A0A090MF36_HUMAN Loading...

HLA class I antigen

AlphaFold DB , UniProt , Accession A0A090MF36, Species HUMAN (Homo sapiens, Human), Gene HLA-A, Length 340 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
1S90Very high97.4Very high116 Ų11637.7 Ų37.781%0.81121%0.209SC*.  0174.3034.20000107.9V102S1-V102 VanDerWaalsContact CB-O 3.28Å; S1-V102 WeakPolarHBondContact CB-O 3.47Å
2Q94.5Very high97.4Very high45 Ų4536.1 Ų36.121%0.2120%0.202CC..EExtended strand (participates in β ladder)trans-136156.5178-52.3-83.4-106.700109.9D28 D101 V102 L171Q2-D28 WeakPolarHBondContact CA-OD1 3.28Å; Q2-D28 VanDerWaalsContact CD-OD2 3.31Å; Q2-D28 PolarHBondContact NE2-OD2 2.97Å; Q2-D101 CarbonylContact O-C 3.57Å; Q2-D101 WeakPolarHBondContact O-CA 3.48Å; Q2-V102 HydrophobicContact CB-CG2 3.94Å; Q2-V102 PolarHBondContact N-O 3.11Å; Q2-V102 VanDerWaalsContact N-O 3.1Å; Q2-V102 PolarHBondContact O-N 3.4Å; Q2-L171 HydrophobicContact CB-CD1 3.58Å; Q2-L171 HydrophobicContact CG-CD1 3.79Å
3S97.3Very high97.3Very high17 Ų1738.8 Ų38.812%0.11921%0.207CC..EExtended strand (participates in β ladder)trans-145.4150.8-172.465.90000112.9V27 D28 C100 D101 L167S3-V27 CarbonylContact O-C 3.49Å; S3-V27 VanDerWaalsContact O-CA 3.31Å; S3-V27 WeakPolarHBondContact O-CA 3.42Å; S3-D28 WeakPolarHBondContact CB-OD1 3.36Å; S3-D28 PolarHBondContact N-OD1 2.7Å; S3-D28 PolarHBondContact O-N 3.48Å; S3-D28 PolarHBondContact OG-OD1 2.98Å; S3-C100 WeakPolarHBondContact CA-O 3.46Å; S3-D101 VanDerWaalsContact CB-OD1 3.24Å; S3-D101 WeakPolarHBondContact CB-OD1 3.31Å; S3-L167 WeakPolarHBondContact O-CD1 3.49Å
4M98.5Very high96.9Very high0 Ų039.4 Ų39.40%022%0.215CC..EExtended strand (participates in β ladder)trans-123.9122.3166.3179.3174.757.900108.7Y6 Y26 F32 G99 C100 C163 W166 L167 Y170M4-Y6 HydrophobicContact CE-CE2 4Å; M4-Y6 HydrophobicContact CG-CD2 4.42Å; M4-Y6 HydrophobicContact CG-CE2 3.84Å; M4-Y6 HydrophobicContact SD-CE2 3.63Å; M4-Y26 WeakPolarHBondContact CA-O 3.26Å; M4-F32 HydrophobicContact CG-CE1 4.44Å; M4-F32 HydrophobicContact SD-CZ 4.29Å; M4-G99 CarbonylContact O-C 3.59Å; M4-G99 WeakPolarHBondContact O-CA 3.47Å; M4-C100 PolarHBondContact N-O 3.4Å; M4-C100 PolarHBondContact O-N 2.99Å; M4-C163 HydrophobicContact CE-CB 4.11Å; M4-C163 WeakPolarHBondContact CE-O 3.5Å; M4-C163 WeakPolarHBondContact CE-SG 3.45Å; M4-W166 HydrophobicContact CE-CB 4.04Å; M4-W166 HydrophobicContact SD-CB 4.36Å; M4-L167 HydrophobicContact CB-CB 4.09Å; M4-L167 HydrophobicContact CB-CD1 4.01Å; M4-L167 HydrophobicContact CB-CD2 4.2Å; M4-L167 HydrophobicContact CB-CG 4.32Å; M4-Y170 HydrophobicContact SD-CD2 3.87Å; M4-Y170 HydrophobicContact SD-CE2 3.5Å; M4-Y170 VanDerWaalsContact SD-CE2 3.5Å
