A0A077ZIL5_TRITR Loading...

Prolyl endopeptidase

Serine peptidase whose precise substrate specificity remains unclear. Does not cleave peptides after a arginine or lysine residue. Regulates trans-Golgi network morphology and sorting by regulating the membrane binding of the AP-1 complex. May play a role in the regulation of synaptic vesicle exocytosis.

AlphaFold DB , UniProt , Accession A0A077ZIL5, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 633 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
1M70.5Confident91.9Very high189 Ų18989.6 Ų89.693%0.93148%0.476SS*.  0146.50-162.9176.4-74.100109R49M1-R49 PolarHBondContact O-NH2 3.06Å
2L87.2Confident92.2Very high80 Ų8085.2 Ų85.242%0.41945%0.451SS..  trans-78.2125.4176.2-96.3160.8000109.5Y46 R630L2-Y46 HydrophobicContact CB-CE2 4.4Å; L2-Y46 HydrophobicContact CD2-CD1 4Å; L2-Y46 HydrophobicContact CD2-CD2 3.94Å; L2-Y46 HydrophobicContact CD2-CE1 3.41Å; L2-Y46 VanDerWaalsContact CD2-CE1 3.41Å; L2-Y46 HydrophobicContact CD2-CE2 3.39Å; L2-Y46 HydrophobicContact CD2-CG 4.26Å; L2-Y46 WeakPolarHBondContact CD2-OH 3.42Å; L2-Y46 HydrophobicContact CG-CD2 4.2Å; L2-Y46 HydrophobicContact CG-CE1 4.43Å; L2-Y46 HydrophobicContact CG-CE2 3.52Å; L2-R630 VanDerWaalsContact CD2-NH2 3.31Å; L2-R630 PolarHBondContact O-NH1 3.15Å
3P92.3Very high92.6Very high11 Ų1185.9 Ų85.97%0.07146%0.462CS..  trans-57.4132.3-177.4-26.535.8000112.4Y39 Q42 E43 Y46 R630P3-Y39 HydrophobicContact CB-CD2 4.48Å; P3-Y39 HydrophobicContact CB-CE2 4.13Å; P3-Q42 HydrophobicContact CB-CB 3.79Å; P3-Q42 VanDerWaalsContact CG-C 3.47Å; P3-Q42 HydrophobicContact CG-CB 3.85Å; P3-Q42 VanDerWaalsContact CG-O 3.26Å; P3-Q42 WeakPolarHBondContact CG-O 3.5Å; P3-E43 HydrophobicContact CB-CG 4.22Å; P3-E43 HydrophobicContact CG-CG 4.35Å; P3-Y46 HydrophobicContact CG-CG 4.45Å; P3-R630 PolarHBondContact O-NH1 3.33Å; P3-R630 PolarHBondContact O-NH2 3.3Å
4K93.2Very high92.8Very high164 Ų16482.8 Ų82.871%0.71344%0.444SS*.  trans-113.7110.5-177.9-73-179.9-179.3-172.10109.7
5A92.3Very high93.1Very high18 Ų1882.7 Ų82.715%0.14944%0.44CS..  trans-56.4140.4170.900000111.1Y23 W25 Y39A5-Y23 HydrophobicContact CB-CD1 3.93Å; A5-Y23 HydrophobicContact CB-CE1 3.89Å; A5-W25 HydrophobicContact CB-CZ2 4.38Å; A5-Y39 HydrophobicContact CB-CD2 4.41Å; A5-Y39 HydrophobicContact CB-CE1 3.89Å; A5-Y39 HydrophobicContact CB-CE2 3.83Å
6A93.7Very high93.3Very high53 Ų5382.4 Ų82.444%0.43846%0.462SS..  trans-60.8139.8166.500000109.5I8 W25A6-I8 HydrophobicContact CB-CD1 4.47Å; A6-I8 HydrophobicContact CB-CG1 4.26Å; A6-W25 HydrophobicContact CB-CZ2 4.11Å; A6-W25 PolarHBondContact O-NE1 3.22Å
7R95.2Very high93.6Very high152 Ų15279.8 Ų79.857%0.57445%0.447SS*.  trans-98.1103.9172.9-64.4-176.474.2-165.8-0.2107.6N22 Y23R7-N22 HydrophobicContact CB-CB 4.08Å; R7-N22 HydrophobicContact CG-CB 4.3Å; R7-N22 PolarHBondContact NH2-ND2 2.94Å; R7-N22 VanDerWaalsContact NH2-ND2 3.13Å; R7-Y23 HydrophobicContact CG-CE1 3.8Å
8I95.9Very high93.8Very high80 Ų8079.7 Ų79.741%0.4145%0.449SS..  trans-112.8101.7179.1-56.4180000106.4A6 H10 N22 W25A6-I8 HydrophobicContact CB-CD1 4.47Å; A6-I8 HydrophobicContact CB-CG1 4.26Å; I8-H10 PolarHBondContact O-N 3.24Å; I8-N22 PolarHBondContact N-O 3.26Å; I8-N22 CarbonylContact O-C 3.55Å; I8-W25 HydrophobicContact CB-CG 4.4Å; I8-W25 HydrophobicContact CD1-CB 4.11Å; I8-W25 HydrophobicContact CD1-CD2 4.22Å; I8-W25 HydrophobicContact CD1-CG 3.8Å; I8-W25 HydrophobicContact CG1-CG 4.33Å
9P96.9Very high93.9Very high97 Ų9776.5 Ų76.563%0.6343%0.429SS*.  trans-60.8120.6-175.7-23.634000111.6I20P9-I20 HydrophobicContact CB-CG2 3.95Å
10H96.2Very high94.1Very high74 Ų7477.9 Ų77.934%0.34343%0.434SS..EExtended strand (participates in β ladder)trans-117.8113170.5-17279.5000108.6I8 I20 D21 Y24I8-H10 PolarHBondContact O-N 3.24Å; H10-I20 WeakPolarHBondContact O-CA 3.48Å; H10-D21 WeakPolarHBondContact CB-O 3.3Å; H10-D21 PolarHBondContact N-O 2.93Å; H10-D21 PolarHBondContact O-N 3.48Å; H10-Y24 HydrophobicContact CB-CD1 4.44Å; H10-Y24 HydrophobicContact CB-CG 4.16Å; H10-Y24 AromaticContact CD2-CD1 3.74Å; H10-Y24 AromaticContact CD2-CD2 3.84Å; H10-Y24 AromaticContact CD2-CG 3.59Å; H10-Y24 AromaticContact CG-CD1 3.81Å; H10-Y24 AromaticContact CG-CG 3.82Å; H10-Y24 AromaticContact ND1-CD1 3.97Å; H10-Y24 AromaticContact NE2-CD1 3.91Å; H10-Y24 AromaticContact NE2-CE1 3.83Å
11A97.2Very high94.1Very high68 Ų6874.5 Ų74.556%0.56242%0.415SS*.EExtended strand (participates in β ladder)trans-91.2127.4-177.900000110.4T18A11-T18 HydrophobicContact CB-CG2 4.34Å
12M96Very high95.3Very high36 Ų3666.9 Ų66.918%0.17738%0.378CS..EExtended strand (participates in β ladder)trans-121.5125.1174.2-63177-74.200108.4T18 R19 D21 Y24 T563M12-T18 CarbonylContact O-C 3.59Å; M12-T18 WeakPolarHBondContact O-CA 3.28Å; M12-R19 PolarHBondContact N-O 3.44Å; M12-R19 PolarHBondContact O-N 3.18Å; M12-D21 HydrophobicContact CE-CB 3.67Å; M12-Y24 HydrophobicContact SD-CD2 4.37Å; M12-Y24 HydrophobicContact SD-CE2 4.2Å; M12-T563 HydrophobicContact CE-CG2 3.77Å; M12-T563 HydrophobicContact SD-CG2 3.75Å
13T96.8Very high95.7Very high95 Ų9564.1 Ų64.158%0.58336%0.362SS*.EExtended strand (participates in β ladder)trans-118.7124.6-178.9-58.50000110D17 T18T13-D17 WeakPolarHBondContact CA-O 3.45Å; T13-T18 PolarHBondContact OG1-OG1 3.47Å
14L95.8Very high95.8Very high42 Ų4266.8 Ų66.822%0.2237%0.371CS..EExtended strand (participates in β ladder)trans-145.3145.2173.1-169.671.7000109.4G16 D17 L566 P583 Y589L14-G16 PolarHBondContact O-N 2.82Å; L14-D17 PolarHBondContact N-O 2.91Å; L14-D17 PolarHBondContact O-N 3.46Å; L14-L566 HydrophobicContact CD2-CD1 3.98Å; L14-L566 HydrophobicContact CD2-CD2 3.31Å; L14-L566 HydrophobicContact CD2-CG 4.3Å; L14-P583 WeakPolarHBondContact CD2-O 3.45Å; L14-Y589 HydrophobicContact CB-CE2 4.34Å; L14-Y589 HydrophobicContact CD2-CD2 3.86Å; L14-Y589 HydrophobicContact CD2-CE2 4.08Å
15H97.8Very high95.8Very high82 Ų8261 Ų6138%0.3835%0.345SS..THydrogen-bonded Turntrans53.124.2179.5-55.2-45.1000115.2D17 P583 Q584 P586 Y589H15-D17 VanDerWaalsContact C-N 3.29Å; H15-P583 PolarHBondContact NE2-O 2.93Å; H15-Q584 PolarHBondContact CE1-O 3.46Å; H15-Q584 PolarHBondContact NE2-O 2.7Å; H15-P586 HydrophobicContact CB-CB 4.48Å; H15-Y589 AromaticContact CD2-CG 3.7Å
16G96.6Very high95.9Very high77 Ų7760.2 Ų60.279%0.79434%0.339SS*.THydrogen-bonded Turntrans80.32.7-176.100000115.1L14L14-G16 PolarHBondContact O-N 2.82Å
17D97.3Very high95.8Very high39 Ų3959.8 Ų59.821%0.20933%0.326CS..EExtended strand (participates in β ladder)trans-101.8125.3174.4176.754.5000110.3T13 L14 H15 Y589 K593T13-D17 WeakPolarHBondContact CA-O 3.45Å; L14-D17 PolarHBondContact N-O 2.91Å; L14-D17 PolarHBondContact O-N 3.46Å; H15-D17 VanDerWaalsContact C-N 3.29Å; D17-Y589 HydrophobicContact CB-CE1 4Å; D17-Y589 WeakPolarHBondContact OD2-CE1 3.4Å; D17-Y589 PolarHBondContact OD2-OH 2.87Å; D17-K593 IonicContact OD1-NZ 3.3Å; D17-K593 PolarHBondContact OD1-NZ 3.49Å; D17-K593 IonicContact OD2-NZ 3Å; D17-K593 PolarHBondContact OD2-NZ 2.92Å
18T97.5Very high95.5Very high77 Ų7753 Ų5347%0.47230%0.301SS..EExtended strand (participates in β ladder)trans-105.4111.6178.3-62.60000109.6A11 M12 T13A11-T18 HydrophobicContact CB-CG2 4.34Å; M12-T18 CarbonylContact O-C 3.59Å; M12-T18 WeakPolarHBondContact O-CA 3.28Å; T13-T18 PolarHBondContact OG1-OG1 3.47Å
19R96.4Very high94.9Very high19 Ų1953 Ų537%0.07230%0.301CS..EExtended strand (participates in β ladder)trans-94.3135.4172.2-58.5-171.7-62.2124.18.2109.3M12 V562 T563 Y589 D599M12-R19 PolarHBondContact N-O 3.44Å; M12-R19 PolarHBondContact O-N 3.18Å; R19-V562 VanDerWaalsContact CZ-CG1 3.48Å; R19-T563 PolarHBondContact NH1-OG1 3.07Å; R19-T563 VanDerWaalsContact NH1-OG1 3.07Å; R19-T563 PolarHBondContact NH2-OG1 2.61Å; R19-Y589 WeakPolarHBondContact CD-OH 2.95Å; R19-Y589 PolarHBondContact NE-OH 3.46Å; R19-D599 WeakPolarHBondContact CD-OD1 3.27Å; R19-D599 IonicContact CZ-OD1 2.63Å; R19-D599 IonicContact NE-OD1 2.58Å; R19-D599 IonicContact NH1-OD1 3.61Å; R19-D599 PolarHBondContact NH1-OD1 3.28Å; R19-D599 IonicContact NH1-OD2 3.51Å
20I96.8Very high94.5Very high105 Ų10552.9 Ų52.954%0.53830%0.299SS..EExtended strand (participates in β ladder)trans-107.6105.3174.4-58.3175.8000108P9 H10P9-I20 HydrophobicContact CB-CG2 3.95Å; H10-I20 WeakPolarHBondContact O-CA 3.48Å
21D95.7Very high94Very high6 Ų652.5 Ų52.53%0.03230%0.295CS..EExtended strand (participates in β ladder)trans-87.3114.9171.3-175.7-1.7000109.1H10 M12 Y23 Y24 Y598H10-D21 WeakPolarHBondContact CB-O 3.3Å; H10-D21 PolarHBondContact N-O 2.93Å; H10-D21 PolarHBondContact O-N 3.48Å; M12-D21 HydrophobicContact CE-CB 3.67Å; D21-Y23 VanDerWaalsContact C-N 3.3Å; D21-Y23 PolarHBondContact OD1-N 2.79Å; D21-Y24 PolarHBondContact OD1-N 3.44Å; D21-Y24 WeakPolarHBondContact OD2-CA 3.48Å; D21-Y24 WeakPolarHBondContact OD2-CB 3.46Å; D21-Y24 PolarHBondContact OD2-N 3.3Å; D21-Y598 PolarHBondContact OD1-OH 2.72Å
22N95.8Very high93.7Very high29 Ų2952.8 Ų52.816%0.15529%0.292CS..SBendtrans-83.5-9.2179.8-67.7-75.3000113.1R7 I8R7-N22 HydrophobicContact CB-CB 4.08Å; R7-N22 HydrophobicContact CG-CB 4.3Å; R7-N22 PolarHBondContact NH2-ND2 2.94Å; R7-N22 VanDerWaalsContact NH2-ND2 3.13Å; I8-N22 PolarHBondContact N-O 3.26Å; I8-N22 CarbonylContact O-C 3.55Å
23Y95.1Very high93.6Very high22 Ų2255.1 Ų55.19%0.08630%0.303CS..SBendtrans-124.36.9-169.7-52.1-57.5000112.6A5 R7 D21 W25 L26 Y598 A627 R630A5-Y23 HydrophobicContact CB-CD1 3.93Å; A5-Y23 HydrophobicContact CB-CE1 3.89Å; R7-Y23 HydrophobicContact CG-CE1 3.8Å; D21-Y23 VanDerWaalsContact C-N 3.3Å; D21-Y23 PolarHBondContact OD1-N 2.79Å; Y23-W25 PolarHBondContact O-N 3.14Å; Y23-L26 WeakPolarHBondContact O-CB 3.25Å; Y23-L26 WeakPolarHBondContact O-CG 3.39Å; Y23-L26 PolarHBondContact O-N 3.04Å; Y23-Y598 HydrophobicContact CD2-CE2 4.18Å; Y23-Y598 VanDerWaalsContact CD2-OH 3.32Å; Y23-Y598 WeakPolarHBondContact CD2-OH 3.26Å; Y23-A627 HydrophobicContact CD2-CB 3.84Å; Y23-A627 HydrophobicContact CG-CB 4.2Å; Y23-R630 PolarHBondContact OH-O 3.04Å
24Y93.7Very high93.6Very high67 Ų6755.6 Ų55.626%0.26331%0.307SS..G310 helixtrans-50.5-33.6175.9-167.7-94.9000113.1H10 M12 D21 L26 R27 T563H10-Y24 HydrophobicContact CB-CD1 4.44Å; H10-Y24 HydrophobicContact CB-CG 4.16Å; H10-Y24 AromaticContact CD2-CD1 3.74Å; H10-Y24 AromaticContact CD2-CD2 3.84Å; H10-Y24 AromaticContact CD2-CG 3.59Å; H10-Y24 AromaticContact CG-CD1 3.81Å; H10-Y24 AromaticContact CG-CG 3.82Å; H10-Y24 AromaticContact ND1-CD1 3.97Å; H10-Y24 AromaticContact NE2-CD1 3.91Å; H10-Y24 AromaticContact NE2-CE1 3.83Å; M12-Y24 HydrophobicContact SD-CD2 4.37Å; M12-Y24 HydrophobicContact SD-CE2 4.2Å; D21-Y24 PolarHBondContact OD1-N 3.44Å; D21-Y24 WeakPolarHBondContact OD2-CA 3.48Å; D21-Y24 WeakPolarHBondContact OD2-CB 3.46Å; D21-Y24 PolarHBondContact OD2-N 3.3Å; Y24-L26 PolarHBondContact O-N 3.05Å; Y24-L26 VanDerWaalsContact O-N 3.12Å; Y24-R27 VanDerWaalsContact O-CB 3.31Å; Y24-R27 WeakPolarHBondContact O-CB 3.37Å; Y24-R27 PolarHBondContact O-N 2.9Å; Y24-T563 HydrophobicContact CD2-CG2 4.26Å; Y24-T563 HydrophobicContact CE2-CG2 4.01Å
25W94.2Very high93.5Very high43 Ų4359.9 Ų59.916%0.16333%0.326CS..G310 helixtrans-60.6-18.9178.572.9-91000114.3A5 A6 I8 Y23 R27 E35 V36A5-W25 HydrophobicContact CB-CZ2 4.38Å; A6-W25 HydrophobicContact CB-CZ2 4.11Å; A6-W25 PolarHBondContact O-NE1 3.22Å; I8-W25 HydrophobicContact CB-CG 4.4Å; I8-W25 HydrophobicContact CD1-CB 4.11Å; I8-W25 HydrophobicContact CD1-CD2 4.22Å; I8-W25 HydrophobicContact CD1-CG 3.8Å; I8-W25 HydrophobicContact CG1-CG 4.33Å; Y23-W25 PolarHBondContact O-N 3.14Å; W25-R27 PolarHBondContact O-N 2.89Å; W25-E35 HydrophobicContact CZ3-CB 3.93Å; W25-V36 HydrophobicContact CE3-CG2 4.2Å; W25-V36 HydrophobicContact CZ3-CG2 4.1Å
26L94.1Very high93.3Very high2 Ų256.4 Ų56.41%0.0131%0.311CS..G310 helixtrans-67.3-14.3174.4-67.8173.5000111.9Y23 Y24 D28 V36 Y39 V623 V626Y23-L26 WeakPolarHBondContact O-CB 3.25Å; Y23-L26 WeakPolarHBondContact O-CG 3.39Å; Y23-L26 PolarHBondContact O-N 3.04Å; Y24-L26 PolarHBondContact O-N 3.05Å; Y24-L26 VanDerWaalsContact O-N 3.12Å; L26-D28 PolarHBondContact O-N 2.75Å; L26-V36 WeakPolarHBondContact O-CG1 3.35Å; L26-Y39 HydrophobicContact CD1-CD1 4.07Å; L26-Y39 HydrophobicContact CD1-CE1 3.8Å; L26-Y39 HydrophobicContact CD2-CD1 3.48Å; L26-Y39 VanDerWaalsContact CD2-CD1 3.48Å; L26-Y39 HydrophobicContact CD2-CE1 4.08Å; L26-Y39 HydrophobicContact CD2-CG 4.34Å; L26-Y39 HydrophobicContact CG-CD1 4.47Å; L26-V623 HydrophobicContact CB-CG1 3.85Å; L26-V623 WeakPolarHBondContact O-CG1 3.34Å; L26-V623 VanDerWaalsContact O-CG2 3.23Å; L26-V623 WeakPolarHBondContact O-CG2 3.45Å; L26-V626 HydrophobicContact CD1-CB 3.96Å
27R90.8Very high93.2Very high44 Ų4455.7 Ų55.717%0.16629%0.289CS..  trans-73113.6173.8-172.3176.9164.8-171.2-7.5111.2Y24 W25 D29 D567 S569 V623Y24-R27 VanDerWaalsContact O-CB 3.31Å; Y24-R27 WeakPolarHBondContact O-CB 3.37Å; Y24-R27 PolarHBondContact O-N 2.9Å; W25-R27 PolarHBondContact O-N 2.89Å; R27-D29 IonicContact CZ-OD1 2.78Å; R27-D29 IonicContact CZ-OD2 2.83Å; R27-D29 IonicContact NE-OD1 2.69Å; R27-D29 PolarHBondContact NE-OD1 3.46Å; R27-D29 IonicContact NE-OD2 3.24Å; R27-D29 IonicContact NH2-OD1 3.93Å; R27-D29 IonicContact NH2-OD2 3.49Å; R27-D29 PolarHBondContact NH2-OD2 3.45Å; R27-D567 IonicContact CZ-OD2 3.91Å; R27-D567 IonicContact NH1-OD2 2.86Å; R27-D567 PolarHBondContact NH1-OD2 2.8Å; R27-D567 IonicContact NH2-OD2 2.68Å; R27-S569 PolarHBondContact NH2-OG 3.27Å; R27-V623 VanDerWaalsContact CA-CG1 3.41Å; R27-V623 HydrophobicContact CB-CG1 3.81Å
28D89.2Confident93.2Very high10 Ų1057.8 Ų57.85%0.05330%0.3CS..  trans-135.999.5170.8176.333000110.8L26 T30 R31 S32 Q33 V36L26-D28 PolarHBondContact O-N 2.75Å; D28-T30 PolarHBondContact O-N 3.34Å; D28-T30 VanDerWaalsContact O-N 3.14Å; D28-T30 WeakPolarHBondContact OD1-CB 3.5Å; D28-T30 PolarHBondContact OD1-N 2.89Å; D28-T30 PolarHBondContact OD1-OG1 2.74Å; D28-T30 PolarHBondContact OD2-OG1 3.02Å; D28-R31 PolarHBondContact O-N 3.2Å; D28-R31 WeakPolarHBondContact OD2-CA 3.46Å; D28-R31 PolarHBondContact OD2-N 3.37Å; D28-S32 PolarHBondContact OD2-N 3.41Å; D28-Q33 HydrophobicContact CB-CB 4.12Å; D28-Q33 HydrophobicContact CB-CG 4.11Å; D28-Q33 VanDerWaalsContact CG-CG 3.41Å; D28-Q33 VanDerWaalsContact CG-NE2 3.31Å; D28-Q33 PolarHBondContact OD1-NE2 2.61Å; D28-Q33 WeakPolarHBondContact OD2-CB 3.45Å; D28-Q33 WeakPolarHBondContact OD2-CG 3.3Å; D28-Q33 PolarHBondContact OD2-N 2.68Å; D28-V36 HydrophobicContact CB-CG2 4.18Å
29D84.1Confident93.1Very high79 Ų7954.6 Ų54.642%0.42228%0.279SS..THydrogen-bonded Turntrans-62.5-23-179.8-64.3-11.8000111.6R27 R31R27-D29 IonicContact CZ-OD1 2.78Å; R27-D29 IonicContact CZ-OD2 2.83Å; R27-D29 IonicContact NE-OD1 2.69Å; R27-D29 PolarHBondContact NE-OD1 3.46Å; R27-D29 IonicContact NE-OD2 3.24Å; R27-D29 IonicContact NH2-OD1 3.93Å; R27-D29 IonicContact NH2-OD2 3.49Å; R27-D29 PolarHBondContact NH2-OD2 3.45Å; D29-R31 PolarHBondContact O-NH1 2.99Å
30T86.8Confident92.9Very high95 Ų9555.2 Ų55.258%0.58328%0.284SS*.THydrogen-bonded Turntrans-77.4-19.5175.177.70000113.7D28 S32D28-T30 PolarHBondContact O-N 3.34Å; D28-T30 VanDerWaalsContact O-N 3.14Å; D28-T30 WeakPolarHBondContact OD1-CB 3.5Å; D28-T30 PolarHBondContact OD1-N 2.89Å; D28-T30 PolarHBondContact OD1-OG1 2.74Å; D28-T30 PolarHBondContact OD2-OG1 3.02Å; T30-S32 PolarHBondContact O-N 3.02Å; T30-S32 PolarHBondContact OG1-N 2.84Å; T30-S32 PolarHBondContact OG1-OG 3.46Å
31R85.5Confident92.9Very high66 Ų6656.3 Ų56.325%0.24929%0.287CS..SBendtrans55.131.1-176.8-60.6157.7173.279-0.7113.7D28 D29 L615D28-R31 PolarHBondContact O-N 3.2Å; D28-R31 WeakPolarHBondContact OD2-CA 3.46Å; D28-R31 PolarHBondContact OD2-N 3.37Å; D29-R31 PolarHBondContact O-NH1 2.99Å; R31-L615 HydrophobicContact CB-CD1 4.07Å; R31-L615 HydrophobicContact CB-CG 4.25Å; R31-L615 WeakPolarHBondContact CD-O 3.47Å; R31-L615 HydrophobicContact CG-CD1 4.18Å; R31-L615 HydrophobicContact CG-CG 4.47Å; R31-L615 PolarHBondContact NE-O 2.83Å
32S92.3Very high92.9Very high73 Ų7359.6 Ų59.651%0.5130%0.302SS..  trans-131.6-8.4-172.372.30000114D28 T30 P34D28-S32 PolarHBondContact OD2-N 3.41Å; T30-S32 PolarHBondContact O-N 3.02Å; T30-S32 PolarHBondContact OG1-N 2.84Å; T30-S32 PolarHBondContact OG1-OG 3.46Å; S32-P34 WeakPolarHBondContact O-CD 3.37Å
33Q94.1Very high92.9Very high85 Ų8559.3 Ų59.340%0.39730%0.299SS..  trans-63.2121179.7-78.1-175.350.600111D28 E35 V36 L37D28-Q33 HydrophobicContact CB-CB 4.12Å; D28-Q33 HydrophobicContact CB-CG 4.11Å; D28-Q33 VanDerWaalsContact CG-CG 3.41Å; D28-Q33 VanDerWaalsContact CG-NE2 3.31Å; D28-Q33 PolarHBondContact OD1-NE2 2.61Å; D28-Q33 WeakPolarHBondContact OD2-CB 3.45Å; D28-Q33 WeakPolarHBondContact OD2-CG 3.3Å; D28-Q33 PolarHBondContact OD2-N 2.68Å; Q33-E35 VanDerWaalsContact C-N 3.32Å; Q33-E35 PolarHBondContact O-N 2.89Å; Q33-V36 HydrophobicContact CB-CB 4.41Å; Q33-V36 HydrophobicContact CB-CG2 4.09Å; Q33-V36 PolarHBondContact O-N 3.09Å; Q33-L37 WeakPolarHBondContact O-CG 3.23Å; Q33-L37 PolarHBondContact O-N 3.34Å; Q33-L37 VanDerWaalsContact O-N 3.1Å
34P96.1Very high92.8Very high105 Ų10563.3 Ų63.368%0.68232%0.322SS*.Hα-helixtrans-58.6-37.9-174.6-28.535.9000114.4S32 V36 L37 D38S32-P34 WeakPolarHBondContact O-CD 3.37Å; P34-V36 PolarHBondContact O-N 3.34Å; P34-L37 PolarHBondContact O-N 2.73Å; P34-D38 VanDerWaalsContact O-CB 3.23Å; P34-D38 WeakPolarHBondContact O-CB 3.45Å; P34-D38 PolarHBondContact O-N 2.84Å
35E94.3Very high92.9Very high132 Ų13263.3 Ų63.362%0.61733%0.332SS*.Hα-helixtrans-66.1-38.1-178.6-62.4-177-178.500112.3W25 Q33 Y39W25-E35 HydrophobicContact CZ3-CB 3.93Å; Q33-E35 VanDerWaalsContact C-N 3.32Å; Q33-E35 PolarHBondContact O-N 2.89Å; E35-Y39 PolarHBondContact O-N 3.11Å
36V93.4Very high93Very high9 Ų964.6 Ų64.66%0.05534%0.338CS..Hα-helixtrans-68-49.9176179.80000109.7W25 L26 D28 Q33 P34 D38 Y39 L40W25-V36 HydrophobicContact CE3-CG2 4.2Å; W25-V36 HydrophobicContact CZ3-CG2 4.1Å; L26-V36 WeakPolarHBondContact O-CG1 3.35Å; D28-V36 HydrophobicContact CB-CG2 4.18Å; Q33-V36 HydrophobicContact CB-CB 4.41Å; Q33-V36 HydrophobicContact CB-CG2 4.09Å; Q33-V36 PolarHBondContact O-N 3.09Å; P34-V36 PolarHBondContact O-N 3.34Å; V36-D38 VanDerWaalsContact C-N 3.33Å; V36-D38 PolarHBondContact O-N 3.41Å; V36-Y39 PolarHBondContact O-N 3.07Å; V36-L40 HydrophobicContact CG1-CD1 4.21Å; V36-L40 WeakPolarHBondContact O-CG 3.42Å; V36-L40 PolarHBondContact O-N 3.18Å
37L94.6Very high93Very high62 Ų6265.9 Ų65.933%0.32535%0.352SS..Hα-helixtrans-61.7-40.5-179.7-65.6179.8000112.4Q33 P34 L40 Q41 L615Q33-L37 WeakPolarHBondContact O-CG 3.23Å; Q33-L37 PolarHBondContact O-N 3.34Å; Q33-L37 VanDerWaalsContact O-N 3.1Å; P34-L37 PolarHBondContact O-N 2.73Å; L37-L40 PolarHBondContact O-N 2.65Å; L37-Q41 WeakPolarHBondContact O-CB 3.29Å; L37-Q41 PolarHBondContact O-N 3Å; L37-L615 HydrophobicContact CD2-CD1 4.26Å; L37-L615 HydrophobicContact CD2-CD2 4.05Å
38D96Very high93.1Very high84 Ų8470.7 Ų70.745%0.44938%0.376SS..Hα-helixtrans-61.6-45.8176.4-177.664.6000111P34 V36 L40 Q41 Q42P34-D38 VanDerWaalsContact O-CB 3.23Å; P34-D38 WeakPolarHBondContact O-CB 3.45Å; P34-D38 PolarHBondContact O-N 2.84Å; V36-D38 VanDerWaalsContact C-N 3.33Å; V36-D38 PolarHBondContact O-N 3.41Å; D38-L40 PolarHBondContact O-N 3.16Å; D38-Q41 PolarHBondContact O-N 3.21Å; D38-Q42 VanDerWaalsContact O-CG 3.3Å; D38-Q42 WeakPolarHBondContact O-CG 3.32Å; D38-Q42 PolarHBondContact O-N 3.13Å; D38-Q42 PolarHBondContact OD2-NE2 2.86Å
39Y95.3Very high93.4Very high10 Ų1076.8 Ų76.84%0.03940%0.398CS..Hα-helixtrans-62.4-43.6176.7178.6-122.6000112.7P3 A5 L26 E35 V36 Q41 Q42 E43 V626P3-Y39 HydrophobicContact CB-CD2 4.48Å; P3-Y39 HydrophobicContact CB-CE2 4.13Å; A5-Y39 HydrophobicContact CB-CD2 4.41Å; A5-Y39 HydrophobicContact CB-CE1 3.89Å; A5-Y39 HydrophobicContact CB-CE2 3.83Å; L26-Y39 HydrophobicContact CD1-CD1 4.07Å; L26-Y39 HydrophobicContact CD1-CE1 3.8Å; L26-Y39 HydrophobicContact CD2-CD1 3.48Å; L26-Y39 VanDerWaalsContact CD2-CD1 3.48Å; L26-Y39 HydrophobicContact CD2-CE1 4.08Å; L26-Y39 HydrophobicContact CD2-CG 4.34Å; L26-Y39 HydrophobicContact CG-CD1 4.47Å; E35-Y39 PolarHBondContact O-N 3.11Å; V36-Y39 PolarHBondContact O-N 3.07Å; Y39-Q41 VanDerWaalsContact C-N 3.32Å; Y39-Q41 PolarHBondContact O-N 3.2Å; Y39-Q42 WeakPolarHBondContact O-CB 3.36Å; Y39-Q42 PolarHBondContact O-N 3.04Å; Y39-E43 HydrophobicContact CD2-CG 4.48Å; Y39-E43 HydrophobicContact CE2-CG 3.91Å; Y39-E43 PolarHBondContact O-N 2.95Å; Y39-E43 PolarHBondContact OH-OE1 2.94Å; Y39-V626 HydrophobicContact CD1-CG1 3.85Å; Y39-V626 HydrophobicContact CE1-CB 3.85Å; Y39-V626 HydrophobicContact CE1-CG1 3.1Å
40L93.8Very high93.8Very high32 Ų3276.5 Ų76.517%0.16840%0.399CS..Hα-helixtrans-60.1-42.3175.1-66.7177.4000111.7V36 L37 D38 Q42 E43 N44 L615 V626V36-L40 HydrophobicContact CG1-CD1 4.21Å; V36-L40 WeakPolarHBondContact O-CG 3.42Å; V36-L40 PolarHBondContact O-N 3.18Å; L37-L40 PolarHBondContact O-N 2.65Å; D38-L40 PolarHBondContact O-N 3.16Å; L40-Q42 VanDerWaalsContact C-N 3.35Å; L40-Q42 PolarHBondContact O-N 2.99Å; L40-E43 PolarHBondContact O-N 3.43Å; L40-N44 PolarHBondContact O-N 3.09Å; L40-L615 HydrophobicContact CD1-CD1 4.1Å; L40-V626 HydrophobicContact CD2-CG1 4.36Å; L40-V626 HydrophobicContact CD2-CG2 3.66Å
41Q95.3Very high94.2Very high127 Ų12775 Ų7559%0.59339%0.386SS*.Hα-helixtrans-65.8-37.5177.3-172.717213.100112.1L37 D38 Y39 S45L37-Q41 WeakPolarHBondContact O-CB 3.29Å; L37-Q41 PolarHBondContact O-N 3Å; D38-Q41 PolarHBondContact O-N 3.21Å; Y39-Q41 VanDerWaalsContact C-N 3.32Å; Y39-Q41 PolarHBondContact O-N 3.2Å; Q41-S45 WeakPolarHBondContact O-CB 3.42Å; Q41-S45 PolarHBondContact O-N 3.24Å; Q41-S45 PolarHBondContact O-OG 3.09Å
42Q96.3Very high94.6Very high75 Ų7574.6 Ų74.635%0.3540%0.397SS..Hα-helixtrans-63.1-43.9173.7-69.9178.546.100111.6P3 D38 Y39 L40 S45 Y46P3-Q42 HydrophobicContact CB-CB 3.79Å; P3-Q42 VanDerWaalsContact CG-C 3.47Å; P3-Q42 HydrophobicContact CG-CB 3.85Å; P3-Q42 VanDerWaalsContact CG-O 3.26Å; P3-Q42 WeakPolarHBondContact CG-O 3.5Å; D38-Q42 VanDerWaalsContact O-CG 3.3Å; D38-Q42 WeakPolarHBondContact O-CG 3.32Å; D38-Q42 PolarHBondContact O-N 3.13Å; D38-Q42 PolarHBondContact OD2-NE2 2.86Å; Y39-Q42 WeakPolarHBondContact O-CB 3.36Å; Y39-Q42 PolarHBondContact O-N 3.04Å; L40-Q42 VanDerWaalsContact C-N 3.35Å; L40-Q42 PolarHBondContact O-N 2.99Å; Q42-S45 PolarHBondContact O-N 2.97Å; Q42-Y46 PolarHBondContact O-N 3.34Å
43E95.2Very high94.8Very high23 Ų2376.3 Ų76.311%0.10741%0.409CS..Hα-helixtrans-65.7-42.6176.5-75.6-73.7-147.500112.2P3 Y39 L40 S45 Y46 G47 V626 N629P3-E43 HydrophobicContact CB-CG 4.22Å; P3-E43 HydrophobicContact CG-CG 4.35Å; Y39-E43 HydrophobicContact CD2-CG 4.48Å; Y39-E43 HydrophobicContact CE2-CG 3.91Å; Y39-E43 PolarHBondContact O-N 2.95Å; Y39-E43 PolarHBondContact OH-OE1 2.94Å; L40-E43 PolarHBondContact O-N 3.43Å; E43-S45 VanDerWaalsContact C-N 3.34Å; E43-S45 PolarHBondContact O-N 3.45Å; E43-Y46 WeakPolarHBondContact O-CB 3.23Å; E43-Y46 PolarHBondContact O-N 2.88Å; E43-Y46 VanDerWaalsContact O-N 3.16Å; E43-G47 PolarHBondContact O-N 2.71Å; E43-V626 HydrophobicContact CG-CG1 4.38Å; E43-N629 PolarHBondContact OE1-ND2 3.1Å
44N94.4Very high94.8Very high106 Ų10676.4 Ų76.457%0.56741%0.409SS*.Hα-helixtrans-59.3-45.3173.2-75.9-16.4000111.7L40 Y46 G47 H48L40-N44 PolarHBondContact O-N 3.09Å; N44-Y46 VanDerWaalsContact C-N 3.28Å; N44-Y46 PolarHBondContact O-N 2.77Å; N44-G47 PolarHBondContact O-N 2.59Å; N44-H48 PolarHBondContact O-CD2 2.86Å; N44-H48 PolarHBondContact O-N 3.31Å
45S96.3Very high94.8Very high68 Ų6875.6 Ų75.648%0.47640%0.397SS..Hα-helixtrans-62.1-37176.9-60.20000112Q41 Q42 E43 R49Q41-S45 WeakPolarHBondContact O-CB 3.42Å; Q41-S45 PolarHBondContact O-N 3.24Å; Q41-S45 PolarHBondContact O-OG 3.09Å; Q42-S45 PolarHBondContact O-N 2.97Å; E43-S45 VanDerWaalsContact C-N 3.34Å; E43-S45 PolarHBondContact O-N 3.45Å; S45-R49 WeakPolarHBondContact O-CB 3.32Å; S45-R49 PolarHBondContact O-N 3.18Å; S45-R49 VanDerWaalsContact O-N 3.15Å
46Y95.6Very high94.9Very high69 Ų6972.7 Ų72.727%0.27140%0.395SS..Hα-helixtrans-64.1-49.7173.5177.1-97.8000111.5L2 P3 Q42 E43 N44 H48 R49 V50L2-Y46 HydrophobicContact CB-CE2 4.4Å; L2-Y46 HydrophobicContact CD2-CD1 4Å; L2-Y46 HydrophobicContact CD2-CD2 3.94Å; L2-Y46 HydrophobicContact CD2-CE1 3.41Å; L2-Y46 VanDerWaalsContact CD2-CE1 3.41Å; L2-Y46 HydrophobicContact CD2-CE2 3.39Å; L2-Y46 HydrophobicContact CD2-CG 4.26Å; L2-Y46 WeakPolarHBondContact CD2-OH 3.42Å; L2-Y46 HydrophobicContact CG-CD2 4.2Å; L2-Y46 HydrophobicContact CG-CE1 4.43Å; L2-Y46 HydrophobicContact CG-CE2 3.52Å; P3-Y46 HydrophobicContact CG-CG 4.45Å; Q42-Y46 PolarHBondContact O-N 3.34Å; E43-Y46 WeakPolarHBondContact O-CB 3.23Å; E43-Y46 PolarHBondContact O-N 2.88Å; E43-Y46 VanDerWaalsContact O-N 3.16Å; N44-Y46 VanDerWaalsContact C-N 3.28Å; N44-Y46 PolarHBondContact O-N 2.77Å; Y46-H48 PolarHBondContact O-N 3.32Å; Y46-R49 PolarHBondContact O-N 2.92Å; Y46-V50 HydrophobicContact CD1-CG2 4.25Å; Y46-V50 HydrophobicContact CE1-CG2 3.64Å; Y46-V50 HydrophobicContact CE2-CG2 3.9Å; Y46-V50 VanDerWaalsContact CZ-CG2 3.4Å; Y46-V50 WeakPolarHBondContact O-CG2 3.46Å; Y46-V50 PolarHBondContact O-N 3.31Å
47G93.6Very high95.1Very high30 Ų3075.7 Ų75.731%0.30941%0.41SS..Hα-helixtrans-55.9-50.7177.200000112.3E43 N44 R49 V50 M51E43-G47 PolarHBondContact O-N 2.71Å; N44-G47 PolarHBondContact O-N 2.59Å; G47-R49 VanDerWaalsContact C-N 3.3Å; G47-R49 PolarHBondContact O-N 3.25Å; G47-V50 PolarHBondContact O-N 2.97Å; G47-M51 WeakPolarHBondContact O-CB 3.35Å; G47-M51 VanDerWaalsContact O-CG 3.31Å; G47-M51 WeakPolarHBondContact O-CG 3.39Å; G47-M51 PolarHBondContact O-N 3.16Å
48H93.8Very high95.2Very high144 Ų14476.2 Ų76.267%0.66741%0.411SS*.Hα-helixtrans-56.6-42.6176-73.8-55.5000112.5N44 Y46 M51 A52N44-H48 PolarHBondContact O-CD2 2.86Å; N44-H48 PolarHBondContact O-N 3.31Å; Y46-H48 PolarHBondContact O-N 3.32Å; H48-M51 PolarHBondContact O-N 2.93Å; H48-A52 WeakPolarHBondContact O-CB 3.32Å; H48-A52 PolarHBondContact O-N 3.14Å
49R95.3Very high95.3Very high139 Ų13976.3 Ų76.353%0.52541%0.411SS..Hα-helixtrans-65.2-40.9178.6-175.417762.5-152.6-10.5112.5M1 S45 Y46 G47M1-R49 PolarHBondContact O-NH2 3.06Å; S45-R49 WeakPolarHBondContact O-CB 3.32Å; S45-R49 PolarHBondContact O-N 3.18Å; S45-R49 VanDerWaalsContact O-N 3.15Å; Y46-R49 PolarHBondContact O-N 2.92Å; G47-R49 VanDerWaalsContact C-N 3.3Å; G47-R49 PolarHBondContact O-N 3.25Å
50V92.9Very high95.4Very high72 Ų7282.6 Ų82.644%0.43644%0.435SS..Hα-helixtrans-65-43.1177.1172.90000110.6Y46 G47 A52Y46-V50 HydrophobicContact CD1-CG2 4.25Å; Y46-V50 HydrophobicContact CE1-CG2 3.64Å; Y46-V50 HydrophobicContact CE2-CG2 3.9Å; Y46-V50 VanDerWaalsContact CZ-CG2 3.4Å; Y46-V50 WeakPolarHBondContact O-CG2 3.46Å; Y46-V50 PolarHBondContact O-N 3.31Å; G47-V50 PolarHBondContact O-N 2.97Å; V50-A52 PolarHBondContact O-N 3.15Å
51M93.5Very high95.5Very high64 Ų6483.5 Ų83.532%0.31544%0.44SS..Hα-helixtrans-78.8-14.6-176.8-64.3-61.7-7400114G47 H48 S53 Q54 Q58G47-M51 WeakPolarHBondContact O-CB 3.35Å; G47-M51 VanDerWaalsContact O-CG 3.31Å; G47-M51 WeakPolarHBondContact O-CG 3.39Å; G47-M51 PolarHBondContact O-N 3.16Å; H48-M51 PolarHBondContact O-N 2.93Å; M51-S53 PolarHBondContact O-N 3.22Å; M51-S53 VanDerWaalsContact O-N 3.14Å; M51-Q54 WeakPolarHBondContact O-CA 3.46Å; M51-Q54 WeakPolarHBondContact O-CB 3.33Å; M51-Q54 PolarHBondContact O-N 2.82Å; M51-Q58 PolarHBondContact O-NE2 2.86Å
52A95.7Very high95.6Very high58 Ų5882.1 Ų82.148%0.47944%0.436SS..G310 helixtrans-55.5-34.7-176.300000113.6H48 V50 Q54 Q55H48-A52 WeakPolarHBondContact O-CB 3.32Å; H48-A52 PolarHBondContact O-N 3.14Å; V50-A52 PolarHBondContact O-N 3.15Å; A52-Q54 PolarHBondContact O-N 3.28Å; A52-Q54 VanDerWaalsContact O-N 3.16Å; A52-Q55 PolarHBondContact O-N 2.93Å
53S94.6Very high95.5Very high109 Ų10984.1 Ų84.176%0.76244%0.443SS*.G310 helixtrans-65.8-14.3176.764.20000113.9M51M51-S53 PolarHBondContact O-N 3.22Å; M51-S53 VanDerWaalsContact O-N 3.14Å
54Q94.9Very high95.6Very high86 Ų8685.1 Ų85.140%0.40245%0.448SS..G310 helixtrans-106.75.4-177.1-57.5176.8-5.100112.9M51 A52 A56 L57 Q58M51-Q54 WeakPolarHBondContact O-CA 3.46Å; M51-Q54 WeakPolarHBondContact O-CB 3.33Å; M51-Q54 PolarHBondContact O-N 2.82Å; A52-Q54 PolarHBondContact O-N 3.28Å; A52-Q54 VanDerWaalsContact O-N 3.16Å; Q54-A56 VanDerWaalsContact C-N 3.32Å; Q54-A56 PolarHBondContact O-N 3.25Å; Q54-L57 WeakPolarHBondContact O-CA 3.4Å; Q54-L57 WeakPolarHBondContact O-CB 3.28Å; Q54-L57 PolarHBondContact O-N 2.89Å; Q54-Q58 PolarHBondContact O-N 3.36Å
55Q95.9Very high95.6Very high89 Ų8982 Ų8242%0.41643%0.431SS..Hα-helixtrans-53.6-46.4-175.1-169.563.552.400112.5A52 L57 Q58 D59A52-Q55 PolarHBondContact O-N 2.93Å; Q55-L57 PolarHBondContact O-N 3.47Å; Q55-Q58 WeakPolarHBondContact O-CB 3.44Å; Q55-Q58 PolarHBondContact O-N 3.19Å; Q55-D59 PolarHBondContact NE2-OD1 2.93Å; Q55-D59 VanDerWaalsContact O-CG 3.22Å; Q55-D59 PolarHBondContact O-N 3.35Å
56A97.4Very high95.5Very high70 Ų7082.5 Ų82.558%0.57943%0.427SS*.Hα-helixtrans-63.9-23.9178.700000114Q54 R60Q54-A56 VanDerWaalsContact C-N 3.32Å; Q54-A56 PolarHBondContact O-N 3.25Å; A56-R60 WeakPolarHBondContact O-CB 3.34Å
57L97.3Very high95.4Very high73 Ų7383 Ų8338%0.38244%0.435SS..Hα-helixtrans-79.7-42.6172.1178.361.9000110.6Q54 Q55 R60 I61Q54-L57 WeakPolarHBondContact O-CA 3.4Å; Q54-L57 WeakPolarHBondContact O-CB 3.28Å; Q54-L57 PolarHBondContact O-N 2.89Å; Q55-L57 PolarHBondContact O-N 3.47Å; L57-R60 PolarHBondContact O-N 2.82Å; L57-I61 HydrophobicContact CD1-CD1 3.81Å; L57-I61 HydrophobicContact CD1-CG1 4.13Å; L57-I61 HydrophobicContact CD2-CD1 4.47Å; L57-I61 HydrophobicContact CG-CD1 3.82Å; L57-I61 HydrophobicContact CG-CG1 4.47Å; L57-I61 WeakPolarHBondContact O-CG1 3.38Å; L57-I61 PolarHBondContact O-N 3.13Å
58Q96.1Very high95.4Very high72 Ų7282.8 Ų82.834%0.33643%0.425SS..Hα-helixtrans-59.5-49176.4-66.5175.145.300111.2M51 Q54 Q55 R60 I61 L62M51-Q58 PolarHBondContact O-NE2 2.86Å; Q54-Q58 PolarHBondContact O-N 3.36Å; Q55-Q58 WeakPolarHBondContact O-CB 3.44Å; Q55-Q58 PolarHBondContact O-N 3.19Å; Q58-R60 VanDerWaalsContact C-N 3.27Å; Q58-R60 PolarHBondContact O-N 3.31Å; Q58-I61 PolarHBondContact O-N 3.15Å; Q58-L62 VanDerWaalsContact O-CB 3.29Å; Q58-L62 WeakPolarHBondContact O-CB 3.16Å; Q58-L62 PolarHBondContact O-N 3.48Å
59D97.4Very high95.3Very high86 Ų8679.2 Ų79.246%0.4641%0.41SS..Hα-helixtrans-59.6-39.4179-61.4-18.1000111.6Q55 K63Q55-D59 PolarHBondContact NE2-OD1 2.93Å; Q55-D59 VanDerWaalsContact O-CG 3.22Å; Q55-D59 PolarHBondContact O-N 3.35Å; D59-K63 VanDerWaalsContact O-CB 3.31Å; D59-K63 WeakPolarHBondContact O-CB 3.42Å; D59-K63 PolarHBondContact O-N 3.25Å
60R97.7Very high95Very high142 Ų14273.8 Ų73.854%0.53639%0.393SS..Hα-helixtrans-68.5-46.5178.2-166.2-167.9-44.1178.66.2111.9A56 L57 Q58 L62 K63 E64A56-R60 WeakPolarHBondContact O-CB 3.34Å; L57-R60 PolarHBondContact O-N 2.82Å; Q58-R60 VanDerWaalsContact C-N 3.27Å; Q58-R60 PolarHBondContact O-N 3.31Å; R60-L62 VanDerWaalsContact C-N 3.35Å; R60-K63 PolarHBondContact O-N 2.81Å; R60-E64 WeakPolarHBondContact CG-OE1 3.39Å; R60-E64 VanDerWaalsContact O-CG 3.26Å; R60-E64 WeakPolarHBondContact O-CG 3.33Å; R60-E64 PolarHBondContact O-N 2.99Å
61I97.2Very high94.7Very high51 Ų5176.2 Ų76.226%0.26240%0.399SS..Hα-helixtrans-64.5-42.8178-69.5170.8000110L57 Q58 K63 E64 I65L57-I61 HydrophobicContact CD1-CD1 3.81Å; L57-I61 HydrophobicContact CD1-CG1 4.13Å; L57-I61 HydrophobicContact CD2-CD1 4.47Å; L57-I61 HydrophobicContact CG-CD1 3.82Å; L57-I61 HydrophobicContact CG-CG1 4.47Å; L57-I61 WeakPolarHBondContact O-CG1 3.38Å; L57-I61 PolarHBondContact O-N 3.13Å; Q58-I61 PolarHBondContact O-N 3.15Å; I61-K63 VanDerWaalsContact C-N 3.34Å; I61-K63 PolarHBondContact O-N 2.98Å; I61-E64 PolarHBondContact O-N 3.5Å; I61-I65 HydrophobicContact CG2-CD1 3.83Å; I61-I65 HydrophobicContact CG2-CG1 4.41Å; I61-I65 VanDerWaalsContact O-CG1 3.26Å; I61-I65 WeakPolarHBondContact O-CG1 3.18Å; I61-I65 PolarHBondContact O-N 2.93Å
62L95.8Very high94.7Very high98 Ų9879 Ų7951%0.51341%0.406SS..Hα-helixtrans-58.3-48.2175.3177.560.6000110.7Q58 R60 E64 I65 I66Q58-L62 VanDerWaalsContact O-CB 3.29Å; Q58-L62 WeakPolarHBondContact O-CB 3.16Å; Q58-L62 PolarHBondContact O-N 3.48Å; R60-L62 VanDerWaalsContact C-N 3.35Å; L62-E64 PolarHBondContact O-N 3.25Å; L62-I65 PolarHBondContact O-N 2.72Å; L62-I66 HydrophobicContact CD1-CD1 3.84Å; L62-I66 HydrophobicContact CD1-CG1 4.21Å; L62-I66 HydrophobicContact CG-CD1 3.81Å; L62-I66 WeakPolarHBondContact O-CG1 3.39Å; L62-I66 PolarHBondContact O-N 2.88Å
63K96Very high94.5Very high118 Ų11878.7 Ų78.751%0.51340%0.395SS..Hα-helixtrans-59.3-45.5175.4177.1163.5174.444.10112.3D59 R60 I61 I65 I66 D67D59-K63 VanDerWaalsContact O-CB 3.31Å; D59-K63 WeakPolarHBondContact O-CB 3.42Å; D59-K63 PolarHBondContact O-N 3.25Å; R60-K63 PolarHBondContact O-N 2.81Å; I61-K63 VanDerWaalsContact C-N 3.34Å; I61-K63 PolarHBondContact O-N 2.98Å; K63-I65 VanDerWaalsContact C-N 3.27Å; K63-I65 PolarHBondContact O-N 3.21Å; K63-I66 PolarHBondContact O-N 3.42Å; K63-D67 WeakPolarHBondContact CE-OD2 3.4Å; K63-D67 WeakPolarHBondContact CG-OD2 3.26Å; K63-D67 IonicContact NZ-OD1 3.12Å; K63-D67 PolarHBondContact NZ-OD1 3.44Å; K63-D67 IonicContact NZ-OD2 3.5Å; K63-D67 PolarHBondContact NZ-OD2 3.33Å; K63-D67 VanDerWaalsContact O-CB 3.3Å; K63-D67 WeakPolarHBondContact O-CB 3.31Å; K63-D67 PolarHBondContact O-N 3.31Å
64E96.7Very high94.5Very high43 Ų4375.7 Ų75.720%0.20137%0.372CS..Hα-helixtrans-61-34.5176.8-73165.1-159.400112.7R60 I61 L62 R68 S469 R473R60-E64 WeakPolarHBondContact CG-OE1 3.39Å; R60-E64 VanDerWaalsContact O-CG 3.26Å; R60-E64 WeakPolarHBondContact O-CG 3.33Å; R60-E64 PolarHBondContact O-N 2.99Å; I61-E64 PolarHBondContact O-N 3.5Å; L62-E64 PolarHBondContact O-N 3.25Å; E64-R68 WeakPolarHBondContact O-CD 3.46Å; E64-R68 VanDerWaalsContact O-CG 3.24Å; E64-R68 WeakPolarHBondContact O-CG 3.45Å; E64-R68 PolarHBondContact O-NH1 3.15Å; E64-R68 VanDerWaalsContact O-NH1 3.15Å; E64-S469 PolarHBondContact OE2-OG 3.01Å; E64-R473 VanDerWaalsContact CD-NH2 3.3Å; E64-R473 IonicContact OE1-CZ 3.23Å; E64-R473 IonicContact OE1-NH1 3.61Å; E64-R473 IonicContact OE1-NH2 3.64Å; E64-R473 PolarHBondContact OE1-NH2 2.96Å; E64-R473 IonicContact OE2-CZ 3.82Å; E64-R473 IonicContact OE2-NH1 3.59Å; E64-R473 PolarHBondContact OE2-NH1 2.88Å; E64-R473 IonicContact OE2-NH2 3.22Å; E64-R473 PolarHBondContact OE2-NH2 3.09Å; E64-R473 VanDerWaalsContact OE2-NH2 3.09Å
65I94.8Very high94.5Very high42 Ų4272.2 Ų72.222%0.21536%0.357CS..Hα-helixtrans-71.2-47.5176-68.3170.4000110I61 L62 K63 R68 F465I61-I65 HydrophobicContact CG2-CD1 3.83Å; I61-I65 HydrophobicContact CG2-CG1 4.41Å; I61-I65 VanDerWaalsContact O-CG1 3.26Å; I61-I65 WeakPolarHBondContact O-CG1 3.18Å; I61-I65 PolarHBondContact O-N 2.93Å; L62-I65 PolarHBondContact O-N 2.72Å; K63-I65 VanDerWaalsContact C-N 3.27Å; K63-I65 PolarHBondContact O-N 3.21Å; I65-R68 PolarHBondContact O-N 3.31Å; I65-F465 HydrophobicContact CG2-CD2 4.11Å; I65-F465 HydrophobicContact CG2-CE2 3.72Å
66I92.9Very high94.4Very high77 Ų7768.9 Ų68.940%0.39534%0.344SS..Hα-helixtrans-62.5-43.1178.6-67.7168.8000111.3L62 K63 R68 I69L62-I66 HydrophobicContact CD1-CD1 3.84Å; L62-I66 HydrophobicContact CD1-CG1 4.21Å; L62-I66 HydrophobicContact CG-CD1 3.81Å; L62-I66 WeakPolarHBondContact O-CG1 3.39Å; L62-I66 PolarHBondContact O-N 2.88Å; K63-I66 PolarHBondContact O-N 3.42Å; I66-R68 PolarHBondContact O-N 3.27Å; I66-R68 VanDerWaalsContact O-N 3.15Å; I66-I69 PolarHBondContact O-N 2.75Å
67D93.9Very high94.3Very high81 Ų8167.6 Ų67.643%0.43333%0.331SS..THydrogen-bonded Turntrans-64.3-18.6-179.8-71.6-12.7000112.6K63K63-D67 WeakPolarHBondContact CE-OD2 3.4Å; K63-D67 WeakPolarHBondContact CG-OD2 3.26Å; K63-D67 IonicContact NZ-OD1 3.12Å; K63-D67 PolarHBondContact NZ-OD1 3.44Å; K63-D67 IonicContact NZ-OD2 3.5Å; K63-D67 PolarHBondContact NZ-OD2 3.33Å; K63-D67 VanDerWaalsContact O-CB 3.3Å; K63-D67 WeakPolarHBondContact O-CB 3.31Å; K63-D67 PolarHBondContact O-N 3.31Å
68R94.4Very high94.2Very high24 Ų2467 Ų679%0.09132%0.324CS..THydrogen-bonded Turntrans-89.2-5.5174.9-71.4171.1-175.4125.9-8.2113.5E64 I65 I66 V406 P407 F465 S469 D472E64-R68 WeakPolarHBondContact O-CD 3.46Å; E64-R68 VanDerWaalsContact O-CG 3.24Å; E64-R68 WeakPolarHBondContact O-CG 3.45Å; E64-R68 PolarHBondContact O-NH1 3.15Å; E64-R68 VanDerWaalsContact O-NH1 3.15Å; I65-R68 PolarHBondContact O-N 3.31Å; I66-R68 PolarHBondContact O-N 3.27Å; I66-R68 VanDerWaalsContact O-N 3.15Å; R68-V406 HydrophobicContact CB-CG1 4.12Å; R68-V406 HydrophobicContact CG-CG1 4.28Å; R68-P407 WeakPolarHBondContact O-CD 3.33Å; R68-F465 HydrophobicContact CB-CB 4.38Å; R68-S469 PolarHBondContact NH1-OG 2.77Å; R68-D472 IonicContact NH2-OD2 3.46Å; R68-D472 PolarHBondContact NH2-OD2 3.11Å
69I90.3Very high94.2Very high70 Ų7067.6 Ų67.636%0.35933%0.328SS..SBendtrans-94.9123.1174-59.9170.6000107.6I66 Q71 F465I66-I69 PolarHBondContact O-N 2.75Å; I69-Q71 PolarHBondContact O-N 3.04Å; I69-F465 HydrophobicContact CD1-CE2 3.9Å; I69-F465 HydrophobicContact CD1-CZ 4Å; I69-F465 HydrophobicContact CG1-CD2 4.4Å; I69-F465 HydrophobicContact CG1-CE2 3.79Å; I69-F465 HydrophobicContact CG1-CZ 3.94Å
70P88.8Confident94.1Very high25 Ų2566.9 Ų66.916%0.16232%0.321CS..  trans-56128.8173.2-24.834.7000110.6R72 E405P70-R72 PolarHBondContact O-N 3.33Å; P70-R72 VanDerWaalsContact O-N 3.15Å; P70-E405 WeakPolarHBondContact CD-O 3.42Å; P70-E405 HydrophobicContact CG-CB 3.99Å; P70-E405 VanDerWaalsContact CG-O 3.25Å; P70-E405 WeakPolarHBondContact CG-O 3.4Å
71Q86.7Confident94Very high122 Ų12262.6 Ų62.657%0.5731%0.308SS*.SBendtrans-60.8-26.1178.9-68.9-64.8-65.600112.8I69 E90 P91I69-Q71 PolarHBondContact O-N 3.04Å; Q71-E90 CarbonylContact O-C 3.58Å; Q71-P91 HydrophobicContact CB-CB 4.43Å; Q71-P91 HydrophobicContact CB-CG 4.29Å; Q71-P91 VanDerWaalsContact O-CA 3.31Å; Q71-P91 WeakPolarHBondContact O-CA 3.29Å
72R93.8Very high94Very high122 Ų12261.9 Ų61.946%0.4631%0.314SS..SBendtrans-129.2124.9173.7-173.2175.7-173.7-86.6-7109.1P70 Y89 E90 P91P70-R72 PolarHBondContact O-N 3.33Å; P70-R72 VanDerWaalsContact O-N 3.15Å; R72-Y89 VanDerWaalsContact CA-O 3.29Å; R72-Y89 WeakPolarHBondContact CA-O 3.36Å; R72-E90 VanDerWaalsContact CD-OE2 3.27Å; R72-E90 WeakPolarHBondContact CD-OE2 3.12Å; R72-E90 IonicContact CZ-OE1 3.69Å; R72-E90 VanDerWaalsContact NE-CD 3.33Å; R72-E90 IonicContact NE-OE1 2.68Å; R72-E90 PolarHBondContact NE-OE1 3.27Å; R72-E90 IonicContact NE-OE2 2.66Å; R72-E90 PolarHBondContact NE-OE2 3.4Å; R72-E90 IonicContact NH2-OE1 3.91Å; R72-E90 PolarHBondContact NH2-OE1 3Å; R72-P91 HydrophobicContact CB-CG 4.29Å
73E92Very high94Very high53 Ų5360.4 Ų60.425%0.24830%0.302CS..EExtended strand (participates in β ladder)trans-126.5129.4177.9-173.1171.9-175.900110.7I88 Y89 K402E73-I88 CarbonylContact O-C 3.57Å; E73-I88 VanDerWaalsContact O-CA 3.26Å; E73-I88 WeakPolarHBondContact O-CA 3.24Å; E73-Y89 PolarHBondContact N-O 2.95Å; E73-Y89 PolarHBondContact O-N 3.5Å; E73-K402 VanDerWaalsContact CG-NZ 3.32Å; E73-K402 WeakPolarHBondContact OE1-CE 3.47Å; E73-K402 IonicContact OE1-NZ 3.09Å; E73-K402 PolarHBondContact OE1-NZ 2.89Å
74V94.2Very high94.1Very high46 Ų4656.3 Ų56.328%0.27928%0.284SS..EExtended strand (participates in β ladder)trans-113.7130.9173.3-175.60000108.8I88 K402V74-I88 HydrophobicContact CG1-CG1 4.28Å; V74-I88 HydrophobicContact CG2-CG1 4.23Å; V74-I88 HydrophobicContact CG2-CG2 4.14Å; V74-K402 WeakPolarHBondContact O-CE 3.38Å; V74-K402 PolarHBondContact O-NZ 3.18Å
75S95.1Very high94.1Very high13 Ų1354.8 Ų54.89%0.09128%0.276CS..PPolyproline II helixtrans-71.3151.9174.475.20000111.6R86 H87S75-R86 WeakPolarHBondContact OG-CA 3.3Å; S75-H87 WeakPolarHBondContact CB-CE1 3.47Å; S75-H87 WeakPolarHBondContact CB-ND1 3.45Å; S75-H87 PolarHBondContact N-O 3.17Å; S75-H87 PolarHBondContact OG-N 2.69Å; S75-H87 PolarHBondContact OG-O 3.23Å
76A95.1Very high94.2Very high18 Ų1855.4 Ų55.415%0.14928%0.276CS..PPolyproline II helixtrans-6112616800000110L388 L401 K402A76-L388 HydrophobicContact CB-CD2 3.55Å; A76-L401 HydrophobicContact CB-CB 4.21Å; A76-K402 HydrophobicContact CB-CB 4.05Å; A76-K402 HydrophobicContact CB-CD 4.5Å
77P95.2Very high94.3Very high44 Ų4454.6 Ų54.629%0.28627%0.27SS..PPolyproline II helixtrans-69.2144.8-176.927.7-34.2000111.2Y85 W111 R376P77-Y85 CarbonylContact C-O 3.58Å; P77-Y85 WeakPolarHBondContact CA-O 3.26Å; P77-W111 HydrophobicContact CB-CH2 4.02Å; P77-R376 VanDerWaalsContact O-CZ 3.26Å; P77-R376 PolarHBondContact O-NH1 2.94Å; P77-R376 PolarHBondContact O-NH2 2.9Å
78Y95.2Very high94.5Very high60 Ų6050.9 Ų50.924%0.23525%0.25CS..EExtended strand (participates in β ladder)trans-122.7150.8172.664.1-95.1000110.9K80 R84 Y85 Y366 P368Y78-K80 HydrophobicContact CD2-CB 4.23Å; Y78-K80 HydrophobicContact CE2-CB 4.17Å; Y78-R84 CarbonylContact O-C 3.54Å; Y78-R84 VanDerWaalsContact O-CA 3.29Å; Y78-R84 WeakPolarHBondContact O-CA 3.29Å; Y78-Y85 HydrophobicContact CD2-CD2 4.19Å; Y78-Y85 AromaticContact CE2-CD2 3.68Å; Y78-Y85 HydrophobicContact CE2-CD2 3.68Å; Y78-Y85 AromaticContact CE2-CG 3.81Å; Y78-Y85 HydrophobicContact CE2-CG 3.81Å; Y78-Y85 AromaticContact CZ-CG 3.96Å; Y78-Y85 PolarHBondContact N-O 3.05Å; Y78-Y85 PolarHBondContact O-N 3.16Å; Y78-Y366 HydrophobicContact CD1-CD1 4.23Å; Y78-Y366 HydrophobicContact CD1-CE1 4.5Å; Y78-Y366 HydrophobicContact CD2-CD1 4.12Å; Y78-Y366 AromaticContact CD2-CE1 3.77Å; Y78-Y366 HydrophobicContact CD2-CE1 3.77Å; Y78-Y366 HydrophobicContact CE1-CD1 4.36Å; Y78-Y366 HydrophobicContact CE1-CE1 4.36Å; Y78-Y366 HydrophobicContact CE2-CD1 4.28Å; Y78-Y366 AromaticContact CE2-CE1 3.61Å; Y78-Y366 HydrophobicContact CE2-CE1 3.61Å; Y78-Y366 HydrophobicContact CG-CD1 4.09Å; Y78-Y366 HydrophobicContact CG-CE1 4.21Å; Y78-Y366 AromaticContact CZ-CE1 3.91Å; Y78-P368 HydrophobicContact CD2-CG 4.09Å
79I95.7Very high94.5Very high84 Ų8453.8 Ų53.843%0.43126%0.262SS..EExtended strand (participates in β ladder)trans-97133.8175.4-65.2167.7000108.4Y83 R84 A103 P368I79-Y83 CarbonylContact C-O 3.43Å; I79-Y83 VanDerWaalsContact CA-O 3.29Å; I79-Y83 WeakPolarHBondContact CA-O 3.35Å; I79-R84 HydrophobicContact CD1-CG 4.28Å; I79-R84 HydrophobicContact CG1-CG 3.51Å; I79-A103 HydrophobicContact CG2-CB 4.27Å; I79-P368 WeakPolarHBondContact O-CG 3.26Å
80K95.8Very high94.8Very high72 Ų7253.2 Ų53.231%0.31326%0.258SS..EExtended strand (participates in β ladder)trans-147.3130.1170.8-177.8179.2-179.8-179.70108.9Y78 G82 Y83 Y85 Y366 P368 E369Y78-K80 HydrophobicContact CD2-CB 4.23Å; Y78-K80 HydrophobicContact CE2-CB 4.17Å; K80-G82 VanDerWaalsContact C-N 3.28Å; K80-G82 PolarHBondContact O-N 2.88Å; K80-G82 VanDerWaalsContact O-N 3.16Å; K80-Y83 PolarHBondContact N-O 3.17Å; K80-Y83 PolarHBondContact O-N 2.88Å; K80-Y85 HydrophobicContact CB-CD2 4.16Å; K80-Y85 HydrophobicContact CB-CE2 3.96Å; K80-Y85 WeakPolarHBondContact O-CE2 3.36Å; K80-Y366 PolarHBondContact NZ-OH 2.61Å; K80-P368 HydrophobicContact CB-CB 4.15Å; K80-P368 HydrophobicContact CB-CG 4.33Å; K80-P368 HydrophobicContact CD-CB 4.17Å; K80-P368 HydrophobicContact CG-CB 4.11Å; K80-E369 WeakPolarHBondContact CA-OE1 3.36Å
81N95.6Very high95Very high51 Ų5155.7 Ų55.727%0.27327%0.273SS..THydrogen-bonded Turntrans50.343.7171.8-161.344.6000114.4Y83 P136 N138 E369N81-Y83 PolarHBondContact O-N 2.95Å; N81-P136 PolarHBondContact ND2-O 2.61Å; N81-N138 PolarHBondContact ND2-ND2 3.08Å; N81-N138 VanDerWaalsContact ND2-ND2 3.1Å; N81-N138 PolarHBondContact ND2-OD1 3.26Å; N81-N138 PolarHBondContact O-ND2 3.07Å; N81-E369 PolarHBondContact N-OE1 3.06Å
82G95.4Very high95.2Very high37 Ų3753.5 Ų53.538%0.38128%0.284SS..THydrogen-bonded Turntrans82.61.8178.200000116K80 A103K80-G82 VanDerWaalsContact C-N 3.28Å; K80-G82 PolarHBondContact O-N 2.88Å; K80-G82 VanDerWaalsContact O-N 3.16Å; G82-A103 WeakPolarHBondContact O-CB 3.29Å; G82-A103 PolarHBondContact O-N 3.34Å
83Y97.1Very high95.1Very high67 Ų6749.9 Ų49.926%0.26328%0.277SS..EExtended strand (participates in β ladder)trans-121.7146.3177.8-75.5-97.1000111.7I79 K80 N81 Y85 R100 Q101 N138I79-Y83 CarbonylContact C-O 3.43Å; I79-Y83 VanDerWaalsContact CA-O 3.29Å; I79-Y83 WeakPolarHBondContact CA-O 3.35Å; K80-Y83 PolarHBondContact N-O 3.17Å; K80-Y83 PolarHBondContact O-N 2.88Å; N81-Y83 PolarHBondContact O-N 2.95Å; Y83-Y85 VanDerWaalsContact CB-CE2 3.48Å; Y83-R100 HydrophobicContact CD1-CB 4.42Å; Y83-R100 HydrophobicContact CD1-CG 4.09Å; Y83-Q101 CarbonylContact C-O 3.53Å; Y83-Q101 WeakPolarHBondContact CA-O 3.5Å; Y83-Q101 WeakPolarHBondContact CD1-O 3.44Å; Y83-N138 HydrophobicContact CD2-CB 4.26Å; Y83-N138 HydrophobicContact CE2-CB 3.71Å; Y83-N138 VanDerWaalsContact CE2-CG 3.47Å; Y83-N138 WeakPolarHBondContact CE2-ND2 3.48Å
84R96.7Very high95.1Very high32 Ų3255 Ų5512%0.12130%0.3CS..EExtended strand (participates in β ladder)trans-89.1134.8164.1-78.5-174.8-68.4166.9-1.3109.4Y78 I79 R100 Q101 S105 E106 W111Y78-R84 CarbonylContact O-C 3.54Å; Y78-R84 VanDerWaalsContact O-CA 3.29Å; Y78-R84 WeakPolarHBondContact O-CA 3.29Å; I79-R84 HydrophobicContact CD1-CG 4.28Å; I79-R84 HydrophobicContact CG1-CG 3.51Å; R84-R100 CarbonylContact O-C 3.58Å; R84-R100 WeakPolarHBondContact O-CA 3.36Å; R84-R100 WeakPolarHBondContact O-CB 3.12Å; R84-Q101 HydrophobicContact CB-CG 4.01Å; R84-Q101 PolarHBondContact N-O 3.49Å; R84-Q101 PolarHBondContact O-N 2.92Å; R84-S105 PolarHBondContact NH2-O 3.28Å; R84-E106 VanDerWaalsContact NH2-C 3.26Å; R84-E106 PolarHBondContact NH2-O 2.98Å; R84-W111 HydrophobicContact CB-CH2 3.97Å; R84-W111 HydrophobicContact CB-CZ3 4.25Å; R84-W111 WeakPolarHBondContact O-CZ3 3.35Å
85Y97.5Very high95.2Very high11 Ų1156.2 Ų56.24%0.04330%0.301CS..EExtended strand (participates in β ladder)trans-120.9145179.3-65.7-91.3000110.6P77 Y78 K80 Y83 Q99 R100 L114 I134P77-Y85 CarbonylContact C-O 3.58Å; P77-Y85 WeakPolarHBondContact CA-O 3.26Å; Y78-Y85 HydrophobicContact CD2-CD2 4.19Å; Y78-Y85 AromaticContact CE2-CD2 3.68Å; Y78-Y85 HydrophobicContact CE2-CD2 3.68Å; Y78-Y85 AromaticContact CE2-CG 3.81Å; Y78-Y85 HydrophobicContact CE2-CG 3.81Å; Y78-Y85 AromaticContact CZ-CG 3.96Å; Y78-Y85 PolarHBondContact N-O 3.05Å; Y78-Y85 PolarHBondContact O-N 3.16Å; K80-Y85 HydrophobicContact CB-CD2 4.16Å; K80-Y85 HydrophobicContact CB-CE2 3.96Å; K80-Y85 WeakPolarHBondContact O-CE2 3.36Å; Y83-Y85 VanDerWaalsContact CB-CE2 3.48Å; Y85-Q99 WeakPolarHBondContact CA-O 3.44Å; Y85-R100 HydrophobicContact CD1-CB 3.69Å; Y85-R100 HydrophobicContact CE1-CB 3.67Å; Y85-R100 HydrophobicContact CE1-CG 4.39Å; Y85-R100 HydrophobicContact CG-CB 4.36Å; Y85-L114 HydrophobicContact CD1-CD1 3.91Å; Y85-L114 HydrophobicContact CE1-CD1 3.77Å; Y85-I134 HydrophobicContact CE1-CD1 3.53Å; Y85-I134 WeakPolarHBondContact OH-CD1 3.31Å
86R96.3Very high95.2Very high54 Ų5455.7 Ų55.720%0.20430%0.297CS..EExtended strand (participates in β ladder)trans-149.4168.1169.572.6-176.3-177.6-171-0.6110.3S75 Q99 W111S75-R86 WeakPolarHBondContact OG-CA 3.3Å; R86-Q99 HydrophobicContact CG-CB 4.15Å; R86-Q99 PolarHBondContact N-O 2.92Å; R86-Q99 PolarHBondContact O-N 2.99Å; R86-Q99 VanDerWaalsContact O-O 3.09Å; R86-W111 HydrophobicContact CB-CH2 4.19Å; R86-W111 HydrophobicContact CB-CZ3 4.03Å; R86-W111 HydrophobicContact CG-CD2 4.33Å; R86-W111 HydrophobicContact CG-CE3 3.75Å; R86-W111 HydrophobicContact CG-CH2 3.93Å; R86-W111 HydrophobicContact CG-CZ2 4.46Å; R86-W111 HydrophobicContact CG-CZ3 3.54Å; R86-W111 VanDerWaalsContact CZ-CD1 3.49Å; R86-W111 VanDerWaalsContact CZ-CD2 3.44Å; R86-W111 VanDerWaalsContact NH1-CE2 3.32Å
87H96.4Very high95.4Very high60 Ų6056 Ų5628%0.27830%0.296SS..EExtended strand (participates in β ladder)trans-128.2154.416464.5-98.7000110.6S75 Y89 A96 I97 Y98S75-H87 WeakPolarHBondContact CB-CE1 3.47Å; S75-H87 WeakPolarHBondContact CB-ND1 3.45Å; S75-H87 PolarHBondContact N-O 3.17Å; S75-H87 PolarHBondContact OG-N 2.69Å; S75-H87 PolarHBondContact OG-O 3.23Å; H87-Y89 AromaticContact CD2-CE2 3.89Å; H87-A96 HydrophobicContact CB-CB 4.16Å; H87-I97 CarbonylContact C-O 3.58Å; H87-I97 VanDerWaalsContact CA-O 3.25Å; H87-I97 WeakPolarHBondContact CA-O 3.41Å; H87-Y98 HydrophobicContact CB-CD1 3.83Å; H87-Y98 HydrophobicContact CB-CE1 3.86Å; H87-Y98 HydrophobicContact CB-CG 4.39Å
88I96.5Very high95.5Very high3 Ų356.1 Ų56.12%0.01529%0.291CS..EExtended strand (participates in β ladder)trans-133.4133.5-177.2-51.4178.2000109.5E73 V74 E90 A96 I97E73-I88 CarbonylContact O-C 3.57Å; E73-I88 VanDerWaalsContact O-CA 3.26Å; E73-I88 WeakPolarHBondContact O-CA 3.24Å; V74-I88 HydrophobicContact CG1-CG1 4.28Å; V74-I88 HydrophobicContact CG2-CG1 4.23Å; V74-I88 HydrophobicContact CG2-CG2 4.14Å; I88-E90 HydrophobicContact CG2-CG 4Å; I88-E90 WeakPolarHBondContact CG2-OE1 3.29Å; I88-A96 CarbonylContact O-C 3.56Å; I88-A96 WeakPolarHBondContact O-CA 3.47Å; I88-I97 PolarHBondContact N-O 2.97Å; I88-I97 PolarHBondContact O-N 2.89Å
89Y95.9Very high95.6Very high85 Ų8554.5 Ų54.533%0.33329%0.286SS..EExtended strand (participates in β ladder)trans-97.1119.5159.8-68.8-93.2000107.7R72 E73 H87 A96R72-Y89 VanDerWaalsContact CA-O 3.29Å; R72-Y89 WeakPolarHBondContact CA-O 3.36Å; E73-Y89 PolarHBondContact N-O 2.95Å; E73-Y89 PolarHBondContact O-N 3.5Å; H87-Y89 AromaticContact CD2-CE2 3.89Å; Y89-A96 HydrophobicContact CD1-CB 4.45Å; Y89-A96 HydrophobicContact CD2-CB 4.31Å; Y89-A96 HydrophobicContact CE1-CB 3.99Å; Y89-A96 VanDerWaalsContact CE1-N 3.35Å; Y89-A96 HydrophobicContact CE2-CB 3.83Å
90E95.1Very high95.7Very high59 Ų5951 Ų5128%0.27627%0.267SS..PPolyproline II helixtrans-95.1154.9175.7-69.8-66.1170.800110.4Q71 R72 I88 G92 C93 I97Q71-E90 CarbonylContact O-C 3.58Å; R72-E90 VanDerWaalsContact CD-OE2 3.27Å; R72-E90 WeakPolarHBondContact CD-OE2 3.12Å; R72-E90 IonicContact CZ-OE1 3.69Å; R72-E90 VanDerWaalsContact NE-CD 3.33Å; R72-E90 IonicContact NE-OE1 2.68Å; R72-E90 PolarHBondContact NE-OE1 3.27Å; R72-E90 IonicContact NE-OE2 2.66Å; R72-E90 PolarHBondContact NE-OE2 3.4Å; R72-E90 IonicContact NH2-OE1 3.91Å; R72-E90 PolarHBondContact NH2-OE1 3Å; I88-E90 HydrophobicContact CG2-CG 4Å; I88-E90 WeakPolarHBondContact CG2-OE1 3.29Å; E90-G92 PolarHBondContact O-N 2.99Å; E90-C93 VanDerWaalsContact O-CB 3.3Å; E90-C93 WeakPolarHBondContact O-CB 3.41Å; E90-C93 PolarHBondContact O-N 2.81Å; E90-I97 HydrophobicContact CG-CD1 4.13Å
91P93.2Very high95.7Very high76 Ų7647.8 Ų47.849%0.49425%0.253SS..THydrogen-bonded Turntrans-55.8128.9-178.9-26.434.5000112.9Q71 R72 C93Q71-P91 HydrophobicContact CB-CB 4.43Å; Q71-P91 HydrophobicContact CB-CG 4.29Å; Q71-P91 VanDerWaalsContact O-CA 3.31Å; Q71-P91 WeakPolarHBondContact O-CA 3.29Å; R72-P91 HydrophobicContact CB-CG 4.29Å; P91-C93 VanDerWaalsContact C-N 3.28Å; P91-C93 PolarHBondContact O-N 3.26Å
92G90.8Very high95.7Very high76 Ų7647.2 Ų47.278%0.78425%0.253SS*.THydrogen-bonded Turntrans79.53-178.600000115E90E90-G92 PolarHBondContact O-N 2.99Å
93C92.5Very high95.7Very high47 Ų4747 Ų4732%0.31825%0.247SC..  trans-97.9127.5171.4-68.80000110.5E90 P91 Y95 N118E90-C93 VanDerWaalsContact O-CB 3.3Å; E90-C93 WeakPolarHBondContact O-CB 3.41Å; E90-C93 PolarHBondContact O-N 2.81Å; P91-C93 VanDerWaalsContact C-N 3.28Å; P91-C93 PolarHBondContact O-N 3.26Å; C93-Y95 VanDerWaalsContact C-N 3.34Å; C93-N118 VanDerWaalsContact CB-OD1 3.28Å; C93-N118 WeakPolarHBondContact CB-OD1 3.44Å
94E92Very high95.4Very high159 Ų15952.7 Ų52.774%0.74327%0.274SS*.SBendtrans-78.6-20.6176.8-61.6-63155.900112.3N118E94-N118 PolarHBondContact N-OD1 3.36Å
95Y95.5Very high95.2Very high73 Ų7353 Ų5329%0.28628%0.281SS..SBendtrans-124.7155-174.5-55.6-81.6000112.8C93 A117 N118 A121 Y127C93-Y95 VanDerWaalsContact C-N 3.34Å; Y95-A117 HydrophobicContact CG-CB 4.34Å; Y95-N118 PolarHBondContact N-OD1 2.95Å; Y95-N118 PolarHBondContact O-ND2 2.87Å; Y95-N118 PolarHBondContact O-OD1 2.9Å; Y95-A121 HydrophobicContact CD2-CB 3.6Å; Y95-A121 HydrophobicContact CE2-CB 3.27Å; Y95-A121 HydrophobicContact CG-CB 4.47Å; Y95-Y127 AromaticContact CD1-CD1 3.84Å; Y95-Y127 HydrophobicContact CD1-CD1 3.84Å; Y95-Y127 AromaticContact CE1-CD1 3.78Å; Y95-Y127 HydrophobicContact CE1-CD1 3.78Å; Y95-Y127 HydrophobicContact CE1-CG 4.44Å; Y95-Y127 WeakPolarHBondContact CE1-O 3.46Å; Y95-Y127 HydrophobicContact CG-CD1 4.28Å
96A96.6Very high94.8Very high2 Ų259 Ų592%0.01731%0.31CS..PPolyproline II helixtrans-72145.8-178.900000113.8H87 I88 Y89 Y98 A117H87-A96 HydrophobicContact CB-CB 4.16Å; I88-A96 CarbonylContact O-C 3.56Å; I88-A96 WeakPolarHBondContact O-CA 3.47Å; Y89-A96 HydrophobicContact CD1-CB 4.45Å; Y89-A96 HydrophobicContact CD2-CB 4.31Å; Y89-A96 HydrophobicContact CE1-CB 3.99Å; Y89-A96 VanDerWaalsContact CE1-N 3.35Å; Y89-A96 HydrophobicContact CE2-CB 3.83Å; A96-Y98 HydrophobicContact CB-CD2 4.46Å; A96-Y98 HydrophobicContact CB-CE2 3.81Å; A96-A117 WeakPolarHBondContact O-CB 3.18Å; A96-A117 PolarHBondContact O-N 3.47Å
