N 3.29Å
203Q81.1Confident88.1Confident10 Ų1026.4 Ų26.45%0.04713%0.133CC..  trans-112.324.2-175.7-67.9163.3-10.100111.9C192 V197 Q205 I206 A309 V316C192-Q203 HydrophobicContact CB-CB 4.01Å; V197-Q203 HydrophobicContact CG1-CG 4.25Å; V197-Q203 HydrophobicContact CG2-CB 4.39Å; V197-Q203 HydrophobicContact CG2-CG 3.67Å; Q203-Q205 VanDerWaalsContact C-N 3.26Å; Q203-Q205 PolarHBondContact O-N 3.38Å; Q203-I206 WeakPolarHBondContact O-CG1 3.29Å; Q203-A309 PolarHBondContact OE1-O 2.91Å; Q203-V316 PolarHBondContact NE2-O 3.39Å
204N87.3Confident88.1Confident0 Ų027.7 Ų27.70%014%0.143CC..  trans-81-8.2-168.9-63.14.5000113.6C144 F145 H146 N202C144-N204 PolarHBondContact N-O 2.8Å; C144-N204 WeakPolarHBondContact O-CB 3.28Å; F145-N204 HydrophobicContact CD2-CB 4.4Å; H146-N204 PolarHBondContact CD2-ND2 3.26Å; H146-N204 PolarHBondContact CE1-ND2 2.72Å; H146-N204 PolarHBondContact ND1-ND2 3.31Å; H146-N204 PolarHBondContact NE2-ND2 2.87Å; N202-N204 WeakPolarHBondContact OD1-CB 3.3Å; N202-N204 PolarHBondContact OD1-N 3.29Å
205Q91.2Very high87.7Confident1 Ų128.3 Ų28.31%0.00514%0.141CC..EExtended strand (participates in β ladder)trans-92.6101.7176.8-65.3-54.4-55.100108S143 S148 C192 I193 Y196 Q203S143-Q205 PolarHBondContact OG-NE2 2.84Å; S143-Q205 PolarHBondContact OG-OE1 2.83Å; S148-Q205 VanDerWaalsContact CB-NE2 3.28Å; S148-Q205 PolarHBondContact OG-NE2 2.63Å; C192-Q205 CarbonylContact C-O 3.46Å; C192-Q205 WeakPolarHBondContact CA-O 3.06Å; I193-Q205 HydrophobicContact CB-CB 4.02Å; I193-Q205 HydrophobicContact CG1-CB 4.11Å; I193-Q205 PolarHBondContact N-O 2.81Å; Y196-Q205 HydrophobicContact CD1-CB 4.4Å; Y196-Q205 HydrophobicContact CD1-CG 3.31Å; Y196-Q205 HydrophobicContact CD2-CB 4.23Å; Y196-Q205 HydrophobicContact CD2-CG 3.86Å; Y196-Q205 HydrophobicContact CE1-CG 3.78Å; Y196-Q205 HydrophobicContact CE2-CG 4.3Å; Y196-Q205 HydrophobicContact CG-CB 3.95Å; Y196-Q205 HydrophobicContact CG-CG 3.33Å; Q203-Q205 VanDerWaalsContact C-N 3.26Å; Q203-Q205 PolarHBondContact O-N 3.38Å
206I89.8Confident86.7Confident0 Ų036.5 Ų36.50%018%0.178CC..EExtended strand (participates in β ladder)trans-118.6136.6-170.9-55.9179.5000108.4R141 E142 C144 F145 P163 K191 Q203 W208R141-I206 CarbonylContact C-O 3.6Å; R141-I206 VanDerWaalsContact CA-O 3.28Å; R141-I206 WeakPolarHBondContact CA-O 3.37Å; E142-I206 PolarHBondContact N-O 3.18Å; E142-I206 PolarHBondContact O-N 3.35Å; C144-I206 HydrophobicContact CB-CD1 4.29Å; F145-I206 HydrophobicContact CE2-CD1 4.4Å; P163-I206 HydrophobicContact CB-CD1 4.04Å; P163-I206 HydrophobicContact CG-CD1 3.43Å; P163-I206 VanDerWaalsContact CG-CD1 3.43Å; K191-I206 WeakPolarHBondContact O-CA 3.48Å; Q203-I206 WeakPolarHBondContact O-CG1 3.29Å; I206-W208 HydrophobicContact CB-CH2 3.74Å; I206-W208 HydrophobicContact CB-CZ2 4.35Å; I206-W208 HydrophobicContact CB-CZ3 3.9Å; I206-W208 HydrophobicContact CG2-CD2 4.31Å; I206-W208 HydrophobicContact CG2-CE3 4.18Å; I206-W208 HydrophobicContact CG2-CH2 3.63Å; I206-W208 HydrophobicContact CG2-CZ2 3.76Å; I206-W208 HydrophobicContact CG2-CZ3 3.86Å; I206-W208 WeakPolarHBondContact O-CZ3 3.25Å
207C94.2Very high85Confident1 Ų141.6 Ų41.61%0.00721%0.206CC..EExtended strand (participates in β ladder)trans-115.2149.1171.865.60000111.1F139 F140 R141 C190 K191 I193F139-C207 HydrophobicContact CE1-CB 4.32Å; F139-C207 HydrophobicContact CE2-CB 4.05Å; F139-C207 HydrophobicContact CZ-CB 3.65Å; F140-C207 CarbonylContact O-C 3.57Å; F140-C207 VanDerWaalsContact O-CA 3.25Å; F140-C207 WeakPolarHBondContact O-CA 3.05Å; R141-C207 HydrophobicContact CB-CB 3.83Å; R141-C207 HydrophobicContact CG-CB 4.06Å; C190-C207 VanDerWaalsContact CA-O 3.32Å; C190-C207 WeakPolarHBondContact CA-O 3.5Å; K191-C207 PolarHBondContact N-O 3.27Å; K191-C207 PolarHBondContact O-N 3.49Å; I193-C207 HydrophobicContact CD1-CB 4.11Å
208W92.9Very high83.5Confident0 Ų046.6 Ų46.60%023%0.231CC..EExtended strand (participates in β ladder)trans-121.5143.2174.9-66-104.7000110F139 F140 E142 P163 Y166 T167 G189 C190 I206 W210F139-W208 WeakPolarHBondContact CA-O 3.48Å; F140-W208 HydrophobicContact CD1-CB 4.31Å; F140-W208 HydrophobicContact CD2-CB 4.36Å; F140-W208 HydrophobicContact CD2-CD2 4.15Å; F140-W208 AromaticContact CD2-CE3 3.49Å; F140-W208 HydrophobicContact CD2-CE3 3.49Å; F140-W208 VanDerWaalsContact CD2-CE3 3.49Å; F140-W208 HydrophobicContact CD2-CZ3 4.11Å; F140-W208 HydrophobicContact CE1-CB 3.85Å; F140-W208 HydrophobicContact CE1-CG 4.33Å; F140-W208 HydrophobicContact CE2-CB 3.91Å; F140-W208 AromaticContact CE2-CD2 3.37Å; F140-W208 HydrophobicContact CE2-CD2 3.37Å; F140-W208 AromaticContact CE2-CE3 3.09Å; F140-W208 HydrophobicContact CE2-CE3 3.09Å; F140-W208 AromaticContact CE2-CG 3.75Å; F140-W208 HydrophobicContact CE2-CG 3.75Å; F140-W208 AromaticContact CE2-CZ3 3.74Å; F140-W208 HydrophobicContact CE2-CZ3 3.74Å; F140-W208 HydrophobicContact CZ-CB 3.62Å; F140-W208 AromaticContact CZ-CD2 3.75Å; F140-W208 HydrophobicContact CZ-CD2 3.75Å; F140-W208 AromaticContact CZ-CE3 3.95Å; F140-W208 HydrophobicContact CZ-CE3 3.95Å; F140-W208 AromaticContact CZ-CG 3.62Å; F140-W208 HydrophobicContact CZ-CG 3.62Å; F140-W208 PolarHBondContact N-O 2.82Å; F140-W208 VanDerWaalsContact N-O 3.14Å; F140-W208 PolarHBondContact O-N 3.29Å; E142-W208 HydrophobicContact CB-CZ3 4.3Å; E142-W208 HydrophobicContact CG-CZ3 4.49Å; P163-W208 HydrophobicContact CB-CH2 4.43Å; P163-W208 HydrophobicContact CB-CZ2 3.87Å; Y166-W208 AromaticContact CD2-CH2 3.56Å; Y166-W208 HydrophobicContact CD2-CH2 3.56Å; Y166-W208 AromaticContact CD2-CZ2 3.96Å; Y166-W208 HydrophobicContact CD2-CZ2 3.96Å; Y166-W208 HydrophobicContact CD2-CZ3 4.16Å; Y166-W208 HydrophobicContact CE2-CH2 4.34Å; Y166-W208 HydrophobicContact CG-CH2 4.23Å; Y166-W208 HydrophobicContact CG-CZ2 4.37Å; T167-W208 PolarHBondContact OG1-NE1 2.99Å; T167-W208 VanDerWaalsContact OG1-NE1 3.11Å; G189-W208 WeakPolarHBondContact O-CA 3.03Å; C190-W208 PolarHBondContact SG-NE1 2.88Å; I206-W208 HydrophobicContact CB-CH2 3.74Å; I206-W208 HydrophobicContact CB-CZ2 4.35Å; I206-W208 HydrophobicContact CB-CZ3 3.9Å; I206-W208 HydrophobicContact CG2-CD2 4.31Å; I206-W208 HydrophobicContact CG2-CE3 4.18Å; I206-W208 HydrophobicContact CG2-CH2 3.63Å; I206-W208 HydrophobicContact CG2-CZ2 3.76Å; I206-W208 HydrophobicContact CG2-CZ3 3.86Å; I206-W208 WeakPolarHBondContact O-CZ3 3.25Å; W208-W210 AromaticContact CG-NE1 3.95Å
209I94.1Very high82.2Confident23 Ų2342.7 Ų42.712%0.11821%0.214CC..EExtended strand (participates in β ladder)trans-122.4119.4173.3-51.4178.3000106.8L32 P34 Y137 F139 V188 G189L32-I209 WeakPolarHBondContact O-CD1 3.23Å; P34-I209 HydrophobicContact CG-CG2 3.38Å; Y137-I209 HydrophobicContact CD1-CG2 4.28Å; F139-I209 HydrophobicContact CD2-CG1 3.93Å; F139-I209 HydrophobicContact CE2-CG1 4.28Å; V188-I209 HydrophobicContact CB-CB 4.17Å; V188-I209 HydrophobicContact CB-CG2 3.88Å; V188-I209 HydrophobicContact CG1-CG2 4.22Å; V188-I209 HydrophobicContact CG2-CG2 4.49Å; V188-I209 PolarHBondContact N-O 2.91Å; G189-I209 PolarHBondContact N-O 3.05Å; G189-I209 PolarHBondContact O-N 2.83Å
210W93Very high81.1Confident1 Ų145.6 Ų45.60%0.00423%0.23CC..EExtended strand (participates in β ladder)trans-116.9146.2176-5988.1000110.7Y137 I138 F140 T167 F170 Q171 L185 S186 M187 W208Y137-W210 CarbonylContact C-O 3.57Å; Y137-W210 WeakPolarHBondContact CA-O 3.19Å; Y137-W210 WeakPolarHBondContact CB-O 3.4Å; Y137-W210 WeakPolarHBondContact CD1-O 3.43Å; I138-W210 HydrophobicContact CB-CB 4.3Å; I138-W210 PolarHBondContact N-O 2.89Å; I138-W210 PolarHBondContact O-N 3.49Å; F140-W210 AromaticContact CE1-CD1 3.54Å; F140-W210 AromaticContact CE1-NE1 3.24Å; F140-W210 AromaticContact CZ-NE1 3.62Å; T167-W210 WeakPolarHBondContact O-CH2 3.08Å; F170-W210 HydrophobicContact CB-CD2 3.97Å; F170-W210 VanDerWaalsContact CB-CE2 3.46Å; F170-W210 HydrophobicContact CB-CE3 4.39Å; F170-W210 HydrophobicContact CB-CH2 3.91Å; F170-W210 HydrophobicContact CB-CZ2 3.43Å; F170-W210 VanDerWaalsContact CB-CZ2 3.43Å; F170-W210 HydrophobicContact CB-CZ3 4.36Å; F170-W210 HydrophobicContact CG-CZ2 4.43Å; F170-W210 AromaticContact CG-NE1 3.97Å; Q171-W210 HydrophobicContact CB-CH2 3.95Å; Q171-W210 HydrophobicContact CB-CZ3 4.15Å; L185-W210 HydrophobicContact CB-CB 4.2Å; L185-W210 HydrophobicContact CB-CD2 4.26Å; L185-W210 HydrophobicContact CB-CE3 3.65Å; L185-W210 HydrophobicContact CB-CZ3 4.39Å; L185-W210 HydrophobicContact CD1-CB 4.27Å; L185-W210 HydrophobicContact CD1-CG 4.4Å; L185-W210 HydrophobicContact CD2-CB 4.33Å; S186-W210 VanDerWaalsContact C-CE3 3.43Å; S186-W210 CarbonylContact O-C 3.43Å; S186-W210 WeakPolarHBondContact O-CA 3.41Å; M187-W210 HydrophobicContact CB-CE3 3.91Å; M187-W210 HydrophobicContact CB-CH2 4.04Å; M187-W210 HydrophobicContact CB-CZ3 3.66Å; M187-W210 HydrophobicContact CE-CH2 3.24Å; M187-W210 HydrophobicContact CE-CZ2 3.5Å; M187-W210 VanDerWaalsContact CE-CZ2 3.5Å; M187-W210 HydrophobicContact CE-CZ3 4.02Å; M187-W210 HydrophobicContact CG-CE3 4.43Å; M187-W210 HydrophobicContact CG-CH2 4.28Å; M187-W210 HydrophobicContact CG-CZ2 4.39Å; M187-W210 HydrophobicContact CG-CZ3 4.3Å; W208-W210 AromaticContact CG-NE1 3.95Å
211Q93.4Very high80.4Confident51 Ų5146.6 Ų46.624%0.23823%0.234CC..EExtended strand (participates in β ladder)trans-121.2131.2171-170.9177.920.800110.2G135 G136 Y137 S186 V188 V213G135-Q211 PolarHBondContact O-NE2 2.85Å; G136-Q211 WeakPolarHBondContact O-CA 3.41Å; Y137-Q211 HydrophobicContact CD1-CB 3.75Å; Y137-Q211 HydrophobicContact CD1-CG 3.98Å; Y137-Q211 HydrophobicContact CE1-CB 3.64Å; Y137-Q211 HydrophobicContact CE1-CG 3.64Å; Y137-Q211 PolarHBondContact OH-NE2 3.35Å; Y137-Q211 VanDerWaalsContact OH-NE2 3.11Å; S186-Q211 PolarHBondContact N-O 3.47Å; S186-Q211 PolarHBondContact O-N 3.37Å; V188-Q211 HydrophobicContact CG2-CB 3.61Å; Q211-V213 PolarHBondContact O-N 2.9Å
212K94.6Very high80Confident12 Ų1242 Ų425%0.05222%0.215CC..EExtended strand (participates in β ladder)trans-72.5124.9174-178.6173.9176.4175.40110.4I129 V132 G135 G136 F183 E184 L185I129-K212 HydrophobicContact CG1-CD 4.07Å; I129-K212 HydrophobicContact CG1-CG 4.25Å; I129-K212 WeakPolarHBondContact O-CD 3.4Å; I129-K212 WeakPolarHBondContact O-CE 3.5Å; I129-K212 PolarHBondContact O-NZ 3.1Å; V132-K212 HydrophobicContact CG1-CB 3.74Å; V132-K212 HydrophobicContact CG1-CD 3.59Å; V132-K212 HydrophobicContact CG1-CG 4.3Å; V132-K212 VanDerWaalsContact O-CD 3.28Å; V132-K212 WeakPolarHBondContact O-CD 3.23Å; V132-K212 PolarHBondContact O-NZ 2.87Å; G135-K212 WeakPolarHBondContact CA-O 3.4Å; G135-K212 PolarHBondContact N-O 3.38Å; G136-K212 PolarHBondContact O-N 3.11Å; F183-K212 HydrophobicContact CB-CD 4.38Å; F183-K212 HydrophobicContact CB-CG 4.03Å; F183-K212 HydrophobicContact CD1-CG 4.33Å; F183-K212 HydrophobicContact CG-CG 4.44Å; E184-K212 WeakPolarHBondContact O-CA 3.35Å; L185-K212 HydrophobicContact CD2-CB 4.15Å
213V89.7Confident79.5Confident23 Ų2344 Ų4414%0.13922%0.221CC..EExtended strand (participates in β ladder)trans-127.5158179.9-59.20000111.4F183 E184 Q211F183-V213 WeakPolarHBondContact CA-O 3.32Å; F183-V213 WeakPolarHBondContact CB-O 3.14Å; F183-V213 WeakPolarHBondContact CD1-O 3.35Å; E184-V213 HydrophobicContact CG-CG2 3.77Å; E184-V213 PolarHBondContact N-O 3.14Å; E184-V213 PolarHBondContact O-N 3.42Å; Q211-V213 PolarHBondContact O-N 2.9Å
214S88.6Confident79.2Confident28 Ų2845.8 Ų45.820%0.19623%0.229CC..EExtended strand (participates in β ladder)trans-68.2136.7165-178.20000109.5E216 N217S214-E216 PolarHBondContact O-N 2.97Å; S214-E216 PolarHBondContact OG-N 3.06Å; S214-N217 PolarHBondContact O-N 2.81Å
215V77.1Confident78.5Confident40 Ų4046.1 Ų46.124%0.24223%0.23CC..THydrogen-bonded Turntrans-61.8-24.8177.3168.20000112.1S182 E184 R223S182-V215 PolarHBondContact O-N 2.88Å; E184-V215 HydrophobicContact CB-CG2 4.13Å; E184-V215 HydrophobicContact CG-CG2 4.06Å; V215-R223 PolarHBondContact O-NH1 2.93Å
216E69.5Low77.8Confident177 Ų17746.2 Ų46.283%0.82723%0.231SC*.THydrogen-bonded Turntrans-80.4-14.6179.7-66.6-176.917000113.9S214 D218S214-E216 PolarHBondContact O-N 2.97Å; S214-E216 PolarHBondContact OG-N 3.06Å; E216-D218 PolarHBondContact O-N 3.3Å
217N53.4Low77.1Confident112 Ų11250.3 Ų50.360%0.59925%0.253SS*.SBendtrans-94.2105.4-176.9-75.1-18.8000111.6S214 K219S214-N217 PolarHBondContact O-N 2.81Å; N217-K219 PolarHBondContact O-N 3.2Å
218D49.5Very low76.1Confident141 Ų14154.2 Ų54.275%0.75428%0.276SS*.SBendtrans21.264.3151.9-148.5-0.6000117.2E216E216-D218 PolarHBondContact O-N 3.3Å
219K55.3Low75.1Confident35 Ų3554.9 Ų54.915%0.15228%0.279CS..  trans-118.231153.8-57.6-151-138.2112.70111.2E184 S186 N217 F221 Q222 R223E184-K219 IonicContact OE1-NZ 3.15Å; S186-K219 VanDerWaalsContact OG-CD 3.26Å; S186-K219 WeakPolarHBondContact OG-CD 3.39Å; S186-K219 WeakPolarHBondContact OG-CE 3.39Å; S186-K219 PolarHBondContact OG-NZ 3.09Å; N217-K219 PolarHBondContact O-N 3.2Å; K219-F221 PolarHBondContact O-N 3.12Å; K219-F221 VanDerWaalsContact O-N 3.13Å; K219-Q222 PolarHBondContact O-N 2.88Å; K219-R223 WeakPolarHBondContact O-CB 3.25Å; K219-R223 WeakPolarHBondContact O-CG 3.44Å; K219-R223 PolarHBondContact O-N 3.44Å; K219-R223 VanDerWaalsContact O-N 3.09Å
220D64.5Low74.3Confident112 Ų11255.3 Ų55.360%0.59928%0.28SS*.Hα-helixtrans-55.6-33.9178.7-77.5-12.5000109.4F224D220-F224 WeakPolarHBondContact O-CA 3.47Å; D220-F224 WeakPolarHBondContact O-CB 3.18Å; D220-F224 PolarHBondContact O-N 3.31Å
221F70.1Confident73.9Confident69 Ų6960.2 Ų60.230%0.30330%0.301SS..Hα-helixtrans-72.4-54.7-179.2-161.6-116.4000115.2K219 R223 F224 L225 L297 H344K219-F221 PolarHBondContact O-N 3.12Å; K219-F221 VanDerWaalsContact O-N 3.13Å; F221-R223 VanDerWaalsContact C-N 3.31Å; F221-R223 PolarHBondContact O-N 3.18Å; F221-F224 HydrophobicContact CD2-CD1 4.15Å; F221-F224 HydrophobicContact CE2-CD1 4.02Å; F221-F224 HydrophobicContact CE2-CE1 4.39Å; F221-F224 WeakPolarHBondContact O-CB 3.38Å; F221-F224 PolarHBondContact O-N 3.16Å; F221-F224 VanDerWaalsContact O-N 3.1Å; F221-L225 HydrophobicContact CD1-CD1 4.26Å; F221-L225 HydrophobicContact CD1-CG 4.4Å; F221-L225 HydrophobicContact CE1-CD1 3.71Å; F221-L225 HydrophobicContact CE1-CD2 4.21Å; F221-L225 HydrophobicContact CE1-CG 3.99Å; F221-L225 HydrophobicContact CE2-CD2 4.04Å; F221-L225 HydrophobicContact CE2-CG 4.37Å; F221-L225 HydrophobicContact CZ-CD1 4.05Å; F221-L225 HydrophobicContact CZ-CD2 3.67Å; F221-L225 HydrophobicContact CZ-CG 3.94Å; F221-L225 WeakPolarHBondContact O-CG 3.44Å; F221-L225 PolarHBondContact O-N 2.72Å; F221-L297 HydrophobicContact CD1-CD2 3.55Å; F221-L297 HydrophobicContact CE1-CD2 3.89Å; F221-H344 HydrophobicContact CE1-CB 4.27Å; F221-H344 HydrophobicContact CZ-CB 3.72Å; F221-H344 AromaticContact CZ-CG 3.99Å; F221-H344 AromaticContact CZ-ND1 3.73Å
222Q70.7Confident73.4Confident25 Ų2560.4 Ų60.412%0.11731%0.308CS..Hα-helixtrans-62.1-40.8178.7-174.5176.747.600111.4K219 F224 L225 D226 L297K219-Q222 PolarHBondContact O-N 2.88Å; Q222-F224 VanDerWaalsContact C-N 3.34Å; Q222-L225 WeakPolarHBondContact O-CB 3.2Å; Q222-L225 PolarHBondContact O-N 2.94Å; Q222-D226 PolarHBondContact O-N 3.06Å; Q222-L297 HydrophobicContact CB-CD1 4.33Å; Q222-L297 HydrophobicContact CB-CD2 4.4Å; Q222-L297 HydrophobicContact CB-CG 4.18Å; Q222-L297 HydrophobicContact CG-CD1 4.28Å; Q222-L297 HydrophobicContact CG-CG 4.17Å; Q222-L297 PolarHBondContact NE2-O 3.16Å
223R70.1Confident73Confident63 Ų6362.6 Ų62.624%0.23833%0.325CS..Hα-helixtrans-64.8-39.1173.9-73176.1174170.9-7.1111.6E184 V215 K219 F221 L225 D226 N227E184-R223 IonicContact OE1-CZ 2.64Å; E184-R223 VanDerWaalsContact OE1-CZ 3.26Å; E184-R223 IonicContact OE1-NE 3.91Å; E184-R223 PolarHBondContact OE1-NE 2.93Å; E184-R223 VanDerWaalsContact OE1-NE 3.14Å; E184-R223 IonicContact OE1-NH2 2.82Å; E184-R223 PolarHBondContact OE1-NH2 2.91Å; E184-R223 IonicContact OE2-CZ 2.97Å; E184-R223 IonicContact OE2-NE 3.75Å; E184-R223 IonicContact OE2-NH2 3.73Å; E184-R223 PolarHBondContact OE2-NH2 3.26Å; V215-R223 PolarHBondContact O-NH1 2.93Å; K219-R223 WeakPolarHBondContact O-CB 3.25Å; K219-R223 WeakPolarHBondContact O-CG 3.44Å; K219-R223 PolarHBondContact O-N 3.44Å; K219-R223 VanDerWaalsContact O-N 3.09Å; F221-R223 VanDerWaalsContact C-N 3.31Å; F221-R223 PolarHBondContact O-N 3.18Å; R223-L225 VanDerWaalsContact C-N 3.33Å; R223-D226 PolarHBondContact O-N 3.43Å; R223-N227 WeakPolarHBondContact O-CA 3.36Å; R223-N227 WeakPolarHBondContact O-CB 3.45Å; R223-N227 PolarHBondContact O-N 3.35Å; R223-N227 PolarHBondContact O-ND2 3.23Å
224F74.9Confident73Confident48 Ų4861.5 Ų61.521%0.21132%0.318CS..Hα-helixtrans-61-44.5174.7168.2-97.7000110.6D220 F221 Q222 V228 Q229D220-F224 WeakPolarHBondContact O-CA 3.47Å; D220-F224 WeakPolarHBondContact O-CB 3.18Å; D220-F224 PolarHBondContact O-N 3.31Å; F221-F224 HydrophobicContact CD2-CD1 4.15Å; F221-F224 HydrophobicContact CE2-CD1 4.02Å; F221-F224 HydrophobicContact CE2-CE1 4.39Å; F221-F224 WeakPolarHBondContact O-CB 3.38Å; F221-F224 PolarHBondContact O-N 3.16Å; F221-F224 VanDerWaalsContact O-N 3.1Å; Q222-F224 VanDerWaalsContact C-N 3.34Å; F224-V228 HydrophobicContact CD2-CB 3.88Å; F224-V228 HydrophobicContact CD2-CG1 4.3Å; F224-V228 HydrophobicContact CD2-CG2 3.68Å; F224-V228 HydrophobicContact CE2-CB 3.98Å; F224-V228 HydrophobicContact CE2-CG1 3.93Å; F224-V228 HydrophobicContact CE2-CG2 4.16Å; F224-V228 HydrophobicContact CG-CB 4.49Å; F224-V228 HydrophobicContact CG-CG2 4.42Å; F224-V228 WeakPolarHBondContact O-CA 3.4Å; F224-V228 WeakPolarHBondContact O-CB 3.43Å; F224-V228 PolarHBondContact O-N 2.9Å; F224-Q229 PolarHBondContact O-N 3.14Å
225L72.7Confident73.2Confident7 Ų760.2 Ų60.24%0.03731%0.309CS..Iπ-helixtrans-58.6-57.5174.3-67.4-169.5000110.8F221 Q222 R223 N227 Q229 Y230 L297F221-L225 HydrophobicContact CD1-CD1 4.26Å; F221-L225 HydrophobicContact CD1-CG 4.4Å; F221-L225 HydrophobicContact CE1-CD1 3.71Å; F221-L225 HydrophobicContact CE1-CD2 4.21Å; F221-L225 HydrophobicContact CE1-CG 3.99Å; F221-L225 HydrophobicContact CE2-CD2 4.04Å; F221-L225 HydrophobicContact CE2-CG 4.37Å; F221-L225 HydrophobicContact CZ-CD1 4.05Å; F221-L225 HydrophobicContact CZ-CD2 3.67Å; F221-L225 HydrophobicContact CZ-CG 3.94Å; F221-L225 WeakPolarHBondContact O-CG 3.44Å; F221-L225 PolarHBondContact O-N 2.72Å; Q222-L225 WeakPolarHBondContact O-CB 3.2Å; Q222-L225 PolarHBondContact O-N 2.94Å; R223-L225 VanDerWaalsContact C-N 3.33Å; L225-N227 PolarHBondContact O-N 2.92Å; L225-Q229 PolarHBondContact O-N 3.42Å; L225-Y230 HydrophobicContact CB-CD2 4.05Å; L225-Y230 HydrophobicContact CD2-CD2 3.84Å; L225-Y230 HydrophobicContact CD2-CE2 3.74Å; L225-Y230 HydrophobicContact CG-CD2 4.39Å; L225-Y230 CarbonylContact O-C 3.52Å; L225-Y230 VanDerWaalsContact O-CA 3.3Å; L225-Y230 WeakPolarHBondContact O-CA 3.29Å; L225-Y230 WeakPolarHBondContact O-CB 3.43Å; L225-Y230 PolarHBondContact O-N 3.09Å; L225-L297 HydrophobicContact CD1-CB 4.07Å; L225-L297 HydrophobicContact CD1-CD2 3.93Å; L225-L297 HydrophobicContact CD1-CG 4.17Å
226D74.7Confident74Confident3 Ų361.4 Ų61.42%0.01631%0.314CS..Iπ-helixtrans-72.1-27.4-173.9-71.9-29.8000114.1Q222 R223 K231 S298 V299 N300Q222-D226 PolarHBondContact O-N 3.06Å; R223-D226 PolarHBondContact O-N 3.43Å; D226-K231 VanDerWaalsContact O-CA 3.29Å; D226-K231 WeakPolarHBondContact O-CA 3.44Å; D226-K231 VanDerWaalsContact O-CG 3.23Å; D226-K231 WeakPolarHBondContact O-CG 3.48Å; D226-K231 PolarHBondContact O-N 3.2Å; D226-S298 WeakPolarHBondContact OD1-CA 3.18Å; D226-S298 WeakPolarHBondContact OD1-CB 3.38Å; D226-S298 PolarHBondContact OD1-OG 3.4Å; D226-V299 PolarHBondContact OD1-N 2.99Å; D226-V299 WeakPolarHBondContact OD2-CB 3.24Å; D226-V299 PolarHBondContact OD2-N 3.45Å; D226-N300 PolarHBondContact O-ND2 3.17Å
227N75.1Confident75.2Confident85 Ų8554.7 Ų54.746%0.45528%0.281SS..Iπ-helixtrans-104.9-14.8-175.4-60.8-41.2000114.7R223 L225 K231R223-N227 WeakPolarHBondContact O-CA 3.36Å; R223-N227 WeakPolarHBondContact O-CB 3.45Å; R223-N227 PolarHBondContact O-N 3.35Å; R223-N227 PolarHBondContact O-ND2 3.23Å; L225-N227 PolarHBondContact O-N 2.92Å; N227-K231 WeakPolarHBondContact O-CD 3.42Å; N227-K231 WeakPolarHBondContact O-CE 3.4Å; N227-K231 PolarHBondContact O-NZ 2.78Å
228V75.1Confident77.2Confident83 Ų8351.5 Ų51.550%0.50326%0.261SS..Iπ-helixtrans-113.7-64.6-179.1-173.20000110.2F224F224-V228 HydrophobicContact CD2-CB 3.88Å; F224-V228 HydrophobicContact CD2-CG1 4.3Å; F224-V228 HydrophobicContact CD2-CG2 3.68Å; F224-V228 HydrophobicContact CE2-CB 3.98Å; F224-V228 HydrophobicContact CE2-CG1 3.93Å; F224-V228 HydrophobicContact CE2-CG2 4.16Å; F224-V228 HydrophobicContact CG-CB 4.49Å; F224-V228 HydrophobicContact CG-CG2 4.42Å; F224-V228 WeakPolarHBondContact O-CA 3.4Å; F224-V228 WeakPolarHBondContact O-CB 3.43Å; F224-V228 PolarHBondContact O-N 2.9Å
229Q70.3Confident79.5Confident15 Ų1545.7 Ų45.77%0.0723%0.229CC..Iπ-helixtrans-91.6-40.4-169.3-170.6167.3-3.300113.6F224 L225 Y390F224-Q229 PolarHBondContact O-N 3.14Å; L225-Q229 PolarHBondContact O-N 3.42Å; Q229-Y390 PolarHBondContact NE2-OH 3.42Å
230Y78.3Confident81.5Confident31 Ų3146.9 Ų46.912%0.12223%0.233CC..  trans-119.240.4-171.4-53.5-57.8000112L225 I235 N300 M301 H344L225-Y230 HydrophobicContact CB-CD2 4.05Å; L225-Y230 HydrophobicContact CD2-CD2 3.84Å; L225-Y230 HydrophobicContact CD2-CE2 3.74Å; L225-Y230 HydrophobicContact CG-CD2 4.39Å; L225-Y230 CarbonylContact O-C 3.52Å; L225-Y230 VanDerWaalsContact O-CA 3.3Å; L225-Y230 WeakPolarHBondContact O-CA 3.29Å; L225-Y230 WeakPolarHBondContact O-CB 3.43Å; L225-Y230 PolarHBondContact O-N 3.09Å; Y230-I235 WeakPolarHBondContact O-CD1 3.49Å; Y230-N300 PolarHBondContact O-ND2 2.72Å; Y230-M301 HydrophobicContact CD1-CE 3.41Å; Y230-M301 VanDerWaalsContact CD1-CE 3.41Å; Y230-M301 HydrophobicContact CE1-CE 3.84Å; Y230-M301 HydrophobicContact CG-CE 3.8Å; Y230-H344 AromaticContact CE2-NE2 3.91Å; Y230-H344 AromaticContact CZ-NE2 3.94Å; Y230-H344 PolarHBondContact OH-NE2 3.16Å
231K84Confident83.1Confident105 Ų10541.9 Ų41.946%0.45721%0.206SC..  trans-55.1150.4158.3-77.5171.8155.4144.70109.5D226 N227 S233 G234 I235D226-K231 VanDerWaalsContact O-CA 3.29Å; D226-K231 WeakPolarHBondContact O-CA 3.44Å; D226-K231 VanDerWaalsContact O-CG 3.23Å; D226-K231 WeakPolarHBondContact O-CG 3.48Å; D226-K231 PolarHBondContact O-N 3.2Å; N227-K231 WeakPolarHBondContact O-CD 3.42Å; N227-K231 WeakPolarHBondContact O-CE 3.4Å; N227-K231 PolarHBondContact O-NZ 2.78Å; K231-S233 VanDerWaalsContact C-N 3.27Å; K231-S233 PolarHBondContact O-N 2.83Å; K231-G234 CarbonylContact O-C 3.53Å; K231-G234 VanDerWaalsContact O-CA 3.26Å; K231-G234 WeakPolarHBondContact O-CA 3.14Å; K231-G234 PolarHBondContact O-N 3.33Å; K231-I235 PolarHBondContact O-N 3.47Å
232S82.7Confident84.4Confident54 Ų5439.5 Ų39.538%0.37820%0.196SC..Hα-helixtrans-54.4-40.7-178-42.50000113.4I235 L236S232-I235 PolarHBondContact O-N 3.48Å; S232-L236 WeakPolarHBondContact O-CG 3.36Å; S232-L236 PolarHBondContact O-N 3.33Å
233S87.2Confident85.7Confident59 Ų5939.7 Ų39.741%0.41320%0.204SC..Hα-helixtrans-65.5-38.3174.155.50000112.5K231 L236 R237K231-S233 VanDerWaalsContact C-N 3.27Å; K231-S233 PolarHBondContact O-N 2.83Å; S233-L236 PolarHBondContact O-N 3.11Å; S233-R237 WeakPolarHBondContact O-CG 3.26Å; S233-R237 PolarHBondContact O-N 2.79Å
234G89.4Confident87Confident0 Ų045 Ų450%023%0.232CC..Hα-helixtrans-58.1-49172.200000112.1K231 R237 Y238K231-G234 CarbonylContact O-C 3.53Å; K231-G234 VanDerWaalsContact O-CA 3.26Å; K231-G234 WeakPolarHBondContact O-CA 3.14Å; K231-G234 PolarHBondContact O-N 3.33Å; G234-R237 WeakPolarHBondContact O-CG 3.23Å; G234-R237 PolarHBondContact O-N 3.41Å; G234-Y238 WeakPolarHBondContact O-CB 3.46Å; G234-Y238 WeakPolarHBondContact O-CD2 3.28Å; G234-Y238 PolarHBondContact O-N 3.5Å
235I92Very high88.1Confident0 Ų043.2 Ų43.20%023%0.227CC..Hα-helixtrans-59.3-50.1177.8-66.3169.8000110.9Y230 K231 S232 R237 Y238 E239 V247 I277 N300 M301 F304Y230-I235 WeakPolarHBondContact O-CD1 3.49Å; K231-I235 PolarHBondContact O-N 3.47Å; S232-I235 PolarHBondContact O-N 3.48Å; I235-R237 PolarHBondContact O-N 3.22Å; I235-Y238 WeakPolarHBondContact O-CB 3.34Å; I235-Y238 PolarHBondContact O-N 3.31Å; I235-E239 WeakPolarHBondContact O-CB 3.49Å; I235-E239 PolarHBondContact O-N 3.02Å; I235-V247 HydrophobicContact CG2-CG1 4.21Å; I235-I277 HydrophobicContact CG2-CD1 4.43Å; I235-I277 HydrophobicContact CG2-CG2 3.47Å; I235-I277 VanDerWaalsContact CG2-CG2 3.47Å; I235-N300 HydrophobicContact CD1-CB 3.51Å; I235-M301 HydrophobicContact CD1-CE 4.13Å; I235-M301 HydrophobicContact CD1-CG 4.05Å; I235-M301 HydrophobicContact CD1-SD 3.69Å; I235-M301 HydrophobicContact CG1-CE 3.8Å; I235-M301 HydrophobicContact CG1-SD 3.87Å; I235-M301 HydrophobicContact CG2-SD 4.06Å; I235-F304 HydrophobicContact CB-CE2 4.18Å; I235-F304 HydrophobicContact CD1-CD2 4.15Å; I235-F304 HydrophobicContact CD1-CE2 4.13Å; I235-F304 HydrophobicContact CG2-CD2 3.91Å; I235-F304 HydrophobicContact CG2-CE2 3.97Å
236L94.1Very high89.3Confident65 Ų6543.9 Ų43.934%0.3423%0.229SC..Hα-helixtrans-65-38.9-177.4-67.6173.6000112.7S232 S233 E239 R240 F304 F441S232-L236 WeakPolarHBondContact O-CG 3.36Å; S232-L236 PolarHBondContact O-N 3.33Å; S233-L236 PolarHBondContact O-N 3.11Å; L236-E239 PolarHBondContact O-N 3.29Å; L236-R240 PolarHBondContact O-N 3.05Å; L236-F304 HydrophobicContact CD1-CZ 4.11Å; L236-F304 HydrophobicContact CD2-CE1 3.78Å; L236-F304 HydrophobicContact CD2-CZ 3.83Å; L236-F304 HydrophobicContact CG-CE1 4.29Å; L236-F304 HydrophobicContact CG-CZ 3.84Å; L236-F441 HydrophobicContact CB-CE1 3.95Å; L236-F441 HydrophobicContact CB-CZ 4.39Å
237R95Very high90.3Very high37 Ų3745.3 Ų45.314%0.1424%0.238CC..Hα-helixtrans-70.6-36.3174.772.8-176.7-179.6-139-1.3111.7S233 G234 I235 E239 R240 V241 F437 F441 D445 I449S233-R237 WeakPolarHBondContact O-CG 3.26Å; S233-R237 PolarHBondContact O-N 2.79Å; G234-R237 WeakPolarHBondContact O-CG 3.23Å; G234-R237 PolarHBondContact O-N 3.41Å; I235-R237 PolarHBondContact O-N 3.22Å; R237-E239 VanDerWaalsContact C-N 3.33Å; R237-R240 PolarHBondContact O-N 3.03Å; R237-V241 WeakPolarHBondContact O-CG2 3.44Å; R237-V241 PolarHBondContact O-N 3.24Å; R237-F437 HydrophobicContact CB-CZ 4.14Å; R237-F441 HydrophobicContact CB-CD1 3.86Å; R237-F441 HydrophobicContact CB-CE1 3.73Å; R237-F441 HydrophobicContact CB-CG 4.37Å; R237-F441 HydrophobicContact CB-CZ 4.15Å; R237-D445 WeakPolarHBondContact CD-OD1 3.44Å; R237-D445 IonicContact CZ-OD1 2.67Å; R237-D445 IonicContact NE-OD1 3.54Å; R237-D445 IonicContact NH1-OD1 2.78Å; R237-D445 PolarHBondContact NH1-OD1 3.42Å; R237-I449 HydrophobicContact CG-CD1 4.24Å
