A0A060VG26_HUMAN Loading...

MHC class I antigen

Involved in the presentation of foreign antigens to the immune system.

AlphaFold DB , UniProt , Accession A0A060VG26, Species HUMAN (Homo sapiens, Human), Gene HLA-C, Length 341 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
1S93.1Very high98.1Very high87 Ų8734.5 Ų34.561%0.60819%0.189SC*.  0157.30-60.70000107.8L102S1-L102 WeakPolarHBondContact CA-O 3.29Å; S1-L102 VanDerWaalsContact CB-O 3.31Å; S1-L102 WeakPolarHBondContact CB-O 3.5Å
2H97.3Very high98Very high46 Ų4633.1 Ų33.121%0.21318%0.183CC..EExtended strand (participates in β ladder)trans-138.7158.2-178.8-67.2-75000111.1D28 D101 L102 L167 L171H2-D28 WeakPolarHBondContact CA-OD1 3.4Å; H2-D28 IonicContact CE1-OD2 4Å; H2-D28 IonicContact CG-OD2 2.79Å; H2-D28 IonicContact ND1-OD1 3.93Å; H2-D28 IonicContact ND1-OD2 3.26Å; H2-D28 PolarHBondContact ND1-OD2 3.03Å; H2-D101 CarbonylContact O-C 3.53Å; H2-D101 WeakPolarHBondContact O-CA 3.5Å; H2-L102 PolarHBondContact N-O 2.88Å; H2-L102 VanDerWaalsContact N-O 3.09Å; H2-L102 PolarHBondContact O-N 3.34Å; H2-L167 HydrophobicContact CB-CD1 4.44Å; H2-L171 HydrophobicContact CB-CD1 3.68Å; H2-L171 HydrophobicContact CB-CD2 3.95Å; H2-L171 HydrophobicContact CB-CG 4.39Å; H2-L171 VanDerWaalsContact CG-CD2 3.47Å; H2-L171 WeakPolarHBondContact ND1-CD2 3.36Å
3S98.3Very high97.9Very high23 Ų2336.2 Ų36.216%0.16119%0.19CC..EExtended strand (participates in β ladder)trans-135.3151.4179.3650000111.8V27 D28 C100 D101S3-V27 CarbonylContact O-C 3.57Å; S3-V27 VanDerWaalsContact O-CA 3.3Å; S3-V27 WeakPolarHBondContact O-CA 3.28Å; S3-D28 PolarHBondContact N-OD1 3.38Å; S3-D28 PolarHBondContact O-N 3.42Å; S3-D28 PolarHBondContact OG-OD1 3.29Å; S3-C100 WeakPolarHBondContact CA-O 3.48Å; S3-D101 WeakPolarHBondContact CB-OD1 3.2Å
4M98.8Very high97.5Very high1 Ų137.4 Ų37.41%0.00520%0.201CC..EExtended strand (participates in β ladder)trans-126123.3167.1-177172.461.400108Y6 Y26 V27 F32 G99 C100 C163 W166 L167 Y170M4-Y6 HydrophobicContact CE-CE2 4.21Å; M4-Y6 HydrophobicContact CG-CE2 3.99Å; M4-Y6 HydrophobicContact SD-CE2 3.96Å; M4-Y26 CarbonylContact C-O 3.57Å; M4-Y26 WeakPolarHBondContact CA-O 3.23Å; M4-V27 HydrophobicContact CG-CG2 4.35Å; M4-F32 HydrophobicContact CG-CE1 4.43Å; M4-F32 HydrophobicContact SD-CZ 4.32Å; M4-G99 CarbonylContact O-C 3.57Å; M4-G99 WeakPolarHBondContact O-CA 3.49Å; M4-C100 PolarHBondContact N-O 3.38Å; M4-C100 PolarHBondContact O-N 3.41Å; M4-C163 HydrophobicContact CE-CB 4.19Å; M4-C163 VanDerWaalsContact CE-O 3.23Å; M4-C163 WeakPolarHBondContact CE-O 3.31Å; M4-C163 WeakPolarHBondContact CE-SG 3.27Å; M4-W166 HydrophobicContact CE-CB 4.05Å; M4-W166 HydrophobicContact SD-CB 4.39Å; M4-L167 HydrophobicContact CB-CB 4.05Å; M4-L167 HydrophobicContact CB-CD1 4.03Å; M4-L167 HydrophobicContact CB-CD2 3.96Å; M4-L167 HydrophobicContact CB-CG 4.23Å; M4-L167 HydrophobicContact CE-CB 4.32Å; M4-L167 HydrophobicContact SD-CB 4.47Å; M4-Y170 HydrophobicContact SD-CD2 3.76Å; M4-Y170 HydrophobicContact SD-CE2 3.59Å; M4-Y170 VanDerWaalsContact SD-CE2 3.59Å
5R98.7Very high97.1Very high47 Ų4741 Ų4118%0.17725%0.251CS..EExtended strand (participates in β ladder)trans-130.8137.3-177.1-57.3-62.1-178.977.76.9110.6F7 G25 Y26 Y98 D101 Y112R5-F7 HydrophobicContact CB-CD2 4.41Å; R5-F7 HydrophobicContact CB-CE2 3.59Å; R5-F7 HydrophobicContact CB-CZ 3.9Å; R5-G25 CarbonylContact O-C 3.55Å; R5-G25 WeakPolarHBondContact O-CA 3.47Å; R5-Y26 PolarHBondContact N-O 3.35Å; R5-Y26 PolarHBondContact O-N 2.91Å; R5-Y98 WeakPolarHBondContact CA-O 3.49Å; R5-D101 IonicContact CZ-OD1 3.5Å; R5-D101 IonicContact NE-OD1 3.88Å; R5-D101 PolarHBondContact NE-OD1 3.38Å; R5-D101 VanDerWaalsContact NH2-CG 3.32Å; R5-D101 IonicContact NH2-OD1 3.46Å; R5-D101 PolarHBondContact NH2-OD1 3.45Å; R5-D101 IonicContact NH2-OD2 2.75Å; R5-D101 PolarHBondContact NH2-OD2 3.39Å; R5-D101 VanDerWaalsContact NH2-OD2 3.09Å; R5-Y112 VanDerWaalsContact CZ-CE2 3.48Å; R5-Y112 PolarHBondContact NH2-OH 2.62Å
6Y98.8Very high96.8Very high7 Ų752.1 Ų52.13%0.02729%0.287CS..EExtended strand (participates in β ladder)trans-112.1141168.5-69.2-95.1000108.9M4 V24 F32 V33 M97 Y98M4-Y6 HydrophobicContact CE-CE2 4.21Å; M4-Y6 HydrophobicContact CG-CE2 3.99Å; M4-Y6 HydrophobicContact SD-CE2 3.96Å; Y6-V24 CarbonylContact C-O 3.58Å; Y6-V24 WeakPolarHBondContact CA-O 3.22Å; Y6-F32 HydrophobicContact CE1-CZ 4.1Å; Y6-F32 HydrophobicContact CE2-CZ 4.48Å; Y6-F32 AromaticContact CZ-CZ 3.75Å; Y6-F32 WeakPolarHBondContact OH-CZ 3.46Å; Y6-V33 HydrophobicContact CE1-CG2 3.95Å; Y6-M97 WeakPolarHBondContact O-CA 3.32Å; Y6-Y98 HydrophobicContact CD2-CD2 4.21Å; Y6-Y98 AromaticContact CD2-CE2 3.48Å; Y6-Y98 HydrophobicContact CD2-CE2 3.48Å; Y6-Y98 VanDerWaalsContact CD2-CE2 3.48Å; Y6-Y98 AromaticContact CD2-CZ 3.88Å; Y6-Y98 HydrophobicContact CE2-CE2 4.3Å; Y6-Y98 HydrophobicContact CG-CE1 4.41Å; Y6-Y98 AromaticContact CG-CE2 3.76Å; Y6-Y98 HydrophobicContact CG-CE2 3.76Å; Y6-Y98 AromaticContact CG-CZ 3.65Å; Y6-Y98 PolarHBondContact N-O 2.83Å; Y6-Y98 PolarHBondContact O-N 3.49Å; Y6-Y98 VanDerWaalsContact O-N 3.17Å
7F98.9Very high96.5Very high83 Ų8352.6 Ų52.636%0.36431%0.307SS..EExtended strand (participates in β ladder)trans-127.6114.6177.7-56.7-96.7000108.8R5 S23 V24 Y26 W96 M97R5-F7 HydrophobicContact CB-CD2 4.41Å; R5-F7 HydrophobicContact CB-CE2 3.59Å; R5-F7 HydrophobicContact CB-CZ 3.9Å; F7-S23 WeakPolarHBondContact O-CA 3.42Å; F7-V24 HydrophobicContact CB-CG2 3.87Å; F7-V24 HydrophobicContact CD2-CG2 4.31Å; F7-V24 PolarHBondContact N-O 3.29Å; F7-V24 PolarHBondContact O-N 3.46Å; F7-Y26 HydrophobicContact CD2-CD2 4.14Å; F7-Y26 HydrophobicContact CE2-CD2 4.12Å; F7-W96 WeakPolarHBondContact CA-O 3.36Å; F7-M97 HydrophobicContact CD1-CB 3.98Å; F7-M97 HydrophobicContact CD1-CG 3.57Å; F7-M97 HydrophobicContact CE1-CB 4.19Å; F7-M97 HydrophobicContact CE1-CG 3.36Å; F7-M97 HydrophobicContact CG-CG 4.38Å; F7-M97 HydrophobicContact CZ-CG 4.01Å
8D98.8Very high96.4Very high4 Ų455.2 Ų55.22%0.02132%0.316CS..EExtended strand (participates in β ladder)trans-106.1139.1177.7-69-5.4000109.1F21 I22 S23 Q69 Q95 W96D8-F21 HydrophobicContact CB-CE2 3.82Å; D8-F21 HydrophobicContact CB-CZ 4.05Å; D8-I22 CarbonylContact C-O 3.55Å; D8-I22 WeakPolarHBondContact CA-O 3.45Å; D8-S23 WeakPolarHBondContact OD1-CB 3.41Å; D8-S23 PolarHBondContact OD1-OG 2.94Å; D8-Q69 WeakPolarHBondContact OD2-CG 3.35Å; D8-Q95 CarbonylContact O-C 3.57Å; D8-Q95 VanDerWaalsContact O-CA 3.31Å; D8-Q95 WeakPolarHBondContact O-CA 3.37Å; D8-W96 HydrophobicContact CB-CB 4.24Å; D8-W96 HydrophobicContact CB-CE3 4.37Å; D8-W96 PolarHBondContact N-O 2.93Å; D8-W96 PolarHBondContact O-N 2.89Å
9T98.9Very high96.4Very high41 Ų4153.7 Ų53.725%0.25231%0.308SS..EExtended strand (participates in β ladder)trans-139.6119.5177.1-60.80000109.9V11 F21 I22 T93 L94 Q95T9-V11 HydrophobicContact CG2-CG2 4.02Å; T9-F21 WeakPolarHBondContact O-CA 3.39Å; T9-I22 PolarHBondContact N-O 3.41Å; T9-I22 PolarHBondContact O-N 2.93Å; T9-T93 HydrophobicContact CG2-CG2 4.06Å; T9-L94 WeakPolarHBondContact CA-O 3.46Å; T9-Q95 HydrophobicContact CG2-CG 4.12Å
10A98.7Very high96.5Very high2 Ų254.2 Ų54.22%0.01731%0.305CS..EExtended strand (participates in β ladder)trans-112.7124.4174.300000110.4R20 F21 D73 L77 T93 L94A10-R20 CarbonylContact C-O 3.52Å; A10-R20 VanDerWaalsContact CA-O 3.27Å; A10-R20 WeakPolarHBondContact CA-O 3.48Å; A10-F21 HydrophobicContact CB-CD2 4.3Å; A10-D73 HydrophobicContact CB-CB 3.62Å; A10-L77 HydrophobicContact CB-CD1 3.88Å; A10-T93 WeakPolarHBondContact O-CA 3.43Å; A10-L94 HydrophobicContact CB-CB 4.46Å; A10-L94 PolarHBondContact N-O 2.94Å; A10-L94 PolarHBondContact O-N 2.99Å
11V98.6Very high96.6Very high39 Ų3951.8 Ų51.824%0.23629%0.291CS..EExtended strand (participates in β ladder)trans-119114.7-179.1-1750000109.4T9 P19 R20 H92 T93T9-V11 HydrophobicContact CG2-CG2 4.02Å; V11-P19 CarbonylContact O-C 3.52Å; V11-P19 WeakPolarHBondContact O-CA 3.42Å; V11-P19 WeakPolarHBondContact O-CB 3.39Å; V11-R20 PolarHBondContact N-O 3.35Å; V11-R20 PolarHBondContact O-N 3.38Å; V11-H92 WeakPolarHBondContact CA-O 3.3Å; V11-T93 HydrophobicContact CG2-CG2 4.21Å
12S97.8Very high96.9Very high17 Ų1750 Ų5012%0.11927%0.274CS..  trans-68.8147.7174.674.10000110.9S91 H92S12-S91 PolarHBondContact O-OG 2.74Å; S12-H92 PolarHBondContact N-O 2.86Å; S12-H92 PolarHBondContact OG-N 3.17Å; S12-H92 PolarHBondContact OG-O 3.43Å
13R95.9Very high96.9Very high73 Ų7347.8 Ų47.828%0.27526%0.264SS..  trans-139.773.2-176-59.4173175.9-177.2-9.4110.8G15 R16 D38R13-G15 PolarHBondContact O-N 2.89Å; R13-R16 HydrophobicContact CB-CB 4.09Å; R13-R16 PolarHBondContact O-N 3.37Å; R13-D38 IonicContact CZ-OD2 2.81Å; R13-D38 IonicContact NH1-OD1 3.38Å; R13-D38 IonicContact NH1-OD2 3.67Å; R13-D38 PolarHBondContact NH1-OD2 2.9Å; R13-D38 IonicContact NH2-OD2 2.81Å
14P92.4Very high97Very high53 Ų5348 Ų4834%0.34426%0.264SS..THydrogen-bonded Turntrans-49.3130-178-26.735.1000111.9R16 E88 G90P14-R16 PolarHBondContact O-N 3.29Å; P14-E88 WeakPolarHBondContact CB-O 3.18Å; P14-E88 WeakPolarHBondContact CG-O 3.37Å; P14-G90 WeakPolarHBondContact CG-O 3.22Å
15G91.1Very high97Very high92 Ų9248 Ų4895%0.94826%0.264SS*.THydrogen-bonded Turntrans73.21.1-178.300000116.3R13R13-G15 PolarHBondContact O-N 2.89Å
16R92.9Very high97Very high219 Ų21949 Ų4983%0.82627%0.268SS*.SBendtrans-124.622.9-178.6-58.3-175.4180-174.70.6113.9R13 P14R13-R16 HydrophobicContact CB-CB 4.09Å; R13-R16 PolarHBondContact O-N 3.37Å; P14-R16 PolarHBondContact O-N 3.29Å
17G91.5Very high97Very high60 Ų6048.7 Ų48.762%0.61927%0.267SS*.SBendtrans101.3-156.7177.900000113.3
18E94.3Very high96.9Very high100 Ų10046.2 Ų46.247%0.46726%0.257SS..SBendtrans-75.5159.4-179.8-64.9-56.7163.200112.4R20 R74 R78E18-R20 PolarHBondContact O-N 3.47Å; E18-R74 IonicContact OE1-CZ 3.67Å; E18-R74 VanDerWaalsContact OE1-CZ 3.22Å; E18-R74 IonicContact OE1-NE 3.12Å; E18-R74 IonicContact OE1-NH2 3.76Å; E18-R74 PolarHBondContact OE1-NH2 3.49Å; E18-R74 WeakPolarHBondContact OE2-CD 3.31Å; E18-R74 IonicContact OE2-CZ 3.97Å; E18-R74 IonicContact OE2-NE 3.69Å; E18-R74 PolarHBondContact OE2-NE 2.91Å; E18-R74 IonicContact OE2-NH2 2.72Å; E18-R74 PolarHBondContact OE2-NH2 3.4Å; E18-R78 IonicContact OE2-NH2 3.69Å
19P97.1Very high96.7Very high26 Ų2649 Ų4917%0.16927%0.272CS..PPolyproline II helixtrans-55133.6171.4-24.434.6000111V11 R74 L77V11-P19 CarbonylContact O-C 3.52Å; V11-P19 WeakPolarHBondContact O-CA 3.42Å; V11-P19 WeakPolarHBondContact O-CB 3.39Å; P19-R74 HydrophobicContact CG-CB 4.35Å; P19-R74 HydrophobicContact CG-CG 4.2Å; P19-L77 HydrophobicContact CB-CD1 3.65Å; P19-L77 HydrophobicContact CG-CD1 3.82Å
20R98.3Very high96.7Very high64 Ų6448.6 Ų48.624%0.24227%0.27CS..EExtended strand (participates in β ladder)trans-76.7133.3170.5179.4-175.4-169165.6-19.5108.8A10 V11 E18 I22 D36 S37 D38A10-R20 CarbonylContact C-O 3.52Å; A10-R20 VanDerWaalsContact CA-O 3.27Å; A10-R20 WeakPolarHBondContact CA-O 3.48Å; V11-R20 PolarHBondContact N-O 3.35Å; V11-R20 PolarHBondContact O-N 3.38Å; E18-R20 PolarHBondContact O-N 3.47Å; R20-I22 HydrophobicContact CG-CG1 4.17Å; R20-D36 IonicContact CZ-OD1 2.65Å; R20-D36 IonicContact CZ-OD2 3.86Å; R20-D36 IonicContact NE-OD1 2.8Å; R20-D36 PolarHBondContact NE-OD1 2.86Å; R20-D36 IonicContact NE-OD2 3.44Å; R20-D36 IonicContact NH2-OD1 3.57Å; R20-D36 PolarHBondContact NH2-OD1 3.38Å; R20-D36 IonicContact NH2-OD2 2.65Å; R20-D36 PolarHBondContact NH2-OD2 3.38Å; R20-S37 WeakPolarHBondContact CA-OG 3.35Å; R20-D38 WeakPolarHBondContact CD-OD2 3.33Å; R20-D38 HydrophobicContact CG-CB 4.45Å; R20-D38 IonicContact CZ-OD2 2.62Å; R20-D38 IonicContact NE-OD2 3.63Å; R20-D38 PolarHBondContact NE-OD2 3.46Å; R20-D38 IonicContact NH1-OD2 3.55Å; R20-D38 PolarHBondContact NH1-OD2 2.95Å
21F98.7Very high96.6Very high3 Ų351 Ų511%0.01328%0.281CS..EExtended strand (participates in β ladder)trans-114.1127.8174.6176.5-94.4000109.8D8 T9 A10 F35 S37 Y66 Q69 A70 D73D8-F21 HydrophobicContact CB-CE2 3.82Å; D8-F21 HydrophobicContact CB-CZ 4.05Å; T9-F21 WeakPolarHBondContact O-CA 3.39Å; A10-F21 HydrophobicContact CB-CD2 4.3Å; F21-F35 AromaticContact CD1-CD1 3.66Å; F21-F35 HydrophobicContact CD1-CD1 3.66Å; F21-F35 AromaticContact CD1-CE1 3.78Å; F21-F35 HydrophobicContact CD1-CE1 3.78Å; F21-F35 AromaticContact CE1-CD1 3.88Å; F21-F35 HydrophobicContact CE1-CD1 3.88Å; F21-F35 HydrophobicContact CE1-CE1 4.28Å; F21-S37 PolarHBondContact N-OG 2.92Å; F21-S37 PolarHBondContact O-N 3.46Å; F21-S37 PolarHBondContact O-OG 2.76Å; F21-Y66 HydrophobicContact CE1-CD1 4.44Å; F21-Q69 HydrophobicContact CE2-CB 4.26Å; F21-Q69 HydrophobicContact CE2-CG 3.72Å; F21-Q69 HydrophobicContact CZ-CB 3.92Å; F21-Q69 HydrophobicContact CZ-CG 3.72Å; F21-A70 HydrophobicContact CB-CB 3.66Å; F21-A70 HydrophobicContact CD1-CB 3.73Å; F21-A70 HydrophobicContact CD2-CB 4.2Å; F21-A70 HydrophobicContact CE1-CB 4.43Å; F21-A70 HydrophobicContact CG-CB 3.59Å; F21-D73 VanDerWaalsContact CE2-OD2 3.24Å; F21-D73 WeakPolarHBondContact CE2-OD2 2.93Å
22I98.8Very high96.6Very high49 Ų4949.1 Ų49.125%0.25127%0.269SS..EExtended strand (participates in β ladder)trans-123.6133.9173.3-57.2175.1000107.3D8 T9 R20 V24 F35D8-I22 CarbonylContact C-O 3.55Å; D8-I22 WeakPolarHBondContact CA-O 3.45Å; T9-I22 PolarHBondContact N-O 3.41Å; T9-I22 PolarHBondContact O-N 2.93Å; R20-I22 HydrophobicContact CG-CG1 4.17Å; I22-V24 HydrophobicContact CG2-CG1 4.38Å; I22-F35 WeakPolarHBondContact CA-O 3.41Å
23S98.8Very high96.6Very high0 Ų048.3 Ų48.30%026%0.264CS..EExtended strand (participates in β ladder)trans-125.7137.8171.2-176.90000109.5F7 D8 R34 F35 Y66F7-S23 WeakPolarHBondContact O-CA 3.42Å; D8-S23 WeakPolarHBondContact OD1-CB 3.41Å; D8-S23 PolarHBondContact OD1-OG 2.94Å; S23-R34 CarbonylContact O-C 3.53Å; S23-R34 WeakPolarHBondContact O-CA 3.43Å; S23-F35 PolarHBondContact N-O 3.32Å; S23-F35 PolarHBondContact O-N 3.46Å; S23-Y66 WeakPolarHBondContact OG-CE1 3.17Å
24V98.8Very high96.7Very high28 Ų2848.7 Ų48.717%0.1727%0.265CS..EExtended strand (participates in β ladder)trans-133.5139.8173.2-63.20000110.2Y6 F7 I22 Y26 V33 R34Y6-V24 CarbonylContact C-O 3.58Å; Y6-V24 WeakPolarHBondContact CA-O 3.22Å; F7-V24 HydrophobicContact CB-CG2 3.87Å; F7-V24 HydrophobicContact CD2-CG2 4.31Å; F7-V24 PolarHBondContact N-O 3.29Å; F7-V24 PolarHBondContact O-N 3.46Å; I22-V24 HydrophobicContact CG2-CG1 4.38Å; V24-Y26 HydrophobicContact CB-CE2 4.09Å; V24-Y26 HydrophobicContact CG2-CD2 4.37Å; V24-Y26 HydrophobicContact CG2-CE2 3.81Å; V24-V33 WeakPolarHBondContact CA-O 3.43Å; V24-R34 HydrophobicContact CG1-CB 4.48Å; V24-R34 HydrophobicContact CG1-CG 4.25Å
25G98.7Very high97Very high0 Ų046.3 Ų46.30%025%0.249CC..EExtended strand (participates in β ladder)trans-116.5138.6176.600000111R5 Q31 F32 V33R5-G25 CarbonylContact O-C 3.55Å; R5-G25 WeakPolarHBondContact O-CA 3.47Å; G25-Q31 WeakPolarHBondContact O-CA 3.34Å; G25-F32 WeakPolarHBondContact O-CD1 3.27Å; G25-F32 PolarHBondContact O-N 3.02Å; G25-V33 PolarHBondContact N-O 3.41Å; G25-V33 PolarHBondContact O-N 2.98Å
26Y98.7Very high97.4Very high70 Ų7042.3 Ų42.328%0.27521%0.206SC..EExtended strand (participates in β ladder)trans-124.8142.1177.9-75.2-102.2000110.8M4 R5 F7 V24 T30 Q31M4-Y26 CarbonylContact C-O 3.57Å; M4-Y26 WeakPolarHBondContact CA-O 3.23Å; R5-Y26 PolarHBondContact N-O 3.35Å; R5-Y26 PolarHBondContact O-N 2.91Å; F7-Y26 HydrophobicContact CD2-CD2 4.14Å; F7-Y26 HydrophobicContact CE2-CD2 4.12Å; V24-Y26 HydrophobicContact CB-CE2 4.09Å; V24-Y26 HydrophobicContact CG2-CD2 4.37Å; V24-Y26 HydrophobicContact CG2-CE2 3.81Å; Y26-T30 WeakPolarHBondContact CA-O 3.5Å; Y26-T30 VanDerWaalsContact CD1-C 3.49Å; Y26-Q31 HydrophobicContact CD1-CB 4Å; Y26-Q31 VanDerWaalsContact CD1-N 3.3Å; Y26-Q31 HydrophobicContact CD2-CG 4.39Å; Y26-Q31 HydrophobicContact CE1-CB 3.5Å; Y26-Q31 VanDerWaalsContact CE1-CB 3.5Å; Y26-Q31 HydrophobicContact CE1-CG 4.21Å; Y26-Q31 HydrophobicContact CE2-CB 4.12Å; Y26-Q31 HydrophobicContact CE2-CG 3.88Å; Y26-Q31 HydrophobicContact CG-CB 4.49Å
27V98.5Very high97.6Very high0 Ų033.6 Ų33.60%018%0.179CC..EExtended strand (participates in β ladder)trans-110.4118.8157176.60000106.1S3 M4 D29 T30 F32 W50 L167 Y170 L171 L178S3-V27 CarbonylContact O-C 3.57Å; S3-V27 VanDerWaalsContact O-CA 3.3Å; S3-V27 WeakPolarHBondContact O-CA 3.28Å; M4-V27 HydrophobicContact CG-CG2 4.35Å; V27-D29 PolarHBondContact O-N 2.94Å; V27-T30 PolarHBondContact N-O 3.28Å; V27-T30 WeakPolarHBondContact O-CB 3.46Å; V27-T30 PolarHBondContact O-N 3.45Å; V27-F32 HydrophobicContact CG2-CD1 3.99Å; V27-F32 HydrophobicContact CG2-CE1 4Å; V27-W50 HydrophobicContact CB-CH2 4.34Å; V27-W50 HydrophobicContact CB-CZ2 4.45Å; V27-W50 HydrophobicContact CG2-CH2 3.86Å; V27-W50 HydrophobicContact CG2-CZ2 4.45Å; V27-L167 HydrophobicContact CG1-CD1 3.62Å; V27-L167 HydrophobicContact CG2-CD1 4.28Å; V27-Y170 HydrophobicContact CG2-CD2 3.99Å; V27-Y170 HydrophobicContact CG2-CG 4.46Å; V27-L171 HydrophobicContact CG1-CD2 4.08Å; V27-L178 HydrophobicContact CB-CD1 4.3Å; V27-L178 HydrophobicContact CB-CD2 4.18Å; V27-L178 HydrophobicContact CG1-CD1 3.88Å; V27-L178 HydrophobicContact CG1-CD2 4.08Å
28D96.9Very high97.9Very high30 Ų3034.7 Ų34.716%0.1617%0.17CC..THydrogen-bonded Turntrans48.7-124.4-165.7-53.2-41.1000110.6H2 S3 T30H2-D28 WeakPolarHBondContact CA-OD1 3.4Å; H2-D28 IonicContact CE1-OD2 4Å; H2-D28 IonicContact CG-OD2 2.79Å; H2-D28 IonicContact ND1-OD1 3.93Å; H2-D28 IonicContact ND1-OD2 3.26Å; H2-D28 PolarHBondContact ND1-OD2 3.03Å; S3-D28 PolarHBondContact N-OD1 3.38Å; S3-D28 PolarHBondContact O-N 3.42Å; S3-D28 PolarHBondContact OG-OD1 3.29Å; D28-T30 VanDerWaalsContact C-N 3.34Å
29D96.4Very high98Very high63 Ų6331.7 Ų31.734%0.33716%0.161SC..THydrogen-bonded Turntrans-92.58.4179.2-60.1-55.3000113.4V27 Y208 P209 A210 F240V27-D29 PolarHBondContact O-N 2.94Å; D29-Y208 HydrophobicContact CB-CE2 3.98Å; D29-P209 WeakPolarHBondContact OD2-CB 3.37Å; D29-A210 HydrophobicContact CB-CB 4.32Å; D29-A210 WeakPolarHBondContact OD2-CB 3.18Å; D29-A210 PolarHBondContact OD2-N 3.22Å; D29-F240 HydrophobicContact CB-CE2 3.78Å; D29-F240 HydrophobicContact CB-CZ 3.71Å
30T97.1Very high97.9Very high32 Ų3236 Ų3620%0.19620%0.199CC..EExtended strand (participates in β ladder)trans-104.1113.4-176.8-61.30000111.7Y26 V27 D28 F32 A48 W50 L178 Y208Y26-T30 WeakPolarHBondContact CA-O 3.5Å; Y26-T30 VanDerWaalsContact CD1-C 3.49Å; V27-T30 PolarHBondContact N-O 3.28Å; V27-T30 WeakPolarHBondContact O-CB 3.46Å; V27-T30 PolarHBondContact O-N 3.45Å; D28-T30 VanDerWaalsContact C-N 3.34Å; T30-F32 PolarHBondContact O-N 3.35Å; T30-A48 HydrophobicContact CG2-CB 4.4Å; T30-W50 HydrophobicContact CG2-CZ2 4.48Å; T30-L178 HydrophobicContact CG2-CD2 4.12Å; T30-Y208 PolarHBondContact OG1-OH 3.22Å
31Q97.6Very high97.7Very high52 Ų5236.9 Ų36.924%0.24321%0.214CC..EExtended strand (participates in β ladder)trans-67.8129.7172.8-166.6179.56.800110.4G25 Y26 V33 R47G25-Q31 WeakPolarHBondContact O-CA 3.34Å; Y26-Q31 HydrophobicContact CD1-CB 4Å; Y26-Q31 VanDerWaalsContact CD1-N 3.3Å; Y26-Q31 HydrophobicContact CD2-CG 4.39Å; Y26-Q31 HydrophobicContact CE1-CB 3.5Å; Y26-Q31 VanDerWaalsContact CE1-CB 3.5Å; Y26-Q31 HydrophobicContact CE1-CG 4.21Å; Y26-Q31 HydrophobicContact CE2-CB 4.12Å; Y26-Q31 HydrophobicContact CE2-CG 3.88Å; Y26-Q31 HydrophobicContact CG-CB 4.49Å; Q31-V33 PolarHBondContact NE2-O 2.95Å; Q31-R47 HydrophobicContact CB-CB 4.46Å; Q31-R47 HydrophobicContact CG-CB 4.09Å; Q31-R47 HydrophobicContact CG-CG 4.32Å; Q31-R47 CarbonylContact O-C 3.59Å
32F98.1Very high97.6Very high0 Ų038.4 Ų38.40%023%0.225CC..EExtended strand (participates in β ladder)trans-122.1-22.9-179.475.8-82.5000114.3M4 Y6 G25 V27 T30 R47 A48 W50 V51 Y170M4-F32 HydrophobicContact CG-CE1 4.43Å; M4-F32 HydrophobicContact SD-CZ 4.32Å; Y6-F32 HydrophobicContact CE1-CZ 4.1Å; Y6-F32 HydrophobicContact CE2-CZ 4.48Å; Y6-F32 AromaticContact CZ-CZ 3.75Å; Y6-F32 WeakPolarHBondContact OH-CZ 3.46Å; G25-F32 WeakPolarHBondContact O-CD1 3.27Å; G25-F32 PolarHBondContact O-N 3.02Å; V27-F32 HydrophobicContact CG2-CD1 3.99Å; V27-F32 HydrophobicContact CG2-CE1 4Å; T30-F32 PolarHBondContact O-N 3.35Å; F32-R47 PolarHBondContact O-N 3.35Å; F32-A48 HydrophobicContact CB-CB 4.07Å; F32-W50 HydrophobicContact CB-CH2 3.1Å; F32-W50 HydrophobicContact CB-CZ2 3.38Å; F32-W50 HydrophobicContact CB-CZ3 3.88Å; F32-W50 HydrophobicContact CD1-CH2 4Å; F32-W50 AromaticContact CD2-CH2 3.77Å; F32-W50 HydrophobicContact CD2-CH2 3.77Å; F32-W50 AromaticContact CD2-CZ3 3.97Å; F32-W50 HydrophobicContact CD2-CZ3 3.97Å; F32-W50 AromaticContact CG-CH2 3.38Å; F32-W50 HydrophobicContact CG-CH2 3.38Å; F32-W50 HydrophobicContact CG-CZ2 4.12Å; F32-W50 HydrophobicContact CG-CZ3 4.05Å; F32-V51 HydrophobicContact CB-CG1 4.37Å; F32-V51 HydrophobicContact CD2-CB 4.35Å; F32-V51 HydrophobicContact CD2-CG2 4.08Å; F32-V51 VanDerWaalsContact O-CG1 3.24Å; F32-V51 WeakPolarHBondContact O-CG1 3.1Å; F32-Y170 HydrophobicContact CD2-CE2 4.49Å; F32-Y170 HydrophobicContact CE2-CD2 4.3Å; F32-Y170 AromaticContact CE2-CE2 3.67Å; F32-Y170 HydrophobicContact CE2-CE2 3.67Å; F32-Y170 AromaticContact CE2-CZ 3.82Å; F32-Y170 HydrophobicContact CZ-CD2 4.36Å; F32-Y170 AromaticContact CZ-CE2 3.83Å; F32-Y170 HydrophobicContact CZ-CE2 3.83Å
33V98.3Very high97.5Very high0 Ų043.4 Ų43.40%024%0.241CC..EExtended strand (participates in β ladder)trans-137.4153.4175-72.70000112.6Y6 V24 G25 Q31 E45 W59 Y66Y6-V33 HydrophobicContact CE1-CG2 3.95Å; V24-V33 WeakPolarHBondContact CA-O 3.43Å; G25-V33 PolarHBondContact N-O 3.41Å; G25-V33 PolarHBondContact O-N 2.98Å; Q31-V33 PolarHBondContact NE2-O 2.95Å; V33-E45 WeakPolarHBondContact CA-O 3.47Å; V33-W59 HydrophobicContact CG1-CH2 3.91Å; V33-W59 HydrophobicContact CG1-CZ3 3.81Å; V33-Y66 WeakPolarHBondContact CG2-OH 3.49Å
34R98.4Very high97.5Very high81 Ų8143.7 Ų43.731%0.30624%0.244SC..EExtended strand (participates in β ladder)trans-142146.3171178.5173.5171.9142.12.3111S23 V24 D36 E45 R47S23-R34 CarbonylContact O-C 3.53Å; S23-R34 WeakPolarHBondContact O-CA 3.43Å; V24-R34 HydrophobicContact CG1-CB 4.48Å; V24-R34 HydrophobicContact CG1-CG 4.25Å; R34-D36 IonicContact NH2-OD2 3.07Å; R34-D36 PolarHBondContact NH2-OD2 2.95Å; R34-D36 VanDerWaalsContact NH2-OD2 3.12Å; R34-E45 PolarHBondContact N-O 3.34Å; R34-E45 PolarHBondContact O-N 3.49Å; R34-R47 HydrophobicContact CB-CG 3.9Å
35F98.8Very high97.4Very high3 Ų344.7 Ų44.71%0.01325%0.246CC..EExtended strand (participates in β ladder)trans-133.4142.9165178.8-86.3000109.5F21 I22 S23 P42 Y66 K67F21-F35 AromaticContact CD1-CD1 3.66Å; F21-F35 HydrophobicContact CD1-CD1 3.66Å; F21-F35 AromaticContact CD1-CE1 3.78Å; F21-F35 HydrophobicContact CD1-CE1 3.78Å; F21-F35 AromaticContact CE1-CD1 3.88Å; F21-F35 HydrophobicContact CE1-CD1 3.88Å; F21-F35 HydrophobicContact CE1-CE1 4.28Å; I22-F35 WeakPolarHBondContact CA-O 3.41Å; S23-F35 PolarHBondContact N-O 3.32Å; S23-F35 PolarHBondContact O-N 3.46Å; F35-P42 HydrophobicContact CE2-CB 3.84Å; F35-P42 HydrophobicContact CZ-CB 3.65Å; F35-Y66 HydrophobicContact CB-CD1 4.13Å; F35-Y66 HydrophobicContact CB-CD2 3.6Å; F35-Y66 HydrophobicContact CB-CE2 4.03Å; F35-Y66 HydrophobicContact CB-CG 3.67Å; F35-Y66 HydrophobicContact CD1-CG 4.35Å; F35-Y66 AromaticContact CD2-CD2 3.68Å; F35-Y66 HydrophobicContact CD2-CD2 3.68Å; F35-Y66 AromaticContact CD2-CG 3.89Å; F35-Y66 HydrophobicContact CD2-CG 3.89Å; F35-Y66 HydrophobicContact CG-CD1 4.49Å; F35-Y66 AromaticContact CG-CD2 3.82Å; F35-Y66 HydrophobicContact CG-CD2 3.82Å; F35-Y66 AromaticContact CG-CG 3.71Å; F35-Y66 HydrophobicContact CG-CG 3.71Å; F35-K67 HydrophobicContact CE2-CG 4.33Å; F35-K67 HydrophobicContact CZ-CG 4.11Å
36D98.6Very high97.4Very high9 Ų947 Ų475%0.04826%0.261CS..EExtended strand (participates in β ladder)trans-140.6120.6176-163-28000109.4R20 R34 D38 S39R20-D36 IonicContact CZ-OD1 2.65Å; R20-D36 IonicContact CZ-OD2 3.86Å; R20-D36 IonicContact NE-OD1 2.8Å; R20-D36 PolarHBondContact NE-OD1 2.86Å; R20-D36 IonicContact NE-OD2 3.44Å; R20-D36 IonicContact NH2-OD1 3.57Å; R20-D36 PolarHBondContact NH2-OD1 3.38Å; R20-D36 IonicContact NH2-OD2 2.65Å; R20-D36 PolarHBondContact NH2-OD2 3.38Å; R34-D36 IonicContact NH2-OD2 3.07Å; R34-D36 PolarHBondContact NH2-OD2 2.95Å; R34-D36 VanDerWaalsContact NH2-OD2 3.12Å; D36-D38 PolarHBondContact O-N 2.86Å; D36-D38 PolarHBondContact OD1-N 2.91Å; D36-S39 WeakPolarHBondContact O-CB 3.4Å; D36-S39 PolarHBondContact O-N 2.92Å
