A0A077Z1U0_TRITR Loading...

Glycine N-acyltransferase-like protein

AlphaFold DB , UniProt , Accession A0A077Z1U0, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 296 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
1M87.3Confident93.5Very high75 Ų7566.3 Ų66.337%0.36936%0.355SS..  0135.30-64.4-64.4-59.600108.9F49 A50 D51 L60 V93 A96 F97M1-F49 HydrophobicContact CE-CB 4.13Å; M1-A50 CarbonylContact C-O 3.53Å; M1-A50 WeakPolarHBondContact CA-O 3.46Å; M1-A50 VanDerWaalsContact CE-C 3.43Å; M1-A50 WeakPolarHBondContact CE-O 3.41Å; M1-D51 HydrophobicContact CE-CB 4.33Å; M1-D51 WeakPolarHBondContact SD-CA 3.15Å; M1-D51 HydrophobicContact SD-CB 3.99Å; M1-L60 HydrophobicContact CE-CD1 3.89Å; M1-V93 HydrophobicContact CE-CG2 3.83Å; M1-V93 HydrophobicContact SD-CG2 3.84Å; M1-A96 HydrophobicContact CB-CB 4.42Å; M1-A96 HydrophobicContact CG-CB 3.55Å; M1-F97 HydrophobicContact CB-CE2 3.69Å; M1-F97 HydrophobicContact CB-CZ 4.07Å; M1-F97 HydrophobicContact CE-CD2 4.19Å; M1-F97 HydrophobicContact CE-CE2 3.53Å; M1-F97 HydrophobicContact CE-CZ 4.5Å; M1-F97 HydrophobicContact CG-CD2 4.21Å; M1-F97 HydrophobicContact CG-CE2 3.48Å; M1-F97 VanDerWaalsContact CG-CE2 3.48Å; M1-F97 HydrophobicContact CG-CZ 4.34Å; M1-F97 HydrophobicContact SD-CE2 4.15Å
2H91.2Very high93.8Very high97 Ų9760.8 Ų60.845%0.44933%0.326SS..EExtended strand (participates in β ladder)trans-103.4117.3-179.9-65.6-93.6000109.6L4 F49 A50H2-L4 HydrophobicContact CB-CD2 4.46Å; H2-L4 PolarHBondContact O-N 3.22Å; H2-F49 CarbonylContact O-C 3.59Å; H2-F49 VanDerWaalsContact O-CA 3.26Å; H2-F49 WeakPolarHBondContact O-CA 3.28Å; H2-A50 PolarHBondContact N-O 3.35Å; H2-A50 PolarHBondContact O-N 3.29Å
3R94.5Very high94.1Very high161 Ų16161.2 Ų61.261%0.60832%0.32SS*.EExtended strand (participates in β ladder)trans-70.5126.9168.7-174.4175.7177.2178.50.1109L47 F49R3-L47 VanDerWaalsContact NH2-CD2 3.29Å; R3-F49 HydrophobicContact CB-CD1 3.77Å; R3-F49 HydrophobicContact CB-CE1 3.71Å; R3-F49 HydrophobicContact CG-CD1 4.08Å; R3-F49 HydrophobicContact CG-CE1 3.73Å; R3-F49 HydrophobicContact CG-CZ 4.4Å
4L94.2Very high94.3Very high4 Ų462.4 Ų62.42%0.02133%0.327CS..EExtended strand (participates in β ladder)trans-98116.1-178.8-57.2-176.5000109.4H2 F8 L12 L48 A50 W53H2-L4 HydrophobicContact CB-CD2 4.46Å; H2-L4 PolarHBondContact O-N 3.22Å; L4-F8 HydrophobicContact CB-CB 4.35Å; L4-F8 HydrophobicContact CD2-CB 4.42Å; L4-F8 HydrophobicContact CD2-CD2 4.46Å; L4-F8 HydrophobicContact CD2-CG 4.27Å; L4-L12 HydrophobicContact CD1-CD2 3.77Å; L4-L48 HydrophobicContact CB-CB 4.22Å; L4-L48 PolarHBondContact N-O 2.8Å; L4-A50 HydrophobicContact CD1-CB 4.03Å; L4-A50 HydrophobicContact CD2-CB 4.23Å; L4-A50 HydrophobicContact CG-CB 4.25Å; L4-W53 HydrophobicContact CD1-CE3 4.38Å; L4-W53 HydrophobicContact CD1-CZ3 4.2Å; L4-W53 HydrophobicContact CD2-CD2 4.17Å; L4-W53 HydrophobicContact CD2-CE3 3.87Å; L4-W53 HydrophobicContact CD2-CZ3 4.31Å
5S92.2Very high94.6Very high59 Ų5960 Ų6041%0.41331%0.314SS..PPolyproline II helixtrans-75.8166.8166.552.20000111.7T7 F8S5-T7 PolarHBondContact O-N 3.2Å; S5-T7 VanDerWaalsContact O-N 3.09Å; S5-T7 PolarHBondContact OG-OG1 3.32Å; S5-F8 WeakPolarHBondContact O-CB 3.48Å; S5-F8 PolarHBondContact O-N 3.06Å; S5-F8 WeakPolarHBondContact OG-CD2 3.37Å; S5-F8 WeakPolarHBondContact OG-CE2 2.75Å
6T91.7Very high94.7Very high48 Ų4856.3 Ų56.329%0.29430%0.295SS..G310 helixtrans-56.4-27.7179.659.50000113F8 Y9 E37 P45T6-F8 PolarHBondContact O-N 3.12Å; T6-F8 VanDerWaalsContact O-N 3.17Å; T6-Y9 HydrophobicContact CG2-CD2 4.39Å; T6-Y9 HydrophobicContact CG2-CE2 3.72Å; T6-Y9 WeakPolarHBondContact O-CB 3.3Å; T6-Y9 PolarHBondContact O-N 3.04Å; T6-E37 VanDerWaalsContact CB-OE1 3.31Å; T6-E37 WeakPolarHBondContact CB-OE1 3.39Å; T6-E37 WeakPolarHBondContact CG2-OE1 3.45Å; T6-P45 HydrophobicContact CG2-CB 3.72Å
7T92.8Very high94.9Very high110 Ų11058.6 Ų58.668%0.67530%0.304SS*.G310 helixtrans-58.5-24.7172.456.30000114.3S5S5-T7 PolarHBondContact O-N 3.2Å; S5-T7 VanDerWaalsContact O-N 3.09Å; S5-T7 PolarHBondContact OG-OG1 3.32Å
8F95.5Very high95Very high67 Ų6764.7 Ų64.729%0.29433%0.327SS..G310 helixtrans-87.4-14.4177.5-66.4-82.8000113.1L4 S5 T6 A11 L12 W53L4-F8 HydrophobicContact CB-CB 4.35Å; L4-F8 HydrophobicContact CD2-CB 4.42Å; L4-F8 HydrophobicContact CD2-CD2 4.46Å; L4-F8 HydrophobicContact CD2-CG 4.27Å; S5-F8 WeakPolarHBondContact O-CB 3.48Å; S5-F8 PolarHBondContact O-N 3.06Å; S5-F8 WeakPolarHBondContact OG-CD2 3.37Å; S5-F8 WeakPolarHBondContact OG-CE2 2.75Å; T6-F8 PolarHBondContact O-N 3.12Å; T6-F8 VanDerWaalsContact O-N 3.17Å; F8-A11 PolarHBondContact O-N 3.27Å; F8-A11 VanDerWaalsContact O-N 3.13Å; F8-L12 PolarHBondContact O-N 2.95Å; F8-W53 HydrophobicContact CB-CH2 4.41Å; F8-W53 HydrophobicContact CB-CZ2 4.35Å; F8-W53 HydrophobicContact CD1-CD2 4.34Å; F8-W53 AromaticContact CD1-CE2 3.53Å; F8-W53 HydrophobicContact CD1-CH2 4.37Å; F8-W53 AromaticContact CD1-CZ2 3.56Å; F8-W53 HydrophobicContact CD1-CZ2 3.56Å; F8-W53 AromaticContact CD1-NE1 3.6Å; F8-W53 AromaticContact CE1-CE2 3.92Å; F8-W53 HydrophobicContact CE1-CZ2 4.36Å; F8-W53 AromaticContact CE1-NE1 3.49Å; F8-W53 HydrophobicContact CG-CZ2 4.4Å
9Y95Very high95Very high1 Ų165.6 Ų65.60%0.00433%0.33CS..Hα-helixtrans-58.8-41.7-172.9-66.70.6000113.7T6 A11 L12 R13 L30 E33 M34 L46 L48T6-Y9 HydrophobicContact CG2-CD2 4.39Å; T6-Y9 HydrophobicContact CG2-CE2 3.72Å; T6-Y9 WeakPolarHBondContact O-CB 3.3Å; T6-Y9 PolarHBondContact O-N 3.04Å; Y9-A11 VanDerWaalsContact C-N 3.34Å; Y9-A11 PolarHBondContact O-N 3.43Å; Y9-L12 PolarHBondContact O-N 3.22Å; Y9-R13 VanDerWaalsContact O-CB 3.27Å; Y9-R13 WeakPolarHBondContact O-CB 3.39Å; Y9-R13 PolarHBondContact O-N 3.09Å; Y9-L30 HydrophobicContact CD1-CD2 3.87Å; Y9-L30 HydrophobicContact CD2-CD2 4.31Å; Y9-L30 HydrophobicContact CE1-CD2 4.44Å; Y9-L30 HydrophobicContact CG-CD2 3.8Å; Y9-E33 HydrophobicContact CD2-CG 4.2Å; Y9-E33 HydrophobicContact CE2-CB 4.4Å; Y9-E33 HydrophobicContact CE2-CG 3.62Å; Y9-M34 HydrophobicContact CD2-CG 4.36Å; Y9-L46 PolarHBondContact OH-O 2.86Å; Y9-L48 HydrophobicContact CD1-CD1 4.32Å; Y9-L48 HydrophobicContact CE1-CD1 3.68Å
10P96.1Very high95.1Very high59 Ų5964.6 Ų64.638%0.38333%0.325SS..Hα-helixtrans-60.6-43.1176.3-2333.3000112.7N14 M34P10-N14 WeakPolarHBondContact O-CB 3.48Å; P10-N14 PolarHBondContact O-N 3.4Å; P10-N14 PolarHBondContact O-ND2 3.1Å; P10-M34 HydrophobicContact CB-CE 4.15Å; P10-M34 HydrophobicContact CG-CE 3.83Å
11A97.6Very high95.2Very high48 Ų4863.2 Ų63.240%0.39732%0.321SS..Hα-helixtrans-67.2-43.9179.100000111.2F8 Y9 N14 L15 W53F8-A11 PolarHBondContact O-N 3.27Å; F8-A11 VanDerWaalsContact O-N 3.13Å; Y9-A11 VanDerWaalsContact C-N 3.34Å; Y9-A11 PolarHBondContact O-N 3.43Å; A11-N14 PolarHBondContact O-N 3.06Å; A11-L15 PolarHBondContact O-N 2.89Å; A11-W53 HydrophobicContact CB-CH2 4.16Å; A11-W53 HydrophobicContact CB-CZ2 4Å
12L97.8Very high95.5Very high0 Ų061.9 Ų61.90%031%0.312CS..Hα-helixtrans-66.7-38.2177.8-177.862.5000112L4 F8 Y9 N14 L15 A16 L26 L30 W53 P56 V59L4-L12 HydrophobicContact CD1-CD2 3.77Å; F8-L12 PolarHBondContact O-N 2.95Å; Y9-L12 PolarHBondContact O-N 3.22Å; L12-N14 VanDerWaalsContact C-N 3.35Å; L12-L15 HydrophobicContact CD1-CD2 4.33Å; L12-L15 WeakPolarHBondContact O-CB 3.36Å; L12-L15 PolarHBondContact O-N 3.33Å; L12-A16 WeakPolarHBondContact O-CB 3.48Å; L12-A16 PolarHBondContact O-N 2.83Å; L12-L26 HydrophobicContact CD1-CD2 4.1Å; L12-L26 HydrophobicContact CD2-CD1 4.25Å; L12-L26 HydrophobicContact CD2-CD2 4.32Å; L12-L26 HydrophobicContact CG-CD2 4.24Å; L12-L30 HydrophobicContact CB-CD1 3.97Å; L12-L30 HydrophobicContact CD2-CD1 3.74Å; L12-L30 HydrophobicContact CD2-CD2 4.19Å; L12-L30 HydrophobicContact CG-CD1 3.57Å; L12-W53 HydrophobicContact CB-CH2 4.05Å; L12-W53 HydrophobicContact CB-CZ3 4.23Å; L12-W53 HydrophobicContact CD1-CZ3 4.05Å; L12-P56 HydrophobicContact CD1-CG 4.5Å; L12-V59 HydrophobicContact CD1-CG2 3.82Å; L12-V59 HydrophobicContact CD2-CG1 4.2Å; L12-V59 HydrophobicContact CD2-CG2 4.21Å
13R97Very high95.8Very high67 Ų6757.4 Ų57.425%0.25329%0.292SS..Hα-helixtrans-64-42.2175.7-165-167.396.9-137.41111.1Y9 L15 A16 Q17 Y27 L30 T31 M34Y9-R13 VanDerWaalsContact O-CB 3.27Å; Y9-R13 WeakPolarHBondContact O-CB 3.39Å; Y9-R13 PolarHBondContact O-N 3.09Å; R13-L15 VanDerWaalsContact C-N 3.33Å; R13-A16 PolarHBondContact O-N 3.36Å; R13-Q17 WeakPolarHBondContact O-CB 3.08Å; R13-Q17 PolarHBondContact O-N 3.18Å; R13-Y27 HydrophobicContact CG-CD2 3.83Å; R13-Y27 HydrophobicContact CG-CE2 3.95Å; R13-L30 HydrophobicContact CB-CB 4.05Å; R13-L30 HydrophobicContact CB-CD1 4.08Å; R13-L30 HydrophobicContact CG-CB 4.08Å; R13-T31 WeakPolarHBondContact CD-OG1 3.46Å; R13-M34 HydrophobicContact CB-SD 4.37Å
14N97.7Very high95.9Very high77 Ų7749.8 Ų49.841%0.41226%0.263SS..Hα-helixtrans-63.9-39175.2-71.7-17.3000111.6P10 A11 L12 Q17 K18P10-N14 WeakPolarHBondContact O-CB 3.48Å; P10-N14 PolarHBondContact O-N 3.4Å; P10-N14 PolarHBondContact O-ND2 3.1Å; A11-N14 PolarHBondContact O-N 3.06Å; L12-N14 VanDerWaalsContact C-N 3.35Å; N14-Q17 PolarHBondContact O-N 2.61Å; N14-K18 WeakPolarHBondContact O-CG 3.49Å; N14-K18 PolarHBondContact O-N 3.45Å
15L97.9Very high96Very high27 Ų2749.6 Ų49.614%0.14126%0.262CS..Hα-helixtrans-63.4-50.7172.9-178.466.3000110.7A11 L12 R13 Q17 K18 H19 P56 I81A11-L15 PolarHBondContact O-N 2.89Å; L12-L15 HydrophobicContact CD1-CD2 4.33Å; L12-L15 WeakPolarHBondContact O-CB 3.36Å; L12-L15 PolarHBondContact O-N 3.33Å; R13-L15 VanDerWaalsContact C-N 3.33Å; L15-Q17 PolarHBondContact O-N 2.79Å; L15-K18 WeakPolarHBondContact O-CB 3.29Å; L15-K18 PolarHBondContact O-N 2.98Å; L15-H19 PolarHBondContact O-CD2 2.77Å; L15-H19 VanDerWaalsContact O-CD2 3.27Å; L15-H19 PolarHBondContact O-N 3.07Å; L15-P56 HydrophobicContact CD2-CG 3.85Å; L15-I81 HydrophobicContact CD2-CG2 4.48Å
16A97.5Very high96.2Very high0 Ų046.8 Ų46.80%024%0.242CC..Hα-helixtrans-54.1-43.4176.400000111L12 R13 K18 H19 L20 T23 L26L12-A16 WeakPolarHBondContact O-CB 3.48Å; L12-A16 PolarHBondContact O-N 2.83Å; R13-A16 PolarHBondContact O-N 3.36Å; A16-K18 VanDerWaalsContact C-N 3.3Å; A16-K18 PolarHBondContact O-N 3.42Å; A16-H19 PolarHBondContact O-N 3.17Å; A16-H19 VanDerWaalsContact O-N 3.09Å; A16-L20 PolarHBondContact O-N 2.66Å; A16-T23 WeakPolarHBondContact O-CB 3.29Å; A16-T23 PolarHBondContact O-OG1 3.19Å; A16-L26 HydrophobicContact CB-CD2 4.36Å; A16-L26 HydrophobicContact CB-CG 4.37Å
17Q97Very high96.4Very high96 Ų9645.6 Ų45.645%0.44923%0.232SC..Hα-helixtrans-58.7-37.5177.4-170.5176.4-2.900113.4R13 N14 L15 H19 L20 Y27R13-Q17 WeakPolarHBondContact O-CB 3.08Å; R13-Q17 PolarHBondContact O-N 3.18Å; N14-Q17 PolarHBondContact O-N 2.61Å; L15-Q17 PolarHBondContact O-N 2.79Å; Q17-H19 PolarHBondContact O-N 2.95Å; Q17-L20 HydrophobicContact CG-CD1 4.15Å; Q17-L20 WeakPolarHBondContact O-CD1 3.45Å; Q17-L20 WeakPolarHBondContact O-CG 3.4Å; Q17-L20 PolarHBondContact O-N 3.12Å; Q17-Y27 HydrophobicContact CB-CD2 3.92Å; Q17-Y27 HydrophobicContact CB-CE2 3.97Å; Q17-Y27 HydrophobicContact CG-CD2 4.47Å; Q17-Y27 HydrophobicContact CG-CE2 4.15Å
18K96.8Very high96.6Very high168 Ų16840.3 Ų40.373%0.7320%0.2SC*.Hα-helixtrans-67.6-23.4178.6-68.6173.1-177.2-179.60113.5N14 L15 A16N14-K18 WeakPolarHBondContact O-CG 3.49Å; N14-K18 PolarHBondContact O-N 3.45Å; L15-K18 WeakPolarHBondContact O-CB 3.29Å; L15-K18 PolarHBondContact O-N 2.98Å; A16-K18 VanDerWaalsContact C-N 3.3Å; A16-K18 PolarHBondContact O-N 3.42Å
19H96.2Very high96.5Very high82 Ų8237.2 Ų37.238%0.3819%0.187SC..THydrogen-bonded Turntrans-105.614.6-175.9-67.7-76.8000113.5L15 A16 Q17 R22 T23 I81L15-H19 PolarHBondContact O-CD2 2.77Å; L15-H19 VanDerWaalsContact O-CD2 3.27Å; L15-H19 PolarHBondContact O-N 3.07Å; A16-H19 PolarHBondContact O-N 3.17Å; A16-H19 VanDerWaalsContact O-N 3.09Å; Q17-H19 PolarHBondContact O-N 2.95Å; H19-R22 PolarHBondContact O-N 3.23Å; H19-T23 VanDerWaalsContact C-OG1 3.22Å; H19-T23 HydrophobicContact CB-CG2 3.66Å; H19-T23 PolarHBondContact O-OG1 2.99Å; H19-I81 HydrophobicContact CB-CG2 4.42Å
20L96.4Very high96.5Very high45 Ų4537.2 Ų37.224%0.23619%0.187CC..THydrogen-bonded Turntrans-58.8145.7174.2-71.8170.8000111.5A16 Q17 T23 V24 W145 I257A16-L20 PolarHBondContact O-N 2.66Å; Q17-L20 HydrophobicContact CG-CD1 4.15Å; Q17-L20 WeakPolarHBondContact O-CD1 3.45Å; Q17-L20 WeakPolarHBondContact O-CG 3.4Å; Q17-L20 PolarHBondContact O-N 3.12Å; L20-T23 PolarHBondContact N-OG1 2.97Å; L20-V24 HydrophobicContact CD2-CB 3.94Å; L20-V24 HydrophobicContact CD2-CG2 4.33Å; L20-W145 HydrophobicContact CB-CH2 4.39Å; L20-W145 HydrophobicContact CB-CZ3 4.21Å; L20-I257 HydrophobicContact CD1-CD1 3.42Å; L20-I257 VanDerWaalsContact CD1-CD1 3.42Å; L20-I257 HydrophobicContact CD2-CD1 3.92Å; L20-I257 HydrophobicContact CG-CD1 4.34Å
21P96.2Very high96.4Very high36 Ų3634.7 Ų34.723%0.23417%0.17CC..THydrogen-bonded Turncis-85.3-12.65.133.1-36.3000115.7T23 V24 W145 M282P21-T23 PolarHBondContact O-N 3.22Å; P21-V24 VanDerWaalsContact O-CB 3.27Å; P21-V24 WeakPolarHBondContact O-CB 3.26Å; P21-V24 WeakPolarHBondContact O-CG1 3.46Å; P21-V24 PolarHBondContact O-N 3.37Å; P21-W145 HydrophobicContact CB-CD2 3.44Å; P21-W145 VanDerWaalsContact CB-CD2 3.44Å; P21-W145 VanDerWaalsContact CB-CE2 3.41Å; P21-W145 HydrophobicContact CB-CE3 3.71Å; P21-W145 HydrophobicContact CB-CG 3.91Å; P21-W145 HydrophobicContact CB-CH2 3.97Å; P21-W145 HydrophobicContact CB-CZ2 3.7Å; P21-W145 HydrophobicContact CB-CZ3 3.97Å; P21-W145 HydrophobicContact CG-CD2 4.43Å; P21-W145 HydrophobicContact CG-CZ2 4.08Å; P21-M282 HydrophobicContact CB-CE 3.98Å; P21-M282 HydrophobicContact CB-CG 3.91Å; P21-M282 HydrophobicContact CB-SD 4.19Å; P21-M282 HydrophobicContact CG-CB 4.32Å; P21-M282 HydrophobicContact CG-CE 4.49Å; P21-M282 HydrophobicContact CG-CG 4.1Å; P21-M282 WeakPolarHBondContact O-CE 3.24Å
22R94.6Very high96.1Very high48 Ų4833 Ų3318%0.18115%0.154CC..THydrogen-bonded Turntrans-50.3-36.2-170.2175.9171-69-110.1-4.1113.9H19 A82 R83 M284H19-R22 PolarHBondContact O-N 3.23Å; R22-A82 WeakPolarHBondContact CD-O 3.44Å; R22-A82 PolarHBondContact NH1-O 3.36Å; R22-R83 PolarHBondContact NH1-O 2.89Å; R22-R83 PolarHBondContact NH2-O 3.41Å; R22-M284 HydrophobicContact CG-SD 3.99Å
23T96.2Very high95.7Very high3 Ų333.8 Ų33.82%0.01816%0.157CC..THydrogen-bonded Turntrans-97.213.7-174.348.10000113.7A16 H19 L20 P21 A25 L26 Y27 I81A16-T23 WeakPolarHBondContact O-CB 3.29Å; A16-T23 PolarHBondContact O-OG1 3.19Å; H19-T23 VanDerWaalsContact C-OG1 3.22Å; H19-T23 HydrophobicContact CB-CG2 3.66Å; H19-T23 PolarHBondContact O-OG1 2.99Å; L20-T23 PolarHBondContact N-OG1 2.97Å; P21-T23 PolarHBondContact O-N 3.22Å; T23-A25 VanDerWaalsContact C-N 3.28Å; T23-A25 PolarHBondContact O-N 3.42Å; T23-L26 PolarHBondContact O-N 3.48Å; T23-L26 VanDerWaalsContact O-N 3.15Å; T23-Y27 WeakPolarHBondContact O-CB 3.27Å; T23-Y27 PolarHBondContact O-N 2.87Å; T23-I81 HydrophobicContact CG2-CD1 3.57Å
24V97Very high95.3Very high0 Ų032.1 Ų32.10%015%0.153CC..Hα-helixtrans-56.5-39.6-174.667.90000113.1L20 P21 Y27 N28 I257 Y259 M282L20-V24 HydrophobicContact CD2-CB 3.94Å; L20-V24 HydrophobicContact CD2-CG2 4.33Å; P21-V24 VanDerWaalsContact O-CB 3.27Å; P21-V24 WeakPolarHBondContact O-CB 3.26Å; P21-V24 WeakPolarHBondContact O-CG1 3.46Å; P21-V24 PolarHBondContact O-N 3.37Å; V24-Y27 PolarHBondContact O-N 3.05Å; V24-N28 WeakPolarHBondContact O-CB 3.28Å; V24-N28 PolarHBondContact O-N 3.49Å; V24-I257 HydrophobicContact CG2-CB 3.77Å; V24-I257 HydrophobicContact CG2-CG2 3.83Å; V24-Y259 HydrophobicContact CB-CG 4.45Å; V24-Y259 HydrophobicContact CG1-CD1 3.91Å; V24-Y259 HydrophobicContact CG1-CD2 3.57Å; V24-Y259 HydrophobicContact CG1-CE1 4.3Å; V24-Y259 HydrophobicContact CG1-CE2 4.01Å; V24-Y259 HydrophobicContact CG1-CG 3.51Å; V24-Y259 HydrophobicContact CG2-CD1 3.93Å; V24-Y259 HydrophobicContact CG2-CG 4.07Å; V24-M282 HydrophobicContact CG1-CE 3.83Å; V24-M282 HydrophobicContact CG1-SD 3.9Å
25A96.1Very high94.7Very high1 Ų130.7 Ų30.71%0.00815%0.145CC..Hα-helixtrans-60.9-50.1177.200000111.6T23 Y27 N28 L29 F79 H112 Y259T23-A25 VanDerWaalsContact C-N 3.28Å; T23-A25 PolarHBondContact O-N 3.42Å; A25-Y27 PolarHBondContact O-N 3.41Å; A25-N28 PolarHBondContact O-N 3.43Å; A25-L29 WeakPolarHBondContact O-CB 3.24Å; A25-L29 PolarHBondContact O-N 3.39Å; A25-F79 HydrophobicContact CB-CD1 3.95Å; A25-F79 HydrophobicContact CB-CE1 3.75Å; A25-H112 VanDerWaalsContact CB-NE2 3.25Å; A25-H112 WeakPolarHBondContact CB-NE2 3.21Å; A25-Y259 HydrophobicContact CB-CE1 4.34Å; A25-Y259 HydrophobicContact CB-CE2 4.26Å; A25-Y259 WeakPolarHBondContact CB-OH 3.36Å
26L96.4Very high93.7Very high0 Ų032 Ų320%015%0.151CC..Hα-helixtrans-64.9-41.4177.9-17861.9000111.9L12 A16 T23 N28 L29 L30 V59 F79 I81L12-L26 HydrophobicContact CD1-CD2 4.1Å; L12-L26 HydrophobicContact CD2-CD1 4.25Å; L12-L26 HydrophobicContact CD2-CD2 4.32Å; L12-L26 HydrophobicContact CG-CD2 4.24Å; A16-L26 HydrophobicContact CB-CD2 4.36Å; A16-L26 HydrophobicContact CB-CG 4.37Å; T23-L26 PolarHBondContact O-N 3.48Å; T23-L26 VanDerWaalsContact O-N 3.15Å; L26-N28 VanDerWaalsContact C-N 3.34Å; L26-N28 PolarHBondContact O-N 3.11Å; L26-L29 PolarHBondContact O-N 3.27Å; L26-L30 HydrophobicContact CD1-CD1 3.95Å; L26-L30 HydrophobicContact CD1-CG 4.17Å; L26-L30 HydrophobicContact CG-CD1 3.89Å; L26-L30 WeakPolarHBondContact O-CB 3.43Å; L26-L30 WeakPolarHBondContact O-CD1 3.46Å; L26-L30 VanDerWaalsContact O-CG 3.24Å; L26-L30 WeakPolarHBondContact O-CG 3.49Å; L26-L30 PolarHBondContact O-N 3.21Å; L26-V59 HydrophobicContact CD1-CG1 4.2Å; L26-V59 HydrophobicContact CD2-CB 4.04Å; L26-V59 HydrophobicContact CD2-CG2 4.01Å; L26-F79 HydrophobicContact CB-CB 4.01Å; L26-F79 HydrophobicContact CB-CD1 4.22Å; L26-F79 HydrophobicContact CB-CG 4.02Å; L26-F79 HydrophobicContact CD1-CB 4.47Å; L26-F79 HydrophobicContact CD1-CD2 3.98Å; L26-F79 HydrophobicContact CD1-CE2 4.48Å; L26-F79 HydrophobicContact CD1-CG 4.26Å; L26-F79 HydrophobicContact CD2-CB 4.2Å; L26-F79 HydrophobicContact CG-CB 4.46Å; L26-I81 HydrophobicContact CD2-CD1 3.63Å
27Y97.1Very high91.8Very high22 Ų2236.2 Ų36.29%0.08617%0.171CC..Hα-helixtrans-58-47.8175.4172.7-89.2000111R13 Q17 T23 V24 A25 T31 N255 I257R13-Y27 HydrophobicContact CG-CD2 3.83Å; R13-Y27 HydrophobicContact CG-CE2 3.95Å; Q17-Y27 HydrophobicContact CB-CD2 3.92Å; Q17-Y27 HydrophobicContact CB-CE2 3.97Å; Q17-Y27 HydrophobicContact CG-CD2 4.47Å; Q17-Y27 HydrophobicContact CG-CE2 4.15Å; T23-Y27 WeakPolarHBondContact O-CB 3.27Å; T23-Y27 PolarHBondContact O-N 2.87Å; V24-Y27 PolarHBondContact O-N 3.05Å; A25-Y27 PolarHBondContact O-N 3.41Å; Y27-T31 WeakPolarHBondContact O-CB 3.49Å; Y27-T31 PolarHBondContact O-N 3.08Å; Y27-T31 PolarHBondContact O-OG1 2.65Å; Y27-N255 PolarHBondContact OH-O 3.31Å; Y27-I257 HydrophobicContact CD1-CD1 3.88Å; Y27-I257 HydrophobicContact CD1-CG1 4.15Å; Y27-I257 HydrophobicContact CE1-CD1 3.87Å; Y27-I257 HydrophobicContact CE1-CG1 3.9Å
28N96.2Very high90Very high0 Ų039.5 Ų39.50%018%0.184CC..Hα-helixtrans-67.8-44.2179.8-74-9.8000112V24 A25 L26 L30 T31 Y32 S223 C256 I257V24-N28 WeakPolarHBondContact O-CB 3.28Å; V24-N28 PolarHBondContact O-N 3.49Å; A25-N28 PolarHBondContact O-N 3.43Å; L26-N28 VanDerWaalsContact C-N 3.34Å; L26-N28 PolarHBondContact O-N 3.11Å; N28-L30 VanDerWaalsContact C-N 3.32Å; N28-L30 PolarHBondContact O-N 2.86Å; N28-T31 WeakPolarHBondContact O-CB 3.46Å; N28-T31 PolarHBondContact O-N 3.01Å; N28-T31 VanDerWaalsContact O-N 3.12Å; N28-Y32 WeakPolarHBondContact O-CD2 3.49Å; N28-Y32 PolarHBondContact O-N 3.38Å; N28-S223 VanDerWaalsContact CB-CB 3.46Å; N28-S223 PolarHBondContact ND2-O 3.02Å; N28-C256 HydrophobicContact CB-CB 4.45Å; N28-C256 WeakPolarHBondContact OD1-CA 3.34Å; N28-C256 WeakPolarHBondContact OD1-CB 3.22Å; N28-I257 PolarHBondContact ND2-O 3.01Å; N28-I257 PolarHBondContact OD1-N 3.22Å
29L94.5Very high88.1Confident2 Ų237.9 Ų37.91%0.0118%0.183CC..Hα-helixtrans-52.8-51.8176.4174.461.2000110.6A25 L26 T31 Y32 E33 L46 L48 L61 F79 K221A25-L29 WeakPolarHBondContact O-CB 3.24Å; A25-L29 PolarHBondContact O-N 3.39Å; L26-L29 PolarHBondContact O-N 3.27Å; L29-T31 VanDerWaalsContact C-N 3.35Å; L29-T31 PolarHBondContact O-N 3.39Å; L29-Y32 PolarHBondContact O-N 3.33Å; L29-E33 WeakPolarHBondContact O-CB 3.37Å; L29-E33 PolarHBondContact O-N 3.24Å; L29-L46 HydrophobicContact CD1-CD1 3.63Å; L29-L46 HydrophobicContact CD1-CD2 4.32Å; L29-L46 HydrophobicContact CD2-CD1 4.1Å; L29-L46 HydrophobicContact CG-CD1 3.76Å; L29-L48 HydrophobicContact CD2-CD2 4.4Å; L29-L61 HydrophobicContact CD2-CD2 4.11Å; L29-F79 HydrophobicContact CD2-CE2 3.86Å; L29-F79 HydrophobicContact CD2-CZ 3.95Å; L29-K221 WeakPolarHBondContact CD1-O 2.84Å
30L94.9Very high85.9Confident0 Ų037.8 Ų37.80%019%0.189CC..Hα-helixtrans-65.9-37.9178.8-65.6166.7000112Y9 L12 R13 L26 N28 E33 M34 L48Y9-L30 HydrophobicContact CD1-CD2 3.87Å; Y9-L30 HydrophobicContact CD2-CD2 4.31Å; Y9-L30 HydrophobicContact CE1-CD2 4.44Å; Y9-L30 HydrophobicContact CG-CD2 3.8Å; L12-L30 HydrophobicContact CB-CD1 3.97Å; L12-L30 HydrophobicContact CD2-CD1 3.74Å; L12-L30 HydrophobicContact CD2-CD2 4.19Å; L12-L30 HydrophobicContact CG-CD1 3.57Å; R13-L30 HydrophobicContact CB-CB 4.05Å; R13-L30 HydrophobicContact CB-CD1 4.08Å; R13-L30 HydrophobicContact CG-CB 4.08Å; L26-L30 HydrophobicContact CD1-CD1 3.95Å; L26-L30 HydrophobicContact CD1-CG 4.17Å; L26-L30 HydrophobicContact CG-CD1 3.89Å; L26-L30 WeakPolarHBondContact O-CB 3.43Å; L26-L30 WeakPolarHBondContact O-CD1 3.46Å; L26-L30 VanDerWaalsContact O-CG 3.24Å; L26-L30 WeakPolarHBondContact O-CG 3.49Å; L26-L30 PolarHBondContact O-N 3.21Å; N28-L30 VanDerWaalsContact C-N 3.32Å; N28-L30 PolarHBondContact O-N 2.86Å; L30-E33 PolarHBondContact O-N 3.43Å; L30-M34 VanDerWaalsContact O-CB 3.28Å; L30-M34 WeakPolarHBondContact O-CB 3.36Å; L30-M34 WeakPolarHBondContact O-CG 3.44Å; L30-M34 PolarHBondContact O-N 2.87Å; L30-L48 HydrophobicContact CD2-CD1 3.86Å
31T94.3Very high83.4Confident6 Ų643.4 Ų43.44%0.03723%0.225CC..Hα-helixtrans-62.1-45177-59.90000111.4R13 Y27 N28 L29 N35 N255R13-T31 WeakPolarHBondContact CD-OG1 3.46Å; Y27-T31 WeakPolarHBondContact O-CB 3.49Å; Y27-T31 PolarHBondContact O-N 3.08Å; Y27-T31 PolarHBondContact O-OG1 2.65Å; N28-T31 WeakPolarHBondContact O-CB 3.46Å; N28-T31 PolarHBondContact O-N 3.01Å; N28-T31 VanDerWaalsContact O-N 3.12Å; L29-T31 VanDerWaalsContact C-N 3.35Å; L29-T31 PolarHBondContact O-N 3.39Å; T31-N35 WeakPolarHBondContact O-CB 3.48Å; T31-N35 PolarHBondContact O-N 3.07Å; T31-N35 PolarHBondContact O-ND2 3.02Å; T31-N35 VanDerWaalsContact O-ND2 3.07Å; T31-N255 HydrophobicContact CG2-CB 4.17Å
32Y89.9Confident80.7Confident14 Ų1446.9 Ų46.96%0.05525%0.249CC..Hα-helixtrans-64.9-47.4176.2-90.4-68.3000112N28 L29 M34 N35 I36 R200 P201 S223 K254 C256N28-Y32 WeakPolarHBondContact O-CD2 3.49Å; N28-Y32 PolarHBondContact O-N 3.38Å; L29-Y32 PolarHBondContact O-N 3.33Å; Y32-M34 PolarHBondContact O-N 3.27Å; Y32-N35 WeakPolarHBondContact O-CA 3.43Å; Y32-N35 WeakPolarHBondContact O-CB 3.48Å; Y32-N35 PolarHBondContact O-N 2.66Å; Y32-I36 WeakPolarHBondContact O-CG1 3.23Å; Y32-I36 PolarHBondContact O-N 2.93Å; Y32-R200 VanDerWaalsContact CD1-NH1 3.35Å; Y32-P201 WeakPolarHBondContact OH-CG 3.29Å; Y32-S223 WeakPolarHBondContact CD2-OG 3.49Å; Y32-K254 HydrophobicContact CE1-CB 4.19Å; Y32-K254 HydrophobicContact CE1-CG 4.24Å; Y32-C256 VanDerWaalsContact CD2-SG 3.54Å; Y32-C256 HydrophobicContact CE2-CB 4.23Å; Y32-C256 WeakPolarHBondContact CE2-SG 3.24Å
33E88.9Confident78.8Confident16 Ų1647.9 Ų47.98%0.07527%0.268CS..Hα-helixtrans-60.3-47.1-177.5-165.663.9-172.100111.5Y9 L29 L30 N35 I36 E37 L46Y9-E33 HydrophobicContact CD2-CG 4.2Å; Y9-E33 HydrophobicContact CE2-CB 4.4Å; Y9-E33 HydrophobicContact CE2-CG 3.62Å; L29-E33 WeakPolarHBondContact O-CB 3.37Å; L29-E33 PolarHBondContact O-N 3.24Å; L30-E33 PolarHBondContact O-N 3.43Å; E33-N35 PolarHBondContact O-N 2.76Å; E33-N35 VanDerWaalsContact O-N 3.17Å; E33-I36 PolarHBondContact O-N 3.07Å; E33-I36 VanDerWaalsContact O-N 3.08Å; E33-E37 PolarHBondContact O-N 2.83Å; E33-E37 VanDerWaalsContact O-N 3.09Å; E33-L46 HydrophobicContact CB-CD1 4.01Å; E33-L46 HydrophobicContact CG-CD1 3.75Å; E33-L46 HydrophobicContact CG-CG 4.01Å
34M90.1Very high77.6Confident31 Ų3155.2 Ų55.215%0.15331%0.307CS..Hα-helixtrans-64.5-20.5176.1-67.3173.965.700113.6Y9 P10 R13 L30 Y32Y9-M34 HydrophobicContact CD2-CG 4.36Å; P10-M34 HydrophobicContact CB-CE 4.15Å; P10-M34 HydrophobicContact CG-CE 3.83Å; R13-M34 HydrophobicContact CB-SD 4.37Å; L30-M34 VanDerWaalsContact O-CB 3.28Å; L30-M34 WeakPolarHBondContact O-CB 3.36Å; L30-M34 WeakPolarHBondContact O-CG 3.44Å; L30-M34 PolarHBondContact O-N 2.87Å; Y32-M34 PolarHBondContact O-N 3.27Å
35N85Confident76.8Confident47 Ų4758 Ų5825%0.25133%0.325SS..Hα-helixtrans-87.8-27.6174.8-73.9-25.3000112.4T31 Y32 E33 N39 K254T31-N35 WeakPolarHBondContact O-CB 3.48Å; T31-N35 PolarHBondContact O-N 3.07Å; T31-N35 PolarHBondContact O-ND2 3.02Å; T31-N35 VanDerWaalsContact O-ND2 3.07Å; Y32-N35 WeakPolarHBondContact O-CA 3.43Å; Y32-N35 WeakPolarHBondContact O-CB 3.48Å; Y32-N35 PolarHBondContact O-N 2.66Å; E33-N35 PolarHBondContact O-N 2.76Å; E33-N35 VanDerWaalsContact O-N 3.17Å; N35-N39 PolarHBondContact O-ND2 3.45Å; N35-K254 PolarHBondContact ND2-O 3.34Å