238Y95.7Very high91.4Very high45 Ų4542 Ų4218%0.17622%0.221CC..Hα-helixtrans-61.1-44.9172.6-83.3-60000111G234 I235 R240 V241 F242 I449 W453G234-Y238 WeakPolarHBondContact O-CB 3.46Å; G234-Y238 WeakPolarHBondContact O-CD2 3.28Å; G234-Y238 PolarHBondContact O-N 3.5Å; I235-Y238 WeakPolarHBondContact O-CB 3.34Å; I235-Y238 PolarHBondContact O-N 3.31Å; Y238-R240 VanDerWaalsContact C-N 3.34Å; Y238-R240 PolarHBondContact O-N 3.49Å; Y238-V241 PolarHBondContact O-N 3.33Å; Y238-V241 VanDerWaalsContact O-N 3.11Å; Y238-F242 HydrophobicContact CD1-CD2 4.33Å; Y238-F242 AromaticContact CD1-CE2 3.66Å; Y238-F242 HydrophobicContact CD1-CE2 3.66Å; Y238-F242 HydrophobicContact CE1-CE2 4.48Å; Y238-F242 HydrophobicContact CG-CE2 4.34Å; Y238-F242 WeakPolarHBondContact O-CD2 3.46Å; Y238-F242 PolarHBondContact O-N 3.49Å; Y238-I449 HydrophobicContact CD1-CD1 4.46Å; Y238-I449 HydrophobicContact CE1-CD1 4.36Å; Y238-W453 AromaticContact CD1-CH2 3.79Å; Y238-W453 HydrophobicContact CD1-CH2 3.79Å; Y238-W453 HydrophobicContact CD1-CZ3 4.23Å; Y238-W453 AromaticContact CE1-CH2 3.87Å; Y238-W453 HydrophobicContact CE1-CH2 3.87Å; Y238-W453 AromaticContact CE1-CZ3 3.9Å; Y238-W453 HydrophobicContact CE1-CZ3 3.9Å
239E97.5Very high92.5Very high19 Ų1938 Ų389%0.08920%0.197CC..Hα-helixtrans-59.5-41.9174.8178.1178.9-146.400112.6I235 L236 R237 V241 F242 G243 G245 Y246 I277 R308I235-E239 WeakPolarHBondContact O-CB 3.49Å; I235-E239 PolarHBondContact O-N 3.02Å; L236-E239 PolarHBondContact O-N 3.29Å; R237-E239 VanDerWaalsContact C-N 3.33Å; E239-V241 PolarHBondContact O-N 2.92Å; E239-V241 VanDerWaalsContact O-N 3.17Å; E239-F242 PolarHBondContact O-N 3.45Å; E239-G243 CarbonylContact O-C 3.31Å; E239-G243 VanDerWaalsContact O-C 3.31Å; E239-G243 WeakPolarHBondContact O-CA 3.42Å; E239-G243 PolarHBondContact O-N 3.23Å; E239-G245 PolarHBondContact OE1-N 3.46Å; E239-Y246 WeakPolarHBondContact CA-O 3.43Å; E239-I277 HydrophobicContact CB-CD1 4.01Å; E239-I277 HydrophobicContact CG-CD1 4Å; E239-R308 IonicContact OE1-CZ 2.93Å; E239-R308 IonicContact OE1-NH1 2.74Å; E239-R308 PolarHBondContact OE1-NH1 3.07Å; E239-R308 IonicContact OE1-NH2 3.75Å; E239-R308 PolarHBondContact OE1-NH2 2.98Å; E239-R308 IonicContact OE2-CZ 2.74Å; E239-R308 IonicContact OE2-NH1 3.2Å; E239-R308 IonicContact OE2-NH2 2.65Å; E239-R308 PolarHBondContact OE2-NH2 3.25Å
240R97.5Very high93.8Very high60 Ų6037.5 Ų37.523%0.22620%0.195CC..Hα-helixtrans-56.8-32.7175.8179.165.3-169.6-154.110.2112.4L236 R237 Y238 E433 E436 F437 D440 F441L236-R240 PolarHBondContact O-N 3.05Å; R237-R240 PolarHBondContact O-N 3.03Å; Y238-R240 VanDerWaalsContact C-N 3.34Å; Y238-R240 PolarHBondContact O-N 3.49Å; R240-E433 IonicContact CZ-OE2 3.62Å; R240-E433 IonicContact NE-OE2 3.52Å; R240-E433 IonicContact NH2-OE2 2.82Å; R240-E433 PolarHBondContact NH2-OE2 3.21Å; R240-E436 IonicContact CZ-OE1 3.26Å; R240-E436 VanDerWaalsContact CZ-OE1 3.23Å; R240-E436 IonicContact NH1-OE1 3.14Å; R240-E436 PolarHBondContact NH1-OE1 2.93Å; R240-E436 IonicContact NH2-OE1 3.44Å; R240-E436 PolarHBondContact NH2-OE1 3.37Å; R240-E436 IonicContact NH2-OE2 2.75Å; R240-F437 HydrophobicContact CB-CE2 4.19Å; R240-F437 HydrophobicContact CG-CD2 3.73Å; R240-F437 HydrophobicContact CG-CE2 3.74Å; R240-D440 IonicContact NH1-OD2 2.68Å; R240-F441 HydrophobicContact CB-CE2 3.81Å; R240-F441 HydrophobicContact CB-CZ 3.97Å; R240-F441 HydrophobicContact CG-CE2 3.85Å; R240-F441 HydrophobicContact CG-CZ 4.5Å
241V97.7Very high94.7Very high6 Ų636 Ų364%0.03619%0.19CC..Hα-helixtrans-84.1-50-179.2-174.60000112.1R237 Y238 E239 E426 V430 F437 I449 W453R237-V241 WeakPolarHBondContact O-CG2 3.44Å; R237-V241 PolarHBondContact O-N 3.24Å; Y238-V241 PolarHBondContact O-N 3.33Å; Y238-V241 VanDerWaalsContact O-N 3.11Å; E239-V241 PolarHBondContact O-N 2.92Å; E239-V241 VanDerWaalsContact O-N 3.17Å; V241-E426 HydrophobicContact CG1-CB 3.89Å; V241-E426 HydrophobicContact CG1-CG 4.43Å; V241-V430 HydrophobicContact CB-CG2 4.28Å; V241-V430 HydrophobicContact CG1-CG2 3.91Å; V241-V430 HydrophobicContact CG2-CG2 3.73Å; V241-F437 HydrophobicContact CG2-CE2 4.2Å; V241-I449 HydrophobicContact CG2-CD1 4.11Å; V241-I449 HydrophobicContact CG2-CG1 4.23Å; V241-I449 HydrophobicContact CG2-CG2 3.57Å; V241-W453 HydrophobicContact CB-CH2 3.98Å; V241-W453 HydrophobicContact CB-CZ2 3.94Å; V241-W453 HydrophobicContact CG1-CD2 4.39Å; V241-W453 HydrophobicContact CG1-CH2 3.72Å; V241-W453 HydrophobicContact CG1-CZ2 3.23Å; V241-W453 HydrophobicContact CG2-CH2 4.25Å
242F97.7Very high95.4Very high20 Ų2035.9 Ų35.99%0.08819%0.189CC..Hα-helixtrans-76.7-31.2-175.4-69.6-60.2000113.2Y238 E239 V247 S248 G251 E426 W453Y238-F242 HydrophobicContact CD1-CD2 4.33Å; Y238-F242 AromaticContact CD1-CE2 3.66Å; Y238-F242 HydrophobicContact CD1-CE2 3.66Å; Y238-F242 HydrophobicContact CE1-CE2 4.48Å; Y238-F242 HydrophobicContact CG-CE2 4.34Å; Y238-F242 WeakPolarHBondContact O-CD2 3.46Å; Y238-F242 PolarHBondContact O-N 3.49Å; E239-F242 PolarHBondContact O-N 3.45Å; F242-V247 WeakPolarHBondContact CE2-O 3.24Å; F242-S248 VanDerWaalsContact CD1-C 3.45Å; F242-S248 WeakPolarHBondContact CD1-O 3.36Å; F242-S248 WeakPolarHBondContact CG-O 3.37Å; F242-G251 WeakPolarHBondContact O-CA 3.43Å; F242-E426 VanDerWaalsContact CD1-OE1 3.26Å; F242-E426 WeakPolarHBondContact CD1-OE1 3.43Å; F242-W453 HydrophobicContact CD1-CZ2 4.27Å; F242-W453 HydrophobicContact CE1-CH2 4.39Å; F242-W453 AromaticContact CE1-CZ2 3.65Å; F242-W453 HydrophobicContact CE1-CZ2 3.65Å; F242-W453 HydrophobicContact CE2-CH2 4.02Å; F242-W453 HydrophobicContact CE2-CZ2 4.08Å; F242-W453 AromaticContact CZ-CH2 3.85Å; F242-W453 HydrophobicContact CZ-CH2 3.85Å; F242-W453 AromaticContact CZ-CZ2 3.55Å; F242-W453 HydrophobicContact CZ-CZ2 3.55Å
243G97.8Very high96.2Very high28 Ų2838.2 Ų38.229%0.28919%0.194SC..  trans120.6151.7-176.100000112.4E239 G245 Y246E239-G243 CarbonylContact O-C 3.31Å; E239-G243 VanDerWaalsContact O-C 3.31Å; E239-G243 WeakPolarHBondContact O-CA 3.42Å; E239-G243 PolarHBondContact O-N 3.23Å; G243-G245 PolarHBondContact O-N 2.86Å; G243-Y246 PolarHBondContact O-N 2.87Å
244E97.5Very high96.7Very high176 Ų17635.4 Ų35.482%0.82218%0.175SC*.THydrogen-bonded Turntrans-48.8125.9-178.3-174.5-178.1175.700112.4Y246E244-Y246 WeakPolarHBondContact O-CD2 3.34Å; E244-Y246 VanDerWaalsContact O-CE2 3.3Å; E244-Y246 WeakPolarHBondContact O-CE2 3.42Å
245G97.2Very high97.2Very high10 Ų1035.5 Ų35.510%0.10318%0.175CC..THydrogen-bonded Turntrans88.1-6.6-178.100000115.4E239 G243 I277 G279E239-G245 PolarHBondContact OE1-N 3.46Å; G243-G245 PolarHBondContact O-N 2.86Å; G245-I277 VanDerWaalsContact O-CG1 3.26Å; G245-I277 WeakPolarHBondContact O-CG1 3.32Å; G245-G279 WeakPolarHBondContact O-CA 3.42Å; G245-G279 PolarHBondContact O-N 3.04Å
246Y98.3Very high97.5Very high20 Ų2041 Ų418%0.07820%0.199CC..  trans-124.6143.9-170.8-58.9-86.1000113.3E239 G243 E244 G251 F252 T255 G279E239-Y246 WeakPolarHBondContact CA-O 3.43Å; G243-Y246 PolarHBondContact O-N 2.87Å; E244-Y246 WeakPolarHBondContact O-CD2 3.34Å; E244-Y246 VanDerWaalsContact O-CE2 3.3Å; E244-Y246 WeakPolarHBondContact O-CE2 3.42Å; Y246-G251 VanDerWaalsContact CG-CA 3.49Å; Y246-F252 HydrophobicContact CD2-CB 4.47Å; Y246-F252 HydrophobicContact CE2-CB 3.77Å; Y246-T255 HydrophobicContact CE1-CG2 3.93Å; Y246-T255 VanDerWaalsContact CE1-OG1 3.23Å; Y246-T255 WeakPolarHBondContact CE1-OG1 3.47Å; Y246-G279 PolarHBondContact OH-O 2.9Å
247V97.1Very high97.7Very high34 Ų3440.8 Ų40.821%0.20620%0.196CC..  trans-125.322176.8-67.20000112I235 F242 I277 M301I235-V247 HydrophobicContact CG2-CG1 4.21Å; F242-V247 WeakPolarHBondContact CE2-O 3.24Å; V247-I277 HydrophobicContact CG1-CD1 3.85Å; V247-I277 HydrophobicContact CG1-CG1 4.29Å; V247-I277 HydrophobicContact CG1-CG2 4.48Å; V247-M301 HydrophobicContact CB-CE 4.22Å; V247-M301 HydrophobicContact CG1-CE 4.14Å; V247-M301 HydrophobicContact CG1-SD 4.39Å; V247-M301 HydrophobicContact CG2-CE 3.84Å; V247-M301 HydrophobicContact CG2-SD 4.31Å
248S97.1Very high97.9Very high14 Ų1439 Ų3910%0.09819%0.19CC..SBendtrans-146.1168.9-176.667.40000112.6F242 G250 G251F242-S248 VanDerWaalsContact CD1-C 3.45Å; F242-S248 WeakPolarHBondContact CD1-O 3.36Å; F242-S248 WeakPolarHBondContact CG-O 3.37Å; S248-G250 PolarHBondContact O-N 2.91Å; S248-G251 PolarHBondContact O-N 2.9Å
249T98.1Very high98Very high0 Ų036.9 Ų36.90%018%0.181CC..THydrogen-bonded Turntrans-44.1115.8-166.4-57.30000114.1G251 T254 R339 D340 F419 V422 W467T249-G251 PolarHBondContact O-N 3.01Å; T249-T254 WeakPolarHBondContact O-CB 3.36Å; T249-T254 WeakPolarHBondContact O-CG2 3.5Å; T249-T254 PolarHBondContact O-OG1 3.31Å; T249-R339 PolarHBondContact O-NH2 3.47Å; T249-D340 WeakPolarHBondContact CB-OD2 3.37Å; T249-D340 PolarHBondContact N-OD2 2.89Å; T249-D340 PolarHBondContact OG1-OD2 2.93Å; T249-F419 HydrophobicContact CG2-CD2 3.51Å; T249-F419 HydrophobicContact CG2-CE2 3.91Å; T249-F419 WeakPolarHBondContact OG1-CE2 2.87Å; T249-V422 HydrophobicContact CG2-CB 4.32Å; T249-V422 HydrophobicContact CG2-CG1 3.83Å; T249-W467 HydrophobicContact CG2-CD2 4.36Å; T249-W467 HydrophobicContact CG2-CE3 4.47Å; T249-W467 HydrophobicContact CG2-CH2 3.79Å; T249-W467 HydrophobicContact CG2-CZ2 3.69Å; T249-W467 HydrophobicContact CG2-CZ3 4.21Å
250G97.9Very high98Very high4 Ų439.3 Ų39.34%0.04121%0.205CC..THydrogen-bonded Turntrans76.32.3169.500000116.2S248 F252 E253 V422 E426S248-G250 PolarHBondContact O-N 2.91Å; G250-F252 PolarHBondContact O-N 2.78Å; G250-E253 PolarHBondContact O-N 3.23Å; G250-V422 VanDerWaalsContact CA-CG1 3.48Å; G250-E426 WeakPolarHBondContact CA-OE1 3.21Å; G250-E426 PolarHBondContact N-OE1 2.85Å
251G98.3Very high98.1Very high0 Ų040 Ų400%021%0.209CC..Hα-helixtrans52.4-127.1173.900000114.3F242 Y246 S248 T249 E253 T254 T255F242-G251 WeakPolarHBondContact O-CA 3.43Å; Y246-G251 VanDerWaalsContact CG-CA 3.49Å; S248-G251 PolarHBondContact O-N 2.9Å; T249-G251 PolarHBondContact O-N 3.01Å; G251-E253 VanDerWaalsContact C-N 3.33Å; G251-E253 PolarHBondContact O-N 2.93Å; G251-T254 PolarHBondContact O-OG1 2.95Å; G251-T255 WeakPolarHBondContact O-CB 3.35Å; G251-T255 PolarHBondContact O-N 3.42Å; G251-T255 PolarHBondContact O-OG1 3.14Å
252F98.5Very high98.1Very high102 Ų10240 Ų4045%0.44721%0.209SC..Hα-helixtrans-61.1-36.4-176.4175.1-111.5000113.8Y246 G250 T255 K256 Y283Y246-F252 HydrophobicContact CD2-CB 4.47Å; Y246-F252 HydrophobicContact CE2-CB 3.77Å; G250-F252 PolarHBondContact O-N 2.78Å; F252-T255 PolarHBondContact O-N 3.08Å; F252-K256 HydrophobicContact CE1-CD 4.24Å; F252-K256 HydrophobicContact CZ-CD 4.16Å; F252-K256 WeakPolarHBondContact O-CB 3.26Å; F252-K256 PolarHBondContact O-N 2.74Å; F252-Y283 HydrophobicContact CD2-CD2 4.35Å; F252-Y283 AromaticContact CE2-CD2 3.56Å; F252-Y283 HydrophobicContact CE2-CD2 3.56Å; F252-Y283 AromaticContact CE2-CE2 3.66Å; F252-Y283 HydrophobicContact CE2-CE2 3.66Å; F252-Y283 HydrophobicContact CE2-CG 4.23Å; F252-Y283 HydrophobicContact CZ-CD2 4.49Å; F252-Y283 HydrophobicContact CZ-CE2 4.21Å
253E98.4Very high98.1Very high104 Ų10444.1 Ų44.149%0.48623%0.232SC..Hα-helixtrans-67.8-49.6-172.5-177.1-171-164.400112.2G250 G251 T255 K256 E257 R425G250-E253 PolarHBondContact O-N 3.23Å; G251-E253 VanDerWaalsContact C-N 3.33Å; G251-E253 PolarHBondContact O-N 2.93Å; E253-T255 VanDerWaalsContact C-N 3.31Å; E253-K256 PolarHBondContact O-N 3.04Å; E253-E257 PolarHBondContact O-N 2.71Å; E253-R425 IonicContact OE1-NH1 2.79Å; E253-R425 IonicContact OE2-CZ 3.68Å; E253-R425 IonicContact OE2-NH1 3.24Å; E253-R425 PolarHBondContact OE2-NH1 2.81Å; E253-R425 IonicContact OE2-NH2 3.8Å; E253-R425 PolarHBondContact OE2-NH2 2.98Å
254T98.5Very high98.1Very high0 Ų043.2 Ų43.20%022%0.22CC..Hα-helixtrans-67.3-36.817755.40000110.6T249 G251 K256 E257 F258 R339 V422 W467T249-T254 WeakPolarHBondContact O-CB 3.36Å; T249-T254 WeakPolarHBondContact O-CG2 3.5Å; T249-T254 PolarHBondContact O-OG1 3.31Å; G251-T254 PolarHBondContact O-OG1 2.95Å; T254-K256 PolarHBondContact O-N 3.47Å; T254-E257 PolarHBondContact O-N 3.11Å; T254-F258 HydrophobicContact CG2-CE2 4.46Å; T254-F258 WeakPolarHBondContact O-CD2 3.1Å; T254-F258 WeakPolarHBondContact O-CG 3.46Å; T254-F258 PolarHBondContact O-N 3.42Å; T254-R339 PolarHBondContact OG1-NH2 3.28Å; T254-V422 HydrophobicContact CG2-CG2 4.44Å; T254-W467 HydrophobicContact CG2-CH2 4.18Å
255T98.7Very high98.1Very high1 Ų139.1 Ų39.11%0.00620%0.2CC..Hα-helixtrans-58.2-48.3173-60.30000111.3Y246 G251 F252 E253 E257 F258 V259 Y283 R339Y246-T255 HydrophobicContact CE1-CG2 3.93Å; Y246-T255 VanDerWaalsContact CE1-OG1 3.23Å; Y246-T255 WeakPolarHBondContact CE1-OG1 3.47Å; G251-T255 WeakPolarHBondContact O-CB 3.35Å; G251-T255 PolarHBondContact O-N 3.42Å; G251-T255 PolarHBondContact O-OG1 3.14Å; F252-T255 PolarHBondContact O-N 3.08Å; E253-T255 VanDerWaalsContact C-N 3.31Å; T255-E257 VanDerWaalsContact C-N 3.35Å; T255-E257 PolarHBondContact O-N 3.36Å; T255-F258 PolarHBondContact O-N 3.03Å; T255-V259 HydrophobicContact CG2-CG2 3.99Å; T255-V259 VanDerWaalsContact O-CB 3.27Å; T255-V259 WeakPolarHBondContact O-CB 3.31Å; T255-V259 WeakPolarHBondContact O-CG2 3.46Å; T255-V259 PolarHBondContact O-N 3.27Å; T255-Y283 HydrophobicContact CG2-CD1 3.71Å; T255-Y283 HydrophobicContact CG2-CE1 4.26Å; T255-R339 PolarHBondContact OG1-NH1 2.96Å
256K98.6Very high98.2Very high117 Ų11743.1 Ų43.151%0.50922%0.224SC..Hα-helixtrans-60.3-42.6175.7178.4175179.7-179.30112.3F252 E253 T254 A260F252-K256 HydrophobicContact CE1-CD 4.24Å; F252-K256 HydrophobicContact CZ-CD 4.16Å; F252-K256 WeakPolarHBondContact O-CB 3.26Å; F252-K256 PolarHBondContact O-N 2.74Å; E253-K256 PolarHBondContact O-N 3.04Å; T254-K256 PolarHBondContact O-N 3.47Å; K256-A260 WeakPolarHBondContact O-CB 3.27Å; K256-A260 PolarHBondContact O-N 2.95Å
257E98.6Very high98Very high60 Ų6045.5 Ų45.528%0.2826%0.255SS..Hα-helixtrans-59.3-49.2176.2-177.1-170.7164.500111.7E253 T254 T255 R415 Q418E253-E257 PolarHBondContact O-N 2.71Å; T254-E257 PolarHBondContact O-N 3.11Å; T255-E257 VanDerWaalsContact C-N 3.35Å; T255-E257 PolarHBondContact O-N 3.36Å; E257-R415 IonicContact OE1-CZ 2.75Å; E257-R415 IonicContact OE1-NH1 2.73Å; E257-R415 PolarHBondContact OE1-NH1 2.76Å; E257-R415 IonicContact OE1-NH2 3.46Å; E257-R415 PolarHBondContact OE1-NH2 2.81Å; E257-R415 IonicContact OE2-NH1 2.76Å; E257-Q418 PolarHBondContact OE2-NE2 3.43Å
258F98.6Very high98.1Very high0 Ų046.1 Ų46.10%026%0.255CS..Hα-helixtrans-78.3-40.2-172.1-57.5-33.4000112.8T254 T255 A260 K261 L366 T368 W467 L469T254-F258 HydrophobicContact CG2-CE2 4.46Å; T254-F258 WeakPolarHBondContact O-CD2 3.1Å; T254-F258 WeakPolarHBondContact O-CG 3.46Å; T254-F258 PolarHBondContact O-N 3.42Å; T255-F258 PolarHBondContact O-N 3.03Å; F258-A260 PolarHBondContact O-N 2.66Å; F258-K261 VanDerWaalsContact O-CB 3.32Å; F258-K261 WeakPolarHBondContact O-CB 3.47Å; F258-K261 PolarHBondContact O-N 2.75Å; F258-L366 HydrophobicContact CB-CD1 4.23Å; F258-L366 HydrophobicContact CB-CD2 3.93Å; F258-L366 VanDerWaalsContact O-CD1 3.31Å; F258-L366 WeakPolarHBondContact O-CD1 3.16Å; F258-T368 HydrophobicContact CD2-CG2 3.66Å; F258-T368 HydrophobicContact CE2-CG2 3.45Å; F258-T368 VanDerWaalsContact CE2-CG2 3.45Å; F258-T368 HydrophobicContact CG-CG2 4.43Å; F258-T368 HydrophobicContact CZ-CG2 4.06Å; F258-W467 AromaticContact CE2-CH2 3.55Å; F258-W467 HydrophobicContact CE2-CH2 3.55Å; F258-W467 AromaticContact CE2-CZ2 3.9Å; F258-W467 HydrophobicContact CE2-CZ2 3.9Å; F258-W467 AromaticContact CZ-CH2 3.43Å; F258-W467 HydrophobicContact CZ-CH2 3.43Å; F258-W467 VanDerWaalsContact CZ-CH2 3.43Å; F258-W467 HydrophobicContact CZ-CZ2 4.16Å; F258-W467 HydrophobicContact CZ-CZ3 4.06Å; F258-L469 HydrophobicContact CD1-CD1 3.97Å; F258-L469 HydrophobicContact CD1-CD2 3.91Å; F258-L469 HydrophobicContact CE1-CD1 4.22Å; F258-L469 HydrophobicContact CE1-CD2 3.8Å; F258-L469 HydrophobicContact CE1-CG 4.5Å; F258-L469 HydrophobicContact CG-CD1 4.27Å
259V98.5Very high98.2Very high0 Ų048.9 Ų48.90%027%0.265CS..Hα-helixtrans-61-34.2175.6171.60000111.1T255 K261 M262 L264 Y283 M284 F288T255-V259 HydrophobicContact CG2-CG2 3.99Å; T255-V259 VanDerWaalsContact O-CB 3.27Å; T255-V259 WeakPolarHBondContact O-CB 3.31Å; T255-V259 WeakPolarHBondContact O-CG2 3.46Å; T255-V259 PolarHBondContact O-N 3.27Å; V259-K261 PolarHBondContact O-N 3.15Å; V259-K261 VanDerWaalsContact O-N 3.15Å; V259-M262 HydrophobicContact CB-CE 4.5Å; V259-M262 HydrophobicContact CB-SD 4.38Å; V259-M262 HydrophobicContact CG1-SD 4.37Å; V259-M262 HydrophobicContact CG2-CE 3.96Å; V259-M262 HydrophobicContact CG2-SD 4.24Å; V259-M262 WeakPolarHBondContact O-CB 3.37Å; V259-M262 PolarHBondContact O-N 3.36Å; V259-L264 HydrophobicContact CG1-CD1 3.81Å; V259-Y283 HydrophobicContact CB-CD1 4.45Å; V259-Y283 HydrophobicContact CB-CE1 3.81Å; V259-Y283 HydrophobicContact CG1-CD1 4.44Å; V259-Y283 HydrophobicContact CG1-CE1 3.84Å; V259-Y283 HydrophobicContact CG2-CD1 4.16Å; V259-Y283 HydrophobicContact CG2-CE1 4Å; V259-M284 HydrophobicContact CG1-CG 3.9Å; V259-M284 HydrophobicContact CG2-CG 3.77Å; V259-M284 HydrophobicContact CG2-SD 4.06Å; V259-F288 HydrophobicContact CG1-CD2 4.04Å; V259-F288 HydrophobicContact CG1-CE2 3.43Å; V259-F288 VanDerWaalsContact CG1-CE2 3.43Å; V259-F288 HydrophobicContact CG1-CZ 3.83Å
260A98.2Very high98.2Very high70 Ų7048.9 Ų48.958%0.57927%0.265SS*.G310 helixtrans-60.1-24.9173.900000113.4K256 F258 M262K256-A260 WeakPolarHBondContact O-CB 3.27Å; K256-A260 PolarHBondContact O-N 2.95Å; F258-A260 PolarHBondContact O-N 2.66Å; A260-M262 VanDerWaalsContact C-N 3.34Å
261K98.4Very high98.2Very high74 Ų7448.7 Ų48.732%0.32226%0.263SS..G310 helixtrans-80.4-13.8177.4-59.1173.6-179.4-79.30113.3F258 V259 D263 L366 L469 I471F258-K261 VanDerWaalsContact O-CB 3.32Å; F258-K261 WeakPolarHBondContact O-CB 3.47Å; F258-K261 PolarHBondContact O-N 2.75Å; V259-K261 PolarHBondContact O-N 3.15Å; V259-K261 VanDerWaalsContact O-N 3.15Å; K261-D263 VanDerWaalsContact C-N 3.31Å; K261-L366 HydrophobicContact CB-CD1 4.14Å; K261-L469 HydrophobicContact CD-CD2 4.21Å; K261-I471 HydrophobicContact CB-CD1 4.11Å; K261-I471 HydrophobicContact CD-CD1 3.65Å; K261-I471 HydrophobicContact CG-CD1 4.48Å
262M98Very high98.3Very high6 Ų649 Ų493%0.0327%0.265CS..G310 helixtrans-78.4-17.4179.3-60.2173-172.300112.9V259 A260 L264 M284 V335 Y337 L366V259-M262 HydrophobicContact CB-CE 4.5Å; V259-M262 HydrophobicContact CB-SD 4.38Å; V259-M262 HydrophobicContact CG1-SD 4.37Å; V259-M262 HydrophobicContact CG2-CE 3.96Å; V259-M262 HydrophobicContact CG2-SD 4.24Å; V259-M262 WeakPolarHBondContact O-CB 3.37Å; V259-M262 PolarHBondContact O-N 3.36Å; A260-M262 VanDerWaalsContact C-N 3.34Å; M262-L264 VanDerWaalsContact C-N 3.28Å; M262-L264 HydrophobicContact CB-CD2 3.97Å; M262-L264 HydrophobicContact CB-CG 3.91Å; M262-L264 PolarHBondContact O-N 3.32Å; M262-L264 HydrophobicContact SD-CD1 4.35Å; M262-L264 HydrophobicContact SD-CD2 4.34Å; M262-L264 HydrophobicContact SD-CG 4.39Å; M262-M284 HydrophobicContact CE-SD 4.45Å; M262-M284 HydrophobicContact SD-SD 4.13Å; M262-V335 HydrophobicContact CB-CG2 4.45Å; M262-V335 HydrophobicContact CG-CG1 4.23Å; M262-V335 HydrophobicContact SD-CG1 3.99Å; M262-Y337 HydrophobicContact CE-CD1 4.45Å; M262-Y337 HydrophobicContact CE-CD2 3.05Å; M262-Y337 HydrophobicContact CE-CE2 3.34Å; M262-Y337 HydrophobicContact CE-CG 3.63Å; M262-L366 HydrophobicContact CE-CB 4.17Å; M262-L366 HydrophobicContact CE-CD1 4.13Å; M262-L366 HydrophobicContact CE-CD2 4Å; M262-L366 HydrophobicContact CE-CG 4.32Å; M262-L366 HydrophobicContact CG-CB 4.49Å; M262-L366 HydrophobicContact CG-CD1 4.03Å
263D97.2Very high98.3Very high106 Ų10644.1 Ų44.157%0.56724%0.244SC*.THydrogen-bonded Turntrans52.344.6-175.5-167.143.2000112.7K261 K265K261-D263 VanDerWaalsContact C-N 3.31Å; D263-K265 PolarHBondContact O-NZ 2.99Å; D263-K265 IonicContact OD1-NZ 2.69Å; D263-K265 PolarHBondContact OD1-NZ 3.41Å; D263-K265 IonicContact OD2-NZ 3.19Å; D263-K265 PolarHBondContact OD2-NZ 3.46Å
264L98.5Very high98.2Very high10 Ų1039.9 Ų39.95%0.05223%0.228CC..  trans-56.3144.2-177.6-64.7178.5000112.3V259 M262 V270 M284 F288 V290 V335V259-L264 HydrophobicContact CG1-CD1 3.81Å; M262-L264 VanDerWaalsContact C-N 3.28Å; M262-L264 HydrophobicContact CB-CD2 3.97Å; M262-L264 HydrophobicContact CB-CG 3.91Å; M262-L264 PolarHBondContact O-N 3.32Å; M262-L264 HydrophobicContact SD-CD1 4.35Å; M262-L264 HydrophobicContact SD-CD2 4.34Å; M262-L264 HydrophobicContact SD-CG 4.39Å; L264-V270 HydrophobicContact CD2-CG2 3.79Å; L264-M284 HydrophobicContact CD1-CB 4.25Å; L264-M284 HydrophobicContact CD1-CG 4.08Å; L264-M284 HydrophobicContact CD1-SD 4.25Å; L264-F288 HydrophobicContact CB-CB 3.75Å; L264-F288 HydrophobicContact CB-CD1 3.82Å; L264-F288 HydrophobicContact CB-CG 3.85Å; L264-F288 HydrophobicContact CD1-CB 4.04Å; L264-F288 HydrophobicContact CD1-CD2 4.01Å; L264-F288 HydrophobicContact CD1-CG 3.94Å; L264-V290 HydrophobicContact CB-CG1 4.04Å; L264-V290 HydrophobicContact CD1-CG1 4.34Å; L264-V290 HydrophobicContact CD1-CG2 4.23Å; L264-V290 HydrophobicContact CD2-CG1 4.35Å; L264-V290 HydrophobicContact CG-CG1 4.47Å; L264-V335 HydrophobicContact CD2-CB 4.43Å; L264-V335 HydrophobicContact CD2-CG2 3.77Å
265K98.4Very high98.2Very high89 Ų8940.3 Ų40.339%0.38723%0.231SC..  trans-127.4145.2178.7-60-68.9168.2-73.40110.5D263 G267 Q268 V290D263-K265 PolarHBondContact O-NZ 2.99Å; D263-K265 IonicContact OD1-NZ 2.69Å; D263-K265 PolarHBondContact OD1-NZ 3.41Å; D263-K265 IonicContact OD2-NZ 3.19Å; D263-K265 PolarHBondContact OD2-NZ 3.46Å; K265-G267 PolarHBondContact O-N 3.32Å; K265-Q268 HydrophobicContact CB-CG 4.13Å; K265-Q268 VanDerWaalsContact O-CB 3.31Å; K265-Q268 WeakPolarHBondContact O-CB 3.29Å; K265-Q268 WeakPolarHBondContact O-CG 3.33Å; K265-Q268 PolarHBondContact O-N 3.39Å; K265-Q268 VanDerWaalsContact O-N 3.1Å; K265-V290 WeakPolarHBondContact O-CG1 3.25Å
266P98.3Very high98.1Very high95 Ų9540.4 Ų40.462%0.61723%0.232SC*.THydrogen-bonded Turntrans-50.3134.5176.2-29.836.5000112.8Q268 F288 D289P266-Q268 VanDerWaalsContact C-N 3.32Å; P266-Q268 PolarHBondContact O-N 2.96Å; P266-F288 WeakPolarHBondContact CA-O 3.49Å; P266-D289 WeakPolarHBondContact CA-O 3.34Å; P266-D289 HydrophobicContact CB-CB 4.05Å; P266-D289 HydrophobicContact CG-CB 4.36Å
267G94.8Very high97.9Very high70 Ų7034.9 Ų34.972%0.72221%0.208SC*.THydrogen-bonded Turntrans82.3-3.5-179.600000115.9K265 D289K265-G267 PolarHBondContact O-N 3.32Å; G267-D289 PolarHBondContact N-O 3.4Å
268Q98.5Very high97.8Very high47 Ų4732 Ų3222%0.2219%0.194CC..  trans-68.2157.8171.4-75.4-177.2-36.600112K265 P266 V290 H291 D334K265-Q268 HydrophobicContact CB-CG 4.13Å; K265-Q268 VanDerWaalsContact O-CB 3.31Å; K265-Q268 WeakPolarHBondContact O-CB 3.29Å; K265-Q268 WeakPolarHBondContact O-CG 3.33Å; K265-Q268 PolarHBondContact O-N 3.39Å; K265-Q268 VanDerWaalsContact O-N 3.1Å; P266-Q268 VanDerWaalsContact C-N 3.32Å; P266-Q268 PolarHBondContact O-N 2.96Å; Q268-V290 HydrophobicContact CB-CG1 4.03Å; Q268-V290 WeakPolarHBondContact O-CA 3.46Å; Q268-V290 WeakPolarHBondContact O-CB 3.28Å; Q268-H291 PolarHBondContact O-N 2.74Å; Q268-D334 WeakPolarHBondContact CA-OD2 3.47Å; Q268-D334 HydrophobicContact CB-CB 3.93Å; Q268-D334 HydrophobicContact CG-CB 3.94Å
269K98.4Very high97.8Very high71 Ų7132.4 Ų32.431%0.30920%0.199SC..EExtended strand (participates in β ladder)trans-111.8124.7178.5-150.3178.5-158.9-169.10111H291 V293 F333 D334 V335K269-H291 CarbonylContact C-O 3.6Å; K269-H291 WeakPolarHBondContact CA-O 3.06Å; K269-H291 WeakPolarHBondContact CE-CD2 3.31Å; K269-H291 HydrophobicContact CG-CB 4.44Å; K269-V293 HydrophobicContact CD-CG2 4.36Å; K269-V293 HydrophobicContact CG-CG2 4.35Å; K269-F333 HydrophobicContact CB-CD1 4.43Å; K269-F333 HydrophobicContact CD-CD1 4.12Å; K269-F333 HydrophobicContact CD-CE1 4.19Å; K269-F333 HydrophobicContact CG-CD1 4.07Å; K269-F333 HydrophobicContact CG-CE1 4.45Å; K269-D334 PolarHBondContact N-OD2 3.32Å; K269-D334 PolarHBondContact O-N 3.3Å; K269-V335 PolarHBondContact O-N 3.44Å
270V98.9Very high97.8Very high0 Ų032.8 Ų32.80%020%0.202CC..EExtended strand (participates in β ladder)trans-110.5135.2177.7-1740000109.2L264 M284 V290 H291 V292 V293 V335L264-V270 HydrophobicContact CD2-CG2 3.79Å; V270-M284 HydrophobicContact CG1-CE 4.12Å; V270-M284 HydrophobicContact CG1-SD 4.06Å; V270-V290 HydrophobicContact CG2-CB 4.32Å; V270-V290 HydrophobicContact CG2-CG2 4.12Å; V270-H291 PolarHBondContact N-O 2.67Å; V270-V292 HydrophobicContact CB-CG1 4.37Å; V270-V292 HydrophobicContact CB-CG2 4.36Å; V270-V292 WeakPolarHBondContact O-CA 3.27Å; V270-V293 PolarHBondContact O-N 2.92Å; V270-V335 CarbonylContact C-O 3.59Å; V270-V335 WeakPolarHBondContact CA-O 3.02Å; V270-V335 HydrophobicContact CG1-CB 4.19Å; V270-V335 HydrophobicContact CG1-CG1 4.27Å; V270-V335 HydrophobicContact CG2-CB 4.22Å
271L98.8Very high97.8Very high0 Ų029.5 Ų29.50%018%0.175CC..EExtended strand (participates in β ladder)trans-98.8121.6163.5176.970.9000108.4V273 V293 I295 Y328 F333 V335 I336 Y337 W358L271-V273 HydrophobicContact CD2-CG2 3.69Å; L271-V273 HydrophobicContact CG-CG2 3.82Å; L271-V293 CarbonylContact C-O 3.59Å; L271-V293 WeakPolarHBondContact CA-O 3.38Å; L271-V293 HydrophobicContact CD1-CB 4.27Å; L271-V293 HydrophobicContact CD1-CG1 4.14Å; L271-V293 WeakPolarHBondContact CD1-O 3.35Å; L271-I295 HydrophobicContact CD1-CD1 4.38Å; L271-I295 HydrophobicContact CD1-CG1 4.36Å; L271-I295 HydrophobicContact CD1-CG2 4.48Å; L271-Y328 HydrophobicContact CD1-CE2 3.93Å; L271-Y328 HydrophobicContact CD2-CE2 4.39Å; L271-F333 HydrophobicContact CB-CB 4.47Å; L271-F333 HydrophobicContact CB-CD1 3.73Å; L271-F333 HydrophobicContact CB-CD2 3.87Å; L271-F333 HydrophobicContact CB-CE1 3.81Å; L271-F333 HydrophobicContact CB-CE2 3.96Å; L271-F333 HydrophobicContact CB-CG 3.76Å; L271-F333 HydrophobicContact CB-CZ 3.92Å; L271-F333 HydrophobicContact CD1-CE1 4.28Å; L271-F333 HydrophobicContact CD1-CE2 4.3Å; L271-F333 HydrophobicContact CD1-CZ 3.89Å; L271-F333 HydrophobicContact CD2-CD2 4.18Å; L271-F333 HydrophobicContact CD2-CE2 3.86Å; L271-F333 HydrophobicContact CD2-CZ 4.3Å; L271-F333 HydrophobicContact CG-CE2 4.26Å; L271-F333 HydrophobicContact CG-CZ 4.25Å; L271-V335 PolarHBondContact N-O 3.4Å; L271-I336 HydrophobicContact CB-CG1 4.24Å; L271-I336 HydrophobicContact CD2-CG1 4.3Å; L271-I336 HydrophobicContact CD2-CG2 4.37Å; L271-Y337 PolarHBondContact O-N 3.12Å; L271-W358 HydrophobicContact CD2-CE3 3.66Å; L271-W358 HydrophobicContact CD2-CZ3 3.84Å