37S98.1Very high97.3Very high36 Ų3649.4 Ų49.425%0.25227%0.27SS..THydrogen-bonded Turntrans-68-22.2-178.467.50000113.3R20 F21 S39R20-S37 WeakPolarHBondContact CA-OG 3.35Å; F21-S37 PolarHBondContact N-OG 2.92Å; F21-S37 PolarHBondContact O-N 3.46Å; F21-S37 PolarHBondContact O-OG 2.76Å; S37-S39 VanDerWaalsContact C-N 3.3Å
38D97.1Very high97.2Very high82 Ų8249.6 Ų49.644%0.43927%0.272SS..THydrogen-bonded Turntrans-82.8-7.5179.2-75.83.8000112.4R13 R20 D36R13-D38 IonicContact CZ-OD2 2.81Å; R13-D38 IonicContact NH1-OD1 3.38Å; R13-D38 IonicContact NH1-OD2 3.67Å; R13-D38 PolarHBondContact NH1-OD2 2.9Å; R13-D38 IonicContact NH2-OD2 2.81Å; R20-D38 WeakPolarHBondContact CD-OD2 3.33Å; R20-D38 HydrophobicContact CG-CB 4.45Å; R20-D38 IonicContact CZ-OD2 2.62Å; R20-D38 IonicContact NE-OD2 3.63Å; R20-D38 PolarHBondContact NE-OD2 3.46Å; R20-D38 IonicContact NH1-OD2 3.55Å; R20-D38 PolarHBondContact NH1-OD2 2.95Å; D36-D38 PolarHBondContact O-N 2.86Å; D36-D38 PolarHBondContact OD1-N 2.91Å
39S95.9Very high97.1Very high38 Ų3853.1 Ų53.127%0.26630%0.296SS..SBendtrans-62.9147.7176.7-740000111.6D36 S37 S41 P42D36-S39 WeakPolarHBondContact O-CB 3.4Å; D36-S39 PolarHBondContact O-N 2.92Å; S37-S39 VanDerWaalsContact C-N 3.3Å; S39-S41 PolarHBondContact O-N 3.12Å; S39-S41 VanDerWaalsContact O-N 3.14Å; S39-P42 WeakPolarHBondContact O-CD 3.34Å; S39-P42 VanDerWaalsContact O-CG 3.25Å; S39-P42 WeakPolarHBondContact O-CG 3.42Å
40A94.9Very high97.1Very high117 Ų11750.8 Ų50.897%0.96728%0.283SS*.SBendtrans-58.4-31.1-179.600000113.5
41S95.1Very high97.1Very high81 Ų8149.3 Ų49.357%0.56627%0.273SS*.SBendtrans-134.188.1171.4-173.20000109S39 R43S39-S41 PolarHBondContact O-N 3.12Å; S39-S41 VanDerWaalsContact O-N 3.14Å; S41-R43 PolarHBondContact O-N 3.47Å; S41-R43 VanDerWaalsContact O-N 3.1Å
42P96.2Very high97Very high36 Ų3652.7 Ų52.723%0.23429%0.289CS..  trans-64.3112.5-174.9-23.234.5000111.8F35 S39 K67F35-P42 HydrophobicContact CE2-CB 3.84Å; F35-P42 HydrophobicContact CZ-CB 3.65Å; S39-P42 WeakPolarHBondContact O-CD 3.34Å; S39-P42 VanDerWaalsContact O-CG 3.25Å; S39-P42 WeakPolarHBondContact O-CG 3.42Å; P42-K67 WeakPolarHBondContact O-CE 3.33Å; P42-K67 PolarHBondContact O-NZ 2.98Å
43R97.6Very high96.9Very high154 Ų15458.5 Ų58.558%0.58132%0.316SS*.  trans-146.5159.6176.962.8-176.6170.7178.1-0.9110.5S41 E45 T63S41-R43 PolarHBondContact O-N 3.47Å; S41-R43 VanDerWaalsContact O-N 3.1Å; R43-E45 HydrophobicContact CG-CG 4.42Å; R43-E45 PolarHBondContact O-N 2.98Å; R43-T63 HydrophobicContact CB-CG2 4.19Å
44G97.4Very high96.8Very high6 Ų659 Ų596%0.06232%0.319CS..  trans-64.1130.3168.600000109.6T63G44-T63 PolarHBondContact N-OG1 2.94Å
45E97.6Very high96.7Very high49 Ų4956.6 Ų56.623%0.22932%0.319CS..EExtended strand (participates in β ladder)trans-117.3132.7-178.5-66.3175.1170.700109.8V33 R34 R43 R47V33-E45 WeakPolarHBondContact CA-O 3.47Å; R34-E45 PolarHBondContact N-O 3.34Å; R34-E45 PolarHBondContact O-N 3.49Å; R43-E45 HydrophobicContact CG-CG 4.42Å; R43-E45 PolarHBondContact O-N 2.98Å; E45-R47 IonicContact OE2-CZ 3.56Å; E45-R47 IonicContact OE2-NH2 2.7Å; E45-R47 PolarHBondContact OE2-NH2 2.97Å
46P97.9Very high96.6Very high48 Ų4860.6 Ų60.631%0.31235%0.345SS..EExtended strand (participates in β ladder)trans-66144.9172.328.4-33.6000110.7V51 E52 W59P46-V51 HydrophobicContact CB-CG1 3.78Å; P46-E52 HydrophobicContact CB-CG 3.68Å; P46-E52 HydrophobicContact CG-CG 3.93Å; P46-W59 HydrophobicContact CB-CH2 3.62Å; P46-W59 HydrophobicContact CB-CZ2 3.81Å; P46-W59 HydrophobicContact CG-CH2 4.25Å; P46-W59 HydrophobicContact CG-CZ2 4.26Å
47R97.3Very high96.5Very high120 Ų12067 Ų6745%0.45338%0.375SS..  trans-127.3-1.4175.2-60.9-64.1172.1179.9-0.8113.2Q31 F32 R34 E45Q31-R47 HydrophobicContact CB-CB 4.46Å; Q31-R47 HydrophobicContact CG-CB 4.09Å; Q31-R47 HydrophobicContact CG-CG 4.32Å; Q31-R47 CarbonylContact O-C 3.59Å; F32-R47 PolarHBondContact O-N 3.35Å; R34-R47 HydrophobicContact CB-CG 3.9Å; E45-R47 IonicContact OE2-CZ 3.56Å; E45-R47 IonicContact OE2-NH2 2.7Å; E45-R47 PolarHBondContact OE2-NH2 2.97Å
48A96Very high96.5Very high5 Ų565.7 Ų65.74%0.04136%0.364CS..SBendtrans-137.3143.7173.200000110.9T30 F32 W50 V51T30-A48 HydrophobicContact CG2-CB 4.4Å; F32-A48 HydrophobicContact CB-CB 4.07Å; A48-W50 VanDerWaalsContact C-N 3.29Å; A48-W50 HydrophobicContact CB-CD2 4.13Å; A48-W50 HydrophobicContact CB-CG 4.38Å; A48-W50 HydrophobicContact CB-CZ2 3.94Å; A48-W50 PolarHBondContact O-N 3.3Å; A48-V51 WeakPolarHBondContact O-CG1 3.42Å; A48-V51 PolarHBondContact O-N 3.47Å
49P95.9Very high96.5Very high103 Ų10363.6 Ų63.667%0.66935%0.35SS*.Hα-helixtrans-58-37.5-177-26.634.8000114V51 E52P49-V51 PolarHBondContact O-N 3.02Å; P49-E52 WeakPolarHBondContact O-CB 3.38Å; P49-E52 PolarHBondContact O-N 2.95Å; P49-E52 VanDerWaalsContact O-N 3.1Å
50W95.9Very high96.6Very high15 Ų1566.9 Ų66.96%0.05737%0.365CS..Hα-helixtrans-70.8-13-17652.8-106.2000114.5V27 T30 F32 A48 Q53 Y170 N173 T177 L178V27-W50 HydrophobicContact CB-CH2 4.34Å; V27-W50 HydrophobicContact CB-CZ2 4.45Å; V27-W50 HydrophobicContact CG2-CH2 3.86Å; V27-W50 HydrophobicContact CG2-CZ2 4.45Å; T30-W50 HydrophobicContact CG2-CZ2 4.48Å; F32-W50 HydrophobicContact CB-CH2 3.1Å; F32-W50 HydrophobicContact CB-CZ2 3.38Å; F32-W50 HydrophobicContact CB-CZ3 3.88Å; F32-W50 HydrophobicContact CD1-CH2 4Å; F32-W50 AromaticContact CD2-CH2 3.77Å; F32-W50 HydrophobicContact CD2-CH2 3.77Å; F32-W50 AromaticContact CD2-CZ3 3.97Å; F32-W50 HydrophobicContact CD2-CZ3 3.97Å; F32-W50 AromaticContact CG-CH2 3.38Å; F32-W50 HydrophobicContact CG-CH2 3.38Å; F32-W50 HydrophobicContact CG-CZ2 4.12Å; F32-W50 HydrophobicContact CG-CZ3 4.05Å; A48-W50 VanDerWaalsContact C-N 3.29Å; A48-W50 HydrophobicContact CB-CD2 4.13Å; A48-W50 HydrophobicContact CB-CG 4.38Å; A48-W50 HydrophobicContact CB-CZ2 3.94Å; A48-W50 PolarHBondContact O-N 3.3Å; W50-Q53 WeakPolarHBondContact O-CG 3.36Å; W50-Y170 HydrophobicContact CE3-CD1 4.23Å; W50-Y170 HydrophobicContact CE3-CG 4.49Å; W50-Y170 HydrophobicContact CH2-CG 4.2Å; W50-Y170 AromaticContact CZ3-CD1 3.59Å; W50-Y170 HydrophobicContact CZ3-CD1 3.59Å; W50-Y170 HydrophobicContact CZ3-CD2 4.36Å; W50-Y170 HydrophobicContact CZ3-CE1 4.33Å; W50-Y170 AromaticContact CZ3-CG 3.62Å; W50-Y170 HydrophobicContact CZ3-CG 3.62Å; W50-N173 HydrophobicContact CB-CB 4.43Å; W50-T177 VanDerWaalsContact CD1-OG1 3.24Å; W50-L178 HydrophobicContact CD2-CD1 4.42Å; W50-L178 HydrophobicContact CH2-CD1 4.36Å; W50-L178 HydrophobicContact CZ2-CD1 3.83Å; W50-L178 HydrophobicContact CZ2-CD2 4.12Å; W50-L178 HydrophobicContact CZ2-CG 4.38Å
51V97.3Very high96.8Very high0 Ų066.1 Ų66.10%034%0.337CS..Hα-helixtrans-94-17.7171.972.40000112F32 P46 A48 P49 Q53 E54 Y58 W59 Y170F32-V51 HydrophobicContact CB-CG1 4.37Å; F32-V51 HydrophobicContact CD2-CB 4.35Å; F32-V51 HydrophobicContact CD2-CG2 4.08Å; F32-V51 VanDerWaalsContact O-CG1 3.24Å; F32-V51 WeakPolarHBondContact O-CG1 3.1Å; P46-V51 HydrophobicContact CB-CG1 3.78Å; A48-V51 WeakPolarHBondContact O-CG1 3.42Å; A48-V51 PolarHBondContact O-N 3.47Å; P49-V51 PolarHBondContact O-N 3.02Å; V51-Q53 PolarHBondContact O-N 3.4Å; V51-E54 HydrophobicContact CG2-CG 3.94Å; V51-E54 WeakPolarHBondContact O-CB 3.18Å; V51-E54 WeakPolarHBondContact O-CG 3.28Å; V51-E54 PolarHBondContact O-N 3.04Å; V51-Y58 HydrophobicContact CG2-CE1 4.09Å; V51-W59 HydrophobicContact CG1-CH2 4.03Å; V51-W59 HydrophobicContact CG1-CZ2 4.28Å; V51-W59 HydrophobicContact CG2-CH2 3.92Å; V51-W59 HydrophobicContact CG2-CZ2 4Å; V51-W59 WeakPolarHBondContact O-CZ2 3.39Å; V51-Y170 HydrophobicContact CG2-CE1 4.36Å
52E95.5Very high96.9Very high124 Ų12462.7 Ų62.758%0.57931%0.312SS*.Hα-helixtrans-62.8-25.8-179.8-65.4-177.9-178.500112.8P46 P49 E54P46-E52 HydrophobicContact CB-CG 3.68Å; P46-E52 HydrophobicContact CG-CG 3.93Å; P49-E52 WeakPolarHBondContact O-CB 3.38Å; P49-E52 PolarHBondContact O-N 2.95Å; P49-E52 VanDerWaalsContact O-N 3.1Å; E52-E54 PolarHBondContact O-N 3.2Å
53Q94.5Very high97Very high122 Ų12261.6 Ų61.657%0.5730%0.304SS*.THydrogen-bonded Turntrans-71-11175.668-178.716.400114.2W50 V51 N173W50-Q53 WeakPolarHBondContact O-CG 3.36Å; V51-Q53 PolarHBondContact O-N 3.4Å; Q53-N173 VanDerWaalsContact NE2-CB 3.27Å; Q53-N173 PolarHBondContact NE2-ND2 3.09Å; Q53-N173 PolarHBondContact NE2-OD1 2.82Å
54E96.6Very high97Very high11 Ų1159.3 Ų59.35%0.05130%0.3CS..SBendtrans-66.2137.2174.7-65.6-62.7163.500110.8V51 E52 Y58 W59 R169 N173V51-E54 HydrophobicContact CG2-CG 3.94Å; V51-E54 WeakPolarHBondContact O-CB 3.18Å; V51-E54 WeakPolarHBondContact O-CG 3.28Å; V51-E54 PolarHBondContact O-N 3.04Å; E52-E54 PolarHBondContact O-N 3.2Å; E54-Y58 HydrophobicContact CB-CD1 3.5Å; E54-Y58 HydrophobicContact CB-CD2 4.45Å; E54-Y58 HydrophobicContact CB-CE1 4.1Å; E54-Y58 HydrophobicContact CB-CG 3.72Å; E54-Y58 HydrophobicContact CG-CD1 4.05Å; E54-Y58 HydrophobicContact CG-CD2 4.43Å; E54-Y58 HydrophobicContact CG-CE1 4.25Å; E54-Y58 HydrophobicContact CG-CG 4.16Å; E54-W59 PolarHBondContact O-NE1 3.48Å; E54-R169 IonicContact OE1-CZ 2.77Å; E54-R169 IonicContact OE1-NE 3.53Å; E54-R169 PolarHBondContact OE1-NE 3.2Å; E54-R169 IonicContact OE1-NH2 3.81Å; E54-R169 PolarHBondContact OE1-NH2 3.35Å; E54-R169 IonicContact OE2-CZ 3.31Å; E54-R169 IonicContact OE2-NE 2.95Å; E54-R169 IonicContact OE2-NH2 3.5Å; E54-R169 PolarHBondContact OE2-NH2 3.17Å; E54-N173 PolarHBondContact OE1-ND2 3.09Å
55G95.9Very high97Very high30 Ų3062.4 Ų62.431%0.30931%0.312SS..  trans-69.4169.2-174.400000114.5E57 Y58 W59G55-E57 PolarHBondContact O-N 3.18Å; G55-Y58 WeakPolarHBondContact O-CB 3.42Å; G55-Y58 PolarHBondContact O-N 3.04Å; G55-W59 VanDerWaalsContact O-CD1 3.31Å; G55-W59 PolarHBondContact O-N 3.41Å
56P96.8Very high97.1Very high86 Ų8660.4 Ų60.456%0.55830%0.303SS*.Hα-helixtrans-58.1-33.7179.824.5-33.5000112.8Y58 W59 D60P56-Y58 VanDerWaalsContact C-N 3.26Å; P56-Y58 PolarHBondContact O-N 2.69Å; P56-W59 PolarHBondContact O-N 3.24Å; P56-D60 WeakPolarHBondContact O-CB 3.48Å; P56-D60 PolarHBondContact O-N 2.88Å
57E97.4Very high97.1Very high144 Ų14462.1 Ų62.167%0.67331%0.305SS*.Hα-helixtrans-63.5-33.1178.7-57.985.5177.600112.4G55 R61G55-E57 PolarHBondContact O-N 3.18Å; E57-R61 WeakPolarHBondContact O-CB 3.32Å; E57-R61 PolarHBondContact O-N 3.06Å; E57-R61 VanDerWaalsContact O-N 3.08Å
58Y97.5Very high97.1Very high8 Ų864.1 Ų64.13%0.03131%0.313CS..Hα-helixtrans-65-53.1174169.7-92.7000110.1V51 E54 G55 P56 D60 R61 E62 W166 Y170V51-Y58 HydrophobicContact CG2-CE1 4.09Å; E54-Y58 HydrophobicContact CB-CD1 3.5Å; E54-Y58 HydrophobicContact CB-CD2 4.45Å; E54-Y58 HydrophobicContact CB-CE1 4.1Å; E54-Y58 HydrophobicContact CB-CG 3.72Å; E54-Y58 HydrophobicContact CG-CD1 4.05Å; E54-Y58 HydrophobicContact CG-CD2 4.43Å; E54-Y58 HydrophobicContact CG-CE1 4.25Å; E54-Y58 HydrophobicContact CG-CG 4.16Å; G55-Y58 WeakPolarHBondContact O-CB 3.42Å; G55-Y58 PolarHBondContact O-N 3.04Å; P56-Y58 VanDerWaalsContact C-N 3.26Å; P56-Y58 PolarHBondContact O-N 2.69Å; Y58-D60 VanDerWaalsContact C-N 3.34Å; Y58-D60 PolarHBondContact O-N 3.26Å; Y58-R61 PolarHBondContact O-N 3.36Å; Y58-E62 HydrophobicContact CD1-CG 4.36Å; Y58-E62 HydrophobicContact CD2-CG 4.13Å; Y58-E62 HydrophobicContact CE1-CG 3.98Å; Y58-E62 HydrophobicContact CE2-CG 3.72Å; Y58-E62 HydrophobicContact CG-CG 4.42Å; Y58-E62 WeakPolarHBondContact O-CG 3.1Å; Y58-E62 PolarHBondContact O-N 2.91Å; Y58-W166 AromaticContact CD2-CH2 3.58Å; Y58-W166 HydrophobicContact CD2-CH2 3.58Å; Y58-W166 HydrophobicContact CD2-CZ2 4.33Å; Y58-W166 AromaticContact CD2-CZ3 3.77Å; Y58-W166 HydrophobicContact CD2-CZ3 3.77Å; Y58-W166 HydrophobicContact CE2-CE3 4.24Å; Y58-W166 AromaticContact CE2-CH2 3.93Å; Y58-W166 HydrophobicContact CE2-CH2 3.93Å; Y58-W166 AromaticContact CE2-CZ3 3.72Å; Y58-W166 HydrophobicContact CE2-CZ3 3.72Å; Y58-Y170 VanDerWaalsContact CE2-OH 3.23Å; Y58-Y170 WeakPolarHBondContact CE2-OH 3.45Å; Y58-Y170 PolarHBondContact OH-OH 2.8Å
59W98Very high97.2Very high38 Ų3865.9 Ų65.914%0.14432%0.32CS..Hα-helixtrans-64.2-38-177-67.1111.9000113V33 P46 V51 E54 G55 P56 T63V33-W59 HydrophobicContact CG1-CH2 3.91Å; V33-W59 HydrophobicContact CG1-CZ3 3.81Å; P46-W59 HydrophobicContact CB-CH2 3.62Å; P46-W59 HydrophobicContact CB-CZ2 3.81Å; P46-W59 HydrophobicContact CG-CH2 4.25Å; P46-W59 HydrophobicContact CG-CZ2 4.26Å; V51-W59 HydrophobicContact CG1-CH2 4.03Å; V51-W59 HydrophobicContact CG1-CZ2 4.28Å; V51-W59 HydrophobicContact CG2-CH2 3.92Å; V51-W59 HydrophobicContact CG2-CZ2 4Å; V51-W59 WeakPolarHBondContact O-CZ2 3.39Å; E54-W59 PolarHBondContact O-NE1 3.48Å; G55-W59 VanDerWaalsContact O-CD1 3.31Å; G55-W59 PolarHBondContact O-N 3.41Å; P56-W59 PolarHBondContact O-N 3.24Å; W59-T63 WeakPolarHBondContact O-CB 3.34Å; W59-T63 PolarHBondContact O-N 2.97Å; W59-T63 PolarHBondContact O-OG1 3.39Å
60D98Very high97.4Very high107 Ų10761.8 Ų61.857%0.57230%0.295SS*.Hα-helixtrans-64.3-46.7174.3-76.7-19.7000110.8P56 Y58 T63 Q64P56-D60 WeakPolarHBondContact O-CB 3.48Å; P56-D60 PolarHBondContact O-N 2.88Å; Y58-D60 VanDerWaalsContact C-N 3.34Å; Y58-D60 PolarHBondContact O-N 3.26Å; D60-T63 PolarHBondContact O-N 2.94Å; D60-Q64 VanDerWaalsContact O-CG 3.3Å; D60-Q64 WeakPolarHBondContact O-CG 3.43Å; D60-Q64 PolarHBondContact O-N 2.8Å
61R97.6Very high97.5Very high102 Ų10266.1 Ų66.139%0.38532%0.316SS..Hα-helixtrans-62.8-47.2178.9-174.5-176.167.4-150.1-5.3112.1E57 Y58 Q64 K65E57-R61 WeakPolarHBondContact O-CB 3.32Å; E57-R61 PolarHBondContact O-N 3.06Å; E57-R61 VanDerWaalsContact O-N 3.08Å; Y58-R61 PolarHBondContact O-N 3.36Å; R61-Q64 PolarHBondContact O-N 2.95Å; R61-K65 WeakPolarHBondContact O-CG 3.32Å; R61-K65 PolarHBondContact O-N 3.49Å
62E97.7Very high97.5Very high9 Ų968 Ų684%0.04233%0.331CS..Hα-helixtrans-65.4-41.9178.7-62.8-41.8119.100111Y58 Q64 K65 Y66Y58-E62 HydrophobicContact CD1-CG 4.36Å; Y58-E62 HydrophobicContact CD2-CG 4.13Å; Y58-E62 HydrophobicContact CE1-CG 3.98Å; Y58-E62 HydrophobicContact CE2-CG 3.72Å; Y58-E62 HydrophobicContact CG-CG 4.42Å; Y58-E62 WeakPolarHBondContact O-CG 3.1Å; Y58-E62 PolarHBondContact O-N 2.91Å; E62-Q64 VanDerWaalsContact C-N 3.3Å; E62-Q64 PolarHBondContact O-N 2.7Å; E62-K65 WeakPolarHBondContact O-CB 3.23Å; E62-K65 PolarHBondContact O-N 2.67Å; E62-K65 IonicContact OE1-NZ 3.71Å; E62-K65 PolarHBondContact OE1-NZ 2.72Å; E62-K65 VanDerWaalsContact OE2-CD 3.32Å; E62-K65 WeakPolarHBondContact OE2-CD 3.27Å; E62-K65 IonicContact OE2-NZ 3.26Å; E62-K65 PolarHBondContact OE2-NZ 2.98Å; E62-K65 VanDerWaalsContact OE2-NZ 3.12Å; E62-Y66 HydrophobicContact CB-CE2 4.02Å; E62-Y66 WeakPolarHBondContact O-CD2 3.42Å; E62-Y66 PolarHBondContact O-N 2.81Å
63T98.3Very high97.6Very high12 Ų1262.3 Ų62.37%0.07431%0.305CS..Hα-helixtrans-56.8-43.1173.5-64.10000112.2R43 G44 W59 D60 Y66 K67R43-T63 HydrophobicContact CB-CG2 4.19Å; G44-T63 PolarHBondContact N-OG1 2.94Å; W59-T63 WeakPolarHBondContact O-CB 3.34Å; W59-T63 PolarHBondContact O-N 2.97Å; W59-T63 PolarHBondContact O-OG1 3.39Å; D60-T63 PolarHBondContact O-N 2.94Å; T63-Y66 PolarHBondContact O-N 3.38Å; T63-K67 HydrophobicContact CG2-CD 4.17Å; T63-K67 WeakPolarHBondContact O-CG 3.41Å; T63-K67 PolarHBondContact O-N 3.06Å
64Q98.3Very high97.7Very high106 Ų10659.6 Ų59.650%0.49529%0.289SS..Hα-helixtrans-69.2-32177-68.5-59.4-27.700112.9D60 R61 E62 R68D60-Q64 VanDerWaalsContact O-CG 3.3Å; D60-Q64 WeakPolarHBondContact O-CG 3.43Å; D60-Q64 PolarHBondContact O-N 2.8Å; R61-Q64 PolarHBondContact O-N 2.95Å; E62-Q64 VanDerWaalsContact C-N 3.3Å; E62-Q64 PolarHBondContact O-N 2.7Å; Q64-R68 WeakPolarHBondContact O-CB 3.36Å; Q64-R68 WeakPolarHBondContact O-CG 3.23Å; Q64-R68 PolarHBondContact O-N 2.89Å; Q64-R68 VanDerWaalsContact O-N 3.08Å; Q64-R68 PolarHBondContact O-NE 2.62Å
65K97.6Very high97.8Very high72 Ų7262 Ų6231%0.31331%0.305SS..Hα-helixtrans-64.5-50.4171.8-72.6171.8179.4171.70110.8R61 E62 K67 R68 Q69R61-K65 WeakPolarHBondContact O-CG 3.32Å; R61-K65 PolarHBondContact O-N 3.49Å; E62-K65 WeakPolarHBondContact O-CB 3.23Å; E62-K65 PolarHBondContact O-N 2.67Å; E62-K65 IonicContact OE1-NZ 3.71Å; E62-K65 PolarHBondContact OE1-NZ 2.72Å; E62-K65 VanDerWaalsContact OE2-CD 3.32Å; E62-K65 WeakPolarHBondContact OE2-CD 3.27Å; E62-K65 IonicContact OE2-NZ 3.26Å; E62-K65 PolarHBondContact OE2-NZ 2.98Å; E62-K65 VanDerWaalsContact OE2-NZ 3.12Å; K65-K67 VanDerWaalsContact C-N 3.32Å; K65-K67 PolarHBondContact O-N 2.94Å; K65-R68 PolarHBondContact O-N 2.85Å; K65-R68 VanDerWaalsContact O-N 3.13Å; K65-Q69 PolarHBondContact O-N 3.19Å
66Y98.4Very high97.9Very high6 Ų663.2 Ų63.22%0.02430%0.304CS..Hα-helixtrans-58-43.2177.8-62.3-49.9000112.5F21 S23 V33 F35 E62 T63 R68 Q69 A70F21-Y66 HydrophobicContact CE1-CD1 4.44Å; S23-Y66 WeakPolarHBondContact OG-CE1 3.17Å; V33-Y66 WeakPolarHBondContact CG2-OH 3.49Å; F35-Y66 HydrophobicContact CB-CD1 4.13Å; F35-Y66 HydrophobicContact CB-CD2 3.6Å; F35-Y66 HydrophobicContact CB-CE2 4.03Å; F35-Y66 HydrophobicContact CB-CG 3.67Å; F35-Y66 HydrophobicContact CD1-CG 4.35Å; F35-Y66 AromaticContact CD2-CD2 3.68Å; F35-Y66 HydrophobicContact CD2-CD2 3.68Å; F35-Y66 AromaticContact CD2-CG 3.89Å; F35-Y66 HydrophobicContact CD2-CG 3.89Å; F35-Y66 HydrophobicContact CG-CD1 4.49Å; F35-Y66 AromaticContact CG-CD2 3.82Å; F35-Y66 HydrophobicContact CG-CD2 3.82Å; F35-Y66 AromaticContact CG-CG 3.71Å; F35-Y66 HydrophobicContact CG-CG 3.71Å; E62-Y66 HydrophobicContact CB-CE2 4.02Å; E62-Y66 WeakPolarHBondContact O-CD2 3.42Å; E62-Y66 PolarHBondContact O-N 2.81Å; T63-Y66 PolarHBondContact O-N 3.38Å; Y66-R68 PolarHBondContact O-N 2.8Å; Y66-Q69 PolarHBondContact O-N 2.93Å; Y66-A70 WeakPolarHBondContact O-CB 3.32Å; Y66-A70 PolarHBondContact O-N 2.95Å
67K98.3Very high98Very high85 Ų8559.4 Ų59.437%0.3728%0.279SS..Hα-helixtrans-63.6-39.6177-74.3178.3178.9176.60112.7F35 P42 T63 K65 Q71F35-K67 HydrophobicContact CE2-CG 4.33Å; F35-K67 HydrophobicContact CZ-CG 4.11Å; P42-K67 WeakPolarHBondContact O-CE 3.33Å; P42-K67 PolarHBondContact O-NZ 2.98Å; T63-K67 HydrophobicContact CG2-CD 4.17Å; T63-K67 WeakPolarHBondContact O-CG 3.41Å; T63-K67 PolarHBondContact O-N 3.06Å; K65-K67 VanDerWaalsContact C-N 3.32Å; K65-K67 PolarHBondContact O-N 2.94Å; K67-Q71 WeakPolarHBondContact O-CG 3.4Å; K67-Q71 PolarHBondContact O-N 2.96Å
68R98.3Very high97.9Very high161 Ų16158.5 Ų58.561%0.60827%0.27SS*.Hα-helixtrans-66.1-43.3174.9-76.9-175.3-69.3168.9-0.9111.4Q64 K65 Y66 Q71 A72Q64-R68 WeakPolarHBondContact O-CB 3.36Å; Q64-R68 WeakPolarHBondContact O-CG 3.23Å; Q64-R68 PolarHBondContact O-N 2.89Å; Q64-R68 VanDerWaalsContact O-N 3.08Å; Q64-R68 PolarHBondContact O-NE 2.62Å; K65-R68 PolarHBondContact O-N 2.85Å; K65-R68 VanDerWaalsContact O-N 3.13Å; Y66-R68 PolarHBondContact O-N 2.8Å; R68-Q71 PolarHBondContact O-N 2.9Å; R68-A72 PolarHBondContact O-N 3.07Å
69Q98.3Very high97.9Very high43 Ų4363 Ų6320%0.20129%0.289CS..Hα-helixtrans-63.4-44.6177.7-170.558.336.900111.8D8 F21 K65 Y66 Q71 A72 D73 W96D8-Q69 WeakPolarHBondContact OD2-CG 3.35Å; F21-Q69 HydrophobicContact CE2-CB 4.26Å; F21-Q69 HydrophobicContact CE2-CG 3.72Å; F21-Q69 HydrophobicContact CZ-CB 3.92Å; F21-Q69 HydrophobicContact CZ-CG 3.72Å; K65-Q69 PolarHBondContact O-N 3.19Å; Y66-Q69 PolarHBondContact O-N 2.93Å; Q69-Q71 VanDerWaalsContact C-N 3.27Å; Q69-Q71 PolarHBondContact O-N 3.38Å; Q69-A72 CarbonylContact O-C 3.55Å; Q69-A72 WeakPolarHBondContact O-CA 3.36Å; Q69-A72 WeakPolarHBondContact O-CB 3.13Å; Q69-A72 PolarHBondContact O-N 3.22Å; Q69-D73 PolarHBondContact NE2-OD1 2.89Å; Q69-D73 PolarHBondContact NE2-OD2 3.02Å; Q69-D73 PolarHBondContact O-N 3Å; Q69-W96 VanDerWaalsContact CD-CZ3 3.41Å; Q69-W96 HydrophobicContact CG-CE3 4.32Å; Q69-W96 HydrophobicContact CG-CZ3 4.1Å
70A98.3Very high97.9Very high17 Ų1761.6 Ų61.614%0.1428%0.284CS..Hα-helixtrans-56.1-39.7175.200000112.7F21 Y66 R74F21-A70 HydrophobicContact CB-CB 3.66Å; F21-A70 HydrophobicContact CD1-CB 3.73Å; F21-A70 HydrophobicContact CD2-CB 4.2Å; F21-A70 HydrophobicContact CE1-CB 4.43Å; F21-A70 HydrophobicContact CG-CB 3.59Å; Y66-A70 WeakPolarHBondContact O-CB 3.32Å; Y66-A70 PolarHBondContact O-N 2.95Å; A70-R74 WeakPolarHBondContact O-CB 3.03Å; A70-R74 PolarHBondContact O-N 2.8Å; A70-R74 VanDerWaalsContact O-N 3.07Å
71Q97.9Very high97.8Very high106 Ų10659.4 Ų59.450%0.49527%0.268SS..Hα-helixtrans-71-38.4174.6-66.2-56.4-41.900112.4K67 R68 Q69 V75K67-Q71 WeakPolarHBondContact O-CG 3.4Å; K67-Q71 PolarHBondContact O-N 2.96Å; R68-Q71 PolarHBondContact O-N 2.9Å; Q69-Q71 VanDerWaalsContact C-N 3.27Å; Q69-Q71 PolarHBondContact O-N 3.38Å; Q71-V75 WeakPolarHBondContact O-CG2 3.45Å; Q71-V75 PolarHBondContact O-N 3.17Å
72A97.9Very high97.8Very high38 Ų3856.6 Ų56.631%0.31427%0.271SS..Hα-helixtrans-61.7-47.1175.100000111R68 Q69 R74 V75 N76R68-A72 PolarHBondContact O-N 3.07Å; Q69-A72 CarbonylContact O-C 3.55Å; Q69-A72 WeakPolarHBondContact O-CA 3.36Å; Q69-A72 WeakPolarHBondContact O-CB 3.13Å; Q69-A72 PolarHBondContact O-N 3.22Å; A72-R74 PolarHBondContact O-N 2.95Å; A72-V75 CarbonylContact O-C 3.6Å; A72-V75 WeakPolarHBondContact O-CA 3.19Å; A72-V75 WeakPolarHBondContact O-CB 3.09Å; A72-V75 PolarHBondContact O-N 3.35Å; A72-N76 PolarHBondContact O-N 2.89Å; A72-N76 PolarHBondContact O-ND2 2.84Å
73D97.9Very high97.8Very high6 Ų658.9 Ų58.93%0.03228%0.28CS..Hα-helixtrans-67.2-35.5-179.5-72.5-17.2000112.8A10 F21 Q69 V75 N76 L77 L94A10-D73 HydrophobicContact CB-CB 3.62Å; F21-D73 VanDerWaalsContact CE2-OD2 3.24Å; F21-D73 WeakPolarHBondContact CE2-OD2 2.93Å; Q69-D73 PolarHBondContact NE2-OD1 2.89Å; Q69-D73 PolarHBondContact NE2-OD2 3.02Å; Q69-D73 PolarHBondContact O-N 3Å; D73-V75 VanDerWaalsContact C-N 3.27Å; D73-V75 PolarHBondContact O-N 3.04Å; D73-N76 PolarHBondContact O-N 3.36Å; D73-L77 WeakPolarHBondContact O-CB 3.29Å; D73-L77 VanDerWaalsContact O-CG 3.3Å; D73-L77 WeakPolarHBondContact O-CG 3.27Å; D73-L77 PolarHBondContact O-N 3.3Å; D73-L94 HydrophobicContact CB-CD2 4.18Å
74R97.6Very high97.7Very high64 Ų6461.5 Ų61.524%0.24229%0.289CS..Hα-helixtrans-56.1-43.2169.3175.9-171.8-178.9-158.80.6111.9E18 P19 A70 A72 R78E18-R74 IonicContact OE1-CZ 3.67Å; E18-R74 VanDerWaalsContact OE1-CZ 3.22Å; E18-R74 IonicContact OE1-NE 3.12Å; E18-R74 IonicContact OE1-NH2 3.76Å; E18-R74 PolarHBondContact OE1-NH2 3.49Å; E18-R74 WeakPolarHBondContact OE2-CD 3.31Å; E18-R74 IonicContact OE2-CZ 3.97Å; E18-R74 IonicContact OE2-NE 3.69Å; E18-R74 PolarHBondContact OE2-NE 2.91Å; E18-R74 IonicContact OE2-NH2 2.72Å; E18-R74 PolarHBondContact OE2-NH2 3.4Å; P19-R74 HydrophobicContact CG-CB 4.35Å; P19-R74 HydrophobicContact CG-CG 4.2Å; A70-R74 WeakPolarHBondContact O-CB 3.03Å; A70-R74 PolarHBondContact O-N 2.8Å; A70-R74 VanDerWaalsContact O-N 3.07Å; A72-R74 PolarHBondContact O-N 2.95Å; R74-R78 VanDerWaalsContact CZ-NH2 3.29Å
75V97.6Very high97.6Very high62 Ų6263.7 Ų63.738%0.37630%0.304SS..Hα-helixtrans-71.3-40.5176.6173.80000110.8Q71 A72 D73 R78 K79Q71-V75 WeakPolarHBondContact O-CG2 3.45Å; Q71-V75 PolarHBondContact O-N 3.17Å; A72-V75 CarbonylContact O-C 3.6Å; A72-V75 WeakPolarHBondContact O-CA 3.19Å; A72-V75 WeakPolarHBondContact O-CB 3.09Å; A72-V75 PolarHBondContact O-N 3.35Å; D73-V75 VanDerWaalsContact C-N 3.27Å; D73-V75 PolarHBondContact O-N 3.04Å; V75-R78 PolarHBondContact O-N 3.21Å; V75-K79 HydrophobicContact CG1-CD 4.27Å; V75-K79 PolarHBondContact O-N 2.87Å; V75-K79 VanDerWaalsContact O-N 3.09Å
76N98Very high97.6Very high55 Ų5563.1 Ų63.129%0.29430%0.302SS..Hα-helixtrans-64.6-42.3180-67.6-25.9000111.8A72 D73 R78 K79 L80 L94A72-N76 PolarHBondContact O-N 2.89Å; A72-N76 PolarHBondContact O-ND2 2.84Å; D73-N76 PolarHBondContact O-N 3.36Å; N76-R78 VanDerWaalsContact C-N 3.28Å; N76-R78 PolarHBondContact O-N 2.66Å; N76-K79 WeakPolarHBondContact O-CB 3.49Å; N76-K79 PolarHBondContact O-N 3.41Å; N76-K79 VanDerWaalsContact O-N 3.07Å; N76-L80 WeakPolarHBondContact O-CB 3.43Å; N76-L80 VanDerWaalsContact O-CG 3.29Å; N76-L80 WeakPolarHBondContact O-CG 3.4Å; N76-L80 PolarHBondContact O-N 2.88Å; N76-L94 HydrophobicContact CB-CD2 3.72Å