36I76.3Confident76.5Confident54 Ų5459 Ų5928%0.27733%0.33SS..Hα-helixtrans-73.1-45.1175.4-68.9168.2000110.5Y32 E33 K38 N39 T40Y32-I36 WeakPolarHBondContact O-CG1 3.23Å; Y32-I36 PolarHBondContact O-N 2.93Å; E33-I36 PolarHBondContact O-N 3.07Å; E33-I36 VanDerWaalsContact O-N 3.08Å; I36-K38 PolarHBondContact O-N 3.5Å; I36-K38 VanDerWaalsContact O-N 3.07Å; I36-N39 PolarHBondContact O-N 3.31Å; I36-T40 PolarHBondContact O-N 2.87Å; I36-T40 PolarHBondContact O-OG1 3Å
37E57.2Low76.3Confident90 Ų9061.8 Ų61.842%0.42135%0.345SS..THydrogen-bonded Turntrans-55.2-30.6178.5-74-175.8168.100112.6T6 E33 N39T6-E37 VanDerWaalsContact CB-OE1 3.31Å; T6-E37 WeakPolarHBondContact CB-OE1 3.39Å; T6-E37 WeakPolarHBondContact CG2-OE1 3.45Å; E33-E37 PolarHBondContact O-N 2.83Å; E33-E37 VanDerWaalsContact O-N 3.09Å; E37-N39 VanDerWaalsContact C-N 3.27Å; E37-N39 PolarHBondContact O-N 3Å
38K59.9Low76.2Confident164 Ų16460.8 Ų60.871%0.71334%0.341SS*.THydrogen-bonded Turntrans-70.5-21.4175.8-70.9178.8-179.8178.20113.9I36I36-K38 PolarHBondContact O-N 3.5Å; I36-K38 VanDerWaalsContact O-N 3.07Å
39N56.4Low76.3Confident134 Ų13462 Ų6272%0.71735%0.346SS*.THydrogen-bonded Turntrans-114.1-17.6-169.2-68.9-40.7000114.3N35 I36 E37N35-N39 PolarHBondContact O-ND2 3.45Å; I36-N39 PolarHBondContact O-N 3.31Å; E37-N39 VanDerWaalsContact C-N 3.27Å; E37-N39 PolarHBondContact O-N 3Å
40T50.1Low76.4Confident80 Ų8061.9 Ų61.949%0.49135%0.345SS..  trans-151.8134.7-179.2460000112.2I36 C42I36-T40 PolarHBondContact O-N 2.87Å; I36-T40 PolarHBondContact O-OG1 3Å; T40-C42 PolarHBondContact O-N 3.35Å; T40-C42 VanDerWaalsContact O-N 3.16Å
41T44.1Very low76.4Confident163 Ų16363 Ų63100%135%0.352SS*.SBendtrans-78.320.6175.846.60000114.4
42C38.7Very low76.4Confident110 Ų11064.7 Ų64.774%0.74336%0.363SS*.  trans-150.5103-176.1-168.20000112.8T40T40-C42 PolarHBondContact O-N 3.35Å; T40-C42 VanDerWaalsContact O-N 3.16Å
43A56.1Low76.7Confident69 Ų6967.3 Ų67.357%0.5737%0.373SS*.SBendtrans-161.9139.6140.500000105.9
44D69.7Low77Confident156 Ų15670.7 Ų70.783%0.83440%0.397SS*.PPolyproline II helixtrans-54.9131.9174.8-74.9-47.4000109.4
45P80.1Confident77.2Confident60 Ų6076.8 Ų76.839%0.3943%0.425SS..PPolyproline II helixtrans-61.4143.8-176.826.2-34.3000109.9T6 L47T6-P45 HydrophobicContact CG2-CB 3.72Å; P45-L47 PolarHBondContact O-N 3.28Å
46L89.7Confident77.8Confident22 Ų2274.9 Ų74.912%0.11542%0.415CS..PPolyproline II helixtrans-47.3133.6174.1-58.7173.4000111.4Y9 L29 E33 L48 L61Y9-L46 PolarHBondContact OH-O 2.86Å; L29-L46 HydrophobicContact CD1-CD1 3.63Å; L29-L46 HydrophobicContact CD1-CD2 4.32Å; L29-L46 HydrophobicContact CD2-CD1 4.1Å; L29-L46 HydrophobicContact CG-CD1 3.76Å; E33-L46 HydrophobicContact CB-CD1 4.01Å; E33-L46 HydrophobicContact CG-CD1 3.75Å; E33-L46 HydrophobicContact CG-CG 4.01Å; L46-L48 VanDerWaalsContact C-N 3.25Å; L46-L48 HydrophobicContact CB-CD1 4.14Å; L46-L48 HydrophobicContact CB-CG 3.89Å; L46-L48 HydrophobicContact CD1-CD1 4.15Å; L46-L48 PolarHBondContact O-N 3.39Å; L46-L61 HydrophobicContact CB-CD1 3.93Å; L46-L61 HydrophobicContact CD2-CD1 4.11Å
47L93.3Very high78.7Confident58 Ų5874.5 Ų74.530%0.30441%0.413SS..EExtended strand (participates in β ladder)trans-81.277.3173.9-60.3-179.8000109.4R3 P45 F49 L61 E62R3-L47 VanDerWaalsContact NH2-CD2 3.29Å; P45-L47 PolarHBondContact O-N 3.28Å; L47-F49 HydrophobicContact CB-CE2 3.98Å; L47-F49 HydrophobicContact CB-CZ 4.49Å; L47-F49 WeakPolarHBondContact O-CD2 3.38Å; L47-F49 WeakPolarHBondContact O-CE2 3.38Å; L47-L61 WeakPolarHBondContact O-CA 3.49Å; L47-E62 HydrophobicContact CB-CB 4.09Å; L47-E62 PolarHBondContact O-N 3.01Å
48L95.6Very high80.6Confident0 Ų070.5 Ų70.50%040%0.395CS..EExtended strand (participates in β ladder)trans-93.4137.5179.7-70.5173.4000112L4 Y9 L29 L30 L46 V59 L60 L61L4-L48 HydrophobicContact CB-CB 4.22Å; L4-L48 PolarHBondContact N-O 2.8Å; Y9-L48 HydrophobicContact CD1-CD1 4.32Å; Y9-L48 HydrophobicContact CE1-CD1 3.68Å; L29-L48 HydrophobicContact CD2-CD2 4.4Å; L30-L48 HydrophobicContact CD2-CD1 3.86Å; L46-L48 VanDerWaalsContact C-N 3.25Å; L46-L48 HydrophobicContact CB-CD1 4.14Å; L46-L48 HydrophobicContact CB-CG 3.89Å; L46-L48 HydrophobicContact CD1-CD1 4.15Å; L46-L48 PolarHBondContact O-N 3.39Å; L48-V59 HydrophobicContact CD2-CG1 3.98Å; L48-L60 CarbonylContact C-O 3.6Å; L48-L60 VanDerWaalsContact CA-O 3.29Å; L48-L60 WeakPolarHBondContact CA-O 3.45Å; L48-L61 HydrophobicContact CD2-CB 3.79Å; L48-L61 HydrophobicContact CD2-CD1 4.06Å; L48-L61 HydrophobicContact CG-CD1 4.47Å
49F96.7Very high82.4Confident25 Ų2562.7 Ų62.711%0.1136%0.361CS..EExtended strand (participates in β ladder)trans-134.8141.8178.3-54.9-90.3000111.6M1 H2 R3 L47 V59 L60 E62 F97M1-F49 HydrophobicContact CE-CB 4.13Å; H2-F49 CarbonylContact O-C 3.59Å; H2-F49 VanDerWaalsContact O-CA 3.26Å; H2-F49 WeakPolarHBondContact O-CA 3.28Å; R3-F49 HydrophobicContact CB-CD1 3.77Å; R3-F49 HydrophobicContact CB-CE1 3.71Å; R3-F49 HydrophobicContact CG-CD1 4.08Å; R3-F49 HydrophobicContact CG-CE1 3.73Å; R3-F49 HydrophobicContact CG-CZ 4.4Å; L47-F49 HydrophobicContact CB-CE2 3.98Å; L47-F49 HydrophobicContact CB-CZ 4.49Å; L47-F49 WeakPolarHBondContact O-CD2 3.38Å; L47-F49 WeakPolarHBondContact O-CE2 3.38Å; F49-V59 CarbonylContact O-C 3.35Å; F49-V59 VanDerWaalsContact O-CA 3.28Å; F49-V59 WeakPolarHBondContact O-CA 3.39Å; F49-L60 HydrophobicContact CB-CB 4.44Å; F49-L60 PolarHBondContact N-O 3.37Å; F49-L60 PolarHBondContact O-N 3.42Å; F49-E62 HydrophobicContact CE2-CB 4.03Å; F49-E62 WeakPolarHBondContact CE2-OE2 3.37Å; F49-F97 HydrophobicContact CB-CE1 4.38Å; F49-F97 HydrophobicContact CB-CE2 3.97Å; F49-F97 HydrophobicContact CB-CZ 3.58Å; F49-F97 AromaticContact CD1-CE1 3.8Å; F49-F97 HydrophobicContact CD1-CE1 3.8Å; F49-F97 HydrophobicContact CD1-CE2 4.45Å; F49-F97 AromaticContact CD1-CZ 3.35Å; F49-F97 HydrophobicContact CD1-CZ 3.35Å; F49-F97 HydrophobicContact CD2-CD1 4.48Å; F49-F97 AromaticContact CD2-CE1 3.57Å; F49-F97 HydrophobicContact CD2-CE1 3.57Å; F49-F97 AromaticContact CD2-CZ 3.65Å; F49-F97 HydrophobicContact CD2-CZ 3.65Å; F49-F97 AromaticContact CE1-CE1 3.8Å; F49-F97 HydrophobicContact CE1-CE1 3.8Å; F49-F97 AromaticContact CE1-CZ 3.8Å; F49-F97 HydrophobicContact CE1-CZ 3.8Å; F49-F97 HydrophobicContact CE2-CD1 4.49Å; F49-F97 AromaticContact CE2-CE1 3.59Å; F49-F97 HydrophobicContact CE2-CE1 3.59Å; F49-F97 HydrophobicContact CE2-CZ 4.09Å; F49-F97 AromaticContact CG-CE1 3.66Å; F49-F97 HydrophobicContact CG-CE1 3.66Å; F49-F97 HydrophobicContact CG-CE2 4.11Å; F49-F97 AromaticContact CG-CZ 3.24Å; F49-F97 HydrophobicContact CG-CZ 3.24Å; F49-F97 AromaticContact CZ-CE1 3.7Å; F49-F97 HydrophobicContact CZ-CE1 3.7Å; F49-F97 HydrophobicContact CZ-CZ 4.15Å
50A96.7Very high84.3Confident0 Ų056.3 Ų56.30%033%0.327CS..EExtended strand (participates in β ladder)trans-115.6144.4175.800000111.1M1 H2 L4 S52 P56M1-A50 CarbonylContact C-O 3.53Å; M1-A50 WeakPolarHBondContact CA-O 3.46Å; M1-A50 VanDerWaalsContact CE-C 3.43Å; M1-A50 WeakPolarHBondContact CE-O 3.41Å; H2-A50 PolarHBondContact N-O 3.35Å; H2-A50 PolarHBondContact O-N 3.29Å; L4-A50 HydrophobicContact CD1-CB 4.03Å; L4-A50 HydrophobicContact CD2-CB 4.23Å; L4-A50 HydrophobicContact CG-CB 4.25Å; A50-S52 VanDerWaalsContact C-N 3.29Å; A50-S52 WeakPolarHBondContact CB-O 3.48Å; A50-P56 HydrophobicContact CB-CB 4.01Å; A50-P56 HydrophobicContact CB-CG 4.47Å
51D95.5Very high86.4Confident25 Ų2552.6 Ų52.613%0.13430%0.304CS..SBendtrans-65.7-36.9174.573-44.6000112.3M1 P56 N57 I58 T89M1-D51 HydrophobicContact CE-CB 4.33Å; M1-D51 WeakPolarHBondContact SD-CA 3.15Å; M1-D51 HydrophobicContact SD-CB 3.99Å; D51-P56 VanDerWaalsContact OD1-CA 3.27Å; D51-P56 WeakPolarHBondContact OD1-CA 3.45Å; D51-P56 WeakPolarHBondContact OD1-CB 3.38Å; D51-N57 PolarHBondContact OD1-N 2.86Å; D51-N57 WeakPolarHBondContact OD2-CB 3.39Å; D51-N57 PolarHBondContact OD2-ND2 2.86Å; D51-I58 HydrophobicContact CB-CG2 3.95Å; D51-I58 PolarHBondContact N-O 3.5Å; D51-I58 PolarHBondContact OD1-N 2.88Å; D51-T89 HydrophobicContact CB-CG2 3.71Å; D51-T89 WeakPolarHBondContact OD2-CG2 3.42Å; D51-T89 PolarHBondContact OD2-OG1 3.26Å
52S94.9Very high88.8Confident40 Ų4046.6 Ų46.628%0.2827%0.265SS..SBendtrans-146.6162.7172.958.50000110.6A50 E55 P56A50-S52 VanDerWaalsContact C-N 3.29Å; A50-S52 WeakPolarHBondContact CB-O 3.48Å; S52-E55 PolarHBondContact OG-O 3.47Å; S52-P56 WeakPolarHBondContact O-CA 3.44Å; S52-P56 WeakPolarHBondContact O-CB 3.44Å
53W95.2Very high91.3Very high69 Ų6943 Ų4326%0.26124%0.237SC..SBendtrans-141.5138.5176.2-172-97.2000109.5L4 F8 A11 L12 P56L4-W53 HydrophobicContact CD1-CE3 4.38Å; L4-W53 HydrophobicContact CD1-CZ3 4.2Å; L4-W53 HydrophobicContact CD2-CD2 4.17Å; L4-W53 HydrophobicContact CD2-CE3 3.87Å; L4-W53 HydrophobicContact CD2-CZ3 4.31Å; F8-W53 HydrophobicContact CB-CH2 4.41Å; F8-W53 HydrophobicContact CB-CZ2 4.35Å; F8-W53 HydrophobicContact CD1-CD2 4.34Å; F8-W53 AromaticContact CD1-CE2 3.53Å; F8-W53 HydrophobicContact CD1-CH2 4.37Å; F8-W53 AromaticContact CD1-CZ2 3.56Å; F8-W53 HydrophobicContact CD1-CZ2 3.56Å; F8-W53 AromaticContact CD1-NE1 3.6Å; F8-W53 AromaticContact CE1-CE2 3.92Å; F8-W53 HydrophobicContact CE1-CZ2 4.36Å; F8-W53 AromaticContact CE1-NE1 3.49Å; F8-W53 HydrophobicContact CG-CZ2 4.4Å; A11-W53 HydrophobicContact CB-CH2 4.16Å; A11-W53 HydrophobicContact CB-CZ2 4Å; L12-W53 HydrophobicContact CB-CH2 4.05Å; L12-W53 HydrophobicContact CB-CZ3 4.23Å; L12-W53 HydrophobicContact CD1-CZ3 4.05Å; W53-P56 HydrophobicContact CE3-CG 4.5Å
54P95Very high92.9Very high88 Ų8842.6 Ų42.657%0.57122%0.223SC*.SBendcis-89.50.310.535.7-36.3000117.1P56P54-P56 WeakPolarHBondContact O-CD 3.45Å
55E94.8Very high93.5Very high158 Ų15836.5 Ų36.574%0.73819%0.193SC*.SBendtrans-116.569.2-176.4-63.4-174174.400112S52S52-E55 PolarHBondContact OG-O 3.47Å
56P97Very high93.6Very high7 Ų739 Ų395%0.04519%0.194CC..  trans-62.5146.9178.222.8-31.5000112.9L12 L15 A50 D51 S52 W53 P54 V59 I81L12-P56 HydrophobicContact CD1-CG 4.5Å; L15-P56 HydrophobicContact CD2-CG 3.85Å; A50-P56 HydrophobicContact CB-CB 4.01Å; A50-P56 HydrophobicContact CB-CG 4.47Å; D51-P56 VanDerWaalsContact OD1-CA 3.27Å; D51-P56 WeakPolarHBondContact OD1-CA 3.45Å; D51-P56 WeakPolarHBondContact OD1-CB 3.38Å; S52-P56 WeakPolarHBondContact O-CA 3.44Å; S52-P56 WeakPolarHBondContact O-CB 3.44Å; W53-P56 HydrophobicContact CE3-CG 4.5Å; P54-P56 WeakPolarHBondContact O-CD 3.45Å; P56-V59 HydrophobicContact CB-CG2 4.32Å; P56-V59 HydrophobicContact CG-CG2 4.15Å; P56-I81 HydrophobicContact CG-CG1 4.31Å; P56-I81 WeakPolarHBondContact O-CB 3.39Å
57N96.5Very high93.4Very high46 Ų4638.6 Ų38.625%0.24619%0.191CC..SBendtrans-82.1-31.4163.8-60.3-75000111.2D51 I81 A82 T89D51-N57 PolarHBondContact OD1-N 2.86Å; D51-N57 WeakPolarHBondContact OD2-CB 3.39Å; D51-N57 PolarHBondContact OD2-ND2 2.86Å; N57-I81 PolarHBondContact O-N 3.47Å; N57-A82 HydrophobicContact CB-CB 3.95Å; N57-A82 PolarHBondContact O-N 2.87Å; N57-T89 HydrophobicContact CB-CG2 4.17Å; N57-T89 PolarHBondContact ND2-OG1 3.42Å
58I96.4Very high92.9Very high6 Ų639.1 Ų39.13%0.03120%0.195CC..EExtended strand (participates in β ladder)trans-146.2144.4-178.5-166.3-177.5000110.4D51 L60 A78 I85 T89 V93D51-I58 HydrophobicContact CB-CG2 3.95Å; D51-I58 PolarHBondContact N-O 3.5Å; D51-I58 PolarHBondContact OD1-N 2.88Å; I58-L60 HydrophobicContact CD1-CD2 3.97Å; I58-A78 HydrophobicContact CD1-CB 3.89Å; I58-I85 HydrophobicContact CD1-CD1 4.06Å; I58-T89 HydrophobicContact CB-CG2 4.44Å; I58-T89 HydrophobicContact CG2-CG2 3.5Å; I58-T89 VanDerWaalsContact CG2-CG2 3.5Å; I58-V93 HydrophobicContact CG2-CG2 3.89Å
59V97Very high92.2Very high0 Ų041.3 Ų41.30%022%0.217CC..EExtended strand (participates in β ladder)trans-114.2134.6166.4178.20000109L12 L26 L48 F49 P56 F79L12-V59 HydrophobicContact CD1-CG2 3.82Å; L12-V59 HydrophobicContact CD2-CG1 4.2Å; L12-V59 HydrophobicContact CD2-CG2 4.21Å; L26-V59 HydrophobicContact CD1-CG1 4.2Å; L26-V59 HydrophobicContact CD2-CB 4.04Å; L26-V59 HydrophobicContact CD2-CG2 4.01Å; L48-V59 HydrophobicContact CD2-CG1 3.98Å; F49-V59 CarbonylContact O-C 3.35Å; F49-V59 VanDerWaalsContact O-CA 3.28Å; F49-V59 WeakPolarHBondContact O-CA 3.39Å; P56-V59 HydrophobicContact CB-CG2 4.32Å; P56-V59 HydrophobicContact CG-CG2 4.15Å; V59-F79 HydrophobicContact CB-CB 4.42Å; V59-F79 PolarHBondContact N-O 2.96Å; V59-F79 WeakPolarHBondContact O-CA 3.4Å; V59-F79 WeakPolarHBondContact O-CB 3.49Å; V59-F79 PolarHBondContact O-N 3.18Å
60L96.6Very high91.6Very high0 Ų043 Ų430%023%0.229CC..EExtended strand (participates in β ladder)trans-106137.5174.7-61.5171.2000109.8M1 L48 F49 I58 Y77 A78 V93 F97 F98M1-L60 HydrophobicContact CE-CD1 3.89Å; L48-L60 CarbonylContact C-O 3.6Å; L48-L60 VanDerWaalsContact CA-O 3.29Å; L48-L60 WeakPolarHBondContact CA-O 3.45Å; F49-L60 HydrophobicContact CB-CB 4.44Å; F49-L60 PolarHBondContact N-O 3.37Å; F49-L60 PolarHBondContact O-N 3.42Å; I58-L60 HydrophobicContact CD1-CD2 3.97Å; L60-Y77 VanDerWaalsContact CA-O 3.3Å; L60-Y77 WeakPolarHBondContact CA-O 3.13Å; L60-A78 HydrophobicContact CD2-CB 4.19Å; L60-V93 HydrophobicContact CD1-CB 4.23Å; L60-V93 HydrophobicContact CD1-CG1 3.43Å; L60-V93 VanDerWaalsContact CD1-CG1 3.43Å; L60-V93 HydrophobicContact CD1-CG2 3.97Å; L60-V93 HydrophobicContact CD2-CG1 4.16Å; L60-V93 HydrophobicContact CG-CG1 4.31Å; L60-F97 HydrophobicContact CD1-CD2 3.52Å; L60-F97 HydrophobicContact CD1-CE2 3.95Å; L60-F97 HydrophobicContact CD1-CG 4.12Å; L60-F98 HydrophobicContact CD2-CE1 4.47Å; L60-F98 HydrophobicContact CD2-CZ 4.14Å
61L95.4Very high91Very high3 Ų350.4 Ų50.42%0.01626%0.261CS..EExtended strand (participates in β ladder)trans-103.9128.8158.5170.566.6000108.2L29 L46 L47 L48 F76 Y77 F79 K221L29-L61 HydrophobicContact CD2-CD2 4.11Å; L46-L61 HydrophobicContact CB-CD1 3.93Å; L46-L61 HydrophobicContact CD2-CD1 4.11Å; L47-L61 WeakPolarHBondContact O-CA 3.49Å; L48-L61 HydrophobicContact CD2-CB 3.79Å; L48-L61 HydrophobicContact CD2-CD1 4.06Å; L48-L61 HydrophobicContact CG-CD1 4.47Å; L61-F76 CarbonylContact O-C 3.58Å; L61-F76 VanDerWaalsContact O-CA 3.3Å; L61-F76 WeakPolarHBondContact O-CA 3.27Å; L61-Y77 HydrophobicContact CB-CD2 4.27Å; L61-Y77 HydrophobicContact CD2-CD2 3.79Å; L61-Y77 HydrophobicContact CD2-CE2 4.29Å; L61-Y77 HydrophobicContact CD2-CG 4.33Å; L61-Y77 HydrophobicContact CG-CD2 4.11Å; L61-Y77 PolarHBondContact N-O 3.41Å; L61-Y77 PolarHBondContact O-N 3.13Å; L61-F79 HydrophobicContact CB-CE2 3.86Å; L61-K221 HydrophobicContact CD2-CD 4.5Å
62E94.4Very high90.6Very high36 Ų3653.1 Ų53.117%0.16828%0.276CS..EExtended strand (participates in β ladder)trans-99.4133.5167.4-177.9172.9-164.400109.6L47 F49 H64 F76L47-E62 HydrophobicContact CB-CB 4.09Å; L47-E62 PolarHBondContact O-N 3.01Å; F49-E62 HydrophobicContact CE2-CB 4.03Å; F49-E62 WeakPolarHBondContact CE2-OE2 3.37Å; E62-H64 IonicContact OE1-NE2 3.34Å; E62-F76 HydrophobicContact CB-CD1 4.12Å; E62-F76 HydrophobicContact CB-CE1 3.92Å; E62-F76 HydrophobicContact CG-CD1 4.25Å; E62-F76 HydrophobicContact CG-CE1 3.65Å; E62-F76 HydrophobicContact CG-CZ 4.29Å
63E91Very high90.4Very high35 Ų3551.4 Ų51.416%0.16426%0.263CS..EExtended strand (participates in β ladder)trans-141149.9174.4177.9172.2-142.900110.3S75 K221E63-S75 PolarHBondContact N-O 2.99Å; E63-S75 PolarHBondContact O-N 3Å; E63-S75 VanDerWaalsContact O-O 3.11Å; E63-K221 WeakPolarHBondContact OE1-CE 2.8Å; E63-K221 IonicContact OE1-NZ 2.6Å; E63-K221 PolarHBondContact OE1-NZ 3.43Å; E63-K221 WeakPolarHBondContact OE2-CE 3.49Å; E63-K221 IonicContact OE2-NZ 2.81Å
64H89Confident90.3Very high61 Ų6148.1 Ų48.128%0.28225%0.251SS..EExtended strand (participates in β ladder)trans-115.2125.4168-68.5-128.9000108.7E62 D72 Y73 Y105E62-H64 IonicContact OE1-NE2 3.34Å; H64-D72 WeakPolarHBondContact CB-OD1 3.48Å; H64-D72 IonicContact CE1-OD2 3.99Å; H64-D72 IonicContact CG-OD1 2.79Å; H64-D72 VanDerWaalsContact ND1-CG 3.35Å; H64-D72 IonicContact ND1-OD1 3.26Å; H64-D72 PolarHBondContact ND1-OD1 2.95Å; H64-D72 IonicContact ND1-OD2 3.96Å; H64-D72 PolarHBondContact ND1-OD2 3.32Å; H64-D72 VanDerWaalsContact ND1-OD2 3.11Å; H64-Y73 WeakPolarHBondContact CA-O 3.42Å; H64-Y105 AromaticContact CE1-CZ 3.78Å; H64-Y105 PolarHBondContact CE1-OH 3.13Å
65S81.9Confident90.2Very high28 Ų2844 Ų4420%0.19622%0.224CC..EExtended strand (participates in β ladder)trans-140.7169.5-177.174.10000111.8Y67 K71 Y73S65-Y67 PolarHBondContact O-N 2.94Å; S65-K71 CarbonylContact C-O 3.39Å; S65-K71 CarbonylContact O-C 3.59Å; S65-Y73 PolarHBondContact N-O 2.8Å; S65-Y73 VanDerWaalsContact N-O 3.09Å; S65-Y73 WeakPolarHBondContact O-CA 3.47Å; S65-Y73 WeakPolarHBondContact O-CB 3.22Å; S65-Y73 PolarHBondContact O-N 3.22Å
66R82.2Confident90.2Very high111 Ų11136.5 Ų36.542%0.41919%0.189SC..EExtended strand (participates in β ladder)trans-76.3125.4173-175.6-177.1-71.2-13210.6109.9V70 K71R66-V70 CarbonylContact C-O 3.45Å; R66-V70 WeakPolarHBondContact CA-O 3.38Å; R66-V70 WeakPolarHBondContact CG-O 3.33Å; R66-K71 PolarHBondContact N-O 2.79Å
67Y85.3Confident90.2Very high14 Ų1437.1 Ų37.16%0.05519%0.191CC..EExtended strand (participates in β ladder)trans-144.1124.8175.5-174.9-108.1000110.8S65 G69 V70 Y73 L109 E138 Y186S65-Y67 PolarHBondContact O-N 2.94Å; Y67-G69 VanDerWaalsContact C-N 3.34Å; Y67-G69 PolarHBondContact O-N 3.32Å; Y67-V70 PolarHBondContact N-O 3.25Å; Y67-V70 WeakPolarHBondContact O-CB 3.47Å; Y67-V70 PolarHBondContact O-N 3.35Å; Y67-Y73 HydrophobicContact CD1-CD1 4.17Å; Y67-Y73 AromaticContact CD1-CD2 3.96Å; Y67-Y73 HydrophobicContact CD1-CD2 3.96Å; Y67-Y73 HydrophobicContact CD1-CE1 4.04Å; Y67-Y73 AromaticContact CD1-CE2 3.77Å; Y67-Y73 HydrophobicContact CD1-CE2 3.77Å; Y67-Y73 HydrophobicContact CD1-CG 4.14Å; Y67-Y73 AromaticContact CD1-CZ 3.81Å; Y67-Y73 HydrophobicContact CG-CD1 4.45Å; Y67-Y73 HydrophobicContact CG-CG 4.36Å; Y67-L109 HydrophobicContact CD1-CD1 3.77Å; Y67-L109 HydrophobicContact CD2-CD1 3.64Å; Y67-L109 HydrophobicContact CE1-CD1 3.82Å; Y67-L109 HydrophobicContact CE1-CD2 4.12Å; Y67-L109 HydrophobicContact CE1-CG 4.29Å; Y67-L109 HydrophobicContact CE2-CD1 3.73Å; Y67-L109 HydrophobicContact CG-CD1 3.66Å; Y67-E138 PolarHBondContact OH-OE1 2.94Å; Y67-Y186 AromaticContact CD2-CD2 3.76Å; Y67-Y186 HydrophobicContact CD2-CD2 3.76Å; Y67-Y186 AromaticContact CD2-CE2 3.66Å; Y67-Y186 HydrophobicContact CD2-CE2 3.66Å; Y67-Y186 HydrophobicContact CD2-CG 4.43Å; Y67-Y186 AromaticContact CE2-CD2 3.94Å; Y67-Y186 HydrophobicContact CE2-CD2 3.94Å; Y67-Y186 HydrophobicContact CE2-CE2 4.14Å; Y67-Y186 HydrophobicContact CE2-CG 4.16Å
68N83.9Confident90.1Very high70 Ų7035 Ų3537%0.37418%0.179SC..THydrogen-bonded Turntrans47.751.5175-75.1-28000113.8V70 D187N68-V70 PolarHBondContact O-N 3.04Å; N68-D187 PolarHBondContact N-O 3.37Å; N68-D187 PolarHBondContact OD1-N 3.34Å
69G81.1Confident90Very high45 Ų4534.9 Ų34.946%0.46418%0.179SC..THydrogen-bonded Turntrans80.8-13.5179.500000115.7Y67 D187Y67-G69 VanDerWaalsContact C-N 3.34Å; Y67-G69 PolarHBondContact O-N 3.32Å; G69-D187 VanDerWaalsContact CA-OD2 3.25Å; G69-D187 WeakPolarHBondContact CA-OD2 3.41Å; G69-D187 PolarHBondContact N-OD2 2.83Å
70V84Confident89.9Confident60 Ų6035 Ų3536%0.36418%0.179SC..EExtended strand (participates in β ladder)trans-86.2126175.3-1770000108.9R66 Y67 N68 Y73R66-V70 CarbonylContact C-O 3.45Å; R66-V70 WeakPolarHBondContact CA-O 3.38Å; R66-V70 WeakPolarHBondContact CG-O 3.33Å; Y67-V70 PolarHBondContact N-O 3.25Å; Y67-V70 WeakPolarHBondContact O-CB 3.47Å; Y67-V70 PolarHBondContact O-N 3.35Å; N68-V70 PolarHBondContact O-N 3.04Å; V70-Y73 HydrophobicContact CB-CD2 3.78Å; V70-Y73 HydrophobicContact CG1-CD2 3.94Å; V70-Y73 HydrophobicContact CG1-CG 4.48Å; V70-Y73 HydrophobicContact CG2-CD2 4.03Å
71K84.3Confident89.9Confident157 Ų15735.3 Ų35.368%0.68318%0.181SC*.EExtended strand (participates in β ladder)trans-78.3-32.7-176.2-71.1-175.7-179.4178.60114.4S65 R66S65-K71 CarbonylContact C-O 3.39Å; S65-K71 CarbonylContact O-C 3.59Å; R66-K71 PolarHBondContact N-O 2.79Å
72D87.2Confident89.8Confident81 Ų8136.1 Ų36.143%0.43319%0.188SC..EExtended strand (participates in β ladder)trans-120.958-172.5-16958.4000109.6H64 Y105H64-D72 WeakPolarHBondContact CB-OD1 3.48Å; H64-D72 IonicContact CE1-OD2 3.99Å; H64-D72 IonicContact CG-OD1 2.79Å; H64-D72 VanDerWaalsContact ND1-CG 3.35Å; H64-D72 IonicContact ND1-OD1 3.26Å; H64-D72 PolarHBondContact ND1-OD1 2.95Å; H64-D72 IonicContact ND1-OD2 3.96Å; H64-D72 PolarHBondContact ND1-OD2 3.32Å; H64-D72 VanDerWaalsContact ND1-OD2 3.11Å; D72-Y105 PolarHBondContact OD2-OH 2.96Å
73Y89Confident89.5Confident4 Ų444.5 Ų44.52%0.01622%0.218CC..EExtended strand (participates in β ladder)trans-86124.8-174-163.1-76.8000110.4H64 S65 Y67 V70 S75 E107 L109H64-Y73 WeakPolarHBondContact CA-O 3.42Å; S65-Y73 PolarHBondContact N-O 2.8Å; S65-Y73 VanDerWaalsContact N-O 3.09Å; S65-Y73 WeakPolarHBondContact O-CA 3.47Å; S65-Y73 WeakPolarHBondContact O-CB 3.22Å; S65-Y73 PolarHBondContact O-N 3.22Å; Y67-Y73 HydrophobicContact CD1-CD1 4.17Å; Y67-Y73 AromaticContact CD1-CD2 3.96Å; Y67-Y73 HydrophobicContact CD1-CD2 3.96Å; Y67-Y73 HydrophobicContact CD1-CE1 4.04Å; Y67-Y73 AromaticContact CD1-CE2 3.77Å; Y67-Y73 HydrophobicContact CD1-CE2 3.77Å; Y67-Y73 HydrophobicContact CD1-CG 4.14Å; Y67-Y73 AromaticContact CD1-CZ 3.81Å; Y67-Y73 HydrophobicContact CG-CD1 4.45Å; Y67-Y73 HydrophobicContact CG-CG 4.36Å; V70-Y73 HydrophobicContact CB-CD2 3.78Å; V70-Y73 HydrophobicContact CG1-CD2 3.94Å; V70-Y73 HydrophobicContact CG1-CG 4.48Å; V70-Y73 HydrophobicContact CG2-CD2 4.03Å; Y73-S75 PolarHBondContact O-N 2.88Å; Y73-E107 VanDerWaalsContact CE2-CD 3.46Å; Y73-E107 HydrophobicContact CE2-CG 3.81Å; Y73-E107 WeakPolarHBondContact CE2-OE1 3.24Å; Y73-E107 VanDerWaalsContact OH-CG 3.27Å; Y73-E107 WeakPolarHBondContact OH-CG 3.01Å; Y73-E107 PolarHBondContact OH-OE2 3.3Å; Y73-L109 HydrophobicContact CD1-CD1 4.09Å; Y73-L109 HydrophobicContact CD1-CG 4.24Å; Y73-L109 HydrophobicContact CE1-CB 4.36Å; Y73-L109 HydrophobicContact CE1-CD1 3.94Å; Y73-L109 HydrophobicContact CE1-CG 3.66Å
74P93.5Very high89.4Confident1 Ų150.4 Ų50.41%0.00624%0.243CC..EExtended strand (participates in β ladder)trans-71.3127.5-176.930.1-36.5000111.3F76 Y105 E107 F108 L109P74-F76 HydrophobicContact CB-CE2 4.46Å; P74-Y105 HydrophobicContact CB-CD2 4.11Å; P74-Y105 HydrophobicContact CB-CE2 4.33Å; P74-Y105 HydrophobicContact CG-CD1 4.26Å; P74-Y105 HydrophobicContact CG-CD2 3.66Å; P74-Y105 HydrophobicContact CG-CE2 4.3Å; P74-Y105 HydrophobicContact CG-CG 3.66Å; P74-E107 VanDerWaalsContact CG-O 3.31Å; P74-E107 WeakPolarHBondContact CG-O 3.34Å; P74-F108 HydrophobicContact CB-CB 4.16Å; P74-F108 HydrophobicContact CG-CB 3.8Å; P74-F108 WeakPolarHBondContact O-CA 3.47Å; P74-F108 WeakPolarHBondContact O-CB 3.44Å; P74-L109 PolarHBondContact O-N 2.93Å
75S93.7Very high89.6Confident1 Ų147.7 Ų47.71%0.00723%0.231CC..EExtended strand (participates in β ladder)trans-130.9133.6179.9-60.60000110E63 Y73 L109E63-S75 PolarHBondContact N-O 2.99Å; E63-S75 PolarHBondContact O-N 3Å; E63-S75 VanDerWaalsContact O-O 3.11Å; Y73-S75 PolarHBondContact O-N 2.88Å; S75-L109 CarbonylContact C-O 3.45Å; S75-L109 WeakPolarHBondContact CA-O 3.24Å
76F95.3Very high90.2Very high0 Ų049 Ų490%024%0.238CC..EExtended strand (participates in β ladder)trans-119.7140.4177.7-64-80000110.4L61 E62 P74 F97 F98 S101 F108 L109 L110 Y111L61-F76 CarbonylContact O-C 3.58Å; L61-F76 VanDerWaalsContact O-CA 3.3Å; L61-F76 WeakPolarHBondContact O-CA 3.27Å; E62-F76 HydrophobicContact CB-CD1 4.12Å; E62-F76 HydrophobicContact CB-CE1 3.92Å; E62-F76 HydrophobicContact CG-CD1 4.25Å; E62-F76 HydrophobicContact CG-CE1 3.65Å; E62-F76 HydrophobicContact CG-CZ 4.29Å; P74-F76 HydrophobicContact CB-CE2 4.46Å; F76-F97 HydrophobicContact CE1-CB 3.96Å; F76-F97 HydrophobicContact CE1-CD1 4.27Å; F76-F97 HydrophobicContact CE1-CG 4.47Å; F76-F97 HydrophobicContact CZ-CB 4.29Å; F76-F98 HydrophobicContact CB-CE1 3.86Å; F76-F98 HydrophobicContact CD1-CD1 4.41Å; F76-F98 HydrophobicContact CD1-CE1 4.11Å; F76-F98 AromaticContact CD2-CD1 3.94Å; F76-F98 HydrophobicContact CD2-CD1 3.94Å; F76-F98 HydrophobicContact CD2-CE1 4.06Å; F76-F98 HydrophobicContact CE2-CD1 4.19Å; F76-F98 HydrophobicContact CG-CD1 4.05Å; F76-F98 AromaticContact CG-CE1 3.73Å; F76-F98 HydrophobicContact CG-CE1 3.73Å; F76-S101 WeakPolarHBondContact CZ-OG 3.31Å; F76-F108 HydrophobicContact CD2-CB 4.28Å; F76-F108 AromaticContact CD2-CD2 3.75Å; F76-F108 HydrophobicContact CD2-CD2 3.75Å; F76-F108 HydrophobicContact CD2-CE2 4.39Å; F76-F108 HydrophobicContact CD2-CG 4.18Å; F76-F108 HydrophobicContact CE2-CB 4.15Å; F76-F108 HydrophobicContact CE2-CD2 4.18Å; F76-F108 HydrophobicContact CE2-CG 4.17Å; F76-L109 PolarHBondContact N-O 2.94Å; F76-L110 HydrophobicContact CB-CD1 3.8Å; F76-L110 CarbonylContact O-C 3.58Å; F76-L110 WeakPolarHBondContact O-CA 3.47Å; F76-Y111 PolarHBondContact O-N 2.86Å