97I98Very high94.1Very high25 Ų2561.8 Ų61.813%0.12833%0.325CS..EExtended strand (participates in β ladder)trans-97.8119.1164.8-56.8173.2000107.8H87 I88 E90 Q99 T113 L115H87-I97 CarbonylContact C-O 3.58Å; H87-I97 VanDerWaalsContact CA-O 3.25Å; H87-I97 WeakPolarHBondContact CA-O 3.41Å; I88-I97 PolarHBondContact N-O 2.97Å; I88-I97 PolarHBondContact O-N 2.89Å; E90-I97 HydrophobicContact CG-CD1 4.13Å; I97-Q99 HydrophobicContact CG2-CG 4.2Å; I97-T113 HydrophobicContact CG2-CG2 3.75Å; I97-L115 CarbonylContact C-O 3.49Å; I97-L115 WeakPolarHBondContact CA-O 3.44Å
98Y98Very high93.6Very high45 Ų4570 Ų7018%0.17635%0.354CS..EExtended strand (participates in β ladder)trans-91.6129.9179.2-65.5-92.7000110.3H87 A96 L114 L115 M129 M132H87-Y98 HydrophobicContact CB-CD1 3.83Å; H87-Y98 HydrophobicContact CB-CE1 3.86Å; H87-Y98 HydrophobicContact CB-CG 4.39Å; A96-Y98 HydrophobicContact CB-CD2 4.46Å; A96-Y98 HydrophobicContact CB-CE2 3.81Å; Y98-L114 PolarHBondContact O-N 2.82Å; Y98-L115 HydrophobicContact CD2-CB 4.28Å; Y98-L115 HydrophobicContact CD2-CD2 4.21Å; Y98-L115 PolarHBondContact N-O 2.84Å; Y98-L115 PolarHBondContact O-N 2.86Å; Y98-M129 HydrophobicContact CD2-SD 4.24Å; Y98-M129 HydrophobicContact CE1-CE 3.85Å; Y98-M129 HydrophobicContact CE2-CE 3.75Å; Y98-M129 HydrophobicContact CE2-SD 3.61Å; Y98-M129 WeakPolarHBondContact OH-CE 3.43Å; Y98-M132 HydrophobicContact CD1-CE 3.75Å; Y98-M132 HydrophobicContact CG-CE 4.03Å
99Q97.6Very high93.4Very high26 Ų2673.5 Ų73.512%0.12137%0.372CS..EExtended strand (participates in β ladder)trans-131.8152.7-175.5-62.8-173.9-32.700111.8Y85 R86 I97 W111 E112Y85-Q99 WeakPolarHBondContact CA-O 3.44Å; R86-Q99 HydrophobicContact CG-CB 4.15Å; R86-Q99 PolarHBondContact N-O 2.92Å; R86-Q99 PolarHBondContact O-N 2.99Å; R86-Q99 VanDerWaalsContact O-O 3.09Å; I97-Q99 HydrophobicContact CG2-CG 4.2Å; Q99-W111 HydrophobicContact CB-CB 4.08Å; Q99-W111 HydrophobicContact CB-CE3 3.99Å; Q99-W111 HydrophobicContact CG-CB 4.49Å; Q99-E112 CarbonylContact C-O 3.44Å; Q99-E112 WeakPolarHBondContact CA-O 3.3Å
100R97.1Very high93.2Very high10 Ų1078.2 Ų78.24%0.03840%0.397CS..EExtended strand (participates in β ladder)trans-136162.7167.672.5174.1-179.4-176.4-3.2112.1Y83 R84 Y85 E112 L114 N138 L160Y83-R100 HydrophobicContact CD1-CB 4.42Å; Y83-R100 HydrophobicContact CD1-CG 4.09Å; R84-R100 CarbonylContact O-C 3.58Å; R84-R100 WeakPolarHBondContact O-CA 3.36Å; R84-R100 WeakPolarHBondContact O-CB 3.12Å; Y85-R100 HydrophobicContact CD1-CB 3.69Å; Y85-R100 HydrophobicContact CE1-CB 3.67Å; Y85-R100 HydrophobicContact CE1-CG 4.39Å; Y85-R100 HydrophobicContact CG-CB 4.36Å; R100-E112 HydrophobicContact CG-CB 4.31Å; R100-E112 IonicContact CZ-OE2 3.78Å; R100-E112 PolarHBondContact N-O 2.87Å; R100-E112 IonicContact NE-OE1 2.91Å; R100-E112 IonicContact NE-OE2 3.36Å; R100-E112 PolarHBondContact NE-OE2 2.78Å; R100-E112 IonicContact NH2-OE1 2.83Å; R100-E112 PolarHBondContact NH2-OE1 3.33Å; R100-E112 IonicContact NH2-OE2 3.54Å; R100-E112 PolarHBondContact NH2-OE2 2.87Å; R100-E112 VanDerWaalsContact NH2-OE2 3.09Å; R100-E112 WeakPolarHBondContact O-CB 3.31Å; R100-E112 PolarHBondContact O-N 3.38Å; R100-L114 HydrophobicContact CB-CD1 3.89Å; R100-L114 HydrophobicContact CB-CG 4.31Å; R100-L114 HydrophobicContact CG-CD1 3.92Å; R100-L114 HydrophobicContact CG-CD2 3.99Å; R100-L114 HydrophobicContact CG-CG 3.87Å; R100-N138 PolarHBondContact NH1-O 2.79Å; R100-L160 VanDerWaalsContact NH1-CD1 3.33Å
101Q96.2Very high93.3Very high6 Ų676.4 Ų76.43%0.02839%0.388CS..EExtended strand (participates in β ladder)trans-147.9164.5165.764.2179.7-2.700109.7Y83 R84 A103 D109 W111Y83-Q101 CarbonylContact C-O 3.53Å; Y83-Q101 WeakPolarHBondContact CA-O 3.5Å; Y83-Q101 WeakPolarHBondContact CD1-O 3.44Å; R84-Q101 HydrophobicContact CB-CG 4.01Å; R84-Q101 PolarHBondContact N-O 3.49Å; R84-Q101 PolarHBondContact O-N 2.92Å; Q101-A103 PolarHBondContact O-N 3.39Å; Q101-D109 PolarHBondContact OE1-O 3.25Å; Q101-W111 HydrophobicContact CB-CD2 4.19Å; Q101-W111 HydrophobicContact CB-CE3 4.17Å; Q101-W111 HydrophobicContact CB-CG 4.5Å; Q101-W111 HydrophobicContact CG-CD2 3.87Å; Q101-W111 HydrophobicContact CG-CE3 3.85Å; Q101-W111 HydrophobicContact CG-CH2 3.97Å; Q101-W111 HydrophobicContact CG-CZ2 3.98Å; Q101-W111 HydrophobicContact CG-CZ3 3.89Å
102S95.8Very high93.4Very high39 Ų3976.5 Ų76.527%0.27338%0.382SS..EExtended strand (participates in β ladder)trans-56.8140.8173.7176.20000110.5F104 S105S102-F104 PolarHBondContact O-N 2.95Å; S102-F104 WeakPolarHBondContact OG-CD2 3.44Å; S102-F104 PolarHBondContact OG-N 3.01Å; S102-S105 WeakPolarHBondContact O-CB 3.21Å; S102-S105 PolarHBondContact O-N 3.18Å
103A94Very high93.6Very high31 Ų3176 Ų7626%0.25636%0.364SS..THydrogen-bonded Turntrans-64.4-16.9172.700000112.5I79 G82 Q101I79-A103 HydrophobicContact CG2-CB 4.27Å; G82-A103 WeakPolarHBondContact O-CB 3.29Å; G82-A103 PolarHBondContact O-N 3.34Å; Q101-A103 PolarHBondContact O-N 3.39Å
104F92.1Very high93.8Very high187 Ų18773.8 Ų73.882%0.8235%0.348SS*.THydrogen-bonded Turntrans-90.6-12.7177.1-55.6-72.3000114.3S102S102-F104 PolarHBondContact O-N 2.95Å; S102-F104 WeakPolarHBondContact OG-CD2 3.44Å; S102-F104 PolarHBondContact OG-N 3.01Å
105S92.3Very high94.1Very high38 Ų3866.4 Ų66.427%0.26631%0.314SS..SBendtrans-65.6157.3173-69.70000110.5R84 S102 D109R84-S105 PolarHBondContact NH2-O 3.28Å; S102-S105 WeakPolarHBondContact O-CB 3.21Å; S102-S105 PolarHBondContact O-N 3.18Å; S105-D109 WeakPolarHBondContact CA-OD2 3.48Å; S105-D109 VanDerWaalsContact CB-OD2 3.28Å; S105-D109 WeakPolarHBondContact CB-OD2 3.37Å
106E89.7Confident94.1Very high139 Ų13964.2 Ų64.265%0.6531%0.308SS*.  trans-69.2162.5167-70.6-65.9166.500110.2R84 W108 D109R84-E106 VanDerWaalsContact NH2-C 3.26Å; R84-E106 PolarHBondContact NH2-O 2.98Å; E106-W108 PolarHBondContact O-N 3.19Å; E106-D109 PolarHBondContact N-OD2 3.02Å; E106-D109 PolarHBondContact O-N 2.89Å
107E80.6Confident94.2Very high112 Ų11264.3 Ų64.352%0.52331%0.308SS..THydrogen-bonded Turntrans-63.2-31.9-179-173.6169.9-175.400113.6W111E107-W111 PolarHBondContact O-NE1 2.92Å
108W86.2Confident94.1Very high233 Ų23364.5 Ų64.588%0.88331%0.309SS*.THydrogen-bonded Turntrans-88.9-2.2-176.5-49.9104000114.1E106E106-W108 PolarHBondContact O-N 3.19Å
109D91.5Very high94.1Very high75 Ų7569.9 Ų69.940%0.40133%0.334SS..SBendtrans-65.8165.9174.8-72.7-16.2000111Q101 S105 E106 W111Q101-D109 PolarHBondContact OE1-O 3.25Å; S105-D109 WeakPolarHBondContact CA-OD2 3.48Å; S105-D109 VanDerWaalsContact CB-OD2 3.28Å; S105-D109 WeakPolarHBondContact CB-OD2 3.37Å; E106-D109 PolarHBondContact N-OD2 3.02Å; E106-D109 PolarHBondContact O-N 2.89Å; D109-W111 VanDerWaalsContact O-CD1 3.25Å
110E92.1Very high94Very high184 Ų18471.9 Ų71.986%0.8634%0.34SS*.PPolyproline II helixtrans-67.9135.1-178.4-169.4177179.400111.6
111W96.3Very high93.9Very high22 Ų2271.8 Ų71.88%0.08334%0.342CS..PPolyproline II helixtrans-96.7128.4176-70.669.2000110.7P77 R84 R86 Q99 Q101 E107 D109P77-W111 HydrophobicContact CB-CH2 4.02Å; R84-W111 HydrophobicContact CB-CH2 3.97Å; R84-W111 HydrophobicContact CB-CZ3 4.25Å; R84-W111 WeakPolarHBondContact O-CZ3 3.35Å; R86-W111 HydrophobicContact CB-CH2 4.19Å; R86-W111 HydrophobicContact CB-CZ3 4.03Å; R86-W111 HydrophobicContact CG-CD2 4.33Å; R86-W111 HydrophobicContact CG-CE3 3.75Å; R86-W111 HydrophobicContact CG-CH2 3.93Å; R86-W111 HydrophobicContact CG-CZ2 4.46Å; R86-W111 HydrophobicContact CG-CZ3 3.54Å; R86-W111 VanDerWaalsContact CZ-CD1 3.49Å; R86-W111 VanDerWaalsContact CZ-CD2 3.44Å; R86-W111 VanDerWaalsContact NH1-CE2 3.32Å; Q99-W111 HydrophobicContact CB-CB 4.08Å; Q99-W111 HydrophobicContact CB-CE3 3.99Å; Q99-W111 HydrophobicContact CG-CB 4.49Å; Q101-W111 HydrophobicContact CB-CD2 4.19Å; Q101-W111 HydrophobicContact CB-CE3 4.17Å; Q101-W111 HydrophobicContact CB-CG 4.5Å; Q101-W111 HydrophobicContact CG-CD2 3.87Å; Q101-W111 HydrophobicContact CG-CE3 3.85Å; Q101-W111 HydrophobicContact CG-CH2 3.97Å; Q101-W111 HydrophobicContact CG-CZ2 3.98Å; Q101-W111 HydrophobicContact CG-CZ3 3.89Å; E107-W111 PolarHBondContact O-NE1 2.92Å; D109-W111 VanDerWaalsContact O-CD1 3.25Å
112E95.4Very high93.8Very high77 Ų7774.6 Ų74.636%0.3637%0.366SS..EExtended strand (participates in β ladder)trans-71.1127.8172.6-174.9-165165.600110Q99 R100 L114Q99-E112 CarbonylContact C-O 3.44Å; Q99-E112 WeakPolarHBondContact CA-O 3.3Å; R100-E112 HydrophobicContact CG-CB 4.31Å; R100-E112 IonicContact CZ-OE2 3.78Å; R100-E112 PolarHBondContact N-O 2.87Å; R100-E112 IonicContact NE-OE1 2.91Å; R100-E112 IonicContact NE-OE2 3.36Å; R100-E112 PolarHBondContact NE-OE2 2.78Å; R100-E112 IonicContact NH2-OE1 2.83Å; R100-E112 PolarHBondContact NH2-OE1 3.33Å; R100-E112 IonicContact NH2-OE2 3.54Å; R100-E112 PolarHBondContact NH2-OE2 2.87Å; R100-E112 VanDerWaalsContact NH2-OE2 3.09Å; R100-E112 WeakPolarHBondContact O-CB 3.31Å; R100-E112 PolarHBondContact O-N 3.38Å; E112-L114 PolarHBondContact O-N 2.94Å
113T96.3Very high93.6Very high66 Ų6681.6 Ų81.641%0.40539%0.394SS..EExtended strand (participates in β ladder)trans-79110.4171-61.90000110.6I97 D116I97-T113 HydrophobicContact CG2-CG2 3.75Å; T113-D116 HydrophobicContact CG2-CB 4.47Å
114L96.6Very high93.5Very high0 Ų082.5 Ų82.50%040%0.399CS..EExtended strand (participates in β ladder)trans-73.9-47.6174.4-73.6171.6000111.8Y85 Y98 R100 E112 M132 I134 M141 R158 L160Y85-L114 HydrophobicContact CD1-CD1 3.91Å; Y85-L114 HydrophobicContact CE1-CD1 3.77Å; Y98-L114 PolarHBondContact O-N 2.82Å; R100-L114 HydrophobicContact CB-CD1 3.89Å; R100-L114 HydrophobicContact CB-CG 4.31Å; R100-L114 HydrophobicContact CG-CD1 3.92Å; R100-L114 HydrophobicContact CG-CD2 3.99Å; R100-L114 HydrophobicContact CG-CG 3.87Å; E112-L114 PolarHBondContact O-N 2.94Å; L114-M132 HydrophobicContact CD1-CE 4.41Å; L114-I134 HydrophobicContact CD1-CD1 3.92Å; L114-I134 HydrophobicContact CD2-CD1 4.16Å; L114-M141 HydrophobicContact CB-SD 4.31Å; L114-R158 PolarHBondContact O-NH1 2.65Å; L114-L160 HydrophobicContact CD2-CD1 4.09Å; L114-L160 HydrophobicContact CD2-CD2 3.77Å
115L97.2Very high93.4Very high5 Ų583.6 Ų83.63%0.02641%0.406CS..EExtended strand (participates in β ladder)trans-150.5132-175.9-173.472.5000110.1I97 Y98 R120 M129 M141 L143I97-L115 CarbonylContact C-O 3.49Å; I97-L115 WeakPolarHBondContact CA-O 3.44Å; Y98-L115 HydrophobicContact CD2-CB 4.28Å; Y98-L115 HydrophobicContact CD2-CD2 4.21Å; Y98-L115 PolarHBondContact N-O 2.84Å; Y98-L115 PolarHBondContact O-N 2.86Å; L115-R120 HydrophobicContact CD1-CG 3.77Å; L115-R120 HydrophobicContact CG-CG 4.39Å; L115-M129 HydrophobicContact CD2-SD 3.71Å; L115-M141 HydrophobicContact CD1-CE 4.41Å; L115-L143 HydrophobicContact CD1-CD2 3.66Å; L115-L143 HydrophobicContact CD2-CD1 3.56Å; L115-L143 HydrophobicContact CD2-CD2 3.74Å; L115-L143 HydrophobicContact CD2-CG 4.32Å; L115-L143 HydrophobicContact CG-CD2 4.36Å
116D97.2Very high93.3Very high27 Ų2785 Ų8514%0.14441%0.408CS..EExtended strand (participates in β ladder)trans-107101.6166.1179.2-8.6000107.6T113 N118 K119 R120T113-D116 HydrophobicContact CG2-CB 4.47Å; D116-N118 PolarHBondContact O-N 2.81Å; D116-N118 VanDerWaalsContact OD1-CB 3.31Å; D116-N118 WeakPolarHBondContact OD1-CB 3.43Å; D116-N118 PolarHBondContact OD1-N 3.28Å; D116-N118 VanDerWaalsContact OD1-N 3.09Å; D116-N118 PolarHBondContact OD1-ND2 3.19Å; D116-K119 HydrophobicContact CB-CB 4.34Å; D116-K119 HydrophobicContact CB-CD 4Å; D116-K119 HydrophobicContact CB-CG 4.21Å; D116-K119 PolarHBondContact O-N 3.2Å; D116-K119 PolarHBondContact OD1-N 3.06Å; D116-K119 WeakPolarHBondContact OD2-CD 3.28Å; D116-K119 WeakPolarHBondContact OD2-CE 3.2Å; D116-K119 WeakPolarHBondContact OD2-CG 3.42Å; D116-K119 IonicContact OD2-NZ 3.9Å; D116-R120 PolarHBondContact O-N 3.07Å
117A97.4Very high93.6Very high3 Ų378.8 Ų78.83%0.02538%0.378CS..Hα-helixtrans-65.3-24.7-176.600000112.4Y95 A96 K119 R120 A121 Y127Y95-A117 HydrophobicContact CG-CB 4.34Å; A96-A117 WeakPolarHBondContact O-CB 3.18Å; A96-A117 PolarHBondContact O-N 3.47Å; A117-K119 VanDerWaalsContact C-N 3.32Å; A117-K119 PolarHBondContact O-N 2.97Å; A117-R120 WeakPolarHBondContact O-CB 3.34Å; A117-R120 PolarHBondContact O-N 2.87Å; A117-R120 VanDerWaalsContact O-N 3.15Å; A117-A121 WeakPolarHBondContact O-CB 3.5Å; A117-A121 PolarHBondContact O-N 3.35Å; A117-Y127 HydrophobicContact CB-CE1 3.79Å
118N97.2Very high94.3Very high29 Ų2975.2 Ų75.216%0.15537%0.365CS..Hα-helixtrans-64.9-40175.3-53.3-82000110.9C93 E94 Y95 D116 R120 A121 A122C93-N118 VanDerWaalsContact CB-OD1 3.28Å; C93-N118 WeakPolarHBondContact CB-OD1 3.44Å; E94-N118 PolarHBondContact N-OD1 3.36Å; Y95-N118 PolarHBondContact N-OD1 2.95Å; Y95-N118 PolarHBondContact O-ND2 2.87Å; Y95-N118 PolarHBondContact O-OD1 2.9Å; D116-N118 PolarHBondContact O-N 2.81Å; D116-N118 VanDerWaalsContact OD1-CB 3.31Å; D116-N118 WeakPolarHBondContact OD1-CB 3.43Å; D116-N118 PolarHBondContact OD1-N 3.28Å; D116-N118 VanDerWaalsContact OD1-N 3.09Å; D116-N118 PolarHBondContact OD1-ND2 3.19Å; N118-R120 VanDerWaalsContact C-N 3.3Å; N118-R120 PolarHBondContact O-N 2.94Å; N118-A121 PolarHBondContact O-N 3.07Å; N118-A122 PolarHBondContact O-N 3.39Å
119K96.5Very high94.7Very high158 Ų15866.2 Ų66.269%0.68733%0.334SS*.Hα-helixtrans-66.3-32.9173.9-70.8176.6-173.3160.90112.4D116 A117D116-K119 HydrophobicContact CB-CB 4.34Å; D116-K119 HydrophobicContact CB-CD 4Å; D116-K119 HydrophobicContact CB-CG 4.21Å; D116-K119 PolarHBondContact O-N 3.2Å; D116-K119 PolarHBondContact OD1-N 3.06Å; D116-K119 WeakPolarHBondContact OD2-CD 3.28Å; D116-K119 WeakPolarHBondContact OD2-CE 3.2Å; D116-K119 WeakPolarHBondContact OD2-CG 3.42Å; D116-K119 IonicContact OD2-NZ 3.9Å; A117-K119 VanDerWaalsContact C-N 3.32Å; A117-K119 PolarHBondContact O-N 2.97Å
120R95.9Very high94.9Very high68 Ų6864 Ų6426%0.25733%0.329SS..Hα-helixtrans-68.7-40.7174.8-58.2-60.6-65158.1-0.2111.2L115 D116 A117 N118 Y127 E145L115-R120 HydrophobicContact CD1-CG 3.77Å; L115-R120 HydrophobicContact CG-CG 4.39Å; D116-R120 PolarHBondContact O-N 3.07Å; A117-R120 WeakPolarHBondContact O-CB 3.34Å; A117-R120 PolarHBondContact O-N 2.87Å; A117-R120 VanDerWaalsContact O-N 3.15Å; N118-R120 VanDerWaalsContact C-N 3.3Å; N118-R120 PolarHBondContact O-N 2.94Å; R120-Y127 HydrophobicContact CB-CD2 4.41Å; R120-Y127 HydrophobicContact CB-CE1 4.3Å; R120-Y127 HydrophobicContact CB-CE2 3.66Å; R120-E145 IonicContact CZ-OE1 2.8Å; R120-E145 IonicContact CZ-OE2 2.97Å; R120-E145 IonicContact NE-OE1 2.88Å; R120-E145 PolarHBondContact NE-OE1 2.75Å; R120-E145 IonicContact NE-OE2 3.03Å; R120-E145 IonicContact NH2-OE1 3.8Å; R120-E145 PolarHBondContact NH2-OE1 2.82Å; R120-E145 IonicContact NH2-OE2 3.93Å; R120-E145 PolarHBondContact NH2-OE2 3.34Å
121A96.2Very high95Very high9 Ų956 Ų567%0.07430%0.296CS..Hα-helixtrans-80.4-17.8-177.100000115Y95 A117 N118 H123 S124 Y127Y95-A121 HydrophobicContact CD2-CB 3.6Å; Y95-A121 HydrophobicContact CE2-CB 3.27Å; Y95-A121 HydrophobicContact CG-CB 4.47Å; A117-A121 WeakPolarHBondContact O-CB 3.5Å; A117-A121 PolarHBondContact O-N 3.35Å; N118-A121 PolarHBondContact O-N 3.07Å; A121-H123 PolarHBondContact O-N 2.79Å; A121-S124 PolarHBondContact O-N 2.8Å; A121-Y127 HydrophobicContact CB-CD1 3.93Å; A121-Y127 HydrophobicContact CB-CD2 4.48Å; A121-Y127 HydrophobicContact CB-CG 3.73Å
122A94Very high95Very high65 Ų6557.2 Ų57.254%0.53730%0.303SS..THydrogen-bonded Turntrans-53.9-18.5-16700000117N118N118-A122 PolarHBondContact O-N 3.39Å
123H91.6Very high95Very high185 Ų18554.5 Ų54.586%0.85629%0.294SS*.THydrogen-bonded Turntrans-125.327.7-178.6-56-46.4000112.6A121A121-H123 PolarHBondContact O-N 2.79Å
124S91.8Very high95.1Very high51 Ų5152.6 Ų52.636%0.35728%0.281SS..  trans-136.6140.6-177.8-570000110.7A121 F126 F147A121-S124 PolarHBondContact O-N 2.8Å; S124-F126 VanDerWaalsContact CB-O 3.3Å; S124-F126 WeakPolarHBondContact CB-O 3.33Å; S124-F126 PolarHBondContact O-N 3Å; S124-F147 VanDerWaalsContact OG-CD1 3.28Å; S124-F147 WeakPolarHBondContact OG-CD1 3.34Å
125E89.9Confident95.1Very high210 Ų21052.6 Ų52.698%0.98128%0.281SS*.SBendtrans-70.9-23176.3-63.4-175.3164.900112
126F90.7Very high95.1Very high67 Ų6754.5 Ų54.529%0.29429%0.294SS..  trans-137.9143.8175.4176.7-91.8000109.8S124 D146 F147S124-F126 VanDerWaalsContact CB-O 3.3Å; S124-F126 WeakPolarHBondContact CB-O 3.33Å; S124-F126 PolarHBondContact O-N 3Å; F126-D146 HydrophobicContact CE1-CB 4.27Å; F126-D146 WeakPolarHBondContact CE1-O 3.42Å; F126-F147 WeakPolarHBondContact O-CA 3.43Å
127Y95.1Very high95.1Very high8 Ų857 Ų573%0.03131%0.308CS..  trans-145.5131.7169.4179.2-104.7000109.8Y95 A117 R120 A121 M129 E145 F147Y95-Y127 AromaticContact CD1-CD1 3.84Å; Y95-Y127 HydrophobicContact CD1-CD1 3.84Å; Y95-Y127 AromaticContact CE1-CD1 3.78Å; Y95-Y127 HydrophobicContact CE1-CD1 3.78Å; Y95-Y127 HydrophobicContact CE1-CG 4.44Å; Y95-Y127 WeakPolarHBondContact CE1-O 3.46Å; Y95-Y127 HydrophobicContact CG-CD1 4.28Å; A117-Y127 HydrophobicContact CB-CE1 3.79Å; R120-Y127 HydrophobicContact CB-CD2 4.41Å; R120-Y127 HydrophobicContact CB-CE1 4.3Å; R120-Y127 HydrophobicContact CB-CE2 3.66Å; A121-Y127 HydrophobicContact CB-CD1 3.93Å; A121-Y127 HydrophobicContact CB-CD2 4.48Å; A121-Y127 HydrophobicContact CB-CG 3.73Å; Y127-M129 HydrophobicContact CE1-CB 4.16Å; Y127-E145 HydrophobicContact CE2-CB 4.03Å; Y127-E145 HydrophobicContact CE2-CG 3.98Å; Y127-E145 VanDerWaalsContact CE2-OE1 3.25Å; Y127-E145 WeakPolarHBondContact CE2-OE1 3.47Å; Y127-E145 PolarHBondContact OH-OE1 2.93Å; Y127-F147 AromaticContact CD2-CD1 3.76Å; Y127-F147 HydrophobicContact CD2-CD1 3.76Å; Y127-F147 AromaticContact CD2-CE1 3.32Å; Y127-F147 HydrophobicContact CD2-CE1 3.32Å; Y127-F147 AromaticContact CD2-CZ 3.76Å; Y127-F147 HydrophobicContact CD2-CZ 3.76Å; Y127-F147 HydrophobicContact CE2-CD1 4.46Å; Y127-F147 AromaticContact CE2-CE1 3.67Å; Y127-F147 HydrophobicContact CE2-CE1 3.67Å; Y127-F147 HydrophobicContact CE2-CE2 4.38Å; Y127-F147 AromaticContact CE2-CZ 3.61Å; Y127-F147 HydrophobicContact CE2-CZ 3.61Å; Y127-F147 HydrophobicContact CG-CE1 4.48Å
128S94.8Very high95.1Very high37 Ų3758.1 Ų58.126%0.25931%0.313SS..EExtended strand (participates in β ladder)trans-135.6130.9168.6179.30000109.9E145 D146S128-E145 WeakPolarHBondContact O-CA 3.33Å; S128-D146 PolarHBondContact N-O 3.37Å; S128-D146 PolarHBondContact O-N 2.9Å
129M95.6Very high95.1Very high44 Ų4458 Ų5822%0.21731%0.313CS..EExtended strand (participates in β ladder)trans-94.2110.5171.4-170.5-166.277.400108.7Y98 L115 Y127 L143Y98-M129 HydrophobicContact CD2-SD 4.24Å; Y98-M129 HydrophobicContact CE1-CE 3.85Å; Y98-M129 HydrophobicContact CE2-CE 3.75Å; Y98-M129 HydrophobicContact CE2-SD 3.61Å; Y98-M129 WeakPolarHBondContact OH-CE 3.43Å; L115-M129 HydrophobicContact CD2-SD 3.71Å; Y127-M129 HydrophobicContact CE1-CB 4.16Å; M129-L143 HydrophobicContact CG-CD1 3.62Å; M129-L143 HydrophobicContact SD-CD1 3.69Å
130G94.6Very high95.2Very high30 Ų3050.9 Ų50.931%0.30928%0.282SS..EExtended strand (participates in β ladder)trans-81.2-30.7-176.900000113.8A144G130-A144 PolarHBondContact N-O 3.31Å
131G94.3Very high95.3Very high16 Ų1647.6 Ų47.617%0.16527%0.27CS..EExtended strand (participates in β ladder)trans-175153.7-178.400000113.2A144G131-A144 PolarHBondContact O-N 2.72Å
132M96.7Very high95.4Very high46 Ų4647.2 Ų47.223%0.22727%0.267CS..EExtended strand (participates in β ladder)trans-139.7129.9175.4-178.1179.965.600109.1Y98 L114 M141 A142 L143Y98-M132 HydrophobicContact CD1-CE 3.75Å; Y98-M132 HydrophobicContact CG-CE 4.03Å; L114-M132 HydrophobicContact CD1-CE 4.41Å; M132-M141 HydrophobicContact CG-CG 3.82Å; M132-M141 HydrophobicContact CG-SD 3.9Å; M132-M141 HydrophobicContact SD-CG 4.24Å; M132-M141 HydrophobicContact SD-SD 3.53Å; M132-A142 WeakPolarHBondContact CA-O 3.46Å; M132-L143 HydrophobicContact CB-CD1 4.23Å; M132-L143 HydrophobicContact CG-CD1 4.49Å
133A96.3Very high95.6Very high21 Ų2144.1 Ų44.117%0.17424%0.241CC..EExtended strand (participates in β ladder)trans-141.7144.4172.200000111.6A142 F177 W179A133-A142 PolarHBondContact N-O 2.79Å; A133-A142 PolarHBondContact O-N 3Å; A133-F177 HydrophobicContact CB-CD2 4.27Å; A133-F177 HydrophobicContact CB-CE2 3.54Å; A133-F177 HydrophobicContact CB-CZ 4.42Å; A133-W179 PolarHBondContact O-NE1 3.24Å
134I97.6Very high95.9Very high26 Ų2635.3 Ų35.313%0.13320%0.2CC..EExtended strand (participates in β ladder)trans-107.4144.5179.5-65.4168.4000109Y85 L114 N138 I140 M141 L160Y85-I134 HydrophobicContact CE1-CD1 3.53Å; Y85-I134 WeakPolarHBondContact OH-CD1 3.31Å; L114-I134 HydrophobicContact CD1-CD1 3.92Å; L114-I134 HydrophobicContact CD2-CD1 4.16Å; I134-N138 HydrophobicContact CG2-CB 4.39Å; I134-I140 CarbonylContact C-O 3.51Å; I134-I140 VanDerWaalsContact CA-O 3.28Å; I134-I140 WeakPolarHBondContact CA-O 3.47Å; I134-M141 HydrophobicContact CG1-CB 4.2Å; I134-M141 HydrophobicContact CG1-CG 4.31Å; I134-L160 HydrophobicContact CD1-CD1 4.14Å; I134-L160 HydrophobicContact CG1-CD1 4.18Å; I134-L160 HydrophobicContact CG2-CD1 4.05Å
135T97.5Very high96.1Very high0 Ų033 Ų330%018%0.184CC..  trans-59.7153.9177.147.30000112.7D137 N138 T139 I140 W179T135-D137 WeakPolarHBondContact CB-OD1 3.45Å; T135-D137 PolarHBondContact O-N 2.8Å; T135-D137 PolarHBondContact OG1-OD1 3.12Å; T135-N138 WeakPolarHBondContact O-CA 3.46Å; T135-N138 PolarHBondContact O-N 3.29Å; T135-T139 PolarHBondContact OG1-N 3.15Å; T135-I140 HydrophobicContact CG2-CB 3.77Å; T135-I140 HydrophobicContact CG2-CD1 4.46Å; T135-I140 PolarHBondContact N-O 3.39Å; T135-I140 PolarHBondContact OG1-N 3.11Å; T135-I140 PolarHBondContact OG1-O 2.88Å; T135-W179 HydrophobicContact CG2-CD2 3.53Å; T135-W179 HydrophobicContact CG2-CE3 3.6Å; T135-W179 HydrophobicContact CG2-CG 4.18Å; T135-W179 HydrophobicContact CG2-CH2 3.72Å; T135-W179 HydrophobicContact CG2-CZ2 3.66Å; T135-W179 HydrophobicContact CG2-CZ3 3.7Å
136P96.5Very high96.4Very high45 Ų4523.1 Ų23.129%0.29214%0.138SC..THydrogen-bonded Turntrans-54-29.9175.5-27.733.7000115.6N81 N138 A180 S183N81-P136 PolarHBondContact ND2-O 2.61Å; P136-N138 VanDerWaalsContact C-N 3.31Å; P136-A180 WeakPolarHBondContact CG-O 3.33Å; P136-S183 WeakPolarHBondContact CD-OG 3.47Å
137D97.2Very high96.5Very high80 Ų8022.6 Ų22.643%0.42814%0.136SC..THydrogen-bonded Turntrans-83.9-1.2175.270.5-9.9000114.1T135 T139 S183T135-D137 WeakPolarHBondContact CB-OD1 3.45Å; T135-D137 PolarHBondContact O-N 2.8Å; T135-D137 PolarHBondContact OG1-OD1 3.12Å; D137-T139 VanDerWaalsContact C-N 3.31Å; D137-T139 HydrophobicContact CB-CG2 4.29Å; D137-T139 PolarHBondContact O-N 3.46Å; D137-T139 PolarHBondContact OD1-N 3.33Å; D137-T139 PolarHBondContact OD1-OG1 3.34Å; D137-T139 VanDerWaalsContact OD2-CG2 3.31Å; D137-T139 WeakPolarHBondContact OD2-CG2 3.32Å; D137-T139 PolarHBondContact OD2-OG1 3.46Å; D137-S183 VanDerWaalsContact CG-CB 3.42Å; D137-S183 PolarHBondContact N-OG 3.41Å; D137-S183 VanDerWaalsContact N-OG 3.09Å; D137-S183 WeakPolarHBondContact OD1-CB 3.25Å; D137-S183 PolarHBondContact OD1-OG 3Å
138N97.3Very high96.1Very high26 Ų2628 Ų2814%0.13916%0.164CC..SBendtrans65.716.4-176.9-63-65000116.7N81 Y83 R100 I134 T135 P136N81-N138 PolarHBondContact ND2-ND2 3.08Å; N81-N138 VanDerWaalsContact ND2-ND2 3.1Å; N81-N138 PolarHBondContact ND2-OD1 3.26Å; N81-N138 PolarHBondContact O-ND2 3.07Å; Y83-N138 HydrophobicContact CD2-CB 4.26Å; Y83-N138 HydrophobicContact CE2-CB 3.71Å; Y83-N138 VanDerWaalsContact CE2-CG 3.47Å; Y83-N138 WeakPolarHBondContact CE2-ND2 3.48Å; R100-N138 PolarHBondContact NH1-O 2.79Å; I134-N138 HydrophobicContact CG2-CB 4.39Å; T135-N138 WeakPolarHBondContact O-CA 3.46Å; T135-N138 PolarHBondContact O-N 3.29Å; P136-N138 VanDerWaalsContact C-N 3.31Å
139T97.4Very high95.7Very high26 Ų2628.9 Ų28.916%0.1617%0.17CC..  trans-95.2-25.2-173.366.80000114.8T135 D137 L160T135-T139 PolarHBondContact OG1-N 3.15Å; D137-T139 VanDerWaalsContact C-N 3.31Å; D137-T139 HydrophobicContact CB-CG2 4.29Å; D137-T139 PolarHBondContact O-N 3.46Å; D137-T139 PolarHBondContact OD1-N 3.33Å; D137-T139 PolarHBondContact OD1-OG1 3.34Å; D137-T139 VanDerWaalsContact OD2-CG2 3.31Å; D137-T139 WeakPolarHBondContact OD2-CG2 3.32Å; D137-T139 PolarHBondContact OD2-OG1 3.46Å; T139-L160 WeakPolarHBondContact O-CB 3.49Å; T139-L160 PolarHBondContact O-N 3.25Å
140I98Very high95.1Very high8 Ų831.1 Ų31.14%0.04118%0.177CC..EExtended strand (participates in β ladder)trans-128.6136.6-175.3-58.8159.7000110.6I134 T135 F157 R158 Y166 W179 I206I134-I140 CarbonylContact C-O 3.51Å; I134-I140 VanDerWaalsContact CA-O 3.28Å; I134-I140 WeakPolarHBondContact CA-O 3.47Å; T135-I140 HydrophobicContact CG2-CB 3.77Å; T135-I140 HydrophobicContact CG2-CD1 4.46Å; T135-I140 PolarHBondContact N-O 3.39Å; T135-I140 PolarHBondContact OG1-N 3.11Å; T135-I140 PolarHBondContact OG1-O 2.88Å; I140-F157 HydrophobicContact CG2-CB 4.21Å; I140-R158 CarbonylContact C-O 3.57Å; I140-R158 WeakPolarHBondContact CA-O 3.33Å; I140-Y166 HydrophobicContact CG1-CE2 4.27Å; I140-Y166 HydrophobicContact CG2-CE2 4.23Å; I140-W179 HydrophobicContact CB-CH2 4.47Å; I140-W179 HydrophobicContact CG2-CH2 3.85Å; I140-W179 HydrophobicContact CG2-CZ2 3.98Å; I140-I206 HydrophobicContact CD1-CG2 4.24Å
141M98Very high94.7Very high0 Ų033.9 Ų33.90%018%0.178CC..EExtended strand (participates in β ladder)trans-106.8129.6171.7179.2-176.976.700110.3L114 L115 M132 I134 F157 R158 L160 W165L114-M141 HydrophobicContact CB-SD 4.31Å; L115-M141 HydrophobicContact CD1-CE 4.41Å; M132-M141 HydrophobicContact CG-CG 3.82Å; M132-M141 HydrophobicContact CG-SD 3.9Å; M132-M141 HydrophobicContact SD-CG 4.24Å; M132-M141 HydrophobicContact SD-SD 3.53Å; I134-M141 HydrophobicContact CG1-CB 4.2Å; I134-M141 HydrophobicContact CG1-CG 4.31Å; M141-F157 CarbonylContact O-C 3.55Å; M141-F157 VanDerWaalsContact O-CA 3.28Å; M141-F157 WeakPolarHBondContact O-CA 3.38Å; M141-R158 HydrophobicContact CE-CB 4.11Å; M141-R158 PolarHBondContact N-O 2.88Å; M141-R158 PolarHBondContact O-N 3.15Å; M141-L160 HydrophobicContact CB-CD1 4.17Å; M141-L160 HydrophobicContact CB-CD2 3.84Å; M141-L160 HydrophobicContact CB-CG 4.15Å; M141-W165 HydrophobicContact CE-CH2 3.95Å
142A98.4Very high94.4Very high0 Ų034.7 Ų34.70%018%0.177CC..EExtended strand (participates in β ladder)trans-96.2140.9164.100000110.1M132 A133 I155 R156 F157 F177 W179 F186M132-A142 WeakPolarHBondContact CA-O 3.46Å; A133-A142 PolarHBondContact N-O 2.79Å; A133-A142 PolarHBondContact O-N 3Å; A142-I155 HydrophobicContact CB-CG2 4.4Å; A142-R156 WeakPolarHBondContact CA-O 3.42Å; A142-F157 HydrophobicContact CB-CD1 3.73Å; A142-F157 HydrophobicContact CB-CE1 3.73Å; A142-F177 HydrophobicContact CB-CD2 4.3Å; A142-F177 HydrophobicContact CB-CE2 3.75Å; A142-F177 HydrophobicContact CB-CZ 4.28Å; A142-W179 HydrophobicContact CB-CZ2 3.69Å; A142-F186 HydrophobicContact CB-CE2 3.64Å; A142-F186 HydrophobicContact CB-CZ 3.92Å
143L98Very high94.4Very high0 Ų033.7 Ų33.70%017%0.171CC..EExtended strand (participates in β ladder)trans-137.8121.5-178.1-176.767.5000110.5L115 M129 M132 E145 I155 R156 W165L115-L143 HydrophobicContact CD1-CD2 3.66Å; L115-L143 HydrophobicContact CD2-CD1 3.56Å; L115-L143 HydrophobicContact CD2-CD2 3.74Å; L115-L143 HydrophobicContact CD2-CG 4.32Å; L115-L143 HydrophobicContact CG-CD2 4.36Å; M129-L143 HydrophobicContact CG-CD1 3.62Å; M129-L143 HydrophobicContact SD-CD1 3.69Å; M132-L143 HydrophobicContact CB-CD1 4.23Å; M132-L143 HydrophobicContact CG-CD1 4.49Å; L143-E145 HydrophobicContact CD1-CG 4.5Å; L143-E145 HydrophobicContact CD2-CG 3.79Å; L143-E145 WeakPolarHBondContact CD2-OE1 3.34Å; L143-E145 HydrophobicContact CG-CG 3.7Å; L143-I155 CarbonylContact O-C 3.58Å; L143-I155 VanDerWaalsContact O-CA 3.28Å; L143-I155 WeakPolarHBondContact O-CA 3.42Å; L143-R156 PolarHBondContact N-O 3.01Å; L143-R156 PolarHBondContact O-N 2.97Å; L143-W165 HydrophobicContact CD2-CH2 3.84Å; L143-W165 HydrophobicContact CD2-CZ3 4.47Å
144A98Very high94.5Very high0 Ų033 Ų330%017%0.166CC..EExtended strand (participates in β ladder)trans-97.9125172.700000111G130 G131 Y153 G154 I155 P175 F177G130-A144 PolarHBondContact N-O 3.31Å; G131-A144 PolarHBondContact O-N 2.72Å; A144-Y153 HydrophobicContact CB-CD1 4.22Å; A144-Y153 HydrophobicContact CB-CG 4.41Å; A144-G154 WeakPolarHBondContact CA-O 3.31Å; A144-I155 HydrophobicContact CB-CG1 3.88Å; A144-P175 HydrophobicContact CB-CB 4.21Å; A144-F177 HydrophobicContact CB-CD1 4.34Å; A144-F177 HydrophobicContact CB-CE1 3.68Å
145E97.4Very high94.5Very high2 Ų231.8 Ų31.81%0.00916%0.159CC..EExtended strand (participates in β ladder)trans-133.4137.4-175.3-55.7174111.600111.7R120 Y127 S128 L143 F147 Y153 G154 R156R120-E145 IonicContact CZ-OE1 2.8Å; R120-E145 IonicContact CZ-OE2 2.97Å; R120-E145 IonicContact NE-OE1 2.88Å; R120-E145 PolarHBondContact NE-OE1 2.75Å; R120-E145 IonicContact NE-OE2 3.03Å; R120-E145 IonicContact NH2-OE1 3.8Å; R120-E145 PolarHBondContact NH2-OE1 2.82Å; R120-E145 IonicContact NH2-OE2 3.93Å; R120-E145 PolarHBondContact NH2-OE2 3.34Å; Y127-E145 HydrophobicContact CE2-CB 4.03Å; Y127-E145 HydrophobicContact CE2-CG 3.98Å; Y127-E145 VanDerWaalsContact CE2-OE1 3.25Å; Y127-E145 WeakPolarHBondContact CE2-OE1 3.47Å; Y127-E145 PolarHBondContact OH-OE1 2.93Å; S128-E145 WeakPolarHBondContact O-CA 3.33Å; L143-E145 HydrophobicContact CD1-CG 4.5Å; L143-E145 HydrophobicContact CD2-CG 3.79Å; L143-E145 WeakPolarHBondContact CD2-OE1 3.34Å; L143-E145 HydrophobicContact CG-CG 3.7Å; E145-F147 HydrophobicContact CB-CD2 4.21Å; E145-F147 HydrophobicContact CB-CE2 3.52Å; E145-F147 HydrophobicContact CB-CZ 4.08Å; E145-F147 HydrophobicContact CG-CE2 4.4Å; E145-Y153 VanDerWaalsContact C-CD1 3.48Å; E145-Y153 CarbonylContact O-C 3.48Å; E145-Y153 WeakPolarHBondContact O-CA 3.33Å; E145-G154 PolarHBondContact N-O 3.05Å; E145-G154 PolarHBondContact O-N 2.89Å; E145-R156 IonicContact OE2-CZ 3.56Å; E145-R156 IonicContact OE2-NH1 3.48Å; E145-R156 PolarHBondContact OE2-NH1 2.9Å
146D95.4Very high94.5Very high3 Ų334.8 Ų34.82%0.01617%0.171CC..EExtended strand (participates in β ladder)trans-114.2126.1170.4178.69.6000108.9F126 S128 L148 S149 R150 R151 Y153F126-D146 HydrophobicContact CE1-CB 4.27Å; F126-D146 WeakPolarHBondContact CE1-O 3.42Å; S128-D146 PolarHBondContact N-O 3.37Å; S128-D146 PolarHBondContact O-N 2.9Å; D146-L148 WeakPolarHBondContact OD1-CA 3.34Å; D146-L148 PolarHBondContact OD1-N 3.49Å; D146-S149 PolarHBondContact OD1-N 3.11Å; D146-S149 VanDerWaalsContact OD1-N 3.11Å; D146-S149 WeakPolarHBondContact OD2-CA 3.28Å; D146-S149 PolarHBondContact OD2-N 3.18Å; D146-R150 PolarHBondContact OD2-N 3.06Å; D146-R150 VanDerWaalsContact OD2-N 3.12Å; D146-R151 WeakPolarHBondContact OD2-CA 3.38Å; D146-R151 PolarHBondContact OD2-N 2.98Å; D146-Y153 HydrophobicContact CB-CD1 3.77Å; D146-Y153 HydrophobicContact CB-CE1 3.68Å; D146-Y153 HydrophobicContact CB-CG 4.31Å
147F93.2Very high94.6Very high57 Ų5732.7 Ų32.725%0.2516%0.157CC..SBendtrans-111.51.8179.1-65.7-87.4000112.7S124 F126 Y127 E145S124-F147 VanDerWaalsContact OG-CD1 3.28Å; S124-F147 WeakPolarHBondContact OG-CD1 3.34Å; F126-F147 WeakPolarHBondContact O-CA 3.43Å; Y127-F147 AromaticContact CD2-CD1 3.76Å; Y127-F147 HydrophobicContact CD2-CD1 3.76Å; Y127-F147 AromaticContact CD2-CE1 3.32Å; Y127-F147 HydrophobicContact CD2-CE1 3.32Å; Y127-F147 AromaticContact CD2-CZ 3.76Å; Y127-F147 HydrophobicContact CD2-CZ 3.76Å; Y127-F147 HydrophobicContact CE2-CD1 4.46Å; Y127-F147 AromaticContact CE2-CE1 3.67Å; Y127-F147 HydrophobicContact CE2-CE1 3.67Å; Y127-F147 HydrophobicContact CE2-CE2 4.38Å; Y127-F147 AromaticContact CE2-CZ 3.61Å; Y127-F147 HydrophobicContact CE2-CZ 3.61Å; Y127-F147 HydrophobicContact CG-CE1 4.48Å; E145-F147 HydrophobicContact CB-CD2 4.21Å; E145-F147 HydrophobicContact CB-CE2 3.52Å; E145-F147 HydrophobicContact CB-CZ 4.08Å; E145-F147 HydrophobicContact CG-CE2 4.4Å
148L86.5Confident94.6Very high120 Ų12031.8 Ų31.863%0.62815%0.148SC*.SBendtrans-121.8-3.1-171-59.3178.2000113.3D146 R150D146-L148 WeakPolarHBondContact OD1-CA 3.34Å; D146-L148 PolarHBondContact OD1-N 3.49Å; L148-R150 HydrophobicContact CB-CG 4.46Å; L148-R150 PolarHBondContact O-N 3.29Å; L148-R150 VanDerWaalsContact O-N 3.17Å
149S86Confident94.6Very high56 Ų5631.8 Ų31.839%0.39215%0.148SC..SBendtrans59.722.3-177.3-169.20000114D146D146-S149 PolarHBondContact OD1-N 3.11Å; D146-S149 VanDerWaalsContact OD1-N 3.11Å; D146-S149 WeakPolarHBondContact OD2-CA 3.28Å; D146-S149 PolarHBondContact OD2-N 3.18Å
150R82.5Confident94.6Very high92 Ų9231.3 Ų31.335%0.34714%0.144SC..SBendtrans-100.62.6-179.9-69.4-170.667.7-159.5-3113D146 L148 Q152D146-R150 PolarHBondContact OD2-N 3.06Å; D146-R150 VanDerWaalsContact OD2-N 3.12Å; L148-R150 HydrophobicContact CB-CG 4.46Å; L148-R150 PolarHBondContact O-N 3.29Å; L148-R150 VanDerWaalsContact O-N 3.17Å; R150-Q152 HydrophobicContact CB-CG 4.33Å; R150-Q152 VanDerWaalsContact CZ-NE2 3.29Å; R150-Q152 PolarHBondContact O-N 3.5Å
151R86.2Confident94.4Very high88 Ų8838.3 Ų38.333%0.33218%0.177SC..SBendtrans54.834.4-172.7-58.3178.8-73.9174-6.4111.8D146 Y153 K191 S618 Q619D146-R151 WeakPolarHBondContact OD2-CA 3.38Å; D146-R151 PolarHBondContact OD2-N 2.98Å; R151-Y153 HydrophobicContact CB-CE2 4.34Å; R151-K191 WeakPolarHBondContact O-CE 3.49Å; R151-K191 PolarHBondContact O-NZ 3.3Å; R151-S618 PolarHBondContact NE-OG 3.15Å; R151-S618 PolarHBondContact NH2-OG 3.31Å; R151-Q619 VanDerWaalsContact NH1-CD 3.27Å; R151-Q619 VanDerWaalsContact NH2-CG 3.33Å
152Q89.4Confident94.3Very high33 Ų3342.3 Ų42.315%0.15420%0.201CC..  trans-109.2104.1169.9-67.8174.4103.700105.5R150 N172 K191 L196R150-Q152 HydrophobicContact CB-CG 4.33Å; R150-Q152 VanDerWaalsContact CZ-NE2 3.29Å; R150-Q152 PolarHBondContact O-N 3.5Å; Q152-N172 WeakPolarHBondContact CG-OD1 3.27Å; Q152-N172 PolarHBondContact OE1-OD1 2.91Å; Q152-N172 VanDerWaalsContact OE1-OD1 3.06Å; Q152-K191 HydrophobicContact CG-CD 4.48Å; Q152-L196 HydrophobicContact CG-CD2 4.06Å
153Y96.5Very high94.1Very high25 Ų2543.5 Ų43.510%0.09821%0.213CC..EExtended strand (participates in β ladder)trans-88.7154.1-174.9-65.8-94.1000110.3A144 E145 D146 R151 N172 V173 P175A144-Y153 HydrophobicContact CB-CD1 4.22Å; A144-Y153 HydrophobicContact CB-CG 4.41Å; E145-Y153 VanDerWaalsContact C-CD1 3.48Å; E145-Y153 CarbonylContact O-C 3.48Å; E145-Y153 WeakPolarHBondContact O-CA 3.33Å; D146-Y153 HydrophobicContact CB-CD1 3.77Å; D146-Y153 HydrophobicContact CB-CE1 3.68Å; D146-Y153 HydrophobicContact CB-CG 4.31Å; R151-Y153 HydrophobicContact CB-CE2 4.34Å; Y153-N172 PolarHBondContact O-N 3.16Å; Y153-V173 PolarHBondContact N-O 3.38Å; Y153-V173 VanDerWaalsContact O-CG2 3.26Å; Y153-V173 WeakPolarHBondContact O-CG2 3.16Å; Y153-V173 PolarHBondContact O-N 2.93Å; Y153-P175 HydrophobicContact CD1-CB 4.32Å; Y153-P175 HydrophobicContact CD2-CB 3.99Å; Y153-P175 HydrophobicContact CD2-CG 4.03Å; Y153-P175 HydrophobicContact CE1-CB 4.36Å; Y153-P175 HydrophobicContact CE2-CB 3.98Å; Y153-P175 HydrophobicContact CE2-CG 3.72Å; Y153-P175 HydrophobicContact CG-CB 4.16Å
154G97.5Very high94.1Very high6 Ų648.6 Ų48.66%0.06224%0.24CC..EExtended strand (participates in β ladder)trans-109.8129.7161.200000110.3A144 E145 L170A144-G154 WeakPolarHBondContact CA-O 3.31Å; E145-G154 PolarHBondContact N-O 3.05Å; E145-G154 PolarHBondContact O-N 2.89Å; G154-L170 CarbonylContact C-O 3.51Å; G154-L170 VanDerWaalsContact CA-O 3.26Å; G154-L170 WeakPolarHBondContact CA-O 3.31Å
155I98.2Very high94Very high0 Ų053.1 Ų53.10%026%0.258CS..EExtended strand (participates in β ladder)trans-95.5128.3175-63.7166.5000110.4A142 L143 A144 F157 L170 V173 F177 F186A142-I155 HydrophobicContact CB-CG2 4.4Å; L143-I155 CarbonylContact O-C 3.58Å; L143-I155 VanDerWaalsContact O-CA 3.28Å; L143-I155 WeakPolarHBondContact O-CA 3.42Å; A144-I155 HydrophobicContact CB-CG1 3.88Å; I155-F157 HydrophobicContact CG2-CE1 3.91Å; I155-F157 HydrophobicContact CG2-CE2 4.32Å; I155-F157 HydrophobicContact CG2-CZ 3.75Å; I155-L170 HydrophobicContact CB-CB 4.15Å; I155-L170 HydrophobicContact CB-CD1 4.36Å; I155-L170 HydrophobicContact CB-CG 4.47Å; I155-L170 HydrophobicContact CG2-CD1 4.44Å; I155-L170 PolarHBondContact N-O 3.23Å; I155-L170 PolarHBondContact O-N 2.86Å; I155-V173 HydrophobicContact CD1-CG2 3.67Å; I155-V173 HydrophobicContact CG1-CG2 3.7Å; I155-F177 HydrophobicContact CD1-CB 4.14Å; I155-F177 HydrophobicContact CD1-CD1 3.71Å; I155-F177 HydrophobicContact CD1-CE1 4.45Å; I155-F177 HydrophobicContact CD1-CG 4.15Å; I155-F177 HydrophobicContact CG1-CD1 4.29Å; I155-F186 HydrophobicContact CD1-CE1 3.92Å; I155-F186 HydrophobicContact CD1-CZ 4.11Å; I155-F186 HydrophobicContact CG2-CE1 3.99Å; I155-F186 HydrophobicContact CG2-CZ 3.91Å
156R97.8Very high94Very high64 Ų6455.6 Ų55.624%0.24227%0.267CS..EExtended strand (participates in β ladder)trans-121.3154.6173.8-64.5179.4-17977.411.5110.8A142 L143 E145 W165 L169A142-R156 WeakPolarHBondContact CA-O 3.42Å; L143-R156 PolarHBondContact N-O 3.01Å; L143-R156 PolarHBondContact O-N 2.97Å; E145-R156 IonicContact OE2-CZ 3.56Å; E145-R156 IonicContact OE2-NH1 3.48Å; E145-R156 PolarHBondContact OE2-NH1 2.9Å; R156-W165 HydrophobicContact CB-CE3 3.82Å; R156-W165 HydrophobicContact CB-CZ3 3.67Å; R156-L169 HydrophobicContact CG-CD1 3.75Å
157F98.2Very high94Very high0 Ų061.3 Ų61.30%031%0.305CS..EExtended strand (participates in β ladder)trans-118.2142.6179-50.6-81000111.7I140 M141 A142 I155 W165 Y166 E168 L170 W179 F186 H204 I206I140-F157 HydrophobicContact CG2-CB 4.21Å; M141-F157 CarbonylContact O-C 3.55Å; M141-F157 VanDerWaalsContact O-CA 3.28Å; M141-F157 WeakPolarHBondContact O-CA 3.38Å; A142-F157 HydrophobicContact CB-CD1 3.73Å; A142-F157 HydrophobicContact CB-CE1 3.73Å; I155-F157 HydrophobicContact CG2-CE1 3.91Å; I155-F157 HydrophobicContact CG2-CE2 4.32Å; I155-F157 HydrophobicContact CG2-CZ 3.75Å; F157-W165 WeakPolarHBondContact O-CA 3.47Å; F157-W165 VanDerWaalsContact O-CE3 3.25Å; F157-Y166 HydrophobicContact CB-CD2 3.71Å; F157-Y166 HydrophobicContact CB-CE2 4.49Å; F157-Y166 HydrophobicContact CB-CG 4.14Å; F157-Y166 PolarHBondContact O-N 3.14Å; F157-E168 HydrophobicContact CD2-CG 3.93Å; F157-E168 HydrophobicContact CE2-CG 4.09Å; F157-L170 HydrophobicContact CE2-CD1 4.02Å; F157-L170 HydrophobicContact CE2-CG 4.21Å; F157-L170 HydrophobicContact CZ-CD1 3.78Å; F157-L170 HydrophobicContact CZ-CG 4.43Å; F157-W179 AromaticContact CD1-CH2 3.75Å; F157-W179 HydrophobicContact CD1-CH2 3.75Å; F157-W179 AromaticContact CD1-CZ2 3.93Å; F157-W179 HydrophobicContact CD1-CZ2 3.93Å; F157-W179 AromaticContact CE1-CH2 3.87Å; F157-W179 HydrophobicContact CE1-CH2 3.87Å; F157-W179 HydrophobicContact CE1-CZ2 4.1Å; F157-F186 AromaticContact CE1-CD1 3.96Å; F157-F186 HydrophobicContact CE1-CD1 3.96Å; F157-F186 AromaticContact CE1-CD2 3.92Å; F157-F186 HydrophobicContact CE1-CD2 3.92Å; F157-F186 AromaticContact CE1-CE1 3.9Å; F157-F186 HydrophobicContact CE1-CE1 3.9Å; F157-F186 AromaticContact CE1-CE2 3.85Å; F157-F186 HydrophobicContact CE1-CE2 3.85Å; F157-F186 AromaticContact CE1-CG 3.94Å; F157-F186 HydrophobicContact CE1-CG 3.94Å; F157-F186 AromaticContact CE1-CZ 3.81Å; F157-F186 HydrophobicContact CE1-CZ 3.81Å; F157-F186 AromaticContact CZ-CD1 3.71Å; F157-F186 HydrophobicContact CZ-CD1 3.71Å; F157-F186 HydrophobicContact CZ-CD2 4.49Å; F157-F186 AromaticContact CZ-CE1 3.76Å; F157-F186 HydrophobicContact CZ-CE1 3.76Å; F157-F186 HydrophobicContact CZ-CG 4.06Å; F157-F186 HydrophobicContact CZ-CZ 4.15Å; F157-H204 AromaticContact CE2-CD2 3.7Å; F157-H204 AromaticContact CE2-NE2 3.68Å; F157-H204 AromaticContact CZ-CD2 3.82Å; F157-I206 HydrophobicContact CB-CD1 4.38Å; F157-I206 HydrophobicContact CD1-CD1 3.43Å; F157-I206 VanDerWaalsContact CD1-CD1 3.43Å; F157-I206 HydrophobicContact CD2-CD1 3.77Å; F157-I206 HydrophobicContact CE1-CD1 3.46Å; F157-I206 VanDerWaalsContact CE1-CD1 3.46Å; F157-I206 HydrophobicContact CE2-CD1 3.81Å; F157-I206 HydrophobicContact CG-CD1 3.58Å; F157-I206 HydrophobicContact CZ-CD1 3.66Å
158R97.5Very high94.2Very high61 Ų6159.3 Ų59.323%0.2330%0.296CS..EExtended strand (participates in β ladder)trans-130.3127.8177.5-168.6-176.4-177.2-156.8-7.2110.3L114 I140 M141 L160 G163 N164 W165L114-R158 PolarHBondContact O-NH1 2.65Å; I140-R158 CarbonylContact C-O 3.57Å; I140-R158 WeakPolarHBondContact CA-O 3.33Å; M141-R158 HydrophobicContact CE-CB 4.11Å; M141-R158 PolarHBondContact N-O 2.88Å; M141-R158 PolarHBondContact O-N 3.15Å; R158-L160 PolarHBondContact O-N 2.72Å; R158-G163 PolarHBondContact NE-O 2.81Å; R158-N164 WeakPolarHBondContact CA-O 3.32Å; R158-W165 HydrophobicContact CB-CD2 3.94Å; R158-W165 HydrophobicContact CB-CE3 3.8Å; R158-W165 HydrophobicContact CB-CH2 4.15Å; R158-W165 HydrophobicContact CB-CZ2 4.29Å; R158-W165 HydrophobicContact CB-CZ3 3.91Å; R158-W165 HydrophobicContact CG-CD2 4.06Å; R158-W165 HydrophobicContact CG-CE3 4.44Å; R158-W165 HydrophobicContact CG-CG 4.39Å; R158-W165 HydrophobicContact CG-CZ2 4.35Å
159N97.5Very high94.7Very high27 Ų2756.9 Ų56.914%0.14428%0.283CS..EExtended strand (participates in β ladder)trans-76121.6168.7179.9-70.1000108.7E161 T162 G163 N164 Y166N159-E161 PolarHBondContact OD1-N 2.84Å; N159-E161 VanDerWaalsContact OD1-N 3.09Å; N159-T162 WeakPolarHBondContact CB-OG1 3.44Å; N159-T162 PolarHBondContact OD1-N 2.8Å; N159-T162 PolarHBondContact OD1-OG1 2.92Å; N159-G163 CarbonylContact O-C 3.53Å; N159-G163 VanDerWaalsContact O-CA 3.22Å; N159-G163 WeakPolarHBondContact O-CA 3.42Å; N159-G163 PolarHBondContact O-N 3.33Å; N159-N164 PolarHBondContact N-O 2.57Å; N159-Y166 HydrophobicContact CB-CE2 3.81Å
160L96.8Very high95.3Very high16 Ų1654.3 Ų54.38%0.08427%0.265CS..THydrogen-bonded Turntrans-79.7-20.8-172.6-64176.5000113R100 L114 I134 T139 M141 R158R100-L160 VanDerWaalsContact NH1-CD1 3.33Å; L114-L160 HydrophobicContact CD2-CD1 4.09Å; L114-L160 HydrophobicContact CD2-CD2 3.77Å; I134-L160 HydrophobicContact CD1-CD1 4.14Å; I134-L160 HydrophobicContact CG1-CD1 4.18Å; I134-L160 HydrophobicContact CG2-CD1 4.05Å; T139-L160 WeakPolarHBondContact O-CB 3.49Å; T139-L160 PolarHBondContact O-N 3.25Å; M141-L160 HydrophobicContact CB-CD1 4.17Å; M141-L160 HydrophobicContact CB-CD2 3.84Å; M141-L160 HydrophobicContact CB-CG 4.15Å; R158-L160 PolarHBondContact O-N 2.72Å
161E94.3Very high95.9Very high155 Ų15554.8 Ų54.872%0.72427%0.274SS*.THydrogen-bonded Turntrans-79.1-45.3176.8-59.9-177.516200111.7N159N159-E161 PolarHBondContact OD1-N 2.84Å; N159-E161 VanDerWaalsContact OD1-N 3.09Å
162T95.5Very high96.3Very high84 Ų8451.6 Ų51.652%0.51526%0.264SS..THydrogen-bonded Turntrans-89.6-19.1-178.163.40000113N159 N164N159-T162 WeakPolarHBondContact CB-OG1 3.44Å; N159-T162 PolarHBondContact OD1-N 2.8Å; N159-T162 PolarHBondContact OD1-OG1 2.92Å; T162-N164 PolarHBondContact O-N 3.46Å; T162-N164 PolarHBondContact OG1-N 2.79Å
163G94.6Very high96.7Very high24 Ų2450 Ų5025%0.24726%0.257CS..  trans75.6-3.4-173.500000114.8R158 N159R158-G163 PolarHBondContact NE-O 2.81Å; N159-G163 CarbonylContact O-C 3.53Å; N159-G163 VanDerWaalsContact O-CA 3.22Å; N159-G163 WeakPolarHBondContact O-CA 3.42Å; N159-G163 PolarHBondContact O-N 3.33Å
164N96.6Very high96.6Very high107 Ų10750.6 Ų50.657%0.57226%0.26SS*.PPolyproline II helixtrans-76.5144.8-176.5-68.2-34.1000112.2R158 N159 T162R158-N164 WeakPolarHBondContact CA-O 3.32Å; N159-N164 PolarHBondContact N-O 2.57Å; T162-N164 PolarHBondContact O-N 3.46Å; T162-N164 PolarHBondContact OG1-N 2.79Å
165W96.9Very high96.5Very high95 Ų9551.9 Ų51.936%0.3627%0.268SS..BIsolated β-bridgetrans-87.5141.7170-67.786.7000110.2M141 L143 R156 F157 R158M141-W165 HydrophobicContact CE-CH2 3.95Å; L143-W165 HydrophobicContact CD2-CH2 3.84Å; L143-W165 HydrophobicContact CD2-CZ3 4.47Å; R156-W165 HydrophobicContact CB-CE3 3.82Å; R156-W165 HydrophobicContact CB-CZ3 3.67Å; F157-W165 WeakPolarHBondContact O-CA 3.47Å; F157-W165 VanDerWaalsContact O-CE3 3.25Å; R158-W165 HydrophobicContact CB-CD2 3.94Å; R158-W165 HydrophobicContact CB-CE3 3.8Å; R158-W165 HydrophobicContact CB-CH2 4.15Å; R158-W165 HydrophobicContact CB-CZ2 4.29Å; R158-W165 HydrophobicContact CB-CZ3 3.91Å; R158-W165 HydrophobicContact CG-CD2 4.06Å; R158-W165 HydrophobicContact CG-CE3 4.44Å; R158-W165 HydrophobicContact CG-CG 4.39Å; R158-W165 HydrophobicContact CG-CZ2 4.35Å
166Y97.4Very high96.1Very high55 Ų5553.5 Ų53.522%0.21628%0.279CS..PPolyproline II helixtrans-72.3149.5169.9-70.7-99.4000110I140 F157 N159 E168 I206I140-Y166 HydrophobicContact CG1-CE2 4.27Å; I140-Y166 HydrophobicContact CG2-CE2 4.23Å; F157-Y166 HydrophobicContact CB-CD2 3.71Å; F157-Y166 HydrophobicContact CB-CE2 4.49Å; F157-Y166 HydrophobicContact CB-CG 4.14Å; F157-Y166 PolarHBondContact O-N 3.14Å; N159-Y166 HydrophobicContact CB-CE2 3.81Å; Y166-E168 VanDerWaalsContact C-N 3.33Å; Y166-E168 VanDerWaalsContact CB-OE1 3.31Å; Y166-E168 WeakPolarHBondContact CB-OE1 2.96Å; Y166-E168 WeakPolarHBondContact CB-OE2 3.19Å; Y166-E168 PolarHBondContact O-N 3.23Å; Y166-I206 HydrophobicContact CD1-CG2 3.66Å; Y166-I206 HydrophobicContact CD2-CG2 4.35Å; Y166-I206 HydrophobicContact CE1-CG2 3.39Å; Y166-I206 HydrophobicContact CE2-CG2 4.1Å; Y166-I206 HydrophobicContact CG-CG2 4.14Å
167P95.8Very high96Very high123 Ų12351.5 Ų51.580%0.79927%0.272SS*.SBendtrans-72.3-23.7-17328.7-36.2000114.1
168E96.9Very high96Very high14 Ų1452 Ų527%0.06528%0.275CS..  trans-73.5151.3-177.465.7-85.3-169.900113.8F157 Y166 H204 G207F157-E168 HydrophobicContact CD2-CG 3.93Å; F157-E168 HydrophobicContact CE2-CG 4.09Å; Y166-E168 VanDerWaalsContact C-N 3.33Å; Y166-E168 VanDerWaalsContact CB-OE1 3.31Å; Y166-E168 WeakPolarHBondContact CB-OE1 2.96Å; Y166-E168 WeakPolarHBondContact CB-OE2 3.19Å; Y166-E168 PolarHBondContact O-N 3.23Å; E168-H204 IonicContact OE1-NE2 2.61Å; E168-G207 WeakPolarHBondContact OE1-CA 2.91Å; E168-G207 PolarHBondContact OE1-N 2.92Å
169L96.8Very high96Very high69 Ų6949.7 Ų49.736%0.36127%0.266SS..  trans-134.4123.9173.1172.965.7000107.9R156 D171R156-L169 HydrophobicContact CG-CD1 3.75Å; L169-D171 HydrophobicContact CG-CB 4.48Å
170L97.7Very high95.9Very high2 Ų248.5 Ų48.51%0.0126%0.26CS..EExtended strand (participates in β ladder)trans-93.2106171.7-45.6178.1000108G154 I155 F157 V173 F186 Y188 H204 A210G154-L170 CarbonylContact C-O 3.51Å; G154-L170 VanDerWaalsContact CA-O 3.26Å; G154-L170 WeakPolarHBondContact CA-O 3.31Å; I155-L170 HydrophobicContact CB-CB 4.15Å; I155-L170 HydrophobicContact CB-CD1 4.36Å; I155-L170 HydrophobicContact CB-CG 4.47Å; I155-L170 HydrophobicContact CG2-CD1 4.44Å; I155-L170 PolarHBondContact N-O 3.23Å; I155-L170 PolarHBondContact O-N 2.86Å; F157-L170 HydrophobicContact CE2-CD1 4.02Å; F157-L170 HydrophobicContact CE2-CG 4.21Å; F157-L170 HydrophobicContact CZ-CD1 3.78Å; F157-L170 HydrophobicContact CZ-CG 4.43Å; L170-V173 HydrophobicContact CB-CG1 4.39Å; L170-F186 HydrophobicContact CD1-CD1 4.01Å; L170-F186 HydrophobicContact CD1-CE1 3.95Å; L170-Y188 HydrophobicContact CB-CE2 4.41Å; L170-Y188 HydrophobicContact CD1-CD1 3.62Å; L170-Y188 HydrophobicContact CD1-CE1 3.72Å; L170-Y188 HydrophobicContact CD1-CG 4.04Å; L170-Y188 HydrophobicContact CD2-CE1 4.35Å; L170-Y188 HydrophobicContact CG-CE1 4.5Å; L170-H204 HydrophobicContact CD1-CB 4.25Å; L170-A210 HydrophobicContact CD2-CB 3.73Å
171D95.5Very high95.9Very high102 Ų10249.2 Ų49.255%0.54526%0.264SS..EExtended strand (participates in β ladder)trans-101.3155.8-170.8-167.124.7000113.2L169L169-D171 HydrophobicContact CG-CB 4.48Å
172N95.9Very high96Very high22 Ų2245.1 Ų45.112%0.11825%0.247CC..EExtended strand (participates in β ladder)trans5456-176.4-170.732.6000113.5Q152 Y153 K191Q152-N172 WeakPolarHBondContact CG-OD1 3.27Å; Q152-N172 PolarHBondContact OE1-OD1 2.91Å; Q152-N172 VanDerWaalsContact OE1-OD1 3.06Å; Y153-N172 PolarHBondContact O-N 3.16Å; N172-K191 PolarHBondContact ND2-O 3.41Å; N172-K191 PolarHBondContact O-N 3.05Å
173V97Very high96Very high0 Ų041.6 Ų41.60%023%0.226CC..EExtended strand (participates in β ladder)trans-118.5162.6-177.4-58.20000112.3Y153 I155 L170 Y188 V189 K191Y153-V173 PolarHBondContact N-O 3.38Å; Y153-V173 VanDerWaalsContact O-CG2 3.26Å; Y153-V173 WeakPolarHBondContact O-CG2 3.16Å; Y153-V173 PolarHBondContact O-N 2.93Å; I155-V173 HydrophobicContact CD1-CG2 3.67Å; I155-V173 HydrophobicContact CG1-CG2 3.7Å; L170-V173 HydrophobicContact CB-CG1 4.39Å; V173-Y188 HydrophobicContact CB-CD2 4.16Å; V173-Y188 HydrophobicContact CG1-CD2 3.4Å; V173-Y188 HydrophobicContact CG1-CE2 3.55Å; V173-V189 CarbonylContact C-O 3.59Å; V173-V189 VanDerWaalsContact CA-O 3.26Å; V173-V189 WeakPolarHBondContact CA-O 3.31Å; V173-V189 VanDerWaalsContact CB-O 3.26Å; V173-V189 WeakPolarHBondContact CB-O 3.44Å; V173-K191 WeakPolarHBondContact O-CE 3.29Å
174E95.2Very high96Very high36 Ų3646.5 Ų46.517%0.16824%0.237CC..EExtended strand (participates in β ladder)trans-71.5157.8161.6-73.1-64.6163.800110.7S176 V189 K191 P198E174-S176 PolarHBondContact O-N 3.04Å; E174-V189 HydrophobicContact CB-CB 4.14Å; E174-V189 HydrophobicContact CG-CB 4.26Å; E174-V189 HydrophobicContact CG-CG1 4.25Å; E174-V189 PolarHBondContact N-O 3.07Å; E174-K191 HydrophobicContact CG-CG 4.37Å; E174-K191 WeakPolarHBondContact OE1-CE 3.48Å; E174-K191 IonicContact OE1-NZ 3.09Å; E174-K191 PolarHBondContact OE1-NZ 2.92Å; E174-K191 VanDerWaalsContact OE2-CE 3.31Å; E174-K191 WeakPolarHBondContact OE2-CE 3.17Å; E174-K191 IonicContact OE2-NZ 2.8Å; E174-K191 PolarHBondContact OE2-NZ 3.46Å; E174-P198 HydrophobicContact CG-CB 3.58Å; E174-P198 HydrophobicContact CG-CG 4.29Å
175P94.1Very high96Very high34 Ų3441.8 Ų41.822%0.22121%0.212CC..EExtended strand (participates in β ladder)trans-76-2.417333.9-33.4000112.8A144 Y153 F177A144-P175 HydrophobicContact CB-CB 4.21Å; Y153-P175 HydrophobicContact CD1-CB 4.32Å; Y153-P175 HydrophobicContact CD2-CB 3.99Å; Y153-P175 HydrophobicContact CD2-CG 4.03Å; Y153-P175 HydrophobicContact CE1-CB 4.36Å; Y153-P175 HydrophobicContact CE2-CB 3.98Å; Y153-P175 HydrophobicContact CE2-CG 3.72Å; Y153-P175 HydrophobicContact CG-CB 4.16Å; P175-F177 WeakPolarHBondContact O-CD1 3.38Å; P175-F177 WeakPolarHBondContact O-CE1 3.37Å
176S89.8Confident96Very high33 Ų3337.2 Ų37.223%0.23120%0.195CC..EExtended strand (participates in β ladder)trans-85.3123.2175.7710000111.4E174E174-S176 PolarHBondContact O-N 3.04Å
177F96.9Very high96Very high23 Ų2334.6 Ų34.610%0.10119%0.185CC..EExtended strand (participates in β ladder)trans-155.5158.5-178.653.8-99000111.3A133 A142 A144 I155 P175 F186 Y187A133-F177 HydrophobicContact CB-CD2 4.27Å; A133-F177 HydrophobicContact CB-CE2 3.54Å; A133-F177 HydrophobicContact CB-CZ 4.42Å; A142-F177 HydrophobicContact CB-CD2 4.3Å; A142-F177 HydrophobicContact CB-CE2 3.75Å; A142-F177 HydrophobicContact CB-CZ 4.28Å; A144-F177 HydrophobicContact CB-CD1 4.34Å; A144-F177 HydrophobicContact CB-CE1 3.68Å; I155-F177 HydrophobicContact CD1-CB 4.14Å; I155-F177 HydrophobicContact CD1-CD1 3.71Å; I155-F177 HydrophobicContact CD1-CE1 4.45Å; I155-F177 HydrophobicContact CD1-CG 4.15Å; I155-F177 HydrophobicContact CG1-CD1 4.29Å; P175-F177 WeakPolarHBondContact O-CD1 3.38Å; P175-F177 WeakPolarHBondContact O-CE1 3.37Å; F177-F186 HydrophobicContact CB-CE1 3.84Å; F177-F186 HydrophobicContact CB-CE2 3.95Å; F177-F186 HydrophobicContact CB-CZ 3.32Å; F177-F186 HydrophobicContact CD1-CZ 4.26Å; F177-F186 AromaticContact CD2-CE2 3.4Å; F177-F186 HydrophobicContact CD2-CE2 3.4Å; F177-F186 AromaticContact CD2-CZ 3.34Å; F177-F186 HydrophobicContact CD2-CZ 3.34Å; F177-F186 HydrophobicContact CE2-CE2 4.14Å; F177-F186 HydrophobicContact CE2-CZ 4.15Å; F177-F186 HydrophobicContact CG-CE1 4.31Å; F177-F186 AromaticContact CG-CE2 3.93Å; F177-F186 HydrophobicContact CG-CE2 3.93Å; F177-F186 AromaticContact CG-CZ 3.38Å; F177-F186 HydrophobicContact CG-CZ 3.38Å; F177-Y187 CarbonylContact C-O 3.55Å; F177-Y187 VanDerWaalsContact CA-O 3.26Å; F177-Y187 WeakPolarHBondContact CA-O 3.21Å; F177-Y187 WeakPolarHBondContact CB-O 3.39Å
178V97.1Very high96.1Very high11 Ų1129.2 Ų29.27%0.06715%0.148CC..EExtended strand (participates in β ladder)trans-142.1132.9-173.6179.50000111.5Y187 L228 K230 V237V178-Y187 PolarHBondContact N-O 3.49Å; V178-Y187 PolarHBondContact O-N 3.03Å; V178-L228 HydrophobicContact CG2-CB 3.95Å; V178-K230 HydrophobicContact CG1-CB 3.85Å; V178-K230 HydrophobicContact CG1-CD 3.93Å; V178-K230 HydrophobicContact CG1-CG 4.1Å; V178-V237 HydrophobicContact CB-CG1 4.01Å; V178-V237 HydrophobicContact CG1-CB 4.36Å; V178-V237 HydrophobicContact CG1-CG1 3.94Å; V178-V237 HydrophobicContact CG1-CG2 3.68Å; V178-V237 HydrophobicContact CG2-CG1 4.26Å