77L98.2Very high97.4Very high7 Ų766.6 Ų66.64%0.03733%0.327CS..Hα-helixtrans-55.6-41.3174.3-77.5167.1000112.1A10 P19 D73 R81 H92 L94 Y117A10-L77 HydrophobicContact CB-CD1 3.88Å; P19-L77 HydrophobicContact CB-CD1 3.65Å; P19-L77 HydrophobicContact CG-CD1 3.82Å; D73-L77 WeakPolarHBondContact O-CB 3.29Å; D73-L77 VanDerWaalsContact O-CG 3.3Å; D73-L77 WeakPolarHBondContact O-CG 3.27Å; D73-L77 PolarHBondContact O-N 3.3Å; L77-R81 WeakPolarHBondContact O-CB 3.37Å; L77-R81 PolarHBondContact O-N 3.3Å; L77-R81 VanDerWaalsContact O-N 3.08Å; L77-H92 HydrophobicContact CD2-CB 4.26Å; L77-L94 HydrophobicContact CD2-CB 3.7Å; L77-L94 HydrophobicContact CG-CB 4.15Å; L77-Y117 HydrophobicContact CD2-CE2 4.05Å
78R96.3Very high97Very high125 Ų12568.8 Ų68.847%0.47234%0.339SS..Hα-helixtrans-67.7-40.6175.6-64.7177.2-166.7158.2-0.1112.5E18 R74 V75 N76 G82E18-R78 IonicContact OE2-NH2 3.69Å; R74-R78 VanDerWaalsContact CZ-NH2 3.29Å; V75-R78 PolarHBondContact O-N 3.21Å; N76-R78 VanDerWaalsContact C-N 3.28Å; N76-R78 PolarHBondContact O-N 2.66Å; R78-G82 PolarHBondContact O-N 2.85Å
79K97Very high96.7Very high103 Ų10368.1 Ų68.145%0.44835%0.348SS..Hα-helixtrans-65-48177.8-73.3175179.4168.30111.3V75 N76 G82 Y83V75-K79 HydrophobicContact CG1-CD 4.27Å; V75-K79 PolarHBondContact O-N 2.87Å; V75-K79 VanDerWaalsContact O-N 3.09Å; N76-K79 WeakPolarHBondContact O-CB 3.49Å; N76-K79 PolarHBondContact O-N 3.41Å; N76-K79 VanDerWaalsContact O-N 3.07Å; K79-G82 CarbonylContact O-C 3.6Å; K79-G82 WeakPolarHBondContact O-CA 3.28Å; K79-G82 PolarHBondContact O-N 2.87Å; K79-G82 VanDerWaalsContact O-N 3.09Å; K79-Y83 WeakPolarHBondContact O-CD1 3.4Å; K79-Y83 PolarHBondContact O-N 2.79Å
80L97.9Very high96.4Very high8 Ų867 Ų674%0.04235%0.348CS..Hα-helixtrans-60.3-47.9179.8-70.3168.7000110.6N76 G82 Y83 Y84 L94 Y117 Y122N76-L80 WeakPolarHBondContact O-CB 3.43Å; N76-L80 VanDerWaalsContact O-CG 3.29Å; N76-L80 WeakPolarHBondContact O-CG 3.4Å; N76-L80 PolarHBondContact O-N 2.88Å; L80-G82 PolarHBondContact O-N 2.87Å; L80-Y83 HydrophobicContact CD2-CD2 4.45Å; L80-Y83 PolarHBondContact O-N 3.39Å; L80-Y84 HydrophobicContact CD2-CE2 4.3Å; L80-Y84 WeakPolarHBondContact O-CD2 3.39Å; L80-Y84 PolarHBondContact O-N 2.82Å; L80-L94 HydrophobicContact CD1-CD1 3.84Å; L80-L94 HydrophobicContact CD1-CD2 4.23Å; L80-L94 HydrophobicContact CD1-CG 4.49Å; L80-Y117 HydrophobicContact CB-CD1 4.37Å; L80-Y117 HydrophobicContact CB-CD2 4.19Å; L80-Y117 HydrophobicContact CB-CE1 4.02Å; L80-Y117 HydrophobicContact CB-CE2 3.86Å; L80-Y117 HydrophobicContact CB-CG 4.43Å; L80-Y117 HydrophobicContact CD1-CD2 3.61Å; L80-Y117 HydrophobicContact CD1-CE2 3.97Å; L80-Y117 HydrophobicContact CD1-CG 4.04Å; L80-Y117 HydrophobicContact CG-CD2 4.45Å; L80-Y122 HydrophobicContact CD2-CD1 4.4Å; L80-Y122 HydrophobicContact CD2-CD2 4.18Å; L80-Y122 HydrophobicContact CD2-CE1 3.79Å; L80-Y122 HydrophobicContact CD2-CE2 3.5Å; L80-Y122 WeakPolarHBondContact CD2-OH 3.38Å
81R96.6Very high96.4Very high60 Ų6069.9 Ų69.923%0.22637%0.367CS..Hα-helixtrans-51.6-42.2173.2-170.4-172.666.9-178.58112.3L77 N85 Q86 E88L77-R81 WeakPolarHBondContact O-CB 3.37Å; L77-R81 PolarHBondContact O-N 3.3Å; L77-R81 VanDerWaalsContact O-N 3.08Å; R81-N85 PolarHBondContact O-N 2.97Å; R81-N85 VanDerWaalsContact O-N 3.13Å; R81-Q86 HydrophobicContact CG-CB 3.74Å; R81-Q86 WeakPolarHBondContact CG-O 3.46Å; R81-Q86 PolarHBondContact O-N 2.79Å; R81-E88 IonicContact CZ-OE1 3.64Å; R81-E88 IonicContact NH1-OE1 3.15Å; R81-E88 IonicContact NH2-OE1 3.24Å; R81-E88 PolarHBondContact NH2-OE1 2.81Å
82G96.5Very high96.4Very high44 Ų4465.5 Ų65.545%0.45435%0.346SS..Hα-helixtrans-66.2-43.617500000113.6R78 K79 L80 Y84 N85R78-G82 PolarHBondContact O-N 2.85Å; K79-G82 CarbonylContact O-C 3.6Å; K79-G82 WeakPolarHBondContact O-CA 3.28Å; K79-G82 PolarHBondContact O-N 2.87Å; K79-G82 VanDerWaalsContact O-N 3.09Å; L80-G82 PolarHBondContact O-N 2.87Å; G82-Y84 VanDerWaalsContact C-N 3.27Å; G82-Y84 PolarHBondContact O-N 2.89Å; G82-N85 PolarHBondContact O-N 2.03Å
83Y97.8Very high96.4Very high57 Ų5765.5 Ų65.522%0.22434%0.343CS..Hα-helixtrans-62.3-35.6177.9-66.3-9.9000112.7K79 L80 I141 K145K79-Y83 WeakPolarHBondContact O-CD1 3.4Å; K79-Y83 PolarHBondContact O-N 2.79Å; L80-Y83 HydrophobicContact CD2-CD2 4.45Å; L80-Y83 PolarHBondContact O-N 3.39Å; Y83-I141 HydrophobicContact CD1-CD1 4.25Å; Y83-I141 HydrophobicContact CD2-CD1 4.47Å; Y83-I141 HydrophobicContact CE1-CD1 4.46Å; Y83-I141 HydrophobicContact CE1-CG2 4.17Å; Y83-I141 HydrophobicContact CE2-CB 4.16Å; Y83-I141 HydrophobicContact CE2-CG2 4.05Å; Y83-I141 HydrophobicContact CG-CD1 4.26Å; Y83-K145 PolarHBondContact OH-NZ 3.28Å
84Y97.7Very high96.4Very high66 Ų6665.7 Ų65.726%0.25934%0.343SS..THydrogen-bonded Turntrans-91.33.9178.6-67.7-72.5000114.1L80 G82 Q86 Y117 Y122 D136 A138L80-Y84 HydrophobicContact CD2-CE2 4.3Å; L80-Y84 WeakPolarHBondContact O-CD2 3.39Å; L80-Y84 PolarHBondContact O-N 2.82Å; G82-Y84 VanDerWaalsContact C-N 3.27Å; G82-Y84 PolarHBondContact O-N 2.89Å; Y84-Q86 PolarHBondContact O-N 2.81Å; Y84-Y117 AromaticContact CD2-CD1 3.69Å; Y84-Y117 HydrophobicContact CD2-CD1 3.69Å; Y84-Y117 AromaticContact CD2-CE1 3.47Å; Y84-Y117 HydrophobicContact CD2-CE1 3.47Å; Y84-Y117 VanDerWaalsContact CD2-CE1 3.47Å; Y84-Y117 AromaticContact CE2-CD1 3.43Å; Y84-Y117 HydrophobicContact CE2-CD1 3.43Å; Y84-Y117 VanDerWaalsContact CE2-CD1 3.43Å; Y84-Y117 AromaticContact CE2-CE1 3.74Å; Y84-Y117 HydrophobicContact CE2-CE1 3.74Å; Y84-Y117 HydrophobicContact CE2-CG 4.43Å; Y84-Y117 HydrophobicContact CG-CE1 4.39Å; Y84-Y122 HydrophobicContact CE2-CD2 4.48Å; Y84-Y122 HydrophobicContact CE2-CE2 4.19Å; Y84-Y122 VanDerWaalsContact OH-CD2 3.27Å; Y84-Y122 WeakPolarHBondContact OH-CD2 3.41Å; Y84-Y122 WeakPolarHBondContact OH-CE2 3.4Å; Y84-D136 VanDerWaalsContact CE1-OD2 3.29Å; Y84-D136 WeakPolarHBondContact CE1-OD2 3.49Å; Y84-D136 PolarHBondContact OH-OD1 3.18Å; Y84-D136 PolarHBondContact OH-OD2 3.36Å; Y84-A138 HydrophobicContact CD1-CB 4.16Å; Y84-A138 HydrophobicContact CE1-CB 3.59Å; Y84-A138 HydrophobicContact CE2-CB 3.99Å; Y84-A138 VanDerWaalsContact CZ-CB 3.5Å
85N96.6Very high96.5Very high152 Ų15266.3 Ų66.381%0.81335%0.349SS*.THydrogen-bonded Turntrans52.139.8-177.8-56.1-59.6000113.5R81 G82R81-N85 PolarHBondContact O-N 2.97Å; R81-N85 VanDerWaalsContact O-N 3.13Å; G82-N85 PolarHBondContact O-N 2.03Å
86Q96.8Very high96.6Very high60 Ų6064.8 Ų64.828%0.2834%0.336SS..  trans-87.8151.7-177-70.1165.1-34.200112R81 Y84 H92 Y117 D118R81-Q86 HydrophobicContact CG-CB 3.74Å; R81-Q86 WeakPolarHBondContact CG-O 3.46Å; R81-Q86 PolarHBondContact O-N 2.79Å; Y84-Q86 PolarHBondContact O-N 2.81Å; Q86-H92 PolarHBondContact NE2-CE1 2.86Å; Q86-H92 PolarHBondContact OE1-CE1 3.31Å; Q86-Y117 PolarHBondContact OE1-OH 3.25Å; Q86-D118 PolarHBondContact NE2-OD2 2.81Å
87S94Very high96.6Very high79 Ų7963.1 Ų63.155%0.55233%0.327SS*.  trans-68.7154.5179.758.40000113D89 G90S87-D89 VanDerWaalsContact C-N 3.3Å; S87-D89 PolarHBondContact O-N 2.81Å; S87-G90 PolarHBondContact O-N 2.98Å
88E90.5Very high96.6Very high132 Ų13264 Ų6462%0.61733%0.33SS*.THydrogen-bonded Turntrans-70.5-24179.3-57.2-150.8125.400114.4P14 R81 G90P14-E88 WeakPolarHBondContact CB-O 3.18Å; P14-E88 WeakPolarHBondContact CG-O 3.37Å; R81-E88 IonicContact CZ-OE1 3.64Å; R81-E88 IonicContact NH1-OE1 3.15Å; R81-E88 IonicContact NH2-OE1 3.24Å; R81-E88 PolarHBondContact NH2-OE1 2.81Å; E88-G90 PolarHBondContact O-N 3.35Å
89D90.8Very high96.7Very high147 Ų14758.1 Ų58.179%0.78631%0.308SS*.THydrogen-bonded Turntrans-78.7-8.3-177.4-57.3-40000113.2S87S87-D89 VanDerWaalsContact C-N 3.3Å; S87-D89 PolarHBondContact O-N 2.81Å
90G92.8Very high96.8Very high20 Ų2053.2 Ų53.221%0.20629%0.287CS..  trans-77.2131179.700000112.9P14 S87 E88 H92P14-G90 WeakPolarHBondContact CG-O 3.22Å; S87-G90 PolarHBondContact O-N 2.98Å; E88-G90 PolarHBondContact O-N 3.35Å; G90-H92 PolarHBondContact O-CD2 3.1Å
91S97.2Very high96.8Very high76 Ų7654 Ų5453%0.53129%0.291SS..  trans-78.6131.2164.2-177.30000108.9S12S12-S91 PolarHBondContact O-OG 2.74Å
92H98.3Very high96.9Very high15 Ų1551.3 Ų51.37%0.06928%0.281CS..  trans-130.3151.4-177.6-64.4-74.1000110.7V11 S12 L77 Q86 G90 Y117 D118V11-H92 WeakPolarHBondContact CA-O 3.3Å; S12-H92 PolarHBondContact N-O 2.86Å; S12-H92 PolarHBondContact OG-N 3.17Å; S12-H92 PolarHBondContact OG-O 3.43Å; L77-H92 HydrophobicContact CD2-CB 4.26Å; Q86-H92 PolarHBondContact NE2-CE1 2.86Å; Q86-H92 PolarHBondContact OE1-CE1 3.31Å; G90-H92 PolarHBondContact O-CD2 3.1Å; H92-Y117 HydrophobicContact CB-CE2 3.82Å; H92-Y117 WeakPolarHBondContact CB-OH 3.13Å; H92-Y117 AromaticContact CG-CZ 3.97Å; H92-Y117 AromaticContact ND1-CZ 3.89Å; H92-Y117 PolarHBondContact ND1-OH 3.22Å; H92-D118 WeakPolarHBondContact CA-OD1 3.41Å; H92-D118 WeakPolarHBondContact CB-OD1 3.19Å; H92-D118 IonicContact CE1-OD2 3.28Å; H92-D118 IonicContact CG-OD1 3.22Å; H92-D118 IonicContact CG-OD2 2.97Å; H92-D118 IonicContact ND1-OD1 2.61Å; H92-D118 PolarHBondContact ND1-OD1 2.82Å; H92-D118 IonicContact ND1-OD2 2.68Å; H92-D118 PolarHBondContact ND1-OD2 2.7Å
93T98.7Very high96.9Very high38 Ų3849.6 Ų49.623%0.23326%0.264CS..EExtended strand (participates in β ladder)trans-123.1126.9-176.3-58.20000110T9 A10 V11 Q95 Y117 D118T9-T93 HydrophobicContact CG2-CG2 4.06Å; A10-T93 WeakPolarHBondContact O-CA 3.43Å; V11-T93 HydrophobicContact CG2-CG2 4.21Å; T93-Q95 HydrophobicContact CG2-CG 3.9Å; T93-Y117 CarbonylContact O-C 3.51Å; T93-Y117 WeakPolarHBondContact O-CA 3.45Å; T93-Y117 VanDerWaalsContact O-CD2 3.29Å; T93-Y117 WeakPolarHBondContact O-CD2 3.47Å; T93-D118 PolarHBondContact N-OD1 3.07Å; T93-D118 PolarHBondContact O-N 3.42Å
94L98.8Very high96.6Very high9 Ų952.7 Ų52.75%0.04729%0.291CS..EExtended strand (participates in β ladder)trans-111.1126.8169.3175.760.9000107.9T9 A10 D73 N76 L77 L80 A116T9-L94 WeakPolarHBondContact CA-O 3.46Å; A10-L94 HydrophobicContact CB-CB 4.46Å; A10-L94 PolarHBondContact N-O 2.94Å; A10-L94 PolarHBondContact O-N 2.99Å; D73-L94 HydrophobicContact CB-CD2 4.18Å; N76-L94 HydrophobicContact CB-CD2 3.72Å; L77-L94 HydrophobicContact CD2-CB 3.7Å; L77-L94 HydrophobicContact CG-CB 4.15Å; L80-L94 HydrophobicContact CD1-CD1 3.84Å; L80-L94 HydrophobicContact CD1-CD2 4.23Å; L80-L94 HydrophobicContact CD1-CG 4.49Å; L94-A116 WeakPolarHBondContact CD1-O 3.48Å
95Q98.8Very high96.4Very high77 Ų7754.4 Ų54.436%0.3630%0.304SS..EExtended strand (participates in β ladder)trans-120.8144.5177.2-64.3172.4-9000109.4D8 T9 T93 S115 A116D8-Q95 CarbonylContact O-C 3.57Å; D8-Q95 VanDerWaalsContact O-CA 3.31Å; D8-Q95 WeakPolarHBondContact O-CA 3.37Å; T9-Q95 HydrophobicContact CG2-CG 4.12Å; T93-Q95 HydrophobicContact CG2-CG 3.9Å; Q95-S115 CarbonylContact O-C 3.59Å; Q95-S115 VanDerWaalsContact O-CA 3.22Å; Q95-S115 WeakPolarHBondContact O-CA 3.41Å; Q95-A116 HydrophobicContact CB-CB 4.37Å; Q95-A116 PolarHBondContact N-O 3.38Å; Q95-A116 PolarHBondContact O-N 2.95Å
96W98.7Very high96.2Very high30 Ų3048.1 Ų48.111%0.11428%0.275CS..EExtended strand (participates in β ladder)trans-142.1126.8179.6-178.838.4000110.3F7 D8 Q69 Y98 D113 Q114 W155F7-W96 WeakPolarHBondContact CA-O 3.36Å; D8-W96 HydrophobicContact CB-CB 4.24Å; D8-W96 HydrophobicContact CB-CE3 4.37Å; D8-W96 PolarHBondContact N-O 2.93Å; D8-W96 PolarHBondContact O-N 2.89Å; Q69-W96 VanDerWaalsContact CD-CZ3 3.41Å; Q69-W96 HydrophobicContact CG-CE3 4.32Å; Q69-W96 HydrophobicContact CG-CZ3 4.1Å; W96-Y98 AromaticContact CD2-CD1 3.76Å; W96-Y98 HydrophobicContact CD2-CD1 3.76Å; W96-Y98 HydrophobicContact CD2-CE1 4.23Å; W96-Y98 AromaticContact CE2-CD1 3.62Å; W96-Y98 AromaticContact CE3-CD1 3.87Å; W96-Y98 HydrophobicContact CE3-CD1 3.87Å; W96-Y98 AromaticContact CE3-CE1 3.85Å; W96-Y98 HydrophobicContact CE3-CE1 3.85Å; W96-Y98 HydrophobicContact CG-CD1 4.48Å; W96-Y98 AromaticContact CH2-CD1 3.84Å; W96-Y98 HydrophobicContact CH2-CD1 3.84Å; W96-Y98 AromaticContact CH2-CE1 3.89Å; W96-Y98 HydrophobicContact CH2-CE1 3.89Å; W96-Y98 AromaticContact CZ2-CD1 3.68Å; W96-Y98 HydrophobicContact CZ2-CD1 3.68Å; W96-Y98 HydrophobicContact CZ2-CE1 4.23Å; W96-Y98 HydrophobicContact CZ2-CG 4.23Å; W96-Y98 AromaticContact CZ3-CD1 3.9Å; W96-Y98 HydrophobicContact CZ3-CD1 3.9Å; W96-Y98 AromaticContact CZ3-CE1 3.65Å; W96-Y98 HydrophobicContact CZ3-CE1 3.65Å; W96-D113 PolarHBondContact NE1-OD1 3.2Å; W96-Q114 WeakPolarHBondContact CA-O 3.19Å; W96-W155 AromaticContact CH2-CH2 3.3Å; W96-W155 HydrophobicContact CH2-CH2 3.3Å; W96-W155 AromaticContact CH2-CZ2 3.38Å; W96-W155 HydrophobicContact CH2-CZ2 3.38Å; W96-W155 HydrophobicContact CH2-CZ3 4.49Å; W96-W155 AromaticContact CZ2-CH2 3.18Å; W96-W155 HydrophobicContact CZ2-CH2 3.18Å; W96-W155 AromaticContact CZ2-CZ2 3.14Å; W96-W155 HydrophobicContact CZ2-CZ2 3.14Å; W96-W155 HydrophobicContact CZ2-CZ3 4.14Å
97M98.7Very high96.2Very high20 Ų2053.5 Ų53.510%0.09929%0.293CS..EExtended strand (participates in β ladder)trans-120.7128.6175.6-173.9-78.7-71.200109.1Y6 F7 Y112 D113 Q114Y6-M97 WeakPolarHBondContact O-CA 3.32Å; F7-M97 HydrophobicContact CD1-CB 3.98Å; F7-M97 HydrophobicContact CD1-CG 3.57Å; F7-M97 HydrophobicContact CE1-CB 4.19Å; F7-M97 HydrophobicContact CE1-CG 3.36Å; F7-M97 HydrophobicContact CG-CG 4.38Å; F7-M97 HydrophobicContact CZ-CG 4.01Å; M97-Y112 HydrophobicContact CE-CD1 4.12Å; M97-Y112 HydrophobicContact CE-CG 4.17Å; M97-D113 WeakPolarHBondContact O-CA 3.45Å; M97-Q114 HydrophobicContact CB-CG 4.09Å; M97-Q114 HydrophobicContact CE-CG 3.7Å; M97-Q114 PolarHBondContact N-O 2.97Å; M97-Q114 PolarHBondContact O-N 3.26Å
98Y98.8Very high96.3Very high27 Ų2752.1 Ų52.111%0.10628%0.279CS..EExtended strand (participates in β ladder)trans-141.8157.3173.966.1-91.7000110.9R5 Y6 W96 Y112 W155 Y158R5-Y98 WeakPolarHBondContact CA-O 3.49Å; Y6-Y98 HydrophobicContact CD2-CD2 4.21Å; Y6-Y98 AromaticContact CD2-CE2 3.48Å; Y6-Y98 HydrophobicContact CD2-CE2 3.48Å; Y6-Y98 VanDerWaalsContact CD2-CE2 3.48Å; Y6-Y98 AromaticContact CD2-CZ 3.88Å; Y6-Y98 HydrophobicContact CE2-CE2 4.3Å; Y6-Y98 HydrophobicContact CG-CE1 4.41Å; Y6-Y98 AromaticContact CG-CE2 3.76Å; Y6-Y98 HydrophobicContact CG-CE2 3.76Å; Y6-Y98 AromaticContact CG-CZ 3.65Å; Y6-Y98 PolarHBondContact N-O 2.83Å; Y6-Y98 PolarHBondContact O-N 3.49Å; Y6-Y98 VanDerWaalsContact O-N 3.17Å; W96-Y98 AromaticContact CD2-CD1 3.76Å; W96-Y98 HydrophobicContact CD2-CD1 3.76Å; W96-Y98 HydrophobicContact CD2-CE1 4.23Å; W96-Y98 AromaticContact CE2-CD1 3.62Å; W96-Y98 AromaticContact CE3-CD1 3.87Å; W96-Y98 HydrophobicContact CE3-CD1 3.87Å; W96-Y98 AromaticContact CE3-CE1 3.85Å; W96-Y98 HydrophobicContact CE3-CE1 3.85Å; W96-Y98 HydrophobicContact CG-CD1 4.48Å; W96-Y98 AromaticContact CH2-CD1 3.84Å; W96-Y98 HydrophobicContact CH2-CD1 3.84Å; W96-Y98 AromaticContact CH2-CE1 3.89Å; W96-Y98 HydrophobicContact CH2-CE1 3.89Å; W96-Y98 AromaticContact CZ2-CD1 3.68Å; W96-Y98 HydrophobicContact CZ2-CD1 3.68Å; W96-Y98 HydrophobicContact CZ2-CE1 4.23Å; W96-Y98 HydrophobicContact CZ2-CG 4.23Å; W96-Y98 AromaticContact CZ3-CD1 3.9Å; W96-Y98 HydrophobicContact CZ3-CD1 3.9Å; W96-Y98 AromaticContact CZ3-CE1 3.65Å; W96-Y98 HydrophobicContact CZ3-CE1 3.65Å; Y98-Y112 WeakPolarHBondContact CA-O 3.37Å; Y98-Y112 WeakPolarHBondContact CB-O 3.47Å; Y98-W155 HydrophobicContact CD2-CZ3 4.13Å; Y98-W155 HydrophobicContact CG-CH2 4.4Å; Y98-W155 HydrophobicContact CG-CZ3 4.19Å; Y98-Y158 AromaticContact CD2-CE1 3.93Å; Y98-Y158 HydrophobicContact CD2-CE1 3.93Å; Y98-Y158 HydrophobicContact CE2-CE1 4.14Å
99G98.6Very high96.7Very high0 Ų051.8 Ų51.80%028%0.281CS..EExtended strand (participates in β ladder)trans160-175.2179.900000114.6M4 G111 Y112 L159M4-G99 CarbonylContact O-C 3.57Å; M4-G99 WeakPolarHBondContact O-CA 3.49Å; G99-G111 CarbonylContact O-C 3.5Å; G99-G111 WeakPolarHBondContact O-CA 3.14Å; G99-Y112 PolarHBondContact N-O 2.98Å; G99-Y112 PolarHBondContact O-N 2.83Å; G99-L159 WeakPolarHBondContact O-CD2 3.25Å
100C98.7Very high97Very high0 Ų049 Ų490%026%0.26CS..EExtended strand (participates in β ladder)trans-137.1146.3-176.154.10000111.7S3 M4 L108 R110 C163S3-C100 WeakPolarHBondContact CA-O 3.48Å; M4-C100 PolarHBondContact N-O 3.38Å; M4-C100 PolarHBondContact O-N 3.41Å; C100-L108 HydrophobicContact CB-CD1 3.58Å; C100-R110 CarbonylContact C-O 3.55Å; C100-R110 WeakPolarHBondContact CA-O 3.42Å; C100-C163 HydrophobicContact CB-CB 3.94Å; C100-C163 WeakPolarHBondContact CB-SG 3.37Å; C100-C163 PolarHBondContact N-SG 3.45Å; C100-C163 VanDerWaalsContact N-SG 3.36Å; C100-C163 WeakPolarHBondContact SG-CB 3.48Å; C100-C163 CovalentContact SG-SG 2.04Å; C100-C163 PolarHBondContact SG-SG 3.18Å
101D98.5Very high97.3Very high25 Ų2548.3 Ų48.313%0.13425%0.252CS..EExtended strand (participates in β ladder)trans-108.7136.5171.9-60.4-12.2000109.1H2 S3 R5 L109 R110 Y112H2-D101 CarbonylContact O-C 3.53Å; H2-D101 WeakPolarHBondContact O-CA 3.5Å; S3-D101 WeakPolarHBondContact CB-OD1 3.2Å; R5-D101 IonicContact CZ-OD1 3.5Å; R5-D101 IonicContact NE-OD1 3.88Å; R5-D101 PolarHBondContact NE-OD1 3.38Å; R5-D101 VanDerWaalsContact NH2-CG 3.32Å; R5-D101 IonicContact NH2-OD1 3.46Å; R5-D101 PolarHBondContact NH2-OD1 3.45Å; R5-D101 IonicContact NH2-OD2 2.75Å; R5-D101 PolarHBondContact NH2-OD2 3.39Å; R5-D101 VanDerWaalsContact NH2-OD2 3.09Å; D101-L109 HydrophobicContact CB-CB 4.4Å; D101-L109 PolarHBondContact O-N 3.24Å; D101-R110 HydrophobicContact CB-CB 4.4Å; D101-R110 PolarHBondContact N-O 3.35Å; D101-R110 PolarHBondContact O-N 2.86Å; D101-Y112 WeakPolarHBondContact OD2-CE2 3.16Å; D101-Y112 PolarHBondContact OD2-OH 2.97Å
102L98.1Very high97.3Very high3 Ų346.5 Ų46.52%0.01623%0.234CC..EExtended strand (participates in β ladder)trans-108.6135.6174-54.8-177000111S1 H2 R107 V164 L167 R168S1-L102 WeakPolarHBondContact CA-O 3.29Å; S1-L102 VanDerWaalsContact CB-O 3.31Å; S1-L102 WeakPolarHBondContact CB-O 3.5Å; H2-L102 PolarHBondContact N-O 2.88Å; H2-L102 VanDerWaalsContact N-O 3.09Å; H2-L102 PolarHBondContact O-N 3.34Å; L102-R107 VanDerWaalsContact CA-O 3.25Å; L102-R107 WeakPolarHBondContact CA-O 3.42Å; L102-V164 HydrophobicContact CD1-CG1 4.47Å; L102-V164 HydrophobicContact CD2-CB 4.18Å; L102-V164 HydrophobicContact CD2-CG1 3.82Å; L102-V164 HydrophobicContact CD2-CG2 3.8Å; L102-L167 HydrophobicContact CB-CD2 4.5Å; L102-L167 HydrophobicContact CD1-CB 4.24Å; L102-L167 HydrophobicContact CD1-CD2 3.67Å; L102-L167 HydrophobicContact CD1-CG 3.73Å; L102-L167 HydrophobicContact CD2-CD2 4.49Å; L102-L167 HydrophobicContact CG-CD2 3.56Å; L102-L167 HydrophobicContact CG-CG 4.22Å; L102-R168 HydrophobicContact CD1-CG 3.96Å
103G96Very high97.3Very high9 Ų945.8 Ų45.89%0.09323%0.231CC..  trans-67.6173.3166.900000112.3D105 G106 R107G103-D105 PolarHBondContact O-N 3.2Å; G103-G106 WeakPolarHBondContact O-CA 3.5Å; G103-G106 PolarHBondContact O-N 2.93Å; G103-R107 PolarHBondContact N-O 3.27Å
104P92.7Very high97.3Very high122 Ų12247.9 Ų47.979%0.79224%0.238SC*.THydrogen-bonded Turntrans-59.8-24.6176.2-23.434.3000114.1G106P104-G106 PolarHBondContact O-N 2.95Å
105D93.1Very high97.3Very high102 Ų10248.2 Ų48.255%0.54524%0.241SC..THydrogen-bonded Turntrans-80.22.4174.268.7-14.8000113.2G103 R107G103-D105 PolarHBondContact O-N 3.2Å; D105-R107 PolarHBondContact O-N 2.9Å; D105-R107 WeakPolarHBondContact OD1-CB 3.49Å; D105-R107 PolarHBondContact OD1-N 3.39Å; D105-R107 WeakPolarHBondContact OD2-CD 3.29Å; D105-R107 WeakPolarHBondContact OD2-CG 3.29Å; D105-R107 IonicContact OD2-NE 3.78Å
106G91.9Very high97.3Very high19 Ų1945.4 Ų45.420%0.19623%0.231CC..SBendtrans72.69.3-179.100000114.1G103 P104 R168G103-G106 WeakPolarHBondContact O-CA 3.5Å; G103-G106 PolarHBondContact O-N 2.93Å; P104-G106 PolarHBondContact O-N 2.95Å; G106-R168 VanDerWaalsContact O-CZ 3.29Å; G106-R168 PolarHBondContact O-NE 2.97Å; G106-R168 PolarHBondContact O-NH2 3.01Å
107R95.6Very high97.3Very high173 Ų17344.4 Ų44.465%0.65323%0.227SC*.SBendtrans-87.9154.4177.9-62.8-173.4-178.1165.6-3111.2L102 G103 D105 L109L102-R107 VanDerWaalsContact CA-O 3.25Å; L102-R107 WeakPolarHBondContact CA-O 3.42Å; G103-R107 PolarHBondContact N-O 3.27Å; D105-R107 PolarHBondContact O-N 2.9Å; D105-R107 WeakPolarHBondContact OD1-CB 3.49Å; D105-R107 PolarHBondContact OD1-N 3.39Å; D105-R107 WeakPolarHBondContact OD2-CD 3.29Å; D105-R107 WeakPolarHBondContact OD2-CG 3.29Å; D105-R107 IonicContact OD2-NE 3.78Å; R107-L109 PolarHBondContact O-N 2.92Å; R107-L109 VanDerWaalsContact O-N 3.14Å
108L97.9Very high97.3Very high51 Ų5146.4 Ų46.427%0.26724%0.238SC..EExtended strand (participates in β ladder)trans-57.8119174.8-176.871.7000109.6C100 R110 L129 E160 V164C100-L108 HydrophobicContact CB-CD1 3.58Å; L108-R110 WeakPolarHBondContact CD1-O 3.25Å; L108-L129 HydrophobicContact CD2-CD1 4.16Å; L108-E160 HydrophobicContact CD2-CB 4.37Å; L108-E160 HydrophobicContact CD2-CG 3.64Å; L108-V164 HydrophobicContact CB-CG2 4.04Å; L108-V164 HydrophobicContact CD1-CG2 4.09Å
109L97.6Very high97.3Very high125 Ų12548 Ų4865%0.65426%0.262SS*.EExtended strand (participates in β ladder)trans-91.7-44.2171.7-177.965.1000110.3D101 R107D101-L109 HydrophobicContact CB-CB 4.4Å; D101-L109 PolarHBondContact O-N 3.24Å; R107-L109 PolarHBondContact O-N 2.92Å; R107-L109 VanDerWaalsContact O-N 3.14Å
110R97.6Very high97.2Very high89 Ų8955.7 Ų55.734%0.33630%0.296SS..EExtended strand (participates in β ladder)trans-156.1142.8-177.3-173.9162.61741389.1111.6C100 D101 L108 Y112 E127C100-R110 CarbonylContact C-O 3.55Å; C100-R110 WeakPolarHBondContact CA-O 3.42Å; D101-R110 HydrophobicContact CB-CB 4.4Å; D101-R110 PolarHBondContact N-O 3.35Å; D101-R110 PolarHBondContact O-N 2.86Å; L108-R110 WeakPolarHBondContact CD1-O 3.25Å; R110-Y112 HydrophobicContact CB-CE2 4.07Å; R110-Y112 VanDerWaalsContact CD-CZ 3.44Å; R110-Y112 VanDerWaalsContact CD-OH 3.23Å; R110-Y112 WeakPolarHBondContact CD-OH 3.37Å; R110-Y112 HydrophobicContact CG-CD2 4.39Å; R110-Y112 HydrophobicContact CG-CE1 4.08Å; R110-Y112 HydrophobicContact CG-CE2 3.72Å; R110-E127 VanDerWaalsContact CZ-CD 3.4Å; R110-E127 VanDerWaalsContact CZ-CG 3.44Å; R110-E127 IonicContact CZ-OE1 2.77Å; R110-E127 IonicContact NH1-OE1 3.51Å; R110-E127 PolarHBondContact NH1-OE1 3.41Å; R110-E127 IonicContact NH1-OE2 3.69Å; R110-E127 IonicContact NH2-OE1 3.49Å; R110-E127 PolarHBondContact NH2-OE1 2.92Å
111G98.3Very high97.2Very high5 Ų561.9 Ų61.95%0.05233%0.329CS..EExtended strand (participates in β ladder)trans-112.7153.3170.100000111.1G99G99-G111 CarbonylContact O-C 3.5Å; G99-G111 WeakPolarHBondContact O-CA 3.14Å
112Y98.5Very high97.3Very high37 Ų3761.1 Ų61.115%0.14532%0.324CS..EExtended strand (participates in β ladder)trans-134.2140.7-179.2-54.6-97.4000110.5R5 M97 Y98 G99 D101 R110R5-Y112 VanDerWaalsContact CZ-CE2 3.48Å; R5-Y112 PolarHBondContact NH2-OH 2.62Å; M97-Y112 HydrophobicContact CE-CD1 4.12Å; M97-Y112 HydrophobicContact CE-CG 4.17Å; Y98-Y112 WeakPolarHBondContact CA-O 3.37Å; Y98-Y112 WeakPolarHBondContact CB-O 3.47Å; G99-Y112 PolarHBondContact N-O 2.98Å; G99-Y112 PolarHBondContact O-N 2.83Å; D101-Y112 WeakPolarHBondContact OD2-CE2 3.16Å; D101-Y112 PolarHBondContact OD2-OH 2.97Å; R110-Y112 HydrophobicContact CB-CE2 4.07Å; R110-Y112 VanDerWaalsContact CD-CZ 3.44Å; R110-Y112 VanDerWaalsContact CD-OH 3.23Å; R110-Y112 WeakPolarHBondContact CD-OH 3.37Å; R110-Y112 HydrophobicContact CG-CD2 4.39Å; R110-Y112 HydrophobicContact CG-CE1 4.08Å; R110-Y112 HydrophobicContact CG-CE2 3.72Å
113D98.5Very high97.3Very high1 Ų161.1 Ų61.11%0.00532%0.324CS..EExtended strand (participates in β ladder)trans-152.8109.4164173.6-3.6000106.5W96 M97 A124 L125 W132 W155W96-D113 PolarHBondContact NE1-OD1 3.2Å; M97-D113 WeakPolarHBondContact O-CA 3.45Å; D113-A124 CarbonylContact O-C 3.58Å; D113-A124 WeakPolarHBondContact O-CA 2.96Å; D113-L125 HydrophobicContact CB-CB 3.9Å; D113-L125 HydrophobicContact CB-CD2 4.18Å; D113-L125 PolarHBondContact O-N 3.18Å; D113-W132 WeakPolarHBondContact OD2-CH2 3.29Å; D113-W155 HydrophobicContact CB-CD2 4.39Å; D113-W155 HydrophobicContact CB-CE3 4.45Å; D113-W155 VanDerWaalsContact OD2-CD1 3.24Å; D113-W155 PolarHBondContact OD2-NE1 3.13Å; D113-W155 VanDerWaalsContact OD2-NE1 3.09Å
114Q98.6Very high97.4Very high82 Ų8262.1 Ų62.138%0.38333%0.332SS..EExtended strand (participates in β ladder)trans-144.9132-177.360.2-171.557.100111.8W96 M97 I123 A124W96-Q114 WeakPolarHBondContact CA-O 3.19Å; M97-Q114 HydrophobicContact CB-CG 4.09Å; M97-Q114 HydrophobicContact CE-CG 3.7Å; M97-Q114 PolarHBondContact N-O 2.97Å; M97-Q114 PolarHBondContact O-N 3.26Å; Q114-I123 WeakPolarHBondContact CA-O 3.43Å; Q114-A124 HydrophobicContact CB-CB 3.87Å