77Y95.7Very high90.7Very high21 Ų2150.1 Ų50.18%0.08224%0.243CC..EExtended strand (participates in β ladder)trans-115.4121.2169.1-57.9-105.1000109.1L60 L61 F79 Y111 K221 M222L60-Y77 VanDerWaalsContact CA-O 3.3Å; L60-Y77 WeakPolarHBondContact CA-O 3.13Å; L61-Y77 HydrophobicContact CB-CD2 4.27Å; L61-Y77 HydrophobicContact CD2-CD2 3.79Å; L61-Y77 HydrophobicContact CD2-CE2 4.29Å; L61-Y77 HydrophobicContact CD2-CG 4.33Å; L61-Y77 HydrophobicContact CG-CD2 4.11Å; L61-Y77 PolarHBondContact N-O 3.41Å; L61-Y77 PolarHBondContact O-N 3.13Å; Y77-F79 HydrophobicContact CG-CZ 4.28Å; Y77-Y111 VanDerWaalsContact CD1-CB 3.5Å; Y77-Y111 AromaticContact CD1-CD2 3.94Å; Y77-Y111 HydrophobicContact CD1-CD2 3.94Å; Y77-Y111 HydrophobicContact CD1-CG 4.05Å; Y77-Y111 HydrophobicContact CD2-CD2 4.31Å; Y77-Y111 AromaticContact CE1-CD2 3.52Å; Y77-Y111 HydrophobicContact CE1-CD2 3.52Å; Y77-Y111 HydrophobicContact CE1-CE2 4.3Å; Y77-Y111 AromaticContact CE1-CG 3.78Å; Y77-Y111 HydrophobicContact CE1-CG 3.78Å; Y77-Y111 AromaticContact CE2-CD2 3.93Å; Y77-Y111 HydrophobicContact CE2-CD2 3.93Å; Y77-Y111 HydrophobicContact CE2-CE2 4.41Å; Y77-Y111 HydrophobicContact CG-CD2 4.3Å; Y77-Y111 AromaticContact CZ-CD2 3.5Å; Y77-Y111 AromaticContact CZ-CE2 3.93Å; Y77-K221 HydrophobicContact CE1-CB 4.01Å; Y77-K221 HydrophobicContact CE2-CB 4.34Å; Y77-K221 HydrophobicContact CE2-CG 4.23Å; Y77-M222 HydrophobicContact CD1-CG 4.17Å; Y77-M222 HydrophobicContact CD1-SD 3.58Å; Y77-M222 VanDerWaalsContact CD1-SD 3.58Å; Y77-M222 HydrophobicContact CE1-CG 3.96Å; Y77-M222 HydrophobicContact CE1-SD 3.97Å
78A95.1Very high91.1Very high0 Ų057.1 Ų57.10%027%0.273CS..EExtended strand (participates in β ladder)trans-95.5107.4178.900000110.6I58 L60 P80 L110 Y111 H112 L113I58-A78 HydrophobicContact CD1-CB 3.89Å; L60-A78 HydrophobicContact CD2-CB 4.19Å; A78-P80 WeakPolarHBondContact O-CD 3.28Å; A78-L110 HydrophobicContact CB-CD1 4.02Å; A78-Y111 PolarHBondContact N-O 2.72Å; A78-H112 CarbonylContact O-C 3.6Å; A78-H112 WeakPolarHBondContact O-CB 3.1Å; A78-L113 HydrophobicContact CB-CB 4.32Å; A78-L113 HydrophobicContact CB-CD1 4.13Å
79F95.3Very high91.6Very high5 Ų554.4 Ų54.42%0.02226%0.259CS..EExtended strand (participates in β ladder)trans-101.894.6177-55.8-68.8000110.7A25 L26 L29 V59 L61 Y77 I81 H112 M222A25-F79 HydrophobicContact CB-CD1 3.95Å; A25-F79 HydrophobicContact CB-CE1 3.75Å; L26-F79 HydrophobicContact CB-CB 4.01Å; L26-F79 HydrophobicContact CB-CD1 4.22Å; L26-F79 HydrophobicContact CB-CG 4.02Å; L26-F79 HydrophobicContact CD1-CB 4.47Å; L26-F79 HydrophobicContact CD1-CD2 3.98Å; L26-F79 HydrophobicContact CD1-CE2 4.48Å; L26-F79 HydrophobicContact CD1-CG 4.26Å; L26-F79 HydrophobicContact CD2-CB 4.2Å; L26-F79 HydrophobicContact CG-CB 4.46Å; L29-F79 HydrophobicContact CD2-CE2 3.86Å; L29-F79 HydrophobicContact CD2-CZ 3.95Å; V59-F79 HydrophobicContact CB-CB 4.42Å; V59-F79 PolarHBondContact N-O 2.96Å; V59-F79 WeakPolarHBondContact O-CA 3.4Å; V59-F79 WeakPolarHBondContact O-CB 3.49Å; V59-F79 PolarHBondContact O-N 3.18Å; L61-F79 HydrophobicContact CB-CE2 3.86Å; Y77-F79 HydrophobicContact CG-CZ 4.28Å; F79-I81 PolarHBondContact O-N 3.12Å; F79-H112 AromaticContact CD1-CD2 3.87Å; F79-H112 AromaticContact CE1-CD2 3.81Å; F79-M222 HydrophobicContact CE1-SD 4.15Å
80P94.7Very high92.1Very high1 Ų152.7 Ų52.71%0.00624%0.24CC..EExtended strand (participates in β ladder)trans-67.6130176.728.6-36.3000111.2A78 I85 P114A78-P80 WeakPolarHBondContact O-CD 3.28Å; P80-I85 HydrophobicContact CB-CD1 4.03Å; P80-I85 HydrophobicContact CB-CG1 4.24Å; P80-P114 HydrophobicContact CB-CG 4.19Å; P80-P114 HydrophobicContact CG-CG 3.69Å
81I95.6Very high92.5Very high8 Ų851.8 Ų51.84%0.04123%0.233CC..  trans-93.5-44.5166.5-51.4-59.9000109.3L15 H19 T23 L26 P56 N57 F79L15-I81 HydrophobicContact CD2-CG2 4.48Å; H19-I81 HydrophobicContact CB-CG2 4.42Å; T23-I81 HydrophobicContact CG2-CD1 3.57Å; L26-I81 HydrophobicContact CD2-CD1 3.63Å; P56-I81 HydrophobicContact CG-CG1 4.31Å; P56-I81 WeakPolarHBondContact O-CB 3.39Å; N57-I81 PolarHBondContact O-N 3.47Å; F79-I81 PolarHBondContact O-N 3.12Å
82A92.8Very high92.8Very high20 Ų2046.6 Ų46.617%0.16522%0.216CC..SBendtrans-67.6149.7177.900000111.2R22 N57 K84R22-A82 WeakPolarHBondContact CD-O 3.44Å; R22-A82 PolarHBondContact NH1-O 3.36Å; N57-A82 HydrophobicContact CB-CB 3.95Å; N57-A82 PolarHBondContact O-N 2.87Å; A82-K84 VanDerWaalsContact C-N 3.3Å; A82-K84 PolarHBondContact O-N 2.94Å
83R88.5Confident93.1Very high211 Ų21142.9 Ų42.980%0.79620%0.196SC*.SBendtrans-65.1-36.8173.9-81-170.5179.9178.10.1112.7R22R22-R83 PolarHBondContact NH1-O 2.89Å; R22-R83 PolarHBondContact NH2-O 3.41Å
84K88.8Confident93.2Very high160 Ų16042.9 Ų42.970%0.69620%0.197SC*.SBendtrans-133.1125.5175.1179.8174-176.2172.60107.1A82 P86A82-K84 VanDerWaalsContact C-N 3.3Å; A82-K84 PolarHBondContact O-N 2.94Å; K84-P86 WeakPolarHBondContact O-CD 3.4Å
85I92.9Very high93Very high4 Ų449.3 Ų49.32%0.02123%0.227CC..  trans-76.5124.6-178.9-51.6177.8000107.8I58 P80 R87 T89 I90 D117I58-I85 HydrophobicContact CD1-CD1 4.06Å; P80-I85 HydrophobicContact CB-CD1 4.03Å; P80-I85 HydrophobicContact CB-CG1 4.24Å; I85-R87 PolarHBondContact O-N 2.9Å; I85-T89 HydrophobicContact CG2-CG2 3.65Å; I85-I90 HydrophobicContact CB-CD1 4.28Å; I85-I90 HydrophobicContact CB-CG1 4.2Å; I85-I90 HydrophobicContact CG2-CD1 4.27Å; I85-I90 HydrophobicContact CG2-CG1 3.64Å; I85-D117 HydrophobicContact CD1-CB 4.49Å; I85-D117 WeakPolarHBondContact CD1-OD2 3.44Å; I85-D117 VanDerWaalsContact CG1-OD2 3.31Å; I85-D117 WeakPolarHBondContact CG1-OD2 3.46Å
86P94.1Very high92.9Very high55 Ų5551.4 Ų51.436%0.35724%0.244SC..  trans-59.7138.8175.5-2334000110.3K84 K88 T89 I90K84-P86 WeakPolarHBondContact O-CD 3.4Å; P86-K88 PolarHBondContact O-N 2.97Å; P86-T89 WeakPolarHBondContact O-CA 3.44Å; P86-T89 VanDerWaalsContact O-CB 3.26Å; P86-T89 WeakPolarHBondContact O-CB 3.47Å; P86-T89 PolarHBondContact O-N 2.95Å; P86-I90 PolarHBondContact O-N 2.89Å
87R92.9Very high92.7Very high135 Ų13552.3 Ų52.351%0.50925%0.248SC..Hα-helixtrans-50.7-45.7176.9175.5171.6176.4173.20.1112I85 T89 I90 D91 T120I85-R87 PolarHBondContact O-N 2.9Å; R87-T89 PolarHBondContact O-N 2.8Å; R87-T89 VanDerWaalsContact O-N 3.15Å; R87-I90 CarbonylContact O-C 3.49Å; R87-I90 WeakPolarHBondContact O-CA 3.44Å; R87-I90 WeakPolarHBondContact O-CB 3.3Å; R87-I90 PolarHBondContact O-N 3.02Å; R87-D91 WeakPolarHBondContact CG-OD1 3.29Å; R87-D91 IonicContact NE-OD1 3.2Å; R87-D91 PolarHBondContact O-N 3.09Å; R87-D91 VanDerWaalsContact O-OD1 3.06Å; R87-T120 HydrophobicContact CB-CG2 4.27Å; R87-T120 HydrophobicContact CG-CG2 3.84Å
88K93.6Very high92.4Very high161 Ų16151.5 Ų51.570%0.725%0.245SC*.Hα-helixtrans-54.6-34.9176.5-174.5-176.3177.4-173.90113.2P86 S92P86-K88 PolarHBondContact O-N 2.97Å; K88-S92 WeakPolarHBondContact O-CB 3.43Å; K88-S92 PolarHBondContact O-N 3.44Å; K88-S92 PolarHBondContact O-OG 2.94Å
89T95Very high92.1Very high12 Ų1252.5 Ų52.57%0.07425%0.25CS..Hα-helixtrans-67.7-46.3174.7-68.70000110.5D51 N57 I58 I85 P86 R87 D91 S92 V93D51-T89 HydrophobicContact CB-CG2 3.71Å; D51-T89 WeakPolarHBondContact OD2-CG2 3.42Å; D51-T89 PolarHBondContact OD2-OG1 3.26Å; N57-T89 HydrophobicContact CB-CG2 4.17Å; N57-T89 PolarHBondContact ND2-OG1 3.42Å; I58-T89 HydrophobicContact CB-CG2 4.44Å; I58-T89 HydrophobicContact CG2-CG2 3.5Å; I58-T89 VanDerWaalsContact CG2-CG2 3.5Å; I85-T89 HydrophobicContact CG2-CG2 3.65Å; P86-T89 WeakPolarHBondContact O-CA 3.44Å; P86-T89 VanDerWaalsContact O-CB 3.26Å; P86-T89 WeakPolarHBondContact O-CB 3.47Å; P86-T89 PolarHBondContact O-N 2.95Å; R87-T89 PolarHBondContact O-N 2.8Å; R87-T89 VanDerWaalsContact O-N 3.15Å; T89-D91 VanDerWaalsContact C-N 3.32Å; T89-D91 PolarHBondContact O-N 2.85Å; T89-S92 PolarHBondContact O-N 3.17Å; T89-V93 HydrophobicContact CG2-CG2 4.4Å; T89-V93 WeakPolarHBondContact O-CB 3.46Å; T89-V93 WeakPolarHBondContact O-CG2 3.22Å; T89-V93 PolarHBondContact O-N 3.22Å
90I92.9Very high91.8Very high10 Ų1054.7 Ų54.75%0.05127%0.265CS..Hα-helixtrans-60.8-43.5176.3-55.7178.6000110.3I85 P86 R87 S92 V93 S94 D117 T120 L121 L124I85-I90 HydrophobicContact CB-CD1 4.28Å; I85-I90 HydrophobicContact CB-CG1 4.2Å; I85-I90 HydrophobicContact CG2-CD1 4.27Å; I85-I90 HydrophobicContact CG2-CG1 3.64Å; P86-I90 PolarHBondContact O-N 2.89Å; R87-I90 CarbonylContact O-C 3.49Å; R87-I90 WeakPolarHBondContact O-CA 3.44Å; R87-I90 WeakPolarHBondContact O-CB 3.3Å; R87-I90 PolarHBondContact O-N 3.02Å; I90-S92 PolarHBondContact O-N 2.96Å; I90-V93 PolarHBondContact O-N 2.97Å; I90-S94 VanDerWaalsContact O-CB 3.29Å; I90-S94 WeakPolarHBondContact O-CB 3.2Å; I90-S94 PolarHBondContact O-N 3.44Å; I90-D117 HydrophobicContact CD1-CB 3.93Å; I90-T120 HydrophobicContact CB-CG2 4.39Å; I90-T120 HydrophobicContact CD1-CG2 3.81Å; I90-T120 HydrophobicContact CG2-CG2 4.4Å; I90-L121 HydrophobicContact CG2-CB 4.23Å; I90-L121 HydrophobicContact CG2-CD1 4.4Å; I90-L124 HydrophobicContact CB-CD1 4.16Å; I90-L124 HydrophobicContact CG2-CD1 3.59Å
91D91.1Very high91.4Very high41 Ų4155.1 Ų55.122%0.21927%0.268CS..Hα-helixtrans-55.1-53.3175.2-56.2-10.7000110.4R87 T89 V93 S94 E95 L124R87-D91 WeakPolarHBondContact CG-OD1 3.29Å; R87-D91 IonicContact NE-OD1 3.2Å; R87-D91 PolarHBondContact O-N 3.09Å; R87-D91 VanDerWaalsContact O-OD1 3.06Å; T89-D91 VanDerWaalsContact C-N 3.32Å; T89-D91 PolarHBondContact O-N 2.85Å; D91-V93 VanDerWaalsContact C-N 3.34Å; D91-V93 PolarHBondContact O-N 3.49Å; D91-S94 PolarHBondContact O-N 3.08Å; D91-E95 WeakPolarHBondContact O-CG 3.29Å; D91-E95 PolarHBondContact O-N 3.32Å; D91-L124 HydrophobicContact CB-CD2 4.47Å; D91-L124 WeakPolarHBondContact OD1-CD1 3.49Å; D91-L124 WeakPolarHBondContact OD1-CD2 3Å; D91-L124 WeakPolarHBondContact OD1-CG 3.15Å
92S92.1Very high91Very high48 Ų4854.9 Ų54.934%0.33627%0.267SS..Hα-helixtrans-63.2-38.9-177.6-56.30000112.7K88 T89 I90 A96K88-S92 WeakPolarHBondContact O-CB 3.43Å; K88-S92 PolarHBondContact O-N 3.44Å; K88-S92 PolarHBondContact O-OG 2.94Å; T89-S92 PolarHBondContact O-N 3.17Å; I90-S92 PolarHBondContact O-N 2.96Å; S92-A96 VanDerWaalsContact O-CB 3.24Å; S92-A96 WeakPolarHBondContact O-CB 3.41Å; S92-A96 PolarHBondContact O-N 3.29Å; S92-A96 VanDerWaalsContact O-N 3.15Å
93V93Very high90.6Very high3 Ų359.9 Ų59.92%0.01829%0.287CS..Hα-helixtrans-66.6-44.8175.81600000110.7M1 I58 L60 T89 I90 D91 A96 F97 F98M1-V93 HydrophobicContact CE-CG2 3.83Å; M1-V93 HydrophobicContact SD-CG2 3.84Å; I58-V93 HydrophobicContact CG2-CG2 3.89Å; L60-V93 HydrophobicContact CD1-CB 4.23Å; L60-V93 HydrophobicContact CD1-CG1 3.43Å; L60-V93 VanDerWaalsContact CD1-CG1 3.43Å; L60-V93 HydrophobicContact CD1-CG2 3.97Å; L60-V93 HydrophobicContact CD2-CG1 4.16Å; L60-V93 HydrophobicContact CG-CG1 4.31Å; T89-V93 HydrophobicContact CG2-CG2 4.4Å; T89-V93 WeakPolarHBondContact O-CB 3.46Å; T89-V93 WeakPolarHBondContact O-CG2 3.22Å; T89-V93 PolarHBondContact O-N 3.22Å; I90-V93 PolarHBondContact O-N 2.97Å; D91-V93 VanDerWaalsContact C-N 3.34Å; D91-V93 PolarHBondContact O-N 3.49Å; V93-A96 PolarHBondContact O-N 2.77Å; V93-F97 PolarHBondContact O-N 3.18Å; V93-F98 HydrophobicContact CG1-CD2 4.08Å; V93-F98 HydrophobicContact CG1-CE1 4.15Å; V93-F98 HydrophobicContact CG1-CE2 3.46Å; V93-F98 VanDerWaalsContact CG1-CE2 3.46Å; V93-F98 HydrophobicContact CG1-CZ 3.49Å; V93-F98 VanDerWaalsContact CG1-CZ 3.49Å
94S90.9Very high90.5Very high3 Ų354.9 Ų54.92%0.02128%0.28CS..Iπ-helixtrans-62.4-45.8-179.7-171.90000111.4I90 D91 A96 F98 L99I90-S94 VanDerWaalsContact O-CB 3.29Å; I90-S94 WeakPolarHBondContact O-CB 3.2Å; I90-S94 PolarHBondContact O-N 3.44Å; D91-S94 PolarHBondContact O-N 3.08Å; S94-A96 PolarHBondContact O-N 3.14Å; S94-F98 PolarHBondContact O-N 2.81Å; S94-L99 WeakPolarHBondContact O-CB 3.27Å; S94-L99 WeakPolarHBondContact O-CG 3.29Å; S94-L99 PolarHBondContact O-N 2.82Å
95E89.6Confident90.4Very high137 Ų13751.6 Ų51.664%0.6426%0.263SS*.Iπ-helixtrans-64.3-37.9177.5-72.3177.8177.300112.9D91 L99 P100D91-E95 WeakPolarHBondContact O-CG 3.29Å; D91-E95 PolarHBondContact O-N 3.32Å; E95-L99 HydrophobicContact CG-CD1 4.49Å; E95-P100 VanDerWaalsContact O-CD 3.26Å; E95-P100 WeakPolarHBondContact O-CD 3.35Å; E95-P100 WeakPolarHBondContact O-CG 3.15Å
96A91Very high90.2Very high45 Ų4552.5 Ų52.537%0.37227%0.274SS..Iπ-helixtrans-81.9-30.7-174.800000114.2M1 S92 V93 S94M1-A96 HydrophobicContact CB-CB 4.42Å; M1-A96 HydrophobicContact CG-CB 3.55Å; S92-A96 VanDerWaalsContact O-CB 3.24Å; S92-A96 WeakPolarHBondContact O-CB 3.41Å; S92-A96 PolarHBondContact O-N 3.29Å; S92-A96 VanDerWaalsContact O-N 3.15Å; V93-A96 PolarHBondContact O-N 2.77Å; S94-A96 PolarHBondContact O-N 3.14Å
97F90.9Very high90Very high18 Ų1851.8 Ų51.88%0.07927%0.266CS..Iπ-helixtrans-126.6-58.1-171.7-66.3-77.1000112.8M1 F49 L60 F76 V93 P100 S101M1-F97 HydrophobicContact CB-CE2 3.69Å; M1-F97 HydrophobicContact CB-CZ 4.07Å; M1-F97 HydrophobicContact CE-CD2 4.19Å; M1-F97 HydrophobicContact CE-CE2 3.53Å; M1-F97 HydrophobicContact CE-CZ 4.5Å; M1-F97 HydrophobicContact CG-CD2 4.21Å; M1-F97 HydrophobicContact CG-CE2 3.48Å; M1-F97 VanDerWaalsContact CG-CE2 3.48Å; M1-F97 HydrophobicContact CG-CZ 4.34Å; M1-F97 HydrophobicContact SD-CE2 4.15Å; F49-F97 HydrophobicContact CB-CE1 4.38Å; F49-F97 HydrophobicContact CB-CE2 3.97Å; F49-F97 HydrophobicContact CB-CZ 3.58Å; F49-F97 AromaticContact CD1-CE1 3.8Å; F49-F97 HydrophobicContact CD1-CE1 3.8Å; F49-F97 HydrophobicContact CD1-CE2 4.45Å; F49-F97 AromaticContact CD1-CZ 3.35Å; F49-F97 HydrophobicContact CD1-CZ 3.35Å; F49-F97 HydrophobicContact CD2-CD1 4.48Å; F49-F97 AromaticContact CD2-CE1 3.57Å; F49-F97 HydrophobicContact CD2-CE1 3.57Å; F49-F97 AromaticContact CD2-CZ 3.65Å; F49-F97 HydrophobicContact CD2-CZ 3.65Å; F49-F97 AromaticContact CE1-CE1 3.8Å; F49-F97 HydrophobicContact CE1-CE1 3.8Å; F49-F97 AromaticContact CE1-CZ 3.8Å; F49-F97 HydrophobicContact CE1-CZ 3.8Å; F49-F97 HydrophobicContact CE2-CD1 4.49Å; F49-F97 AromaticContact CE2-CE1 3.59Å; F49-F97 HydrophobicContact CE2-CE1 3.59Å; F49-F97 HydrophobicContact CE2-CZ 4.09Å; F49-F97 AromaticContact CG-CE1 3.66Å; F49-F97 HydrophobicContact CG-CE1 3.66Å; F49-F97 HydrophobicContact CG-CE2 4.11Å; F49-F97 AromaticContact CG-CZ 3.24Å; F49-F97 HydrophobicContact CG-CZ 3.24Å; F49-F97 AromaticContact CZ-CE1 3.7Å; F49-F97 HydrophobicContact CZ-CE1 3.7Å; F49-F97 HydrophobicContact CZ-CZ 4.15Å; L60-F97 HydrophobicContact CD1-CD2 3.52Å; L60-F97 HydrophobicContact CD1-CE2 3.95Å; L60-F97 HydrophobicContact CD1-CG 4.12Å; F76-F97 HydrophobicContact CE1-CB 3.96Å; F76-F97 HydrophobicContact CE1-CD1 4.27Å; F76-F97 HydrophobicContact CE1-CG 4.47Å; F76-F97 HydrophobicContact CZ-CB 4.29Å; V93-F97 PolarHBondContact O-N 3.18Å; F97-P100 WeakPolarHBondContact O-CD 3.16Å; F97-S101 WeakPolarHBondContact O-CB 3.48Å; F97-S101 PolarHBondContact O-N 3.25Å; F97-S101 PolarHBondContact O-OG 2.81Å
98F90.3Very high90.1Very high5 Ų545.4 Ų45.42%0.02224%0.242CC..Iπ-helixtrans-68.4-45.4-168.7-56.8-24000112.3L60 F76 V93 S94 F102 F108 L110 L121L60-F98 HydrophobicContact CD2-CE1 4.47Å; L60-F98 HydrophobicContact CD2-CZ 4.14Å; F76-F98 HydrophobicContact CB-CE1 3.86Å; F76-F98 HydrophobicContact CD1-CD1 4.41Å; F76-F98 HydrophobicContact CD1-CE1 4.11Å; F76-F98 AromaticContact CD2-CD1 3.94Å; F76-F98 HydrophobicContact CD2-CD1 3.94Å; F76-F98 HydrophobicContact CD2-CE1 4.06Å; F76-F98 HydrophobicContact CE2-CD1 4.19Å; F76-F98 HydrophobicContact CG-CD1 4.05Å; F76-F98 AromaticContact CG-CE1 3.73Å; F76-F98 HydrophobicContact CG-CE1 3.73Å; V93-F98 HydrophobicContact CG1-CD2 4.08Å; V93-F98 HydrophobicContact CG1-CE1 4.15Å; V93-F98 HydrophobicContact CG1-CE2 3.46Å; V93-F98 VanDerWaalsContact CG1-CE2 3.46Å; V93-F98 HydrophobicContact CG1-CZ 3.49Å; V93-F98 VanDerWaalsContact CG1-CZ 3.49Å; S94-F98 PolarHBondContact O-N 2.81Å; F98-F102 WeakPolarHBondContact O-CB 3.42Å; F98-F102 PolarHBondContact O-N 3.44Å; F98-F108 HydrophobicContact CB-CE1 4.05Å; F98-F108 HydrophobicContact CB-CE2 4.32Å; F98-F108 HydrophobicContact CB-CZ 3.65Å; F98-F108 HydrophobicContact CD1-CE2 4.12Å; F98-F108 HydrophobicContact CD1-CZ 4.32Å; F98-F108 HydrophobicContact CG-CE2 4.19Å; F98-F108 AromaticContact CG-CZ 3.97Å; F98-F108 HydrophobicContact CG-CZ 3.97Å; F98-L110 HydrophobicContact CE1-CD1 4.11Å; F98-L110 HydrophobicContact CE2-CD2 4.15Å; F98-L110 HydrophobicContact CZ-CD1 3.8Å; F98-L110 HydrophobicContact CZ-CD2 4.1Å; F98-L121 HydrophobicContact CD2-CD1 3.7Å; F98-L121 HydrophobicContact CE2-CD1 4.04Å; F98-L121 HydrophobicContact CE2-CD2 4.36Å
99L87.7Confident90.1Very high20 Ų2037.8 Ų37.811%0.10521%0.209CC..Hα-helixtrans-65.5-48178.7-69.5176.6000112.4S94 E95 S101 F102 Q103 L125 S128 E129S94-L99 WeakPolarHBondContact O-CB 3.27Å; S94-L99 WeakPolarHBondContact O-CG 3.29Å; S94-L99 PolarHBondContact O-N 2.82Å; E95-L99 HydrophobicContact CG-CD1 4.49Å; L99-S101 PolarHBondContact O-N 3.38Å; L99-F102 PolarHBondContact O-N 3.07Å; L99-Q103 WeakPolarHBondContact O-CB 3.41Å; L99-Q103 VanDerWaalsContact O-CG 3.24Å; L99-Q103 WeakPolarHBondContact O-CG 3.49Å; L99-Q103 PolarHBondContact O-N 3.06Å; L99-L125 HydrophobicContact CD2-CD2 3.6Å; L99-L125 HydrophobicContact CG-CD2 4.26Å; L99-S128 VanDerWaalsContact CD2-OG 3.25Å; L99-S128 WeakPolarHBondContact CD2-OG 3.22Å; L99-E129 HydrophobicContact CD2-CG 4.47Å
100P89Confident90.1Very high51 Ų5137.2 Ų37.233%0.33121%0.205SC..Hα-helixtrans-56.3-46.7173.7-29.336.3000114E95 F97 Q103 T104E95-P100 VanDerWaalsContact O-CD 3.26Å; E95-P100 WeakPolarHBondContact O-CD 3.35Å; E95-P100 WeakPolarHBondContact O-CG 3.15Å; F97-P100 WeakPolarHBondContact O-CD 3.16Å; P100-Q103 PolarHBondContact O-N 3.09Å; P100-T104 WeakPolarHBondContact O-CB 3.43Å; P100-T104 PolarHBondContact O-N 2.81Å; P100-T104 PolarHBondContact O-OG1 3.45Å
101S87.6Confident90.1Very high11 Ų1138.3 Ų38.38%0.07721%0.209CC..Hα-helixtrans-67-39.6178.5-63.40000111.3F76 F97 L99 Q103 T104 Y105F76-S101 WeakPolarHBondContact CZ-OG 3.31Å; F97-S101 WeakPolarHBondContact O-CB 3.48Å; F97-S101 PolarHBondContact O-N 3.25Å; F97-S101 PolarHBondContact O-OG 2.81Å; L99-S101 PolarHBondContact O-N 3.38Å; S101-Q103 VanDerWaalsContact C-N 3.34Å; S101-Q103 PolarHBondContact O-N 3.41Å; S101-T104 PolarHBondContact O-N 3.16Å; S101-Y105 WeakPolarHBondContact O-CB 3.35Å; S101-Y105 VanDerWaalsContact O-CD2 3.28Å; S101-Y105 WeakPolarHBondContact O-CD2 3.44Å; S101-Y105 PolarHBondContact O-N 3.32Å
102F85.4Confident90.2Very high2 Ų236.4 Ų36.41%0.00920%0.199CC..Hα-helixtrans-62.7-39.1173.3-169.7-109.8000113.1F98 L99 T104 G106 F108 E129 V133 V291 L292 R293F98-F102 WeakPolarHBondContact O-CB 3.42Å; F98-F102 PolarHBondContact O-N 3.44Å; L99-F102 PolarHBondContact O-N 3.07Å; F102-T104 VanDerWaalsContact C-N 3.3Å; F102-T104 PolarHBondContact O-N 3.16Å; F102-G106 WeakPolarHBondContact CE2-O 3.44Å; F102-G106 WeakPolarHBondContact O-CA 3.28Å; F102-G106 PolarHBondContact O-N 3.42Å; F102-F108 HydrophobicContact CB-CD1 4.09Å; F102-F108 HydrophobicContact CB-CE1 3.96Å; F102-F108 HydrophobicContact CD2-CD1 4.12Å; F102-F108 HydrophobicContact CD2-CE1 4.07Å; F102-F108 HydrophobicContact CG-CE1 4.4Å; F102-E129 HydrophobicContact CD1-CG 4.38Å; F102-E129 HydrophobicContact CE1-CG 4.15Å; F102-V133 HydrophobicContact CE1-CG2 3.91Å; F102-V133 HydrophobicContact CZ-CG1 4.24Å; F102-V133 HydrophobicContact CZ-CG2 3.87Å; F102-V291 HydrophobicContact CD2-CG1 4.4Å; F102-V291 HydrophobicContact CE2-CG1 4.3Å; F102-L292 VanDerWaalsContact CE2-C 3.5Å; F102-R293 HydrophobicContact CE1-CB 4.19Å; F102-R293 HydrophobicContact CE2-CB 4.12Å; F102-R293 HydrophobicContact CZ-CB 3.49Å; F102-R293 VanDerWaalsContact CZ-CB 3.49Å; F102-R293 HydrophobicContact CZ-CG 4.21Å
103Q84.4Confident90.2Very high125 Ų12534.5 Ų34.558%0.58418%0.184SC*.Hα-helixtrans-66.7-34.9176.9-75.31720.500112.1L99 P100 S101L99-Q103 WeakPolarHBondContact O-CB 3.41Å; L99-Q103 VanDerWaalsContact O-CG 3.24Å; L99-Q103 WeakPolarHBondContact O-CG 3.49Å; L99-Q103 PolarHBondContact O-N 3.06Å; P100-Q103 PolarHBondContact O-N 3.09Å; S101-Q103 VanDerWaalsContact C-N 3.34Å; S101-Q103 PolarHBondContact O-N 3.41Å
104T87.3Confident90.3Very high106 Ų10634.4 Ų34.465%0.6518%0.184SC*.Hα-helixtrans-81.3-44.5-177.8-60.60000112.1P100 S101 F102P100-T104 WeakPolarHBondContact O-CB 3.43Å; P100-T104 PolarHBondContact O-N 2.81Å; P100-T104 PolarHBondContact O-OG1 3.45Å; S101-T104 PolarHBondContact O-N 3.16Å; F102-T104 VanDerWaalsContact C-N 3.3Å; F102-T104 PolarHBondContact O-N 3.16Å
105Y87.3Confident90.5Very high91 Ų9136.7 Ų36.736%0.35720%0.198SC..Hα-helixtrans-104-18.2-172.1-62.7-83000113.7H64 D72 P74 S101 E107H64-Y105 AromaticContact CE1-CZ 3.78Å; H64-Y105 PolarHBondContact CE1-OH 3.13Å; D72-Y105 PolarHBondContact OD2-OH 2.96Å; P74-Y105 HydrophobicContact CB-CD2 4.11Å; P74-Y105 HydrophobicContact CB-CE2 4.33Å; P74-Y105 HydrophobicContact CG-CD1 4.26Å; P74-Y105 HydrophobicContact CG-CD2 3.66Å; P74-Y105 HydrophobicContact CG-CE2 4.3Å; P74-Y105 HydrophobicContact CG-CG 3.66Å; S101-Y105 WeakPolarHBondContact O-CB 3.35Å; S101-Y105 VanDerWaalsContact O-CD2 3.28Å; S101-Y105 WeakPolarHBondContact O-CD2 3.44Å; S101-Y105 PolarHBondContact O-N 3.32Å; Y105-E107 WeakPolarHBondContact CB-O 3.35Å; Y105-E107 PolarHBondContact O-N 3.23Å
106G88.3Confident90.6Very high23 Ų2335.6 Ų35.624%0.23719%0.193CC..SBendtrans76.1-8.7-174.600000114.5F102 R293F102-G106 WeakPolarHBondContact CE2-O 3.44Å; F102-G106 WeakPolarHBondContact O-CA 3.28Å; F102-G106 PolarHBondContact O-N 3.42Å; G106-R293 PolarHBondContact O-N 3.48Å
107E90.7Very high90.7Very high41 Ų4133.7 Ų33.719%0.19218%0.176CC..EExtended strand (participates in β ladder)trans-161.1160.7178.756.6177.8159.300111.6Y73 P74 Y105 R290 V291 L292Y73-E107 VanDerWaalsContact CE2-CD 3.46Å; Y73-E107 HydrophobicContact CE2-CG 3.81Å; Y73-E107 WeakPolarHBondContact CE2-OE1 3.24Å; Y73-E107 VanDerWaalsContact OH-CG 3.27Å; Y73-E107 WeakPolarHBondContact OH-CG 3.01Å; Y73-E107 PolarHBondContact OH-OE2 3.3Å; P74-E107 VanDerWaalsContact CG-O 3.31Å; P74-E107 WeakPolarHBondContact CG-O 3.34Å; Y105-E107 WeakPolarHBondContact CB-O 3.35Å; Y105-E107 PolarHBondContact O-N 3.23Å; E107-R290 IonicContact OE1-NH2 3.5Å; E107-R290 IonicContact OE2-CZ 2.72Å; E107-R290 VanDerWaalsContact OE2-CZ 3.3Å; E107-R290 IonicContact OE2-NE 3.91Å; E107-R290 PolarHBondContact OE2-NE 2.95Å; E107-R290 IonicContact OE2-NH2 3.72Å; E107-R290 PolarHBondContact OE2-NH2 3.34Å; E107-V291 CarbonylContact C-O 3.55Å; E107-V291 WeakPolarHBondContact CA-O 3.37Å; E107-V291 VanDerWaalsContact CB-O 3.26Å; E107-V291 WeakPolarHBondContact CB-O 3.1Å; E107-L292 HydrophobicContact CB-CB 3.83Å
108F93.3Very high90.8Very high0 Ų033.9 Ų33.90%018%0.179CC..EExtended strand (participates in β ladder)trans-157.5161.4170.262.2-91.9000111.3P74 F76 F98 F102 L110 V291P74-F108 HydrophobicContact CB-CB 4.16Å; P74-F108 HydrophobicContact CG-CB 3.8Å; P74-F108 WeakPolarHBondContact O-CA 3.47Å; P74-F108 WeakPolarHBondContact O-CB 3.44Å; F76-F108 HydrophobicContact CD2-CB 4.28Å; F76-F108 AromaticContact CD2-CD2 3.75Å; F76-F108 HydrophobicContact CD2-CD2 3.75Å; F76-F108 HydrophobicContact CD2-CE2 4.39Å; F76-F108 HydrophobicContact CD2-CG 4.18Å; F76-F108 HydrophobicContact CE2-CB 4.15Å; F76-F108 HydrophobicContact CE2-CD2 4.18Å; F76-F108 HydrophobicContact CE2-CG 4.17Å; F98-F108 HydrophobicContact CB-CE1 4.05Å; F98-F108 HydrophobicContact CB-CE2 4.32Å; F98-F108 HydrophobicContact CB-CZ 3.65Å; F98-F108 HydrophobicContact CD1-CE2 4.12Å; F98-F108 HydrophobicContact CD1-CZ 4.32Å; F98-F108 HydrophobicContact CG-CE2 4.19Å; F98-F108 AromaticContact CG-CZ 3.97Å; F98-F108 HydrophobicContact CG-CZ 3.97Å; F102-F108 HydrophobicContact CB-CD1 4.09Å; F102-F108 HydrophobicContact CB-CE1 3.96Å; F102-F108 HydrophobicContact CD2-CD1 4.12Å; F102-F108 HydrophobicContact CD2-CE1 4.07Å; F102-F108 HydrophobicContact CG-CE1 4.4Å; F108-L110 HydrophobicContact CD2-CB 4.31Å; F108-L110 HydrophobicContact CE2-CB 4.04Å; F108-V291 HydrophobicContact CD1-CB 4.12Å; F108-V291 HydrophobicContact CD1-CG1 4.43Å; F108-V291 HydrophobicContact CD2-CB 4.17Å; F108-V291 HydrophobicContact CD2-CG2 4.11Å; F108-V291 HydrophobicContact CE1-CB 3.72Å; F108-V291 HydrophobicContact CE1-CG1 3.68Å; F108-V291 HydrophobicContact CE1-CG2 4.26Å; F108-V291 HydrophobicContact CE2-CB 3.79Å; F108-V291 HydrophobicContact CE2-CG1 4.41Å; F108-V291 HydrophobicContact CE2-CG2 3.47Å; F108-V291 VanDerWaalsContact CE2-CG2 3.47Å; F108-V291 HydrophobicContact CG-CB 4.32Å; F108-V291 HydrophobicContact CZ-CB 3.55Å; F108-V291 HydrophobicContact CZ-CG1 3.67Å; F108-V291 HydrophobicContact CZ-CG2 3.56Å; F108-V291 PolarHBondContact N-O 2.98Å; F108-V291 PolarHBondContact O-N 3.41Å
109L94Very high90.9Very high1 Ų137.6 Ų37.61%0.00520%0.203CC..EExtended strand (participates in β ladder)trans-96.1139.3170.4-69.9164000109.8Y67 Y73 P74 S75 F76 Y111 L289 R290Y67-L109 HydrophobicContact CD1-CD1 3.77Å; Y67-L109 HydrophobicContact CD2-CD1 3.64Å; Y67-L109 HydrophobicContact CE1-CD1 3.82Å; Y67-L109 HydrophobicContact CE1-CD2 4.12Å; Y67-L109 HydrophobicContact CE1-CG 4.29Å; Y67-L109 HydrophobicContact CE2-CD1 3.73Å; Y67-L109 HydrophobicContact CG-CD1 3.66Å; Y73-L109 HydrophobicContact CD1-CD1 4.09Å; Y73-L109 HydrophobicContact CD1-CG 4.24Å; Y73-L109 HydrophobicContact CE1-CB 4.36Å; Y73-L109 HydrophobicContact CE1-CD1 3.94Å; Y73-L109 HydrophobicContact CE1-CG 3.66Å; P74-L109 PolarHBondContact O-N 2.93Å; S75-L109 CarbonylContact C-O 3.45Å; S75-L109 WeakPolarHBondContact CA-O 3.24Å; F76-L109 PolarHBondContact N-O 2.94Å; L109-Y111 HydrophobicContact CB-CE2 3.79Å; L109-Y111 HydrophobicContact CD1-CE2 4.4Å; L109-Y111 WeakPolarHBondContact CD1-OH 3.41Å; L109-L289 WeakPolarHBondContact CA-O 3.26Å; L109-R290 HydrophobicContact CD2-CB 3.96Å; L109-R290 HydrophobicContact CD2-CG 4.13Å