179W97.2Very high96.2Very high12 Ų1228.5 Ų28.55%0.04515%0.145CC..EExtended strand (participates in β ladder)trans-79.5136.7166.7-69.1112.7000111.4A133 T135 I140 A142 F157 F186 I206 K230A133-W179 PolarHBondContact O-NE1 3.24Å; T135-W179 HydrophobicContact CG2-CD2 3.53Å; T135-W179 HydrophobicContact CG2-CE3 3.6Å; T135-W179 HydrophobicContact CG2-CG 4.18Å; T135-W179 HydrophobicContact CG2-CH2 3.72Å; T135-W179 HydrophobicContact CG2-CZ2 3.66Å; T135-W179 HydrophobicContact CG2-CZ3 3.7Å; I140-W179 HydrophobicContact CB-CH2 4.47Å; I140-W179 HydrophobicContact CG2-CH2 3.85Å; I140-W179 HydrophobicContact CG2-CZ2 3.98Å; A142-W179 HydrophobicContact CB-CZ2 3.69Å; F157-W179 AromaticContact CD1-CH2 3.75Å; F157-W179 HydrophobicContact CD1-CH2 3.75Å; F157-W179 AromaticContact CD1-CZ2 3.93Å; F157-W179 HydrophobicContact CD1-CZ2 3.93Å; F157-W179 AromaticContact CE1-CH2 3.87Å; F157-W179 HydrophobicContact CE1-CH2 3.87Å; F157-W179 HydrophobicContact CE1-CZ2 4.1Å; W179-F186 AromaticContact CD2-CD2 3.63Å; W179-F186 HydrophobicContact CD2-CD2 3.63Å; W179-F186 HydrophobicContact CD2-CE2 4.18Å; W179-F186 AromaticContact CE2-CD2 3.78Å; W179-F186 AromaticContact CE2-CE2 3.94Å; W179-F186 HydrophobicContact CE3-CB 4.08Å; W179-F186 AromaticContact CE3-CD2 3.62Å; W179-F186 HydrophobicContact CE3-CD2 3.62Å; W179-F186 HydrophobicContact CE3-CG 4.35Å; W179-F186 HydrophobicContact CG-CD2 4.3Å; W179-F186 AromaticContact CH2-CD2 3.97Å; W179-F186 HydrophobicContact CH2-CD2 3.97Å; W179-F186 AromaticContact CZ2-CD2 3.96Å; W179-F186 HydrophobicContact CZ2-CD2 3.96Å; W179-F186 HydrophobicContact CZ2-CE2 4.16Å; W179-F186 HydrophobicContact CZ3-CB 3.93Å; W179-F186 AromaticContact CZ3-CD2 3.79Å; W179-F186 HydrophobicContact CZ3-CD2 3.79Å; W179-F186 HydrophobicContact CZ3-CG 4.28Å; W179-I206 HydrophobicContact CH2-CD1 3.42Å; W179-I206 VanDerWaalsContact CH2-CD1 3.42Å; W179-I206 HydrophobicContact CH2-CG1 3.72Å; W179-I206 HydrophobicContact CZ3-CD1 3.67Å; W179-I206 HydrophobicContact CZ3-CG1 3.58Å; W179-K230 PolarHBondContact O-NZ 3.3Å
180A96.8Very high96.2Very high1 Ų130 Ų301%0.00815%0.146CC..  trans-68.6174.9160.800000111.2P136 D182 T185 Y187P136-A180 WeakPolarHBondContact CG-O 3.33Å; A180-D182 VanDerWaalsContact C-N 3.34Å; A180-T185 HydrophobicContact CB-CG2 4.18Å; A180-T185 WeakPolarHBondContact CB-O 3.22Å; A180-T185 PolarHBondContact N-O 3.09Å; A180-Y187 HydrophobicContact CB-CE2 4.32Å
181N97Very high96.1Very high31 Ų3130.6 Ų30.617%0.16615%0.148CC..THydrogen-bonded Turntrans-78.5-18.3-178.1-70.7-20.3000113.7S183 K230 K234 A254 E255N181-S183 PolarHBondContact O-N 3.17Å; N181-K230 WeakPolarHBondContact OD1-CE 3.41Å; N181-K230 PolarHBondContact OD1-NZ 2.67Å; N181-K234 PolarHBondContact ND2-O 3.23Å; N181-K234 PolarHBondContact OD1-O 3.02Å; N181-A254 WeakPolarHBondContact CB-O 3.24Å; N181-A254 PolarHBondContact N-O 3.41Å; N181-E255 VanDerWaalsContact ND2-CD 3.28Å; N181-E255 PolarHBondContact ND2-OE1 3.37Å
182D95.8Very high95.9Very high69 Ų6928.7 Ų28.737%0.36914%0.136SC..THydrogen-bonded Turntrans-73.1-4.6177.967.42000114.5A180 W184 T185A180-D182 VanDerWaalsContact C-N 3.34Å; D182-W184 PolarHBondContact O-N 2.8Å; D182-W184 PolarHBondContact OD1-N 2.86Å; D182-T185 PolarHBondContact OD1-N 3Å; D182-T185 WeakPolarHBondContact OD2-CB 3.31Å; D182-T185 PolarHBondContact OD2-OG1 3.16Å
183S95.7Very high95.6Very high11 Ų1131.9 Ų31.98%0.07716%0.158CC..SBendtrans59.219-175.9-55.30000114.7P136 D137 N181P136-S183 WeakPolarHBondContact CD-OG 3.47Å; D137-S183 VanDerWaalsContact CG-CB 3.42Å; D137-S183 PolarHBondContact N-OG 3.41Å; D137-S183 VanDerWaalsContact N-OG 3.09Å; D137-S183 WeakPolarHBondContact OD1-CB 3.25Å; D137-S183 PolarHBondContact OD1-OG 3Å; N181-S183 PolarHBondContact O-N 3.17Å
184W93.7Very high94.9Very high126 Ų12637 Ų3748%0.47719%0.189SC..SBendtrans-130.1-36.6-175.4-179.2-99.7000112.8D182 I206D182-W184 PolarHBondContact O-N 2.8Å; D182-W184 PolarHBondContact OD1-N 2.86Å; W184-I206 HydrophobicContact CE3-CB 4.16Å; W184-I206 WeakPolarHBondContact CH2-O 3.46Å; W184-I206 WeakPolarHBondContact CZ2-O 3.38Å; W184-I206 HydrophobicContact CZ3-CB 4.19Å; W184-I206 WeakPolarHBondContact O-CG1 3.43Å; W184-I206 PolarHBondContact O-N 3.25Å
185T96.1Very high94.3Very high8 Ų836.5 Ų36.55%0.04919%0.189CC..EExtended strand (participates in β ladder)trans-89.9128.7-178.6-58.20000110.3A180 D182 Y187 R203A180-T185 HydrophobicContact CB-CG2 4.18Å; A180-T185 WeakPolarHBondContact CB-O 3.22Å; A180-T185 PolarHBondContact N-O 3.09Å; D182-T185 PolarHBondContact OD1-N 3Å; D182-T185 WeakPolarHBondContact OD2-CB 3.31Å; D182-T185 PolarHBondContact OD2-OG1 3.16Å; T185-Y187 HydrophobicContact CG2-CE2 3.84Å; T185-R203 HydrophobicContact CG2-CG 3.5Å
186F97Very high94Very high0 Ų036 Ų360%018%0.184CC..EExtended strand (participates in β ladder)trans-125133-176-173.3-101.8000111.1A142 I155 F157 L170 F177 W179 Y188 R203 H204 I206A142-F186 HydrophobicContact CB-CE2 3.64Å; A142-F186 HydrophobicContact CB-CZ 3.92Å; I155-F186 HydrophobicContact CD1-CE1 3.92Å; I155-F186 HydrophobicContact CD1-CZ 4.11Å; I155-F186 HydrophobicContact CG2-CE1 3.99Å; I155-F186 HydrophobicContact CG2-CZ 3.91Å; F157-F186 AromaticContact CE1-CD1 3.96Å; F157-F186 HydrophobicContact CE1-CD1 3.96Å; F157-F186 AromaticContact CE1-CD2 3.92Å; F157-F186 HydrophobicContact CE1-CD2 3.92Å; F157-F186 AromaticContact CE1-CE1 3.9Å; F157-F186 HydrophobicContact CE1-CE1 3.9Å; F157-F186 AromaticContact CE1-CE2 3.85Å; F157-F186 HydrophobicContact CE1-CE2 3.85Å; F157-F186 AromaticContact CE1-CG 3.94Å; F157-F186 HydrophobicContact CE1-CG 3.94Å; F157-F186 AromaticContact CE1-CZ 3.81Å; F157-F186 HydrophobicContact CE1-CZ 3.81Å; F157-F186 AromaticContact CZ-CD1 3.71Å; F157-F186 HydrophobicContact CZ-CD1 3.71Å; F157-F186 HydrophobicContact CZ-CD2 4.49Å; F157-F186 AromaticContact CZ-CE1 3.76Å; F157-F186 HydrophobicContact CZ-CE1 3.76Å; F157-F186 HydrophobicContact CZ-CG 4.06Å; F157-F186 HydrophobicContact CZ-CZ 4.15Å; L170-F186 HydrophobicContact CD1-CD1 4.01Å; L170-F186 HydrophobicContact CD1-CE1 3.95Å; F177-F186 HydrophobicContact CB-CE1 3.84Å; F177-F186 HydrophobicContact CB-CE2 3.95Å; F177-F186 HydrophobicContact CB-CZ 3.32Å; F177-F186 HydrophobicContact CD1-CZ 4.26Å; F177-F186 AromaticContact CD2-CE2 3.4Å; F177-F186 HydrophobicContact CD2-CE2 3.4Å; F177-F186 AromaticContact CD2-CZ 3.34Å; F177-F186 HydrophobicContact CD2-CZ 3.34Å; F177-F186 HydrophobicContact CE2-CE2 4.14Å; F177-F186 HydrophobicContact CE2-CZ 4.15Å; F177-F186 HydrophobicContact CG-CE1 4.31Å; F177-F186 AromaticContact CG-CE2 3.93Å; F177-F186 HydrophobicContact CG-CE2 3.93Å; F177-F186 AromaticContact CG-CZ 3.38Å; F177-F186 HydrophobicContact CG-CZ 3.38Å; W179-F186 AromaticContact CD2-CD2 3.63Å; W179-F186 HydrophobicContact CD2-CD2 3.63Å; W179-F186 HydrophobicContact CD2-CE2 4.18Å; W179-F186 AromaticContact CE2-CD2 3.78Å; W179-F186 AromaticContact CE2-CE2 3.94Å; W179-F186 HydrophobicContact CE3-CB 4.08Å; W179-F186 AromaticContact CE3-CD2 3.62Å; W179-F186 HydrophobicContact CE3-CD2 3.62Å; W179-F186 HydrophobicContact CE3-CG 4.35Å; W179-F186 HydrophobicContact CG-CD2 4.3Å; W179-F186 AromaticContact CH2-CD2 3.97Å; W179-F186 HydrophobicContact CH2-CD2 3.97Å; W179-F186 AromaticContact CZ2-CD2 3.96Å; W179-F186 HydrophobicContact CZ2-CD2 3.96Å; W179-F186 HydrophobicContact CZ2-CE2 4.16Å; W179-F186 HydrophobicContact CZ3-CB 3.93Å; W179-F186 AromaticContact CZ3-CD2 3.79Å; W179-F186 HydrophobicContact CZ3-CD2 3.79Å; W179-F186 HydrophobicContact CZ3-CG 4.28Å; F186-Y188 HydrophobicContact CD1-CD1 4.27Å; F186-R203 CarbonylContact O-C 3.6Å; F186-R203 WeakPolarHBondContact O-CA 3.34Å; F186-H204 HydrophobicContact CB-CB 4.3Å; F186-H204 HydrophobicContact CD1-CB 4.44Å; F186-H204 PolarHBondContact N-O 2.96Å; F186-H204 PolarHBondContact O-N 2.98Å; F186-I206 HydrophobicContact CB-CD1 4.49Å
187Y98.1Very high94.1Very high0 Ų035.3 Ų35.30%018%0.177CC..EExtended strand (participates in β ladder)trans-112.5135.5176.6-62.6-90000110.7F177 V178 A180 T185 V201 W202 R203 I216 V237 L252F177-Y187 CarbonylContact C-O 3.55Å; F177-Y187 VanDerWaalsContact CA-O 3.26Å; F177-Y187 WeakPolarHBondContact CA-O 3.21Å; F177-Y187 WeakPolarHBondContact CB-O 3.39Å; V178-Y187 PolarHBondContact N-O 3.49Å; V178-Y187 PolarHBondContact O-N 3.03Å; A180-Y187 HydrophobicContact CB-CE2 4.32Å; T185-Y187 HydrophobicContact CG2-CE2 3.84Å; Y187-V201 HydrophobicContact CD1-CG1 4.47Å; Y187-W202 VanDerWaalsContact CA-O 3.32Å; Y187-W202 WeakPolarHBondContact CA-O 3.28Å; Y187-R203 HydrophobicContact CD1-CB 4.09Å; Y187-R203 HydrophobicContact CD1-CG 4.27Å; Y187-R203 HydrophobicContact CE1-CB 3.93Å; Y187-R203 HydrophobicContact CE1-CG 3.87Å; Y187-R203 PolarHBondContact OH-NE 3.16Å; Y187-I216 HydrophobicContact CD1-CG1 4.37Å; Y187-I216 HydrophobicContact CE1-CG1 4.18Å; Y187-V237 HydrophobicContact CD2-CG1 4.48Å; Y187-V237 HydrophobicContact CD2-CG2 4.2Å; Y187-V237 HydrophobicContact CE2-CG2 4.29Å; Y187-L252 HydrophobicContact CD1-CD1 4.01Å; Y187-L252 HydrophobicContact CE1-CD1 3.75Å
188Y98.2Very high94Very high9 Ų934.5 Ų34.54%0.03517%0.174CC..EExtended strand (participates in β ladder)trans-143.5161.8-179.871.1-84.3000111.9L170 V173 F186 R190 V201 W202 H204 D213L170-Y188 HydrophobicContact CB-CE2 4.41Å; L170-Y188 HydrophobicContact CD1-CD1 3.62Å; L170-Y188 HydrophobicContact CD1-CE1 3.72Å; L170-Y188 HydrophobicContact CD1-CG 4.04Å; L170-Y188 HydrophobicContact CD2-CE1 4.35Å; L170-Y188 HydrophobicContact CG-CE1 4.5Å; V173-Y188 HydrophobicContact CB-CD2 4.16Å; V173-Y188 HydrophobicContact CG1-CD2 3.4Å; V173-Y188 HydrophobicContact CG1-CE2 3.55Å; F186-Y188 HydrophobicContact CD1-CD1 4.27Å; Y188-R190 HydrophobicContact CE2-CB 4.47Å; Y188-V201 WeakPolarHBondContact O-CA 3.49Å; Y188-W202 HydrophobicContact CD1-CB 3.93Å; Y188-W202 HydrophobicContact CD2-CB 4.4Å; Y188-W202 HydrophobicContact CE1-CB 3.32Å; Y188-W202 HydrophobicContact CE1-CG 4.31Å; Y188-W202 HydrophobicContact CE2-CB 3.88Å; Y188-W202 HydrophobicContact CE2-CG 4.17Å; Y188-W202 HydrophobicContact CG-CB 4.44Å; Y188-W202 AromaticContact CZ-CG 3.82Å; Y188-W202 PolarHBondContact N-O 2.87Å; Y188-W202 VanDerWaalsContact N-O 3.1Å; Y188-W202 PolarHBondContact O-N 2.92Å; Y188-W202 WeakPolarHBondContact OH-CB 3.49Å; Y188-H204 HydrophobicContact CD1-CB 4.3Å; Y188-H204 HydrophobicContact CE1-CB 4.04Å; Y188-D213 WeakPolarHBondContact CE1-OD2 3.26Å; Y188-D213 PolarHBondContact OH-OD2 3.1Å
189V98.2Very high93.9Very high0 Ų036.4 Ų36.40%018%0.181CC..EExtended strand (participates in β ladder)trans-108125.7179.2-172.50000111V173 E174 P198 Q200 V226 L228V173-V189 CarbonylContact C-O 3.59Å; V173-V189 VanDerWaalsContact CA-O 3.26Å; V173-V189 WeakPolarHBondContact CA-O 3.31Å; V173-V189 VanDerWaalsContact CB-O 3.26Å; V173-V189 WeakPolarHBondContact CB-O 3.44Å; E174-V189 HydrophobicContact CB-CB 4.14Å; E174-V189 HydrophobicContact CG-CB 4.26Å; E174-V189 HydrophobicContact CG-CG1 4.25Å; E174-V189 PolarHBondContact N-O 3.07Å; V189-P198 HydrophobicContact CG1-CB 3.63Å; V189-Q200 CarbonylContact C-O 3.51Å; V189-Q200 VanDerWaalsContact CA-O 3.26Å; V189-Q200 WeakPolarHBondContact CA-O 3.27Å; V189-V226 HydrophobicContact CG1-CB 4.11Å; V189-V226 HydrophobicContact CG1-CG1 4.05Å; V189-V226 HydrophobicContact CG2-CG1 4.35Å; V189-L228 HydrophobicContact CG2-CB 4.38Å; V189-L228 HydrophobicContact CG2-CD1 3.62Å; V189-L228 HydrophobicContact CG2-CG 3.59Å
190R97.5Very high94Very high100 Ų10036.6 Ų36.638%0.37718%0.182SC..EExtended strand (participates in β ladder)trans-94.3142.6176.2-163.1179.1-163.8172.93.5111.2Y188 Y199 Q200Y188-R190 HydrophobicContact CE2-CB 4.47Å; R190-Y199 PolarHBondContact O-N 3.34Å; R190-Q200 HydrophobicContact CB-CB 4.28Å; R190-Q200 PolarHBondContact N-O 3.19Å; R190-Q200 PolarHBondContact O-N 2.73Å
191K95Very high94.1Very high14 Ų1436.5 Ų36.56%0.06118%0.182CC..EExtended strand (participates in β ladder)trans-88.8148.1175.7-62.5-175-178-131.80111.9R151 Q152 N172 V173 E174 L196 L197R151-K191 WeakPolarHBondContact O-CE 3.49Å; R151-K191 PolarHBondContact O-NZ 3.3Å; Q152-K191 HydrophobicContact CG-CD 4.48Å; N172-K191 PolarHBondContact ND2-O 3.41Å; N172-K191 PolarHBondContact O-N 3.05Å; V173-K191 WeakPolarHBondContact O-CE 3.29Å; E174-K191 HydrophobicContact CG-CG 4.37Å; E174-K191 WeakPolarHBondContact OE1-CE 3.48Å; E174-K191 IonicContact OE1-NZ 3.09Å; E174-K191 PolarHBondContact OE1-NZ 2.92Å; E174-K191 VanDerWaalsContact OE2-CE 3.31Å; E174-K191 WeakPolarHBondContact OE2-CE 3.17Å; E174-K191 IonicContact OE2-NZ 2.8Å; E174-K191 PolarHBondContact OE2-NZ 3.46Å; K191-L196 WeakPolarHBondContact CD-O 3.4Å; K191-L197 CarbonylContact C-O 3.59Å; K191-L197 WeakPolarHBondContact CA-O 3.46Å
192H92.5Very high94.1Very high63 Ų6337 Ų3729%0.29218%0.181SC..PPolyproline II helixtrans-66.8132.4170.7-174.6-101.5000109.5V194 T195 L196 L197 Y199H192-V194 PolarHBondContact O-N 2.89Å; H192-V194 VanDerWaalsContact O-N 3.13Å; H192-T195 WeakPolarHBondContact CB-OG1 3.35Å; H192-T195 PolarHBondContact ND1-N 3.03Å; H192-T195 PolarHBondContact ND1-OG1 2.95Å; H192-L196 WeakPolarHBondContact O-CA 3.46Å; H192-L196 PolarHBondContact O-N 3.2Å; H192-L197 PolarHBondContact N-O 3.38Å; H192-Y199 HydrophobicContact CB-CD1 3.84Å; H192-Y199 HydrophobicContact CB-CE1 3.97Å; H192-Y199 HydrophobicContact CB-CG 4.4Å
193P88.2Confident94.2Very high89 Ų8934.8 Ų34.858%0.57817%0.168SC*.THydrogen-bonded Turntrans-66.5-18.6-169.424.5-35.2000114.9
194V82.8Confident94.3Very high108 Ų10834.3 Ų34.366%0.65516%0.164SC*.THydrogen-bonded Turntrans-103.8-62.3-178.5-177.60000110.9H192 L196H192-V194 PolarHBondContact O-N 2.89Å; H192-V194 VanDerWaalsContact O-N 3.13Å; V194-L196 VanDerWaalsContact C-N 3.27Å; V194-L196 PolarHBondContact O-N 3.21Å
195T83.6Confident94.4Very high25 Ų2529.8 Ų29.815%0.15315%0.154CC..THydrogen-bonded Turntrans-74-15.6-17757.30000113.6H192 L197H192-T195 WeakPolarHBondContact CB-OG1 3.35Å; H192-T195 PolarHBondContact ND1-N 3.03Å; H192-T195 PolarHBondContact ND1-OG1 2.95Å; T195-L197 PolarHBondContact O-N 3.49Å; T195-L197 VanDerWaalsContact O-N 3.16Å
196L87.6Confident94.4Very high23 Ų2329.4 Ų29.412%0.1215%0.152CC..  trans62.310.6-175.1-53.4179.3000115Q152 K191 H192 V194Q152-L196 HydrophobicContact CG-CD2 4.06Å; K191-L196 WeakPolarHBondContact CD-O 3.4Å; H192-L196 WeakPolarHBondContact O-CA 3.46Å; H192-L196 PolarHBondContact O-N 3.2Å; V194-L196 VanDerWaalsContact C-N 3.27Å; V194-L196 PolarHBondContact O-N 3.21Å
197L91Very high94.3Very high18 Ų1831.4 Ų31.49%0.09417%0.172CC..  trans-72.4137.4178.1-68.6171.5000111.3K191 H192 T195 Y199 D222 Y225K191-L197 CarbonylContact C-O 3.59Å; K191-L197 WeakPolarHBondContact CA-O 3.46Å; H192-L197 PolarHBondContact N-O 3.38Å; T195-L197 PolarHBondContact O-N 3.49Å; T195-L197 VanDerWaalsContact O-N 3.16Å; L197-Y199 PolarHBondContact O-N 2.88Å; L197-D222 HydrophobicContact CD1-CB 3.88Å; L197-D222 WeakPolarHBondContact CD1-O 3.43Å; L197-Y225 HydrophobicContact CD2-CD1 4.47Å; L197-Y225 HydrophobicContact CD2-CE1 3.66Å
198P94.8Very high94.3Very high6 Ų633 Ų334%0.03918%0.182CC..EExtended strand (participates in β ladder)trans-73117.8173.428.6-32.2000110.8E174 V189 Y225 V226E174-P198 HydrophobicContact CG-CB 3.58Å; E174-P198 HydrophobicContact CG-CG 4.29Å; V189-P198 HydrophobicContact CG1-CB 3.63Å; P198-Y225 HydrophobicContact CG-CD1 3.67Å; P198-Y225 HydrophobicContact CG-CG 4.47Å; P198-V226 WeakPolarHBondContact CB-O 3.13Å; P198-V226 WeakPolarHBondContact O-CB 3.22Å; P198-V226 WeakPolarHBondContact O-CG2 3.5Å; P198-V226 PolarHBondContact O-N 3.44Å
199Y96.4Very high94.2Very high52 Ų5235.5 Ų35.520%0.20420%0.199CC..EExtended strand (participates in β ladder)trans-137.9-16.6-168.684.6-63.4000115.1R190 H192 L197 E218 E219R190-Y199 PolarHBondContact O-N 3.34Å; H192-Y199 HydrophobicContact CB-CD1 3.84Å; H192-Y199 HydrophobicContact CB-CE1 3.97Å; H192-Y199 HydrophobicContact CB-CG 4.4Å; L197-Y199 PolarHBondContact O-N 2.88Å; Y199-E218 HydrophobicContact CD2-CG 3.91Å; Y199-E218 HydrophobicContact CE2-CG 4.02Å; Y199-E218 WeakPolarHBondContact O-CA 3.34Å; Y199-E219 PolarHBondContact O-N 2.83Å
200Q98.1Very high94Very high15 Ų1537.3 Ų37.37%0.0721%0.214CC..EExtended strand (participates in β ladder)trans-125.7135.5-179.5-73.5176.2-23.700112.4V189 R190 W202 L215 Y217 E218V189-Q200 CarbonylContact C-O 3.51Å; V189-Q200 VanDerWaalsContact CA-O 3.26Å; V189-Q200 WeakPolarHBondContact CA-O 3.27Å; R190-Q200 HydrophobicContact CB-CB 4.28Å; R190-Q200 PolarHBondContact N-O 3.19Å; R190-Q200 PolarHBondContact O-N 2.73Å; Q200-W202 VanDerWaalsContact CB-NE1 3.31Å; Q200-L215 HydrophobicContact CB-CD1 3.84Å; Q200-L215 HydrophobicContact CG-CD1 3.77Å; Q200-Y217 CarbonylContact C-O 3.55Å; Q200-Y217 VanDerWaalsContact CA-O 3.31Å; Q200-Y217 WeakPolarHBondContact CA-O 3.45Å; Q200-E218 HydrophobicContact CG-CB 4.08Å; Q200-E218 HydrophobicContact CG-CG 3.79Å; Q200-E218 PolarHBondContact NE2-OE2 3.01Å
201V98.4Very high94Very high0 Ų037.8 Ų37.80%023%0.233CC..EExtended strand (participates in β ladder)trans-99.9128.8167.9-179.20000109.3Y187 Y188 I216 Y217 V226 L228 I239Y187-V201 HydrophobicContact CD1-CG1 4.47Å; Y188-V201 WeakPolarHBondContact O-CA 3.49Å; V201-I216 HydrophobicContact CB-CB 4.46Å; V201-I216 HydrophobicContact CG1-CB 4.22Å; V201-I216 WeakPolarHBondContact O-CB 3.47Å; V201-I216 PolarHBondContact O-N 2.8Å; V201-Y217 PolarHBondContact N-O 3.16Å; V201-Y217 PolarHBondContact O-N 2.83Å; V201-V226 HydrophobicContact CG2-CG1 3.58Å; V201-L228 HydrophobicContact CG1-CD1 4.17Å; V201-L228 HydrophobicContact CG1-CD2 3.98Å; V201-L228 HydrophobicContact CG2-CD2 4.16Å; V201-I239 HydrophobicContact CB-CD1 4.31Å; V201-I239 HydrophobicContact CG1-CD1 4.23Å; V201-I239 HydrophobicContact CG1-CG1 4.48Å; V201-I239 HydrophobicContact CG2-CD1 4.09Å; V201-I239 HydrophobicContact CG2-CG1 4.17Å; V201-I239 HydrophobicContact CG2-CG2 3.81Å
202W98.1Very high94.1Very high42 Ų4243.1 Ų43.116%0.15926%0.258CS..EExtended strand (participates in β ladder)trans-120149.9-179.9-69.880.4000110.8Y187 Y188 Q200 D213 K214 L215Y187-W202 VanDerWaalsContact CA-O 3.32Å; Y187-W202 WeakPolarHBondContact CA-O 3.28Å; Y188-W202 HydrophobicContact CD1-CB 3.93Å; Y188-W202 HydrophobicContact CD2-CB 4.4Å; Y188-W202 HydrophobicContact CE1-CB 3.32Å; Y188-W202 HydrophobicContact CE1-CG 4.31Å; Y188-W202 HydrophobicContact CE2-CB 3.88Å; Y188-W202 HydrophobicContact CE2-CG 4.17Å; Y188-W202 HydrophobicContact CG-CB 4.44Å; Y188-W202 AromaticContact CZ-CG 3.82Å; Y188-W202 PolarHBondContact N-O 2.87Å; Y188-W202 VanDerWaalsContact N-O 3.1Å; Y188-W202 PolarHBondContact O-N 2.92Å; Y188-W202 WeakPolarHBondContact OH-CB 3.49Å; Q200-W202 VanDerWaalsContact CB-NE1 3.31Å; W202-D213 HydrophobicContact CE3-CB 3.81Å; W202-D213 HydrophobicContact CZ3-CB 4.41Å; W202-D213 WeakPolarHBondContact CZ3-O 3.35Å; W202-K214 CarbonylContact C-O 3.54Å; W202-K214 WeakPolarHBondContact CA-O 3.49Å; W202-L215 HydrophobicContact CD2-CB 4.48Å; W202-L215 HydrophobicContact CD2-CD1 4.32Å; W202-L215 HydrophobicContact CE3-CB 4.31Å; W202-L215 HydrophobicContact CH2-CB 4.13Å; W202-L215 HydrophobicContact CZ2-CB 4.3Å; W202-L215 HydrophobicContact CZ2-CD1 4.04Å; W202-L215 HydrophobicContact CZ3-CB 4.14Å
203R98Very high94.3Very high21 Ų2140.9 Ų40.98%0.07925%0.248CC..EExtended strand (participates in β ladder)trans-109.2126.2171.3-172.5-169.7-58.31467.8109.3T185 F186 Y187 D213 K214 I216 A257 D258 A259 E260T185-R203 HydrophobicContact CG2-CG 3.5Å; F186-R203 CarbonylContact O-C 3.6Å; F186-R203 WeakPolarHBondContact O-CA 3.34Å; Y187-R203 HydrophobicContact CD1-CB 4.09Å; Y187-R203 HydrophobicContact CD1-CG 4.27Å; Y187-R203 HydrophobicContact CE1-CB 3.93Å; Y187-R203 HydrophobicContact CE1-CG 3.87Å; Y187-R203 PolarHBondContact OH-NE 3.16Å; R203-D213 WeakPolarHBondContact O-CA 3.41Å; R203-D213 WeakPolarHBondContact O-CB 3.33Å; R203-K214 PolarHBondContact N-O 2.86Å; R203-K214 PolarHBondContact O-N 2.71Å; R203-I216 HydrophobicContact CB-CD1 3.7Å; R203-I216 HydrophobicContact CB-CG1 3.64Å; R203-I216 VanDerWaalsContact NH2-CD1 3.34Å; R203-A257 WeakPolarHBondContact CD-O 3.39Å; R203-A257 PolarHBondContact NE-O 3.2Å; R203-A257 PolarHBondContact NH1-O 3.07Å; R203-D258 PolarHBondContact NH2-O 3.34Å; R203-A259 PolarHBondContact NH2-O 3.32Å; R203-E260 IonicContact NH2-OE1 3.94Å
204H97.5Very high94.8Very high1 Ų143 Ų431%0.00525%0.248CC..EExtended strand (participates in β ladder)trans-114.2141.9178.6179.868.8000110.6F157 E168 L170 F186 Y188 T208 D213F157-H204 AromaticContact CE2-CD2 3.7Å; F157-H204 AromaticContact CE2-NE2 3.68Å; F157-H204 AromaticContact CZ-CD2 3.82Å; E168-H204 IonicContact OE1-NE2 2.61Å; L170-H204 HydrophobicContact CD1-CB 4.25Å; F186-H204 HydrophobicContact CB-CB 4.3Å; F186-H204 HydrophobicContact CD1-CB 4.44Å; F186-H204 PolarHBondContact N-O 2.96Å; F186-H204 PolarHBondContact O-N 2.98Å; Y188-H204 HydrophobicContact CD1-CB 4.3Å; Y188-H204 HydrophobicContact CE1-CB 4.04Å; H204-T208 PolarHBondContact CE1-O 3.33Å; H204-T208 VanDerWaalsContact CE1-O 3.25Å; H204-D213 IonicContact CE1-OD1 2.67Å; H204-D213 IonicContact CG-OD1 3.23Å; H204-D213 IonicContact CG-OD2 3.61Å; H204-D213 IonicContact ND1-OD1 3.85Å; H204-D213 PolarHBondContact ND1-OD1 3.3Å; H204-D213 IonicContact ND1-OD2 3.02Å; H204-D213 PolarHBondContact ND1-OD2 3.24Å
205A96.6Very high95.5Very high32 Ų3241.5 Ų41.526%0.26424%0.236SC..EExtended strand (participates in β ladder)trans-107.9123170.700000108.8T208A205-T208 HydrophobicContact CB-CG2 4.08Å; A205-T208 WeakPolarHBondContact O-CB 3.44Å; A205-T208 PolarHBondContact O-N 3.47Å; A205-T208 VanDerWaalsContact O-N 3.17Å; A205-T208 PolarHBondContact O-OG1 2.87Å
206I96Very high96.2Very high0 Ų041 Ų410%023%0.233CC..THydrogen-bonded Turntrans-58141-172.9-62-64.2000112I140 F157 Y166 W179 W184 F186 T208I140-I206 HydrophobicContact CD1-CG2 4.24Å; F157-I206 HydrophobicContact CB-CD1 4.38Å; F157-I206 HydrophobicContact CD1-CD1 3.43Å; F157-I206 VanDerWaalsContact CD1-CD1 3.43Å; F157-I206 HydrophobicContact CD2-CD1 3.77Å; F157-I206 HydrophobicContact CE1-CD1 3.46Å; F157-I206 VanDerWaalsContact CE1-CD1 3.46Å; F157-I206 HydrophobicContact CE2-CD1 3.81Å; F157-I206 HydrophobicContact CG-CD1 3.58Å; F157-I206 HydrophobicContact CZ-CD1 3.66Å; Y166-I206 HydrophobicContact CD1-CG2 3.66Å; Y166-I206 HydrophobicContact CD2-CG2 4.35Å; Y166-I206 HydrophobicContact CE1-CG2 3.39Å; Y166-I206 HydrophobicContact CE2-CG2 4.1Å; Y166-I206 HydrophobicContact CG-CG2 4.14Å; W179-I206 HydrophobicContact CH2-CD1 3.42Å; W179-I206 VanDerWaalsContact CH2-CD1 3.42Å; W179-I206 HydrophobicContact CH2-CG1 3.72Å; W179-I206 HydrophobicContact CZ3-CD1 3.67Å; W179-I206 HydrophobicContact CZ3-CG1 3.58Å; W184-I206 HydrophobicContact CE3-CB 4.16Å; W184-I206 WeakPolarHBondContact CH2-O 3.46Å; W184-I206 WeakPolarHBondContact CZ2-O 3.38Å; W184-I206 HydrophobicContact CZ3-CB 4.19Å; W184-I206 WeakPolarHBondContact O-CG1 3.43Å; W184-I206 PolarHBondContact O-N 3.25Å; F186-I206 HydrophobicContact CB-CD1 4.49Å; I206-T208 PolarHBondContact O-N 2.82Å
207G94.7Very high96.7Very high42 Ų4241.1 Ų41.143%0.43323%0.231SC..THydrogen-bonded Turntrans75.64.6-178.300000115.1E168E168-G207 WeakPolarHBondContact OE1-CA 2.91Å; E168-G207 PolarHBondContact OE1-N 2.92Å
208T96.3Very high97Very high33 Ų3342.9 Ų42.920%0.20224%0.239CC..SBendtrans-101153.7170.971.70000110.5H204 A205 I206H204-T208 PolarHBondContact CE1-O 3.33Å; H204-T208 VanDerWaalsContact CE1-O 3.25Å; A205-T208 HydrophobicContact CB-CG2 4.08Å; A205-T208 WeakPolarHBondContact O-CB 3.44Å; A205-T208 PolarHBondContact O-N 3.47Å; A205-T208 VanDerWaalsContact O-N 3.17Å; A205-T208 PolarHBondContact O-OG1 2.87Å; I206-T208 PolarHBondContact O-N 2.82Å
209P96.3Very high97.1Very high62 Ų6243.4 Ų43.440%0.40324%0.241SC..  trans-70.5142.5174.728.6-33.5000110.8S211 Q212P209-S211 PolarHBondContact O-N 2.98Å; P209-Q212 HydrophobicContact CG-CG 4.04Å; P209-Q212 WeakPolarHBondContact O-CB 3.3Å; P209-Q212 PolarHBondContact O-N 2.72Å
210A95.7Very high97.1Very high38 Ų3848.6 Ų48.631%0.31427%0.265SS..G310 helixtrans-54-21.5-179.700000114.7L170 Q212 D213L170-A210 HydrophobicContact CD2-CB 3.73Å; A210-Q212 PolarHBondContact O-N 3.09Å; A210-D213 VanDerWaalsContact O-CB 3.29Å; A210-D213 WeakPolarHBondContact O-CB 3.33Å; A210-D213 VanDerWaalsContact O-CG 3.27Å; A210-D213 PolarHBondContact O-N 2.98Å; A210-D213 VanDerWaalsContact O-N 3.15Å
211S96.1Very high96.9Very high110 Ų11051 Ų5177%0.76928%0.278SS*.G310 helixtrans-65.1-14.5173.459.50000114.2P209P209-S211 PolarHBondContact O-N 2.98Å
212Q97Very high96.5Very high126 Ų12654.7 Ų54.759%0.58930%0.298SS*.G310 helixtrans-95.2-2.1176.2-65.8-178.126.500112.8P209 A210P209-Q212 HydrophobicContact CG-CG 4.04Å; P209-Q212 WeakPolarHBondContact O-CB 3.3Å; P209-Q212 PolarHBondContact O-N 2.72Å; A210-Q212 PolarHBondContact O-N 3.09Å
213D97.6Very high96.2Very high15 Ų1553.8 Ų53.88%0.0830%0.297CS..PPolyproline II helixtrans-64.4146.8-179-670.6000110.9Y188 W202 R203 H204 A210Y188-D213 WeakPolarHBondContact CE1-OD2 3.26Å; Y188-D213 PolarHBondContact OH-OD2 3.1Å; W202-D213 HydrophobicContact CE3-CB 3.81Å; W202-D213 HydrophobicContact CZ3-CB 4.41Å; W202-D213 WeakPolarHBondContact CZ3-O 3.35Å; R203-D213 WeakPolarHBondContact O-CA 3.41Å; R203-D213 WeakPolarHBondContact O-CB 3.33Å; H204-D213 IonicContact CE1-OD1 2.67Å; H204-D213 IonicContact CG-OD1 3.23Å; H204-D213 IonicContact CG-OD2 3.61Å; H204-D213 IonicContact ND1-OD1 3.85Å; H204-D213 PolarHBondContact ND1-OD1 3.3Å; H204-D213 IonicContact ND1-OD2 3.02Å; H204-D213 PolarHBondContact ND1-OD2 3.24Å; A210-D213 VanDerWaalsContact O-CB 3.29Å; A210-D213 WeakPolarHBondContact O-CB 3.33Å; A210-D213 VanDerWaalsContact O-CG 3.27Å; A210-D213 PolarHBondContact O-N 2.98Å; A210-D213 VanDerWaalsContact O-N 3.15Å
214K97.7Very high96Very high133 Ų13353.8 Ų53.858%0.57830%0.297SS*.EExtended strand (participates in β ladder)trans-101.9128.7-178.7-65.8-176.8179.61790110W202 R203 I216W202-K214 CarbonylContact C-O 3.54Å; W202-K214 WeakPolarHBondContact CA-O 3.49Å; R203-K214 PolarHBondContact N-O 2.86Å; R203-K214 PolarHBondContact O-N 2.71Å; K214-I216 HydrophobicContact CB-CD1 4.27Å; K214-I216 PolarHBondContact O-N 3.29Å
215L97.9Very high95.8Very high77 Ų7758 Ų5840%0.40331%0.314SS..EExtended strand (participates in β ladder)trans-68.9122.7169.1179.467000109.2Q200 W202 Y217 E218Q200-L215 HydrophobicContact CB-CD1 3.84Å; Q200-L215 HydrophobicContact CG-CD1 3.77Å; W202-L215 HydrophobicContact CD2-CB 4.48Å; W202-L215 HydrophobicContact CD2-CD1 4.32Å; W202-L215 HydrophobicContact CE3-CB 4.31Å; W202-L215 HydrophobicContact CH2-CB 4.13Å; W202-L215 HydrophobicContact CZ2-CB 4.3Å; W202-L215 HydrophobicContact CZ2-CD1 4.04Å; W202-L215 HydrophobicContact CZ3-CB 4.14Å; L215-Y217 WeakPolarHBondContact CD1-O 3.42Å; L215-E218 HydrophobicContact CD1-CB 4.49Å; L215-E218 HydrophobicContact CD2-CB 4.41Å
216I98Very high95.9Very high15 Ų1556.6 Ų56.68%0.07730%0.302CS..EExtended strand (participates in β ladder)trans-101.9-38.1-177.8-58.1-51.1000111.3Y187 V201 R203 K214 I239 L252 P261Y187-I216 HydrophobicContact CD1-CG1 4.37Å; Y187-I216 HydrophobicContact CE1-CG1 4.18Å; V201-I216 HydrophobicContact CB-CB 4.46Å; V201-I216 HydrophobicContact CG1-CB 4.22Å; V201-I216 WeakPolarHBondContact O-CB 3.47Å; V201-I216 PolarHBondContact O-N 2.8Å; R203-I216 HydrophobicContact CB-CD1 3.7Å; R203-I216 HydrophobicContact CB-CG1 3.64Å; R203-I216 VanDerWaalsContact NH2-CD1 3.34Å; K214-I216 HydrophobicContact CB-CD1 4.27Å; K214-I216 PolarHBondContact O-N 3.29Å; I216-I239 HydrophobicContact CG2-CD1 4.45Å; I216-L252 HydrophobicContact CG2-CD1 4.3Å; I216-L252 HydrophobicContact CG2-CD2 3.93Å; I216-P261 HydrophobicContact CG2-CG 3.94Å
217Y98Very high95.9Very high25 Ų2558.4 Ų58.410%0.09832%0.315CS..EExtended strand (participates in β ladder)trans-153.1145.4179.5-178-105.6000110.6Q200 V201 L215 E219 I239 L241 R250Q200-Y217 CarbonylContact C-O 3.55Å; Q200-Y217 VanDerWaalsContact CA-O 3.31Å; Q200-Y217 WeakPolarHBondContact CA-O 3.45Å; V201-Y217 PolarHBondContact N-O 3.16Å; V201-Y217 PolarHBondContact O-N 2.83Å; L215-Y217 WeakPolarHBondContact CD1-O 3.42Å; Y217-E219 HydrophobicContact CE1-CB 3.98Å; Y217-E219 PolarHBondContact OH-OE2 3.24Å; Y217-I239 HydrophobicContact CD1-CG2 4.12Å; Y217-I239 HydrophobicContact CG-CD1 4.5Å; Y217-L241 HydrophobicContact CD1-CD2 4.17Å; Y217-L241 HydrophobicContact CE1-CD1 3.72Å; Y217-L241 HydrophobicContact CE1-CD2 3.46Å; Y217-L241 VanDerWaalsContact CE1-CD2 3.46Å; Y217-L241 HydrophobicContact CE1-CG 4.23Å; Y217-L241 WeakPolarHBondContact OH-CD1 3.49Å; Y217-R250 VanDerWaalsContact CE2-NE 3.33Å
218E98.1Very high96Very high56 Ų5657 Ų5726%0.26230%0.297SS..EExtended strand (participates in β ladder)trans-135.7121.7172-176.7171.5134.700109Y199 Q200 L215 K220Y199-E218 HydrophobicContact CD2-CG 3.91Å; Y199-E218 HydrophobicContact CE2-CG 4.02Å; Y199-E218 WeakPolarHBondContact O-CA 3.34Å; Q200-E218 HydrophobicContact CG-CB 4.08Å; Q200-E218 HydrophobicContact CG-CG 3.79Å; Q200-E218 PolarHBondContact NE2-OE2 3.01Å; L215-E218 HydrophobicContact CD1-CB 4.49Å; L215-E218 HydrophobicContact CD2-CB 4.41Å; E218-K220 HydrophobicContact CG-CD 4.46Å; E218-K220 IonicContact OE1-NZ 2.89Å; E218-K220 PolarHBondContact OE1-NZ 3.17Å
219E97.2Very high96Very high16 Ų1658.6 Ų58.68%0.07530%0.302CS..  trans-78.7133.9170.7-179.854.4-92.900109.4Y199 Y217 D221 V226 R267Y199-E219 PolarHBondContact O-N 2.83Å; Y217-E219 HydrophobicContact CE1-CB 3.98Å; Y217-E219 PolarHBondContact OH-OE2 3.24Å; E219-D221 VanDerWaalsContact CG-O 3.25Å; E219-D221 WeakPolarHBondContact CG-O 3.34Å; E219-D221 PolarHBondContact OE1-N 3.07Å; E219-V226 HydrophobicContact CB-CG2 3.66Å; E219-V226 HydrophobicContact CG-CG2 4.42Å; E219-R267 IonicContact OE1-NH1 2.72Å; E219-R267 PolarHBondContact OE1-NH1 2.92Å; E219-R267 IonicContact OE1-NH2 3.8Å; E219-R267 IonicContact OE2-CZ 3.7Å; E219-R267 VanDerWaalsContact OE2-CZ 3.28Å; E219-R267 IonicContact OE2-NH1 3.74Å; E219-R267 PolarHBondContact OE2-NH1 3.24Å; E219-R267 IonicContact OE2-NH2 3.28Å; E219-R267 PolarHBondContact OE2-NH2 3.24Å
220K95.5Very high96.1Very high162 Ų16258.4 Ų58.470%0.70430%0.295SS*.  trans-102.5-22.8-177.8-61.6-60.3-176.2176.70112.4E218E218-K220 HydrophobicContact CG-CD 4.46Å; E218-K220 IonicContact OE1-NZ 2.89Å; E218-K220 PolarHBondContact OE1-NZ 3.17Å
221D93.9Very high96.2Very high66 Ų6656.8 Ų56.835%0.35328%0.281SS..  trans-94.2106.4175.6-172.9-20.8000109.1E219 T223 Y224E219-D221 VanDerWaalsContact CG-O 3.25Å; E219-D221 WeakPolarHBondContact CG-O 3.34Å; E219-D221 PolarHBondContact OE1-N 3.07Å; D221-T223 VanDerWaalsContact CG-OG1 3.26Å; D221-T223 PolarHBondContact O-N 2.68Å; D221-T223 VanDerWaalsContact O-N 3.09Å; D221-T223 WeakPolarHBondContact OD1-CB 3.33Å; D221-T223 WeakPolarHBondContact OD1-CG2 3.35Å; D221-T223 PolarHBondContact OD1-N 3.21Å; D221-T223 VanDerWaalsContact OD1-N 3.09Å; D221-T223 PolarHBondContact OD1-OG1 2.86Å; D221-Y224 HydrophobicContact CB-CD2 3.84Å; D221-Y224 HydrophobicContact CB-CE2 4.32Å; D221-Y224 PolarHBondContact O-N 3.26Å; D221-Y224 WeakPolarHBondContact OD2-CE2 3.29Å
222D90.1Very high96.3Very high76 Ų7653.5 Ų53.541%0.40626%0.257SS..THydrogen-bonded Turntrans-70.3-2.4-175.467.222.5000114.1L197 T574L197-D222 HydrophobicContact CD1-CB 3.88Å; L197-D222 WeakPolarHBondContact CD1-O 3.43Å; D222-T574 WeakPolarHBondContact OD1-CB 3.45Å; D222-T574 PolarHBondContact OD1-OG1 2.82Å
223T90.9Very high96.3Very high24 Ų2448.5 Ų48.515%0.14724%0.236CC..THydrogen-bonded Turntrans-75.6-14.916968.70000112.7D221 S243D221-T223 VanDerWaalsContact CG-OG1 3.26Å; D221-T223 PolarHBondContact O-N 2.68Å; D221-T223 VanDerWaalsContact O-N 3.09Å; D221-T223 WeakPolarHBondContact OD1-CB 3.33Å; D221-T223 WeakPolarHBondContact OD1-CG2 3.35Å; D221-T223 PolarHBondContact OD1-N 3.21Å; D221-T223 VanDerWaalsContact OD1-N 3.09Å; D221-T223 PolarHBondContact OD1-OG1 2.86Å; T223-S243 WeakPolarHBondContact O-CA 3.33Å; T223-S243 WeakPolarHBondContact O-CB 3.26Å
224Y94.5Very high96.2Very high20 Ų2051.9 Ų51.98%0.07825%0.25CC..SBendtrans-100.7118.7-179.1-72.4-102.8000111.7D221 L241 A242 T246 R267D221-Y224 HydrophobicContact CB-CD2 3.84Å; D221-Y224 HydrophobicContact CB-CE2 4.32Å; D221-Y224 PolarHBondContact O-N 3.26Å; D221-Y224 WeakPolarHBondContact OD2-CE2 3.29Å; Y224-L241 HydrophobicContact CD1-CB 4.21Å; Y224-A242 WeakPolarHBondContact CA-O 3.28Å; Y224-T246 HydrophobicContact CE1-CG2 4.12Å; Y224-T246 WeakPolarHBondContact OH-CB 3.43Å; Y224-T246 VanDerWaalsContact OH-CG2 3.26Å; Y224-T246 WeakPolarHBondContact OH-CG2 3.19Å; Y224-R267 VanDerWaalsContact CD2-NH1 3.34Å
225Y93.7Very high96.2Very high89 Ų8949 Ų4935%0.34924%0.238SC..EExtended strand (participates in β ladder)trans-76132.2169.9-71.7-95.4000110.6L197 P198 L241 A242 L572L197-Y225 HydrophobicContact CD2-CD1 4.47Å; L197-Y225 HydrophobicContact CD2-CE1 3.66Å; P198-Y225 HydrophobicContact CG-CD1 3.67Å; P198-Y225 HydrophobicContact CG-CG 4.47Å; Y225-L241 WeakPolarHBondContact O-CA 3.44Å; Y225-A242 PolarHBondContact N-O 3.31Å; Y225-A242 PolarHBondContact O-N 3Å; Y225-A242 VanDerWaalsContact O-N 3.09Å; Y225-L572 WeakPolarHBondContact OH-CD2 3.44Å
226V97.6Very high96.2Very high3 Ų347.6 Ų47.62%0.01823%0.228CC..EExtended strand (participates in β ladder)trans-94.5128.2173.8-176.10000110.4V189 P198 V201 E219 I239 L241V189-V226 HydrophobicContact CG1-CB 4.11Å; V189-V226 HydrophobicContact CG1-CG1 4.05Å; V189-V226 HydrophobicContact CG2-CG1 4.35Å; P198-V226 WeakPolarHBondContact CB-O 3.13Å; P198-V226 WeakPolarHBondContact O-CB 3.22Å; P198-V226 WeakPolarHBondContact O-CG2 3.5Å; P198-V226 PolarHBondContact O-N 3.44Å; V201-V226 HydrophobicContact CG2-CG1 3.58Å; E219-V226 HydrophobicContact CB-CG2 3.66Å; E219-V226 HydrophobicContact CG-CG2 4.42Å; V226-I239 HydrophobicContact CG1-CG2 4.1Å; V226-L241 HydrophobicContact CB-CD2 4.28Å; V226-L241 HydrophobicContact CG1-CD2 4.15Å; V226-L241 HydrophobicContact CG2-CD2 3.72Å
227S96.9Very high96.2Very high39 Ų3946.9 Ų46.927%0.27322%0.224SC..EExtended strand (participates in β ladder)trans-137.7159.6174.860.90000111.9H240S227-H240 PolarHBondContact N-O 2.97Å; S227-H240 PolarHBondContact O-N 2.88Å; S227-H240 PolarHBondContact OG-O 3Å
228L97.5Very high96.2Very high12 Ų1245.7 Ų45.76%0.06322%0.219CC..EExtended strand (participates in β ladder)trans-121.9139.8178.2-68.6171000111.6V178 V189 V201 V237 V238 I239V178-L228 HydrophobicContact CG2-CB 3.95Å; V189-L228 HydrophobicContact CG2-CB 4.38Å; V189-L228 HydrophobicContact CG2-CD1 3.62Å; V189-L228 HydrophobicContact CG2-CG 3.59Å; V201-L228 HydrophobicContact CG1-CD1 4.17Å; V201-L228 HydrophobicContact CG1-CD2 3.98Å; V201-L228 HydrophobicContact CG2-CD2 4.16Å; L228-V237 HydrophobicContact CD2-CG1 4.17Å; L228-V238 WeakPolarHBondContact CA-O 3.42Å; L228-I239 HydrophobicContact CD2-CB 4.38Å; L228-I239 HydrophobicContact CD2-CG1 3.77Å
229H96.1Very high96.2Very high66 Ų6643 Ų4331%0.30621%0.207SC..EExtended strand (participates in β ladder)trans-149.3175.8164.661.8-84.6000110.6V238H229-V238 VanDerWaalsContact CE1-CB 3.47Å; H229-V238 WeakPolarHBondContact CE1-CB 3.46Å; H229-V238 WeakPolarHBondContact CE1-CG1 3.28Å; H229-V238 PolarHBondContact N-O 3.31Å; H229-V238 VanDerWaalsContact N-O 3.12Å; H229-V238 WeakPolarHBondContact NE2-CB 3.37Å; H229-V238 WeakPolarHBondContact NE2-CG1 3.36Å; H229-V238 PolarHBondContact O-N 3Å
230K97Very high96.2Very high58 Ų5843.9 Ų43.925%0.25221%0.211SC..EExtended strand (participates in β ladder)trans-120.7139.5178.8-159.4173.6-171.3167.10109.2V178 W179 N181 K234 Y236V178-K230 HydrophobicContact CG1-CB 3.85Å; V178-K230 HydrophobicContact CG1-CD 3.93Å; V178-K230 HydrophobicContact CG1-CG 4.1Å; W179-K230 PolarHBondContact O-NZ 3.3Å; N181-K230 WeakPolarHBondContact OD1-CE 3.41Å; N181-K230 PolarHBondContact OD1-NZ 2.67Å; K230-K234 WeakPolarHBondContact CE-O 3.24Å; K230-Y236 WeakPolarHBondContact CA-O 3.31Å; K230-Y236 WeakPolarHBondContact CG-O 3.33Å
231T98.2Very high96.4Very high4 Ų436.1 Ų36.13%0.02518%0.177CC..  trans-67.9155.7178.862.10000111.5S233 K234 Y236 V238 L275 D276 H277T231-S233 PolarHBondContact O-N 3.31Å; T231-S233 PolarHBondContact OG1-OG 3.42Å; T231-K234 WeakPolarHBondContact O-CA 3.25Å; T231-K234 PolarHBondContact O-N 2.89Å; T231-Y236 PolarHBondContact N-O 2.92Å; T231-Y236 PolarHBondContact OG1-N 3.37Å; T231-V238 HydrophobicContact CG2-CG2 3.57Å; T231-L275 HydrophobicContact CG2-CD1 4.42Å; T231-D276 VanDerWaalsContact CA-OD1 3.25Å; T231-D276 WeakPolarHBondContact CA-OD1 3.39Å; T231-D276 WeakPolarHBondContact CB-OD1 3.4Å; T231-H277 HydrophobicContact CG2-CB 3.78Å
232T97.8Very high96.5Very high41 Ų4134.1 Ų34.125%0.25217%0.169SC..THydrogen-bonded Turntrans-54.6-36.2177.2-67.70000112.3K234 D276 Y278 P370T232-K234 PolarHBondContact O-N 3.49Å; T232-D276 WeakPolarHBondContact CB-OD2 3.2Å; T232-D276 PolarHBondContact N-OD1 3.34Å; T232-D276 PolarHBondContact OG1-OD1 2.68Å; T232-D276 PolarHBondContact OG1-OD2 3.01Å; T232-Y278 HydrophobicContact CG2-CD2 3.62Å; T232-Y278 HydrophobicContact CG2-CE2 4.16Å; T232-Y278 HydrophobicContact CG2-CG 3.99Å; T232-P370 HydrophobicContact CG2-CB 3.52Å; T232-P370 HydrophobicContact CG2-CG 3.61Å
233S97.2Very high96.7Very high21 Ų2131.2 Ų31.215%0.14716%0.155CC..THydrogen-bonded Turntrans-69.6-9.6174.378.90000114.7T231 H235 H277T231-S233 PolarHBondContact O-N 3.31Å; T231-S233 PolarHBondContact OG1-OG 3.42Å; S233-H235 PolarHBondContact O-CD2 2.92Å; S233-H235 PolarHBondContact O-N 2.86Å; S233-H235 VanDerWaalsContact O-N 3.1Å; S233-H235 VanDerWaalsContact OG-CB 3.27Å; S233-H235 WeakPolarHBondContact OG-CB 3.43Å; S233-H235 VanDerWaalsContact OG-CG 3.31Å; S233-H235 PolarHBondContact OG-N 2.77Å; S233-H235 VanDerWaalsContact OG-N 3.12Å; S233-H277 WeakPolarHBondContact CB-ND1 3.27Å; S233-H277 WeakPolarHBondContact CB-O 3.49Å; S233-H277 PolarHBondContact N-O 2.78Å; S233-H277 PolarHBondContact OG-ND1 3.5Å; S233-H277 PolarHBondContact OG-O 3.39Å
234K96.7Very high96.6Very high86 Ų8632.1 Ų32.137%0.37417%0.165SC..SBendtrans62.17.1-171.2-52.5172.8-175.9172.40114.9N181 K230 T231 T232 A254N181-K234 PolarHBondContact ND2-O 3.23Å; N181-K234 PolarHBondContact OD1-O 3.02Å; K230-K234 WeakPolarHBondContact CE-O 3.24Å; T231-K234 WeakPolarHBondContact O-CA 3.25Å; T231-K234 PolarHBondContact O-N 2.89Å; T232-K234 PolarHBondContact O-N 3.49Å; K234-A254 WeakPolarHBondContact O-CB 3.35Å
235H97Very high96.5Very high73 Ų7331.9 Ų31.934%0.33817%0.166SC..SBendtrans-81.4-27.9-176.4-68.3-169.4000113.1S233 A254 H277S233-H235 PolarHBondContact O-CD2 2.92Å; S233-H235 PolarHBondContact O-N 2.86Å; S233-H235 VanDerWaalsContact O-N 3.1Å; S233-H235 VanDerWaalsContact OG-CB 3.27Å; S233-H235 WeakPolarHBondContact OG-CB 3.43Å; S233-H235 VanDerWaalsContact OG-CG 3.31Å; S233-H235 PolarHBondContact OG-N 2.77Å; S233-H235 VanDerWaalsContact OG-N 3.12Å; H235-A254 WeakPolarHBondContact O-CB 3.44Å; H235-A254 PolarHBondContact O-N 3.02Å; H235-H277 AromaticContact ND1-CE1 3.88Å
236Y97.9Very high96.6Very high47 Ų4727.7 Ų27.718%0.18415%0.15CC..EExtended strand (participates in β ladder)trans-123.6135.5-177-59.8-71000111.7K230 T231 L251 L252 F262 H277 F282K230-Y236 WeakPolarHBondContact CA-O 3.31Å; K230-Y236 WeakPolarHBondContact CG-O 3.33Å; T231-Y236 PolarHBondContact N-O 2.92Å; T231-Y236 PolarHBondContact OG1-N 3.37Å; Y236-L251 HydrophobicContact CD1-CB 4.11Å; Y236-L251 HydrophobicContact CD1-CD1 4.37Å; Y236-L251 HydrophobicContact CG-CD1 4.37Å; Y236-L252 CarbonylContact C-O 3.59Å; Y236-L252 VanDerWaalsContact CA-O 3.26Å; Y236-L252 WeakPolarHBondContact CA-O 3.42Å; Y236-F262 HydrophobicContact CD1-CZ 4.49Å; Y236-F262 HydrophobicContact CE1-CE1 4.46Å; Y236-F262 HydrophobicContact CE1-CZ 4.04Å; Y236-H277 HydrophobicContact CD2-CB 3.98Å; Y236-H277 AromaticContact CD2-CG 3.83Å; Y236-H277 AromaticContact CD2-ND1 3.97Å; Y236-H277 HydrophobicContact CE2-CB 4.39Å; Y236-H277 AromaticContact CE2-CD2 3.84Å; Y236-H277 AromaticContact CE2-CE1 3.97Å; Y236-H277 AromaticContact CE2-CG 3.79Å; Y236-H277 AromaticContact CE2-ND1 3.87Å; Y236-H277 AromaticContact CE2-NE2 3.99Å; Y236-F282 AromaticContact CD2-CE1 3.93Å; Y236-F282 HydrophobicContact CD2-CE1 3.93Å; Y236-F282 HydrophobicContact CD2-CZ 4.08Å; Y236-F282 AromaticContact CE2-CE1 3.83Å; Y236-F282 HydrophobicContact CE2-CE1 3.83Å; Y236-F282 AromaticContact CE2-CZ 3.51Å; Y236-F282 HydrophobicContact CE2-CZ 3.51Å; Y236-F282 AromaticContact CZ-CZ 3.96Å
237V97.8Very high96.6Very high0 Ų027.7 Ų27.70%015%0.15CC..EExtended strand (participates in β ladder)trans-86.7130.5156.3-177.20000107.2V178 Y187 L228 L252 A254V178-V237 HydrophobicContact CB-CG1 4.01Å; V178-V237 HydrophobicContact CG1-CB 4.36Å; V178-V237 HydrophobicContact CG1-CG1 3.94Å; V178-V237 HydrophobicContact CG1-CG2 3.68Å; V178-V237 HydrophobicContact CG2-CG1 4.26Å; Y187-V237 HydrophobicContact CD2-CG1 4.48Å; Y187-V237 HydrophobicContact CD2-CG2 4.2Å; Y187-V237 HydrophobicContact CE2-CG2 4.29Å; L228-V237 HydrophobicContact CD2-CG1 4.17Å; V237-L252 HydrophobicContact CB-CB 4.11Å; V237-L252 HydrophobicContact CB-CD1 4.22Å; V237-L252 HydrophobicContact CG1-CD1 4.23Å; V237-L252 PolarHBondContact N-O 3.33Å; V237-L252 PolarHBondContact O-N 2.88Å; V237-A254 HydrophobicContact CG2-CB 4.06Å
238V98.4Very high96.7Very high0 Ų026.3 Ų26.30%014%0.139CC..EExtended strand (participates in β ladder)trans-106.3118.6-175.5-171.50000108.7L228 H229 T231 V249 L251 L275L228-V238 WeakPolarHBondContact CA-O 3.42Å; H229-V238 VanDerWaalsContact CE1-CB 3.47Å; H229-V238 WeakPolarHBondContact CE1-CB 3.46Å; H229-V238 WeakPolarHBondContact CE1-CG1 3.28Å; H229-V238 PolarHBondContact N-O 3.31Å; H229-V238 VanDerWaalsContact N-O 3.12Å; H229-V238 WeakPolarHBondContact NE2-CB 3.37Å; H229-V238 WeakPolarHBondContact NE2-CG1 3.36Å; H229-V238 PolarHBondContact O-N 3Å; T231-V238 HydrophobicContact CG2-CG2 3.57Å; V238-V249 HydrophobicContact CG1-CG1 3.42Å; V238-V249 VanDerWaalsContact CG1-CG1 3.42Å; V238-L251 HydrophobicContact CB-CD2 4.37Å; V238-L251 HydrophobicContact CG1-CD2 4.2Å; V238-L251 HydrophobicContact CG2-CD2 3.85Å; V238-L275 HydrophobicContact CG2-CD1 4.27Å
239I98.4Very high96.7Very high0 Ų025.8 Ų25.80%014%0.136CC..EExtended strand (participates in β ladder)trans-90.2110.6164.3-52.3174.2000106.3V201 I216 Y217 V226 L228 L241 R250 L252 P261V201-I239 HydrophobicContact CB-CD1 4.31Å; V201-I239 HydrophobicContact CG1-CD1 4.23Å; V201-I239 HydrophobicContact CG1-CG1 4.48Å; V201-I239 HydrophobicContact CG2-CD1 4.09Å; V201-I239 HydrophobicContact CG2-CG1 4.17Å; V201-I239 HydrophobicContact CG2-CG2 3.81Å; I216-I239 HydrophobicContact CG2-CD1 4.45Å; Y217-I239 HydrophobicContact CD1-CG2 4.12Å; Y217-I239 HydrophobicContact CG-CD1 4.5Å; V226-I239 HydrophobicContact CG1-CG2 4.1Å; L228-I239 HydrophobicContact CD2-CB 4.38Å; L228-I239 HydrophobicContact CD2-CG1 3.77Å; I239-L241 HydrophobicContact CG2-CD2 3.92Å; I239-R250 HydrophobicContact CB-CB 4.18Å; I239-R250 PolarHBondContact N-O 3.19Å; I239-R250 PolarHBondContact O-N 3Å; I239-L252 HydrophobicContact CD1-CD1 3.99Å; I239-L252 HydrophobicContact CD1-CG 4.47Å; I239-L252 HydrophobicContact CG1-CD1 4.11Å; I239-P261 HydrophobicContact CD1-CB 3.92Å; I239-P261 HydrophobicContact CD1-CG 4.49Å
240H98.1Very high96.8Very high34 Ų3425.2 Ų25.216%0.15713%0.131CC..EExtended strand (participates in β ladder)trans-105.2122.3-179.8180-125.3000109.7S227S227-H240 PolarHBondContact N-O 2.97Å; S227-H240 PolarHBondContact O-N 2.88Å; S227-H240 PolarHBondContact OG-O 3Å
241L98Very high96.9Very high0 Ų022.4 Ų22.40%012%0.119CC..EExtended strand (participates in β ladder)trans-109.5122.9179.5-47.7175.4000107.1Y217 Y224 Y225 V226 I239 S247 E248 R267Y217-L241 HydrophobicContact CD1-CD2 4.17Å; Y217-L241 HydrophobicContact CE1-CD1 3.72Å; Y217-L241 HydrophobicContact CE1-CD2 3.46Å; Y217-L241 VanDerWaalsContact CE1-CD2 3.46Å; Y217-L241 HydrophobicContact CE1-CG 4.23Å; Y217-L241 WeakPolarHBondContact OH-CD1 3.49Å; Y224-L241 HydrophobicContact CD1-CB 4.21Å; Y225-L241 WeakPolarHBondContact O-CA 3.44Å; V226-L241 HydrophobicContact CB-CD2 4.28Å; V226-L241 HydrophobicContact CG1-CD2 4.15Å; V226-L241 HydrophobicContact CG2-CD2 3.72Å; I239-L241 HydrophobicContact CG2-CD2 3.92Å; L241-S247 CarbonylContact O-C 3.46Å; L241-S247 VanDerWaalsContact O-CA 3.27Å; L241-S247 WeakPolarHBondContact O-CA 3.46Å; L241-E248 HydrophobicContact CB-CB 4.25Å; L241-E248 WeakPolarHBondContact CB-O 3.41Å; L241-E248 HydrophobicContact CD1-CB 4.19Å; L241-E248 HydrophobicContact CD1-CG 4.14Å; L241-E248 PolarHBondContact N-O 3.3Å; L241-E248 PolarHBondContact O-N 3.32Å; L241-R267 VanDerWaalsContact CD1-NH2 3.3Å
242A96.5Very high96.9Very high23 Ų2322.2 Ų22.219%0.1912%0.118CC..EExtended strand (participates in β ladder)trans-141127.1-178.600000112Y224 Y225 T246Y224-A242 WeakPolarHBondContact CA-O 3.28Å; Y225-A242 PolarHBondContact N-O 3.31Å; Y225-A242 PolarHBondContact O-N 3Å; Y225-A242 VanDerWaalsContact O-N 3.09Å; A242-T246 WeakPolarHBondContact CA-O 3.3Å
243S94.6Very high96.8Very high16 Ų1622.4 Ų22.411%0.11212%0.117CC..  trans-89.7-171.2157.485.30000109.5T223 T245 T246 E578T223-S243 WeakPolarHBondContact O-CA 3.33Å; T223-S243 WeakPolarHBondContact O-CB 3.26Å; S243-T245 PolarHBondContact O-N 3.34Å; S243-T245 PolarHBondContact OG-N 3.17Å; S243-T246 PolarHBondContact N-O 3.4Å; S243-T246 PolarHBondContact OG-N 2.95Å; S243-E578 WeakPolarHBondContact CB-OE2 3.48Å; S243-E578 PolarHBondContact OG-OE1 3.47Å; S243-E578 PolarHBondContact OG-OE2 2.96Å
244A89.3Confident96.8Very high43 Ų4321.5 Ų21.536%0.35511%0.111SC..SBendtrans-70.2-19.7176.700000113.3E578A244-E578 WeakPolarHBondContact CA-OE2 3.4Å; A244-E578 HydrophobicContact CB-CB 3.74Å; A244-E578 WeakPolarHBondContact CB-OE2 3.39Å; A244-E578 PolarHBondContact N-OE2 3.43Å
245T91Very high96.7Very high15 Ų1523.1 Ų23.19%0.09212%0.12CC..SBendtrans-127.3-9.4-178.979.40000115.3S243 D270 H271 E578S243-T245 PolarHBondContact O-N 3.34Å; S243-T245 PolarHBondContact OG-N 3.17Å; T245-D270 WeakPolarHBondContact CB-OD1 3.26Å; T245-D270 CarbonylContact O-C 3.57Å; T245-D270 VanDerWaalsContact O-C 3.29Å; T245-D270 VanDerWaalsContact O-CA 3.24Å; T245-D270 WeakPolarHBondContact O-CA 3.29Å; T245-D270 PolarHBondContact OG1-OD1 2.79Å; T245-H271 PolarHBondContact O-N 2.83Å; T245-E578 HydrophobicContact CG2-CB 4.43Å; T245-E578 PolarHBondContact N-OE2 2.8Å
246T96.8Very high96.6Very high1 Ų124.6 Ų24.61%0.00613%0.128CC..  trans-137136.9-168.3-54.40000112.3Y224 A242 S243 R267 R268 K269 D270Y224-T246 HydrophobicContact CE1-CG2 4.12Å; Y224-T246 WeakPolarHBondContact OH-CB 3.43Å; Y224-T246 VanDerWaalsContact OH-CG2 3.26Å; Y224-T246 WeakPolarHBondContact OH-CG2 3.19Å; A242-T246 WeakPolarHBondContact CA-O 3.3Å; S243-T246 PolarHBondContact N-O 3.4Å; S243-T246 PolarHBondContact OG-N 2.95Å; T246-R267 HydrophobicContact CG2-CB 3.85Å; T246-R268 WeakPolarHBondContact CG2-O 3.36Å; T246-K269 WeakPolarHBondContact OG1-CA 3.31Å; T246-D270 PolarHBondContact OG1-N 3.27Å
247S98.1Very high95.9Very high3 Ų324.8 Ų24.82%0.02114%0.14CC..EExtended strand (participates in β ladder)trans-119.9150.9177-46.10000113L241 H271 E272 Y273L241-S247 CarbonylContact O-C 3.46Å; L241-S247 VanDerWaalsContact O-CA 3.27Å; L241-S247 WeakPolarHBondContact O-CA 3.46Å; S247-H271 PolarHBondContact N-O 3.32Å; S247-E272 WeakPolarHBondContact OG-CA 3.18Å; S247-E272 WeakPolarHBondContact OG-CG 3.21Å; S247-Y273 VanDerWaalsContact CB-O 3.31Å; S247-Y273 WeakPolarHBondContact CB-O 3.37Å; S247-Y273 WeakPolarHBondContact O-CE1 3.48Å; S247-Y273 PolarHBondContact OG-N 3.29Å; S247-Y273 PolarHBondContact OG-O 3.38Å
248E98.4Very high95.6Very high9 Ų930.4 Ų30.44%0.04217%0.17CC..EExtended strand (participates in β ladder)trans-138.8134.9162.7174.9178.4121.200109.5L241 R250 V263 R267L241-E248 HydrophobicContact CB-CB 4.25Å; L241-E248 WeakPolarHBondContact CB-O 3.41Å; L241-E248 HydrophobicContact CD1-CB 4.19Å; L241-E248 HydrophobicContact CD1-CG 4.14Å; L241-E248 PolarHBondContact N-O 3.3Å; L241-E248 PolarHBondContact O-N 3.32Å; E248-R250 IonicContact OE1-CZ 3.94Å; E248-R250 VanDerWaalsContact OE1-CZ 3.23Å; E248-R250 IonicContact OE1-NE 3.72Å; E248-R250 PolarHBondContact OE1-NE 2.8Å; E248-R250 IonicContact OE1-NH2 3.78Å; E248-R250 PolarHBondContact OE1-NH2 3.18Å; E248-V263 HydrophobicContact CG-CG1 4.38Å; E248-R267 HydrophobicContact CB-CB 3.97Å; E248-R267 IonicContact OE1-NH2 3Å; E248-R267 PolarHBondContact OE1-NH2 3.17Å; E248-R267 IonicContact OE2-CZ 3.28Å; E248-R267 PolarHBondContact OE2-N 2.84Å; E248-R267 IonicContact OE2-NE 3.6Å; E248-R267 PolarHBondContact OE2-NE 2.8Å; E248-R267 IonicContact OE2-NH2 3Å
249V98.3Very high95.4Very high1 Ų130.8 Ų30.81%0.00617%0.173CC..EExtended strand (participates in β ladder)trans-112.7132.4176.8174.90000109.8V238 L251 F264 Y273 L275V238-V249 HydrophobicContact CG1-CG1 3.42Å; V238-V249 VanDerWaalsContact CG1-CG1 3.42Å; V249-L251 HydrophobicContact CG1-CD2 3.89Å; V249-L251 HydrophobicContact CG1-CG 4.41Å; V249-F264 HydrophobicContact CB-CB 4.28Å; V249-F264 HydrophobicContact CG1-CB 4.28Å; V249-F264 WeakPolarHBondContact O-CB 3.34Å; V249-F264 PolarHBondContact O-N 2.82Å; V249-Y273 HydrophobicContact CB-CE2 3.77Å; V249-Y273 HydrophobicContact CG2-CD2 4.19Å; V249-Y273 HydrophobicContact CG2-CE2 3.48Å; V249-Y273 VanDerWaalsContact CG2-CE2 3.48Å; V249-Y273 PolarHBondContact N-OH 3.33Å; V249-L275 HydrophobicContact CB-CD2 3.97Å; V249-L275 HydrophobicContact CG1-CD1 4.45Å; V249-L275 HydrophobicContact CG1-CD2 3.54Å; V249-L275 HydrophobicContact CG1-CG 3.96Å; V249-L275 HydrophobicContact CG2-CD2 4.21Å; V249-L275 HydrophobicContact CG2-CG 4.31Å
250R98.2Very high95.3Very high54 Ų5436.9 Ų36.920%0.20420%0.202CC..EExtended strand (participates in β ladder)trans-117.2143.8167.7-50.7177.6170.3-122.2-3.7109.6Y217 I239 E248 P261 F262 V263Y217-R250 VanDerWaalsContact CE2-NE 3.33Å; I239-R250 HydrophobicContact CB-CB 4.18Å; I239-R250 PolarHBondContact N-O 3.19Å; I239-R250 PolarHBondContact O-N 3Å; E248-R250 IonicContact OE1-CZ 3.94Å; E248-R250 VanDerWaalsContact OE1-CZ 3.23Å; E248-R250 IonicContact OE1-NE 3.72Å; E248-R250 PolarHBondContact OE1-NE 2.8Å; E248-R250 IonicContact OE1-NH2 3.78Å; E248-R250 PolarHBondContact OE1-NH2 3.18Å; R250-P261 HydrophobicContact CB-CB 4.23Å; R250-F262 CarbonylContact C-O 3.59Å; R250-F262 VanDerWaalsContact CA-O 3.27Å; R250-F262 WeakPolarHBondContact CA-O 3.33Å; R250-V263 HydrophobicContact CG-CG2 4.21Å
251L98Very high95.2Very high0 Ų036.5 Ų36.50%020%0.202CC..EExtended strand (participates in β ladder)trans-116.7140.2-176.8-59.6179.4000110.5Y236 V238 V249 P261 F262 F264 L275 F282Y236-L251 HydrophobicContact CD1-CB 4.11Å; Y236-L251 HydrophobicContact CD1-CD1 4.37Å; Y236-L251 HydrophobicContact CG-CD1 4.37Å; V238-L251 HydrophobicContact CB-CD2 4.37Å; V238-L251 HydrophobicContact CG1-CD2 4.2Å; V238-L251 HydrophobicContact CG2-CD2 3.85Å; V249-L251 HydrophobicContact CG1-CD2 3.89Å; V249-L251 HydrophobicContact CG1-CG 4.41Å; L251-P261 WeakPolarHBondContact O-CA 3.47Å; L251-F262 HydrophobicContact CB-CD1 4.4Å; L251-F262 HydrophobicContact CB-CD2 4.37Å; L251-F262 HydrophobicContact CB-CE1 3.83Å; L251-F262 HydrophobicContact CB-CE2 3.81Å; L251-F262 HydrophobicContact CB-CZ 3.51Å; L251-F262 HydrophobicContact CD1-CE2 3.85Å; L251-F262 HydrophobicContact CD1-CZ 3.92Å; L251-F262 HydrophobicContact CG-CE2 4.27Å; L251-F262 HydrophobicContact CG-CZ 4.31Å; L251-F262 PolarHBondContact N-O 3.4Å; L251-F262 WeakPolarHBondContact O-CD1 3.5Å; L251-F262 WeakPolarHBondContact O-CE1 3.32Å; L251-F262 PolarHBondContact O-N 3.32Å; L251-F264 HydrophobicContact CD1-CB 4.4Å; L251-F264 HydrophobicContact CD1-CD2 3.73Å; L251-F264 HydrophobicContact CD1-CG 4.49Å; L251-F264 HydrophobicContact CG-CB 4.44Å; L251-L275 HydrophobicContact CD2-CD1 4.14Å; L251-F282 HydrophobicContact CD1-CE1 3.57Å; L251-F282 HydrophobicContact CD1-CZ 3.75Å
252L97.7Very high95.2Very high0 Ų040 Ų400%022%0.217CC..EExtended strand (participates in β ladder)trans-115.7136.4168.3-65.5155.1000107.7Y187 I216 Y236 V237 I239 A254 A259 P261Y187-L252 HydrophobicContact CD1-CD1 4.01Å; Y187-L252 HydrophobicContact CE1-CD1 3.75Å; I216-L252 HydrophobicContact CG2-CD1 4.3Å; I216-L252 HydrophobicContact CG2-CD2 3.93Å; Y236-L252 CarbonylContact C-O 3.59Å; Y236-L252 VanDerWaalsContact CA-O 3.26Å; Y236-L252 WeakPolarHBondContact CA-O 3.42Å; V237-L252 HydrophobicContact CB-CB 4.11Å; V237-L252 HydrophobicContact CB-CD1 4.22Å; V237-L252 HydrophobicContact CG1-CD1 4.23Å; V237-L252 PolarHBondContact N-O 3.33Å; V237-L252 PolarHBondContact O-N 2.88Å; I239-L252 HydrophobicContact CD1-CD1 3.99Å; I239-L252 HydrophobicContact CD1-CG 4.47Å; I239-L252 HydrophobicContact CG1-CD1 4.11Å; L252-A254 PolarHBondContact O-N 3.35Å; L252-A259 HydrophobicContact CB-CB 4.29Å; L252-A259 HydrophobicContact CD2-CB 4.19Å; L252-A259 WeakPolarHBondContact CD2-O 3.39Å; L252-P261 HydrophobicContact CD2-CB 3.86Å; L252-P261 HydrophobicContact CD2-CG 4.36Å; L252-P261 HydrophobicContact CG-CB 4.17Å
253D97.2Very high95.2Very high44 Ų4440.7 Ų40.724%0.23522%0.219CC..EExtended strand (participates in β ladder)trans-70.3117.3170.8-167.4-33.1000109.5E255 M256 A259D253-E255 PolarHBondContact O-N 2.84Å; D253-E255 WeakPolarHBondContact OD1-CB 3.19Å; D253-E255 PolarHBondContact OD1-N 3.32Å; D253-M256 HydrophobicContact CB-CB 4.37Å; D253-M256 HydrophobicContact CB-CG 4.22Å; D253-M256 HydrophobicContact CB-SD 4.33Å; D253-M256 PolarHBondContact O-N 3.36Å; D253-A259 HydrophobicContact CB-CB 4.31Å; D253-A259 VanDerWaalsContact O-CB 3.28Å; D253-A259 WeakPolarHBondContact O-CB 3.3Å
254A96.9Very high95.4Very high2 Ų240.2 Ų40.22%0.01722%0.215CC..THydrogen-bonded Turntrans-75-8.9-176.500000113.5N181 K234 H235 V237 L252N181-A254 WeakPolarHBondContact CB-O 3.24Å; N181-A254 PolarHBondContact N-O 3.41Å; K234-A254 WeakPolarHBondContact O-CB 3.35Å; H235-A254 WeakPolarHBondContact O-CB 3.44Å; H235-A254 PolarHBondContact O-N 3.02Å; V237-A254 HydrophobicContact CG2-CB 4.06Å; L252-A254 PolarHBondContact O-N 3.35Å