115S98.6Very high97.7Very high16 Ų1657 Ų5711%0.11230%0.297CS..EExtended strand (participates in β ladder)trans-112.8146.5177.4-50.10000111.6Q95 Y122 I123Q95-S115 CarbonylContact O-C 3.59Å; Q95-S115 VanDerWaalsContact O-CA 3.22Å; Q95-S115 WeakPolarHBondContact O-CA 3.41Å; S115-Y122 WeakPolarHBondContact O-CB 3.13Å; S115-Y122 PolarHBondContact O-N 2.85Å; S115-I123 PolarHBondContact N-O 2.93Å; S115-I123 PolarHBondContact O-N 3.18Å
116A98.8Very high98Very high17 Ų1754.3 Ų54.314%0.1428%0.283CS..EExtended strand (participates in β ladder)trans-126.6145.8172.500000110.6L94 Q95 K120L94-A116 WeakPolarHBondContact CD1-O 3.48Å; Q95-A116 HydrophobicContact CB-CB 4.37Å; Q95-A116 PolarHBondContact N-O 3.38Å; Q95-A116 PolarHBondContact O-N 2.95Å; A116-K120 CarbonylContact C-O 3.54Å; A116-K120 WeakPolarHBondContact CA-O 3.28Å; A116-K120 VanDerWaalsContact CB-O 3.25Å; A116-K120 WeakPolarHBondContact CB-O 3.47Å
117Y98.8Very high98.3Very high10 Ų1059.9 Ų59.94%0.03930%0.304CS..EExtended strand (participates in β ladder)trans-125.2128.4177.1-174.6-119.7000110.3L77 L80 Y84 Q86 H92 T93 G119 K120L77-Y117 HydrophobicContact CD2-CE2 4.05Å; L80-Y117 HydrophobicContact CB-CD1 4.37Å; L80-Y117 HydrophobicContact CB-CD2 4.19Å; L80-Y117 HydrophobicContact CB-CE1 4.02Å; L80-Y117 HydrophobicContact CB-CE2 3.86Å; L80-Y117 HydrophobicContact CB-CG 4.43Å; L80-Y117 HydrophobicContact CD1-CD2 3.61Å; L80-Y117 HydrophobicContact CD1-CE2 3.97Å; L80-Y117 HydrophobicContact CD1-CG 4.04Å; L80-Y117 HydrophobicContact CG-CD2 4.45Å; Y84-Y117 AromaticContact CD2-CD1 3.69Å; Y84-Y117 HydrophobicContact CD2-CD1 3.69Å; Y84-Y117 AromaticContact CD2-CE1 3.47Å; Y84-Y117 HydrophobicContact CD2-CE1 3.47Å; Y84-Y117 VanDerWaalsContact CD2-CE1 3.47Å; Y84-Y117 AromaticContact CE2-CD1 3.43Å; Y84-Y117 HydrophobicContact CE2-CD1 3.43Å; Y84-Y117 VanDerWaalsContact CE2-CD1 3.43Å; Y84-Y117 AromaticContact CE2-CE1 3.74Å; Y84-Y117 HydrophobicContact CE2-CE1 3.74Å; Y84-Y117 HydrophobicContact CE2-CG 4.43Å; Y84-Y117 HydrophobicContact CG-CE1 4.39Å; Q86-Y117 PolarHBondContact OE1-OH 3.25Å; H92-Y117 HydrophobicContact CB-CE2 3.82Å; H92-Y117 WeakPolarHBondContact CB-OH 3.13Å; H92-Y117 AromaticContact CG-CZ 3.97Å; H92-Y117 AromaticContact ND1-CZ 3.89Å; H92-Y117 PolarHBondContact ND1-OH 3.22Å; T93-Y117 CarbonylContact O-C 3.51Å; T93-Y117 WeakPolarHBondContact O-CA 3.45Å; T93-Y117 VanDerWaalsContact O-CD2 3.29Å; T93-Y117 WeakPolarHBondContact O-CD2 3.47Å; Y117-G119 PolarHBondContact O-N 3.49Å; Y117-K120 PolarHBondContact N-O 2.81Å; Y117-K120 PolarHBondContact O-N 2.84Å
118D98.3Very high98.3Very high62 Ų6255.3 Ų55.333%0.33229%0.293SS..THydrogen-bonded Turntrans49.739.7-174.6-65.9-22000113.1Q86 H92 T93 K120Q86-D118 PolarHBondContact NE2-OD2 2.81Å; H92-D118 WeakPolarHBondContact CA-OD1 3.41Å; H92-D118 WeakPolarHBondContact CB-OD1 3.19Å; H92-D118 IonicContact CE1-OD2 3.28Å; H92-D118 IonicContact CG-OD1 3.22Å; H92-D118 IonicContact CG-OD2 2.97Å; H92-D118 IonicContact ND1-OD1 2.61Å; H92-D118 PolarHBondContact ND1-OD1 2.82Å; H92-D118 IonicContact ND1-OD2 2.68Å; H92-D118 PolarHBondContact ND1-OD2 2.7Å; T93-D118 PolarHBondContact N-OD1 3.07Å; T93-D118 PolarHBondContact O-N 3.42Å; D118-K120 VanDerWaalsContact C-N 3.31Å; D118-K120 PolarHBondContact O-N 3.2Å
119G97.6Very high98.4Very high59 Ų5953.4 Ų53.461%0.60828%0.283SS*.THydrogen-bonded Turntrans77.39.5177.700000115.2Y117Y117-G119 PolarHBondContact O-N 3.49Å
120K98.5Very high98.4Very high163 Ų16355.5 Ų55.571%0.70928%0.282SS*.EExtended strand (participates in β ladder)trans-117.1145.9176.3-62.9-179.8-178.3177.90110.8A116 Y117 D118 Y122A116-K120 CarbonylContact C-O 3.54Å; A116-K120 WeakPolarHBondContact CA-O 3.28Å; A116-K120 VanDerWaalsContact CB-O 3.25Å; A116-K120 WeakPolarHBondContact CB-O 3.47Å; Y117-K120 PolarHBondContact N-O 2.81Å; Y117-K120 PolarHBondContact O-N 2.84Å; D118-K120 VanDerWaalsContact C-N 3.31Å; D118-K120 PolarHBondContact O-N 3.2Å; K120-Y122 PolarHBondContact O-N 2.83Å
121D98.7Very high98.4Very high130 Ų13053.2 Ų53.270%0.69528%0.279SS*.EExtended strand (participates in β ladder)trans-52.8136.4174.7-66.4-20.9000110.8A135D121-A135 HydrophobicContact CB-CB 4.27Å; D121-A135 WeakPolarHBondContact O-CB 3.22Å
122Y98.8Very high98.4Very high8 Ų853.4 Ų53.43%0.03128%0.279CS..EExtended strand (participates in β ladder)trans-113.4-63.5178-179.6-112.2000110.4L80 Y84 S115 K120 A135 A138 A139 T142L80-Y122 HydrophobicContact CD2-CD1 4.4Å; L80-Y122 HydrophobicContact CD2-CD2 4.18Å; L80-Y122 HydrophobicContact CD2-CE1 3.79Å; L80-Y122 HydrophobicContact CD2-CE2 3.5Å; L80-Y122 WeakPolarHBondContact CD2-OH 3.38Å; Y84-Y122 HydrophobicContact CE2-CD2 4.48Å; Y84-Y122 HydrophobicContact CE2-CE2 4.19Å; Y84-Y122 VanDerWaalsContact OH-CD2 3.27Å; Y84-Y122 WeakPolarHBondContact OH-CD2 3.41Å; Y84-Y122 WeakPolarHBondContact OH-CE2 3.4Å; S115-Y122 WeakPolarHBondContact O-CB 3.13Å; S115-Y122 PolarHBondContact O-N 2.85Å; K120-Y122 PolarHBondContact O-N 2.83Å; Y122-A135 WeakPolarHBondContact O-CB 3.42Å; Y122-A135 PolarHBondContact O-N 2.86Å; Y122-A138 HydrophobicContact CE2-CB 4.44Å; Y122-A138 PolarHBondContact OH-O 3.44Å; Y122-A139 HydrophobicContact CD2-CB 3.77Å; Y122-A139 HydrophobicContact CE1-CB 4.5Å; Y122-A139 VanDerWaalsContact CE2-CA 3.46Å; Y122-A139 HydrophobicContact CE2-CB 3.65Å; Y122-A139 HydrophobicContact CG-CB 4.28Å; Y122-A139 WeakPolarHBondContact O-CB 3.47Å; Y122-T142 HydrophobicContact CE1-CG2 4.23Å; Y122-T142 PolarHBondContact OH-OG1 3.46Å
123I98.8Very high98.4Very high4 Ų455.4 Ų55.42%0.02130%0.295CS..EExtended strand (participates in β ladder)trans-149.8142.8-179.9-162170.7000110.1Q114 S115 W132 T133 T142 Q143 W146Q114-I123 WeakPolarHBondContact CA-O 3.43Å; S115-I123 PolarHBondContact N-O 2.93Å; S115-I123 PolarHBondContact O-N 3.18Å; I123-W132 HydrophobicContact CD1-CB 4.26Å; I123-W132 HydrophobicContact CD1-CD2 4.47Å; I123-W132 HydrophobicContact CD1-CE3 4.27Å; I123-W132 HydrophobicContact CD1-CG 4.49Å; I123-W132 HydrophobicContact CG1-CB 4.32Å; I123-W132 HydrophobicContact CG1-CE3 4.09Å; I123-T133 WeakPolarHBondContact CA-O 3.38Å; I123-T142 HydrophobicContact CD1-CG2 4Å; I123-Q143 HydrophobicContact CD1-CB 3.95Å; I123-W146 HydrophobicContact CD1-CE3 3.96Å; I123-W146 HydrophobicContact CD1-CZ3 4.2Å; I123-W146 HydrophobicContact CG2-CH2 4.04Å; I123-W146 HydrophobicContact CG2-CZ3 3.72Å
124A98.8Very high98.4Very high30 Ų3056.4 Ų56.425%0.24830%0.303CS..EExtended strand (participates in β ladder)trans-137.2140.3177.900000111.7D113 Q114 W132 T133D113-A124 CarbonylContact O-C 3.58Å; D113-A124 WeakPolarHBondContact O-CA 2.96Å; Q114-A124 HydrophobicContact CB-CB 3.87Å; A124-W132 CarbonylContact O-C 3.5Å; A124-W132 WeakPolarHBondContact O-CA 3.39Å; A124-T133 PolarHBondContact N-O 2.64Å; A124-T133 PolarHBondContact O-N 2.97Å
125L98.8Very high98.4Very high14 Ų1455.4 Ų55.47%0.07331%0.309CS..EExtended strand (participates in β ladder)trans-72.3128.3169.1-17566.1000108.6D113 L129 W132 A152 W155 L159D113-L125 HydrophobicContact CB-CB 3.9Å; D113-L125 HydrophobicContact CB-CD2 4.18Å; D113-L125 PolarHBondContact O-N 3.18Å; L125-L129 HydrophobicContact CD2-CB 4.5Å; L125-L129 HydrophobicContact CD2-CD2 3.78Å; L125-L129 HydrophobicContact CG-CD2 4.3Å; L125-W132 HydrophobicContact CB-CE3 3.97Å; L125-W132 HydrophobicContact CB-CH2 4.05Å; L125-W132 HydrophobicContact CB-CZ3 3.61Å; L125-W132 HydrophobicContact CD1-CD2 4.15Å; L125-W132 HydrophobicContact CD1-CE3 4.27Å; L125-W132 HydrophobicContact CD1-CH2 4.02Å; L125-W132 HydrophobicContact CD1-CZ2 3.9Å; L125-W132 HydrophobicContact CD1-CZ3 4.2Å; L125-W132 HydrophobicContact CG-CZ3 4.47Å; L125-A152 HydrophobicContact CD1-CB 3.94Å; L125-W155 HydrophobicContact CD2-CB 4Å; L125-L159 HydrophobicContact CD2-CD1 3.94Å
126N98.6Very high98.4Very high45 Ų4557.2 Ų57.224%0.24132%0.317CS..  trans-72.7162.5179.9-67.7-30000111.3D128 L129 S131 T133N126-D128 PolarHBondContact O-N 2.85Å; N126-L129 WeakPolarHBondContact O-CA 3.27Å; N126-L129 PolarHBondContact O-N 2.8Å; N126-S131 WeakPolarHBondContact CB-O 3.43Å; N126-S131 WeakPolarHBondContact CB-OG 3.2Å; N126-S131 PolarHBondContact N-O 3.23Å; N126-S131 PolarHBondContact ND2-O 3.41Å; N126-S131 PolarHBondContact ND2-OG 2.86Å; N126-T133 PolarHBondContact ND2-OG1 2.91Å; N126-T133 WeakPolarHBondContact OD1-CB 3.43Å; N126-T133 PolarHBondContact OD1-OG1 3.36Å
127E97.8Very high98.4Very high136 Ų13661.7 Ų61.764%0.63634%0.343SS*.THydrogen-bonded Turntrans-58.4-22.2-179.7-66.7178.5-159.500113.8R110 L129R110-E127 VanDerWaalsContact CZ-CD 3.4Å; R110-E127 VanDerWaalsContact CZ-CG 3.44Å; R110-E127 IonicContact CZ-OE1 2.77Å; R110-E127 IonicContact NH1-OE1 3.51Å; R110-E127 PolarHBondContact NH1-OE1 3.41Å; R110-E127 IonicContact NH1-OE2 3.69Å; R110-E127 IonicContact NH2-OE1 3.49Å; R110-E127 PolarHBondContact NH2-OE1 2.92Å; E127-L129 PolarHBondContact O-N 2.95Å
128D97.6Very high98.3Very high78 Ų7861.4 Ų61.442%0.41734%0.343SS..THydrogen-bonded Turntrans-71.5-9174.869.64.1000113.8N126 R130 S131N126-D128 PolarHBondContact O-N 2.85Å; D128-R130 WeakPolarHBondContact O-CG 3.37Å; D128-R130 PolarHBondContact O-N 3.2Å; D128-R130 PolarHBondContact OD1-N 2.99Å; D128-S131 VanDerWaalsContact CG-OG 3.24Å; D128-S131 PolarHBondContact OD1-N 2.86Å; D128-S131 PolarHBondContact OD1-OG 3.46Å; D128-S131 VanDerWaalsContact OD1-OG 3.12Å; D128-S131 WeakPolarHBondContact OD2-CB 3.05Å; D128-S131 PolarHBondContact OD2-OG 3.36Å
129L98.1Very high98.4Very high11 Ų1158.5 Ų58.56%0.05833%0.327CS..SBendtrans53.429.9-174.9-53-178.8000113.4L108 L125 N126 E127 R156 L159 E160L108-L129 HydrophobicContact CD2-CD1 4.16Å; L125-L129 HydrophobicContact CD2-CB 4.5Å; L125-L129 HydrophobicContact CD2-CD2 3.78Å; L125-L129 HydrophobicContact CG-CD2 4.3Å; N126-L129 WeakPolarHBondContact O-CA 3.27Å; N126-L129 PolarHBondContact O-N 2.8Å; E127-L129 PolarHBondContact O-N 2.95Å; L129-R156 HydrophobicContact CB-CB 4.1Å; L129-R156 HydrophobicContact CB-CG 3.92Å; L129-R156 HydrophobicContact CD1-CG 4.22Å; L129-L159 HydrophobicContact CD2-CD1 3.94Å; L129-E160 HydrophobicContact CD1-CG 4.32Å
130R97.8Very high98.4Very high168 Ų16859.1 Ų59.163%0.63431%0.314SS*.SBendtrans-136.4-31-173.9-70.7170.4-172.8-129.27.9113D128 R156D128-R130 WeakPolarHBondContact O-CG 3.37Å; D128-R130 PolarHBondContact O-N 3.2Å; D128-R130 PolarHBondContact OD1-N 2.99Å; R130-R156 VanDerWaalsContact NH2-NH1 3.11Å
131S98.1Very high98.4Very high41 Ų4154.2 Ų54.229%0.28730%0.295SS..  trans-117.7161.5-177.163.10000111.8N126 D128N126-S131 WeakPolarHBondContact CB-O 3.43Å; N126-S131 WeakPolarHBondContact CB-OG 3.2Å; N126-S131 PolarHBondContact N-O 3.23Å; N126-S131 PolarHBondContact ND2-O 3.41Å; N126-S131 PolarHBondContact ND2-OG 2.86Å; D128-S131 VanDerWaalsContact CG-OG 3.24Å; D128-S131 PolarHBondContact OD1-N 2.86Å; D128-S131 PolarHBondContact OD1-OG 3.46Å; D128-S131 VanDerWaalsContact OD1-OG 3.12Å; D128-S131 WeakPolarHBondContact OD2-CB 3.05Å; D128-S131 PolarHBondContact OD2-OG 3.36Å
132W98.8Very high98.4Very high10 Ų1048.9 Ų48.94%0.03827%0.267CS..EExtended strand (participates in β ladder)trans-118.5144.9-178.2-60.791.8000110.8D113 I123 A124 L125 Q143 W146 E151 A152D113-W132 WeakPolarHBondContact OD2-CH2 3.29Å; I123-W132 HydrophobicContact CD1-CB 4.26Å; I123-W132 HydrophobicContact CD1-CD2 4.47Å; I123-W132 HydrophobicContact CD1-CE3 4.27Å; I123-W132 HydrophobicContact CD1-CG 4.49Å; I123-W132 HydrophobicContact CG1-CB 4.32Å; I123-W132 HydrophobicContact CG1-CE3 4.09Å; A124-W132 CarbonylContact O-C 3.5Å; A124-W132 WeakPolarHBondContact O-CA 3.39Å; L125-W132 HydrophobicContact CB-CE3 3.97Å; L125-W132 HydrophobicContact CB-CH2 4.05Å; L125-W132 HydrophobicContact CB-CZ3 3.61Å; L125-W132 HydrophobicContact CD1-CD2 4.15Å; L125-W132 HydrophobicContact CD1-CE3 4.27Å; L125-W132 HydrophobicContact CD1-CH2 4.02Å; L125-W132 HydrophobicContact CD1-CZ2 3.9Å; L125-W132 HydrophobicContact CD1-CZ3 4.2Å; L125-W132 HydrophobicContact CG-CZ3 4.47Å; W132-Q143 HydrophobicContact CB-CG 4.14Å; W132-Q143 PolarHBondContact O-NE2 3.38Å; W132-W146 AromaticContact CD2-CE3 3.86Å; W132-W146 HydrophobicContact CD2-CE3 3.86Å; W132-W146 HydrophobicContact CD2-CZ3 4.38Å; W132-W146 AromaticContact CE2-CE3 3.74Å; W132-W146 AromaticContact CE3-CE3 3.74Å; W132-W146 HydrophobicContact CE3-CE3 3.74Å; W132-W146 AromaticContact CE3-CZ3 3.79Å; W132-W146 HydrophobicContact CE3-CZ3 3.79Å; W132-W146 AromaticContact CH2-CE3 3.44Å; W132-W146 HydrophobicContact CH2-CE3 3.44Å; W132-W146 VanDerWaalsContact CH2-CE3 3.44Å; W132-W146 HydrophobicContact CH2-CH2 4.48Å; W132-W146 AromaticContact CH2-CZ3 3.4Å; W132-W146 HydrophobicContact CH2-CZ3 3.4Å; W132-W146 VanDerWaalsContact CH2-CZ3 3.4Å; W132-W146 HydrophobicContact CZ2-CD2 4.41Å; W132-W146 AromaticContact CZ2-CE3 3.54Å; W132-W146 HydrophobicContact CZ2-CE3 3.54Å; W132-W146 HydrophobicContact CZ2-CZ3 4.02Å; W132-W146 AromaticContact CZ3-CE3 3.56Å; W132-W146 HydrophobicContact CZ3-CE3 3.56Å; W132-W146 HydrophobicContact CZ3-CH2 4.47Å; W132-W146 AromaticContact CZ3-CZ3 3.28Å; W132-W146 HydrophobicContact CZ3-CZ3 3.28Å; W132-E151 HydrophobicContact CZ2-CB 4.24Å; W132-A152 HydrophobicContact CZ2-CB 4.27Å
133T98.8Very high98.4Very high79 Ų7950.4 Ų50.449%0.48527%0.274SS..EExtended strand (participates in β ladder)trans-106.3116.8166.5-66.60000108.9I123 A124 N126I123-T133 WeakPolarHBondContact CA-O 3.38Å; A124-T133 PolarHBondContact N-O 2.64Å; A124-T133 PolarHBondContact O-N 2.97Å; N126-T133 PolarHBondContact ND2-OG1 2.91Å; N126-T133 WeakPolarHBondContact OD1-CB 3.43Å; N126-T133 PolarHBondContact OD1-OG1 3.36Å
134A98.7Very high98.4Very high22 Ų2257.6 Ų57.618%0.18230%0.301CS..EExtended strand (participates in β ladder)trans-94.4131174.300000110.3A139 Q140 Q143A134-A139 HydrophobicContact CB-CB 3.71Å; A134-Q140 HydrophobicContact CB-CG 3.96Å; A134-Q143 HydrophobicContact CB-CB 4.38Å
135A98.5Very high98.3Very high60 Ų6061.5 Ų61.550%0.49631%0.313SS..SBendtrans-73.3-30.6-177.500000113.1D121 Y122D121-A135 HydrophobicContact CB-CB 4.27Å; D121-A135 WeakPolarHBondContact O-CB 3.22Å; Y122-A135 WeakPolarHBondContact O-CB 3.42Å; Y122-A135 PolarHBondContact O-N 2.86Å
136D98.3Very high98.3Very high55 Ų5563.8 Ų63.829%0.29432%0.321SS..SBendtrans-152.4-175.1-179.168.825.5000113.8Y84 A138 A139 Q140Y84-D136 VanDerWaalsContact CE1-OD2 3.29Å; Y84-D136 WeakPolarHBondContact CE1-OD2 3.49Å; Y84-D136 PolarHBondContact OH-OD1 3.18Å; Y84-D136 PolarHBondContact OH-OD2 3.36Å; D136-A138 VanDerWaalsContact C-N 3.3Å; D136-A138 PolarHBondContact O-N 2.85Å; D136-A138 WeakPolarHBondContact OD1-CA 3.3Å; D136-A138 WeakPolarHBondContact OD1-CB 3.39Å; D136-A138 PolarHBondContact OD1-N 3.18Å; D136-A139 PolarHBondContact O-N 2.77Å; D136-A139 PolarHBondContact OD1-N 3.12Å; D136-Q140 WeakPolarHBondContact O-CG 3.33Å; D136-Q140 PolarHBondContact O-N 3.06Å
137T98.1Very high98.3Very high110 Ų11066.2 Ų66.268%0.67533%0.331SS*.Hα-helixtrans-64.8-28.4-178.959.60000114.2
138A98Very high98.3Very high5 Ų563.9 Ų63.94%0.04134%0.335CS..Hα-helixtrans-73-43.5175.100000109.8Y84 Y122 D136 Q140 I141Y84-A138 HydrophobicContact CD1-CB 4.16Å; Y84-A138 HydrophobicContact CE1-CB 3.59Å; Y84-A138 HydrophobicContact CE2-CB 3.99Å; Y84-A138 VanDerWaalsContact CZ-CB 3.5Å; Y122-A138 HydrophobicContact CE2-CB 4.44Å; Y122-A138 PolarHBondContact OH-O 3.44Å; D136-A138 VanDerWaalsContact C-N 3.3Å; D136-A138 PolarHBondContact O-N 2.85Å; D136-A138 WeakPolarHBondContact OD1-CA 3.3Å; D136-A138 WeakPolarHBondContact OD1-CB 3.39Å; D136-A138 PolarHBondContact OD1-N 3.18Å; A138-Q140 VanDerWaalsContact C-N 3.28Å; A138-Q140 PolarHBondContact O-N 3.28Å; A138-I141 VanDerWaalsContact O-CB 3.27Å; A138-I141 WeakPolarHBondContact O-CB 3.49Å; A138-I141 PolarHBondContact O-N 2.88Å
139A98.5Very high98.4Very high0 Ų062.7 Ų62.70%034%0.335CS..Hα-helixtrans-60.6-34.5174.100000113.2Y122 A134 D136 I141 T142 Q143Y122-A139 HydrophobicContact CD2-CB 3.77Å; Y122-A139 HydrophobicContact CE1-CB 4.5Å; Y122-A139 VanDerWaalsContact CE2-CA 3.46Å; Y122-A139 HydrophobicContact CE2-CB 3.65Å; Y122-A139 HydrophobicContact CG-CB 4.28Å; Y122-A139 WeakPolarHBondContact O-CB 3.47Å; A134-A139 HydrophobicContact CB-CB 3.71Å; D136-A139 PolarHBondContact O-N 2.77Å; D136-A139 PolarHBondContact OD1-N 3.12Å; A139-I141 PolarHBondContact O-N 3.37Å; A139-T142 WeakPolarHBondContact O-CA 3.44Å; A139-T142 WeakPolarHBondContact O-CB 3.31Å; A139-T142 PolarHBondContact O-N 3Å; A139-Q143 PolarHBondContact O-N 2.7Å
140Q98.7Very high98.3Very high72 Ų7269.4 Ų69.434%0.33636%0.36SS..Hα-helixtrans-59.6-27.7173.7-73.3174.711.400113A134 D136 A138 R144A134-Q140 HydrophobicContact CB-CG 3.96Å; D136-Q140 WeakPolarHBondContact O-CG 3.33Å; D136-Q140 PolarHBondContact O-N 3.06Å; A138-Q140 VanDerWaalsContact C-N 3.28Å; A138-Q140 PolarHBondContact O-N 3.28Å; Q140-R144 WeakPolarHBondContact O-CG 3.27Å; Q140-R144 PolarHBondContact O-N 2.68Å; Q140-R144 VanDerWaalsContact O-N 3.12Å
141I98.3Very high98.4Very high61 Ų6163.8 Ų63.831%0.31334%0.341SS..Hα-helixtrans-67.1-43.3174-56.8171000110Y83 A138 A139 K145Y83-I141 HydrophobicContact CD1-CD1 4.25Å; Y83-I141 HydrophobicContact CD2-CD1 4.47Å; Y83-I141 HydrophobicContact CE1-CD1 4.46Å; Y83-I141 HydrophobicContact CE1-CG2 4.17Å; Y83-I141 HydrophobicContact CE2-CB 4.16Å; Y83-I141 HydrophobicContact CE2-CG2 4.05Å; Y83-I141 HydrophobicContact CG-CD1 4.26Å; A138-I141 VanDerWaalsContact O-CB 3.27Å; A138-I141 WeakPolarHBondContact O-CB 3.49Å; A138-I141 PolarHBondContact O-N 2.88Å; A139-I141 PolarHBondContact O-N 3.37Å; I141-K145 WeakPolarHBondContact O-CG 3.38Å; I141-K145 PolarHBondContact O-N 3.34Å
142T98.3Very high98.4Very high17 Ų1762.2 Ų62.210%0.10433%0.331CS..Hα-helixtrans-65.5-46.5174.6-69.80000111Y122 I123 A139 R144 K145 W146Y122-T142 HydrophobicContact CE1-CG2 4.23Å; Y122-T142 PolarHBondContact OH-OG1 3.46Å; I123-T142 HydrophobicContact CD1-CG2 4Å; A139-T142 WeakPolarHBondContact O-CA 3.44Å; A139-T142 WeakPolarHBondContact O-CB 3.31Å; A139-T142 PolarHBondContact O-N 3Å; T142-R144 PolarHBondContact O-N 2.99Å; T142-K145 WeakPolarHBondContact O-CB 3.4Å; T142-K145 PolarHBondContact O-N 2.91Å; T142-W146 HydrophobicContact CG2-CD2 3.66Å; T142-W146 HydrophobicContact CG2-CE3 4.12Å; T142-W146 HydrophobicContact CG2-CG 4.06Å; T142-W146 HydrophobicContact CG2-CH2 4.35Å; T142-W146 HydrophobicContact CG2-CZ2 3.91Å; T142-W146 HydrophobicContact CG2-CZ3 4.43Å; T142-W146 PolarHBondContact O-N 2.91Å
143Q98.7Very high98.4Very high40 Ų4067.2 Ų67.219%0.18735%0.354CS..Hα-helixtrans-51.1-53.2178.2175.7174.313.200111.8I123 W132 A134 A139 K145 W146 E147I123-Q143 HydrophobicContact CD1-CB 3.95Å; W132-Q143 HydrophobicContact CB-CG 4.14Å; W132-Q143 PolarHBondContact O-NE2 3.38Å; A134-Q143 HydrophobicContact CB-CB 4.38Å; A139-Q143 PolarHBondContact O-N 2.7Å; Q143-K145 VanDerWaalsContact C-N 3.27Å; Q143-K145 PolarHBondContact O-N 3.29Å; Q143-W146 PolarHBondContact O-N 3.41Å; Q143-W146 VanDerWaalsContact O-N 3.14Å; Q143-E147 HydrophobicContact CG-CG 4.29Å; Q143-E147 VanDerWaalsContact CG-OE1 3.25Å; Q143-E147 WeakPolarHBondContact CG-OE1 3.46Å; Q143-E147 PolarHBondContact NE2-OE1 3.09Å; Q143-E147 WeakPolarHBondContact O-CB 3.33Å; Q143-E147 WeakPolarHBondContact O-CG 3.37Å; Q143-E147 PolarHBondContact O-N 3.27Å
144R98.6Very high98.3Very high155 Ų15569.1 Ų69.159%0.58536%0.358SS*.Hα-helixtrans-60.1-36.5-180-68.1171.4-164.7152.78.8112.7Q140 T142 A148Q140-R144 WeakPolarHBondContact O-CG 3.27Å; Q140-R144 PolarHBondContact O-N 2.68Å; Q140-R144 VanDerWaalsContact O-N 3.12Å; T142-R144 PolarHBondContact O-N 2.99Å; R144-A148 VanDerWaalsContact O-CB 3.31Å; R144-A148 WeakPolarHBondContact O-CB 3.43Å; R144-A148 PolarHBondContact O-N 2.88Å
145K98.2Very high98.3Very high113 Ų11370.2 Ų70.249%0.49136%0.357SS..Hα-helixtrans-67.5-44.3176.8-72.2175.9179.4-177.80111.2Y83 I141 T142 Q143 A148 A149Y83-K145 PolarHBondContact OH-NZ 3.28Å; I141-K145 WeakPolarHBondContact O-CG 3.38Å; I141-K145 PolarHBondContact O-N 3.34Å; T142-K145 WeakPolarHBondContact O-CB 3.4Å; T142-K145 PolarHBondContact O-N 2.91Å; Q143-K145 VanDerWaalsContact C-N 3.27Å; Q143-K145 PolarHBondContact O-N 3.29Å; K145-A148 PolarHBondContact O-N 3.22Å; K145-A149 WeakPolarHBondContact O-CB 3.44Å; K145-A149 PolarHBondContact O-N 3.08Å
146W98.3Very high98.3Very high62 Ų6270.9 Ų70.924%0.23535%0.347CS..Hα-helixtrans-69.8-37.1-179.9-74.23.3000112.6I123 W132 T142 Q143 A149 R150 E151I123-W146 HydrophobicContact CD1-CE3 3.96Å; I123-W146 HydrophobicContact CD1-CZ3 4.2Å; I123-W146 HydrophobicContact CG2-CH2 4.04Å; I123-W146 HydrophobicContact CG2-CZ3 3.72Å; W132-W146 AromaticContact CD2-CE3 3.86Å; W132-W146 HydrophobicContact CD2-CE3 3.86Å; W132-W146 HydrophobicContact CD2-CZ3 4.38Å; W132-W146 AromaticContact CE2-CE3 3.74Å; W132-W146 AromaticContact CE3-CE3 3.74Å; W132-W146 HydrophobicContact CE3-CE3 3.74Å; W132-W146 AromaticContact CE3-CZ3 3.79Å; W132-W146 HydrophobicContact CE3-CZ3 3.79Å; W132-W146 AromaticContact CH2-CE3 3.44Å; W132-W146 HydrophobicContact CH2-CE3 3.44Å; W132-W146 VanDerWaalsContact CH2-CE3 3.44Å; W132-W146 HydrophobicContact CH2-CH2 4.48Å; W132-W146 AromaticContact CH2-CZ3 3.4Å; W132-W146 HydrophobicContact CH2-CZ3 3.4Å; W132-W146 VanDerWaalsContact CH2-CZ3 3.4Å; W132-W146 HydrophobicContact CZ2-CD2 4.41Å; W132-W146 AromaticContact CZ2-CE3 3.54Å; W132-W146 HydrophobicContact CZ2-CE3 3.54Å; W132-W146 HydrophobicContact CZ2-CZ3 4.02Å; W132-W146 AromaticContact CZ3-CE3 3.56Å; W132-W146 HydrophobicContact CZ3-CE3 3.56Å; W132-W146 HydrophobicContact CZ3-CH2 4.47Å; W132-W146 AromaticContact CZ3-CZ3 3.28Å; W132-W146 HydrophobicContact CZ3-CZ3 3.28Å; T142-W146 HydrophobicContact CG2-CD2 3.66Å; T142-W146 HydrophobicContact CG2-CE3 4.12Å; T142-W146 HydrophobicContact CG2-CG 4.06Å; T142-W146 HydrophobicContact CG2-CH2 4.35Å; T142-W146 HydrophobicContact CG2-CZ2 3.91Å; T142-W146 HydrophobicContact CG2-CZ3 4.43Å; T142-W146 PolarHBondContact O-N 2.91Å; Q143-W146 PolarHBondContact O-N 3.41Å; Q143-W146 VanDerWaalsContact O-N 3.14Å; W146-A149 CarbonylContact O-C 3.6Å; W146-A149 PolarHBondContact O-N 2.81Å; W146-R150 WeakPolarHBondContact O-CA 3.4Å; W146-R150 PolarHBondContact O-N 2.98Å; W146-E151 HydrophobicContact CB-CB 3.99Å; W146-E151 HydrophobicContact CB-CG 3.85Å; W146-E151 HydrophobicContact CD2-CG 4.48Å; W146-E151 HydrophobicContact CG-CB 4.16Å; W146-E151 HydrophobicContact CG-CG 3.8Å; W146-E151 PolarHBondContact O-N 2.91Å
147E98.4Very high98.3Very high96 Ų9671.3 Ų71.345%0.44936%0.358SS..Hα-helixtrans-63.6-46.2171.7-73169.8173.400111.3Q143 A149 R150Q143-E147 HydrophobicContact CG-CG 4.29Å; Q143-E147 VanDerWaalsContact CG-OE1 3.25Å; Q143-E147 WeakPolarHBondContact CG-OE1 3.46Å; Q143-E147 PolarHBondContact NE2-OE1 3.09Å; Q143-E147 WeakPolarHBondContact O-CB 3.33Å; Q143-E147 WeakPolarHBondContact O-CG 3.37Å; Q143-E147 PolarHBondContact O-N 3.27Å; E147-A149 VanDerWaalsContact C-N 3.28Å; E147-A149 PolarHBondContact O-N 2.84Å; E147-R150 PolarHBondContact O-N 3.17Å; E147-R150 VanDerWaalsContact O-N 3.12Å
148A98.4Very high98.3Very high87 Ų8768.5 Ų68.572%0.71934%0.335SS*.Hα-helixtrans-62.9-34.5176.800000112.7R144 K145R144-A148 VanDerWaalsContact O-CB 3.31Å; R144-A148 WeakPolarHBondContact O-CB 3.43Å; R144-A148 PolarHBondContact O-N 2.88Å; K145-A148 PolarHBondContact O-N 3.22Å
149A98.1Very high98.3Very high52 Ų5268.3 Ų68.343%0.4333%0.333SS..THydrogen-bonded Turntrans-87.4-2.7176.700000114K145 W146 E147 E151K145-A149 WeakPolarHBondContact O-CB 3.44Å; K145-A149 PolarHBondContact O-N 3.08Å; W146-A149 CarbonylContact O-C 3.6Å; W146-A149 PolarHBondContact O-N 2.81Å; E147-A149 VanDerWaalsContact C-N 3.28Å; E147-A149 PolarHBondContact O-N 2.84Å; A149-E151 VanDerWaalsContact C-N 3.27Å; A149-E151 HydrophobicContact CB-CG 4.06Å; A149-E151 PolarHBondContact O-N 3.28Å