110L94.6Very high91Very high0 Ų038.6 Ų38.60%021%0.21CC..EExtended strand (participates in β ladder)trans-127.8114.2173.7176.861.7000109.8F76 A78 F98 F108 L113 L121 L289F76-L110 HydrophobicContact CB-CD1 3.8Å; F76-L110 CarbonylContact O-C 3.58Å; F76-L110 WeakPolarHBondContact O-CA 3.47Å; A78-L110 HydrophobicContact CB-CD1 4.02Å; F98-L110 HydrophobicContact CE1-CD1 4.11Å; F98-L110 HydrophobicContact CE2-CD2 4.15Å; F98-L110 HydrophobicContact CZ-CD1 3.8Å; F98-L110 HydrophobicContact CZ-CD2 4.1Å; F108-L110 HydrophobicContact CD2-CB 4.31Å; F108-L110 HydrophobicContact CE2-CB 4.04Å; L110-L113 HydrophobicContact CD2-CB 4.23Å; L110-L113 HydrophobicContact CD2-CD2 3.88Å; L110-L113 HydrophobicContact CG-CB 4.3Å; L110-L121 HydrophobicContact CD2-CD2 3.36Å; L110-L289 HydrophobicContact CB-CB 4.28Å; L110-L289 HydrophobicContact CD2-CD1 4.22Å; L110-L289 PolarHBondContact N-O 2.97Å; L110-L289 PolarHBondContact O-N 2.78Å
111Y94.1Very high91.1Very high34 Ų3436.2 Ų36.213%0.13320%0.195CC..EExtended strand (participates in β ladder)trans-102.8155.4179.8-57.8-70.6000111.2F76 Y77 A78 L109 L113 W288F76-Y111 PolarHBondContact O-N 2.86Å; Y77-Y111 VanDerWaalsContact CD1-CB 3.5Å; Y77-Y111 AromaticContact CD1-CD2 3.94Å; Y77-Y111 HydrophobicContact CD1-CD2 3.94Å; Y77-Y111 HydrophobicContact CD1-CG 4.05Å; Y77-Y111 HydrophobicContact CD2-CD2 4.31Å; Y77-Y111 AromaticContact CE1-CD2 3.52Å; Y77-Y111 HydrophobicContact CE1-CD2 3.52Å; Y77-Y111 HydrophobicContact CE1-CE2 4.3Å; Y77-Y111 AromaticContact CE1-CG 3.78Å; Y77-Y111 HydrophobicContact CE1-CG 3.78Å; Y77-Y111 AromaticContact CE2-CD2 3.93Å; Y77-Y111 HydrophobicContact CE2-CD2 3.93Å; Y77-Y111 HydrophobicContact CE2-CE2 4.41Å; Y77-Y111 HydrophobicContact CG-CD2 4.3Å; Y77-Y111 AromaticContact CZ-CD2 3.5Å; Y77-Y111 AromaticContact CZ-CE2 3.93Å; A78-Y111 PolarHBondContact N-O 2.72Å; L109-Y111 HydrophobicContact CB-CE2 3.79Å; L109-Y111 HydrophobicContact CD1-CE2 4.4Å; L109-Y111 WeakPolarHBondContact CD1-OH 3.41Å; Y111-L113 PolarHBondContact O-N 2.88Å; Y111-L113 VanDerWaalsContact O-N 3.12Å; Y111-W288 HydrophobicContact CD1-CB 4.05Å; Y111-W288 HydrophobicContact CD1-CD2 4.1Å; Y111-W288 AromaticContact CD1-CG 3.8Å; Y111-W288 HydrophobicContact CD1-CG 3.8Å; Y111-W288 HydrophobicContact CE1-CB 4.44Å; Y111-W288 HydrophobicContact CE1-CD2 4.49Å; Y111-W288 HydrophobicContact CE1-CG 4.42Å
112H92.5Very high91.2Very high1 Ų137.9 Ų37.91%0.00520%0.203CC..EExtended strand (participates in β ladder)trans66.78.7168.5-146.9-32.5000116.1A25 A78 F79 M222 I286A25-H112 VanDerWaalsContact CB-NE2 3.25Å; A25-H112 WeakPolarHBondContact CB-NE2 3.21Å; A78-H112 CarbonylContact O-C 3.6Å; A78-H112 WeakPolarHBondContact O-CB 3.1Å; F79-H112 AromaticContact CD1-CD2 3.87Å; F79-H112 AromaticContact CE1-CD2 3.81Å; H112-M222 HydrophobicContact CB-CE 4Å; H112-M222 HydrophobicContact CB-SD 4.19Å; H112-M222 WeakPolarHBondContact CD2-CE 3.28Å; H112-M222 PolarHBondContact CD2-SD 3.26Å; H112-I286 HydrophobicContact CB-CD1 4.39Å; H112-I286 WeakPolarHBondContact ND1-CG2 3.31Å
113L92.7Very high91.4Very high7 Ų739.9 Ų39.94%0.03722%0.217CC..EExtended strand (participates in β ladder)trans-68.7129.4173.5-17370.5000110A78 L110 Y111 V115 D117 V118 L121 I286 D287 L289A78-L113 HydrophobicContact CB-CB 4.32Å; A78-L113 HydrophobicContact CB-CD1 4.13Å; L110-L113 HydrophobicContact CD2-CB 4.23Å; L110-L113 HydrophobicContact CD2-CD2 3.88Å; L110-L113 HydrophobicContact CG-CB 4.3Å; Y111-L113 PolarHBondContact O-N 2.88Å; Y111-L113 VanDerWaalsContact O-N 3.12Å; L113-V115 PolarHBondContact O-N 3.27Å; L113-D117 HydrophobicContact CD1-CB 4.1Å; L113-D117 HydrophobicContact CG-CB 4.31Å; L113-V118 HydrophobicContact CD2-CG2 3.97Å; L113-V118 HydrophobicContact CG-CG2 4.48Å; L113-L121 HydrophobicContact CD2-CB 4.41Å; L113-L121 HydrophobicContact CD2-CD2 3.79Å; L113-I286 CarbonylContact O-C 3.51Å; L113-I286 VanDerWaalsContact O-CA 3.3Å; L113-I286 WeakPolarHBondContact O-CA 3.06Å; L113-D287 PolarHBondContact O-N 3.39Å; L113-L289 HydrophobicContact CD2-CD1 4.05Å
114P94Very high91.5Very high2 Ų235 Ų351%0.01320%0.195CC..EExtended strand (participates in β ladder)trans-57136.6172-26.836.9000111.8P80 E116 D117 V118 C285P80-P114 HydrophobicContact CB-CG 4.19Å; P80-P114 HydrophobicContact CG-CG 3.69Å; P114-E116 HydrophobicContact CB-CG 3.9Å; P114-E116 PolarHBondContact O-N 3.43Å; P114-E116 VanDerWaalsContact O-N 3.12Å; P114-D117 PolarHBondContact O-N 2.54Å; P114-V118 PolarHBondContact O-N 2.91Å; P114-C285 WeakPolarHBondContact CA-O 3.26Å
115V94.9Very high91.4Very high50 Ų5030 Ų3030%0.30316%0.164SC..THydrogen-bonded Turntrans-55.6-33.8-179.1172.80000112L113 D117 V118 I140 C285 D287L113-V115 PolarHBondContact O-N 3.27Å; V115-D117 VanDerWaalsContact C-N 3.25Å; V115-D117 PolarHBondContact O-N 3.43Å; V115-V118 WeakPolarHBondContact O-CB 3.17Å; V115-V118 WeakPolarHBondContact O-CG2 3.21Å; V115-V118 PolarHBondContact O-N 3.09Å; V115-I140 HydrophobicContact CG2-CG1 4.36Å; V115-I140 HydrophobicContact CG2-CG2 3.79Å; V115-C285 HydrophobicContact CB-CB 4.38Å; V115-C285 HydrophobicContact CG2-CB 3.82Å; V115-C285 PolarHBondContact N-O 2.99Å; V115-D287 HydrophobicContact CG2-CB 4.24Å
116E92.9Very high91.3Very high115 Ų11531.7 Ų31.754%0.53717%0.17SC..THydrogen-bonded Turntrans-65.6-23.4178.260.9-170.7-131.200114.4P114P114-E116 HydrophobicContact CB-CG 3.9Å; P114-E116 PolarHBondContact O-N 3.43Å; P114-E116 VanDerWaalsContact O-N 3.12Å
117D92.3Very high91.1Very high5 Ų536.8 Ų36.83%0.02719%0.188CC..THydrogen-bonded Turntrans-93.9-16.2-178.7-66.8-50000112.6I85 I90 L113 P114 V115 T120 L121I85-D117 HydrophobicContact CD1-CB 4.49Å; I85-D117 WeakPolarHBondContact CD1-OD2 3.44Å; I85-D117 VanDerWaalsContact CG1-OD2 3.31Å; I85-D117 WeakPolarHBondContact CG1-OD2 3.46Å; I90-D117 HydrophobicContact CD1-CB 3.93Å; L113-D117 HydrophobicContact CD1-CB 4.1Å; L113-D117 HydrophobicContact CG-CB 4.31Å; P114-D117 PolarHBondContact O-N 2.54Å; V115-D117 VanDerWaalsContact C-N 3.25Å; V115-D117 PolarHBondContact O-N 3.43Å; D117-T120 WeakPolarHBondContact O-CB 3.43Å; D117-T120 PolarHBondContact O-N 2.83Å; D117-T120 VanDerWaalsContact O-N 3.13Å; D117-L121 PolarHBondContact O-N 2.94Å; D117-L121 VanDerWaalsContact O-N 3.15Å
118V93Very high90.5Very high22 Ų2237.6 Ų37.613%0.13320%0.198CC..Hα-helixtrans-52.7-46.2177.9176.20000112.7L113 P114 V115 T120 L121 N122 M135 D287 L289L113-V118 HydrophobicContact CD2-CG2 3.97Å; L113-V118 HydrophobicContact CG-CG2 4.48Å; P114-V118 PolarHBondContact O-N 2.91Å; V115-V118 WeakPolarHBondContact O-CB 3.17Å; V115-V118 WeakPolarHBondContact O-CG2 3.21Å; V115-V118 PolarHBondContact O-N 3.09Å; V118-T120 VanDerWaalsContact C-N 3.31Å; V118-T120 PolarHBondContact O-N 3.3Å; V118-L121 PolarHBondContact O-N 3.4Å; V118-N122 WeakPolarHBondContact O-CB 3.49Å; V118-N122 PolarHBondContact O-N 2.97Å; V118-M135 HydrophobicContact CB-CE 4.25Å; V118-M135 HydrophobicContact CG1-CE 3.18Å; V118-D287 HydrophobicContact CG2-CB 4.03Å; V118-L289 HydrophobicContact CG1-CD1 4.41Å; V118-L289 HydrophobicContact CG1-CD2 4.38Å; V118-L289 HydrophobicContact CG2-CD1 4.18Å
119P92Very high89.4Confident82 Ų8238.7 Ų38.753%0.53220%0.203SC..Hα-helixtrans-63.8-35.3179.5-22.835.4000113.2S123P119-S123 WeakPolarHBondContact O-CB 3.33Å; P119-S123 PolarHBondContact O-N 3.48Å
120T91Very high87.6Confident42 Ų4246.1 Ų46.126%0.25825%0.248SC..Hα-helixtrans-66.5-48178.5-56.20000110R87 I90 D117 V118 N122 S123 L124R87-T120 HydrophobicContact CB-CG2 4.27Å; R87-T120 HydrophobicContact CG-CG2 3.84Å; I90-T120 HydrophobicContact CB-CG2 4.39Å; I90-T120 HydrophobicContact CD1-CG2 3.81Å; I90-T120 HydrophobicContact CG2-CG2 4.4Å; D117-T120 WeakPolarHBondContact O-CB 3.43Å; D117-T120 PolarHBondContact O-N 2.83Å; D117-T120 VanDerWaalsContact O-N 3.13Å; V118-T120 VanDerWaalsContact C-N 3.31Å; V118-T120 PolarHBondContact O-N 3.3Å; T120-N122 PolarHBondContact O-N 2.6Å; T120-S123 PolarHBondContact O-N 3.33Å; T120-L124 HydrophobicContact CG2-CD1 4.18Å; T120-L124 WeakPolarHBondContact O-CD1 3.36Å; T120-L124 WeakPolarHBondContact O-CG 3.12Å; T120-L124 PolarHBondContact O-N 3.48Å; T120-L124 VanDerWaalsContact O-N 3.13Å
121L90.9Very high86.1Confident1 Ų147.3 Ų47.31%0.00526%0.259CS..Hα-helixtrans-58-48.6175176.561000111.8I90 F98 L110 L113 D117 V118 S123 L124 L125 M135I90-L121 HydrophobicContact CG2-CB 4.23Å; I90-L121 HydrophobicContact CG2-CD1 4.4Å; F98-L121 HydrophobicContact CD2-CD1 3.7Å; F98-L121 HydrophobicContact CE2-CD1 4.04Å; F98-L121 HydrophobicContact CE2-CD2 4.36Å; L110-L121 HydrophobicContact CD2-CD2 3.36Å; L113-L121 HydrophobicContact CD2-CB 4.41Å; L113-L121 HydrophobicContact CD2-CD2 3.79Å; D117-L121 PolarHBondContact O-N 2.94Å; D117-L121 VanDerWaalsContact O-N 3.15Å; V118-L121 PolarHBondContact O-N 3.4Å; L121-S123 VanDerWaalsContact C-N 3.3Å; L121-S123 PolarHBondContact O-N 3.31Å; L121-L124 PolarHBondContact O-N 2.87Å; L121-L125 HydrophobicContact CD1-CD1 4Å; L121-L125 HydrophobicContact CD1-CD2 4.42Å; L121-L125 HydrophobicContact CD1-CG 3.98Å; L121-L125 HydrophobicContact CG-CD1 4.02Å; L121-L125 HydrophobicContact CG-CG 4.4Å; L121-L125 WeakPolarHBondContact O-CG 3.35Å; L121-L125 PolarHBondContact O-N 3.26Å; L121-M135 HydrophobicContact CD2-SD 4.11Å; L121-M135 HydrophobicContact CG-SD 4.12Å
122N89.7Confident85.4Confident45 Ų4551.3 Ų51.324%0.24128%0.282CS..Hα-helixtrans-59-40.8179.1-175.326.6000111.9V118 T120 L124 R126 M135V118-N122 WeakPolarHBondContact O-CB 3.49Å; V118-N122 PolarHBondContact O-N 2.97Å; T120-N122 PolarHBondContact O-N 2.6Å; N122-L124 VanDerWaalsContact C-N 3.3Å; N122-L124 PolarHBondContact O-N 3.49Å; N122-R126 WeakPolarHBondContact O-CB 3.47Å; N122-R126 VanDerWaalsContact O-CG 3.29Å; N122-R126 WeakPolarHBondContact O-CG 3.3Å; N122-R126 PolarHBondContact O-N 3.2Å; N122-R126 PolarHBondContact OD1-NE 2.81Å; N122-M135 HydrophobicContact CB-CE 3.93Å; N122-M135 HydrophobicContact CB-SD 4.01Å
123S88.4Confident85.1Confident45 Ų4551.3 Ų51.332%0.31528%0.282SS..Hα-helixtrans-62.5-37.3175.9-1780000112.3P119 T120 L121 Q127P119-S123 WeakPolarHBondContact O-CB 3.33Å; P119-S123 PolarHBondContact O-N 3.48Å; T120-S123 PolarHBondContact O-N 3.33Å; L121-S123 VanDerWaalsContact C-N 3.3Å; L121-S123 PolarHBondContact O-N 3.31Å; S123-Q127 VanDerWaalsContact O-CG 3.26Å; S123-Q127 WeakPolarHBondContact O-CG 3.01Å; S123-Q127 PolarHBondContact O-N 2.72Å; S123-Q127 PolarHBondContact OG-NE2 2.9Å
124L87Confident84.9Confident21 Ų2151.7 Ų51.711%0.1129%0.286CS..Hα-helixtrans-71.6-49.4-178.2-68.2160.9000111.3I90 D91 T120 L121 N122 R126 Q127 S128I90-L124 HydrophobicContact CB-CD1 4.16Å; I90-L124 HydrophobicContact CG2-CD1 3.59Å; D91-L124 HydrophobicContact CB-CD2 4.47Å; D91-L124 WeakPolarHBondContact OD1-CD1 3.49Å; D91-L124 WeakPolarHBondContact OD1-CD2 3Å; D91-L124 WeakPolarHBondContact OD1-CG 3.15Å; T120-L124 HydrophobicContact CG2-CD1 4.18Å; T120-L124 WeakPolarHBondContact O-CD1 3.36Å; T120-L124 WeakPolarHBondContact O-CG 3.12Å; T120-L124 PolarHBondContact O-N 3.48Å; T120-L124 VanDerWaalsContact O-N 3.13Å; L121-L124 PolarHBondContact O-N 2.87Å; N122-L124 VanDerWaalsContact C-N 3.3Å; N122-L124 PolarHBondContact O-N 3.49Å; L124-R126 PolarHBondContact O-N 3.38Å; L124-Q127 PolarHBondContact O-N 3.4Å; L124-S128 PolarHBondContact O-N 3.46Å; L124-S128 VanDerWaalsContact O-N 3.07Å; L124-S128 PolarHBondContact O-OG 3.15Å; L124-S128 VanDerWaalsContact O-OG 3.11Å
125L86.1Confident84.8Confident1 Ų153.2 Ų53.21%0.00529%0.293CS..Hα-helixtrans-59-35.7179.1-65176.9000111.9L99 L121 S128 E129 V133 M135 V291L99-L125 HydrophobicContact CD2-CD2 3.6Å; L99-L125 HydrophobicContact CG-CD2 4.26Å; L121-L125 HydrophobicContact CD1-CD1 4Å; L121-L125 HydrophobicContact CD1-CD2 4.42Å; L121-L125 HydrophobicContact CD1-CG 3.98Å; L121-L125 HydrophobicContact CG-CD1 4.02Å; L121-L125 HydrophobicContact CG-CG 4.4Å; L121-L125 WeakPolarHBondContact O-CG 3.35Å; L121-L125 PolarHBondContact O-N 3.26Å; L125-S128 WeakPolarHBondContact CA-OG 3.48Å; L125-S128 PolarHBondContact O-OG 2.87Å; L125-S128 VanDerWaalsContact O-OG 3.05Å; L125-E129 WeakPolarHBondContact O-CB 3.31Å; L125-E129 WeakPolarHBondContact O-CG 3.34Å; L125-E129 PolarHBondContact O-N 2.83Å; L125-V133 HydrophobicContact CB-CG1 4.31Å; L125-V133 HydrophobicContact CD1-CG1 4.45Å; L125-M135 HydrophobicContact CD1-SD 4.18Å; L125-V291 HydrophobicContact CD1-CG1 3.7Å
126R85Confident84.6Confident127 Ų12754.8 Ų54.848%0.47930%0.297SS..Hα-helixtrans-72.5-26175.8-72.5177.5-174.1-87.4-8.3114.3N122 L124 V133N122-R126 WeakPolarHBondContact O-CB 3.47Å; N122-R126 VanDerWaalsContact O-CG 3.29Å; N122-R126 WeakPolarHBondContact O-CG 3.3Å; N122-R126 PolarHBondContact O-N 3.2Å; N122-R126 PolarHBondContact OD1-NE 2.81Å; L124-R126 PolarHBondContact O-N 3.38Å; R126-V133 PolarHBondContact NH2-O 3.22Å
127Q84Confident84.6Confident131 Ų13152.4 Ų52.461%0.61229%0.293SS*.Hα-helixtrans-81.4-34178.1-76.2170.79.900111.7S123 L124S123-Q127 VanDerWaalsContact O-CG 3.26Å; S123-Q127 WeakPolarHBondContact O-CG 3.01Å; S123-Q127 PolarHBondContact O-N 2.72Å; S123-Q127 PolarHBondContact OG-NE2 2.9Å; L124-Q127 PolarHBondContact O-N 3.4Å
128S78.2Confident84.4Confident58 Ų5856.1 Ų56.141%0.40631%0.31SS..Hα-helixtrans-79.6-21-179.752.40000113.9L99 L124 L125L99-S128 VanDerWaalsContact CD2-OG 3.25Å; L99-S128 WeakPolarHBondContact CD2-OG 3.22Å; L124-S128 PolarHBondContact O-N 3.46Å; L124-S128 VanDerWaalsContact O-N 3.07Å; L124-S128 PolarHBondContact O-OG 3.15Å; L124-S128 VanDerWaalsContact O-OG 3.11Å; L125-S128 WeakPolarHBondContact CA-OG 3.48Å; L125-S128 PolarHBondContact O-OG 2.87Å; L125-S128 VanDerWaalsContact O-OG 3.05Å
129E69.5Low84.3Confident23 Ų2355.7 Ų55.711%0.10731%0.308CS..  trans-114.4131.7-171.7-69.8-74.2147.400112.4L99 F102 L125 A131 V133 R293L99-E129 HydrophobicContact CD2-CG 4.47Å; F102-E129 HydrophobicContact CD1-CG 4.38Å; F102-E129 HydrophobicContact CE1-CG 4.15Å; L125-E129 WeakPolarHBondContact O-CB 3.31Å; L125-E129 WeakPolarHBondContact O-CG 3.34Å; L125-E129 PolarHBondContact O-N 2.83Å; E129-A131 PolarHBondContact O-N 2.79Å; E129-V133 HydrophobicContact CB-CG2 3.91Å; E129-V133 HydrophobicContact CG-CG2 4.01Å; E129-R293 IonicContact OE1-NH2 3.97Å; E129-R293 IonicContact OE2-CZ 3.67Å; E129-R293 IonicContact OE2-NE 3.85Å; E129-R293 IonicContact OE2-NH2 2.71Å; E129-R293 PolarHBondContact OE2-NH2 3.42Å
130T57.6Low84.5Confident156 Ų15654.7 Ų54.796%0.95730%0.298SS*.SBendtrans-77.4-10.7170.653.80000112.8
131A61.6Low84.7Confident26 Ų2652.8 Ų52.822%0.21529%0.286CS..SBendtrans-97.3146.3176.600000111.1E129 V133 R293E129-A131 PolarHBondContact O-N 2.79Å; A131-V133 PolarHBondContact O-N 2.88Å; A131-R293 HydrophobicContact CB-CG 3.98Å
132N80.4Confident84.9Confident118 Ų11855 Ų5563%0.63130%0.298SS*.  trans-62.3105.8174.6-79.7-22.4000109.9N294N132-N294 HydrophobicContact CB-CB 4.07Å; N132-N294 VanDerWaalsContact O-CB 3.26Å; N132-N294 WeakPolarHBondContact O-CB 3.32Å; N132-N294 PolarHBondContact O-N 2.96Å; N132-N294 PolarHBondContact O-ND2 3.48Å
133V86.5Confident85.2Confident1 Ų152.9 Ų52.91%0.00629%0.286CS..EExtended strand (participates in β ladder)trans-81.4134.5168.3-178.20000109.1F102 L125 R126 E129 A131 V291F102-V133 HydrophobicContact CE1-CG2 3.91Å; F102-V133 HydrophobicContact CZ-CG1 4.24Å; F102-V133 HydrophobicContact CZ-CG2 3.87Å; L125-V133 HydrophobicContact CB-CG1 4.31Å; L125-V133 HydrophobicContact CD1-CG1 4.45Å; R126-V133 PolarHBondContact NH2-O 3.22Å; E129-V133 HydrophobicContact CB-CG2 3.91Å; E129-V133 HydrophobicContact CG-CG2 4.01Å; A131-V133 PolarHBondContact O-N 2.88Å; V133-V291 HydrophobicContact CG1-CG1 3.99Å
134S87.8Confident85.7Confident15 Ų1551.8 Ų51.811%0.10528%0.276CS..EExtended strand (participates in β ladder)trans-107.5143.7163.445.10000109.9L292 N294S134-L292 PolarHBondContact N-O 2.81Å; S134-L292 PolarHBondContact O-N 3.15Å; S134-L292 VanDerWaalsContact OG-CD2 3.22Å; S134-L292 WeakPolarHBondContact OG-CD2 3.26Å; S134-L292 VanDerWaalsContact OG-CG 3.28Å; S134-L292 WeakPolarHBondContact OG-CG 3.17Å; S134-L292 PolarHBondContact OG-O 2.71Å; S134-N294 PolarHBondContact N-ND2 2.95Å; S134-N294 PolarHBondContact OG-OD1 3.45Å
135M91.1Very high86.2Confident34 Ų3452.3 Ų52.317%0.16728%0.277CS..EExtended strand (participates in β ladder)trans-118.8108.8168.8-117.6168.658.700105.5V118 L121 N122 L125 L289 V291V118-M135 HydrophobicContact CB-CE 4.25Å; V118-M135 HydrophobicContact CG1-CE 3.18Å; L121-M135 HydrophobicContact CD2-SD 4.11Å; L121-M135 HydrophobicContact CG-SD 4.12Å; N122-M135 HydrophobicContact CB-CE 3.93Å; N122-M135 HydrophobicContact CB-SD 4.01Å; L125-M135 HydrophobicContact CD1-SD 4.18Å; M135-L289 HydrophobicContact CE-CD1 3.75Å; M135-L289 HydrophobicContact CE-CD2 4.12Å; M135-L289 HydrophobicContact SD-CD1 4.43Å; M135-V291 HydrophobicContact CG-CB 4.41Å; M135-V291 HydrophobicContact CG-CG1 4.32Å; M135-V291 HydrophobicContact CG-CG2 3.71Å; M135-V291 HydrophobicContact SD-CG2 4.41Å
136E92.2Very high86.7Confident83 Ų8352.4 Ų52.439%0.38828%0.277SS..EExtended strand (participates in β ladder)trans-98.8123.8-179.6-68.4173.5-17400108E138 L289 R290 L292E136-E138 PolarHBondContact O-N 2.92Å; E136-L289 WeakPolarHBondContact O-CA 3.44Å; E136-R290 HydrophobicContact CB-CB 4.42Å; E136-R290 PolarHBondContact N-O 2.95Å; E136-R290 PolarHBondContact O-N 2.95Å; E136-L292 HydrophobicContact CB-CD2 4.4Å; E136-L292 HydrophobicContact CG-CD2 3.87Å
137S92.4Very high87.3Confident64 Ų6447 Ų4745%0.44826%0.259SS..EExtended strand (participates in β ladder)trans-78115.6170.8176.60000108.5D287S137-D287 WeakPolarHBondContact CB-OD1 3.27Å; S137-D287 PolarHBondContact OG-OD1 3.17Å; S137-D287 PolarHBondContact OG-OD2 3.32Å
138E88.4Confident87.8Confident84 Ų8443.5 Ų43.539%0.39325%0.247SC..EExtended strand (participates in β ladder)trans-76.9-41.4170.7-62.8-73.3174.300109.6Y67 E136 W288 R290Y67-E138 PolarHBondContact OH-OE1 2.94Å; E136-E138 PolarHBondContact O-N 2.92Å; E138-W288 WeakPolarHBondContact CA-O 3.49Å; E138-W288 HydrophobicContact CB-CB 4.24Å; E138-W288 VanDerWaalsContact CB-O 3.3Å; E138-W288 WeakPolarHBondContact CB-O 3.28Å; E138-W288 PolarHBondContact N-O 3.01Å; E138-R290 HydrophobicContact CG-CB 4.27Å
139S90.9Very high88.7Confident12 Ų1246.6 Ų46.68%0.08426%0.255CS..EExtended strand (participates in β ladder)trans-165.6128.8175.5-126.70000113.3V263 W288S139-V263 VanDerWaalsContact OG-CG2 3.31Å; S139-V263 WeakPolarHBondContact OG-CG2 3.49Å; S139-W288 PolarHBondContact N-O 2.94Å; S139-W288 PolarHBondContact O-N 3.05Å
140I94.8Very high89.9Confident62 Ų6248 Ų4832%0.31826%0.26SS..EExtended strand (participates in β ladder)trans-88.4130.3163-62.1172.4000108.3V115 P264 C285 I286 D287V115-I140 HydrophobicContact CG2-CG1 4.36Å; V115-I140 HydrophobicContact CG2-CG2 3.79Å; I140-P264 WeakPolarHBondContact O-CD 3.18Å; I140-C285 HydrophobicContact CG2-CB 4.38Å; I140-I286 WeakPolarHBondContact CA-O 3.34Å; I140-D287 HydrophobicContact CG1-CB 4.46Å
141T95.4Very high91.6Very high2 Ų242.8 Ų42.81%0.01223%0.226CC..EExtended strand (participates in β ladder)trans-130.7139.8-178.258.60000112.3C261 V262 V263 C285 I286T141-C261 HydrophobicContact CG2-CB 4.13Å; T141-V262 WeakPolarHBondContact CA-O 3.41Å; T141-V263 HydrophobicContact CG2-CG2 3.71Å; T141-C285 VanDerWaalsContact O-CA 3.26Å; T141-C285 WeakPolarHBondContact O-CA 3.11Å; T141-I286 PolarHBondContact N-O 3.24Å; T141-I286 PolarHBondContact O-N 3.11Å; T141-I286 WeakPolarHBondContact OG1-CG1 3.44Å
142D96.5Very high93.1Very high47 Ų4747.9 Ų47.925%0.25125%0.245SC..EExtended strand (participates in β ladder)trans-84.3137168.3-65.8-33.8000109.4F144 V262 C285D142-F144 HydrophobicContact CB-CD2 4.46Å; D142-F144 HydrophobicContact CB-CE2 3.68Å; D142-F144 HydrophobicContact CB-CZ 4.33Å; D142-V262 PolarHBondContact N-O 3.16Å; D142-V262 PolarHBondContact O-N 2.91Å; D142-C285 PolarHBondContact OD1-SG 3.27Å
143L96.4Very high93.7Very high1 Ų146.4 Ų46.41%0.00524%0.236CC..EExtended strand (participates in β ladder)trans-96.2136.3177.2-68.489.5000112.4Y259 M282 M284 I286L143-Y259 HydrophobicContact CD2-CD2 4.27Å; L143-Y259 HydrophobicContact CD2-CE2 4.13Å; L143-M282 HydrophobicContact CB-CB 4.03Å; L143-M282 HydrophobicContact CB-CE 4.11Å; L143-M282 HydrophobicContact CB-CG 4.16Å; L143-M282 HydrophobicContact CB-SD 3.61Å; L143-M282 HydrophobicContact CD2-CE 4.01Å; L143-M282 HydrophobicContact CD2-SD 4.21Å; L143-M282 WeakPolarHBondContact O-CB 3.45Å; L143-M282 PolarHBondContact O-N 3.25Å; L143-M284 HydrophobicContact CD1-CB 4.43Å; L143-M284 HydrophobicContact CD1-CE 3.88Å; L143-M284 HydrophobicContact CD1-CG 4.39Å; L143-M284 VanDerWaalsContact CD1-O 3.32Å; L143-M284 WeakPolarHBondContact CD1-O 3.41Å; L143-M284 HydrophobicContact CD2-CE 3.64Å; L143-M284 HydrophobicContact CG-CE 4.29Å; L143-M284 PolarHBondContact N-O 3.07Å; L143-M284 VanDerWaalsContact N-O 3.12Å; L143-I286 HydrophobicContact CD1-CB 4.12Å; L143-I286 HydrophobicContact CD1-CD1 3.96Å; L143-I286 HydrophobicContact CD1-CG1 3.7Å; L143-I286 HydrophobicContact CD1-CG2 3.61Å; L143-I286 HydrophobicContact CD2-CD1 4.39Å; L143-I286 HydrophobicContact CG-CD1 4.41Å
144F97.7Very high94Very high22 Ų2246.4 Ų46.410%0.09624%0.236CC..EExtended strand (participates in β ladder)trans-127.9148.3173.5-63.3-96.5000110.1D142 Y259 K260 V262 T273 W279 K280D142-F144 HydrophobicContact CB-CD2 4.46Å; D142-F144 HydrophobicContact CB-CE2 3.68Å; D142-F144 HydrophobicContact CB-CZ 4.33Å; F144-Y259 CarbonylContact O-C 3.54Å; F144-Y259 WeakPolarHBondContact O-CA 3.44Å; F144-Y259 VanDerWaalsContact O-CB 3.29Å; F144-Y259 WeakPolarHBondContact O-CB 3.43Å; F144-K260 HydrophobicContact CB-CG 4.17Å; F144-K260 PolarHBondContact N-O 3.36Å; F144-K260 PolarHBondContact O-N 3.07Å; F144-V262 HydrophobicContact CD2-CB 4.27Å; F144-V262 HydrophobicContact CD2-CG2 3.84Å; F144-V262 HydrophobicContact CE2-CB 4.06Å; F144-V262 HydrophobicContact CE2-CG2 4.05Å; F144-T273 HydrophobicContact CB-CG2 4.02Å; F144-T273 HydrophobicContact CD1-CG2 3.49Å; F144-T273 VanDerWaalsContact CD1-CG2 3.49Å; F144-T273 HydrophobicContact CD2-CG2 3.7Å; F144-T273 HydrophobicContact CE1-CG2 3.8Å; F144-T273 HydrophobicContact CE2-CG2 3.99Å; F144-T273 HydrophobicContact CG-CG2 3.44Å; F144-T273 VanDerWaalsContact CG-CG2 3.44Å; F144-T273 HydrophobicContact CZ-CG2 4.04Å; F144-W279 HydrophobicContact CB-CB 4.33Å; F144-W279 HydrophobicContact CB-CE3 4.07Å; F144-W279 HydrophobicContact CD1-CB 4.48Å; F144-K280 CarbonylContact C-O 3.57Å; F144-K280 VanDerWaalsContact CA-O 3.22Å; F144-K280 WeakPolarHBondContact CA-O 3.28Å
145W97.9Very high93.9Very high32 Ų3249.5 Ų49.512%0.12125%0.254CS..EExtended strand (participates in β ladder)trans-139.7159.4177.977.4-47.2000111.7L20 P21 P148 I257 P258 K280 M282L20-W145 HydrophobicContact CB-CH2 4.39Å; L20-W145 HydrophobicContact CB-CZ3 4.21Å; P21-W145 HydrophobicContact CB-CD2 3.44Å; P21-W145 VanDerWaalsContact CB-CD2 3.44Å; P21-W145 VanDerWaalsContact CB-CE2 3.41Å; P21-W145 HydrophobicContact CB-CE3 3.71Å; P21-W145 HydrophobicContact CB-CG 3.91Å; P21-W145 HydrophobicContact CB-CH2 3.97Å; P21-W145 HydrophobicContact CB-CZ2 3.7Å; P21-W145 HydrophobicContact CB-CZ3 3.97Å; P21-W145 HydrophobicContact CG-CD2 4.43Å; P21-W145 HydrophobicContact CG-CZ2 4.08Å; W145-P148 HydrophobicContact CZ3-CG 4.47Å; W145-I257 HydrophobicContact CE3-CG2 3.76Å; W145-I257 HydrophobicContact CZ3-CG2 4.27Å; W145-P258 CarbonylContact C-O 3.53Å; W145-P258 WeakPolarHBondContact CA-O 3.48Å; W145-K280 PolarHBondContact N-O 3.04Å; W145-K280 PolarHBondContact O-N 3.03Å; W145-M282 HydrophobicContact CB-CG 4.13Å; W145-M282 HydrophobicContact CB-SD 3.92Å; W145-M282 HydrophobicContact CG-CG 3.96Å; W145-M282 HydrophobicContact CG-SD 4.26Å
146I97.1Very high93.7Very high2 Ų254.3 Ų54.31%0.0128%0.276CS..  trans-100.6112.4166.9-62.2-179.3000106.9Y150 L154 A248 I257 P258 L278 W279I146-Y150 HydrophobicContact CG2-CD2 4.23Å; I146-L154 HydrophobicContact CD1-CD1 4.04Å; I146-L154 HydrophobicContact CG2-CD1 3.54Å; I146-A248 HydrophobicContact CD1-CB 3.88Å; I146-I257 WeakPolarHBondContact O-CG2 3.46Å; I146-P258 HydrophobicContact CB-CB 4.07Å; I146-P258 HydrophobicContact CB-CG 4.25Å; I146-P258 HydrophobicContact CD1-CB 3.97Å; I146-P258 HydrophobicContact CD1-CG 4.36Å; I146-P258 HydrophobicContact CG1-CB 4.16Å; I146-P258 PolarHBondContact N-O 3.09Å; I146-L278 HydrophobicContact CD1-CB 4.21Å; I146-L278 HydrophobicContact CG1-CB 4.3Å; I146-W279 HydrophobicContact CD1-CD2 4.32Å; I146-W279 HydrophobicContact CD1-CE3 4.32Å; I146-W279 HydrophobicContact CD1-CH2 3.96Å; I146-W279 HydrophobicContact CD1-CZ2 3.97Å; I146-W279 HydrophobicContact CD1-CZ3 4.13Å; I146-W279 HydrophobicContact CG1-CD2 3.95Å; I146-W279 HydrophobicContact CG1-CE3 3.62Å; I146-W279 HydrophobicContact CG1-CH2 4Å; I146-W279 HydrophobicContact CG1-CZ2 4.32Å; I146-W279 HydrophobicContact CG1-CZ3 3.63Å
147S96.1Very high93.6Very high15 Ų1553.5 Ų53.511%0.10527%0.274CS..  trans-59139.6177.2173.30000111E149 Y150S147-E149 WeakPolarHBondContact CB-OE1 3.47Å; S147-E149 PolarHBondContact O-N 3.04Å; S147-E149 VanDerWaalsContact OG-CD 3.3Å; S147-E149 WeakPolarHBondContact OG-CG 3.29Å; S147-E149 PolarHBondContact OG-OE1 3.39Å; S147-Y150 PolarHBondContact O-N 2.96Å
148P96Very high93.2Very high56 Ų5657.7 Ų57.736%0.36429%0.292SS..G310 helixtrans-53.2-20.7177.1-29.135.6000115.1W145 Y150 N151 I257W145-P148 HydrophobicContact CZ3-CG 4.47Å; P148-Y150 PolarHBondContact O-N 3.45Å; P148-N151 VanDerWaalsContact O-CB 3.28Å; P148-N151 WeakPolarHBondContact O-CB 3.34Å; P148-N151 PolarHBondContact O-N 2.81Å; P148-N151 VanDerWaalsContact O-N 3.09Å; P148-I257 HydrophobicContact CG-CD1 4.11Å; P148-I257 HydrophobicContact CG-CG1 4.38Å