255E95Very high95.7Very high120 Ų12039.2 Ų39.256%0.56120%0.204SC*.THydrogen-bonded Turntrans-90-14.1175.1-59.5-66.116600112.8N181 D253N181-E255 VanDerWaalsContact ND2-CD 3.28Å; N181-E255 PolarHBondContact ND2-OE1 3.37Å; D253-E255 PolarHBondContact O-N 2.84Å; D253-E255 WeakPolarHBondContact OD1-CB 3.19Å; D253-E255 PolarHBondContact OD1-N 3.32Å
256M93.7Very high96Very high104 Ų10442.6 Ų42.651%0.51223%0.226SC..  trans-106.4115.3-178.2-62.5-175.7-175.600111D253 D258 A259D253-M256 HydrophobicContact CB-CB 4.37Å; D253-M256 HydrophobicContact CB-CG 4.22Å; D253-M256 HydrophobicContact CB-SD 4.33Å; D253-M256 PolarHBondContact O-N 3.36Å; M256-D258 PolarHBondContact O-N 2.64Å; M256-D258 VanDerWaalsContact O-N 3.11Å; M256-A259 HydrophobicContact CB-CB 4.07Å; M256-A259 WeakPolarHBondContact O-CB 3.43Å; M256-A259 PolarHBondContact O-N 2.9Å; M256-A259 VanDerWaalsContact O-N 3.11Å
257A84.6Confident96Very high52 Ų5245.7 Ų45.743%0.4324%0.237SC..THydrogen-bonded Turntrans-59.4-24.9-179.400000113.8R203R203-A257 WeakPolarHBondContact CD-O 3.39Å; R203-A257 PolarHBondContact NE-O 3.2Å; R203-A257 PolarHBondContact NH1-O 3.07Å
258D90Very high95.9Very high117 Ų11751 Ų5163%0.62626%0.257SS*.THydrogen-bonded Turntrans-108.816.1179.365.8-22.2000114.9R203 M256 E260R203-D258 PolarHBondContact NH2-O 3.34Å; M256-D258 PolarHBondContact O-N 2.64Å; M256-D258 VanDerWaalsContact O-N 3.11Å; D258-E260 PolarHBondContact O-N 3.38Å
259A94.4Very high95.7Very high8 Ų856.4 Ų56.47%0.06628%0.281CS..PPolyproline II helixtrans-50.9124.7-176.300000114.1R203 L252 D253 M256R203-A259 PolarHBondContact NH2-O 3.32Å; L252-A259 HydrophobicContact CB-CB 4.29Å; L252-A259 HydrophobicContact CD2-CB 4.19Å; L252-A259 WeakPolarHBondContact CD2-O 3.39Å; D253-A259 HydrophobicContact CB-CB 4.31Å; D253-A259 VanDerWaalsContact O-CB 3.28Å; D253-A259 WeakPolarHBondContact O-CB 3.3Å; M256-A259 HydrophobicContact CB-CB 4.07Å; M256-A259 WeakPolarHBondContact O-CB 3.43Å; M256-A259 PolarHBondContact O-N 2.9Å; M256-A259 VanDerWaalsContact O-N 3.11Å
260E96.1Very high95.5Very high129 Ų12960.9 Ų60.960%0.60330%0.304SS*.PPolyproline II helixtrans-91.7142.5171.3-68.5-58.7139.600111.1R203 D258 F262R203-E260 IonicContact NH2-OE1 3.94Å; D258-E260 PolarHBondContact O-N 3.38Å; E260-F262 PolarHBondContact O-N 3.09Å
261P97.3Very high95.5Very high26 Ų2658.5 Ų58.517%0.16930%0.296CS..PPolyproline II helixtrans-73.3131.8-174.729-32.8000110.9I216 I239 R250 L251 L252I216-P261 HydrophobicContact CG2-CG 3.94Å; I239-P261 HydrophobicContact CD1-CB 3.92Å; I239-P261 HydrophobicContact CD1-CG 4.49Å; R250-P261 HydrophobicContact CB-CB 4.23Å; L251-P261 WeakPolarHBondContact O-CA 3.47Å; L252-P261 HydrophobicContact CD2-CB 3.86Å; L252-P261 HydrophobicContact CD2-CG 4.36Å; L252-P261 HydrophobicContact CG-CB 4.17Å
262F96.6Very high95.4Very high73 Ų7361 Ų6132%0.3231%0.307SS..EExtended strand (participates in β ladder)trans-114.3141.2171.764-89.9000111.3Y236 R250 L251 E260 F264Y236-F262 HydrophobicContact CD1-CZ 4.49Å; Y236-F262 HydrophobicContact CE1-CE1 4.46Å; Y236-F262 HydrophobicContact CE1-CZ 4.04Å; R250-F262 CarbonylContact C-O 3.59Å; R250-F262 VanDerWaalsContact CA-O 3.27Å; R250-F262 WeakPolarHBondContact CA-O 3.33Å; L251-F262 HydrophobicContact CB-CD1 4.4Å; L251-F262 HydrophobicContact CB-CD2 4.37Å; L251-F262 HydrophobicContact CB-CE1 3.83Å; L251-F262 HydrophobicContact CB-CE2 3.81Å; L251-F262 HydrophobicContact CB-CZ 3.51Å; L251-F262 HydrophobicContact CD1-CE2 3.85Å; L251-F262 HydrophobicContact CD1-CZ 3.92Å; L251-F262 HydrophobicContact CG-CE2 4.27Å; L251-F262 HydrophobicContact CG-CZ 4.31Å; L251-F262 PolarHBondContact N-O 3.4Å; L251-F262 WeakPolarHBondContact O-CD1 3.5Å; L251-F262 WeakPolarHBondContact O-CE1 3.32Å; L251-F262 PolarHBondContact O-N 3.32Å; E260-F262 PolarHBondContact O-N 3.09Å; F262-F264 PolarHBondContact O-N 2.77Å
263V97.4Very high95.4Very high38 Ų3861 Ų6123%0.2331%0.307CS..EExtended strand (participates in β ladder)trans-68.1129.5178.3179.40000109.8E248 R250 L265 P266 R301E248-V263 HydrophobicContact CG-CG1 4.38Å; R250-V263 HydrophobicContact CG-CG2 4.21Å; V263-L265 VanDerWaalsContact CG1-C 3.46Å; V263-P266 HydrophobicContact CG1-CB 4.41Å; V263-P266 HydrophobicContact CG1-CG 4.05Å; V263-R301 WeakPolarHBondContact O-CD 3.43Å; V263-R301 PolarHBondContact O-NH1 2.8Å
264F97.8Very high95.4Very high6 Ų660.9 Ų60.93%0.02631%0.31CS..EExtended strand (participates in β ladder)trans-76-58.4171.3-174.2-90.1000110.2V249 L251 F262 Y273 L275 F282 L284 T298 R301 W306V249-F264 HydrophobicContact CB-CB 4.28Å; V249-F264 HydrophobicContact CG1-CB 4.28Å; V249-F264 WeakPolarHBondContact O-CB 3.34Å; V249-F264 PolarHBondContact O-N 2.82Å; L251-F264 HydrophobicContact CD1-CB 4.4Å; L251-F264 HydrophobicContact CD1-CD2 3.73Å; L251-F264 HydrophobicContact CD1-CG 4.49Å; L251-F264 HydrophobicContact CG-CB 4.44Å; F262-F264 PolarHBondContact O-N 2.77Å; F264-Y273 HydrophobicContact CD1-CE2 4.23Å; F264-L275 HydrophobicContact CB-CD2 4.11Å; F264-L275 HydrophobicContact CD1-CD2 3.77Å; F264-L275 HydrophobicContact CD2-CD2 3.92Å; F264-L275 HydrophobicContact CE1-CD2 4.18Å; F264-L275 HydrophobicContact CE2-CD2 4.3Å; F264-L275 HydrophobicContact CG-CD2 3.63Å; F264-L275 HydrophobicContact CZ-CD2 4.42Å; F264-F282 HydrophobicContact CD2-CD1 4.44Å; F264-F282 HydrophobicContact CD2-CE1 4.33Å; F264-F282 HydrophobicContact CD2-CZ 4.42Å; F264-F282 HydrophobicContact CE2-CB 4.25Å; F264-F282 AromaticContact CE2-CD1 3.81Å; F264-F282 HydrophobicContact CE2-CD1 3.81Å; F264-F282 AromaticContact CE2-CD2 3.65Å; F264-F282 HydrophobicContact CE2-CD2 3.65Å; F264-F282 HydrophobicContact CE2-CE1 4.01Å; F264-F282 AromaticContact CE2-CE2 3.87Å; F264-F282 HydrophobicContact CE2-CE2 3.87Å; F264-F282 AromaticContact CE2-CG 3.62Å; F264-F282 HydrophobicContact CE2-CG 3.62Å; F264-F282 HydrophobicContact CE2-CZ 4.04Å; F264-F282 HydrophobicContact CZ-CB 4.14Å; F264-F282 HydrophobicContact CZ-CD1 4.45Å; F264-F282 HydrophobicContact CZ-CD2 4.23Å; F264-F282 HydrophobicContact CZ-CG 4.01Å; F264-L284 HydrophobicContact CD1-CD2 4.24Å; F264-L284 HydrophobicContact CE1-CD2 3.48Å; F264-L284 VanDerWaalsContact CE1-CD2 3.48Å; F264-L284 HydrophobicContact CZ-CD1 4.46Å; F264-L284 HydrophobicContact CZ-CD2 4.09Å; F264-T298 HydrophobicContact CZ-CG2 4.09Å; F264-R301 HydrophobicContact CD2-CG 3.86Å; F264-R301 HydrophobicContact CE2-CG 3.99Å; F264-R301 HydrophobicContact CG-CG 4.38Å; F264-R301 WeakPolarHBondContact O-CB 3.41Å; F264-R301 WeakPolarHBondContact O-CD 3.17Å; F264-W306 AromaticContact CE1-CZ2 3.73Å; F264-W306 HydrophobicContact CE1-CZ2 3.73Å
265L97Very high95.5Very high21 Ų2161.2 Ų61.211%0.1131%0.311CS..EExtended strand (participates in β ladder)trans-140.8126171.7-176.472.2000109.1V263 H271 Y273 E303 W306V263-L265 VanDerWaalsContact CG1-C 3.46Å; L265-H271 VanDerWaalsContact CD2-CE1 3.45Å; L265-H271 WeakPolarHBondContact CD2-CE1 3.2Å; L265-Y273 HydrophobicContact CB-CE1 4.25Å; L265-Y273 WeakPolarHBondContact CB-OH 3.24Å; L265-Y273 HydrophobicContact CD2-CE1 4.27Å; L265-Y273 PolarHBondContact N-OH 3.23Å; L265-Y273 PolarHBondContact O-OH 3.03Å; L265-E303 HydrophobicContact CD1-CB 4.31Å; L265-W306 HydrophobicContact CD2-CH2 3.73Å; L265-W306 HydrophobicContact CD2-CZ2 4.04Å
266P96.4Very high95.6Very high86 Ų8656.5 Ų56.556%0.55829%0.29SS*.  trans-60.1148179.1-21.933000112.2V263V263-P266 HydrophobicContact CG1-CB 4.41Å; V263-P266 HydrophobicContact CG1-CG 4.05Å
267R96.5Very high95.9Very high66 Ų6652 Ų5225%0.24927%0.267CS..  trans-55.2140.8174.763.2-166.973.5-173.63.7112.2E219 Y224 L241 T246 E248E219-R267 IonicContact OE1-NH1 2.72Å; E219-R267 PolarHBondContact OE1-NH1 2.92Å; E219-R267 IonicContact OE1-NH2 3.8Å; E219-R267 IonicContact OE2-CZ 3.7Å; E219-R267 VanDerWaalsContact OE2-CZ 3.28Å; E219-R267 IonicContact OE2-NH1 3.74Å; E219-R267 PolarHBondContact OE2-NH1 3.24Å; E219-R267 IonicContact OE2-NH2 3.28Å; E219-R267 PolarHBondContact OE2-NH2 3.24Å; Y224-R267 VanDerWaalsContact CD2-NH1 3.34Å; L241-R267 VanDerWaalsContact CD1-NH2 3.3Å; T246-R267 HydrophobicContact CG2-CB 3.85Å; E248-R267 HydrophobicContact CB-CB 3.97Å; E248-R267 IonicContact OE1-NH2 3Å; E248-R267 PolarHBondContact OE1-NH2 3.17Å; E248-R267 IonicContact OE2-CZ 3.28Å; E248-R267 PolarHBondContact OE2-N 2.84Å; E248-R267 IonicContact OE2-NE 3.6Å; E248-R267 PolarHBondContact OE2-NE 2.8Å; E248-R267 IonicContact OE2-NH2 3Å
268R96.2Very high96.5Very high114 Ų11449.9 Ų49.943%0.4325%0.248SC..  trans-137.3128.6171.2176.4175.164.8-141.93.6107.3T246 D270 H271 E303T246-R268 WeakPolarHBondContact CG2-O 3.36Å; R268-D270 PolarHBondContact O-N 3.34Å; R268-H271 HydrophobicContact CB-CB 4.13Å; R268-H271 PolarHBondContact NH2-CE1 2.85Å; R268-H271 PolarHBondContact NH2-ND1 2.84Å; R268-H271 VanDerWaalsContact O-CB 3.24Å; R268-H271 WeakPolarHBondContact O-CB 3.4Å; R268-H271 PolarHBondContact O-N 3.03Å; R268-E303 IonicContact CZ-OE1 3.28Å; R268-E303 IonicContact CZ-OE2 3.8Å; R268-E303 IonicContact NH1-OE1 3.49Å; R268-E303 IonicContact NH1-OE2 2.74Å; R268-E303 PolarHBondContact NH1-OE2 3.14Å; R268-E303 IonicContact NH2-OE1 2.95Å; R268-E303 PolarHBondContact NH2-OE1 3.34Å; R268-E303 IonicContact NH2-OE2 3Å; R268-E303 PolarHBondContact NH2-OE2 2.79Å
269K95Very high96.8Very high124 Ų12448.1 Ų48.154%0.53924%0.236SC..THydrogen-bonded Turntrans-49.6133.8-177.5-176.563.7-178.9-176.60111.2T246 H271 E578T246-K269 WeakPolarHBondContact OG1-CA 3.31Å; K269-H271 PolarHBondContact O-N 2.85Å; K269-E578 IonicContact NZ-OE1 3.66Å; K269-E578 PolarHBondContact NZ-OE1 3.4Å
270D93.9Very high96.8Very high94 Ų9454.5 Ų54.550%0.50327%0.265SS..THydrogen-bonded Turntrans65.414.5179.8-52.5-33.6000115T245 T246 R268 N287T245-D270 WeakPolarHBondContact CB-OD1 3.26Å; T245-D270 CarbonylContact O-C 3.57Å; T245-D270 VanDerWaalsContact O-C 3.29Å; T245-D270 VanDerWaalsContact O-CA 3.24Å; T245-D270 WeakPolarHBondContact O-CA 3.29Å; T245-D270 PolarHBondContact OG1-OD1 2.79Å; T246-D270 PolarHBondContact OG1-N 3.27Å; R268-D270 PolarHBondContact O-N 3.34Å; D270-N287 PolarHBondContact O-ND2 3.11Å
271H97.2Very high96.8Very high5 Ų551.6 Ų51.62%0.02325%0.248CC..  trans-102.7103.9170.7-175.4-168.3000110.5T245 S247 L265 R268 K269 S286 N287 E303T245-H271 PolarHBondContact O-N 2.83Å; S247-H271 PolarHBondContact N-O 3.32Å; L265-H271 VanDerWaalsContact CD2-CE1 3.45Å; L265-H271 WeakPolarHBondContact CD2-CE1 3.2Å; R268-H271 HydrophobicContact CB-CB 4.13Å; R268-H271 PolarHBondContact NH2-CE1 2.85Å; R268-H271 PolarHBondContact NH2-ND1 2.84Å; R268-H271 VanDerWaalsContact O-CB 3.24Å; R268-H271 WeakPolarHBondContact O-CB 3.4Å; R268-H271 PolarHBondContact O-N 3.03Å; K269-H271 PolarHBondContact O-N 2.85Å; H271-S286 PolarHBondContact CD2-OG 3.1Å; H271-S286 PolarHBondContact NE2-OG 3.15Å; H271-N287 WeakPolarHBondContact CA-OD1 3.48Å; H271-N287 PolarHBondContact CD2-OD1 2.93Å; H271-E303 IonicContact CE1-OE1 3.21Å; H271-E303 PolarHBondContact CE1-OE1 3.05Å
272E97.5Very high96.9Very high52 Ų5251.1 Ų51.124%0.24324%0.243CC..  trans-94.8134.4171.1-169.8-168.1133.600109.7S247 R285 S286 N287 F293S247-E272 WeakPolarHBondContact OG-CA 3.18Å; S247-E272 WeakPolarHBondContact OG-CG 3.21Å; E272-R285 IonicContact OE1-CZ 2.72Å; E272-R285 IonicContact OE1-NH1 3.05Å; E272-R285 PolarHBondContact OE1-NH1 2.86Å; E272-S286 WeakPolarHBondContact O-CA 3.25Å; E272-S286 PolarHBondContact O-OG 3.5Å; E272-N287 PolarHBondContact N-ND2 3.12Å; E272-N287 PolarHBondContact N-OD1 2.98Å; E272-N287 PolarHBondContact O-N 2.94Å; E272-N287 VanDerWaalsContact O-N 3.11Å; E272-N287 PolarHBondContact O-OD1 3.38Å; E272-F293 HydrophobicContact CB-CE1 3.84Å; E272-F293 HydrophobicContact CB-CZ 4.02Å; E272-F293 HydrophobicContact CG-CE1 3.95Å; E272-F293 HydrophobicContact CG-CZ 4.14Å; E272-F293 WeakPolarHBondContact OE1-CE1 3.47Å; E272-F293 WeakPolarHBondContact OE1-CZ 3.35Å; E272-F293 WeakPolarHBondContact OE2-CZ 3.43Å
273Y97.8Very high97Very high1 Ų147.8 Ų47.80%0.00423%0.229CC..EExtended strand (participates in β ladder)trans-153145.1168.475.1-81.5000112.4S247 V249 F264 L265 L275 L284 R285S247-Y273 VanDerWaalsContact CB-O 3.31Å; S247-Y273 WeakPolarHBondContact CB-O 3.37Å; S247-Y273 WeakPolarHBondContact O-CE1 3.48Å; S247-Y273 PolarHBondContact OG-N 3.29Å; S247-Y273 PolarHBondContact OG-O 3.38Å; V249-Y273 HydrophobicContact CB-CE2 3.77Å; V249-Y273 HydrophobicContact CG2-CD2 4.19Å; V249-Y273 HydrophobicContact CG2-CE2 3.48Å; V249-Y273 VanDerWaalsContact CG2-CE2 3.48Å; V249-Y273 PolarHBondContact N-OH 3.33Å; F264-Y273 HydrophobicContact CD1-CE2 4.23Å; L265-Y273 HydrophobicContact CB-CE1 4.25Å; L265-Y273 WeakPolarHBondContact CB-OH 3.24Å; L265-Y273 HydrophobicContact CD2-CE1 4.27Å; L265-Y273 PolarHBondContact N-OH 3.23Å; L265-Y273 PolarHBondContact O-OH 3.03Å; Y273-L275 HydrophobicContact CE2-CD2 4.38Å; Y273-L284 HydrophobicContact CD2-CD2 4.01Å; Y273-L284 HydrophobicContact CE2-CD2 4.44Å; Y273-R285 WeakPolarHBondContact CA-O 3.35Å; Y273-R285 WeakPolarHBondContact CB-O 3.35Å
274S97.3Very high97Very high41 Ų4146 Ų4629%0.28722%0.218SC..EExtended strand (participates in β ladder)trans-120.1155.7165.163.50000109.3L284 R285S274-L284 VanDerWaalsContact O-CA 3.3Å; S274-L284 WeakPolarHBondContact O-CA 3.44Å; S274-R285 PolarHBondContact N-O 3.33Å; S274-R285 PolarHBondContact O-N 2.69Å
275L97.6Very high97Very high9 Ų946.6 Ų46.65%0.04722%0.22CC..EExtended strand (participates in β ladder)trans-133.7158.4179.670.577.6000112.5T231 V238 V249 L251 F264 Y273 F282 Y283 L284T231-L275 HydrophobicContact CG2-CD1 4.42Å; V238-L275 HydrophobicContact CG2-CD1 4.27Å; V249-L275 HydrophobicContact CB-CD2 3.97Å; V249-L275 HydrophobicContact CG1-CD1 4.45Å; V249-L275 HydrophobicContact CG1-CD2 3.54Å; V249-L275 HydrophobicContact CG1-CG 3.96Å; V249-L275 HydrophobicContact CG2-CD2 4.21Å; V249-L275 HydrophobicContact CG2-CG 4.31Å; L251-L275 HydrophobicContact CD2-CD1 4.14Å; F264-L275 HydrophobicContact CB-CD2 4.11Å; F264-L275 HydrophobicContact CD1-CD2 3.77Å; F264-L275 HydrophobicContact CD2-CD2 3.92Å; F264-L275 HydrophobicContact CE1-CD2 4.18Å; F264-L275 HydrophobicContact CE2-CD2 4.3Å; F264-L275 HydrophobicContact CG-CD2 3.63Å; F264-L275 HydrophobicContact CZ-CD2 4.42Å; Y273-L275 HydrophobicContact CE2-CD2 4.38Å; L275-F282 HydrophobicContact CD1-CD1 4.2Å; L275-Y283 CarbonylContact C-O 3.56Å; L275-Y283 VanDerWaalsContact CA-O 3.22Å; L275-Y283 WeakPolarHBondContact CA-O 3.41Å; L275-L284 HydrophobicContact CB-CD2 4Å; L275-L284 HydrophobicContact CB-CG 3.93Å
276D98.3Very high97.1Very high20 Ų2045.6 Ų45.611%0.10722%0.215CC..EExtended strand (participates in β ladder)trans-136164163.2-168.412.2000109T231 T232 F282 Y283 F321 L323T231-D276 VanDerWaalsContact CA-OD1 3.25Å; T231-D276 WeakPolarHBondContact CA-OD1 3.39Å; T231-D276 WeakPolarHBondContact CB-OD1 3.4Å; T232-D276 WeakPolarHBondContact CB-OD2 3.2Å; T232-D276 PolarHBondContact N-OD1 3.34Å; T232-D276 PolarHBondContact OG1-OD1 2.68Å; T232-D276 PolarHBondContact OG1-OD2 3.01Å; D276-F282 CarbonylContact O-C 3.48Å; D276-F282 VanDerWaalsContact O-CA 3.3Å; D276-F282 WeakPolarHBondContact O-CA 3.46Å; D276-Y283 PolarHBondContact N-O 3.34Å; D276-Y283 PolarHBondContact O-N 3.36Å; D276-F321 HydrophobicContact CB-CE2 3.9Å; D276-F321 HydrophobicContact CB-CZ 3.86Å; D276-L323 HydrophobicContact CB-CD1 4.31Å
277H98.2Very high97.1Very high9 Ų942.8 Ų42.84%0.04220%0.195CC..EExtended strand (participates in β ladder)trans-130.8127.1176.6179.4-91.6000110.4T231 S233 H235 Y236 R281 F282T231-H277 HydrophobicContact CG2-CB 3.78Å; S233-H277 WeakPolarHBondContact CB-ND1 3.27Å; S233-H277 WeakPolarHBondContact CB-O 3.49Å; S233-H277 PolarHBondContact N-O 2.78Å; S233-H277 PolarHBondContact OG-ND1 3.5Å; S233-H277 PolarHBondContact OG-O 3.39Å; H235-H277 AromaticContact ND1-CE1 3.88Å; Y236-H277 HydrophobicContact CD2-CB 3.98Å; Y236-H277 AromaticContact CD2-CG 3.83Å; Y236-H277 AromaticContact CD2-ND1 3.97Å; Y236-H277 HydrophobicContact CE2-CB 4.39Å; Y236-H277 AromaticContact CE2-CD2 3.84Å; Y236-H277 AromaticContact CE2-CE1 3.97Å; Y236-H277 AromaticContact CE2-CG 3.79Å; Y236-H277 AromaticContact CE2-ND1 3.87Å; Y236-H277 AromaticContact CE2-NE2 3.99Å; H277-R281 WeakPolarHBondContact CA-O 3.34Å; H277-R281 VanDerWaalsContact CD2-C 3.5Å; H277-R281 PolarHBondContact CD2-O 3.38Å; H277-R281 VanDerWaalsContact CD2-O 3.27Å; H277-F282 HydrophobicContact CB-CD1 3.81Å; H277-F282 HydrophobicContact CB-CE1 3.84Å; H277-F282 AromaticContact CD2-CD1 3.81Å; H277-F282 AromaticContact CD2-CE1 3.7Å; H277-F282 AromaticContact CD2-CE2 3.94Å; H277-F282 AromaticContact CD2-CG 3.99Å; H277-F282 AromaticContact CD2-CZ 3.77Å
278Y97.9Very high97.1Very high8 Ų841.8 Ų41.83%0.03119%0.191CC..EExtended strand (participates in β ladder)trans-154.9141.2179.2-173.4-122.8000111T232 H280 R281 L323 F324 T325 P370 E371T232-Y278 HydrophobicContact CG2-CD2 3.62Å; T232-Y278 HydrophobicContact CG2-CE2 4.16Å; T232-Y278 HydrophobicContact CG2-CG 3.99Å; Y278-H280 VanDerWaalsContact C-N 3.33Å; Y278-H280 PolarHBondContact O-N 3.05Å; Y278-R281 PolarHBondContact N-O 2.82Å; Y278-R281 PolarHBondContact O-N 3.25Å; Y278-L323 HydrophobicContact CD1-CB 3.96Å; Y278-L323 HydrophobicContact CG-CB 4.36Å; Y278-L323 HydrophobicContact CG-CD1 4.46Å; Y278-F324 WeakPolarHBondContact CE1-O 3.5Å; Y278-T325 WeakPolarHBondContact OH-CA 3.19Å; Y278-P370 HydrophobicContact CD2-CB 4.43Å; Y278-P370 HydrophobicContact CD2-CG 4.36Å; Y278-P370 HydrophobicContact CE1-CB 4.4Å; Y278-P370 HydrophobicContact CE2-CB 3.76Å; Y278-P370 HydrophobicContact CE2-CG 3.63Å; Y278-E371 WeakPolarHBondContact CE2-OE1 3.46Å; Y278-E371 PolarHBondContact OH-OE1 3.29Å; Y278-E371 PolarHBondContact OH-OE2 2.85Å
279Q95.7Very high97Very high80 Ų8042.1 Ų42.137%0.37420%0.198SC..THydrogen-bonded Turntrans46.551.3-178.6-65.3178.2-5.500113.7R281 T325 R345Q279-R281 VanDerWaalsContact C-N 3.29Å; Q279-R281 PolarHBondContact O-N 3.17Å; Q279-T325 PolarHBondContact NE2-O 2.75Å; Q279-R345 VanDerWaalsContact OE1-CZ 3.29Å
280H95Very high97.1Very high143 Ų14337.4 Ų37.466%0.66218%0.184SC*.THydrogen-bonded Turntrans61.827176.7-45.9-74.7000115.4Y278Y278-H280 VanDerWaalsContact C-N 3.33Å; Y278-H280 PolarHBondContact O-N 3.05Å
281R97.1Very high97.1Very high67 Ų6737.5 Ų37.525%0.25318%0.18SC..EExtended strand (participates in β ladder)trans-139.9146.6175.7-62.3-173.9-175.7-158.60.7110.4H277 Y278 Q279 Y283 R297 T298 R299H277-R281 WeakPolarHBondContact CA-O 3.34Å; H277-R281 VanDerWaalsContact CD2-C 3.5Å; H277-R281 PolarHBondContact CD2-O 3.38Å; H277-R281 VanDerWaalsContact CD2-O 3.27Å; Y278-R281 PolarHBondContact N-O 2.82Å; Y278-R281 PolarHBondContact O-N 3.25Å; Q279-R281 VanDerWaalsContact C-N 3.29Å; Q279-R281 PolarHBondContact O-N 3.17Å; R281-Y283 HydrophobicContact CB-CE2 4.11Å; R281-R297 HydrophobicContact CB-CG 4.3Å; R281-R297 VanDerWaalsContact NH1-NH2 3.16Å; R281-T298 WeakPolarHBondContact CA-O 3.25Å; R281-R299 HydrophobicContact CG-CG 4.13Å
282F98.2Very high97.1Very high16 Ų1637.7 Ų37.77%0.0718%0.181CC..EExtended strand (participates in β ladder)trans-86.7140.2166.3-64.1-81.9000109.7Y236 L251 F264 L275 D276 H277 L284 R297 T298Y236-F282 AromaticContact CD2-CE1 3.93Å; Y236-F282 HydrophobicContact CD2-CE1 3.93Å; Y236-F282 HydrophobicContact CD2-CZ 4.08Å; Y236-F282 AromaticContact CE2-CE1 3.83Å; Y236-F282 HydrophobicContact CE2-CE1 3.83Å; Y236-F282 AromaticContact CE2-CZ 3.51Å; Y236-F282 HydrophobicContact CE2-CZ 3.51Å; Y236-F282 AromaticContact CZ-CZ 3.96Å; L251-F282 HydrophobicContact CD1-CE1 3.57Å; L251-F282 HydrophobicContact CD1-CZ 3.75Å; F264-F282 HydrophobicContact CD2-CD1 4.44Å; F264-F282 HydrophobicContact CD2-CE1 4.33Å; F264-F282 HydrophobicContact CD2-CZ 4.42Å; F264-F282 HydrophobicContact CE2-CB 4.25Å; F264-F282 AromaticContact CE2-CD1 3.81Å; F264-F282 HydrophobicContact CE2-CD1 3.81Å; F264-F282 AromaticContact CE2-CD2 3.65Å; F264-F282 HydrophobicContact CE2-CD2 3.65Å; F264-F282 HydrophobicContact CE2-CE1 4.01Å; F264-F282 AromaticContact CE2-CE2 3.87Å; F264-F282 HydrophobicContact CE2-CE2 3.87Å; F264-F282 AromaticContact CE2-CG 3.62Å; F264-F282 HydrophobicContact CE2-CG 3.62Å; F264-F282 HydrophobicContact CE2-CZ 4.04Å; F264-F282 HydrophobicContact CZ-CB 4.14Å; F264-F282 HydrophobicContact CZ-CD1 4.45Å; F264-F282 HydrophobicContact CZ-CD2 4.23Å; F264-F282 HydrophobicContact CZ-CG 4.01Å; L275-F282 HydrophobicContact CD1-CD1 4.2Å; D276-F282 CarbonylContact O-C 3.48Å; D276-F282 VanDerWaalsContact O-CA 3.3Å; D276-F282 WeakPolarHBondContact O-CA 3.46Å; H277-F282 HydrophobicContact CB-CD1 3.81Å; H277-F282 HydrophobicContact CB-CE1 3.84Å; H277-F282 AromaticContact CD2-CD1 3.81Å; H277-F282 AromaticContact CD2-CE1 3.7Å; H277-F282 AromaticContact CD2-CE2 3.94Å; H277-F282 AromaticContact CD2-CG 3.99Å; H277-F282 AromaticContact CD2-CZ 3.77Å; F282-L284 HydrophobicContact CB-CD1 4.04Å; F282-R297 WeakPolarHBondContact O-CA 3.34Å; F282-T298 HydrophobicContact CB-CG2 3.9Å; F282-T298 PolarHBondContact N-O 3.05Å; F282-T298 PolarHBondContact O-N 2.9Å
283Y98.4Very high97.1Very high4 Ų435.2 Ų35.22%0.01617%0.169CC..EExtended strand (participates in β ladder)trans-117.5131.6172-71.5-98.4000107.7L275 D276 R281 Y296 R297 L309 L323 R345L275-Y283 CarbonylContact C-O 3.56Å; L275-Y283 VanDerWaalsContact CA-O 3.22Å; L275-Y283 WeakPolarHBondContact CA-O 3.41Å; D276-Y283 PolarHBondContact N-O 3.34Å; D276-Y283 PolarHBondContact O-N 3.36Å; R281-Y283 HydrophobicContact CB-CE2 4.11Å; Y283-Y296 CarbonylContact C-O 3.55Å; Y283-Y296 WeakPolarHBondContact CA-O 3.36Å; Y283-R297 HydrophobicContact CE1-CG 4.28Å; Y283-L309 HydrophobicContact CD1-CD1 3.96Å; Y283-L309 HydrophobicContact CE1-CD1 3.78Å; Y283-L323 HydrophobicContact CD1-CD1 4.49Å; Y283-L323 HydrophobicContact CD1-CD2 3.82Å; Y283-L323 HydrophobicContact CD2-CD1 3.4Å; Y283-L323 VanDerWaalsContact CD2-CD1 3.4Å; Y283-L323 HydrophobicContact CD2-CD2 4.09Å; Y283-L323 HydrophobicContact CD2-CG 4.42Å; Y283-L323 HydrophobicContact CE1-CD2 3.91Å; Y283-L323 HydrophobicContact CE2-CD1 3.91Å; Y283-L323 HydrophobicContact CE2-CD2 4.19Å; Y283-L323 HydrophobicContact CG-CD1 3.75Å; Y283-L323 HydrophobicContact CG-CD2 3.91Å; Y283-L323 HydrophobicContact CG-CG 4.46Å; Y283-R345 PolarHBondContact OH-NE 3.12Å; Y283-R345 PolarHBondContact OH-NH2 3.17Å
284L98.3Very high97.2Very high0 Ų035.2 Ų35.20%017%0.169CC..EExtended strand (participates in β ladder)trans-131.2126.5-172.9-57.998.9000111F264 Y273 S274 L275 F282 L295 Y296 T298 W306F264-L284 HydrophobicContact CD1-CD2 4.24Å; F264-L284 HydrophobicContact CE1-CD2 3.48Å; F264-L284 VanDerWaalsContact CE1-CD2 3.48Å; F264-L284 HydrophobicContact CZ-CD1 4.46Å; F264-L284 HydrophobicContact CZ-CD2 4.09Å; Y273-L284 HydrophobicContact CD2-CD2 4.01Å; Y273-L284 HydrophobicContact CE2-CD2 4.44Å; S274-L284 VanDerWaalsContact O-CA 3.3Å; S274-L284 WeakPolarHBondContact O-CA 3.44Å; L275-L284 HydrophobicContact CB-CD2 4Å; L275-L284 HydrophobicContact CB-CG 3.93Å; F282-L284 HydrophobicContact CB-CD1 4.04Å; L284-L295 CarbonylContact O-C 3.57Å; L284-L295 WeakPolarHBondContact O-CA 3.38Å; L284-Y296 PolarHBondContact N-O 2.64Å; L284-Y296 PolarHBondContact O-N 3.03Å; L284-T298 HydrophobicContact CD1-CG2 3.73Å; L284-W306 HydrophobicContact CB-CZ3 4.41Å; L284-W306 HydrophobicContact CD1-CD2 4.35Å; L284-W306 HydrophobicContact CD1-CE3 4.5Å; L284-W306 HydrophobicContact CD2-CE3 4.45Å; L284-W306 HydrophobicContact CD2-CH2 3.55Å; L284-W306 HydrophobicContact CD2-CZ2 3.77Å; L284-W306 HydrophobicContact CD2-CZ3 3.91Å
285R98.4Very high97.2Very high18 Ų1833.2 Ų33.27%0.06816%0.156CC..EExtended strand (participates in β ladder)trans-88.3121.8162.2173.4-174.7170.6-93.37.4106.7E272 Y273 S274 F293 G294 L318 E319 F321E272-R285 IonicContact OE1-CZ 2.72Å; E272-R285 IonicContact OE1-NH1 3.05Å; E272-R285 PolarHBondContact OE1-NH1 2.86Å; Y273-R285 WeakPolarHBondContact CA-O 3.35Å; Y273-R285 WeakPolarHBondContact CB-O 3.35Å; S274-R285 PolarHBondContact N-O 3.33Å; S274-R285 PolarHBondContact O-N 2.69Å; R285-F293 HydrophobicContact CG-CB 3.99Å; R285-F293 HydrophobicContact CG-CD1 3.8Å; R285-F293 HydrophobicContact CG-CG 4.14Å; R285-F293 VanDerWaalsContact NH2-CD2 3.27Å; R285-F293 VanDerWaalsContact NH2-CE2 3.25Å; R285-G294 WeakPolarHBondContact CA-O 3.3Å; R285-L318 HydrophobicContact CG-CD2 4.28Å; R285-L318 PolarHBondContact NE-O 2.9Å; R285-L318 PolarHBondContact NH2-O 3.29Å; R285-E319 VanDerWaalsContact CD-O 3.28Å; R285-E319 WeakPolarHBondContact CD-O 3.3Å; R285-E319 PolarHBondContact NE-O 3.5Å; R285-F321 HydrophobicContact CB-CD1 4.19Å; R285-F321 HydrophobicContact CB-CE1 4.05Å
286S98.1Very high97.3Very high0 Ų032.8 Ų32.80%015%0.153CC..EExtended strand (participates in β ladder)trans-148.7142.3-176.4-177.80000113.6H271 E272 R288 F293 G294H271-S286 PolarHBondContact CD2-OG 3.1Å; H271-S286 PolarHBondContact NE2-OG 3.15Å; E272-S286 WeakPolarHBondContact O-CA 3.25Å; E272-S286 PolarHBondContact O-OG 3.5Å; S286-R288 VanDerWaalsContact C-N 3.27Å; S286-R288 PolarHBondContact O-N 2.91Å; S286-R288 PolarHBondContact OG-N 3.23Å; S286-F293 VanDerWaalsContact C-CD1 3.43Å; S286-F293 WeakPolarHBondContact O-CA 3.46Å; S286-G294 PolarHBondContact N-O 3.12Å; S286-G294 PolarHBondContact O-N 3.23Å
287N97.3Very high97.2Very high28 Ų2833.6 Ų33.615%0.1516%0.155CC..  trans-84.68.3175.773.3-6.4000114D270 H271 E272 H289 G290 F293D270-N287 PolarHBondContact O-ND2 3.11Å; H271-N287 WeakPolarHBondContact CA-OD1 3.48Å; H271-N287 PolarHBondContact CD2-OD1 2.93Å; E272-N287 PolarHBondContact N-ND2 3.12Å; E272-N287 PolarHBondContact N-OD1 2.98Å; E272-N287 PolarHBondContact O-N 2.94Å; E272-N287 VanDerWaalsContact O-N 3.11Å; E272-N287 PolarHBondContact O-OD1 3.38Å; N287-H289 PolarHBondContact O-N 3.21Å; N287-G290 CarbonylContact C-O 3.17Å; N287-G290 VanDerWaalsContact CA-O 3.28Å; N287-G290 WeakPolarHBondContact CA-O 3.07Å; N287-G290 CarbonylContact O-C 3.5Å; N287-G290 PolarHBondContact O-N 2.85Å; N287-F293 HydrophobicContact CB-CD1 3.88Å; N287-F293 HydrophobicContact CB-CD2 4.49Å; N287-F293 HydrophobicContact CB-CE1 3.72Å; N287-F293 HydrophobicContact CB-CE2 4.32Å; N287-F293 HydrophobicContact CB-CG 4.25Å; N287-F293 HydrophobicContact CB-CZ 3.92Å; N287-F293 VanDerWaalsContact N-CD1 3.33Å
288R95Very high97.2Very high44 Ų4433.5 Ų33.517%0.16616%0.155CC..THydrogen-bonded Turntrans-50.2-33.1-170.868.3171.6-169.5174.14.3115.8S286 Y296 E303 W306S286-R288 VanDerWaalsContact C-N 3.27Å; S286-R288 PolarHBondContact O-N 2.91Å; S286-R288 PolarHBondContact OG-N 3.23Å; R288-Y296 HydrophobicContact CG-CE2 3.85Å; R288-Y296 VanDerWaalsContact CZ-CE1 3.48Å; R288-E303 PolarHBondContact NH1-O 2.92Å; R288-W306 PolarHBondContact NH2-O 3.29Å
289H95.3Very high97.1Very high122 Ų12241.1 Ų41.157%0.56518%0.184SC*.THydrogen-bonded Turntrans-114.71.5-179.4-62.4162.3000112.9N287 Y296 E308 P312N287-H289 PolarHBondContact O-N 3.21Å; H289-Y296 PolarHBondContact ND1-OH 2.65Å; H289-E308 IonicContact ND1-OE2 2.64Å; H289-P312 HydrophobicContact CB-CG 4.04Å
290G95.7Very high96.9Very high24 Ų2442.1 Ų42.125%0.24719%0.189CC..  trans175.9142.3-177.500000113.5N287 N292 F293N287-G290 CarbonylContact C-O 3.17Å; N287-G290 VanDerWaalsContact CA-O 3.28Å; N287-G290 WeakPolarHBondContact CA-O 3.07Å; N287-G290 CarbonylContact O-C 3.5Å; N287-G290 PolarHBondContact O-N 2.85Å; G290-N292 PolarHBondContact O-N 3.36Å; G290-N292 VanDerWaalsContact O-N 3.15Å; G290-F293 PolarHBondContact O-N 2.75Å; G290-F293 VanDerWaalsContact O-N 3.08Å
291K94.7Very high96.9Very high97 Ų9741.5 Ų41.542%0.42218%0.181SC..THydrogen-bonded Turntrans-57.9-29.8-173.6-66.4-168.5175.8-173.50114.6F293 Q490 E494K291-F293 VanDerWaalsContact C-N 3.27Å; K291-F293 VanDerWaalsContact O-CD2 3.31Å; K291-F293 WeakPolarHBondContact O-CD2 3.43Å; K291-F293 WeakPolarHBondContact O-CE2 3.15Å; K291-F293 PolarHBondContact O-N 2.76Å; K291-Q490 HydrophobicContact CB-CB 3.82Å; K291-Q490 HydrophobicContact CB-CG 3.82Å; K291-Q490 HydrophobicContact CD-CG 4.4Å; K291-Q490 HydrophobicContact CG-CG 4.46Å; K291-Q490 WeakPolarHBondContact O-CB 3.28Å; K291-E494 HydrophobicContact CD-CG 4.46Å
292N97.3Very high96.7Very high8 Ų841.9 Ų41.94%0.04319%0.189CC..THydrogen-bonded Turntrans-88.714.7-179.3-83.5-5.3000114.6G290 R313 E314 L318 Q490G290-N292 PolarHBondContact O-N 3.36Å; G290-N292 VanDerWaalsContact O-N 3.15Å; N292-R313 WeakPolarHBondContact CB-O 3.39Å; N292-R313 PolarHBondContact ND2-O 3.37Å; N292-E314 VanDerWaalsContact ND2-C 3.34Å; N292-E314 PolarHBondContact ND2-O 2.71Å; N292-L318 PolarHBondContact O-N 3.46Å; N292-Q490 PolarHBondContact OD1-N 2.74Å
293F98.3Very high96.5Very high1 Ų142.2 Ų42.20%0.00419%0.19CC..  trans65.1142.4175.3-59.9-101.1000115.2E272 R285 S286 N287 G290 K291 P312 M317 L318E272-F293 HydrophobicContact CB-CE1 3.84Å; E272-F293 HydrophobicContact CB-CZ 4.02Å; E272-F293 HydrophobicContact CG-CE1 3.95Å; E272-F293 HydrophobicContact CG-CZ 4.14Å; E272-F293 WeakPolarHBondContact OE1-CE1 3.47Å; E272-F293 WeakPolarHBondContact OE1-CZ 3.35Å; E272-F293 WeakPolarHBondContact OE2-CZ 3.43Å; R285-F293 HydrophobicContact CG-CB 3.99Å; R285-F293 HydrophobicContact CG-CD1 3.8Å; R285-F293 HydrophobicContact CG-CG 4.14Å; R285-F293 VanDerWaalsContact NH2-CD2 3.27Å; R285-F293 VanDerWaalsContact NH2-CE2 3.25Å; S286-F293 VanDerWaalsContact C-CD1 3.43Å; S286-F293 WeakPolarHBondContact O-CA 3.46Å; N287-F293 HydrophobicContact CB-CD1 3.88Å; N287-F293 HydrophobicContact CB-CD2 4.49Å; N287-F293 HydrophobicContact CB-CE1 3.72Å; N287-F293 HydrophobicContact CB-CE2 4.32Å; N287-F293 HydrophobicContact CB-CG 4.25Å; N287-F293 HydrophobicContact CB-CZ 3.92Å; N287-F293 VanDerWaalsContact N-CD1 3.33Å; G290-F293 PolarHBondContact O-N 2.75Å; G290-F293 VanDerWaalsContact O-N 3.08Å; K291-F293 VanDerWaalsContact C-N 3.27Å; K291-F293 VanDerWaalsContact O-CD2 3.31Å; K291-F293 WeakPolarHBondContact O-CD2 3.43Å; K291-F293 WeakPolarHBondContact O-CE2 3.15Å; K291-F293 PolarHBondContact O-N 2.76Å; F293-P312 WeakPolarHBondContact O-CA 3.31Å; F293-M317 HydrophobicContact CE2-CE 4.48Å; F293-L318 HydrophobicContact CB-CB 4.16Å
294G98.4Very high96.2Very high0 Ų050 Ų500%023%0.227CC..EExtended strand (participates in β ladder)trans-111.8163165.500000110.6R285 S286 I310R285-G294 WeakPolarHBondContact CA-O 3.3Å; S286-G294 PolarHBondContact N-O 3.12Å; S286-G294 PolarHBondContact O-N 3.23Å; G294-I310 CarbonylContact C-O 3.47Å; G294-I310 WeakPolarHBondContact CA-O 3.35Å
295L98.5Very high96.1Very high0 Ų055.1 Ų55.10%025%0.251CS..EExtended strand (participates in β ladder)trans-105.8128.3169.7-16972.3000109.8L284 L309 I310 L318 F321 L328 V330L284-L295 CarbonylContact O-C 3.57Å; L284-L295 WeakPolarHBondContact O-CA 3.38Å; L295-L309 HydrophobicContact CD2-CB 4.46Å; L295-L309 HydrophobicContact CD2-CD1 4.21Å; L295-L309 WeakPolarHBondContact O-CA 3.35Å; L295-L309 WeakPolarHBondContact O-CB 3.21Å; L295-L309 PolarHBondContact O-N 3.3Å; L295-I310 HydrophobicContact CB-CB 3.95Å; L295-I310 HydrophobicContact CB-CD1 4.05Å; L295-I310 HydrophobicContact CB-CG1 4.12Å; L295-I310 HydrophobicContact CD2-CD1 3.99Å; L295-I310 HydrophobicContact CD2-CG1 4.5Å; L295-I310 PolarHBondContact N-O 3.24Å; L295-I310 PolarHBondContact O-N 3.44Å; L295-I310 VanDerWaalsContact O-N 3.1Å; L295-L318 HydrophobicContact CB-CD2 3.81Å; L295-F321 HydrophobicContact CD1-CB 4.44Å; L295-F321 HydrophobicContact CD1-CD1 3.54Å; L295-F321 HydrophobicContact CD1-CD2 4.41Å; L295-F321 HydrophobicContact CD1-CE1 3.82Å; L295-F321 HydrophobicContact CD1-CG 3.88Å; L295-F321 HydrophobicContact CD1-CZ 4.37Å; L295-L328 HydrophobicContact CD2-CD1 3.87Å; L295-L328 HydrophobicContact CD2-CD2 3.35Å; L295-L328 HydrophobicContact CD2-CG 4.2Å; L295-V330 HydrophobicContact CD2-CG1 4.36Å
296Y98.3Very high96Very high0 Ų054.8 Ų54.80%025%0.25CC..EExtended strand (participates in β ladder)trans-123.1157.1-176.2-57.3-79.8000111.5Y283 L284 R288 H289 W306 E307 E308Y283-Y296 CarbonylContact C-O 3.55Å; Y283-Y296 WeakPolarHBondContact CA-O 3.36Å; L284-Y296 PolarHBondContact N-O 2.64Å; L284-Y296 PolarHBondContact O-N 3.03Å; R288-Y296 HydrophobicContact CG-CE2 3.85Å; R288-Y296 VanDerWaalsContact CZ-CE1 3.48Å; H289-Y296 PolarHBondContact ND1-OH 2.65Å; Y296-W306 HydrophobicContact CD2-CE3 4.38Å; Y296-W306 HydrophobicContact CG-CE3 4.15Å; Y296-E307 CarbonylContact C-O 3.53Å; Y296-E307 VanDerWaalsContact CA-O 3.27Å; Y296-E307 WeakPolarHBondContact CA-O 3.39Å; Y296-E308 HydrophobicContact CD1-CB 3.98Å; Y296-E308 HydrophobicContact CD1-CG 4.15Å; Y296-E308 HydrophobicContact CE1-CB 3.83Å; Y296-E308 HydrophobicContact CE1-CG 3.64Å; Y296-E308 WeakPolarHBondContact CE1-OE2 3.29Å; Y296-E308 PolarHBondContact OH-OE2 3.33Å
297R97.4Very high95.9Very high36 Ų3658.4 Ų58.414%0.13627%0.266CS..EExtended strand (participates in β ladder)trans-134.2136.6177.8-178.5176.872.4-178.92.2110.6R281 F282 Y283 E307 L309R281-R297 HydrophobicContact CB-CG 4.3Å; R281-R297 VanDerWaalsContact NH1-NH2 3.16Å; F282-R297 WeakPolarHBondContact O-CA 3.34Å; Y283-R297 HydrophobicContact CE1-CG 4.28Å; R297-E307 IonicContact CZ-OE1 3.2Å; R297-E307 IonicContact CZ-OE2 2.71Å; R297-E307 PolarHBondContact N-O 2.96Å; R297-E307 IonicContact NE-OE1 3.34Å; R297-E307 IonicContact NE-OE2 2.82Å; R297-E307 PolarHBondContact NE-OE2 3.37Å; R297-E307 IonicContact NH2-OE1 3.85Å; R297-E307 PolarHBondContact NH2-OE1 3.19Å; R297-E307 IonicContact NH2-OE2 3.75Å; R297-E307 PolarHBondContact NH2-OE2 2.92Å; R297-E307 WeakPolarHBondContact O-CB 3.26Å; R297-E307 PolarHBondContact O-N 2.98Å; R297-L309 HydrophobicContact CB-CD1 3.76Å; R297-L309 HydrophobicContact CB-CD2 4.07Å; R297-L309 HydrophobicContact CB-CG 3.81Å
298T97.9Very high95.9Very high8 Ų861 Ų615%0.04928%0.278CS..EExtended strand (participates in β ladder)trans-152.5162.4179.6-171.20000112.7F264 R281 F282 L284 M300 W306F264-T298 HydrophobicContact CZ-CG2 4.09Å; R281-T298 WeakPolarHBondContact CA-O 3.25Å; F282-T298 HydrophobicContact CB-CG2 3.9Å; F282-T298 PolarHBondContact N-O 3.05Å; F282-T298 PolarHBondContact O-N 2.9Å; L284-T298 HydrophobicContact CD1-CG2 3.73Å; T298-M300 WeakPolarHBondContact CG2-O 3.01Å; T298-M300 PolarHBondContact OG1-N 2.63Å; T298-M300 PolarHBondContact OG1-O 2.94Å; T298-W306 VanDerWaalsContact CB-CD1 3.43Å; T298-W306 HydrophobicContact CG2-CG 4.24Å
299R96.2Very high96Very high168 Ų16860.3 Ų60.363%0.63428%0.277SS*.SBendtrans-107.2-15.1163.1-70.8178.5169.5155.3-5.5112.3R281R281-R299 HydrophobicContact CG-CG 4.13Å
300M92Very high96.1Very high100 Ų10055 Ų5549%0.49325%0.253SS..SBendtrans-116.9146.9-171.4-59.2-62.1-73.200109.5T298 D302T298-M300 WeakPolarHBondContact CG2-O 3.01Å; T298-M300 PolarHBondContact OG1-N 2.63Å; T298-M300 PolarHBondContact OG1-O 2.94Å; M300-D302 VanDerWaalsContact C-N 3.25Å; M300-D302 PolarHBondContact O-N 3.33Å
301R93.2Very high96.2Very high130 Ų13057 Ų5749%0.49126%0.261SS..SBendtrans-66.9-27.8175-71.8-173.1-69.3173-2.8113.1V263 F264 E303V263-R301 WeakPolarHBondContact O-CD 3.43Å; V263-R301 PolarHBondContact O-NH1 2.8Å; F264-R301 HydrophobicContact CD2-CG 3.86Å; F264-R301 HydrophobicContact CE2-CG 3.99Å; F264-R301 HydrophobicContact CG-CG 4.38Å; F264-R301 WeakPolarHBondContact O-CB 3.41Å; F264-R301 WeakPolarHBondContact O-CD 3.17Å; R301-E303 PolarHBondContact O-N 3.4Å; R301-E303 VanDerWaalsContact O-N 3.12Å
302D92.9Very high96.3Very high76 Ų7653.9 Ų53.941%0.40625%0.251SS..  trans-56.5113.1178.7-179.85.3000111.6M300 Q304 Q305 W306M300-D302 VanDerWaalsContact C-N 3.25Å; M300-D302 PolarHBondContact O-N 3.33Å; D302-Q304 PolarHBondContact O-N 3.27Å; D302-Q304 WeakPolarHBondContact OD1-CB 3.34Å; D302-Q304 PolarHBondContact OD1-N 3.05Å; D302-Q304 VanDerWaalsContact OD1-N 3.09Å; D302-Q305 HydrophobicContact CB-CG 4.2Å; D302-Q305 PolarHBondContact O-N 3.3Å; D302-Q305 PolarHBondContact OD2-NE2 3.05Å; D302-W306 PolarHBondContact O-NE1 2.98Å
303E94Very high96.3Very high23 Ų2356.5 Ų56.511%0.10726%0.26CS..G310 helixtrans-56.7-32.9-178.1-173.8178.5-165.300112.2L265 R268 H271 R288 R301 Q305 W306L265-E303 HydrophobicContact CD1-CB 4.31Å; R268-E303 IonicContact CZ-OE1 3.28Å; R268-E303 IonicContact CZ-OE2 3.8Å; R268-E303 IonicContact NH1-OE1 3.49Å; R268-E303 IonicContact NH1-OE2 2.74Å; R268-E303 PolarHBondContact NH1-OE2 3.14Å; R268-E303 IonicContact NH2-OE1 2.95Å; R268-E303 PolarHBondContact NH2-OE1 3.34Å; R268-E303 IonicContact NH2-OE2 3Å; R268-E303 PolarHBondContact NH2-OE2 2.79Å; H271-E303 IonicContact CE1-OE1 3.21Å; H271-E303 PolarHBondContact CE1-OE1 3.05Å; R288-E303 PolarHBondContact NH1-O 2.92Å; R301-E303 PolarHBondContact O-N 3.4Å; R301-E303 VanDerWaalsContact O-N 3.12Å; E303-Q305 PolarHBondContact O-N 3.49Å; E303-W306 HydrophobicContact CB-CZ2 4.31Å; E303-W306 HydrophobicContact CG-CD2 4.39Å; E303-W306 HydrophobicContact CG-CE3 4.34Å; E303-W306 HydrophobicContact CG-CH2 4.32Å; E303-W306 HydrophobicContact CG-CZ2 4.36Å; E303-W306 HydrophobicContact CG-CZ3 4.31Å; E303-W306 PolarHBondContact O-N 3.09Å
304Q93.4Very high96.1Very high167 Ų16764.6 Ų64.678%0.7830%0.298SS*.G310 helixtrans-69.1-16.8-179.4-62-60.9-40.400112.9D302D302-Q304 PolarHBondContact O-N 3.27Å; D302-Q304 WeakPolarHBondContact OD1-CB 3.34Å; D302-Q304 PolarHBondContact OD1-N 3.05Å; D302-Q304 VanDerWaalsContact OD1-N 3.09Å
305Q95.2Very high95.8Very high108 Ų10870 Ų7051%0.50533%0.327SS..G310 helixtrans-96.81.1-179.4-63.2-174.637.600113.7D302 E303 E307D302-Q305 HydrophobicContact CB-CG 4.2Å; D302-Q305 PolarHBondContact O-N 3.3Å; D302-Q305 PolarHBondContact OD2-NE2 3.05Å; E303-Q305 PolarHBondContact O-N 3.49Å; Q305-E307 PolarHBondContact O-N 2.81Å
306W96.5Very high95.7Very high11 Ų1171.3 Ų71.34%0.04233%0.333CS..PPolyproline II helixtrans-74.6120.3-178.6-60.94.9000110.9F264 L265 L284 R288 Y296 T298 D302 E303F264-W306 AromaticContact CE1-CZ2 3.73Å; F264-W306 HydrophobicContact CE1-CZ2 3.73Å; L265-W306 HydrophobicContact CD2-CH2 3.73Å; L265-W306 HydrophobicContact CD2-CZ2 4.04Å; L284-W306 HydrophobicContact CB-CZ3 4.41Å; L284-W306 HydrophobicContact CD1-CD2 4.35Å; L284-W306 HydrophobicContact CD1-CE3 4.5Å; L284-W306 HydrophobicContact CD2-CE3 4.45Å; L284-W306 HydrophobicContact CD2-CH2 3.55Å; L284-W306 HydrophobicContact CD2-CZ2 3.77Å; L284-W306 HydrophobicContact CD2-CZ3 3.91Å; R288-W306 PolarHBondContact NH2-O 3.29Å; Y296-W306 HydrophobicContact CD2-CE3 4.38Å; Y296-W306 HydrophobicContact CG-CE3 4.15Å; T298-W306 VanDerWaalsContact CB-CD1 3.43Å; T298-W306 HydrophobicContact CG2-CG 4.24Å; D302-W306 PolarHBondContact O-NE1 2.98Å; E303-W306 HydrophobicContact CB-CZ2 4.31Å; E303-W306 HydrophobicContact CG-CD2 4.39Å; E303-W306 HydrophobicContact CG-CE3 4.34Å; E303-W306 HydrophobicContact CG-CH2 4.32Å; E303-W306 HydrophobicContact CG-CZ2 4.36Å; E303-W306 HydrophobicContact CG-CZ3 4.31Å; E303-W306 PolarHBondContact O-N 3.09Å
307E96.7Very high95.7Very high75 Ų7572 Ų7235%0.3534%0.337SS..EExtended strand (participates in β ladder)trans-72.4125.2172.6-179.1-168.7165.900109.5Y296 R297 Q305 L309 R348Y296-E307 CarbonylContact C-O 3.53Å; Y296-E307 VanDerWaalsContact CA-O 3.27Å; Y296-E307 WeakPolarHBondContact CA-O 3.39Å; R297-E307 IonicContact CZ-OE1 3.2Å; R297-E307 IonicContact CZ-OE2 2.71Å; R297-E307 PolarHBondContact N-O 2.96Å; R297-E307 IonicContact NE-OE1 3.34Å; R297-E307 IonicContact NE-OE2 2.82Å; R297-E307 PolarHBondContact NE-OE2 3.37Å; R297-E307 IonicContact NH2-OE1 3.85Å; R297-E307 PolarHBondContact NH2-OE1 3.19Å; R297-E307 IonicContact NH2-OE2 3.75Å; R297-E307 PolarHBondContact NH2-OE2 2.92Å; R297-E307 WeakPolarHBondContact O-CB 3.26Å; R297-E307 PolarHBondContact O-N 2.98Å; Q305-E307 PolarHBondContact O-N 2.81Å; E307-L309 HydrophobicContact CG-CD2 4.44Å; E307-L309 PolarHBondContact O-N 2.9Å; E307-R348 IonicContact OE1-NH2 3.44Å; E307-R348 PolarHBondContact OE1-NH2 2.84Å
308E97.2Very high95.7Very high83 Ų8370.3 Ų70.339%0.38833%0.331SS..EExtended strand (participates in β ladder)trans-75.1118.8172.6-169.1168.985.900110.3H289 Y296 P311H289-E308 IonicContact ND1-OE2 2.64Å; Y296-E308 HydrophobicContact CD1-CB 3.98Å; Y296-E308 HydrophobicContact CD1-CG 4.15Å; Y296-E308 HydrophobicContact CE1-CB 3.83Å; Y296-E308 HydrophobicContact CE1-CG 3.64Å; Y296-E308 WeakPolarHBondContact CE1-OE2 3.29Å; Y296-E308 PolarHBondContact OH-OE2 3.33Å; E308-P311 HydrophobicContact CG-CB 4.43Å; E308-P311 WeakPolarHBondContact OE1-CB 3.38Å
309L96.3Very high95.6Very high29 Ų2972.3 Ų72.315%0.15234%0.34CS..EExtended strand (participates in β ladder)trans-92.2-41174.3-62.8-174.8000111.7Y283 L295 R297 E307Y283-L309 HydrophobicContact CD1-CD1 3.96Å; Y283-L309 HydrophobicContact CE1-CD1 3.78Å; L295-L309 HydrophobicContact CD2-CB 4.46Å; L295-L309 HydrophobicContact CD2-CD1 4.21Å; L295-L309 WeakPolarHBondContact O-CA 3.35Å; L295-L309 WeakPolarHBondContact O-CB 3.21Å; L295-L309 PolarHBondContact O-N 3.3Å; R297-L309 HydrophobicContact CB-CD1 3.76Å; R297-L309 HydrophobicContact CB-CD2 4.07Å; R297-L309 HydrophobicContact CB-CG 3.81Å; E307-L309 HydrophobicContact CG-CD2 4.44Å; E307-L309 PolarHBondContact O-N 2.9Å
310I97.3Very high95.7Very high11 Ų1165.3 Ų65.36%0.05632%0.319CS..EExtended strand (participates in β ladder)trans-134.9113.7176.9-55.8171.4000106.8G294 L295 V330 I343G294-I310 CarbonylContact C-O 3.47Å; G294-I310 WeakPolarHBondContact CA-O 3.35Å; L295-I310 HydrophobicContact CB-CB 3.95Å; L295-I310 HydrophobicContact CB-CD1 4.05Å; L295-I310 HydrophobicContact CB-CG1 4.12Å; L295-I310 HydrophobicContact CD2-CD1 3.99Å; L295-I310 HydrophobicContact CD2-CG1 4.5Å; L295-I310 PolarHBondContact N-O 3.24Å; L295-I310 PolarHBondContact O-N 3.44Å; L295-I310 VanDerWaalsContact O-N 3.1Å; I310-V330 HydrophobicContact CD1-CG1 3.79Å; I310-V330 HydrophobicContact CD1-CG2 4.4Å; I310-I343 HydrophobicContact CD1-CD1 3.72Å; I310-I343 HydrophobicContact CG1-CD1 4.3Å
311P97.5Very high95.9Very high65 Ų6562.1 Ų62.142%0.42230%0.303SS..  trans-64.9151.6174.824.7-32.3000111.2E308E308-P311 HydrophobicContact CG-CB 4.43Å; E308-P311 WeakPolarHBondContact OE1-CB 3.38Å
312P97.8Very high96.2Very high32 Ų3257.4 Ų57.421%0.20829%0.289CS..  trans-55.7140164.9-18.429.5000111H289 F293H289-P312 HydrophobicContact CB-CG 4.04Å; F293-P312 WeakPolarHBondContact O-CA 3.31Å
313R97.3Very high96.4Very high63 Ų6353.9 Ų53.924%0.23827%0.27CS..BIsolated β-bridgetrans-124.7132.8178.6-71.8162.2-68.1162.46.1109.3N292 N315 I316 E332N292-R313 WeakPolarHBondContact CB-O 3.39Å; N292-R313 PolarHBondContact ND2-O 3.37Å; R313-N315 PolarHBondContact O-N 3.19Å; R313-N315 VanDerWaalsContact O-N 3.14Å; R313-I316 HydrophobicContact CB-CB 4.08Å; R313-I316 PolarHBondContact O-N 3.25Å; R313-E332 IonicContact CZ-OE1 3.79Å; R313-E332 IonicContact CZ-OE2 3.38Å; R313-E332 IonicContact NH1-OE1 3.69Å; R313-E332 PolarHBondContact NH1-OE1 2.86Å; R313-E332 IonicContact NH1-OE2 2.78Å; R313-E332 PolarHBondContact NH1-OE2 2.82Å; R313-E332 VanDerWaalsContact NH1-OE2 3.12Å; R313-E332 VanDerWaalsContact NH2-CD 3.29Å; R313-E332 IonicContact NH2-OE1 3.01Å; R313-E332 PolarHBondContact NH2-OE1 2.65Å; R313-E332 IonicContact NH2-OE2 3.09Å
314E93.1Very high96.6Very high172 Ų17252.9 Ų52.980%0.80427%0.265SS*.THydrogen-bonded Turntrans-57.1-33.5-174.1-172.2176.2-169.400113.8N292N292-E314 VanDerWaalsContact ND2-C 3.34Å; N292-E314 PolarHBondContact ND2-O 2.71Å
315N93.3Very high96.8Very high112 Ų11246.8 Ų46.860%0.59924%0.239SC*.THydrogen-bonded Turntrans-115.810-174.1-60.1-51.9000114R313 Q334R313-N315 PolarHBondContact O-N 3.19Å; R313-N315 VanDerWaalsContact O-N 3.14Å; N315-Q334 WeakPolarHBondContact O-CG 3.5Å
316I96.3Very high96.8Very high28 Ų2843.7 Ų43.714%0.14423%0.226CC..BIsolated β-bridgetrans-134.5108.7178.3-53-178.2000108.5R313 E332 R333 Q334R313-I316 HydrophobicContact CB-CB 4.08Å; R313-I316 PolarHBondContact O-N 3.25Å; I316-E332 HydrophobicContact CG2-CB 3.88Å; I316-E332 HydrophobicContact CG2-CG 4.38Å; I316-R333 WeakPolarHBondContact CA-O 3.11Å; I316-Q334 HydrophobicContact CG1-CB 4.26Å; I316-Q334 HydrophobicContact CG1-CG 4.27Å
317M97.1Very high96.9Very high15 Ų1543.4 Ų43.47%0.07423%0.225CC..EExtended strand (participates in β ladder)trans-78.3128.4173.6177.5163.4-17800109.6F293 E319 E332 R333F293-M317 HydrophobicContact CE2-CE 4.48Å; M317-E319 WeakPolarHBondContact CE-OE2 3.25Å; M317-E319 HydrophobicContact CG-CG 4.4Å; M317-E332 CarbonylContact O-C 3.55Å; M317-E332 WeakPolarHBondContact O-CA 3.42Å; M317-R333 HydrophobicContact CB-CB 4.34Å; M317-R333 PolarHBondContact N-O 2.9Å; M317-R333 PolarHBondContact O-N 3.04Å
318L98Very high96.9Very high0 Ų040.1 Ų40.10%021%0.21CC..EExtended strand (participates in β ladder)trans-86.3111.3166.8177.368.3000108R285 N292 F293 L295 V330 E332R285-L318 HydrophobicContact CG-CD2 4.28Å; R285-L318 PolarHBondContact NE-O 2.9Å; R285-L318 PolarHBondContact NH2-O 3.29Å; N292-L318 PolarHBondContact O-N 3.46Å; F293-L318 HydrophobicContact CB-CB 4.16Å; L295-L318 HydrophobicContact CB-CD2 3.81Å; L318-V330 HydrophobicContact CD1-CB 3.7Å; L318-V330 HydrophobicContact CD1-CG1 3.93Å; L318-V330 HydrophobicContact CD1-CG2 4.45Å; L318-E332 HydrophobicContact CD1-CG 4.2Å
319E96.4Very high97Very high51 Ų5136.2 Ų36.224%0.23819%0.191CC..EExtended strand (participates in β ladder)trans-85.1-44.9-176.1-64.3-79.3-162.100110.9R285 M317 E331 R333R285-E319 VanDerWaalsContact CD-O 3.28Å; R285-E319 WeakPolarHBondContact CD-O 3.3Å; R285-E319 PolarHBondContact NE-O 3.5Å; M317-E319 WeakPolarHBondContact CE-OE2 3.25Å; M317-E319 HydrophobicContact CG-CG 4.4Å; E319-E331 HydrophobicContact CB-CB 4.26Å; E319-E331 HydrophobicContact CB-CG 4.14Å; E319-E331 PolarHBondContact N-O 2.9Å; E319-R333 HydrophobicContact CG-CB 4.24Å; E319-R333 IonicContact OE1-NE 3.35Å; E319-R333 PolarHBondContact OE1-NE 2.61Å; E319-R333 VanDerWaalsContact OE1-NE 3.1Å
320G97.1Very high97.1Very high20 Ų2034.8 Ų34.821%0.20618%0.184CC..EExtended strand (participates in β ladder)trans-167.9178.6-174.400000113.3V330 E331G320-V330 WeakPolarHBondContact O-CA 3.06Å; G320-E331 PolarHBondContact N-O 3.45Å; G320-E331 PolarHBondContact O-N 2.9Å
321F98.3Very high97.1Very high33 Ų3336.1 Ų36.115%0.14519%0.19CC..EExtended strand (participates in β ladder)trans-151.3161.1176.970.3-86.1000112.5D276 R285 L295 L323 L328 V329 V330D276-F321 HydrophobicContact CB-CE2 3.9Å; D276-F321 HydrophobicContact CB-CZ 3.86Å; R285-F321 HydrophobicContact CB-CD1 4.19Å; R285-F321 HydrophobicContact CB-CE1 4.05Å; L295-F321 HydrophobicContact CD1-CB 4.44Å; L295-F321 HydrophobicContact CD1-CD1 3.54Å; L295-F321 HydrophobicContact CD1-CD2 4.41Å; L295-F321 HydrophobicContact CD1-CE1 3.82Å; L295-F321 HydrophobicContact CD1-CG 3.88Å; L295-F321 HydrophobicContact CD1-CZ 4.37Å; F321-L323 HydrophobicContact CD2-CD2 4.17Å; F321-L323 HydrophobicContact CD2-CG 4.07Å; F321-L323 HydrophobicContact CE2-CD1 4.07Å; F321-L323 HydrophobicContact CE2-CD2 4.31Å; F321-L323 HydrophobicContact CE2-CG 3.98Å; F321-L328 HydrophobicContact CB-CD1 3.93Å; F321-L328 HydrophobicContact CD2-CD1 4.07Å; F321-L328 HydrophobicContact CG-CD1 4.36Å; F321-V329 CarbonylContact C-O 3.58Å; F321-V329 WeakPolarHBondContact CA-O 3.45Å; F321-V329 WeakPolarHBondContact CB-O 3.44Å; F321-V330 HydrophobicContact CB-CG1 4.03Å
322T98.2Very high97.1Very high32 Ų3233.2 Ų33.220%0.19617%0.171CC..EExtended strand (participates in β ladder)trans-139.4141.7172.1-64.20000110F324 V329 I364 N367T322-F324 HydrophobicContact CG2-CD2 4.25Å; T322-F324 HydrophobicContact CG2-CE2 3.57Å; T322-F324 HydrophobicContact CG2-CZ 3.85Å; T322-V329 PolarHBondContact N-O 2.9Å; T322-V329 PolarHBondContact O-N 2.81Å; T322-I364 WeakPolarHBondContact OG1-CG2 3.02Å; T322-N367 HydrophobicContact CG2-CB 4.17Å
323L98.2Very high97.1Very high2 Ų232.1 Ų32.11%0.0116%0.163CC..EExtended strand (participates in β ladder)trans-106.1132.7-175.5-61.1172.6000110.8D276 Y278 Y283 F321 L328 P370D276-L323 HydrophobicContact CB-CD1 4.31Å; Y278-L323 HydrophobicContact CD1-CB 3.96Å; Y278-L323 HydrophobicContact CG-CB 4.36Å; Y278-L323 HydrophobicContact CG-CD1 4.46Å; Y283-L323 HydrophobicContact CD1-CD1 4.49Å; Y283-L323 HydrophobicContact CD1-CD2 3.82Å; Y283-L323 HydrophobicContact CD2-CD1 3.4Å; Y283-L323 VanDerWaalsContact CD2-CD1 3.4Å; Y283-L323 HydrophobicContact CD2-CD2 4.09Å; Y283-L323 HydrophobicContact CD2-CG 4.42Å; Y283-L323 HydrophobicContact CE1-CD2 3.91Å; Y283-L323 HydrophobicContact CE2-CD1 3.91Å; Y283-L323 HydrophobicContact CE2-CD2 4.19Å; Y283-L323 HydrophobicContact CG-CD1 3.75Å; Y283-L323 HydrophobicContact CG-CD2 3.91Å; Y283-L323 HydrophobicContact CG-CG 4.46Å; F321-L323 HydrophobicContact CD2-CD2 4.17Å; F321-L323 HydrophobicContact CD2-CG 4.07Å; F321-L323 HydrophobicContact CE2-CD1 4.07Å; F321-L323 HydrophobicContact CE2-CD2 4.31Å; F321-L323 HydrophobicContact CE2-CG 3.98Å; L323-L328 HydrophobicContact CD2-CD1 3.78Å; L323-P370 WeakPolarHBondContact O-CB 3.42Å
324F98.1Very high96.8Very high1 Ų133.2 Ų33.20%0.00417%0.171CC..  trans-125.2169.7173.1-61.2-95.4000109.8Y278 T322 D326 W327 V329 R345 N367 P370 T372 L375 M393Y278-F324 WeakPolarHBondContact CE1-O 3.5Å; T322-F324 HydrophobicContact CG2-CD2 4.25Å; T322-F324 HydrophobicContact CG2-CE2 3.57Å; T322-F324 HydrophobicContact CG2-CZ 3.85Å; F324-D326 VanDerWaalsContact C-N 3.28Å; F324-D326 PolarHBondContact O-N 2.88Å; F324-W327 WeakPolarHBondContact CA-O 3.34Å; F324-W327 HydrophobicContact CB-CB 4.16Å; F324-W327 WeakPolarHBondContact CB-O 3.4Å; F324-W327 PolarHBondContact N-O 3.01Å; F324-V329 HydrophobicContact CD2-CG2 4.01Å; F324-V329 HydrophobicContact CE2-CB 4.26Å; F324-V329 HydrophobicContact CE2-CG2 3.69Å; F324-R345 PolarHBondContact O-NH1 2.78Å; F324-N367 HydrophobicContact CE1-CB 4.17Å; F324-N367 HydrophobicContact CZ-CB 3.94Å; F324-P370 CarbonylContact C-O 3.56Å; F324-P370 VanDerWaalsContact CA-O 3.28Å; F324-P370 WeakPolarHBondContact CA-O 3.15Å; F324-T372 HydrophobicContact CD1-CG2 3.72Å; F324-T372 HydrophobicContact CE1-CG2 3.92Å; F324-L375 HydrophobicContact CE2-CD1 4.03Å; F324-L375 HydrophobicContact CZ-CB 4.33Å; F324-L375 HydrophobicContact CZ-CD1 3.79Å; F324-M393 HydrophobicContact CB-CE 4.06Å; F324-M393 HydrophobicContact CD1-CE 3.88Å; F324-M393 HydrophobicContact CD2-CE 3.76Å; F324-M393 HydrophobicContact CD2-SD 4.44Å; F324-M393 HydrophobicContact CE1-CE 4.21Å; F324-M393 HydrophobicContact CE2-CE 4.11Å; F324-M393 HydrophobicContact CG-CE 3.64Å; F324-M393 HydrophobicContact CZ-CE 4.32Å
325T95.9Very high96.6Very high39 Ų3932.5 Ų32.524%0.23916%0.161CC..SBendtrans-46.3-51.9-177.8-51.20000112.1Y278 Q279 R345 P370 E371Y278-T325 WeakPolarHBondContact OH-CA 3.19Å; Q279-T325 PolarHBondContact NE2-O 2.75Å; T325-R345 PolarHBondContact O-NH1 2.88Å; T325-P370 PolarHBondContact N-O 2.93Å; T325-P370 PolarHBondContact OG1-O 2.76Å; T325-E371 VanDerWaalsContact OG1-CA 3.27Å; T325-E371 WeakPolarHBondContact OG1-CA 3.47Å; T325-E371 PolarHBondContact OG1-OE2 2.84Å
326D96.7Very high96.3Very high44 Ų4427.4 Ų27.424%0.23513%0.134CC..SBendtrans-117.7-8.1-176-76.2-16.9000113.7F324 N344 R345 K346F324-D326 VanDerWaalsContact C-N 3.28Å; F324-D326 PolarHBondContact O-N 2.88Å; D326-N344 CarbonylContact O-C 3.54Å; D326-R345 WeakPolarHBondContact O-CB 3.35Å; D326-R345 PolarHBondContact O-N 3.1Å; D326-K346 WeakPolarHBondContact OD1-CE 3.32Å; D326-K346 IonicContact OD1-NZ 2.98Å; D326-K346 PolarHBondContact OD1-NZ 2.88Å; D326-K346 IonicContact OD2-NZ 3.15Å; D326-K346 PolarHBondContact OD2-NZ 3.25Å
327W97.9Very high96.1Very high5 Ų527.7 Ų27.72%0.01914%0.136CC..EExtended strand (participates in β ladder)trans-122146.1-173.7-6493.9000112.5F324 Q342 N344 R345 I351 M393 D394F324-W327 WeakPolarHBondContact CA-O 3.34Å; F324-W327 HydrophobicContact CB-CB 4.16Å; F324-W327 WeakPolarHBondContact CB-O 3.4Å; F324-W327 PolarHBondContact N-O 3.01Å; W327-Q342 HydrophobicContact CE3-CB 3.88Å; W327-Q342 HydrophobicContact CE3-CG 4.07Å; W327-Q342 HydrophobicContact CZ3-CB 4.22Å; W327-Q342 HydrophobicContact CZ3-CG 3.89Å; W327-Q342 VanDerWaalsContact CZ3-NE2 3.32Å; W327-N344 HydrophobicContact CD2-CB 4.41Å; W327-N344 HydrophobicContact CE3-CB 3.94Å; W327-N344 HydrophobicContact CH2-CB 3.84Å; W327-N344 HydrophobicContact CZ2-CB 4.29Å; W327-N344 HydrophobicContact CZ3-CB 3.64Å; W327-R345 WeakPolarHBondContact O-CD 3.28Å; W327-I351 HydrophobicContact CH2-CD1 4.49Å; W327-M393 HydrophobicContact CB-CE 3.63Å; W327-M393 HydrophobicContact CB-SD 3.53Å; W327-M393 VanDerWaalsContact CB-SD 3.53Å; W327-M393 HydrophobicContact CD2-CB 3.75Å; W327-M393 HydrophobicContact CD2-SD 4.25Å; W327-M393 HydrophobicContact CE3-CB 4.41Å; W327-M393 HydrophobicContact CG-CB 3.84Å; W327-M393 HydrophobicContact CG-CE 3.84Å; W327-M393 HydrophobicContact CG-CG 4.42Å; W327-M393 HydrophobicContact CG-SD 3.72Å; W327-M393 WeakPolarHBondContact CH2-O 3.39Å; W327-M393 HydrophobicContact CZ2-CB 4.26Å; W327-M393 WeakPolarHBondContact CZ2-O 3.3Å; W327-D394 PolarHBondContact NE1-OD1 2.85Å