150R97.9Very high98.3Very high152 Ų15272.6 Ų72.657%0.57435%0.354SS*.THydrogen-bonded Turntrans53.839.3-176.8-57.4178.8171.2-150.14.2113.8W146 E147 A152 E153W146-R150 WeakPolarHBondContact O-CA 3.4Å; W146-R150 PolarHBondContact O-N 2.98Å; E147-R150 PolarHBondContact O-N 3.17Å; E147-R150 VanDerWaalsContact O-N 3.12Å; R150-A152 PolarHBondContact O-N 2.87Å; R150-E153 HydrophobicContact CB-CG 4.24Å; R150-E153 WeakPolarHBondContact CD-OE1 3.15Å; R150-E153 IonicContact CZ-OE1 2.77Å; R150-E153 IonicContact NE-OE1 3.46Å; R150-E153 IonicContact NH1-OE1 3.83Å; R150-E153 PolarHBondContact NH1-OE1 2.92Å; R150-E153 IonicContact NH1-OE2 3.59Å; R150-E153 WeakPolarHBondContact O-CB 3.47Å; R150-E153 PolarHBondContact O-N 2.82Å
151E98.1Very high98.3Very high50 Ų5070.3 Ų70.323%0.23435%0.349CS..Hα-helixtrans-59.3-32.5-178-64.9-71.6-176.900112.5W132 W146 A149 E153 Q154 W155W132-E151 HydrophobicContact CZ2-CB 4.24Å; W146-E151 HydrophobicContact CB-CB 3.99Å; W146-E151 HydrophobicContact CB-CG 3.85Å; W146-E151 HydrophobicContact CD2-CG 4.48Å; W146-E151 HydrophobicContact CG-CB 4.16Å; W146-E151 HydrophobicContact CG-CG 3.8Å; W146-E151 PolarHBondContact O-N 2.91Å; A149-E151 VanDerWaalsContact C-N 3.27Å; A149-E151 HydrophobicContact CB-CG 4.06Å; A149-E151 PolarHBondContact O-N 3.28Å; E151-E153 PolarHBondContact O-N 2.88Å; E151-Q154 WeakPolarHBondContact O-CB 3.33Å; E151-Q154 PolarHBondContact O-N 3.29Å; E151-Q154 VanDerWaalsContact O-N 3.1Å; E151-Q154 PolarHBondContact OE2-NE2 3.07Å; E151-W155 PolarHBondContact O-N 2.8Å
152A98.4Very high98.3Very high9 Ų970 Ų707%0.07435%0.35CS..Hα-helixtrans-59.6-33.4176.700000112.6L125 W132 R150 Q154 W155 R156L125-A152 HydrophobicContact CD1-CB 3.94Å; W132-A152 HydrophobicContact CZ2-CB 4.27Å; R150-A152 PolarHBondContact O-N 2.87Å; A152-Q154 VanDerWaalsContact C-N 3.34Å; A152-W155 PolarHBondContact O-N 2.82Å; A152-R156 WeakPolarHBondContact O-CB 3.4Å; A152-R156 PolarHBondContact O-N 2.88Å
153E98.2Very high98.3Very high114 Ų11469.1 Ų69.153%0.53335%0.345SS..Hα-helixtrans-66.6-37.8177.3-64178.3-173.200111.3R150 E151 A157R150-E153 HydrophobicContact CB-CG 4.24Å; R150-E153 WeakPolarHBondContact CD-OE1 3.15Å; R150-E153 IonicContact CZ-OE1 2.77Å; R150-E153 IonicContact NE-OE1 3.46Å; R150-E153 IonicContact NH1-OE1 3.83Å; R150-E153 PolarHBondContact NH1-OE1 2.92Å; R150-E153 IonicContact NH1-OE2 3.59Å; R150-E153 WeakPolarHBondContact O-CB 3.47Å; R150-E153 PolarHBondContact O-N 2.82Å; E151-E153 PolarHBondContact O-N 2.88Å; E153-A157 WeakPolarHBondContact O-CB 3.35Å; E153-A157 PolarHBondContact O-N 3.37Å; E153-A157 VanDerWaalsContact O-N 3.07Å
154Q97.8Very high98.3Very high120 Ų12067.6 Ų67.656%0.56134%0.338SS*.Hα-helixtrans-68.7-45.7177.1-60.3-178.343.300111.2E151 A152 A157 Y158E151-Q154 WeakPolarHBondContact O-CB 3.33Å; E151-Q154 PolarHBondContact O-N 3.29Å; E151-Q154 VanDerWaalsContact O-N 3.1Å; E151-Q154 PolarHBondContact OE2-NE2 3.07Å; A152-Q154 VanDerWaalsContact C-N 3.34Å; Q154-A157 PolarHBondContact O-N 2.9Å; Q154-Y158 PolarHBondContact O-N 3.01Å
155W98.3Very high98.2Very high45 Ų4566.3 Ų66.317%0.1734%0.339CS..Hα-helixtrans-62.8-43.6176.8-82.6108000112.3W96 Y98 D113 L125 E151 A152 A157 Y158 L159W96-W155 AromaticContact CH2-CH2 3.3Å; W96-W155 HydrophobicContact CH2-CH2 3.3Å; W96-W155 AromaticContact CH2-CZ2 3.38Å; W96-W155 HydrophobicContact CH2-CZ2 3.38Å; W96-W155 HydrophobicContact CH2-CZ3 4.49Å; W96-W155 AromaticContact CZ2-CH2 3.18Å; W96-W155 HydrophobicContact CZ2-CH2 3.18Å; W96-W155 AromaticContact CZ2-CZ2 3.14Å; W96-W155 HydrophobicContact CZ2-CZ2 3.14Å; W96-W155 HydrophobicContact CZ2-CZ3 4.14Å; Y98-W155 HydrophobicContact CD2-CZ3 4.13Å; Y98-W155 HydrophobicContact CG-CH2 4.4Å; Y98-W155 HydrophobicContact CG-CZ3 4.19Å; D113-W155 HydrophobicContact CB-CD2 4.39Å; D113-W155 HydrophobicContact CB-CE3 4.45Å; D113-W155 VanDerWaalsContact OD2-CD1 3.24Å; D113-W155 PolarHBondContact OD2-NE1 3.13Å; D113-W155 VanDerWaalsContact OD2-NE1 3.09Å; L125-W155 HydrophobicContact CD2-CB 4Å; E151-W155 PolarHBondContact O-N 2.8Å; A152-W155 PolarHBondContact O-N 2.82Å; W155-A157 VanDerWaalsContact C-N 3.33Å; W155-A157 PolarHBondContact O-N 2.88Å; W155-Y158 AromaticContact CE3-CD1 3.91Å; W155-Y158 HydrophobicContact CE3-CD1 3.91Å; W155-Y158 AromaticContact CZ3-CD1 3.66Å; W155-Y158 HydrophobicContact CZ3-CD1 3.66Å; W155-Y158 HydrophobicContact CZ3-CE1 4.02Å; W155-Y158 HydrophobicContact CZ3-CG 4.39Å; W155-Y158 PolarHBondContact O-N 3.04Å; W155-L159 WeakPolarHBondContact O-CB 3.47Å; W155-L159 WeakPolarHBondContact O-CG 3.31Å; W155-L159 PolarHBondContact O-N 3.37Å
156R98.4Very high98.2Very high74 Ų7463.1 Ų63.128%0.27932%0.324SS..Hα-helixtrans-58.1-45.1174.4-174.7172.7-179.8-140.9-14.1112.1L129 R130 A152 Y158 L159 E160L129-R156 HydrophobicContact CB-CB 4.1Å; L129-R156 HydrophobicContact CB-CG 3.92Å; L129-R156 HydrophobicContact CD1-CG 4.22Å; R130-R156 VanDerWaalsContact NH2-NH1 3.11Å; A152-R156 WeakPolarHBondContact O-CB 3.4Å; A152-R156 PolarHBondContact O-N 2.88Å; R156-Y158 VanDerWaalsContact C-N 3.34Å; R156-Y158 PolarHBondContact O-N 2.82Å; R156-L159 PolarHBondContact O-N 2.95Å; R156-E160 HydrophobicContact CG-CG 4.13Å; R156-E160 IonicContact CZ-OE1 3.36Å; R156-E160 VanDerWaalsContact CZ-OE1 3.31Å; R156-E160 IonicContact CZ-OE2 3.18Å; R156-E160 IonicContact NE-OE1 3.53Å; R156-E160 PolarHBondContact NE-OE1 3.29Å; R156-E160 IonicContact NE-OE2 3.44Å; R156-E160 PolarHBondContact NE-OE2 3.24Å; R156-E160 IonicContact NH2-OE1 2.85Å; R156-E160 PolarHBondContact NH2-OE1 2.61Å; R156-E160 IonicContact NH2-OE2 3.48Å; R156-E160 PolarHBondContact NH2-OE2 2.62Å; R156-E160 WeakPolarHBondContact O-CB 3.19Å; R156-E160 WeakPolarHBondContact O-CG 3.49Å; R156-E160 PolarHBondContact O-N 2.84Å
157A98.4Very high98.3Very high64 Ų6460.1 Ų60.153%0.52931%0.312SS..Hα-helixtrans-62-40.5177.400000112.5E153 Q154 W155 G161E153-A157 WeakPolarHBondContact O-CB 3.35Å; E153-A157 PolarHBondContact O-N 3.37Å; E153-A157 VanDerWaalsContact O-N 3.07Å; Q154-A157 PolarHBondContact O-N 2.9Å; W155-A157 VanDerWaalsContact C-N 3.33Å; W155-A157 PolarHBondContact O-N 2.88Å; A157-G161 PolarHBondContact O-N 2.88Å; A157-G161 VanDerWaalsContact O-N 3.09Å
158Y98.3Very high98.2Very high51 Ų5161.4 Ų61.420%0.231%0.313CS..Iπ-helixtrans-65-48174.1169.5-99.6000112Y98 Q154 W155 R156 G161 T162 C163Y98-Y158 AromaticContact CD2-CE1 3.93Å; Y98-Y158 HydrophobicContact CD2-CE1 3.93Å; Y98-Y158 HydrophobicContact CE2-CE1 4.14Å; Q154-Y158 PolarHBondContact O-N 3.01Å; W155-Y158 AromaticContact CE3-CD1 3.91Å; W155-Y158 HydrophobicContact CE3-CD1 3.91Å; W155-Y158 AromaticContact CZ3-CD1 3.66Å; W155-Y158 HydrophobicContact CZ3-CD1 3.66Å; W155-Y158 HydrophobicContact CZ3-CE1 4.02Å; W155-Y158 HydrophobicContact CZ3-CG 4.39Å; W155-Y158 PolarHBondContact O-N 3.04Å; R156-Y158 VanDerWaalsContact C-N 3.34Å; R156-Y158 PolarHBondContact O-N 2.82Å; Y158-G161 CarbonylContact O-C 3.59Å; Y158-G161 PolarHBondContact O-N 3.45Å; Y158-T162 HydrophobicContact CD2-CG2 4.03Å; Y158-T162 HydrophobicContact CE2-CG2 3.91Å; Y158-T162 PolarHBondContact O-N 3.33Å; Y158-T162 VanDerWaalsContact O-N 3.1Å; Y158-C163 HydrophobicContact CD1-CB 4.38Å; Y158-C163 HydrophobicContact CE1-CB 3.92Å; Y158-C163 WeakPolarHBondContact O-CB 3.31Å; Y158-C163 PolarHBondContact O-N 2.83Å
159L98.6Very high98.2Very high0 Ų063.1 Ų63.10%030%0.301CS..Iπ-helixtrans-69.7-39.6-174.8-69.3170.2000112.6G99 L125 L129 W155 R156 V164G99-L159 WeakPolarHBondContact O-CD2 3.25Å; L125-L159 HydrophobicContact CD2-CD1 3.94Å; L129-L159 HydrophobicContact CD2-CD1 3.94Å; W155-L159 WeakPolarHBondContact O-CB 3.47Å; W155-L159 WeakPolarHBondContact O-CG 3.31Å; W155-L159 PolarHBondContact O-N 3.37Å; R156-L159 PolarHBondContact O-N 2.95Å; L159-V164 WeakPolarHBondContact O-CG2 3.4Å
160E98.1Very high98.2Very high91 Ų9160.7 Ų60.743%0.42528%0.281SS..Iπ-helixtrans-79.2-24.2177.1-69-179.7169.900113L108 L129 R156L108-E160 HydrophobicContact CD2-CB 4.37Å; L108-E160 HydrophobicContact CD2-CG 3.64Å; L129-E160 HydrophobicContact CD1-CG 4.32Å; R156-E160 HydrophobicContact CG-CG 4.13Å; R156-E160 IonicContact CZ-OE1 3.36Å; R156-E160 VanDerWaalsContact CZ-OE1 3.31Å; R156-E160 IonicContact CZ-OE2 3.18Å; R156-E160 IonicContact NE-OE1 3.53Å; R156-E160 PolarHBondContact NE-OE1 3.29Å; R156-E160 IonicContact NE-OE2 3.44Å; R156-E160 PolarHBondContact NE-OE2 3.24Å; R156-E160 IonicContact NH2-OE1 2.85Å; R156-E160 PolarHBondContact NH2-OE1 2.61Å; R156-E160 IonicContact NH2-OE2 3.48Å; R156-E160 PolarHBondContact NH2-OE2 2.62Å; R156-E160 WeakPolarHBondContact O-CB 3.19Å; R156-E160 WeakPolarHBondContact O-CG 3.49Å; R156-E160 PolarHBondContact O-N 2.84Å
161G98.1Very high98.1Very high23 Ų2354.1 Ų54.124%0.23726%0.257CS..Iπ-helixtrans-109.4-91.1-177.200000112.7A157 Y158 C163 V164 E165A157-G161 PolarHBondContact O-N 2.88Å; A157-G161 VanDerWaalsContact O-N 3.09Å; Y158-G161 CarbonylContact O-C 3.59Å; Y158-G161 PolarHBondContact O-N 3.45Å; G161-C163 VanDerWaalsContact C-N 3.33Å; G161-C163 PolarHBondContact O-N 3.33Å; G161-V164 PolarHBondContact O-N 3.44Å; G161-V164 VanDerWaalsContact O-N 3.12Å; G161-E165 WeakPolarHBondContact O-CG 3.48Å; G161-E165 PolarHBondContact O-N 2.99Å
162T98Very high98Very high54 Ų5457.7 Ų57.733%0.33127%0.273SS..Iπ-helixtrans-54.9-43.1-170.2-57.60000113.2Y158 V164 E165 W166Y158-T162 HydrophobicContact CD2-CG2 4.03Å; Y158-T162 HydrophobicContact CE2-CG2 3.91Å; Y158-T162 PolarHBondContact O-N 3.33Å; Y158-T162 VanDerWaalsContact O-N 3.1Å; T162-V164 PolarHBondContact O-N 2.94Å; T162-E165 PolarHBondContact O-N 2.99Å; T162-W166 VanDerWaalsContact CG2-CD1 3.47Å; T162-W166 PolarHBondContact O-N 3.29Å
163C98.5Very high98Very high0 Ų059.6 Ų59.60%028%0.282CS..Hα-helixtrans-60.2-48.3179.2-171.50000111.6M4 C100 Y158 G161 E165 W166 L167M4-C163 HydrophobicContact CE-CB 4.19Å; M4-C163 VanDerWaalsContact CE-O 3.23Å; M4-C163 WeakPolarHBondContact CE-O 3.31Å; M4-C163 WeakPolarHBondContact CE-SG 3.27Å; C100-C163 HydrophobicContact CB-CB 3.94Å; C100-C163 WeakPolarHBondContact CB-SG 3.37Å; C100-C163 PolarHBondContact N-SG 3.45Å; C100-C163 VanDerWaalsContact N-SG 3.36Å; C100-C163 WeakPolarHBondContact SG-CB 3.48Å; C100-C163 CovalentContact SG-SG 2.04Å; C100-C163 PolarHBondContact SG-SG 3.18Å; Y158-C163 HydrophobicContact CD1-CB 4.38Å; Y158-C163 HydrophobicContact CE1-CB 3.92Å; Y158-C163 WeakPolarHBondContact O-CB 3.31Å; Y158-C163 PolarHBondContact O-N 2.83Å; G161-C163 VanDerWaalsContact C-N 3.33Å; G161-C163 PolarHBondContact O-N 3.33Å; C163-E165 PolarHBondContact O-N 3.27Å; C163-W166 PolarHBondContact O-N 2.82Å; C163-L167 WeakPolarHBondContact O-CB 3.49Å; C163-L167 PolarHBondContact O-N 3.14Å
164V98.5Very high97.9Very high8 Ų854.3 Ų54.35%0.04826%0.258CS..Hα-helixtrans-62-44.4178.61750000111L102 L108 L159 G161 T162 R168L102-V164 HydrophobicContact CD1-CG1 4.47Å; L102-V164 HydrophobicContact CD2-CB 4.18Å; L102-V164 HydrophobicContact CD2-CG1 3.82Å; L102-V164 HydrophobicContact CD2-CG2 3.8Å; L108-V164 HydrophobicContact CB-CG2 4.04Å; L108-V164 HydrophobicContact CD1-CG2 4.09Å; L159-V164 WeakPolarHBondContact O-CG2 3.4Å; G161-V164 PolarHBondContact O-N 3.44Å; G161-V164 VanDerWaalsContact O-N 3.12Å; T162-V164 PolarHBondContact O-N 2.94Å; V164-R168 WeakPolarHBondContact O-CG 3.41Å; V164-R168 PolarHBondContact O-N 3.35Å
165E98.2Very high97.7Very high127 Ų12753.8 Ų53.859%0.59325%0.254SS*.Hα-helixtrans-61.3-47.2179-72175.2173.800112.2G161 T162 C163 R168 R169G161-E165 WeakPolarHBondContact O-CG 3.48Å; G161-E165 PolarHBondContact O-N 2.99Å; T162-E165 PolarHBondContact O-N 2.99Å; C163-E165 PolarHBondContact O-N 3.27Å; E165-R168 PolarHBondContact O-N 2.64Å; E165-R169 PolarHBondContact O-N 2.99Å; E165-R169 VanDerWaalsContact O-N 3.08Å
166W98.1Very high97.4Very high46 Ų4660.1 Ų60.117%0.17429%0.286CS..Hα-helixtrans-67.6-42.8178.7-81.6102.5000112.3M4 Y58 T162 C163 R168 R169 Y170M4-W166 HydrophobicContact CE-CB 4.05Å; M4-W166 HydrophobicContact SD-CB 4.39Å; Y58-W166 AromaticContact CD2-CH2 3.58Å; Y58-W166 HydrophobicContact CD2-CH2 3.58Å; Y58-W166 HydrophobicContact CD2-CZ2 4.33Å; Y58-W166 AromaticContact CD2-CZ3 3.77Å; Y58-W166 HydrophobicContact CD2-CZ3 3.77Å; Y58-W166 HydrophobicContact CE2-CE3 4.24Å; Y58-W166 AromaticContact CE2-CH2 3.93Å; Y58-W166 HydrophobicContact CE2-CH2 3.93Å; Y58-W166 AromaticContact CE2-CZ3 3.72Å; Y58-W166 HydrophobicContact CE2-CZ3 3.72Å; T162-W166 VanDerWaalsContact CG2-CD1 3.47Å; T162-W166 PolarHBondContact O-N 3.29Å; C163-W166 PolarHBondContact O-N 2.82Å; W166-R168 VanDerWaalsContact C-N 3.33Å; W166-R168 PolarHBondContact O-N 3.43Å; W166-R169 WeakPolarHBondContact O-CB 3.46Å; W166-R169 PolarHBondContact O-N 2.78Å; W166-R169 VanDerWaalsContact O-N 3.15Å; W166-Y170 HydrophobicContact CB-CE2 3.99Å; W166-Y170 HydrophobicContact CE3-CD1 4.5Å; W166-Y170 AromaticContact CE3-CE1 3.61Å; W166-Y170 HydrophobicContact CE3-CE1 3.61Å; W166-Y170 HydrophobicContact CE3-CE2 4.2Å; W166-Y170 AromaticContact CE3-CZ 3.42Å; W166-Y170 VanDerWaalsContact CE3-CZ 3.42Å; W166-Y170 HydrophobicContact CZ3-CE1 4Å; W166-Y170 VanDerWaalsContact O-CD2 3.24Å; W166-Y170 WeakPolarHBondContact O-CD2 3.38Å; W166-Y170 VanDerWaalsContact O-CG 3.28Å; W166-Y170 PolarHBondContact O-N 2.73Å
167L98.5Very high97Very high0 Ų058.9 Ų58.90%029%0.287CS..Hα-helixtrans-60.1-43.8176.9174.950.7000111.4H2 M4 V27 L102 C163 R169 Y170 L171H2-L167 HydrophobicContact CB-CD1 4.44Å; M4-L167 HydrophobicContact CB-CB 4.05Å; M4-L167 HydrophobicContact CB-CD1 4.03Å; M4-L167 HydrophobicContact CB-CD2 3.96Å; M4-L167 HydrophobicContact CB-CG 4.23Å; M4-L167 HydrophobicContact CE-CB 4.32Å; M4-L167 HydrophobicContact SD-CB 4.47Å; V27-L167 HydrophobicContact CG1-CD1 3.62Å; V27-L167 HydrophobicContact CG2-CD1 4.28Å; L102-L167 HydrophobicContact CB-CD2 4.5Å; L102-L167 HydrophobicContact CD1-CB 4.24Å; L102-L167 HydrophobicContact CD1-CD2 3.67Å; L102-L167 HydrophobicContact CD1-CG 3.73Å; L102-L167 HydrophobicContact CD2-CD2 4.49Å; L102-L167 HydrophobicContact CG-CD2 3.56Å; L102-L167 HydrophobicContact CG-CG 4.22Å; C163-L167 WeakPolarHBondContact O-CB 3.49Å; C163-L167 PolarHBondContact O-N 3.14Å; L167-R169 VanDerWaalsContact C-N 3.35Å; L167-R169 PolarHBondContact O-N 2.65Å; L167-Y170 PolarHBondContact O-N 2.87Å; L167-L171 HydrophobicContact CD1-CD1 3.81Å; L167-L171 HydrophobicContact CD1-CD2 4.37Å; L167-L171 HydrophobicContact CD1-CG 3.82Å; L167-L171 HydrophobicContact CG-CD1 4.01Å; L167-L171 HydrophobicContact CG-CG 4.47Å; L167-L171 WeakPolarHBondContact O-CB 3.5Å; L167-L171 VanDerWaalsContact O-CG 3.26Å; L167-L171 WeakPolarHBondContact O-CG 3.23Å; L167-L171 PolarHBondContact O-N 2.8Å
168R97.8Very high96.8Very high123 Ų12356 Ų5646%0.46426%0.262SS..Hα-helixtrans-60.1-43.2174.2-72.6174.9-177.7168.40.5112.4L102 G106 V164 E165 W166 L171 E172L102-R168 HydrophobicContact CD1-CG 3.96Å; G106-R168 VanDerWaalsContact O-CZ 3.29Å; G106-R168 PolarHBondContact O-NE 2.97Å; G106-R168 PolarHBondContact O-NH2 3.01Å; V164-R168 WeakPolarHBondContact O-CG 3.41Å; V164-R168 PolarHBondContact O-N 3.35Å; E165-R168 PolarHBondContact O-N 2.64Å; W166-R168 VanDerWaalsContact C-N 3.33Å; W166-R168 PolarHBondContact O-N 3.43Å; R168-L171 PolarHBondContact O-N 2.65Å; R168-E172 PolarHBondContact O-N 2.7Å
169R97.4Very high96.4Very high123 Ų12358 Ų5846%0.46427%0.273SS..Hα-helixtrans-61.1-44.9176.5179179.8174.4111.5-5.6111.5E54 E165 W166 L167 E172 N173E54-R169 IonicContact OE1-CZ 2.77Å; E54-R169 IonicContact OE1-NE 3.53Å; E54-R169 PolarHBondContact OE1-NE 3.2Å; E54-R169 IonicContact OE1-NH2 3.81Å; E54-R169 PolarHBondContact OE1-NH2 3.35Å; E54-R169 IonicContact OE2-CZ 3.31Å; E54-R169 IonicContact OE2-NE 2.95Å; E54-R169 IonicContact OE2-NH2 3.5Å; E54-R169 PolarHBondContact OE2-NH2 3.17Å; E165-R169 PolarHBondContact O-N 2.99Å; E165-R169 VanDerWaalsContact O-N 3.08Å; W166-R169 WeakPolarHBondContact O-CB 3.46Å; W166-R169 PolarHBondContact O-N 2.78Å; W166-R169 VanDerWaalsContact O-N 3.15Å; L167-R169 VanDerWaalsContact C-N 3.35Å; L167-R169 PolarHBondContact O-N 2.65Å; R169-E172 PolarHBondContact O-N 2.87Å; R169-N173 WeakPolarHBondContact O-CB 3.18Å; R169-N173 PolarHBondContact O-N 3.23Å; R169-N173 PolarHBondContact O-OD1 3.03Å
170Y97.8Very high96Very high1 Ų162.8 Ų62.80%0.00429%0.291CS..Hα-helixtrans-67.1-39.1178.7-61.9-34.8000112.6M4 V27 F32 W50 V51 Y58 W166 L167 E172 N173 G174 L178M4-Y170 HydrophobicContact SD-CD2 3.76Å; M4-Y170 HydrophobicContact SD-CE2 3.59Å; M4-Y170 VanDerWaalsContact SD-CE2 3.59Å; V27-Y170 HydrophobicContact CG2-CD2 3.99Å; V27-Y170 HydrophobicContact CG2-CG 4.46Å; F32-Y170 HydrophobicContact CD2-CE2 4.49Å; F32-Y170 HydrophobicContact CE2-CD2 4.3Å; F32-Y170 AromaticContact CE2-CE2 3.67Å; F32-Y170 HydrophobicContact CE2-CE2 3.67Å; F32-Y170 AromaticContact CE2-CZ 3.82Å; F32-Y170 HydrophobicContact CZ-CD2 4.36Å; F32-Y170 AromaticContact CZ-CE2 3.83Å; F32-Y170 HydrophobicContact CZ-CE2 3.83Å; W50-Y170 HydrophobicContact CE3-CD1 4.23Å; W50-Y170 HydrophobicContact CE3-CG 4.49Å; W50-Y170 HydrophobicContact CH2-CG 4.2Å; W50-Y170 AromaticContact CZ3-CD1 3.59Å; W50-Y170 HydrophobicContact CZ3-CD1 3.59Å; W50-Y170 HydrophobicContact CZ3-CD2 4.36Å; W50-Y170 HydrophobicContact CZ3-CE1 4.33Å; W50-Y170 AromaticContact CZ3-CG 3.62Å; W50-Y170 HydrophobicContact CZ3-CG 3.62Å; V51-Y170 HydrophobicContact CG2-CE1 4.36Å; Y58-Y170 VanDerWaalsContact CE2-OH 3.23Å; Y58-Y170 WeakPolarHBondContact CE2-OH 3.45Å; Y58-Y170 PolarHBondContact OH-OH 2.8Å; W166-Y170 HydrophobicContact CB-CE2 3.99Å; W166-Y170 HydrophobicContact CE3-CD1 4.5Å; W166-Y170 AromaticContact CE3-CE1 3.61Å; W166-Y170 HydrophobicContact CE3-CE1 3.61Å; W166-Y170 HydrophobicContact CE3-CE2 4.2Å; W166-Y170 AromaticContact CE3-CZ 3.42Å; W166-Y170 VanDerWaalsContact CE3-CZ 3.42Å; W166-Y170 HydrophobicContact CZ3-CE1 4Å; W166-Y170 VanDerWaalsContact O-CD2 3.24Å; W166-Y170 WeakPolarHBondContact O-CD2 3.38Å; W166-Y170 VanDerWaalsContact O-CG 3.28Å; W166-Y170 PolarHBondContact O-N 2.73Å; L167-Y170 PolarHBondContact O-N 2.87Å; Y170-E172 VanDerWaalsContact C-N 3.28Å; Y170-E172 PolarHBondContact O-N 2.62Å; Y170-N173 PolarHBondContact O-N 2.97Å; Y170-G174 WeakPolarHBondContact O-CA 3.37Å; Y170-G174 PolarHBondContact O-N 2.84Å; Y170-L178 WeakPolarHBondContact O-CD1 3.07Å
171L97.1Very high95.8Very high14 Ų1460.2 Ų60.27%0.07329%0.286CS..Hα-helixtrans-63.3-34.7175-71.8169.4000112.6H2 V27 L167 R168 K175 L178 Q179H2-L171 HydrophobicContact CB-CD1 3.68Å; H2-L171 HydrophobicContact CB-CD2 3.95Å; H2-L171 HydrophobicContact CB-CG 4.39Å; H2-L171 VanDerWaalsContact CG-CD2 3.47Å; H2-L171 WeakPolarHBondContact ND1-CD2 3.36Å; V27-L171 HydrophobicContact CG1-CD2 4.08Å; L167-L171 HydrophobicContact CD1-CD1 3.81Å; L167-L171 HydrophobicContact CD1-CD2 4.37Å; L167-L171 HydrophobicContact CD1-CG 3.82Å; L167-L171 HydrophobicContact CG-CD1 4.01Å; L167-L171 HydrophobicContact CG-CG 4.47Å; L167-L171 WeakPolarHBondContact O-CB 3.5Å; L167-L171 VanDerWaalsContact O-CG 3.26Å; L167-L171 WeakPolarHBondContact O-CG 3.23Å; L167-L171 PolarHBondContact O-N 2.8Å; R168-L171 PolarHBondContact O-N 2.65Å; L171-K175 VanDerWaalsContact O-CA 3.22Å; L171-K175 WeakPolarHBondContact O-CA 3.47Å; L171-K175 WeakPolarHBondContact O-CB 3.5Å; L171-K175 PolarHBondContact O-N 2.85Å; L171-K175 VanDerWaalsContact O-N 3.15Å; L171-L178 HydrophobicContact CD2-CB 4.15Å; L171-L178 HydrophobicContact CD2-CD1 4.32Å; L171-Q179 PolarHBondContact O-NE2 2.86Å
172E96.6Very high95.7Very high124 Ų12462 Ų6258%0.57929%0.288SS*.Hα-helixtrans-72.9-48.4174.2-171.659.8-152.100111.1R168 R169 Y170 G174 K175R168-E172 PolarHBondContact O-N 2.7Å; R169-E172 PolarHBondContact O-N 2.87Å; Y170-E172 VanDerWaalsContact C-N 3.28Å; Y170-E172 PolarHBondContact O-N 2.62Å; E172-G174 VanDerWaalsContact C-N 3.31Å; E172-G174 PolarHBondContact O-N 3.19Å; E172-K175 WeakPolarHBondContact O-CB 3.37Å; E172-K175 PolarHBondContact O-N 3.04Å
173N96.8Very high95.6Very high49 Ų4964.2 Ų64.226%0.26230%0.295SS..Hα-helixtrans-60-40.5179-70.5-4.3000112.6W50 Q53 E54 R169 Y170W50-N173 HydrophobicContact CB-CB 4.43Å; Q53-N173 VanDerWaalsContact NE2-CB 3.27Å; Q53-N173 PolarHBondContact NE2-ND2 3.09Å; Q53-N173 PolarHBondContact NE2-OD1 2.82Å; E54-N173 PolarHBondContact OE1-ND2 3.09Å; R169-N173 WeakPolarHBondContact O-CB 3.18Å; R169-N173 PolarHBondContact O-N 3.23Å; R169-N173 PolarHBondContact O-OD1 3.03Å; Y170-N173 PolarHBondContact O-N 2.97Å
174G96Very high95.6Very high3 Ų364.6 Ų64.63%0.03130%0.297CS..THydrogen-bonded Turntrans-103.219.4-175.900000113.7Y170 E172 E176 T177 L178Y170-G174 WeakPolarHBondContact O-CA 3.37Å; Y170-G174 PolarHBondContact O-N 2.84Å; E172-G174 VanDerWaalsContact C-N 3.31Å; E172-G174 PolarHBondContact O-N 3.19Å; G174-E176 VanDerWaalsContact C-N 3.27Å; G174-E176 PolarHBondContact O-N 3.31Å; G174-E176 VanDerWaalsContact O-N 3.16Å; G174-T177 CarbonylContact O-C 3.58Å; G174-T177 PolarHBondContact O-N 3.17Å; G174-T177 PolarHBondContact O-OG1 2.75Å; G174-L178 WeakPolarHBondContact O-CB 3.2Å; G174-L178 PolarHBondContact O-N 2.76Å
175K94.6Very high95.6Very high109 Ų10971.6 Ų71.647%0.47433%0.327SS..Hα-helixtrans-49.8-44.1-171.4-177.5173.4-174.9174.90113.9L171 E172 T177 Q179L171-K175 VanDerWaalsContact O-CA 3.22Å; L171-K175 WeakPolarHBondContact O-CA 3.47Å; L171-K175 WeakPolarHBondContact O-CB 3.5Å; L171-K175 PolarHBondContact O-N 2.85Å; L171-K175 VanDerWaalsContact O-N 3.15Å; E172-K175 WeakPolarHBondContact O-CB 3.37Å; E172-K175 PolarHBondContact O-N 3.04Å; K175-T177 PolarHBondContact O-N 2.88Å; K175-Q179 HydrophobicContact CG-CB 4.48Å; K175-Q179 HydrophobicContact CG-CG 4.47Å; K175-Q179 WeakPolarHBondContact O-CB 3.48Å; K175-Q179 PolarHBondContact O-N 3.09Å; K175-Q179 VanDerWaalsContact O-N 3.15Å
176E91.3Very high95.6Very high178 Ų17867.2 Ų67.283%0.83231%0.309SS*.Hα-helixtrans-62.8-28.9179.8-63.1-174.7165.500113G174 R180G174-E176 VanDerWaalsContact C-N 3.27Å; G174-E176 PolarHBondContact O-N 3.31Å; G174-E176 VanDerWaalsContact O-N 3.16Å; E176-R180 VanDerWaalsContact O-CD 3.31Å; E176-R180 WeakPolarHBondContact O-CD 3.42Å
177T90.9Very high95.5Very high48 Ų4868.8 Ų68.829%0.29432%0.318SS..Hα-helixtrans-103-33-176.152.30000114.6W50 G174 K175 R180W50-T177 VanDerWaalsContact CD1-OG1 3.24Å; G174-T177 CarbonylContact O-C 3.58Å; G174-T177 PolarHBondContact O-N 3.17Å; G174-T177 PolarHBondContact O-OG1 2.75Å; K175-T177 PolarHBondContact O-N 2.88Å; T177-R180 VanDerWaalsContact O-CG 3.31Å; T177-R180 WeakPolarHBondContact O-CG 3.15Å; T177-R180 PolarHBondContact O-NE 3.24Å
178L92.8Very high95.5Very high4 Ų469.9 Ų69.92%0.02133%0.325CS..Hα-helixtrans-94.9-28.5-173.3-64.8172.5000112.5V27 T30 W50 Y170 L171 G174V27-L178 HydrophobicContact CB-CD1 4.3Å; V27-L178 HydrophobicContact CB-CD2 4.18Å; V27-L178 HydrophobicContact CG1-CD1 3.88Å; V27-L178 HydrophobicContact CG1-CD2 4.08Å; T30-L178 HydrophobicContact CG2-CD2 4.12Å; W50-L178 HydrophobicContact CD2-CD1 4.42Å; W50-L178 HydrophobicContact CH2-CD1 4.36Å; W50-L178 HydrophobicContact CZ2-CD1 3.83Å; W50-L178 HydrophobicContact CZ2-CD2 4.12Å; W50-L178 HydrophobicContact CZ2-CG 4.38Å; Y170-L178 WeakPolarHBondContact O-CD1 3.07Å; L171-L178 HydrophobicContact CD2-CB 4.15Å; L171-L178 HydrophobicContact CD2-CD1 4.32Å; G174-L178 WeakPolarHBondContact O-CB 3.2Å; G174-L178 PolarHBondContact O-N 2.76Å
179Q90.4Very high95.5Very high93 Ų9365.6 Ų65.644%0.43531%0.312SS..SBendtrans-103.415.8179.3-56.2-179.131.400112.3L171 K175L171-Q179 PolarHBondContact O-NE2 2.86Å; K175-Q179 HydrophobicContact CG-CB 4.48Å; K175-Q179 HydrophobicContact CG-CG 4.47Å; K175-Q179 WeakPolarHBondContact O-CB 3.48Å; K175-Q179 PolarHBondContact O-N 3.09Å; K175-Q179 VanDerWaalsContact O-N 3.15Å
180R91.1Very high95.4Very high100 Ų10062.3 Ų62.338%0.37730%0.302SS..  trans-93.1148.3168.966.9178.7176159.212.2109.5E176 T177 E182 Y208E176-R180 VanDerWaalsContact O-CD 3.31Å; E176-R180 WeakPolarHBondContact O-CD 3.42Å; T177-R180 VanDerWaalsContact O-CG 3.31Å; T177-R180 WeakPolarHBondContact O-CG 3.15Å; T177-R180 PolarHBondContact O-NE 3.24Å; R180-E182 IonicContact CZ-OE1 3.42Å; R180-E182 IonicContact NE-OE1 2.75Å; R180-E182 IonicContact NH1-OE1 3.24Å; R180-E182 PolarHBondContact NH1-OE1 3.05Å; R180-E182 IonicContact NH2-OE1 3.09Å; R180-E182 PolarHBondContact NH2-OE1 3.21Å; R180-Y208 WeakPolarHBondContact O-CD1 3.4Å
181A94Very high95.3Very high38 Ų3866 Ų6631%0.31432%0.319SS..  trans-117125164.100000108.4Y208A181-Y208 CarbonylContact C-O 3.55Å; A181-Y208 VanDerWaalsContact CA-O 3.28Å; A181-Y208 WeakPolarHBondContact CA-O 3.44Å