272D98.9Very high97.7Very high6 Ų627 Ų273%0.03216%0.164CC..EExtended strand (participates in β ladder)trans-99.6114.7168.8-167-21.1000109.3C275 D281 V292 V293 I295 Y337D272-C275 HydrophobicContact CB-CB 4.04Å; D272-D281 WeakPolarHBondContact CB-OD1 3.36Å; D272-V292 HydrophobicContact CB-CG1 4.25Å; D272-V293 PolarHBondContact N-O 3.35Å; D272-I295 PolarHBondContact O-N 3.23Å; D272-Y337 WeakPolarHBondContact CA-O 2.96Å; D272-Y337 HydrophobicContact CB-CD1 4.18Å; D272-Y337 VanDerWaalsContact CG-CD1 3.5Å; D272-Y337 VanDerWaalsContact OD2-CD1 3.23Å; D272-Y337 WeakPolarHBondContact OD2-CD1 3.48Å; D272-Y337 WeakPolarHBondContact OD2-CE1 3.48Å
273V98.6Very high97.8Very high1 Ų127.9 Ų27.91%0.00617%0.167CC..EExtended strand (participates in β ladder)trans-97.5107-179.8-178.40000109.3L271 I295 C323 I336 Y337 S338 T341 F355L271-V273 HydrophobicContact CD2-CG2 3.69Å; L271-V273 HydrophobicContact CG-CG2 3.82Å; V273-I295 HydrophobicContact CG2-CD1 4.42Å; V273-C323 HydrophobicContact CG1-CB 3.49Å; V273-C323 VanDerWaalsContact CG1-CB 3.49Å; V273-I336 HydrophobicContact CG2-CG2 4.21Å; V273-Y337 PolarHBondContact N-O 3.09Å; V273-S338 WeakPolarHBondContact O-CB 3.2Å; V273-S338 PolarHBondContact O-OG 2.92Å; V273-T341 PolarHBondContact O-OG1 2.93Å; V273-F355 HydrophobicContact CB-CZ 4.22Å; V273-F355 HydrophobicContact CG1-CZ 4.17Å; V273-F355 HydrophobicContact CG2-CE1 3.91Å; V273-F355 HydrophobicContact CG2-CZ 3.76Å
274G97.5Very high97.8Very high14 Ų1422.8 Ų22.814%0.14414%0.14CC..THydrogen-bonded Turntrans87.348-169.900000112.3G276 I295 T341G274-G276 PolarHBondContact O-N 3.04Å; G274-G276 VanDerWaalsContact O-N 3.07Å; G274-I295 VanDerWaalsContact CA-O 3.31Å; G274-I295 WeakPolarHBondContact CA-O 3.49Å; G274-I295 PolarHBondContact N-O 3.31Å; G274-T341 VanDerWaalsContact CA-CG2 3.49Å
275C97.7Very high97.7Very high10 Ų1022.5 Ų22.57%0.06814%0.139CC..  trans-65.2-12.7-172.467.30000114D272 I277 G278 D281 G294 I295 I302 F318D272-C275 HydrophobicContact CB-CB 4.04Å; C275-I277 PolarHBondContact O-N 3.1Å; C275-G278 PolarHBondContact O-N 3.45Å; C275-G278 VanDerWaalsContact O-N 3.14Å; C275-D281 WeakPolarHBondContact CB-OD2 3.45Å; C275-G294 VanDerWaalsContact SG-C 3.56Å; C275-I295 PolarHBondContact N-O 3.07Å; C275-I302 VanDerWaalsContact SG-CD1 3.51Å; C275-F318 HydrophobicContact CB-CD1 4.49Å; C275-F318 HydrophobicContact CB-CE1 4.29Å
276G95.9Very high97.6Very high2 Ų223.7 Ų23.72%0.02115%0.146CC..THydrogen-bonded Turntrans56.7-126178.600000111.8G274 D296 M301G274-G276 PolarHBondContact O-N 3.04Å; G274-G276 VanDerWaalsContact O-N 3.07Å; G276-D296 WeakPolarHBondContact CA-OD2 3.35Å; G276-D296 PolarHBondContact N-OD2 2.78Å; G276-M301 CarbonylContact O-C 3.57Å; G276-M301 WeakPolarHBondContact O-CB 3.28Å
277I96Very high97.6Very high1 Ų123.9 Ų23.91%0.00514%0.142CC..THydrogen-bonded Turntrans-94.814.1-177.867.9-171.3000114.3I235 E239 G245 V247 C275 M301 F304I235-I277 HydrophobicContact CG2-CD1 4.43Å; I235-I277 HydrophobicContact CG2-CG2 3.47Å; I235-I277 VanDerWaalsContact CG2-CG2 3.47Å; E239-I277 HydrophobicContact CB-CD1 4.01Å; E239-I277 HydrophobicContact CG-CD1 4Å; G245-I277 VanDerWaalsContact O-CG1 3.26Å; G245-I277 WeakPolarHBondContact O-CG1 3.32Å; V247-I277 HydrophobicContact CG1-CD1 3.85Å; V247-I277 HydrophobicContact CG1-CG1 4.29Å; V247-I277 HydrophobicContact CG1-CG2 4.48Å; C275-I277 PolarHBondContact O-N 3.1Å; I277-M301 HydrophobicContact CG2-SD 3.6Å; I277-F304 HydrophobicContact CB-CB 4.01Å; I277-F304 HydrophobicContact CG2-CB 3.67Å; I277-F304 HydrophobicContact CG2-CD2 4.18Å; I277-F304 HydrophobicContact CG2-CG 4.19Å
278G96.8Very high97.8Very high0 Ų023 Ų230%012%0.118CC..SBendtrans92.9-7.3164.500000117.3C275 G280 D281 F282C275-G278 PolarHBondContact O-N 3.45Å; C275-G278 VanDerWaalsContact O-N 3.14Å; G278-G280 VanDerWaalsContact C-N 3.34Å; G278-G280 PolarHBondContact O-N 3.18Å; G278-D281 VanDerWaalsContact CA-OD2 3.22Å; G278-D281 WeakPolarHBondContact CA-OD2 3.12Å; G278-D281 WeakPolarHBondContact O-CB 3.36Å; G278-D281 PolarHBondContact O-N 3.1Å; G278-D281 VanDerWaalsContact O-N 3.09Å; G278-F282 VanDerWaalsContact C-CD2 3.47Å; G278-F282 WeakPolarHBondContact O-CD2 3.27Å; G278-F282 WeakPolarHBondContact O-CE2 3.36Å; G278-F282 WeakPolarHBondContact O-CG 3.42Å; G278-F282 PolarHBondContact O-N 3.49Å
279G97.8Very high97.7Very high9 Ų926.2 Ų26.29%0.09314%0.137CC..Hα-helixtrans-60.3-39.5-170.300000114.3G245 Y246 Y283G245-G279 WeakPolarHBondContact O-CA 3.42Å; G245-G279 PolarHBondContact O-N 3.04Å; Y246-G279 PolarHBondContact OH-O 2.9Å; G279-Y283 WeakPolarHBondContact O-CB 3.22Å; G279-Y283 PolarHBondContact O-N 2.99Å; G279-Y283 VanDerWaalsContact O-N 3.12Å
280G98.5Very high97.6Very high7 Ų722.9 Ų22.97%0.07212%0.123CC..Hα-helixtrans-67.2-4017500000112.5G278 Y283 M284G278-G280 VanDerWaalsContact C-N 3.34Å; G278-G280 PolarHBondContact O-N 3.18Å; G280-Y283 PolarHBondContact O-N 3.18Å; G280-M284 WeakPolarHBondContact O-CG 3.27Å; G280-M284 PolarHBondContact O-N 3.44Å
281D98.3Very high97.5Very high1 Ų125.1 Ų25.11%0.00513%0.133CC..Hα-helixtrans-64.5-47.5178.6-48.6-83.7000111.6D272 C275 G278 Y283 M284 A285 V292 V316 F318D272-D281 WeakPolarHBondContact CB-OD1 3.36Å; C275-D281 WeakPolarHBondContact CB-OD2 3.45Å; G278-D281 VanDerWaalsContact CA-OD2 3.22Å; G278-D281 WeakPolarHBondContact CA-OD2 3.12Å; G278-D281 WeakPolarHBondContact O-CB 3.36Å; G278-D281 PolarHBondContact O-N 3.1Å; G278-D281 VanDerWaalsContact O-N 3.09Å; D281-Y283 VanDerWaalsContact C-N 3.33Å; D281-Y283 PolarHBondContact O-N 3.31Å; D281-M284 PolarHBondContact O-N 3.22Å; D281-A285 WeakPolarHBondContact O-CB 3.04Å; D281-A285 PolarHBondContact O-N 2.99Å; D281-V292 HydrophobicContact CB-CB 4.24Å; D281-V292 HydrophobicContact CB-CG1 3.82Å; D281-V292 WeakPolarHBondContact OD1-CG1 3.44Å; D281-V316 HydrophobicContact CB-CG1 4.28Å; D281-F318 HydrophobicContact CB-CE1 3.99Å; D281-F318 HydrophobicContact CB-CZ 3.91Å; D281-F318 WeakPolarHBondContact OD2-CE1 3.46Å
282F96.9Very high97.4Very high22 Ų2225.1 Ų25.110%0.09613%0.133CC..Hα-helixtrans-59-47.2176.1-57.2-42.9000110.5G278 M284 A285 E286 R308 A309 L312 V316 F318G278-F282 VanDerWaalsContact C-CD2 3.47Å; G278-F282 WeakPolarHBondContact O-CD2 3.27Å; G278-F282 WeakPolarHBondContact O-CE2 3.36Å; G278-F282 WeakPolarHBondContact O-CG 3.42Å; G278-F282 PolarHBondContact O-N 3.49Å; F282-M284 PolarHBondContact O-N 3.24Å; F282-A285 PolarHBondContact O-N 2.82Å; F282-E286 VanDerWaalsContact O-CB 3.28Å; F282-E286 WeakPolarHBondContact O-CB 3.3Å; F282-E286 VanDerWaalsContact O-CG 3.25Å; F282-E286 WeakPolarHBondContact O-CG 3.47Å; F282-E286 PolarHBondContact O-N 2.94Å; F282-R308 HydrophobicContact CE2-CB 3.72Å; F282-R308 HydrophobicContact CZ-CB 3.83Å; F282-A309 HydrophobicContact CE1-CB 3.62Å; F282-A309 HydrophobicContact CZ-CB 3.89Å; F282-L312 HydrophobicContact CD1-CD1 3.47Å; F282-L312 VanDerWaalsContact CD1-CD1 3.47Å; F282-L312 HydrophobicContact CD2-CD1 4.48Å; F282-L312 HydrophobicContact CE1-CD1 3.62Å; F282-L312 HydrophobicContact CG-CD1 3.95Å; F282-L312 HydrophobicContact CZ-CD1 4.24Å; F282-V316 HydrophobicContact CD1-CG1 4.28Å; F282-V316 HydrophobicContact CD1-CG2 4.1Å; F282-V316 HydrophobicContact CE1-CG2 3.9Å; F282-F318 HydrophobicContact CD1-CZ 4.49Å; F282-F318 AromaticContact CE1-CE2 3.61Å; F282-F318 HydrophobicContact CE1-CE2 3.61Å; F282-F318 AromaticContact CE1-CZ 3.8Å; F282-F318 HydrophobicContact CE1-CZ 3.8Å; F282-F318 AromaticContact CZ-CE2 3.81Å; F282-F318 HydrophobicContact CZ-CE2 3.81Å; F282-F318 AromaticContact CZ-CZ 3.94Å; F282-F318 HydrophobicContact CZ-CZ 3.94Å
283Y98.4Very high97.2Very high24 Ų2425 Ų259%0.09413%0.132CC..Hα-helixtrans-56.8-49177.9169.4-111.3000112.2F252 T255 V259 G279 G280 D281 N287 F288F252-Y283 HydrophobicContact CD2-CD2 4.35Å; F252-Y283 AromaticContact CE2-CD2 3.56Å; F252-Y283 HydrophobicContact CE2-CD2 3.56Å; F252-Y283 AromaticContact CE2-CE2 3.66Å; F252-Y283 HydrophobicContact CE2-CE2 3.66Å; F252-Y283 HydrophobicContact CE2-CG 4.23Å; F252-Y283 HydrophobicContact CZ-CD2 4.49Å; F252-Y283 HydrophobicContact CZ-CE2 4.21Å; T255-Y283 HydrophobicContact CG2-CD1 3.71Å; T255-Y283 HydrophobicContact CG2-CE1 4.26Å; V259-Y283 HydrophobicContact CB-CD1 4.45Å; V259-Y283 HydrophobicContact CB-CE1 3.81Å; V259-Y283 HydrophobicContact CG1-CD1 4.44Å; V259-Y283 HydrophobicContact CG1-CE1 3.84Å; V259-Y283 HydrophobicContact CG2-CD1 4.16Å; V259-Y283 HydrophobicContact CG2-CE1 4Å; G279-Y283 WeakPolarHBondContact O-CB 3.22Å; G279-Y283 PolarHBondContact O-N 2.99Å; G279-Y283 VanDerWaalsContact O-N 3.12Å; G280-Y283 PolarHBondContact O-N 3.18Å; D281-Y283 VanDerWaalsContact C-N 3.33Å; D281-Y283 PolarHBondContact O-N 3.31Å; Y283-N287 HydrophobicContact CD2-CB 4.46Å; Y283-N287 WeakPolarHBondContact CD2-ND2 3.4Å; Y283-N287 HydrophobicContact CE2-CB 4.13Å; Y283-N287 WeakPolarHBondContact CE2-ND2 3.4Å; Y283-N287 WeakPolarHBondContact O-CB 3.22Å; Y283-N287 PolarHBondContact O-N 3.16Å; Y283-N287 VanDerWaalsContact O-N 3.1Å; Y283-N287 PolarHBondContact O-ND2 2.8Å; Y283-F288 HydrophobicContact CE1-CE2 4.08Å; Y283-F288 AromaticContact CZ-CE2 3.97Å
284M98.6Very high97.1Very high0 Ų024.9 Ų24.90%013%0.132CC..Hα-helixtrans-60.7-51.7178.6-73.9-172.7-69.900111.5V259 M262 L264 V270 G280 D281 F282 E286 F288 V290 V292 Y337V259-M284 HydrophobicContact CG1-CG 3.9Å; V259-M284 HydrophobicContact CG2-CG 3.77Å; V259-M284 HydrophobicContact CG2-SD 4.06Å; M262-M284 HydrophobicContact CE-SD 4.45Å; M262-M284 HydrophobicContact SD-SD 4.13Å; L264-M284 HydrophobicContact CD1-CB 4.25Å; L264-M284 HydrophobicContact CD1-CG 4.08Å; L264-M284 HydrophobicContact CD1-SD 4.25Å; V270-M284 HydrophobicContact CG1-CE 4.12Å; V270-M284 HydrophobicContact CG1-SD 4.06Å; G280-M284 WeakPolarHBondContact O-CG 3.27Å; G280-M284 PolarHBondContact O-N 3.44Å; D281-M284 PolarHBondContact O-N 3.22Å; F282-M284 PolarHBondContact O-N 3.24Å; M284-E286 PolarHBondContact O-N 3.18Å; M284-F288 WeakPolarHBondContact O-CB 3.44Å; M284-F288 PolarHBondContact O-N 3.09Å; M284-V290 HydrophobicContact CB-CG2 4.05Å; M284-V292 HydrophobicContact CB-CG2 3.94Å; M284-V292 HydrophobicContact CE-CG1 3.98Å; M284-V292 HydrophobicContact CE-CG2 4.27Å; M284-Y337 HydrophobicContact CE-CD1 3.71Å; M284-Y337 HydrophobicContact CE-CE1 3.98Å; M284-Y337 HydrophobicContact SD-CD1 4.3Å
285A96.5Very high97Very high4 Ų424.3 Ų24.33%0.03313%0.125CC..Hα-helixtrans-64.2-40.4-176.400000112.6D281 F282 D289 V292 C314 V316D281-A285 WeakPolarHBondContact O-CB 3.04Å; D281-A285 PolarHBondContact O-N 2.99Å; F282-A285 PolarHBondContact O-N 2.82Å; A285-D289 WeakPolarHBondContact O-CA 3.33Å; A285-D289 PolarHBondContact O-N 3.48Å; A285-V292 HydrophobicContact CB-CG2 4.11Å; A285-C314 HydrophobicContact CB-CB 3.73Å; A285-V316 HydrophobicContact CB-CG1 3.58Å
286E96.3Very high96.8Very high113 Ų11324.8 Ų24.853%0.52813%0.127SC..Hα-helixtrans-73.5-35.6-178.8-71.4178.8163.600113.6F282 M284 C314F282-E286 VanDerWaalsContact O-CB 3.28Å; F282-E286 WeakPolarHBondContact O-CB 3.3Å; F282-E286 VanDerWaalsContact O-CG 3.25Å; F282-E286 WeakPolarHBondContact O-CG 3.47Å; F282-E286 PolarHBondContact O-N 2.94Å; M284-E286 PolarHBondContact O-N 3.18Å; E286-C314 HydrophobicContact CG-CB 3.59Å
287N97.9Very high96.5Very high99 Ų9926 Ų2653%0.52913%0.133SC..Hα-helixtrans-95.6-21.6-172.2-70.3-94.9000113.6Y283Y283-N287 HydrophobicContact CD2-CB 4.46Å; Y283-N287 WeakPolarHBondContact CD2-ND2 3.4Å; Y283-N287 HydrophobicContact CE2-CB 4.13Å; Y283-N287 WeakPolarHBondContact CE2-ND2 3.4Å; Y283-N287 WeakPolarHBondContact O-CB 3.22Å; Y283-N287 PolarHBondContact O-N 3.16Å; Y283-N287 VanDerWaalsContact O-N 3.1Å; Y283-N287 PolarHBondContact O-ND2 2.8Å
288F98.2Very high96.1Very high53 Ų5326 Ų2623%0.23213%0.133CC..Hα-helixtrans-122.40.3-174.5-58.5-89.7000114V259 L264 P266 Y283 M284 V290V259-F288 HydrophobicContact CG1-CD2 4.04Å; V259-F288 HydrophobicContact CG1-CE2 3.43Å; V259-F288 VanDerWaalsContact CG1-CE2 3.43Å; V259-F288 HydrophobicContact CG1-CZ 3.83Å; L264-F288 HydrophobicContact CB-CB 3.75Å; L264-F288 HydrophobicContact CB-CD1 3.82Å; L264-F288 HydrophobicContact CB-CG 3.85Å; L264-F288 HydrophobicContact CD1-CB 4.04Å; L264-F288 HydrophobicContact CD1-CD2 4.01Å; L264-F288 HydrophobicContact CD1-CG 3.94Å; P266-F288 WeakPolarHBondContact CA-O 3.49Å; Y283-F288 HydrophobicContact CE1-CE2 4.08Å; Y283-F288 AromaticContact CZ-CE2 3.97Å; M284-F288 WeakPolarHBondContact O-CB 3.44Å; M284-F288 PolarHBondContact O-N 3.09Å; F288-V290 HydrophobicContact CB-CG1 4.12Å; F288-V290 HydrophobicContact CB-CG2 4.48Å; F288-V290 PolarHBondContact O-N 3.13Å
289D95.9Very high95.4Very high113 Ų11326.1 Ų26.160%0.60413%0.134SC*.  trans53.839.6-179.2-166.736.6000112.5P266 G267 A285P266-D289 WeakPolarHBondContact CA-O 3.34Å; P266-D289 HydrophobicContact CB-CB 4.05Å; P266-D289 HydrophobicContact CG-CB 4.36Å; G267-D289 PolarHBondContact N-O 3.4Å; A285-D289 WeakPolarHBondContact O-CA 3.33Å; A285-D289 PolarHBondContact O-N 3.48Å
290V97.5Very high94.7Very high2 Ų227 Ų271%0.01214%0.136CC..  trans-97.1160.1175.3-63.40000110.9L264 K265 Q268 V270 M284 F288 V292L264-V290 HydrophobicContact CB-CG1 4.04Å; L264-V290 HydrophobicContact CD1-CG1 4.34Å; L264-V290 HydrophobicContact CD1-CG2 4.23Å; L264-V290 HydrophobicContact CD2-CG1 4.35Å; L264-V290 HydrophobicContact CG-CG1 4.47Å; K265-V290 WeakPolarHBondContact O-CG1 3.25Å; Q268-V290 HydrophobicContact CB-CG1 4.03Å; Q268-V290 WeakPolarHBondContact O-CA 3.46Å; Q268-V290 WeakPolarHBondContact O-CB 3.28Å; V270-V290 HydrophobicContact CG2-CB 4.32Å; V270-V290 HydrophobicContact CG2-CG2 4.12Å; M284-V290 HydrophobicContact CB-CG2 4.05Å; F288-V290 HydrophobicContact CB-CG1 4.12Å; F288-V290 HydrophobicContact CB-CG2 4.48Å; F288-V290 PolarHBondContact O-N 3.13Å; V290-V292 HydrophobicContact CG2-CG2 3.94Å
291H95.4Very high94.3Very high46 Ų4626.8 Ų26.821%0.21313%0.134CC..EExtended strand (participates in β ladder)trans-97.4120.3168.5-179.580.7000110.4Q268 K269 V270 S315 E317Q268-H291 PolarHBondContact O-N 2.74Å; K269-H291 CarbonylContact C-O 3.6Å; K269-H291 WeakPolarHBondContact CA-O 3.06Å; K269-H291 WeakPolarHBondContact CE-CD2 3.31Å; K269-H291 HydrophobicContact CG-CB 4.44Å; V270-H291 PolarHBondContact N-O 2.67Å; H291-S315 CarbonylContact C-O 3.59Å; H291-S315 VanDerWaalsContact CA-O 3.29Å; H291-S315 WeakPolarHBondContact CA-O 3.39Å; H291-S315 PolarHBondContact ND1-OG 2.78Å; H291-E317 IonicContact NE2-OE1 3.77Å; H291-E317 PolarHBondContact NE2-OE1 3.08Å
292V97.1Very high93.8Very high0 Ų026.8 Ų26.80%013%0.134CC..EExtended strand (participates in β ladder)trans-105.8127.7-178.9-168.70000110.5V270 D272 D281 M284 A285 V290 S315 V316 E317V270-V292 HydrophobicContact CB-CG1 4.37Å; V270-V292 HydrophobicContact CB-CG2 4.36Å; V270-V292 WeakPolarHBondContact O-CA 3.27Å; D272-V292 HydrophobicContact CB-CG1 4.25Å; D281-V292 HydrophobicContact CB-CB 4.24Å; D281-V292 HydrophobicContact CB-CG1 3.82Å; D281-V292 WeakPolarHBondContact OD1-CG1 3.44Å; M284-V292 HydrophobicContact CB-CG2 3.94Å; M284-V292 HydrophobicContact CE-CG1 3.98Å; M284-V292 HydrophobicContact CE-CG2 4.27Å; A285-V292 HydrophobicContact CB-CG2 4.11Å; V290-V292 HydrophobicContact CG2-CG2 3.94Å; V292-S315 PolarHBondContact N-O 3.14Å; V292-V316 HydrophobicContact CB-CG1 4.2Å; V292-V316 CarbonylContact O-C 3.5Å; V292-V316 WeakPolarHBondContact O-CA 3.48Å; V292-E317 PolarHBondContact O-N 3.07Å
293V95.5Very high93Very high3 Ų326.4 Ų26.42%0.01813%0.134CC..EExtended strand (participates in β ladder)trans-104.8100.3172.5-175.20000107.2K269 V270 L271 D272 E317 Y328 F333K269-V293 HydrophobicContact CD-CG2 4.36Å; K269-V293 HydrophobicContact CG-CG2 4.35Å; V270-V293 PolarHBondContact O-N 2.92Å; L271-V293 CarbonylContact C-O 3.59Å; L271-V293 WeakPolarHBondContact CA-O 3.38Å; L271-V293 HydrophobicContact CD1-CB 4.27Å; L271-V293 HydrophobicContact CD1-CG1 4.14Å; L271-V293 WeakPolarHBondContact CD1-O 3.35Å; D272-V293 PolarHBondContact N-O 3.35Å; V293-E317 HydrophobicContact CB-CG 4.18Å; V293-E317 HydrophobicContact CG1-CG 4.03Å; V293-E317 HydrophobicContact CG2-CG 3.98Å; V293-E317 WeakPolarHBondContact CG2-OE1 3.41Å; V293-Y328 HydrophobicContact CG1-CE1 4.44Å; V293-F333 HydrophobicContact CB-CE1 4.05Å; V293-F333 HydrophobicContact CG2-CE1 3.89Å
294G96.7Very high92.5Very high0 Ų026.9 Ų26.90%014%0.136CC..EExtended strand (participates in β ladder)trans-92.7127.7178.900000111.4C275 E317 F318 E319C275-G294 VanDerWaalsContact SG-C 3.56Å; G294-E317 PolarHBondContact N-O 3.13Å; G294-F318 WeakPolarHBondContact O-CA 3.49Å; G294-E319 PolarHBondContact O-N 2.91Å
295I95.5Very high92.1Very high1 Ų126.9 Ų26.91%0.00514%0.136CC..EExtended strand (participates in β ladder)trans-120.1140.9170.163.5174.7000111.1L271 D272 V273 G274 C275 E319 A321 C323 Y328L271-I295 HydrophobicContact CD1-CD1 4.38Å; L271-I295 HydrophobicContact CD1-CG1 4.36Å; L271-I295 HydrophobicContact CD1-CG2 4.48Å; D272-I295 PolarHBondContact O-N 3.23Å; V273-I295 HydrophobicContact CG2-CD1 4.42Å; G274-I295 VanDerWaalsContact CA-O 3.31Å; G274-I295 WeakPolarHBondContact CA-O 3.49Å; G274-I295 PolarHBondContact N-O 3.31Å; C275-I295 PolarHBondContact N-O 3.07Å; I295-E319 WeakPolarHBondContact CA-O 3.26Å; I295-E319 HydrophobicContact CG2-CB 4.29Å; I295-A321 HydrophobicContact CB-CB 4.24Å; I295-A321 HydrophobicContact CG2-CB 4.22Å; I295-C323 HydrophobicContact CD1-CB 3.83Å; I295-Y328 VanDerWaalsContact CG2-OH 3.23Å; I295-Y328 WeakPolarHBondContact CG2-OH 3.22Å
296D93.4Very high91.4Very high20 Ų2026.9 Ų26.911%0.10714%0.136CC..EExtended strand (participates in β ladder)trans-144.7146.3171.1-158.4-68.1000109.3G276 S298 M301 I302 E319 V320 A321G276-D296 WeakPolarHBondContact CA-OD2 3.35Å; G276-D296 PolarHBondContact N-OD2 2.78Å; D296-S298 WeakPolarHBondContact OD1-CB 3.35Å; D296-S298 PolarHBondContact OD1-N 2.95Å; D296-M301 HydrophobicContact CB-CB 4.26Å; D296-I302 HydrophobicContact CB-CD1 3.59Å; D296-I302 HydrophobicContact CB-CG1 3.87Å; D296-E319 PolarHBondContact N-O 2.8Å; D296-V320 CarbonylContact O-C 3.59Å; D296-V320 VanDerWaalsContact O-CA 3.27Å; D296-V320 WeakPolarHBondContact O-CA 3.32Å; D296-A321 CarbonylContact C-O 3.59Å; D296-A321 PolarHBondContact O-N 3.08Å
297L90Very high90.7Very high29 Ų2924.9 Ų24.915%0.15213%0.126CC..SBendtrans-76.8-28.2177.6-175.957.8000111.3F221 Q222 L225 V299 A321 D322F221-L297 HydrophobicContact CD1-CD2 3.55Å; F221-L297 HydrophobicContact CE1-CD2 3.89Å; Q222-L297 HydrophobicContact CB-CD1 4.33Å; Q222-L297 HydrophobicContact CB-CD2 4.4Å; Q222-L297 HydrophobicContact CB-CG 4.18Å; Q222-L297 HydrophobicContact CG-CD1 4.28Å; Q222-L297 HydrophobicContact CG-CG 4.17Å; Q222-L297 PolarHBondContact NE2-O 3.16Å; L225-L297 HydrophobicContact CD1-CB 4.07Å; L225-L297 HydrophobicContact CD1-CD2 3.93Å; L225-L297 HydrophobicContact CD1-CG 4.17Å; L297-V299 PolarHBondContact O-N 3.39Å; L297-A321 PolarHBondContact N-O 3.27Å; L297-D322 HydrophobicContact CD1-CB 3.84Å
298S87.5Confident90.2Very high0 Ų023.6 Ų23.60%011%0.114CC..  trans-74.6123.8-179.2172.20000111.1D226 D296 N300 M301 I302D226-S298 WeakPolarHBondContact OD1-CA 3.18Å; D226-S298 WeakPolarHBondContact OD1-CB 3.38Å; D226-S298 PolarHBondContact OD1-OG 3.4Å; D296-S298 WeakPolarHBondContact OD1-CB 3.35Å; D296-S298 PolarHBondContact OD1-N 2.95Å; S298-N300 VanDerWaalsContact C-N 3.26Å; S298-N300 PolarHBondContact O-N 3.39Å; S298-N300 PolarHBondContact OG-N 3.15Å; S298-M301 PolarHBondContact O-N 3.46Å; S298-M301 PolarHBondContact OG-N 2.79Å; S298-I302 PolarHBondContact O-N 3.44Å
299V80.7Confident89.6Confident2 Ų221.1 Ų21.11%0.01210%0.103CC..Hα-helixtrans-63.8-37.4174169.80000110.8T167 M187 D226 L297 S303 V320T167-V299 HydrophobicContact CG2-CG1 3.11Å; M187-V299 HydrophobicContact CB-CG2 4.04Å; M187-V299 HydrophobicContact CE-CB 4.15Å; M187-V299 HydrophobicContact CE-CG1 3.33Å; M187-V299 HydrophobicContact CE-CG2 3.69Å; M187-V299 HydrophobicContact SD-CG1 4.21Å; M187-V299 HydrophobicContact SD-CG2 3.86Å; D226-V299 PolarHBondContact OD1-N 2.99Å; D226-V299 WeakPolarHBondContact OD2-CB 3.24Å; D226-V299 PolarHBondContact OD2-N 3.45Å; L297-V299 PolarHBondContact O-N 3.39Å; V299-S303 WeakPolarHBondContact O-CB 3.28Å; V299-S303 PolarHBondContact O-N 3.39Å; V299-S303 PolarHBondContact O-OG 3.26Å; V299-V320 HydrophobicContact CG2-CG1 4.07Å; V299-V320 HydrophobicContact CG2-CG2 4.44Å
300N83.4Confident88.5Confident27 Ų2718.1 Ų18.114%0.1449%0.087CC..Hα-helixtrans-64.8-44.7178.8-67.3-30.5000111.2D226 Y230 I235 S298 S303 F304D226-N300 PolarHBondContact O-ND2 3.17Å; Y230-N300 PolarHBondContact O-ND2 2.72Å; I235-N300 HydrophobicContact CD1-CB 3.51Å; S298-N300 VanDerWaalsContact C-N 3.26Å; S298-N300 PolarHBondContact O-N 3.39Å; S298-N300 PolarHBondContact OG-N 3.15Å; N300-S303 PolarHBondContact O-N 3.24Å; N300-F304 WeakPolarHBondContact O-CD2 3.45Å; N300-F304 PolarHBondContact O-N 3.06Å; N300-F304 VanDerWaalsContact O-N 3.15Å
301M90.5Very high87.3Confident4 Ų420.2 Ų20.22%0.0211%0.109CC..Hα-helixtrans-57.9-54.9178.1-73.3-63.7-169.100111.8Y230 I235 V247 G276 I277 D296 S298 S303 F304 A305Y230-M301 HydrophobicContact CD1-CE 3.41Å; Y230-M301 VanDerWaalsContact CD1-CE 3.41Å; Y230-M301 HydrophobicContact CE1-CE 3.84Å; Y230-M301 HydrophobicContact CG-CE 3.8Å; I235-M301 HydrophobicContact CD1-CE 4.13Å; I235-M301 HydrophobicContact CD1-CG 4.05Å; I235-M301 HydrophobicContact CD1-SD 3.69Å; I235-M301 HydrophobicContact CG1-CE 3.8Å; I235-M301 HydrophobicContact CG1-SD 3.87Å; I235-M301 HydrophobicContact CG2-SD 4.06Å; V247-M301 HydrophobicContact CB-CE 4.22Å; V247-M301 HydrophobicContact CG1-CE 4.14Å; V247-M301 HydrophobicContact CG1-SD 4.39Å; V247-M301 HydrophobicContact CG2-CE 3.84Å; V247-M301 HydrophobicContact CG2-SD 4.31Å; G276-M301 CarbonylContact O-C 3.57Å; G276-M301 WeakPolarHBondContact O-CB 3.28Å; I277-M301 HydrophobicContact CG2-SD 3.6Å; D296-M301 HydrophobicContact CB-CB 4.26Å; S298-M301 PolarHBondContact O-N 3.46Å; S298-M301 PolarHBondContact OG-N 2.79Å; M301-S303 VanDerWaalsContact C-N 3.27Å; M301-S303 PolarHBondContact O-N 2.98Å; M301-F304 PolarHBondContact O-N 2.81Å; M301-F304 VanDerWaalsContact O-N 3.12Å; M301-A305 PolarHBondContact O-N 3.4Å
302I87.6Confident86.6Confident1 Ų120.4 Ų20.41%0.00511%0.111CC..Hα-helixtrans-63.8-34-179.6-62.7-59.5000111.9C275 D296 S298 F304 A305 L306 F318 V320C275-I302 VanDerWaalsContact SG-CD1 3.51Å; D296-I302 HydrophobicContact CB-CD1 3.59Å; D296-I302 HydrophobicContact CB-CG1 3.87Å; S298-I302 PolarHBondContact O-N 3.44Å; I302-F304 VanDerWaalsContact C-N 3.34Å; I302-F304 PolarHBondContact O-N 3.36Å; I302-A305 PolarHBondContact O-N 2.86Å; I302-L306 HydrophobicContact CG2-CD1 3.72Å; I302-L306 HydrophobicContact CG2-CG 3.98Å; I302-L306 WeakPolarHBondContact O-CB 3.38Å; I302-L306 VanDerWaalsContact O-CG 3.27Å; I302-L306 WeakPolarHBondContact O-CG 3.5Å; I302-L306 PolarHBondContact O-N 2.98Å; I302-F318 HydrophobicContact CD1-CB 4.23Å; I302-F318 HydrophobicContact CG2-CB 4.17Å; I302-V320 HydrophobicContact CB-CG2 3.54Å; I302-V320 HydrophobicContact CG1-CB 4.41Å; I302-V320 HydrophobicContact CG1-CG2 3.63Å; I302-V320 HydrophobicContact CG2-CG2 3.74Å
303S80.2Confident85.8Confident14 Ų1427.9 Ų27.910%0.09814%0.144CC..Hα-helixtrans-60.8-43.6175.2-62.40000111.7V299 N300 M301 E307V299-S303 WeakPolarHBondContact O-CB 3.28Å; V299-S303 PolarHBondContact O-N 3.39Å; V299-S303 PolarHBondContact O-OG 3.26Å; N300-S303 PolarHBondContact O-N 3.24Å; M301-S303 VanDerWaalsContact C-N 3.27Å; M301-S303 PolarHBondContact O-N 2.98Å; S303-E307 WeakPolarHBondContact O-CB 3.39Å; S303-E307 PolarHBondContact O-N 2.91Å; S303-E307 VanDerWaalsContact O-N 3.11Å
304F87.6Confident85.3Confident33 Ų3328.6 Ų28.615%0.14515%0.149CC..Hα-helixtrans-65.8-43.3173.6-78.8-66.8000112.4I235 L236 I277 N300 M301 I302 E307 R308I235-F304 HydrophobicContact CB-CE2 4.18Å; I235-F304 HydrophobicContact CD1-CD2 4.15Å; I235-F304 HydrophobicContact CD1-CE2 4.13Å; I235-F304 HydrophobicContact CG2-CD2 3.91Å; I235-F304 HydrophobicContact CG2-CE2 3.97Å; L236-F304 HydrophobicContact CD1-CZ 4.11Å; L236-F304 HydrophobicContact CD2-CE1 3.78Å; L236-F304 HydrophobicContact CD2-CZ 3.83Å; L236-F304 HydrophobicContact CG-CE1 4.29Å; L236-F304 HydrophobicContact CG-CZ 3.84Å; I277-F304 HydrophobicContact CB-CB 4.01Å; I277-F304 HydrophobicContact CG2-CB 3.67Å; I277-F304 HydrophobicContact CG2-CD2 4.18Å; I277-F304 HydrophobicContact CG2-CG 4.19Å; N300-F304 WeakPolarHBondContact O-CD2 3.45Å; N300-F304 PolarHBondContact O-N 3.06Å; N300-F304 VanDerWaalsContact O-N 3.15Å; M301-F304 PolarHBondContact O-N 2.81Å; M301-F304 VanDerWaalsContact O-N 3.12Å; I302-F304 VanDerWaalsContact C-N 3.34Å; I302-F304 PolarHBondContact O-N 3.36Å; F304-E307 PolarHBondContact O-N 3.1Å; F304-R308 WeakPolarHBondContact O-CD 3.37Å; F304-R308 VanDerWaalsContact O-CG 3.29Å; F304-R308 WeakPolarHBondContact O-CG 3.4Å; F304-R308 PolarHBondContact O-N 2.99Å
305A90.1Very high85Confident0 Ų031 Ų310%017%0.166CC..Hα-helixtrans-60.6-47.3179.200000111.5M301 I302 E307 R308 A309 F318M301-A305 PolarHBondContact O-N 3.4Å; I302-A305 PolarHBondContact O-N 2.86Å; A305-E307 VanDerWaalsContact C-N 3.32Å; A305-E307 PolarHBondContact O-N 2.79Å; A305-R308 PolarHBondContact O-N 3.05Å; A305-A309 VanDerWaalsContact O-CB 3.27Å; A305-A309 WeakPolarHBondContact O-CB 3.38Å; A305-A309 PolarHBondContact O-N 3.38Å; A305-F318 HydrophobicContact CB-CB 4.5Å; A305-F318 HydrophobicContact CB-CD1 3.81Å; A305-F318 HydrophobicContact CB-CD2 3.81Å; A305-F318 HydrophobicContact CB-CE1 3.89Å; A305-F318 HydrophobicContact CB-CE2 3.9Å; A305-F318 HydrophobicContact CB-CG 3.77Å; A305-F318 HydrophobicContact CB-CZ 3.93Å