328L97.9Very high96Very high6 Ų627 Ų273%0.03113%0.132CC..EExtended strand (participates in β ladder)trans-114.4124.2165.1159.470000106.1L295 F321 L323 V330 Q342 I343 R345L295-L328 HydrophobicContact CD2-CD1 3.87Å; L295-L328 HydrophobicContact CD2-CD2 3.35Å; L295-L328 HydrophobicContact CD2-CG 4.2Å; F321-L328 HydrophobicContact CB-CD1 3.93Å; F321-L328 HydrophobicContact CD2-CD1 4.07Å; F321-L328 HydrophobicContact CG-CD1 4.36Å; L323-L328 HydrophobicContact CD2-CD1 3.78Å; L328-V330 HydrophobicContact CD1-CG1 4.17Å; L328-V330 HydrophobicContact CD2-CG1 4.43Å; L328-V330 HydrophobicContact CG-CG1 4.17Å; L328-Q342 CarbonylContact O-C 3.29Å; L328-I343 HydrophobicContact CB-CB 4.34Å; L328-I343 HydrophobicContact CD2-CB 4.44Å; L328-I343 HydrophobicContact CD2-CD1 4.06Å; L328-I343 PolarHBondContact N-O 2.8Å; L328-I343 PolarHBondContact O-N 2.83Å; L328-R345 HydrophobicContact CB-CG 4.03Å
329V98.5Very high95.9Very high0 Ų028.5 Ų28.50%014%0.143CC..EExtended strand (participates in β ladder)trans-108.3132.6174.6-176.50000108.1F321 T322 F324 R341 Q342 I364 L375 M393F321-V329 CarbonylContact C-O 3.58Å; F321-V329 WeakPolarHBondContact CA-O 3.45Å; F321-V329 WeakPolarHBondContact CB-O 3.44Å; T322-V329 PolarHBondContact N-O 2.9Å; T322-V329 PolarHBondContact O-N 2.81Å; F324-V329 HydrophobicContact CD2-CG2 4.01Å; F324-V329 HydrophobicContact CE2-CB 4.26Å; F324-V329 HydrophobicContact CE2-CG2 3.69Å; V329-R341 CarbonylContact C-O 3.51Å; V329-R341 WeakPolarHBondContact CA-O 3.46Å; V329-Q342 HydrophobicContact CG2-CB 4.25Å; V329-I364 HydrophobicContact CB-CD1 4.26Å; V329-I364 HydrophobicContact CG1-CD1 3.8Å; V329-I364 HydrophobicContact CG1-CG1 4.09Å; V329-L375 HydrophobicContact CB-CD1 4.43Å; V329-L375 HydrophobicContact CG1-CD1 4.16Å; V329-L375 HydrophobicContact CG1-CD2 3.82Å; V329-L375 HydrophobicContact CG2-CD1 4.17Å; V329-L375 HydrophobicContact CG2-CD2 4.05Å; V329-M393 HydrophobicContact CG2-SD 3.5Å; V329-M393 VanDerWaalsContact CG2-SD 3.5Å
330V98.3Very high96Very high0 Ų026.1 Ų26.10%013%0.132CC..EExtended strand (participates in β ladder)trans-118.6142.1176.7-63.70000110.7L295 I310 L318 G320 F321 L328 E332 L340 R341 I343L295-V330 HydrophobicContact CD2-CG1 4.36Å; I310-V330 HydrophobicContact CD1-CG1 3.79Å; I310-V330 HydrophobicContact CD1-CG2 4.4Å; L318-V330 HydrophobicContact CD1-CB 3.7Å; L318-V330 HydrophobicContact CD1-CG1 3.93Å; L318-V330 HydrophobicContact CD1-CG2 4.45Å; G320-V330 WeakPolarHBondContact O-CA 3.06Å; F321-V330 HydrophobicContact CB-CG1 4.03Å; L328-V330 HydrophobicContact CD1-CG1 4.17Å; L328-V330 HydrophobicContact CD2-CG1 4.43Å; L328-V330 HydrophobicContact CG-CG1 4.17Å; V330-E332 HydrophobicContact CB-CG 4.43Å; V330-E332 HydrophobicContact CG2-CG 4Å; V330-L340 WeakPolarHBondContact O-CA 3.4Å; V330-R341 HydrophobicContact CG2-CB 3.83Å; V330-R341 PolarHBondContact N-O 3Å; V330-R341 PolarHBondContact O-N 2.8Å; V330-I343 HydrophobicContact CG2-CD1 4.49Å
331E97.9Very high95.9Very high38 Ų3827.1 Ų27.118%0.17813%0.129CC..EExtended strand (participates in β ladder)trans-100127.8170-171.7169.1154.100108.5E319 G320 L340 W363 I364E319-E331 HydrophobicContact CB-CB 4.26Å; E319-E331 HydrophobicContact CB-CG 4.14Å; E319-E331 PolarHBondContact N-O 2.9Å; G320-E331 PolarHBondContact N-O 3.45Å; G320-E331 PolarHBondContact O-N 2.9Å; E331-L340 HydrophobicContact CB-CD2 3.97Å; E331-L340 HydrophobicContact CG-CD2 3.95Å; E331-W363 WeakPolarHBondContact OE2-CA 3.45Å; E331-I364 HydrophobicContact CB-CD1 4.13Å; E331-I364 HydrophobicContact CB-CG1 4.29Å; E331-I364 PolarHBondContact OE2-N 2.96Å
332E97.5Very high95.9Very high4 Ų425.8 Ų25.82%0.01912%0.123CC..EExtended strand (participates in β ladder)trans-135153.6-174.7-54.9-170.4151.600111R313 I316 M317 L318 V330 T338 S339 R341R313-E332 IonicContact CZ-OE1 3.79Å; R313-E332 IonicContact CZ-OE2 3.38Å; R313-E332 IonicContact NH1-OE1 3.69Å; R313-E332 PolarHBondContact NH1-OE1 2.86Å; R313-E332 IonicContact NH1-OE2 2.78Å; R313-E332 PolarHBondContact NH1-OE2 2.82Å; R313-E332 VanDerWaalsContact NH1-OE2 3.12Å; R313-E332 VanDerWaalsContact NH2-CD 3.29Å; R313-E332 IonicContact NH2-OE1 3.01Å; R313-E332 PolarHBondContact NH2-OE1 2.65Å; R313-E332 IonicContact NH2-OE2 3.09Å; I316-E332 HydrophobicContact CG2-CB 3.88Å; I316-E332 HydrophobicContact CG2-CG 4.38Å; M317-E332 CarbonylContact O-C 3.55Å; M317-E332 WeakPolarHBondContact O-CA 3.42Å; L318-E332 HydrophobicContact CD1-CG 4.2Å; V330-E332 HydrophobicContact CB-CG 4.43Å; V330-E332 HydrophobicContact CG2-CG 4Å; E332-T338 CarbonylContact O-C 3.52Å; E332-T338 WeakPolarHBondContact O-CA 3.29Å; E332-S339 PolarHBondContact N-O 3.12Å; E332-S339 PolarHBondContact O-N 3.31Å; E332-S339 PolarHBondContact O-OG 2.89Å; E332-R341 IonicContact OE1-CZ 2.73Å; E332-R341 IonicContact OE1-NE 3.89Å; E332-R341 PolarHBondContact OE1-NE 3.37Å; E332-R341 IonicContact OE1-NH2 3.04Å; E332-R341 PolarHBondContact OE1-NH2 3.2Å; E332-R341 IonicContact OE2-CZ 3.4Å; E332-R341 IonicContact OE2-NE 3.82Å; E332-R341 PolarHBondContact OE2-NE 2.56Å; E332-R341 IonicContact OE2-NH2 2.78Å
333R96.2Very high95.8Very high9 Ų925.1 Ų25.13%0.03412%0.118CC..EExtended strand (participates in β ladder)trans-124.3133.3175.3-175.2178.2-67.9-88.34111.4I316 M317 E319 G336 L337 T338 D460 G486 E487I316-R333 WeakPolarHBondContact CA-O 3.11Å; M317-R333 HydrophobicContact CB-CB 4.34Å; M317-R333 PolarHBondContact N-O 2.9Å; M317-R333 PolarHBondContact O-N 3.04Å; E319-R333 HydrophobicContact CG-CB 4.24Å; E319-R333 IonicContact OE1-NE 3.35Å; E319-R333 PolarHBondContact OE1-NE 2.61Å; E319-R333 VanDerWaalsContact OE1-NE 3.1Å; R333-G336 PolarHBondContact NH1-O 2.95Å; R333-L337 WeakPolarHBondContact CA-O 3.48Å; R333-T338 VanDerWaalsContact NH2-CG2 3.27Å; R333-D460 IonicContact CZ-OD1 2.67Å; R333-D460 VanDerWaalsContact CZ-OD1 3.24Å; R333-D460 IonicContact CZ-OD2 3.95Å; R333-D460 IonicContact NH1-OD1 3.26Å; R333-D460 PolarHBondContact NH1-OD1 3.32Å; R333-D460 IonicContact NH2-OD1 2.87Å; R333-D460 PolarHBondContact NH2-OD1 2.85Å; R333-D460 IonicContact NH2-OD2 3Å; R333-D460 PolarHBondContact NH2-OD2 3.45Å; R333-G486 VanDerWaalsContact CD-O 3.28Å; R333-G486 WeakPolarHBondContact CD-O 3.33Å; R333-E487 VanDerWaalsContact CD-O 3.27Å; R333-E487 WeakPolarHBondContact CD-O 3.45Å; R333-E487 WeakPolarHBondContact CG-O 3.31Å
334Q91.7Very high95.8Very high87 Ų8725.7 Ų25.741%0.40712%0.121SC..EExtended strand (participates in β ladder)trans-147.8135.6176.2177.6170.726.700109.5N315 I316 G336 L337N315-Q334 WeakPolarHBondContact O-CG 3.5Å; I316-Q334 HydrophobicContact CG1-CB 4.26Å; I316-Q334 HydrophobicContact CG1-CG 4.27Å; Q334-G336 VanDerWaalsContact C-N 3.26Å; Q334-G336 PolarHBondContact O-N 3.29Å; Q334-L337 PolarHBondContact N-O 3.31Å; Q334-L337 PolarHBondContact O-N 3.28Å; Q334-L337 VanDerWaalsContact O-N 3.1Å
335R89.9Confident95.6Very high157 Ų15727.7 Ų27.759%0.59213%0.129SC*.THydrogen-bonded Turntrans54.238.5176-67.6-172.970.5-168.30.1113.7L337 W420R335-L337 VanDerWaalsContact C-N 3.27Å; R335-L337 PolarHBondContact O-N 3.13Å; R335-W420 HydrophobicContact CB-CH2 4.24Å; R335-W420 HydrophobicContact CB-CZ2 3.92Å; R335-W420 HydrophobicContact CG-CZ2 4.4Å
336G87.5Confident95.4Very high4 Ų432.9 Ų32.94%0.04115%0.148CC..THydrogen-bonded Turntrans83.2-4.9178.300000114.9R333 Q334 E487R333-G336 PolarHBondContact NH1-O 2.95Å; Q334-G336 VanDerWaalsContact C-N 3.26Å; Q334-G336 PolarHBondContact O-N 3.29Å; G336-E487 WeakPolarHBondContact CA-O 3.46Å; G336-E487 PolarHBondContact N-O 3.3Å; G336-E487 VanDerWaalsContact N-O 3.09Å
337L91.6Very high95.3Very high35 Ų3535.2 Ų35.218%0.18316%0.164CC..EExtended strand (participates in β ladder)trans-118.2141.4-175.7-60.4172.6000111.2R333 Q334 R335 Y360R333-L337 WeakPolarHBondContact CA-O 3.48Å; Q334-L337 PolarHBondContact N-O 3.31Å; Q334-L337 PolarHBondContact O-N 3.28Å; Q334-L337 VanDerWaalsContact O-N 3.1Å; R335-L337 VanDerWaalsContact C-N 3.27Å; R335-L337 PolarHBondContact O-N 3.13Å; L337-Y360 HydrophobicContact CB-CE1 4.43Å; L337-Y360 HydrophobicContact CD1-CD1 4.4Å; L337-Y360 HydrophobicContact CD1-CE1 3.91Å; L337-Y360 HydrophobicContact CD2-CD1 4.25Å; L337-Y360 HydrophobicContact CD2-CE1 4.4Å; L337-Y360 WeakPolarHBondContact CD2-O 3.12Å; L337-Y360 HydrophobicContact CG-CE1 4.48Å
338T95.4Very high95Very high0 Ų041 Ų410%019%0.186CC..EExtended strand (participates in β ladder)trans-78.4150.717152.30000111.2E332 R333 Y360 V361 T362E332-T338 CarbonylContact O-C 3.52Å; E332-T338 WeakPolarHBondContact O-CA 3.29Å; R333-T338 VanDerWaalsContact NH2-CG2 3.27Å; T338-Y360 VanDerWaalsContact O-CE2 3.22Å; T338-Y360 WeakPolarHBondContact O-CE2 3.43Å; T338-Y360 PolarHBondContact O-OH 3.39Å; T338-Y360 VanDerWaalsContact O-OH 3.11Å; T338-V361 HydrophobicContact CG2-CG2 4.08Å; T338-V361 WeakPolarHBondContact OG1-CA 3.35Å; T338-T362 VanDerWaalsContact CB-O 3.28Å; T338-T362 WeakPolarHBondContact CB-O 3.46Å; T338-T362 PolarHBondContact OG1-N 3.39Å; T338-T362 PolarHBondContact OG1-O 3.1Å
339S95.5Very high94.9Very high31 Ų3145.5 Ų45.522%0.21721%0.207CC..EExtended strand (participates in β ladder)trans-14615417764.80000110.5E332E332-S339 PolarHBondContact N-O 3.12Å; E332-S339 PolarHBondContact O-N 3.31Å; E332-S339 PolarHBondContact O-OG 2.89Å
340L97.3Very high94.8Very high1 Ų149.3 Ų49.31%0.00523%0.23CC..EExtended strand (participates in β ladder)trans-117134.9176.4-60.1179.7000109.5V330 E331 I353 T362 I364 Y377V330-L340 WeakPolarHBondContact O-CA 3.4Å; E331-L340 HydrophobicContact CB-CD2 3.97Å; E331-L340 HydrophobicContact CG-CD2 3.95Å; L340-I353 HydrophobicContact CB-CB 4.31Å; L340-I353 HydrophobicContact CB-CD1 3.79Å; L340-I353 HydrophobicContact CB-CG1 4.11Å; L340-I353 HydrophobicContact CD1-CD1 4.05Å; L340-I353 PolarHBondContact O-N 2.96Å; L340-T362 HydrophobicContact CD1-CG2 4.39Å; L340-T362 WeakPolarHBondContact CD1-OG1 3.2Å; L340-T362 HydrophobicContact CG-CG2 3.91Å; L340-I364 HydrophobicContact CD2-CD1 4.49Å; L340-I364 HydrophobicContact CD2-CG1 3.68Å; L340-Y377 HydrophobicContact CD1-CD2 3.73Å; L340-Y377 HydrophobicContact CD1-CG 3.79Å
341R96.4Very high94.6Very high42 Ų4252.6 Ų52.616%0.15825%0.247CC..EExtended strand (participates in β ladder)trans-124.6131.3170.7-58.6-170-60102.61.1110.4V329 V330 E332 V350 I351V329-R341 CarbonylContact C-O 3.51Å; V329-R341 WeakPolarHBondContact CA-O 3.46Å; V330-R341 HydrophobicContact CG2-CB 3.83Å; V330-R341 PolarHBondContact N-O 3Å; V330-R341 PolarHBondContact O-N 2.8Å; E332-R341 IonicContact OE1-CZ 2.73Å; E332-R341 IonicContact OE1-NE 3.89Å; E332-R341 PolarHBondContact OE1-NE 3.37Å; E332-R341 IonicContact OE1-NH2 3.04Å; E332-R341 PolarHBondContact OE1-NH2 3.2Å; E332-R341 IonicContact OE2-CZ 3.4Å; E332-R341 IonicContact OE2-NE 3.82Å; E332-R341 PolarHBondContact OE2-NE 2.56Å; E332-R341 IonicContact OE2-NH2 2.78Å; R341-V350 VanDerWaalsContact NH1-CG1 3.34Å; R341-I351 WeakPolarHBondContact CA-O 3.31Å
342Q96.8Very high94.4Very high4 Ų453.2 Ų53.22%0.01926%0.264CS..EExtended strand (participates in β ladder)trans-97.1138.3168.764.1-177.968.100109.8W327 L328 V329 V350 I351 M393W327-Q342 HydrophobicContact CE3-CB 3.88Å; W327-Q342 HydrophobicContact CE3-CG 4.07Å; W327-Q342 HydrophobicContact CZ3-CB 4.22Å; W327-Q342 HydrophobicContact CZ3-CG 3.89Å; W327-Q342 VanDerWaalsContact CZ3-NE2 3.32Å; L328-Q342 CarbonylContact O-C 3.29Å; V329-Q342 HydrophobicContact CG2-CB 4.25Å; Q342-V350 WeakPolarHBondContact O-CA 3.42Å; Q342-I351 HydrophobicContact CG-CB 3.72Å; Q342-I351 HydrophobicContact CG-CG2 4.47Å; Q342-I351 WeakPolarHBondContact CG-O 3.39Å; Q342-I351 PolarHBondContact N-O 2.85Å; Q342-I351 PolarHBondContact O-N 3.39Å; Q342-M393 HydrophobicContact CB-SD 4.27Å; Q342-M393 PolarHBondContact NE2-O 2.89Å
343I97.4Very high93.9Very high18 Ų1854.1 Ų54.19%0.09227%0.268CS..EExtended strand (participates in β ladder)trans-129.5115.8-177-54.5173.6000107.8I310 L328 V330 R345 E349 V350I310-I343 HydrophobicContact CD1-CD1 3.72Å; I310-I343 HydrophobicContact CG1-CD1 4.3Å; L328-I343 HydrophobicContact CB-CB 4.34Å; L328-I343 HydrophobicContact CD2-CB 4.44Å; L328-I343 HydrophobicContact CD2-CD1 4.06Å; L328-I343 PolarHBondContact N-O 2.8Å; L328-I343 PolarHBondContact O-N 2.83Å; V330-I343 HydrophobicContact CG2-CD1 4.49Å; I343-R345 PolarHBondContact O-N 3.11Å; I343-E349 CarbonylContact C-O 3.59Å; I343-E349 VanDerWaalsContact CA-O 3.31Å; I343-E349 WeakPolarHBondContact CA-O 2.99Å; I343-V350 HydrophobicContact CG1-CG1 4.42Å; I343-V350 HydrophobicContact CG1-CG2 4.23Å; I343-V350 HydrophobicContact CG2-CG2 4.3Å
344N97Very high93.4Very high14 Ų1457.6 Ų57.68%0.07530%0.299CS..EExtended strand (participates in β ladder)trans-69.5122.4175.3-170.7-67.2000109.3D326 W327 K346 T347 R348 E349D326-N344 CarbonylContact O-C 3.54Å; W327-N344 HydrophobicContact CD2-CB 4.41Å; W327-N344 HydrophobicContact CE3-CB 3.94Å; W327-N344 HydrophobicContact CH2-CB 3.84Å; W327-N344 HydrophobicContact CZ2-CB 4.29Å; W327-N344 HydrophobicContact CZ3-CB 3.64Å; N344-K346 PolarHBondContact O-N 3.25Å; N344-K346 WeakPolarHBondContact OD1-CA 3.32Å; N344-K346 WeakPolarHBondContact OD1-CB 3.39Å; N344-K346 PolarHBondContact OD1-N 3.09Å; N344-T347 WeakPolarHBondContact CB-OG1 3.02Å; N344-T347 VanDerWaalsContact CG-OG1 3.22Å; N344-T347 PolarHBondContact OD1-N 3.49Å; N344-T347 PolarHBondContact OD1-OG1 2.79Å; N344-R348 VanDerWaalsContact O-CA 3.23Å; N344-R348 WeakPolarHBondContact O-CA 3.01Å; N344-R348 PolarHBondContact O-N 2.89Å; N344-E349 HydrophobicContact CB-CB 4.11Å; N344-E349 PolarHBondContact N-O 3.2Å
345R94.2Very high93.2Very high44 Ų4455.4 Ų55.417%0.16629%0.288CS..THydrogen-bonded Turntrans-70.2-20.9-173.5-65.5171.863.9-127-5.5112.7Q279 Y283 F324 T325 D326 W327 L328 I343Q279-R345 VanDerWaalsContact OE1-CZ 3.29Å; Y283-R345 PolarHBondContact OH-NE 3.12Å; Y283-R345 PolarHBondContact OH-NH2 3.17Å; F324-R345 PolarHBondContact O-NH1 2.78Å; T325-R345 PolarHBondContact O-NH1 2.88Å; D326-R345 WeakPolarHBondContact O-CB 3.35Å; D326-R345 PolarHBondContact O-N 3.1Å; W327-R345 WeakPolarHBondContact O-CD 3.28Å; L328-R345 HydrophobicContact CB-CG 4.03Å; I343-R345 PolarHBondContact O-N 3.11Å
346K92.1Very high92.9Very high148 Ų14855.9 Ų55.964%0.64330%0.302SS*.THydrogen-bonded Turntrans-95.4-54.5179-65.6169.6177.1160.60111.6D326 N344D326-K346 WeakPolarHBondContact OD1-CE 3.32Å; D326-K346 IonicContact OD1-NZ 2.98Å; D326-K346 PolarHBondContact OD1-NZ 2.88Å; D326-K346 IonicContact OD2-NZ 3.15Å; D326-K346 PolarHBondContact OD2-NZ 3.25Å; N344-K346 PolarHBondContact O-N 3.25Å; N344-K346 WeakPolarHBondContact OD1-CA 3.32Å; N344-K346 WeakPolarHBondContact OD1-CB 3.39Å; N344-K346 PolarHBondContact OD1-N 3.09Å
347T94.5Very high92.9Very high93 Ų9356.6 Ų56.657%0.57131%0.306SS*.THydrogen-bonded Turntrans-86.3-16-173.167.50000113.5N344 E349N344-T347 WeakPolarHBondContact CB-OG1 3.02Å; N344-T347 VanDerWaalsContact CG-OG1 3.22Å; N344-T347 PolarHBondContact OD1-N 3.49Å; N344-T347 PolarHBondContact OD1-OG1 2.79Å; T347-E349 PolarHBondContact O-N 2.94Å; T347-E349 WeakPolarHBondContact OG1-CB 3.12Å; T347-E349 PolarHBondContact OG1-N 2.84Å
348R92.4Very high92.7Very high125 Ų12558.1 Ų58.147%0.47232%0.318SS..  trans62.914.6-171.2-55.8-74.7-170152.83.9113.9E307 N344E307-R348 IonicContact OE1-NH2 3.44Å; E307-R348 PolarHBondContact OE1-NH2 2.84Å; N344-R348 VanDerWaalsContact O-CA 3.23Å; N344-R348 WeakPolarHBondContact O-CA 3.01Å; N344-R348 PolarHBondContact O-N 2.89Å
349E94.8Very high92.5Very high101 Ų10158.1 Ų58.147%0.47232%0.318SS..  trans-58.8137.3170-179.8173.7-155.800110.5I343 N344 T347 I351I343-E349 CarbonylContact C-O 3.59Å; I343-E349 VanDerWaalsContact CA-O 3.31Å; I343-E349 WeakPolarHBondContact CA-O 2.99Å; N344-E349 HydrophobicContact CB-CB 4.11Å; N344-E349 PolarHBondContact N-O 3.2Å; T347-E349 PolarHBondContact O-N 2.94Å; T347-E349 WeakPolarHBondContact OG1-CB 3.12Å; T347-E349 PolarHBondContact OG1-N 2.84Å; E349-I351 HydrophobicContact CG-CD1 4.26Å; E349-I351 HydrophobicContact CG-CG1 4.16Å
350V96Very high92.4Very high81 Ų8158 Ų5849%0.49131%0.313SS..EExtended strand (participates in β ladder)trans-125124.9-178.9-178.70000108.9R341 Q342 I343R341-V350 VanDerWaalsContact NH1-CG1 3.34Å; Q342-V350 WeakPolarHBondContact O-CA 3.42Å; I343-V350 HydrophobicContact CG1-CG1 4.42Å; I343-V350 HydrophobicContact CG1-CG2 4.23Å; I343-V350 HydrophobicContact CG2-CG2 4.3Å
351I94.6Very high92.4Very high69 Ų6958.5 Ų58.535%0.35432%0.316SS..EExtended strand (participates in β ladder)trans-128.5131.1177.9-57.6168.5000108.1W327 R341 Q342 E349W327-I351 HydrophobicContact CH2-CD1 4.49Å; R341-I351 WeakPolarHBondContact CA-O 3.31Å; Q342-I351 HydrophobicContact CG-CB 3.72Å; Q342-I351 HydrophobicContact CG-CG2 4.47Å; Q342-I351 WeakPolarHBondContact CG-O 3.39Å; Q342-I351 PolarHBondContact N-O 2.85Å; Q342-I351 PolarHBondContact O-N 3.39Å; E349-I351 HydrophobicContact CG-CD1 4.26Å; E349-I351 HydrophobicContact CG-CG1 4.16Å
352G93.4Very high92.5Very high51 Ų5156.5 Ų56.553%0.52631%0.308SS..EExtended strand (participates in β ladder)trans-92.5147.7171.800000111.2
353I88.3Confident92.5Very high22 Ų2260.3 Ų60.311%0.11332%0.322CS..PPolyproline II helixtrans-89.6118.1172.9-52.8-176.3000108.4L340 F355 L375 Y377 L391L340-I353 HydrophobicContact CB-CB 4.31Å; L340-I353 HydrophobicContact CB-CD1 3.79Å; L340-I353 HydrophobicContact CB-CG1 4.11Å; L340-I353 HydrophobicContact CD1-CD1 4.05Å; L340-I353 PolarHBondContact O-N 2.96Å; I353-F355 HydrophobicContact CB-CE2 4.14Å; I353-F355 HydrophobicContact CB-CZ 4.15Å; I353-F355 HydrophobicContact CG2-CE1 4.06Å; I353-F355 HydrophobicContact CG2-CE2 3.89Å; I353-F355 HydrophobicContact CG2-CZ 3.49Å; I353-F355 VanDerWaalsContact CG2-CZ 3.49Å; I353-F355 WeakPolarHBondContact O-CD2 3.41Å; I353-F355 VanDerWaalsContact O-CE2 3.31Å; I353-F355 WeakPolarHBondContact O-CE2 3.49Å; I353-L375 HydrophobicContact CD1-CD2 3.91Å; I353-Y377 HydrophobicContact CD1-CD1 4.28Å; I353-Y377 HydrophobicContact CD1-CE1 4.22Å; I353-Y377 HydrophobicContact CG2-CE2 4.38Å; I353-L391 HydrophobicContact CD1-CD2 3.59Å; I353-L391 HydrophobicContact CG1-CD2 4.02Å
354A84.4Confident92.5Very high83 Ų8360.7 Ų60.769%0.68632%0.324SS*.PPolyproline II helixtrans-90.2144.2-178.400000112.5
355F87.9Confident92.5Very high40 Ų4061 Ų6118%0.17533%0.328CS..  trans-132.3151.9178.5-56.6-78.3000110.2I353 Y360 T362 Y377 Y379I353-F355 HydrophobicContact CB-CE2 4.14Å; I353-F355 HydrophobicContact CB-CZ 4.15Å; I353-F355 HydrophobicContact CG2-CE1 4.06Å; I353-F355 HydrophobicContact CG2-CE2 3.89Å; I353-F355 HydrophobicContact CG2-CZ 3.49Å; I353-F355 VanDerWaalsContact CG2-CZ 3.49Å; I353-F355 WeakPolarHBondContact O-CD2 3.41Å; I353-F355 VanDerWaalsContact O-CE2 3.31Å; I353-F355 WeakPolarHBondContact O-CE2 3.49Å; F355-Y360 HydrophobicContact CB-CD1 4.41Å; F355-Y360 HydrophobicContact CB-CD2 4.21Å; F355-Y360 HydrophobicContact CB-CE1 4.15Å; F355-Y360 HydrophobicContact CB-CE2 3.99Å; F355-Y360 HydrophobicContact CB-CG 4.44Å; F355-Y360 HydrophobicContact CD2-CD2 4.2Å; F355-Y360 AromaticContact CD2-CE2 3.46Å; F355-Y360 HydrophobicContact CD2-CE2 3.46Å; F355-Y360 VanDerWaalsContact CD2-CE2 3.46Å; F355-Y360 AromaticContact CD2-CZ 3.81Å; F355-Y360 HydrophobicContact CE2-CE2 4.15Å; F355-Y360 HydrophobicContact CG-CD2 4.17Å; F355-Y360 AromaticContact CG-CE2 3.84Å; F355-Y360 HydrophobicContact CG-CE2 3.84Å; F355-T362 HydrophobicContact CD2-CG2 4.41Å; F355-T362 HydrophobicContact CE2-CG2 3.63Å; F355-T362 HydrophobicContact CZ-CG2 3.94Å; F355-T362 WeakPolarHBondContact CZ-OG1 3.29Å; F355-Y377 AromaticContact CE1-CE2 3.75Å; F355-Y377 HydrophobicContact CE1-CE2 3.75Å; F355-Y377 HydrophobicContact CZ-CD2 4.4Å; F355-Y377 AromaticContact CZ-CE2 3.75Å; F355-Y377 HydrophobicContact CZ-CE2 3.75Å; F355-Y379 HydrophobicContact CB-CE2 3.94Å; F355-Y379 AromaticContact CD1-CD2 3.27Å; F355-Y379 HydrophobicContact CD1-CD2 3.27Å; F355-Y379 AromaticContact CD1-CE2 3.42Å; F355-Y379 HydrophobicContact CD1-CE2 3.42Å; F355-Y379 VanDerWaalsContact CD1-CE2 3.42Å; F355-Y379 HydrophobicContact CD1-CG 4.17Å; F355-Y379 AromaticContact CE1-CD2 3.5Å; F355-Y379 HydrophobicContact CE1-CD2 3.5Å; F355-Y379 VanDerWaalsContact CE1-CD2 3.5Å; F355-Y379 HydrophobicContact CE1-CE2 4.15Å; F355-Y379 HydrophobicContact CE1-CG 4.16Å; F355-Y379 HydrophobicContact CG-CD2 4.01Å; F355-Y379 AromaticContact CG-CE2 3.86Å; F355-Y379 HydrophobicContact CG-CE2 3.86Å; F355-Y379 HydrophobicContact CZ-CD2 4.4Å
356D84.2Confident92.7Very high167 Ų16764.4 Ų64.489%0.89334%0.342SS*.  trans-121.961.5-175.6-168.223.4000111.1
357D86.9Confident92.9Very high20 Ų2058.8 Ų58.811%0.10732%0.319CS..  trans-145.7140.2171-169.6-53.9000108.3A359 Y360 Y379 S381 T383 S416D357-A359 VanDerWaalsContact C-N 3.33Å; D357-A359 PolarHBondContact O-N 2.97Å; D357-A359 PolarHBondContact OD1-N 3.2Å; D357-Y360 WeakPolarHBondContact O-CD1 3.47Å; D357-Y379 VanDerWaalsContact CB-OH 3.3Å; D357-Y379 WeakPolarHBondContact CB-OH 3.29Å; D357-S381 WeakPolarHBondContact OD2-CB 3.33Å; D357-S381 PolarHBondContact OD2-OG 3.33Å; D357-T383 PolarHBondContact OD2-OG1 3.46Å; D357-S416 PolarHBondContact OD1-OG 3.36Å
358P87.9Confident93Very high67 Ų6755.8 Ų55.844%0.43530%0.301SS..SBendtrans-68.7-26.4178.427-36.8000114.4H418P358-H418 HydrophobicContact CB-CB 4.28Å; P358-H418 WeakPolarHBondContact O-CB 3.31Å
359A90Very high93.1Very high0 Ų052.1 Ų52.10%029%0.29CS..SBendtrans-137.489.4-174.700000109.6D357 S381 H418 A461D357-A359 VanDerWaalsContact C-N 3.33Å; D357-A359 PolarHBondContact O-N 2.97Å; D357-A359 PolarHBondContact OD1-N 3.2Å; A359-S381 WeakPolarHBondContact O-CB 3.2Å; A359-H418 HydrophobicContact CB-CB 4.27Å; A359-A461 HydrophobicContact CB-CB 3.88Å
360Y94.6Very high93.2Very high29 Ų2948 Ų4811%0.11427%0.271CS..EExtended strand (participates in β ladder)trans-133.8168.4-175.873.6-86000112.3L337 T338 F355 D357 T362 Y379 S380L337-Y360 HydrophobicContact CB-CE1 4.43Å; L337-Y360 HydrophobicContact CD1-CD1 4.4Å; L337-Y360 HydrophobicContact CD1-CE1 3.91Å; L337-Y360 HydrophobicContact CD2-CD1 4.25Å; L337-Y360 HydrophobicContact CD2-CE1 4.4Å; L337-Y360 WeakPolarHBondContact CD2-O 3.12Å; L337-Y360 HydrophobicContact CG-CE1 4.48Å; T338-Y360 VanDerWaalsContact O-CE2 3.22Å; T338-Y360 WeakPolarHBondContact O-CE2 3.43Å; T338-Y360 PolarHBondContact O-OH 3.39Å; T338-Y360 VanDerWaalsContact O-OH 3.11Å; F355-Y360 HydrophobicContact CB-CD1 4.41Å; F355-Y360 HydrophobicContact CB-CD2 4.21Å; F355-Y360 HydrophobicContact CB-CE1 4.15Å; F355-Y360 HydrophobicContact CB-CE2 3.99Å; F355-Y360 HydrophobicContact CB-CG 4.44Å; F355-Y360 HydrophobicContact CD2-CD2 4.2Å; F355-Y360 AromaticContact CD2-CE2 3.46Å; F355-Y360 HydrophobicContact CD2-CE2 3.46Å; F355-Y360 VanDerWaalsContact CD2-CE2 3.46Å; F355-Y360 AromaticContact CD2-CZ 3.81Å; F355-Y360 HydrophobicContact CE2-CE2 4.15Å; F355-Y360 HydrophobicContact CG-CD2 4.17Å; F355-Y360 AromaticContact CG-CE2 3.84Å; F355-Y360 HydrophobicContact CG-CE2 3.84Å; D357-Y360 WeakPolarHBondContact O-CD1 3.47Å; Y360-T362 HydrophobicContact CE2-CG2 4.12Å; Y360-Y379 HydrophobicContact CD2-CD2 4.19Å; Y360-Y379 AromaticContact CD2-CE2 3.78Å; Y360-Y379 HydrophobicContact CD2-CE2 3.78Å; Y360-Y379 AromaticContact CG-CE2 3.91Å; Y360-Y379 HydrophobicContact CG-CE2 3.91Å; Y360-S380 WeakPolarHBondContact CA-O 3.39Å; Y360-S380 WeakPolarHBondContact CB-O 3.23Å
361V96.8Very high93.2Very high11 Ų1149.7 Ų49.77%0.06727%0.274CS..EExtended strand (participates in β ladder)trans-133.1145.9169.362.30000110.2T338 W363 Y379 S380 D460 D462T338-V361 HydrophobicContact CG2-CG2 4.08Å; T338-V361 WeakPolarHBondContact OG1-CA 3.35Å; V361-W363 HydrophobicContact CG1-CE3 4.45Å; V361-W363 HydrophobicContact CG1-CZ3 4.11Å; V361-W363 HydrophobicContact CG2-CE3 4.4Å; V361-Y379 WeakPolarHBondContact O-CA 3.44Å; V361-S380 PolarHBondContact N-O 2.99Å; V361-S380 PolarHBondContact O-N 2.84Å; V361-S380 VanDerWaalsContact O-O 3.13Å; V361-D460 HydrophobicContact CB-CB 3.83Å; V361-D460 HydrophobicContact CG1-CB 4.32Å; V361-D460 HydrophobicContact CG2-CB 3.7Å; V361-D462 HydrophobicContact CG1-CB 4.01Å
362T97.5Very high93.3Very high0 Ų048.6 Ų48.60%027%0.271CS..EExtended strand (participates in β ladder)trans-141.7146174.3-171.10000108.9T338 L340 F355 Y360 G378T338-T362 VanDerWaalsContact CB-O 3.28Å; T338-T362 WeakPolarHBondContact CB-O 3.46Å; T338-T362 PolarHBondContact OG1-N 3.39Å; T338-T362 PolarHBondContact OG1-O 3.1Å; L340-T362 HydrophobicContact CD1-CG2 4.39Å; L340-T362 WeakPolarHBondContact CD1-OG1 3.2Å; L340-T362 HydrophobicContact CG-CG2 3.91Å; F355-T362 HydrophobicContact CD2-CG2 4.41Å; F355-T362 HydrophobicContact CE2-CG2 3.63Å; F355-T362 HydrophobicContact CZ-CG2 3.94Å; F355-T362 WeakPolarHBondContact CZ-OG1 3.29Å; Y360-T362 HydrophobicContact CE2-CG2 4.12Å; T362-G378 VanDerWaalsContact CA-O 3.22Å; T362-G378 WeakPolarHBondContact CA-O 3.44Å; T362-G378 WeakPolarHBondContact CB-O 3.43Å; T362-G378 PolarHBondContact OG1-O 3.3Å
363W97.6Very high93.4Very high84 Ų8447.2 Ų47.232%0.31825%0.254SS..EExtended strand (participates in β ladder)trans-146.9155.3-176.462.597.9000110.4E331 V361 A365 Y377 G378E331-W363 WeakPolarHBondContact OE2-CA 3.45Å; V361-W363 HydrophobicContact CG1-CE3 4.45Å; V361-W363 HydrophobicContact CG1-CZ3 4.11Å; V361-W363 HydrophobicContact CG2-CE3 4.4Å; W363-A365 PolarHBondContact O-N 2.92Å; W363-Y377 WeakPolarHBondContact O-CA 3.35Å; W363-Y377 WeakPolarHBondContact O-CB 3.28Å; W363-G378 PolarHBondContact N-O 3.15Å; W363-G378 PolarHBondContact O-N 2.94Å
364I97.8Very high93.9Very high25 Ų2551.7 Ų51.713%0.12827%0.269CS..EExtended strand (participates in β ladder)trans-72120.2170-56.6173.6000108.4T322 V329 E331 L340 L375T322-I364 WeakPolarHBondContact OG1-CG2 3.02Å; V329-I364 HydrophobicContact CB-CD1 4.26Å; V329-I364 HydrophobicContact CG1-CD1 3.8Å; V329-I364 HydrophobicContact CG1-CG1 4.09Å; E331-I364 HydrophobicContact CB-CD1 4.13Å; E331-I364 HydrophobicContact CB-CG1 4.29Å; E331-I364 PolarHBondContact OE2-N 2.96Å; L340-I364 HydrophobicContact CD2-CD1 4.49Å; L340-I364 HydrophobicContact CD2-CG1 3.68Å; I364-L375 HydrophobicContact CG2-CD1 4.12Å
365A97.7Very high94.5Very high20 Ų2047.8 Ų47.817%0.16524%0.237CC..  trans-82.5-171.2-179.200000111.5W363 N367 R376 L388W363-A365 PolarHBondContact O-N 2.92Å; A365-N367 PolarHBondContact O-N 3.34Å; A365-N367 VanDerWaalsContact O-N 3.12Å; A365-N367 PolarHBondContact O-ND2 3.06Å; A365-R376 HydrophobicContact CB-CB 4.2Å; A365-R376 WeakPolarHBondContact CB-O 3.25Å; A365-R376 PolarHBondContact N-O 3.37Å; A365-L388 HydrophobicContact CB-CD1 3.51Å
366Y96.4Very high95Very high117 Ų11747.8 Ų47.846%0.45924%0.236SC..  trans-68.4111.5178.9-170.9-123.8000112Y78 K80 P368Y78-Y366 HydrophobicContact CD1-CD1 4.23Å; Y78-Y366 HydrophobicContact CD1-CE1 4.5Å; Y78-Y366 HydrophobicContact CD2-CD1 4.12Å; Y78-Y366 AromaticContact CD2-CE1 3.77Å; Y78-Y366 HydrophobicContact CD2-CE1 3.77Å; Y78-Y366 HydrophobicContact CE1-CD1 4.36Å; Y78-Y366 HydrophobicContact CE1-CE1 4.36Å; Y78-Y366 HydrophobicContact CE2-CD1 4.28Å; Y78-Y366 AromaticContact CE2-CE1 3.61Å; Y78-Y366 HydrophobicContact CE2-CE1 3.61Å; Y78-Y366 HydrophobicContact CG-CD1 4.09Å; Y78-Y366 HydrophobicContact CG-CE1 4.21Å; Y78-Y366 AromaticContact CZ-CE1 3.91Å; K80-Y366 PolarHBondContact NZ-OH 2.61Å; Y366-P368 HydrophobicContact CD1-CB 4.41Å; Y366-P368 HydrophobicContact CD1-CG 4.1Å; Y366-P368 HydrophobicContact CE1-CB 3.68Å; Y366-P368 HydrophobicContact CE1-CG 3.73Å; Y366-P368 HydrophobicContact CE2-CB 4.36Å; Y366-P368 WeakPolarHBondContact O-CD 3.5Å
367N97.6Very high95.7Very high29 Ų2939.8 Ų39.816%0.15519%0.193CC..  trans-119.980.3178.4-70.5-83.2000109.8T322 F324 A365 E369 R376T322-N367 HydrophobicContact CG2-CB 4.17Å; F324-N367 HydrophobicContact CE1-CB 4.17Å; F324-N367 HydrophobicContact CZ-CB 3.94Å; A365-N367 PolarHBondContact O-N 3.34Å; A365-N367 VanDerWaalsContact O-N 3.12Å; A365-N367 PolarHBondContact O-ND2 3.06Å; N367-E369 PolarHBondContact O-N 3.11Å; N367-R376 PolarHBondContact ND2-O 2.95Å; N367-R376 PolarHBondContact OD1-N 2.95Å
368P95.4Very high96.2Very high30 Ų3038.9 Ų38.920%0.19519%0.189CC..  trans-72.8-22.7-171.726.3-35.5000115.4Y78 I79 K80 Y366Y78-P368 HydrophobicContact CD2-CG 4.09Å; I79-P368 WeakPolarHBondContact O-CG 3.26Å; K80-P368 HydrophobicContact CB-CB 4.15Å; K80-P368 HydrophobicContact CB-CG 4.33Å; K80-P368 HydrophobicContact CD-CB 4.17Å; K80-P368 HydrophobicContact CG-CB 4.11Å; Y366-P368 HydrophobicContact CD1-CB 4.41Å; Y366-P368 HydrophobicContact CD1-CG 4.1Å; Y366-P368 HydrophobicContact CE1-CB 3.68Å; Y366-P368 HydrophobicContact CE1-CG 3.73Å; Y366-P368 HydrophobicContact CE2-CB 4.36Å; Y366-P368 WeakPolarHBondContact O-CD 3.5Å
369E95.8Very high96.6Very high49 Ų4936.7 Ų36.723%0.22917%0.172CC..  trans-116.6119.5-175.9-66.1-63.1164.200109.5K80 N81 N367 E371 T372K80-E369 WeakPolarHBondContact CA-OE1 3.36Å; N81-E369 PolarHBondContact N-OE1 3.06Å; N367-E369 PolarHBondContact O-N 3.11Å; E369-E371 VanDerWaalsContact C-N 3.3Å; E369-T372 WeakPolarHBondContact O-CG2 3.4Å
370P97Very high97Very high13 Ų1336.7 Ų36.78%0.08417%0.172CC..SBendtrans-78.2-17.7179.332.8-36.8000112.5T232 Y278 L323 F324 T325 T372T232-P370 HydrophobicContact CG2-CB 3.52Å; T232-P370 HydrophobicContact CG2-CG 3.61Å; Y278-P370 HydrophobicContact CD2-CB 4.43Å; Y278-P370 HydrophobicContact CD2-CG 4.36Å; Y278-P370 HydrophobicContact CE1-CB 4.4Å; Y278-P370 HydrophobicContact CE2-CB 3.76Å; Y278-P370 HydrophobicContact CE2-CG 3.63Å; L323-P370 WeakPolarHBondContact O-CB 3.42Å; F324-P370 CarbonylContact C-O 3.56Å; F324-P370 VanDerWaalsContact CA-O 3.28Å; F324-P370 WeakPolarHBondContact CA-O 3.15Å; T325-P370 PolarHBondContact N-O 2.93Å; T325-P370 PolarHBondContact OG1-O 2.76Å; P370-T372 PolarHBondContact O-N 2.96Å
371E96.1Very high97.1Very high118 Ų11835.3 Ų35.355%0.55117%0.166SC*.SBendtrans-80.257.3-175.8-55-51.715100113.2Y278 T325 E369Y278-E371 WeakPolarHBondContact CE2-OE1 3.46Å; Y278-E371 PolarHBondContact OH-OE1 3.29Å; Y278-E371 PolarHBondContact OH-OE2 2.85Å; T325-E371 VanDerWaalsContact OG1-CA 3.27Å; T325-E371 WeakPolarHBondContact OG1-CA 3.47Å; T325-E371 PolarHBondContact OG1-OE2 2.84Å; E369-E371 VanDerWaalsContact C-N 3.3Å
372T96Very high97.1Very high46 Ų4635 Ų3528%0.28216%0.164SC..  trans-156.8154.3-176.2-174.60000111.5F324 E369 P370 R374F324-T372 HydrophobicContact CD1-CG2 3.72Å; F324-T372 HydrophobicContact CE1-CG2 3.92Å; E369-T372 WeakPolarHBondContact O-CG2 3.4Å; P370-T372 PolarHBondContact O-N 2.96Å; T372-R374 VanDerWaalsContact C-N 3.35Å; T372-R374 WeakPolarHBondContact OG1-CB 3.44Å; T372-R374 PolarHBondContact OG1-N 3.08Å
373A96.4Very high97.1Very high21 Ų2135.9 Ų35.917%0.17417%0.169CC..SBendtrans-91.30.4166.900000112.6M393 D394A373-M393 WeakPolarHBondContact O-CB 3.47Å; A373-M393 VanDerWaalsContact O-CE 3.24Å; A373-M393 WeakPolarHBondContact O-CE 3.37Å; A373-M393 WeakPolarHBondContact O-CG 3.17Å; A373-M393 PolarHBondContact O-N 3.41Å; A373-D394 VanDerWaalsContact CB-OD2 3.25Å; A373-D394 WeakPolarHBondContact CB-OD2 3.46Å
374R97.2Very high97Very high117 Ų11733.4 Ų33.444%0.44216%0.163SC..EExtended strand (participates in β ladder)trans-96.3110.5-173.6-63.9176.4176.8-169.55.5111.3T372 E390 L391T372-R374 VanDerWaalsContact C-N 3.35Å; T372-R374 WeakPolarHBondContact OG1-CB 3.44Å; T372-R374 PolarHBondContact OG1-N 3.08Å; R374-E390 HydrophobicContact CB-CG 3.86Å; R374-E390 WeakPolarHBondContact CD-OE1 3.33Å; R374-E390 HydrophobicContact CG-CG 4.38Å; R374-E390 IonicContact NE-OE1 3.93Å; R374-E390 IonicContact NH1-OE1 3.91Å; R374-L391 CarbonylContact C-O 3.52Å; R374-L391 WeakPolarHBondContact CA-O 3.1Å
375L98.1Very high96.9Very high0 Ų032.7 Ų32.70%016%0.16CC..EExtended strand (participates in β ladder)trans-86.4125.6171.6168.966.1000109.9F324 V329 I353 I364 Y377 E390 L391 M393F324-L375 HydrophobicContact CE2-CD1 4.03Å; F324-L375 HydrophobicContact CZ-CB 4.33Å; F324-L375 HydrophobicContact CZ-CD1 3.79Å; V329-L375 HydrophobicContact CB-CD1 4.43Å; V329-L375 HydrophobicContact CG1-CD1 4.16Å; V329-L375 HydrophobicContact CG1-CD2 3.82Å; V329-L375 HydrophobicContact CG2-CD1 4.17Å; V329-L375 HydrophobicContact CG2-CD2 4.05Å; I353-L375 HydrophobicContact CD1-CD2 3.91Å; I364-L375 HydrophobicContact CG2-CD1 4.12Å; L375-Y377 HydrophobicContact CD2-CD1 4.23Å; L375-Y377 HydrophobicContact CG-CD1 4.32Å; L375-E390 CarbonylContact O-C 3.56Å; L375-E390 VanDerWaalsContact O-CA 3.3Å; L375-E390 WeakPolarHBondContact O-CA 3.36Å; L375-L391 HydrophobicContact CB-CB 4.43Å; L375-L391 HydrophobicContact CD2-CD2 4.45Å; L375-L391 PolarHBondContact N-O 2.74Å; L375-L391 PolarHBondContact O-N 3.31Å; L375-M393 HydrophobicContact CB-CE 4.19Å; L375-M393 HydrophobicContact CB-CG 4.02Å; L375-M393 HydrophobicContact CB-SD 3.91Å
376R98.3Very high96.9Very high40 Ų4034.8 Ų34.815%0.15117%0.169CC..EExtended strand (participates in β ladder)trans-91.9128.5163.2-63.3179.8175.3-150.2-2.7109.9P77 A365 N367 L388 F389 E390 L401P77-R376 VanDerWaalsContact O-CZ 3.26Å; P77-R376 PolarHBondContact O-NH1 2.94Å; P77-R376 PolarHBondContact O-NH2 2.9Å; A365-R376 HydrophobicContact CB-CB 4.2Å; A365-R376 WeakPolarHBondContact CB-O 3.25Å; A365-R376 PolarHBondContact N-O 3.37Å; N367-R376 PolarHBondContact ND2-O 2.95Å; N367-R376 PolarHBondContact OD1-N 2.95Å; R376-L388 HydrophobicContact CB-CD1 4.42Å; R376-F389 WeakPolarHBondContact CA-O 3.23Å; R376-E390 HydrophobicContact CG-CG 4.47Å; R376-E390 IonicContact NE-OE2 2.9Å; R376-L401 HydrophobicContact CG-CD1 4.13Å
377Y98.1Very high96.9Very high0 Ų029.4 Ų29.40%015%0.148CC..EExtended strand (participates in β ladder)trans-145148.7179.377.5-90.1000110.9L340 I353 F355 W363 L375 F389 L391 R398L340-Y377 HydrophobicContact CD1-CD2 3.73Å; L340-Y377 HydrophobicContact CD1-CG 3.79Å; I353-Y377 HydrophobicContact CD1-CD1 4.28Å; I353-Y377 HydrophobicContact CD1-CE1 4.22Å; I353-Y377 HydrophobicContact CG2-CE2 4.38Å; F355-Y377 AromaticContact CE1-CE2 3.75Å; F355-Y377 HydrophobicContact CE1-CE2 3.75Å; F355-Y377 HydrophobicContact CZ-CD2 4.4Å; F355-Y377 AromaticContact CZ-CE2 3.75Å; F355-Y377 HydrophobicContact CZ-CE2 3.75Å; W363-Y377 WeakPolarHBondContact O-CA 3.35Å; W363-Y377 WeakPolarHBondContact O-CB 3.28Å; L375-Y377 HydrophobicContact CD2-CD1 4.23Å; L375-Y377 HydrophobicContact CG-CD1 4.32Å; Y377-F389 HydrophobicContact CD1-CB 3.89Å; Y377-F389 HydrophobicContact CD2-CB 4.45Å; Y377-F389 HydrophobicContact CE1-CB 3.38Å; Y377-F389 HydrophobicContact CE1-CG 4.2Å; Y377-F389 HydrophobicContact CE2-CB 3.99Å; Y377-F389 AromaticContact CE2-CD2 3.8Å; Y377-F389 HydrophobicContact CE2-CD2 3.8Å; Y377-F389 HydrophobicContact CE2-CG 4.19Å; Y377-F389 HydrophobicContact CG-CB 4.41Å; Y377-F389 VanDerWaalsContact CZ-CB 3.45Å; Y377-F389 AromaticContact CZ-CD2 3.84Å; Y377-F389 AromaticContact CZ-CG 3.77Å; Y377-F389 PolarHBondContact N-O 2.85Å; Y377-F389 VanDerWaalsContact N-O 3.09Å; Y377-F389 PolarHBondContact O-N 2.79Å; Y377-L391 HydrophobicContact CD1-CB 4.31Å; Y377-L391 HydrophobicContact CE1-CB 3.99Å; Y377-R398 WeakPolarHBondContact OH-CD 3.25Å
378G97.5Very high96.9Very high1 Ų130 Ų301%0.0115%0.151CC..EExtended strand (participates in β ladder)trans-96.6155178.500000112.2T362 W363 T387T362-G378 VanDerWaalsContact CA-O 3.22Å; T362-G378 WeakPolarHBondContact CA-O 3.44Å; T362-G378 WeakPolarHBondContact CB-O 3.43Å; T362-G378 PolarHBondContact OG1-O 3.3Å; W363-G378 PolarHBondContact N-O 3.15Å; W363-G378 PolarHBondContact O-N 2.94Å; G378-T387 WeakPolarHBondContact CA-O 3.48Å
379Y97.4Very high97Very high21 Ų2129.8 Ų29.88%0.08215%0.147CC..EExtended strand (participates in β ladder)trans-145.1139.4173.9172-95.7000109.1F355 D357 Y360 V361 T384 T387 F389F355-Y379 HydrophobicContact CB-CE2 3.94Å; F355-Y379 AromaticContact CD1-CD2 3.27Å; F355-Y379 HydrophobicContact CD1-CD2 3.27Å; F355-Y379 AromaticContact CD1-CE2 3.42Å; F355-Y379 HydrophobicContact CD1-CE2 3.42Å; F355-Y379 VanDerWaalsContact CD1-CE2 3.42Å; F355-Y379 HydrophobicContact CD1-CG 4.17Å; F355-Y379 AromaticContact CE1-CD2 3.5Å; F355-Y379 HydrophobicContact CE1-CD2 3.5Å; F355-Y379 VanDerWaalsContact CE1-CD2 3.5Å; F355-Y379 HydrophobicContact CE1-CE2 4.15Å; F355-Y379 HydrophobicContact CE1-CG 4.16Å; F355-Y379 HydrophobicContact CG-CD2 4.01Å; F355-Y379 AromaticContact CG-CE2 3.86Å; F355-Y379 HydrophobicContact CG-CE2 3.86Å; F355-Y379 HydrophobicContact CZ-CD2 4.4Å; D357-Y379 VanDerWaalsContact CB-OH 3.3Å; D357-Y379 WeakPolarHBondContact CB-OH 3.29Å; Y360-Y379 HydrophobicContact CD2-CD2 4.19Å; Y360-Y379 AromaticContact CD2-CE2 3.78Å; Y360-Y379 HydrophobicContact CD2-CE2 3.78Å; Y360-Y379 AromaticContact CG-CE2 3.91Å; Y360-Y379 HydrophobicContact CG-CE2 3.91Å; V361-Y379 WeakPolarHBondContact O-CA 3.44Å; Y379-T384 HydrophobicContact CD1-CG2 4.32Å; Y379-T384 HydrophobicContact CE1-CG2 3.88Å; Y379-T387 PolarHBondContact N-O 2.9Å; Y379-T387 PolarHBondContact O-N 3.49Å; Y379-F389 HydrophobicContact CD1-CE2 4.33Å; Y379-F389 HydrophobicContact CG-CE2 4.31Å
380S97.5Very high97.1Very high0 Ų028 Ų280%014%0.139CC..EExtended strand (participates in β ladder)trans-151.3156.5171.5-164.50000109.3Y360 V361 T384 D386 F463Y360-S380 WeakPolarHBondContact CA-O 3.39Å; Y360-S380 WeakPolarHBondContact CB-O 3.23Å; V361-S380 PolarHBondContact N-O 2.99Å; V361-S380 PolarHBondContact O-N 2.84Å; V361-S380 VanDerWaalsContact O-O 3.13Å; S380-T384 PolarHBondContact OG-O 3.44Å; S380-D386 WeakPolarHBondContact CB-OD1 3.27Å; S380-D386 PolarHBondContact OG-OD1 3.25Å; S380-F463 WeakPolarHBondContact OG-CB 3.48Å; S380-F463 PolarHBondContact OG-N 2.97Å
381S97.2Very high97.1Very high0 Ų028 Ų280%014%0.138CC..EExtended strand (participates in β ladder)trans-142.1169.416981.80000109.6D357 A359 T383 T384 A461 D462 F463D357-S381 WeakPolarHBondContact OD2-CB 3.33Å; D357-S381 PolarHBondContact OD2-OG 3.33Å; A359-S381 WeakPolarHBondContact O-CB 3.2Å; S381-T383 PolarHBondContact O-N 3.46Å; S381-T383 PolarHBondContact OG-N 3.15Å; S381-T383 PolarHBondContact OG-OG1 2.99Å; S381-T384 PolarHBondContact N-O 2.85Å; S381-T384 PolarHBondContact O-N 3.32Å; S381-T384 VanDerWaalsContact O-N 3.11Å; S381-T384 WeakPolarHBondContact OG-CB 3.31Å; S381-T384 PolarHBondContact OG-N 2.9Å; S381-T384 PolarHBondContact OG-OG1 3.41Å; S381-A461 CarbonylContact C-O 3.53Å; S381-A461 WeakPolarHBondContact CA-O 3.38Å; S381-D462 CarbonylContact O-C 3.53Å; S381-F463 WeakPolarHBondContact O-CA 3.47Å; S381-F463 VanDerWaalsContact O-CB 3.31Å; S381-F463 WeakPolarHBondContact O-CB 3.33Å; S381-F463 PolarHBondContact O-N 3.26Å
382M96.7Very high97.2Very high5 Ų524.2 Ų24.23%0.02512%0.122CC..THydrogen-bonded Turntrans-60-11.7175.3-53.2-174.985.900113.5V434 A461 D462 Y477 I479M382-V434 HydrophobicContact CB-CB 3.82Å; M382-V434 HydrophobicContact CB-CG1 4.2Å; M382-V434 HydrophobicContact CB-CG2 4.1Å; M382-V434 HydrophobicContact CE-CB 3.89Å; M382-V434 HydrophobicContact CE-CG1 3.49Å; M382-V434 VanDerWaalsContact CE-CG1 3.49Å; M382-V434 HydrophobicContact SD-CB 4.06Å; M382-V434 HydrophobicContact SD-CG1 4.33Å; M382-A461 HydrophobicContact CG-CB 3.86Å; M382-A461 WeakPolarHBondContact CG-O 3.31Å; M382-A461 PolarHBondContact N-O 3.17Å; M382-A461 HydrophobicContact SD-CB 4.22Å; M382-D462 WeakPolarHBondContact CA-O 3.44Å; M382-Y477 HydrophobicContact CE-CD1 3.72Å; M382-Y477 HydrophobicContact CE-CE1 4.17Å; M382-I479 HydrophobicContact CE-CD1 4.13Å; M382-I479 HydrophobicContact CE-CG1 4.45Å
383T96.5Very high97.2Very high17 Ų1722.1 Ų22.110%0.10411%0.109CC..THydrogen-bonded Turntrans-120.5-3.3177.266.90000114.8D357 S381 F409 A411 V434D357-T383 PolarHBondContact OD2-OG1 3.46Å; S381-T383 PolarHBondContact O-N 3.46Å; S381-T383 PolarHBondContact OG-N 3.15Å; S381-T383 PolarHBondContact OG-OG1 2.99Å; T383-F409 VanDerWaalsContact O-CZ 3.29Å; T383-F409 WeakPolarHBondContact O-CZ 3.34Å; T383-A411 VanDerWaalsContact O-CB 3.32Å; T383-A411 WeakPolarHBondContact O-CB 3.5Å; T383-V434 HydrophobicContact CG2-CG2 4.06Å
384T96.4Very high97.2Very high32 Ų3226 Ų2620%0.19613%0.126CC..EExtended strand (participates in β ladder)trans-127115.3-178.2-56.80000110.1Y379 S380 S381 F463Y379-T384 HydrophobicContact CD1-CG2 4.32Å; Y379-T384 HydrophobicContact CE1-CG2 3.88Å; S380-T384 PolarHBondContact OG-O 3.44Å; S381-T384 PolarHBondContact N-O 2.85Å; S381-T384 PolarHBondContact O-N 3.32Å; S381-T384 VanDerWaalsContact O-N 3.11Å; S381-T384 WeakPolarHBondContact OG-CB 3.31Å; S381-T384 PolarHBondContact OG-N 2.9Å; S381-T384 PolarHBondContact OG-OG1 3.41Å; T384-F463 WeakPolarHBondContact O-CB 3.16Å
385P96.4Very high97.1Very high10 Ų1025 Ų257%0.06513%0.134CC..EExtended strand (participates in β ladder)trans-55.1154.4174.3-24.533.1000113.1T387 T404 V406 F409 F463P385-T387 PolarHBondContact O-N 3.42Å; P385-T387 PolarHBondContact O-OG1 3.36Å; P385-T404 WeakPolarHBondContact CB-O 3.11Å; P385-V406 HydrophobicContact CB-CG2 4.1Å; P385-V406 HydrophobicContact CG-CG2 3.85Å; P385-F409 HydrophobicContact CG-CD1 4.08Å; P385-F409 HydrophobicContact CG-CE1 3.87Å; P385-F463 HydrophobicContact CB-CD1 4.05Å; P385-F463 HydrophobicContact CB-CE1 4.24Å; P385-F463 HydrophobicContact CB-CG 4.29Å; P385-F463 HydrophobicContact CG-CD1 4.15Å; P385-F463 HydrophobicContact CG-CD2 4.25Å; P385-F463 HydrophobicContact CG-CE1 3.96Å; P385-F463 HydrophobicContact CG-CE2 4.07Å; P385-F463 HydrophobicContact CG-CG 4.28Å; P385-F463 HydrophobicContact CG-CZ 3.91Å
386D96.3Very high96.9Very high65 Ų6527.4 Ų27.435%0.34816%0.158SC..EExtended strand (participates in β ladder)trans-50.5124.7-177.8-65.40.7000111.7S380 Q403 T404S380-D386 WeakPolarHBondContact CB-OD1 3.27Å; S380-D386 PolarHBondContact OG-OD1 3.25Å; D386-Q403 WeakPolarHBondContact O-CA 3.43Å; D386-T404 PolarHBondContact O-N 2.79Å; D386-T404 PolarHBondContact O-OG1 2.85Å
387T97.1Very high96.8Very high4 Ų431.7 Ų31.73%0.02518%0.18CC..EExtended strand (participates in β ladder)trans-126.6119-176.3-53.30000109.1G378 Y379 P385 F389 V400 K402 Q403G378-T387 WeakPolarHBondContact CA-O 3.48Å; Y379-T387 PolarHBondContact N-O 2.9Å; Y379-T387 PolarHBondContact O-N 3.49Å; P385-T387 PolarHBondContact O-N 3.42Å; P385-T387 PolarHBondContact O-OG1 3.36Å; T387-F389 HydrophobicContact CG2-CD2 3.93Å; T387-F389 HydrophobicContact CG2-CE1 4.14Å; T387-F389 HydrophobicContact CG2-CE2 3.42Å; T387-F389 VanDerWaalsContact CG2-CE2 3.42Å; T387-F389 HydrophobicContact CG2-CG 4.48Å; T387-F389 HydrophobicContact CG2-CZ 3.53Å; T387-V400 HydrophobicContact CG2-CG1 3.88Å; T387-V400 HydrophobicContact CG2-CG2 4.15Å; T387-K402 CarbonylContact C-O 3.59Å; T387-K402 WeakPolarHBondContact CA-O 3.45Å; T387-Q403 HydrophobicContact CG2-CB 4.26Å; T387-Q403 WeakPolarHBondContact OG1-CG 3.41Å; T387-Q403 PolarHBondContact OG1-NE2 3.48Å
388L97.9Very high96.7Very high41 Ų4137.8 Ų37.822%0.21520%0.203CC..EExtended strand (participates in β ladder)trans-89.6118.9171.2-176.669.3000108.9A76 A365 R376 L401 K402A76-L388 HydrophobicContact CB-CD2 3.55Å; A365-L388 HydrophobicContact CB-CD1 3.51Å; R376-L388 HydrophobicContact CB-CD1 4.42Å; L388-L401 HydrophobicContact CD2-CB 4.13Å; L388-L401 HydrophobicContact CD2-CD1 3.97Å; L388-L401 HydrophobicContact CG-CB 4.24Å; L388-L401 HydrophobicContact CG-CD1 4.21Å; L388-L401 PolarHBondContact O-N 3.18Å; L388-K402 PolarHBondContact N-O 3.2Å; L388-K402 PolarHBondContact O-N 3.17Å
389F97.5Very high96.6Very high26 Ų2643.3 Ų43.311%0.11422%0.224CC..EExtended strand (participates in β ladder)trans-102155.8174.5-70.9-82000111.3R376 Y377 Y379 T387 R398 R399 V400R376-F389 WeakPolarHBondContact CA-O 3.23Å; Y377-F389 HydrophobicContact CD1-CB 3.89Å; Y377-F389 HydrophobicContact CD2-CB 4.45Å; Y377-F389 HydrophobicContact CE1-CB 3.38Å; Y377-F389 HydrophobicContact CE1-CG 4.2Å; Y377-F389 HydrophobicContact CE2-CB 3.99Å; Y377-F389 AromaticContact CE2-CD2 3.8Å; Y377-F389 HydrophobicContact CE2-CD2 3.8Å; Y377-F389 HydrophobicContact CE2-CG 4.19Å; Y377-F389 HydrophobicContact CG-CB 4.41Å; Y377-F389 VanDerWaalsContact CZ-CB 3.45Å; Y377-F389 AromaticContact CZ-CD2 3.84Å; Y377-F389 AromaticContact CZ-CG 3.77Å; Y377-F389 PolarHBondContact N-O 2.85Å; Y377-F389 VanDerWaalsContact N-O 3.09Å; Y377-F389 PolarHBondContact O-N 2.79Å; Y379-F389 HydrophobicContact CD1-CE2 4.33Å; Y379-F389 HydrophobicContact CG-CE2 4.31Å; T387-F389 HydrophobicContact CG2-CD2 3.93Å; T387-F389 HydrophobicContact CG2-CE1 4.14Å; T387-F389 HydrophobicContact CG2-CE2 3.42Å; T387-F389 VanDerWaalsContact CG2-CE2 3.42Å; T387-F389 HydrophobicContact CG2-CG 4.48Å; T387-F389 HydrophobicContact CG2-CZ 3.53Å; F389-R398 HydrophobicContact CB-CG 4.38Å; F389-R398 HydrophobicContact CD1-CG 3.6Å; F389-R398 HydrophobicContact CE1-CG 4.21Å; F389-R398 HydrophobicContact CG-CG 4.26Å; F389-R399 CarbonylContact C-O 3.53Å; F389-R399 WeakPolarHBondContact CA-O 3.46Å; F389-V400 HydrophobicContact CD1-CG2 3.87Å; F389-V400 HydrophobicContact CE1-CB 4.47Å; F389-V400 HydrophobicContact CE1-CG2 3.36Å; F389-V400 HydrophobicContact CZ-CG2 4.08Å
390E97.8Very high96.6Very high12 Ų1246.3 Ų46.36%0.05624%0.244CC..EExtended strand (participates in β ladder)trans-118.2127.4159.7-165177.476.600108.6R374 L375 R376 R398 R399 L401R374-E390 HydrophobicContact CB-CG 3.86Å; R374-E390 WeakPolarHBondContact CD-OE1 3.33Å; R374-E390 HydrophobicContact CG-CG 4.38Å; R374-E390 IonicContact NE-OE1 3.93Å; R374-E390 IonicContact NH1-OE1 3.91Å; L375-E390 CarbonylContact O-C 3.56Å; L375-E390 VanDerWaalsContact O-CA 3.3Å; L375-E390 WeakPolarHBondContact O-CA 3.36Å; R376-E390 HydrophobicContact CG-CG 4.47Å; R376-E390 IonicContact NE-OE2 2.9Å; E390-R398 WeakPolarHBondContact O-CA 3.46Å; E390-R399 HydrophobicContact CB-CG 3.96Å; E390-R399 PolarHBondContact N-O 3.12Å; E390-R399 PolarHBondContact O-N 2.96Å; E390-R399 IonicContact OE1-CZ 3.35Å; E390-R399 IonicContact OE1-NE 2.73Å; E390-R399 PolarHBondContact OE1-NE 3.06Å; E390-R399 IonicContact OE1-NH2 3.79Å; E390-R399 PolarHBondContact OE1-NH2 2.91Å; E390-R399 IonicContact OE2-NH2 2.97Å; E390-L401 HydrophobicContact CB-CD1 3.88Å; E390-L401 HydrophobicContact CB-CD2 3.89Å; E390-L401 HydrophobicContact CB-CG 3.78Å
391L97.4Very high96.5Very high13 Ų1348.7 Ų48.77%0.06826%0.256CS..EExtended strand (participates in β ladder)trans-111.7122.1175.6174.364000108.6I353 R374 L375 Y377 M393 E397 R398I353-L391 HydrophobicContact CD1-CD2 3.59Å; I353-L391 HydrophobicContact CG1-CD2 4.02Å; R374-L391 CarbonylContact C-O 3.52Å; R374-L391 WeakPolarHBondContact CA-O 3.1Å; L375-L391 HydrophobicContact CB-CB 4.43Å; L375-L391 HydrophobicContact CD2-CD2 4.45Å; L375-L391 PolarHBondContact N-O 2.74Å; L375-L391 PolarHBondContact O-N 3.31Å; Y377-L391 HydrophobicContact CD1-CB 4.31Å; Y377-L391 HydrophobicContact CE1-CB 3.99Å; L391-M393 PolarHBondContact O-N 2.87Å; L391-E397 WeakPolarHBondContact CA-O 3.15Å; L391-R398 HydrophobicContact CD1-CB 4.32Å
392D97.5Very high96.4Very high38 Ų3851 Ų5120%0.20327%0.266CS..EExtended strand (participates in β ladder)trans-76.6107.8164.1-174.9-65.5000108.2D394 T395 G396 E397D392-D394 PolarHBondContact O-N 3.4Å; D392-D394 PolarHBondContact OD1-N 3.11Å; D392-T395 WeakPolarHBondContact CB-OG1 3.44Å; D392-T395 PolarHBondContact O-N 2.87Å; D392-T395 PolarHBondContact OD1-N 3.15Å; D392-T395 PolarHBondContact OD1-OG1 3.31Å; D392-G396 VanDerWaalsContact O-CA 3.31Å; D392-G396 WeakPolarHBondContact O-CA 3.23Å; D392-G396 PolarHBondContact O-N 2.97Å; D392-E397 HydrophobicContact CB-CB 4.35Å; D392-E397 PolarHBondContact N-O 2.89Å
393M97.1Very high96.4Very high2 Ų255.8 Ų55.81%0.0129%0.289CS..THydrogen-bonded Turntrans-70.4-20.4-172.3-67.1-178.7-75.900112.9F324 W327 V329 Q342 A373 L375 L391F324-M393 HydrophobicContact CB-CE 4.06Å; F324-M393 HydrophobicContact CD1-CE 3.88Å; F324-M393 HydrophobicContact CD2-CE 3.76Å; F324-M393 HydrophobicContact CD2-SD 4.44Å; F324-M393 HydrophobicContact CE1-CE 4.21Å; F324-M393 HydrophobicContact CE2-CE 4.11Å; F324-M393 HydrophobicContact CG-CE 3.64Å; F324-M393 HydrophobicContact CZ-CE 4.32Å; W327-M393 HydrophobicContact CB-CE 3.63Å; W327-M393 HydrophobicContact CB-SD 3.53Å; W327-M393 VanDerWaalsContact CB-SD 3.53Å; W327-M393 HydrophobicContact CD2-CB 3.75Å; W327-M393 HydrophobicContact CD2-SD 4.25Å; W327-M393 HydrophobicContact CE3-CB 4.41Å; W327-M393 HydrophobicContact CG-CB 3.84Å; W327-M393 HydrophobicContact CG-CE 3.84Å; W327-M393 HydrophobicContact CG-CG 4.42Å; W327-M393 HydrophobicContact CG-SD 3.72Å; W327-M393 WeakPolarHBondContact CH2-O 3.39Å; W327-M393 HydrophobicContact CZ2-CB 4.26Å; W327-M393 WeakPolarHBondContact CZ2-O 3.3Å; V329-M393 HydrophobicContact CG2-SD 3.5Å; V329-M393 VanDerWaalsContact CG2-SD 3.5Å; Q342-M393 HydrophobicContact CB-SD 4.27Å; Q342-M393 PolarHBondContact NE2-O 2.89Å; A373-M393 WeakPolarHBondContact O-CB 3.47Å; A373-M393 VanDerWaalsContact O-CE 3.24Å; A373-M393 WeakPolarHBondContact O-CE 3.37Å; A373-M393 WeakPolarHBondContact O-CG 3.17Å; A373-M393 PolarHBondContact O-N 3.41Å; L375-M393 HydrophobicContact CB-CE 4.19Å; L375-M393 HydrophobicContact CB-CG 4.02Å; L375-M393 HydrophobicContact CB-SD 3.91Å; L391-M393 PolarHBondContact O-N 2.87Å
394D95.9Very high96.2Very high101 Ų10156.9 Ų56.954%0.5430%0.295SS..THydrogen-bonded Turntrans-81.1-38.6178.8-67.4-28.1000111.8W327 A373 D392W327-D394 PolarHBondContact NE1-OD1 2.85Å; A373-D394 VanDerWaalsContact CB-OD2 3.25Å; A373-D394 WeakPolarHBondContact CB-OD2 3.46Å; D392-D394 PolarHBondContact O-N 3.4Å; D392-D394 PolarHBondContact OD1-N 3.11Å
395T95.4Very high96.1Very high98 Ų9861.7 Ų61.760%0.60132%0.316SS*.THydrogen-bonded Turntrans-100.5-20.8-175.861.70000113.9D392 E397D392-T395 WeakPolarHBondContact CB-OG1 3.44Å; D392-T395 PolarHBondContact O-N 2.87Å; D392-T395 PolarHBondContact OD1-N 3.15Å; D392-T395 PolarHBondContact OD1-OG1 3.31Å; T395-E397 VanDerWaalsContact C-N 3.25Å; T395-E397 PolarHBondContact OG1-N 3.27Å
396G94.1Very high96Very high49 Ų4962 Ų6251%0.50532%0.317SS..  trans77.64.7-170.600000114.2D392 R398D392-G396 VanDerWaalsContact O-CA 3.31Å; D392-G396 WeakPolarHBondContact O-CA 3.23Å; D392-G396 PolarHBondContact O-N 2.97Å; G396-R398 PolarHBondContact O-N 3.29Å
397E96Very high95.9Very high131 Ų13161.4 Ų61.461%0.61232%0.317SS*.  trans-66.1123178-171.7-174.9163.500110.5L391 D392 T395L391-E397 WeakPolarHBondContact CA-O 3.15Å; D392-E397 HydrophobicContact CB-CB 4.35Å; D392-E397 PolarHBondContact N-O 2.89Å; T395-E397 VanDerWaalsContact C-N 3.25Å; T395-E397 PolarHBondContact OG1-N 3.27Å
398R95.4Very high95.6Very high128 Ų12865.4 Ų65.448%0.48336%0.359SS..EExtended strand (participates in β ladder)trans-111.3129.4177.3179.7176.168.4-175.57.7110.5Y377 F389 E390 L391 G396Y377-R398 WeakPolarHBondContact OH-CD 3.25Å; F389-R398 HydrophobicContact CB-CG 4.38Å; F389-R398 HydrophobicContact CD1-CG 3.6Å; F389-R398 HydrophobicContact CE1-CG 4.21Å; F389-R398 HydrophobicContact CG-CG 4.26Å; E390-R398 WeakPolarHBondContact O-CA 3.46Å; L391-R398 HydrophobicContact CD1-CB 4.32Å; G396-R398 PolarHBondContact O-N 3.29Å
399R95.4Very high95.5Very high117 Ų11765.3 Ų65.344%0.44236%0.357SS..EExtended strand (participates in β ladder)trans-127.1148.8172.466-176.8-174.2153.56112.2F389 E390 L401F389-R399 CarbonylContact C-O 3.53Å; F389-R399 WeakPolarHBondContact CA-O 3.46Å; E390-R399 HydrophobicContact CB-CG 3.96Å; E390-R399 PolarHBondContact N-O 3.12Å; E390-R399 PolarHBondContact O-N 2.96Å; E390-R399 IonicContact OE1-CZ 3.35Å; E390-R399 IonicContact OE1-NE 2.73Å; E390-R399 PolarHBondContact OE1-NE 3.06Å; E390-R399 IonicContact OE1-NH2 3.79Å; E390-R399 PolarHBondContact OE1-NH2 2.91Å; E390-R399 IonicContact OE2-NH2 2.97Å; R399-L401 HydrophobicContact CG-CD2 4.44Å
400V96.8Very high95.5Very high84 Ų8468.1 Ų68.151%0.50937%0.373SS..EExtended strand (participates in β ladder)trans-80123.5170.5176.90000108.2T387 F389 Q403T387-V400 HydrophobicContact CG2-CG1 3.88Å; T387-V400 HydrophobicContact CG2-CG2 4.15Å; F389-V400 HydrophobicContact CD1-CG2 3.87Å; F389-V400 HydrophobicContact CE1-CB 4.47Å; F389-V400 HydrophobicContact CE1-CG2 3.36Å; F389-V400 HydrophobicContact CZ-CG2 4.08Å; V400-Q403 HydrophobicContact CG1-CB 4.42Å
401L96.1Very high95.3Very high49 Ų4969.5 Ų69.526%0.25739%0.386SS..EExtended strand (participates in β ladder)trans-86.2-40171.3-66.3-175.1000111.7A76 R376 L388 E390 R399A76-L401 HydrophobicContact CB-CB 4.21Å; R376-L401 HydrophobicContact CG-CD1 4.13Å; L388-L401 HydrophobicContact CD2-CB 4.13Å; L388-L401 HydrophobicContact CD2-CD1 3.97Å; L388-L401 HydrophobicContact CG-CB 4.24Å; L388-L401 HydrophobicContact CG-CD1 4.21Å; L388-L401 PolarHBondContact O-N 3.18Å; E390-L401 HydrophobicContact CB-CD1 3.88Å; E390-L401 HydrophobicContact CB-CD2 3.89Å; E390-L401 HydrophobicContact CB-CG 3.78Å; R399-L401 HydrophobicContact CG-CD2 4.44Å
402K95.6Very high95.3Very high50 Ų5072 Ų7222%0.21741%0.409CS..EExtended strand (participates in β ladder)trans-159.4139.5178.5177176.6162.984.30109E73 V74 A76 T387 L388E73-K402 VanDerWaalsContact CG-NZ 3.32Å; E73-K402 WeakPolarHBondContact OE1-CE 3.47Å; E73-K402 IonicContact OE1-NZ 3.09Å; E73-K402 PolarHBondContact OE1-NZ 2.89Å; V74-K402 WeakPolarHBondContact O-CE 3.38Å; V74-K402 PolarHBondContact O-NZ 3.18Å; A76-K402 HydrophobicContact CB-CB 4.05Å; A76-K402 HydrophobicContact CB-CD 4.5Å; T387-K402 CarbonylContact C-O 3.59Å; T387-K402 WeakPolarHBondContact CA-O 3.45Å; L388-K402 PolarHBondContact N-O 3.2Å; L388-K402 PolarHBondContact O-N 3.17Å