149E95.6Very high93Very high123 Ų12355.6 Ų55.658%0.57528%0.283SS*.G310 helixtrans-60.9-22.9174.277.5-159.4132.400113.4S147 K280S147-E149 WeakPolarHBondContact CB-OE1 3.47Å; S147-E149 PolarHBondContact O-N 3.04Å; S147-E149 VanDerWaalsContact OG-CD 3.3Å; S147-E149 WeakPolarHBondContact OG-CG 3.29Å; S147-E149 PolarHBondContact OG-OE1 3.39Å; E149-K280 IonicContact OE1-NZ 3.96Å; E149-K280 PolarHBondContact OE1-NZ 3.02Å; E149-K280 IonicContact OE2-NZ 3.11Å
150Y94.8Very high92.7Very high53 Ų5359.5 Ų59.521%0.20832%0.316CS..G310 helixtrans-89.1-2.1177.3-64.9-68.3000113.5I146 S147 P148 E152 M153 L154 K280I146-Y150 HydrophobicContact CG2-CD2 4.23Å; S147-Y150 PolarHBondContact O-N 2.96Å; P148-Y150 PolarHBondContact O-N 3.45Å; Y150-E152 PolarHBondContact O-N 2.9Å; Y150-M153 HydrophobicContact CD1-CE 3.43Å; Y150-M153 VanDerWaalsContact CD1-CE 3.43Å; Y150-M153 HydrophobicContact CD1-SD 4.25Å; Y150-M153 HydrophobicContact CE1-CE 4.23Å; Y150-M153 HydrophobicContact CG-CE 4.14Å; Y150-M153 PolarHBondContact O-N 2.88Å; Y150-L154 WeakPolarHBondContact O-CB 3.17Å; Y150-L154 WeakPolarHBondContact O-CG 3.49Å; Y150-L154 PolarHBondContact O-N 3.17Å; Y150-K280 HydrophobicContact CE2-CD 4.26Å; Y150-K280 VanDerWaalsContact OH-CE 3.29Å; Y150-K280 WeakPolarHBondContact OH-CE 3.26Å
151N94.2Very high92.1Very high47 Ų4759.9 Ų59.925%0.25132%0.318SS..Hα-helixtrans-59-47.9-173.3-75.4-2.3000112.1P148 L154 T155 I252P148-N151 VanDerWaalsContact O-CB 3.28Å; P148-N151 WeakPolarHBondContact O-CB 3.34Å; P148-N151 PolarHBondContact O-N 2.81Å; P148-N151 VanDerWaalsContact O-N 3.09Å; N151-L154 PolarHBondContact O-N 2.77Å; N151-T155 VanDerWaalsContact O-CG2 3.3Å; N151-T155 WeakPolarHBondContact O-CG2 3.32Å; N151-T155 PolarHBondContact O-N 3.05Å; N151-T155 PolarHBondContact O-OG1 3.17Å; N151-T155 VanDerWaalsContact O-OG1 3.1Å; N151-I252 HydrophobicContact CB-CG2 4.41Å; N151-I252 WeakPolarHBondContact OD1-CD1 3.38Å
152E93Very high91.2Very high132 Ų13261.6 Ų61.662%0.61733%0.33SS*.Hα-helixtrans-60.6-52.2179.9-175.8174-172.700110.9Y150 L154 T155 Q156Y150-E152 PolarHBondContact O-N 2.9Å; E152-L154 VanDerWaalsContact C-N 3.31Å; E152-L154 PolarHBondContact O-N 3.09Å; E152-T155 PolarHBondContact O-N 2.74Å; E152-T155 PolarHBondContact O-OG1 2.88Å; E152-Q156 VanDerWaalsContact CG-NE2 3.34Å; E152-Q156 WeakPolarHBondContact O-CG 3.27Å; E152-Q156 PolarHBondContact O-N 3.24Å; E152-Q156 PolarHBondContact OE1-NE2 2.77Å
153M92.9Very high90.2Very high88 Ų8864.8 Ų64.843%0.43335%0.347SS..Hα-helixtrans-55.5-45.7176.9-178.7-169.473.300112Y150 Q156 L157 L278Y150-M153 HydrophobicContact CD1-CE 3.43Å; Y150-M153 VanDerWaalsContact CD1-CE 3.43Å; Y150-M153 HydrophobicContact CD1-SD 4.25Å; Y150-M153 HydrophobicContact CE1-CE 4.23Å; Y150-M153 HydrophobicContact CG-CE 4.14Å; Y150-M153 PolarHBondContact O-N 2.88Å; M153-Q156 PolarHBondContact O-N 3.36Å; M153-L157 WeakPolarHBondContact O-CB 3.41Å; M153-L157 PolarHBondContact O-N 3.07Å; M153-L278 HydrophobicContact CE-CD2 3.22Å
154L92.6Very high89.7Confident0 Ų071.6 Ų71.60%038%0.383CS..Hα-helixtrans-63.5-48.1178.8-82.8173000111.3I146 Y150 N151 E152 Q156 L157 V245 K249 I252 L278I146-L154 HydrophobicContact CD1-CD1 4.04Å; I146-L154 HydrophobicContact CG2-CD1 3.54Å; Y150-L154 WeakPolarHBondContact O-CB 3.17Å; Y150-L154 WeakPolarHBondContact O-CG 3.49Å; Y150-L154 PolarHBondContact O-N 3.17Å; N151-L154 PolarHBondContact O-N 2.77Å; E152-L154 VanDerWaalsContact C-N 3.31Å; E152-L154 PolarHBondContact O-N 3.09Å; L154-Q156 PolarHBondContact O-N 3.38Å; L154-L157 WeakPolarHBondContact O-CB 3.25Å; L154-L157 PolarHBondContact O-N 3.45Å; L154-L157 VanDerWaalsContact O-N 3.12Å; L154-V245 HydrophobicContact CD2-CG1 3.99Å; L154-K249 WeakPolarHBondContact O-CE 3.32Å; L154-I252 HydrophobicContact CB-CD1 4.29Å; L154-I252 HydrophobicContact CD1-CD1 3.83Å; L154-L278 HydrophobicContact CD2-CD1 3.84Å; L154-L278 HydrophobicContact CD2-CD2 4.11Å; L154-L278 HydrophobicContact CG-CD2 4.45Å
155T85.1Confident89.5Confident80 Ų8071.2 Ų71.249%0.49138%0.381SS..Hα-helixtrans-60.6-33.3-17955.10000112.7N151 E152 I252N151-T155 VanDerWaalsContact O-CG2 3.3Å; N151-T155 WeakPolarHBondContact O-CG2 3.32Å; N151-T155 PolarHBondContact O-N 3.05Å; N151-T155 PolarHBondContact O-OG1 3.17Å; N151-T155 VanDerWaalsContact O-OG1 3.1Å; E152-T155 PolarHBondContact O-N 2.74Å; E152-T155 PolarHBondContact O-OG1 2.88Å; T155-I252 HydrophobicContact CG2-CG2 4.43Å
156Q88.6Confident89.3Confident135 Ų13573.3 Ų73.363%0.63140%0.397SS*.Hα-helixtrans-85.4-13.4178.5-65.61746.200114.1E152 M153 L154 D158E152-Q156 VanDerWaalsContact CG-NE2 3.34Å; E152-Q156 WeakPolarHBondContact O-CG 3.27Å; E152-Q156 PolarHBondContact O-N 3.24Å; E152-Q156 PolarHBondContact OE1-NE2 2.77Å; M153-Q156 PolarHBondContact O-N 3.36Å; L154-Q156 PolarHBondContact O-N 3.38Å; Q156-D158 PolarHBondContact O-N 3.01Å
157L89Confident89.2Confident67 Ų6776.1 Ų76.135%0.35141%0.412SS..  trans-66109.4-175.9-175.562000110.9M153 L154 L159 V245 K249M153-L157 WeakPolarHBondContact O-CB 3.41Å; M153-L157 PolarHBondContact O-N 3.07Å; L154-L157 WeakPolarHBondContact O-CB 3.25Å; L154-L157 PolarHBondContact O-N 3.45Å; L154-L157 VanDerWaalsContact O-N 3.12Å; L157-L159 HydrophobicContact CD2-CD2 3.93Å; L157-L159 HydrophobicContact CG-CD2 3.99Å; L157-V245 HydrophobicContact CD2-CG1 3.84Å; L157-V245 HydrophobicContact CD2-CG2 4.37Å; L157-K249 PolarHBondContact O-NZ 2.86Å
158D84.7Confident89.3Confident152 Ų15277.3 Ų77.381%0.81342%0.42SS*.  trans-80.9126.2173.1-163.610.1000110.3Q156Q156-D158 PolarHBondContact O-N 3.01Å
159L84.2Confident89.3Confident39 Ų3979.4 Ų79.420%0.20443%0.425CS..  trans-106.6103.5-173-66.8173.5000109.5L157 L161 L242 V245 V246L157-L159 HydrophobicContact CD2-CD2 3.93Å; L157-L159 HydrophobicContact CG-CD2 3.99Å; L159-L161 PolarHBondContact O-N 2.86Å; L159-L242 HydrophobicContact CB-CD1 4.04Å; L159-L242 HydrophobicContact CB-CG 4.31Å; L159-L242 HydrophobicContact CD1-CG 4.09Å; L159-V245 HydrophobicContact CD1-CB 3.85Å; L159-V245 HydrophobicContact CD1-CG1 3.57Å; L159-V245 HydrophobicContact CD2-CB 4.41Å; L159-V245 HydrophobicContact CD2-CG1 4.11Å; L159-V245 HydrophobicContact CG-CG1 4.21Å; L159-V246 HydrophobicContact CD1-CG2 3.58Å
160A83.7Confident89.5Confident94 Ų9473.8 Ų73.878%0.77740%0.399SS*.PPolyproline II helixtrans-63.3118.7169.900000110.1P162A160-P162 WeakPolarHBondContact O-CD 3.43Å
161L81.8Confident89.6Confident71 Ų7175.4 Ų75.437%0.37241%0.409SS..PPolyproline II helixtrans-79.3121.3175.9-71.4165.4000109.9L159 L167 L205 L242L159-L161 PolarHBondContact O-N 2.86Å; L161-L167 HydrophobicContact CD1-CD1 4.22Å; L161-L167 HydrophobicContact CD1-CG 4.27Å; L161-L167 HydrophobicContact CD2-CD1 4.01Å; L161-L167 HydrophobicContact CD2-CG 3.79Å; L161-L205 HydrophobicContact CD2-CD2 3.68Å; L161-L242 HydrophobicContact CD2-CD1 3.54Å; L161-L242 HydrophobicContact CD2-CD2 3.49Å; L161-L242 VanDerWaalsContact CD2-CD2 3.49Å; L161-L242 HydrophobicContact CD2-CG 4.17Å; L161-L242 HydrophobicContact CG-CD1 4.32Å
162P77.7Confident89.8Confident38 Ų3875.4 Ų75.425%0.24741%0.411CS..SBendtrans-72.3155.6174.427.6-29.4000111.3A160 N164 F165A160-P162 WeakPolarHBondContact O-CD 3.43Å; P162-N164 PolarHBondContact O-N 3.49Å; P162-F165 HydrophobicContact CG-CD2 3.89Å; P162-F165 HydrophobicContact CG-CE2 4.12Å; P162-F165 WeakPolarHBondContact O-CB 3.4Å; P162-F165 VanDerWaalsContact O-CD2 3.28Å; P162-F165 WeakPolarHBondContact O-CD2 3.1Å; P162-F165 VanDerWaalsContact O-CG 3.22Å; P162-F165 WeakPolarHBondContact O-CG 3.45Å; P162-F165 PolarHBondContact O-N 3.07Å
163N74.7Confident90Very high114 Ų11475.6 Ų75.661%0.6141%0.412SS*.THydrogen-bonded Turntrans53.541.2158.5-61.2-26.9000116.9F165 Q237N163-F165 HydrophobicContact CB-CD1 4.48Å; N163-F165 HydrophobicContact CB-CE1 4.17Å; N163-F165 HydrophobicContact CB-CE2 4.42Å; N163-F165 HydrophobicContact CB-CZ 4.13Å; N163-F165 PolarHBondContact O-N 3.01Å; N163-F165 VanDerWaalsContact O-N 3.11Å; N163-Q237 PolarHBondContact ND2-OE1 3.41Å
164N86.2Confident90.2Very high143 Ų14372.3 Ų72.377%0.76540%0.395SS*.THydrogen-bonded Turntrans53.928.4-178-61.2-21.8000113.1P162 G208P162-N164 PolarHBondContact O-N 3.49Å; N164-G208 PolarHBondContact O-N 2.9Å
165F92.9Very high90.5Very high14 Ų1472.3 Ų72.36%0.06140%0.395CS..  trans-69.8148.5171.7-62.3-26000110.5P162 N163 L205 R206 T207 V213 F234 V239P162-F165 HydrophobicContact CG-CD2 3.89Å; P162-F165 HydrophobicContact CG-CE2 4.12Å; P162-F165 WeakPolarHBondContact O-CB 3.4Å; P162-F165 VanDerWaalsContact O-CD2 3.28Å; P162-F165 WeakPolarHBondContact O-CD2 3.1Å; P162-F165 VanDerWaalsContact O-CG 3.22Å; P162-F165 WeakPolarHBondContact O-CG 3.45Å; P162-F165 PolarHBondContact O-N 3.07Å; N163-F165 HydrophobicContact CB-CD1 4.48Å; N163-F165 HydrophobicContact CB-CE1 4.17Å; N163-F165 HydrophobicContact CB-CE2 4.42Å; N163-F165 HydrophobicContact CB-CZ 4.13Å; N163-F165 PolarHBondContact O-N 3.01Å; N163-F165 VanDerWaalsContact O-N 3.11Å; F165-L205 HydrophobicContact CB-CD2 4.03Å; F165-R206 CarbonylContact C-O 3.52Å; F165-R206 VanDerWaalsContact CA-O 3.23Å; F165-R206 WeakPolarHBondContact CA-O 3.49Å; F165-T207 HydrophobicContact CE1-CG2 4.48Å; F165-V213 HydrophobicContact CD1-CG2 4.17Å; F165-V213 HydrophobicContact CE1-CG1 4.44Å; F165-V213 HydrophobicContact CE1-CG2 4.05Å; F165-V213 HydrophobicContact CE2-CG1 4.19Å; F165-V213 HydrophobicContact CZ-CG1 4.11Å; F165-F234 HydrophobicContact CE1-CD1 4.34Å; F165-F234 HydrophobicContact CZ-CD1 4.07Å; F165-V239 HydrophobicContact CD2-CG2 4.34Å; F165-V239 HydrophobicContact CE2-CG2 3.74Å
166V94.7Very high91.1Very high76 Ų7673.5 Ų73.546%0.46140%0.395SS..EExtended strand (participates in β ladder)trans-117.5127.3179.5-177.70000108.1L205 R206V166-L205 WeakPolarHBondContact O-CA 3.45Å; V166-R206 PolarHBondContact N-O 2.89Å; V166-R206 PolarHBondContact O-N 3.49Å
167L95.6Very high91.6Very high61 Ų6171.1 Ų71.132%0.31938%0.383SS..EExtended strand (participates in β ladder)trans-72.6132.7168.6-84167.1000109.9L161 V203 L205 L242 V246L161-L167 HydrophobicContact CD1-CD1 4.22Å; L161-L167 HydrophobicContact CD1-CG 4.27Å; L161-L167 HydrophobicContact CD2-CD1 4.01Å; L161-L167 HydrophobicContact CD2-CG 3.79Å; L167-V203 HydrophobicContact CD2-CG2 3.71Å; L167-L205 HydrophobicContact CD2-CD2 3.75Å; L167-L205 HydrophobicContact CD2-CG 4.24Å; L167-L205 HydrophobicContact CG-CD2 3.91Å; L167-L242 HydrophobicContact CD1-CD2 4.11Å; L167-L242 HydrophobicContact CD2-CD2 3.59Å; L167-L242 HydrophobicContact CG-CD2 3.98Å; L167-V246 HydrophobicContact CD1-CG2 3.83Å; L167-V246 HydrophobicContact CD2-CB 4.38Å; L167-V246 HydrophobicContact CD2-CG1 4.29Å; L167-V246 HydrophobicContact CD2-CG2 3.95Å
168S96.6Very high92Very high40 Ų4068 Ų6828%0.2837%0.367SS..EExtended strand (participates in β ladder)trans-151.7-170.1-178.7-165.90000110.6C204S168-C204 PolarHBondContact N-O 2.77Å; S168-C204 PolarHBondContact O-N 3.33Å
169E97.9Very high92.6Very high100 Ų10061.5 Ų61.547%0.46733%0.332SS..  trans-118.1154.2174.6-64-174.2159.400109.4N202 C204 R206 K250E169-N202 WeakPolarHBondContact CA-OD1 3.3Å; E169-N202 WeakPolarHBondContact CB-OD1 3.14Å; E169-C204 PolarHBondContact O-SG 2.79Å; E169-R206 PolarHBondContact O-NH2 2.81Å; E169-R206 VanDerWaalsContact O-NH2 3.14Å; E169-K250 IonicContact OE1-NZ 2.61Å; E169-K250 PolarHBondContact OE1-NZ 3.31Å
170L98.5Very high93.2Very high6 Ų662.4 Ų62.43%0.03134%0.341CS..  trans-69.6148.2169-68.9170.9000109.6E174 V178 I197 N202 C204 L212 W215 M217L170-E174 WeakPolarHBondContact CA-OE2 3.48Å; L170-V178 HydrophobicContact CD1-CG2 4.15Å; L170-V178 HydrophobicContact CD2-CG2 3.98Å; L170-I197 HydrophobicContact CB-CD1 4.01Å; L170-I197 HydrophobicContact CB-CG1 3.93Å; L170-I197 HydrophobicContact CB-CG2 3.87Å; L170-I197 HydrophobicContact CD1-CD1 4.1Å; L170-I197 HydrophobicContact CD1-CG1 3.99Å; L170-I197 VanDerWaalsContact O-CG2 3.3Å; L170-I197 WeakPolarHBondContact O-CG2 3.31Å; L170-N202 HydrophobicContact CD1-CB 4.48Å; L170-N202 PolarHBondContact N-OD1 2.88Å; L170-C204 HydrophobicContact CD2-CB 3.96Å; L170-C204 HydrophobicContact CG-CB 4.16Å; L170-L212 HydrophobicContact CD2-CD1 4.23Å; L170-L212 HydrophobicContact CD2-CD2 3.94Å; L170-W215 HydrophobicContact CD1-CB 4.01Å; L170-W215 HydrophobicContact CD1-CG 4.33Å; L170-W215 HydrophobicContact CD2-CB 4.06Å; L170-W215 HydrophobicContact CD2-CG 4.42Å; L170-W215 HydrophobicContact CG-CB 4.26Å; L170-M217 HydrophobicContact CD1-CG 3.75Å; L170-M217 HydrophobicContact CD1-SD 3.7Å
171H97.8Very high93.8Very high86 Ų8661.1 Ų61.140%0.39832%0.318SS..  trans-104.1149.5171.8-61.1-55.5000110.7H173 E174H171-H173 WeakPolarHBondContact CB-CE1 3.13Å; H171-H173 WeakPolarHBondContact CB-ND1 2.98Å; H171-H173 AromaticContact CD2-CE1 3.96Å; H171-H173 AromaticContact CG-CE1 3.85Å; H171-H173 PolarHBondContact O-N 3.26Å; H171-E174 HydrophobicContact CB-CG 4.31Å; H171-E174 IonicContact CD2-OE2 3.94Å; H171-E174 PolarHBondContact N-OE2 2.84Å; H171-E174 WeakPolarHBondContact O-CB 2.94Å; H171-E174 PolarHBondContact O-N 3.46Å
172P97.7Very high94.3Very high47 Ų4759.7 Ų59.731%0.30531%0.308SS..G310 helixtrans-58-27.5-175.8-28.136.5000115E174 A175 R194 I197 E198P172-E174 PolarHBondContact O-N 2.81Å; P172-A175 WeakPolarHBondContact O-CB 3.34Å; P172-A175 PolarHBondContact O-N 2.9Å; P172-R194 HydrophobicContact CB-CG 3.97Å; P172-R194 PolarHBondContact O-NE 3.45Å; P172-I197 HydrophobicContact CG-CG2 4.35Å; P172-E198 HydrophobicContact CB-CG 3.97Å; P172-E198 HydrophobicContact CG-CG 3.53Å
173H97.4Very high94.8Very high137 Ų13763 Ų6363%0.63433%0.329SS*.G310 helixtrans-75.2-10.2176.168.4-97.8000113.5H171 A175H171-H173 WeakPolarHBondContact CB-CE1 3.13Å; H171-H173 WeakPolarHBondContact CB-ND1 2.98Å; H171-H173 AromaticContact CD2-CE1 3.96Å; H171-H173 AromaticContact CG-CE1 3.85Å; H171-H173 PolarHBondContact O-N 3.26Å; H173-A175 VanDerWaalsContact C-N 3.28Å
174E98.1Very high95.4Very high19 Ų1962.4 Ų62.49%0.08932%0.319CS..G310 helixtrans-87.4-0.4175.2-60.217712700111.7L170 H171 P172 E176 F177 V178 R206 L212L170-E174 WeakPolarHBondContact CA-OE2 3.48Å; H171-E174 HydrophobicContact CB-CG 4.31Å; H171-E174 IonicContact CD2-OE2 3.94Å; H171-E174 PolarHBondContact N-OE2 2.84Å; H171-E174 WeakPolarHBondContact O-CB 2.94Å; H171-E174 PolarHBondContact O-N 3.46Å; P172-E174 PolarHBondContact O-N 2.81Å; E174-E176 PolarHBondContact O-N 3.31Å; E174-F177 WeakPolarHBondContact O-CB 3.35Å; E174-F177 PolarHBondContact O-N 3.12Å; E174-F177 VanDerWaalsContact O-N 3.13Å; E174-V178 WeakPolarHBondContact O-CG2 3.37Å; E174-V178 PolarHBondContact O-N 2.84Å; E174-R206 IonicContact OE1-CZ 2.81Å; E174-R206 VanDerWaalsContact OE1-CZ 3.26Å; E174-R206 IonicContact OE1-NH1 3.26Å; E174-R206 PolarHBondContact OE1-NH1 2.99Å; E174-R206 IonicContact OE1-NH2 3.77Å; E174-R206 PolarHBondContact OE1-NH2 2.86Å; E174-R206 IonicContact OE2-CZ 2.82Å; E174-R206 IonicContact OE2-NH2 2.66Å; E174-R206 PolarHBondContact OE2-NH2 3.47Å; E174-L212 WeakPolarHBondContact OE1-CD1 3.4Å
175A98.1Very high95.6Very high0 Ų062.6 Ų62.60%031%0.309CS..Hα-helixtrans-59.1-45.1-178.200000112.8P172 H173 F177 V178 D179 V190 I193 R194 I197P172-A175 WeakPolarHBondContact O-CB 3.34Å; P172-A175 PolarHBondContact O-N 2.9Å; H173-A175 VanDerWaalsContact C-N 3.28Å; A175-F177 VanDerWaalsContact C-N 3.29Å; A175-F177 PolarHBondContact O-N 3.05Å; A175-V178 PolarHBondContact O-N 3.44Å; A175-D179 VanDerWaalsContact O-CB 3.3Å; A175-D179 WeakPolarHBondContact O-CB 3.27Å; A175-D179 PolarHBondContact O-N 3.06Å; A175-V190 HydrophobicContact CB-CG1 4.08Å; A175-I193 HydrophobicContact CB-CB 4.42Å; A175-I193 HydrophobicContact CB-CG2 3.88Å; A175-R194 HydrophobicContact CB-CB 3.77Å; A175-R194 HydrophobicContact CB-CG 4.43Å; A175-I197 HydrophobicContact CB-CD1 4.26Å
176E97.9Very high95.5Very high104 Ų10464.6 Ų64.649%0.48632%0.317SS..Hα-helixtrans-60.2-40.4175.2-73.188.3-179.600112E174 S180 V190 R194E174-E176 PolarHBondContact O-N 3.31Å; E176-S180 WeakPolarHBondContact O-CB 3.44Å; E176-S180 PolarHBondContact O-N 3.45Å; E176-V190 HydrophobicContact CG-CG1 3.97Å; E176-R194 IonicContact OE1-CZ 3.92Å; E176-R194 IonicContact OE1-NH2 3Å; E176-R194 PolarHBondContact OE1-NH2 2.64Å; E176-R194 IonicContact OE2-NH2 2.79Å; E176-R194 PolarHBondContact OE2-NH2 3.23Å
177F97.9Very high95.2Very high86 Ų8665.5 Ų65.538%0.37732%0.319SS..Hα-helixtrans-66-47.4179.7-179.4-96.4000110.9E174 A175 D179 S180 F181 L212 W215 L231E174-F177 WeakPolarHBondContact O-CB 3.35Å; E174-F177 PolarHBondContact O-N 3.12Å; E174-F177 VanDerWaalsContact O-N 3.13Å; A175-F177 VanDerWaalsContact C-N 3.29Å; A175-F177 PolarHBondContact O-N 3.05Å; F177-D179 VanDerWaalsContact C-N 3.35Å; F177-D179 PolarHBondContact O-N 3.18Å; F177-S180 WeakPolarHBondContact O-CB 3.35Å; F177-S180 PolarHBondContact O-N 3.16Å; F177-S180 PolarHBondContact O-OG 3.02Å; F177-F181 HydrophobicContact CD1-CE2 4.25Å; F177-F181 HydrophobicContact CD2-CE2 4.25Å; F177-F181 HydrophobicContact CE1-CD2 4.37Å; F177-F181 AromaticContact CE1-CE2 3.75Å; F177-F181 HydrophobicContact CE1-CE2 3.75Å; F177-F181 AromaticContact CE2-CE2 3.75Å; F177-F181 HydrophobicContact CE2-CE2 3.75Å; F177-F181 HydrophobicContact CE2-CZ 4.32Å; F177-F181 HydrophobicContact CG-CE2 4.49Å; F177-F181 HydrophobicContact CZ-CD2 4.5Å; F177-F181 AromaticContact CZ-CE2 3.48Å; F177-F181 HydrophobicContact CZ-CE2 3.48Å; F177-F181 VanDerWaalsContact CZ-CE2 3.48Å; F177-F181 HydrophobicContact CZ-CZ 4.07Å; F177-F181 VanDerWaalsContact O-CD2 3.27Å; F177-F181 WeakPolarHBondContact O-CD2 3.46Å; F177-L212 HydrophobicContact CD1-CD1 3.7Å; F177-L212 HydrophobicContact CE1-CB 4.36Å; F177-L212 HydrophobicContact CE1-CD1 3.81Å; F177-W215 HydrophobicContact CD1-CH2 4.34Å; F177-W215 AromaticContact CE1-CH2 3.84Å; F177-W215 HydrophobicContact CE1-CH2 3.84Å; F177-W215 AromaticContact CE1-CZ3 3.87Å; F177-W215 HydrophobicContact CE1-CZ3 3.87Å; F177-L231 HydrophobicContact CZ-CD2 4.38Å
178V97.9Very high94.8Very high1 Ų163.2 Ų63.21%0.00631%0.31CS..Hα-helixtrans-60-45.2176.7167.40000111.3L170 E174 A175 S180 F181 I193 W215 M217L170-V178 HydrophobicContact CD1-CG2 4.15Å; L170-V178 HydrophobicContact CD2-CG2 3.98Å; E174-V178 WeakPolarHBondContact O-CG2 3.37Å; E174-V178 PolarHBondContact O-N 2.84Å; A175-V178 PolarHBondContact O-N 3.44Å; V178-S180 VanDerWaalsContact C-N 3.27Å; V178-S180 PolarHBondContact O-N 3.21Å; V178-F181 PolarHBondContact O-N 3.45Å; V178-I193 HydrophobicContact CB-CG2 4.16Å; V178-I193 HydrophobicContact CG1-CD1 4.36Å; V178-I193 HydrophobicContact CG1-CG2 3.91Å; V178-W215 HydrophobicContact CG2-CD2 4.19Å; V178-W215 HydrophobicContact CG2-CG 4.34Å; V178-W215 HydrophobicContact CG2-CZ2 4.38Å; V178-M217 HydrophobicContact CG1-CE 3.99Å
179D97.2Very high94.6Very high15 Ų1561.4 Ų61.48%0.0830%0.298CS..Hα-helixtrans-61.2-35.2177.8-171.370.4000112.5A175 F177 F181 W182 S189 V190 I193A175-D179 VanDerWaalsContact O-CB 3.3Å; A175-D179 WeakPolarHBondContact O-CB 3.27Å; A175-D179 PolarHBondContact O-N 3.06Å; F177-D179 VanDerWaalsContact C-N 3.35Å; F177-D179 PolarHBondContact O-N 3.18Å; D179-F181 PolarHBondContact O-N 3.4Å; D179-W182 WeakPolarHBondContact O-CB 3.3Å; D179-W182 PolarHBondContact O-N 2.89Å; D179-S189 VanDerWaalsContact CG-OG 3.25Å; D179-S189 WeakPolarHBondContact OD1-CB 3.49Å; D179-S189 PolarHBondContact OD1-OG 3.01Å; D179-S189 PolarHBondContact OD2-OG 2.94Å; D179-V190 HydrophobicContact CB-CG2 3.83Å; D179-I193 HydrophobicContact CB-CD1 3.53Å; D179-I193 VanDerWaalsContact OD1-CD1 3.28Å; D179-I193 WeakPolarHBondContact OD1-CD1 3.31Å
180S97.1Very high94.5Very high58 Ų5858.3 Ų58.341%0.40629%0.285SS..Hα-helixtrans-59.4-22.7-179.380.20000113.9E176 F177 V178 R185E176-S180 WeakPolarHBondContact O-CB 3.44Å; E176-S180 PolarHBondContact O-N 3.45Å; F177-S180 WeakPolarHBondContact O-CB 3.35Å; F177-S180 PolarHBondContact O-N 3.16Å; F177-S180 PolarHBondContact O-OG 3.02Å; V178-S180 VanDerWaalsContact C-N 3.27Å; V178-S180 PolarHBondContact O-N 3.21Å; S180-R185 PolarHBondContact O-NH1 3.08Å
181F95.6Very high94.1Very high67 Ų6761.7 Ų61.729%0.29430%0.303SS..THydrogen-bonded Turntrans-97.8-3.8176.5-67.1-81.5000114F177 V178 D179 P183 W215 Y229 L231F177-F181 HydrophobicContact CD1-CE2 4.25Å; F177-F181 HydrophobicContact CD2-CE2 4.25Å; F177-F181 HydrophobicContact CE1-CD2 4.37Å; F177-F181 AromaticContact CE1-CE2 3.75Å; F177-F181 HydrophobicContact CE1-CE2 3.75Å; F177-F181 AromaticContact CE2-CE2 3.75Å; F177-F181 HydrophobicContact CE2-CE2 3.75Å; F177-F181 HydrophobicContact CE2-CZ 4.32Å; F177-F181 HydrophobicContact CG-CE2 4.49Å; F177-F181 HydrophobicContact CZ-CD2 4.5Å; F177-F181 AromaticContact CZ-CE2 3.48Å; F177-F181 HydrophobicContact CZ-CE2 3.48Å; F177-F181 VanDerWaalsContact CZ-CE2 3.48Å; F177-F181 HydrophobicContact CZ-CZ 4.07Å; F177-F181 VanDerWaalsContact O-CD2 3.27Å; F177-F181 WeakPolarHBondContact O-CD2 3.46Å; V178-F181 PolarHBondContact O-N 3.45Å; D179-F181 PolarHBondContact O-N 3.4Å; F181-P183 VanDerWaalsContact O-CD 3.27Å; F181-P183 WeakPolarHBondContact O-CD 3.48Å; F181-W215 HydrophobicContact CB-CZ2 4.16Å; F181-W215 AromaticContact CD2-CH2 3.68Å; F181-W215 HydrophobicContact CD2-CH2 3.68Å; F181-W215 AromaticContact CD2-CZ2 3.92Å; F181-W215 HydrophobicContact CD2-CZ2 3.92Å; F181-W215 HydrophobicContact CE2-CH2 4.13Å; F181-W215 HydrophobicContact CG-CH2 4.21Å; F181-W215 HydrophobicContact CG-CZ2 4.26Å; F181-Y229 HydrophobicContact CB-CD1 4.32Å; F181-Y229 HydrophobicContact CB-CD2 4.48Å; F181-Y229 HydrophobicContact CB-CE1 4.08Å; F181-Y229 HydrophobicContact CB-CE2 4.26Å; F181-Y229 AromaticContact CD1-CE1 3.59Å; F181-Y229 HydrophobicContact CD1-CE1 3.59Å; F181-Y229 HydrophobicContact CD1-CE2 4.49Å; F181-Y229 AromaticContact CD1-CZ 3.57Å; F181-Y229 WeakPolarHBondContact CD1-OH 3.37Å; F181-Y229 HydrophobicContact CE1-CE1 4.18Å; F181-Y229 HydrophobicContact CG-CD1 4.36Å; F181-Y229 AromaticContact CG-CE1 3.83Å; F181-Y229 HydrophobicContact CG-CE1 3.83Å; F181-L231 HydrophobicContact CE1-CD2 3.78Å; F181-L231 HydrophobicContact CE2-CD2 3.99Å; F181-L231 HydrophobicContact CZ-CD2 3.48Å; F181-L231 VanDerWaalsContact CZ-CD2 3.48Å
182W93Very high93.8Very high42 Ų4258.5 Ų58.516%0.15929%0.289CS..  trans-84.5113.9-179.5-167.536.4000110.5D179 Y184 R185 Y186 L192 I193 H227D179-W182 WeakPolarHBondContact O-CB 3.3Å; D179-W182 PolarHBondContact O-N 2.89Å; W182-Y184 AromaticContact NE1-CD2 3.55Å; W182-Y184 PolarHBondContact O-N 3.37Å; W182-R185 HydrophobicContact CB-CB 4.46Å; W182-R185 HydrophobicContact CE3-CB 4.16Å; W182-R185 WeakPolarHBondContact O-CG 3.43Å; W182-R185 PolarHBondContact O-N 3.29Å; W182-Y186 HydrophobicContact CH2-CD1 4.46Å; W182-Y186 HydrophobicContact CH2-CE1 4.01Å; W182-Y186 HydrophobicContact CZ3-CD1 4.18Å; W182-Y186 AromaticContact CZ3-CE1 3.9Å; W182-Y186 HydrophobicContact CZ3-CE1 3.9Å; W182-L192 HydrophobicContact CH2-CD2 4.39Å; W182-I193 HydrophobicContact CE3-CD1 4.36Å; W182-H227 AromaticContact CD1-CE1 3.68Å; W182-H227 AromaticContact CD1-ND1 3.89Å; W182-H227 AromaticContact CD2-CE1 3.12Å; W182-H227 AromaticContact CD2-NE2 3.72Å; W182-H227 AromaticContact CE2-CE1 3.39Å; W182-H227 AromaticContact CE2-NE2 3.51Å; W182-H227 AromaticContact CE3-CE1 3.43Å; W182-H227 VanDerWaalsContact CE3-CE1 3.43Å; W182-H227 AromaticContact CE3-NE2 3.98Å; W182-H227 AromaticContact CG-CE1 3.36Å; W182-H227 AromaticContact CG-ND1 3.77Å; W182-H227 AromaticContact CH2-NE2 3.92Å; W182-H227 AromaticContact CZ2-CE1 3.96Å; W182-H227 AromaticContact CZ2-NE2 3.65Å; W182-H227 AromaticContact CZ3-CE1 3.95Å; W182-H227 AromaticContact NE1-CE1 3.71Å; W182-H227 AromaticContact NE1-NE2 3.9Å
183P88.9Confident93.7Very high106 Ų10656.2 Ų56.269%0.68828%0.275SS*.THydrogen-bonded Turntrans-67.7-16.7-179.126.6-34.9000113.3F181F181-P183 VanDerWaalsContact O-CD 3.27Å; F181-P183 WeakPolarHBondContact O-CD 3.48Å
184Y86.9Confident93.6Very high102 Ų10252.3 Ų52.340%0.425%0.254SS..THydrogen-bonded Turntrans-104.519.4-178.7-47.7-75.2000112.8W182 V263W182-Y184 AromaticContact NE1-CD2 3.55Å; W182-Y184 PolarHBondContact O-N 3.37Å; Y184-V263 HydrophobicContact CE2-CG2 4.38Å
185R90.9Very high93.3Very high147 Ų14754.4 Ų54.456%0.55526%0.261SS*.  trans-61.2151.1177.868.9-176.5-174.7-159.70.9112.1S180 W182S180-R185 PolarHBondContact O-NH1 3.08Å; W182-R185 HydrophobicContact CB-CB 4.46Å; W182-R185 HydrophobicContact CE3-CB 4.16Å; W182-R185 WeakPolarHBondContact O-CG 3.43Å; W182-R185 PolarHBondContact O-N 3.29Å
186Y89.6Confident93.1Very high57 Ų5754.4 Ų54.422%0.22426%0.261CS..  trans-148.9168.7-177.362.8-91.1000109.9Y67 W182 G188 S189 L192Y67-Y186 AromaticContact CD2-CD2 3.76Å; Y67-Y186 HydrophobicContact CD2-CD2 3.76Å; Y67-Y186 AromaticContact CD2-CE2 3.66Å; Y67-Y186 HydrophobicContact CD2-CE2 3.66Å; Y67-Y186 HydrophobicContact CD2-CG 4.43Å; Y67-Y186 AromaticContact CE2-CD2 3.94Å; Y67-Y186 HydrophobicContact CE2-CD2 3.94Å; Y67-Y186 HydrophobicContact CE2-CE2 4.14Å; Y67-Y186 HydrophobicContact CE2-CG 4.16Å; W182-Y186 HydrophobicContact CH2-CD1 4.46Å; W182-Y186 HydrophobicContact CH2-CE1 4.01Å; W182-Y186 HydrophobicContact CZ3-CD1 4.18Å; W182-Y186 AromaticContact CZ3-CE1 3.9Å; W182-Y186 HydrophobicContact CZ3-CE1 3.9Å; Y186-G188 PolarHBondContact O-N 2.96Å; Y186-S189 PolarHBondContact N-OG 2.84Å; Y186-S189 WeakPolarHBondContact O-CB 3.26Å; Y186-S189 PolarHBondContact O-N 3Å; Y186-S189 PolarHBondContact O-OG 2.93Å; Y186-L192 WeakPolarHBondContact OH-CD2 3.32Å