182E95.4Very high95.1Very high61 Ų6170 Ų7029%0.28535%0.346SS..BIsolated β-bridgetrans-97.2121.2173.1-66.8-167.9-158.100108.6R180 F207 Y208 T239 H262R180-E182 IonicContact CZ-OE1 3.42Å; R180-E182 IonicContact NE-OE1 2.75Å; R180-E182 IonicContact NH1-OE1 3.24Å; R180-E182 PolarHBondContact NH1-OE1 3.05Å; R180-E182 IonicContact NH2-OE1 3.09Å; R180-E182 PolarHBondContact NH2-OE1 3.21Å; E182-F207 WeakPolarHBondContact O-CA 3.37Å; E182-F207 WeakPolarHBondContact O-CB 3.4Å; E182-Y208 PolarHBondContact N-O 3.48Å; E182-Y208 PolarHBondContact O-N 2.94Å; E182-T239 WeakPolarHBondContact OE2-CG2 3.39Å; E182-H262 PolarHBondContact O-CE1 2.9Å; E182-H262 VanDerWaalsContact O-CE1 3.23Å
183H96.3Very high94.9Very high99 Ų9968.7 Ų68.746%0.45835%0.346SS..PPolyproline II helixtrans-70.4145.4-178.7-54.6-101.6000111.7K185 G264 L265H183-K185 PolarHBondContact O-N 3.07Å; H183-G264 PolarHBondContact CE1-O 3.31Å; H183-G264 PolarHBondContact ND1-O 3.43Å; H183-L265 HydrophobicContact CB-CD2 4.14Å; H183-L265 WeakPolarHBondContact ND1-CA 3.49Å; H183-L265 PolarHBondContact ND1-N 3.3Å
184P97.9Very high94.7Very high8 Ų868.9 Ų68.95%0.05235%0.351CS..PPolyproline II helixtrans-67.6130.5176.528.5-34.8000111.7T186 A204 F207 I212 V260 H262 L265P184-T186 HydrophobicContact CB-CG2 3.87Å; P184-T186 HydrophobicContact CG-CG2 4.11Å; P184-T186 PolarHBondContact O-N 3.44Å; P184-A204 HydrophobicContact CB-CB 3.87Å; P184-F207 HydrophobicContact CB-CB 3.87Å; P184-F207 HydrophobicContact CB-CD1 3.93Å; P184-F207 HydrophobicContact CB-CG 4.17Å; P184-I212 HydrophobicContact CB-CD1 4.03Å; P184-I212 HydrophobicContact CG-CD1 4.14Å; P184-V260 HydrophobicContact CG-CG1 3.95Å; P184-H262 HydrophobicContact CG-CB 4.16Å; P184-L265 HydrophobicContact CG-CD1 3.85Å; P184-L265 HydrophobicContact CG-CG 4.25Å
185K97.9Very high94.4Very high156 Ų15676 Ų7668%0.67839%0.388SS*.EExtended strand (participates in β ladder)trans-77.3112.1163-65171.8-172.9165.70107.8H183 L205H183-K185 PolarHBondContact O-N 3.07Å; K185-L205 PolarHBondContact N-O 3.15Å; K185-L205 PolarHBondContact O-N 3.47Å
186T97.9Very high94.4Very high35 Ų3577.6 Ų77.622%0.21540%0.397CS..EExtended strand (participates in β ladder)trans-114.2145.9-171.657.30000112.6P184 W203 A204 V260 L269 L271P184-T186 HydrophobicContact CB-CG2 3.87Å; P184-T186 HydrophobicContact CG-CG2 4.11Å; P184-T186 PolarHBondContact O-N 3.44Å; T186-W203 WeakPolarHBondContact CA-O 3.44Å; T186-W203 WeakPolarHBondContact CB-O 3.42Å; T186-A204 HydrophobicContact CG2-CB 4.25Å; T186-V260 HydrophobicContact CG2-CB 4.47Å; T186-V260 HydrophobicContact CG2-CG1 4.18Å; T186-V260 HydrophobicContact CG2-CG2 4.08Å; T186-L269 HydrophobicContact CG2-CD1 4.42Å; T186-L271 VanDerWaalsContact CB-CD1 3.44Å; T186-L271 HydrophobicContact CG2-CD1 4.16Å; T186-L271 WeakPolarHBondContact OG1-CD1 3.39Å
187H97.3Very high94.5Very high79 Ų7973.5 Ų73.537%0.36638%0.378SS..EExtended strand (participates in β ladder)trans-161.4160.2172.962.3-76.4000110.2W203H187-W203 VanDerWaalsContact CE1-CB 3.45Å; H187-W203 WeakPolarHBondContact CE1-CB 3.24Å; H187-W203 AromaticContact CE1-CD1 4Å; H187-W203 AromaticContact CE1-CG 3.73Å; H187-W203 PolarHBondContact N-O 2.81Å; H187-W203 AromaticContact NE2-CD1 3.53Å; H187-W203 AromaticContact NE2-CG 3.72Å; H187-W203 PolarHBondContact O-N 2.87Å
188V98.2Very high94.8Very high23 Ų2371.3 Ų71.314%0.13937%0.365CS..EExtended strand (participates in β ladder)trans-113.1124176.4-179.50000109.4L200 R201 C202 W216 L271 W273V188-L200 HydrophobicContact CG1-CB 4.32Å; V188-L200 HydrophobicContact CG1-CD2 4.39Å; V188-R201 CarbonylContact C-O 3.52Å; V188-R201 WeakPolarHBondContact CA-O 3.48Å; V188-C202 HydrophobicContact CG2-CB 4.44Å; V188-W216 HydrophobicContact CG1-CH2 3.86Å; V188-W216 HydrophobicContact CG1-CZ2 4.28Å; V188-W216 HydrophobicContact CG2-CH2 4.29Å; V188-L271 HydrophobicContact CG2-CB 3.92Å; V188-W273 HydrophobicContact CB-CB 4.45Å; V188-W273 HydrophobicContact CG1-CB 3.84Å
189T96.9Very high95Very high33 Ų3372.2 Ų72.220%0.20237%0.371CS..EExtended strand (participates in β ladder)trans-98.8148.6171.764.10000110.8H191 L200 R201 W203T189-H191 PolarHBondContact OG1-NE2 3.38Å; T189-L200 WeakPolarHBondContact O-CA 3.48Å; T189-R201 PolarHBondContact N-O 3.26Å; T189-R201 PolarHBondContact O-N 2.74Å; T189-W203 PolarHBondContact OG1-NE1 3.31Å
190H96.3Very high95.4Very high53 Ų5367.8 Ų67.825%0.24535%0.35CS..EExtended strand (participates in β ladder)trans-119.5127.1178.9169.3-92.7000109.6A198 L200 E253 W273H190-A198 WeakPolarHBondContact NE2-CB 3.44Å; H190-L200 HydrophobicContact CB-CD2 3.99Å; H190-E253 IonicContact NE2-OE1 3.66Å; H190-W273 HydrophobicContact CB-CD2 4.1Å; H190-W273 HydrophobicContact CB-CG 4.15Å; H190-W273 HydrophobicContact CB-CZ2 4.02Å; H190-W273 VanDerWaalsContact CB-NE1 3.26Å; H190-W273 AromaticContact CG-CE2 3.78Å; H190-W273 AromaticContact CG-CZ2 3.8Å; H190-W273 AromaticContact ND1-CZ2 3.97Å
191H95.3Very high95.7Very high79 Ų7965.6 Ų65.637%0.36634%0.342SS..EExtended strand (participates in β ladder)trans-128.2104.4-178.7-57.4-70.1000109.3T189 V193 A198 T199 R201T189-H191 PolarHBondContact OG1-NE2 3.38Å; H191-V193 PolarHBondContact O-N 3.24Å; H191-A198 CarbonylContact O-C 3.59Å; H191-A198 WeakPolarHBondContact O-CA 3.47Å; H191-T199 PolarHBondContact N-O 2.72Å; H191-T199 PolarHBondContact O-N 2.96Å; H191-R201 PolarHBondContact CD2-NH1 3.01Å; H191-R201 PolarHBondContact NE2-NH1 2.92Å; H191-R201 VanDerWaalsContact NE2-NH1 3.19Å
192P94.2Very high95.9Very high99 Ų9963.8 Ų63.864%0.64333%0.327SS*.EExtended strand (participates in β ladder)trans-57.8132.1173.5-20.630.7000110.8
193V91.9Very high96.1Very high95 Ų9563.1 Ų63.158%0.57632%0.322SS*.  trans-105.2-41.7176-179.10000110H191 E197 T199H191-V193 PolarHBondContact O-N 3.24Å; V193-E197 PolarHBondContact N-O 3.45Å; V193-T199 WeakPolarHBondContact CG2-OG1 3.31Å
194S92.4Very high96.2Very high53 Ų5358.4 Ų58.437%0.37130%0.3SS..SBendtrans-147.5-178.4175.372.30000110.6H196 E197S194-H196 PolarHBondContact O-N 2.89Å; S194-H196 PolarHBondContact OG-N 2.81Å; S194-E197 PolarHBondContact N-O 2.51Å; S194-E197 VanDerWaalsContact O-O 3.1Å; S194-E197 PolarHBondContact OG-N 2.93Å
195D89.7Confident96.2Very high152 Ų15260.6 Ų60.681%0.81331%0.311SS*.SBendtrans-66-10.6172.6-65.6-22.1000113.3
196H93.2Very high96.2Very high143 Ų14354 Ų5466%0.66229%0.287SS*.SBendtrans-115.7-15.4-175.7-55.8-45.5000113.4S194 P249 S250S194-H196 PolarHBondContact O-N 2.89Å; S194-H196 PolarHBondContact OG-N 2.81Å; H196-P249 CarbonylContact O-C 3.42Å; H196-P249 WeakPolarHBondContact O-CA 3.45Å; H196-S250 PolarHBondContact O-N 3.03Å; H196-S250 PolarHBondContact O-OG 3.49Å
197E95.4Very high96.2Very high93 Ų9352.3 Ų52.344%0.43528%0.277SS..EExtended strand (participates in β ladder)trans-144.3145.1-170.6-66.4179.6168.600112.3V193 S194 V247 V248 S250V193-E197 PolarHBondContact N-O 3.45Å; S194-E197 PolarHBondContact N-O 2.51Å; S194-E197 VanDerWaalsContact O-O 3.1Å; S194-E197 PolarHBondContact OG-N 2.93Å; E197-V247 HydrophobicContact CB-CG1 4.1Å; E197-V247 HydrophobicContact CG-CG1 4.32Å; E197-V248 WeakPolarHBondContact CA-O 3.36Å; E197-S250 PolarHBondContact N-OG 3.42Å
198A96Very high96.2Very high1 Ų148.8 Ų48.81%0.00826%0.26CS..EExtended strand (participates in β ladder)trans-134.6155.2171.300000110.8H190 H191 V248H190-A198 WeakPolarHBondContact NE2-CB 3.44Å; H191-A198 CarbonylContact O-C 3.59Å; H191-A198 WeakPolarHBondContact O-CA 3.47Å; A198-V248 HydrophobicContact CB-CG2 4.47Å; A198-V248 PolarHBondContact N-O 2.95Å; A198-V248 WeakPolarHBondContact O-CG2 3.44Å; A198-V248 PolarHBondContact O-N 3.26Å
199T97.6Very high96.1Very high23 Ų2348.7 Ų48.714%0.14126%0.26CS..EExtended strand (participates in β ladder)trans-96123.5169.5-54.80000109.5H191 V193 A245 V246H191-T199 PolarHBondContact N-O 2.72Å; H191-T199 PolarHBondContact O-N 2.96Å; V193-T199 WeakPolarHBondContact CG2-OG1 3.31Å; T199-A245 HydrophobicContact CG2-CB 3.92Å; T199-V246 WeakPolarHBondContact CA-O 3.04Å
200L98.1Very high96.1Very high0 Ų047.9 Ų47.90%026%0.256CS..EExtended strand (participates in β ladder)trans-94128.4164.5-63.2-176.7000108.9V188 T189 H190 W216 A245 V246 V248 E253 W273V188-L200 HydrophobicContact CG1-CB 4.32Å; V188-L200 HydrophobicContact CG1-CD2 4.39Å; T189-L200 WeakPolarHBondContact O-CA 3.48Å; H190-L200 HydrophobicContact CB-CD2 3.99Å; L200-W216 HydrophobicContact CB-CH2 3.68Å; L200-W216 HydrophobicContact CB-CZ2 3.79Å; L200-W216 HydrophobicContact CB-CZ3 4.48Å; L200-W216 HydrophobicContact CD1-CH2 4.03Å; L200-W216 HydrophobicContact CD1-CZ3 4.2Å; L200-A245 CarbonylContact O-C 3.5Å; L200-A245 WeakPolarHBondContact O-CA 3.07Å; L200-V246 HydrophobicContact CB-CG2 4.2Å; L200-V246 PolarHBondContact N-O 2.89Å; L200-V246 PolarHBondContact O-N 3.39Å; L200-V248 HydrophobicContact CD1-CG1 4.03Å; L200-V248 HydrophobicContact CD1-CG2 4.05Å; L200-V248 HydrophobicContact CG-CG1 4.18Å; L200-V248 HydrophobicContact CG-CG2 3.84Å; L200-E253 HydrophobicContact CD1-CB 4.12Å; L200-E253 HydrophobicContact CD2-CG 4.34Å; L200-W273 HydrophobicContact CD1-CB 4.44Å; L200-W273 HydrophobicContact CD2-CB 3.85Å; L200-W273 HydrophobicContact CD2-CD2 4.39Å; L200-W273 HydrophobicContact CD2-CG 3.98Å
201R98.3Very high96.1Very high54 Ų5452.2 Ų52.220%0.20428%0.277CS..EExtended strand (participates in β ladder)trans-122.6117.5176.7-176.2179.4-65.31160.1110.3V188 T189 H191 W203 W243 A244 A245V188-R201 CarbonylContact C-O 3.52Å; V188-R201 WeakPolarHBondContact CA-O 3.48Å; T189-R201 PolarHBondContact N-O 3.26Å; T189-R201 PolarHBondContact O-N 2.74Å; H191-R201 PolarHBondContact CD2-NH1 3.01Å; H191-R201 PolarHBondContact NE2-NH1 2.92Å; H191-R201 VanDerWaalsContact NE2-NH1 3.19Å; R201-W203 HydrophobicContact CG-CZ2 4.4Å; R201-W243 HydrophobicContact CG-CB 4Å; R201-W243 HydrophobicContact CG-CD2 4.13Å; R201-W243 HydrophobicContact CG-CE3 3.89Å; R201-W243 HydrophobicContact CG-CG 4.22Å; R201-A244 WeakPolarHBondContact CA-O 3.36Å; R201-A245 HydrophobicContact CB-CB 4.09Å; R201-A245 HydrophobicContact CG-CB 4.15Å
202C98.4Very high96.3Very high0 Ų049 Ų490%026%0.262CS..EExtended strand (participates in β ladder)trans-89.7122.2174.7-1740000109.5V188 W216 W243 A244 C258V188-C202 HydrophobicContact CG2-CB 4.44Å; C202-W216 HydrophobicContact CB-CZ2 3.65Å; C202-W243 CarbonylContact O-C 3.6Å; C202-W243 WeakPolarHBondContact O-CA 3.37Å; C202-W243 WeakPolarHBondContact O-CB 3.14Å; C202-A244 PolarHBondContact N-O 2.94Å; C202-A244 PolarHBondContact O-N 2.93Å; C202-C258 HydrophobicContact CB-CB 3.5Å; C202-C258 VanDerWaalsContact CB-CB 3.5Å; C202-C258 WeakPolarHBondContact CB-SG 3.47Å; C202-C258 WeakPolarHBondContact SG-CB 3.24Å; C202-C258 CovalentContact SG-SG 2.03Å; C202-C258 PolarHBondContact SG-SG 3.41Å
203W98.4Very high96.4Very high48 Ų4847 Ų4718%0.18225%0.249CC..EExtended strand (participates in β ladder)trans-104.5141.9179.4-69.989.3000110.7T186 H187 T189 R201 L205 W243T186-W203 WeakPolarHBondContact CA-O 3.44Å; T186-W203 WeakPolarHBondContact CB-O 3.42Å; H187-W203 VanDerWaalsContact CE1-CB 3.45Å; H187-W203 WeakPolarHBondContact CE1-CB 3.24Å; H187-W203 AromaticContact CE1-CD1 4Å; H187-W203 AromaticContact CE1-CG 3.73Å; H187-W203 PolarHBondContact N-O 2.81Å; H187-W203 AromaticContact NE2-CD1 3.53Å; H187-W203 AromaticContact NE2-CG 3.72Å; H187-W203 PolarHBondContact O-N 2.87Å; T189-W203 PolarHBondContact OG1-NE1 3.31Å; R201-W203 HydrophobicContact CG-CZ2 4.4Å; W203-L205 HydrophobicContact CE3-CD2 3.89Å; W203-L205 HydrophobicContact CZ3-CD2 4.43Å; W203-W243 HydrophobicContact CD2-CB 3.94Å; W203-W243 HydrophobicContact CD2-CG 4.45Å; W203-W243 HydrophobicContact CE3-CB 3.86Å; W203-W243 AromaticContact CE3-CD1 3.86Å; W203-W243 HydrophobicContact CE3-CG 4.16Å; W203-W243 HydrophobicContact CG-CB 4.38Å; W203-W243 AromaticContact CH2-CD1 3.61Å; W203-W243 HydrophobicContact CH2-CG 4.23Å; W203-W243 HydrophobicContact CZ3-CB 4.27Å; W203-W243 AromaticContact CZ3-CD1 3.37Å; W203-W243 HydrophobicContact CZ3-CG 4.06Å
204A98.6Very high96.7Very high0 Ų042.8 Ų42.80%022%0.223CC..EExtended strand (participates in β ladder)trans-125.5123.4162.400000107.8P184 T186 F207 I212 L214 Q241 K242P184-A204 HydrophobicContact CB-CB 3.87Å; T186-A204 HydrophobicContact CG2-CB 4.25Å; A204-F207 HydrophobicContact CB-CD1 4.04Å; A204-F207 HydrophobicContact CB-CE1 3.8Å; A204-F207 WeakPolarHBondContact O-CE1 3.08Å; A204-I212 HydrophobicContact CB-CD1 3.7Å; A204-L214 HydrophobicContact CB-CD1 4.04Å; A204-L214 HydrophobicContact CB-CD2 4.18Å; A204-Q241 CarbonylContact O-C 3.57Å; A204-Q241 VanDerWaalsContact O-CA 3.28Å; A204-Q241 WeakPolarHBondContact O-CA 3.36Å; A204-K242 PolarHBondContact N-O 2.8Å; A204-K242 PolarHBondContact O-N 3.14Å; A204-K242 VanDerWaalsContact O-O 3.09Å
205L98.3Very high97Very high54 Ų5442.1 Ų42.128%0.28322%0.216SC..EExtended strand (participates in β ladder)trans-130.9147.9-175.1-58.1177000110.9K185 W203 F207 Q241K185-L205 PolarHBondContact N-O 3.15Å; K185-L205 PolarHBondContact O-N 3.47Å; W203-L205 HydrophobicContact CE3-CD2 3.89Å; W203-L205 HydrophobicContact CZ3-CD2 4.43Å; L205-F207 PolarHBondContact O-N 2.81Å; L205-Q241 HydrophobicContact CD2-CB 3.54Å
206G97.5Very high97.4Very high17 Ų1735 Ų3518%0.17518%0.178CC..EExtended strand (participates in β ladder)trans68.534.6168.500000113.7T239 F240G206-T239 WeakPolarHBondContact CA-OG1 3.43Å; G206-F240 PolarHBondContact N-O 2.82Å
207F97.8Very high97.6Very high0 Ų030.2 Ų30.20%016%0.156CC..EExtended strand (participates in β ladder)trans-105.9155179.259.5-90.4000112.4E182 P184 A204 L205 P209 I212 T232 T239 F240 K242 H262E182-F207 WeakPolarHBondContact O-CA 3.37Å; E182-F207 WeakPolarHBondContact O-CB 3.4Å; P184-F207 HydrophobicContact CB-CB 3.87Å; P184-F207 HydrophobicContact CB-CD1 3.93Å; P184-F207 HydrophobicContact CB-CG 4.17Å; A204-F207 HydrophobicContact CB-CD1 4.04Å; A204-F207 HydrophobicContact CB-CE1 3.8Å; A204-F207 WeakPolarHBondContact O-CE1 3.08Å; L205-F207 PolarHBondContact O-N 2.81Å; F207-P209 WeakPolarHBondContact CD2-O 3.3Å; F207-I212 HydrophobicContact CD1-CD1 3.86Å; F207-I212 HydrophobicContact CD2-CB 4.26Å; F207-I212 HydrophobicContact CD2-CD1 3.96Å; F207-I212 HydrophobicContact CE1-CD1 3.78Å; F207-I212 HydrophobicContact CE1-CG2 4.44Å; F207-I212 HydrophobicContact CE2-CB 3.74Å; F207-I212 HydrophobicContact CE2-CD1 3.9Å; F207-I212 HydrophobicContact CE2-CG1 4.41Å; F207-I212 HydrophobicContact CE2-CG2 3.57Å; F207-I212 HydrophobicContact CG-CD1 3.96Å; F207-I212 HydrophobicContact CZ-CB 4.12Å; F207-I212 HydrophobicContact CZ-CD1 3.83Å; F207-I212 HydrophobicContact CZ-CG2 3.54Å; F207-T232 HydrophobicContact CE2-CG2 4.05Å; F207-T232 HydrophobicContact CZ-CG2 3.88Å; F207-T239 WeakPolarHBondContact O-CA 3.25Å; F207-F240 VanDerWaalsContact CD1-O 3.32Å; F207-F240 WeakPolarHBondContact CD1-O 3.33Å; F207-F240 HydrophobicContact CD2-CB 3.92Å; F207-F240 HydrophobicContact CE1-CB 4.28Å; F207-F240 WeakPolarHBondContact CE1-O 3.2Å; F207-F240 HydrophobicContact CE2-CB 3.47Å; F207-F240 VanDerWaalsContact CE2-CB 3.47Å; F207-F240 HydrophobicContact CE2-CG 4.47Å; F207-F240 HydrophobicContact CG-CB 4.48Å; F207-F240 HydrophobicContact CZ-CB 3.66Å; F207-F240 PolarHBondContact N-O 2.82Å; F207-F240 PolarHBondContact O-N 3.09Å; F207-K242 HydrophobicContact CE1-CB 4.39Å; F207-K242 HydrophobicContact CZ-CB 4.12Å; F207-H262 AromaticContact CD2-CD2 3.83Å; F207-H262 AromaticContact CD2-NE2 3.69Å
208Y96.9Very high97.7Very high5 Ų529.1 Ų29.12%0.0215%0.148CC..BIsolated β-bridgetrans-151.2135.4173.6178.8-85.1000108.9D29 T30 R180 A181 E182 G238 F240 H262D29-Y208 HydrophobicContact CB-CE2 3.98Å; T30-Y208 PolarHBondContact OG1-OH 3.22Å; R180-Y208 WeakPolarHBondContact O-CD1 3.4Å; A181-Y208 CarbonylContact C-O 3.55Å; A181-Y208 VanDerWaalsContact CA-O 3.28Å; A181-Y208 WeakPolarHBondContact CA-O 3.44Å; E182-Y208 PolarHBondContact N-O 3.48Å; E182-Y208 PolarHBondContact O-N 2.94Å; Y208-G238 WeakPolarHBondContact CD2-O 3.32Å; Y208-F240 HydrophobicContact CD2-CD2 4.43Å; Y208-F240 AromaticContact CD2-CE2 3.97Å; Y208-F240 HydrophobicContact CD2-CE2 3.97Å; Y208-F240 HydrophobicContact CE2-CE2 4.42Å; Y208-H262 PolarHBondContact O-CE1 3.41Å
209P96.4Very high97.7Very high20 Ų2033.7 Ų33.713%0.1317%0.172CC..SBendcis-71.9178.4330.1-36.4000113.4D29 F207 E211 H262D29-P209 WeakPolarHBondContact OD2-CB 3.37Å; F207-P209 WeakPolarHBondContact CD2-O 3.3Å; P209-E211 VanDerWaalsContact C-N 3.31Å; P209-E211 PolarHBondContact O-N 2.89Å; P209-H262 PolarHBondContact O-NE2 2.79Å
210A97.2Very high97.5Very high16 Ų1635 Ų3513%0.13219%0.19CC..SBendtrans-69.6-25.4-176.100000113.8D29 I212 T232 F240D29-A210 HydrophobicContact CB-CB 4.32Å; D29-A210 WeakPolarHBondContact OD2-CB 3.18Å; D29-A210 PolarHBondContact OD2-N 3.22Å; A210-I212 PolarHBondContact O-N 3.16Å; A210-T232 HydrophobicContact CB-CG2 4.33Å; A210-F240 HydrophobicContact CB-CD1 3.72Å; A210-F240 HydrophobicContact CB-CD2 3.71Å; A210-F240 HydrophobicContact CB-CE1 3.68Å; A210-F240 HydrophobicContact CB-CE2 3.68Å; A210-F240 HydrophobicContact CB-CG 3.75Å; A210-F240 HydrophobicContact CB-CZ 3.69Å
211E97.1Very high97.4Very high144 Ų14441.8 Ų41.867%0.67322%0.222SC*.  trans-64116.9178.8-172.259.3-146.300110.2P209 H262P209-E211 VanDerWaalsContact C-N 3.31Å; P209-E211 PolarHBondContact O-N 2.89Å; E211-H262 PolarHBondContact O-CD2 2.88Å
212I98Very high97.3Very high11 Ų1143.8 Ų43.86%0.05624%0.237CC..  trans-152.8142.9-178.8-163.6171000109.4P184 A204 F207 A210 L214 K242 V260 Q261 H262P184-I212 HydrophobicContact CB-CD1 4.03Å; P184-I212 HydrophobicContact CG-CD1 4.14Å; A204-I212 HydrophobicContact CB-CD1 3.7Å; F207-I212 HydrophobicContact CD1-CD1 3.86Å; F207-I212 HydrophobicContact CD2-CB 4.26Å; F207-I212 HydrophobicContact CD2-CD1 3.96Å; F207-I212 HydrophobicContact CE1-CD1 3.78Å; F207-I212 HydrophobicContact CE1-CG2 4.44Å; F207-I212 HydrophobicContact CE2-CB 3.74Å; F207-I212 HydrophobicContact CE2-CD1 3.9Å; F207-I212 HydrophobicContact CE2-CG1 4.41Å; F207-I212 HydrophobicContact CE2-CG2 3.57Å; F207-I212 HydrophobicContact CG-CD1 3.96Å; F207-I212 HydrophobicContact CZ-CB 4.12Å; F207-I212 HydrophobicContact CZ-CD1 3.83Å; F207-I212 HydrophobicContact CZ-CG2 3.54Å; A210-I212 PolarHBondContact O-N 3.16Å; I212-L214 HydrophobicContact CB-CD1 4.46Å; I212-L214 HydrophobicContact CD1-CD1 3.67Å; I212-L214 HydrophobicContact CG1-CD1 3.65Å; I212-L214 HydrophobicContact CG2-CD1 4.07Å; I212-K242 HydrophobicContact CG2-CB 4.26Å; I212-K242 HydrophobicContact CG2-CD 3.62Å; I212-V260 HydrophobicContact CD1-CG1 3.97Å; I212-V260 HydrophobicContact CG1-CG1 4.3Å; I212-Q261 VanDerWaalsContact CG1-O 3.3Å; I212-Q261 WeakPolarHBondContact CG1-O 3.39Å; I212-H262 HydrophobicContact CD1-CB 4.32Å; I212-H262 HydrophobicContact CG1-CB 4.08Å
213T98.1Very high97.1Very high59 Ų5945.1 Ų45.136%0.36224%0.243SC..EExtended strand (participates in β ladder)trans-114124.1174-62.10000110.1T215 V260 Q261T213-T215 HydrophobicContact CG2-CG2 4.01Å; T213-V260 WeakPolarHBondContact O-CA 3.47Å; T213-Q261 PolarHBondContact N-O 3.27Å; T213-Q261 PolarHBondContact O-N 3.39Å
214L98.1Very high96.7Very high6 Ų647.9 Ų47.93%0.03127%0.265CS..EExtended strand (participates in β ladder)trans-118.5122.3173.1-86.963000108.4A204 I212 L229 K242 A244 H259 V260A204-L214 HydrophobicContact CB-CD1 4.04Å; A204-L214 HydrophobicContact CB-CD2 4.18Å; I212-L214 HydrophobicContact CB-CD1 4.46Å; I212-L214 HydrophobicContact CD1-CD1 3.67Å; I212-L214 HydrophobicContact CG1-CD1 3.65Å; I212-L214 HydrophobicContact CG2-CD1 4.07Å; L214-L229 HydrophobicContact CB-CD1 4.16Å; L214-K242 HydrophobicContact CD1-CD 4.26Å; L214-K242 HydrophobicContact CD2-CB 4.35Å; L214-K242 HydrophobicContact CD2-CG 4.43Å; L214-A244 HydrophobicContact CB-CB 4.04Å; L214-A244 HydrophobicContact CD2-CB 4.31Å; L214-H259 WeakPolarHBondContact CA-O 3.45Å; L214-V260 HydrophobicContact CD1-CG1 4.09Å; L214-V260 HydrophobicContact CG-CG2 4.33Å
215T97.8Very high96.2Very high39 Ų3957 Ų5724%0.23931%0.308CS..EExtended strand (participates in β ladder)trans-131.6146.3176.657.30000111.4T213 C258 H259T213-T215 HydrophobicContact CG2-CG2 4.01Å; T215-C258 CarbonylContact O-C 3.56Å; T215-C258 WeakPolarHBondContact O-CA 3.46Å; T215-H259 PolarHBondContact N-O 3.33Å; T215-H259 PolarHBondContact O-N 3.1Å
216W98.3Very high95.7Very high2 Ų260 Ų601%0.00832%0.324CS..EExtended strand (participates in β ladder)trans-101.7137.3168.9-82.8103.7000109.9V188 L200 C202 Q223 A244 V246 T257 C258V188-W216 HydrophobicContact CG1-CH2 3.86Å; V188-W216 HydrophobicContact CG1-CZ2 4.28Å; V188-W216 HydrophobicContact CG2-CH2 4.29Å; L200-W216 HydrophobicContact CB-CH2 3.68Å; L200-W216 HydrophobicContact CB-CZ2 3.79Å; L200-W216 HydrophobicContact CB-CZ3 4.48Å; L200-W216 HydrophobicContact CD1-CH2 4.03Å; L200-W216 HydrophobicContact CD1-CZ3 4.2Å; C202-W216 HydrophobicContact CB-CZ2 3.65Å; W216-Q223 HydrophobicContact CB-CB 4.3Å; W216-Q223 PolarHBondContact O-N 3.49Å; W216-A244 PolarHBondContact NE1-O 3.18Å; W216-V246 HydrophobicContact CB-CG1 3.66Å; W216-V246 HydrophobicContact CB-CG2 4.41Å; W216-V246 HydrophobicContact CD2-CG1 4.31Å; W216-V246 HydrophobicContact CD2-CG2 3.59Å; W216-V246 HydrophobicContact CE3-CG2 3.99Å; W216-V246 HydrophobicContact CG-CB 4.35Å; W216-V246 HydrophobicContact CG-CG1 3.59Å; W216-V246 HydrophobicContact CG-CG2 3.8Å; W216-V246 HydrophobicContact CZ2-CG2 4.26Å; W216-V246 HydrophobicContact CZ3-CG2 4.48Å; W216-T257 VanDerWaalsContact CE3-C 3.43Å; W216-C258 HydrophobicContact CD2-CB 4.14Å; W216-C258 HydrophobicContact CE3-CB 4.1Å; W216-C258 HydrophobicContact CH2-CB 4Å; W216-C258 HydrophobicContact CZ2-CB 4.04Å; W216-C258 HydrophobicContact CZ3-CB 4.02Å
217Q98.1Very high95.5Very high42 Ų4260.3 Ų60.320%0.19632%0.323CS..EExtended strand (participates in β ladder)trans-123.2144.3171.7-74.1-177.9-4.300110.5E221 D222 Y256 T257 H259Q217-E221 CarbonylContact C-O 3.55Å; Q217-E221 VanDerWaalsContact CA-O 3.23Å; Q217-E221 WeakPolarHBondContact CA-O 3.07Å; Q217-D222 WeakPolarHBondContact CG-OD1 3.41Å; Q217-D222 PolarHBondContact NE2-OD1 3.12Å; Q217-Y256 CarbonylContact O-C 3.53Å; Q217-Y256 VanDerWaalsContact O-CA 3.27Å; Q217-Y256 WeakPolarHBondContact O-CA 3.32Å; Q217-T257 PolarHBondContact N-O 2.87Å; Q217-T257 PolarHBondContact O-N 3.1Å; Q217-H259 VanDerWaalsContact CD-NE2 3.32Å; Q217-H259 PolarHBondContact OE1-NE2 3.25Å
218R97.4Very high95.5Very high70 Ų7065.7 Ų65.726%0.26435%0.348SS..EExtended strand (participates in β ladder)trans-115.5118168.8-176-172.8-176.2178.8-2.3108.3G220 E221 Q223 E252 R255 Y256R218-G220 PolarHBondContact O-N 3.12Å; R218-E221 PolarHBondContact N-O 2.67Å; R218-E221 PolarHBondContact O-N 2.88Å; R218-Q223 HydrophobicContact CB-CG 3.99Å; R218-E252 IonicContact CZ-OE2 3.96Å; R218-E252 IonicContact NE-OE2 3.48Å; R218-E252 IonicContact NH2-OE1 2.7Å; R218-E252 IonicContact NH2-OE2 2.62Å; R218-E252 PolarHBondContact NH2-OE2 3.25Å; R218-R255 WeakPolarHBondContact CA-O 3.17Å; R218-R255 HydrophobicContact CG-CB 4.4Å; R218-Y256 HydrophobicContact CB-CD1 4.05Å; R218-Y256 HydrophobicContact CB-CE1 3.83Å; R218-Y256 WeakPolarHBondContact CD-OH 3.43Å; R218-Y256 HydrophobicContact CG-CD1 4.41Å; R218-Y256 HydrophobicContact CG-CE1 3.99Å; R218-Y256 HydrophobicContact CG-CE2 4.16Å; R218-Y256 PolarHBondContact NE-OH 2.81Å
219D95.7Very high95.5Very high98 Ų9869.9 Ų69.952%0.52437%0.37SS..THydrogen-bonded Turntrans50.329.4-176-52.8-52000114.4R255D219-R255 PolarHBondContact N-O 2.83Å; D219-R255 IonicContact OD1-NE 3.84Å; D219-R255 PolarHBondContact OD1-NE 3.46Å; D219-R255 IonicContact OD2-CZ 3.69Å; D219-R255 IonicContact OD2-NE 2.72Å; D219-R255 PolarHBondContact OD2-NE 2.94Å; D219-R255 IonicContact OD2-NH2 3.75Å; D219-R255 PolarHBondContact OD2-NH2 3.07Å
220G92.4Very high95.5Very high50 Ų5070.5 Ų70.552%0.51537%0.374SS..THydrogen-bonded Turntrans92.5-3.1-177.900000115.6R218R218-G220 PolarHBondContact O-N 3.12Å
221E96.1Very high95.5Very high143 Ų14378 Ų7867%0.66841%0.406SS*.EExtended strand (participates in β ladder)trans-97.9128.4177-63.2-172.9168.800111.9Q217 R218 Q223Q217-E221 CarbonylContact C-O 3.55Å; Q217-E221 VanDerWaalsContact CA-O 3.23Å; Q217-E221 WeakPolarHBondContact CA-O 3.07Å; R218-E221 PolarHBondContact N-O 2.67Å; R218-E221 PolarHBondContact O-N 2.88Å; E221-Q223 PolarHBondContact O-NE2 3.26Å