403Q95.1Very high95.3Very high105 Ų10573.2 Ų73.249%0.49142%0.415SS..EExtended strand (participates in β ladder)trans-120.3138.2163.3-178.8168.961.200107.5D386 T387 V400 E405D386-Q403 WeakPolarHBondContact O-CA 3.43Å; T387-Q403 HydrophobicContact CG2-CB 4.26Å; T387-Q403 WeakPolarHBondContact OG1-CG 3.41Å; T387-Q403 PolarHBondContact OG1-NE2 3.48Å; V400-Q403 HydrophobicContact CG1-CB 4.42Å; Q403-E405 PolarHBondContact O-N 3.48Å
404T93.5Very high95.3Very high40 Ų4073.5 Ų73.525%0.24542%0.416CS..  trans-62.7117.9174.9-62.30000109.2P385 D386 V406P385-T404 WeakPolarHBondContact CB-O 3.11Å; D386-T404 PolarHBondContact O-N 2.79Å; D386-T404 PolarHBondContact O-OG1 2.85Å; T404-V406 HydrophobicContact CG2-CG2 4.33Å
405E93.6Very high95.4Very high133 Ų13373.8 Ų73.862%0.62141%0.41SS*.  trans-74.4131.3175.1-176.6178.7-179.200109.4P70 Q403P70-E405 WeakPolarHBondContact CD-O 3.42Å; P70-E405 HydrophobicContact CG-CB 3.99Å; P70-E405 VanDerWaalsContact CG-O 3.25Å; P70-E405 WeakPolarHBondContact CG-O 3.4Å; Q403-E405 PolarHBondContact O-N 3.48Å
406V95.3Very high95.5Very high16 Ų1669.7 Ų69.710%0.09739%0.385CS..  trans-127.395.8178-172.80000108.1R68 P385 T404 G408 F409 F463 F465 L468R68-V406 HydrophobicContact CB-CG1 4.12Å; R68-V406 HydrophobicContact CG-CG1 4.28Å; P385-V406 HydrophobicContact CB-CG2 4.1Å; P385-V406 HydrophobicContact CG-CG2 3.85Å; T404-V406 HydrophobicContact CG2-CG2 4.33Å; V406-G408 PolarHBondContact O-N 3.44Å; V406-F409 HydrophobicContact CB-CB 3.77Å; V406-F409 HydrophobicContact CB-CG 4.34Å; V406-F409 HydrophobicContact CG1-CB 3.63Å; V406-F409 HydrophobicContact CG1-CG 4.29Å; V406-F409 VanDerWaalsContact O-CB 3.29Å; V406-F409 WeakPolarHBondContact O-CB 3.3Å; V406-F409 PolarHBondContact O-N 3.03Å; V406-F409 VanDerWaalsContact O-N 3.13Å; V406-F463 HydrophobicContact CG2-CE1 3.83Å; V406-F463 HydrophobicContact CG2-CZ 4.27Å; V406-F465 HydrophobicContact CG1-CB 4.22Å; V406-L468 HydrophobicContact CG1-CD1 4.11Å
407P93.1Very high95.6Very high53 Ų5368.7 Ų68.734%0.34437%0.367SS..THydrogen-bonded Turntrans-52.5131.6-179.6-29.836000113.1R68 F409R68-P407 WeakPolarHBondContact O-CD 3.33Å; P407-F409 PolarHBondContact O-N 2.8Å
408G91.4Very high95.6Very high88 Ų8864.2 Ų64.291%0.90735%0.346SS*.THydrogen-bonded Turntrans75.91.1178.700000115.6V406V406-G408 PolarHBondContact O-N 3.44Å
409F95.8Very high95.6Very high39 Ų3959.6 Ų59.617%0.17133%0.331CS..  trans-85.2137.4175.5175.6-102.8000111.8T383 P385 V406 P407 A411 Y414 F463 L468T383-F409 VanDerWaalsContact O-CZ 3.29Å; T383-F409 WeakPolarHBondContact O-CZ 3.34Å; P385-F409 HydrophobicContact CG-CD1 4.08Å; P385-F409 HydrophobicContact CG-CE1 3.87Å; V406-F409 HydrophobicContact CB-CB 3.77Å; V406-F409 HydrophobicContact CB-CG 4.34Å; V406-F409 HydrophobicContact CG1-CB 3.63Å; V406-F409 HydrophobicContact CG1-CG 4.29Å; V406-F409 VanDerWaalsContact O-CB 3.29Å; V406-F409 WeakPolarHBondContact O-CB 3.3Å; V406-F409 PolarHBondContact O-N 3.03Å; V406-F409 VanDerWaalsContact O-N 3.13Å; P407-F409 PolarHBondContact O-N 2.8Å; F409-A411 HydrophobicContact CE1-CB 3.92Å; F409-A411 HydrophobicContact CZ-CB 4Å; F409-Y414 HydrophobicContact CD2-CD2 4.13Å; F409-Y414 AromaticContact CD2-CE2 3.48Å; F409-Y414 HydrophobicContact CD2-CE2 3.48Å; F409-Y414 VanDerWaalsContact CD2-CE2 3.48Å; F409-Y414 AromaticContact CE2-CD2 3.38Å; F409-Y414 HydrophobicContact CE2-CD2 3.38Å; F409-Y414 AromaticContact CE2-CE2 3.21Å; F409-Y414 HydrophobicContact CE2-CE2 3.21Å; F409-Y414 HydrophobicContact CE2-CG 4.4Å; F409-Y414 HydrophobicContact CZ-CD2 4.05Å; F409-Y414 HydrophobicContact CZ-CE2 4.24Å; F409-F463 HydrophobicContact CD1-CZ 4.46Å; F409-F463 HydrophobicContact CD2-CE2 4.22Å; F409-F463 HydrophobicContact CD2-CZ 4.04Å; F409-F463 HydrophobicContact CE1-CE2 4.05Å; F409-F463 HydrophobicContact CE1-CZ 4.31Å; F409-F463 AromaticContact CE2-CE2 3.55Å; F409-F463 HydrophobicContact CE2-CE2 3.55Å; F409-F463 AromaticContact CE2-CZ 3.86Å; F409-F463 HydrophobicContact CE2-CZ 3.86Å; F409-F463 HydrophobicContact CG-CZ 4.33Å; F409-F463 HydrophobicContact CZ-CD2 4.46Å; F409-F463 AromaticContact CZ-CE2 3.46Å; F409-F463 HydrophobicContact CZ-CE2 3.46Å; F409-F463 VanDerWaalsContact CZ-CE2 3.46Å; F409-F463 HydrophobicContact CZ-CZ 4.01Å; F409-L468 HydrophobicContact CB-CD1 4.35Å; F409-L468 HydrophobicContact CD2-CD1 3.61Å; F409-L468 HydrophobicContact CD2-CD2 3.86Å; F409-L468 HydrophobicContact CD2-CG 4.41Å; F409-L468 HydrophobicContact CE2-CD1 4.35Å; F409-L468 HydrophobicContact CE2-CD2 3.83Å; F409-L468 HydrophobicContact CG-CD1 4.32Å
410D96.5Very high95.7Very high85 Ų8557.5 Ų57.546%0.45532%0.323SS..  trans-134.9115.7168.3174.42000108.3A412 N413 Y414D410-A412 PolarHBondContact O-N 2.75Å; D410-A412 VanDerWaalsContact O-N 3.13Å; D410-A412 VanDerWaalsContact OD1-CB 3.3Å; D410-A412 WeakPolarHBondContact OD1-CB 3.34Å; D410-A412 PolarHBondContact OD1-N 3.2Å; D410-N413 WeakPolarHBondContact O-CB 3.19Å; D410-N413 PolarHBondContact O-N 3.38Å; D410-Y414 WeakPolarHBondContact O-CD2 3.23Å; D410-Y414 WeakPolarHBondContact O-CE2 3.35Å
411A95.4Very high95.8Very high40 Ų4054 Ų5433%0.33130%0.301SS..G310 helixtrans-55.4-30.8-178.700000112.5T383 F409 N413 Y414T383-A411 VanDerWaalsContact O-CB 3.32Å; T383-A411 WeakPolarHBondContact O-CB 3.5Å; F409-A411 HydrophobicContact CE1-CB 3.92Å; F409-A411 HydrophobicContact CZ-CB 4Å; A411-N413 PolarHBondContact O-N 3.19Å; A411-N413 VanDerWaalsContact O-N 3.14Å; A411-Y414 PolarHBondContact O-N 2.85Å
412A96.5Very high95.9Very high65 Ų6556 Ų5654%0.53732%0.316SS..G310 helixtrans-63.8-20.5-18000000113.2D410 Y414 R437D410-A412 PolarHBondContact O-N 2.75Å; D410-A412 VanDerWaalsContact O-N 3.13Å; D410-A412 VanDerWaalsContact OD1-CB 3.3Å; D410-A412 WeakPolarHBondContact OD1-CB 3.34Å; D410-A412 PolarHBondContact OD1-N 3.2Å; A412-Y414 VanDerWaalsContact C-N 3.26Å; A412-Y414 PolarHBondContact O-N 3.18Å; A412-R437 VanDerWaalsContact O-CD 3.25Å; A412-R437 WeakPolarHBondContact O-CD 3.5Å; A412-R437 PolarHBondContact O-NE 3.02Å
413N97.8Very high96Very high64 Ų6453.9 Ų53.934%0.34231%0.307SS..G310 helixtrans-73.8-17.1176.2-72.1-37.2000113.4D410 A411 H436 R437D410-N413 WeakPolarHBondContact O-CB 3.19Å; D410-N413 PolarHBondContact O-N 3.38Å; A411-N413 PolarHBondContact O-N 3.19Å; A411-N413 VanDerWaalsContact O-N 3.14Å; N413-H436 CarbonylContact O-C 3.43Å; N413-R437 WeakPolarHBondContact O-CB 3.33Å; N413-R437 WeakPolarHBondContact O-CG 3.32Å; N413-R437 PolarHBondContact O-N 2.85Å
414Y97.7Very high96.2Very high9 Ų955.5 Ų55.54%0.03531%0.309CS..EExtended strand (participates in β ladder)trans-113.7159.9-173.4-51.2-83.6000111.3F409 D410 A411 A412 Y435 H436 R437 L468 L471 D472F409-Y414 HydrophobicContact CD2-CD2 4.13Å; F409-Y414 AromaticContact CD2-CE2 3.48Å; F409-Y414 HydrophobicContact CD2-CE2 3.48Å; F409-Y414 VanDerWaalsContact CD2-CE2 3.48Å; F409-Y414 AromaticContact CE2-CD2 3.38Å; F409-Y414 HydrophobicContact CE2-CD2 3.38Å; F409-Y414 AromaticContact CE2-CE2 3.21Å; F409-Y414 HydrophobicContact CE2-CE2 3.21Å; F409-Y414 HydrophobicContact CE2-CG 4.4Å; F409-Y414 HydrophobicContact CZ-CD2 4.05Å; F409-Y414 HydrophobicContact CZ-CE2 4.24Å; D410-Y414 WeakPolarHBondContact O-CD2 3.23Å; D410-Y414 WeakPolarHBondContact O-CE2 3.35Å; A411-Y414 PolarHBondContact O-N 2.85Å; A412-Y414 VanDerWaalsContact C-N 3.26Å; A412-Y414 PolarHBondContact O-N 3.18Å; Y414-Y435 WeakPolarHBondContact CA-O 3.29Å; Y414-H436 HydrophobicContact CD1-CB 4.17Å; Y414-H436 HydrophobicContact CE1-CB 4.17Å; Y414-H436 AromaticContact CE1-CD2 3.62Å; Y414-R437 PolarHBondContact O-NE 3.45Å; Y414-R437 PolarHBondContact O-NH2 3.21Å; Y414-L468 HydrophobicContact CE1-CD2 3.94Å; Y414-L468 HydrophobicContact CE2-CD2 4.14Å; Y414-L471 HydrophobicContact CD1-CB 4.15Å; Y414-L471 HydrophobicContact CD1-CD1 3.8Å; Y414-L471 HydrophobicContact CE1-CB 3.84Å; Y414-L471 HydrophobicContact CE1-CD1 4.04Å; Y414-D472 WeakPolarHBondContact CE1-OD1 3.3Å; Y414-D472 PolarHBondContact OH-OD1 3.16Å
415R97.3Very high96.4Very high107 Ų10757.4 Ų57.440%0.40432%0.318SS..EExtended strand (participates in β ladder)trans-140.5127.3173.9179.1163.8174.3-149.14.8109E417 V434 Y435 R437R415-E417 HydrophobicContact CG-CG 4.48Å; R415-E417 IonicContact CZ-OE1 2.64Å; R415-E417 IonicContact NE-OE1 2.76Å; R415-E417 PolarHBondContact NE-OE1 2.76Å; R415-E417 IonicContact NH1-OE1 3.1Å; R415-E417 PolarHBondContact NH1-OE1 3.11Å; R415-E417 IonicContact NH2-OE1 3.8Å; R415-V434 WeakPolarHBondContact O-CA 3.38Å; R415-Y435 HydrophobicContact CB-CD2 4.47Å; R415-Y435 HydrophobicContact CB-CE1 4.44Å; R415-Y435 HydrophobicContact CB-CE2 3.96Å; R415-Y435 VanDerWaalsContact CD-OH 3.23Å; R415-Y435 WeakPolarHBondContact CD-OH 3.43Å; R415-Y435 HydrophobicContact CG-CE1 4.41Å; R415-Y435 HydrophobicContact CG-CE2 4.44Å; R415-Y435 PolarHBondContact N-O 3.22Å; R415-Y435 PolarHBondContact NH1-OH 2.88Å; R415-Y435 PolarHBondContact O-N 2.72Å; R415-Y435 VanDerWaalsContact O-N 3.09Å; R415-R437 HydrophobicContact CB-CG 4.04Å
416S97.2Very high96.6Very high11 Ų1153.5 Ų53.58%0.07731%0.313CS..EExtended strand (participates in β ladder)trans-97.1150.8167.852.70000111D357 L433D357-S416 PolarHBondContact OD1-OG 3.36Å; S416-L433 CarbonylContact C-O 3.56Å; S416-L433 WeakPolarHBondContact CA-O 3.45Å
417E96.9Very high96.8Very high29 Ų2955 Ų5514%0.13632%0.322CS..EExtended strand (participates in β ladder)trans-138.9146.6170.7-62.7178.7-15400109.2R415 L419 L433 Y435 Y520R415-E417 HydrophobicContact CG-CG 4.48Å; R415-E417 IonicContact CZ-OE1 2.64Å; R415-E417 IonicContact NE-OE1 2.76Å; R415-E417 PolarHBondContact NE-OE1 2.76Å; R415-E417 IonicContact NH1-OE1 3.1Å; R415-E417 PolarHBondContact NH1-OE1 3.11Å; R415-E417 IonicContact NH2-OE1 3.8Å; E417-L419 HydrophobicContact CB-CD2 4.43Å; E417-L433 HydrophobicContact CB-CD1 3.92Å; E417-L433 HydrophobicContact CB-CG 4.12Å; E417-L433 HydrophobicContact CG-CD1 4.31Å; E417-L433 PolarHBondContact N-O 2.9Å; E417-L433 PolarHBondContact O-N 2.91Å; E417-Y435 HydrophobicContact CG-CE1 4.49Å; E417-Y435 WeakPolarHBondContact OE1-CE1 3.17Å; E417-Y435 PolarHBondContact OE1-OH 2.48Å; E417-Y520 PolarHBondContact OE2-OH 2.84Å
418H95.2Very high97Very high36 Ų3657.6 Ų57.617%0.16733%0.329CS..EExtended strand (participates in β ladder)trans-117.4113.9172.6-17178.6000108.7P358 A359 W420 V431 S432P358-H418 HydrophobicContact CB-CB 4.28Å; P358-H418 WeakPolarHBondContact O-CB 3.31Å; A359-H418 HydrophobicContact CB-CB 4.27Å; H418-W420 AromaticContact CD2-NE1 3.82Å; H418-W420 AromaticContact NE2-NE1 3.91Å; H418-V431 CarbonylContact C-O 3.43Å; H418-V431 WeakPolarHBondContact CA-O 3.42Å; H418-S432 PolarHBondContact ND1-OG 3.29Å; H418-S432 VanDerWaalsContact ND1-OG 3.12Å
419L96.5Very high97.3Very high32 Ų3253.5 Ų53.517%0.16829%0.287CS..EExtended strand (participates in β ladder)trans-110.4156.6-173.3-55.4179.7000110.7E417 P430 V431 L433 L515 L518 Y520E417-L419 HydrophobicContact CB-CD2 4.43Å; L419-P430 CarbonylContact O-C 3.59Å; L419-P430 WeakPolarHBondContact O-CA 3.34Å; L419-V431 HydrophobicContact CB-CB 4.42Å; L419-V431 PolarHBondContact N-O 3.16Å; L419-V431 PolarHBondContact O-N 2.78Å; L419-L433 HydrophobicContact CD1-CD2 3.57Å; L419-L433 HydrophobicContact CG-CD2 4.26Å; L419-L515 HydrophobicContact CD1-CD2 4.09Å; L419-L518 HydrophobicContact CD1-CD1 4.4Å; L419-Y520 HydrophobicContact CD1-CD2 4.36Å; L419-Y520 HydrophobicContact CD1-CE2 3.55Å
420W97.5Very high97.4Very high73 Ų7351.6 Ų51.628%0.27728%0.278SS..EExtended strand (participates in β ladder)trans-117.1123.2169.5-68.383.3000108.5R335 H418 E428 P430 L488R335-W420 HydrophobicContact CB-CH2 4.24Å; R335-W420 HydrophobicContact CB-CZ2 3.92Å; R335-W420 HydrophobicContact CG-CZ2 4.4Å; H418-W420 AromaticContact CD2-NE1 3.82Å; H418-W420 AromaticContact NE2-NE1 3.91Å; W420-E428 HydrophobicContact CE3-CB 3.65Å; W420-E428 HydrophobicContact CZ3-CB 4.3Å; W420-P430 HydrophobicContact CE3-CB 4.33Å; W420-P430 HydrophobicContact CH2-CB 4.34Å; W420-P430 HydrophobicContact CH2-CG 4.28Å; W420-P430 HydrophobicContact CZ2-CB 4.48Å; W420-P430 HydrophobicContact CZ3-CB 4.25Å; W420-P430 HydrophobicContact CZ3-CG 4.09Å; W420-L488 HydrophobicContact CH2-CD1 4.32Å; W420-L488 HydrophobicContact CH2-CD2 3.72Å; W420-L488 HydrophobicContact CZ3-CD1 3.99Å; W420-L488 HydrophobicContact CZ3-CD2 4.23Å
421I98Very high97.5Very high10 Ų1047.6 Ų47.65%0.05126%0.257CS..EExtended strand (participates in β ladder)trans-115.4124.8-177.9-60.1-179.5000108.8A423 E428 V429 V431 A511 A514 L515I421-A423 PolarHBondContact O-N 3.07Å; I421-E428 CarbonylContact O-C 3.52Å; I421-E428 WeakPolarHBondContact O-CA 3.43Å; I421-V429 PolarHBondContact N-O 3.2Å; I421-V429 PolarHBondContact O-N 3.02Å; I421-V431 HydrophobicContact CD1-CB 4.28Å; I421-V431 HydrophobicContact CD1-CG2 3.5Å; I421-V431 VanDerWaalsContact CD1-CG2 3.5Å; I421-V431 HydrophobicContact CG1-CG2 4.1Å; I421-A511 HydrophobicContact CD1-CB 4Å; I421-A514 HydrophobicContact CB-CB 4.48Å; I421-A514 HydrophobicContact CD1-CB 3.93Å; I421-A514 HydrophobicContact CG1-CB 4.31Å; I421-A514 HydrophobicContact CG2-CB 3.41Å; I421-A514 VanDerWaalsContact CG2-CB 3.41Å; I421-L515 HydrophobicContact CD1-CD2 4.41Å; I421-L515 HydrophobicContact CD1-CG 4.14Å
422V98.3Very high97.6Very high92 Ų9245.7 Ų45.756%0.55824%0.241SC*.EExtended strand (participates in β ladder)trans-75.9115.4176.1-175.60000109.4E428V422-E428 HydrophobicContact CG2-CG 4.36Å
423A98.2Very high97.7Very high5 Ų542.6 Ų42.64%0.04122%0.216CC..  trans-72169.4173.600000111.7I421 D425 G426 V427 V429I421-A423 PolarHBondContact O-N 3.07Å; A423-D425 PolarHBondContact O-N 2.88Å; A423-G426 PolarHBondContact O-N 2.89Å; A423-V427 PolarHBondContact N-O 2.77Å; A423-V429 HydrophobicContact CB-CG2 3.96Å
424R98.2Very high97.7Very high138 Ų13839.6 Ų39.652%0.52120%0.2SC..THydrogen-bonded Turntrans-58.8-21.2-176.466.7-17465.1176.70.6115.3N506 D510R424-N506 PolarHBondContact NH1-OD1 3.46Å; R424-D510 VanDerWaalsContact CB-OD2 3.26Å; R424-D510 WeakPolarHBondContact CB-OD2 3.47Å; R424-D510 VanDerWaalsContact CG-OD2 3.28Å; R424-D510 WeakPolarHBondContact CG-OD2 3.27Å; R424-D510 IonicContact CZ-OD1 2.93Å; R424-D510 VanDerWaalsContact CZ-OD1 3.3Å; R424-D510 IonicContact CZ-OD2 3.76Å; R424-D510 PolarHBondContact N-OD2 3.22Å; R424-D510 IonicContact NE-OD1 3.93Å; R424-D510 PolarHBondContact NE-OD1 2.8Å; R424-D510 IonicContact NE-OD2 3.99Å; R424-D510 PolarHBondContact NE-OD2 2.93Å; R424-D510 IonicContact NH2-OD1 3.53Å; R424-D510 PolarHBondContact NH2-OD1 3.39Å; R424-D510 IonicContact NH2-OD2 2.8Å
425D98.2Very high97.7Very high81 Ų8139.6 Ų39.643%0.43320%0.2SC..THydrogen-bonded Turntrans-99.67.1176.566.9-17.2000113.5A423 V427 R483A423-D425 PolarHBondContact O-N 2.88Å; D425-V427 PolarHBondContact OD1-N 2.61Å; D425-R483 VanDerWaalsContact CG-NH2 3.32Å; D425-R483 IonicContact OD1-CZ 2.71Å; D425-R483 IonicContact OD1-NH1 2.69Å; D425-R483 IonicContact OD1-NH2 3.31Å; D425-R483 PolarHBondContact OD1-NH2 3.01Å; D425-R483 IonicContact OD2-CZ 2.77Å; D425-R483 VanDerWaalsContact OD2-CZ 3.28Å; D425-R483 IonicContact OD2-NH1 3.05Å; D425-R483 PolarHBondContact OD2-NH1 2.73Å; D425-R483 IonicContact OD2-NH2 2.98Å; D425-R483 PolarHBondContact OD2-NH2 2.63Å
426G98.3Very high97.8Very high50 Ų5035.3 Ų35.352%0.51518%0.184SC..SBendtrans89.9-4175.500000115A423A423-G426 PolarHBondContact O-N 2.89Å
427V98Very high97.8Very high47 Ų4741.4 Ų41.429%0.28521%0.205SC..  trans-72.3136.71771760000110.3A423 D425 W492A423-V427 PolarHBondContact N-O 2.77Å; D425-V427 PolarHBondContact OD1-N 2.61Å; V427-W492 HydrophobicContact CG1-CH2 3.49Å; V427-W492 VanDerWaalsContact CG1-CH2 3.49Å; V427-W492 HydrophobicContact CG1-CZ3 3.34Å
428E97.7Very high97.9Very high108 Ų10848.3 Ų48.351%0.50524%0.235SC..EExtended strand (participates in β ladder)trans-84.4115.5174.7-56.1-172111.500110.8W420 I421 V422W420-E428 HydrophobicContact CE3-CB 3.65Å; W420-E428 HydrophobicContact CZ3-CB 4.3Å; I421-E428 CarbonylContact O-C 3.52Å; I421-E428 WeakPolarHBondContact O-CA 3.43Å; V422-E428 HydrophobicContact CG2-CG 4.36Å
429V98.3Very high98Very high2 Ų250 Ų501%0.01224%0.243CC..EExtended strand (participates in β ladder)trans-96.1122.9177.6-179.80000109.1I421 A423 V480 W492 D507I421-V429 PolarHBondContact N-O 3.2Å; I421-V429 PolarHBondContact O-N 3.02Å; A423-V429 HydrophobicContact CB-CG2 3.96Å; V429-V480 HydrophobicContact CG1-CG1 3.83Å; V429-W492 HydrophobicContact CG1-CZ2 4.43Å; V429-W492 HydrophobicContact CG2-CH2 4.1Å; V429-W492 HydrophobicContact CG2-CZ2 4.25Å; V429-D507 HydrophobicContact CG1-CB 4.35Å; V429-D507 HydrophobicContact CG2-CB 3.89Å
430P98Very high98.1Very high0 Ų051 Ų510%025%0.246CC..EExtended strand (participates in β ladder)trans-73.4147.8176.616.9-11.6000111.5L419 W420 H481 L488L419-P430 CarbonylContact O-C 3.59Å; L419-P430 WeakPolarHBondContact O-CA 3.34Å; W420-P430 HydrophobicContact CE3-CB 4.33Å; W420-P430 HydrophobicContact CH2-CB 4.34Å; W420-P430 HydrophobicContact CH2-CG 4.28Å; W420-P430 HydrophobicContact CZ2-CB 4.48Å; W420-P430 HydrophobicContact CZ3-CB 4.25Å; W420-P430 HydrophobicContact CZ3-CG 4.09Å; P430-H481 HydrophobicContact CB-CB 4.28Å; P430-H481 HydrophobicContact CG-CB 3.8Å; P430-H481 WeakPolarHBondContact O-CB 3.36Å; P430-H481 PolarHBondContact O-CD2 3.23Å; P430-H481 VanDerWaalsContact O-CD2 3.29Å; P430-H481 PolarHBondContact O-N 3.14Å; P430-L488 HydrophobicContact CG-CD1 4.31Å; P430-L488 HydrophobicContact CG-CD2 4.29Å; P430-L488 HydrophobicContact CG-CG 4.31Å
431V98.2Very high98.1Very high0 Ų056.2 Ų56.20%027%0.266CS..EExtended strand (participates in β ladder)trans-136.9126.4173.9177.30000109.8H418 L419 I421 A478 I479 V480 A511 L515H418-V431 CarbonylContact C-O 3.43Å; H418-V431 WeakPolarHBondContact CA-O 3.42Å; L419-V431 HydrophobicContact CB-CB 4.42Å; L419-V431 PolarHBondContact N-O 3.16Å; L419-V431 PolarHBondContact O-N 2.78Å; I421-V431 HydrophobicContact CD1-CB 4.28Å; I421-V431 HydrophobicContact CD1-CG2 3.5Å; I421-V431 VanDerWaalsContact CD1-CG2 3.5Å; I421-V431 HydrophobicContact CG1-CG2 4.1Å; V431-A478 HydrophobicContact CG1-CB 4.21Å; V431-I479 WeakPolarHBondContact CA-O 3.49Å; V431-I479 WeakPolarHBondContact CG1-O 3.44Å; V431-V480 HydrophobicContact CG2-CB 4.47Å; V431-V480 HydrophobicContact CG2-CG1 4.14Å; V431-V480 HydrophobicContact CG2-CG2 4.24Å; V431-A511 HydrophobicContact CG2-CB 4.23Å; V431-L515 HydrophobicContact CG1-CD1 4.21Å; V431-L515 HydrophobicContact CG1-CD2 4.22Å
432S98Very high98Very high1 Ų162.8 Ų62.81%0.00729%0.294CS..EExtended strand (participates in β ladder)trans-102.7129.2171-59.70000109.6H418 A478 I479 H481H418-S432 PolarHBondContact ND1-OG 3.29Å; H418-S432 VanDerWaalsContact ND1-OG 3.12Å; S432-A478 CarbonylContact O-C 3.56Å; S432-A478 WeakPolarHBondContact O-CA 3.35Å; S432-I479 PolarHBondContact N-O 2.84Å; S432-I479 VanDerWaalsContact N-O 3.08Å; S432-I479 PolarHBondContact O-N 3.12Å; S432-H481 WeakPolarHBondContact CB-NE2 3.36Å; S432-H481 PolarHBondContact N-NE2 3.21Å; S432-H481 PolarHBondContact OG-NE2 2.86Å
433L97.9Very high98Very high0 Ų059.7 Ų59.70%028%0.28CS..EExtended strand (participates in β ladder)trans-134.7156.1-18066.784.3000112.4S416 E417 L419 Y435 V476 Y477 A478 L515 Y520S416-L433 CarbonylContact C-O 3.56Å; S416-L433 WeakPolarHBondContact CA-O 3.45Å; E417-L433 HydrophobicContact CB-CD1 3.92Å; E417-L433 HydrophobicContact CB-CG 4.12Å; E417-L433 HydrophobicContact CG-CD1 4.31Å; E417-L433 PolarHBondContact N-O 2.9Å; E417-L433 PolarHBondContact O-N 2.91Å; L419-L433 HydrophobicContact CD1-CD2 3.57Å; L419-L433 HydrophobicContact CG-CD2 4.26Å; L433-Y435 HydrophobicContact CD1-CD1 3.62Å; L433-Y435 HydrophobicContact CD1-CE1 3.68Å; L433-V476 HydrophobicContact CD1-CG1 4.47Å; L433-Y477 CarbonylContact C-O 3.54Å; L433-Y477 WeakPolarHBondContact CA-O 3.49Å; L433-Y477 WeakPolarHBondContact CB-O 3.2Å; L433-A478 HydrophobicContact CB-CB 3.98Å; L433-L515 HydrophobicContact CD2-CD2 3.91Å; L433-Y520 HydrophobicContact CD1-CD1 4.08Å; L433-Y520 HydrophobicContact CD1-CE1 3.85Å; L433-Y520 HydrophobicContact CD2-CD1 3.74Å; L433-Y520 HydrophobicContact CD2-CD2 4.2Å; L433-Y520 HydrophobicContact CD2-CE1 3.65Å; L433-Y520 HydrophobicContact CD2-CE2 4.12Å; L433-Y520 HydrophobicContact CD2-CG 4.03Å; L433-Y520 HydrophobicContact CG-CE1 4.44Å
434V98.4Very high98Very high0 Ų066 Ų660%031%0.309CS..EExtended strand (participates in β ladder)trans-141.4144.7176.568.50000111.4M382 T383 R415 L471 Y477M382-V434 HydrophobicContact CB-CB 3.82Å; M382-V434 HydrophobicContact CB-CG1 4.2Å; M382-V434 HydrophobicContact CB-CG2 4.1Å; M382-V434 HydrophobicContact CE-CB 3.89Å; M382-V434 HydrophobicContact CE-CG1 3.49Å; M382-V434 VanDerWaalsContact CE-CG1 3.49Å; M382-V434 HydrophobicContact SD-CB 4.06Å; M382-V434 HydrophobicContact SD-CG1 4.33Å; T383-V434 HydrophobicContact CG2-CG2 4.06Å; R415-V434 WeakPolarHBondContact O-CA 3.38Å; V434-L471 HydrophobicContact CG1-CD1 3.86Å; V434-L471 HydrophobicContact CG1-CD2 4.02Å; V434-L471 HydrophobicContact CG2-CD1 4.08Å; V434-Y477 HydrophobicContact CG1-CD1 4.5Å; V434-Y477 PolarHBondContact N-O 3.23Å; V434-Y477 PolarHBondContact O-N 3.26Å
435Y98.6Very high98Very high10 Ų1059.9 Ų59.94%0.03929%0.286CS..EExtended strand (participates in β ladder)trans-150.7158.6176.657.1-92.9000112.2Y414 R415 E417 L433 F440 Y520Y414-Y435 WeakPolarHBondContact CA-O 3.29Å; R415-Y435 HydrophobicContact CB-CD2 4.47Å; R415-Y435 HydrophobicContact CB-CE1 4.44Å; R415-Y435 HydrophobicContact CB-CE2 3.96Å; R415-Y435 VanDerWaalsContact CD-OH 3.23Å; R415-Y435 WeakPolarHBondContact CD-OH 3.43Å; R415-Y435 HydrophobicContact CG-CE1 4.41Å; R415-Y435 HydrophobicContact CG-CE2 4.44Å; R415-Y435 PolarHBondContact N-O 3.22Å; R415-Y435 PolarHBondContact NH1-OH 2.88Å; R415-Y435 PolarHBondContact O-N 2.72Å; R415-Y435 VanDerWaalsContact O-N 3.09Å; E417-Y435 HydrophobicContact CG-CE1 4.49Å; E417-Y435 WeakPolarHBondContact OE1-CE1 3.17Å; E417-Y435 PolarHBondContact OE1-OH 2.48Å; L433-Y435 HydrophobicContact CD1-CD1 3.62Å; L433-Y435 HydrophobicContact CD1-CE1 3.68Å; Y435-F440 HydrophobicContact CD1-CD2 4.42Å; Y435-F440 HydrophobicContact CD2-CB 3.51Å; Y435-F440 HydrophobicContact CD2-CD1 4.39Å; Y435-F440 AromaticContact CD2-CD2 3.9Å; Y435-F440 HydrophobicContact CD2-CD2 3.9Å; Y435-F440 AromaticContact CD2-CG 3.67Å; Y435-F440 HydrophobicContact CD2-CG 3.67Å; Y435-F440 HydrophobicContact CE2-CB 3.86Å; Y435-F440 HydrophobicContact CE2-CD1 4.01Å; Y435-F440 HydrophobicContact CE2-CD2 4.24Å; Y435-F440 AromaticContact CE2-CG 3.76Å; Y435-F440 HydrophobicContact CE2-CG 3.76Å; Y435-F440 HydrophobicContact CG-CB 4.32Å; Y435-F440 AromaticContact CG-CD2 3.97Å; Y435-F440 HydrophobicContact CG-CD2 3.97Å; Y435-F440 HydrophobicContact CG-CG 4.23Å; Y435-Y520 HydrophobicContact CE1-CE1 4.4Å
436H98.4Very high98Very high17 Ų1757.1 Ų57.18%0.07927%0.273CS..EExtended strand (participates in β ladder)trans-80.6121.4173-171.3-61.4000110.5N413 Y414 K438 H439 F440 L471 D472N413-H436 CarbonylContact O-C 3.43Å; Y414-H436 HydrophobicContact CD1-CB 4.17Å; Y414-H436 HydrophobicContact CE1-CB 4.17Å; Y414-H436 AromaticContact CE1-CD2 3.62Å; H436-K438 VanDerWaalsContact C-N 3.34Å; H436-K438 VanDerWaalsContact CE1-CB 3.48Å; H436-K438 WeakPolarHBondContact CE1-CB 3.19Å; H436-K438 PolarHBondContact ND1-N 2.58Å; H436-K438 PolarHBondContact O-N 3.47Å; H436-H439 HydrophobicContact CB-CB 4.34Å; H436-H439 AromaticContact CD2-CD2 3.98Å; H436-H439 AromaticContact CE1-CD2 3.89Å; H436-H439 AromaticContact CG-CD2 3.55Å; H436-H439 AromaticContact ND1-CD2 3.46Å; H436-H439 PolarHBondContact ND1-CD2 3Å; H436-H439 PolarHBondContact O-N 2.66Å; H436-F440 PolarHBondContact O-N 3.24Å; H436-L471 HydrophobicContact CB-CB 4.4Å; H436-L471 VanDerWaalsContact CB-O 3.23Å; H436-L471 WeakPolarHBondContact CB-O 3.32Å; H436-D472 IonicContact CD2-OD1 3.48Å; H436-D472 PolarHBondContact CD2-OD1 3.03Å
437R98.1Very high98.1Very high138 Ų13854.8 Ų54.852%0.52125%0.248SC..THydrogen-bonded Turntrans-54.5-44.8-172.8-67.6-179.6-176.8-105.6-2.2113.3A412 N413 Y414 R415 H439A412-R437 VanDerWaalsContact O-CD 3.25Å; A412-R437 WeakPolarHBondContact O-CD 3.5Å; A412-R437 PolarHBondContact O-NE 3.02Å; N413-R437 WeakPolarHBondContact O-CB 3.33Å; N413-R437 WeakPolarHBondContact O-CG 3.32Å; N413-R437 PolarHBondContact O-N 2.85Å; Y414-R437 PolarHBondContact O-NE 3.45Å; Y414-R437 PolarHBondContact O-NH2 3.21Å; R415-R437 HydrophobicContact CB-CG 4.04Å; R437-H439 VanDerWaalsContact C-N 3.34Å; R437-H439 PolarHBondContact O-N 2.92Å
438K97.7Very high98.1Very high175 Ų17553 Ų5376%0.76124%0.238SC*.THydrogen-bonded Turntrans-67.4-29.4179.5-171-178.9175.1-177.70114.2H436H436-K438 VanDerWaalsContact C-N 3.34Å; H436-K438 VanDerWaalsContact CE1-CB 3.48Å; H436-K438 WeakPolarHBondContact CE1-CB 3.19Å; H436-K438 PolarHBondContact ND1-N 2.58Å; H436-K438 PolarHBondContact O-N 3.47Å
439H97.3Very high98.2Very high71 Ų7147.9 Ų47.933%0.32921%0.214SC..THydrogen-bonded Turntrans-96.9-15.3-174.1-65.2-57.1000112.8H436 R437 R441 N445 D472H436-H439 HydrophobicContact CB-CB 4.34Å; H436-H439 AromaticContact CD2-CD2 3.98Å; H436-H439 AromaticContact CE1-CD2 3.89Å; H436-H439 AromaticContact CG-CD2 3.55Å; H436-H439 AromaticContact ND1-CD2 3.46Å; H436-H439 PolarHBondContact ND1-CD2 3Å; H436-H439 PolarHBondContact O-N 2.66Å; R437-H439 VanDerWaalsContact C-N 3.34Å; R437-H439 PolarHBondContact O-N 2.92Å; H439-R441 PolarHBondContact O-N 3.23Å; H439-N445 PolarHBondContact O-ND2 3.48Å; H439-D472 PolarHBondContact NE2-O 3.18Å
440F98.3Very high98.2Very high54 Ų5449.5 Ų49.524%0.23722%0.22CC..  trans-67.2129.4177.8-173.5-105.7000112.5Y435 H436 K442 N445 V476 Y520Y435-F440 HydrophobicContact CD1-CD2 4.42Å; Y435-F440 HydrophobicContact CD2-CB 3.51Å; Y435-F440 HydrophobicContact CD2-CD1 4.39Å; Y435-F440 AromaticContact CD2-CD2 3.9Å; Y435-F440 HydrophobicContact CD2-CD2 3.9Å; Y435-F440 AromaticContact CD2-CG 3.67Å; Y435-F440 HydrophobicContact CD2-CG 3.67Å; Y435-F440 HydrophobicContact CE2-CB 3.86Å; Y435-F440 HydrophobicContact CE2-CD1 4.01Å; Y435-F440 HydrophobicContact CE2-CD2 4.24Å; Y435-F440 AromaticContact CE2-CG 3.76Å; Y435-F440 HydrophobicContact CE2-CG 3.76Å; Y435-F440 HydrophobicContact CG-CB 4.32Å; Y435-F440 AromaticContact CG-CD2 3.97Å; Y435-F440 HydrophobicContact CG-CD2 3.97Å; Y435-F440 HydrophobicContact CG-CG 4.23Å; H436-F440 PolarHBondContact O-N 3.24Å; F440-K442 HydrophobicContact CE1-CB 4.44Å; F440-N445 WeakPolarHBondContact CD2-OD1 3.17Å; F440-V476 HydrophobicContact CD2-CG2 3.82Å; F440-V476 HydrophobicContact CE2-CG2 3.89Å; F440-Y520 HydrophobicContact CE2-CD1 4.13Å; F440-Y520 HydrophobicContact CZ-CD1 4.15Å
441R97.5Very high98.2Very high181 Ų18149.5 Ų49.568%0.68322%0.22SC*.  trans-144.5100.3179.5-66.3-178.3-176.1-178.91.2107.7H439 G443 H444 N445H439-R441 PolarHBondContact O-N 3.23Å; R441-G443 PolarHBondContact O-N 2.74Å; R441-H444 HydrophobicContact CB-CB 4.06Å; R441-H444 WeakPolarHBondContact O-CB 3.46Å; R441-H444 PolarHBondContact O-N 3.21Å; R441-N445 VanDerWaalsContact C-OD1 3.27Å; R441-N445 WeakPolarHBondContact CA-OD1 3.21Å; R441-N445 PolarHBondContact N-OD1 2.87Å; R441-N445 PolarHBondContact O-OD1 3.24Å
442K97.2Very high98.2Very high149 Ų14951.4 Ų51.465%0.64823%0.227SC*.THydrogen-bonded Turntrans-42.2122.1-176.8-166.8176.3-172.4174.30112.3F440 H444 L518 G519F440-K442 HydrophobicContact CE1-CB 4.44Å; K442-H444 VanDerWaalsContact C-N 3.34Å; K442-H444 PolarHBondContact O-N 2.72Å; K442-H444 PolarHBondContact O-ND1 2.86Å; K442-L518 WeakPolarHBondContact CE-O 3.12Å; K442-G519 CarbonylContact C-O 3.51Å; K442-G519 VanDerWaalsContact CA-O 3.28Å; K442-G519 WeakPolarHBondContact CA-O 3.26Å; K442-G519 WeakPolarHBondContact CG-O 3.34Å
443G97.8Very high98.2Very high26 Ų2651.5 Ų51.527%0.26823%0.229SC..THydrogen-bonded Turntrans79.61.2178.200000116.2R441 G519 S522R441-G443 PolarHBondContact O-N 2.74Å; G443-G519 PolarHBondContact N-O 3.49Å; G443-S522 WeakPolarHBondContact O-CA 3.42Å; G443-S522 WeakPolarHBondContact O-CB 3.24Å
444H98.1Very high98.2Very high138 Ų13851.6 Ų51.664%0.63923%0.229SC*.THydrogen-bonded Turntrans-121.2-14.8-172.9-61.580.5000114.1R441 K442R441-H444 HydrophobicContact CB-CB 4.06Å; R441-H444 WeakPolarHBondContact O-CB 3.46Å; R441-H444 PolarHBondContact O-N 3.21Å; K442-H444 VanDerWaalsContact C-N 3.34Å; K442-H444 PolarHBondContact O-N 2.72Å; K442-H444 PolarHBondContact O-ND1 2.86Å
445N98.7Very high98.1Very high9 Ų955.4 Ų55.45%0.04824%0.244CC..SBendtrans-73.7146.5179.5-66.392.1000111.8H439 F440 R441 G474 V476 G521 S522H439-N445 PolarHBondContact O-ND2 3.48Å; F440-N445 WeakPolarHBondContact CD2-OD1 3.17Å; R441-N445 VanDerWaalsContact C-OD1 3.27Å; R441-N445 WeakPolarHBondContact CA-OD1 3.21Å; R441-N445 PolarHBondContact N-OD1 2.87Å; R441-N445 PolarHBondContact O-OD1 3.24Å; N445-G474 WeakPolarHBondContact CB-O 3.43Å; N445-G474 PolarHBondContact ND2-O 3.07Å; N445-V476 HydrophobicContact CB-CG2 3.92Å; N445-G521 CarbonylContact O-C 3.42Å; N445-G521 VanDerWaalsContact O-CA 3.3Å; N445-G521 WeakPolarHBondContact O-CA 3.41Å; N445-S522 PolarHBondContact O-N 2.89Å
446P98.7Very high98Very high24 Ų2455.9 Ų55.916%0.15625%0.252CS..  trans-57.9139.4157.5-18.330.6000110.3F475 V476 L525 Y527P446-F475 HydrophobicContact CB-CD1 3.64Å; P446-F475 HydrophobicContact CB-CD2 3.85Å; P446-F475 HydrophobicContact CB-CE1 3.51Å; P446-F475 HydrophobicContact CB-CE2 3.72Å; P446-F475 HydrophobicContact CB-CG 3.81Å; P446-F475 HydrophobicContact CB-CZ 3.54Å; P446-F475 HydrophobicContact CG-CD2 4.09Å; P446-F475 HydrophobicContact CG-CE2 3.93Å; P446-F475 HydrophobicContact CG-CG 4.47Å; P446-F475 HydrophobicContact CG-CZ 4.18Å; P446-F475 CarbonylContact O-C 3.47Å; P446-F475 WeakPolarHBondContact O-CA 3.4Å; P446-V476 PolarHBondContact O-N 2.85Å; P446-L525 WeakPolarHBondContact CA-O 3.46Å; P446-L525 HydrophobicContact CB-CB 4.28Å; P446-L525 HydrophobicContact CG-CD1 4.26Å; P446-Y527 HydrophobicContact CB-CE2 4.25Å
447L98.9Very high97.9Very high0 Ų057 Ų570%026%0.264CS..EExtended strand (participates in β ladder)trans-118.3126177.1173.265.1000108.7V449 V476 A478 L515 L516 L525 C526 Y527L447-V449 HydrophobicContact CD1-CG2 4.17Å; L447-V449 HydrophobicContact CD2-CG2 3.78Å; L447-V449 HydrophobicContact CG-CG2 3.67Å; L447-V476 WeakPolarHBondContact CA-O 3.23Å; L447-V476 HydrophobicContact CD1-CB 3.93Å; L447-V476 HydrophobicContact CD1-CG1 3.93Å; L447-A478 HydrophobicContact CD1-CB 4.22Å; L447-L515 HydrophobicContact CD2-CB 4Å; L447-L515 HydrophobicContact CD2-CD1 4.43Å; L447-L516 HydrophobicContact CD2-CD2 4.11Å; L447-L516 HydrophobicContact CD2-CG 4.49Å; L447-L525 PolarHBondContact N-O 3.06Å; L447-C526 CarbonylContact O-C 3.58Å; L447-Y527 PolarHBondContact O-N 2.67Å
448L98.8Very high97.8Very high11 Ų1151.7 Ų51.76%0.05825%0.248CC..EExtended strand (participates in β ladder)trans-109.2118.2168.1179.561.4000108.8L470 F475 V476 Y477 A478 Y527 M529L448-L470 HydrophobicContact CD2-CD1 3.62Å; L448-F475 HydrophobicContact CB-CD1 4.05Å; L448-F475 HydrophobicContact CB-CE1 4.48Å; L448-V476 PolarHBondContact N-O 2.97Å; L448-Y477 HydrophobicContact CB-CD2 4.29Å; L448-Y477 HydrophobicContact CD2-CD2 3.94Å; L448-Y477 HydrophobicContact CD2-CE2 4.03Å; L448-Y477 HydrophobicContact CG-CD2 4.13Å; L448-Y477 HydrophobicContact CG-CE2 4.29Å; L448-Y477 WeakPolarHBondContact O-CA 3.47Å; L448-A478 PolarHBondContact O-N 2.72Å; L448-Y527 WeakPolarHBondContact CA-O 3.47Å; L448-M529 HydrophobicContact CD1-CB 3.99Å; L448-M529 HydrophobicContact CD2-SD 4.46Å
449V98.9Very high97.8Very high0 Ų045.2 Ų45.20%022%0.221CC..EExtended strand (participates in β ladder)trans-104.9130.4178.9-168.10000109.3L447 A478 V480 Y508 L515 Y527 A528 M529L447-V449 HydrophobicContact CD1-CG2 4.17Å; L447-V449 HydrophobicContact CD2-CG2 3.78Å; L447-V449 HydrophobicContact CG-CG2 3.67Å; V449-A478 CarbonylContact C-O 3.52Å; V449-A478 WeakPolarHBondContact CA-O 3.35Å; V449-V480 HydrophobicContact CG1-CG2 3.42Å; V449-V480 VanDerWaalsContact CG1-CG2 3.42Å; V449-Y508 HydrophobicContact CB-CE2 4.47Å; V449-Y508 WeakPolarHBondContact CB-OH 3.33Å; V449-Y508 HydrophobicContact CG1-CE2 3.73Å; V449-Y508 PolarHBondContact O-OH 3.22Å; V449-L515 HydrophobicContact CG2-CD1 4.39Å; V449-Y527 PolarHBondContact N-O 2.89Å; V449-A528 CarbonylContact O-C 3.48Å; V449-A528 WeakPolarHBondContact O-CA 3.18Å; V449-M529 PolarHBondContact O-N 2.84Å
450Y98.8Very high97.7Very high36 Ų3643.6 Ų43.614%0.14122%0.215CC..EExtended strand (participates in β ladder)trans-112.3142.9177.5-175.4-87.6000111.2I459 Y477 A478 V480 M529Y450-I459 HydrophobicContact CD1-CG2 3.92Å; Y450-I459 HydrophobicContact CE1-CB 4.5Å; Y450-I459 HydrophobicContact CE1-CD1 4.2Å; Y450-I459 HydrophobicContact CE1-CG1 4.06Å; Y450-I459 HydrophobicContact CE1-CG2 3.74Å; Y450-Y477 WeakPolarHBondContact CB-OH 3.28Å; Y450-A478 PolarHBondContact N-O 2.78Å; Y450-V480 PolarHBondContact O-N 2.94Å; Y450-M529 WeakPolarHBondContact CA-O 3.48Å; Y450-M529 HydrophobicContact CD2-CB 4.11Å; Y450-M529 HydrophobicContact CD2-CG 3.86Å; Y450-M529 WeakPolarHBondContact CD2-O 3.27Å; Y450-M529 HydrophobicContact CD2-SD 4.27Å; Y450-M529 HydrophobicContact CE2-CG 4.2Å
451G98.5Very high97.5Very high0 Ų041.2 Ų41.20%021%0.205CC..  trans-153.515417400000113.6M529G451-M529 PolarHBondContact N-O 3.06Å
452Y98.5Very high97.4Very high39 Ų3935.8 Ų35.815%0.15319%0.19CC..  trans-132.1-69.5177.8-175.3-102.7000112.4S454 Y455 A457 I459 G531 A533Y452-S454 WeakPolarHBondContact CE1-O 3.27Å; Y452-Y455 AromaticContact CE1-CD2 3.96Å; Y452-Y455 HydrophobicContact CE1-CD2 3.96Å; Y452-Y455 AromaticContact CZ-CD2 4Å; Y452-Y455 VanDerWaalsContact OH-CD2 3.31Å; Y452-Y455 WeakPolarHBondContact OH-CD2 3.16Å; Y452-Y455 VanDerWaalsContact OH-CE2 3.29Å; Y452-Y455 WeakPolarHBondContact OH-CE2 3.2Å; Y452-A457 HydrophobicContact CD1-CB 4.08Å; Y452-A457 HydrophobicContact CE1-CB 3.77Å; Y452-I459 HydrophobicContact CD1-CD1 4.33Å; Y452-I459 HydrophobicContact CG-CD1 4.04Å; Y452-I459 HydrophobicContact CG-CG1 4.45Å; Y452-G531 WeakPolarHBondContact CD2-O 3.35Å; Y452-G531 WeakPolarHBondContact CE2-O 3.22Å; Y452-A533 HydrophobicContact CE2-CB 3.99Å
453G98.2Very high97.4Very high4 Ų429.5 Ų29.54%0.04116%0.162CC..  trans67.838.6163.300000116.7G484 K501 T504G453-G484 CarbonylContact C-O 3.54Å; G453-G484 CarbonylContact O-C 3.57Å; G453-G484 WeakPolarHBondContact O-CA 3.28Å; G453-K501 PolarHBondContact O-NZ 3.39Å; G453-T504 WeakPolarHBondContact O-CG2 3.44Å; G453-T504 PolarHBondContact O-OG1 2.99Å
454S98Very high97.3Very high1 Ų129.7 Ų29.71%0.00716%0.16CC..  trans-145.6160.2178.5-48.40000111.7Y452 G456 A457 G484 K501 A533 W580Y452-S454 WeakPolarHBondContact CE1-O 3.27Å; S454-G456 PolarHBondContact O-N 3.11Å; S454-G456 VanDerWaalsContact O-N 3.12Å; S454-A457 PolarHBondContact O-N 2.89Å; S454-A457 VanDerWaalsContact O-N 3.1Å; S454-G484 CarbonylContact C-O 3.33Å; S454-G484 VanDerWaalsContact CA-O 3.25Å; S454-G484 WeakPolarHBondContact CA-O 3.4Å; S454-G484 PolarHBondContact N-O 2.74Å; S454-K501 PolarHBondContact OG-NZ 3.31Å; S454-A533 WeakPolarHBondContact OG-CB 3.38Å; S454-W580 WeakPolarHBondContact OG-CH2 3.1Å
455Y95.9Very high97.1Very high81 Ų8126.4 Ų26.432%0.31814%0.144SC..THydrogen-bonded Turntrans59.713.7177.8-43.8-82.3000115.8Y452 A457 A533 E576 E579 W580Y452-Y455 AromaticContact CE1-CD2 3.96Å; Y452-Y455 HydrophobicContact CE1-CD2 3.96Å; Y452-Y455 AromaticContact CZ-CD2 4Å; Y452-Y455 VanDerWaalsContact OH-CD2 3.31Å; Y452-Y455 WeakPolarHBondContact OH-CD2 3.16Å; Y452-Y455 VanDerWaalsContact OH-CE2 3.29Å; Y452-Y455 WeakPolarHBondContact OH-CE2 3.2Å; Y455-A457 PolarHBondContact O-N 3.1Å; Y455-A533 HydrophobicContact CE2-CB 3.67Å; Y455-E576 HydrophobicContact CE1-CG 4.48Å; Y455-E576 PolarHBondContact OH-OE1 2.78Å; Y455-E579 HydrophobicContact CD1-CB 4.41Å; Y455-E579 HydrophobicContact CD1-CG 3.96Å; Y455-E579 HydrophobicContact CE1-CB 4.27Å; Y455-E579 HydrophobicContact CE1-CG 3.85Å; Y455-E579 PolarHBondContact N-OE1 2.81Å; Y455-W580 HydrophobicContact CE1-CZ2 4.43Å; Y455-W580 HydrophobicContact CE2-CZ2 4.44Å; Y455-W580 AromaticContact CZ-CZ2 3.9Å
456G95.9Very high96.9Very high20 Ų2028.6 Ų28.621%0.20616%0.16CC..THydrogen-bonded Turntrans68.29.8-171.600000113.4S454 S458 G484 G486 Y493S454-G456 PolarHBondContact O-N 3.11Å; S454-G456 VanDerWaalsContact O-N 3.12Å; G456-S458 PolarHBondContact O-N 2.81Å; G456-G484 PolarHBondContact N-O 2.76Å; G456-G486 WeakPolarHBondContact O-CA 3.46Å; G456-G486 PolarHBondContact O-N 3.26Å; G456-G486 VanDerWaalsContact O-N 3.11Å; G456-Y493 VanDerWaalsContact CA-CG 3.5Å; G456-Y493 VanDerWaalsContact N-CE2 3.35Å
457A95.8Very high96.8Very high40 Ų4028.5 Ų28.533%0.33116%0.156SC..  trans-70.4122.6177.400000109.7Y452 S454 Y455 G485Y452-A457 HydrophobicContact CD1-CB 4.08Å; Y452-A457 HydrophobicContact CE1-CB 3.77Å; S454-A457 PolarHBondContact O-N 2.89Å; S454-A457 VanDerWaalsContact O-N 3.1Å; Y455-A457 PolarHBondContact O-N 3.1Å; A457-G485 WeakPolarHBondContact O-CA 3.46Å
458S96.8Very high96.8Very high27 Ų2728.7 Ų28.719%0.18916%0.157CC..  trans-83.8135.3175.3-61.50000110.1G456 G486 E487G456-S458 PolarHBondContact O-N 2.81Å; S458-G486 VanDerWaalsContact OG-C 3.24Å; S458-G486 WeakPolarHBondContact OG-CA 3.47Å; S458-E487 PolarHBondContact OG-N 3.42Å
459I97Very high96.7Very high38 Ų3828.4 Ų28.420%0.19516%0.156CC..  trans-9792.3169.3-54-58.5000107.4Y450 Y452 I479 H481 E487Y450-I459 HydrophobicContact CD1-CG2 3.92Å; Y450-I459 HydrophobicContact CE1-CB 4.5Å; Y450-I459 HydrophobicContact CE1-CD1 4.2Å; Y450-I459 HydrophobicContact CE1-CG1 4.06Å; Y450-I459 HydrophobicContact CE1-CG2 3.74Å; Y452-I459 HydrophobicContact CD1-CD1 4.33Å; Y452-I459 HydrophobicContact CG-CD1 4.04Å; Y452-I459 HydrophobicContact CG-CG1 4.45Å; I459-I479 HydrophobicContact CB-CG2 3.92Å; I459-I479 HydrophobicContact CG2-CD1 4.24Å; I459-I479 HydrophobicContact CG2-CG2 3.61Å; I459-H481 PolarHBondContact O-CE1 2.98Å; I459-H481 PolarHBondContact O-ND1 3.41Å; I459-H481 VanDerWaalsContact O-ND1 3.16Å; I459-E487 PolarHBondContact N-OE1 3.31Å
460D95.5Very high96.7Very high38 Ų3831 Ų3120%0.20317%0.17CC..  trans-73.3154.4-174.5-77.2-45.2000113.6R333 V361 D462R333-D460 IonicContact CZ-OD1 2.67Å; R333-D460 VanDerWaalsContact CZ-OD1 3.24Å; R333-D460 IonicContact CZ-OD2 3.95Å; R333-D460 IonicContact NH1-OD1 3.26Å; R333-D460 PolarHBondContact NH1-OD1 3.32Å; R333-D460 IonicContact NH2-OD1 2.87Å; R333-D460 PolarHBondContact NH2-OD1 2.85Å; R333-D460 IonicContact NH2-OD2 3Å; R333-D460 PolarHBondContact NH2-OD2 3.45Å; V361-D460 HydrophobicContact CB-CB 3.83Å; V361-D460 HydrophobicContact CG1-CB 4.32Å; V361-D460 HydrophobicContact CG2-CB 3.7Å; D460-D462 PolarHBondContact O-N 2.95Å
461A94.1Very high96.7Very high3 Ų329.4 Ų29.43%0.02516%0.164CC..  trans-81.859.3-175.200000112.4A359 S381 M382A359-A461 HydrophobicContact CB-CB 3.88Å; S381-A461 CarbonylContact C-O 3.53Å; S381-A461 WeakPolarHBondContact CA-O 3.38Å; M382-A461 HydrophobicContact CG-CB 3.86Å; M382-A461 WeakPolarHBondContact CG-O 3.31Å; M382-A461 PolarHBondContact N-O 3.17Å; M382-A461 HydrophobicContact SD-CB 4.22Å
462D95.7Very high96.6Very high67 Ų6731.8 Ų31.836%0.35818%0.176SC..  trans-82.9172.8-177.271.82.1000114.5V361 S381 M382 D460 R467V361-D462 HydrophobicContact CG1-CB 4.01Å; S381-D462 CarbonylContact O-C 3.53Å; M382-D462 WeakPolarHBondContact CA-O 3.44Å; D460-D462 PolarHBondContact O-N 2.95Å; D462-R467 PolarHBondContact O-NH1 2.9Å; D462-R467 IonicContact OD1-NH2 3.45Å; D462-R467 PolarHBondContact OD1-NH2 3.4Å
463F97.2Very high96.6Very high17 Ų1734.3 Ų34.38%0.07519%0.186CC..  trans-80.4143.6171.6-169.7-98000112.2S380 S381 T384 P385 V406 F409 F465 L468S380-F463 WeakPolarHBondContact OG-CB 3.48Å; S380-F463 PolarHBondContact OG-N 2.97Å; S381-F463 WeakPolarHBondContact O-CA 3.47Å; S381-F463 VanDerWaalsContact O-CB 3.31Å; S381-F463 WeakPolarHBondContact O-CB 3.33Å; S381-F463 PolarHBondContact O-N 3.26Å; T384-F463 WeakPolarHBondContact O-CB 3.16Å; P385-F463 HydrophobicContact CB-CD1 4.05Å; P385-F463 HydrophobicContact CB-CE1 4.24Å; P385-F463 HydrophobicContact CB-CG 4.29Å; P385-F463 HydrophobicContact CG-CD1 4.15Å; P385-F463 HydrophobicContact CG-CD2 4.25Å; P385-F463 HydrophobicContact CG-CE1 3.96Å; P385-F463 HydrophobicContact CG-CE2 4.07Å; P385-F463 HydrophobicContact CG-CG 4.28Å; P385-F463 HydrophobicContact CG-CZ 3.91Å; V406-F463 HydrophobicContact CG2-CE1 3.83Å; V406-F463 HydrophobicContact CG2-CZ 4.27Å; F409-F463 HydrophobicContact CD1-CZ 4.46Å; F409-F463 HydrophobicContact CD2-CE2 4.22Å; F409-F463 HydrophobicContact CD2-CZ 4.04Å; F409-F463 HydrophobicContact CE1-CE2 4.05Å; F409-F463 HydrophobicContact CE1-CZ 4.31Å; F409-F463 AromaticContact CE2-CE2 3.55Å; F409-F463 HydrophobicContact CE2-CE2 3.55Å; F409-F463 AromaticContact CE2-CZ 3.86Å; F409-F463 HydrophobicContact CE2-CZ 3.86Å; F409-F463 HydrophobicContact CG-CZ 4.33Å; F409-F463 HydrophobicContact CZ-CD2 4.46Å; F409-F463 AromaticContact CZ-CE2 3.46Å; F409-F463 HydrophobicContact CZ-CE2 3.46Å; F409-F463 VanDerWaalsContact CZ-CE2 3.46Å; F409-F463 HydrophobicContact CZ-CZ 4.01Å; F463-F465 HydrophobicContact CE1-CB 4.03Å; F463-L468 HydrophobicContact CE2-CD2 4.45Å; F463-L468 HydrophobicContact CZ-CD1 4.13Å; F463-L468 HydrophobicContact CZ-CD2 4.33Å; F463-L468 HydrophobicContact CZ-CG 4.43Å
464S96.2Very high96.6Very high30 Ų3034.5 Ų34.521%0.2119%0.187CC..  trans-142.7116.2170.91750000110.3S466 R467S464-S466 VanDerWaalsContact C-N 3.27Å; S464-S466 PolarHBondContact O-N 3.22Å; S464-S466 PolarHBondContact OG-OG 3.36Å; S464-R467 VanDerWaalsContact O-CB 3.29Å; S464-R467 WeakPolarHBondContact O-CB 3.39Å; S464-R467 PolarHBondContact O-N 2.87Å
465F93.6Very high96.6Very high70 Ų7036.3 Ų36.331%0.30720%0.195SC..THydrogen-bonded Turntrans-66.6-28.4178.959.1-96.9000112.5I65 R68 I69 V406 F463 R467 L468I65-F465 HydrophobicContact CG2-CD2 4.11Å; I65-F465 HydrophobicContact CG2-CE2 3.72Å; R68-F465 HydrophobicContact CB-CB 4.38Å; I69-F465 HydrophobicContact CD1-CE2 3.9Å; I69-F465 HydrophobicContact CD1-CZ 4Å; I69-F465 HydrophobicContact CG1-CD2 4.4Å; I69-F465 HydrophobicContact CG1-CE2 3.79Å; I69-F465 HydrophobicContact CG1-CZ 3.94Å; V406-F465 HydrophobicContact CG1-CB 4.22Å; F463-F465 HydrophobicContact CE1-CB 4.03Å; F465-R467 VanDerWaalsContact C-N 3.31Å; F465-R467 PolarHBondContact O-N 3.1Å; F465-L468 WeakPolarHBondContact O-CB 3.04Å; F465-L468 WeakPolarHBondContact O-CG 3.12Å; F465-L468 PolarHBondContact O-N 2.78Å
466S94.6Very high96.8Very high55 Ų5532.4 Ų32.439%0.38518%0.18SC..THydrogen-bonded Turntrans-69.5-30.9176.962.20000112.2S464 L468 S469S464-S466 VanDerWaalsContact C-N 3.27Å; S464-S466 PolarHBondContact O-N 3.22Å; S464-S466 PolarHBondContact OG-OG 3.36Å; S466-L468 PolarHBondContact O-N 2.78Å; S466-S469 PolarHBondContact O-N 3.04Å
467R97Very high96.9Very high21 Ų2132.6 Ų32.68%0.07918%0.175CC..THydrogen-bonded Turntrans-61.6-30.1175-163.8-174.6-63.3141.71.5112.2D462 S464 F465 S469 L470 L471 Y477D462-R467 PolarHBondContact O-NH1 2.9Å; D462-R467 IonicContact OD1-NH2 3.45Å; D462-R467 PolarHBondContact OD1-NH2 3.4Å; S464-R467 VanDerWaalsContact O-CB 3.29Å; S464-R467 WeakPolarHBondContact O-CB 3.39Å; S464-R467 PolarHBondContact O-N 2.87Å; F465-R467 VanDerWaalsContact C-N 3.31Å; F465-R467 PolarHBondContact O-N 3.1Å; R467-S469 PolarHBondContact O-N 3.26Å; R467-L470 WeakPolarHBondContact O-CB 3.5Å; R467-L470 PolarHBondContact O-N 2.68Å; R467-L471 HydrophobicContact CG-CD1 4.45Å; R467-L471 HydrophobicContact CG-CG 4.34Å; R467-L471 PolarHBondContact O-N 2.74Å; R467-Y477 HydrophobicContact CG-CD1 4.37Å; R467-Y477 HydrophobicContact CG-CD2 4.22Å; R467-Y477 HydrophobicContact CG-CG 4.03Å
468L97.7Very high97.1Very high4 Ų430.7 Ų30.72%0.02116%0.159CC..Hα-helixtrans-56-37.3-179.1-60.9-177.7000112.5V406 F409 Y414 F463 F465 S466 L470 L471 D472V406-L468 HydrophobicContact CG1-CD1 4.11Å; F409-L468 HydrophobicContact CB-CD1 4.35Å; F409-L468 HydrophobicContact CD2-CD1 3.61Å; F409-L468 HydrophobicContact CD2-CD2 3.86Å; F409-L468 HydrophobicContact CD2-CG 4.41Å; F409-L468 HydrophobicContact CE2-CD1 4.35Å; F409-L468 HydrophobicContact CE2-CD2 3.83Å; F409-L468 HydrophobicContact CG-CD1 4.32Å; Y414-L468 HydrophobicContact CE1-CD2 3.94Å; Y414-L468 HydrophobicContact CE2-CD2 4.14Å; F463-L468 HydrophobicContact CE2-CD2 4.45Å; F463-L468 HydrophobicContact CZ-CD1 4.13Å; F463-L468 HydrophobicContact CZ-CD2 4.33Å; F463-L468 HydrophobicContact CZ-CG 4.43Å; F465-L468 WeakPolarHBondContact O-CB 3.04Å; F465-L468 WeakPolarHBondContact O-CG 3.12Å; F465-L468 PolarHBondContact O-N 2.78Å; S466-L468 PolarHBondContact O-N 2.78Å; L468-L470 PolarHBondContact O-N 3.17Å; L468-L470 VanDerWaalsContact O-N 3.16Å; L468-L471 HydrophobicContact CD2-CD1 4.3Å; L468-L471 PolarHBondContact O-N 2.95Å; L468-L471 VanDerWaalsContact O-N 3.11Å; L468-D472 WeakPolarHBondContact O-CB 3.37Å; L468-D472 PolarHBondContact O-N 3.44Å
469S97.5Very high97.1Very high5 Ų529.5 Ų29.54%0.03515%0.15CC..Hα-helixtrans-57.5-31.6177-66.10000113.4E64 R68 S466 R467 R473E64-S469 PolarHBondContact OE2-OG 3.01Å; R68-S469 PolarHBondContact NH1-OG 2.77Å; S466-S469 PolarHBondContact O-N 3.04Å; R467-S469 PolarHBondContact O-N 3.26Å; S469-R473 VanDerWaalsContact O-CD 3.29Å; S469-R473 WeakPolarHBondContact O-CD 2.99Å; S469-R473 WeakPolarHBondContact O-CG 3.39Å; S469-R473 PolarHBondContact O-NH1 2.97Å
470L98.2Very high97.2Very high55 Ų5527.9 Ų27.929%0.28814%0.142SC..Hα-helixtrans-77.9-47.9173.7-68.9175.2000111.2L448 R467 L468 D472 R473 G474 F475L448-L470 HydrophobicContact CD2-CD1 3.62Å; R467-L470 WeakPolarHBondContact O-CB 3.5Å; R467-L470 PolarHBondContact O-N 2.68Å; L468-L470 PolarHBondContact O-N 3.17Å; L468-L470 VanDerWaalsContact O-N 3.16Å; L470-D472 VanDerWaalsContact C-N 3.33Å; L470-D472 PolarHBondContact O-N 3.01Å; L470-R473 CarbonylContact O-C 3.46Å; L470-R473 WeakPolarHBondContact O-CA 3.48Å; L470-R473 PolarHBondContact O-N 2.66Å; L470-G474 PolarHBondContact O-N 2.78Å; L470-F475 HydrophobicContact CB-CB 3.91Å; L470-F475 HydrophobicContact CB-CD2 4.42Å; L470-F475 HydrophobicContact CB-CG 4.15Å; L470-F475 HydrophobicContact CD2-CD1 4.36Å; L470-F475 HydrophobicContact CD2-CD2 4.06Å; L470-F475 HydrophobicContact CD2-CE1 4.48Å; L470-F475 HydrophobicContact CD2-CE2 4.19Å; L470-F475 HydrophobicContact CD2-CG 4.16Å; L470-F475 HydrophobicContact CD2-CZ 4.4Å; L470-F475 WeakPolarHBondContact O-CB 3.4Å; L470-F475 PolarHBondContact O-N 2.92Å; L470-F475 VanDerWaalsContact O-N 3.07Å
471L98.4Very high97.3Very high3 Ų326.1 Ų26.12%0.01613%0.132CC..Hα-helixtrans-61.5-42-177.4-55.4-176.5000111.7Y414 V434 H436 R467 L468 R473 G474Y414-L471 HydrophobicContact CD1-CB 4.15Å; Y414-L471 HydrophobicContact CD1-CD1 3.8Å; Y414-L471 HydrophobicContact CE1-CB 3.84Å; Y414-L471 HydrophobicContact CE1-CD1 4.04Å; V434-L471 HydrophobicContact CG1-CD1 3.86Å; V434-L471 HydrophobicContact CG1-CD2 4.02Å; V434-L471 HydrophobicContact CG2-CD1 4.08Å; H436-L471 HydrophobicContact CB-CB 4.4Å; H436-L471 VanDerWaalsContact CB-O 3.23Å; H436-L471 WeakPolarHBondContact CB-O 3.32Å; R467-L471 HydrophobicContact CG-CD1 4.45Å; R467-L471 HydrophobicContact CG-CG 4.34Å; R467-L471 PolarHBondContact O-N 2.74Å; L468-L471 HydrophobicContact CD2-CD1 4.3Å; L468-L471 PolarHBondContact O-N 2.95Å; L468-L471 VanDerWaalsContact O-N 3.11Å; L471-R473 PolarHBondContact O-N 3.18Å; L471-G474 PolarHBondContact O-N 3.19Å
472D97.7Very high97.6Very high49 Ų4926 Ų2626%0.26213%0.132SC..THydrogen-bonded Turntrans-67.6-13.5177.2-61.7-16.8000112.3R68 Y414 H436 H439 L468 L470R68-D472 IonicContact NH2-OD2 3.46Å; R68-D472 PolarHBondContact NH2-OD2 3.11Å; Y414-D472 WeakPolarHBondContact CE1-OD1 3.3Å; Y414-D472 PolarHBondContact OH-OD1 3.16Å; H436-D472 IonicContact CD2-OD1 3.48Å; H436-D472 PolarHBondContact CD2-OD1 3.03Å; H439-D472 PolarHBondContact NE2-O 3.18Å; L468-D472 WeakPolarHBondContact O-CB 3.37Å; L468-D472 PolarHBondContact O-N 3.44Å; L470-D472 VanDerWaalsContact C-N 3.33Å; L470-D472 PolarHBondContact O-N 3.01Å
473R97.8Very high97.7Very high93 Ų9323.2 Ų23.235%0.35112%0.116SC..THydrogen-bonded Turntrans-103.310.7172.4-69.2174.2175.671.5-0.1112.8E64 S469 L470 L471E64-R473 VanDerWaalsContact CD-NH2 3.3Å; E64-R473 IonicContact OE1-CZ 3.23Å; E64-R473 IonicContact OE1-NH1 3.61Å; E64-R473 IonicContact OE1-NH2 3.64Å; E64-R473 PolarHBondContact OE1-NH2 2.96Å; E64-R473 IonicContact OE2-CZ 3.82Å; E64-R473 IonicContact OE2-NH1 3.59Å; E64-R473 PolarHBondContact OE2-NH1 2.88Å; E64-R473 IonicContact OE2-NH2 3.22Å; E64-R473 PolarHBondContact OE2-NH2 3.09Å; E64-R473 VanDerWaalsContact OE2-NH2 3.09Å; S469-R473 VanDerWaalsContact O-CD 3.29Å; S469-R473 WeakPolarHBondContact O-CD 2.99Å; S469-R473 WeakPolarHBondContact O-CG 3.39Å; S469-R473 PolarHBondContact O-NH1 2.97Å; L470-R473 CarbonylContact O-C 3.46Å; L470-R473 WeakPolarHBondContact O-CA 3.48Å; L470-R473 PolarHBondContact O-N 2.66Å; L471-R473 PolarHBondContact O-N 3.18Å
474G98.2Very high97.8Very high7 Ų722.4 Ų22.47%0.07211%0.113CC..THydrogen-bonded Turntrans83.514.7173.400000115.2N445 L470 L471N445-G474 WeakPolarHBondContact CB-O 3.43Å; N445-G474 PolarHBondContact ND2-O 3.07Å; L470-G474 PolarHBondContact O-N 2.78Å; L471-G474 PolarHBondContact O-N 3.19Å
475F98.8Very high97.8Very high39 Ų3921 Ų2117%0.17110%0.103CC..  trans-68145.2167.3-83.6-109.7000110.8P446 L448 L470 Y527P446-F475 HydrophobicContact CB-CD1 3.64Å; P446-F475 HydrophobicContact CB-CD2 3.85Å; P446-F475 HydrophobicContact CB-CE1 3.51Å; P446-F475 HydrophobicContact CB-CE2 3.72Å; P446-F475 HydrophobicContact CB-CG 3.81Å; P446-F475 HydrophobicContact CB-CZ 3.54Å; P446-F475 HydrophobicContact CG-CD2 4.09Å; P446-F475 HydrophobicContact CG-CE2 3.93Å; P446-F475 HydrophobicContact CG-CG 4.47Å; P446-F475 HydrophobicContact CG-CZ 4.18Å; P446-F475 CarbonylContact O-C 3.47Å; P446-F475 WeakPolarHBondContact O-CA 3.4Å; L448-F475 HydrophobicContact CB-CD1 4.05Å; L448-F475 HydrophobicContact CB-CE1 4.48Å; L470-F475 HydrophobicContact CB-CB 3.91Å; L470-F475 HydrophobicContact CB-CD2 4.42Å; L470-F475 HydrophobicContact CB-CG 4.15Å; L470-F475 HydrophobicContact CD2-CD1 4.36Å; L470-F475 HydrophobicContact CD2-CD2 4.06Å; L470-F475 HydrophobicContact CD2-CE1 4.48Å; L470-F475 HydrophobicContact CD2-CE2 4.19Å; L470-F475 HydrophobicContact CD2-CG 4.16Å; L470-F475 HydrophobicContact CD2-CZ 4.4Å; L470-F475 WeakPolarHBondContact O-CB 3.4Å; L470-F475 PolarHBondContact O-N 2.92Å; L470-F475 VanDerWaalsContact O-N 3.07Å; F475-Y527 AromaticContact CE1-CD2 3.79Å; F475-Y527 HydrophobicContact CE1-CD2 3.79Å; F475-Y527 AromaticContact CE1-CE2 3.99Å; F475-Y527 HydrophobicContact CE1-CE2 3.99Å; F475-Y527 HydrophobicContact CE1-CG 4.46Å; F475-Y527 HydrophobicContact CZ-CD2 4.35Å; F475-Y527 HydrophobicContact CZ-CE2 4.1Å
476V98.8Very high97.9Very high0 Ų017.8 Ų17.80%09%0.089CC..EExtended strand (participates in β ladder)trans-93131.2155.1-1780000107.3L433 F440 N445 P446 L447 L448 Y520L433-V476 HydrophobicContact CD1-CG1 4.47Å; F440-V476 HydrophobicContact CD2-CG2 3.82Å; F440-V476 HydrophobicContact CE2-CG2 3.89Å; N445-V476 HydrophobicContact CB-CG2 3.92Å; P446-V476 PolarHBondContact O-N 2.85Å; L447-V476 WeakPolarHBondContact CA-O 3.23Å; L447-V476 HydrophobicContact CD1-CB 3.93Å; L447-V476 HydrophobicContact CD1-CG1 3.93Å; L448-V476 PolarHBondContact N-O 2.97Å; V476-Y520 WeakPolarHBondContact CG2-O 3.28Å
477Y98.8Very high98.1Very high24 Ų2415.4 Ų15.49%0.0947%0.072CC..EExtended strand (participates in β ladder)trans-108.4128.7173.8-177.7-90.5000109.1M382 L433 V434 L448 Y450 R467 I479M382-Y477 HydrophobicContact CE-CD1 3.72Å; M382-Y477 HydrophobicContact CE-CE1 4.17Å; L433-Y477 CarbonylContact C-O 3.54Å; L433-Y477 WeakPolarHBondContact CA-O 3.49Å; L433-Y477 WeakPolarHBondContact CB-O 3.2Å; V434-Y477 HydrophobicContact CG1-CD1 4.5Å; V434-Y477 PolarHBondContact N-O 3.23Å; V434-Y477 PolarHBondContact O-N 3.26Å; L448-Y477 HydrophobicContact CB-CD2 4.29Å; L448-Y477 HydrophobicContact CD2-CD2 3.94Å; L448-Y477 HydrophobicContact CD2-CE2 4.03Å; L448-Y477 HydrophobicContact CG-CD2 4.13Å; L448-Y477 HydrophobicContact CG-CE2 4.29Å; L448-Y477 WeakPolarHBondContact O-CA 3.47Å; Y450-Y477 WeakPolarHBondContact CB-OH 3.28Å; R467-Y477 HydrophobicContact CG-CD1 4.37Å; R467-Y477 HydrophobicContact CG-CD2 4.22Å; R467-Y477 HydrophobicContact CG-CG 4.03Å; Y477-I479 HydrophobicContact CD1-CG1 4.36Å; Y477-I479 HydrophobicContact CE1-CD1 4.05Å; Y477-I479 HydrophobicContact CE1-CG1 3.57Å
478A98.7Very high98.1Very high0 Ų016.6 Ų16.60%08%0.08CC..EExtended strand (participates in β ladder)trans-128.7139.8179.900000111V431 S432 L433 L447 L448 V449 Y450 L515V431-A478 HydrophobicContact CG1-CB 4.21Å; S432-A478 CarbonylContact O-C 3.56Å; S432-A478 WeakPolarHBondContact O-CA 3.35Å; L433-A478 HydrophobicContact CB-CB 3.98Å; L447-A478 HydrophobicContact CD1-CB 4.22Å; L448-A478 PolarHBondContact O-N 2.72Å; V449-A478 CarbonylContact C-O 3.52Å; V449-A478 WeakPolarHBondContact CA-O 3.35Å; Y450-A478 PolarHBondContact N-O 2.78Å; A478-L515 HydrophobicContact CB-CD1 3.78Å