187D88.8Confident93.1Very high95 Ų9550 Ų5051%0.50824%0.241SC..THydrogen-bonded Turntrans-67112176.6175.439.5000110.5N68 G69N68-D187 PolarHBondContact N-O 3.37Å; N68-D187 PolarHBondContact OD1-N 3.34Å; G69-D187 VanDerWaalsContact CA-OD2 3.25Å; G69-D187 WeakPolarHBondContact CA-OD2 3.41Å; G69-D187 PolarHBondContact N-OD2 2.83Å
188G87.8Confident92.9Very high12 Ų1251.1 Ų51.112%0.12425%0.247CC..THydrogen-bonded Turntrans111.9-9.4-170.800000114.8Y186 V190 D191 L192Y186-G188 PolarHBondContact O-N 2.96Å; G188-V190 VanDerWaalsContact C-N 3.33Å; G188-V190 PolarHBondContact O-N 3.4Å; G188-D191 PolarHBondContact O-N 2.79Å; G188-L192 PolarHBondContact O-N 3.21Å; G188-L192 VanDerWaalsContact O-N 3.15Å
189S92.5Very high92.6Very high3 Ų359.2 Ų59.22%0.02128%0.278CS..Hα-helixtrans-64.4-34.7-179.158.70000113.4D179 Y186 D191 L192 I193D179-S189 VanDerWaalsContact CG-OG 3.25Å; D179-S189 WeakPolarHBondContact OD1-CB 3.49Å; D179-S189 PolarHBondContact OD1-OG 3.01Å; D179-S189 PolarHBondContact OD2-OG 2.94Å; Y186-S189 PolarHBondContact N-OG 2.84Å; Y186-S189 WeakPolarHBondContact O-CB 3.26Å; Y186-S189 PolarHBondContact O-N 3Å; Y186-S189 PolarHBondContact O-OG 2.93Å; S189-D191 VanDerWaalsContact C-N 3.32Å; S189-D191 PolarHBondContact O-N 2.79Å; S189-L192 WeakPolarHBondContact O-CB 3.27Å; S189-L192 PolarHBondContact O-N 3.29Å; S189-I193 WeakPolarHBondContact O-CG1 3.44Å; S189-I193 PolarHBondContact O-N 3.37Å
190V94.3Very high92.4Very high34 Ų3460 Ų6021%0.20628%0.279CS..Hα-helixtrans-61.3-40.7174.7179.10000111.3A175 E176 D179 G188 I193 R194A175-V190 HydrophobicContact CB-CG1 4.08Å; E176-V190 HydrophobicContact CG-CG1 3.97Å; D179-V190 HydrophobicContact CB-CG2 3.83Å; G188-V190 VanDerWaalsContact C-N 3.33Å; G188-V190 PolarHBondContact O-N 3.4Å; V190-I193 PolarHBondContact O-N 2.92Å; V190-R194 VanDerWaalsContact O-CB 3.27Å; V190-R194 WeakPolarHBondContact O-CB 3.48Å; V190-R194 PolarHBondContact O-N 3.39Å
191D91Very high92.3Very high77 Ų7758.1 Ų58.141%0.41227%0.266SS..Hα-helixtrans-68.3-38.3178.2-70.7-22.2000111.7G188 S189 R194 R195G188-D191 PolarHBondContact O-N 2.79Å; S189-D191 VanDerWaalsContact C-N 3.32Å; S189-D191 PolarHBondContact O-N 2.79Å; D191-R194 IonicContact OD1-NH1 3.8Å; D191-R194 PolarHBondContact OD1-NH1 3.13Å; D191-R195 VanDerWaalsContact O-CB 3.26Å; D191-R195 WeakPolarHBondContact O-CB 3.26Å; D191-R195 PolarHBondContact O-N 3.48Å
192L90.7Very high92.4Very high19 Ų1955.1 Ų55.110%0.09925%0.253CS..Hα-helixtrans-59-53.4170.8168.866.8000110.7W182 Y186 G188 S189 R194 R195 V196 M226W182-L192 HydrophobicContact CH2-CD2 4.39Å; Y186-L192 WeakPolarHBondContact OH-CD2 3.32Å; G188-L192 PolarHBondContact O-N 3.21Å; G188-L192 VanDerWaalsContact O-N 3.15Å; S189-L192 WeakPolarHBondContact O-CB 3.27Å; S189-L192 PolarHBondContact O-N 3.29Å; L192-R194 PolarHBondContact O-N 3.45Å; L192-R195 PolarHBondContact O-N 3.45Å; L192-V196 HydrophobicContact CD1-CG2 4.14Å; L192-V196 WeakPolarHBondContact O-CB 3.38Å; L192-V196 WeakPolarHBondContact O-CG2 3.03Å; L192-V196 PolarHBondContact O-N 3.01Å; L192-M226 HydrophobicContact CD2-CE 4.48Å
193I95.5Very high92.6Very high0 Ų053.2 Ų53.20%025%0.246CC..Hα-helixtrans-60.6-46.3-178.2-71.4163000110.5A175 V178 D179 W182 S189 V190 R195 V196 I197 M217A175-I193 HydrophobicContact CB-CB 4.42Å; A175-I193 HydrophobicContact CB-CG2 3.88Å; V178-I193 HydrophobicContact CB-CG2 4.16Å; V178-I193 HydrophobicContact CG1-CD1 4.36Å; V178-I193 HydrophobicContact CG1-CG2 3.91Å; D179-I193 HydrophobicContact CB-CD1 3.53Å; D179-I193 VanDerWaalsContact OD1-CD1 3.28Å; D179-I193 WeakPolarHBondContact OD1-CD1 3.31Å; W182-I193 HydrophobicContact CE3-CD1 4.36Å; S189-I193 WeakPolarHBondContact O-CG1 3.44Å; S189-I193 PolarHBondContact O-N 3.37Å; V190-I193 PolarHBondContact O-N 2.92Å; I193-R195 PolarHBondContact O-N 2.9Å; I193-V196 PolarHBondContact O-N 3.36Å; I193-I197 HydrophobicContact CG2-CD1 3.73Å; I193-I197 HydrophobicContact CG2-CG1 4.36Å; I193-I197 VanDerWaalsContact O-CG1 3.3Å; I193-I197 WeakPolarHBondContact O-CG1 3.42Å; I193-I197 PolarHBondContact O-N 3.05Å; I193-M217 HydrophobicContact CG1-CE 4.29Å; I193-M217 HydrophobicContact CG2-CE 4.03Å; I193-M217 HydrophobicContact CG2-SD 4.24Å
194R95.9Very high93.1Very high55 Ų5548.1 Ų48.121%0.20821%0.213CC..Hα-helixtrans-58.4-48.2177.8-172.8173.9-64.7113-2.1111.7P172 A175 E176 V190 D191 L192 V196 I197 E198P172-R194 HydrophobicContact CB-CG 3.97Å; P172-R194 PolarHBondContact O-NE 3.45Å; A175-R194 HydrophobicContact CB-CB 3.77Å; A175-R194 HydrophobicContact CB-CG 4.43Å; E176-R194 IonicContact OE1-CZ 3.92Å; E176-R194 IonicContact OE1-NH2 3Å; E176-R194 PolarHBondContact OE1-NH2 2.64Å; E176-R194 IonicContact OE2-NH2 2.79Å; E176-R194 PolarHBondContact OE2-NH2 3.23Å; V190-R194 VanDerWaalsContact O-CB 3.27Å; V190-R194 WeakPolarHBondContact O-CB 3.48Å; V190-R194 PolarHBondContact O-N 3.39Å; D191-R194 IonicContact OD1-NH1 3.8Å; D191-R194 PolarHBondContact OD1-NH1 3.13Å; L192-R194 PolarHBondContact O-N 3.45Å; R194-V196 VanDerWaalsContact C-N 3.31Å; R194-V196 PolarHBondContact O-N 2.85Å; R194-I197 PolarHBondContact O-N 3.04Å; R194-E198 WeakPolarHBondContact O-CG 3.36Å; R194-E198 PolarHBondContact O-N 2.98Å
195R92.1Very high93.5Very high63 Ų6343.3 Ų43.324%0.23819%0.194CC..Hα-helixtrans-60-40.9177.1-178.3177.768.4-117.79.6112D191 L192 I193 E198 R199 D220D191-R195 VanDerWaalsContact O-CB 3.26Å; D191-R195 WeakPolarHBondContact O-CB 3.26Å; D191-R195 PolarHBondContact O-N 3.48Å; L192-R195 PolarHBondContact O-N 3.45Å; I193-R195 PolarHBondContact O-N 2.9Å; R195-E198 PolarHBondContact O-N 2.88Å; R195-R199 VanDerWaalsContact O-CB 3.32Å; R195-R199 WeakPolarHBondContact O-CB 3.42Å; R195-R199 WeakPolarHBondContact O-CG 3.13Å; R195-R199 PolarHBondContact O-N 3.34Å; R195-D220 IonicContact CZ-OD2 2.72Å; R195-D220 IonicContact NE-OD2 3.81Å; R195-D220 PolarHBondContact NE-OD2 2.88Å; R195-D220 IonicContact NH2-OD1 3.03Å; R195-D220 IonicContact NH2-OD2 3.3Å; R195-D220 PolarHBondContact NH2-OD2 3.39Å
196V94.3Very high93.8Very high0 Ų037.5 Ų37.50%017%0.172CC..Hα-helixtrans-65.3-45177163.90000111L192 I193 R194 E198 R199 R200 M217 V218 D220 M226L192-V196 HydrophobicContact CD1-CG2 4.14Å; L192-V196 WeakPolarHBondContact O-CB 3.38Å; L192-V196 WeakPolarHBondContact O-CG2 3.03Å; L192-V196 PolarHBondContact O-N 3.01Å; I193-V196 PolarHBondContact O-N 3.36Å; R194-V196 VanDerWaalsContact C-N 3.31Å; R194-V196 PolarHBondContact O-N 2.85Å; V196-E198 VanDerWaalsContact C-N 3.3Å; V196-E198 PolarHBondContact O-N 3.39Å; V196-R199 PolarHBondContact O-N 3.42Å; V196-R200 HydrophobicContact CG1-CB 4.28Å; V196-R200 WeakPolarHBondContact O-CA 3.11Å; V196-R200 WeakPolarHBondContact O-CB 3.43Å; V196-R200 PolarHBondContact O-N 2.91Å; V196-M217 HydrophobicContact CG1-CB 3.65Å; V196-M217 HydrophobicContact CG1-CG 4.35Å; V196-M217 HydrophobicContact CG1-SD 3.99Å; V196-V218 WeakPolarHBondContact CG1-O 3.3Å; V196-D220 HydrophobicContact CG2-CB 4.26Å; V196-M226 HydrophobicContact CG1-SD 4.39Å; V196-M226 HydrophobicContact CG2-SD 4.43Å
197I96.7Very high94.1Very high10 Ų1036 Ų365%0.05117%0.169CC..Hα-helixtrans-58-43.3176-69.1167000111.1L170 P172 A175 I193 R194 N202 M217L170-I197 HydrophobicContact CB-CD1 4.01Å; L170-I197 HydrophobicContact CB-CG1 3.93Å; L170-I197 HydrophobicContact CB-CG2 3.87Å; L170-I197 HydrophobicContact CD1-CD1 4.1Å; L170-I197 HydrophobicContact CD1-CG1 3.99Å; L170-I197 VanDerWaalsContact O-CG2 3.3Å; L170-I197 WeakPolarHBondContact O-CG2 3.31Å; P172-I197 HydrophobicContact CG-CG2 4.35Å; A175-I197 HydrophobicContact CB-CD1 4.26Å; I193-I197 HydrophobicContact CG2-CD1 3.73Å; I193-I197 HydrophobicContact CG2-CG1 4.36Å; I193-I197 VanDerWaalsContact O-CG1 3.3Å; I193-I197 WeakPolarHBondContact O-CG1 3.42Å; I193-I197 PolarHBondContact O-N 3.05Å; R194-I197 PolarHBondContact O-N 3.04Å; I197-N202 PolarHBondContact O-ND2 2.78Å; I197-M217 HydrophobicContact CD1-SD 4.22Å; I197-M217 HydrophobicContact CG1-SD 3.55Å; I197-M217 VanDerWaalsContact CG1-SD 3.55Å
198E94.3Very high94.2Very high110 Ų11034.5 Ų34.551%0.51418%0.177SC..Hα-helixtrans-70.7-34.7-177.9-72.6171.6172.900113.8P172 R194 R195 V196P172-E198 HydrophobicContact CB-CG 3.97Å; P172-E198 HydrophobicContact CG-CG 3.53Å; R194-E198 WeakPolarHBondContact O-CG 3.36Å; R194-E198 PolarHBondContact O-N 2.98Å; R195-E198 PolarHBondContact O-N 2.88Å; V196-E198 VanDerWaalsContact C-N 3.3Å; V196-E198 PolarHBondContact O-N 3.39Å
199R90.7Very high94.4Very high172 Ų17238 Ų3865%0.64920%0.204SC*.Hα-helixtrans-114.4-18.5-164.4-60.1-178.3-175-174.8-1.1114.4R195 V196R195-R199 VanDerWaalsContact O-CB 3.32Å; R195-R199 WeakPolarHBondContact O-CB 3.42Å; R195-R199 WeakPolarHBondContact O-CG 3.13Å; R195-R199 PolarHBondContact O-N 3.34Å; V196-R199 PolarHBondContact O-N 3.42Å
200R93.2Very high94.5Very high30 Ų3039.5 Ų39.511%0.11322%0.22CC..SBendtrans-123153.1-171.7-60.1-61.2-174.7-166.98.3111Y32 V196 N202 V218 D220Y32-R200 VanDerWaalsContact CD1-NH1 3.35Å; V196-R200 HydrophobicContact CG1-CB 4.28Å; V196-R200 WeakPolarHBondContact O-CA 3.11Å; V196-R200 WeakPolarHBondContact O-CB 3.43Å; V196-R200 PolarHBondContact O-N 2.91Å; R200-N202 PolarHBondContact O-N 3.35Å; R200-N202 PolarHBondContact O-ND2 3.15Å; R200-V218 HydrophobicContact CB-CB 4.24Å; R200-V218 WeakPolarHBondContact CB-O 3.49Å; R200-V218 WeakPolarHBondContact CG-O 3.49Å; R200-D220 HydrophobicContact CG-CB 4.04Å; R200-D220 PolarHBondContact NH2-O 2.91Å
201P95.4Very high94.6Very high19 Ų1943 Ų4312%0.12324%0.238CC..  trans-53.4133.5172.8-25.434.9000110.8Y32 V218 L247 K250Y32-P201 WeakPolarHBondContact OH-CG 3.29Å; P201-V218 HydrophobicContact CB-CG2 4.04Å; P201-V218 HydrophobicContact CG-CG2 4.46Å; P201-V218 WeakPolarHBondContact O-CG2 3.43Å; P201-V218 PolarHBondContact O-N 2.88Å; P201-L247 HydrophobicContact CB-CD1 4.21Å; P201-K250 HydrophobicContact CB-CB 4Å; P201-K250 HydrophobicContact CB-CD 4.3Å
202N98Very high94.8Very high5 Ų540.1 Ų40.13%0.02722%0.222CC..EExtended strand (participates in β ladder)trans-139.6164170.567.378.4000108.5E169 L170 I197 R200 A216 M217 K250E169-N202 WeakPolarHBondContact CA-OD1 3.3Å; E169-N202 WeakPolarHBondContact CB-OD1 3.14Å; L170-N202 HydrophobicContact CD1-CB 4.48Å; L170-N202 PolarHBondContact N-OD1 2.88Å; I197-N202 PolarHBondContact O-ND2 2.78Å; R200-N202 PolarHBondContact O-N 3.35Å; R200-N202 PolarHBondContact O-ND2 3.15Å; N202-A216 WeakPolarHBondContact CA-O 3.26Å; N202-M217 HydrophobicContact CB-CB 4.17Å; N202-M217 HydrophobicContact CB-CG 3.83Å; N202-K250 PolarHBondContact O-NZ 3.42Å
203V98Very high95.1Very high1 Ų139.2 Ų39.21%0.00622%0.218CC..EExtended strand (participates in β ladder)trans-145.1140.417366.10000108.8L167 W215 A216 I243 V246 L247L167-V203 HydrophobicContact CD2-CG2 3.71Å; V203-W215 CarbonylContact O-C 3.59Å; V203-W215 VanDerWaalsContact O-CA 3.22Å; V203-W215 WeakPolarHBondContact O-CA 3.31Å; V203-A216 PolarHBondContact N-O 3.24Å; V203-A216 PolarHBondContact O-N 2.89Å; V203-I243 HydrophobicContact CG1-CB 4.27Å; V203-I243 HydrophobicContact CG1-CG2 3.65Å; V203-I243 WeakPolarHBondContact CG1-O 3.39Å; V203-V246 HydrophobicContact CB-CG1 4.32Å; V203-V246 HydrophobicContact CG2-CB 4.12Å; V203-V246 HydrophobicContact CG2-CG1 3.66Å; V203-L247 HydrophobicContact CG1-CB 3.86Å; V203-L247 HydrophobicContact CG1-CD1 4.26Å
204C98.1Very high95.2Very high0 Ų039.2 Ų39.20%022%0.218CC..EExtended strand (participates in β ladder)trans-129.2156.8167.372.40000110.7S168 E169 L170 L212 G214 W215S168-C204 PolarHBondContact N-O 2.77Å; S168-C204 PolarHBondContact O-N 3.33Å; E169-C204 PolarHBondContact O-SG 2.79Å; L170-C204 HydrophobicContact CD2-CB 3.96Å; L170-C204 HydrophobicContact CG-CB 4.16Å; C204-L212 HydrophobicContact CB-CD2 3.71Å; C204-G214 CarbonylContact C-O 3.56Å; C204-G214 VanDerWaalsContact CA-O 3.24Å; C204-G214 WeakPolarHBondContact CA-O 3.27Å; C204-G214 WeakPolarHBondContact CB-O 3.37Å; C204-W215 HydrophobicContact CB-CB 4.02Å
205L96.9Very high95.3Very high0 Ų036.7 Ų36.70%021%0.208CC..EExtended strand (participates in β ladder)trans-103139.8163.8-82.6171.6000108.8L161 F165 V166 L167 V213 G214 V239 L242 I243L161-L205 HydrophobicContact CD2-CD2 3.68Å; F165-L205 HydrophobicContact CB-CD2 4.03Å; V166-L205 WeakPolarHBondContact O-CA 3.45Å; L167-L205 HydrophobicContact CD2-CD2 3.75Å; L167-L205 HydrophobicContact CD2-CG 4.24Å; L167-L205 HydrophobicContact CG-CD2 3.91Å; L205-V213 HydrophobicContact CB-CB 3.97Å; L205-V213 HydrophobicContact CB-CG1 4.27Å; L205-V213 VanDerWaalsContact O-CB 3.31Å; L205-V213 WeakPolarHBondContact O-CB 3.3Å; L205-V213 PolarHBondContact O-N 3.15Å; L205-G214 PolarHBondContact N-O 3.28Å; L205-V239 HydrophobicContact CD1-CB 4.21Å; L205-V239 HydrophobicContact CD1-CG1 3.67Å; L205-V239 HydrophobicContact CD1-CG2 4.38Å; L205-L242 HydrophobicContact CD1-CB 4.46Å; L205-L242 HydrophobicContact CD1-CD2 3.87Å; L205-L242 HydrophobicContact CD2-CD2 3.89Å; L205-L242 HydrophobicContact CG-CD2 4.15Å; L205-I243 HydrophobicContact CD1-CD1 4.26Å; L205-I243 HydrophobicContact CD1-CG1 3.98Å; L205-I243 HydrophobicContact CG-CD1 4.48Å; L205-I243 HydrophobicContact CG-CG1 4.11Å
206R97Very high95.6Very high25 Ų2533.7 Ų33.79%0.09420%0.197CC..EExtended strand (participates in β ladder)trans-122.6153.1174.4-63.5-179.7-175.2-76.2-6.4110.5F165 V166 E169 E174 G210 N211 L212F165-R206 CarbonylContact C-O 3.52Å; F165-R206 VanDerWaalsContact CA-O 3.23Å; F165-R206 WeakPolarHBondContact CA-O 3.49Å; V166-R206 PolarHBondContact N-O 2.89Å; V166-R206 PolarHBondContact O-N 3.49Å; E169-R206 PolarHBondContact O-NH2 2.81Å; E169-R206 VanDerWaalsContact O-NH2 3.14Å; E174-R206 IonicContact OE1-CZ 2.81Å; E174-R206 VanDerWaalsContact OE1-CZ 3.26Å; E174-R206 IonicContact OE1-NH1 3.26Å; E174-R206 PolarHBondContact OE1-NH1 2.99Å; E174-R206 IonicContact OE1-NH2 3.77Å; E174-R206 PolarHBondContact OE1-NH2 2.86Å; E174-R206 IonicContact OE2-CZ 2.82Å; E174-R206 IonicContact OE2-NH2 2.66Å; E174-R206 PolarHBondContact OE2-NH2 3.47Å; R206-G210 WeakPolarHBondContact CD-O 3.28Å; R206-G210 PolarHBondContact NH1-O 2.98Å; R206-N211 CarbonylContact C-O 3.53Å; R206-N211 WeakPolarHBondContact CA-O 3.47Å; R206-L212 HydrophobicContact CG-CD2 4.31Å
207T94.5Very high95.8Very high25 Ų2533.7 Ų33.715%0.15320%0.197CC..  trans-68.6165.8165.669.60000109.8F165 A209 G210 N211 V213 F234F165-T207 HydrophobicContact CE1-CG2 4.48Å; T207-A209 PolarHBondContact O-N 3.03Å; T207-A209 PolarHBondContact OG1-N 3.34Å; T207-G210 PolarHBondContact O-N 2.87Å; T207-N211 HydrophobicContact CG2-CB 4.35Å; T207-N211 PolarHBondContact N-O 2.83Å; T207-N211 PolarHBondContact OG1-N 3.35Å; T207-V213 HydrophobicContact CG2-CG2 3.67Å; T207-F234 HydrophobicContact CG2-CE1 4.13Å; T207-F234 HydrophobicContact CG2-CZ 3.79Å
208G91.5Very high95.8Very high65 Ų6533.2 Ų33.267%0.6719%0.194SC*.THydrogen-bonded Turntrans-57.9-16.2171.800000114.5N164N164-G208 PolarHBondContact O-N 2.9Å
209A93Very high95.7Very high84 Ų8428.9 Ų28.969%0.69418%0.175SC*.THydrogen-bonded Turntrans-90.70.4173.700000113.8T207T207-A209 PolarHBondContact O-N 3.03Å; T207-A209 PolarHBondContact OG1-N 3.34Å
210G94.4Very high95.3Very high36 Ų3621.1 Ų21.137%0.37115%0.146SC..SBendtrans92.2-2.3177.600000116R206 T207R206-G210 WeakPolarHBondContact CD-O 3.28Å; R206-G210 PolarHBondContact NH1-O 2.98Å; T207-G210 PolarHBondContact O-N 2.87Å
211N95Very high94.7Very high106 Ų10621.4 Ų21.457%0.56715%0.148SC*.  trans-74.1137.1-178.8-63.2-40.2000111.6R206 T207R206-N211 CarbonylContact C-O 3.53Å; R206-N211 WeakPolarHBondContact CA-O 3.47Å; T207-N211 HydrophobicContact CG2-CB 4.35Å; T207-N211 PolarHBondContact N-O 2.83Å; T207-N211 PolarHBondContact OG1-N 3.35Å
212L96.8Very high94Very high17 Ų1720.7 Ų20.79%0.08914%0.143CC..EExtended strand (participates in β ladder)trans-58141.3174.4-74.3174.5000111.8L170 E174 F177 C204 R206 W215 L231L170-L212 HydrophobicContact CD2-CD1 4.23Å; L170-L212 HydrophobicContact CD2-CD2 3.94Å; E174-L212 WeakPolarHBondContact OE1-CD1 3.4Å; F177-L212 HydrophobicContact CD1-CD1 3.7Å; F177-L212 HydrophobicContact CE1-CB 4.36Å; F177-L212 HydrophobicContact CE1-CD1 3.81Å; C204-L212 HydrophobicContact CB-CD2 3.71Å; R206-L212 HydrophobicContact CG-CD2 4.31Å; L212-W215 HydrophobicContact CB-CZ3 4.44Å; L212-W215 HydrophobicContact CD1-CE3 4.49Å; L212-L231 WeakPolarHBondContact O-CD1 3.4Å
213V96.7Very high93.5Very high0 Ų020.4 Ų20.40%014%0.142CC..EExtended strand (participates in β ladder)trans-116.1-45.3179.2172.50000110.2F165 L205 T207 L231 F234 V239F165-V213 HydrophobicContact CD1-CG2 4.17Å; F165-V213 HydrophobicContact CE1-CG1 4.44Å; F165-V213 HydrophobicContact CE1-CG2 4.05Å; F165-V213 HydrophobicContact CE2-CG1 4.19Å; F165-V213 HydrophobicContact CZ-CG1 4.11Å; L205-V213 HydrophobicContact CB-CB 3.97Å; L205-V213 HydrophobicContact CB-CG1 4.27Å; L205-V213 VanDerWaalsContact O-CB 3.31Å; L205-V213 WeakPolarHBondContact O-CB 3.3Å; L205-V213 PolarHBondContact O-N 3.15Å; T207-V213 HydrophobicContact CG2-CG2 3.67Å; V213-L231 PolarHBondContact O-N 3.37Å; V213-F234 HydrophobicContact CB-CD2 3.97Å; V213-F234 HydrophobicContact CB-CE2 4.36Å; V213-F234 HydrophobicContact CB-CG 4.36Å; V213-F234 HydrophobicContact CG1-CB 3.54Å; V213-F234 HydrophobicContact CG1-CD1 4.38Å; V213-F234 HydrophobicContact CG1-CD2 3.71Å; V213-F234 HydrophobicContact CG1-CG 3.65Å; V213-F234 HydrophobicContact CG2-CD2 4.01Å; V213-F234 HydrophobicContact CG2-CE2 3.99Å; V213-F234 HydrophobicContact CG2-CG 4.35Å; V213-F234 HydrophobicContact CG2-CZ 4.3Å; V213-V239 HydrophobicContact CG1-CG1 3.82Å; V213-V239 HydrophobicContact CG1-CG2 3.95Å
214G97.2Very high93.3Very high0 Ų020.6 Ų20.60%014%0.143CC..EExtended strand (participates in β ladder)trans-171.1165.9179.200000110.3C204 L205 Y229C204-G214 CarbonylContact C-O 3.56Å; C204-G214 VanDerWaalsContact CA-O 3.24Å; C204-G214 WeakPolarHBondContact CA-O 3.27Å; C204-G214 WeakPolarHBondContact CB-O 3.37Å; L205-G214 PolarHBondContact N-O 3.28Å; G214-Y229 CarbonylContact C-O 3.45Å; G214-Y229 WeakPolarHBondContact CA-O 3.49Å
215W98.4Very high93.2Very high3 Ų321.2 Ų21.21%0.01115%0.145CC..EExtended strand (participates in β ladder)trans-154.5165.6-17755.287.2000112.2L170 F177 V178 F181 V203 C204 L212 H227 L228 Y229 L231L170-W215 HydrophobicContact CD1-CB 4.01Å; L170-W215 HydrophobicContact CD1-CG 4.33Å; L170-W215 HydrophobicContact CD2-CB 4.06Å; L170-W215 HydrophobicContact CD2-CG 4.42Å; L170-W215 HydrophobicContact CG-CB 4.26Å; F177-W215 HydrophobicContact CD1-CH2 4.34Å; F177-W215 AromaticContact CE1-CH2 3.84Å; F177-W215 HydrophobicContact CE1-CH2 3.84Å; F177-W215 AromaticContact CE1-CZ3 3.87Å; F177-W215 HydrophobicContact CE1-CZ3 3.87Å; V178-W215 HydrophobicContact CG2-CD2 4.19Å; V178-W215 HydrophobicContact CG2-CG 4.34Å; V178-W215 HydrophobicContact CG2-CZ2 4.38Å; F181-W215 HydrophobicContact CB-CZ2 4.16Å; F181-W215 AromaticContact CD2-CH2 3.68Å; F181-W215 HydrophobicContact CD2-CH2 3.68Å; F181-W215 AromaticContact CD2-CZ2 3.92Å; F181-W215 HydrophobicContact CD2-CZ2 3.92Å; F181-W215 HydrophobicContact CE2-CH2 4.13Å; F181-W215 HydrophobicContact CG-CH2 4.21Å; F181-W215 HydrophobicContact CG-CZ2 4.26Å; V203-W215 CarbonylContact O-C 3.59Å; V203-W215 VanDerWaalsContact O-CA 3.22Å; V203-W215 WeakPolarHBondContact O-CA 3.31Å; C204-W215 HydrophobicContact CB-CB 4.02Å; L212-W215 HydrophobicContact CB-CZ3 4.44Å; L212-W215 HydrophobicContact CD1-CE3 4.49Å; W215-H227 VanDerWaalsContact CD1-O 3.31Å; W215-L228 WeakPolarHBondContact O-CA 3.2Å; W215-Y229 AromaticContact CH2-CD1 3.53Å; W215-Y229 HydrophobicContact CH2-CD1 3.53Å; W215-Y229 HydrophobicContact CH2-CE1 4.14Å; W215-Y229 HydrophobicContact CH2-CG 4.39Å; W215-Y229 AromaticContact CZ2-CD1 3.55Å; W215-Y229 HydrophobicContact CZ2-CD1 3.55Å; W215-Y229 HydrophobicContact CZ2-CE1 4.41Å; W215-Y229 AromaticContact CZ2-CG 3.97Å; W215-Y229 HydrophobicContact CZ2-CG 3.97Å; W215-Y229 HydrophobicContact CZ3-CD1 4.2Å; W215-Y229 PolarHBondContact N-O 3.12Å; W215-Y229 PolarHBondContact O-N 3.32Å; W215-L231 HydrophobicContact CH2-CD2 4.29Å; W215-L231 HydrophobicContact CH2-CG 4.47Å; W215-L231 HydrophobicContact CZ3-CD2 4.43Å; W215-L231 HydrophobicContact CZ3-CG 4.16Å
216A98.1Very high93.1Very high0 Ų022.2 Ų22.20%015%0.15CC..EExtended strand (participates in β ladder)trans-154.2159.5162.700000109.3N202 V203 L228 I243 L247N202-A216 WeakPolarHBondContact CA-O 3.26Å; V203-A216 PolarHBondContact N-O 3.24Å; V203-A216 PolarHBondContact O-N 2.89Å; A216-L228 HydrophobicContact CB-CB 4.32Å; A216-L228 HydrophobicContact CB-CD1 4.04Å; A216-I243 HydrophobicContact CB-CG2 3.41Å; A216-I243 VanDerWaalsContact CB-CG2 3.41Å; A216-L247 HydrophobicContact CB-CD2 3.61Å
217M97.8Very high92.9Very high0 Ų022.2 Ų22.20%015%0.151CC..EExtended strand (participates in β ladder)trans-138.9166.9-176.3-53.2-180-73.500110.7L170 V178 I193 V196 I197 N202 E225 M226 H227L170-M217 HydrophobicContact CD1-CG 3.75Å; L170-M217 HydrophobicContact CD1-SD 3.7Å; V178-M217 HydrophobicContact CG1-CE 3.99Å; I193-M217 HydrophobicContact CG1-CE 4.29Å; I193-M217 HydrophobicContact CG2-CE 4.03Å; I193-M217 HydrophobicContact CG2-SD 4.24Å; V196-M217 HydrophobicContact CG1-CB 3.65Å; V196-M217 HydrophobicContact CG1-CG 4.35Å; V196-M217 HydrophobicContact CG1-SD 3.99Å; I197-M217 HydrophobicContact CD1-SD 4.22Å; I197-M217 HydrophobicContact CG1-SD 3.55Å; I197-M217 VanDerWaalsContact CG1-SD 3.55Å; N202-M217 HydrophobicContact CB-CB 4.17Å; N202-M217 HydrophobicContact CB-CG 3.83Å; M217-E225 CarbonylContact O-C 3.58Å; M217-E225 WeakPolarHBondContact O-CA 3.43Å; M217-M226 HydrophobicContact CB-CG 4.17Å; M217-M226 PolarHBondContact N-O 3.22Å; M217-M226 WeakPolarHBondContact O-CG 3.29Å; M217-M226 PolarHBondContact O-N 3.44Å; M217-H227 HydrophobicContact CE-CB 3.61Å
218V96.5Very high93Very high0 Ų023.9 Ų23.90%016%0.159CC..EExtended strand (participates in β ladder)trans-104.2126.3172.5176.50000110.2V196 R200 P201 D224 L247 I251V196-V218 WeakPolarHBondContact CG1-O 3.3Å; R200-V218 HydrophobicContact CB-CB 4.24Å; R200-V218 WeakPolarHBondContact CB-O 3.49Å; R200-V218 WeakPolarHBondContact CG-O 3.49Å; P201-V218 HydrophobicContact CB-CG2 4.04Å; P201-V218 HydrophobicContact CG-CG2 4.46Å; P201-V218 WeakPolarHBondContact O-CG2 3.43Å; P201-V218 PolarHBondContact O-N 2.88Å; V218-D224 CarbonylContact C-O 3.56Å; V218-D224 WeakPolarHBondContact CA-O 3.15Å; V218-L247 HydrophobicContact CG2-CD1 3.94Å; V218-L247 HydrophobicContact CG2-CD2 4.3Å; V218-L247 HydrophobicContact CG2-CG 4.13Å; V218-I251 HydrophobicContact CG2-CD1 3.77Å; V218-I251 HydrophobicContact CG2-CG1 3.65Å
219N92Very high93.3Very high18 Ų1823.6 Ų23.610%0.09614%0.138CC..  trans-59.9145176.6-172.7-65.3000111.8K221 M222 S223 D224 M226N219-K221 PolarHBondContact OD1-N 3.39Å; N219-M222 HydrophobicContact CB-CB 4.13Å; N219-M222 PolarHBondContact OD1-N 2.57Å; N219-M222 VanDerWaalsContact OD1-N 3.08Å; N219-S223 WeakPolarHBondContact O-CA 3.32Å; N219-S223 PolarHBondContact O-N 3.2Å; N219-S223 VanDerWaalsContact O-N 3.17Å; N219-D224 WeakPolarHBondContact CB-OD1 3.49Å; N219-D224 PolarHBondContact N-O 2.72Å; N219-M226 WeakPolarHBondContact CA-SD 3.44Å; N219-M226 HydrophobicContact CB-CG 4.35Å; N219-M226 HydrophobicContact CB-SD 3.51Å; N219-M226 VanDerWaalsContact CB-SD 3.51Å
220D82.8Confident93.4Very high10 Ų1020.2 Ų20.25%0.05311%0.109CC..SBendtrans-79-21.6-175.164.5-16.6000115.5R195 V196 R200R195-D220 IonicContact CZ-OD2 2.72Å; R195-D220 IonicContact NE-OD2 3.81Å; R195-D220 PolarHBondContact NE-OD2 2.88Å; R195-D220 IonicContact NH2-OD1 3.03Å; R195-D220 IonicContact NH2-OD2 3.3Å; R195-D220 PolarHBondContact NH2-OD2 3.39Å; V196-D220 HydrophobicContact CG2-CB 4.26Å; R200-D220 HydrophobicContact CG-CB 4.04Å; R200-D220 PolarHBondContact NH2-O 2.91Å
221K81.5Confident93.5Very high35 Ų3519 Ų1915%0.1529%0.094CC..SBendtrans-108.8-43.7179-57.1-45-164.4-153.10113.3L29 L61 E63 Y77 N219L29-K221 WeakPolarHBondContact CD1-O 2.84Å; L61-K221 HydrophobicContact CD2-CD 4.5Å; E63-K221 WeakPolarHBondContact OE1-CE 2.8Å; E63-K221 IonicContact OE1-NZ 2.6Å; E63-K221 PolarHBondContact OE1-NZ 3.43Å; E63-K221 WeakPolarHBondContact OE2-CE 3.49Å; E63-K221 IonicContact OE2-NZ 2.81Å; Y77-K221 HydrophobicContact CE1-CB 4.01Å; Y77-K221 HydrophobicContact CE2-CB 4.34Å; Y77-K221 HydrophobicContact CE2-CG 4.23Å; N219-K221 PolarHBondContact OD1-N 3.39Å
222M79.3Confident93.4Very high4 Ų417.8 Ų17.82%0.029%0.094CC..SBendtrans-79.9-32.7-178.5-64.7-73.6-74.900109.5Y77 F79 H112 N219 D224 Y259 I286Y77-M222 HydrophobicContact CD1-CG 4.17Å; Y77-M222 HydrophobicContact CD1-SD 3.58Å; Y77-M222 VanDerWaalsContact CD1-SD 3.58Å; Y77-M222 HydrophobicContact CE1-CG 3.96Å; Y77-M222 HydrophobicContact CE1-SD 3.97Å; F79-M222 HydrophobicContact CE1-SD 4.15Å; H112-M222 HydrophobicContact CB-CE 4Å; H112-M222 HydrophobicContact CB-SD 4.19Å; H112-M222 WeakPolarHBondContact CD2-CE 3.28Å; H112-M222 PolarHBondContact CD2-SD 3.26Å; N219-M222 HydrophobicContact CB-CB 4.13Å; N219-M222 PolarHBondContact OD1-N 2.57Å; N219-M222 VanDerWaalsContact OD1-N 3.08Å; M222-D224 WeakPolarHBondContact CB-OD1 3.26Å; M222-D224 PolarHBondContact O-N 3Å; M222-Y259 WeakPolarHBondContact CA-OH 3.49Å; M222-Y259 VanDerWaalsContact CB-OH 3.31Å; M222-Y259 WeakPolarHBondContact CB-OH 3.42Å; M222-Y259 WeakPolarHBondContact O-CE1 3.43Å; M222-Y259 PolarHBondContact O-OH 3.36Å; M222-I286 HydrophobicContact CE-CD1 4.23Å