306L82.2Confident84.8Confident5 Ų531.1 Ų31.13%0.02617%0.166CC..Hα-helixtrans-61.2-38.9176-72.2171.1000112.4I302 F318I302-L306 HydrophobicContact CG2-CD1 3.72Å; I302-L306 HydrophobicContact CG2-CG 3.98Å; I302-L306 WeakPolarHBondContact O-CB 3.38Å; I302-L306 VanDerWaalsContact O-CG 3.27Å; I302-L306 WeakPolarHBondContact O-CG 3.5Å; I302-L306 PolarHBondContact O-N 2.98Å; L306-F318 HydrophobicContact CD2-CB 3.94Å; L306-F318 HydrophobicContact CD2-CD2 4.46Å; L306-F318 HydrophobicContact CG-CB 4.2Å
307E81.9Confident84.6Confident71 Ų7132.5 Ų32.533%0.33217%0.172SC..Hα-helixtrans-67.4-40.6177.1-173.2178.7170.800112.1F145 S303 F304 A305 A309 I310F145-E307 HydrophobicContact CE1-CG 4.34Å; S303-E307 WeakPolarHBondContact O-CB 3.39Å; S303-E307 PolarHBondContact O-N 2.91Å; S303-E307 VanDerWaalsContact O-N 3.11Å; F304-E307 PolarHBondContact O-N 3.1Å; A305-E307 VanDerWaalsContact C-N 3.32Å; A305-E307 PolarHBondContact O-N 2.79Å; E307-A309 VanDerWaalsContact C-N 3.3Å; E307-A309 PolarHBondContact O-N 3.43Å; E307-I310 HydrophobicContact CG-CD1 4.13Å; E307-I310 WeakPolarHBondContact O-CB 3.16Å; E307-I310 WeakPolarHBondContact O-CD1 3.37Å; E307-I310 WeakPolarHBondContact O-CG1 3.41Å; E307-I310 PolarHBondContact O-N 3.01Å
308R88.1Confident84.5Confident72 Ų7231.2 Ų31.227%0.27217%0.165SC..Hα-helixtrans-74.9-24.5179.5-69.2163.8-177.1-147.9-4.4113.2E239 F282 F304 A305 I310E239-R308 IonicContact OE1-CZ 2.93Å; E239-R308 IonicContact OE1-NH1 2.74Å; E239-R308 PolarHBondContact OE1-NH1 3.07Å; E239-R308 IonicContact OE1-NH2 3.75Å; E239-R308 PolarHBondContact OE1-NH2 2.98Å; E239-R308 IonicContact OE2-CZ 2.74Å; E239-R308 IonicContact OE2-NH1 3.2Å; E239-R308 IonicContact OE2-NH2 2.65Å; E239-R308 PolarHBondContact OE2-NH2 3.25Å; F282-R308 HydrophobicContact CE2-CB 3.72Å; F282-R308 HydrophobicContact CZ-CB 3.83Å; F304-R308 WeakPolarHBondContact O-CD 3.37Å; F304-R308 VanDerWaalsContact O-CG 3.29Å; F304-R308 WeakPolarHBondContact O-CG 3.4Å; F304-R308 PolarHBondContact O-N 2.99Å; A305-R308 PolarHBondContact O-N 3.05Å; R308-I310 PolarHBondContact O-N 3.34Å
309A84Confident84.5Confident1 Ų133 Ų331%0.00817%0.173CC..THydrogen-bonded Turntrans-74.9-12.2177.800000113.2Q203 F282 A305 E307 G311 L312 V316 F318Q203-A309 PolarHBondContact OE1-O 2.91Å; F282-A309 HydrophobicContact CE1-CB 3.62Å; F282-A309 HydrophobicContact CZ-CB 3.89Å; A305-A309 VanDerWaalsContact O-CB 3.27Å; A305-A309 WeakPolarHBondContact O-CB 3.38Å; A305-A309 PolarHBondContact O-N 3.38Å; E307-A309 VanDerWaalsContact C-N 3.3Å; E307-A309 PolarHBondContact O-N 3.43Å; A309-G311 PolarHBondContact O-N 2.73Å; A309-L312 WeakPolarHBondContact O-CB 3.33Å; A309-L312 PolarHBondContact O-N 3.31Å; A309-V316 HydrophobicContact CB-CG2 4.28Å; A309-F318 HydrophobicContact CB-CD2 4.32Å; A309-F318 HydrophobicContact CB-CE2 3.95Å
310I73.7Confident84.8Confident49 Ų4933 Ų3325%0.25117%0.174SC..THydrogen-bonded Turntrans-57.9130.7179.2-55.7160.5000110.6F145 E307 R308 L312F145-I310 HydrophobicContact CD1-CD1 3.35Å; F145-I310 HydrophobicContact CD1-CG1 4.31Å; F145-I310 HydrophobicContact CD2-CD1 3.61Å; F145-I310 HydrophobicContact CD2-CG1 3.63Å; F145-I310 HydrophobicContact CD2-CG2 4.39Å; F145-I310 HydrophobicContact CE1-CD1 3.08Å; F145-I310 HydrophobicContact CE1-CG1 4.02Å; F145-I310 HydrophobicContact CE2-CD1 3.38Å; F145-I310 HydrophobicContact CE2-CG1 3.3Å; F145-I310 HydrophobicContact CG-CD1 3.58Å; F145-I310 HydrophobicContact CG-CG1 4.11Å; F145-I310 HydrophobicContact CZ-CD1 3.07Å; F145-I310 HydrophobicContact CZ-CG1 3.49Å; F145-I310 VanDerWaalsContact CZ-CG1 3.49Å; E307-I310 HydrophobicContact CG-CD1 4.13Å; E307-I310 WeakPolarHBondContact O-CB 3.16Å; E307-I310 WeakPolarHBondContact O-CD1 3.37Å; E307-I310 WeakPolarHBondContact O-CG1 3.41Å; E307-I310 PolarHBondContact O-N 3.01Å; R308-I310 PolarHBondContact O-N 3.34Å; I310-L312 PolarHBondContact O-N 2.93Å; I310-L312 VanDerWaalsContact O-N 3.1Å
311G72.7Confident85Confident46 Ų4632.2 Ų32.247%0.47417%0.171SC..THydrogen-bonded Turntrans77.6-13.5174.900000113.9A309A309-G311 PolarHBondContact O-N 2.73Å
312L80.7Confident84.9Confident50 Ų5034.3 Ų34.326%0.26218%0.182SC..  trans-63.4146.1172.3-58.7-172.5000110.3F282 A309 I310F282-L312 HydrophobicContact CD1-CD1 3.47Å; F282-L312 VanDerWaalsContact CD1-CD1 3.47Å; F282-L312 HydrophobicContact CD2-CD1 4.48Å; F282-L312 HydrophobicContact CE1-CD1 3.62Å; F282-L312 HydrophobicContact CG-CD1 3.95Å; F282-L312 HydrophobicContact CZ-CD1 4.24Å; A309-L312 WeakPolarHBondContact O-CB 3.33Å; A309-L312 PolarHBondContact O-N 3.31Å; I310-L312 PolarHBondContact O-N 2.93Å; I310-L312 VanDerWaalsContact O-N 3.1Å
313K80.1Confident85.2Confident158 Ų15834.8 Ų34.869%0.68719%0.185SC*.  trans-102.8-7.8178.2-58.2-60.2170.6-168.70112.5K201K201-K313 HydrophobicContact CB-CD 4.31Å; K201-K313 PolarHBondContact O-NZ 2.88Å
314C85.6Confident85.7Confident18 Ų1837.7 Ų37.712%0.12220%0.203CC..SBendtrans-68.3156.9175.865.60000111.1A285 E286 V316A285-C314 HydrophobicContact CB-CB 3.73Å; E286-C314 HydrophobicContact CG-CB 3.59Å; C314-V316 PolarHBondContact O-N 3.34Å
315S89.9Confident85.8Confident51 Ų5141 Ų4136%0.35723%0.225SC..EExtended strand (participates in β ladder)trans-93.385.7-172.6-153.20000110.6H291 V292H291-S315 CarbonylContact C-O 3.59Å; H291-S315 VanDerWaalsContact CA-O 3.29Å; H291-S315 WeakPolarHBondContact CA-O 3.39Å; H291-S315 PolarHBondContact ND1-OG 2.78Å; V292-S315 PolarHBondContact N-O 3.14Å
316V91.1Very high85.7Confident2 Ų243.4 Ų43.41%0.01224%0.236CC..EExtended strand (participates in β ladder)trans-125.3147.3176.6-59.50000111.1Q203 D281 F282 A285 V292 A309 C314 F318Q203-V316 PolarHBondContact NE2-O 3.39Å; D281-V316 HydrophobicContact CB-CG1 4.28Å; F282-V316 HydrophobicContact CD1-CG1 4.28Å; F282-V316 HydrophobicContact CD1-CG2 4.1Å; F282-V316 HydrophobicContact CE1-CG2 3.9Å; A285-V316 HydrophobicContact CB-CG1 3.58Å; V292-V316 HydrophobicContact CB-CG1 4.2Å; V292-V316 CarbonylContact O-C 3.5Å; V292-V316 WeakPolarHBondContact O-CA 3.48Å; A309-V316 HydrophobicContact CB-CG2 4.28Å; C314-V316 PolarHBondContact O-N 3.34Å; V316-F318 HydrophobicContact CB-CE2 4.27Å; V316-F318 HydrophobicContact CB-CZ 4.41Å; V316-F318 HydrophobicContact CG2-CE2 3.92Å; V316-F318 HydrophobicContact CG2-CZ 4.44Å
317E88.2Confident86.1Confident50 Ų5048.7 Ų48.723%0.23427%0.268CS..EExtended strand (participates in β ladder)trans-133.6141.9166.464.3-179.6171.500109.8H291 V292 V293 G294H291-E317 IonicContact NE2-OE1 3.77Å; H291-E317 PolarHBondContact NE2-OE1 3.08Å; V292-E317 PolarHBondContact O-N 3.07Å; V293-E317 HydrophobicContact CB-CG 4.18Å; V293-E317 HydrophobicContact CG1-CG 4.03Å; V293-E317 HydrophobicContact CG2-CG 3.98Å; V293-E317 WeakPolarHBondContact CG2-OE1 3.41Å; G294-E317 PolarHBondContact N-O 3.13Å
318F88Confident86.7Confident2 Ų247 Ų471%0.00926%0.26CS..EExtended strand (participates in β ladder)trans-122.3138-179.5-66-67.9000110.4C275 D281 F282 G294 I302 A305 L306 A309 V316C275-F318 HydrophobicContact CB-CD1 4.49Å; C275-F318 HydrophobicContact CB-CE1 4.29Å; D281-F318 HydrophobicContact CB-CE1 3.99Å; D281-F318 HydrophobicContact CB-CZ 3.91Å; D281-F318 WeakPolarHBondContact OD2-CE1 3.46Å; F282-F318 HydrophobicContact CD1-CZ 4.49Å; F282-F318 AromaticContact CE1-CE2 3.61Å; F282-F318 HydrophobicContact CE1-CE2 3.61Å; F282-F318 AromaticContact CE1-CZ 3.8Å; F282-F318 HydrophobicContact CE1-CZ 3.8Å; F282-F318 AromaticContact CZ-CE2 3.81Å; F282-F318 HydrophobicContact CZ-CE2 3.81Å; F282-F318 AromaticContact CZ-CZ 3.94Å; F282-F318 HydrophobicContact CZ-CZ 3.94Å; G294-F318 WeakPolarHBondContact O-CA 3.49Å; I302-F318 HydrophobicContact CD1-CB 4.23Å; I302-F318 HydrophobicContact CG2-CB 4.17Å; A305-F318 HydrophobicContact CB-CB 4.5Å; A305-F318 HydrophobicContact CB-CD1 3.81Å; A305-F318 HydrophobicContact CB-CD2 3.81Å; A305-F318 HydrophobicContact CB-CE1 3.89Å; A305-F318 HydrophobicContact CB-CE2 3.9Å; A305-F318 HydrophobicContact CB-CG 3.77Å; A305-F318 HydrophobicContact CB-CZ 3.93Å; L306-F318 HydrophobicContact CD2-CB 3.94Å; L306-F318 HydrophobicContact CD2-CD2 4.46Å; L306-F318 HydrophobicContact CG-CB 4.2Å; A309-F318 HydrophobicContact CB-CD2 4.32Å; A309-F318 HydrophobicContact CB-CE2 3.95Å; V316-F318 HydrophobicContact CB-CE2 4.27Å; V316-F318 HydrophobicContact CB-CZ 4.41Å; V316-F318 HydrophobicContact CG2-CE2 3.92Å; V316-F318 HydrophobicContact CG2-CZ 4.44Å
319E87.9Confident87.1Confident37 Ų3748 Ų4817%0.17328%0.275CS..EExtended strand (participates in β ladder)trans-138.3133.7178.1-174.6-178173.100111.8C190 G294 I295 D296 A321 K326C190-E319 WeakPolarHBondContact O-CA 3.48Å; G294-E319 PolarHBondContact O-N 2.91Å; I295-E319 WeakPolarHBondContact CA-O 3.26Å; I295-E319 HydrophobicContact CG2-CB 4.29Å; D296-E319 PolarHBondContact N-O 2.8Å; E319-A321 HydrophobicContact CG-CB 4.26Å; E319-A321 PolarHBondContact O-N 2.68Å; E319-K326 IonicContact OE1-NZ 3.87Å; E319-K326 PolarHBondContact OE1-NZ 3.28Å; E319-K326 WeakPolarHBondContact OE2-CE 3.34Å; E319-K326 IonicContact OE2-NZ 3.53Å; E319-K326 PolarHBondContact OE2-NZ 2.94Å
320V86.5Confident87.8Confident3 Ų352.1 Ų52.12%0.01830%0.297CS..EExtended strand (participates in β ladder)trans-71109.8164.5178.40000108.7M187 C190 D296 V299 I302M187-V320 HydrophobicContact SD-CB 3.97Å; M187-V320 HydrophobicContact SD-CG1 4.18Å; M187-V320 HydrophobicContact SD-CG2 3.66Å; C190-V320 HydrophobicContact CB-CG2 4.16Å; D296-V320 CarbonylContact O-C 3.59Å; D296-V320 VanDerWaalsContact O-CA 3.27Å; D296-V320 WeakPolarHBondContact O-CA 3.32Å; V299-V320 HydrophobicContact CG2-CG1 4.07Å; V299-V320 HydrophobicContact CG2-CG2 4.44Å; I302-V320 HydrophobicContact CB-CG2 3.54Å; I302-V320 HydrophobicContact CG1-CB 4.41Å; I302-V320 HydrophobicContact CG1-CG2 3.63Å; I302-V320 HydrophobicContact CG2-CG2 3.74Å
321A87.5Confident89Confident10 Ų1053.4 Ų53.48%0.08330%0.304CS..  trans-154.4144.6-179.200000112.8I295 D296 L297 E319 K326I295-A321 HydrophobicContact CB-CB 4.24Å; I295-A321 HydrophobicContact CG2-CB 4.22Å; D296-A321 CarbonylContact C-O 3.59Å; D296-A321 PolarHBondContact O-N 3.08Å; L297-A321 PolarHBondContact N-O 3.27Å; E319-A321 HydrophobicContact CG-CB 4.26Å; E319-A321 PolarHBondContact O-N 2.68Å; A321-K326 HydrophobicContact CB-CB 4.42Å; A321-K326 HydrophobicContact CB-CD 4.15Å; A321-K326 HydrophobicContact CB-CG 4.35Å
322D88.4Confident90.2Very high47 Ų4752.5 Ų52.525%0.25129%0.291SS..  trans-82.5115.9168.2-176.2-17000109.9L297 T324 T325 K326L297-D322 HydrophobicContact CD1-CB 3.84Å; D322-T324 PolarHBondContact O-N 2.94Å; D322-T324 VanDerWaalsContact O-N 3.11Å; D322-T324 WeakPolarHBondContact OD1-CB 3.32Å; D322-T324 WeakPolarHBondContact OD1-CG2 3.32Å; D322-T324 PolarHBondContact OD1-N 3.29Å; D322-T324 PolarHBondContact OD1-OG1 3Å; D322-T324 PolarHBondContact OD2-OG1 3.14Å; D322-T325 PolarHBondContact O-N 3.24Å; D322-T325 VanDerWaalsContact O-N 3.11Å; D322-T325 PolarHBondContact O-OG1 2.85Å; D322-K326 VanDerWaalsContact O-CB 3.26Å; D322-K326 WeakPolarHBondContact O-CB 3.15Å; D322-K326 PolarHBondContact O-N 2.96Å
323C94.1Very high91.1Very high12 Ų1250.2 Ų50.28%0.08128%0.279CS..THydrogen-bonded Turntrans-61.5-18.6-179.970.20000114.3V273 I295 L351V273-C323 HydrophobicContact CG1-CB 3.49Å; V273-C323 VanDerWaalsContact CG1-CB 3.49Å; I295-C323 HydrophobicContact CD1-CB 3.83Å; C323-L351 HydrophobicContact CB-CD1 4.32Å
324T92.4Very high92Very high75 Ų7544.1 Ų44.146%0.4625%0.254SS..THydrogen-bonded Turntrans-82.6-18.8178.671.40000113.3D322 I345D322-T324 PolarHBondContact O-N 2.94Å; D322-T324 VanDerWaalsContact O-N 3.11Å; D322-T324 WeakPolarHBondContact OD1-CB 3.32Å; D322-T324 WeakPolarHBondContact OD1-CG2 3.32Å; D322-T324 PolarHBondContact OD1-N 3.29Å; D322-T324 PolarHBondContact OD1-OG1 3Å; D322-T324 PolarHBondContact OD2-OG1 3.14Å; T324-I345 HydrophobicContact CG2-CD1 3.83Å; T324-I345 HydrophobicContact CG2-CG2 3.77Å
325T88.2Confident92.6Very high101 Ų10143.4 Ų43.462%0.6225%0.249SC*.THydrogen-bonded Turntrans-120.2-22.7-17864.20000113.7D322D322-T325 PolarHBondContact O-N 3.24Å; D322-T325 VanDerWaalsContact O-N 3.11Å; D322-T325 PolarHBondContact O-OG1 2.85Å
326K89.2Confident93Very high51 Ų5141 Ų4122%0.22223%0.232CC..  trans-55.8146.1174.9-175.661.2172.2-172.90110.1E319 A321 D322 Y328 W358E319-K326 IonicContact OE1-NZ 3.87Å; E319-K326 PolarHBondContact OE1-NZ 3.28Å; E319-K326 WeakPolarHBondContact OE2-CE 3.34Å; E319-K326 IonicContact OE2-NZ 3.53Å; E319-K326 PolarHBondContact OE2-NZ 2.94Å; A321-K326 HydrophobicContact CB-CB 4.42Å; A321-K326 HydrophobicContact CB-CD 4.15Å; A321-K326 HydrophobicContact CB-CG 4.35Å; D322-K326 VanDerWaalsContact O-CB 3.26Å; D322-K326 WeakPolarHBondContact O-CB 3.15Å; D322-K326 PolarHBondContact O-N 2.96Å; K326-Y328 HydrophobicContact CD-CE2 4.5Å; K326-Y328 WeakPolarHBondContact CE-OH 3.23Å; K326-Y328 HydrophobicContact CG-CD2 4.17Å; K326-Y328 HydrophobicContact CG-CE2 3.55Å; K326-W358 HydrophobicContact CB-CH2 4.47Å; K326-W358 WeakPolarHBondContact O-CH2 3.31Å; K326-W358 WeakPolarHBondContact O-CZ2 3.41Å
327T90.6Very high93.4Very high116 Ų11641 Ų4171%0.71223%0.231SC*.  trans-122.6130.6175.960.40000110.7
328Y94.9Very high93.9Very high37 Ų3738.6 Ų38.615%0.14522%0.22CC..  trans-118.2155.3164.4-65.6-77.4000110.3L271 V293 I295 K326 F333 W358L271-Y328 HydrophobicContact CD1-CE2 3.93Å; L271-Y328 HydrophobicContact CD2-CE2 4.39Å; V293-Y328 HydrophobicContact CG1-CE1 4.44Å; I295-Y328 VanDerWaalsContact CG2-OH 3.23Å; I295-Y328 WeakPolarHBondContact CG2-OH 3.22Å; K326-Y328 HydrophobicContact CD-CE2 4.5Å; K326-Y328 WeakPolarHBondContact CE-OH 3.23Å; K326-Y328 HydrophobicContact CG-CD2 4.17Å; K326-Y328 HydrophobicContact CG-CE2 3.55Å; Y328-F333 HydrophobicContact CD1-CE2 4.14Å; Y328-F333 AromaticContact CD1-CZ 3.73Å; Y328-F333 HydrophobicContact CD1-CZ 3.73Å; Y328-F333 AromaticContact CD2-CE2 3.84Å; Y328-F333 HydrophobicContact CD2-CE2 3.84Å; Y328-F333 HydrophobicContact CD2-CZ 4.03Å; Y328-F333 AromaticContact CE1-CZ 3.94Å; Y328-F333 HydrophobicContact CE1-CZ 3.94Å; Y328-F333 HydrophobicContact CE2-CE2 4.39Å; Y328-F333 HydrophobicContact CE2-CZ 4.23Å; Y328-F333 AromaticContact CG-CE2 3.7Å; Y328-F333 HydrophobicContact CG-CE2 3.7Å; Y328-F333 AromaticContact CG-CZ 3.77Å; Y328-F333 HydrophobicContact CG-CZ 3.77Å; Y328-W358 AromaticContact CD2-CD2 3.89Å; Y328-W358 HydrophobicContact CD2-CD2 3.89Å; Y328-W358 AromaticContact CD2-CE2 3.89Å; Y328-W358 AromaticContact CD2-CE3 3.77Å; Y328-W358 HydrophobicContact CD2-CE3 3.77Å; Y328-W358 AromaticContact CD2-CH2 3.74Å; Y328-W358 HydrophobicContact CD2-CH2 3.74Å; Y328-W358 AromaticContact CD2-CZ2 3.84Å; Y328-W358 HydrophobicContact CD2-CZ2 3.84Å; Y328-W358 AromaticContact CD2-CZ3 3.7Å; Y328-W358 HydrophobicContact CD2-CZ3 3.7Å; Y328-W358 HydrophobicContact CE2-CE3 4.49Å; Y328-W358 HydrophobicContact CE2-CH2 4.22Å; Y328-W358 HydrophobicContact CE2-CZ3 4.1Å; Y328-W358 HydrophobicContact CG-CD2 4.46Å; Y328-W358 PolarHBondContact O-NE1 2.78Å; Y328-W358 VanDerWaalsContact O-NE1 3.16Å
329P96.4Very high94.4Very high93 Ų9339.2 Ų39.260%0.60422%0.223SC*.  trans-57.2150.1169.1-22.432.9000111.8S332P329-S332 WeakPolarHBondContact CD-OG 3.29Å; P329-S332 WeakPolarHBondContact O-CB 3.43Å; P329-S332 PolarHBondContact O-OG 3.26Å
330D98.2Very high94.9Very high86 Ų8638.2 Ų38.246%0.4622%0.218SC..THydrogen-bonded Turntrans-59.4143.2172.3-67.312.2000110.1S332 K357D330-S332 PolarHBondContact O-N 3.12Å; D330-K357 CarbonylContact C-O 3.54Å; D330-K357 WeakPolarHBondContact CA-O 3.43Å; D330-K357 VanDerWaalsContact CG-CE 3.49Å; D330-K357 WeakPolarHBondContact OD1-CE 3.36Å; D330-K357 IonicContact OD1-NZ 2.68Å; D330-K357 WeakPolarHBondContact OD2-CE 3.43Å; D330-K357 IonicContact OD2-NZ 3.33Å
331N98.4Very high95.5Very high76 Ų7639.1 Ų39.141%0.40622%0.224SC..THydrogen-bonded Turntrans59.640.4179.6-41.3-62000114.3K357 W358 L359 K360 P361 K474N331-K357 PolarHBondContact N-O 3.46Å; N331-W358 CarbonylContact C-O 3.48Å; N331-W358 WeakPolarHBondContact CA-O 3.37Å; N331-W358 PolarHBondContact N-O 3.11Å; N331-L359 PolarHBondContact OD1-O 3.18Å; N331-K360 HydrophobicContact CB-CG 4.08Å; N331-K360 WeakPolarHBondContact O-CG 3.19Å; N331-P361 WeakPolarHBondContact OD1-CD 3.27Å; N331-K474 PolarHBondContact OD1-NZ 3.05Å; N331-K474 VanDerWaalsContact OD1-NZ 3.11Å
332S98.2Very high96Very high27 Ų2738.7 Ų38.719%0.18922%0.22CC..  trans-81.1-33.7179.1-72.10000114.1P329 D330 W358P329-S332 WeakPolarHBondContact CD-OG 3.29Å; P329-S332 WeakPolarHBondContact O-CB 3.43Å; P329-S332 PolarHBondContact O-OG 3.26Å; D330-S332 PolarHBondContact O-N 3.12Å; S332-W358 PolarHBondContact N-O 2.91Å
333F98.8Very high96.4Very high2 Ų236.6 Ų36.61%0.00921%0.209CC..EExtended strand (participates in β ladder)trans-121.8143-167.5-53.1-74.4000112.9K269 L271 V293 Y328 I336 W358 L359 K360K269-F333 HydrophobicContact CB-CD1 4.43Å; K269-F333 HydrophobicContact CD-CD1 4.12Å; K269-F333 HydrophobicContact CD-CE1 4.19Å; K269-F333 HydrophobicContact CG-CD1 4.07Å; K269-F333 HydrophobicContact CG-CE1 4.45Å; L271-F333 HydrophobicContact CB-CB 4.47Å; L271-F333 HydrophobicContact CB-CD1 3.73Å; L271-F333 HydrophobicContact CB-CD2 3.87Å; L271-F333 HydrophobicContact CB-CE1 3.81Å; L271-F333 HydrophobicContact CB-CE2 3.96Å; L271-F333 HydrophobicContact CB-CG 3.76Å; L271-F333 HydrophobicContact CB-CZ 3.92Å; L271-F333 HydrophobicContact CD1-CE1 4.28Å; L271-F333 HydrophobicContact CD1-CE2 4.3Å; L271-F333 HydrophobicContact CD1-CZ 3.89Å; L271-F333 HydrophobicContact CD2-CD2 4.18Å; L271-F333 HydrophobicContact CD2-CE2 3.86Å; L271-F333 HydrophobicContact CD2-CZ 4.3Å; L271-F333 HydrophobicContact CG-CE2 4.26Å; L271-F333 HydrophobicContact CG-CZ 4.25Å; V293-F333 HydrophobicContact CB-CE1 4.05Å; V293-F333 HydrophobicContact CG2-CE1 3.89Å; Y328-F333 HydrophobicContact CD1-CE2 4.14Å; Y328-F333 AromaticContact CD1-CZ 3.73Å; Y328-F333 HydrophobicContact CD1-CZ 3.73Å; Y328-F333 AromaticContact CD2-CE2 3.84Å; Y328-F333 HydrophobicContact CD2-CE2 3.84Å; Y328-F333 HydrophobicContact CD2-CZ 4.03Å; Y328-F333 AromaticContact CE1-CZ 3.94Å; Y328-F333 HydrophobicContact CE1-CZ 3.94Å; Y328-F333 HydrophobicContact CE2-CE2 4.39Å; Y328-F333 HydrophobicContact CE2-CZ 4.23Å; Y328-F333 AromaticContact CG-CE2 3.7Å; Y328-F333 HydrophobicContact CG-CE2 3.7Å; Y328-F333 AromaticContact CG-CZ 3.77Å; Y328-F333 HydrophobicContact CG-CZ 3.77Å; F333-I336 HydrophobicContact CB-CG1 4.31Å; F333-I336 HydrophobicContact CD2-CG1 4.5Å; F333-W358 HydrophobicContact CD2-CB 4.03Å; F333-W358 HydrophobicContact CE2-CB 4.31Å; F333-W358 PolarHBondContact N-O 3.41Å; F333-W358 VanDerWaalsContact N-O 3.1Å; F333-L359 CarbonylContact O-C 3.57Å; F333-K360 WeakPolarHBondContact O-CB 3.29Å; F333-K360 WeakPolarHBondContact O-CG 3.27Å; F333-K360 PolarHBondContact O-N 2.83Å
334D98.8Very high96.5Very high30 Ų3036.7 Ų36.716%0.1621%0.208CC..EExtended strand (participates in β ladder)trans-80.9-33172.2-56.9-82.9000110.7Q268 K269 K360 G363 K364Q268-D334 WeakPolarHBondContact CA-OD2 3.47Å; Q268-D334 HydrophobicContact CB-CB 3.93Å; Q268-D334 HydrophobicContact CG-CB 3.94Å; K269-D334 PolarHBondContact N-OD2 3.32Å; K269-D334 PolarHBondContact O-N 3.3Å; D334-K360 VanDerWaalsContact OD1-CD 3.24Å; D334-K360 WeakPolarHBondContact OD1-CD 3.41Å; D334-K360 IonicContact OD1-NZ 2.64Å; D334-K360 PolarHBondContact OD1-NZ 2.88Å; D334-K360 IonicContact OD2-NZ 3.3Å; D334-K360 PolarHBondContact OD2-NZ 2.82Å; D334-G363 CarbonylContact O-C 3.55Å; D334-G363 WeakPolarHBondContact O-CA 3.02Å; D334-K364 PolarHBondContact O-N 3.28Å
335V98.9Very high96.6Very high3 Ų333.8 Ų33.82%0.01819%0.19CC..EExtended strand (participates in β ladder)trans-134.3138.4174.3-179.90000110.6M262 L264 K269 V270 L271 K364M262-V335 HydrophobicContact CB-CG2 4.45Å; M262-V335 HydrophobicContact CG-CG1 4.23Å; M262-V335 HydrophobicContact SD-CG1 3.99Å; L264-V335 HydrophobicContact CD2-CB 4.43Å; L264-V335 HydrophobicContact CD2-CG2 3.77Å; K269-V335 PolarHBondContact O-N 3.44Å; V270-V335 CarbonylContact C-O 3.59Å; V270-V335 WeakPolarHBondContact CA-O 3.02Å; V270-V335 HydrophobicContact CG1-CB 4.19Å; V270-V335 HydrophobicContact CG1-CG1 4.27Å; V270-V335 HydrophobicContact CG2-CB 4.22Å; L271-V335 PolarHBondContact N-O 3.4Å; V335-K364 CarbonylContact C-O 3.53Å; V335-K364 VanDerWaalsContact CA-O 3.23Å; V335-K364 WeakPolarHBondContact CA-O 3.07Å; V335-K364 HydrophobicContact CG2-CB 4.44Å
336I98.9Very high96.9Very high0 Ų034.6 Ų34.60%019%0.187CC..EExtended strand (participates in β ladder)trans-109.5124.3162.1-64.2172.6000107.6L271 V273 F333 F355 W358 L359 K364 V365 L366L271-I336 HydrophobicContact CB-CG1 4.24Å; L271-I336 HydrophobicContact CD2-CG1 4.3Å; L271-I336 HydrophobicContact CD2-CG2 4.37Å; V273-I336 HydrophobicContact CG2-CG2 4.21Å; F333-I336 HydrophobicContact CB-CG1 4.31Å; F333-I336 HydrophobicContact CD2-CG1 4.5Å; I336-F355 HydrophobicContact CD1-CB 3.78Å; I336-F355 HydrophobicContact CD1-CD1 4.16Å; I336-F355 HydrophobicContact CD1-CG 4.02Å; I336-F355 WeakPolarHBondContact CD1-O 3.11Å; I336-F355 HydrophobicContact CG2-CD1 4.21Å; I336-F355 HydrophobicContact CG2-CD2 3.91Å; I336-F355 HydrophobicContact CG2-CE1 4.2Å; I336-F355 HydrophobicContact CG2-CE2 3.91Å; I336-F355 HydrophobicContact CG2-CG 4.06Å; I336-F355 HydrophobicContact CG2-CZ 4.05Å; I336-W358 HydrophobicContact CD1-CB 4.04Å; I336-L359 HydrophobicContact CB-CD1 4.36Å; I336-L359 HydrophobicContact CD1-CB 4.15Å; I336-L359 HydrophobicContact CD1-CD1 4.18Å; I336-L359 HydrophobicContact CG1-CD1 3.84Å; I336-K364 PolarHBondContact N-O 2.74Å; I336-V365 HydrophobicContact CB-CG2 4.27Å; I336-V365 HydrophobicContact CG2-CG2 4.34Å; I336-V365 CarbonylContact O-C 3.4Å; I336-V365 VanDerWaalsContact O-CA 3.29Å; I336-V365 WeakPolarHBondContact O-CA 3.23Å; I336-L366 PolarHBondContact O-N 2.93Å
337Y98.9Very high97.3Very high2 Ų236.4 Ų36.41%0.00820%0.199CC..EExtended strand (participates in β ladder)trans-120.5143.4-175.7174.7-122.8000109.9M262 L271 D272 V273 M284 R339 L366M262-Y337 HydrophobicContact CE-CD1 4.45Å; M262-Y337 HydrophobicContact CE-CD2 3.05Å; M262-Y337 HydrophobicContact CE-CE2 3.34Å; M262-Y337 HydrophobicContact CE-CG 3.63Å; L271-Y337 PolarHBondContact O-N 3.12Å; D272-Y337 WeakPolarHBondContact CA-O 2.96Å; D272-Y337 HydrophobicContact CB-CD1 4.18Å; D272-Y337 VanDerWaalsContact CG-CD1 3.5Å; D272-Y337 VanDerWaalsContact OD2-CD1 3.23Å; D272-Y337 WeakPolarHBondContact OD2-CD1 3.48Å; D272-Y337 WeakPolarHBondContact OD2-CE1 3.48Å; V273-Y337 PolarHBondContact N-O 3.09Å; M284-Y337 HydrophobicContact CE-CD1 3.71Å; M284-Y337 HydrophobicContact CE-CE1 3.98Å; M284-Y337 HydrophobicContact SD-CD1 4.3Å; Y337-R339 HydrophobicContact CD2-CG 4.38Å; Y337-R339 HydrophobicContact CE1-CG 3.71Å; Y337-R339 VanDerWaalsContact CE2-CD 3.4Å; Y337-R339 HydrophobicContact CE2-CG 3.52Å; Y337-R339 VanDerWaalsContact CZ-CD 3.49Å; Y337-R339 VanDerWaalsContact OH-CD 3.27Å; Y337-R339 WeakPolarHBondContact OH-CD 3.43Å; Y337-R339 WeakPolarHBondContact OH-CG 3.16Å; Y337-R339 PolarHBondContact OH-NH1 3.29Å; Y337-L366 WeakPolarHBondContact CA-O 3.22Å; Y337-L366 HydrophobicContact CD2-CD2 3.74Å; Y337-L366 HydrophobicContact CE2-CD2 3.73Å
338S98.9Very high97.7Very high0 Ų030.9 Ų30.90%017%0.165CC..EExtended strand (participates in β ladder)trans-154141.6172.3-172.50000110.8V273 T341 L366 I367 T368V273-S338 WeakPolarHBondContact O-CB 3.2Å; V273-S338 PolarHBondContact O-OG 2.92Å; S338-T341 WeakPolarHBondContact OG-CB 3.41Å; S338-T341 PolarHBondContact OG-OG1 2.72Å; S338-L366 PolarHBondContact N-O 3.24Å; S338-I367 WeakPolarHBondContact O-CA 3.35Å; S338-T368 PolarHBondContact O-N 3.22Å
339R98.8Very high97.9Very high15 Ų1531.3 Ų31.36%0.05717%0.172CC..EExtended strand (participates in β ladder)trans-131.4108.5-176.1-67.2-63.6-59.1-72.8-6111.9T249 T254 T255 Y337 T341 T368T249-R339 PolarHBondContact O-NH2 3.47Å; T254-R339 PolarHBondContact OG1-NH2 3.28Å; T255-R339 PolarHBondContact OG1-NH1 2.96Å; Y337-R339 HydrophobicContact CD2-CG 4.38Å; Y337-R339 HydrophobicContact CE1-CG 3.71Å; Y337-R339 VanDerWaalsContact CE2-CD 3.4Å; Y337-R339 HydrophobicContact CE2-CG 3.52Å; Y337-R339 VanDerWaalsContact CZ-CD 3.49Å; Y337-R339 VanDerWaalsContact OH-CD 3.27Å; Y337-R339 WeakPolarHBondContact OH-CD 3.43Å; Y337-R339 WeakPolarHBondContact OH-CG 3.16Å; Y337-R339 PolarHBondContact OH-NH1 3.29Å; R339-T341 PolarHBondContact O-N 3.28Å; R339-T341 PolarHBondContact O-OG1 3.39Å; R339-T341 VanDerWaalsContact O-OG1 3.06Å; R339-T368 VanDerWaalsContact CD-OG1 3.29Å; R339-T368 WeakPolarHBondContact CD-OG1 3.3Å; R339-T368 PolarHBondContact NE-OG1 2.98Å
340D98.2Very high98Very high16 Ų1628.3 Ų28.39%0.08616%0.155CC..SBendtrans51.839.3174.9-54.9-7.2000111.2T249 L343 T368 Y370 W467T249-D340 WeakPolarHBondContact CB-OD2 3.37Å; T249-D340 PolarHBondContact N-OD2 2.89Å; T249-D340 PolarHBondContact OG1-OD2 2.93Å; D340-L343 VanDerWaalsContact C-CD2 3.49Å; D340-L343 WeakPolarHBondContact O-CD2 3.4Å; D340-T368 PolarHBondContact N-O 3.48Å; D340-T368 WeakPolarHBondContact OD1-CB 3.37Å; D340-T368 PolarHBondContact OD1-OG1 3.26Å; D340-Y370 HydrophobicContact CB-CD1 4.45Å; D340-Y370 HydrophobicContact CB-CE1 4.34Å; D340-W467 PolarHBondContact OD1-NE1 3.41Å
341T98.1Very high98Very high23 Ų2324.4 Ų24.414%0.14113%0.134CC..  trans-113.2-37-176.7-45.50000112.4V273 G274 S338 R339 L343 H344V273-T341 PolarHBondContact O-OG1 2.93Å; G274-T341 VanDerWaalsContact CA-CG2 3.49Å; S338-T341 WeakPolarHBondContact OG-CB 3.41Å; S338-T341 PolarHBondContact OG-OG1 2.72Å; R339-T341 PolarHBondContact O-N 3.28Å; R339-T341 PolarHBondContact O-OG1 3.39Å; R339-T341 VanDerWaalsContact O-OG1 3.06Å; T341-L343 VanDerWaalsContact C-CD2 3.41Å; T341-L343 WeakPolarHBondContact O-CD2 3.45Å; T341-L343 PolarHBondContact O-N 2.68Å; T341-H344 VanDerWaalsContact O-CB 3.32Å; T341-H344 WeakPolarHBondContact O-CB 3.2Å; T341-H344 PolarHBondContact O-CD2 3.04Å; T341-H344 PolarHBondContact O-N 2.85Å; T341-H344 VanDerWaalsContact O-N 3.11Å