479I98.5Very high97.9Very high2 Ų216.5 Ų16.51%0.018%0.079CC..EExtended strand (participates in β ladder)trans-108.5122.1170.4-58169.3000106.8M382 V431 S432 I459 Y477M382-I479 HydrophobicContact CE-CD1 4.13Å; M382-I479 HydrophobicContact CE-CG1 4.45Å; V431-I479 WeakPolarHBondContact CA-O 3.49Å; V431-I479 WeakPolarHBondContact CG1-O 3.44Å; S432-I479 PolarHBondContact N-O 2.84Å; S432-I479 VanDerWaalsContact N-O 3.08Å; S432-I479 PolarHBondContact O-N 3.12Å; I459-I479 HydrophobicContact CB-CG2 3.92Å; I459-I479 HydrophobicContact CG2-CD1 4.24Å; I459-I479 HydrophobicContact CG2-CG2 3.61Å; Y477-I479 HydrophobicContact CD1-CG1 4.36Å; Y477-I479 HydrophobicContact CE1-CD1 4.05Å; Y477-I479 HydrophobicContact CE1-CG1 3.57Å
480V98.6Very high97.8Very high3 Ų317.4 Ų17.42%0.0188%0.083CC..EExtended strand (participates in β ladder)trans-96.6116.2173.6-1720000108.8V429 V431 V449 Y450 V482 Y508 A511V429-V480 HydrophobicContact CG1-CG1 3.83Å; V431-V480 HydrophobicContact CG2-CB 4.47Å; V431-V480 HydrophobicContact CG2-CG1 4.14Å; V431-V480 HydrophobicContact CG2-CG2 4.24Å; V449-V480 HydrophobicContact CG1-CG2 3.42Å; V449-V480 VanDerWaalsContact CG1-CG2 3.42Å; Y450-V480 PolarHBondContact O-N 2.94Å; V480-V482 HydrophobicContact CB-CG1 4.01Å; V480-V482 HydrophobicContact CG1-CG1 3.42Å; V480-V482 VanDerWaalsContact CG1-CG1 3.42Å; V480-V482 PolarHBondContact O-N 3.1Å; V480-Y508 HydrophobicContact CB-CD2 4.24Å; V480-Y508 HydrophobicContact CG2-CD2 4.4Å; V480-A511 HydrophobicContact CB-CB 4.21Å; V480-A511 HydrophobicContact CG1-CB 3.38Å; V480-A511 HydrophobicContact CG2-CB 3.68Å
481H98.2Very high97.7Very high1 Ų118.3 Ų18.31%0.0059%0.086CC..  trans-83.560.6-178.1-56.5-67.2000110.7P430 S432 I459 E487 W492P430-H481 HydrophobicContact CB-CB 4.28Å; P430-H481 HydrophobicContact CG-CB 3.8Å; P430-H481 WeakPolarHBondContact O-CB 3.36Å; P430-H481 PolarHBondContact O-CD2 3.23Å; P430-H481 VanDerWaalsContact O-CD2 3.29Å; P430-H481 PolarHBondContact O-N 3.14Å; S432-H481 WeakPolarHBondContact CB-NE2 3.36Å; S432-H481 PolarHBondContact N-NE2 3.21Å; S432-H481 PolarHBondContact OG-NE2 2.86Å; I459-H481 PolarHBondContact O-CE1 2.98Å; I459-H481 PolarHBondContact O-ND1 3.41Å; I459-H481 VanDerWaalsContact O-ND1 3.16Å; H481-E487 HydrophobicContact CB-CB 3.98Å; H481-E487 HydrophobicContact CB-CG 3.67Å; H481-E487 IonicContact CG-OE1 3.63Å; H481-E487 IonicContact ND1-OE1 3.58Å; H481-E487 PolarHBondContact ND1-OE1 3.47Å; H481-W492 WeakPolarHBondContact O-CZ2 3.08Å; H481-W492 PolarHBondContact O-NE1 3.07Å
482V98.7Very high97.6Very high2 Ų219 Ų191%0.0129%0.088CC..  trans-62.9156.1-173.6-61.60000113.2V480 G485 W492 T504 D507 Y508V480-V482 HydrophobicContact CB-CG1 4.01Å; V480-V482 HydrophobicContact CG1-CG1 3.42Å; V480-V482 VanDerWaalsContact CG1-CG1 3.42Å; V480-V482 PolarHBondContact O-N 3.1Å; V482-G485 PolarHBondContact O-N 3.02Å; V482-W492 PolarHBondContact O-NE1 2.82Å; V482-W492 VanDerWaalsContact O-NE1 3.17Å; V482-T504 HydrophobicContact CB-CG2 4.48Å; V482-T504 HydrophobicContact CG2-CG2 3.74Å; V482-D507 HydrophobicContact CB-CB 3.81Å; V482-D507 HydrophobicContact CG1-CB 3.66Å; V482-Y508 HydrophobicContact CG1-CD2 4.37Å
483R98.8Very high97.6Very high8 Ų817.1 Ų17.13%0.038%0.078CC..THydrogen-bonded Turntrans-54.5146.3170-76.8173.8-78.2-174.9-6111.8D425 G485 W492 D495 N503 T504 D507D425-R483 VanDerWaalsContact CG-NH2 3.32Å; D425-R483 IonicContact OD1-CZ 2.71Å; D425-R483 IonicContact OD1-NH1 2.69Å; D425-R483 IonicContact OD1-NH2 3.31Å; D425-R483 PolarHBondContact OD1-NH2 3.01Å; D425-R483 IonicContact OD2-CZ 2.77Å; D425-R483 VanDerWaalsContact OD2-CZ 3.28Å; D425-R483 IonicContact OD2-NH1 3.05Å; D425-R483 PolarHBondContact OD2-NH1 2.73Å; D425-R483 IonicContact OD2-NH2 2.98Å; D425-R483 PolarHBondContact OD2-NH2 2.63Å; R483-G485 VanDerWaalsContact C-N 3.35Å; R483-W492 HydrophobicContact CG-CD2 3.64Å; R483-W492 HydrophobicContact CG-CE3 3.62Å; R483-W492 HydrophobicContact CG-CG 4.43Å; R483-W492 HydrophobicContact CG-CH2 3.63Å; R483-W492 HydrophobicContact CG-CZ2 3.63Å; R483-W492 HydrophobicContact CG-CZ3 3.63Å; R483-D495 HydrophobicContact CG-CB 4.37Å; R483-N503 HydrophobicContact CB-CB 4.19Å; R483-N503 PolarHBondContact NH1-ND2 3.04Å; R483-T504 WeakPolarHBondContact O-CA 3.48Å; R483-T504 WeakPolarHBondContact O-CB 3.39Å; R483-T504 PolarHBondContact O-OG1 3.21Å; R483-D507 VanDerWaalsContact CB-OD2 3.25Å; R483-D507 WeakPolarHBondContact CB-OD2 3.49Å; R483-D507 VanDerWaalsContact CG-OD2 3.24Å; R483-D507 WeakPolarHBondContact CG-OD2 3.39Å; R483-D507 IonicContact CZ-OD1 3.88Å; R483-D507 IonicContact CZ-OD2 3.55Å; R483-D507 PolarHBondContact N-OD2 2.77Å; R483-D507 IonicContact NE-OD1 3.59Å; R483-D507 PolarHBondContact NE-OD1 2.75Å; R483-D507 IonicContact NE-OD2 3.36Å; R483-D507 PolarHBondContact NE-OD2 2.95Å; R483-D507 IonicContact NH2-OD1 2.68Å; R483-D507 PolarHBondContact NH2-OD1 3.26Å; R483-D507 IonicContact NH2-OD2 3.52Å
484G98.3Very high97.5Very high0 Ų015 Ų150%07%0.071CC..THydrogen-bonded Turntrans96.5-18.3-169.400000113G453 S454 G456 W492 Y493G453-G484 CarbonylContact C-O 3.54Å; G453-G484 CarbonylContact O-C 3.57Å; G453-G484 WeakPolarHBondContact O-CA 3.28Å; S454-G484 CarbonylContact C-O 3.33Å; S454-G484 VanDerWaalsContact CA-O 3.25Å; S454-G484 WeakPolarHBondContact CA-O 3.4Å; S454-G484 PolarHBondContact N-O 2.74Å; G456-G484 PolarHBondContact N-O 2.76Å; G484-W492 PolarHBondContact N-O 3.15Å; G484-Y493 WeakPolarHBondContact O-CD2 3.32Å
485G97.7Very high97.5Very high0 Ų016.4 Ų16.40%08%0.077CC..SBendtrans-81.2-178.7161.700000112.4A457 V482 R483 E487 W492 Y493A457-G485 WeakPolarHBondContact O-CA 3.46Å; V482-G485 PolarHBondContact O-N 3.02Å; R483-G485 VanDerWaalsContact C-N 3.35Å; G485-E487 WeakPolarHBondContact CA-OE2 3.33Å; G485-W492 CarbonylContact O-C 3.55Å; G485-Y493 VanDerWaalsContact O-CA 3.3Å; G485-Y493 WeakPolarHBondContact O-CA 3.36Å; G485-Y493 WeakPolarHBondContact O-CB 3.48Å; G485-Y493 PolarHBondContact O-N 3.33Å; G485-Y493 VanDerWaalsContact O-N 3.15Å
486G96.1Very high97.5Very high2 Ų214.5 Ų14.52%0.0217%0.069CC..SBendtrans-102.93.6-177.300000114.5R333 G456 S458 L488 G489R333-G486 VanDerWaalsContact CD-O 3.28Å; R333-G486 WeakPolarHBondContact CD-O 3.33Å; G456-G486 WeakPolarHBondContact O-CA 3.46Å; G456-G486 PolarHBondContact O-N 3.26Å; G456-G486 VanDerWaalsContact O-N 3.11Å; S458-G486 VanDerWaalsContact OG-C 3.24Å; S458-G486 WeakPolarHBondContact OG-CA 3.47Å; G486-L488 PolarHBondContact O-N 3.13Å; G486-L488 VanDerWaalsContact O-N 3.07Å; G486-G489 PolarHBondContact O-N 3.31Å
487E96.9Very high97.5Very high5 Ų514.6 Ų14.62%0.0237%0.07CC..THydrogen-bonded Turntrans-61.2-29.2-163.8-72.492.3157.900114.3R333 G336 S458 I459 H481 G485R333-E487 VanDerWaalsContact CD-O 3.27Å; R333-E487 WeakPolarHBondContact CD-O 3.45Å; R333-E487 WeakPolarHBondContact CG-O 3.31Å; G336-E487 WeakPolarHBondContact CA-O 3.46Å; G336-E487 PolarHBondContact N-O 3.3Å; G336-E487 VanDerWaalsContact N-O 3.09Å; S458-E487 PolarHBondContact OG-N 3.42Å; I459-E487 PolarHBondContact N-OE1 3.31Å; H481-E487 HydrophobicContact CB-CB 3.98Å; H481-E487 HydrophobicContact CB-CG 3.67Å; H481-E487 IonicContact CG-OE1 3.63Å; H481-E487 IonicContact ND1-OE1 3.58Å; H481-E487 PolarHBondContact ND1-OE1 3.47Å; G485-E487 WeakPolarHBondContact CA-OE2 3.33Å
488L96.8Very high97.4Very high47 Ų4716 Ų1625%0.2468%0.076CC..THydrogen-bonded Turntrans-113.623.9176.1-55.1-179.3000113W420 P430 G486 W492W420-L488 HydrophobicContact CH2-CD1 4.32Å; W420-L488 HydrophobicContact CH2-CD2 3.72Å; W420-L488 HydrophobicContact CZ3-CD1 3.99Å; W420-L488 HydrophobicContact CZ3-CD2 4.23Å; P430-L488 HydrophobicContact CG-CD1 4.31Å; P430-L488 HydrophobicContact CG-CD2 4.29Å; P430-L488 HydrophobicContact CG-CG 4.31Å; G486-L488 PolarHBondContact O-N 3.13Å; G486-L488 VanDerWaalsContact O-N 3.07Å; L488-W492 HydrophobicContact CB-CB 3.91Å; L488-W492 HydrophobicContact CB-CD2 3.94Å; L488-W492 HydrophobicContact CB-CE3 4.1Å; L488-W492 HydrophobicContact CB-CG 3.86Å; L488-W492 HydrophobicContact CD1-CD2 3.93Å; L488-W492 HydrophobicContact CD1-CE3 3.74Å; L488-W492 HydrophobicContact CD1-CH2 3.94Å; L488-W492 HydrophobicContact CD1-CZ2 4.14Å; L488-W492 HydrophobicContact CD1-CZ3 3.73Å; L488-W492 HydrophobicContact CG-CD2 4.11Å; L488-W492 HydrophobicContact CG-CE3 4.33Å; L488-W492 HydrophobicContact CG-CG 4.35Å
489G95.4Very high97.4Very high1 Ų118.8 Ų18.81%0.019%0.091CC..  trans90.2-174.4178.100000114G486 Q491 W492G486-G489 PolarHBondContact O-N 3.31Å; G489-Q491 VanDerWaalsContact C-N 3.26Å; G489-Q491 PolarHBondContact O-N 3.19Å; G489-W492 WeakPolarHBondContact O-CB 3.05Å; G489-W492 PolarHBondContact O-N 2.92Å
490Q94.6Very high97.4Very high24 Ų2423.2 Ų23.211%0.11211%0.11CC..Hα-helixtrans-61.5-32.9-172.3-176.367.717.300112.7K291 N292 W492 Y493 E494K291-Q490 HydrophobicContact CB-CB 3.82Å; K291-Q490 HydrophobicContact CB-CG 3.82Å; K291-Q490 HydrophobicContact CD-CG 4.4Å; K291-Q490 HydrophobicContact CG-CG 4.46Å; K291-Q490 WeakPolarHBondContact O-CB 3.28Å; N292-Q490 PolarHBondContact OD1-N 2.74Å; Q490-W492 VanDerWaalsContact C-N 3.26Å; Q490-W492 PolarHBondContact O-N 3.01Å; Q490-Y493 WeakPolarHBondContact O-CB 3.03Å; Q490-Y493 PolarHBondContact O-N 2.56Å; Q490-E494 HydrophobicContact CG-CG 4.31Å; Q490-E494 PolarHBondContact NE2-OE1 3.29Å; Q490-E494 VanDerWaalsContact O-CG 3.27Å; Q490-E494 WeakPolarHBondContact O-CG 3.16Å; Q490-E494 PolarHBondContact O-N 3.27Å
491Q95.6Very high97.4Very high75 Ų7523 Ų2335%0.3511%0.109SC..Hα-helixtrans-65.4-31.1177.4-17355.64600112.2G489 Y493 E494 D495G489-Q491 VanDerWaalsContact C-N 3.26Å; G489-Q491 PolarHBondContact O-N 3.19Å; Q491-Y493 VanDerWaalsContact C-N 3.31Å; Q491-Y493 PolarHBondContact O-N 2.81Å; Q491-E494 PolarHBondContact O-N 3.23Å; Q491-D495 PolarHBondContact NE2-OD1 2.77Å; Q491-D495 PolarHBondContact NE2-OD2 2.88Å; Q491-D495 WeakPolarHBondContact O-CB 3.49Å; Q491-D495 PolarHBondContact O-N 3.47Å
492W97.7Very high97.4Very high18 Ų1826.1 Ų26.17%0.06812%0.122CC..Hα-helixtrans-63.4-39.4174.7-161.4-118.5000112.3V427 V429 H481 V482 R483 G484 G485 L488 G489 Q490V427-W492 HydrophobicContact CG1-CH2 3.49Å; V427-W492 VanDerWaalsContact CG1-CH2 3.49Å; V427-W492 HydrophobicContact CG1-CZ3 3.34Å; V429-W492 HydrophobicContact CG1-CZ2 4.43Å; V429-W492 HydrophobicContact CG2-CH2 4.1Å; V429-W492 HydrophobicContact CG2-CZ2 4.25Å; H481-W492 WeakPolarHBondContact O-CZ2 3.08Å; H481-W492 PolarHBondContact O-NE1 3.07Å; V482-W492 PolarHBondContact O-NE1 2.82Å; V482-W492 VanDerWaalsContact O-NE1 3.17Å; R483-W492 HydrophobicContact CG-CD2 3.64Å; R483-W492 HydrophobicContact CG-CE3 3.62Å; R483-W492 HydrophobicContact CG-CG 4.43Å; R483-W492 HydrophobicContact CG-CH2 3.63Å; R483-W492 HydrophobicContact CG-CZ2 3.63Å; R483-W492 HydrophobicContact CG-CZ3 3.63Å; G484-W492 PolarHBondContact N-O 3.15Å; G485-W492 CarbonylContact O-C 3.55Å; L488-W492 HydrophobicContact CB-CB 3.91Å; L488-W492 HydrophobicContact CB-CD2 3.94Å; L488-W492 HydrophobicContact CB-CE3 4.1Å; L488-W492 HydrophobicContact CB-CG 3.86Å; L488-W492 HydrophobicContact CD1-CD2 3.93Å; L488-W492 HydrophobicContact CD1-CE3 3.74Å; L488-W492 HydrophobicContact CD1-CH2 3.94Å; L488-W492 HydrophobicContact CD1-CZ2 4.14Å; L488-W492 HydrophobicContact CD1-CZ3 3.73Å; L488-W492 HydrophobicContact CG-CD2 4.11Å; L488-W492 HydrophobicContact CG-CE3 4.33Å; L488-W492 HydrophobicContact CG-CG 4.35Å; G489-W492 WeakPolarHBondContact O-CB 3.05Å; G489-W492 PolarHBondContact O-N 2.92Å; Q490-W492 VanDerWaalsContact C-N 3.26Å; Q490-W492 PolarHBondContact O-N 3.01Å
493Y97.1Very high97.5Very high9 Ų927.5 Ų27.54%0.03513%0.13CC..Hα-helixtrans-67.8-50.5173.9169.6-145.6000111.4G456 G484 G485 Q490 Q491 D495 G496 K497 E579G456-Y493 VanDerWaalsContact CA-CG 3.5Å; G456-Y493 VanDerWaalsContact N-CE2 3.35Å; G484-Y493 WeakPolarHBondContact O-CD2 3.32Å; G485-Y493 VanDerWaalsContact O-CA 3.3Å; G485-Y493 WeakPolarHBondContact O-CA 3.36Å; G485-Y493 WeakPolarHBondContact O-CB 3.48Å; G485-Y493 PolarHBondContact O-N 3.33Å; G485-Y493 VanDerWaalsContact O-N 3.15Å; Q490-Y493 WeakPolarHBondContact O-CB 3.03Å; Q490-Y493 PolarHBondContact O-N 2.56Å; Q491-Y493 VanDerWaalsContact C-N 3.31Å; Q491-Y493 PolarHBondContact O-N 2.81Å; Y493-D495 PolarHBondContact O-N 3.2Å; Y493-G496 CarbonylContact O-C 3.57Å; Y493-G496 PolarHBondContact O-N 3.38Å; Y493-K497 HydrophobicContact CD2-CB 4.47Å; Y493-K497 HydrophobicContact CD2-CD 4.18Å; Y493-K497 HydrophobicContact CE1-CD 4.2Å; Y493-K497 HydrophobicContact CE2-CB 4.04Å; Y493-K497 HydrophobicContact CE2-CD 3.7Å; Y493-K497 HydrophobicContact CE2-CG 4.36Å; Y493-K497 PolarHBondContact O-N 3.22Å; Y493-K497 WeakPolarHBondContact OH-CE 3.26Å; Y493-K497 PolarHBondContact OH-NZ 3.47Å; Y493-E579 WeakPolarHBondContact CE2-OE2 3.48Å; Y493-E579 PolarHBondContact OH-OE2 3.19Å
494E96.2Very high97.5Very high47 Ų4727.1 Ų27.122%0.2213%0.128CC..Hα-helixtrans-58.4-31.9178.1-66.9-68.2164.600112.7K291 Q490 Q491 G496K291-E494 HydrophobicContact CD-CG 4.46Å; Q490-E494 HydrophobicContact CG-CG 4.31Å; Q490-E494 PolarHBondContact NE2-OE1 3.29Å; Q490-E494 VanDerWaalsContact O-CG 3.27Å; Q490-E494 WeakPolarHBondContact O-CG 3.16Å; Q490-E494 PolarHBondContact O-N 3.27Å; Q491-E494 PolarHBondContact O-N 3.23Å; E494-G496 PolarHBondContact O-N 2.9Å
495D98.2Very high97.5Very high37 Ų3727.1 Ų27.120%0.19813%0.128CC..THydrogen-bonded Turntrans-80.64.1176.1-74.7-28.7000114.5R483 Q491 Y493 K500 N503R483-D495 HydrophobicContact CG-CB 4.37Å; Q491-D495 PolarHBondContact NE2-OD1 2.77Å; Q491-D495 PolarHBondContact NE2-OD2 2.88Å; Q491-D495 WeakPolarHBondContact O-CB 3.49Å; Q491-D495 PolarHBondContact O-N 3.47Å; Y493-D495 PolarHBondContact O-N 3.2Å; D495-K500 HydrophobicContact CB-CD 4.46Å; D495-K500 WeakPolarHBondContact OD1-CD 3.45Å; D495-K500 IonicContact OD1-NZ 3.74Å; D495-K500 PolarHBondContact OD1-NZ 2.56Å; D495-N503 VanDerWaalsContact O-CB 3.26Å; D495-N503 WeakPolarHBondContact O-CB 3.36Å; D495-N503 PolarHBondContact O-ND2 3.01Å
496G98.5Very high97.5Very high0 Ų028.5 Ų28.50%014%0.136CC..THydrogen-bonded Turntrans-134.826.9173.800000114.2Y493 E494 K501 T504Y493-G496 CarbonylContact O-C 3.57Å; Y493-G496 PolarHBondContact O-N 3.38Å; E494-G496 PolarHBondContact O-N 2.9Å; G496-K501 WeakPolarHBondContact O-CD 3.48Å; G496-K501 PolarHBondContact O-NZ 3Å; G496-T504 PolarHBondContact O-OG1 3.17Å
497K97.4Very high97.7Very high2 Ų228.5 Ų28.51%0.00914%0.135CC..SBendtrans-130.1172.7174.372.8179.6-59.1-177.40112.1Y493 L499 K500 K501 E578 E579Y493-K497 HydrophobicContact CD2-CB 4.47Å; Y493-K497 HydrophobicContact CD2-CD 4.18Å; Y493-K497 HydrophobicContact CE1-CD 4.2Å; Y493-K497 HydrophobicContact CE2-CB 4.04Å; Y493-K497 HydrophobicContact CE2-CD 3.7Å; Y493-K497 HydrophobicContact CE2-CG 4.36Å; Y493-K497 PolarHBondContact O-N 3.22Å; Y493-K497 WeakPolarHBondContact OH-CE 3.26Å; Y493-K497 PolarHBondContact OH-NZ 3.47Å; K497-L499 PolarHBondContact O-N 3.36Å; K497-K500 WeakPolarHBondContact O-CA 3.37Å; K497-K500 WeakPolarHBondContact O-CB 3.35Å; K497-K500 PolarHBondContact O-N 3.37Å; K497-K501 PolarHBondContact O-N 3.06Å; K497-E578 WeakPolarHBondContact CE-O 3.45Å; K497-E578 PolarHBondContact NZ-O 3.04Å; K497-E579 IonicContact NZ-OE2 3.58Å
498F98Very high97.8Very high53 Ų5328.2 Ų28.223%0.23213%0.134CC..G310 helixtrans48.3-131.9-178.1-64.1-58.6000112.6K500 K501 F577 E578 E579 Y588 Y591F498-K500 PolarHBondContact O-N 3.08Å; F498-K501 WeakPolarHBondContact O-CB 3.39Å; F498-K501 PolarHBondContact O-N 2.87Å; F498-K501 VanDerWaalsContact O-N 3.1Å; F498-F577 VanDerWaalsContact CE1-O 3.32Å; F498-F577 WeakPolarHBondContact CE1-O 3.42Å; F498-E578 WeakPolarHBondContact CZ-O 3.39Å; F498-E579 PolarHBondContact N-O 2.91Å; F498-Y588 HydrophobicContact CB-CE1 4.04Å; F498-Y588 AromaticContact CD1-CE1 3.84Å; F498-Y588 HydrophobicContact CD1-CE1 3.84Å; F498-Y588 HydrophobicContact CG-CE1 4.35Å; F498-Y591 VanDerWaalsContact O-CE1 3.29Å; F498-Y591 WeakPolarHBondContact O-CE1 3.42Å
499L98.5Very high97.9Very high58 Ų5826 Ų2630%0.30412%0.122SC..G310 helixtrans-72.37.2178.4-55.9177.9000114.1K497 Q587 Y588 Y591K497-L499 PolarHBondContact O-N 3.36Å; L499-Q587 VanDerWaalsContact CD1-CD 3.44Å; L499-Q587 HydrophobicContact CD1-CG 4Å; L499-Q587 HydrophobicContact CD2-CG 4.13Å; L499-Y588 HydrophobicContact CD2-CD1 3.8Å; L499-Y588 HydrophobicContact CD2-CE1 3.88Å; L499-Y588 HydrophobicContact CG-CD1 4.32Å; L499-Y588 HydrophobicContact CG-CE1 3.87Å; L499-Y591 HydrophobicContact CB-CE2 4.45Å; L499-Y591 HydrophobicContact CD2-CD1 4.04Å; L499-Y591 HydrophobicContact CD2-CD2 3.98Å; L499-Y591 HydrophobicContact CD2-CG 3.61Å; L499-Y591 VanDerWaalsContact O-CE2 3.23Å; L499-Y591 WeakPolarHBondContact O-CE2 3.38Å; L499-Y591 PolarHBondContact O-OH 2.85Å
500K98.6Very high98Very high95 Ų9527.2 Ų27.241%0.41313%0.129SC..G310 helixtrans-111.91.8171.2-63.9-176.8177.7175.60112.8D495 K497 F498 K502 N503D495-K500 HydrophobicContact CB-CD 4.46Å; D495-K500 WeakPolarHBondContact OD1-CD 3.45Å; D495-K500 IonicContact OD1-NZ 3.74Å; D495-K500 PolarHBondContact OD1-NZ 2.56Å; K497-K500 WeakPolarHBondContact O-CA 3.37Å; K497-K500 WeakPolarHBondContact O-CB 3.35Å; K497-K500 PolarHBondContact O-N 3.37Å; F498-K500 PolarHBondContact O-N 3.08Å; K500-K502 PolarHBondContact O-N 3.39Å; K500-N503 VanDerWaalsContact O-CB 3.29Å; K500-N503 WeakPolarHBondContact O-CB 3.25Å; K500-N503 PolarHBondContact O-N 3.17Å
501K98.7Very high98.2Very high0 Ų026.1 Ų26.10%012%0.124CC..THydrogen-bonded Turntrans-54.5-29.5-174.9-174.855.2-177.8-175.50114.3G453 S454 G496 K497 F498 N503 T504 F505 M536 W580 Y591 Y595G453-K501 PolarHBondContact O-NZ 3.39Å; S454-K501 PolarHBondContact OG-NZ 3.31Å; G496-K501 WeakPolarHBondContact O-CD 3.48Å; G496-K501 PolarHBondContact O-NZ 3Å; K497-K501 PolarHBondContact O-N 3.06Å; F498-K501 WeakPolarHBondContact O-CB 3.39Å; F498-K501 PolarHBondContact O-N 2.87Å; F498-K501 VanDerWaalsContact O-N 3.1Å; K501-N503 PolarHBondContact O-N 2.98Å; K501-N503 VanDerWaalsContact O-N 3.12Å; K501-T504 PolarHBondContact NZ-OG1 3.24Å; K501-T504 WeakPolarHBondContact O-CB 3.3Å; K501-T504 PolarHBondContact O-N 3.45Å; K501-T504 VanDerWaalsContact O-N 3.11Å; K501-T504 PolarHBondContact O-OG1 3.3Å; K501-F505 HydrophobicContact CD-CZ 4.42Å; K501-F505 HydrophobicContact CG-CE2 4.08Å; K501-F505 HydrophobicContact CG-CZ 3.82Å; K501-M536 HydrophobicContact CD-CE 4.44Å; K501-M536 HydrophobicContact CG-CE 4.46Å; K501-W580 HydrophobicContact CD-CE3 4.21Å; K501-W580 HydrophobicContact CD-CZ3 3.82Å; K501-W580 HydrophobicContact CG-CE3 4.38Å; K501-W580 HydrophobicContact CG-CZ3 4.41Å; K501-Y591 HydrophobicContact CB-CE1 4.23Å; K501-Y591 PolarHBondContact N-OH 2.89Å; K501-Y595 HydrophobicContact CB-CE1 4.16Å; K501-Y595 HydrophobicContact CG-CE1 4.28Å; K501-Y595 HydrophobicContact CG-CE2 4.38Å
502K98.7Very high98.4Very high65 Ų6522.6 Ų22.628%0.28311%0.107SC..Hα-helixtrans-60.3-22176.7-71.6-176.3177.8-178.30114.6K500 T504 F505 N506 Y591 S594 Y595K500-K502 PolarHBondContact O-N 3.39Å; K502-T504 VanDerWaalsContact C-N 3.3Å; K502-T504 PolarHBondContact O-N 2.85Å; K502-F505 HydrophobicContact CB-CD2 4.41Å; K502-F505 HydrophobicContact CG-CD2 4.31Å; K502-F505 HydrophobicContact CG-CE2 4.47Å; K502-F505 PolarHBondContact O-N 2.68Å; K502-N506 PolarHBondContact O-N 2.58Å; K502-N506 PolarHBondContact O-ND2 2.77Å; K502-Y591 HydrophobicContact CD-CE2 4.42Å; K502-Y591 HydrophobicContact CG-CE1 4.4Å; K502-Y591 PolarHBondContact N-OH 3.23Å; K502-S594 WeakPolarHBondContact CE-OG 3.22Å; K502-S594 PolarHBondContact NZ-OG 2.87Å; K502-Y595 HydrophobicContact CG-CD1 4.4Å
503N98.8Very high98.4Very high32 Ų3224.5 Ų24.517%0.17112%0.118CC..Hα-helixtrans-60.7-38.9174.9-71.7-16.9000111.9R483 D495 K500 K501 F505 N506 D507R483-N503 HydrophobicContact CB-CB 4.19Å; R483-N503 PolarHBondContact NH1-ND2 3.04Å; D495-N503 VanDerWaalsContact O-CB 3.26Å; D495-N503 WeakPolarHBondContact O-CB 3.36Å; D495-N503 PolarHBondContact O-ND2 3.01Å; K500-N503 VanDerWaalsContact O-CB 3.29Å; K500-N503 WeakPolarHBondContact O-CB 3.25Å; K500-N503 PolarHBondContact O-N 3.17Å; K501-N503 PolarHBondContact O-N 2.98Å; K501-N503 VanDerWaalsContact O-N 3.12Å; N503-F505 VanDerWaalsContact C-N 3.28Å; N503-F505 PolarHBondContact O-N 3.41Å; N503-N506 PolarHBondContact O-N 3.04Å; N503-D507 WeakPolarHBondContact O-CB 3.47Å; N503-D507 PolarHBondContact O-N 2.94Å
504T98.9Very high98.5Very high0 Ų025.1 Ų25.10%013%0.126CC..Hα-helixtrans-53-46.4174.4-55.20000111.8G453 V482 R483 G496 K501 K502 Y508 L537G453-T504 WeakPolarHBondContact O-CG2 3.44Å; G453-T504 PolarHBondContact O-OG1 2.99Å; V482-T504 HydrophobicContact CB-CG2 4.48Å; V482-T504 HydrophobicContact CG2-CG2 3.74Å; R483-T504 WeakPolarHBondContact O-CA 3.48Å; R483-T504 WeakPolarHBondContact O-CB 3.39Å; R483-T504 PolarHBondContact O-OG1 3.21Å; G496-T504 PolarHBondContact O-OG1 3.17Å; K501-T504 PolarHBondContact NZ-OG1 3.24Å; K501-T504 WeakPolarHBondContact O-CB 3.3Å; K501-T504 PolarHBondContact O-N 3.45Å; K501-T504 VanDerWaalsContact O-N 3.11Å; K501-T504 PolarHBondContact O-OG1 3.3Å; K502-T504 VanDerWaalsContact C-N 3.3Å; K502-T504 PolarHBondContact O-N 2.85Å; T504-Y508 PolarHBondContact O-N 2.91Å; T504-L537 HydrophobicContact CG2-CD1 4.4Å
505F98.8Very high98.6Very high0 Ų022.9 Ų22.90%012%0.115CC..Hα-helixtrans-74.8-39.3-177.6-40.5-50.5000111.9K501 K502 N503 Y508 L509 M536 L537 V540 Y595K501-F505 HydrophobicContact CD-CZ 4.42Å; K501-F505 HydrophobicContact CG-CE2 4.08Å; K501-F505 HydrophobicContact CG-CZ 3.82Å; K502-F505 HydrophobicContact CB-CD2 4.41Å; K502-F505 HydrophobicContact CG-CD2 4.31Å; K502-F505 HydrophobicContact CG-CE2 4.47Å; K502-F505 PolarHBondContact O-N 2.68Å; N503-F505 VanDerWaalsContact C-N 3.28Å; N503-F505 PolarHBondContact O-N 3.41Å; F505-Y508 PolarHBondContact O-N 3.2Å; F505-L509 WeakPolarHBondContact O-CG 3.45Å; F505-L509 PolarHBondContact O-N 2.87Å; F505-L509 VanDerWaalsContact O-N 3.15Å; F505-M536 HydrophobicContact CE1-CE 4.2Å; F505-M536 HydrophobicContact CZ-CE 4.03Å; F505-M536 HydrophobicContact CZ-SD 4.48Å; F505-L537 HydrophobicContact CB-CD1 4.37Å; F505-L537 HydrophobicContact CD1-CB 4.29Å; F505-L537 HydrophobicContact CD1-CD1 3.67Å; F505-L537 HydrophobicContact CE1-CB 4.42Å; F505-V540 HydrophobicContact CB-CB 4.46Å; F505-V540 HydrophobicContact CB-CG1 3.95Å; F505-V540 HydrophobicContact CD1-CB 3.89Å; F505-V540 HydrophobicContact CD1-CG1 4.15Å; F505-V540 HydrophobicContact CD1-CG2 4.01Å; F505-V540 HydrophobicContact CD2-CB 4.2Å; F505-V540 HydrophobicContact CD2-CG1 3.65Å; F505-V540 HydrophobicContact CD2-CG2 4.2Å; F505-V540 HydrophobicContact CE1-CB 4.15Å; F505-V540 HydrophobicContact CE1-CG2 3.74Å; F505-V540 HydrophobicContact CE2-CB 4.46Å; F505-V540 HydrophobicContact CE2-CG1 4.19Å; F505-V540 HydrophobicContact CE2-CG2 3.96Å; F505-V540 HydrophobicContact CG-CB 3.92Å; F505-V540 HydrophobicContact CG-CG1 3.65Å; F505-V540 HydrophobicContact CG-CG2 4.25Å; F505-V540 HydrophobicContact CZ-CB 4.43Å; F505-V540 HydrophobicContact CZ-CG2 3.71Å; F505-Y595 HydrophobicContact CE2-CD1 4.24Å; F505-Y595 AromaticContact CE2-CD2 3.72Å; F505-Y595 HydrophobicContact CE2-CD2 3.72Å; F505-Y595 HydrophobicContact CE2-CE2 4.4Å; F505-Y595 AromaticContact CE2-CG 3.65Å; F505-Y595 HydrophobicContact CE2-CG 3.65Å; F505-Y595 AromaticContact CZ-CD2 3.74Å; F505-Y595 HydrophobicContact CZ-CD2 3.74Å; F505-Y595 HydrophobicContact CZ-CE2 4.17Å; F505-Y595 HydrophobicContact CZ-CG 4.17Å
506N98.8Very high98.6Very high29 Ų2922.2 Ų22.216%0.15511%0.111CC..Hα-helixtrans-64-48.2177.8-69.2-23.2000111.5R424 K502 N503 Y508 L509 D510R424-N506 PolarHBondContact NH1-OD1 3.46Å; K502-N506 PolarHBondContact O-N 2.58Å; K502-N506 PolarHBondContact O-ND2 2.77Å; N503-N506 PolarHBondContact O-N 3.04Å; N506-Y508 VanDerWaalsContact C-N 3.27Å; N506-Y508 PolarHBondContact O-N 3.28Å; N506-L509 PolarHBondContact O-N 2.79Å; N506-D510 WeakPolarHBondContact O-CB 3.46Å; N506-D510 PolarHBondContact O-N 3.3Å
507D98.9Very high98.6Very high1 Ų131.3 Ų31.31%0.00515%0.151CC..Hα-helixtrans-57.2-43178.2-70.6-8000111.1V429 V482 R483 N503 A511V429-D507 HydrophobicContact CG1-CB 4.35Å; V429-D507 HydrophobicContact CG2-CB 3.89Å; V482-D507 HydrophobicContact CB-CB 3.81Å; V482-D507 HydrophobicContact CG1-CB 3.66Å; R483-D507 VanDerWaalsContact CB-OD2 3.25Å; R483-D507 WeakPolarHBondContact CB-OD2 3.49Å; R483-D507 VanDerWaalsContact CG-OD2 3.24Å; R483-D507 WeakPolarHBondContact CG-OD2 3.39Å; R483-D507 IonicContact CZ-OD1 3.88Å; R483-D507 IonicContact CZ-OD2 3.55Å; R483-D507 PolarHBondContact N-OD2 2.77Å; R483-D507 IonicContact NE-OD1 3.59Å; R483-D507 PolarHBondContact NE-OD1 2.75Å; R483-D507 IonicContact NE-OD2 3.36Å; R483-D507 PolarHBondContact NE-OD2 2.95Å; R483-D507 IonicContact NH2-OD1 2.68Å; R483-D507 PolarHBondContact NH2-OD1 3.26Å; R483-D507 IonicContact NH2-OD2 3.52Å; N503-D507 WeakPolarHBondContact O-CB 3.47Å; N503-D507 PolarHBondContact O-N 2.94Å; D507-A511 WeakPolarHBondContact O-CB 3.48Å; D507-A511 PolarHBondContact O-N 3.34Å
508Y98.9Very high98.6Very high0 Ų035.4 Ų35.40%017%0.172CC..Hα-helixtrans-61.9-49.3178.9-171.6-98.2000112.4V449 V480 V482 T504 F505 N506 A511 C512 A528 L537 M538 A541 F549V449-Y508 HydrophobicContact CB-CE2 4.47Å; V449-Y508 WeakPolarHBondContact CB-OH 3.33Å; V449-Y508 HydrophobicContact CG1-CE2 3.73Å; V449-Y508 PolarHBondContact O-OH 3.22Å; V480-Y508 HydrophobicContact CB-CD2 4.24Å; V480-Y508 HydrophobicContact CG2-CD2 4.4Å; V482-Y508 HydrophobicContact CG1-CD2 4.37Å; T504-Y508 PolarHBondContact O-N 2.91Å; F505-Y508 PolarHBondContact O-N 3.2Å; N506-Y508 VanDerWaalsContact C-N 3.27Å; N506-Y508 PolarHBondContact O-N 3.28Å; Y508-A511 PolarHBondContact O-N 2.95Å; Y508-C512 PolarHBondContact O-N 3.27Å; Y508-C512 PolarHBondContact O-SG 2.64Å; Y508-A528 HydrophobicContact CE1-CB 4.36Å; Y508-A528 VanDerWaalsContact OH-CB 3.28Å; Y508-A528 WeakPolarHBondContact OH-CB 3.4Å; Y508-L537 HydrophobicContact CD1-CD1 4.21Å; Y508-L537 HydrophobicContact CD2-CD1 4.4Å; Y508-L537 HydrophobicContact CD2-CD2 3.74Å; Y508-L537 HydrophobicContact CD2-CG 4.41Å; Y508-L537 HydrophobicContact CE2-CD2 4.19Å; Y508-L537 HydrophobicContact CG-CD1 3.84Å; Y508-L537 HydrophobicContact CG-CD2 4.04Å; Y508-L537 HydrophobicContact CG-CG 4.25Å; Y508-M538 HydrophobicContact CE1-CE 3.86Å; Y508-M538 HydrophobicContact CE2-CE 4.07Å; Y508-A541 HydrophobicContact CD1-CB 4.41Å; Y508-F549 HydrophobicContact CE1-CE1 4.29Å; Y508-F549 AromaticContact CE1-CZ 3.95Å; Y508-F549 HydrophobicContact CE1-CZ 3.95Å
509L98.8Very high98.6Very high1 Ų133.2 Ų33.21%0.00517%0.165CC..Hα-helixtrans-66.3-42.5-179.9-69.2172.3000111.4F505 N506 A511 C512 D513 A541 Q544 R545 L548 F549F505-L509 WeakPolarHBondContact O-CG 3.45Å; F505-L509 PolarHBondContact O-N 2.87Å; F505-L509 VanDerWaalsContact O-N 3.15Å; N506-L509 PolarHBondContact O-N 2.79Å; L509-A511 VanDerWaalsContact C-N 3.33Å; L509-A511 PolarHBondContact O-N 3.3Å; L509-C512 WeakPolarHBondContact O-CB 3.19Å; L509-C512 PolarHBondContact O-N 3.01Å; L509-D513 PolarHBondContact O-N 2.83Å; L509-A541 HydrophobicContact CD2-CB 4.1Å; L509-Q544 HydrophobicContact CD1-CB 4.37Å; L509-R545 HydrophobicContact CD1-CG 3.91Å; L509-R545 HydrophobicContact CD2-CB 3.97Å; L509-R545 HydrophobicContact CD2-CG 4.09Å; L509-L548 HydrophobicContact CD2-CD2 3.83Å; L509-F549 HydrophobicContact CD2-CE2 4.17Å; L509-F549 HydrophobicContact CD2-CZ 4.1Å
510D98.8Very high98.6Very high26 Ų2631.7 Ų31.714%0.13916%0.155CC..Hα-helixtrans-63.9-39.8178.6-65.6-12.6000111R424 N506 A514R424-D510 VanDerWaalsContact CB-OD2 3.26Å; R424-D510 WeakPolarHBondContact CB-OD2 3.47Å; R424-D510 VanDerWaalsContact CG-OD2 3.28Å; R424-D510 WeakPolarHBondContact CG-OD2 3.27Å; R424-D510 IonicContact CZ-OD1 2.93Å; R424-D510 VanDerWaalsContact CZ-OD1 3.3Å; R424-D510 IonicContact CZ-OD2 3.76Å; R424-D510 PolarHBondContact N-OD2 3.22Å; R424-D510 IonicContact NE-OD1 3.93Å; R424-D510 PolarHBondContact NE-OD1 2.8Å; R424-D510 IonicContact NE-OD2 3.99Å; R424-D510 PolarHBondContact NE-OD2 2.93Å; R424-D510 IonicContact NH2-OD1 3.53Å; R424-D510 PolarHBondContact NH2-OD1 3.39Å; R424-D510 IonicContact NH2-OD2 2.8Å; N506-D510 WeakPolarHBondContact O-CB 3.46Å; N506-D510 PolarHBondContact O-N 3.3Å; D510-A514 WeakPolarHBondContact O-CB 3.37Å; D510-A514 PolarHBondContact O-N 2.86Å
511A98.7Very high98.6Very high1 Ų127.2 Ų27.21%0.00814%0.136CC..Hα-helixtrans-65.5-41.8173.800000112.9I421 V431 V480 D507 Y508 L509 A514 L515I421-A511 HydrophobicContact CD1-CB 4Å; V431-A511 HydrophobicContact CG2-CB 4.23Å; V480-A511 HydrophobicContact CB-CB 4.21Å; V480-A511 HydrophobicContact CG1-CB 3.38Å; V480-A511 HydrophobicContact CG2-CB 3.68Å; D507-A511 WeakPolarHBondContact O-CB 3.48Å; D507-A511 PolarHBondContact O-N 3.34Å; Y508-A511 PolarHBondContact O-N 2.95Å; L509-A511 VanDerWaalsContact C-N 3.33Å; L509-A511 PolarHBondContact O-N 3.3Å; A511-A514 PolarHBondContact O-N 3.47Å; A511-L515 WeakPolarHBondContact O-CB 3.3Å; A511-L515 VanDerWaalsContact O-CG 3.28Å; A511-L515 WeakPolarHBondContact O-CG 3.31Å; A511-L515 PolarHBondContact O-N 2.81Å
512C98.7Very high98.6Very high0 Ų028.1 Ų28.10%014%0.142CC..Hα-helixtrans-59.4-49.7174.8-69.80000111.4Y508 L509 A514 L515 L516 L548Y508-C512 PolarHBondContact O-N 3.27Å; Y508-C512 PolarHBondContact O-SG 2.64Å; L509-C512 WeakPolarHBondContact O-CB 3.19Å; L509-C512 PolarHBondContact O-N 3.01Å; C512-A514 VanDerWaalsContact C-N 3.31Å; C512-A514 PolarHBondContact O-N 3.36Å; C512-L515 PolarHBondContact O-N 2.77Å; C512-L516 WeakPolarHBondContact O-CG 3.37Å; C512-L516 PolarHBondContact O-N 3.33Å; C512-L516 VanDerWaalsContact O-N 3.09Å; C512-L548 HydrophobicContact CB-CD2 3.83Å
513D98.5Very high98.5Very high58 Ų5829.4 Ų29.431%0.3116%0.157SC..Hα-helixtrans-59.7-42.2178.5-80.1-29.3000111.1L509 K517 R545L509-D513 PolarHBondContact O-N 2.83Å; D513-K517 WeakPolarHBondContact O-CB 3.21Å; D513-K517 PolarHBondContact O-N 3.29Å; D513-R545 IonicContact OD1-NH2 3.71Å; D513-R545 IonicContact OD2-CZ 2.65Å; D513-R545 IonicContact OD2-NH1 2.63Å; D513-R545 PolarHBondContact OD2-NH1 2.91Å; D513-R545 IonicContact OD2-NH2 3.33Å
514A98.6Very high98.4Very high23 Ų2331.6 Ų31.619%0.1918%0.175CC..Hα-helixtrans-67.6-42.9177.800000113.4I421 D510 A511 C512 L516 K517 L518I421-A514 HydrophobicContact CB-CB 4.48Å; I421-A514 HydrophobicContact CD1-CB 3.93Å; I421-A514 HydrophobicContact CG1-CB 4.31Å; I421-A514 HydrophobicContact CG2-CB 3.41Å; I421-A514 VanDerWaalsContact CG2-CB 3.41Å; D510-A514 WeakPolarHBondContact O-CB 3.37Å; D510-A514 PolarHBondContact O-N 2.86Å; A511-A514 PolarHBondContact O-N 3.47Å; C512-A514 VanDerWaalsContact C-N 3.31Å; C512-A514 PolarHBondContact O-N 3.36Å; A514-L516 VanDerWaalsContact C-N 3.33Å; A514-L516 PolarHBondContact O-N 3.23Å; A514-K517 PolarHBondContact O-N 3.37Å; A514-L518 WeakPolarHBondContact O-CB 3.3Å; A514-L518 VanDerWaalsContact O-CG 3.26Å; A514-L518 WeakPolarHBondContact O-CG 3.22Å; A514-L518 PolarHBondContact O-N 3.01Å
515L98.7Very high98.4Very high0 Ų034.1 Ų34.10%019%0.188CC..Hα-helixtrans-60.9-41.7176.5-75.3170.8000111.9L419 I421 V431 L433 L447 V449 A478 A511 C512 L518 G519 Y520L419-L515 HydrophobicContact CD1-CD2 4.09Å; I421-L515 HydrophobicContact CD1-CD2 4.41Å; I421-L515 HydrophobicContact CD1-CG 4.14Å; V431-L515 HydrophobicContact CG1-CD1 4.21Å; V431-L515 HydrophobicContact CG1-CD2 4.22Å; L433-L515 HydrophobicContact CD2-CD2 3.91Å; L447-L515 HydrophobicContact CD2-CB 4Å; L447-L515 HydrophobicContact CD2-CD1 4.43Å; V449-L515 HydrophobicContact CG2-CD1 4.39Å; A478-L515 HydrophobicContact CB-CD1 3.78Å; A511-L515 WeakPolarHBondContact O-CB 3.3Å; A511-L515 VanDerWaalsContact O-CG 3.28Å; A511-L515 WeakPolarHBondContact O-CG 3.31Å; A511-L515 PolarHBondContact O-N 2.81Å; C512-L515 PolarHBondContact O-N 2.77Å; L515-L518 PolarHBondContact O-N 2.91Å; L515-G519 PolarHBondContact O-N 2.85Å; L515-Y520 HydrophobicContact CD2-CD2 3.81Å; L515-Y520 HydrophobicContact CD2-CE2 4.41Å; L515-Y520 HydrophobicContact CD2-CG 4.31Å; L515-Y520 PolarHBondContact O-N 2.79Å
516L98.6Very high98.4Very high22 Ų2234.1 Ų34.112%0.11519%0.188CC..Hα-helixtrans-64.4-45.3174.1-68.9175.8000111.3L447 C512 A514 L518 G519 C526 L548L447-L516 HydrophobicContact CD2-CD2 4.11Å; L447-L516 HydrophobicContact CD2-CG 4.49Å; C512-L516 WeakPolarHBondContact O-CG 3.37Å; C512-L516 PolarHBondContact O-N 3.33Å; C512-L516 VanDerWaalsContact O-N 3.09Å; A514-L516 VanDerWaalsContact C-N 3.33Å; A514-L516 PolarHBondContact O-N 3.23Å; L516-L518 VanDerWaalsContact C-N 3.32Å; L516-L518 PolarHBondContact O-N 2.79Å; L516-G519 WeakPolarHBondContact O-CA 3.48Å; L516-G519 PolarHBondContact O-N 3.09Å; L516-C526 HydrophobicContact CD1-CB 4.36Å; L516-C526 HydrophobicContact CD2-CB 4.32Å; L516-L548 HydrophobicContact CD1-CD1 3.67Å
517K98.1Very high98.4Very high192 Ų19235.6 Ų35.684%0.83519%0.192SC*.Hα-helixtrans-61.6-37.6176.6-176.7-179.1178.3-177.30112.9D513 A514 G519D513-K517 WeakPolarHBondContact O-CB 3.21Å; D513-K517 PolarHBondContact O-N 3.29Å; A514-K517 PolarHBondContact O-N 3.37Å; K517-G519 PolarHBondContact O-N 2.87Å
518L98.3Very high98.4Very high87 Ų8735.6 Ų35.646%0.45519%0.192SC..Hα-helixtrans-72.4-12.7175.3-70.9170.4000112.5L419 K442 A514 L515 L516 Y520L419-L518 HydrophobicContact CD1-CD1 4.4Å; K442-L518 WeakPolarHBondContact CE-O 3.12Å; A514-L518 WeakPolarHBondContact O-CB 3.3Å; A514-L518 VanDerWaalsContact O-CG 3.26Å; A514-L518 WeakPolarHBondContact O-CG 3.22Å; A514-L518 PolarHBondContact O-N 3.01Å; L515-L518 PolarHBondContact O-N 2.91Å; L516-L518 VanDerWaalsContact C-N 3.32Å; L516-L518 PolarHBondContact O-N 2.79Å; L518-Y520 HydrophobicContact CB-CD2 3.72Å; L518-Y520 HydrophobicContact CB-CE2 3.73Å; L518-Y520 HydrophobicContact CD1-CE2 4.08Å
519G98.3Very high98.4Very high7 Ų737.2 Ų37.27%0.07220%0.2CC..THydrogen-bonded Turntrans83.127.2176.500000113.6K442 G443 L515 L516 K517K442-G519 CarbonylContact C-O 3.51Å; K442-G519 VanDerWaalsContact CA-O 3.28Å; K442-G519 WeakPolarHBondContact CA-O 3.26Å; K442-G519 WeakPolarHBondContact CG-O 3.34Å; G443-G519 PolarHBondContact N-O 3.49Å; L515-G519 PolarHBondContact O-N 2.85Å; L516-G519 WeakPolarHBondContact O-CA 3.48Å; L516-G519 PolarHBondContact O-N 3.09Å; K517-G519 PolarHBondContact O-N 2.87Å
520Y98.4Very high98.4Very high27 Ų2737.2 Ų37.211%0.10620%0.2CC..SBendtrans-76-27.6171.5-71.9-78.6000112.3E417 L419 L433 Y435 F440 V476 L515 L518E417-Y520 PolarHBondContact OE2-OH 2.84Å; L419-Y520 HydrophobicContact CD1-CD2 4.36Å; L419-Y520 HydrophobicContact CD1-CE2 3.55Å; L433-Y520 HydrophobicContact CD1-CD1 4.08Å; L433-Y520 HydrophobicContact CD1-CE1 3.85Å; L433-Y520 HydrophobicContact CD2-CD1 3.74Å; L433-Y520 HydrophobicContact CD2-CD2 4.2Å; L433-Y520 HydrophobicContact CD2-CE1 3.65Å; L433-Y520 HydrophobicContact CD2-CE2 4.12Å; L433-Y520 HydrophobicContact CD2-CG 4.03Å; L433-Y520 HydrophobicContact CG-CE1 4.44Å; Y435-Y520 HydrophobicContact CE1-CE1 4.4Å; F440-Y520 HydrophobicContact CE2-CD1 4.13Å; F440-Y520 HydrophobicContact CZ-CD1 4.15Å; V476-Y520 WeakPolarHBondContact CG2-O 3.28Å; L515-Y520 HydrophobicContact CD2-CD2 3.81Å; L515-Y520 HydrophobicContact CD2-CE2 4.41Å; L515-Y520 HydrophobicContact CD2-CG 4.31Å; L515-Y520 PolarHBondContact O-N 2.79Å; L518-Y520 HydrophobicContact CB-CD2 3.72Å; L518-Y520 HydrophobicContact CB-CE2 3.73Å; L518-Y520 HydrophobicContact CD1-CE2 4.08Å
521G98.3Very high98.1Very high0 Ų036.4 Ų36.40%020%0.198CC..SBendtrans-132.4163.1178.800000113.2N445N445-G521 CarbonylContact O-C 3.42Å; N445-G521 VanDerWaalsContact O-CA 3.3Å; N445-G521 WeakPolarHBondContact O-CA 3.41Å
522S98.1Very high97.9Very high20 Ų2037.7 Ų37.714%0.1421%0.207CC..  trans-84.5131.6166.2-171.70000110.1G443 N445 S524 L525 C526G443-S522 WeakPolarHBondContact O-CA 3.42Å; G443-S522 WeakPolarHBondContact O-CB 3.24Å; N445-S522 PolarHBondContact O-N 2.89Å; S522-S524 PolarHBondContact O-N 2.86Å; S522-S524 VanDerWaalsContact O-N 3.1Å; S522-S524 PolarHBondContact OG-OG 3.34Å; S522-L525 CarbonylContact O-C 3.52Å; S522-L525 PolarHBondContact O-N 2.92Å; S522-C526 PolarHBondContact O-N 3Å
523P96.6Very high97.8Very high91 Ų9137.7 Ų37.759%0.59121%0.207SC*.G310 helixtrans-57-25.4177.2-27.835.6000114.6
524S97.4Very high97.7Very high78 Ų7834.9 Ų34.955%0.54519%0.192SC..G310 helixtrans-85-6.5176.857.40000114.3S522S522-S524 PolarHBondContact O-N 2.86Å; S522-S524 VanDerWaalsContact O-N 3.1Å; S522-S524 PolarHBondContact OG-OG 3.34Å
525L98.1Very high97.6Very high54 Ų5433.8 Ų33.828%0.28318%0.183SC..G310 helixtrans-133.137.9-175.4-58.7173.9000111.3P446 L447 S522 Y527P446-L525 WeakPolarHBondContact CA-O 3.46Å; P446-L525 HydrophobicContact CB-CB 4.28Å; P446-L525 HydrophobicContact CG-CD1 4.26Å; L447-L525 PolarHBondContact N-O 3.06Å; S522-L525 CarbonylContact O-C 3.52Å; S522-L525 PolarHBondContact O-N 2.92Å; L525-Y527 HydrophobicContact CB-CE2 4.22Å; L525-Y527 VanDerWaalsContact O-CD2 3.28Å; L525-Y527 WeakPolarHBondContact O-CD2 3.35Å; L525-Y527 WeakPolarHBondContact O-CE2 3.48Å
526C98.7Very high97.5Very high0 Ų033.8 Ų33.80%018%0.183CC..EExtended strand (participates in β ladder)trans-87.7126.8172.1-171.50000110L447 L516 S522 L548 F549 H550L447-C526 CarbonylContact O-C 3.58Å; L516-C526 HydrophobicContact CD1-CB 4.36Å; L516-C526 HydrophobicContact CD2-CB 4.32Å; S522-C526 PolarHBondContact O-N 3Å; C526-L548 WeakPolarHBondContact CB-O 3.34Å; C526-F549 CarbonylContact O-C 3.47Å; C526-F549 WeakPolarHBondContact O-CA 3.38Å; C526-H550 PolarHBondContact O-N 2.82Å
527Y98.8Very high97.5Very high60 Ų6032.8 Ų32.824%0.23518%0.177CC..EExtended strand (participates in β ladder)trans-122.8148.7179.7-60.6-96.7000110P446 L447 L448 V449 F475 L525 H550 G551P446-Y527 HydrophobicContact CB-CE2 4.25Å; L447-Y527 PolarHBondContact O-N 2.67Å; L448-Y527 WeakPolarHBondContact CA-O 3.47Å; V449-Y527 PolarHBondContact N-O 2.89Å; F475-Y527 AromaticContact CE1-CD2 3.79Å; F475-Y527 HydrophobicContact CE1-CD2 3.79Å; F475-Y527 AromaticContact CE1-CE2 3.99Å; F475-Y527 HydrophobicContact CE1-CE2 3.99Å; F475-Y527 HydrophobicContact CE1-CG 4.46Å; F475-Y527 HydrophobicContact CZ-CD2 4.35Å; F475-Y527 HydrophobicContact CZ-CE2 4.1Å; L525-Y527 HydrophobicContact CB-CE2 4.22Å; L525-Y527 VanDerWaalsContact O-CD2 3.28Å; L525-Y527 WeakPolarHBondContact O-CD2 3.35Å; L525-Y527 WeakPolarHBondContact O-CE2 3.48Å; Y527-H550 HydrophobicContact CE1-CB 4.38Å; Y527-H550 AromaticContact CE1-CD2 3.54Å; Y527-H550 AromaticContact CZ-CD2 3.54Å; Y527-H550 PolarHBondContact OH-CD2 2.92Å; Y527-G551 WeakPolarHBondContact CA-O 3.39Å
528A98.8Very high97.5Very high1 Ų123.7 Ų23.71%0.00814%0.138CC..EExtended strand (participates in β ladder)trans-124149.8178.800000112V449 Y508 M538 F549 G551 V552 I553V449-A528 CarbonylContact O-C 3.48Å; V449-A528 WeakPolarHBondContact O-CA 3.18Å; Y508-A528 HydrophobicContact CE1-CB 4.36Å; Y508-A528 VanDerWaalsContact OH-CB 3.28Å; Y508-A528 WeakPolarHBondContact OH-CB 3.4Å; A528-M538 HydrophobicContact CB-CE 4.39Å; A528-M538 HydrophobicContact CB-SD 3.57Å; A528-M538 VanDerWaalsContact CB-SD 3.57Å; A528-F549 HydrophobicContact CB-CD1 3.71Å; A528-F549 HydrophobicContact CB-CE1 3.69Å; A528-F549 HydrophobicContact CB-CG 4.32Å; A528-F549 HydrophobicContact CB-CZ 4.26Å; A528-G551 PolarHBondContact N-O 3.12Å; A528-V552 HydrophobicContact CB-CG1 4.28Å; A528-V552 HydrophobicContact CB-CG2 4.01Å; A528-V552 CarbonylContact O-C 3.59Å; A528-V552 VanDerWaalsContact O-CA 3.32Å; A528-V552 WeakPolarHBondContact O-CA 3.43Å; A528-I553 PolarHBondContact O-N 2.8Å
529M98.7Very high97.5Very high34 Ų3419.8 Ų19.817%0.16712%0.119CC..EExtended strand (participates in β ladder)trans-146.3140.8177.5-178.5176.9177.700112.1L448 V449 Y450 G451 M538 I553 Q555L448-M529 HydrophobicContact CD1-CB 3.99Å; L448-M529 HydrophobicContact CD2-SD 4.46Å; V449-M529 PolarHBondContact O-N 2.84Å; Y450-M529 WeakPolarHBondContact CA-O 3.48Å; Y450-M529 HydrophobicContact CD2-CB 4.11Å; Y450-M529 HydrophobicContact CD2-CG 3.86Å; Y450-M529 WeakPolarHBondContact CD2-O 3.27Å; Y450-M529 HydrophobicContact CD2-SD 4.27Å; Y450-M529 HydrophobicContact CE2-CG 4.2Å; G451-M529 PolarHBondContact N-O 3.06Å; M529-M538 PolarHBondContact N-SD 3.24Å; M529-M538 VanDerWaalsContact N-SD 3.39Å; M529-I553 WeakPolarHBondContact CA-O 3.24Å; M529-I553 HydrophobicContact CB-CB 4.31Å; M529-I553 HydrophobicContact CG-CB 4.06Å; M529-I553 HydrophobicContact CG-CG2 4.33Å; M529-I553 HydrophobicContact SD-CD1 4.48Å; M529-Q555 HydrophobicContact CE-CG 4.45Å; M529-Q555 VanDerWaalsContact CE-OE1 3.27Å
530G98.2Very high97.5Very high0 Ų019.5 Ų19.50%012%0.116CC..EExtended strand (participates in β ladder)trans-165.6147.2173.700000111.5I553 Q555G530-I553 PolarHBondContact N-O 3.06Å; G530-I553 VanDerWaalsContact N-O 3.14Å; G530-Q555 PolarHBondContact O-N 2.81Å
531G94.4Very high97.6Very high9 Ų918.3 Ų18.39%0.09311%0.111CC..EExtended strand (participates in β ladder)trans-120.8148.5-177.600000113.6Y452 A533 G534 G535 Q555Y452-G531 WeakPolarHBondContact CD2-O 3.35Å; Y452-G531 WeakPolarHBondContact CE2-O 3.22Å; G531-A533 PolarHBondContact O-N 3.06Å; G531-G534 VanDerWaalsContact O-CA 3.32Å; G531-G534 WeakPolarHBondContact O-CA 3.45Å; G531-G534 PolarHBondContact O-N 3.43Å; G531-G535 PolarHBondContact O-N 3.05Å; G531-Q555 CarbonylContact C-O 3.4Å; G531-Q555 WeakPolarHBondContact CA-O 3.22Å
532S93.8Very high97.6Very high28 Ų2819 Ų1920%0.19612%0.115CC..THydrogen-bonded Turntrans54.9-115.8-179.6-175.60000111.4G534 G535 M536 Q555 V556 F558S532-G534 VanDerWaalsContact C-N 3.29Å; S532-G534 PolarHBondContact O-N 3.25Å; S532-G535 VanDerWaalsContact O-CA 3.24Å; S532-G535 WeakPolarHBondContact O-CA 3.28Å; S532-G535 PolarHBondContact O-N 3.19Å; S532-M536 PolarHBondContact O-N 2.91Å; S532-Q555 PolarHBondContact N-O 3.41Å; S532-V556 WeakPolarHBondContact CA-O 3.45Å; S532-F558 PolarHBondContact O-N 3.09Å
533A95.4Very high97.6Very high0 Ų019 Ų190%011%0.113CC..Hα-helixtrans-64.2-29.7171.900000113.6Y452 S454 Y455 G531 G535 M536 L537 W580Y452-A533 HydrophobicContact CE2-CB 3.99Å; S454-A533 WeakPolarHBondContact OG-CB 3.38Å; Y455-A533 HydrophobicContact CE2-CB 3.67Å; G531-A533 PolarHBondContact O-N 3.06Å; A533-G535 PolarHBondContact O-N 2.57Å; A533-M536 WeakPolarHBondContact O-CB 3.28Å; A533-M536 PolarHBondContact O-N 3.28Å; A533-M536 VanDerWaalsContact O-N 3.09Å; A533-L537 PolarHBondContact O-N 2.89Å; A533-W580 HydrophobicContact CB-CH2 4.07Å; A533-W580 HydrophobicContact CB-CZ2 4.28Å
534G97.6Very high97.6Very high0 Ų018.4 Ų18.40%010%0.103CC..Hα-helixtrans-65.2-22.8166.900000112.9G531 S532 L537 M538G531-G534 VanDerWaalsContact O-CA 3.32Å; G531-G534 WeakPolarHBondContact O-CA 3.45Å; G531-G534 PolarHBondContact O-N 3.43Å; S532-G534 VanDerWaalsContact C-N 3.29Å; S532-G534 PolarHBondContact O-N 3.25Å; G534-L537 WeakPolarHBondContact O-CB 3.45Å; G534-L537 PolarHBondContact O-N 3.38Å; G534-M538 WeakPolarHBondContact O-CG 3.26Å; G534-M538 PolarHBondContact O-N 2.98Å; G534-M538 VanDerWaalsContact O-N 3.07Å
535G96.4Very high97.7Very high0 Ų018.1 Ų18.10%09%0.09CC..Hα-helixtrans-69.9-33.3169.800000113.7G531 S532 A533 L537 M538 G539 P557G531-G535 PolarHBondContact O-N 3.05Å; S532-G535 VanDerWaalsContact O-CA 3.24Å; S532-G535 WeakPolarHBondContact O-CA 3.28Å; S532-G535 PolarHBondContact O-N 3.19Å; A533-G535 PolarHBondContact O-N 2.57Å; G535-L537 VanDerWaalsContact C-N 3.34Å; G535-M538 WeakPolarHBondContact O-CB 3.28Å; G535-M538 PolarHBondContact O-N 3.2Å; G535-G539 PolarHBondContact O-N 3.03Å; G535-P557 VanDerWaalsContact C-CB 3.46Å
536M97.1Very high97.7Very high0 Ų016.2 Ų16.20%08%0.08CC..Hα-helixtrans-59.4-48.5168.2-171.917753.500110.2K501 F505 S532 A533 M538 G539 V540 F558 V561 W580 Y595 P597K501-M536 HydrophobicContact CD-CE 4.44Å; K501-M536 HydrophobicContact CG-CE 4.46Å; F505-M536 HydrophobicContact CE1-CE 4.2Å; F505-M536 HydrophobicContact CZ-CE 4.03Å; F505-M536 HydrophobicContact CZ-SD 4.48Å; S532-M536 PolarHBondContact O-N 2.91Å; A533-M536 WeakPolarHBondContact O-CB 3.28Å; A533-M536 PolarHBondContact O-N 3.28Å; A533-M536 VanDerWaalsContact O-N 3.09Å; M536-M538 VanDerWaalsContact C-N 3.29Å; M536-M538 PolarHBondContact O-N 3.31Å; M536-G539 WeakPolarHBondContact O-CA 3.26Å; M536-G539 PolarHBondContact O-N 3Å; M536-V540 HydrophobicContact CG-CG2 4.41Å; M536-V540 WeakPolarHBondContact O-CG2 3.46Å; M536-V540 PolarHBondContact O-N 3.16Å; M536-F558 WeakPolarHBondContact CA-O 3.38Å; M536-F558 HydrophobicContact CB-CB 4.47Å; M536-F558 WeakPolarHBondContact CB-O 3.37Å; M536-F558 VanDerWaalsContact CG-O 3.32Å; M536-F558 WeakPolarHBondContact CG-O 3.39Å; M536-F558 HydrophobicContact SD-CD1 4Å; M536-F558 HydrophobicContact SD-CE1 4.32Å; M536-V561 HydrophobicContact CG-CG2 4.18Å; M536-V561 HydrophobicContact SD-CG2 3.63Å; M536-W580 HydrophobicContact CE-CE3 4.05Å; M536-W580 HydrophobicContact CE-CH2 3.62Å; M536-W580 HydrophobicContact CE-CZ2 4.28Å; M536-W580 HydrophobicContact CE-CZ3 3.54Å; M536-Y595 HydrophobicContact CE-CE2 4.43Å; M536-Y595 HydrophobicContact SD-CD2 4.27Å; M536-Y595 HydrophobicContact SD-CE2 3.71Å; M536-P597 HydrophobicContact CG-CG 4.02Å
537L98.6Very high97.6Very high0 Ų022 Ų220%011%0.107CC..Hα-helixtrans-53.9-45.4176.2164.867.8000111.4T504 F505 Y508 A533 G534 G535 G539 V540 A541T504-L537 HydrophobicContact CG2-CD1 4.4Å; F505-L537 HydrophobicContact CB-CD1 4.37Å; F505-L537 HydrophobicContact CD1-CB 4.29Å; F505-L537 HydrophobicContact CD1-CD1 3.67Å; F505-L537 HydrophobicContact CE1-CB 4.42Å; Y508-L537 HydrophobicContact CD1-CD1 4.21Å; Y508-L537 HydrophobicContact CD2-CD1 4.4Å; Y508-L537 HydrophobicContact CD2-CD2 3.74Å; Y508-L537 HydrophobicContact CD2-CG 4.41Å; Y508-L537 HydrophobicContact CE2-CD2 4.19Å; Y508-L537 HydrophobicContact CG-CD1 3.84Å; Y508-L537 HydrophobicContact CG-CD2 4.04Å; Y508-L537 HydrophobicContact CG-CG 4.25Å; A533-L537 PolarHBondContact O-N 2.89Å; G534-L537 WeakPolarHBondContact O-CB 3.45Å; G534-L537 PolarHBondContact O-N 3.38Å; G535-L537 VanDerWaalsContact C-N 3.34Å; L537-G539 PolarHBondContact O-N 2.91Å; L537-V540 PolarHBondContact O-N 2.94Å; L537-A541 VanDerWaalsContact O-CB 3.29Å; L537-A541 WeakPolarHBondContact O-CB 3.38Å; L537-A541 PolarHBondContact O-N 3.27Å
538M98.6Very high97.6Very high1 Ų119.7 Ų19.71%0.00510%0.099CC..Hα-helixtrans-58.5-47.6174.1-65-55.49400112Y508 A528 M529 G534 G535 M536 V540 A541 I542 V552 A554Y508-M538 HydrophobicContact CE1-CE 3.86Å; Y508-M538 HydrophobicContact CE2-CE 4.07Å; A528-M538 HydrophobicContact CB-CE 4.39Å; A528-M538 HydrophobicContact CB-SD 3.57Å; A528-M538 VanDerWaalsContact CB-SD 3.57Å; M529-M538 PolarHBondContact N-SD 3.24Å; M529-M538 VanDerWaalsContact N-SD 3.39Å; G534-M538 WeakPolarHBondContact O-CG 3.26Å; G534-M538 PolarHBondContact O-N 2.98Å; G534-M538 VanDerWaalsContact O-N 3.07Å; G535-M538 WeakPolarHBondContact O-CB 3.28Å; G535-M538 PolarHBondContact O-N 3.2Å; M536-M538 VanDerWaalsContact C-N 3.29Å; M536-M538 PolarHBondContact O-N 3.31Å; M538-V540 PolarHBondContact O-N 3.5Å; M538-A541 PolarHBondContact O-N 3.43Å; M538-I542 WeakPolarHBondContact O-CG1 3.26Å; M538-I542 WeakPolarHBondContact O-CG2 2.97Å; M538-I542 PolarHBondContact O-N 3.27Å; M538-V552 HydrophobicContact CB-CG1 3.93Å; M538-V552 HydrophobicContact CG-CG1 4.07Å; M538-V552 HydrophobicContact SD-CG1 3.88Å; M538-A554 HydrophobicContact CB-CB 4.15Å
539G98.1Very high97.6Very high5 Ų520.2 Ų20.25%0.05210%0.101CC..Hα-helixtrans-59.4-43178.300000113.3G535 M536 L537 I542 N543G535-G539 PolarHBondContact O-N 3.03Å; M536-G539 WeakPolarHBondContact O-CA 3.26Å; M536-G539 PolarHBondContact O-N 3Å; L537-G539 PolarHBondContact O-N 2.91Å; G539-I542 WeakPolarHBondContact O-CG1 3.44Å; G539-N543 PolarHBondContact O-N 3.47Å; G539-N543 PolarHBondContact O-ND2 3.38Å
540V98.5Very high97.6Very high2 Ų222.1 Ų22.11%0.01211%0.11CC..Hα-helixtrans-67.2-44.6176.1-1760000111.3F505 M536 L537 M538 I542 N543 Q544 Y595 P597F505-V540 HydrophobicContact CB-CB 4.46Å; F505-V540 HydrophobicContact CB-CG1 3.95Å; F505-V540 HydrophobicContact CD1-CB 3.89Å; F505-V540 HydrophobicContact CD1-CG1 4.15Å; F505-V540 HydrophobicContact CD1-CG2 4.01Å; F505-V540 HydrophobicContact CD2-CB 4.2Å; F505-V540 HydrophobicContact CD2-CG1 3.65Å; F505-V540 HydrophobicContact CD2-CG2 4.2Å; F505-V540 HydrophobicContact CE1-CB 4.15Å; F505-V540 HydrophobicContact CE1-CG2 3.74Å; F505-V540 HydrophobicContact CE2-CB 4.46Å; F505-V540 HydrophobicContact CE2-CG1 4.19Å; F505-V540 HydrophobicContact CE2-CG2 3.96Å; F505-V540 HydrophobicContact CG-CB 3.92Å; F505-V540 HydrophobicContact CG-CG1 3.65Å; F505-V540 HydrophobicContact CG-CG2 4.25Å; F505-V540 HydrophobicContact CZ-CB 4.43Å; F505-V540 HydrophobicContact CZ-CG2 3.71Å; M536-V540 HydrophobicContact CG-CG2 4.41Å; M536-V540 WeakPolarHBondContact O-CG2 3.46Å; M536-V540 PolarHBondContact O-N 3.16Å; L537-V540 PolarHBondContact O-N 2.94Å; M538-V540 PolarHBondContact O-N 3.5Å; V540-I542 PolarHBondContact O-N 3.02Å; V540-N543 PolarHBondContact O-N 2.88Å; V540-Q544 HydrophobicContact CG1-CG 4.19Å; V540-Q544 WeakPolarHBondContact O-CG 3.34Å; V540-Q544 PolarHBondContact O-N 2.8Å; V540-Y595 HydrophobicContact CG2-CD2 4.4Å; V540-Y595 WeakPolarHBondContact CG2-O 3.2Å; V540-P597 HydrophobicContact CG2-CG 3.88Å
541A98.6Very high97.6Very high1 Ų122.5 Ų22.51%0.00811%0.114CC..Hα-helixtrans-59.3-44.7-178.300000111.8Y508 L509 L537 M538 Q544 R545 F549Y508-A541 HydrophobicContact CD1-CB 4.41Å; L509-A541 HydrophobicContact CD2-CB 4.1Å; L537-A541 VanDerWaalsContact O-CB 3.29Å; L537-A541 WeakPolarHBondContact O-CB 3.38Å; L537-A541 PolarHBondContact O-N 3.27Å; M538-A541 PolarHBondContact O-N 3.43Å; A541-Q544 PolarHBondContact O-N 2.54Å; A541-R545 PolarHBondContact O-N 2.86Å; A541-F549 HydrophobicContact CB-CE2 4.04Å; A541-F549 HydrophobicContact CB-CZ 4.4Å
542I98.6Very high97.8Very high14 Ų1422.2 Ų22.27%0.07211%0.11CC..Hα-helixtrans-74.2-24.417968.8177.6000113.4M538 G539 V540 P546 F549 V552 Y606 P607 L609M538-I542 WeakPolarHBondContact O-CG1 3.26Å; M538-I542 WeakPolarHBondContact O-CG2 2.97Å; M538-I542 PolarHBondContact O-N 3.27Å; G539-I542 WeakPolarHBondContact O-CG1 3.44Å; V540-I542 PolarHBondContact O-N 3.02Å; I542-P546 VanDerWaalsContact O-CB 3.27Å; I542-P546 WeakPolarHBondContact O-CB 3.31Å; I542-P546 WeakPolarHBondContact O-CD 3.2Å; I542-F549 HydrophobicContact CG2-CD2 4.39Å; I542-V552 HydrophobicContact CG2-CB 4.26Å; I542-V552 HydrophobicContact CG2-CG1 4.24Å; I542-V552 HydrophobicContact CG2-CG2 3.64Å; I542-Y606 HydrophobicContact CB-CD1 4.14Å; I542-Y606 HydrophobicContact CD1-CD1 4.2Å; I542-Y606 HydrophobicContact CG1-CD1 4.1Å; I542-Y606 HydrophobicContact CG1-CE1 4.27Å; I542-Y606 WeakPolarHBondContact O-CE1 3.45Å; I542-P607 HydrophobicContact CB-CG 4.21Å; I542-P607 HydrophobicContact CG2-CG 3.67Å; I542-L609 HydrophobicContact CD1-CD1 4.38Å; I542-L609 HydrophobicContact CD1-CD2 4.31Å
543N98.4Very high98Very high21 Ų2123.5 Ų23.511%0.11211%0.114CC..Hα-helixtrans-71.5-38.2171.4-78.4-13.7000111.6G539 V540 P597 Q604 Y606G539-N543 PolarHBondContact O-N 3.47Å; G539-N543 PolarHBondContact O-ND2 3.38Å; V540-N543 PolarHBondContact O-N 2.88Å; N543-P597 WeakPolarHBondContact ND2-CA 3.47Å; N543-P597 PolarHBondContact ND2-O 2.91Å; N543-Q604 PolarHBondContact O-NE2 2.64Å; N543-Y606 WeakPolarHBondContact OD1-CE1 3.42Å; N543-Y606 PolarHBondContact OD1-OH 3.12Å
544Q98Very high98.1Very high78 Ų7823.8 Ų23.836%0.36412%0.116SC..Hα-helixtrans-86.2-40-174.5-69-176.4-1.300114.2L509 V540 A541L509-Q544 HydrophobicContact CD1-CB 4.37Å; V540-Q544 HydrophobicContact CG1-CG 4.19Å; V540-Q544 WeakPolarHBondContact O-CG 3.34Å; V540-Q544 PolarHBondContact O-N 2.8Å; A541-Q544 PolarHBondContact O-N 2.54Å
545R97.9Very high98Very high73 Ų7326.9 Ų26.928%0.27513%0.131SC..  trans-140.156.3-173.4-62.5-68.8-57.6-68.6-11.4111.2L509 D513 A541 E547 L548L509-R545 HydrophobicContact CD1-CG 3.91Å; L509-R545 HydrophobicContact CD2-CB 3.97Å; L509-R545 HydrophobicContact CD2-CG 4.09Å; D513-R545 IonicContact OD1-NH2 3.71Å; D513-R545 IonicContact OD2-CZ 2.65Å; D513-R545 IonicContact OD2-NH1 2.63Å; D513-R545 PolarHBondContact OD2-NH1 2.91Å; D513-R545 IonicContact OD2-NH2 3.33Å; A541-R545 PolarHBondContact O-N 2.86Å; R545-E547 VanDerWaalsContact CA-OE2 3.31Å; R545-E547 WeakPolarHBondContact CA-OE2 3.48Å; R545-E547 IonicContact CZ-OE1 3.32Å; R545-E547 VanDerWaalsContact CZ-OE1 3.31Å; R545-E547 IonicContact NE-OE1 3.43Å; R545-E547 PolarHBondContact NE-OE1 2.92Å; R545-E547 IonicContact NH2-OE1 2.64Å; R545-E547 PolarHBondContact NH2-OE1 3.17Å; R545-E547 PolarHBondContact O-N 2.91Å; R545-E547 VanDerWaalsContact O-N 3.17Å; R545-L548 HydrophobicContact CB-CB 4.27Å; R545-L548 WeakPolarHBondContact O-CB 3.33Å; R545-L548 PolarHBondContact O-N 3.09Å; R545-L548 VanDerWaalsContact O-N 3.16Å
546P97.9Very high97.8Very high13 Ų1328.5 Ų28.58%0.08414%0.141CC..G310 helixtrans-58.2-29.9-176.722.3-31.7000113.6I542 L548 F549 A605 Y606I542-P546 VanDerWaalsContact O-CB 3.27Å; I542-P546 WeakPolarHBondContact O-CB 3.31Å; I542-P546 WeakPolarHBondContact O-CD 3.2Å; P546-L548 PolarHBondContact O-N 3.26Å; P546-F549 PolarHBondContact O-N 2.82Å; P546-A605 WeakPolarHBondContact CB-O 3.26Å; P546-A605 WeakPolarHBondContact CG-O 3.48Å; P546-Y606 HydrophobicContact CB-CD1 4.42Å