223S87.3Confident93.3Very high0 Ų022.7 Ų22.70%012%0.116CC..  trans59.827.6-171.9-49.60000112.9N28 Y32 N219 Y259N28-S223 VanDerWaalsContact CB-CB 3.46Å; N28-S223 PolarHBondContact ND2-O 3.02Å; Y32-S223 WeakPolarHBondContact CD2-OG 3.49Å; N219-S223 WeakPolarHBondContact O-CA 3.32Å; N219-S223 PolarHBondContact O-N 3.2Å; N219-S223 VanDerWaalsContact O-N 3.17Å; S223-Y259 VanDerWaalsContact C-CE1 3.49Å; S223-Y259 WeakPolarHBondContact O-CE1 3.43Å
224D94.2Very high93.2Very high5 Ų524.5 Ų24.53%0.02712%0.124CC..  trans-85.3157.6168.259.8-31.4000111.9V218 N219 M222 M226 Y259 C261V218-D224 CarbonylContact C-O 3.56Å; V218-D224 WeakPolarHBondContact CA-O 3.15Å; N219-D224 WeakPolarHBondContact CB-OD1 3.49Å; N219-D224 PolarHBondContact N-O 2.72Å; M222-D224 WeakPolarHBondContact CB-OD1 3.26Å; M222-D224 PolarHBondContact O-N 3Å; D224-M226 PolarHBondContact O-N 3.19Å; D224-Y259 CarbonylContact C-O 3.44Å; D224-Y259 VanDerWaalsContact CA-O 3.28Å; D224-Y259 WeakPolarHBondContact CA-O 3.38Å; D224-Y259 HydrophobicContact CB-CD1 4.09Å; D224-Y259 HydrophobicContact CB-CD2 4.08Å; D224-Y259 HydrophobicContact CB-CE1 3.68Å; D224-Y259 HydrophobicContact CB-CE2 3.67Å; D224-Y259 HydrophobicContact CB-CG 4.28Å; D224-Y259 VanDerWaalsContact CB-CZ 3.45Å; D224-Y259 WeakPolarHBondContact CB-O 3.44Å; D224-C261 PolarHBondContact OD2-SG 2.97Å
225E96.1Very high92.9Very high12 Ų1229.6 Ų29.66%0.05614%0.143CC..EExtended strand (participates in β ladder)trans-69.2122.6166.3-63.1-174.2-158.800109.8M217 L247 I251 Y259 K260 W279M217-E225 CarbonylContact O-C 3.58Å; M217-E225 WeakPolarHBondContact O-CA 3.43Å; E225-L247 HydrophobicContact CB-CD2 4.14Å; E225-L247 HydrophobicContact CG-CD2 3.73Å; E225-L247 HydrophobicContact CG-CG 4.19Å; E225-I251 HydrophobicContact CG-CD1 3.56Å; E225-Y259 PolarHBondContact N-O 3.49Å; E225-K260 HydrophobicContact CB-CB 4.16Å; E225-W279 HydrophobicContact CG-CH2 4.46Å; E225-W279 WeakPolarHBondContact OE1-CH2 3.22Å
226M94.1Very high92.3Very high21 Ų2138.7 Ų38.710%0.10319%0.186CC..EExtended strand (participates in β ladder)trans-127.1160.9-177.669.9-178.3-77.500111.3L192 V196 M217 N219 D224 L228L192-M226 HydrophobicContact CD2-CE 4.48Å; V196-M226 HydrophobicContact CG1-SD 4.39Å; V196-M226 HydrophobicContact CG2-SD 4.43Å; M217-M226 HydrophobicContact CB-CG 4.17Å; M217-M226 PolarHBondContact N-O 3.22Å; M217-M226 WeakPolarHBondContact O-CG 3.29Å; M217-M226 PolarHBondContact O-N 3.44Å; N219-M226 WeakPolarHBondContact CA-SD 3.44Å; N219-M226 HydrophobicContact CB-CG 4.35Å; N219-M226 HydrophobicContact CB-SD 3.51Å; N219-M226 VanDerWaalsContact CB-SD 3.51Å; D224-M226 PolarHBondContact O-N 3.19Å; M226-L228 VanDerWaalsContact C-N 3.27Å; M226-L228 PolarHBondContact O-N 2.87Å
227H94.7Very high91.7Very high25 Ų2541.3 Ų41.312%0.11620%0.198CC..EExtended strand (participates in β ladder)trans5632.6175-67.7-111.8000115.4W182 W215 M217 Y229W182-H227 AromaticContact CD1-CE1 3.68Å; W182-H227 AromaticContact CD1-ND1 3.89Å; W182-H227 AromaticContact CD2-CE1 3.12Å; W182-H227 AromaticContact CD2-NE2 3.72Å; W182-H227 AromaticContact CE2-CE1 3.39Å; W182-H227 AromaticContact CE2-NE2 3.51Å; W182-H227 AromaticContact CE3-CE1 3.43Å; W182-H227 VanDerWaalsContact CE3-CE1 3.43Å; W182-H227 AromaticContact CE3-NE2 3.98Å; W182-H227 AromaticContact CG-CE1 3.36Å; W182-H227 AromaticContact CG-ND1 3.77Å; W182-H227 AromaticContact CH2-NE2 3.92Å; W182-H227 AromaticContact CZ2-CE1 3.96Å; W182-H227 AromaticContact CZ2-NE2 3.65Å; W182-H227 AromaticContact CZ3-CE1 3.95Å; W182-H227 AromaticContact NE1-CE1 3.71Å; W182-H227 AromaticContact NE1-NE2 3.9Å; W215-H227 VanDerWaalsContact CD1-O 3.31Å; M217-H227 HydrophobicContact CE-CB 3.61Å; H227-Y229 PolarHBondContact O-N 2.94Å
228L96.3Very high91.3Very high60 Ų6049.6 Ų49.631%0.31423%0.234SC..EExtended strand (participates in β ladder)trans-59.5114.4170.2179.363.8000109.8W215 A216 M226 A240 I243 E244 F272W215-L228 WeakPolarHBondContact O-CA 3.2Å; A216-L228 HydrophobicContact CB-CB 4.32Å; A216-L228 HydrophobicContact CB-CD1 4.04Å; M226-L228 VanDerWaalsContact C-N 3.27Å; M226-L228 PolarHBondContact O-N 2.87Å; L228-A240 HydrophobicContact CD1-CB 4.29Å; L228-A240 HydrophobicContact CD2-CB 4.34Å; L228-I243 HydrophobicContact CD1-CB 4.17Å; L228-I243 HydrophobicContact CD1-CG2 3.59Å; L228-E244 HydrophobicContact CD1-CG 4.18Å; L228-E244 HydrophobicContact CD2-CG 3.67Å; L228-E244 WeakPolarHBondContact CD2-OE1 3.42Å; L228-F272 HydrophobicContact CD2-CD1 4.47Å; L228-F272 HydrophobicContact CD2-CE1 3.91Å
229Y96.5Very high91.2Very high59 Ų5949.7 Ų49.723%0.23124%0.235CC..EExtended strand (participates in β ladder)trans-141.8147179.9-164.5-96.9000111.7F181 G214 W215 H227 L231 R235F181-Y229 HydrophobicContact CB-CD1 4.32Å; F181-Y229 HydrophobicContact CB-CD2 4.48Å; F181-Y229 HydrophobicContact CB-CE1 4.08Å; F181-Y229 HydrophobicContact CB-CE2 4.26Å; F181-Y229 AromaticContact CD1-CE1 3.59Å; F181-Y229 HydrophobicContact CD1-CE1 3.59Å; F181-Y229 HydrophobicContact CD1-CE2 4.49Å; F181-Y229 AromaticContact CD1-CZ 3.57Å; F181-Y229 WeakPolarHBondContact CD1-OH 3.37Å; F181-Y229 HydrophobicContact CE1-CE1 4.18Å; F181-Y229 HydrophobicContact CG-CD1 4.36Å; F181-Y229 AromaticContact CG-CE1 3.83Å; F181-Y229 HydrophobicContact CG-CE1 3.83Å; G214-Y229 CarbonylContact C-O 3.45Å; G214-Y229 WeakPolarHBondContact CA-O 3.49Å; W215-Y229 AromaticContact CH2-CD1 3.53Å; W215-Y229 HydrophobicContact CH2-CD1 3.53Å; W215-Y229 HydrophobicContact CH2-CE1 4.14Å; W215-Y229 HydrophobicContact CH2-CG 4.39Å; W215-Y229 AromaticContact CZ2-CD1 3.55Å; W215-Y229 HydrophobicContact CZ2-CD1 3.55Å; W215-Y229 HydrophobicContact CZ2-CE1 4.41Å; W215-Y229 AromaticContact CZ2-CG 3.97Å; W215-Y229 HydrophobicContact CZ2-CG 3.97Å; W215-Y229 HydrophobicContact CZ3-CD1 4.2Å; W215-Y229 PolarHBondContact N-O 3.12Å; W215-Y229 PolarHBondContact O-N 3.32Å; H227-Y229 PolarHBondContact O-N 2.94Å; Y229-L231 HydrophobicContact CE1-CD2 4.09Å; Y229-L231 HydrophobicContact CE1-CG 4.5Å; Y229-R235 PolarHBondContact OH-NH2 3.15Å
230T96.1Very high91.2Very high13 Ų1350 Ų508%0.0824%0.24CC..EExtended strand (participates in β ladder)trans-134.4124.6170.6-61.30000107.7F234 R235 V239T230-F234 HydrophobicContact CG2-CB 4.2Å; T230-R235 HydrophobicContact CG2-CG 3.89Å; T230-R235 PolarHBondContact O-NE 2.93Å; T230-R235 PolarHBondContact O-NH2 2.89Å; T230-V239 HydrophobicContact CG2-CB 3.92Å; T230-V239 HydrophobicContact CG2-CG1 3.71Å; T230-V239 HydrophobicContact CG2-CG2 4.41Å; T230-V239 WeakPolarHBondContact OG1-CG1 3.42Å
231L95.6Very high91.7Very high12 Ų1252.4 Ų52.46%0.06326%0.255CS..  trans-56.6141.4176-68.2167000109.7F177 F181 L212 V213 W215 Y229 Q233 F234 R235F177-L231 HydrophobicContact CZ-CD2 4.38Å; F181-L231 HydrophobicContact CE1-CD2 3.78Å; F181-L231 HydrophobicContact CE2-CD2 3.99Å; F181-L231 HydrophobicContact CZ-CD2 3.48Å; F181-L231 VanDerWaalsContact CZ-CD2 3.48Å; L212-L231 WeakPolarHBondContact O-CD1 3.4Å; V213-L231 PolarHBondContact O-N 3.37Å; W215-L231 HydrophobicContact CH2-CD2 4.29Å; W215-L231 HydrophobicContact CH2-CG 4.47Å; W215-L231 HydrophobicContact CZ3-CD2 4.43Å; W215-L231 HydrophobicContact CZ3-CG 4.16Å; Y229-L231 HydrophobicContact CE1-CD2 4.09Å; Y229-L231 HydrophobicContact CE1-CG 4.5Å; L231-Q233 VanDerWaalsContact C-N 3.25Å; L231-Q233 PolarHBondContact O-N 3.48Å; L231-Q233 VanDerWaalsContact O-N 3.16Å; L231-F234 HydrophobicContact CB-CD2 3.98Å; L231-F234 HydrophobicContact CD1-CD2 4.35Å; L231-F234 HydrophobicContact CD1-CE2 4.23Å; L231-F234 PolarHBondContact O-N 2.94Å; L231-R235 PolarHBondContact O-N 3.29Å
232S94.3Very high92.3Very high80 Ų8051.2 Ų51.256%0.55925%0.25SS*.G310 helixtrans-54.4-40.6-168.8470000112.9F234 R235S232-F234 PolarHBondContact O-N 3.45Å; S232-R235 PolarHBondContact O-N 3.46Å
233Q93.8Very high93Very high119 Ų11951 Ų5156%0.55625%0.249SC*.G310 helixtrans-66.7-14.3179.869.1-88.22400114.8L231L231-Q233 VanDerWaalsContact C-N 3.25Å; L231-Q233 PolarHBondContact O-N 3.48Å; L231-Q233 VanDerWaalsContact O-N 3.16Å
234F93.5Very high93.4Very high38 Ų3851.4 Ų51.417%0.16725%0.251CS..G310 helixtrans-113.48.6-179.4-54.5-63.4000113.7F165 T207 V213 T230 L231 S232 V239F165-F234 HydrophobicContact CE1-CD1 4.34Å; F165-F234 HydrophobicContact CZ-CD1 4.07Å; T207-F234 HydrophobicContact CG2-CE1 4.13Å; T207-F234 HydrophobicContact CG2-CZ 3.79Å; V213-F234 HydrophobicContact CB-CD2 3.97Å; V213-F234 HydrophobicContact CB-CE2 4.36Å; V213-F234 HydrophobicContact CB-CG 4.36Å; V213-F234 HydrophobicContact CG1-CB 3.54Å; V213-F234 HydrophobicContact CG1-CD1 4.38Å; V213-F234 HydrophobicContact CG1-CD2 3.71Å; V213-F234 HydrophobicContact CG1-CG 3.65Å; V213-F234 HydrophobicContact CG2-CD2 4.01Å; V213-F234 HydrophobicContact CG2-CE2 3.99Å; V213-F234 HydrophobicContact CG2-CG 4.35Å; V213-F234 HydrophobicContact CG2-CZ 4.3Å; T230-F234 HydrophobicContact CG2-CB 4.2Å; L231-F234 HydrophobicContact CB-CD2 3.98Å; L231-F234 HydrophobicContact CD1-CD2 4.35Å; L231-F234 HydrophobicContact CD1-CE2 4.23Å; L231-F234 PolarHBondContact O-N 2.94Å; S232-F234 PolarHBondContact O-N 3.45Å; F234-V239 WeakPolarHBondContact O-CG2 3.33Å
235R91.6Very high93.4Very high107 Ų10751.4 Ų51.440%0.40425%0.251SS..THydrogen-bonded Turntrans-69.4164.7177.4-67.3-179.4-176.2171.30.7111.6Y229 T230 L231 S232 Q237Y229-R235 PolarHBondContact OH-NH2 3.15Å; T230-R235 HydrophobicContact CG2-CG 3.89Å; T230-R235 PolarHBondContact O-NE 2.93Å; T230-R235 PolarHBondContact O-NH2 2.89Å; L231-R235 PolarHBondContact O-N 3.29Å; S232-R235 PolarHBondContact O-N 3.46Å; R235-Q237 PolarHBondContact O-N 3.12Å
236Q85.4Confident93.4Very high194 Ų19451.8 Ų51.891%0.90725%0.254SS*.THydrogen-bonded Turntrans64.312.5-177.4-53.9-60.9-29.300115.3
237Q86.5Confident93.5Very high56 Ų5650.8 Ų50.826%0.26225%0.249SC..SBendtrans-108.425.2177.5-60.3176.345.300112.2N163 R235 V239N163-Q237 PolarHBondContact ND2-OE1 3.41Å; R235-Q237 PolarHBondContact O-N 3.12Å; Q237-V239 HydrophobicContact CB-CG2 4.12Å; Q237-V239 PolarHBondContact O-N 2.93Å
238K89Confident93.6Very high173 Ų17349.6 Ų49.675%0.75224%0.244SC*.SBendtrans56.412.8-176.1-58.4-178.5179.1178.60115.9A240 T241 L242K238-A240 PolarHBondContact O-N 2.62Å; K238-T241 PolarHBondContact O-N 2.82Å; K238-L242 PolarHBondContact O-N 2.86Å; K238-L242 VanDerWaalsContact O-N 3.07Å
239V93.6Very high93.6Very high3 Ų349.4 Ų49.42%0.01824%0.241CC..Hα-helixtrans-49.4-51.7178.3172.50000112.1F165 L205 V213 T230 F234 Q237 T241 L242 I243F165-V239 HydrophobicContact CD2-CG2 4.34Å; F165-V239 HydrophobicContact CE2-CG2 3.74Å; L205-V239 HydrophobicContact CD1-CB 4.21Å; L205-V239 HydrophobicContact CD1-CG1 3.67Å; L205-V239 HydrophobicContact CD1-CG2 4.38Å; V213-V239 HydrophobicContact CG1-CG1 3.82Å; V213-V239 HydrophobicContact CG1-CG2 3.95Å; T230-V239 HydrophobicContact CG2-CB 3.92Å; T230-V239 HydrophobicContact CG2-CG1 3.71Å; T230-V239 HydrophobicContact CG2-CG2 4.41Å; T230-V239 WeakPolarHBondContact OG1-CG1 3.42Å; F234-V239 WeakPolarHBondContact O-CG2 3.33Å; Q237-V239 HydrophobicContact CB-CG2 4.12Å; Q237-V239 PolarHBondContact O-N 2.93Å; V239-T241 PolarHBondContact O-N 2.84Å; V239-L242 PolarHBondContact O-N 3.33Å; V239-I243 HydrophobicContact CG1-CD1 3.76Å; V239-I243 WeakPolarHBondContact O-CG1 3.41Å; V239-I243 PolarHBondContact O-N 2.79Å
240A93.6Very high93.5Very high23 Ų2348.9 Ų48.919%0.1924%0.24CC..Hα-helixtrans-60.1-44.2-178.800000112.8L228 K238 L242 I243 E244 F272L228-A240 HydrophobicContact CD1-CB 4.29Å; L228-A240 HydrophobicContact CD2-CB 4.34Å; K238-A240 PolarHBondContact O-N 2.62Å; A240-L242 VanDerWaalsContact C-N 3.3Å; A240-L242 PolarHBondContact O-N 3.31Å; A240-I243 PolarHBondContact O-N 3.43Å; A240-E244 PolarHBondContact O-N 2.78Å; A240-F272 HydrophobicContact CB-CE1 4.37Å; A240-F272 HydrophobicContact CB-CE2 4.37Å; A240-F272 HydrophobicContact CB-CZ 3.98Å
241T92.3Very high93.5Very high61 Ų6148.3 Ų48.337%0.37424%0.236SC..Hα-helixtrans-60.9-41.8176.3-56.10000111.4K238 V239 E244 V245 F272K238-T241 PolarHBondContact O-N 2.82Å; V239-T241 PolarHBondContact O-N 2.84Å; T241-E244 PolarHBondContact O-N 3.2Å; T241-V245 HydrophobicContact CG2-CG2 4.4Å; T241-V245 VanDerWaalsContact O-CG2 3.29Å; T241-V245 WeakPolarHBondContact O-CG2 3.46Å; T241-V245 PolarHBondContact O-N 2.82Å; T241-F272 WeakPolarHBondContact OG1-CE2 3.32Å
242L93.5Very high93.4Very high11 Ų1148.6 Ų48.66%0.05824%0.237CC..Hα-helixtrans-66.7-42.8-178.7-166.3141.7000111.4L159 L161 L167 L205 K238 V239 A240 V245 V246L159-L242 HydrophobicContact CB-CD1 4.04Å; L159-L242 HydrophobicContact CB-CG 4.31Å; L159-L242 HydrophobicContact CD1-CG 4.09Å; L161-L242 HydrophobicContact CD2-CD1 3.54Å; L161-L242 HydrophobicContact CD2-CD2 3.49Å; L161-L242 VanDerWaalsContact CD2-CD2 3.49Å; L161-L242 HydrophobicContact CD2-CG 4.17Å; L161-L242 HydrophobicContact CG-CD1 4.32Å; L167-L242 HydrophobicContact CD1-CD2 4.11Å; L167-L242 HydrophobicContact CD2-CD2 3.59Å; L167-L242 HydrophobicContact CG-CD2 3.98Å; L205-L242 HydrophobicContact CD1-CB 4.46Å; L205-L242 HydrophobicContact CD1-CD2 3.87Å; L205-L242 HydrophobicContact CD2-CD2 3.89Å; L205-L242 HydrophobicContact CG-CD2 4.15Å; K238-L242 PolarHBondContact O-N 2.86Å; K238-L242 VanDerWaalsContact O-N 3.07Å; V239-L242 PolarHBondContact O-N 3.33Å; A240-L242 VanDerWaalsContact C-N 3.3Å; A240-L242 PolarHBondContact O-N 3.31Å; L242-V245 PolarHBondContact O-N 3.43Å; L242-V246 HydrophobicContact CD2-CG2 4.3Å; L242-V246 VanDerWaalsContact O-CG2 3.27Å; L242-V246 WeakPolarHBondContact O-CG2 3.1Å; L242-V246 PolarHBondContact O-N 2.95Å
243I95.9Very high93.4Very high0 Ų048.8 Ų48.80%024%0.239CC..Hα-helixtrans-58.8-51.8173.7-72.6169.2000110.7V203 L205 A216 L228 V239 A240 V245 V246 L247V203-I243 HydrophobicContact CG1-CB 4.27Å; V203-I243 HydrophobicContact CG1-CG2 3.65Å; V203-I243 WeakPolarHBondContact CG1-O 3.39Å; L205-I243 HydrophobicContact CD1-CD1 4.26Å; L205-I243 HydrophobicContact CD1-CG1 3.98Å; L205-I243 HydrophobicContact CG-CD1 4.48Å; L205-I243 HydrophobicContact CG-CG1 4.11Å; A216-I243 HydrophobicContact CB-CG2 3.41Å; A216-I243 VanDerWaalsContact CB-CG2 3.41Å; L228-I243 HydrophobicContact CD1-CB 4.17Å; L228-I243 HydrophobicContact CD1-CG2 3.59Å; V239-I243 HydrophobicContact CG1-CD1 3.76Å; V239-I243 WeakPolarHBondContact O-CG1 3.41Å; V239-I243 PolarHBondContact O-N 2.79Å; A240-I243 PolarHBondContact O-N 3.43Å; I243-V245 PolarHBondContact O-N 3.18Å; I243-V246 PolarHBondContact O-N 3.04Å; I243-L247 WeakPolarHBondContact O-CB 3.49Å; I243-L247 PolarHBondContact O-N 2.82Å
244E95Very high93.3Very high8 Ų848 Ų484%0.03723%0.233CC..Hα-helixtrans-58.6-46.9179.3-76.4-167.7149.100112.1L228 A240 T241 V246 L247 A248 K260 F272 W279L228-E244 HydrophobicContact CD1-CG 4.18Å; L228-E244 HydrophobicContact CD2-CG 3.67Å; L228-E244 WeakPolarHBondContact CD2-OE1 3.42Å; A240-E244 PolarHBondContact O-N 2.78Å; T241-E244 PolarHBondContact O-N 3.2Å; E244-V246 VanDerWaalsContact C-N 3.34Å; E244-V246 PolarHBondContact O-N 3.5Å; E244-L247 PolarHBondContact O-N 3.37Å; E244-A248 VanDerWaalsContact O-CB 3.24Å; E244-A248 WeakPolarHBondContact O-CB 3.18Å; E244-A248 PolarHBondContact O-N 3.36Å; E244-K260 IonicContact OE1-NZ 3.92Å; E244-K260 PolarHBondContact OE1-NZ 3.48Å; E244-K260 IonicContact OE2-NZ 3.21Å; E244-F272 VanDerWaalsContact CD-CE1 3.45Å; E244-F272 HydrophobicContact CG-CE1 4.44Å; E244-F272 WeakPolarHBondContact OE2-CE1 3.3Å; E244-F272 WeakPolarHBondContact OE2-CZ 3.49Å; E244-W279 VanDerWaalsContact CD-NE1 3.31Å; E244-W279 PolarHBondContact OE1-NE1 3.24Å; E244-W279 PolarHBondContact OE2-NE1 2.72Å
245V94.5Very high93.2Very high5 Ų551.5 Ų51.53%0.0325%0.254CS..Hα-helixtrans-63.3-42.8-179.21740000111.1L154 L157 L159 T241 L242 I243 A248 K249 L278L154-V245 HydrophobicContact CD2-CG1 3.99Å; L157-V245 HydrophobicContact CD2-CG1 3.84Å; L157-V245 HydrophobicContact CD2-CG2 4.37Å; L159-V245 HydrophobicContact CD1-CB 3.85Å; L159-V245 HydrophobicContact CD1-CG1 3.57Å; L159-V245 HydrophobicContact CD2-CB 4.41Å; L159-V245 HydrophobicContact CD2-CG1 4.11Å; L159-V245 HydrophobicContact CG-CG1 4.21Å; T241-V245 HydrophobicContact CG2-CG2 4.4Å; T241-V245 VanDerWaalsContact O-CG2 3.29Å; T241-V245 WeakPolarHBondContact O-CG2 3.46Å; T241-V245 PolarHBondContact O-N 2.82Å; L242-V245 PolarHBondContact O-N 3.43Å; I243-V245 PolarHBondContact O-N 3.18Å; V245-A248 PolarHBondContact O-N 2.87Å; V245-K249 WeakPolarHBondContact O-CG 3.44Å; V245-K249 PolarHBondContact O-N 3.48Å; V245-L278 HydrophobicContact CG2-CD1 3.99Å
246V95.9Very high93.4Very high20 Ų2046.6 Ų46.612%0.12124%0.236CC..Hα-helixtrans-66.8-39.8178.5175.80000110.9L159 L167 V203 L242 I243 E244 K249 K250L159-V246 HydrophobicContact CD1-CG2 3.58Å; L167-V246 HydrophobicContact CD1-CG2 3.83Å; L167-V246 HydrophobicContact CD2-CB 4.38Å; L167-V246 HydrophobicContact CD2-CG1 4.29Å; L167-V246 HydrophobicContact CD2-CG2 3.95Å; V203-V246 HydrophobicContact CB-CG1 4.32Å; V203-V246 HydrophobicContact CG2-CB 4.12Å; V203-V246 HydrophobicContact CG2-CG1 3.66Å; L242-V246 HydrophobicContact CD2-CG2 4.3Å; L242-V246 VanDerWaalsContact O-CG2 3.27Å; L242-V246 WeakPolarHBondContact O-CG2 3.1Å; L242-V246 PolarHBondContact O-N 2.95Å; I243-V246 PolarHBondContact O-N 3.04Å; E244-V246 VanDerWaalsContact C-N 3.34Å; E244-V246 PolarHBondContact O-N 3.5Å; V246-K249 WeakPolarHBondContact O-CB 3.47Å; V246-K249 PolarHBondContact O-N 2.84Å; V246-K250 WeakPolarHBondContact O-CG 3.41Å; V246-K250 PolarHBondContact O-N 3.37Å
247L96.7Very high93.9Very high0 Ų037.8 Ų37.80%020%0.195CC..Hα-helixtrans-66.1-44.5176.9-166.159.1000111.4P201 V203 A216 V218 E225 I243 E244 K249 K250 I251P201-L247 HydrophobicContact CB-CD1 4.21Å; V203-L247 HydrophobicContact CG1-CB 3.86Å; V203-L247 HydrophobicContact CG1-CD1 4.26Å; A216-L247 HydrophobicContact CB-CD2 3.61Å; V218-L247 HydrophobicContact CG2-CD1 3.94Å; V218-L247 HydrophobicContact CG2-CD2 4.3Å; V218-L247 HydrophobicContact CG2-CG 4.13Å; E225-L247 HydrophobicContact CB-CD2 4.14Å; E225-L247 HydrophobicContact CG-CD2 3.73Å; E225-L247 HydrophobicContact CG-CG 4.19Å; I243-L247 WeakPolarHBondContact O-CB 3.49Å; I243-L247 PolarHBondContact O-N 2.82Å; E244-L247 PolarHBondContact O-N 3.37Å; L247-K249 VanDerWaalsContact C-N 3.32Å; L247-K249 PolarHBondContact O-N 2.77Å; L247-K250 CarbonylContact O-C 3.6Å; L247-K250 WeakPolarHBondContact O-CA 3.44Å; L247-K250 WeakPolarHBondContact O-CB 3.36Å; L247-K250 PolarHBondContact O-N 3.13Å; L247-I251 HydrophobicContact CG-CD1 4.34Å; L247-I251 WeakPolarHBondContact O-CG1 3.12Å; L247-I251 PolarHBondContact O-N 2.96Å
248A96.2Very high94.5Very high0 Ų035.1 Ų35.10%018%0.183CC..Hα-helixtrans-56.4-44174.100000111.8I146 E244 V245 K250 I251 I252 P258I146-A248 HydrophobicContact CD1-CB 3.88Å; E244-A248 VanDerWaalsContact O-CB 3.24Å; E244-A248 WeakPolarHBondContact O-CB 3.18Å; E244-A248 PolarHBondContact O-N 3.36Å; V245-A248 PolarHBondContact O-N 2.87Å; A248-K250 VanDerWaalsContact C-N 3.33Å; A248-K250 PolarHBondContact O-N 3.15Å; A248-I251 PolarHBondContact O-N 3Å; A248-I252 WeakPolarHBondContact O-CD1 3Å; A248-I252 VanDerWaalsContact O-CG1 3.26Å; A248-I252 WeakPolarHBondContact O-CG1 3.49Å; A248-I252 PolarHBondContact O-N 2.77Å; A248-P258 HydrophobicContact CB-CB 3.92Å; A248-P258 HydrophobicContact CB-CG 3.73Å
249K95.7Very high94.9Very high56 Ų5626.9 Ų26.924%0.24315%0.147CC..Hα-helixtrans-57.5-44.3172.4-75.8176.4170.3-168.70111.9L154 L157 V245 V246 L247 I252 S253L154-K249 WeakPolarHBondContact O-CE 3.32Å; L157-K249 PolarHBondContact O-NZ 2.86Å; V245-K249 WeakPolarHBondContact O-CG 3.44Å; V245-K249 PolarHBondContact O-N 3.48Å; V246-K249 WeakPolarHBondContact O-CB 3.47Å; V246-K249 PolarHBondContact O-N 2.84Å; L247-K249 VanDerWaalsContact C-N 3.32Å; L247-K249 PolarHBondContact O-N 2.77Å; K249-I252 PolarHBondContact O-N 2.95Å; K249-S253 WeakPolarHBondContact O-CB 3.42Å; K249-S253 PolarHBondContact O-N 3.15Å
250K95.1Very high95Very high48 Ų4827.2 Ų27.221%0.20915%0.148CC..Hα-helixtrans-62.6-42.7176.8-69.3-173.6179.6-169.60111.3E169 P201 N202 V246 L247 A248 S253 K254E169-K250 IonicContact OE1-NZ 2.61Å; E169-K250 PolarHBondContact OE1-NZ 3.31Å; P201-K250 HydrophobicContact CB-CB 4Å; P201-K250 HydrophobicContact CB-CD 4.3Å; N202-K250 PolarHBondContact O-NZ 3.42Å; V246-K250 WeakPolarHBondContact O-CG 3.41Å; V246-K250 PolarHBondContact O-N 3.37Å; L247-K250 CarbonylContact O-C 3.6Å; L247-K250 WeakPolarHBondContact O-CA 3.44Å; L247-K250 WeakPolarHBondContact O-CB 3.36Å; L247-K250 PolarHBondContact O-N 3.13Å; A248-K250 VanDerWaalsContact C-N 3.33Å; A248-K250 PolarHBondContact O-N 3.15Å; K250-S253 PolarHBondContact O-N 3.19Å; K250-S253 PolarHBondContact O-OG 3.23Å; K250-K254 WeakPolarHBondContact O-CG 3.49Å; K250-K254 PolarHBondContact O-N 3.49Å
251I95.3Very high95.1Very high0 Ų027.3 Ų27.30%015%0.147CC..Hα-helixtrans-61.2-48.2176.4-65.7166.8000110.9V218 E225 L247 A248 S253 K254 C256 P258V218-I251 HydrophobicContact CG2-CD1 3.77Å; V218-I251 HydrophobicContact CG2-CG1 3.65Å; E225-I251 HydrophobicContact CG-CD1 3.56Å; L247-I251 HydrophobicContact CG-CD1 4.34Å; L247-I251 WeakPolarHBondContact O-CG1 3.12Å; L247-I251 PolarHBondContact O-N 2.96Å; A248-I251 PolarHBondContact O-N 3Å; I251-S253 VanDerWaalsContact C-N 3.3Å; I251-S253 PolarHBondContact O-N 2.84Å; I251-K254 WeakPolarHBondContact O-CA 3.46Å; I251-K254 WeakPolarHBondContact O-CB 3.44Å; I251-K254 PolarHBondContact O-N 2.98Å; I251-C256 HydrophobicContact CG2-CB 3.49Å; I251-C256 VanDerWaalsContact CG2-CB 3.49Å; I251-C256 WeakPolarHBondContact O-CB 2.95Å; I251-C256 PolarHBondContact O-N 3.45Å; I251-P258 HydrophobicContact CB-CG 4.2Å; I251-P258 HydrophobicContact CD1-CB 4.22Å; I251-P258 HydrophobicContact CG2-CB 4.48Å; I251-P258 HydrophobicContact CG2-CG 4.1Å
252I94.8Very high95.3Very high19 Ų1924.8 Ų24.810%0.09713%0.131CC..Hα-helixtrans-60-41.4177.9-67.5162.6000110.7N151 L154 T155 A248 K249 K254 N255 P258N151-I252 HydrophobicContact CB-CG2 4.41Å; N151-I252 WeakPolarHBondContact OD1-CD1 3.38Å; L154-I252 HydrophobicContact CB-CD1 4.29Å; L154-I252 HydrophobicContact CD1-CD1 3.83Å; T155-I252 HydrophobicContact CG2-CG2 4.43Å; A248-I252 WeakPolarHBondContact O-CD1 3Å; A248-I252 VanDerWaalsContact O-CG1 3.26Å; A248-I252 WeakPolarHBondContact O-CG1 3.49Å; A248-I252 PolarHBondContact O-N 2.77Å; K249-I252 PolarHBondContact O-N 2.95Å; I252-K254 PolarHBondContact O-N 3.38Å; I252-K254 VanDerWaalsContact O-N 3.08Å; I252-N255 WeakPolarHBondContact O-CA 3.29Å; I252-N255 PolarHBondContact O-N 2.85Å; I252-P258 HydrophobicContact CD1-CG 4.07Å; I252-P258 HydrophobicContact CG1-CG 3.83Å
253S92.6Very high95.3Very high84 Ų8425.1 Ų25.159%0.58713%0.134SC*.Hα-helixtrans-61.5-18.7177.380.50000113.8K249 K250 I251K249-S253 WeakPolarHBondContact O-CB 3.42Å; K249-S253 PolarHBondContact O-N 3.15Å; K250-S253 PolarHBondContact O-N 3.19Å; K250-S253 PolarHBondContact O-OG 3.23Å; I251-S253 VanDerWaalsContact C-N 3.3Å; I251-S253 PolarHBondContact O-N 2.84Å
254K91.6Very high95.1Very high101 Ų10127.3 Ų27.344%0.43915%0.148SC..THydrogen-bonded Turntrans-9513.1174-58.7-63.1-177.7179.10112.8Y32 N35 K250 I251 I252 C256Y32-K254 HydrophobicContact CE1-CB 4.19Å; Y32-K254 HydrophobicContact CE1-CG 4.24Å; N35-K254 PolarHBondContact ND2-O 3.34Å; K250-K254 WeakPolarHBondContact O-CG 3.49Å; K250-K254 PolarHBondContact O-N 3.49Å; I251-K254 WeakPolarHBondContact O-CA 3.46Å; I251-K254 WeakPolarHBondContact O-CB 3.44Å; I251-K254 PolarHBondContact O-N 2.98Å; I252-K254 PolarHBondContact O-N 3.38Å; I252-K254 VanDerWaalsContact O-N 3.08Å; K254-C256 PolarHBondContact O-N 3.06Å
255N93.1Very high95Very high112 Ų11233.6 Ų33.660%0.59918%0.177SC*.THydrogen-bonded Turntrans60.119.7-174.6-57.9-56.2000114.4Y27 T31 I252Y27-N255 PolarHBondContact OH-O 3.31Å; T31-N255 HydrophobicContact CG2-CB 4.17Å; I252-N255 WeakPolarHBondContact O-CA 3.29Å; I252-N255 PolarHBondContact O-N 2.85Å
256C95Very high94.9Very high4 Ų436.8 Ų36.83%0.02719%0.194CC..  trans-95.8167.6175.6-66.50000110.4N28 Y32 I251 K254N28-C256 HydrophobicContact CB-CB 4.45Å; N28-C256 WeakPolarHBondContact OD1-CA 3.34Å; N28-C256 WeakPolarHBondContact OD1-CB 3.22Å; Y32-C256 VanDerWaalsContact CD2-SG 3.54Å; Y32-C256 HydrophobicContact CE2-CB 4.23Å; Y32-C256 WeakPolarHBondContact CE2-SG 3.24Å; I251-C256 HydrophobicContact CG2-CB 3.49Å; I251-C256 VanDerWaalsContact CG2-CB 3.49Å; I251-C256 WeakPolarHBondContact O-CB 2.95Å; I251-C256 PolarHBondContact O-N 3.45Å; K254-C256 PolarHBondContact O-N 3.06Å
257I96.8Very high94.7Very high10 Ų1045.9 Ų45.95%0.05123%0.226CC..  trans-109.8122.3-179.3-60.6172.8000108.8L20 V24 Y27 N28 W145 I146 P148 Y259L20-I257 HydrophobicContact CD1-CD1 3.42Å; L20-I257 VanDerWaalsContact CD1-CD1 3.42Å; L20-I257 HydrophobicContact CD2-CD1 3.92Å; L20-I257 HydrophobicContact CG-CD1 4.34Å; V24-I257 HydrophobicContact CG2-CB 3.77Å; V24-I257 HydrophobicContact CG2-CG2 3.83Å; Y27-I257 HydrophobicContact CD1-CD1 3.88Å; Y27-I257 HydrophobicContact CD1-CG1 4.15Å; Y27-I257 HydrophobicContact CE1-CD1 3.87Å; Y27-I257 HydrophobicContact CE1-CG1 3.9Å; N28-I257 PolarHBondContact ND2-O 3.01Å; N28-I257 PolarHBondContact OD1-N 3.22Å; W145-I257 HydrophobicContact CE3-CG2 3.76Å; W145-I257 HydrophobicContact CZ3-CG2 4.27Å; I146-I257 WeakPolarHBondContact O-CG2 3.46Å; P148-I257 HydrophobicContact CG-CD1 4.11Å; P148-I257 HydrophobicContact CG-CG1 4.38Å; I257-Y259 PolarHBondContact O-N 2.88Å