342I98.6Very high98.1Very high0 Ų020.8 Ų20.80%012%0.115CC..G310 helixtrans-77.6-11.4-166.5-62.9173.8000112.2H344 I345 K348 L351 F352 F355 I367 D369 Y398I342-H344 PolarHBondContact O-N 3.33Å; I342-H344 VanDerWaalsContact O-N 3.13Å; I342-I345 HydrophobicContact CG2-CB 4.31Å; I342-I345 HydrophobicContact CG2-CG1 4.5Å; I342-I345 PolarHBondContact O-N 2.77Å; I342-K348 HydrophobicContact CG2-CD 4Å; I342-K348 HydrophobicContact CG2-CG 3.8Å; I342-K348 VanDerWaalsContact O-CE 3.23Å; I342-K348 WeakPolarHBondContact O-CE 3.49Å; I342-K348 PolarHBondContact O-NZ 3.03Å; I342-K348 VanDerWaalsContact O-NZ 3.1Å; I342-L351 HydrophobicContact CD1-CD2 4.12Å; I342-L351 HydrophobicContact CG1-CD2 4.12Å; I342-L351 HydrophobicContact CG2-CD2 4.19Å; I342-F352 HydrophobicContact CD1-CE1 4.13Å; I342-F352 HydrophobicContact CG2-CE1 4.21Å; I342-F352 HydrophobicContact CG2-CZ 4.3Å; I342-F355 HydrophobicContact CD1-CE2 3.95Å; I342-F355 HydrophobicContact CD1-CZ 4.32Å; I342-I367 HydrophobicContact CD1-CD1 3.83Å; I342-I367 HydrophobicContact CD1-CG1 4.1Å; I342-I367 HydrophobicContact CD1-CG2 4.01Å; I342-D369 WeakPolarHBondContact CA-OD2 2.86Å; I342-D369 VanDerWaalsContact CB-OD2 3.24Å; I342-D369 WeakPolarHBondContact CB-OD2 3.39Å; I342-Y398 WeakPolarHBondContact CB-OH 3.33Å; I342-Y398 WeakPolarHBondContact CG2-OH 3.26Å
343L97.6Very high98.1Very high3 Ų325.8 Ų25.82%0.01613%0.13CC..G310 helixtrans-55.2-24.9164.577.5179.8000113.4D340 T341 I345 D369 Y370 Y390 D391 L392D340-L343 VanDerWaalsContact C-CD2 3.49Å; D340-L343 WeakPolarHBondContact O-CD2 3.4Å; T341-L343 VanDerWaalsContact C-CD2 3.41Å; T341-L343 WeakPolarHBondContact O-CD2 3.45Å; T341-L343 PolarHBondContact O-N 2.68Å; L343-I345 VanDerWaalsContact C-N 3.34Å; L343-D369 WeakPolarHBondContact CB-OD1 3.37Å; L343-D369 VanDerWaalsContact N-CG 3.34Å; L343-D369 PolarHBondContact N-OD1 2.7Å; L343-D369 PolarHBondContact N-OD2 3.02Å; L343-Y370 HydrophobicContact CD1-CD2 3.71Å; L343-Y370 HydrophobicContact CD1-CG 3.78Å; L343-Y390 HydrophobicContact CB-CG 4.46Å; L343-Y390 HydrophobicContact CD1-CD1 3.93Å; L343-Y390 HydrophobicContact CD1-CD2 3.86Å; L343-Y390 HydrophobicContact CD1-CE1 3.73Å; L343-Y390 HydrophobicContact CD1-CE2 3.62Å; L343-Y390 HydrophobicContact CD1-CG 4.01Å; L343-Y390 HydrophobicContact CG-CD1 3.82Å; L343-Y390 HydrophobicContact CG-CD2 4.49Å; L343-Y390 HydrophobicContact CG-CE1 3.92Å; L343-Y390 HydrophobicContact CG-CG 4.13Å; L343-Y390 CarbonylContact O-C 3.43Å; L343-Y390 WeakPolarHBondContact O-CA 3.41Å; L343-D391 PolarHBondContact O-N 2.85Å; L343-L392 HydrophobicContact CB-CD2 3.89Å
344H94.9Very high98.1Very high14 Ų1428 Ų287%0.06514%0.143CC..G310 helixtrans-79.4-16.7176.8-70.7-66.7000113.2F221 Y230 T341 I342 Q346 Y390F221-H344 HydrophobicContact CE1-CB 4.27Å; F221-H344 HydrophobicContact CZ-CB 3.72Å; F221-H344 AromaticContact CZ-CG 3.99Å; F221-H344 AromaticContact CZ-ND1 3.73Å; Y230-H344 AromaticContact CE2-NE2 3.91Å; Y230-H344 AromaticContact CZ-NE2 3.94Å; Y230-H344 PolarHBondContact OH-NE2 3.16Å; T341-H344 VanDerWaalsContact O-CB 3.32Å; T341-H344 WeakPolarHBondContact O-CB 3.2Å; T341-H344 PolarHBondContact O-CD2 3.04Å; T341-H344 PolarHBondContact O-N 2.85Å; T341-H344 VanDerWaalsContact O-N 3.11Å; I342-H344 PolarHBondContact O-N 3.33Å; I342-H344 VanDerWaalsContact O-N 3.13Å; H344-Q346 PolarHBondContact O-NE2 2.93Å; H344-Q346 VanDerWaalsContact O-NE2 3.16Å; H344-Y390 AromaticContact CE1-CE1 3.49Å; H344-Y390 VanDerWaalsContact CE1-CE1 3.49Å; H344-Y390 WeakPolarHBondContact CE1-CE1 3.23Å; H344-Y390 AromaticContact ND1-CE1 3.78Å
345I95.4Very high98.1Very high14 Ų1426.6 Ų26.67%0.07214%0.136CC..  trans-95.1124.4-172.7-53.4-52.1000110.4T324 I342 L343 K348 L351T324-I345 HydrophobicContact CG2-CD1 3.83Å; T324-I345 HydrophobicContact CG2-CG2 3.77Å; I342-I345 HydrophobicContact CG2-CB 4.31Å; I342-I345 HydrophobicContact CG2-CG1 4.5Å; I342-I345 PolarHBondContact O-N 2.77Å; L343-I345 VanDerWaalsContact C-N 3.34Å; I345-K348 PolarHBondContact O-NZ 3.43Å; I345-L351 HydrophobicContact CB-CD2 4.44Å; I345-L351 HydrophobicContact CG1-CD2 4.15Å; I345-L351 HydrophobicContact CG2-CB 4.42Å; I345-L351 HydrophobicContact CG2-CD2 4.12Å
346Q95.5Very high98.1Very high119 Ų11929.2 Ų29.256%0.55615%0.147SC*.SBendtrans-80-38.1-173.9-50.8-58.2-60.200112.8H344 G389H344-Q346 PolarHBondContact O-NE2 2.93Å; H344-Q346 VanDerWaalsContact O-NE2 3.16Å; Q346-G389 PolarHBondContact NE2-O 2.87Å
347D97.6Very high98Very high88 Ų8834.3 Ų34.347%0.47117%0.169SC..  trans-107.573177.3-167.9-16.5000110.9P349 A350 L351D347-P349 WeakPolarHBondContact OD1-CD 3.32Å; D347-A350 HydrophobicContact CB-CB 4.11Å; D347-A350 PolarHBondContact O-N 2.9Å; D347-A350 WeakPolarHBondContact OD1-CB 3.08Å; D347-A350 PolarHBondContact OD1-N 3.26Å; D347-A350 WeakPolarHBondContact OD2-CB 3.41Å; D347-L351 PolarHBondContact O-N 3.29Å; D347-L351 VanDerWaalsContact O-N 3.16Å
348K98.7Very high98Very high1 Ų134.8 Ų34.80%0.00417%0.171CC..Hα-helixtrans-57.3-42176.2-61.5179.3176.549.80112.8I342 I345 A350 L351 F352 D391 Y398 M401I342-K348 HydrophobicContact CG2-CD 4Å; I342-K348 HydrophobicContact CG2-CG 3.8Å; I342-K348 VanDerWaalsContact O-CE 3.23Å; I342-K348 WeakPolarHBondContact O-CE 3.49Å; I342-K348 PolarHBondContact O-NZ 3.03Å; I342-K348 VanDerWaalsContact O-NZ 3.1Å; I345-K348 PolarHBondContact O-NZ 3.43Å; K348-A350 VanDerWaalsContact C-N 3.33Å; K348-A350 PolarHBondContact O-N 3.13Å; K348-L351 PolarHBondContact O-N 3.1Å; K348-F352 HydrophobicContact CB-CE2 3.89Å; K348-F352 HydrophobicContact CB-CZ 3.89Å; K348-F352 HydrophobicContact CG-CZ 4.5Å; K348-F352 WeakPolarHBondContact O-CD2 3.38Å; K348-F352 VanDerWaalsContact O-CG 3.24Å; K348-F352 WeakPolarHBondContact O-CG 3.49Å; K348-F352 PolarHBondContact O-N 3.23Å; K348-D391 WeakPolarHBondContact CE-O 3.33Å; K348-D391 PolarHBondContact NZ-O 2.75Å; K348-D391 IonicContact NZ-OD2 3.14Å; K348-D391 PolarHBondContact NZ-OD2 3.42Å; K348-Y398 HydrophobicContact CD-CD2 4.4Å; K348-Y398 HydrophobicContact CD-CE2 3.86Å; K348-M401 HydrophobicContact CB-CE 4.39Å; K348-M401 HydrophobicContact CB-SD 4.21Å; K348-M401 HydrophobicContact CD-CE 4.09Å
349P98.7Very high98Very high45 Ų4534.8 Ų34.829%0.29217%0.171SC..Hα-helixtrans-57.7-40.4175.5-27.436.2000113.8D347 R353 M401D347-P349 WeakPolarHBondContact OD1-CD 3.32Å; P349-R353 WeakPolarHBondContact O-CG 3.37Å; P349-R353 PolarHBondContact O-N 3.1Å; P349-R353 VanDerWaalsContact O-N 3.16Å; P349-R353 PolarHBondContact O-NH1 2.85Å; P349-M401 HydrophobicContact CG-CG 4.31Å; P349-M401 HydrophobicContact CG-SD 3.77Å
350A98.4Very high98Very high30 Ų3037 Ų3725%0.24818%0.181CC..Hα-helixtrans-64.4-45.1174.800000112.1D347 K348 F352 R353 T354D347-A350 HydrophobicContact CB-CB 4.11Å; D347-A350 PolarHBondContact O-N 2.9Å; D347-A350 WeakPolarHBondContact OD1-CB 3.08Å; D347-A350 PolarHBondContact OD1-N 3.26Å; D347-A350 WeakPolarHBondContact OD2-CB 3.41Å; K348-A350 VanDerWaalsContact C-N 3.33Å; K348-A350 PolarHBondContact O-N 3.13Å; A350-F352 PolarHBondContact O-N 3.11Å; A350-R353 VanDerWaalsContact CA-NH2 3.28Å; A350-R353 PolarHBondContact O-N 3.48Å; A350-T354 PolarHBondContact O-N 2.92Å; A350-T354 VanDerWaalsContact O-N 3.15Å; A350-T354 PolarHBondContact O-OG1 2.83Å
351L98.6Very high98Very high5 Ų540.2 Ų40.23%0.02620%0.203CC..Hα-helixtrans-59.2-45.5176.7-176.564.9000111.7C323 I342 I345 D347 K348 R353 T354 F355C323-L351 HydrophobicContact CB-CD1 4.32Å; I342-L351 HydrophobicContact CD1-CD2 4.12Å; I342-L351 HydrophobicContact CG1-CD2 4.12Å; I342-L351 HydrophobicContact CG2-CD2 4.19Å; I345-L351 HydrophobicContact CB-CD2 4.44Å; I345-L351 HydrophobicContact CG1-CD2 4.15Å; I345-L351 HydrophobicContact CG2-CB 4.42Å; I345-L351 HydrophobicContact CG2-CD2 4.12Å; D347-L351 PolarHBondContact O-N 3.29Å; D347-L351 VanDerWaalsContact O-N 3.16Å; K348-L351 PolarHBondContact O-N 3.1Å; L351-R353 PolarHBondContact O-N 3.34Å; L351-T354 CarbonylContact O-C 3.57Å; L351-T354 WeakPolarHBondContact O-CA 3.25Å; L351-T354 VanDerWaalsContact O-CB 3.32Å; L351-T354 WeakPolarHBondContact O-CB 3.41Å; L351-T354 PolarHBondContact O-N 3.05Å; L351-T354 VanDerWaalsContact O-N 3.09Å; L351-F355 HydrophobicContact CD1-CD1 4.12Å; L351-F355 HydrophobicContact CD1-CE1 3.47Å; L351-F355 VanDerWaalsContact CD1-CE1 3.47Å; L351-F355 HydrophobicContact CD1-CZ 3.83Å; L351-F355 HydrophobicContact CD2-CE1 4.31Å; L351-F355 HydrophobicContact CD2-CE2 4.24Å; L351-F355 HydrophobicContact CD2-CZ 3.78Å; L351-F355 HydrophobicContact CG-CD1 4.28Å; L351-F355 HydrophobicContact CG-CE1 3.75Å; L351-F355 HydrophobicContact CG-CE2 4.14Å; L351-F355 HydrophobicContact CG-CZ 3.67Å; L351-F355 PolarHBondContact O-N 3.17Å
352F98.9Very high98Very high0 Ų042 Ų420%023%0.226CC..Hα-helixtrans-66.6-35.4-178.9-60.2-22.6000113I342 K348 A350 T354 F355 F356 I367 Y398 M401 L402 A405 F407I342-F352 HydrophobicContact CD1-CE1 4.13Å; I342-F352 HydrophobicContact CG2-CE1 4.21Å; I342-F352 HydrophobicContact CG2-CZ 4.3Å; K348-F352 HydrophobicContact CB-CE2 3.89Å; K348-F352 HydrophobicContact CB-CZ 3.89Å; K348-F352 HydrophobicContact CG-CZ 4.5Å; K348-F352 WeakPolarHBondContact O-CD2 3.38Å; K348-F352 VanDerWaalsContact O-CG 3.24Å; K348-F352 WeakPolarHBondContact O-CG 3.49Å; K348-F352 PolarHBondContact O-N 3.23Å; A350-F352 PolarHBondContact O-N 3.11Å; F352-T354 VanDerWaalsContact C-N 3.28Å; F352-T354 PolarHBondContact O-N 3.37Å; F352-F355 HydrophobicContact CD1-CD2 4.11Å; F352-F355 HydrophobicContact CD1-CE2 4.36Å; F352-F355 PolarHBondContact O-N 3.21Å; F352-F356 PolarHBondContact O-N 2.81Å; F352-I367 HydrophobicContact CE1-CD1 3.94Å; F352-Y398 HydrophobicContact CE1-CE1 4.27Å; F352-Y398 HydrophobicContact CE2-CD1 4.26Å; F352-Y398 AromaticContact CE2-CE1 3.89Å; F352-Y398 HydrophobicContact CE2-CE1 3.89Å; F352-Y398 HydrophobicContact CZ-CD1 4.14Å; F352-Y398 AromaticContact CZ-CE1 3.34Å; F352-Y398 HydrophobicContact CZ-CE1 3.34Å; F352-Y398 AromaticContact CZ-CZ 3.64Å; F352-M401 HydrophobicContact CD2-CB 3.88Å; F352-M401 HydrophobicContact CE2-CB 3.83Å; F352-L402 HydrophobicContact CB-CD2 4.32Å; F352-L402 HydrophobicContact CD1-CD2 4.02Å; F352-L402 HydrophobicContact CD2-CD2 3.92Å; F352-L402 HydrophobicContact CD2-CG 4.15Å; F352-L402 HydrophobicContact CE1-CD2 4.34Å; F352-L402 HydrophobicContact CE2-CD2 4.25Å; F352-L402 HydrophobicContact CE2-CG 4.22Å; F352-L402 HydrophobicContact CG-CD2 3.82Å; F352-L402 HydrophobicContact CZ-CD2 4.46Å; F352-A405 HydrophobicContact CB-CB 3.61Å; F352-F407 HydrophobicContact CB-CE2 4.45Å; F352-F407 WeakPolarHBondContact O-CE2 3.44Å
353R98.7Very high98Very high132 Ų13242.2 Ų42.250%0.49823%0.228SC..Hα-helixtrans-62.8-37.7171.2-72.3-174.5-61.8-89.83.3111.7P349 A350 L351 F356 K357 A405P349-R353 WeakPolarHBondContact O-CG 3.37Å; P349-R353 PolarHBondContact O-N 3.1Å; P349-R353 VanDerWaalsContact O-N 3.16Å; P349-R353 PolarHBondContact O-NH1 2.85Å; A350-R353 VanDerWaalsContact CA-NH2 3.28Å; A350-R353 PolarHBondContact O-N 3.48Å; L351-R353 PolarHBondContact O-N 3.34Å; R353-F356 PolarHBondContact O-N 2.92Å; R353-K357 PolarHBondContact O-N 3.05Å; R353-A405 HydrophobicContact CG-CB 4.17Å
354T98.5Very high98.1Very high48 Ų4844.8 Ų44.829%0.29424%0.239SC..Hα-helixtrans-66-44.2174.1-640000111.4A350 L351 F352 F356 K357 W358A350-T354 PolarHBondContact O-N 2.92Å; A350-T354 VanDerWaalsContact O-N 3.15Å; A350-T354 PolarHBondContact O-OG1 2.83Å; L351-T354 CarbonylContact O-C 3.57Å; L351-T354 WeakPolarHBondContact O-CA 3.25Å; L351-T354 VanDerWaalsContact O-CB 3.32Å; L351-T354 WeakPolarHBondContact O-CB 3.41Å; L351-T354 PolarHBondContact O-N 3.05Å; L351-T354 VanDerWaalsContact O-N 3.09Å; F352-T354 VanDerWaalsContact C-N 3.28Å; F352-T354 PolarHBondContact O-N 3.37Å; T354-F356 VanDerWaalsContact C-N 3.32Å; T354-F356 PolarHBondContact O-N 2.81Å; T354-K357 WeakPolarHBondContact O-CB 3.33Å; T354-K357 PolarHBondContact O-N 3.21Å; T354-K357 VanDerWaalsContact O-N 3.11Å; T354-W358 HydrophobicContact CG2-CD2 3.75Å; T354-W358 HydrophobicContact CG2-CE3 4.13Å; T354-W358 HydrophobicContact CG2-CG 4.44Å; T354-W358 HydrophobicContact CG2-CH2 3.6Å; T354-W358 HydrophobicContact CG2-CZ2 3.16Å; T354-W358 HydrophobicContact CG2-CZ3 4.07Å; T354-W358 PolarHBondContact O-N 3.33Å
355F98.7Very high98.2Very high0 Ų044.1 Ų44.10%024%0.236CC..Hα-helixtrans-57.9-44.5174-72-1.4000111.9V273 I336 I342 L351 F352 K357 W358 L359 V365 I367 F407V273-F355 HydrophobicContact CB-CZ 4.22Å; V273-F355 HydrophobicContact CG1-CZ 4.17Å; V273-F355 HydrophobicContact CG2-CE1 3.91Å; V273-F355 HydrophobicContact CG2-CZ 3.76Å; I336-F355 HydrophobicContact CD1-CB 3.78Å; I336-F355 HydrophobicContact CD1-CD1 4.16Å; I336-F355 HydrophobicContact CD1-CG 4.02Å; I336-F355 WeakPolarHBondContact CD1-O 3.11Å; I336-F355 HydrophobicContact CG2-CD1 4.21Å; I336-F355 HydrophobicContact CG2-CD2 3.91Å; I336-F355 HydrophobicContact CG2-CE1 4.2Å; I336-F355 HydrophobicContact CG2-CE2 3.91Å; I336-F355 HydrophobicContact CG2-CG 4.06Å; I336-F355 HydrophobicContact CG2-CZ 4.05Å; I342-F355 HydrophobicContact CD1-CE2 3.95Å; I342-F355 HydrophobicContact CD1-CZ 4.32Å; L351-F355 HydrophobicContact CD1-CD1 4.12Å; L351-F355 HydrophobicContact CD1-CE1 3.47Å; L351-F355 VanDerWaalsContact CD1-CE1 3.47Å; L351-F355 HydrophobicContact CD1-CZ 3.83Å; L351-F355 HydrophobicContact CD2-CE1 4.31Å; L351-F355 HydrophobicContact CD2-CE2 4.24Å; L351-F355 HydrophobicContact CD2-CZ 3.78Å; L351-F355 HydrophobicContact CG-CD1 4.28Å; L351-F355 HydrophobicContact CG-CE1 3.75Å; L351-F355 HydrophobicContact CG-CE2 4.14Å; L351-F355 HydrophobicContact CG-CZ 3.67Å; L351-F355 PolarHBondContact O-N 3.17Å; F352-F355 HydrophobicContact CD1-CD2 4.11Å; F352-F355 HydrophobicContact CD1-CE2 4.36Å; F352-F355 PolarHBondContact O-N 3.21Å; F355-K357 PolarHBondContact O-N 3.3Å; F355-W358 HydrophobicContact CD1-CE3 4.17Å; F355-W358 HydrophobicContact CD1-CZ3 4.32Å; F355-W358 HydrophobicContact CE1-CZ3 4.31Å; F355-W358 PolarHBondContact O-N 2.57Å; F355-W358 VanDerWaalsContact O-N 3.14Å; F355-L359 WeakPolarHBondContact O-CB 2.82Å; F355-L359 PolarHBondContact O-N 2.78Å; F355-V365 HydrophobicContact CD2-CG2 4.2Å; F355-I367 HydrophobicContact CE2-CD1 4.43Å; F355-F407 HydrophobicContact CB-CE2 4.46Å; F355-F407 HydrophobicContact CB-CZ 3.96Å
356F98.8Very high98.4Very high58 Ų5843.5 Ų43.525%0.25423%0.233SC..Hα-helixtrans-57.9-36.9177.6-172.1-95.6000112F352 R353 T354 G406 F407 K474F352-F356 PolarHBondContact O-N 2.81Å; R353-F356 PolarHBondContact O-N 2.92Å; T354-F356 VanDerWaalsContact C-N 3.32Å; T354-F356 PolarHBondContact O-N 2.81Å; F356-G406 VanDerWaalsContact CE2-C 3.41Å; F356-G406 WeakPolarHBondContact CE2-O 3.35Å; F356-F407 HydrophobicContact CB-CE1 4.5Å; F356-F407 HydrophobicContact CB-CE2 4.02Å; F356-F407 HydrophobicContact CB-CZ 3.93Å; F356-F407 AromaticContact CD2-CD1 3.98Å; F356-F407 HydrophobicContact CD2-CD1 3.98Å; F356-F407 HydrophobicContact CD2-CD2 4.31Å; F356-F407 HydrophobicContact CD2-CE1 4.02Å; F356-F407 HydrophobicContact CD2-CE2 4.36Å; F356-F407 HydrophobicContact CD2-CG 4.13Å; F356-F407 HydrophobicContact CD2-CZ 4.22Å; F356-K474 HydrophobicContact CD2-CD 4.35Å; F356-K474 HydrophobicContact CD2-CG 4.29Å; F356-K474 HydrophobicContact CE2-CB 4.16Å; F356-K474 HydrophobicContact CE2-CD 4.15Å; F356-K474 HydrophobicContact CE2-CG 3.72Å; F356-K474 HydrophobicContact CZ-CD 4.3Å; F356-K474 HydrophobicContact CZ-CG 4.01Å; F356-K474 VanDerWaalsContact O-CD 3.31Å; F356-K474 WeakPolarHBondContact O-CD 3.36Å; F356-K474 WeakPolarHBondContact O-CE 3.45Å; F356-K474 PolarHBondContact O-NZ 3.24Å
357K98.5Very high98.6Very high108 Ų10837.9 Ų37.947%0.4721%0.207SC..Hα-helixtrans-69.7-45.3174.3-70.1-17365.1-174.60112.9D330 N331 R353 T354 F355 L359D330-K357 CarbonylContact C-O 3.54Å; D330-K357 WeakPolarHBondContact CA-O 3.43Å; D330-K357 VanDerWaalsContact CG-CE 3.49Å; D330-K357 WeakPolarHBondContact OD1-CE 3.36Å; D330-K357 IonicContact OD1-NZ 2.68Å; D330-K357 WeakPolarHBondContact OD2-CE 3.43Å; D330-K357 IonicContact OD2-NZ 3.33Å; N331-K357 PolarHBondContact N-O 3.46Å; R353-K357 PolarHBondContact O-N 3.05Å; T354-K357 WeakPolarHBondContact O-CB 3.33Å; T354-K357 PolarHBondContact O-N 3.21Å; T354-K357 VanDerWaalsContact O-N 3.11Å; F355-K357 PolarHBondContact O-N 3.3Å; K357-L359 VanDerWaalsContact C-N 3.34Å; K357-L359 PolarHBondContact O-N 2.7Å
358W98.8Very high98.6Very high11 Ų1133.7 Ų33.74%0.04218%0.184CC..Hα-helixtrans-70.7-28.4-176.2-66.6-10.4000113.8L271 K326 Y328 N331 S332 F333 I336 T354 F355L271-W358 HydrophobicContact CD2-CE3 3.66Å; L271-W358 HydrophobicContact CD2-CZ3 3.84Å; K326-W358 HydrophobicContact CB-CH2 4.47Å; K326-W358 WeakPolarHBondContact O-CH2 3.31Å; K326-W358 WeakPolarHBondContact O-CZ2 3.41Å; Y328-W358 AromaticContact CD2-CD2 3.89Å; Y328-W358 HydrophobicContact CD2-CD2 3.89Å; Y328-W358 AromaticContact CD2-CE2 3.89Å; Y328-W358 AromaticContact CD2-CE3 3.77Å; Y328-W358 HydrophobicContact CD2-CE3 3.77Å; Y328-W358 AromaticContact CD2-CH2 3.74Å; Y328-W358 HydrophobicContact CD2-CH2 3.74Å; Y328-W358 AromaticContact CD2-CZ2 3.84Å; Y328-W358 HydrophobicContact CD2-CZ2 3.84Å; Y328-W358 AromaticContact CD2-CZ3 3.7Å; Y328-W358 HydrophobicContact CD2-CZ3 3.7Å; Y328-W358 HydrophobicContact CE2-CE3 4.49Å; Y328-W358 HydrophobicContact CE2-CH2 4.22Å; Y328-W358 HydrophobicContact CE2-CZ3 4.1Å; Y328-W358 HydrophobicContact CG-CD2 4.46Å; Y328-W358 PolarHBondContact O-NE1 2.78Å; Y328-W358 VanDerWaalsContact O-NE1 3.16Å; N331-W358 CarbonylContact C-O 3.48Å; N331-W358 WeakPolarHBondContact CA-O 3.37Å; N331-W358 PolarHBondContact N-O 3.11Å; S332-W358 PolarHBondContact N-O 2.91Å; F333-W358 HydrophobicContact CD2-CB 4.03Å; F333-W358 HydrophobicContact CE2-CB 4.31Å; F333-W358 PolarHBondContact N-O 3.41Å; F333-W358 VanDerWaalsContact N-O 3.1Å; I336-W358 HydrophobicContact CD1-CB 4.04Å; T354-W358 HydrophobicContact CG2-CD2 3.75Å; T354-W358 HydrophobicContact CG2-CE3 4.13Å; T354-W358 HydrophobicContact CG2-CG 4.44Å; T354-W358 HydrophobicContact CG2-CH2 3.6Å; T354-W358 HydrophobicContact CG2-CZ2 3.16Å; T354-W358 HydrophobicContact CG2-CZ3 4.07Å; T354-W358 PolarHBondContact O-N 3.33Å; F355-W358 HydrophobicContact CD1-CE3 4.17Å; F355-W358 HydrophobicContact CD1-CZ3 4.32Å; F355-W358 HydrophobicContact CE1-CZ3 4.31Å; F355-W358 PolarHBondContact O-N 2.57Å; F355-W358 VanDerWaalsContact O-N 3.14Å
359L98.8Very high98.6Very high0 Ų033.7 Ų33.70%018%0.184CC..EExtended strand (participates in β ladder)trans-72.6140.6179-159.767.7000110.8N331 F333 I336 F355 K357 K364 F407 K474N331-L359 PolarHBondContact OD1-O 3.18Å; F333-L359 CarbonylContact O-C 3.57Å; I336-L359 HydrophobicContact CB-CD1 4.36Å; I336-L359 HydrophobicContact CD1-CB 4.15Å; I336-L359 HydrophobicContact CD1-CD1 4.18Å; I336-L359 HydrophobicContact CG1-CD1 3.84Å; F355-L359 WeakPolarHBondContact O-CB 2.82Å; F355-L359 PolarHBondContact O-N 2.78Å; K357-L359 VanDerWaalsContact C-N 3.34Å; K357-L359 PolarHBondContact O-N 2.7Å; L359-K364 VanDerWaalsContact CD1-O 3.25Å; L359-K364 WeakPolarHBondContact CD1-O 3.2Å; L359-F407 HydrophobicContact CD2-CE1 3.79Å; L359-K474 HydrophobicContact CB-CD 4.13Å; L359-K474 HydrophobicContact CD2-CB 3.83Å; L359-K474 HydrophobicContact CG-CB 4.43Å; L359-K474 WeakPolarHBondContact O-CD 3.49Å; L359-K474 WeakPolarHBondContact O-CE 3.41Å; L359-K474 PolarHBondContact O-NZ 3.06Å
360K98.7Very high98.6Very high63 Ų6332.4 Ų32.427%0.27417%0.174SC..EExtended strand (participates in β ladder)trans-70.3152.3172.6-70.3167-176.5173.70110.6N331 F333 D334 G362 G363N331-K360 HydrophobicContact CB-CG 4.08Å; N331-K360 WeakPolarHBondContact O-CG 3.19Å; F333-K360 WeakPolarHBondContact O-CB 3.29Å; F333-K360 WeakPolarHBondContact O-CG 3.27Å; F333-K360 PolarHBondContact O-N 2.83Å; D334-K360 VanDerWaalsContact OD1-CD 3.24Å; D334-K360 WeakPolarHBondContact OD1-CD 3.41Å; D334-K360 IonicContact OD1-NZ 2.64Å; D334-K360 PolarHBondContact OD1-NZ 2.88Å; D334-K360 IonicContact OD2-NZ 3.3Å; D334-K360 PolarHBondContact OD2-NZ 2.82Å; K360-G362 PolarHBondContact O-N 3.15Å; K360-G363 WeakPolarHBondContact O-CA 3.48Å; K360-G363 PolarHBondContact O-N 3.5Å
361P98.5Very high98.7Very high83 Ų8331 Ų3154%0.53916%0.162SC..EExtended strand (participates in β ladder)trans-57.2132.5164.9-19.933.4000110N331 G363N331-P361 WeakPolarHBondContact OD1-CD 3.27Å; P361-G363 VanDerWaalsContact C-N 3.33Å
362G97.3Very high98.7Very high60 Ų6033.6 Ų33.662%0.61917%0.171SC*.EExtended strand (participates in β ladder)trans82.8-1.1-169.500000115.3K360 K474K360-G362 PolarHBondContact O-N 3.15Å; G362-K474 VanDerWaalsContact CA-O 3.29Å; G362-K474 WeakPolarHBondContact CA-O 3.19Å; G362-K474 PolarHBondContact N-O 3.19Å
363G98.4Very high98.6Very high5 Ų534.5 Ų34.55%0.05218%0.178CC..EExtended strand (participates in β ladder)trans-80.8168.4179.400000113.7D334 K360 P361 D473 K474D334-G363 CarbonylContact O-C 3.55Å; D334-G363 WeakPolarHBondContact O-CA 3.02Å; K360-G363 WeakPolarHBondContact O-CA 3.48Å; K360-G363 PolarHBondContact O-N 3.5Å; P361-G363 VanDerWaalsContact C-N 3.33Å; G363-D473 WeakPolarHBondContact O-CA 3.09Å; G363-K474 PolarHBondContact O-N 2.92Å
364K98.7Very high98.5Very high56 Ų5631.8 Ų31.824%0.24318%0.184CC..EExtended strand (participates in β ladder)trans-118.5146.9-179.8-81.9177.4173.852.90113.7D334 V335 I336 L359 A472 D473D334-K364 PolarHBondContact O-N 3.28Å; V335-K364 CarbonylContact C-O 3.53Å; V335-K364 VanDerWaalsContact CA-O 3.23Å; V335-K364 WeakPolarHBondContact CA-O 3.07Å; V335-K364 HydrophobicContact CG2-CB 4.44Å; I336-K364 PolarHBondContact N-O 2.74Å; L359-K364 VanDerWaalsContact CD1-O 3.25Å; L359-K364 WeakPolarHBondContact CD1-O 3.2Å; K364-A472 WeakPolarHBondContact CA-O 3.2Å; K364-D473 VanDerWaalsContact CE-OD1 3.29Å; K364-D473 WeakPolarHBondContact CE-OD1 3.38Å; K364-D473 WeakPolarHBondContact CG-OD1 3.38Å; K364-D473 IonicContact NZ-OD1 3.64Å; K364-D473 PolarHBondContact NZ-OD1 3.37Å
365V98.9Very high98.4Very high1 Ų136.2 Ų36.21%0.00620%0.201CC..EExtended strand (participates in β ladder)trans-109.6133.7161.166.30000109.2I336 F355 I367 L402 F407 I471 A472I336-V365 HydrophobicContact CB-CG2 4.27Å; I336-V365 HydrophobicContact CG2-CG2 4.34Å; I336-V365 CarbonylContact O-C 3.4Å; I336-V365 VanDerWaalsContact O-CA 3.29Å; I336-V365 WeakPolarHBondContact O-CA 3.23Å; F355-V365 HydrophobicContact CD2-CG2 4.2Å; V365-I367 HydrophobicContact CG2-CD1 3.88Å; V365-I367 HydrophobicContact CG2-CG1 3.99Å; V365-L402 HydrophobicContact CG1-CD2 4.38Å; V365-F407 HydrophobicContact CB-CE1 4.11Å; V365-F407 HydrophobicContact CB-CZ 4.34Å; V365-F407 HydrophobicContact CG1-CD1 3.88Å; V365-F407 HydrophobicContact CG1-CE1 3.71Å; V365-F407 HydrophobicContact CG1-CG 4.36Å; V365-F407 HydrophobicContact CG1-CZ 4.05Å; V365-I471 WeakPolarHBondContact O-CA 3.26Å; V365-A472 HydrophobicContact CG1-CB 3.76Å; V365-A472 PolarHBondContact N-O 3Å; V365-A472 PolarHBondContact O-N 3.29Å
366L98.9Very high98.3Very high1 Ų142.5 Ų42.51%0.00524%0.239CC..EExtended strand (participates in β ladder)trans-131.9122.8173.6-173.2151.6000109.7F258 K261 M262 I336 Y337 S338 L469 F470 I471F258-L366 HydrophobicContact CB-CD1 4.23Å; F258-L366 HydrophobicContact CB-CD2 3.93Å; F258-L366 VanDerWaalsContact O-CD1 3.31Å; F258-L366 WeakPolarHBondContact O-CD1 3.16Å; K261-L366 HydrophobicContact CB-CD1 4.14Å; M262-L366 HydrophobicContact CE-CB 4.17Å; M262-L366 HydrophobicContact CE-CD1 4.13Å; M262-L366 HydrophobicContact CE-CD2 4Å; M262-L366 HydrophobicContact CE-CG 4.32Å; M262-L366 HydrophobicContact CG-CB 4.49Å; M262-L366 HydrophobicContact CG-CD1 4.03Å; I336-L366 PolarHBondContact O-N 2.93Å; Y337-L366 WeakPolarHBondContact CA-O 3.22Å; Y337-L366 HydrophobicContact CD2-CD2 3.74Å; Y337-L366 HydrophobicContact CE2-CD2 3.73Å; S338-L366 PolarHBondContact N-O 3.24Å; L366-L469 HydrophobicContact CD2-CD1 4.08Å; L366-L469 HydrophobicContact CG-CD1 4.17Å; L366-F470 CarbonylContact C-O 3.57Å; L366-F470 WeakPolarHBondContact CA-O 3.44Å; L366-I471 HydrophobicContact CD1-CD1 4.06Å; L366-I471 HydrophobicContact CD1-CG1 4Å; L366-I471 HydrophobicContact CG-CG1 4.03Å
367I98.9Very high98.3Very high1 Ų141.6 Ų41.61%0.00524%0.239CC..EExtended strand (participates in β ladder)trans-130.1134.9-176.9-60.3163.4000108.9S338 I342 F352 F355 V365 D369 L402 F470S338-I367 WeakPolarHBondContact O-CA 3.35Å; I342-I367 HydrophobicContact CD1-CD1 3.83Å; I342-I367 HydrophobicContact CD1-CG1 4.1Å; I342-I367 HydrophobicContact CD1-CG2 4.01Å; F352-I367 HydrophobicContact CE1-CD1 3.94Å; F355-I367 HydrophobicContact CE2-CD1 4.43Å; V365-I367 HydrophobicContact CG2-CD1 3.88Å; V365-I367 HydrophobicContact CG2-CG1 3.99Å; I367-D369 HydrophobicContact CG2-CB 4.15Å; I367-L402 HydrophobicContact CD1-CD2 4.36Å; I367-F470 HydrophobicContact CB-CB 4.3Å; I367-F470 HydrophobicContact CB-CD2 4.32Å; I367-F470 HydrophobicContact CG2-CD2 4.24Å; I367-F470 PolarHBondContact N-O 3.11Å; I367-F470 PolarHBondContact O-N 3.48Å
368T98.9Very high98.2Very high0 Ų038.1 Ų38.10%023%0.229CC..EExtended strand (participates in β ladder)trans-107.2142.5152.170.50000109.6F258 S338 R339 D340 W467 G468 L469F258-T368 HydrophobicContact CD2-CG2 3.66Å; F258-T368 HydrophobicContact CE2-CG2 3.45Å; F258-T368 VanDerWaalsContact CE2-CG2 3.45Å; F258-T368 HydrophobicContact CG-CG2 4.43Å; F258-T368 HydrophobicContact CZ-CG2 4.06Å; S338-T368 PolarHBondContact O-N 3.22Å; R339-T368 VanDerWaalsContact CD-OG1 3.29Å; R339-T368 WeakPolarHBondContact CD-OG1 3.3Å; R339-T368 PolarHBondContact NE-OG1 2.98Å; D340-T368 PolarHBondContact N-O 3.48Å; D340-T368 WeakPolarHBondContact OD1-CB 3.37Å; D340-T368 PolarHBondContact OD1-OG1 3.26Å; T368-W467 HydrophobicContact CG2-CZ2 3.97Å; T368-G468 VanDerWaalsContact CA-O 3.25Å; T368-G468 WeakPolarHBondContact CA-O 3.43Å; T368-L469 HydrophobicContact CG2-CD1 3.87Å
369D98.8Very high98.1Very high0 Ų043.1 Ų43.10%026%0.263CS..EExtended strand (participates in β ladder)trans-151.7155.1179.7-149.31.6000112.8I342 L343 I367 Y398 G468 F470I342-D369 WeakPolarHBondContact CA-OD2 2.86Å; I342-D369 VanDerWaalsContact CB-OD2 3.24Å; I342-D369 WeakPolarHBondContact CB-OD2 3.39Å; L343-D369 WeakPolarHBondContact CB-OD1 3.37Å; L343-D369 VanDerWaalsContact N-CG 3.34Å; L343-D369 PolarHBondContact N-OD1 2.7Å; L343-D369 PolarHBondContact N-OD2 3.02Å; I367-D369 HydrophobicContact CG2-CB 4.15Å; D369-Y398 HydrophobicContact CB-CE2 3.93Å; D369-Y398 WeakPolarHBondContact OD2-CE2 3.5Å; D369-Y398 PolarHBondContact OD2-OH 2.65Å; D369-G468 PolarHBondContact N-O 3.31Å; D369-G468 PolarHBondContact O-N 3.05Å; D369-F470 HydrophobicContact CB-CE2 4.3Å