547E97.9Very high97.7Very high122 Ų12228.6 Ų28.657%0.5714%0.141SC*.G310 helixtrans-70.8-15.4-178.180.8-64.3164.100114.1R545 F549R545-E547 VanDerWaalsContact CA-OE2 3.31Å; R545-E547 WeakPolarHBondContact CA-OE2 3.48Å; R545-E547 IonicContact CZ-OE1 3.32Å; R545-E547 VanDerWaalsContact CZ-OE1 3.31Å; R545-E547 IonicContact NE-OE1 3.43Å; R545-E547 PolarHBondContact NE-OE1 2.92Å; R545-E547 IonicContact NH2-OE1 2.64Å; R545-E547 PolarHBondContact NH2-OE1 3.17Å; R545-E547 PolarHBondContact O-N 2.91Å; R545-E547 VanDerWaalsContact O-N 3.17Å; E547-F549 VanDerWaalsContact C-N 3.3Å
548L98.3Very high97.5Very high12 Ų1229.5 Ų29.56%0.06315%0.145CC..G310 helixtrans-71.7-26.7178.9-179.357.7000112.2L509 C512 L516 C526 R545 P546L509-L548 HydrophobicContact CD2-CD2 3.83Å; C512-L548 HydrophobicContact CB-CD2 3.83Å; L516-L548 HydrophobicContact CD1-CD1 3.67Å; C526-L548 WeakPolarHBondContact CB-O 3.34Å; R545-L548 HydrophobicContact CB-CB 4.27Å; R545-L548 WeakPolarHBondContact O-CB 3.33Å; R545-L548 PolarHBondContact O-N 3.09Å; R545-L548 VanDerWaalsContact O-N 3.16Å; P546-L548 PolarHBondContact O-N 3.26Å
549F98.6Very high97.4Very high11 Ų1129.5 Ų29.55%0.04815%0.145CC..  trans-112.9137.7-171-53.2-70.4000111.4Y508 L509 C526 A528 A541 I542 P546 E547 V552 P607Y508-F549 HydrophobicContact CE1-CE1 4.29Å; Y508-F549 AromaticContact CE1-CZ 3.95Å; Y508-F549 HydrophobicContact CE1-CZ 3.95Å; L509-F549 HydrophobicContact CD2-CE2 4.17Å; L509-F549 HydrophobicContact CD2-CZ 4.1Å; C526-F549 CarbonylContact O-C 3.47Å; C526-F549 WeakPolarHBondContact O-CA 3.38Å; A528-F549 HydrophobicContact CB-CD1 3.71Å; A528-F549 HydrophobicContact CB-CE1 3.69Å; A528-F549 HydrophobicContact CB-CG 4.32Å; A528-F549 HydrophobicContact CB-CZ 4.26Å; A541-F549 HydrophobicContact CB-CE2 4.04Å; A541-F549 HydrophobicContact CB-CZ 4.4Å; I542-F549 HydrophobicContact CG2-CD2 4.39Å; P546-F549 PolarHBondContact O-N 2.82Å; E547-F549 VanDerWaalsContact C-N 3.3Å; F549-V552 HydrophobicContact CB-CG2 3.82Å; F549-V552 HydrophobicContact CD2-CG2 4.38Å; F549-V552 HydrophobicContact CG-CG2 4.07Å; F549-P607 HydrophobicContact CB-CB 4.06Å; F549-P607 HydrophobicContact CB-CG 4.3Å; F549-P607 WeakPolarHBondContact O-CB 3.41Å
550H98.6Very high97.3Very high75 Ų7529.8 Ų29.835%0.34715%0.146SC..SBendtrans-79.2-41166.6-175.779.1000110.9C526 Y527 H608C526-H550 PolarHBondContact O-N 2.82Å; Y527-H550 HydrophobicContact CE1-CB 4.38Å; Y527-H550 AromaticContact CE1-CD2 3.54Å; Y527-H550 AromaticContact CZ-CD2 3.54Å; Y527-H550 PolarHBondContact OH-CD2 2.92Å; H550-H608 AromaticContact NE2-CD2 3.83Å; H550-H608 PolarHBondContact O-CD2 3.48Å; H550-H608 VanDerWaalsContact O-CD2 3.25Å; H550-H608 PolarHBondContact O-N 2.73Å; H550-H608 VanDerWaalsContact O-N 3.15Å
551G98.5Very high97.1Very high8 Ų829.7 Ų29.78%0.08215%0.145CC..EExtended strand (participates in β ladder)trans-153.7153.517700000113.8Y527 A528 H608Y527-G551 WeakPolarHBondContact CA-O 3.39Å; A528-G551 PolarHBondContact N-O 3.12Å; G551-H608 CarbonylContact C-O 3.57Å; G551-H608 WeakPolarHBondContact CA-O 3.26Å
552V98.8Very high97.1Very high3 Ų329.6 Ų29.62%0.01815%0.145CC..EExtended strand (participates in β ladder)trans-134.9139.1-175.1-179.90000110.8A528 M538 I542 F549 P607 H608 L609 L610A528-V552 HydrophobicContact CB-CG1 4.28Å; A528-V552 HydrophobicContact CB-CG2 4.01Å; A528-V552 CarbonylContact O-C 3.59Å; A528-V552 VanDerWaalsContact O-CA 3.32Å; A528-V552 WeakPolarHBondContact O-CA 3.43Å; M538-V552 HydrophobicContact CB-CG1 3.93Å; M538-V552 HydrophobicContact CG-CG1 4.07Å; M538-V552 HydrophobicContact SD-CG1 3.88Å; I542-V552 HydrophobicContact CG2-CB 4.26Å; I542-V552 HydrophobicContact CG2-CG1 4.24Å; I542-V552 HydrophobicContact CG2-CG2 3.64Å; F549-V552 HydrophobicContact CB-CG2 3.82Å; F549-V552 HydrophobicContact CD2-CG2 4.38Å; F549-V552 HydrophobicContact CG-CG2 4.07Å; V552-P607 HydrophobicContact CB-CG 4.48Å; V552-P607 HydrophobicContact CG2-CB 4.16Å; V552-P607 HydrophobicContact CG2-CG 3.7Å; V552-H608 PolarHBondContact N-O 2.83Å; V552-L609 HydrophobicContact CB-CD1 3.91Å; V552-L609 HydrophobicContact CG1-CD1 4Å; V552-L609 WeakPolarHBondContact O-CA 3.38Å; V552-L610 PolarHBondContact O-N 3.1Å
553I98.3Very high96.9Very high54 Ų5429.5 Ų29.528%0.27714%0.144SC..EExtended strand (participates in β ladder)trans-113.6112.7173.7-56.2174.2000108.3A528 M529 G530 Q555 L610A528-I553 PolarHBondContact O-N 2.8Å; M529-I553 WeakPolarHBondContact CA-O 3.24Å; M529-I553 HydrophobicContact CB-CB 4.31Å; M529-I553 HydrophobicContact CG-CB 4.06Å; M529-I553 HydrophobicContact CG-CG2 4.33Å; M529-I553 HydrophobicContact SD-CD1 4.48Å; G530-I553 PolarHBondContact N-O 3.06Å; G530-I553 VanDerWaalsContact N-O 3.14Å; I553-Q555 HydrophobicContact CG2-CG 3.87Å; I553-L610 WeakPolarHBondContact CA-O 3.01Å
554A97.6Very high96.7Very high6 Ų628.9 Ų28.95%0.0514%0.141CC..EExtended strand (participates in β ladder)trans-112.1106.417800000109.4M538 P557 L609 L610 V611 T612M538-A554 HydrophobicContact CB-CB 4.15Å; A554-P557 HydrophobicContact CB-CB 4.04Å; A554-P557 HydrophobicContact CB-CG 3.79Å; A554-P557 WeakPolarHBondContact O-CD 3.49Å; A554-L609 HydrophobicContact CB-CD1 4.39Å; A554-L610 PolarHBondContact N-O 2.85Å; A554-V611 WeakPolarHBondContact O-CA 3.41Å; A554-T612 PolarHBondContact O-N 3.4Å; A554-T612 VanDerWaalsContact O-N 3.17Å
555Q94.5Very high96.5Very high65 Ų6525.1 Ų25.130%0.30412%0.124SC..EExtended strand (participates in β ladder)trans-96.9125.2-173.1-52.4173.6-57.600110.4M529 G530 G531 S532 I553 T612M529-Q555 HydrophobicContact CE-CG 4.45Å; M529-Q555 VanDerWaalsContact CE-OE1 3.27Å; G530-Q555 PolarHBondContact O-N 2.81Å; G531-Q555 CarbonylContact C-O 3.4Å; G531-Q555 WeakPolarHBondContact CA-O 3.22Å; S532-Q555 PolarHBondContact N-O 3.41Å; I553-Q555 HydrophobicContact CG2-CG 3.87Å; Q555-T612 WeakPolarHBondContact CA-OG1 3.46Å
556V92.5Very high96.4Very high35 Ų3523.5 Ų23.521%0.21212%0.12CC..SBendtrans39.745.3-176.6-68.10000113.5S532 T612 D617 A620S532-V556 WeakPolarHBondContact CA-O 3.45Å; V556-T612 WeakPolarHBondContact CA-O 3.39Å; V556-T612 PolarHBondContact N-O 3.25Å; V556-D617 WeakPolarHBondContact CG1-OD2 3.39Å; V556-A620 HydrophobicContact CB-CB 4.33Å; V556-A620 WeakPolarHBondContact O-CB 3.01Å
557P95.1Very high96.1Very high2 Ų224.6 Ų24.61%0.01313%0.126CC..  trans-74.4138.9-159.830.3-36.3000114.3G535 A554 V559 V611 L625G535-P557 VanDerWaalsContact C-CB 3.46Å; A554-P557 HydrophobicContact CB-CB 4.04Å; A554-P557 HydrophobicContact CB-CG 3.79Å; A554-P557 WeakPolarHBondContact O-CD 3.49Å; P557-V559 HydrophobicContact CB-CG1 3.76Å; P557-V559 HydrophobicContact CG-CG1 4.06Å; P557-V559 PolarHBondContact O-N 3.3Å; P557-V611 HydrophobicContact CG-CG1 4Å; P557-L625 HydrophobicContact CB-CD2 4.14Å; P557-L625 HydrophobicContact CG-CD2 3.16Å; P557-L625 WeakPolarHBondContact O-CD2 3.46Å
558F95Very high95.7Very high18 Ų1824 Ų248%0.07912%0.123CC..  trans-79.8106.3172.3177.5-133.7000110.9S532 M536 V561 T564 M565 W580S532-F558 PolarHBondContact O-N 3.09Å; M536-F558 WeakPolarHBondContact CA-O 3.38Å; M536-F558 HydrophobicContact CB-CB 4.47Å; M536-F558 WeakPolarHBondContact CB-O 3.37Å; M536-F558 VanDerWaalsContact CG-O 3.32Å; M536-F558 WeakPolarHBondContact CG-O 3.39Å; M536-F558 HydrophobicContact SD-CD1 4Å; M536-F558 HydrophobicContact SD-CE1 4.32Å; F558-V561 HydrophobicContact CD1-CG2 4.17Å; F558-V561 HydrophobicContact CE1-CB 4.25Å; F558-V561 HydrophobicContact CE1-CG1 3.97Å; F558-V561 HydrophobicContact CE1-CG2 3.84Å; F558-V561 HydrophobicContact CE2-CG2 4.48Å; F558-V561 HydrophobicContact CZ-CB 4.06Å; F558-V561 HydrophobicContact CZ-CG1 3.97Å; F558-V561 HydrophobicContact CZ-CG2 4.02Å; F558-T564 HydrophobicContact CE2-CG2 4.01Å; F558-M565 HydrophobicContact CZ-CG 4.01Å; F558-M565 HydrophobicContact CZ-SD 4.33Å; F558-W580 HydrophobicContact CD1-CZ2 4.07Å; F558-W580 AromaticContact CE1-CD1 3.94Å; F558-W580 HydrophobicContact CE1-CD2 4.35Å; F558-W580 AromaticContact CE1-CE2 3.72Å; F558-W580 HydrophobicContact CE1-CG 4.47Å; F558-W580 HydrophobicContact CE1-CZ2 4.15Å; F558-W580 AromaticContact CE1-NE1 3.41Å
559V96.1Very high95.1Very high1 Ų126.5 Ų26.51%0.00614%0.141CC..  trans-132.6-24.6-165.7-62.20000115.4P557 V561 P597 Y598 N624 L625 L628P557-V559 HydrophobicContact CB-CG1 3.76Å; P557-V559 HydrophobicContact CG-CG1 4.06Å; P557-V559 PolarHBondContact O-N 3.3Å; V559-V561 VanDerWaalsContact C-N 3.31Å; V559-V561 PolarHBondContact O-N 3.08Å; V559-P597 HydrophobicContact CB-CB 4.01Å; V559-P597 HydrophobicContact CB-CG 4.31Å; V559-P597 HydrophobicContact CG1-CB 4.22Å; V559-P597 HydrophobicContact CG1-CG 4.34Å; V559-P597 WeakPolarHBondContact O-CD 3.21Å; V559-Y598 VanDerWaalsContact O-CB 3.31Å; V559-Y598 WeakPolarHBondContact O-CB 3.4Å; V559-Y598 PolarHBondContact O-N 2.81Å; V559-N624 WeakPolarHBondContact CG2-O 3.19Å; V559-L625 HydrophobicContact CG2-CD2 3.93Å; V559-L628 HydrophobicContact CB-CD1 3.55Å; V559-L628 HydrophobicContact CB-CG 4.21Å; V559-L628 HydrophobicContact CG1-CD1 3.55Å; V559-L628 HydrophobicContact CG2-CD1 3.51Å; V559-L628 HydrophobicContact CG2-CG 3.93Å
560D95.3Very high94.4Very high11 Ų1126.6 Ų26.66%0.05914%0.142CC..  trans-94.464172.8-173.915.5000109.9T563 T564 Y598 N624D560-T563 VanDerWaalsContact CG-CB 3.49Å; D560-T563 WeakPolarHBondContact OD1-CB 3.37Å; D560-T563 PolarHBondContact OD1-OG1 3.09Å; D560-T563 VanDerWaalsContact OD2-CB 3.26Å; D560-T563 WeakPolarHBondContact OD2-CB 3.4Å; D560-T564 WeakPolarHBondContact O-CB 3.39Å; D560-T564 PolarHBondContact O-N 3.09Å; D560-T564 VanDerWaalsContact O-N 3.11Å; D560-T564 PolarHBondContact O-OG1 3.27Å; D560-Y598 HydrophobicContact CB-CD1 4.44Å; D560-N624 HydrophobicContact CB-CB 4.06Å
561V95.8Very high93.4Very high0 Ų024.5 Ų24.50%014%0.135CC..Hα-helixtrans-65.2-49.6-165.9178.60000111M536 F558 V559 M565 M592 Y595 S596M536-V561 HydrophobicContact CG-CG2 4.18Å; M536-V561 HydrophobicContact SD-CG2 3.63Å; F558-V561 HydrophobicContact CD1-CG2 4.17Å; F558-V561 HydrophobicContact CE1-CB 4.25Å; F558-V561 HydrophobicContact CE1-CG1 3.97Å; F558-V561 HydrophobicContact CE1-CG2 3.84Å; F558-V561 HydrophobicContact CE2-CG2 4.48Å; F558-V561 HydrophobicContact CZ-CB 4.06Å; F558-V561 HydrophobicContact CZ-CG1 3.97Å; F558-V561 HydrophobicContact CZ-CG2 4.02Å; V559-V561 VanDerWaalsContact C-N 3.31Å; V559-V561 PolarHBondContact O-N 3.08Å; V561-M565 HydrophobicContact CG1-CG 4.47Å; V561-M565 WeakPolarHBondContact O-CB 3.34Å; V561-M565 WeakPolarHBondContact O-CG 3.27Å; V561-M565 PolarHBondContact O-N 3.3Å; V561-M592 HydrophobicContact CG1-CE 3.67Å; V561-Y595 HydrophobicContact CG1-CE2 4.23Å; V561-S596 PolarHBondContact N-OG 3.03Å
562V96.6Very high92.8Very high0 Ų025.8 Ų25.80%014%0.14CC..Hα-helixtrans-69.8-45.4-173.6-175.80000111.3R19 L566 Y589 M592 K593R19-V562 VanDerWaalsContact CZ-CG1 3.48Å; V562-L566 HydrophobicContact CG1-CD1 3.94Å; V562-L566 WeakPolarHBondContact O-CB 3.36Å; V562-L566 WeakPolarHBondContact O-CD1 3.49Å; V562-L566 VanDerWaalsContact O-CG 3.23Å; V562-L566 WeakPolarHBondContact O-CG 3.43Å; V562-L566 PolarHBondContact O-N 2.87Å; V562-L566 VanDerWaalsContact O-N 3.16Å; V562-Y589 HydrophobicContact CG1-CD2 3.95Å; V562-Y589 HydrophobicContact CG1-CE2 3.6Å; V562-M592 HydrophobicContact CG2-CB 4.33Å; V562-K593 HydrophobicContact CG2-CB 4Å
563T95.2Very high92.4Very high11 Ų1125.8 Ų25.87%0.06714%0.14CC..Hα-helixtrans-67.5-43.2-177.9-46.70000111.3M12 R19 Y24 D560 L566M12-T563 HydrophobicContact CE-CG2 3.77Å; M12-T563 HydrophobicContact SD-CG2 3.75Å; R19-T563 PolarHBondContact NH1-OG1 3.07Å; R19-T563 VanDerWaalsContact NH1-OG1 3.07Å; R19-T563 PolarHBondContact NH2-OG1 2.61Å; Y24-T563 HydrophobicContact CD2-CG2 4.26Å; Y24-T563 HydrophobicContact CE2-CG2 4.01Å; D560-T563 VanDerWaalsContact CG-CB 3.49Å; D560-T563 WeakPolarHBondContact OD1-CB 3.37Å; D560-T563 PolarHBondContact OD1-OG1 3.09Å; D560-T563 VanDerWaalsContact OD2-CB 3.26Å; D560-T563 WeakPolarHBondContact OD2-CB 3.4Å; T563-L566 PolarHBondContact O-N 2.87Å
564T93.6Very high91.9Very high8 Ų823.7 Ų23.75%0.04913%0.13CC..Hα-helixtrans-63.4-48.4177.9-57.80000111.1F558 D560 L566 D567 I570 T573 N624F558-T564 HydrophobicContact CE2-CG2 4.01Å; D560-T564 WeakPolarHBondContact O-CB 3.39Å; D560-T564 PolarHBondContact O-N 3.09Å; D560-T564 VanDerWaalsContact O-N 3.11Å; D560-T564 PolarHBondContact O-OG1 3.27Å; T564-L566 PolarHBondContact O-N 2.89Å; T564-L566 VanDerWaalsContact O-N 3.15Å; T564-D567 PolarHBondContact O-N 2.72Å; T564-I570 HydrophobicContact CG2-CD1 4Å; T564-I570 HydrophobicContact CG2-CG2 3.84Å; T564-T573 PolarHBondContact O-OG1 2.78Å; T564-N624 PolarHBondContact OG1-ND2 3.49Å
565M95.3Very high91.5Very high0 Ų024 Ų240%013%0.134CC..Hα-helixtrans-71.9-6.4-178.5-66.7-56.5-59.100114F558 V561 T573 E576 F577 P583 M592F558-M565 HydrophobicContact CZ-CG 4.01Å; F558-M565 HydrophobicContact CZ-SD 4.33Å; V561-M565 HydrophobicContact CG1-CG 4.47Å; V561-M565 WeakPolarHBondContact O-CB 3.34Å; V561-M565 WeakPolarHBondContact O-CG 3.27Å; V561-M565 PolarHBondContact O-N 3.3Å; M565-T573 HydrophobicContact CE-CG2 4.39Å; M565-T573 WeakPolarHBondContact CE-O 3.17Å; M565-T573 HydrophobicContact SD-CG2 4.43Å; M565-E576 HydrophobicContact CE-CB 3.73Å; M565-E576 HydrophobicContact SD-CB 3.88Å; M565-F577 HydrophobicContact CE-CD1 3.41Å; M565-F577 VanDerWaalsContact CE-CD1 3.41Å; M565-F577 HydrophobicContact CE-CE1 3.76Å; M565-F577 HydrophobicContact CE-CG 4.46Å; M565-F577 WeakPolarHBondContact O-CE1 3.19Å; M565-P583 HydrophobicContact CB-CG 3.67Å; M565-P583 WeakPolarHBondContact O-CD 3.37Å; M565-P583 VanDerWaalsContact O-CG 3.26Å; M565-P583 WeakPolarHBondContact O-CG 3.39Å; M565-M592 HydrophobicContact CB-CE 3.52Å; M565-M592 HydrophobicContact CG-CE 3.58Å
566L95.5Very high91.5Very high38 Ų3822.2 Ų22.220%0.19913%0.125CC..THydrogen-bonded Turntrans-90-11170-77.4170.2000113.2L14 V562 T563 T564 P583 Q584 Y589L14-L566 HydrophobicContact CD2-CD1 3.98Å; L14-L566 HydrophobicContact CD2-CD2 3.31Å; L14-L566 HydrophobicContact CD2-CG 4.3Å; V562-L566 HydrophobicContact CG1-CD1 3.94Å; V562-L566 WeakPolarHBondContact O-CB 3.36Å; V562-L566 WeakPolarHBondContact O-CD1 3.49Å; V562-L566 VanDerWaalsContact O-CG 3.23Å; V562-L566 WeakPolarHBondContact O-CG 3.43Å; V562-L566 PolarHBondContact O-N 2.87Å; V562-L566 VanDerWaalsContact O-N 3.16Å; T563-L566 PolarHBondContact O-N 2.87Å; T564-L566 PolarHBondContact O-N 2.89Å; T564-L566 VanDerWaalsContact O-N 3.15Å; L566-P583 HydrophobicContact CD2-CB 3.88Å; L566-P583 HydrophobicContact CD2-CG 3.67Å; L566-P583 HydrophobicContact CG-CB 4.09Å; L566-P583 HydrophobicContact CG-CG 3.7Å; L566-Q584 HydrophobicContact CD2-CG 4.41Å; L566-Y589 HydrophobicContact CD1-CE2 4.21Å
567D91.4Very high91.6Very high37 Ų3722.2 Ų22.220%0.19812%0.123CC..  trans-114.5102.5-174.3-165.5-26.7000112.3R27 T564 S569 I570 T573R27-D567 IonicContact CZ-OD2 3.91Å; R27-D567 IonicContact NH1-OD2 2.86Å; R27-D567 PolarHBondContact NH1-OD2 2.8Å; R27-D567 IonicContact NH2-OD2 2.68Å; T564-D567 PolarHBondContact O-N 2.72Å; D567-S569 VanDerWaalsContact CG-OG 3.28Å; D567-S569 PolarHBondContact O-N 2.97Å; D567-S569 WeakPolarHBondContact OD1-CA 3.42Å; D567-S569 VanDerWaalsContact OD1-CB 3.22Å; D567-S569 WeakPolarHBondContact OD1-CB 3.27Å; D567-S569 PolarHBondContact OD1-N 3.06Å; D567-S569 PolarHBondContact OD1-OG 3.32Å; D567-S569 PolarHBondContact OD2-OG 2.85Å; D567-I570 HydrophobicContact CB-CD1 3.96Å; D567-I570 HydrophobicContact CB-CG1 4.22Å; D567-I570 WeakPolarHBondContact O-CB 3.37Å; D567-I570 PolarHBondContact O-N 3.23Å; D567-T573 WeakPolarHBondContact O-CB 3.43Å; D567-T573 WeakPolarHBondContact O-CG2 3.2Å; D567-T573 PolarHBondContact O-OG1 3.37Å
568E89.5Confident91.5Very high110 Ų11023 Ų2351%0.51413%0.126SC..THydrogen-bonded Turntrans-71-10.4179.3-62.9177.5-165.100113.5I570 T574 F577E568-I570 VanDerWaalsContact C-N 3.26Å; E568-I570 PolarHBondContact O-N 3.48Å; E568-T574 HydrophobicContact CB-CG2 4.06Å; E568-T574 HydrophobicContact CG-CG2 4.07Å; E568-F577 HydrophobicContact CG-CE2 4.32Å; E568-F577 HydrophobicContact CG-CZ 4Å
569S84.6Confident91.6Very high63 Ų6322.3 Ų22.344%0.44112%0.123SC..THydrogen-bonded Turntrans-74.9-18.2173.472.60000113.1R27 D567R27-S569 PolarHBondContact NH2-OG 3.27Å; D567-S569 VanDerWaalsContact CG-OG 3.28Å; D567-S569 PolarHBondContact O-N 2.97Å; D567-S569 WeakPolarHBondContact OD1-CA 3.42Å; D567-S569 VanDerWaalsContact OD1-CB 3.22Å; D567-S569 WeakPolarHBondContact OD1-CB 3.27Å; D567-S569 PolarHBondContact OD1-N 3.06Å; D567-S569 PolarHBondContact OD1-OG 3.32Å; D567-S569 PolarHBondContact OD2-OG 2.85Å
570I84.1Confident91.7Very high13 Ų1322.2 Ų22.27%0.06712%0.123CC..SBendtrans-77.6127.1177.4-66.7176.7000108.8T564 D567 E568 T573 M621T564-I570 HydrophobicContact CG2-CD1 4Å; T564-I570 HydrophobicContact CG2-CG2 3.84Å; D567-I570 HydrophobicContact CB-CD1 3.96Å; D567-I570 HydrophobicContact CB-CG1 4.22Å; D567-I570 WeakPolarHBondContact O-CB 3.37Å; D567-I570 PolarHBondContact O-N 3.23Å; E568-I570 VanDerWaalsContact C-N 3.26Å; E568-I570 PolarHBondContact O-N 3.48Å; I570-T573 PolarHBondContact O-N 2.89Å; I570-T573 PolarHBondContact O-OG1 2.96Å; I570-M621 HydrophobicContact CB-CE 3.86Å; I570-M621 HydrophobicContact CD1-CE 4.44Å; I570-M621 HydrophobicContact CD1-SD 4.31Å; I570-M621 HydrophobicContact CG1-CE 3.61Å; I570-M621 HydrophobicContact CG1-SD 4.1Å; I570-M621 HydrophobicContact CG2-CE 3.7Å; I570-M621 HydrophobicContact CG2-SD 4.31Å
571P79.1Confident91.7Very high31 Ų3121.8 Ų21.820%0.20112%0.12CC..THydrogen-bonded Turntrans-50.5144.4172.3-27.535.8000111.7T573P571-T573 VanDerWaalsContact C-N 3.28Å; P571-T573 PolarHBondContact O-N 2.72Å
572L84.4Confident91.8Very high36 Ų3623.8 Ų23.819%0.18813%0.131CC..THydrogen-bonded Turntrans77.6-25.4-177.3-46.8177.3000116.4Y225 T574 G575 E576 Q619Y225-L572 WeakPolarHBondContact OH-CD2 3.44Å; L572-T574 VanDerWaalsContact C-N 3.34Å; L572-T574 PolarHBondContact O-N 3.29Å; L572-G575 PolarHBondContact O-N 3.22Å; L572-G575 VanDerWaalsContact O-N 3.13Å; L572-E576 HydrophobicContact CB-CG 4.24Å; L572-E576 WeakPolarHBondContact O-CG 3.35Å; L572-E576 PolarHBondContact O-N 3.28Å; L572-Q619 HydrophobicContact CD1-CG 4.22Å; L572-Q619 WeakPolarHBondContact CD1-O 3.28Å
573T90.1Very high91.9Very high2 Ų223.8 Ų23.81%0.01213%0.131CC..Hα-helixtrans-51-48.4-173.3-66.20000113.4T564 M565 D567 I570 P571 G575 E576 F577T564-T573 PolarHBondContact O-OG1 2.78Å; M565-T573 HydrophobicContact CE-CG2 4.39Å; M565-T573 WeakPolarHBondContact CE-O 3.17Å; M565-T573 HydrophobicContact SD-CG2 4.43Å; D567-T573 WeakPolarHBondContact O-CB 3.43Å; D567-T573 WeakPolarHBondContact O-CG2 3.2Å; D567-T573 PolarHBondContact O-OG1 3.37Å; I570-T573 PolarHBondContact O-N 2.89Å; I570-T573 PolarHBondContact O-OG1 2.96Å; P571-T573 VanDerWaalsContact C-N 3.28Å; P571-T573 PolarHBondContact O-N 2.72Å; T573-G575 PolarHBondContact O-N 3.09Å; T573-E576 PolarHBondContact O-N 2.88Å; T573-F577 HydrophobicContact CG2-CE1 3.78Å; T573-F577 HydrophobicContact CG2-CZ 3.83Å; T573-F577 PolarHBondContact O-N 3.36Å
574T89.5Confident91.9Very high10 Ų1027.6 Ų27.66%0.06115%0.148CC..Hα-helixtrans-65.4-41-176.658.40000112.4D222 E568 L572 F577D222-T574 WeakPolarHBondContact OD1-CB 3.45Å; D222-T574 PolarHBondContact OD1-OG1 2.82Å; E568-T574 HydrophobicContact CB-CG2 4.06Å; E568-T574 HydrophobicContact CG-CG2 4.07Å; L572-T574 VanDerWaalsContact C-N 3.34Å; L572-T574 PolarHBondContact O-N 3.29Å; T574-F577 HydrophobicContact CG2-CE2 4.3Å; T574-F577 WeakPolarHBondContact O-CB 3.47Å; T574-F577 VanDerWaalsContact O-CD2 3.27Å; T574-F577 WeakPolarHBondContact O-CD2 3.38Å; T574-F577 PolarHBondContact O-N 2.87Å
575G88Confident92.2Very high14 Ų1430.5 Ų30.514%0.14416%0.163CC..Hα-helixtrans-68.1-32.6174.500000113.4L572 T573 F577 E578L572-G575 PolarHBondContact O-N 3.22Å; L572-G575 VanDerWaalsContact O-N 3.13Å; T573-G575 PolarHBondContact O-N 3.09Å; G575-F577 VanDerWaalsContact C-N 3.26Å; G575-F577 PolarHBondContact O-N 2.95Å; G575-E578 PolarHBondContact O-N 2.88Å
576E93.8Very high92.3Very high26 Ų2633.9 Ų33.912%0.12119%0.185CC..Hα-helixtrans-77.4-8-179.8-70.9-160.8164.900114.2Y455 M565 L572 T573 E578 E579 W580Y455-E576 HydrophobicContact CE1-CG 4.48Å; Y455-E576 PolarHBondContact OH-OE1 2.78Å; M565-E576 HydrophobicContact CE-CB 3.73Å; M565-E576 HydrophobicContact SD-CB 3.88Å; L572-E576 HydrophobicContact CB-CG 4.24Å; L572-E576 WeakPolarHBondContact O-CG 3.35Å; L572-E576 PolarHBondContact O-N 3.28Å; T573-E576 PolarHBondContact O-N 2.88Å; E576-E578 PolarHBondContact O-N 3.46Å; E576-E579 PolarHBondContact O-N 3.04Å; E576-W580 PolarHBondContact O-N 3.26Å; E576-W580 PolarHBondContact OE2-NE1 2.88Å
577F94.9Very high92.4Very high35 Ų3537.5 Ų37.515%0.15420%0.202CC..THydrogen-bonded Turntrans-57.5-29.5167.6-65.9-29.6000112.1F498 M565 E568 T573 T574 G575 E579 G581 N582F498-F577 VanDerWaalsContact CE1-O 3.32Å; F498-F577 WeakPolarHBondContact CE1-O 3.42Å; M565-F577 HydrophobicContact CE-CD1 3.41Å; M565-F577 VanDerWaalsContact CE-CD1 3.41Å; M565-F577 HydrophobicContact CE-CE1 3.76Å; M565-F577 HydrophobicContact CE-CG 4.46Å; M565-F577 WeakPolarHBondContact O-CE1 3.19Å; E568-F577 HydrophobicContact CG-CE2 4.32Å; E568-F577 HydrophobicContact CG-CZ 4Å; T573-F577 HydrophobicContact CG2-CE1 3.78Å; T573-F577 HydrophobicContact CG2-CZ 3.83Å; T573-F577 PolarHBondContact O-N 3.36Å; T574-F577 HydrophobicContact CG2-CE2 4.3Å; T574-F577 WeakPolarHBondContact O-CB 3.47Å; T574-F577 VanDerWaalsContact O-CD2 3.27Å; T574-F577 WeakPolarHBondContact O-CD2 3.38Å; T574-F577 PolarHBondContact O-N 2.87Å; G575-F577 VanDerWaalsContact C-N 3.26Å; G575-F577 PolarHBondContact O-N 2.95Å; F577-E579 VanDerWaalsContact C-N 3.25Å; F577-E579 PolarHBondContact O-N 3.13Å; F577-G581 VanDerWaalsContact O-CA 3.3Å; F577-G581 WeakPolarHBondContact O-CA 3.26Å; F577-G581 PolarHBondContact O-N 2.77Å; F577-N582 HydrophobicContact CB-CB 4.28Å; F577-N582 HydrophobicContact CD1-CB 3.69Å; F577-N582 HydrophobicContact CD2-CB 4.46Å; F577-N582 HydrophobicContact CE1-CB 4.12Å; F577-N582 WeakPolarHBondContact CE2-ND2 3.38Å; F577-N582 HydrophobicContact CG-CB 3.9Å
578E94.3Very high92.7Very high20 Ų2038.3 Ų38.39%0.09320%0.202CC..THydrogen-bonded Turntrans-80.8-0175.6-63.3-168.314700113.7S243 A244 T245 K269 K497 F498 G575 E576S243-E578 WeakPolarHBondContact CB-OE2 3.48Å; S243-E578 PolarHBondContact OG-OE1 3.47Å; S243-E578 PolarHBondContact OG-OE2 2.96Å; A244-E578 WeakPolarHBondContact CA-OE2 3.4Å; A244-E578 HydrophobicContact CB-CB 3.74Å; A244-E578 WeakPolarHBondContact CB-OE2 3.39Å; A244-E578 PolarHBondContact N-OE2 3.43Å; T245-E578 HydrophobicContact CG2-CB 4.43Å; T245-E578 PolarHBondContact N-OE2 2.8Å; K269-E578 IonicContact NZ-OE1 3.66Å; K269-E578 PolarHBondContact NZ-OE1 3.4Å; K497-E578 WeakPolarHBondContact CE-O 3.45Å; K497-E578 PolarHBondContact NZ-O 3.04Å; F498-E578 WeakPolarHBondContact CZ-O 3.39Å; G575-E578 PolarHBondContact O-N 2.88Å; E576-E578 PolarHBondContact O-N 3.46Å
579E96.5Very high93.2Very high2 Ų233.2 Ų33.21%0.00918%0.178CC..THydrogen-bonded Turntrans-110.8-58.8177.2179.664.6-174.100111.9Y455 Y493 K497 F498 E576 F577Y455-E579 HydrophobicContact CD1-CB 4.41Å; Y455-E579 HydrophobicContact CD1-CG 3.96Å; Y455-E579 HydrophobicContact CE1-CB 4.27Å; Y455-E579 HydrophobicContact CE1-CG 3.85Å; Y455-E579 PolarHBondContact N-OE1 2.81Å; Y493-E579 WeakPolarHBondContact CE2-OE2 3.48Å; Y493-E579 PolarHBondContact OH-OE2 3.19Å; K497-E579 IonicContact NZ-OE2 3.58Å; F498-E579 PolarHBondContact N-O 2.91Å; E576-E579 PolarHBondContact O-N 3.04Å; F577-E579 VanDerWaalsContact C-N 3.25Å; F577-E579 PolarHBondContact O-N 3.13Å
580W97.4Very high93.8Very high0 Ų035.2 Ų35.20%018%0.181CC..THydrogen-bonded Turntrans-90.8-26.4-175.2-44.6121.4000113S454 Y455 K501 A533 M536 F558 E576 M592S454-W580 WeakPolarHBondContact OG-CH2 3.1Å; Y455-W580 HydrophobicContact CE1-CZ2 4.43Å; Y455-W580 HydrophobicContact CE2-CZ2 4.44Å; Y455-W580 AromaticContact CZ-CZ2 3.9Å; K501-W580 HydrophobicContact CD-CE3 4.21Å; K501-W580 HydrophobicContact CD-CZ3 3.82Å; K501-W580 HydrophobicContact CG-CE3 4.38Å; K501-W580 HydrophobicContact CG-CZ3 4.41Å; A533-W580 HydrophobicContact CB-CH2 4.07Å; A533-W580 HydrophobicContact CB-CZ2 4.28Å; M536-W580 HydrophobicContact CE-CE3 4.05Å; M536-W580 HydrophobicContact CE-CH2 3.62Å; M536-W580 HydrophobicContact CE-CZ2 4.28Å; M536-W580 HydrophobicContact CE-CZ3 3.54Å; F558-W580 HydrophobicContact CD1-CZ2 4.07Å; F558-W580 AromaticContact CE1-CD1 3.94Å; F558-W580 HydrophobicContact CE1-CD2 4.35Å; F558-W580 AromaticContact CE1-CE2 3.72Å; F558-W580 HydrophobicContact CE1-CG 4.47Å; F558-W580 HydrophobicContact CE1-CZ2 4.15Å; F558-W580 AromaticContact CE1-NE1 3.41Å; E576-W580 PolarHBondContact O-N 3.26Å; E576-W580 PolarHBondContact OE2-NE1 2.88Å; W580-M592 HydrophobicContact CB-CE 4.09Å; W580-M592 HydrophobicContact CB-SD 4.46Å
581G97.1Very high94.5Very high1 Ų136.7 Ų36.71%0.0119%0.186CC..  trans100.2164.8-16400000112.4F577 P583F577-G581 VanDerWaalsContact O-CA 3.3Å; F577-G581 WeakPolarHBondContact O-CA 3.26Å; F577-G581 PolarHBondContact O-N 2.77Å; G581-P583 WeakPolarHBondContact O-CD 3.24Å
582N97Very high95.4Very high43 Ų4335.2 Ų35.223%0.2318%0.176CC..  trans-99.2111.8178.4-173.6-22.1000110F577 Q584 D585 Y588F577-N582 HydrophobicContact CB-CB 4.28Å; F577-N582 HydrophobicContact CD1-CB 3.69Å; F577-N582 HydrophobicContact CD2-CB 4.46Å; F577-N582 HydrophobicContact CE1-CB 4.12Å; F577-N582 WeakPolarHBondContact CE2-ND2 3.38Å; F577-N582 HydrophobicContact CG-CB 3.9Å; N582-Q584 PolarHBondContact O-N 2.82Å; N582-Q584 VanDerWaalsContact O-N 3.08Å; N582-Q584 WeakPolarHBondContact OD1-CB 3.43Å; N582-Q584 WeakPolarHBondContact OD1-CG 3.46Å; N582-Q584 PolarHBondContact OD1-N 3.1Å; N582-D585 WeakPolarHBondContact O-CB 3.19Å; N582-D585 PolarHBondContact O-N 2.87Å; N582-Y588 WeakPolarHBondContact O-CB 3.44Å
583P97.8Very high96.1Very high0 Ų036.2 Ų36.20%018%0.179CC..THydrogen-bonded Turntrans-68.5-2.6-179.328.7-34.6000114.3L14 H15 M565 L566 G581 D585 Y589 M592L14-P583 WeakPolarHBondContact CD2-O 3.45Å; H15-P583 PolarHBondContact NE2-O 2.93Å; M565-P583 HydrophobicContact CB-CG 3.67Å; M565-P583 WeakPolarHBondContact O-CD 3.37Å; M565-P583 VanDerWaalsContact O-CG 3.26Å; M565-P583 WeakPolarHBondContact O-CG 3.39Å; L566-P583 HydrophobicContact CD2-CB 3.88Å; L566-P583 HydrophobicContact CD2-CG 3.67Å; L566-P583 HydrophobicContact CG-CB 4.09Å; L566-P583 HydrophobicContact CG-CG 3.7Å; G581-P583 WeakPolarHBondContact O-CD 3.24Å; P583-D585 PolarHBondContact O-N 2.85Å; P583-Y589 HydrophobicContact CB-CD2 4.16Å; P583-Y589 WeakPolarHBondContact O-CB 3.44Å; P583-M592 HydrophobicContact CB-CE 4.32Å; P583-M592 HydrophobicContact CB-SD 4.01Å; P583-M592 HydrophobicContact CG-CE 4.06Å; P583-M592 HydrophobicContact CG-SD 4.24Å
584Q97Very high96.5Very high90 Ų9038.2 Ų38.242%0.42119%0.193SC..THydrogen-bonded Turntrans-63.2-22.6162.5-62.9-66.1-10.300112H15 L566 N582H15-Q584 PolarHBondContact CE1-O 3.46Å; H15-Q584 PolarHBondContact NE2-O 2.7Å; L566-Q584 HydrophobicContact CD2-CG 4.41Å; N582-Q584 PolarHBondContact O-N 2.82Å; N582-Q584 VanDerWaalsContact O-N 3.08Å; N582-Q584 WeakPolarHBondContact OD1-CB 3.43Å; N582-Q584 WeakPolarHBondContact OD1-CG 3.46Å; N582-Q584 PolarHBondContact OD1-N 3.1Å
585D98Very high96.9Very high69 Ų6937.9 Ų37.937%0.36919%0.19SC..SBendtrans-85.8130167.4-176.3-54.4000109.9N582 P583 Q587 Y588 Y589N582-D585 WeakPolarHBondContact O-CB 3.19Å; N582-D585 PolarHBondContact O-N 2.87Å; P583-D585 PolarHBondContact O-N 2.85Å; D585-Q587 VanDerWaalsContact C-N 3.27Å; D585-Q587 PolarHBondContact O-N 3.46Å; D585-Q587 WeakPolarHBondContact OD1-CA 3.49Å; D585-Q587 VanDerWaalsContact OD1-CB 3.24Å; D585-Q587 WeakPolarHBondContact OD1-CB 3.21Å; D585-Q587 PolarHBondContact OD1-N 3.2Å; D585-Y588 HydrophobicContact CB-CD2 3.89Å; D585-Y588 PolarHBondContact O-N 2.7Å; D585-Y589 WeakPolarHBondContact O-CB 3.31Å; D585-Y589 PolarHBondContact O-N 2.85Å
586P97.9Very high97.4Very high71 Ų7137.2 Ų37.246%0.46118%0.184SC..Hα-helixtrans-61.5-29.8-177.925.2-34.7000114H15 E590H15-P586 HydrophobicContact CB-CB 4.48Å; P586-E590 WeakPolarHBondContact O-CG 3.31Å; P586-E590 PolarHBondContact O-N 2.94Å
587Q98.4Very high97.6Very high115 Ų11536 Ų3654%0.53718%0.178SC..Hα-helixtrans-66.9-46.2177.3-174.2179.541.500111.1L499 D585 Y591L499-Q587 VanDerWaalsContact CD1-CD 3.44Å; L499-Q587 HydrophobicContact CD1-CG 4Å; L499-Q587 HydrophobicContact CD2-CG 4.13Å; D585-Q587 VanDerWaalsContact C-N 3.27Å; D585-Q587 PolarHBondContact O-N 3.46Å; D585-Q587 WeakPolarHBondContact OD1-CA 3.49Å; D585-Q587 VanDerWaalsContact OD1-CB 3.24Å; D585-Q587 WeakPolarHBondContact OD1-CB 3.21Å; D585-Q587 PolarHBondContact OD1-N 3.2Å; Q587-Y591 WeakPolarHBondContact O-CB 3.45Å; Q587-Y591 PolarHBondContact O-N 2.89Å; Q587-Y591 VanDerWaalsContact O-N 3.11Å
588Y98.5Very high97.6Very high54 Ų5435.5 Ų35.521%0.21218%0.175CC..Hα-helixtrans-69.5-39.3176.1-73.7-65.4000111.2F498 L499 N582 D585 E590 Y591 M592F498-Y588 HydrophobicContact CB-CE1 4.04Å; F498-Y588 AromaticContact CD1-CE1 3.84Å; F498-Y588 HydrophobicContact CD1-CE1 3.84Å; F498-Y588 HydrophobicContact CG-CE1 4.35Å; L499-Y588 HydrophobicContact CD2-CD1 3.8Å; L499-Y588 HydrophobicContact CD2-CE1 3.88Å; L499-Y588 HydrophobicContact CG-CD1 4.32Å; L499-Y588 HydrophobicContact CG-CE1 3.87Å; N582-Y588 WeakPolarHBondContact O-CB 3.44Å; D585-Y588 HydrophobicContact CB-CD2 3.89Å; D585-Y588 PolarHBondContact O-N 2.7Å; Y588-E590 PolarHBondContact O-N 2.91Å; Y588-Y591 PolarHBondContact O-N 2.86Å; Y588-M592 WeakPolarHBondContact O-CB 3.38Å; Y588-M592 WeakPolarHBondContact O-CG 3.41Å; Y588-M592 PolarHBondContact O-N 2.69Å
589Y98.6Very high97.7Very high2 Ų236.9 Ų36.91%0.00818%0.183CC..Hα-helixtrans-53.3-55.8174.6-176.4-96.1000112.1L14 H15 D17 R19 V562 L566 P583 D585 Y591 M592 K593L14-Y589 HydrophobicContact CB-CE2 4.34Å; L14-Y589 HydrophobicContact CD2-CD2 3.86Å; L14-Y589 HydrophobicContact CD2-CE2 4.08Å; H15-Y589 AromaticContact CD2-CG 3.7Å; D17-Y589 HydrophobicContact CB-CE1 4Å; D17-Y589 WeakPolarHBondContact OD2-CE1 3.4Å; D17-Y589 PolarHBondContact OD2-OH 2.87Å; R19-Y589 WeakPolarHBondContact CD-OH 2.95Å; R19-Y589 PolarHBondContact NE-OH 3.46Å; V562-Y589 HydrophobicContact CG1-CD2 3.95Å; V562-Y589 HydrophobicContact CG1-CE2 3.6Å; L566-Y589 HydrophobicContact CD1-CE2 4.21Å; P583-Y589 HydrophobicContact CB-CD2 4.16Å; P583-Y589 WeakPolarHBondContact O-CB 3.44Å; D585-Y589 WeakPolarHBondContact O-CB 3.31Å; D585-Y589 PolarHBondContact O-N 2.85Å; Y589-Y591 PolarHBondContact O-N 3.32Å; Y589-M592 PolarHBondContact O-N 3.49Å; Y589-K593 HydrophobicContact CE1-CD 4.02Å; Y589-K593 WeakPolarHBondContact O-CB 3.32Å; Y589-K593 PolarHBondContact O-N 2.95Å
590E98.3Very high97.8Very high105 Ų10539.5 Ų39.549%0.49120%0.197SC..Hα-helixtrans-64.2-41.6-178.9-70.6-59.6144.800111.8P586 Y588 S594P586-E590 WeakPolarHBondContact O-CG 3.31Å; P586-E590 PolarHBondContact O-N 2.94Å; Y588-E590 PolarHBondContact O-N 2.91Å; E590-S594 WeakPolarHBondContact O-CB 3.41Å; E590-S594 PolarHBondContact O-N 2.85Å; E590-S594 VanDerWaalsContact O-N 3.09Å
591Y98.7Very high97.7Very high45 Ų4540.7 Ų40.718%0.17620%0.204CC..Hα-helixtrans-66.3-47.5179.2-169-89.2000112F498 L499 K501 K502 Q587 Y588 Y589 S594 Y595F498-Y591 VanDerWaalsContact O-CE1 3.29Å; F498-Y591 WeakPolarHBondContact O-CE1 3.42Å; L499-Y591 HydrophobicContact CB-CE2 4.45Å; L499-Y591 HydrophobicContact CD2-CD1 4.04Å; L499-Y591 HydrophobicContact CD2-CD2 3.98Å; L499-Y591 HydrophobicContact CD2-CG 3.61Å; L499-Y591 VanDerWaalsContact O-CE2 3.23Å; L499-Y591 WeakPolarHBondContact O-CE2 3.38Å; L499-Y591 PolarHBondContact O-OH 2.85Å; K501-Y591 HydrophobicContact CB-CE1 4.23Å; K501-Y591 PolarHBondContact N-OH 2.89Å; K502-Y591 HydrophobicContact CD-CE2 4.42Å; K502-Y591 HydrophobicContact CG-CE1 4.4Å; K502-Y591 PolarHBondContact N-OH 3.23Å; Q587-Y591 WeakPolarHBondContact O-CB 3.45Å; Q587-Y591 PolarHBondContact O-N 2.89Å; Q587-Y591 VanDerWaalsContact O-N 3.11Å; Y588-Y591 PolarHBondContact O-N 2.86Å; Y589-Y591 PolarHBondContact O-N 3.32Å; Y591-S594 WeakPolarHBondContact O-CB 3.45Å; Y591-S594 PolarHBondContact O-N 3.44Å; Y591-S594 PolarHBondContact O-OG 3Å; Y591-Y595 HydrophobicContact CD1-CD1 4.18Å; Y591-Y595 AromaticContact CD1-CE1 3.75Å; Y591-Y595 HydrophobicContact CD1-CE1 3.75Å; Y591-Y595 HydrophobicContact CE1-CD1 4.09Å; Y591-Y595 AromaticContact CE1-CE1 3.79Å; Y591-Y595 HydrophobicContact CE1-CE1 3.79Å; Y591-Y595 VanDerWaalsContact O-CD1 3.25Å; Y591-Y595 WeakPolarHBondContact O-CD1 3.26Å
592M98.3Very high97.7Very high0 Ų044.2 Ų44.20%023%0.226CC..Hα-helixtrans-63-47.2177.3-69.8168.467.300111.5V561 V562 M565 W580 P583 Y588 Y589 S594 Y595 S596V561-M592 HydrophobicContact CG1-CE 3.67Å; V562-M592 HydrophobicContact CG2-CB 4.33Å; M565-M592 HydrophobicContact CB-CE 3.52Å; M565-M592 HydrophobicContact CG-CE 3.58Å; W580-M592 HydrophobicContact CB-CE 4.09Å; W580-M592 HydrophobicContact CB-SD 4.46Å; P583-M592 HydrophobicContact CB-CE 4.32Å; P583-M592 HydrophobicContact CB-SD 4.01Å; P583-M592 HydrophobicContact CG-CE 4.06Å; P583-M592 HydrophobicContact CG-SD 4.24Å; Y588-M592 WeakPolarHBondContact O-CB 3.38Å; Y588-M592 WeakPolarHBondContact O-CG 3.41Å; Y588-M592 PolarHBondContact O-N 2.69Å; Y589-M592 PolarHBondContact O-N 3.49Å; M592-S594 PolarHBondContact O-N 3.05Å; M592-Y595 HydrophobicContact CB-CE1 4.43Å; M592-Y595 HydrophobicContact CG-CE1 4.36Å; M592-Y595 PolarHBondContact O-N 2.74Å; M592-S596 WeakPolarHBondContact O-CB 3.31Å; M592-S596 PolarHBondContact O-N 3.22Å
593K98Very high97.7Very high56 Ų5645.8 Ų45.824%0.24325%0.245CC..Hα-helixtrans-57.2-32.9176.4-174.7-179171.7-171.10112.1D17 V562 Y589 Y595 N600D17-K593 IonicContact OD1-NZ 3.3Å; D17-K593 PolarHBondContact OD1-NZ 3.49Å; D17-K593 IonicContact OD2-NZ 3Å; D17-K593 PolarHBondContact OD2-NZ 2.92Å; V562-K593 HydrophobicContact CG2-CB 4Å; Y589-K593 HydrophobicContact CE1-CD 4.02Å; Y589-K593 WeakPolarHBondContact O-CB 3.32Å; Y589-K593 PolarHBondContact O-N 2.95Å; K593-Y595 PolarHBondContact O-N 3.04Å; K593-N600 PolarHBondContact O-ND2 3.17Å
594S98.3Very high97.6Very high44 Ų4449.4 Ų49.431%0.30826%0.262SS..THydrogen-bonded Turntrans-71.4-8.6179.280.10000115.5K502 E590 Y591 M592K502-S594 WeakPolarHBondContact CE-OG 3.22Å; K502-S594 PolarHBondContact NZ-OG 2.87Å; E590-S594 WeakPolarHBondContact O-CB 3.41Å; E590-S594 PolarHBondContact O-N 2.85Å; E590-S594 VanDerWaalsContact O-N 3.09Å; Y591-S594 WeakPolarHBondContact O-CB 3.45Å; Y591-S594 PolarHBondContact O-N 3.44Å; Y591-S594 PolarHBondContact O-OG 3Å; M592-S594 PolarHBondContact O-N 3.05Å
595Y98.2Very high97.7Very high3 Ų349.2 Ų49.21%0.01228%0.276CS..THydrogen-bonded Turntrans-129-15.9172.470-105.2000114.2K501 K502 F505 M536 V540 V561 Y591 M592 K593 P597K501-Y595 HydrophobicContact CB-CE1 4.16Å; K501-Y595 HydrophobicContact CG-CE1 4.28Å; K501-Y595 HydrophobicContact CG-CE2 4.38Å; K502-Y595 HydrophobicContact CG-CD1 4.4Å; F505-Y595 HydrophobicContact CE2-CD1 4.24Å; F505-Y595 AromaticContact CE2-CD2 3.72Å; F505-Y595 HydrophobicContact CE2-CD2 3.72Å; F505-Y595 HydrophobicContact CE2-CE2 4.4Å; F505-Y595 AromaticContact CE2-CG 3.65Å; F505-Y595 HydrophobicContact CE2-CG 3.65Å; F505-Y595 AromaticContact CZ-CD2 3.74Å; F505-Y595 HydrophobicContact CZ-CD2 3.74Å; F505-Y595 HydrophobicContact CZ-CE2 4.17Å; F505-Y595 HydrophobicContact CZ-CG 4.17Å; M536-Y595 HydrophobicContact CE-CE2 4.43Å; M536-Y595 HydrophobicContact SD-CD2 4.27Å; M536-Y595 HydrophobicContact SD-CE2 3.71Å; V540-Y595 HydrophobicContact CG2-CD2 4.4Å; V540-Y595 WeakPolarHBondContact CG2-O 3.2Å; V561-Y595 HydrophobicContact CG1-CE2 4.23Å; Y591-Y595 HydrophobicContact CD1-CD1 4.18Å; Y591-Y595 AromaticContact CD1-CE1 3.75Å; Y591-Y595 HydrophobicContact CD1-CE1 3.75Å; Y591-Y595 HydrophobicContact CE1-CD1 4.09Å; Y591-Y595 AromaticContact CE1-CE1 3.79Å; Y591-Y595 HydrophobicContact CE1-CE1 3.79Å; Y591-Y595 VanDerWaalsContact O-CD1 3.25Å; Y591-Y595 WeakPolarHBondContact O-CD1 3.26Å; M592-Y595 HydrophobicContact CB-CE1 4.43Å; M592-Y595 HydrophobicContact CG-CE1 4.36Å; M592-Y595 PolarHBondContact O-N 2.74Å; K593-Y595 PolarHBondContact O-N 3.04Å; Y595-P597 VanDerWaalsContact O-CD 3.29Å; Y595-P597 WeakPolarHBondContact O-CD 3.44Å
596S97.8Very high97.7Very high0 Ų049.6 Ų49.60%027%0.273CS..  trans-46.7114.2179.5179.10000111.2V561 M592 Y598 D599 N600V561-S596 PolarHBondContact N-OG 3.03Å; M592-S596 WeakPolarHBondContact O-CB 3.31Å; M592-S596 PolarHBondContact O-N 3.22Å; S596-Y598 VanDerWaalsContact C-N 3.32Å; S596-Y598 PolarHBondContact O-N 2.65Å; S596-D599 WeakPolarHBondContact CB-OD2 3.19Å; S596-D599 PolarHBondContact O-N 3.44Å; S596-D599 PolarHBondContact OG-OD2 2.89Å; S596-N600 PolarHBondContact O-N 3.12Å; S596-N600 PolarHBondContact O-ND2 3.39Å
597P97.9Very high97.7Very high0 Ų047 Ų470%026%0.256CS..THydrogen-bonded Turntrans-56.2-43.4-171.8-29.634.7000113.7M536 V540 N543 V559 Y595 N600 V601M536-P597 HydrophobicContact CG-CG 4.02Å; V540-P597 HydrophobicContact CG2-CG 3.88Å; N543-P597 WeakPolarHBondContact ND2-CA 3.47Å; N543-P597 PolarHBondContact ND2-O 2.91Å; V559-P597 HydrophobicContact CB-CB 4.01Å; V559-P597 HydrophobicContact CB-CG 4.31Å; V559-P597 HydrophobicContact CG1-CB 4.22Å; V559-P597 HydrophobicContact CG1-CG 4.34Å; V559-P597 WeakPolarHBondContact O-CD 3.21Å; Y595-P597 VanDerWaalsContact O-CD 3.29Å; Y595-P597 WeakPolarHBondContact O-CD 3.44Å; P597-N600 PolarHBondContact O-N 3.34Å; P597-V601 WeakPolarHBondContact O-CG2 3.37Å; P597-V601 PolarHBondContact O-N 3.17Å
598Y96.3Very high97.6Very high25 Ų2547.9 Ų47.910%0.09826%0.26CS..THydrogen-bonded Turntrans-63.2-44.3-179.9179-122.8000112.7D21 Y23 V559 D560 S596 N600 A627D21-Y598 PolarHBondContact OD1-OH 2.72Å; Y23-Y598 HydrophobicContact CD2-CE2 4.18Å; Y23-Y598 VanDerWaalsContact CD2-OH 3.32Å; Y23-Y598 WeakPolarHBondContact CD2-OH 3.26Å; V559-Y598 VanDerWaalsContact O-CB 3.31Å; V559-Y598 WeakPolarHBondContact O-CB 3.4Å; V559-Y598 PolarHBondContact O-N 2.81Å; D560-Y598 HydrophobicContact CB-CD1 4.44Å; S596-Y598 VanDerWaalsContact C-N 3.32Å; S596-Y598 PolarHBondContact O-N 2.65Å; Y598-N600 PolarHBondContact O-N 3.25Å; Y598-A627 HydrophobicContact CD2-CB 3.85Å; Y598-A627 HydrophobicContact CE2-CB 3.34Å
599D96.2Very high97.6Very high49 Ų4948.5 Ų48.526%0.26227%0.266SS..THydrogen-bonded Turntrans-70.4-19.6-179.5-60.1-86.8000113.2R19 S596R19-D599 WeakPolarHBondContact CD-OD1 3.27Å; R19-D599 IonicContact CZ-OD1 2.63Å; R19-D599 IonicContact NE-OD1 2.58Å; R19-D599 IonicContact NH1-OD1 3.61Å; R19-D599 PolarHBondContact NH1-OD1 3.28Å; R19-D599 IonicContact NH1-OD2 3.51Å; S596-D599 WeakPolarHBondContact CB-OD2 3.19Å; S596-D599 PolarHBondContact O-N 3.44Å; S596-D599 PolarHBondContact OG-OD2 2.89Å
600N97.6Very high97.5Very high57 Ų5752.3 Ų52.331%0.30529%0.287SS..THydrogen-bonded Turntrans-105.47.3-175.3-71.9-86.6000114.4K593 S596 P597 Y598 T602K593-N600 PolarHBondContact O-ND2 3.17Å; S596-N600 PolarHBondContact O-N 3.12Å; S596-N600 PolarHBondContact O-ND2 3.39Å; P597-N600 PolarHBondContact O-N 3.34Å; Y598-N600 PolarHBondContact O-N 3.25Å; N600-T602 PolarHBondContact O-N 2.92Å; N600-T602 VanDerWaalsContact O-N 3.16Å
601V96.8Very high97.3Very high25 Ų2549.6 Ų49.615%0.15228%0.277CS..  trans-70114.6175.1-164.40000110.1P597 Y606 L628 T631P597-V601 WeakPolarHBondContact O-CG2 3.37Å; P597-V601 PolarHBondContact O-N 3.17Å; V601-Y606 HydrophobicContact CG1-CE2 4.11Å; V601-Y606 WeakPolarHBondContact CG1-OH 3.47Å; V601-L628 HydrophobicContact CG2-CD2 3.47Å; V601-L628 VanDerWaalsContact CG2-CD2 3.47Å; V601-T631 HydrophobicContact CB-CG2 4.45Å; V601-T631 VanDerWaalsContact CB-OG1 3.3Å; V601-T631 WeakPolarHBondContact CB-OG1 3.44Å; V601-T631 WeakPolarHBondContact CG1-OG1 3.25Å; V601-T631 PolarHBondContact O-OG1 3.48Å
602T96.1Very high97.1Very high75 Ų7550.3 Ų50.346%0.4629%0.286SS..  trans-107.7166.6176.866.30000112.3N600 Q604 Y606N600-T602 PolarHBondContact O-N 2.92Å; N600-T602 VanDerWaalsContact O-N 3.16Å; T602-Q604 VanDerWaalsContact C-N 3.34Å; T602-Q604 PolarHBondContact O-N 2.78Å; T602-Y606 PolarHBondContact N-OH 3Å; T602-Y606 WeakPolarHBondContact O-CE2 2.87Å; T602-Y606 PolarHBondContact O-OH 3.03Å
603A96.9Very high96.7Very high76 Ų7653.3 Ų53.363%0.62831%0.305SS*.SBendtrans-7485.8174.800000110.5K632A603-K632 HydrophobicContact CB-CB 4.19Å
604Q96.8Very high96.1Very high76 Ų7652 Ų5236%0.35531%0.307SS..SBendtrans-141.6169.917963.1-177.1-12.800110.8N543 T602 Y606N543-Q604 PolarHBondContact O-NE2 2.64Å; T602-Q604 VanDerWaalsContact C-N 3.34Å; T602-Q604 PolarHBondContact O-N 2.78Å; Q604-Y606 HydrophobicContact CG-CD2 4.09Å; Q604-Y606 HydrophobicContact CG-CE1 4.32Å; Q604-Y606 HydrophobicContact CG-CE2 3.42Å; Q604-Y606 VanDerWaalsContact CG-CE2 3.42Å; Q604-Y606 PolarHBondContact NE2-OH 2.7Å; Q604-Y606 VanDerWaalsContact O-CD2 3.31Å; Q604-Y606 WeakPolarHBondContact O-CD2 3.42Å
605A97.5Very high95.5Very high87 Ų8753 Ų5372%0.71931%0.308SS*.  trans-74.6137.4170.700000109.8P546P546-A605 WeakPolarHBondContact CB-O 3.26Å; P546-A605 WeakPolarHBondContact CG-O 3.48Å
606Y97.9Very high94.6Very high77 Ų7757.1 Ų57.130%0.30233%0.328SS..  trans-119.3156.9176.1-73.7-89.7000110.5I542 N543 P546 V601 T602 Q604I542-Y606 HydrophobicContact CB-CD1 4.14Å; I542-Y606 HydrophobicContact CD1-CD1 4.2Å; I542-Y606 HydrophobicContact CG1-CD1 4.1Å; I542-Y606 HydrophobicContact CG1-CE1 4.27Å; I542-Y606 WeakPolarHBondContact O-CE1 3.45Å; N543-Y606 WeakPolarHBondContact OD1-CE1 3.42Å; N543-Y606 PolarHBondContact OD1-OH 3.12Å; P546-Y606 HydrophobicContact CB-CD1 4.42Å; V601-Y606 HydrophobicContact CG1-CE2 4.11Å; V601-Y606 WeakPolarHBondContact CG1-OH 3.47Å; T602-Y606 PolarHBondContact N-OH 3Å; T602-Y606 WeakPolarHBondContact O-CE2 2.87Å; T602-Y606 PolarHBondContact O-OH 3.03Å; Q604-Y606 HydrophobicContact CG-CD2 4.09Å; Q604-Y606 HydrophobicContact CG-CE1 4.32Å; Q604-Y606 HydrophobicContact CG-CE2 3.42Å; Q604-Y606 VanDerWaalsContact CG-CE2 3.42Å; Q604-Y606 PolarHBondContact NE2-OH 2.7Å; Q604-Y606 VanDerWaalsContact O-CD2 3.31Å; Q604-Y606 WeakPolarHBondContact O-CD2 3.42Å
607P98.2Very high93.4Very high17 Ų1759 Ų5911%0.1134%0.337CS..  trans-62.9168.4173.527.8-36.9000112.3I542 F549 V552 L609I542-P607 HydrophobicContact CB-CG 4.21Å; I542-P607 HydrophobicContact CG2-CG 3.67Å; F549-P607 HydrophobicContact CB-CB 4.06Å; F549-P607 HydrophobicContact CB-CG 4.3Å; F549-P607 WeakPolarHBondContact O-CB 3.41Å; V552-P607 HydrophobicContact CB-CG 4.48Å; V552-P607 HydrophobicContact CG2-CB 4.16Å; V552-P607 HydrophobicContact CG2-CG 3.7Å; P607-L609 PolarHBondContact O-N 3.26Å
608H97.6Very high91.9Very high132 Ų13260.1 Ų60.161%0.61135%0.345SS*.EExtended strand (participates in β ladder)trans-59.6129.3166.1-63.1-62.8000109.6H550 G551 V552H550-H608 AromaticContact NE2-CD2 3.83Å; H550-H608 PolarHBondContact O-CD2 3.48Å; H550-H608 VanDerWaalsContact O-CD2 3.25Å; H550-H608 PolarHBondContact O-N 2.73Å; H550-H608 VanDerWaalsContact O-N 3.15Å; G551-H608 CarbonylContact C-O 3.57Å; G551-H608 WeakPolarHBondContact CA-O 3.26Å; V552-H608 PolarHBondContact N-O 2.83Å
609L97Very high90.3Very high68 Ų6864.2 Ų64.236%0.35637%0.365SS..EExtended strand (participates in β ladder)trans-125.5129.3-172-176.465.8000111I542 V552 A554 P607 V611I542-L609 HydrophobicContact CD1-CD1 4.38Å; I542-L609 HydrophobicContact CD1-CD2 4.31Å; V552-L609 HydrophobicContact CB-CD1 3.91Å; V552-L609 HydrophobicContact CG1-CD1 4Å; V552-L609 WeakPolarHBondContact O-CA 3.38Å; A554-L609 HydrophobicContact CB-CD1 4.39Å; P607-L609 PolarHBondContact O-N 3.26Å; L609-V611 HydrophobicContact CD1-CG2 4.25Å; L609-V611 HydrophobicContact CD2-CG2 3.69Å; L609-V611 HydrophobicContact CG-CG2 3.71Å
610L96.3Very high88.3Confident82 Ų8262.4 Ų62.443%0.42936%0.357SS..EExtended strand (participates in β ladder)trans-111.5116.7165.3176.462.3000108.6V552 I553 A554 T612V552-L610 PolarHBondContact O-N 3.1Å; I553-L610 WeakPolarHBondContact CA-O 3.01Å; A554-L610 PolarHBondContact N-O 2.85Å; L610-T612 HydrophobicContact CD1-CG2 4.49Å; L610-T612 HydrophobicContact CG-CG2 4.29Å
611V95.9Very high86.4Confident48 Ų4860.7 Ų60.729%0.29135%0.348SS..EExtended strand (participates in β ladder)trans-108.5131.1173.5-172.70000108.8A554 P557 L609 L625A554-V611 WeakPolarHBondContact O-CA 3.41Å; P557-V611 HydrophobicContact CG-CG1 4Å; L609-V611 HydrophobicContact CD1-CG2 4.25Å; L609-V611 HydrophobicContact CD2-CG2 3.69Å; L609-V611 HydrophobicContact CG-CG2 3.71Å; V611-L625 HydrophobicContact CG1-CB 4.49Å; V611-L625 HydrophobicContact CG1-CD2 4.31Å
612T93.6Very high84.2Confident59 Ų5960 Ų6036%0.36234%0.344SS..EExtended strand (participates in β ladder)trans-118.6148.2175.365.70000110.9A554 Q555 V556 L610A554-T612 PolarHBondContact O-N 3.4Å; A554-T612 VanDerWaalsContact O-N 3.17Å; Q555-T612 WeakPolarHBondContact CA-OG1 3.46Å; V556-T612 WeakPolarHBondContact CA-O 3.39Å; V556-T612 PolarHBondContact N-O 3.25Å; L610-T612 HydrophobicContact CD1-CG2 4.49Å; L610-T612 HydrophobicContact CG-CG2 4.29Å
613T89.8Confident81.8Confident64 Ų6457.8 Ų57.839%0.39333%0.331SS..  trans-155.5172.5175.2-165.50000112.2A622 L625T613-A622 HydrophobicContact CG2-CB 4.17Å; T613-A622 WeakPolarHBondContact OG1-CA 3.48Å; T613-L625 HydrophobicContact CG2-CD1 4.1Å; T613-L625 WeakPolarHBondContact OG1-CD1 3.43Å
614G85.8Confident79.7Confident28 Ų2855 Ų5529%0.28931%0.305SS..  trans-131.4134.317400000112.1H616 D617G614-H616 VanDerWaalsContact C-N 3.26Å; G614-H616 PolarHBondContact O-N 2.75Å; G614-D617 VanDerWaalsContact O-CB 3.3Å; G614-D617 WeakPolarHBondContact O-CB 3.39Å; G614-D617 PolarHBondContact O-N 2.92Å; G614-D617 VanDerWaalsContact O-N 3.15Å
615L85.5Confident77.5Confident64 Ų6451.8 Ų51.834%0.33529%0.29SS..THydrogen-bonded Turntrans-58.4-36.6-178.6-177.964000113.2R31 L37 L40R31-L615 HydrophobicContact CB-CD1 4.07Å; R31-L615 HydrophobicContact CB-CG 4.25Å; R31-L615 WeakPolarHBondContact CD-O 3.47Å; R31-L615 HydrophobicContact CG-CD1 4.18Å; R31-L615 HydrophobicContact CG-CG 4.47Å; R31-L615 PolarHBondContact NE-O 2.83Å; L37-L615 HydrophobicContact CD2-CD1 4.26Å; L37-L615 HydrophobicContact CD2-CD2 4.05Å; L40-L615 HydrophobicContact CD1-CD1 4.1Å
616H79.8Confident75.2Confident91 Ų9148.5 Ų48.542%0.42126%0.261SS..THydrogen-bonded Turntrans-998.8-179-63.8-58.3000113.9G614 S618G614-H616 VanDerWaalsContact C-N 3.26Å; G614-H616 PolarHBondContact O-N 2.75Å; H616-S618 PolarHBondContact O-N 3.35Å
617D73Confident72.5Confident38 Ų3845.2 Ų45.220%0.20325%0.25CC..  trans-61.1127.4172-165-31.1000109.5V556 G614 Q619 A620V556-D617 WeakPolarHBondContact CG1-OD2 3.39Å; G614-D617 VanDerWaalsContact O-CB 3.3Å; G614-D617 WeakPolarHBondContact O-CB 3.39Å; G614-D617 PolarHBondContact O-N 2.92Å; G614-D617 VanDerWaalsContact O-N 3.15Å; D617-Q619 WeakPolarHBondContact OD1-CA 3.47Å; D617-Q619 WeakPolarHBondContact OD1-CB 3.41Å; D617-Q619 PolarHBondContact OD1-N 3.33Å; D617-A620 PolarHBondContact OD1-N 3.11Å
618S66.1Low69.7Low24 Ų2446 Ų4617%0.16825%0.253CS..SBendtrans-104.3-0.6178.256.50000113.5R151 H616R151-S618 PolarHBondContact NE-OG 3.15Å; R151-S618 PolarHBondContact NH2-OG 3.31Å; H616-S618 PolarHBondContact O-N 3.35Å
619Q61.1Low66.9Low111 Ų11143.5 Ų43.552%0.51924%0.244SC..SBendtrans-97.2-39.2177.9-112166.48.200112.1R151 L572 D617R151-Q619 VanDerWaalsContact NH1-CD 3.27Å; R151-Q619 VanDerWaalsContact NH2-CG 3.33Å; L572-Q619 HydrophobicContact CD1-CG 4.22Å; L572-Q619 WeakPolarHBondContact CD1-O 3.28Å; D617-Q619 WeakPolarHBondContact OD1-CA 3.47Å; D617-Q619 WeakPolarHBondContact OD1-CB 3.41Å; D617-Q619 PolarHBondContact OD1-N 3.33Å
620A56.1Low64.1Low11 Ų1143.2 Ų43.29%0.09124%0.239CC..SBendtrans-130.3117.9169.500000108.8V556 D617 A622V556-A620 HydrophobicContact CB-CB 4.33Å; V556-A620 WeakPolarHBondContact O-CB 3.01Å; D617-A620 PolarHBondContact OD1-N 3.11Å; A620-A622 PolarHBondContact O-N 2.64Å
621M57.7Low60.9Low22 Ų2241.9 Ų41.911%0.10823%0.234CC..  trans-61.4124.5178.1-68.7-160.3176.600109.7I570 V623 N624I570-M621 HydrophobicContact CB-CE 3.86Å; I570-M621 HydrophobicContact CD1-CE 4.44Å; I570-M621 HydrophobicContact CD1-SD 4.31Å; I570-M621 HydrophobicContact CG1-CE 3.61Å; I570-M621 HydrophobicContact CG1-SD 4.1Å; I570-M621 HydrophobicContact CG2-CE 3.7Å; I570-M621 HydrophobicContact CG2-SD 4.31Å; M621-V623 PolarHBondContact O-N 2.61Å; M621-N624 PolarHBondContact O-N 3.11Å
622A49.6Very low57.7Low9 Ų947.8 Ų47.87%0.07426%0.256CS..THydrogen-bonded Turntrans-50.2-26179.800000113.8T613 A620 L625 V626T613-A622 HydrophobicContact CG2-CB 4.17Å; T613-A622 WeakPolarHBondContact OG1-CA 3.48Å; A620-A622 PolarHBondContact O-N 2.64Å; A622-L625 WeakPolarHBondContact O-CB 3.36Å; A622-V626 WeakPolarHBondContact O-CG2 3.29Å
623V46.2Very low54.6Low29 Ų2953.5 Ų53.518%0.17631%0.309CS..Hα-helixtrans-68.7-36.8-177.2179.40000112.8L26 R27 M621 L625 V626L26-V623 HydrophobicContact CB-CG1 3.85Å; L26-V623 WeakPolarHBondContact O-CG1 3.34Å; L26-V623 VanDerWaalsContact O-CG2 3.23Å; L26-V623 WeakPolarHBondContact O-CG2 3.45Å; R27-V623 VanDerWaalsContact CA-CG1 3.41Å; R27-V623 HydrophobicContact CB-CG1 3.81Å; M621-V623 PolarHBondContact O-N 2.61Å; V623-L625 PolarHBondContact O-N 2.94Å; V623-V626 PolarHBondContact O-N 2.87Å
624N51.3Low52.8Low17 Ų1753 Ų539%0.09131%0.305CS..Hα-helixtrans-60.6-15.9-176.2-69.4-1.4000111.9V559 D560 T564 M621V559-N624 WeakPolarHBondContact CG2-O 3.19Å; D560-N624 HydrophobicContact CB-CB 4.06Å; T564-N624 PolarHBondContact OG1-ND2 3.49Å; M621-N624 PolarHBondContact O-N 3.11Å
625L51.6Low51.1Low9 Ų954.3 Ų54.35%0.04731%0.305CS..Hα-helixtrans-97.5-34.2-166.8-63.6174.2000114.3P557 V559 V611 T613 A622 V623 A627 L628P557-L625 HydrophobicContact CB-CD2 4.14Å; P557-L625 HydrophobicContact CG-CD2 3.16Å; P557-L625 WeakPolarHBondContact O-CD2 3.46Å; V559-L625 HydrophobicContact CG2-CD2 3.93Å; V611-L625 HydrophobicContact CG1-CB 4.49Å; V611-L625 HydrophobicContact CG1-CD2 4.31Å; T613-L625 HydrophobicContact CG2-CD1 4.1Å; T613-L625 WeakPolarHBondContact OG1-CD1 3.43Å; A622-L625 WeakPolarHBondContact O-CB 3.36Å; V623-L625 PolarHBondContact O-N 2.94Å; L625-A627 PolarHBondContact O-N 2.89Å; L625-L628 PolarHBondContact O-N 2.81Å
626V50.1Low49.2Very low18 Ų1853.7 Ų53.711%0.10930%0.304CS..Hα-helixtrans-78-12.9-169.3-142.20000111.9L26 Y39 L40 E43 A622 V623L26-V626 HydrophobicContact CD1-CB 3.96Å; Y39-V626 HydrophobicContact CD1-CG1 3.85Å; Y39-V626 HydrophobicContact CE1-CB 3.85Å; Y39-V626 HydrophobicContact CE1-CG1 3.1Å; L40-V626 HydrophobicContact CD2-CG1 4.36Å; L40-V626 HydrophobicContact CD2-CG2 3.66Å; E43-V626 HydrophobicContact CG-CG1 4.38Å; A622-V626 WeakPolarHBondContact O-CG2 3.29Å; V623-V626 PolarHBondContact O-N 2.87Å
627A39.6Very low47.4Very low8 Ų851.5 Ų51.57%0.06630%0.297CS..G310 helixtrans-75.4-25.2175.500000113.4Y23 Y598 L625 N629Y23-A627 HydrophobicContact CD2-CB 3.84Å; Y23-A627 HydrophobicContact CG-CB 4.2Å; Y598-A627 HydrophobicContact CD2-CB 3.85Å; Y598-A627 HydrophobicContact CE2-CB 3.34Å; L625-A627 PolarHBondContact O-N 2.89Å; A627-N629 VanDerWaalsContact C-N 3.27Å; A627-N629 PolarHBondContact O-N 3.22Å
628L40.7Very low45.8Very low33 Ų3352.4 Ų52.417%0.17330%0.303CS..G310 helixtrans-69.5-20.4-177.6-86.6179.3000114.2V559 V601 L625 R630V559-L628 HydrophobicContact CB-CD1 3.55Å; V559-L628 HydrophobicContact CB-CG 4.21Å; V559-L628 HydrophobicContact CG1-CD1 3.55Å; V559-L628 HydrophobicContact CG2-CD1 3.51Å; V559-L628 HydrophobicContact CG2-CG 3.93Å; V601-L628 HydrophobicContact CG2-CD2 3.47Å; V601-L628 VanDerWaalsContact CG2-CD2 3.47Å; L625-L628 PolarHBondContact O-N 2.81Å; L628-R630 VanDerWaalsContact C-N 3.27Å; L628-R630 PolarHBondContact O-N 2.91Å
629N38.4Very low44.4Very low81 Ų8154.3 Ų54.343%0.43331%0.312SS..G310 helixtrans-73.4-13.2-166.3-116.6-6.3000114.3E43 A627E43-N629 PolarHBondContact OE1-ND2 3.1Å; A627-N629 VanDerWaalsContact C-N 3.27Å; A627-N629 PolarHBondContact O-N 3.22Å
630R37.5Very low43.2Very low62 Ų6250.2 Ų50.223%0.23430%0.297CS..  trans-154.694.8-174.3-62.7-167.7-174.2164.528115.6L2 P3 Y23 L628L2-R630 VanDerWaalsContact CD2-NH2 3.31Å; L2-R630 PolarHBondContact O-NH1 3.15Å; P3-R630 PolarHBondContact O-NH1 3.33Å; P3-R630 PolarHBondContact O-NH2 3.3Å; Y23-R630 PolarHBondContact OH-O 3.04Å; L628-R630 VanDerWaalsContact C-N 3.27Å; L628-R630 PolarHBondContact O-N 2.91Å
631T30.3Very low42.2Very low54 Ų5453.2 Ų53.233%0.33131%0.313SS..SBendtrans-115.4100.815048.70000109.5V601V601-T631 HydrophobicContact CB-CG2 4.45Å; V601-T631 VanDerWaalsContact CB-OG1 3.3Å; V601-T631 WeakPolarHBondContact CB-OG1 3.44Å; V601-T631 WeakPolarHBondContact CG1-OG1 3.25Å; V601-T631 PolarHBondContact O-OG1 3.48Å
632K27.6Very low41Very low171 Ų17155.8 Ų55.874%0.74333%0.33SS*.  trans55.573167-60.2-178.4179.4177.30116.7A603A603-K632 HydrophobicContact CB-CB 4.19Å
633A28.5Very low40.2Very low179 Ų17960.1 Ų60.1100%1.47935%0.353SS*.  trans-96.60139.300000109.2

Retrieved 633 of 633 residues in 411.9 ms (Link to these results)

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