222D96Very high95.5Very high95 Ų9573.3 Ų73.351%0.50839%0.387SS..EExtended strand (participates in β ladder)trans-62.9134.7-179.2-70.7-21.1000112.3Q217Q217-D222 WeakPolarHBondContact CG-OD1 3.41Å; Q217-D222 PolarHBondContact NE2-OD1 3.12Å
223Q95.3Very high95.5Very high29 Ų2977.4 Ų77.414%0.13640%0.402CS..  trans-105.638.2-177.4-58.1-59.8-66.800112.3W216 R218 E221 Q225 D226 T227 V246 Y256W216-Q223 HydrophobicContact CB-CB 4.3Å; W216-Q223 PolarHBondContact O-N 3.49Å; R218-Q223 HydrophobicContact CB-CG 3.99Å; E221-Q223 PolarHBondContact O-NE2 3.26Å; Q223-Q225 VanDerWaalsContact C-N 3.31Å; Q223-Q225 PolarHBondContact O-N 3.05Å; Q223-D226 PolarHBondContact O-N 3.14Å; Q223-T227 WeakPolarHBondContact O-CB 3.38Å; Q223-T227 PolarHBondContact O-N 2.91Å; Q223-T227 VanDerWaalsContact O-N 3.07Å; Q223-T227 PolarHBondContact O-OG1 3.39Å; Q223-V246 HydrophobicContact CB-CG1 4.44Å; Q223-Y256 HydrophobicContact CG-CE1 4.43Å
224T88.8Confident95.5Very high106 Ų10679.1 Ų79.165%0.6541%0.414SS*.THydrogen-bonded Turntrans-58.5-36-168.9-46.40000114.2
225Q88.9Confident95.4Very high191 Ų19181.1 Ų81.189%0.89343%0.431SS*.THydrogen-bonded Turntrans-76.6-31.7-178.4-65.5-173.99.200113Q223 T227Q223-Q225 VanDerWaalsContact C-N 3.31Å; Q223-Q225 PolarHBondContact O-N 3.05Å; Q225-T227 VanDerWaalsContact C-N 3.34Å
226D87.1Confident95.2Very high116 Ų11683 Ų8362%0.6246%0.458SS*.THydrogen-bonded Turntrans-93.30.3-178.2-57.3-52.5000112.4Q223Q223-D226 PolarHBondContact O-N 3.14Å
227T94.6Very high94.9Very high24 Ų2488.3 Ų88.315%0.14749%0.487CS..EExtended strand (participates in β ladder)trans-93.6120.7179.1-620000110.9Q223 Q225 L229 A244 A245 V246Q223-T227 WeakPolarHBondContact O-CB 3.38Å; Q223-T227 PolarHBondContact O-N 2.91Å; Q223-T227 VanDerWaalsContact O-N 3.07Å; Q223-T227 PolarHBondContact O-OG1 3.39Å; Q225-T227 VanDerWaalsContact C-N 3.34Å; T227-L229 HydrophobicContact CG2-CB 4.4Å; T227-L229 PolarHBondContact O-N 2.86Å; T227-A244 HydrophobicContact CG2-CB 3.92Å; T227-A245 CarbonylContact C-O 3.57Å; T227-A245 WeakPolarHBondContact CA-O 3.36Å; T227-V246 HydrophobicContact CG2-CG1 4.35Å; T227-V246 VanDerWaalsContact OG1-CG1 3.23Å; T227-V246 WeakPolarHBondContact OG1-CG1 3.25Å
228E96.7Very high94.6Very high114 Ų11488.4 Ų88.453%0.53350%0.499SS..EExtended strand (participates in β ladder)trans-76.6106.6162.8-173.8-174.5-171.900108.9W243 A244 A245E228-W243 HydrophobicContact CB-CZ3 4.24Å; E228-W243 HydrophobicContact CG-CH2 3.91Å; E228-W243 HydrophobicContact CG-CZ3 3.84Å; E228-W243 WeakPolarHBondContact OE1-CH2 3.2Å; E228-A244 CarbonylContact O-C 3.55Å; E228-A244 WeakPolarHBondContact O-CA 3.24Å; E228-A245 HydrophobicContact CB-CB 4.42Å; E228-A245 PolarHBondContact N-O 3.35Å; E228-A245 PolarHBondContact O-N 2.84Å
229L97Very high94.5Very high92 Ų9285.4 Ų85.448%0.48249%0.488SS..EExtended strand (participates in β ladder)trans-111.5119.9178.5-174.368.3000110.1L214 T227 K242 A244L214-L229 HydrophobicContact CB-CD1 4.16Å; T227-L229 HydrophobicContact CG2-CB 4.4Å; T227-L229 PolarHBondContact O-N 2.86Å; L229-K242 HydrophobicContact CD1-CD 4.43Å; L229-A244 HydrophobicContact CD1-CB 3.64Å
230V96.9Very high94.7Very high34 Ų3481.9 Ų81.921%0.20647%0.468CS..PPolyproline II helixtrans-84.6153.9175.5-64.70000112.4K242 W243V230-K242 HydrophobicContact CG2-CG 4.38Å; V230-K242 VanDerWaalsContact O-CE 3.27Å; V230-K242 WeakPolarHBondContact O-CE 3.36Å; V230-K242 WeakPolarHBondContact O-CG 3.45Å; V230-K242 PolarHBondContact O-NZ 3.36Å; V230-W243 HydrophobicContact CB-CZ2 4.39Å; V230-W243 HydrophobicContact CG1-CD2 3.97Å; V230-W243 HydrophobicContact CG1-CE3 4.27Å; V230-W243 HydrophobicContact CG1-CH2 3.56Å; V230-W243 HydrophobicContact CG1-CZ2 3.16Å; V230-W243 HydrophobicContact CG1-CZ3 4.08Å; V230-W243 HydrophobicContact CG2-CD2 3.76Å; V230-W243 HydrophobicContact CG2-CE3 4.48Å; V230-W243 HydrophobicContact CG2-CG 3.74Å; V230-W243 HydrophobicContact CG2-CZ2 4.39Å; V230-W243 WeakPolarHBondContact CG2-O 3.19Å; V230-W243 PolarHBondContact N-O 2.04Å
231E96.9Very high94.9Very high172 Ų17281.6 Ų81.680%0.80445%0.454SS*.PPolyproline II helixtrans-57.9147.5167.2-67.8-175.5173.100111.2R233E231-R233 PolarHBondContact O-N 2.89Å
232T98Very high95Very high46 Ų4675.8 Ų75.828%0.28243%0.426SS..PPolyproline II helixtrans-68.1130174.6-56.80000108.5F207 A210 F240 K242F207-T232 HydrophobicContact CE2-CG2 4.05Å; F207-T232 HydrophobicContact CZ-CG2 3.88Å; A210-T232 HydrophobicContact CB-CG2 4.33Å; T232-F240 HydrophobicContact CG2-CB 3.77Å; T232-F240 HydrophobicContact CG2-CD1 3.92Å; T232-F240 HydrophobicContact CG2-CG 4.12Å; T232-K242 WeakPolarHBondContact OG1-CD 3.48Å; T232-K242 PolarHBondContact OG1-NZ 3.02Å; T232-K242 VanDerWaalsContact OG1-NZ 3.17Å
233R97.4Very high95.2Very high98 Ų9872.4 Ų72.437%0.3741%0.406SS..EExtended strand (participates in β ladder)trans-125.5145-174.568.4-167.5-179.6-177.14.6111.4E231 F240 Q241E231-R233 PolarHBondContact O-N 2.89Å; R233-F240 WeakPolarHBondContact O-CA 3.46Å; R233-Q241 HydrophobicContact CG-CG 3.57Å; R233-Q241 PolarHBondContact N-O 2.83Å; R233-Q241 WeakPolarHBondContact O-CG 3.5Å; R233-Q241 PolarHBondContact O-N 3.44Å
234P97.2Very high95.3Very high94 Ų9471 Ų7161%0.6140%0.4SS*.EExtended strand (participates in β ladder)trans-68.4145177.928.5-34.5000111.1F240P234-F240 HydrophobicContact CB-CE1 4.32Å
235A96.4Very high95.7Very high49 Ų4966.1 Ų66.141%0.40537%0.37SS..  trans-87.9-18.5172.900000112.8D237 T239A235-D237 WeakPolarHBondContact CB-OD1 3.38Å; A235-T239 WeakPolarHBondContact CB-O 3.48Å; A235-T239 PolarHBondContact N-O 3.3Å
236G93.4Very high96.2Very high77 Ų7757.1 Ų57.179%0.79433%0.328SS*.SBendtrans96.7-6.5179.100000114.9
237D92.4Very high96.7Very high115 Ų11555.4 Ų55.462%0.61532%0.321SS*.SBendtrans-105.512.1176.260.81.2000113A235 T239A235-D237 WeakPolarHBondContact CB-OD1 3.38Å; D237-T239 WeakPolarHBondContact OD1-CB 3.47Å; D237-T239 PolarHBondContact OD1-N 2.89Å; D237-T239 PolarHBondContact OD1-OG1 3.05Å
238G91.5Very high96.8Very high43 Ų4354.3 Ų54.344%0.44332%0.315SS..SBendtrans90.5-3.8-173.800000114.3Y208Y208-G238 WeakPolarHBondContact CD2-O 3.32Å
239T96.5Very high96.8Very high7 Ų751 Ų514%0.04330%0.303CS..  trans-102.9173.3174.874.30000112.5E182 G206 F207 A235 D237E182-T239 WeakPolarHBondContact OE2-CG2 3.39Å; G206-T239 WeakPolarHBondContact CA-OG1 3.43Å; F207-T239 WeakPolarHBondContact O-CA 3.25Å; A235-T239 WeakPolarHBondContact CB-O 3.48Å; A235-T239 PolarHBondContact N-O 3.3Å; D237-T239 WeakPolarHBondContact OD1-CB 3.47Å; D237-T239 PolarHBondContact OD1-N 2.89Å; D237-T239 PolarHBondContact OD1-OG1 3.05Å
240F98.1Very high96.6Very high25 Ų2549.3 Ų49.311%0.1130%0.299CS..EExtended strand (participates in β ladder)trans-121.2163.1-177.6-64-86.7000112.4D29 G206 F207 Y208 A210 T232 R233 P234D29-F240 HydrophobicContact CB-CE2 3.78Å; D29-F240 HydrophobicContact CB-CZ 3.71Å; G206-F240 PolarHBondContact N-O 2.82Å; F207-F240 VanDerWaalsContact CD1-O 3.32Å; F207-F240 WeakPolarHBondContact CD1-O 3.33Å; F207-F240 HydrophobicContact CD2-CB 3.92Å; F207-F240 HydrophobicContact CE1-CB 4.28Å; F207-F240 WeakPolarHBondContact CE1-O 3.2Å; F207-F240 HydrophobicContact CE2-CB 3.47Å; F207-F240 VanDerWaalsContact CE2-CB 3.47Å; F207-F240 HydrophobicContact CE2-CG 4.47Å; F207-F240 HydrophobicContact CG-CB 4.48Å; F207-F240 HydrophobicContact CZ-CB 3.66Å; F207-F240 PolarHBondContact N-O 2.82Å; F207-F240 PolarHBondContact O-N 3.09Å; Y208-F240 HydrophobicContact CD2-CD2 4.43Å; Y208-F240 AromaticContact CD2-CE2 3.97Å; Y208-F240 HydrophobicContact CD2-CE2 3.97Å; Y208-F240 HydrophobicContact CE2-CE2 4.42Å; A210-F240 HydrophobicContact CB-CD1 3.72Å; A210-F240 HydrophobicContact CB-CD2 3.71Å; A210-F240 HydrophobicContact CB-CE1 3.68Å; A210-F240 HydrophobicContact CB-CE2 3.68Å; A210-F240 HydrophobicContact CB-CG 3.75Å; A210-F240 HydrophobicContact CB-CZ 3.69Å; T232-F240 HydrophobicContact CG2-CB 3.77Å; T232-F240 HydrophobicContact CG2-CD1 3.92Å; T232-F240 HydrophobicContact CG2-CG 4.12Å; R233-F240 WeakPolarHBondContact O-CA 3.46Å; P234-F240 HydrophobicContact CB-CE1 4.32Å
241Q98.3Very high96.3Very high44 Ų4451 Ų5121%0.20632%0.323CS..EExtended strand (participates in β ladder)trans-141.4146.2174.642.5166.4-20.400110.2A204 L205 R233A204-Q241 CarbonylContact O-C 3.57Å; A204-Q241 VanDerWaalsContact O-CA 3.28Å; A204-Q241 WeakPolarHBondContact O-CA 3.36Å; L205-Q241 HydrophobicContact CD2-CB 3.54Å; R233-Q241 HydrophobicContact CG-CG 3.57Å; R233-Q241 PolarHBondContact N-O 2.83Å; R233-Q241 WeakPolarHBondContact O-CG 3.5Å; R233-Q241 PolarHBondContact O-N 3.44Å
242K98.6Very high96.2Very high21 Ų2145.3 Ų45.39%0.09130%0.296CS..EExtended strand (participates in β ladder)trans-151155.5176.8-161.7-174.5-171.9700108.9A204 F207 I212 L214 L229 V230 T232A204-K242 PolarHBondContact N-O 2.8Å; A204-K242 PolarHBondContact O-N 3.14Å; A204-K242 VanDerWaalsContact O-O 3.09Å; F207-K242 HydrophobicContact CE1-CB 4.39Å; F207-K242 HydrophobicContact CZ-CB 4.12Å; I212-K242 HydrophobicContact CG2-CB 4.26Å; I212-K242 HydrophobicContact CG2-CD 3.62Å; L214-K242 HydrophobicContact CD1-CD 4.26Å; L214-K242 HydrophobicContact CD2-CB 4.35Å; L214-K242 HydrophobicContact CD2-CG 4.43Å; L229-K242 HydrophobicContact CD1-CD 4.43Å; V230-K242 HydrophobicContact CG2-CG 4.38Å; V230-K242 VanDerWaalsContact O-CE 3.27Å; V230-K242 WeakPolarHBondContact O-CE 3.36Å; V230-K242 WeakPolarHBondContact O-CG 3.45Å; V230-K242 PolarHBondContact O-NZ 3.36Å; T232-K242 WeakPolarHBondContact OG1-CD 3.48Å; T232-K242 PolarHBondContact OG1-NZ 3.02Å; T232-K242 VanDerWaalsContact OG1-NZ 3.17Å
243W98.4Very high96.1Very high24 Ų2444 Ų449%0.09129%0.287CS..EExtended strand (participates in β ladder)trans-144.1157.1169.158.7-97.8000111.6R201 C202 W203 E228 V230 A245R201-W243 HydrophobicContact CG-CB 4Å; R201-W243 HydrophobicContact CG-CD2 4.13Å; R201-W243 HydrophobicContact CG-CE3 3.89Å; R201-W243 HydrophobicContact CG-CG 4.22Å; C202-W243 CarbonylContact O-C 3.6Å; C202-W243 WeakPolarHBondContact O-CA 3.37Å; C202-W243 WeakPolarHBondContact O-CB 3.14Å; W203-W243 HydrophobicContact CD2-CB 3.94Å; W203-W243 HydrophobicContact CD2-CG 4.45Å; W203-W243 HydrophobicContact CE3-CB 3.86Å; W203-W243 AromaticContact CE3-CD1 3.86Å; W203-W243 HydrophobicContact CE3-CG 4.16Å; W203-W243 HydrophobicContact CG-CB 4.38Å; W203-W243 AromaticContact CH2-CD1 3.61Å; W203-W243 HydrophobicContact CH2-CG 4.23Å; W203-W243 HydrophobicContact CZ3-CB 4.27Å; W203-W243 AromaticContact CZ3-CD1 3.37Å; W203-W243 HydrophobicContact CZ3-CG 4.06Å; E228-W243 HydrophobicContact CB-CZ3 4.24Å; E228-W243 HydrophobicContact CG-CH2 3.91Å; E228-W243 HydrophobicContact CG-CZ3 3.84Å; E228-W243 WeakPolarHBondContact OE1-CH2 3.2Å; V230-W243 HydrophobicContact CB-CZ2 4.39Å; V230-W243 HydrophobicContact CG1-CD2 3.97Å; V230-W243 HydrophobicContact CG1-CE3 4.27Å; V230-W243 HydrophobicContact CG1-CH2 3.56Å; V230-W243 HydrophobicContact CG1-CZ2 3.16Å; V230-W243 HydrophobicContact CG1-CZ3 4.08Å; V230-W243 HydrophobicContact CG2-CD2 3.76Å; V230-W243 HydrophobicContact CG2-CE3 4.48Å; V230-W243 HydrophobicContact CG2-CG 3.74Å; V230-W243 HydrophobicContact CG2-CZ2 4.39Å; V230-W243 WeakPolarHBondContact CG2-O 3.19Å; V230-W243 PolarHBondContact N-O 2.04Å; W243-A245 HydrophobicContact CE3-CB 3.96Å; W243-A245 HydrophobicContact CZ3-CB 3.67Å
244A98.3Very high96Very high0 Ų043.6 Ų43.60%029%0.289CS..EExtended strand (participates in β ladder)trans-130132.1174.400000108.5R201 C202 L214 W216 T227 E228 L229R201-A244 WeakPolarHBondContact CA-O 3.36Å; C202-A244 PolarHBondContact N-O 2.94Å; C202-A244 PolarHBondContact O-N 2.93Å; L214-A244 HydrophobicContact CB-CB 4.04Å; L214-A244 HydrophobicContact CD2-CB 4.31Å; W216-A244 PolarHBondContact NE1-O 3.18Å; T227-A244 HydrophobicContact CG2-CB 3.92Å; E228-A244 CarbonylContact O-C 3.55Å; E228-A244 WeakPolarHBondContact O-CA 3.24Å; L229-A244 HydrophobicContact CD1-CB 3.64Å
245A98.1Very high96Very high2 Ų243.9 Ų43.92%0.01728%0.278CS..EExtended strand (participates in β ladder)trans-125.4145-179.600000112.4T199 L200 R201 T227 E228 W243T199-A245 HydrophobicContact CG2-CB 3.92Å; L200-A245 CarbonylContact O-C 3.5Å; L200-A245 WeakPolarHBondContact O-CA 3.07Å; R201-A245 HydrophobicContact CB-CB 4.09Å; R201-A245 HydrophobicContact CG-CB 4.15Å; T227-A245 CarbonylContact C-O 3.57Å; T227-A245 WeakPolarHBondContact CA-O 3.36Å; E228-A245 HydrophobicContact CB-CB 4.42Å; E228-A245 PolarHBondContact N-O 3.35Å; E228-A245 PolarHBondContact O-N 2.84Å; W243-A245 HydrophobicContact CE3-CB 3.96Å; W243-A245 HydrophobicContact CZ3-CB 3.67Å
246V97.9Very high96Very high3 Ų341.9 Ų41.92%0.01826%0.26CS..EExtended strand (participates in β ladder)trans-132144.8174.4-72.90000109.6T199 L200 W216 Q223 T227 V248 Y256T199-V246 WeakPolarHBondContact CA-O 3.04Å; L200-V246 HydrophobicContact CB-CG2 4.2Å; L200-V246 PolarHBondContact N-O 2.89Å; L200-V246 PolarHBondContact O-N 3.39Å; W216-V246 HydrophobicContact CB-CG1 3.66Å; W216-V246 HydrophobicContact CB-CG2 4.41Å; W216-V246 HydrophobicContact CD2-CG1 4.31Å; W216-V246 HydrophobicContact CD2-CG2 3.59Å; W216-V246 HydrophobicContact CE3-CG2 3.99Å; W216-V246 HydrophobicContact CG-CB 4.35Å; W216-V246 HydrophobicContact CG-CG1 3.59Å; W216-V246 HydrophobicContact CG-CG2 3.8Å; W216-V246 HydrophobicContact CZ2-CG2 4.26Å; W216-V246 HydrophobicContact CZ3-CG2 4.48Å; Q223-V246 HydrophobicContact CB-CG1 4.44Å; T227-V246 HydrophobicContact CG2-CG1 4.35Å; T227-V246 VanDerWaalsContact OG1-CG1 3.23Å; T227-V246 WeakPolarHBondContact OG1-CG1 3.25Å; V246-V248 HydrophobicContact CB-CG1 4.41Å; V246-V248 HydrophobicContact CG2-CG1 3.79Å; V246-Y256 HydrophobicContact CG2-CD1 4.13Å
247V97.4Very high96.3Very high80 Ų8038.8 Ų38.849%0.48523%0.226SC..EExtended strand (participates in β ladder)trans-86.8128.1168.9-178.50000107.9E197E197-V247 HydrophobicContact CB-CG1 4.1Å; E197-V247 HydrophobicContact CG-CG1 4.32Å
248V96.6Very high96.5Very high1 Ų133.3 Ų33.31%0.00620%0.196CC..EExtended strand (participates in β ladder)trans-126.8144.4-175.7-52.80000110.5E197 A198 L200 V246 E253 Y256E197-V248 WeakPolarHBondContact CA-O 3.36Å; A198-V248 HydrophobicContact CB-CG2 4.47Å; A198-V248 PolarHBondContact N-O 2.95Å; A198-V248 WeakPolarHBondContact O-CG2 3.44Å; A198-V248 PolarHBondContact O-N 3.26Å; L200-V248 HydrophobicContact CD1-CG1 4.03Å; L200-V248 HydrophobicContact CD1-CG2 4.05Å; L200-V248 HydrophobicContact CG-CG1 4.18Å; L200-V248 HydrophobicContact CG-CG2 3.84Å; V246-V248 HydrophobicContact CB-CG1 4.41Å; V246-V248 HydrophobicContact CG2-CG1 3.79Å; V248-E253 HydrophobicContact CG2-CG 3.93Å; V248-Y256 HydrophobicContact CB-CD2 3.98Å; V248-Y256 HydrophobicContact CB-CE2 3.67Å; V248-Y256 HydrophobicContact CG1-CD1 3.73Å; V248-Y256 HydrophobicContact CG1-CD2 3.57Å; V248-Y256 HydrophobicContact CG1-CE1 3.68Å; V248-Y256 HydrophobicContact CG1-CE2 3.54Å; V248-Y256 HydrophobicContact CG1-CG 3.67Å
249P96.4Very high96.9Very high45 Ų4532.9 Ų32.929%0.29218%0.183SC..EExtended strand (participates in β ladder)trans-62.5140.5170.4-20.532.4000111.2H196 G251 E252H196-P249 CarbonylContact O-C 3.42Å; H196-P249 WeakPolarHBondContact O-CA 3.45Å; P249-G251 PolarHBondContact O-N 3.43Å; P249-E252 HydrophobicContact CB-CB 4.31Å; P249-E252 HydrophobicContact CB-CG 4.11Å; P249-E252 WeakPolarHBondContact O-CB 3.23Å; P249-E252 PolarHBondContact O-N 3.49Å
250S92.9Very high96.9Very high56 Ų5632.5 Ų32.539%0.39218%0.181SC..THydrogen-bonded Turntrans-59.4130176.5-62.80000111.3H196 E197 E252 E253H196-S250 PolarHBondContact O-N 3.03Å; H196-S250 PolarHBondContact O-OG 3.49Å; E197-S250 PolarHBondContact N-OG 3.42Å; S250-E252 VanDerWaalsContact C-N 3.34Å; S250-E253 WeakPolarHBondContact CA-OE1 3.37Å
251G91.9Very high96.9Very high68 Ų6836.2 Ų36.270%0.70120%0.198SC*.THydrogen-bonded Turntrans88.6-7.1-176.400000114.6P249 E253P249-G251 PolarHBondContact O-N 3.43Å; G251-E253 WeakPolarHBondContact CA-OE2 3.47Å; G251-E253 VanDerWaalsContact N-CD 3.3Å; G251-E253 PolarHBondContact N-OE1 2.88Å; G251-E253 PolarHBondContact N-OE2 3.08Å
252E95.4Very high96.9Very high53 Ų5334.9 Ų34.925%0.24819%0.192CC..  trans-100.13.8175.7-65.6-160-157.800113.7R218 P249 S250 Q254 R255 Y256R218-E252 IonicContact CZ-OE2 3.96Å; R218-E252 IonicContact NE-OE2 3.48Å; R218-E252 IonicContact NH2-OE1 2.7Å; R218-E252 IonicContact NH2-OE2 2.62Å; R218-E252 PolarHBondContact NH2-OE2 3.25Å; P249-E252 HydrophobicContact CB-CB 4.31Å; P249-E252 HydrophobicContact CB-CG 4.11Å; P249-E252 WeakPolarHBondContact O-CB 3.23Å; P249-E252 PolarHBondContact O-N 3.49Å; S250-E252 VanDerWaalsContact C-N 3.34Å; E252-Q254 PolarHBondContact O-N 3.02Å; E252-R255 WeakPolarHBondContact O-CB 3.45Å; E252-R255 PolarHBondContact O-N 3.13Å; E252-R255 IonicContact OE1-NH1 3.12Å; E252-R255 IonicContact OE2-CZ 2.67Å; E252-R255 IonicContact OE2-NE 3.1Å; E252-R255 IonicContact OE2-NH1 3.53Å; E252-R255 PolarHBondContact OE2-NH1 3Å; E252-Y256 HydrophobicContact CB-CE2 4.33Å; E252-Y256 WeakPolarHBondContact O-CD2 3.32Å
253E95.1Very high96.7Very high18 Ų1841 Ų418%0.08422%0.221CC..G310 helixtrans-57-33.3-171-57.981.5-17900112.6H190 L200 V248 S250 G251 R255 Y256 W273H190-E253 IonicContact NE2-OE1 3.66Å; L200-E253 HydrophobicContact CD1-CB 4.12Å; L200-E253 HydrophobicContact CD2-CG 4.34Å; V248-E253 HydrophobicContact CG2-CG 3.93Å; S250-E253 WeakPolarHBondContact CA-OE1 3.37Å; G251-E253 WeakPolarHBondContact CA-OE2 3.47Å; G251-E253 VanDerWaalsContact N-CD 3.3Å; G251-E253 PolarHBondContact N-OE1 2.88Å; G251-E253 PolarHBondContact N-OE2 3.08Å; E253-R255 VanDerWaalsContact C-N 3.26Å; E253-R255 PolarHBondContact O-N 3.35Å; E253-Y256 PolarHBondContact O-N 3.12Å; E253-Y256 VanDerWaalsContact O-N 3.17Å; E253-W273 HydrophobicContact CB-CD2 4.44Å; E253-W273 HydrophobicContact CB-CE3 3.41Å; E253-W273 VanDerWaalsContact CB-CE3 3.41Å; E253-W273 HydrophobicContact CB-CZ3 3.8Å; E253-W273 HydrophobicContact CG-CE3 3.73Å; E253-W273 HydrophobicContact CG-CZ3 3.75Å
254Q95.3Very high96.5Very high90 Ų9040.5 Ų40.542%0.42122%0.223SC..G310 helixtrans-72.6-15.4-179.4-63.2-57.5-47.100114.2E252 Y256 W273E252-Q254 PolarHBondContact O-N 3.02Å; Q254-Y256 VanDerWaalsContact C-N 3.25Å; Q254-W273 PolarHBondContact NE2-O 3.34Å
255R96.7Very high96.4Very high100 Ų10041.6 Ų41.638%0.37723%0.229SC..G310 helixtrans-76.7-17172.6-63.617467.3179.76.4112R218 D219 E252 E253R218-R255 WeakPolarHBondContact CA-O 3.17Å; R218-R255 HydrophobicContact CG-CB 4.4Å; D219-R255 PolarHBondContact N-O 2.83Å; D219-R255 IonicContact OD1-NE 3.84Å; D219-R255 PolarHBondContact OD1-NE 3.46Å; D219-R255 IonicContact OD2-CZ 3.69Å; D219-R255 IonicContact OD2-NE 2.72Å; D219-R255 PolarHBondContact OD2-NE 2.94Å; D219-R255 IonicContact OD2-NH2 3.75Å; D219-R255 PolarHBondContact OD2-NH2 3.07Å; E252-R255 WeakPolarHBondContact O-CB 3.45Å; E252-R255 PolarHBondContact O-N 3.13Å; E252-R255 IonicContact OE1-NH1 3.12Å; E252-R255 IonicContact OE2-CZ 2.67Å; E252-R255 IonicContact OE2-NE 3.1Å; E252-R255 IonicContact OE2-NH1 3.53Å; E252-R255 PolarHBondContact OE2-NH1 3Å; E253-R255 VanDerWaalsContact C-N 3.26Å; E253-R255 PolarHBondContact O-N 3.35Å
256Y97.7Very high96.3Very high7 Ų747.2 Ų47.23%0.02727%0.265CS..EExtended strand (participates in β ladder)trans-96131.7-178.4-66.7-98.5000111Q217 R218 Q223 V246 V248 E252 E253 Q254Q217-Y256 CarbonylContact O-C 3.53Å; Q217-Y256 VanDerWaalsContact O-CA 3.27Å; Q217-Y256 WeakPolarHBondContact O-CA 3.32Å; R218-Y256 HydrophobicContact CB-CD1 4.05Å; R218-Y256 HydrophobicContact CB-CE1 3.83Å; R218-Y256 WeakPolarHBondContact CD-OH 3.43Å; R218-Y256 HydrophobicContact CG-CD1 4.41Å; R218-Y256 HydrophobicContact CG-CE1 3.99Å; R218-Y256 HydrophobicContact CG-CE2 4.16Å; R218-Y256 PolarHBondContact NE-OH 2.81Å; Q223-Y256 HydrophobicContact CG-CE1 4.43Å; V246-Y256 HydrophobicContact CG2-CD1 4.13Å; V248-Y256 HydrophobicContact CB-CD2 3.98Å; V248-Y256 HydrophobicContact CB-CE2 3.67Å; V248-Y256 HydrophobicContact CG1-CD1 3.73Å; V248-Y256 HydrophobicContact CG1-CD2 3.57Å; V248-Y256 HydrophobicContact CG1-CE1 3.68Å; V248-Y256 HydrophobicContact CG1-CE2 3.54Å; V248-Y256 HydrophobicContact CG1-CG 3.67Å; E252-Y256 HydrophobicContact CB-CE2 4.33Å; E252-Y256 WeakPolarHBondContact O-CD2 3.32Å; E253-Y256 PolarHBondContact O-N 3.12Å; E253-Y256 VanDerWaalsContact O-N 3.17Å; Q254-Y256 VanDerWaalsContact C-N 3.25Å
257T98.1Very high96.2Very high12 Ų1254.2 Ų54.27%0.07430%0.298CS..EExtended strand (participates in β ladder)trans-127.7130.9176.548.20000110W216 Q217 H259 T270 L271 R272W216-T257 VanDerWaalsContact CE3-C 3.43Å; Q217-T257 PolarHBondContact N-O 2.87Å; Q217-T257 PolarHBondContact O-N 3.1Å; T257-H259 PolarHBondContact OG1-NE2 3.28Å; T257-T270 HydrophobicContact CG2-CG2 3.92Å; T257-L271 CarbonylContact C-O 3.51Å; T257-L271 WeakPolarHBondContact CA-O 3.23Å; T257-R272 HydrophobicContact CG2-CG 3.64Å; T257-R272 VanDerWaalsContact CG2-NE 3.29Å
258C98.3Very high96.1Very high0 Ų054.2 Ų54.20%030%0.3CS..EExtended strand (participates in β ladder)trans-90.3131.1169.7174.70000109.5C202 T215 W216 T270 L271C202-C258 HydrophobicContact CB-CB 3.5Å; C202-C258 VanDerWaalsContact CB-CB 3.5Å; C202-C258 WeakPolarHBondContact CB-SG 3.47Å; C202-C258 WeakPolarHBondContact SG-CB 3.24Å; C202-C258 CovalentContact SG-SG 2.03Å; C202-C258 PolarHBondContact SG-SG 3.41Å; T215-C258 CarbonylContact O-C 3.56Å; T215-C258 WeakPolarHBondContact O-CA 3.46Å; W216-C258 HydrophobicContact CD2-CB 4.14Å; W216-C258 HydrophobicContact CE3-CB 4.1Å; W216-C258 HydrophobicContact CH2-CB 4Å; W216-C258 HydrophobicContact CZ2-CB 4.04Å; W216-C258 HydrophobicContact CZ3-CB 4.02Å; C258-T270 CarbonylContact O-C 3.59Å; C258-T270 WeakPolarHBondContact O-CA 3.18Å; C258-L271 HydrophobicContact CB-CB 4.31Å; C258-L271 PolarHBondContact N-O 3.15Å; C258-L271 PolarHBondContact O-N 2.88Å
259H98.1Very high96.1Very high34 Ų3457 Ų5716%0.15731%0.314CS..EExtended strand (participates in β ladder)trans-109.6133.4174.7-64.7-97.6000110.2L214 T215 Q217 T257 L269 T270L214-H259 WeakPolarHBondContact CA-O 3.45Å; T215-H259 PolarHBondContact N-O 3.33Å; T215-H259 PolarHBondContact O-N 3.1Å; Q217-H259 VanDerWaalsContact CD-NE2 3.32Å; Q217-H259 PolarHBondContact OE1-NE2 3.25Å; T257-H259 PolarHBondContact OG1-NE2 3.28Å; H259-L269 CarbonylContact C-O 3.52Å; H259-L269 VanDerWaalsContact CA-O 3.29Å; H259-L269 WeakPolarHBondContact CA-O 3.26Å; H259-T270 PolarHBondContact CE1-OG1 3.41Å; H259-T270 PolarHBondContact ND1-OG1 2.92Å; H259-T270 VanDerWaalsContact ND1-OG1 3.1Å
260V98.4Very high96.2Very high0 Ų058.9 Ų58.90%033%0.325CS..EExtended strand (participates in β ladder)trans-125.1120.4-178-174.20000109.2P184 T186 I212 T213 L214 L265 P268 L269 L271P184-V260 HydrophobicContact CG-CG1 3.95Å; T186-V260 HydrophobicContact CG2-CB 4.47Å; T186-V260 HydrophobicContact CG2-CG1 4.18Å; T186-V260 HydrophobicContact CG2-CG2 4.08Å; I212-V260 HydrophobicContact CD1-CG1 3.97Å; I212-V260 HydrophobicContact CG1-CG1 4.3Å; T213-V260 WeakPolarHBondContact O-CA 3.47Å; L214-V260 HydrophobicContact CD1-CG1 4.09Å; L214-V260 HydrophobicContact CG-CG2 4.33Å; V260-L265 HydrophobicContact CG1-CD1 4.26Å; V260-P268 WeakPolarHBondContact O-CA 3.22Å; V260-L269 HydrophobicContact CB-CB 4.35Å; V260-L269 PolarHBondContact N-O 3.06Å; V260-L269 PolarHBondContact O-N 3.34Å; V260-L271 HydrophobicContact CG2-CD1 3.97Å
261Q98.2Very high96.4Very high103 Ų10358 Ų5848%0.48132%0.315SS..EExtended strand (participates in β ladder)trans-116.5130.6173.7-56.4179.41800109.4I212 T213 P268I212-Q261 VanDerWaalsContact CG1-O 3.3Å; I212-Q261 WeakPolarHBondContact CG1-O 3.39Å; T213-Q261 PolarHBondContact N-O 3.27Å; T213-Q261 PolarHBondContact O-N 3.39Å; Q261-P268 HydrophobicContact CG-CB 4.02Å; Q261-P268 HydrophobicContact CG-CG 4.11Å
262H97.8Very high96.6Very high16 Ų1661.6 Ų61.67%0.07431%0.308CS..  trans-154.7143.8-178.7-174.7-99.1000108.7E182 P184 F207 Y208 P209 E211 I212 G264 L265E182-H262 PolarHBondContact O-CE1 2.9Å; E182-H262 VanDerWaalsContact O-CE1 3.23Å; P184-H262 HydrophobicContact CG-CB 4.16Å; F207-H262 AromaticContact CD2-CD2 3.83Å; F207-H262 AromaticContact CD2-NE2 3.69Å; Y208-H262 PolarHBondContact O-CE1 3.41Å; P209-H262 PolarHBondContact O-NE2 2.79Å; E211-H262 PolarHBondContact O-CD2 2.88Å; I212-H262 HydrophobicContact CD1-CB 4.32Å; I212-H262 HydrophobicContact CG1-CB 4.08Å; H262-G264 PolarHBondContact ND1-N 3.37Å; H262-G264 PolarHBondContact O-N 3.15Å; H262-L265 HydrophobicContact CB-CD1 3.99Å; H262-L265 HydrophobicContact CB-CG 4.21Å; H262-L265 WeakPolarHBondContact O-CB 3.46Å; H262-L265 PolarHBondContact O-N 2.96Å