370Y98.6Very high97.9Very high19 Ų1950.9 Ų50.98%0.07530%0.299CS..EExtended strand (participates in β ladder)trans-72.6132.2170.8-7717.1000108.6D340 L343 L392 F419 W467D340-Y370 HydrophobicContact CB-CD1 4.45Å; D340-Y370 HydrophobicContact CB-CE1 4.34Å; L343-Y370 HydrophobicContact CD1-CD2 3.71Å; L343-Y370 HydrophobicContact CD1-CG 3.78Å; Y370-L392 WeakPolarHBondContact O-CD2 3.45Å; Y370-F419 AromaticContact CE1-CE2 3.97Å; Y370-F419 HydrophobicContact CE1-CE2 3.97Å; Y370-F419 AromaticContact CE1-CZ 3.84Å; Y370-F419 HydrophobicContact CE1-CZ 3.84Å; Y370-F419 HydrophobicContact CE2-CZ 4.37Å; Y370-F419 AromaticContact CZ-CZ 3.65Å; Y370-F419 WeakPolarHBondContact OH-CZ 3.07Å; Y370-W467 AromaticContact CD1-CD1 3.82Å
371C98.8Very high97.7Very high0 Ų048 Ų480%029%0.286CS..EExtended strand (participates in β ladder)trans-124.3177.1-179.9-70.70000109.2H393 V395 K466C371-H393 CarbonylContact C-O 3.58Å; C371-H393 VanDerWaalsContact CA-O 3.27Å; C371-H393 WeakPolarHBondContact CA-O 3.3Å; C371-H393 VanDerWaalsContact CB-O 3.23Å; C371-H393 WeakPolarHBondContact CB-O 3.23Å; C371-V395 HydrophobicContact CB-CG2 3.96Å; C371-K466 HydrophobicContact CB-CB 3.7Å; C371-K466 PolarHBondContact N-O 2.79Å; C371-K466 PolarHBondContact O-N 2.97Å
372R98.6Very high97.7Very high59 Ų5946 Ų4622%0.22328%0.277CS..EExtended strand (participates in β ladder)trans-127.3167.8169.960.1169.1-176.189.40.3111.1E375 F381 L392 H393 D394 E464 K466R372-E375 PolarHBondContact NH1-O 3.01Å; R372-F381 HydrophobicContact CB-CE1 3.85Å; R372-F381 HydrophobicContact CB-CZ 4.27Å; R372-L392 HydrophobicContact CB-CB 4.2Å; R372-L392 WeakPolarHBondContact CD-O 3.16Å; R372-L392 HydrophobicContact CG-CB 3.98Å; R372-L392 PolarHBondContact NE-O 2.53Å; R372-H393 PolarHBondContact N-O 2.9Å; R372-D394 WeakPolarHBondContact O-CA 3.29Å; R372-D394 WeakPolarHBondContact O-CB 3.35Å; R372-E464 CarbonylContact C-O 3.54Å; R372-E464 VanDerWaalsContact CA-O 3.27Å; R372-E464 WeakPolarHBondContact CA-O 3.49Å; R372-K466 VanDerWaalsContact C-CG 3.46Å
373S98Very high97.6Very high20 Ų2048.2 Ų48.214%0.1427%0.271CS..  trans-63.6159.1165.179.50000111E375 G463 E464S373-E375 PolarHBondContact O-N 2.64Å; S373-E375 WeakPolarHBondContact OG-CB 3.46Å; S373-E375 PolarHBondContact OG-N 2.76Å; S373-G463 VanDerWaalsContact CB-O 3.29Å; S373-G463 WeakPolarHBondContact CB-O 3.49Å; S373-E464 PolarHBondContact N-O 3.46Å
374A97.3Very high97.3Very high75 Ų7549.6 Ų49.662%0.6228%0.275SS*.SBendtrans-64.7-18.4172.300000112.6D394A374-D394 HydrophobicContact CB-CB 4.31Å
375E96.4Very high97.1Very high141 Ų14148.2 Ų48.266%0.65927%0.27SS*.SBendtrans-68.3161.7176.7-54.6-57.5143.300112.1R372 S373R372-E375 PolarHBondContact NH1-O 3.01Å; S373-E375 PolarHBondContact O-N 2.64Å; S373-E375 WeakPolarHBondContact OG-CB 3.46Å; S373-E375 PolarHBondContact OG-N 2.76Å
376T96.4Very high96.8Very high131 Ų13155.7 Ų55.780%0.80430%0.303SS*.PPolyproline II helixtrans-68.8129.8174.6-58.70000109.5
377P97.5Very high96.3Very high39 Ų3961.2 Ų61.225%0.25333%0.328SS..PPolyproline II helixtrans-55.5140.5176-26.535000112.4F381 A382 I385P377-F381 HydrophobicContact CB-CB 4.27Å; P377-F381 HydrophobicContact CB-CD1 3.88Å; P377-F381 HydrophobicContact CB-CG 4.37Å; P377-F381 HydrophobicContact CG-CD1 4.43Å; P377-A382 HydrophobicContact CB-CB 4.3Å; P377-I385 HydrophobicContact CB-CD1 4.38Å; P377-I385 HydrophobicContact CG-CD1 4.19Å
378S97.1Very high95.7Very high36 Ų3664 Ų6425%0.25234%0.339SS..PPolyproline II helixtrans-58.3158.4166.164.40000110.8E380 F381 A382 E464S378-E380 PolarHBondContact O-N 3Å; S378-F381 PolarHBondContact O-N 3.32Å; S378-F381 VanDerWaalsContact O-N 3.15Å; S378-F381 WeakPolarHBondContact OG-CB 3.14Å; S378-F381 PolarHBondContact OG-N 3.23Å; S378-A382 WeakPolarHBondContact O-CB 3.21Å; S378-A382 PolarHBondContact O-N 2.84Å; S378-E464 WeakPolarHBondContact CB-OE1 3.49Å; S378-E464 PolarHBondContact N-OE1 3.04Å; S378-E464 PolarHBondContact OG-OE1 3Å; S378-E464 PolarHBondContact OG-OE2 3.46Å
379P96.9Very high95.3Very high115 Ų11565.3 Ų65.375%0.74735%0.353SS*.Hα-helixtrans-54.4-37.3176.6-27.535.9000113.4E383P379-E383 PolarHBondContact O-N 3.43Å
380E93.5Very high95.1Very high163 Ų16366.2 Ų66.276%0.76236%0.356SS*.Hα-helixtrans-68.6-44.6178-66.1176.2-171.700111.7S378 E383 Y384S378-E380 PolarHBondContact O-N 3Å; E380-E383 PolarHBondContact O-N 2.97Å; E380-Y384 PolarHBondContact O-N 2.94Å
381F96.2Very high95Very high2 Ų267.1 Ų67.11%0.00936%0.363CS..Hα-helixtrans-68.2-37.2177.1-171.8-150.9000111.9R372 P377 S378 Y384 I385 L392 R459 E464 Q465R372-F381 HydrophobicContact CB-CE1 3.85Å; R372-F381 HydrophobicContact CB-CZ 4.27Å; P377-F381 HydrophobicContact CB-CB 4.27Å; P377-F381 HydrophobicContact CB-CD1 3.88Å; P377-F381 HydrophobicContact CB-CG 4.37Å; P377-F381 HydrophobicContact CG-CD1 4.43Å; S378-F381 PolarHBondContact O-N 3.32Å; S378-F381 VanDerWaalsContact O-N 3.15Å; S378-F381 WeakPolarHBondContact OG-CB 3.14Å; S378-F381 PolarHBondContact OG-N 3.23Å; F381-Y384 AromaticContact CD2-CD1 3.81Å; F381-Y384 HydrophobicContact CD2-CD1 3.81Å; F381-Y384 AromaticContact CE2-CD1 3.78Å; F381-Y384 HydrophobicContact CE2-CD1 3.78Å; F381-Y384 HydrophobicContact CE2-CE1 4.18Å; F381-Y384 WeakPolarHBondContact O-CB 3.32Å; F381-Y384 PolarHBondContact O-N 3.37Å; F381-I385 HydrophobicContact CD1-CD1 4.13Å; F381-I385 HydrophobicContact CD2-CD1 4.07Å; F381-I385 HydrophobicContact CD2-CG1 4.05Å; F381-I385 HydrophobicContact CE1-CD1 4.06Å; F381-I385 HydrophobicContact CE2-CD1 4.01Å; F381-I385 HydrophobicContact CE2-CG1 3.92Å; F381-I385 HydrophobicContact CG-CD1 4.14Å; F381-I385 HydrophobicContact CZ-CD1 4.01Å; F381-I385 HydrophobicContact CZ-CG1 4.34Å; F381-I385 WeakPolarHBondContact O-CG1 3.47Å; F381-I385 PolarHBondContact O-N 3.31Å; F381-L392 HydrophobicContact CE2-CD1 4.06Å; F381-L392 HydrophobicContact CZ-CD1 3.67Å; F381-R459 VanDerWaalsContact CD2-CD 3.41Å; F381-E464 HydrophobicContact CD1-CB 3.74Å; F381-E464 HydrophobicContact CE1-CB 4Å; F381-E464 HydrophobicContact CG-CB 4.49Å; F381-Q465 HydrophobicContact CE2-CB 4.19Å; F381-Q465 HydrophobicContact CE2-CG 4.45Å; F381-Q465 HydrophobicContact CZ-CB 3.89Å; F381-Q465 HydrophobicContact CZ-CG 4.26Å
382A96.8Very high95Very high42 Ų4267.6 Ų67.635%0.34737%0.365SS..Hα-helixtrans-61.8-41.9173.900000112.2P377 S378 I385 K386P377-A382 HydrophobicContact CB-CB 4.3Å; S378-A382 WeakPolarHBondContact O-CB 3.21Å; S378-A382 PolarHBondContact O-N 2.84Å; A382-I385 PolarHBondContact O-N 2.78Å; A382-K386 WeakPolarHBondContact O-CB 3.47Å; A382-K386 PolarHBondContact O-N 2.69Å
383E95.1Very high95Very high107 Ų10767 Ų6750%0.537%0.365SS..Hα-helixtrans-66.4-39.8175.8-173.159.6-157.800111.5P379 E380 K386 Q387P379-E383 PolarHBondContact O-N 3.43Å; E380-E383 PolarHBondContact O-N 2.97Å; E383-K386 PolarHBondContact O-N 2.95Å; E383-Q387 VanDerWaalsContact O-CB 3.29Å; E383-Q387 WeakPolarHBondContact O-CB 3.23Å; E383-Q387 PolarHBondContact O-N 2.64Å
384Y92.9Very high95.1Very high34 Ų3467.9 Ų67.913%0.13337%0.368CS..Hα-helixtrans-59-48.6172.8168.5-101.7000112.2E380 F381 K386 Q387 R388 Y390E380-Y384 PolarHBondContact O-N 2.94Å; F381-Y384 AromaticContact CD2-CD1 3.81Å; F381-Y384 HydrophobicContact CD2-CD1 3.81Å; F381-Y384 AromaticContact CE2-CD1 3.78Å; F381-Y384 HydrophobicContact CE2-CD1 3.78Å; F381-Y384 HydrophobicContact CE2-CE1 4.18Å; F381-Y384 WeakPolarHBondContact O-CB 3.32Å; F381-Y384 PolarHBondContact O-N 3.37Å; Y384-K386 VanDerWaalsContact C-N 3.32Å; Y384-K386 PolarHBondContact O-N 3.18Å; Y384-Q387 PolarHBondContact O-N 3.19Å; Y384-R388 HydrophobicContact CD2-CG 4.17Å; Y384-R388 HydrophobicContact CE2-CG 3.82Å; Y384-R388 WeakPolarHBondContact O-CB 3.27Å; Y384-R388 WeakPolarHBondContact O-CG 3.27Å; Y384-R388 PolarHBondContact O-N 3.05Å; Y384-Y390 HydrophobicContact CE1-CD2 4.1Å; Y384-Y390 AromaticContact CE1-CE2 3.98Å; Y384-Y390 HydrophobicContact CE1-CE2 3.98Å; Y384-Y390 AromaticContact CZ-CE2 3.86Å; Y384-Y390 WeakPolarHBondContact OH-CE2 2.83Å
385I94.9Very high95.1Very high26 Ų2664.7 Ų64.713%0.13334%0.34CS..Hα-helixtrans-57-48.9177.6-70.8166.3000109.8P377 F381 A382 R388 G389 Y390 L392P377-I385 HydrophobicContact CB-CD1 4.38Å; P377-I385 HydrophobicContact CG-CD1 4.19Å; F381-I385 HydrophobicContact CD1-CD1 4.13Å; F381-I385 HydrophobicContact CD2-CD1 4.07Å; F381-I385 HydrophobicContact CD2-CG1 4.05Å; F381-I385 HydrophobicContact CE1-CD1 4.06Å; F381-I385 HydrophobicContact CE2-CD1 4.01Å; F381-I385 HydrophobicContact CE2-CG1 3.92Å; F381-I385 HydrophobicContact CG-CD1 4.14Å; F381-I385 HydrophobicContact CZ-CD1 4.01Å; F381-I385 HydrophobicContact CZ-CG1 4.34Å; F381-I385 WeakPolarHBondContact O-CG1 3.47Å; F381-I385 PolarHBondContact O-N 3.31Å; A382-I385 PolarHBondContact O-N 2.78Å; I385-R388 PolarHBondContact O-N 3.42Å; I385-G389 PolarHBondContact O-N 3.33Å; I385-Y390 WeakPolarHBondContact CG2-O 3.14Å; I385-Y390 PolarHBondContact O-N 2.88Å; I385-L392 HydrophobicContact CD1-CD1 3.88Å; I385-L392 HydrophobicContact CD1-CG 4.49Å; I385-L392 HydrophobicContact CG1-CD1 3.71Å; I385-L392 HydrophobicContact CG1-CG 4.33Å
386K92.7Very high95.2Very high158 Ų15864 Ų6469%0.68734%0.337SS*.Hα-helixtrans-63.5-46.3-179.8-174.5-171.9177-165.40112.4A382 E383 Y384 R388 G389A382-K386 WeakPolarHBondContact O-CB 3.47Å; A382-K386 PolarHBondContact O-N 2.69Å; E383-K386 PolarHBondContact O-N 2.95Å; Y384-K386 VanDerWaalsContact C-N 3.32Å; Y384-K386 PolarHBondContact O-N 3.18Å; K386-R388 PolarHBondContact O-N 3.31Å; K386-G389 PolarHBondContact O-N 2.91Å
387Q88.3Confident95.3Very high117 Ų11759.4 Ų59.455%0.54731%0.313SS..Hα-helixtrans-61.8-33.1179.6-169.3-163.311.500111.8E383 Y384E383-Q387 VanDerWaalsContact O-CB 3.29Å; E383-Q387 WeakPolarHBondContact O-CB 3.23Å; E383-Q387 PolarHBondContact O-N 2.64Å; Y384-Q387 PolarHBondContact O-N 3.19Å
388R87.2Confident95.4Very high59 Ų5957.6 Ų57.622%0.22330%0.301CS..Hα-helixtrans-90.2-9.7179.1-68.1-67.6-178-86.40.2114.1Y384 I385 K386 Y390Y384-R388 HydrophobicContact CD2-CG 4.17Å; Y384-R388 HydrophobicContact CE2-CG 3.82Å; Y384-R388 WeakPolarHBondContact O-CB 3.27Å; Y384-R388 WeakPolarHBondContact O-CG 3.27Å; Y384-R388 PolarHBondContact O-N 3.05Å; I385-R388 PolarHBondContact O-N 3.42Å; K386-R388 PolarHBondContact O-N 3.31Å; R388-Y390 HydrophobicContact CB-CD1 3.7Å; R388-Y390 HydrophobicContact CB-CD2 3.75Å; R388-Y390 HydrophobicContact CB-CE1 3.56Å; R388-Y390 HydrophobicContact CB-CE2 3.66Å; R388-Y390 HydrophobicContact CB-CG 3.79Å; R388-Y390 HydrophobicContact CG-CD2 4.44Å; R388-Y390 HydrophobicContact CG-CE1 4.39Å; R388-Y390 HydrophobicContact CG-CE2 3.96Å; R388-Y390 WeakPolarHBondContact O-CD1 3.38Å; R388-Y390 PolarHBondContact O-N 2.98Å
389G89Confident95.5Very high29 Ų2956 Ų5630%0.29929%0.29SS..THydrogen-bonded Turntrans67.323.5-176.100000113.6Q346 I385 K386Q346-G389 PolarHBondContact NE2-O 2.87Å; I385-G389 PolarHBondContact O-N 3.33Å; K386-G389 PolarHBondContact O-N 2.91Å
390Y94.9Very high95.6Very high19 Ų1954.4 Ų54.48%0.07527%0.272CS..  trans-77.8143.7-176.7-63.8-16.7000111.9Q229 L343 H344 Y384 I385 R388 L392Q229-Y390 PolarHBondContact NE2-OH 3.42Å; L343-Y390 HydrophobicContact CB-CG 4.46Å; L343-Y390 HydrophobicContact CD1-CD1 3.93Å; L343-Y390 HydrophobicContact CD1-CD2 3.86Å; L343-Y390 HydrophobicContact CD1-CE1 3.73Å; L343-Y390 HydrophobicContact CD1-CE2 3.62Å; L343-Y390 HydrophobicContact CD1-CG 4.01Å; L343-Y390 HydrophobicContact CG-CD1 3.82Å; L343-Y390 HydrophobicContact CG-CD2 4.49Å; L343-Y390 HydrophobicContact CG-CE1 3.92Å; L343-Y390 HydrophobicContact CG-CG 4.13Å; L343-Y390 CarbonylContact O-C 3.43Å; L343-Y390 WeakPolarHBondContact O-CA 3.41Å; H344-Y390 AromaticContact CE1-CE1 3.49Å; H344-Y390 VanDerWaalsContact CE1-CE1 3.49Å; H344-Y390 WeakPolarHBondContact CE1-CE1 3.23Å; H344-Y390 AromaticContact ND1-CE1 3.78Å; Y384-Y390 HydrophobicContact CE1-CD2 4.1Å; Y384-Y390 AromaticContact CE1-CE2 3.98Å; Y384-Y390 HydrophobicContact CE1-CE2 3.98Å; Y384-Y390 AromaticContact CZ-CE2 3.86Å; Y384-Y390 WeakPolarHBondContact OH-CE2 2.83Å; I385-Y390 WeakPolarHBondContact CG2-O 3.14Å; I385-Y390 PolarHBondContact O-N 2.88Å; R388-Y390 HydrophobicContact CB-CD1 3.7Å; R388-Y390 HydrophobicContact CB-CD2 3.75Å; R388-Y390 HydrophobicContact CB-CE1 3.56Å; R388-Y390 HydrophobicContact CB-CE2 3.66Å; R388-Y390 HydrophobicContact CB-CG 3.79Å; R388-Y390 HydrophobicContact CG-CD2 4.44Å; R388-Y390 HydrophobicContact CG-CE1 4.39Å; R388-Y390 HydrophobicContact CG-CE2 3.96Å; R388-Y390 WeakPolarHBondContact O-CD1 3.38Å; R388-Y390 PolarHBondContact O-N 2.98Å; Y390-L392 HydrophobicContact CD2-CD2 4.46Å
391D97.6Very high95.8Very high38 Ų3847.9 Ų47.920%0.20324%0.242CC..  trans-108.7107.216617664.5000108.3L343 K348 H393L343-D391 PolarHBondContact O-N 2.85Å; K348-D391 WeakPolarHBondContact CE-O 3.33Å; K348-D391 PolarHBondContact NZ-O 2.75Å; K348-D391 IonicContact NZ-OD2 3.14Å; K348-D391 PolarHBondContact NZ-OD2 3.42Å; D391-H393 IonicContact OD1-NE2 3.21Å; D391-H393 PolarHBondContact OD1-NE2 3.48Å; D391-H393 IonicContact OD2-CD2 3.04Å; D391-H393 PolarHBondContact OD2-CD2 2.96Å; D391-H393 IonicContact OD2-CE1 3.6Å; D391-H393 IonicContact OD2-NE2 2.56Å; D391-H393 PolarHBondContact OD2-NE2 2.81Å
392L98.4Very high96Very high10 Ų1047.8 Ų47.85%0.05224%0.242CC..  trans-113.4132.7-173.3-56.2-172.7000111.7L343 Y370 R372 F381 I385 Y390L343-L392 HydrophobicContact CB-CD2 3.89Å; Y370-L392 WeakPolarHBondContact O-CD2 3.45Å; R372-L392 HydrophobicContact CB-CB 4.2Å; R372-L392 WeakPolarHBondContact CD-O 3.16Å; R372-L392 HydrophobicContact CG-CB 3.98Å; R372-L392 PolarHBondContact NE-O 2.53Å; F381-L392 HydrophobicContact CE2-CD1 4.06Å; F381-L392 HydrophobicContact CZ-CD1 3.67Å; I385-L392 HydrophobicContact CD1-CD1 3.88Å; I385-L392 HydrophobicContact CD1-CG 4.49Å; I385-L392 HydrophobicContact CG1-CD1 3.71Å; I385-L392 HydrophobicContact CG1-CG 4.33Å; Y390-L392 HydrophobicContact CD2-CD2 4.46Å
393H98.7Very high96.1Very high47 Ų4750.5 Ų50.522%0.21825%0.246CC..  trans-120.1162.5175.9-62.4-88.4000110.4C371 R372 D391 M401C371-H393 CarbonylContact C-O 3.58Å; C371-H393 VanDerWaalsContact CA-O 3.27Å; C371-H393 WeakPolarHBondContact CA-O 3.3Å; C371-H393 VanDerWaalsContact CB-O 3.23Å; C371-H393 WeakPolarHBondContact CB-O 3.23Å; R372-H393 PolarHBondContact N-O 2.9Å; D391-H393 IonicContact OD1-NE2 3.21Å; D391-H393 PolarHBondContact OD1-NE2 3.48Å; D391-H393 IonicContact OD2-CD2 3.04Å; D391-H393 PolarHBondContact OD2-CD2 2.96Å; D391-H393 IonicContact OD2-CE1 3.6Å; D391-H393 IonicContact OD2-NE2 2.56Å; D391-H393 PolarHBondContact OD2-NE2 2.81Å; H393-M401 HydrophobicContact CB-CE 4.08Å
394D98.7Very high96.2Very high37 Ų3751.1 Ų51.120%0.19825%0.252CS..  trans-73.3156.3167.375.687.6000111.3R372 A374 Q396 A397 Y398R372-D394 WeakPolarHBondContact O-CA 3.29Å; R372-D394 WeakPolarHBondContact O-CB 3.35Å; A374-D394 HydrophobicContact CB-CB 4.31Å; D394-Q396 PolarHBondContact O-N 2.72Å; D394-Q396 WeakPolarHBondContact OD1-CA 3.33Å; D394-Q396 WeakPolarHBondContact OD1-CB 3.45Å; D394-Q396 PolarHBondContact OD1-N 3.08Å; D394-A397 PolarHBondContact O-N 3.43Å; D394-A397 PolarHBondContact OD1-N 3.33Å; D394-A397 WeakPolarHBondContact OD2-CB 2.95Å; D394-Y398 WeakPolarHBondContact O-CB 3.41Å; D394-Y398 PolarHBondContact O-N 3.07Å
395V98.8Very high96.5Very high8 Ų850 Ų505%0.04825%0.251CS..Hα-helixtrans-58.9-35.8-174.5-1790000111.8C371 G399 A412 D414 F470C371-V395 HydrophobicContact CB-CG2 3.96Å; V395-G399 PolarHBondContact O-N 3.31Å; V395-A412 HydrophobicContact CG1-CB 4.17Å; V395-D414 HydrophobicContact CG2-CB 4.21Å; V395-F470 HydrophobicContact CG1-CE1 3.76Å; V395-F470 HydrophobicContact CG1-CZ 4.08Å; V395-F470 WeakPolarHBondContact O-CE1 3.39Å
396Q98.6Very high96.7Very high128 Ų12850.4 Ų50.460%0.59826%0.261SS*.Hα-helixtrans-74.5-44-178.7-61.4-58.1-56.300111.3D394 Y398 G399 Q400D394-Q396 PolarHBondContact O-N 2.72Å; D394-Q396 WeakPolarHBondContact OD1-CA 3.33Å; D394-Q396 WeakPolarHBondContact OD1-CB 3.45Å; D394-Q396 PolarHBondContact OD1-N 3.08Å; Q396-Y398 VanDerWaalsContact C-N 3.29Å; Q396-Y398 PolarHBondContact O-N 3.24Å; Q396-G399 PolarHBondContact O-N 3.37Å; Q396-Q400 PolarHBondContact O-N 2.88Å
397A98.6Very high97Very high34 Ų3443.2 Ų43.228%0.28123%0.23SC..Hα-helixtrans-60.8-39.8173.900000111.8D394 Q400 M401D394-A397 PolarHBondContact O-N 3.43Å; D394-A397 PolarHBondContact OD1-N 3.33Å; D394-A397 WeakPolarHBondContact OD2-CB 2.95Å; A397-Q400 WeakPolarHBondContact O-CB 3.49Å; A397-Q400 PolarHBondContact O-N 2.91Å; A397-Q400 VanDerWaalsContact O-N 3.16Å; A397-M401 WeakPolarHBondContact O-CG 3.41Å; A397-M401 PolarHBondContact O-N 2.6Å
398Y98.8Very high97.5Very high1 Ų141 Ų410%0.00422%0.221CC..Hα-helixtrans-60.6-48.7175.4-158-60.9000112I342 K348 F352 D369 D394 Q396 Q400 M401 L402 F470I342-Y398 WeakPolarHBondContact CB-OH 3.33Å; I342-Y398 WeakPolarHBondContact CG2-OH 3.26Å; K348-Y398 HydrophobicContact CD-CD2 4.4Å; K348-Y398 HydrophobicContact CD-CE2 3.86Å; F352-Y398 HydrophobicContact CE1-CE1 4.27Å; F352-Y398 HydrophobicContact CE2-CD1 4.26Å; F352-Y398 AromaticContact CE2-CE1 3.89Å; F352-Y398 HydrophobicContact CE2-CE1 3.89Å; F352-Y398 HydrophobicContact CZ-CD1 4.14Å; F352-Y398 AromaticContact CZ-CE1 3.34Å; F352-Y398 HydrophobicContact CZ-CE1 3.34Å; F352-Y398 AromaticContact CZ-CZ 3.64Å; D369-Y398 HydrophobicContact CB-CE2 3.93Å; D369-Y398 WeakPolarHBondContact OD2-CE2 3.5Å; D369-Y398 PolarHBondContact OD2-OH 2.65Å; D394-Y398 WeakPolarHBondContact O-CB 3.41Å; D394-Y398 PolarHBondContact O-N 3.07Å; Q396-Y398 VanDerWaalsContact C-N 3.29Å; Q396-Y398 PolarHBondContact O-N 3.24Å; Y398-Q400 VanDerWaalsContact C-N 3.26Å; Y398-Q400 PolarHBondContact O-N 3.18Å; Y398-M401 HydrophobicContact CD2-CE 4.37Å; Y398-M401 HydrophobicContact CG-CE 4.26Å; Y398-M401 WeakPolarHBondContact O-CB 3.43Å; Y398-M401 PolarHBondContact O-N 3.24Å; Y398-L402 PolarHBondContact O-N 2.92Å; Y398-F470 AromaticContact CD1-CD1 3.88Å; Y398-F470 HydrophobicContact CD1-CD1 3.88Å; Y398-F470 AromaticContact CD1-CD2 3.78Å; Y398-F470 HydrophobicContact CD1-CD2 3.78Å; Y398-F470 AromaticContact CD1-CE1 3.78Å; Y398-F470 HydrophobicContact CD1-CE1 3.78Å; Y398-F470 AromaticContact CD1-CE2 3.66Å; Y398-F470 HydrophobicContact CD1-CE2 3.66Å; Y398-F470 AromaticContact CD1-CG 3.88Å; Y398-F470 HydrophobicContact CD1-CG 3.88Å; Y398-F470 AromaticContact CD1-CZ 3.67Å; Y398-F470 HydrophobicContact CD1-CZ 3.67Å; Y398-F470 HydrophobicContact CD2-CE2 4.04Å; Y398-F470 AromaticContact CD2-CZ 3.99Å; Y398-F470 HydrophobicContact CD2-CZ 3.99Å; Y398-F470 AromaticContact CE1-CD2 3.74Å; Y398-F470 HydrophobicContact CE1-CD2 3.74Å; Y398-F470 AromaticContact CE1-CE2 3.86Å; Y398-F470 HydrophobicContact CE1-CE2 3.86Å; Y398-F470 HydrophobicContact CE1-CG 4.12Å; Y398-F470 HydrophobicContact CE1-CZ 4.34Å; Y398-F470 HydrophobicContact CE2-CE2 4.21Å; Y398-F470 HydrophobicContact CG-CD1 4.4Å; Y398-F470 HydrophobicContact CG-CD2 4.36Å; Y398-F470 AromaticContact CG-CE1 3.82Å; Y398-F470 HydrophobicContact CG-CE1 3.82Å; Y398-F470 AromaticContact CG-CE2 3.77Å; Y398-F470 HydrophobicContact CG-CE2 3.77Å; Y398-F470 AromaticContact CG-CZ 3.46Å; Y398-F470 HydrophobicContact CG-CZ 3.46Å; Y398-F470 VanDerWaalsContact CG-CZ 3.46Å
399G98.8Very high98Very high2 Ų242.9 Ų42.92%0.02124%0.236CC..Hα-helixtrans-59.4-36.7173.500000112.7V395 Q396 L402 K403V395-G399 PolarHBondContact O-N 3.31Å; Q396-G399 PolarHBondContact O-N 3.37Å; G399-L402 PolarHBondContact O-N 3.23Å; G399-K403 PolarHBondContact O-N 3.29Å
400Q98.8Very high98.4Very high82 Ų8242.6 Ų42.638%0.38323%0.228SC..Hα-helixtrans-66.8-38.2176.4-168.458.646.900112.2Q396 A397 Y398 L402 K403 D404Q396-Q400 PolarHBondContact O-N 2.88Å; A397-Q400 WeakPolarHBondContact O-CB 3.49Å; A397-Q400 PolarHBondContact O-N 2.91Å; A397-Q400 VanDerWaalsContact O-N 3.16Å; Y398-Q400 VanDerWaalsContact C-N 3.26Å; Y398-Q400 PolarHBondContact O-N 3.18Å; Q400-L402 VanDerWaalsContact C-N 3.26Å; Q400-L402 PolarHBondContact O-N 3.07Å; Q400-K403 WeakPolarHBondContact O-CB 3.49Å; Q400-K403 PolarHBondContact O-N 2.86Å; Q400-K403 VanDerWaalsContact O-N 3.09Å; Q400-D404 PolarHBondContact NE2-OD1 2.74Å; Q400-D404 PolarHBondContact O-N 3.21Å
401M98.9Very high98.6Very high25 Ų2545.2 Ų45.212%0.12324%0.243CC..Hα-helixtrans-60-35.3175-69.9-171.5-77.900112.6K348 P349 F352 H393 A397 Y398 A405K348-M401 HydrophobicContact CB-CE 4.39Å; K348-M401 HydrophobicContact CB-SD 4.21Å; K348-M401 HydrophobicContact CD-CE 4.09Å; P349-M401 HydrophobicContact CG-CG 4.31Å; P349-M401 HydrophobicContact CG-SD 3.77Å; F352-M401 HydrophobicContact CD2-CB 3.88Å; F352-M401 HydrophobicContact CE2-CB 3.83Å; H393-M401 HydrophobicContact CB-CE 4.08Å; A397-M401 WeakPolarHBondContact O-CG 3.41Å; A397-M401 PolarHBondContact O-N 2.6Å; Y398-M401 HydrophobicContact CD2-CE 4.37Å; Y398-M401 HydrophobicContact CG-CE 4.26Å; Y398-M401 WeakPolarHBondContact O-CB 3.43Å; Y398-M401 PolarHBondContact O-N 3.24Å; M401-A405 WeakPolarHBondContact O-CB 3.19Å; M401-A405 PolarHBondContact O-N 3.21Å; M401-A405 VanDerWaalsContact O-N 3.12Å
402L98.9Very high98.7Very high0 Ų044.7 Ų44.70%024%0.244CC..Hα-helixtrans-66.8-44.2172.9-73.1166.1000111.6F352 V365 I367 Y398 G399 Q400 D404 A405 G406 F407 V410 F470F352-L402 HydrophobicContact CB-CD2 4.32Å; F352-L402 HydrophobicContact CD1-CD2 4.02Å; F352-L402 HydrophobicContact CD2-CD2 3.92Å; F352-L402 HydrophobicContact CD2-CG 4.15Å; F352-L402 HydrophobicContact CE1-CD2 4.34Å; F352-L402 HydrophobicContact CE2-CD2 4.25Å; F352-L402 HydrophobicContact CE2-CG 4.22Å; F352-L402 HydrophobicContact CG-CD2 3.82Å; F352-L402 HydrophobicContact CZ-CD2 4.46Å; V365-L402 HydrophobicContact CG1-CD2 4.38Å; I367-L402 HydrophobicContact CD1-CD2 4.36Å; Y398-L402 PolarHBondContact O-N 2.92Å; G399-L402 PolarHBondContact O-N 3.23Å; Q400-L402 VanDerWaalsContact C-N 3.26Å; Q400-L402 PolarHBondContact O-N 3.07Å; L402-D404 VanDerWaalsContact C-N 3.33Å; L402-D404 PolarHBondContact O-N 3.44Å; L402-A405 PolarHBondContact O-N 3.46Å; L402-G406 PolarHBondContact O-N 2.61Å; L402-F407 HydrophobicContact CB-CD2 4.33Å; L402-F407 HydrophobicContact CD2-CD2 3.9Å; L402-F407 HydrophobicContact CD2-CE2 4.02Å; L402-F407 WeakPolarHBondContact O-CB 3.37Å; L402-F407 WeakPolarHBondContact O-CD2 3.12Å; L402-F407 PolarHBondContact O-N 3.38Å; L402-V410 HydrophobicContact CB-CG1 4.07Å; L402-V410 HydrophobicContact CB-CG2 4.2Å; L402-V410 HydrophobicContact CD1-CG1 4.21Å; L402-F470 HydrophobicContact CD1-CB 3.74Å; L402-F470 HydrophobicContact CD1-CG 4.33Å
403K98.8Very high98.7Very high100 Ų10047.1 Ų47.144%0.43526%0.255SS..Hα-helixtrans-59-45.6175.4-66173.7-175.5168.50111.3G399 Q400 A405 G406 V410G399-K403 PolarHBondContact O-N 3.29Å; Q400-K403 WeakPolarHBondContact O-CB 3.49Å; Q400-K403 PolarHBondContact O-N 2.86Å; Q400-K403 VanDerWaalsContact O-N 3.09Å; K403-A405 PolarHBondContact O-N 2.8Å; K403-G406 PolarHBondContact O-N 3.31Å; K403-V410 HydrophobicContact CB-CG2 4.42Å; K403-V410 HydrophobicContact CG-CB 3.81Å; K403-V410 HydrophobicContact CG-CG1 4.4Å; K403-V410 HydrophobicContact CG-CG2 3.46Å; K403-V410 VanDerWaalsContact CG-CG2 3.46Å
404D98.7Very high98.7Very high119 Ų11948.9 Ų48.964%0.63627%0.266SS*.Hα-helixtrans-66.8-25.1-179-64.2-11.4000112.4Q400 L402 G406Q400-D404 PolarHBondContact NE2-OD1 2.74Å; Q400-D404 PolarHBondContact O-N 3.21Å; L402-D404 VanDerWaalsContact C-N 3.33Å; L402-D404 PolarHBondContact O-N 3.44Å; D404-G406 PolarHBondContact O-N 2.87Å
405A98.7Very high98.7Very high12 Ų1249.4 Ų49.410%0.09927%0.265CS..THydrogen-bonded Turntrans-76.3-9.5172.600000113.7F352 R353 M401 L402 K403 F407F352-A405 HydrophobicContact CB-CB 3.61Å; R353-A405 HydrophobicContact CG-CB 4.17Å; M401-A405 WeakPolarHBondContact O-CB 3.19Å; M401-A405 PolarHBondContact O-N 3.21Å; M401-A405 VanDerWaalsContact O-N 3.12Å; L402-A405 PolarHBondContact O-N 3.46Å; K403-A405 PolarHBondContact O-N 2.8Å; A405-F407 HydrophobicContact CB-CD2 4.16Å; A405-F407 HydrophobicContact CB-CE2 4.29Å
406G98.6Very high98.7Very high34 Ų3449.3 Ų49.335%0.35126%0.264SS..THydrogen-bonded Turntrans109.12.1175.800000115.1F356 L402 K403 D404F356-G406 VanDerWaalsContact CE2-C 3.41Å; F356-G406 WeakPolarHBondContact CE2-O 3.35Å; L402-G406 PolarHBondContact O-N 2.61Å; K403-G406 PolarHBondContact O-N 3.31Å; D404-G406 PolarHBondContact O-N 2.87Å
407F98.8Very high98.7Very high7 Ų749.7 Ų49.73%0.03127%0.271CS..  trans-73.3144.4178.9-68-80.6000112.6F352 F355 F356 L359 V365 L402 A405 V410 A472F352-F407 HydrophobicContact CB-CE2 4.45Å; F352-F407 WeakPolarHBondContact O-CE2 3.44Å; F355-F407 HydrophobicContact CB-CE2 4.46Å; F355-F407 HydrophobicContact CB-CZ 3.96Å; F356-F407 HydrophobicContact CB-CE1 4.5Å; F356-F407 HydrophobicContact CB-CE2 4.02Å; F356-F407 HydrophobicContact CB-CZ 3.93Å; F356-F407 AromaticContact CD2-CD1 3.98Å; F356-F407 HydrophobicContact CD2-CD1 3.98Å; F356-F407 HydrophobicContact CD2-CD2 4.31Å; F356-F407 HydrophobicContact CD2-CE1 4.02Å; F356-F407 HydrophobicContact CD2-CE2 4.36Å; F356-F407 HydrophobicContact CD2-CG 4.13Å; F356-F407 HydrophobicContact CD2-CZ 4.22Å; L359-F407 HydrophobicContact CD2-CE1 3.79Å; V365-F407 HydrophobicContact CB-CE1 4.11Å; V365-F407 HydrophobicContact CB-CZ 4.34Å; V365-F407 HydrophobicContact CG1-CD1 3.88Å; V365-F407 HydrophobicContact CG1-CE1 3.71Å; V365-F407 HydrophobicContact CG1-CG 4.36Å; V365-F407 HydrophobicContact CG1-CZ 4.05Å; L402-F407 HydrophobicContact CB-CD2 4.33Å; L402-F407 HydrophobicContact CD2-CD2 3.9Å; L402-F407 HydrophobicContact CD2-CE2 4.02Å; L402-F407 WeakPolarHBondContact O-CB 3.37Å; L402-F407 WeakPolarHBondContact O-CD2 3.12Å; L402-F407 PolarHBondContact O-N 3.38Å; A405-F407 HydrophobicContact CB-CD2 4.16Å; A405-F407 HydrophobicContact CB-CE2 4.29Å; F407-V410 HydrophobicContact CB-CG2 4.06Å; F407-A472 HydrophobicContact CB-CB 3.68Å; F407-A472 HydrophobicContact CD1-CB 4.25Å; F407-A472 HydrophobicContact CG-CB 4.14Å