258P97.3Very high94.5Very high0 Ų051.9 Ų51.90%026%0.258CS..  trans-61.4127.4177.3-18.829.9000111W145 I146 A248 I251 I252 W279W145-P258 CarbonylContact C-O 3.53Å; W145-P258 WeakPolarHBondContact CA-O 3.48Å; I146-P258 HydrophobicContact CB-CB 4.07Å; I146-P258 HydrophobicContact CB-CG 4.25Å; I146-P258 HydrophobicContact CD1-CB 3.97Å; I146-P258 HydrophobicContact CD1-CG 4.36Å; I146-P258 HydrophobicContact CG1-CB 4.16Å; I146-P258 PolarHBondContact N-O 3.09Å; A248-P258 HydrophobicContact CB-CB 3.92Å; A248-P258 HydrophobicContact CB-CG 3.73Å; I251-P258 HydrophobicContact CB-CG 4.2Å; I251-P258 HydrophobicContact CD1-CB 4.22Å; I251-P258 HydrophobicContact CG2-CB 4.48Å; I251-P258 HydrophobicContact CG2-CG 4.1Å; I252-P258 HydrophobicContact CD1-CG 4.07Å; I252-P258 HydrophobicContact CG1-CG 3.83Å; P258-W279 HydrophobicContact CB-CH2 4.11Å; P258-W279 HydrophobicContact CB-CZ3 4.43Å
259Y97.6Very high94.3Very high0 Ų053.2 Ų53.20%027%0.269CS..EExtended strand (participates in β ladder)trans-149.2160.1173.290.5-77.5000110V24 A25 L143 F144 M222 S223 D224 E225 I257V24-Y259 HydrophobicContact CB-CG 4.45Å; V24-Y259 HydrophobicContact CG1-CD1 3.91Å; V24-Y259 HydrophobicContact CG1-CD2 3.57Å; V24-Y259 HydrophobicContact CG1-CE1 4.3Å; V24-Y259 HydrophobicContact CG1-CE2 4.01Å; V24-Y259 HydrophobicContact CG1-CG 3.51Å; V24-Y259 HydrophobicContact CG2-CD1 3.93Å; V24-Y259 HydrophobicContact CG2-CG 4.07Å; A25-Y259 HydrophobicContact CB-CE1 4.34Å; A25-Y259 HydrophobicContact CB-CE2 4.26Å; A25-Y259 WeakPolarHBondContact CB-OH 3.36Å; L143-Y259 HydrophobicContact CD2-CD2 4.27Å; L143-Y259 HydrophobicContact CD2-CE2 4.13Å; F144-Y259 CarbonylContact O-C 3.54Å; F144-Y259 WeakPolarHBondContact O-CA 3.44Å; F144-Y259 VanDerWaalsContact O-CB 3.29Å; F144-Y259 WeakPolarHBondContact O-CB 3.43Å; M222-Y259 WeakPolarHBondContact CA-OH 3.49Å; M222-Y259 VanDerWaalsContact CB-OH 3.31Å; M222-Y259 WeakPolarHBondContact CB-OH 3.42Å; M222-Y259 WeakPolarHBondContact O-CE1 3.43Å; M222-Y259 PolarHBondContact O-OH 3.36Å; S223-Y259 VanDerWaalsContact C-CE1 3.49Å; S223-Y259 WeakPolarHBondContact O-CE1 3.43Å; D224-Y259 CarbonylContact C-O 3.44Å; D224-Y259 VanDerWaalsContact CA-O 3.28Å; D224-Y259 WeakPolarHBondContact CA-O 3.38Å; D224-Y259 HydrophobicContact CB-CD1 4.09Å; D224-Y259 HydrophobicContact CB-CD2 4.08Å; D224-Y259 HydrophobicContact CB-CE1 3.68Å; D224-Y259 HydrophobicContact CB-CE2 3.67Å; D224-Y259 HydrophobicContact CB-CG 4.28Å; D224-Y259 VanDerWaalsContact CB-CZ 3.45Å; D224-Y259 WeakPolarHBondContact CB-O 3.44Å; E225-Y259 PolarHBondContact N-O 3.49Å; I257-Y259 PolarHBondContact O-N 2.88Å
260K96.9Very high94.2Very high10 Ų1051.8 Ų51.84%0.04327%0.268CS..EExtended strand (participates in β ladder)trans-150.3151.9-178.868.3-175.2-174.9-173.40112.8F144 E225 E244 V262 T273 W279F144-K260 HydrophobicContact CB-CG 4.17Å; F144-K260 PolarHBondContact N-O 3.36Å; F144-K260 PolarHBondContact O-N 3.07Å; E225-K260 HydrophobicContact CB-CB 4.16Å; E244-K260 IonicContact OE1-NZ 3.92Å; E244-K260 PolarHBondContact OE1-NZ 3.48Å; E244-K260 IonicContact OE2-NZ 3.21Å; K260-V262 HydrophobicContact CD-CG2 4.34Å; K260-V262 HydrophobicContact CG-CG2 4.19Å; K260-T273 WeakPolarHBondContact CE-OG1 3.48Å; K260-T273 PolarHBondContact NZ-OG1 3.07Å; K260-W279 HydrophobicContact CB-CH2 4.46Å; K260-W279 HydrophobicContact CD-CD2 4.13Å; K260-W279 HydrophobicContact CD-CE3 4.28Å; K260-W279 HydrophobicContact CD-CH2 4Å; K260-W279 HydrophobicContact CD-CZ2 3.81Å; K260-W279 HydrophobicContact CD-CZ3 4.23Å; K260-W279 HydrophobicContact CG-CE3 4.24Å; K260-W279 HydrophobicContact CG-CH2 4.19Å; K260-W279 HydrophobicContact CG-CZ2 4.48Å; K260-W279 HydrophobicContact CG-CZ3 4.06Å; K260-W279 VanDerWaalsContact NZ-CD1 3.29Å
261C95.5Very high94.2Very high25 Ų2555.8 Ų55.817%0.16929%0.285CS..EExtended strand (participates in β ladder)trans-99.9128.7172.8-53.80000109.4T141 D224T141-C261 HydrophobicContact CG2-CB 4.13Å; D224-C261 PolarHBondContact OD2-SG 2.97Å
262V95.5Very high94.1Very high7 Ų758.7 Ų58.74%0.04230%0.298CS..EExtended strand (participates in β ladder)trans-121.3117.7179.8-177.50000109.7T141 D142 F144 K260 P264 A269 A270 T273T141-V262 WeakPolarHBondContact CA-O 3.41Å; D142-V262 PolarHBondContact N-O 3.16Å; D142-V262 PolarHBondContact O-N 2.91Å; F144-V262 HydrophobicContact CD2-CB 4.27Å; F144-V262 HydrophobicContact CD2-CG2 3.84Å; F144-V262 HydrophobicContact CE2-CB 4.06Å; F144-V262 HydrophobicContact CE2-CG2 4.05Å; K260-V262 HydrophobicContact CD-CG2 4.34Å; K260-V262 HydrophobicContact CG-CG2 4.19Å; V262-P264 WeakPolarHBondContact O-CD 3.4Å; V262-A269 HydrophobicContact CG1-CB 4.09Å; V262-A270 HydrophobicContact CG1-CB 4.17Å; V262-T273 HydrophobicContact CG2-CG2 4.41Å
263V94.2Very high94.2Very high19 Ų1957.9 Ų57.912%0.11529%0.294CS..  trans-67.2120.6172.2-1780000108.9S139 T141 Y184 Q265 N266S139-V263 VanDerWaalsContact OG-CG2 3.31Å; S139-V263 WeakPolarHBondContact OG-CG2 3.49Å; T141-V263 HydrophobicContact CG2-CG2 3.71Å; Y184-V263 HydrophobicContact CE2-CG2 4.38Å; V263-Q265 HydrophobicContact CG1-CB 4.2Å; V263-Q265 PolarHBondContact O-N 3.25Å; V263-Q265 VanDerWaalsContact O-N 3.15Å; V263-N266 HydrophobicContact CB-CB 4.47Å; V263-N266 WeakPolarHBondContact O-CB 3.45Å; V263-N266 PolarHBondContact O-N 3.21Å
264P92.2Very high94.2Very high46 Ų4657.9 Ų57.930%0.29929%0.294SS..THydrogen-bonded Turntrans-59-30.6-176.3-26.234.6000113.6I140 V262 N266I140-P264 WeakPolarHBondContact O-CD 3.18Å; V262-P264 WeakPolarHBondContact O-CD 3.4Å; P264-N266 PolarHBondContact O-N 3.32Å
265Q92Very high94.3Very high139 Ų13960.3 Ų60.365%0.6530%0.304SS*.THydrogen-bonded Turntrans-67.9-22.2177.2-63.874.217.400112.1V263 R267V263-Q265 HydrophobicContact CG1-CB 4.2Å; V263-Q265 PolarHBondContact O-N 3.25Å; V263-Q265 VanDerWaalsContact O-N 3.15Å; Q265-R267 PolarHBondContact O-N 2.95Å
266N92.4Very high94.2Very high72 Ų7256.6 Ų56.639%0.38529%0.287SS..  trans-77.774169-170.6-16000110.2V263 P264 L268 A269 A270V263-N266 HydrophobicContact CB-CB 4.47Å; V263-N266 WeakPolarHBondContact O-CB 3.45Å; V263-N266 PolarHBondContact O-N 3.21Å; P264-N266 PolarHBondContact O-N 3.32Å; N266-L268 PolarHBondContact O-N 3.11Å; N266-A269 HydrophobicContact CB-CB 4.18Å; N266-A269 PolarHBondContact O-N 3.21Å; N266-A269 PolarHBondContact OD1-N 3.33Å; N266-A270 PolarHBondContact O-N 3.13Å
267R92.8Very high94Very high211 Ų21162.2 Ų62.280%0.79632%0.321SS*.Hα-helixtrans-54.1-31.9-175.4-64.4-175.9-179.6-177.50.2113.5Q265 K271Q265-R267 PolarHBondContact O-N 2.95Å; R267-K271 WeakPolarHBondContact O-CB 3.25Å; R267-K271 PolarHBondContact O-N 2.96Å
268L91.1Very high93.9Very high126 Ų12662.5 Ų62.566%0.6632%0.323SS*.Hα-helixtrans-68.1-51.2177.2-70.3176.8000111N266 F272N266-L268 PolarHBondContact O-N 3.11Å; L268-F272 WeakPolarHBondContact O-CB 3.46Å; L268-F272 PolarHBondContact O-N 3.34Å
269A93.1Very high93.9Very high29 Ų2963.1 Ų63.124%0.2433%0.325CS..Hα-helixtrans-64.9-41.117800000112V262 N266 F272 T273V262-A269 HydrophobicContact CG1-CB 4.09Å; N266-A269 HydrophobicContact CB-CB 4.18Å; N266-A269 PolarHBondContact O-N 3.21Å; N266-A269 PolarHBondContact OD1-N 3.33Å; A269-F272 PolarHBondContact O-N 3.03Å; A269-T273 VanDerWaalsContact O-CB 3.29Å; A269-T273 WeakPolarHBondContact O-CB 3.48Å; A269-T273 PolarHBondContact O-N 3.43Å; A269-T273 PolarHBondContact O-OG1 3.18Å
270A94Very high93.8Very high26 Ų2666.7 Ų66.722%0.21534%0.34CS..Hα-helixtrans-61.4-49.317700000111.8V262 N266 F272 T273 S274V262-A270 HydrophobicContact CG1-CB 4.17Å; N266-A270 PolarHBondContact O-N 3.13Å; A270-F272 PolarHBondContact O-N 3.47Å; A270-T273 PolarHBondContact O-N 3.27Å; A270-S274 WeakPolarHBondContact O-CB 3.29Å; A270-S274 PolarHBondContact O-N 2.85Å; A270-S274 PolarHBondContact O-OG 2.85Å; A270-S274 VanDerWaalsContact O-OG 3.13Å
271K94.1Very high93.8Very high131 Ų13169.7 Ų69.757%0.5736%0.363SS*.Hα-helixtrans-66.2-37177.4-176.5177.8-178.5178.20112.8R267 S274 K275R267-K271 WeakPolarHBondContact O-CB 3.25Å; R267-K271 PolarHBondContact O-N 2.96Å; K271-S274 PolarHBondContact O-OG 3.04Å; K271-K275 HydrophobicContact CG-CD 4.38Å; K271-K275 WeakPolarHBondContact O-CB 3.47Å; K271-K275 VanDerWaalsContact O-CG 3.29Å; K271-K275 WeakPolarHBondContact O-CG 3.47Å; K271-K275 PolarHBondContact O-N 2.9Å
272F93.7Very high93.8Very high62 Ų6269.3 Ų69.327%0.27236%0.359SS..Hα-helixtrans-64.9-46.6176.8169.3-107.8000110.9L228 A240 T241 E244 L268 A269 A270 K275 S276L228-F272 HydrophobicContact CD2-CD1 4.47Å; L228-F272 HydrophobicContact CD2-CE1 3.91Å; A240-F272 HydrophobicContact CB-CE1 4.37Å; A240-F272 HydrophobicContact CB-CE2 4.37Å; A240-F272 HydrophobicContact CB-CZ 3.98Å; T241-F272 WeakPolarHBondContact OG1-CE2 3.32Å; E244-F272 VanDerWaalsContact CD-CE1 3.45Å; E244-F272 HydrophobicContact CG-CE1 4.44Å; E244-F272 WeakPolarHBondContact OE2-CE1 3.3Å; E244-F272 WeakPolarHBondContact OE2-CZ 3.49Å; L268-F272 WeakPolarHBondContact O-CB 3.46Å; L268-F272 PolarHBondContact O-N 3.34Å; A269-F272 PolarHBondContact O-N 3.03Å; A270-F272 PolarHBondContact O-N 3.47Å; F272-K275 PolarHBondContact O-N 3.44Å; F272-S276 PolarHBondContact O-N 3.29Å
273T95.7Very high93.7Very high2 Ų276.2 Ų76.21%0.01240%0.395CS..Hα-helixtrans-65.9-47.3-179.9-58.10000112F144 K260 V262 A269 A270 K275 S276 W279F144-T273 HydrophobicContact CB-CG2 4.02Å; F144-T273 HydrophobicContact CD1-CG2 3.49Å; F144-T273 VanDerWaalsContact CD1-CG2 3.49Å; F144-T273 HydrophobicContact CD2-CG2 3.7Å; F144-T273 HydrophobicContact CE1-CG2 3.8Å; F144-T273 HydrophobicContact CE2-CG2 3.99Å; F144-T273 HydrophobicContact CG-CG2 3.44Å; F144-T273 VanDerWaalsContact CG-CG2 3.44Å; F144-T273 HydrophobicContact CZ-CG2 4.04Å; K260-T273 WeakPolarHBondContact CE-OG1 3.48Å; K260-T273 PolarHBondContact NZ-OG1 3.07Å; V262-T273 HydrophobicContact CG2-CG2 4.41Å; A269-T273 VanDerWaalsContact O-CB 3.29Å; A269-T273 WeakPolarHBondContact O-CB 3.48Å; A269-T273 PolarHBondContact O-N 3.43Å; A269-T273 PolarHBondContact O-OG1 3.18Å; A270-T273 PolarHBondContact O-N 3.27Å; T273-K275 PolarHBondContact O-N 2.82Å; T273-K275 VanDerWaalsContact O-N 3.16Å; T273-S276 VanDerWaalsContact O-CB 3.29Å; T273-S276 WeakPolarHBondContact O-CB 3.25Å; T273-S276 PolarHBondContact O-N 3.44Å; T273-W279 HydrophobicContact CG2-CB 3.86Å; T273-W279 HydrophobicContact CG2-CG 4.11Å
274S92.6Very high93.6Very high84 Ų8475.9 Ų75.959%0.58739%0.393SS*.Hα-helixtrans-65.9-18.7-178.3650000114.4A270 K271A270-S274 WeakPolarHBondContact O-CB 3.29Å; A270-S274 PolarHBondContact O-N 2.85Å; A270-S274 PolarHBondContact O-OG 2.85Å; A270-S274 VanDerWaalsContact O-OG 3.13Å; K271-S274 PolarHBondContact O-OG 3.04Å
275K93.7Very high93.7Very high152 Ų15276.2 Ų76.266%0.66140%0.396SS*.THydrogen-bonded Turntrans-90.8-8.9174.5-73.2-175172.9-154.20113.8K271 F272 T273K271-K275 HydrophobicContact CG-CD 4.38Å; K271-K275 WeakPolarHBondContact O-CB 3.47Å; K271-K275 VanDerWaalsContact O-CG 3.29Å; K271-K275 WeakPolarHBondContact O-CG 3.47Å; K271-K275 PolarHBondContact O-N 2.9Å; F272-K275 PolarHBondContact O-N 3.44Å; T273-K275 PolarHBondContact O-N 2.82Å; T273-K275 VanDerWaalsContact O-N 3.16Å
276S92.5Very high93.9Very high33 Ų3369.6 Ų69.623%0.23137%0.365CS..  trans-70.5137.5177.7-179.20000110.1F272 T273 L278 W279F272-S276 PolarHBondContact O-N 3.29Å; T273-S276 VanDerWaalsContact O-CB 3.29Å; T273-S276 WeakPolarHBondContact O-CB 3.25Å; T273-S276 PolarHBondContact O-N 3.44Å; S276-L278 PolarHBondContact O-N 3.28Å; S276-L278 PolarHBondContact OG-N 2.83Å; S276-L278 VanDerWaalsContact OG-N 3.12Å; S276-W279 PolarHBondContact OG-N 2.9Å
277V91.2Very high94Very high122 Ų12266.6 Ų66.674%0.73935%0.348SS*.SBendtrans-77-11.9171.1-61.50000112.6
278L93.9Very high94Very high17 Ų1759.5 Ų59.59%0.08932%0.322CS..SBendtrans-94.3-45.8-177.2-56.5172.9000111.9I146 M153 L154 V245 S276 K280I146-L278 HydrophobicContact CD1-CB 4.21Å; I146-L278 HydrophobicContact CG1-CB 4.3Å; M153-L278 HydrophobicContact CE-CD2 3.22Å; L154-L278 HydrophobicContact CD2-CD1 3.84Å; L154-L278 HydrophobicContact CD2-CD2 4.11Å; L154-L278 HydrophobicContact CG-CD2 4.45Å; V245-L278 HydrophobicContact CG2-CD1 3.99Å; S276-L278 PolarHBondContact O-N 3.28Å; S276-L278 PolarHBondContact OG-N 2.83Å; S276-L278 VanDerWaalsContact OG-N 3.12Å; L278-K280 PolarHBondContact O-N 2.72Å
279W96.2Very high94.2Very high13 Ų1353.6 Ų53.65%0.04929%0.291CS..  trans-78.4114.4-173.8-67.3115.7000110.4F144 I146 E225 E244 P258 K260 T273 S276F144-W279 HydrophobicContact CB-CB 4.33Å; F144-W279 HydrophobicContact CB-CE3 4.07Å; F144-W279 HydrophobicContact CD1-CB 4.48Å; I146-W279 HydrophobicContact CD1-CD2 4.32Å; I146-W279 HydrophobicContact CD1-CE3 4.32Å; I146-W279 HydrophobicContact CD1-CH2 3.96Å; I146-W279 HydrophobicContact CD1-CZ2 3.97Å; I146-W279 HydrophobicContact CD1-CZ3 4.13Å; I146-W279 HydrophobicContact CG1-CD2 3.95Å; I146-W279 HydrophobicContact CG1-CE3 3.62Å; I146-W279 HydrophobicContact CG1-CH2 4Å; I146-W279 HydrophobicContact CG1-CZ2 4.32Å; I146-W279 HydrophobicContact CG1-CZ3 3.63Å; E225-W279 HydrophobicContact CG-CH2 4.46Å; E225-W279 WeakPolarHBondContact OE1-CH2 3.22Å; E244-W279 VanDerWaalsContact CD-NE1 3.31Å; E244-W279 PolarHBondContact OE1-NE1 3.24Å; E244-W279 PolarHBondContact OE2-NE1 2.72Å; P258-W279 HydrophobicContact CB-CH2 4.11Å; P258-W279 HydrophobicContact CB-CZ3 4.43Å; K260-W279 HydrophobicContact CB-CH2 4.46Å; K260-W279 HydrophobicContact CD-CD2 4.13Å; K260-W279 HydrophobicContact CD-CE3 4.28Å; K260-W279 HydrophobicContact CD-CH2 4Å; K260-W279 HydrophobicContact CD-CZ2 3.81Å; K260-W279 HydrophobicContact CD-CZ3 4.23Å; K260-W279 HydrophobicContact CG-CE3 4.24Å; K260-W279 HydrophobicContact CG-CH2 4.19Å; K260-W279 HydrophobicContact CG-CZ2 4.48Å; K260-W279 HydrophobicContact CG-CZ3 4.06Å; K260-W279 VanDerWaalsContact NZ-CD1 3.29Å; T273-W279 HydrophobicContact CG2-CB 3.86Å; T273-W279 HydrophobicContact CG2-CG 4.11Å; S276-W279 PolarHBondContact OG-N 2.9Å
280K96.6Very high94.2Very high74 Ų7454.9 Ų54.932%0.32229%0.289SS..EExtended strand (participates in β ladder)trans-96.9137.9172.5-69.1-177169.8177.30109.5F144 W145 E149 Y150 L278F144-K280 CarbonylContact C-O 3.57Å; F144-K280 VanDerWaalsContact CA-O 3.22Å; F144-K280 WeakPolarHBondContact CA-O 3.28Å; W145-K280 PolarHBondContact N-O 3.04Å; W145-K280 PolarHBondContact O-N 3.03Å; E149-K280 IonicContact OE1-NZ 3.96Å; E149-K280 PolarHBondContact OE1-NZ 3.02Å; E149-K280 IonicContact OE2-NZ 3.11Å; Y150-K280 HydrophobicContact CE2-CD 4.26Å; Y150-K280 VanDerWaalsContact OH-CE 3.29Å; Y150-K280 WeakPolarHBondContact OH-CE 3.26Å; L278-K280 PolarHBondContact O-N 2.72Å
281S96Very high94.1Very high74 Ų7453.6 Ų53.652%0.51728%0.279SS..EExtended strand (participates in β ladder)trans-62.9141.8168.7177.90000109.7D283S281-D283 VanDerWaalsContact C-N 3.33Å; S281-D283 PolarHBondContact OG-N 2.84Å; S281-D283 VanDerWaalsContact OG-N 3.09Å
282M95.4Very high93.9Very high17 Ų1748.6 Ų48.68%0.08426%0.259CS..EExtended strand (participates in β ladder)trans-89.4-1172.2-65.3-179.642.400113.1P21 V24 L143 W145 M284P21-M282 HydrophobicContact CB-CE 3.98Å; P21-M282 HydrophobicContact CB-CG 3.91Å; P21-M282 HydrophobicContact CB-SD 4.19Å; P21-M282 HydrophobicContact CG-CB 4.32Å; P21-M282 HydrophobicContact CG-CE 4.49Å; P21-M282 HydrophobicContact CG-CG 4.1Å; P21-M282 WeakPolarHBondContact O-CE 3.24Å; V24-M282 HydrophobicContact CG1-CE 3.83Å; V24-M282 HydrophobicContact CG1-SD 3.9Å; L143-M282 HydrophobicContact CB-CB 4.03Å; L143-M282 HydrophobicContact CB-CE 4.11Å; L143-M282 HydrophobicContact CB-CG 4.16Å; L143-M282 HydrophobicContact CB-SD 3.61Å; L143-M282 HydrophobicContact CD2-CE 4.01Å; L143-M282 HydrophobicContact CD2-SD 4.21Å; L143-M282 WeakPolarHBondContact O-CB 3.45Å; L143-M282 PolarHBondContact O-N 3.25Å; W145-M282 HydrophobicContact CB-CG 4.13Å; W145-M282 HydrophobicContact CB-SD 3.92Å; W145-M282 HydrophobicContact CG-CG 3.96Å; W145-M282 HydrophobicContact CG-SD 4.26Å; M282-M284 HydrophobicContact CB-CB 4.44Å; M282-M284 HydrophobicContact CE-CE 3.88Å; M282-M284 PolarHBondContact O-N 3.26Å
283D93.4Very high93.6Very high151 Ų15150.6 Ų50.681%0.80726%0.264SS*.EExtended strand (participates in β ladder)trans50.444.3-173.1-163.534.8000111.8S281S281-D283 VanDerWaalsContact C-N 3.33Å; S281-D283 PolarHBondContact OG-N 2.84Å; S281-D283 VanDerWaalsContact OG-N 3.09Å
284M93Very high92.9Very high13 Ų1353.7 Ų53.76%0.06428%0.281CS..EExtended strand (participates in β ladder)trans-145.9132.5-177.3-170.417173.700109.5R22 L143 M282 I286R22-M284 HydrophobicContact CG-SD 3.99Å; L143-M284 HydrophobicContact CD1-CB 4.43Å; L143-M284 HydrophobicContact CD1-CE 3.88Å; L143-M284 HydrophobicContact CD1-CG 4.39Å; L143-M284 VanDerWaalsContact CD1-O 3.32Å; L143-M284 WeakPolarHBondContact CD1-O 3.41Å; L143-M284 HydrophobicContact CD2-CE 3.64Å; L143-M284 HydrophobicContact CG-CE 4.29Å; L143-M284 PolarHBondContact N-O 3.07Å; L143-M284 VanDerWaalsContact N-O 3.12Å; M282-M284 HydrophobicContact CB-CB 4.44Å; M282-M284 HydrophobicContact CE-CE 3.88Å; M282-M284 PolarHBondContact O-N 3.26Å; M284-I286 HydrophobicContact CE-CG2 4.19Å; M284-I286 HydrophobicContact CG-CG2 4.44Å
285C95.2Very high91.7Very high53 Ų5361.1 Ų61.136%0.35830%0.296SS..EExtended strand (participates in β ladder)trans-114.5135.5171.3-51.70000108.6P114 V115 I140 T141 D142P114-C285 WeakPolarHBondContact CA-O 3.26Å; V115-C285 HydrophobicContact CB-CB 4.38Å; V115-C285 HydrophobicContact CG2-CB 3.82Å; V115-C285 PolarHBondContact N-O 2.99Å; I140-C285 HydrophobicContact CG2-CB 4.38Å; T141-C285 VanDerWaalsContact O-CA 3.26Å; T141-C285 WeakPolarHBondContact O-CA 3.11Å; D142-C285 PolarHBondContact OD1-SG 3.27Å
286I94.9Very high90.1Very high0 Ų066.9 Ų66.90%032%0.321CS..EExtended strand (participates in β ladder)trans-117.9152.1175.363.9177.1000109.6H112 L113 I140 T141 L143 M222 M284H112-I286 HydrophobicContact CB-CD1 4.39Å; H112-I286 WeakPolarHBondContact ND1-CG2 3.31Å; L113-I286 CarbonylContact O-C 3.51Å; L113-I286 VanDerWaalsContact O-CA 3.3Å; L113-I286 WeakPolarHBondContact O-CA 3.06Å; I140-I286 WeakPolarHBondContact CA-O 3.34Å; T141-I286 PolarHBondContact N-O 3.24Å; T141-I286 PolarHBondContact O-N 3.11Å; T141-I286 WeakPolarHBondContact OG1-CG1 3.44Å; L143-I286 HydrophobicContact CD1-CB 4.12Å; L143-I286 HydrophobicContact CD1-CD1 3.96Å; L143-I286 HydrophobicContact CD1-CG1 3.7Å; L143-I286 HydrophobicContact CD1-CG2 3.61Å; L143-I286 HydrophobicContact CD2-CD1 4.39Å; L143-I286 HydrophobicContact CG-CD1 4.41Å; M222-I286 HydrophobicContact CE-CD1 4.23Å; M284-I286 HydrophobicContact CE-CG2 4.19Å; M284-I286 HydrophobicContact CG-CG2 4.44Å
287D95Very high90Very high8 Ų868.6 Ų68.64%0.04333%0.325CS..EExtended strand (participates in β ladder)trans-107.5142.8172.4-151.1-16.8000110L113 V115 V118 S137 I140 L289L113-D287 PolarHBondContact O-N 3.39Å; V115-D287 HydrophobicContact CG2-CB 4.24Å; V118-D287 HydrophobicContact CG2-CB 4.03Å; S137-D287 WeakPolarHBondContact CB-OD1 3.27Å; S137-D287 PolarHBondContact OG-OD1 3.17Å; S137-D287 PolarHBondContact OG-OD2 3.32Å; I140-D287 HydrophobicContact CG1-CB 4.46Å; D287-L289 HydrophobicContact CB-CD2 4.09Å; D287-L289 HydrophobicContact CB-CG 4.05Å; D287-L289 WeakPolarHBondContact OD2-CD2 3.5Å
288W93.3Very high89.9Confident62 Ų6265.7 Ų65.724%0.23530%0.303CS..EExtended strand (participates in β ladder)trans-103112.7165.5-66.21.6000106.1Y111 E138 S139Y111-W288 HydrophobicContact CD1-CB 4.05Å; Y111-W288 HydrophobicContact CD1-CD2 4.1Å; Y111-W288 AromaticContact CD1-CG 3.8Å; Y111-W288 HydrophobicContact CD1-CG 3.8Å; Y111-W288 HydrophobicContact CE1-CB 4.44Å; Y111-W288 HydrophobicContact CE1-CD2 4.49Å; Y111-W288 HydrophobicContact CE1-CG 4.42Å; E138-W288 WeakPolarHBondContact CA-O 3.49Å; E138-W288 HydrophobicContact CB-CB 4.24Å; E138-W288 VanDerWaalsContact CB-O 3.3Å; E138-W288 WeakPolarHBondContact CB-O 3.28Å; E138-W288 PolarHBondContact N-O 3.01Å; S139-W288 PolarHBondContact N-O 2.94Å; S139-W288 PolarHBondContact O-N 3.05Å
289L94.5Very high89.7Confident2 Ų268.4 Ų68.41%0.0132%0.315CS..EExtended strand (participates in β ladder)trans-110.8139.2-170.3-64.1167.8000110.4L109 L110 L113 V118 M135 E136 D287 V291L109-L289 WeakPolarHBondContact CA-O 3.26Å; L110-L289 HydrophobicContact CB-CB 4.28Å; L110-L289 HydrophobicContact CD2-CD1 4.22Å; L110-L289 PolarHBondContact N-O 2.97Å; L110-L289 PolarHBondContact O-N 2.78Å; L113-L289 HydrophobicContact CD2-CD1 4.05Å; V118-L289 HydrophobicContact CG1-CD1 4.41Å; V118-L289 HydrophobicContact CG1-CD2 4.38Å; V118-L289 HydrophobicContact CG2-CD1 4.18Å; M135-L289 HydrophobicContact CE-CD1 3.75Å; M135-L289 HydrophobicContact CE-CD2 4.12Å; M135-L289 HydrophobicContact SD-CD1 4.43Å; E136-L289 WeakPolarHBondContact O-CA 3.44Å; D287-L289 HydrophobicContact CB-CD2 4.09Å; D287-L289 HydrophobicContact CB-CG 4.05Å; D287-L289 WeakPolarHBondContact OD2-CD2 3.5Å; L289-V291 HydrophobicContact CB-CG2 4.48Å
290R93Very high89.3Confident56 Ų5671.7 Ų71.721%0.21133%0.331CS..EExtended strand (participates in β ladder)trans-101.6122.3156.5-171.4-176.1178.4-1740.4108.7E107 L109 E136 E138 L292E107-R290 IonicContact OE1-NH2 3.5Å; E107-R290 IonicContact OE2-CZ 2.72Å; E107-R290 VanDerWaalsContact OE2-CZ 3.3Å; E107-R290 IonicContact OE2-NE 3.91Å; E107-R290 PolarHBondContact OE2-NE 2.95Å; E107-R290 IonicContact OE2-NH2 3.72Å; E107-R290 PolarHBondContact OE2-NH2 3.34Å; L109-R290 HydrophobicContact CD2-CB 3.96Å; L109-R290 HydrophobicContact CD2-CG 4.13Å; E136-R290 HydrophobicContact CB-CB 4.42Å; E136-R290 PolarHBondContact N-O 2.95Å; E136-R290 PolarHBondContact O-N 2.95Å; E138-R290 HydrophobicContact CG-CB 4.27Å; R290-L292 HydrophobicContact CG-CD2 4.25Å
291V92.4Very high88.9Confident0 Ų071.6 Ų71.60%033%0.332CS..EExtended strand (participates in β ladder)trans-106.3120.6177.2-172.20000107.4F102 E107 F108 L125 V133 M135 L289F102-V291 HydrophobicContact CD2-CG1 4.4Å; F102-V291 HydrophobicContact CE2-CG1 4.3Å; E107-V291 CarbonylContact C-O 3.55Å; E107-V291 WeakPolarHBondContact CA-O 3.37Å; E107-V291 VanDerWaalsContact CB-O 3.26Å; E107-V291 WeakPolarHBondContact CB-O 3.1Å; F108-V291 HydrophobicContact CD1-CB 4.12Å; F108-V291 HydrophobicContact CD1-CG1 4.43Å; F108-V291 HydrophobicContact CD2-CB 4.17Å; F108-V291 HydrophobicContact CD2-CG2 4.11Å; F108-V291 HydrophobicContact CE1-CB 3.72Å; F108-V291 HydrophobicContact CE1-CG1 3.68Å; F108-V291 HydrophobicContact CE1-CG2 4.26Å; F108-V291 HydrophobicContact CE2-CB 3.79Å; F108-V291 HydrophobicContact CE2-CG1 4.41Å; F108-V291 HydrophobicContact CE2-CG2 3.47Å; F108-V291 VanDerWaalsContact CE2-CG2 3.47Å; F108-V291 HydrophobicContact CG-CB 4.32Å; F108-V291 HydrophobicContact CZ-CB 3.55Å; F108-V291 HydrophobicContact CZ-CG1 3.67Å; F108-V291 HydrophobicContact CZ-CG2 3.56Å; F108-V291 PolarHBondContact N-O 2.98Å; F108-V291 PolarHBondContact O-N 3.41Å; L125-V291 HydrophobicContact CD1-CG1 3.7Å; V133-V291 HydrophobicContact CG1-CG1 3.99Å; M135-V291 HydrophobicContact CG-CB 4.41Å; M135-V291 HydrophobicContact CG-CG1 4.32Å; M135-V291 HydrophobicContact CG-CG2 3.71Å; M135-V291 HydrophobicContact SD-CG2 4.41Å; L289-V291 HydrophobicContact CB-CG2 4.48Å
292L90.5Very high88.4Confident26 Ų2671.4 Ų71.414%0.13632%0.319CS..EExtended strand (participates in β ladder)trans-143.7149.3-173.367.9164.5000112.3F102 E107 S134 E136 R290F102-L292 VanDerWaalsContact CE2-C 3.5Å; E107-L292 HydrophobicContact CB-CB 3.83Å; S134-L292 PolarHBondContact N-O 2.81Å; S134-L292 PolarHBondContact O-N 3.15Å; S134-L292 VanDerWaalsContact OG-CD2 3.22Å; S134-L292 WeakPolarHBondContact OG-CD2 3.26Å; S134-L292 VanDerWaalsContact OG-CG 3.28Å; S134-L292 WeakPolarHBondContact OG-CG 3.17Å; S134-L292 PolarHBondContact OG-O 2.71Å; E136-L292 HydrophobicContact CB-CD2 4.4Å; E136-L292 HydrophobicContact CG-CD2 3.87Å; R290-L292 HydrophobicContact CG-CD2 4.25Å
293R86.5Confident87.9Confident103 Ų10375.3 Ų75.339%0.38934%0.336SS..EExtended strand (participates in β ladder)trans-79.4122.8171.7-167.7176.4-92.8173.2-6.2108.6F102 G106 E129 A131 R295F102-R293 HydrophobicContact CE1-CB 4.19Å; F102-R293 HydrophobicContact CE2-CB 4.12Å; F102-R293 HydrophobicContact CZ-CB 3.49Å; F102-R293 VanDerWaalsContact CZ-CB 3.49Å; F102-R293 HydrophobicContact CZ-CG 4.21Å; G106-R293 PolarHBondContact O-N 3.48Å; E129-R293 IonicContact OE1-NH2 3.97Å; E129-R293 IonicContact OE2-CZ 3.67Å; E129-R293 IonicContact OE2-NE 3.85Å; E129-R293 IonicContact OE2-NH2 2.71Å; E129-R293 PolarHBondContact OE2-NH2 3.42Å; A131-R293 HydrophobicContact CB-CG 3.98Å; R293-R295 PolarHBondContact O-N 2.8Å
294N81.1Confident87.4Confident67 Ų6769.5 Ų69.536%0.35830%0.3SS..PPolyproline II helixtrans-62126.8174.1-69.5-64.5000109.3N132 S134 K296N132-N294 HydrophobicContact CB-CB 4.07Å; N132-N294 VanDerWaalsContact O-CB 3.26Å; N132-N294 WeakPolarHBondContact O-CB 3.32Å; N132-N294 PolarHBondContact O-N 2.96Å; N132-N294 PolarHBondContact O-ND2 3.48Å; S134-N294 PolarHBondContact N-ND2 2.95Å; S134-N294 PolarHBondContact OG-OD1 3.45Å; N294-K296 PolarHBondContact O-N 3.24Å
295R67.5Low87Confident241 Ų24174.2 Ų74.291%0.90932%0.319SS*.PPolyproline II helixtrans-71.3125.1168.7-64.4-175.6-177.4-177.51.6107.4R293R293-R295 PolarHBondContact O-N 2.8Å
296K59.9Low86.2Confident272 Ų27276.1 Ų76.1100%1.18332%0.316SS*.  trans-67.30171.3-76.7-173.9178.1179.80110.6N294N294-K296 PolarHBondContact O-N 3.24Å

Retrieved 296 of 296 residues in 995.2 ms (Link to these results)

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