263E94.9Very high96.6Very high149 Ų14961.2 Ų61.270%0.69630%0.304SS*.THydrogen-bonded Turntrans-59-29.5-179.1178.1173.1171.400113.1L265E263-L265 VanDerWaalsContact C-N 3.3Å; E263-L265 PolarHBondContact O-N 2.96Å
264G93.4Very high96.4Very high13 Ų1368.3 Ų68.313%0.13434%0.337CS..THydrogen-bonded Turntrans-59.9-43.6172.900000111H183 H262H183-G264 PolarHBondContact CE1-O 3.31Å; H183-G264 PolarHBondContact ND1-O 3.43Å; H262-G264 PolarHBondContact ND1-N 3.37Å; H262-G264 PolarHBondContact O-N 3.15Å
265L96.3Very high95.7Very high24 Ų2467.9 Ų67.913%0.12634%0.342CS..  trans-70.9129.2-172.2-65167.6000112.4H183 P184 V260 H262 E263 E267 L269H183-L265 HydrophobicContact CB-CD2 4.14Å; H183-L265 WeakPolarHBondContact ND1-CA 3.49Å; H183-L265 PolarHBondContact ND1-N 3.3Å; P184-L265 HydrophobicContact CG-CD1 3.85Å; P184-L265 HydrophobicContact CG-CG 4.25Å; V260-L265 HydrophobicContact CG1-CD1 4.26Å; H262-L265 HydrophobicContact CB-CD1 3.99Å; H262-L265 HydrophobicContact CB-CG 4.21Å; H262-L265 WeakPolarHBondContact O-CB 3.46Å; H262-L265 PolarHBondContact O-N 2.96Å; E263-L265 VanDerWaalsContact C-N 3.3Å; E263-L265 PolarHBondContact O-N 2.96Å; L265-E267 VanDerWaalsContact C-N 3.26Å; L265-E267 WeakPolarHBondContact CB-O 3.37Å; L265-E267 PolarHBondContact O-N 2.73Å; L265-L269 HydrophobicContact CD1-CD1 3.94Å; L265-L269 HydrophobicContact CD1-CG 3.85Å; L265-L269 HydrophobicContact CD2-CD1 3.66Å; L265-L269 HydrophobicContact CD2-CD2 4.41Å; L265-L269 HydrophobicContact CD2-CG 3.87Å; L265-L269 HydrophobicContact CG-CD1 4.48Å; L265-L269 HydrophobicContact CG-CG 4.48Å
266P94.6Very high94.2Very high120 Ų12068 Ų6878%0.77936%0.358SS*.SBendtrans-67-32176.228.1-34.5000111.9
267E95.8Very high92Very high150 Ų15073.1 Ų73.170%0.70140%0.395SS*.SBendtrans-137.9148.4174.4-66.8-176.8178.300109.4L265L265-E267 VanDerWaalsContact C-N 3.26Å; L265-E267 WeakPolarHBondContact CB-O 3.37Å; L265-E267 PolarHBondContact O-N 2.73Å
268P96.6Very high89.5Confident80 Ų8080.2 Ų80.252%0.51943%0.427SS..  trans-53.8139.8173.4-26.535.8000112.3V260 Q261V260-P268 WeakPolarHBondContact O-CA 3.22Å; Q261-P268 HydrophobicContact CG-CB 4.02Å; Q261-P268 HydrophobicContact CG-CG 4.11Å
269L97.3Very high87Confident60 Ų6085.2 Ų85.231%0.31446%0.46SS..EExtended strand (participates in β ladder)trans-90.5136.3174.6-64.1177.5000110.3T186 H259 V260 L265T186-L269 HydrophobicContact CG2-CD1 4.42Å; H259-L269 CarbonylContact C-O 3.52Å; H259-L269 VanDerWaalsContact CA-O 3.29Å; H259-L269 WeakPolarHBondContact CA-O 3.26Å; V260-L269 HydrophobicContact CB-CB 4.35Å; V260-L269 PolarHBondContact N-O 3.06Å; V260-L269 PolarHBondContact O-N 3.34Å; L265-L269 HydrophobicContact CD1-CD1 3.94Å; L265-L269 HydrophobicContact CD1-CG 3.85Å; L265-L269 HydrophobicContact CD2-CD1 3.66Å; L265-L269 HydrophobicContact CD2-CD2 4.41Å; L265-L269 HydrophobicContact CD2-CG 3.87Å; L265-L269 HydrophobicContact CG-CD1 4.48Å; L265-L269 HydrophobicContact CG-CG 4.48Å
270T97.8Very high84.8Confident83 Ų8390 Ų9051%0.50949%0.491SS..EExtended strand (participates in β ladder)trans-114.2120.6169-54.80000109.1T257 C258 H259T257-T270 HydrophobicContact CG2-CG2 3.92Å; C258-T270 CarbonylContact O-C 3.59Å; C258-T270 WeakPolarHBondContact O-CA 3.18Å; H259-T270 PolarHBondContact CE1-OG1 3.41Å; H259-T270 PolarHBondContact ND1-OG1 2.92Å; H259-T270 VanDerWaalsContact ND1-OG1 3.1Å
271L97.1Very high82.8Confident37 Ų3795 Ų9519%0.19452%0.517CS..EExtended strand (participates in β ladder)trans-115.5142.8-175.5-61.5153.9000110T186 V188 T257 C258 V260T186-L271 VanDerWaalsContact CB-CD1 3.44Å; T186-L271 HydrophobicContact CG2-CD1 4.16Å; T186-L271 WeakPolarHBondContact OG1-CD1 3.39Å; V188-L271 HydrophobicContact CG2-CB 3.92Å; T257-L271 CarbonylContact C-O 3.51Å; T257-L271 WeakPolarHBondContact CA-O 3.23Å; C258-L271 HydrophobicContact CB-CB 4.31Å; C258-L271 PolarHBondContact N-O 3.15Å; C258-L271 PolarHBondContact O-N 2.88Å; V260-L271 HydrophobicContact CG2-CD1 3.97Å
272R96.1Very high80.7Confident144 Ų14494.3 Ų94.354%0.54352%0.522SS..  trans-118.1160.8166.7-70.4-175.7177.4164.20109.4T257 E274T257-R272 HydrophobicContact CG2-CG 3.64Å; T257-R272 VanDerWaalsContact CG2-NE 3.29Å; R272-E274 PolarHBondContact O-N 3.25Å
273W95.9Very high78.9Confident45 Ų4599.4 Ų99.417%0.1755%0.548CS..PPolyproline II helixtrans-69.6122.9167.9170.358.1000110V188 H190 L200 E253 Q254 P275V188-W273 HydrophobicContact CB-CB 4.45Å; V188-W273 HydrophobicContact CG1-CB 3.84Å; H190-W273 HydrophobicContact CB-CD2 4.1Å; H190-W273 HydrophobicContact CB-CG 4.15Å; H190-W273 HydrophobicContact CB-CZ2 4.02Å; H190-W273 VanDerWaalsContact CB-NE1 3.26Å; H190-W273 AromaticContact CG-CE2 3.78Å; H190-W273 AromaticContact CG-CZ2 3.8Å; H190-W273 AromaticContact ND1-CZ2 3.97Å; L200-W273 HydrophobicContact CD1-CB 4.44Å; L200-W273 HydrophobicContact CD2-CB 3.85Å; L200-W273 HydrophobicContact CD2-CD2 4.39Å; L200-W273 HydrophobicContact CD2-CG 3.98Å; E253-W273 HydrophobicContact CB-CD2 4.44Å; E253-W273 HydrophobicContact CB-CE3 3.41Å; E253-W273 VanDerWaalsContact CB-CE3 3.41Å; E253-W273 HydrophobicContact CB-CZ3 3.8Å; E253-W273 HydrophobicContact CG-CE3 3.73Å; E253-W273 HydrophobicContact CG-CZ3 3.75Å; Q254-W273 PolarHBondContact NE2-O 3.34Å; W273-P275 HydrophobicContact CE3-CG 4.44Å; W273-P275 HydrophobicContact CH2-CB 4.31Å; W273-P275 HydrophobicContact CH2-CG 3.92Å; W273-P275 HydrophobicContact CZ2-CB 4.08Å; W273-P275 HydrophobicContact CZ2-CG 4.04Å; W273-P275 HydrophobicContact CZ3-CG 4.12Å
274E89.3Confident77.3Confident168 Ų16898.1 Ų98.179%0.78555%0.55SS**PPolyproline II helixtrans-101.9120.5170.2-70.3-175.3173.500109.3R272 S276R272-E274 PolarHBondContact O-N 3.25Å; E274-S276 PolarHBondContact O-N 3.05Å
275P81.1Confident75.9Confident80 Ų8099.7 Ų99.752%0.51957%0.567SS.*PPolyproline II helixtrans-58.8128.4171.8-20.230.8000109.2W273 S277W273-P275 HydrophobicContact CE3-CG 4.44Å; W273-P275 HydrophobicContact CH2-CB 4.31Å; W273-P275 HydrophobicContact CH2-CG 3.92Å; W273-P275 HydrophobicContact CZ2-CB 4.08Å; W273-P275 HydrophobicContact CZ2-CG 4.04Å; W273-P275 HydrophobicContact CZ3-CG 4.12Å; P275-S277 PolarHBondContact O-N 2.91Å
276S65.3Low74.6Confident102 Ų102103.3 Ų103.371%0.71359%0.585SS**  trans-58.7114.9-17887.90000109.5E274 Q278E274-S276 PolarHBondContact O-N 3.05Å; S276-Q278 PolarHBondContact O-N 3.37Å
277S50.9Low73.5Confident115 Ų115101.9 Ų101.980%0.80457%0.574SS**  trans-78.766.8168.346.20000108.4P275 P279P275-S277 PolarHBondContact O-N 2.91Å; S277-P279 WeakPolarHBondContact O-CD 3.4Å; S277-P279 VanDerWaalsContact O-N 3.16Å
278Q47.3Very low72.4Confident161 Ų16197.1 Ų97.175%0.75256%0.56SS**  trans-63.8115.1158-81.3-169.4-19.700105.9S276 T280S276-Q278 PolarHBondContact O-N 3.37Å; Q278-T280 PolarHBondContact O-N 2.89Å
279P44.1Very low71.4Confident106 Ų10695 Ų9569%0.68855%0.552SS**  trans-61.2114.3167.825.3-29.4000105.3S277 I281S277-P279 WeakPolarHBondContact O-CD 3.4Å; S277-P279 VanDerWaalsContact O-N 3.16Å; P279-I281 PolarHBondContact O-N 3.29Å
280T52.4Low70.7Confident133 Ų13397.3 Ų97.382%0.81657%0.565SS**  trans-6286.2163-37.80000105.1Q278 P282Q278-T280 PolarHBondContact O-N 2.89Å; T280-P282 VanDerWaalsContact O-CD 3.28Å; T280-P282 WeakPolarHBondContact O-CD 3.35Å
281I55.8Low69.9Low106 Ų10696 Ų9654%0.54456%0.562SS.*  trans-51118.8168.3-63.5175.1000103.4P279 I283 I286P279-I281 PolarHBondContact O-N 3.29Å; I281-I283 PolarHBondContact O-N 3.21Å; I281-I286 HydrophobicContact CG2-CD1 4.11Å
282P55.5Low69.2Low88 Ų8898.3 Ų98.357%0.57158%0.578SS**  trans-7480.4-175.929.5-32.5000107T280 V284 G285 I286T280-P282 VanDerWaalsContact O-CD 3.28Å; T280-P282 WeakPolarHBondContact O-CD 3.35Å; P282-V284 PolarHBondContact O-N 3.06Å; P282-V284 VanDerWaalsContact O-N 3.12Å; P282-G285 WeakPolarHBondContact O-CA 3.44Å; P282-G285 PolarHBondContact O-N 3.01Å; P282-I286 PolarHBondContact O-N 3.41Å
283I60.3Low68.5Low124 Ų12496.8 Ų96.864%0.63658%0.58SS**Hα-helixtrans-53.7-33.8176.4-66.2167.6000108.7I281 G285 I286 V287I281-I283 PolarHBondContact O-N 3.21Å; I283-G285 PolarHBondContact O-N 3.19Å; I283-I286 PolarHBondContact O-N 3.07Å; I283-V287 HydrophobicContact CG2-CG2 4.25Å; I283-V287 WeakPolarHBondContact O-CB 3.35Å; I283-V287 VanDerWaalsContact O-CG2 3.23Å; I283-V287 WeakPolarHBondContact O-CG2 3.47Å; I283-V287 PolarHBondContact O-N 2.98Å
284V60.4Low67.9Low122 Ų12297.3 Ų97.374%0.73959%0.593SS**Hα-helixtrans-61.4-40.4174.1-177.80000112.7P282 A288P282-V284 PolarHBondContact O-N 3.06Å; P282-V284 VanDerWaalsContact O-N 3.12Å; V284-A288 VanDerWaalsContact O-CB 3.27Å; V284-A288 WeakPolarHBondContact O-CB 3.35Å; V284-A288 PolarHBondContact O-N 3.32Å
285G63.2Low67.6Low46 Ų4693.5 Ų93.547%0.47458%0.581SS.*Hα-helixtrans-69.6-37.7179.700000112.8P282 I283 G289P282-G285 WeakPolarHBondContact O-CA 3.44Å; P282-G285 PolarHBondContact O-N 3.01Å; I283-G285 PolarHBondContact O-N 3.19Å; G285-G289 PolarHBondContact O-N 3.38Å
286I70.3Confident67.8Low99 Ų9994.7 Ų94.751%0.50858%0.583SS.*Hα-helixtrans-70.7-43.7176.9-61.4174.4000110.5I281 P282 I283 G289 L290I281-I286 HydrophobicContact CG2-CD1 4.11Å; P282-I286 PolarHBondContact O-N 3.41Å; I283-I286 PolarHBondContact O-N 3.07Å; I286-G289 PolarHBondContact O-N 3.37Å; I286-L290 HydrophobicContact CG2-CD1 3.99Å; I286-L290 HydrophobicContact CG2-CG 4.47Å; I286-L290 WeakPolarHBondContact O-CB 3.4Å; I286-L290 WeakPolarHBondContact O-CG 3.33Å; I286-L290 PolarHBondContact O-N 3.39Å
287V71.3Confident68.5Low90 Ų9092.9 Ų92.955%0.54557%0.574SS.*Hα-helixtrans-65.2-42.7177.9173.40000111.3I283 L290 A291I283-V287 HydrophobicContact CG2-CG2 4.25Å; I283-V287 WeakPolarHBondContact O-CB 3.35Å; I283-V287 VanDerWaalsContact O-CG2 3.23Å; I283-V287 WeakPolarHBondContact O-CG2 3.47Å; I283-V287 PolarHBondContact O-N 2.98Å; V287-L290 PolarHBondContact O-N 3.44Å; V287-A291 WeakPolarHBondContact O-CB 3.31Å; V287-A291 PolarHBondContact O-N 3.12Å
288A71.9Confident70Confident51 Ų5191.9 Ų91.942%0.42156%0.563SS.*Hα-helixtrans-62.7-44.8174.600000111.7V284 L290 A291 V292V284-A288 VanDerWaalsContact O-CB 3.27Å; V284-A288 WeakPolarHBondContact O-CB 3.35Å; V284-A288 PolarHBondContact O-N 3.32Å; A288-L290 PolarHBondContact O-N 2.88Å; A288-A291 PolarHBondContact O-N 2.94Å; A288-V292 WeakPolarHBondContact O-CG2 3.33Å; A288-V292 PolarHBondContact O-N 3.22Å
289G77.1Confident71.6Confident34 Ų3488.9 Ų88.935%0.35155%0.552SS.*Hα-helixtrans-60.8-43.4177.500000113.3G285 I286 V292 L293G285-G289 PolarHBondContact O-N 3.38Å; I286-G289 PolarHBondContact O-N 3.37Å; G289-V292 PolarHBondContact O-N 3.1Å; G289-L293 PolarHBondContact O-N 3.49Å
290L82.6Confident73.3Confident110 Ų11085.8 Ų85.858%0.57654%0.539SS*.Hα-helixtrans-67.2-37.7176.7-72.4172.2000112.5I286 V287 A288 L293 A294I286-L290 HydrophobicContact CG2-CD1 3.99Å; I286-L290 HydrophobicContact CG2-CG 4.47Å; I286-L290 WeakPolarHBondContact O-CB 3.4Å; I286-L290 WeakPolarHBondContact O-CG 3.33Å; I286-L290 PolarHBondContact O-N 3.39Å; V287-L290 PolarHBondContact O-N 3.44Å; A288-L290 PolarHBondContact O-N 2.88Å; L290-L293 PolarHBondContact O-N 2.86Å; L290-A294 WeakPolarHBondContact O-CB 3.34Å; L290-A294 PolarHBondContact O-N 3.26Å
291A79.5Confident74.5Confident54 Ų5482.1 Ų82.145%0.44652%0.522SS..Hα-helixtrans-63.8-42.9175.300000111.7V287 A288 A294 V295V287-A291 WeakPolarHBondContact O-CB 3.31Å; V287-A291 PolarHBondContact O-N 3.12Å; A288-A291 PolarHBondContact O-N 2.94Å; A291-A294 PolarHBondContact O-N 3.04Å; A291-V295 VanDerWaalsContact O-CG2 3.31Å; A291-V295 WeakPolarHBondContact O-CG2 3.18Å; A291-V295 PolarHBondContact O-N 3.2Å
292V82.8Confident75.6Confident87 Ų8780.9 Ų80.953%0.52752%0.519SS..Hα-helixtrans-63.4-44.2175.8176.10000111.2A288 G289 A294 V295 L296A288-V292 WeakPolarHBondContact O-CG2 3.33Å; A288-V292 PolarHBondContact O-N 3.22Å; G289-V292 PolarHBondContact O-N 3.1Å; V292-A294 VanDerWaalsContact C-N 3.35Å; V292-A294 PolarHBondContact O-N 3.05Å; V292-V295 PolarHBondContact O-N 3.34Å; V292-L296 HydrophobicContact CG1-CD1 3.98Å; V292-L296 HydrophobicContact CG1-CG 4.36Å; V292-L296 WeakPolarHBondContact O-CG 3.47Å; V292-L296 PolarHBondContact O-N 2.87Å
293L82.4Confident76.5Confident112 Ų11282.5 Ų82.559%0.58652%0.521SS*.Hα-helixtrans-62-41177.2-80.1167.1000112.5G289 L290 L296 A297G289-L293 PolarHBondContact O-N 3.49Å; L290-L293 PolarHBondContact O-N 2.86Å; L293-L296 PolarHBondContact O-N 3.22Å; L293-A297 WeakPolarHBondContact O-CB 3.32Å; L293-A297 PolarHBondContact O-N 2.84Å
294A82.9Confident77.1Confident55 Ų5579.1 Ų79.146%0.45551%0.511SS..Hα-helixtrans-63.1-43.4175.800000111.8L290 A291 V292 A297 V298L290-A294 WeakPolarHBondContact O-CB 3.34Å; L290-A294 PolarHBondContact O-N 3.26Å; A291-A294 PolarHBondContact O-N 3.04Å; V292-A294 VanDerWaalsContact C-N 3.35Å; V292-A294 PolarHBondContact O-N 3.05Å; A294-A297 PolarHBondContact O-N 3.32Å; A294-V298 WeakPolarHBondContact O-CG2 3.49Å; A294-V298 PolarHBondContact O-N 3.45Å
295V83.5Confident77.6Confident88 Ų8877.1 Ų77.153%0.53350%0.499SS..Hα-helixtrans-62.7-44176.4171.90000111.2A291 V292 A297 V298 L299A291-V295 VanDerWaalsContact O-CG2 3.31Å; A291-V295 WeakPolarHBondContact O-CG2 3.18Å; A291-V295 PolarHBondContact O-N 3.2Å; V292-V295 PolarHBondContact O-N 3.34Å; V295-A297 PolarHBondContact O-N 3.47Å; V295-V298 PolarHBondContact O-N 3.09Å; V295-L299 HydrophobicContact CG1-CD1 3.95Å; V295-L299 WeakPolarHBondContact O-CG 3.17Å; V295-L299 PolarHBondContact O-N 2.71Å
296L83.6Confident78.1Confident105 Ų10578.5 Ų78.555%0.5550%0.498SS..Hα-helixtrans-64.5-39.1177.5-71.3173.6000112.3V292 L293 L299 G300V292-L296 HydrophobicContact CG1-CD1 3.98Å; V292-L296 HydrophobicContact CG1-CG 4.36Å; V292-L296 WeakPolarHBondContact O-CG 3.47Å; V292-L296 PolarHBondContact O-N 2.87Å; L293-L296 PolarHBondContact O-N 3.22Å; L296-L299 PolarHBondContact O-N 3.06Å; L296-G300 PolarHBondContact O-N 3.03Å
297A81.6Confident78.1Confident65 Ų6580.1 Ų80.154%0.53751%0.505SS..Hα-helixtrans-64.1-42.1175.900000111.9L293 A294 V295 G300 A301L293-A297 WeakPolarHBondContact O-CB 3.32Å; L293-A297 PolarHBondContact O-N 2.84Å; A294-A297 PolarHBondContact O-N 3.32Å; V295-A297 PolarHBondContact O-N 3.47Å; A297-G300 PolarHBondContact O-N 3.34Å; A297-A301 WeakPolarHBondContact O-CB 3.35Å; A297-A301 PolarHBondContact O-N 3.24Å
298V81.6Confident77.6Confident94 Ų9480 Ų8057%0.5751%0.507SS*.Hα-helixtrans-64.2-45.2175.71730000110.9A294 V295 G300 A301 V302A294-V298 WeakPolarHBondContact O-CG2 3.49Å; A294-V298 PolarHBondContact O-N 3.45Å; V295-V298 PolarHBondContact O-N 3.09Å; V298-G300 VanDerWaalsContact C-N 3.34Å; V298-G300 PolarHBondContact O-N 2.84Å; V298-A301 PolarHBondContact O-N 3.1Å; V298-V302 HydrophobicContact CG1-CG2 4.42Å; V298-V302 VanDerWaalsContact O-CG2 3.28Å; V298-V302 WeakPolarHBondContact O-CG2 3.33Å; V298-V302 PolarHBondContact O-N 3.49Å
299L80.3Confident77.1Confident98 Ų9886.6 Ų86.651%0.51352%0.521SS..Hα-helixtrans-61.9-42.1176.2-73168.8000111.8V295 L296 V302 M303V295-L299 HydrophobicContact CG1-CD1 3.95Å; V295-L299 WeakPolarHBondContact O-CG 3.17Å; V295-L299 PolarHBondContact O-N 2.71Å; L296-L299 PolarHBondContact O-N 3.06Å; L299-V302 PolarHBondContact O-N 2.99Å; L299-M303 WeakPolarHBondContact O-CB 3.34Å; L299-M303 VanDerWaalsContact O-CG 3.31Å; L299-M303 WeakPolarHBondContact O-CG 3.33Å; L299-M303 PolarHBondContact O-N 3.12Å
300G80.2Confident76.1Confident41 Ų4195 Ų9542%0.42354%0.542SS..Hα-helixtrans-60.7-44.5174.600000112.6L296 A297 V298 M303 A304L296-G300 PolarHBondContact O-N 3.03Å; A297-G300 PolarHBondContact O-N 3.34Å; V298-G300 VanDerWaalsContact C-N 3.34Å; V298-G300 PolarHBondContact O-N 2.84Å; G300-M303 PolarHBondContact O-N 2.77Å; G300-A304 WeakPolarHBondContact O-CB 3.46Å; G300-A304 PolarHBondContact O-N 3.05Å
301A78.3Confident74.5Confident55 Ų5598.8 Ų98.846%0.45555%0.554SS.*Hα-helixtrans-64.4-42.2176.600000112.3A297 V298 A304 V305A297-A301 WeakPolarHBondContact O-CB 3.35Å; A297-A301 PolarHBondContact O-N 3.24Å; V298-A301 PolarHBondContact O-N 3.1Å; A301-A304 PolarHBondContact O-N 2.99Å; A301-V305 WeakPolarHBondContact O-CG2 3.36Å; A301-V305 PolarHBondContact O-N 3.38Å
302V78.2Confident73.2Confident81 Ų81100.7 Ų100.749%0.49156%0.564SS.*Hα-helixtrans-62.7-45.3176.2171.50000110.7V298 L299 A304 V305 V306V298-V302 HydrophobicContact CG1-CG2 4.42Å; V298-V302 VanDerWaalsContact O-CG2 3.28Å; V298-V302 WeakPolarHBondContact O-CG2 3.33Å; V298-V302 PolarHBondContact O-N 3.49Å; L299-V302 PolarHBondContact O-N 2.99Å; V302-A304 PolarHBondContact O-N 3.19Å; V302-V305 PolarHBondContact O-N 3.26Å; V302-V306 HydrophobicContact CG1-CG2 4.39Å; V302-V306 WeakPolarHBondContact O-CB 3.43Å; V302-V306 VanDerWaalsContact O-CG2 3.29Å; V302-V306 WeakPolarHBondContact O-CG2 3.45Å; V302-V306 PolarHBondContact O-N 3.31Å
303M73.7Confident71.5Confident122 Ų122101.5 Ų101.560%0.60157%0.574SS**Hα-helixtrans-62.6-41176.8-72.7-65.3-72.700112.1L299 G300 V306 M307L299-M303 WeakPolarHBondContact O-CB 3.34Å; L299-M303 VanDerWaalsContact O-CG 3.31Å; L299-M303 WeakPolarHBondContact O-CG 3.33Å; L299-M303 PolarHBondContact O-N 3.12Å; G300-M303 PolarHBondContact O-N 2.77Å; M303-V306 PolarHBondContact O-N 3.07Å; M303-M307 WeakPolarHBondContact O-CB 3.45Å; M303-M307 WeakPolarHBondContact O-CG 3.45Å; M303-M307 PolarHBondContact O-N 3.08Å
304A72.8Confident69.4Low53 Ų5399.4 Ų99.444%0.43858%0.579SS.*Hα-helixtrans-62.8-43.4174.900000112.2G300 A301 V302 M307 C308G300-A304 WeakPolarHBondContact O-CB 3.46Å; G300-A304 PolarHBondContact O-N 3.05Å; A301-A304 PolarHBondContact O-N 2.99Å; V302-A304 PolarHBondContact O-N 3.19Å; A304-M307 PolarHBondContact O-N 3.08Å; A304-C308 WeakPolarHBondContact O-CB 3.45Å; A304-C308 PolarHBondContact O-N 3.4Å; A304-C308 PolarHBondContact O-SG 2.75Å
305V72.9Confident67.2Low80 Ų80101 Ų10149%0.48560%0.601SS.*Hα-helixtrans-64.5-41.9176.2172.20000111.4A301 V302 C308 R309A301-V305 WeakPolarHBondContact O-CG2 3.36Å; A301-V305 PolarHBondContact O-N 3.38Å; V302-V305 PolarHBondContact O-N 3.26Å; V305-C308 PolarHBondContact O-N 2.79Å; V305-R309 WeakPolarHBondContact O-CB 3.3Å; V305-R309 WeakPolarHBondContact O-CG 3.21Å; V305-R309 PolarHBondContact O-N 3.21Å
306V72.4Confident64.8Low75 Ų75107.2 Ų107.246%0.45562%0.621SS.*Hα-helixtrans-65.4-40.8177.5171.10000111.2V302 M303 R309 R310V302-V306 HydrophobicContact CG1-CG2 4.39Å; V302-V306 WeakPolarHBondContact O-CB 3.43Å; V302-V306 VanDerWaalsContact O-CG2 3.29Å; V302-V306 WeakPolarHBondContact O-CG2 3.45Å; V302-V306 PolarHBondContact O-N 3.31Å; M303-V306 PolarHBondContact O-N 3.07Å; V306-R309 PolarHBondContact O-N 3.21Å; V306-R310 WeakPolarHBondContact O-CB 3.48Å; V306-R310 PolarHBondContact O-N 3.26Å
307M70.4Confident62.4Low132 Ų132106.2 Ų106.265%0.6564%0.636SS**Hα-helixtrans-66.2-41174.6-74.1-172.572.100112.4M303 A304 R309 R310 K311M303-M307 WeakPolarHBondContact O-CB 3.45Å; M303-M307 WeakPolarHBondContact O-CG 3.45Å; M303-M307 PolarHBondContact O-N 3.08Å; A304-M307 PolarHBondContact O-N 3.08Å; M307-R309 VanDerWaalsContact C-N 3.32Å; M307-R309 PolarHBondContact O-N 2.77Å; M307-R310 PolarHBondContact O-N 3.41Å; M307-K311 WeakPolarHBondContact O-CB 3.48Å; M307-K311 PolarHBondContact O-N 3.27Å
308C61.4Low60Low87 Ų87106.9 Ų106.959%0.58865%0.649SS**Hα-helixtrans-63.9-35.6173.8-79.70000112.5A304 V305 K311 S312A304-C308 WeakPolarHBondContact O-CB 3.45Å; A304-C308 PolarHBondContact O-N 3.4Å; A304-C308 PolarHBondContact O-SG 2.75Å; V305-C308 PolarHBondContact O-N 2.79Å; C308-K311 PolarHBondContact O-N 3.5Å; C308-S312 PolarHBondContact O-N 2.95Å; C308-S312 PolarHBondContact O-OG 3.46Å
309R60.5Low57.6Low190 Ų190107.9 Ų107.972%0.71766%0.661SS**Hα-helixtrans-73.3-33.2174.1-75.8-173.5129.1151-0.1113.2V305 V306 M307 K311 S312V305-R309 WeakPolarHBondContact O-CB 3.3Å; V305-R309 WeakPolarHBondContact O-CG 3.21Å; V305-R309 PolarHBondContact O-N 3.21Å; V306-R309 PolarHBondContact O-N 3.21Å; M307-R309 VanDerWaalsContact C-N 3.32Å; M307-R309 PolarHBondContact O-N 2.77Å; R309-K311 VanDerWaalsContact C-N 3.33Å; R309-S312 PolarHBondContact O-OG 3.07Å
310R56.5Low55.2Low210 Ų210108.9 Ų108.979%0.79267%0.674SS**Hα-helixtrans-69.3-29.6171.8-108.7-179169.8173.6-2.6112.9V306 M307V306-R310 WeakPolarHBondContact O-CB 3.48Å; V306-R310 PolarHBondContact O-N 3.26Å; M307-R310 PolarHBondContact O-N 3.41Å
311K49.6Very low52.9Low190 Ų190112.5 Ų112.583%0.82669%0.693SS**Hα-helixtrans-85.7-10.4-179.2-162.6166.8179.7177.90114M307 C308 R309M307-K311 WeakPolarHBondContact O-CB 3.48Å; M307-K311 PolarHBondContact O-N 3.27Å; C308-K311 PolarHBondContact O-N 3.5Å; R309-K311 VanDerWaalsContact C-N 3.33Å
312S50.8Low50.7Low94 Ų94118.6 Ų118.666%0.65771%0.712SS**SBendtrans-101.74.3-179.6410000114.7C308 R309C308-S312 PolarHBondContact O-N 2.95Å; C308-S312 PolarHBondContact O-OG 3.46Å; R309-S312 PolarHBondContact O-OG 3.07Å
313S48Very low48.6Very low104 Ų104119.4 Ų119.473%0.72773%0.727SS**SBendtrans-106.248.5174.170.10000113.1
314G38.7Very low46.6Very low68 Ų68118.1 Ų118.170%0.70174%0.736SS**SBendtrans-178.3110172.100000114.7
315G35.5Very low44.7Very low88 Ų88121 Ų12191%0.90775%0.753SS**  trans114.3120.6148.200000117.3
316K34.1Very low42.8Very low219 Ų219122.7 Ų122.795%0.95277%0.768SS**  trans-104.9151.7-176.2-174.6167.5178.1172.50110.2
317G32Very low41.1Very low84 Ų84126.6 Ų126.687%0.86679%0.787SS**  trans105.8140.4168.700000113.2
318G31.3Very low39.5Very low80 Ų80125.8 Ų125.883%0.82579%0.794SS**  cis166.1131.66.900000107.9
319S32.4Very low38.4Very low115 Ų115125.8 Ų125.880%0.80480%0.8SS**  trans18.1134.5159.8-1510000125.1
320C29.6Very low37.2Very low118 Ų118126.1 Ų126.180%0.79781%0.81SS**  trans57.1126.9136.8-82.50000125.1
321S32.1Very low36Very low118 Ų118119.8 Ų119.883%0.82581%0.81SS**  148.4149.2125.148.30000109
322Q32.3Very low35.4Very low183 Ų183115.9 Ų115.986%0.85581%0.807SS**  cis-166.8144-13.7-179.8170.93.400106.6
323A32.8Very low34.7Very low97 Ų97118.3 Ų118.380%0.80281%0.813SS**  trans8.7133.5163.900000123
324A32.5Very low33.9Very low96 Ų96121.5 Ų121.579%0.79382%0.816SS**  -157.6133.2127.300000111.7
325S32.3Very low33.8Very low113 Ų113122.8 Ų122.879%0.7981%0.814SS**  trans-23.7150.9160.252.60000116.5
326S34.3Very low33.6Very low115 Ų115125.9 Ų125.980%0.80481%0.809SS**  cis-166.3147.321.736.20000109.9
327N35.4Very low33.5Very low157 Ų157122.6 Ų122.684%0.8480%0.8SS**  trans-83.4153.1172.3-83.9-28.2000113.2
328S38.2Very low33.6Very low116 Ų116122.7 Ų122.781%0.81179%0.793SS**  trans-149.5103.3132.8-36.60000104.8
329A37.4Very low33.5Very low86 Ų86124.8 Ų124.871%0.71179%0.794SS**  42.1127.785.300000112.1
330Q35.8Very low33.4Very low197 Ų197129.2 Ų129.292%0.92180%0.799SS**  cis-173149.342.4-150.4162.3-1.600109.8
331G30.3Very low33.8Very low77 Ų77131.8 Ų131.879%0.79483%0.828SS**  trans153.981.7163.100000114.3
332S37.2Very low33.8Very low109 Ų109132.5 Ų132.576%0.76283%0.828SS**  trans-82.8141.4-176.1-36.10000113.6
333D35.6Very low33.9Very low145 Ų145129.8 Ų129.878%0.77583%0.827SS**  trans43132.4132.5-72.2-24.9000124.7
334E32.7Very low34Very low171 Ų171131.6 Ų131.680%0.79983%0.828SS**  trans70.3109.1133.8-72.9-165.4138.800122.2
335S35.4Very low34.1Very low95 Ų95133.7 Ų133.766%0.66483%0.83SS**  trans13.1128.5136.360.80000120.6
336L31.9Very low34.2Very low153 Ų153135 Ų13580%0.80183%0.832SS**  177.1118.8117.5-94.5160.7000112.8
337I32.8Very low34.2Very low149 Ų149136.3 Ų136.376%0.76483%0.834SS**  43.3114.1128.9-62-178.3000121.9
338A33.6Very low34.1Very low86 Ų86134.9 Ų134.971%0.71183%0.834SS**  75.8143.712500000126.2
339C29.1Very low33.8Very low125 Ų125136.3 Ų136.385%0.84584%0.836SS**  trans76.4121.1149.2-78.80000121.7
340K30.8Very low33.5Very low208 Ų208140.5 Ų140.590%0.90485%0.846SS**  trans136.8140.8130.6-88-179.7172.9175.80110.2
341A36.6Very low33.3Very low171 Ų171135.4 Ų135.4100%1.41384%0.839SS**  cis-144.606.200000109.1

Retrieved 341 of 341 residues in 1377.7 ms (Link to these results)

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