408D98.6Very high98.7Very high70 Ų7049.7 Ų49.737%0.37427%0.265SS..EExtended strand (participates in β ladder)trans-99.7162.4177.5-73.7-68.1000111.8V410 D473 K475D408-V410 PolarHBondContact O-N 2.95Å; D408-D473 PolarHBondContact N-O 2.96Å; D408-D473 PolarHBondContact O-N 2.83Å; D408-K475 HydrophobicContact CB-CD 4.06Å; D408-K475 HydrophobicContact CB-CG 4.1Å
409D98.1Very high98.7Very high98 Ų9849.7 Ų49.752%0.52427%0.265SS..EExtended strand (participates in β ladder)trans50.734.9173.3-59.3-35000113.9I411 K475D409-I411 PolarHBondContact O-N 3.4Å; D409-I411 VanDerWaalsContact O-N 3.15Å; D409-K475 IonicContact OD1-NZ 2.76Å; D409-K475 WeakPolarHBondContact OD2-CE 3.42Å; D409-K475 IonicContact OD2-NZ 3.39Å; D409-K475 PolarHBondContact OD2-NZ 2.83Å
410V98.7Very high98.7Very high23 Ų2351 Ų5114%0.13927%0.273CS..EExtended strand (participates in β ladder)trans-62.4116.6-174.9-176.20000111.7L402 K403 F407 D408 I471 A472L402-V410 HydrophobicContact CB-CG1 4.07Å; L402-V410 HydrophobicContact CB-CG2 4.2Å; L402-V410 HydrophobicContact CD1-CG1 4.21Å; K403-V410 HydrophobicContact CB-CG2 4.42Å; K403-V410 HydrophobicContact CG-CB 3.81Å; K403-V410 HydrophobicContact CG-CG1 4.4Å; K403-V410 HydrophobicContact CG-CG2 3.46Å; K403-V410 VanDerWaalsContact CG-CG2 3.46Å; F407-V410 HydrophobicContact CB-CG2 4.06Å; D408-V410 PolarHBondContact O-N 2.95Å; V410-I471 WeakPolarHBondContact CA-O 3.47Å; V410-A472 HydrophobicContact CB-CB 4.27Å; V410-A472 HydrophobicContact CG1-CB 4.44Å; V410-A472 HydrophobicContact CG2-CB 3.72Å
411I98.8Very high98.7Very high75 Ų7553.6 Ų53.639%0.38529%0.285SS..EExtended strand (participates in β ladder)trans-95129.4168.8-62.7172.3000108.1D409 E413 F470 I471D409-I411 PolarHBondContact O-N 3.4Å; D409-I411 VanDerWaalsContact O-N 3.15Å; I411-E413 HydrophobicContact CG2-CG 3.71Å; I411-F470 VanDerWaalsContact O-CA 3.28Å; I411-F470 WeakPolarHBondContact O-CA 3.47Å; I411-I471 HydrophobicContact CB-CB 4.28Å; I411-I471 PolarHBondContact N-O 3.26Å; I411-I471 PolarHBondContact O-N 3.25Å
412A98.8Very high98.7Very high27 Ų2752.8 Ų52.822%0.22328%0.281CS..EExtended strand (participates in β ladder)trans-132.193.1175.500000109.2V395 F470V395-A412 HydrophobicContact CG1-CB 4.17Å; A412-F470 HydrophobicContact CB-CD1 3.74Å; A412-F470 HydrophobicContact CB-CE1 3.89Å
413E98.8Very high98.6Very high60 Ų6052.8 Ų52.828%0.2828%0.281SS..EExtended strand (participates in β ladder)trans-95.1126.6-176.5-71.4175.5-159.900110.6I411 R415 G468 L469I411-E413 HydrophobicContact CG2-CG 3.71Å; E413-R415 HydrophobicContact CB-CG 4.27Å; E413-R415 PolarHBondContact O-N 3.3Å; E413-R415 IonicContact OE2-CZ 3.6Å; E413-R415 IonicContact OE2-NE 2.61Å; E413-R415 PolarHBondContact OE2-NE 3.35Å; E413-R415 IonicContact OE2-NH2 2.66Å; E413-R415 PolarHBondContact OE2-NH2 3.06Å; E413-G468 WeakPolarHBondContact O-CA 3.48Å; E413-L469 HydrophobicContact CB-CB 4.29Å; E413-L469 PolarHBondContact N-O 2.92Å; E413-L469 PolarHBondContact O-N 3.45Å
414D98.7Very high98.6Very high85 Ų8554.9 Ų54.946%0.45529%0.286SS..EExtended strand (participates in β ladder)trans-77.6109.3164.9-173.2-15.7000108.6V395 T416V395-D414 HydrophobicContact CG2-CB 4.21Å; D414-T416 WeakPolarHBondContact OD1-CB 3.36Å; D414-T416 PolarHBondContact OD1-N 3.39Å; D414-T416 PolarHBondContact OD1-OG1 3.02Å
415R98.7Very high98.6Very high48 Ų4854.6 Ų54.618%0.18128%0.276CS..  trans-103.621.8179.1-69.4-63.1-167.7115.60.4112.1E257 E413 D417 Q418 F419 W467 L469E257-R415 IonicContact OE1-CZ 2.75Å; E257-R415 IonicContact OE1-NH1 2.73Å; E257-R415 PolarHBondContact OE1-NH1 2.76Å; E257-R415 IonicContact OE1-NH2 3.46Å; E257-R415 PolarHBondContact OE1-NH2 2.81Å; E257-R415 IonicContact OE2-NH1 2.76Å; E413-R415 HydrophobicContact CB-CG 4.27Å; E413-R415 PolarHBondContact O-N 3.3Å; E413-R415 IonicContact OE2-CZ 3.6Å; E413-R415 IonicContact OE2-NE 2.61Å; E413-R415 PolarHBondContact OE2-NE 3.35Å; E413-R415 IonicContact OE2-NH2 2.66Å; E413-R415 PolarHBondContact OE2-NH2 3.06Å; R415-D417 VanDerWaalsContact C-N 3.27Å; R415-D417 PolarHBondContact O-N 2.83Å; R415-Q418 HydrophobicContact CB-CB 4.48Å; R415-Q418 WeakPolarHBondContact O-CB 3.37Å; R415-Q418 PolarHBondContact O-N 3.19Å; R415-F419 PolarHBondContact O-N 2.96Å; R415-W467 CarbonylContact C-O 3.59Å; R415-W467 WeakPolarHBondContact CA-O 3.3Å; R415-W467 HydrophobicContact CB-CD2 4.44Å; R415-W467 HydrophobicContact CB-CE3 3.53Å; R415-W467 HydrophobicContact CB-CZ3 3.92Å; R415-W467 PolarHBondContact N-O 3.47Å; R415-L469 HydrophobicContact CG-CB 3.94Å
416T98.8Very high98.6Very high5 Ų554.4 Ų54.43%0.03127%0.273CS..Hα-helixtrans-59.3-35.3-177.3-55.60000113D414 Q418 F419 V420 T460 K466 W467D414-T416 WeakPolarHBondContact OD1-CB 3.36Å; D414-T416 PolarHBondContact OD1-N 3.39Å; D414-T416 PolarHBondContact OD1-OG1 3.02Å; T416-Q418 PolarHBondContact O-N 3.41Å; T416-F419 WeakPolarHBondContact O-CB 3.47Å; T416-F419 PolarHBondContact O-N 3.47Å; T416-V420 WeakPolarHBondContact O-CG2 3.34Å; T416-V420 PolarHBondContact O-N 2.66Å; T416-T460 HydrophobicContact CG2-CG2 4.08Å; T416-K466 HydrophobicContact CG2-CD 4.08Å; T416-K466 VanDerWaalsContact OG1-CA 3.24Å; T416-K466 WeakPolarHBondContact OG1-CA 3.4Å; T416-K466 VanDerWaalsContact OG1-CD 3.24Å; T416-K466 WeakPolarHBondContact OG1-CD 3.49Å; T416-W467 PolarHBondContact N-O 3.44Å; T416-W467 PolarHBondContact OG1-N 2.91Å; T416-W467 VanDerWaalsContact OG1-N 3.08Å
417D98.5Very high98.6Very high136 Ų13653.4 Ų53.473%0.72726%0.26SS*.Hα-helixtrans-63.7-41176.1-72.2-14.6000112R415 V420 Q421R415-D417 VanDerWaalsContact C-N 3.27Å; R415-D417 PolarHBondContact O-N 2.83Å; D417-V420 PolarHBondContact O-N 3.46Å; D417-Q421 WeakPolarHBondContact O-CG 3.22Å; D417-Q421 PolarHBondContact O-N 3.1Å; D417-Q421 VanDerWaalsContact O-N 3.1Å
418Q98.7Very high98.5Very high35 Ų3557.5 Ų57.516%0.16428%0.279CS..Hα-helixtrans-65.1-41.5172.9-178179.415.900110.7E257 R415 T416 V420 Q421 V422 W467E257-Q418 PolarHBondContact OE2-NE2 3.43Å; R415-Q418 HydrophobicContact CB-CB 4.48Å; R415-Q418 WeakPolarHBondContact O-CB 3.37Å; R415-Q418 PolarHBondContact O-N 3.19Å; T416-Q418 PolarHBondContact O-N 3.41Å; Q418-V420 VanDerWaalsContact C-N 3.33Å; Q418-V420 PolarHBondContact O-N 2.92Å; Q418-Q421 PolarHBondContact O-N 2.88Å; Q418-V422 HydrophobicContact CG-CG2 4.46Å; Q418-V422 WeakPolarHBondContact O-CG2 3.24Å; Q418-V422 PolarHBondContact O-N 2.94Å; Q418-W467 HydrophobicContact CB-CZ3 4.48Å; Q418-W467 HydrophobicContact CG-CZ3 4.23Å
419F98.6Very high98.5Very high0 Ų058.2 Ų58.20%028%0.279CS..Hα-helixtrans-58.1-44.8175.9-176.2-130.9000111.7T249 Y370 R415 T416 Q421 V422 L423 K456 T460 W467T249-F419 HydrophobicContact CG2-CD2 3.51Å; T249-F419 HydrophobicContact CG2-CE2 3.91Å; T249-F419 WeakPolarHBondContact OG1-CE2 2.87Å; Y370-F419 AromaticContact CE1-CE2 3.97Å; Y370-F419 HydrophobicContact CE1-CE2 3.97Å; Y370-F419 AromaticContact CE1-CZ 3.84Å; Y370-F419 HydrophobicContact CE1-CZ 3.84Å; Y370-F419 HydrophobicContact CE2-CZ 4.37Å; Y370-F419 AromaticContact CZ-CZ 3.65Å; Y370-F419 WeakPolarHBondContact OH-CZ 3.07Å; R415-F419 PolarHBondContact O-N 2.96Å; T416-F419 WeakPolarHBondContact O-CB 3.47Å; T416-F419 PolarHBondContact O-N 3.47Å; F419-Q421 PolarHBondContact O-N 3.31Å; F419-V422 PolarHBondContact O-N 2.86Å; F419-L423 HydrophobicContact CD1-CD1 3.86Å; F419-L423 HydrophobicContact CD2-CD1 4.33Å; F419-L423 HydrophobicContact CD2-CG 4.15Å; F419-L423 HydrophobicContact CE1-CD1 3.62Å; F419-L423 HydrophobicContact CE1-CG 4.36Å; F419-L423 HydrophobicContact CE2-CD1 4.12Å; F419-L423 HydrophobicContact CE2-CD2 3.98Å; F419-L423 HydrophobicContact CE2-CG 3.95Å; F419-L423 HydrophobicContact CG-CD1 4.22Å; F419-L423 HydrophobicContact CG-CG 4.45Å; F419-L423 HydrophobicContact CZ-CD1 3.76Å; F419-L423 HydrophobicContact CZ-CD2 4.03Å; F419-L423 HydrophobicContact CZ-CG 4.07Å; F419-L423 WeakPolarHBondContact O-CB 3.45Å; F419-L423 VanDerWaalsContact O-CG 3.26Å; F419-L423 WeakPolarHBondContact O-CG 3.45Å; F419-L423 PolarHBondContact O-N 3.18Å; F419-K456 HydrophobicContact CZ-CD 4.22Å; F419-T460 HydrophobicContact CD1-CG2 3.68Å; F419-T460 HydrophobicContact CE1-CG2 3.85Å; F419-W467 HydrophobicContact CB-CB 3.68Å; F419-W467 HydrophobicContact CB-CD2 4.12Å; F419-W467 HydrophobicContact CB-CE3 3.83Å; F419-W467 HydrophobicContact CB-CG 4.11Å; F419-W467 HydrophobicContact CD1-CB 3.99Å; F419-W467 HydrophobicContact CD2-CB 4.32Å; F419-W467 HydrophobicContact CD2-CD2 4.3Å; F419-W467 HydrophobicContact CD2-CG 4.2Å; F419-W467 HydrophobicContact CG-CB 3.76Å; F419-W467 HydrophobicContact CG-CD2 4.41Å; F419-W467 HydrophobicContact CG-CG 4.11Å
420V98.6Very high98.5Very high30 Ų3053.8 Ų53.818%0.18226%0.255CS..Hα-helixtrans-61.4-43.6175.8171.50000111.6T416 D417 Q418 V422 L423 R424 L457 T460T416-V420 WeakPolarHBondContact O-CG2 3.34Å; T416-V420 PolarHBondContact O-N 2.66Å; D417-V420 PolarHBondContact O-N 3.46Å; Q418-V420 VanDerWaalsContact C-N 3.33Å; Q418-V420 PolarHBondContact O-N 2.92Å; V420-V422 VanDerWaalsContact C-N 3.35Å; V420-V422 PolarHBondContact O-N 3.5Å; V420-L423 PolarHBondContact O-N 3.18Å; V420-R424 WeakPolarHBondContact O-CG 3.39Å; V420-R424 PolarHBondContact O-N 3.47Å; V420-L457 HydrophobicContact CG1-CD2 4.06Å; V420-T460 HydrophobicContact CG2-CG2 4.25Å; V420-T460 WeakPolarHBondContact CG2-OG1 3.27Å
421Q98.5Very high98.5Very high137 Ų13757.1 Ų57.164%0.6427%0.269SS*.Hα-helixtrans-61.3-44.3177.2-71.5175.7300111.7D417 Q418 F419 R424 R425D417-Q421 WeakPolarHBondContact O-CG 3.22Å; D417-Q421 PolarHBondContact O-N 3.1Å; D417-Q421 VanDerWaalsContact O-N 3.1Å; Q418-Q421 PolarHBondContact O-N 2.88Å; F419-Q421 PolarHBondContact O-N 3.31Å; Q421-R424 PolarHBondContact O-N 2.98Å; Q421-R425 PolarHBondContact O-N 3.45Å; Q421-R425 VanDerWaalsContact O-N 3.12Å
422V98.5Very high98.5Very high7 Ų761.3 Ų61.34%0.04229%0.285CS..Hα-helixtrans-63.6-48.7177.6168.60000111.1T249 G250 T254 Q418 F419 V420 R424 R425 E426T249-V422 HydrophobicContact CG2-CB 4.32Å; T249-V422 HydrophobicContact CG2-CG1 3.83Å; G250-V422 VanDerWaalsContact CA-CG1 3.48Å; T254-V422 HydrophobicContact CG2-CG2 4.44Å; Q418-V422 HydrophobicContact CG-CG2 4.46Å; Q418-V422 WeakPolarHBondContact O-CG2 3.24Å; Q418-V422 PolarHBondContact O-N 2.94Å; F419-V422 PolarHBondContact O-N 2.86Å; V420-V422 VanDerWaalsContact C-N 3.35Å; V420-V422 PolarHBondContact O-N 3.5Å; V422-R424 VanDerWaalsContact C-N 3.32Å; V422-R424 PolarHBondContact O-N 3.2Å; V422-R425 PolarHBondContact O-N 3.46Å; V422-E426 HydrophobicContact CG1-CG 4.23Å; V422-E426 WeakPolarHBondContact CG1-OE1 3.29Å; V422-E426 WeakPolarHBondContact O-CB 3.29Å; V422-E426 WeakPolarHBondContact O-CG 3.04Å; V422-E426 PolarHBondContact O-N 2.91Å
423L98.3Very high98.4Very high0 Ų062.7 Ų62.70%029%0.287CS..Hα-helixtrans-57.3-43.5178.1-74.5173.7000112.2F419 V420 L427 W453 K456 L457F419-L423 HydrophobicContact CD1-CD1 3.86Å; F419-L423 HydrophobicContact CD2-CD1 4.33Å; F419-L423 HydrophobicContact CD2-CG 4.15Å; F419-L423 HydrophobicContact CE1-CD1 3.62Å; F419-L423 HydrophobicContact CE1-CG 4.36Å; F419-L423 HydrophobicContact CE2-CD1 4.12Å; F419-L423 HydrophobicContact CE2-CD2 3.98Å; F419-L423 HydrophobicContact CE2-CG 3.95Å; F419-L423 HydrophobicContact CG-CD1 4.22Å; F419-L423 HydrophobicContact CG-CG 4.45Å; F419-L423 HydrophobicContact CZ-CD1 3.76Å; F419-L423 HydrophobicContact CZ-CD2 4.03Å; F419-L423 HydrophobicContact CZ-CG 4.07Å; F419-L423 WeakPolarHBondContact O-CB 3.45Å; F419-L423 VanDerWaalsContact O-CG 3.26Å; F419-L423 WeakPolarHBondContact O-CG 3.45Å; F419-L423 PolarHBondContact O-N 3.18Å; V420-L423 PolarHBondContact O-N 3.18Å; L423-L427 VanDerWaalsContact O-CB 3.27Å; L423-L427 WeakPolarHBondContact O-CB 3.24Å; L423-L427 PolarHBondContact O-N 3.35Å; L423-W453 HydrophobicContact CD2-CG 4.26Å; L423-K456 HydrophobicContact CD1-CB 3.77Å; L423-K456 HydrophobicContact CD2-CB 4.18Å; L423-K456 HydrophobicContact CD2-CD 3.89Å; L423-L457 HydrophobicContact CB-CD2 3.69Å; L423-L457 HydrophobicContact CB-CG 4.05Å; L423-L457 HydrophobicContact CD1-CD2 4.14Å; L423-L457 HydrophobicContact CD1-CG 4.35Å
424R98.4Very high98.4Very high144 Ų14463.4 Ų63.454%0.54329%0.289SS..Hα-helixtrans-62.3-46.9177.1-73.1179.6-174.5-121.70.4111.3V420 Q421 V422 L427 E428 L457V420-R424 WeakPolarHBondContact O-CG 3.39Å; V420-R424 PolarHBondContact O-N 3.47Å; Q421-R424 PolarHBondContact O-N 2.98Å; V422-R424 VanDerWaalsContact C-N 3.32Å; V422-R424 PolarHBondContact O-N 3.2Å; R424-L427 PolarHBondContact O-N 2.94Å; R424-E428 WeakPolarHBondContact O-CB 3.46Å; R424-E428 VanDerWaalsContact O-CG 3.28Å; R424-E428 WeakPolarHBondContact O-CG 3.29Å; R424-E428 PolarHBondContact O-N 3.47Å; R424-L457 HydrophobicContact CG-CD1 4.16Å; R424-L457 HydrophobicContact CG-CD2 3.73Å
425R98.4Very high98.4Very high114 Ų11467.8 Ų67.843%0.4331%0.306SS..Hα-helixtrans-61.5-47.1178.9-179.6-175.268.4-167.51.8112.2E253 Q421 V422 E428 K429E253-R425 IonicContact OE1-NH1 2.79Å; E253-R425 IonicContact OE2-CZ 3.68Å; E253-R425 IonicContact OE2-NH1 3.24Å; E253-R425 PolarHBondContact OE2-NH1 2.81Å; E253-R425 IonicContact OE2-NH2 3.8Å; E253-R425 PolarHBondContact OE2-NH2 2.98Å; Q421-R425 PolarHBondContact O-N 3.45Å; Q421-R425 VanDerWaalsContact O-N 3.12Å; V422-R425 PolarHBondContact O-N 3.46Å; R425-E428 PolarHBondContact O-N 3.15Å; R425-K429 WeakPolarHBondContact O-CB 3.47Å; R425-K429 PolarHBondContact O-N 3.11Å
426E98.4Very high98.3Very high7 Ų770 Ų703%0.03332%0.319CS..Hα-helixtrans-59.6-48.2178.7-74169.2177.600110.7V241 F242 G250 V422 K429 V430 W453V241-E426 HydrophobicContact CG1-CB 3.89Å; V241-E426 HydrophobicContact CG1-CG 4.43Å; F242-E426 VanDerWaalsContact CD1-OE1 3.26Å; F242-E426 WeakPolarHBondContact CD1-OE1 3.43Å; G250-E426 WeakPolarHBondContact CA-OE1 3.21Å; G250-E426 PolarHBondContact N-OE1 2.85Å; V422-E426 HydrophobicContact CG1-CG 4.23Å; V422-E426 WeakPolarHBondContact CG1-OE1 3.29Å; V422-E426 WeakPolarHBondContact O-CB 3.29Å; V422-E426 WeakPolarHBondContact O-CG 3.04Å; V422-E426 PolarHBondContact O-N 2.91Å; E426-K429 PolarHBondContact O-N 3.31Å; E426-V430 WeakPolarHBondContact O-CG2 3.4Å; E426-V430 PolarHBondContact O-N 3.17Å; E426-V430 VanDerWaalsContact O-N 3.11Å; E426-W453 PolarHBondContact OE2-NE1 3.43Å
427L98.2Very high98.3Very high13 Ų1369.8 Ų69.87%0.06832%0.318CS..Hα-helixtrans-62.6-48.4178-179.658.4000111.9L423 R424 K429 V430 E431 V450 W453 L457L423-L427 VanDerWaalsContact O-CB 3.27Å; L423-L427 WeakPolarHBondContact O-CB 3.24Å; L423-L427 PolarHBondContact O-N 3.35Å; R424-L427 PolarHBondContact O-N 2.94Å; L427-K429 PolarHBondContact O-N 3.44Å; L427-V430 PolarHBondContact O-N 3.29Å; L427-V430 VanDerWaalsContact O-N 3.11Å; L427-E431 HydrophobicContact CD1-CG 4.18Å; L427-E431 HydrophobicContact CG-CG 4.44Å; L427-E431 WeakPolarHBondContact O-CG 3.35Å; L427-E431 PolarHBondContact O-N 2.97Å; L427-V450 HydrophobicContact CD1-CB 4.2Å; L427-V450 HydrophobicContact CD1-CG1 4.14Å; L427-V450 HydrophobicContact CD1-CG2 3.99Å; L427-W453 HydrophobicContact CB-CB 4.2Å; L427-W453 HydrophobicContact CB-CG 4.5Å; L427-W453 HydrophobicContact CD1-CB 4.01Å; L427-W453 HydrophobicContact CD2-CB 4.31Å; L427-W453 HydrophobicContact CG-CB 4.41Å; L427-L457 HydrophobicContact CD2-CD1 3.85Å
428E98.3Very high98.3Very high93 Ų9365.3 Ų65.344%0.43529%0.293SS..Hα-helixtrans-59.2-35.6178.2-78.6179.9-156.100112.4R424 R425 K432R424-E428 WeakPolarHBondContact O-CB 3.46Å; R424-E428 VanDerWaalsContact O-CG 3.28Å; R424-E428 WeakPolarHBondContact O-CG 3.29Å; R424-E428 PolarHBondContact O-N 3.47Å; R425-E428 PolarHBondContact O-N 3.15Å; E428-K432 WeakPolarHBondContact O-CB 3.36Å; E428-K432 WeakPolarHBondContact O-CD 3.2Å; E428-K432 WeakPolarHBondContact O-CG 3.39Å; E428-K432 PolarHBondContact O-N 3Å; E428-K432 IonicContact OE2-NZ 2.72Å; E428-K432 PolarHBondContact OE2-NZ 3.22Å
429K98.1Very high98.2Very high85 Ų8568.3 Ų68.337%0.3732%0.318SS..Hα-helixtrans-65.4-47.5175.2-177.9-179.6-179.7-69.20110.6R425 E426 L427 E431 K432 E433R425-K429 WeakPolarHBondContact O-CB 3.47Å; R425-K429 PolarHBondContact O-N 3.11Å; E426-K429 PolarHBondContact O-N 3.31Å; L427-K429 PolarHBondContact O-N 3.44Å; K429-E431 VanDerWaalsContact C-N 3.35Å; K429-E431 PolarHBondContact O-N 2.84Å; K429-K432 PolarHBondContact O-N 3.06Å; K429-E433 VanDerWaalsContact CE-OE1 3.3Å; K429-E433 WeakPolarHBondContact CE-OE1 3.26Å; K429-E433 IonicContact NZ-OE1 3.64Å; K429-E433 PolarHBondContact NZ-OE1 3.2Å; K429-E433 IonicContact NZ-OE2 3.23Å; K429-E433 PolarHBondContact NZ-OE2 3.37Å; K429-E433 WeakPolarHBondContact O-CB 3.33Å; K429-E433 PolarHBondContact O-N 2.78Å
430V98Very high98Very high5 Ų572.8 Ų72.83%0.0334%0.342CS..Hα-helixtrans-60.3-44.5178.4173.60000111.2V241 E426 L427 E433 K434 F437 Y446 I449 V450V241-V430 HydrophobicContact CB-CG2 4.28Å; V241-V430 HydrophobicContact CG1-CG2 3.91Å; V241-V430 HydrophobicContact CG2-CG2 3.73Å; E426-V430 WeakPolarHBondContact O-CG2 3.4Å; E426-V430 PolarHBondContact O-N 3.17Å; E426-V430 VanDerWaalsContact O-N 3.11Å; L427-V430 PolarHBondContact O-N 3.29Å; L427-V430 VanDerWaalsContact O-N 3.11Å; V430-E433 CarbonylContact O-C 3.4Å; V430-E433 PolarHBondContact O-N 2.75Å; V430-K434 PolarHBondContact O-N 3.29Å; V430-K434 VanDerWaalsContact O-N 3.11Å; V430-F437 HydrophobicContact CG1-CD2 4.26Å; V430-F437 HydrophobicContact CG1-CE2 4.5Å; V430-Y446 HydrophobicContact CG1-CD2 4.01Å; V430-Y446 HydrophobicContact CG1-CE2 3.81Å; V430-I449 HydrophobicContact CG1-CG2 4.06Å; V430-I449 HydrophobicContact CG2-CG2 4.2Å; V430-V450 HydrophobicContact CG1-CG2 4.19Å
431E98.1Very high97.9Very high94 Ų9474 Ų7444%0.43935%0.345SS..Hα-helixtrans-65.4-39.2178.6-69.2-179.6146.400112.5L427 K429 E433 K434 V450L427-E431 HydrophobicContact CD1-CG 4.18Å; L427-E431 HydrophobicContact CG-CG 4.44Å; L427-E431 WeakPolarHBondContact O-CG 3.35Å; L427-E431 PolarHBondContact O-N 2.97Å; K429-E431 VanDerWaalsContact C-N 3.35Å; K429-E431 PolarHBondContact O-N 2.84Å; E431-E433 VanDerWaalsContact C-N 3.32Å; E431-K434 WeakPolarHBondContact O-CB 3.35Å; E431-K434 PolarHBondContact O-N 3.09Å; E431-V450 HydrophobicContact CG-CG2 4.42Å
432K98.3Very high97.8Very high162 Ų16269.2 Ų69.270%0.70433%0.327SS*.Hα-helixtrans-67.2-32175.7-76.1167.4-173.6156.10112.7E428 K429E428-K432 WeakPolarHBondContact O-CB 3.36Å; E428-K432 WeakPolarHBondContact O-CD 3.2Å; E428-K432 WeakPolarHBondContact O-CG 3.39Å; E428-K432 PolarHBondContact O-N 3Å; E428-K432 IonicContact OE2-NZ 2.72Å; E428-K432 PolarHBondContact OE2-NZ 3.22Å; K429-K432 PolarHBondContact O-N 3.06Å
433E97.9Very high97.7Very high57 Ų5773 Ų7327%0.26634%0.344SS..THydrogen-bonded Turntrans-101.222.8-179.1-63.9172.7-169.500112.3R240 K429 V430 E431 E435 E436 F437R240-E433 IonicContact CZ-OE2 3.62Å; R240-E433 IonicContact NE-OE2 3.52Å; R240-E433 IonicContact NH2-OE2 2.82Å; R240-E433 PolarHBondContact NH2-OE2 3.21Å; K429-E433 VanDerWaalsContact CE-OE1 3.3Å; K429-E433 WeakPolarHBondContact CE-OE1 3.26Å; K429-E433 IonicContact NZ-OE1 3.64Å; K429-E433 PolarHBondContact NZ-OE1 3.2Å; K429-E433 IonicContact NZ-OE2 3.23Å; K429-E433 PolarHBondContact NZ-OE2 3.37Å; K429-E433 WeakPolarHBondContact O-CB 3.33Å; K429-E433 PolarHBondContact O-N 2.78Å; V430-E433 CarbonylContact O-C 3.4Å; V430-E433 PolarHBondContact O-N 2.75Å; E431-E433 VanDerWaalsContact C-N 3.32Å; E433-E435 PolarHBondContact O-N 2.94Å; E433-E436 PolarHBondContact O-N 3.04Å; E433-F437 WeakPolarHBondContact O-CB 3.47Å; E433-F437 PolarHBondContact O-N 2.92Å
434K98.3Very high97.6Very high75 Ų7580 Ų8033%0.32638%0.377SS..Hα-helixtrans-50.3-49.1-173173.5171.9-171.4175.20113.8V430 E431 F437 I438 E443 Y446V430-K434 PolarHBondContact O-N 3.29Å; V430-K434 VanDerWaalsContact O-N 3.11Å; E431-K434 WeakPolarHBondContact O-CB 3.35Å; E431-K434 PolarHBondContact O-N 3.09Å; K434-F437 PolarHBondContact O-N 2.97Å; K434-I438 HydrophobicContact CD-CD1 4.13Å; K434-I438 HydrophobicContact CG-CD1 3.63Å; K434-I438 HydrophobicContact CG-CG1 4.49Å; K434-I438 WeakPolarHBondContact O-CG1 3.26Å; K434-I438 PolarHBondContact O-N 2.97Å; K434-E443 WeakPolarHBondContact CE-OE1 3.44Å; K434-E443 IonicContact NZ-OE1 2.83Å; K434-E443 PolarHBondContact NZ-OE1 2.89Å; K434-Y446 HydrophobicContact CB-CD2 4.36Å; K434-Y446 HydrophobicContact CB-CE2 3.61Å; K434-Y446 HydrophobicContact CD-CD1 4.34Å; K434-Y446 HydrophobicContact CD-CE1 3.72Å; K434-Y446 HydrophobicContact CD-CE2 4.01Å; K434-Y446 HydrophobicContact CG-CD1 4.49Å; K434-Y446 HydrophobicContact CG-CD2 3.99Å; K434-Y446 HydrophobicContact CG-CE1 4.12Å; K434-Y446 HydrophobicContact CG-CE2 3.52Å; K434-Y446 HydrophobicContact CG-CG 4.45Å
435E98Very high97.5Very high176 Ų17674.2 Ų74.282%0.82236%0.356SS*.Hα-helixtrans-64.4-42-176.2-67-175.9179.200112.1E433 S439E433-E435 PolarHBondContact O-N 2.94Å; E435-S439 WeakPolarHBondContact O-CB 3.08Å; E435-S439 PolarHBondContact O-N 3.38Å
436E98Very high97.4Very high94 Ų9469.7 Ų69.744%0.43934%0.34SS..Hα-helixtrans-66.5-44.5176.2-171.2-173.1148.200110.6R240 E433 I438 S439 D440R240-E436 IonicContact CZ-OE1 3.26Å; R240-E436 VanDerWaalsContact CZ-OE1 3.23Å; R240-E436 IonicContact NH1-OE1 3.14Å; R240-E436 PolarHBondContact NH1-OE1 2.93Å; R240-E436 IonicContact NH2-OE1 3.44Å; R240-E436 PolarHBondContact NH2-OE1 3.37Å; R240-E436 IonicContact NH2-OE2 2.75Å; E433-E436 PolarHBondContact O-N 3.04Å; E436-I438 PolarHBondContact O-N 3.42Å; E436-S439 WeakPolarHBondContact O-CB 3.06Å; E436-S439 PolarHBondContact O-N 3.49Å; E436-D440 PolarHBondContact O-N 3.04Å
437F98Very high97.4Very high2 Ų273.4 Ų73.41%0.00936%0.359CS..Hα-helixtrans-58.5-46.4177.7-169.1-76000111.8R237 R240 V241 V430 E433 K434 S439 D440 F441 D445 Y446 I449R237-F437 HydrophobicContact CB-CZ 4.14Å; R240-F437 HydrophobicContact CB-CE2 4.19Å; R240-F437 HydrophobicContact CG-CD2 3.73Å; R240-F437 HydrophobicContact CG-CE2 3.74Å; V241-F437 HydrophobicContact CG2-CE2 4.2Å; V430-F437 HydrophobicContact CG1-CD2 4.26Å; V430-F437 HydrophobicContact CG1-CE2 4.5Å; E433-F437 WeakPolarHBondContact O-CB 3.47Å; E433-F437 PolarHBondContact O-N 2.92Å; K434-F437 PolarHBondContact O-N 2.97Å; F437-S439 VanDerWaalsContact C-N 3.31Å; F437-S439 PolarHBondContact O-N 2.8Å; F437-D440 PolarHBondContact O-N 2.98Å; F437-F441 HydrophobicContact CD1-CB 4.44Å; F437-F441 HydrophobicContact CD1-CD2 4.19Å; F437-F441 HydrophobicContact CD2-CD2 4.36Å; F437-F441 HydrophobicContact CE1-CB 4.14Å; F437-F441 HydrophobicContact CE1-CD2 4.05Å; F437-F441 HydrophobicContact CE1-CG 4.3Å; F437-F441 HydrophobicContact CE2-CD2 4.24Å; F437-F441 HydrophobicContact CE2-CE2 4.39Å; F437-F441 HydrophobicContact CG-CD2 4.34Å; F437-F441 HydrophobicContact CZ-CD2 4.07Å; F437-F441 HydrophobicContact CZ-CG 4.48Å; F437-F441 WeakPolarHBondContact O-CB 3.34Å; F437-F441 WeakPolarHBondContact O-CD2 3.41Å; F437-F441 PolarHBondContact O-N 3.09Å; F437-D445 HydrophobicContact CE1-CB 4.12Å; F437-Y446 HydrophobicContact CB-CD2 4.42Å; F437-Y446 HydrophobicContact CD1-CD2 4.02Å; F437-Y446 HydrophobicContact CD1-CG 4.46Å; F437-Y446 HydrophobicContact CG-CD2 4.32Å; F437-I449 HydrophobicContact CZ-CG1 3.9Å
438I97.9Very high97.2Very high41 Ų4177 Ų7721%0.2138%0.379CS..Hα-helixtrans-67.1-35.4179.2-70.5164.6000111.5K434 E436 F441 S442 E443 Y446K434-I438 HydrophobicContact CD-CD1 4.13Å; K434-I438 HydrophobicContact CG-CD1 3.63Å; K434-I438 HydrophobicContact CG-CG1 4.49Å; K434-I438 WeakPolarHBondContact O-CG1 3.26Å; K434-I438 PolarHBondContact O-N 2.97Å; E436-I438 PolarHBondContact O-N 3.42Å; I438-F441 CarbonylContact O-C 3.33Å; I438-S442 PolarHBondContact O-N 3.19Å; I438-E443 WeakPolarHBondContact CD1-OE2 3.36Å; I438-Y446 HydrophobicContact CD1-CG 4.25Å; I438-Y446 HydrophobicContact CG1-CD2 4.46Å; I438-Y446 HydrophobicContact CG1-CG 4.13Å
439S97.6Very high97.1Very high99 Ų9972.7 Ų72.769%0.69236%0.359SS*.Hα-helixtrans-64.5-42.5176.5-178.10000112.1E435 E436 F437E435-S439 WeakPolarHBondContact O-CB 3.08Å; E435-S439 PolarHBondContact O-N 3.38Å; E436-S439 WeakPolarHBondContact O-CB 3.06Å; E436-S439 PolarHBondContact O-N 3.49Å; F437-S439 VanDerWaalsContact C-N 3.31Å; F437-S439 PolarHBondContact O-N 2.8Å
440D95.1Very high97.1Very high94 Ų9469.8 Ų69.850%0.50335%0.348SS..Hα-helixtrans-76.7-28.7-179.7-70.8-12.9000112.5R240 E436 F437R240-D440 IonicContact NH1-OD2 2.68Å; E436-D440 PolarHBondContact O-N 3.04Å; F437-D440 PolarHBondContact O-N 2.98Å
441F95.7Very high97Very high56 Ų5671.5 Ų71.525%0.24637%0.366CS..SBendtrans-123.1-107.8-177.1-59.5-83.9000111.3L236 R237 R240 F437 I438 D445L236-F441 HydrophobicContact CB-CE1 3.95Å; L236-F441 HydrophobicContact CB-CZ 4.39Å; R237-F441 HydrophobicContact CB-CD1 3.86Å; R237-F441 HydrophobicContact CB-CE1 3.73Å; R237-F441 HydrophobicContact CB-CG 4.37Å; R237-F441 HydrophobicContact CB-CZ 4.15Å; R240-F441 HydrophobicContact CB-CE2 3.81Å; R240-F441 HydrophobicContact CB-CZ 3.97Å; R240-F441 HydrophobicContact CG-CE2 3.85Å; R240-F441 HydrophobicContact CG-CZ 4.5Å; F437-F441 HydrophobicContact CD1-CB 4.44Å; F437-F441 HydrophobicContact CD1-CD2 4.19Å; F437-F441 HydrophobicContact CD2-CD2 4.36Å; F437-F441 HydrophobicContact CE1-CB 4.14Å; F437-F441 HydrophobicContact CE1-CD2 4.05Å; F437-F441 HydrophobicContact CE1-CG 4.3Å; F437-F441 HydrophobicContact CE2-CD2 4.24Å; F437-F441 HydrophobicContact CE2-CE2 4.39Å; F437-F441 HydrophobicContact CG-CD2 4.34Å; F437-F441 HydrophobicContact CZ-CD2 4.07Å; F437-F441 HydrophobicContact CZ-CG 4.48Å; F437-F441 WeakPolarHBondContact O-CB 3.34Å; F437-F441 WeakPolarHBondContact O-CD2 3.41Å; F437-F441 PolarHBondContact O-N 3.09Å; I438-F441 CarbonylContact O-C 3.33Å; F441-D445 HydrophobicContact CB-CB 3.97Å
442S96.5Very high96.8Very high36 Ų3668.5 Ų68.525%0.25236%0.361SS..  trans-162.1165.5178.2700000111.5I438 E444 D445 Y446I438-S442 PolarHBondContact O-N 3.19Å; S442-E444 VanDerWaalsContact C-N 3.26Å; S442-E444 PolarHBondContact O-N 3.22Å; S442-E444 PolarHBondContact OG-N 3.15Å; S442-D445 PolarHBondContact O-N 2.77Å; S442-D445 WeakPolarHBondContact OG-CB 3.49Å; S442-D445 PolarHBondContact OG-N 2.9Å; S442-D445 PolarHBondContact OG-OD2 3.31Å; S442-Y446 PolarHBondContact O-N 3.04Å
443E97.2Very high96.7Very high86 Ų8661 Ų6140%0.40233%0.328SS..Hα-helixtrans-64-33.6171.9-17181.1-14500111.5K434 I438 Y446 N447K434-E443 WeakPolarHBondContact CE-OE1 3.44Å; K434-E443 IonicContact NZ-OE1 2.83Å; K434-E443 PolarHBondContact NZ-OE1 2.89Å; I438-E443 WeakPolarHBondContact CD1-OE2 3.36Å; E443-Y446 PolarHBondContact O-N 3.43Å; E443-N447 WeakPolarHBondContact O-CB 3.47Å; E443-N447 VanDerWaalsContact O-CG 3.22Å; E443-N447 PolarHBondContact O-N 2.67Å; E443-N447 PolarHBondContact O-ND2 3.46Å
444E96.1Very high96.7Very high147 Ų14760.2 Ų60.269%0.68733%0.329SS*.Hα-helixtrans-64-48.9175.7-174.8175.4-179.300110.7S442 Y446 N447 D448S442-E444 VanDerWaalsContact C-N 3.26Å; S442-E444 PolarHBondContact O-N 3.22Å; S442-E444 PolarHBondContact OG-N 3.15Å; E444-Y446 VanDerWaalsContact C-N 3.32Å; E444-Y446 PolarHBondContact O-N 3.42Å; E444-N447 PolarHBondContact O-N 3.49Å; E444-D448 PolarHBondContact O-N 3.12Å
445D94.8Very high96.6Very high23 Ų2357.9 Ų57.912%0.12332%0.324CS..Hα-helixtrans-60.2-41.3176.7-69.3-54.7000112.1R237 F437 F441 S442 D448 I449R237-D445 WeakPolarHBondContact CD-OD1 3.44Å; R237-D445 IonicContact CZ-OD1 2.67Å; R237-D445 IonicContact NE-OD1 3.54Å; R237-D445 IonicContact NH1-OD1 2.78Å; R237-D445 PolarHBondContact NH1-OD1 3.42Å; F437-D445 HydrophobicContact CE1-CB 4.12Å; F441-D445 HydrophobicContact CB-CB 3.97Å; S442-D445 PolarHBondContact O-N 2.77Å; S442-D445 WeakPolarHBondContact OG-CB 3.49Å; S442-D445 PolarHBondContact OG-N 2.9Å; S442-D445 PolarHBondContact OG-OD2 3.31Å; D445-D448 PolarHBondContact O-N 3.4Å; D445-I449 WeakPolarHBondContact O-CG1 3.38Å; D445-I449 PolarHBondContact O-N 3.48Å
446Y97.8Very high96.5Very high19 Ų1950.1 Ų50.18%0.07529%0.287CS..Hα-helixtrans-60-48.8176.5174.9-91.7000111.3V430 K434 F437 I438 S442 E443 E444 D448 I449 V450V430-Y446 HydrophobicContact CG1-CD2 4.01Å; V430-Y446 HydrophobicContact CG1-CE2 3.81Å; K434-Y446 HydrophobicContact CB-CD2 4.36Å; K434-Y446 HydrophobicContact CB-CE2 3.61Å; K434-Y446 HydrophobicContact CD-CD1 4.34Å; K434-Y446 HydrophobicContact CD-CE1 3.72Å; K434-Y446 HydrophobicContact CD-CE2 4.01Å; K434-Y446 HydrophobicContact CG-CD1 4.49Å; K434-Y446 HydrophobicContact CG-CD2 3.99Å; K434-Y446 HydrophobicContact CG-CE1 4.12Å; K434-Y446 HydrophobicContact CG-CE2 3.52Å; K434-Y446 HydrophobicContact CG-CG 4.45Å; F437-Y446 HydrophobicContact CB-CD2 4.42Å; F437-Y446 HydrophobicContact CD1-CD2 4.02Å; F437-Y446 HydrophobicContact CD1-CG 4.46Å; F437-Y446 HydrophobicContact CG-CD2 4.32Å; I438-Y446 HydrophobicContact CD1-CG 4.25Å; I438-Y446 HydrophobicContact CG1-CD2 4.46Å; I438-Y446 HydrophobicContact CG1-CG 4.13Å; S442-Y446 PolarHBondContact O-N 3.04Å; E443-Y446 PolarHBondContact O-N 3.43Å; E444-Y446 VanDerWaalsContact C-N 3.32Å; E444-Y446 PolarHBondContact O-N 3.42Å; Y446-D448 VanDerWaalsContact C-N 3.34Å; Y446-D448 PolarHBondContact O-N 3.02Å; Y446-I449 PolarHBondContact O-N 3.03Å; Y446-V450 HydrophobicContact CD1-CG2 4.28Å; Y446-V450 HydrophobicContact CD2-CG2 4.38Å; Y446-V450 HydrophobicContact CE1-CG2 3.76Å; Y446-V450 HydrophobicContact CE2-CG2 3.9Å; Y446-V450 WeakPolarHBondContact O-CG2 3.45Å; Y446-V450 PolarHBondContact O-N 3.42Å
447N97.5Very high96.5Very high84 Ų8447 Ų4745%0.44927%0.274SS..Hα-helixtrans-64.8-38.7-179.4-70.7-35000111.8E443 E444 G451E443-N447 WeakPolarHBondContact O-CB 3.47Å; E443-N447 VanDerWaalsContact O-CG 3.22Å; E443-N447 PolarHBondContact O-N 2.67Å; E443-N447 PolarHBondContact O-ND2 3.46Å; E444-N447 PolarHBondContact O-N 3.49Å; N447-G451 PolarHBondContact O-N 2.96Å
448D94.2Very high96.5Very high89 Ų8953.3 Ų53.348%0.47630%0.303SS..Hα-helixtrans-61.6-44.5175.3-88.65.7000112E444 D445 Y446 G452E444-D448 PolarHBondContact O-N 3.12Å; D445-D448 PolarHBondContact O-N 3.4Å; Y446-D448 VanDerWaalsContact C-N 3.34Å; Y446-D448 PolarHBondContact O-N 3.02Å; D448-G452 PolarHBondContact O-N 3.46Å
449I95.6Very high96.5Very high3 Ų353 Ų532%0.01530%0.299CS..Hα-helixtrans-65.4-52.8177.1-69.3-60.2000110.7R237 Y238 V241 V430 F437 D445 Y446 G451 G452 W453R237-I449 HydrophobicContact CG-CD1 4.24Å; Y238-I449 HydrophobicContact CD1-CD1 4.46Å; Y238-I449 HydrophobicContact CE1-CD1 4.36Å; V241-I449 HydrophobicContact CG2-CD1 4.11Å; V241-I449 HydrophobicContact CG2-CG1 4.23Å; V241-I449 HydrophobicContact CG2-CG2 3.57Å; V430-I449 HydrophobicContact CG1-CG2 4.06Å; V430-I449 HydrophobicContact CG2-CG2 4.2Å; F437-I449 HydrophobicContact CZ-CG1 3.9Å; D445-I449 WeakPolarHBondContact O-CG1 3.38Å; D445-I449 PolarHBondContact O-N 3.48Å; Y446-I449 PolarHBondContact O-N 3.03Å; I449-G451 VanDerWaalsContact C-N 3.33Å; I449-G451 PolarHBondContact O-N 2.86Å; I449-G452 PolarHBondContact O-N 3.4Å; I449-W453 HydrophobicContact CB-CZ3 4.5Å; I449-W453 HydrophobicContact CD1-CE3 4.37Å; I449-W453 HydrophobicContact CD1-CH2 4.17Å; I449-W453 HydrophobicContact CD1-CZ3 3.54Å; I449-W453 HydrophobicContact CG2-CD2 4.47Å; I449-W453 HydrophobicContact CG2-CE3 3.89Å; I449-W453 HydrophobicContact CG2-CZ3 3.98Å; I449-W453 VanDerWaalsContact O-CE3 3.25Å; I449-W453 PolarHBondContact O-N 2.95Å
450V97.9Very high96.5Very high24 Ų2448.7 Ų48.715%0.14527%0.269CS..Hα-helixtrans-60.7-44.3-178.3168.90000111.2L427 V430 E431 Y446 S454L427-V450 HydrophobicContact CD1-CB 4.2Å; L427-V450 HydrophobicContact CD1-CG1 4.14Å; L427-V450 HydrophobicContact CD1-CG2 3.99Å; V430-V450 HydrophobicContact CG1-CG2 4.19Å; E431-V450 HydrophobicContact CG-CG2 4.42Å; Y446-V450 HydrophobicContact CD1-CG2 4.28Å; Y446-V450 HydrophobicContact CD2-CG2 4.38Å; Y446-V450 HydrophobicContact CE1-CG2 3.76Å; Y446-V450 HydrophobicContact CE2-CG2 3.9Å; Y446-V450 WeakPolarHBondContact O-CG2 3.45Å; Y446-V450 PolarHBondContact O-N 3.42Å; V450-S454 VanDerWaalsContact O-CB 3.3Å; V450-S454 WeakPolarHBondContact O-CB 3.45Å; V450-S454 PolarHBondContact O-N 3.01Å; V450-S454 PolarHBondContact O-OG 2.73Å
451G96.3Very high96.6Very high40 Ų4048.3 Ų48.341%0.41228%0.278SS..Hα-helixtrans-63.2-44.7176.300000112N447 I449 W453 S454 A455N447-G451 PolarHBondContact O-N 2.96Å; I449-G451 VanDerWaalsContact C-N 3.33Å; I449-G451 PolarHBondContact O-N 2.86Å; G451-W453 PolarHBondContact O-N 3.11Å; G451-S454 PolarHBondContact O-N 3.32Å; G451-A455 VanDerWaalsContact O-CB 3.32Å; G451-A455 WeakPolarHBondContact O-CB 3.49Å; G451-A455 PolarHBondContact O-N 2.79Å
452G93.7Very high96.7Very high32 Ų3249 Ų4933%0.3329%0.291SS..Hα-helixtrans-63.5-41178.500000113.7D448 I449 K456D448-G452 PolarHBondContact O-N 3.46Å; I449-G452 PolarHBondContact O-N 3.4Å; G452-K456 WeakPolarHBondContact O-CE 3.32Å; G452-K456 WeakPolarHBondContact O-CG 3.5Å; G452-K456 PolarHBondContact O-N 3.18Å; G452-K456 VanDerWaalsContact O-N 3.15Å
453W97.3Very high96.7Very high4 Ų448.5 Ų48.52%0.01529%0.291CS..Hα-helixtrans-71.9-42.2176.2-95.7-110.2000112.6Y238 V241 F242 L423 E426 L427 I449 G451 A455 K456 L457Y238-W453 AromaticContact CD1-CH2 3.79Å; Y238-W453 HydrophobicContact CD1-CH2 3.79Å; Y238-W453 HydrophobicContact CD1-CZ3 4.23Å; Y238-W453 AromaticContact CE1-CH2 3.87Å; Y238-W453 HydrophobicContact CE1-CH2 3.87Å; Y238-W453 AromaticContact CE1-CZ3 3.9Å; Y238-W453 HydrophobicContact CE1-CZ3 3.9Å; V241-W453 HydrophobicContact CB-CH2 3.98Å; V241-W453 HydrophobicContact CB-CZ2 3.94Å; V241-W453 HydrophobicContact CG1-CD2 4.39Å; V241-W453 HydrophobicContact CG1-CH2 3.72Å; V241-W453 HydrophobicContact CG1-CZ2 3.23Å; V241-W453 HydrophobicContact CG2-CH2 4.25Å; F242-W453 HydrophobicContact CD1-CZ2 4.27Å; F242-W453 HydrophobicContact CE1-CH2 4.39Å; F242-W453 AromaticContact CE1-CZ2 3.65Å; F242-W453 HydrophobicContact CE1-CZ2 3.65Å; F242-W453 HydrophobicContact CE2-CH2 4.02Å; F242-W453 HydrophobicContact CE2-CZ2 4.08Å; F242-W453 AromaticContact CZ-CH2 3.85Å; F242-W453 HydrophobicContact CZ-CH2 3.85Å; F242-W453 AromaticContact CZ-CZ2 3.55Å; F242-W453 HydrophobicContact CZ-CZ2 3.55Å; L423-W453 HydrophobicContact CD2-CG 4.26Å; E426-W453 PolarHBondContact OE2-NE1 3.43Å; L427-W453 HydrophobicContact CB-CB 4.2Å; L427-W453 HydrophobicContact CB-CG 4.5Å; L427-W453 HydrophobicContact CD1-CB 4.01Å; L427-W453 HydrophobicContact CD2-CB 4.31Å; L427-W453 HydrophobicContact CG-CB 4.41Å; I449-W453 HydrophobicContact CB-CZ3 4.5Å; I449-W453 HydrophobicContact CD1-CE3 4.37Å; I449-W453 HydrophobicContact CD1-CH2 4.17Å; I449-W453 HydrophobicContact CD1-CZ3 3.54Å; I449-W453 HydrophobicContact CG2-CD2 4.47Å; I449-W453 HydrophobicContact CG2-CE3 3.89Å; I449-W453 HydrophobicContact CG2-CZ3 3.98Å; I449-W453 VanDerWaalsContact O-CE3 3.25Å; I449-W453 PolarHBondContact O-N 2.95Å; G451-W453 PolarHBondContact O-N 3.11Å; W453-A455 VanDerWaalsContact C-N 3.33Å; W453-A455 PolarHBondContact O-N 3.24Å; W453-K456 VanDerWaalsContact CD2-NZ 3.33Å; W453-K456 WeakPolarHBondContact O-CB 3.32Å; W453-K456 PolarHBondContact O-N 2.97Å; W453-L457 PolarHBondContact O-N 2.75Å
454S97.6Very high96.8Very high40 Ų4046 Ų4628%0.2828%0.279SS..Hα-helixtrans-59.4-45.3175.2-59.50000111.2V450 G451 K456 L457 E458V450-S454 VanDerWaalsContact O-CB 3.3Å; V450-S454 WeakPolarHBondContact O-CB 3.45Å; V450-S454 PolarHBondContact O-N 3.01Å; V450-S454 PolarHBondContact O-OG 2.73Å; G451-S454 PolarHBondContact O-N 3.32Å; S454-K456 VanDerWaalsContact C-N 3.33Å; S454-K456 PolarHBondContact O-N 2.82Å; S454-L457 WeakPolarHBondContact O-CB 3.18Å; S454-L457 PolarHBondContact O-N 2.84Å; S454-L457 VanDerWaalsContact O-N 3.09Å; S454-E458 WeakPolarHBondContact O-CG 3.46Å; S454-E458 PolarHBondContact O-N 3.22Å
455A96Very high96.9Very high26 Ų2639 Ų3922%0.21525%0.247CC..Hα-helixtrans-65.1-34.5177.400000112.8G451 W453 E458 R459G451-A455 VanDerWaalsContact O-CB 3.32Å; G451-A455 WeakPolarHBondContact O-CB 3.49Å; G451-A455 PolarHBondContact O-N 2.79Å; W453-A455 VanDerWaalsContact C-N 3.33Å; W453-A455 PolarHBondContact O-N 3.24Å; A455-E458 PolarHBondContact O-N 3.4Å; A455-R459 WeakPolarHBondContact O-CG 3.37Å; A455-R459 PolarHBondContact O-N 2.94Å; A455-R459 PolarHBondContact O-NH1 3.46Å
456K96.7Very high97Very high13 Ų1339.9 Ų39.96%0.05725%0.249CC..Hα-helixtrans-64.1-41.2171.5-77.1-178.5-69.9174.40111.3F419 L423 G452 W453 S454 R459 T460F419-K456 HydrophobicContact CZ-CD 4.22Å; L423-K456 HydrophobicContact CD1-CB 3.77Å; L423-K456 HydrophobicContact CD2-CB 4.18Å; L423-K456 HydrophobicContact CD2-CD 3.89Å; G452-K456 WeakPolarHBondContact O-CE 3.32Å; G452-K456 WeakPolarHBondContact O-CG 3.5Å; G452-K456 PolarHBondContact O-N 3.18Å; G452-K456 VanDerWaalsContact O-N 3.15Å; W453-K456 VanDerWaalsContact CD2-NZ 3.33Å; W453-K456 WeakPolarHBondContact O-CB 3.32Å; W453-K456 PolarHBondContact O-N 2.97Å; S454-K456 VanDerWaalsContact C-N 3.33Å; S454-K456 PolarHBondContact O-N 2.82Å; K456-R459 VanDerWaalsContact CG-NH2 3.31Å; K456-R459 PolarHBondContact O-N 3.45Å; K456-T460 WeakPolarHBondContact O-CB 3.28Å; K456-T460 VanDerWaalsContact O-CG2 3.29Å; K456-T460 WeakPolarHBondContact O-CG2 3.34Å; K456-T460 PolarHBondContact O-N 3.5Å; K456-T460 PolarHBondContact O-OG1 2.79Å
457L98.1Very high97.1Very high30 Ų3039 Ų3916%0.15725%0.246CC..Hα-helixtrans-64.6-39.3176.2-73.9168000112.1V420 L423 R424 L427 W453 S454 T460 A461V420-L457 HydrophobicContact CG1-CD2 4.06Å; L423-L457 HydrophobicContact CB-CD2 3.69Å; L423-L457 HydrophobicContact CB-CG 4.05Å; L423-L457 HydrophobicContact CD1-CD2 4.14Å; L423-L457 HydrophobicContact CD1-CG 4.35Å; R424-L457 HydrophobicContact CG-CD1 4.16Å; R424-L457 HydrophobicContact CG-CD2 3.73Å; L427-L457 HydrophobicContact CD2-CD1 3.85Å; W453-L457 PolarHBondContact O-N 2.75Å; S454-L457 WeakPolarHBondContact O-CB 3.18Å; S454-L457 PolarHBondContact O-N 2.84Å; S454-L457 VanDerWaalsContact O-N 3.09Å; L457-T460 VanDerWaalsContact CA-OG1 3.32Å; L457-T460 WeakPolarHBondContact CA-OG1 3.38Å; L457-T460 PolarHBondContact O-OG1 2.94Å; L457-A461 WeakPolarHBondContact O-CB 3.34Å; L457-A461 PolarHBondContact O-N 2.86Å
458E97.7Very high97.2Very high134 Ų13435 Ų3563%0.62622%0.224SC*.Hα-helixtrans-63.9-48.8175.4-72.7173.8173.700111.7S454 A455 T460 A461 S462S454-E458 WeakPolarHBondContact O-CG 3.46Å; S454-E458 PolarHBondContact O-N 3.22Å; A455-E458 PolarHBondContact O-N 3.4Å; E458-T460 VanDerWaalsContact C-N 3.31Å; E458-T460 PolarHBondContact O-N 3.39Å; E458-A461 PolarHBondContact O-N 2.91Å; E458-S462 PolarHBondContact O-N 2.94Å; E458-S462 PolarHBondContact O-OG 3.47Å
459R98Very high97.4Very high34 Ų3430.8 Ų30.813%0.12820%0.202CC..Hα-helixtrans-66.5-30.6179.2-68.9-171.6-60.5-86.8-2.2113.8F381 A455 K456 S462 E464 Q465F381-R459 VanDerWaalsContact CD2-CD 3.41Å; A455-R459 WeakPolarHBondContact O-CG 3.37Å; A455-R459 PolarHBondContact O-N 2.94Å; A455-R459 PolarHBondContact O-NH1 3.46Å; K456-R459 VanDerWaalsContact CG-NH2 3.31Å; K456-R459 PolarHBondContact O-N 3.45Å; R459-S462 WeakPolarHBondContact CA-OG 3.39Å; R459-S462 PolarHBondContact O-OG 2.93Å; R459-S462 VanDerWaalsContact O-OG 3.04Å; R459-E464 PolarHBondContact O-N 3.38Å; R459-Q465 HydrophobicContact CB-CB 3.72Å; R459-Q465 PolarHBondContact O-N 3.11Å
460T97.8Very high97.5Very high9 Ų930.7 Ų30.76%0.05520%0.201CC..Hα-helixtrans-75.7-38.3174.1480000110.9T416 F419 V420 K456 L457 E458 G463 Q465T416-T460 HydrophobicContact CG2-CG2 4.08Å; F419-T460 HydrophobicContact CD1-CG2 3.68Å; F419-T460 HydrophobicContact CE1-CG2 3.85Å; V420-T460 HydrophobicContact CG2-CG2 4.25Å; V420-T460 WeakPolarHBondContact CG2-OG1 3.27Å; K456-T460 WeakPolarHBondContact O-CB 3.28Å; K456-T460 VanDerWaalsContact O-CG2 3.29Å; K456-T460 WeakPolarHBondContact O-CG2 3.34Å; K456-T460 PolarHBondContact O-N 3.5Å; K456-T460 PolarHBondContact O-OG1 2.79Å; L457-T460 VanDerWaalsContact CA-OG1 3.32Å; L457-T460 WeakPolarHBondContact CA-OG1 3.38Å; L457-T460 PolarHBondContact O-OG1 2.94Å; E458-T460 VanDerWaalsContact C-N 3.31Å; E458-T460 PolarHBondContact O-N 3.39Å; T460-G463 WeakPolarHBondContact O-CA 3.44Å; T460-G463 PolarHBondContact O-N 3.23Å; T460-G463 VanDerWaalsContact O-N 3.09Å; T460-Q465 HydrophobicContact CG2-CB 4.18Å; T460-Q465 WeakPolarHBondContact CG2-O 3.45Å; T460-Q465 HydrophobicContact CG2-CG 4.41Å
461A97Very high97.6Very high85 Ų8530.3 Ų30.370%0.70220%0.198SC*.Hα-helixtrans-68.9-33.6175.600000113.5L457 E458 G463L457-A461 WeakPolarHBondContact O-CB 3.34Å; L457-A461 PolarHBondContact O-N 2.86Å; E458-A461 PolarHBondContact O-N 2.91Å; A461-G463 PolarHBondContact O-N 3.02Å
462S96.9Very high97.7Very high72 Ų7228.4 Ų28.450%0.50318%0.179SC..THydrogen-bonded Turntrans-70.5-9.517169.20000112.8E458 R459 E464E458-S462 PolarHBondContact O-N 2.94Å; E458-S462 PolarHBondContact O-OG 3.47Å; R459-S462 WeakPolarHBondContact CA-OG 3.39Å; R459-S462 PolarHBondContact O-OG 2.93Å; R459-S462 VanDerWaalsContact O-OG 3.04Å; S462-E464 WeakPolarHBondContact OG-CG 3.3Å; S462-E464 PolarHBondContact OG-OE2 3.49Å; S462-E464 VanDerWaalsContact OG-OE2 3.06Å
463G97Very high97.9Very high25 Ų2528.5 Ų28.526%0.25817%0.172SC..THydrogen-bonded Turntrans84.84.6-179.900000114S373 T460 A461 K466S373-G463 VanDerWaalsContact CB-O 3.29Å; S373-G463 WeakPolarHBondContact CB-O 3.49Å; T460-G463 WeakPolarHBondContact O-CA 3.44Å; T460-G463 PolarHBondContact O-N 3.23Å; T460-G463 VanDerWaalsContact O-N 3.09Å; A461-G463 PolarHBondContact O-N 3.02Å; G463-K466 WeakPolarHBondContact O-CE 3.41Å; G463-K466 PolarHBondContact O-NZ 3.27Å
464E98.1Very high98Very high33 Ų3329.2 Ų29.215%0.15418%0.175CC..  trans-84.1-53.3-173-68.1-176.294.200114R372 S373 S378 F381 R459 S462R372-E464 CarbonylContact C-O 3.54Å; R372-E464 VanDerWaalsContact CA-O 3.27Å; R372-E464 WeakPolarHBondContact CA-O 3.49Å; S373-E464 PolarHBondContact N-O 3.46Å; S378-E464 WeakPolarHBondContact CB-OE1 3.49Å; S378-E464 PolarHBondContact N-OE1 3.04Å; S378-E464 PolarHBondContact OG-OE1 3Å; S378-E464 PolarHBondContact OG-OE2 3.46Å; F381-E464 HydrophobicContact CD1-CB 3.74Å; F381-E464 HydrophobicContact CE1-CB 4Å; F381-E464 HydrophobicContact CG-CB 4.49Å; R459-E464 PolarHBondContact O-N 3.38Å; S462-E464 WeakPolarHBondContact OG-CG 3.3Å; S462-E464 PolarHBondContact OG-OE2 3.49Å; S462-E464 VanDerWaalsContact OG-OE2 3.06Å
465Q98.5Very high97.6Very high1 Ų135.1 Ų35.11%0.00520%0.195CC..EExtended strand (participates in β ladder)trans-85134.4-179.8-176.3170.6-9.700109.8F381 R459 T460F381-Q465 HydrophobicContact CE2-CB 4.19Å; F381-Q465 HydrophobicContact CE2-CG 4.45Å; F381-Q465 HydrophobicContact CZ-CB 3.89Å; F381-Q465 HydrophobicContact CZ-CG 4.26Å; R459-Q465 HydrophobicContact CB-CB 3.72Å; R459-Q465 PolarHBondContact O-N 3.11Å; T460-Q465 HydrophobicContact CG2-CB 4.18Å; T460-Q465 WeakPolarHBondContact CG2-O 3.45Å; T460-Q465 HydrophobicContact CG2-CG 4.41Å
466K98.7Very high97.7Very high40 Ų4035.6 Ų35.617%0.17419%0.194CC..EExtended strand (participates in β ladder)trans-126.3164.4-176.8-58.5-63.5-178.9-171.30111.5C371 R372 T416 G463C371-K466 HydrophobicContact CB-CB 3.7Å; C371-K466 PolarHBondContact N-O 2.79Å; C371-K466 PolarHBondContact O-N 2.97Å; R372-K466 VanDerWaalsContact C-CG 3.46Å; T416-K466 HydrophobicContact CG2-CD 4.08Å; T416-K466 VanDerWaalsContact OG1-CA 3.24Å; T416-K466 WeakPolarHBondContact OG1-CA 3.4Å; T416-K466 VanDerWaalsContact OG1-CD 3.24Å; T416-K466 WeakPolarHBondContact OG1-CD 3.49Å; G463-K466 WeakPolarHBondContact O-CE 3.41Å; G463-K466 PolarHBondContact O-NZ 3.27Å
467W98.8Very high97.7Very high1 Ų136.7 Ų36.70%0.00420%0.202CC..EExtended strand (participates in β ladder)trans-134.2121.8172.1-171.153.9000109.9T249 T254 F258 D340 T368 Y370 R415 T416 Q418 F419T249-W467 HydrophobicContact CG2-CD2 4.36Å; T249-W467 HydrophobicContact CG2-CE3 4.47Å; T249-W467 HydrophobicContact CG2-CH2 3.79Å; T249-W467 HydrophobicContact CG2-CZ2 3.69Å; T249-W467 HydrophobicContact CG2-CZ3 4.21Å; T254-W467 HydrophobicContact CG2-CH2 4.18Å; F258-W467 AromaticContact CE2-CH2 3.55Å; F258-W467 HydrophobicContact CE2-CH2 3.55Å; F258-W467 AromaticContact CE2-CZ2 3.9Å; F258-W467 HydrophobicContact CE2-CZ2 3.9Å; F258-W467 AromaticContact CZ-CH2 3.43Å; F258-W467 HydrophobicContact CZ-CH2 3.43Å; F258-W467 VanDerWaalsContact CZ-CH2 3.43Å; F258-W467 HydrophobicContact CZ-CZ2 4.16Å; F258-W467 HydrophobicContact CZ-CZ3 4.06Å; D340-W467 PolarHBondContact OD1-NE1 3.41Å; T368-W467 HydrophobicContact CG2-CZ2 3.97Å; Y370-W467 AromaticContact CD1-CD1 3.82Å; R415-W467 CarbonylContact C-O 3.59Å; R415-W467 WeakPolarHBondContact CA-O 3.3Å; R415-W467 HydrophobicContact CB-CD2 4.44Å; R415-W467 HydrophobicContact CB-CE3 3.53Å; R415-W467 HydrophobicContact CB-CZ3 3.92Å; R415-W467 PolarHBondContact N-O 3.47Å; T416-W467 PolarHBondContact N-O 3.44Å; T416-W467 PolarHBondContact OG1-N 2.91Å; T416-W467 VanDerWaalsContact OG1-N 3.08Å; Q418-W467 HydrophobicContact CB-CZ3 4.48Å; Q418-W467 HydrophobicContact CG-CZ3 4.23Å; F419-W467 HydrophobicContact CB-CB 3.68Å; F419-W467 HydrophobicContact CB-CD2 4.12Å; F419-W467 HydrophobicContact CB-CE3 3.83Å; F419-W467 HydrophobicContact CB-CG 4.11Å; F419-W467 HydrophobicContact CD1-CB 3.99Å; F419-W467 HydrophobicContact CD2-CB 4.32Å; F419-W467 HydrophobicContact CD2-CD2 4.3Å; F419-W467 HydrophobicContact CD2-CG 4.2Å; F419-W467 HydrophobicContact CG-CB 3.76Å; F419-W467 HydrophobicContact CG-CD2 4.41Å; F419-W467 HydrophobicContact CG-CG 4.11Å
468G98.8Very high97.7Very high0 Ų037.1 Ų37.10%020%0.204CC..EExtended strand (participates in β ladder)trans-107142.7-175.800000112.3T368 D369 E413T368-G468 VanDerWaalsContact CA-O 3.25Å; T368-G468 WeakPolarHBondContact CA-O 3.43Å; D369-G468 PolarHBondContact N-O 3.31Å; D369-G468 PolarHBondContact O-N 3.05Å; E413-G468 WeakPolarHBondContact O-CA 3.48Å
469L98.9Very high97.7Very high0 Ų031.4 Ų31.40%018%0.179CC..EExtended strand (participates in β ladder)trans-110.2124.5162.517067.8000108.6F258 K261 L366 T368 E413 R415 I471F258-L469 HydrophobicContact CD1-CD1 3.97Å; F258-L469 HydrophobicContact CD1-CD2 3.91Å; F258-L469 HydrophobicContact CE1-CD1 4.22Å; F258-L469 HydrophobicContact CE1-CD2 3.8Å; F258-L469 HydrophobicContact CE1-CG 4.5Å; F258-L469 HydrophobicContact CG-CD1 4.27Å; K261-L469 HydrophobicContact CD-CD2 4.21Å; L366-L469 HydrophobicContact CD2-CD1 4.08Å; L366-L469 HydrophobicContact CG-CD1 4.17Å; T368-L469 HydrophobicContact CG2-CD1 3.87Å; E413-L469 HydrophobicContact CB-CB 4.29Å; E413-L469 PolarHBondContact N-O 2.92Å; E413-L469 PolarHBondContact O-N 3.45Å; R415-L469 HydrophobicContact CG-CB 3.94Å; L469-I471 HydrophobicContact CD1-CD1 4.46Å; L469-I471 HydrophobicContact CD1-CG1 4.27Å; L469-I471 HydrophobicContact CD2-CD1 4.3Å; L469-I471 HydrophobicContact CG-CD1 4.39Å; L469-I471 HydrophobicContact CG-CG1 4.36Å
470F98.9Very high97.7Very high1 Ų131.3 Ų31.30%0.00418%0.182CC..EExtended strand (participates in β ladder)trans-120.6131-179.1-49.6-80.4000110.1L366 I367 D369 V395 Y398 L402 I411 A412L366-F470 CarbonylContact C-O 3.57Å; L366-F470 WeakPolarHBondContact CA-O 3.44Å; I367-F470 HydrophobicContact CB-CB 4.3Å; I367-F470 HydrophobicContact CB-CD2 4.32Å; I367-F470 HydrophobicContact CG2-CD2 4.24Å; I367-F470 PolarHBondContact N-O 3.11Å; I367-F470 PolarHBondContact O-N 3.48Å; D369-F470 HydrophobicContact CB-CE2 4.3Å; V395-F470 HydrophobicContact CG1-CE1 3.76Å; V395-F470 HydrophobicContact CG1-CZ 4.08Å; V395-F470 WeakPolarHBondContact O-CE1 3.39Å; Y398-F470 AromaticContact CD1-CD1 3.88Å; Y398-F470 HydrophobicContact CD1-CD1 3.88Å; Y398-F470 AromaticContact CD1-CD2 3.78Å; Y398-F470 HydrophobicContact CD1-CD2 3.78Å; Y398-F470 AromaticContact CD1-CE1 3.78Å; Y398-F470 HydrophobicContact CD1-CE1 3.78Å; Y398-F470 AromaticContact CD1-CE2 3.66Å; Y398-F470 HydrophobicContact CD1-CE2 3.66Å; Y398-F470 AromaticContact CD1-CG 3.88Å; Y398-F470 HydrophobicContact CD1-CG 3.88Å; Y398-F470 AromaticContact CD1-CZ 3.67Å; Y398-F470 HydrophobicContact CD1-CZ 3.67Å; Y398-F470 HydrophobicContact CD2-CE2 4.04Å; Y398-F470 AromaticContact CD2-CZ 3.99Å; Y398-F470 HydrophobicContact CD2-CZ 3.99Å; Y398-F470 AromaticContact CE1-CD2 3.74Å; Y398-F470 HydrophobicContact CE1-CD2 3.74Å; Y398-F470 AromaticContact CE1-CE2 3.86Å; Y398-F470 HydrophobicContact CE1-CE2 3.86Å; Y398-F470 HydrophobicContact CE1-CG 4.12Å; Y398-F470 HydrophobicContact CE1-CZ 4.34Å; Y398-F470 HydrophobicContact CE2-CE2 4.21Å; Y398-F470 HydrophobicContact CG-CD1 4.4Å; Y398-F470 HydrophobicContact CG-CD2 4.36Å; Y398-F470 AromaticContact CG-CE1 3.82Å; Y398-F470 HydrophobicContact CG-CE1 3.82Å; Y398-F470 AromaticContact CG-CE2 3.77Å; Y398-F470 HydrophobicContact CG-CE2 3.77Å; Y398-F470 AromaticContact CG-CZ 3.46Å; Y398-F470 HydrophobicContact CG-CZ 3.46Å; Y398-F470 VanDerWaalsContact CG-CZ 3.46Å; L402-F470 HydrophobicContact CD1-CB 3.74Å; L402-F470 HydrophobicContact CD1-CG 4.33Å; I411-F470 VanDerWaalsContact O-CA 3.28Å; I411-F470 WeakPolarHBondContact O-CA 3.47Å; A412-F470 HydrophobicContact CB-CD1 3.74Å; A412-F470 HydrophobicContact CB-CE1 3.89Å
471I98.8Very high97.7Very high16 Ų1632.7 Ų32.78%0.08219%0.191CC..EExtended strand (participates in β ladder)trans-135.7134.5177.1-54.2172.4000107.7K261 V365 L366 V410 I411 L469K261-I471 HydrophobicContact CB-CD1 4.11Å; K261-I471 HydrophobicContact CD-CD1 3.65Å; K261-I471 HydrophobicContact CG-CD1 4.48Å; V365-I471 WeakPolarHBondContact O-CA 3.26Å; L366-I471 HydrophobicContact CD1-CD1 4.06Å; L366-I471 HydrophobicContact CD1-CG1 4Å; L366-I471 HydrophobicContact CG-CG1 4.03Å; V410-I471 WeakPolarHBondContact CA-O 3.47Å; I411-I471 HydrophobicContact CB-CB 4.28Å; I411-I471 PolarHBondContact N-O 3.26Å; I411-I471 PolarHBondContact O-N 3.25Å; L469-I471 HydrophobicContact CD1-CD1 4.46Å; L469-I471 HydrophobicContact CD1-CG1 4.27Å; L469-I471 HydrophobicContact CD2-CD1 4.3Å; L469-I471 HydrophobicContact CG-CD1 4.39Å; L469-I471 HydrophobicContact CG-CG1 4.36Å
472A98.8Very high97.7Very high0 Ų029 Ų290%015%0.154CC..EExtended strand (participates in β ladder)trans-150.6161173.400000111.9K364 V365 F407 V410K364-A472 WeakPolarHBondContact CA-O 3.2Å; V365-A472 HydrophobicContact CG1-CB 3.76Å; V365-A472 PolarHBondContact N-O 3Å; V365-A472 PolarHBondContact O-N 3.29Å; F407-A472 HydrophobicContact CB-CB 3.68Å; F407-A472 HydrophobicContact CD1-CB 4.25Å; F407-A472 HydrophobicContact CG-CB 4.14Å; V410-A472 HydrophobicContact CB-CB 4.27Å; V410-A472 HydrophobicContact CG1-CB 4.44Å; V410-A472 HydrophobicContact CG2-CB 3.72Å
473D98.6Very high97.8Very high34 Ų3425.7 Ų25.718%0.18213%0.128CC..EExtended strand (participates in β ladder)trans-110152178.9-67.5-72.8000110.5G363 K364 D408G363-D473 WeakPolarHBondContact O-CA 3.09Å; K364-D473 VanDerWaalsContact CE-OD1 3.29Å; K364-D473 WeakPolarHBondContact CE-OD1 3.38Å; K364-D473 WeakPolarHBondContact CG-OD1 3.38Å; K364-D473 IonicContact NZ-OD1 3.64Å; K364-D473 PolarHBondContact NZ-OD1 3.37Å; D408-D473 PolarHBondContact N-O 2.96Å; D408-D473 PolarHBondContact O-N 2.83Å
474K98.4Very high97.8Very high19 Ų1925.8 Ų25.88%0.08312%0.117CC..  trans-103.9116.5161.6173.3177.6178.5-179.50107.9N331 F356 L359 G362 G363N331-K474 PolarHBondContact OD1-NZ 3.05Å; N331-K474 VanDerWaalsContact OD1-NZ 3.11Å; F356-K474 HydrophobicContact CD2-CD 4.35Å; F356-K474 HydrophobicContact CD2-CG 4.29Å; F356-K474 HydrophobicContact CE2-CB 4.16Å; F356-K474 HydrophobicContact CE2-CD 4.15Å; F356-K474 HydrophobicContact CE2-CG 3.72Å; F356-K474 HydrophobicContact CZ-CD 4.3Å; F356-K474 HydrophobicContact CZ-CG 4.01Å; F356-K474 VanDerWaalsContact O-CD 3.31Å; F356-K474 WeakPolarHBondContact O-CD 3.36Å; F356-K474 WeakPolarHBondContact O-CE 3.45Å; F356-K474 PolarHBondContact O-NZ 3.24Å; L359-K474 HydrophobicContact CB-CD 4.13Å; L359-K474 HydrophobicContact CD2-CB 3.83Å; L359-K474 HydrophobicContact CG-CB 4.43Å; L359-K474 WeakPolarHBondContact O-CD 3.49Å; L359-K474 WeakPolarHBondContact O-CE 3.41Å; L359-K474 PolarHBondContact O-NZ 3.06Å; G362-K474 VanDerWaalsContact CA-O 3.29Å; G362-K474 WeakPolarHBondContact CA-O 3.19Å; G362-K474 PolarHBondContact N-O 3.19Å; G363-K474 PolarHBondContact O-N 2.92Å
475K88.8Confident97.8Very high164 Ų16425.1 Ų25.171%0.71311%0.113SC*.  trans-84.60178.4-69.4-173.7178.8168.20113.8D408 D409D408-K475 HydrophobicContact CB-CD 4.06Å; D408-K475 HydrophobicContact CB-CG 4.1Å; D409-K475 IonicContact OD1-NZ 2.76Å; D409-K475 WeakPolarHBondContact OD2-CE 3.42Å; D409-K475 IonicContact OD2-NZ 3.39Å; D409-K475 PolarHBondContact OD2-NZ 2.83Å

Retrieved 475 of 475 residues in 3481.7 ms (Link to these results)

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