5R98.6Very high96.4Very high47 Ų4742.9 Ų42.918%0.17726%0.264CS..EExtended strand (participates in β ladder)trans-129.9133.1-177-52.7-63-174.174.62.8110.7F7 Y26 D101 Y112R5-F7 HydrophobicContact CB-CD2 4.49Å; R5-F7 HydrophobicContact CB-CE2 3.67Å; R5-F7 HydrophobicContact CB-CZ 4.01Å; R5-Y26 PolarHBondContact N-O 2.99Å; R5-Y26 PolarHBondContact O-N 2.9Å; R5-D101 IonicContact CZ-OD1 3.8Å; R5-D101 VanDerWaalsContact CZ-OD1 3.23Å; R5-D101 IonicContact CZ-OD2 3.78Å; R5-D101 IonicContact NE-OD1 3.68Å; R5-D101 PolarHBondContact NE-OD1 3.35Å; R5-D101 IonicContact NH2-OD1 2.89Å; R5-D101 PolarHBondContact NH2-OD1 3.22Å; R5-D101 IonicContact NH2-OD2 3.44Å; R5-D101 PolarHBondContact NH2-OD2 3.43Å; R5-Y112 PolarHBondContact NH2-OH 3.36Å
6Y98.8Very high96.2Very high9 Ų953.6 Ų53.64%0.03530%0.298CS..EExtended strand (participates in β ladder)trans-112.7134.4172.1-66-90.5000109.9M4 F8 V24 F32 V33 M97 Y98M4-Y6 HydrophobicContact CE-CE2 4Å; M4-Y6 HydrophobicContact CG-CD2 4.42Å; M4-Y6 HydrophobicContact CG-CE2 3.84Å; M4-Y6 HydrophobicContact SD-CE2 3.63Å; Y6-F8 HydrophobicContact CD1-CE1 4.5Å; Y6-V24 WeakPolarHBondContact CA-O 3.49Å; Y6-F32 AromaticContact CE1-CZ 3.96Å; Y6-F32 HydrophobicContact CE1-CZ 3.96Å; Y6-F32 AromaticContact CZ-CZ 3.86Å; Y6-V33 HydrophobicContact CE1-CG2 4.21Å; Y6-M97 WeakPolarHBondContact O-CA 3.39Å; Y6-Y98 HydrophobicContact CD2-CD2 4.37Å; Y6-Y98 AromaticContact CD2-CE2 3.61Å; Y6-Y98 HydrophobicContact CD2-CE2 3.61Å; Y6-Y98 AromaticContact CD2-CZ 3.72Å; Y6-Y98 HydrophobicContact CE2-CE2 4.33Å; Y6-Y98 HydrophobicContact CG-CE1 4.29Å; Y6-Y98 HydrophobicContact CG-CE2 4.14Å; Y6-Y98 AromaticContact CG-CZ 3.76Å; Y6-Y98 PolarHBondContact N-O 3.35Å; Y6-Y98 PolarHBondContact O-N 2.73Å; Y6-Y98 VanDerWaalsContact O-N 3.09Å
7F98.8Very high95.9Very high85 Ų8554.1 Ų54.137%0.37332%0.318SS..EExtended strand (participates in β ladder)trans-121.9117.1179-55.4-100000109.1R5 A23 V24 Y26 R96 M97R5-F7 HydrophobicContact CB-CD2 4.49Å; R5-F7 HydrophobicContact CB-CE2 3.67Å; R5-F7 HydrophobicContact CB-CZ 4.01Å; F7-A23 WeakPolarHBondContact O-CA 3.5Å; F7-V24 HydrophobicContact CB-CG2 3.87Å; F7-V24 HydrophobicContact CD2-CG2 4.36Å; F7-V24 PolarHBondContact N-O 3.46Å; F7-V24 PolarHBondContact O-N 2.99Å; F7-Y26 HydrophobicContact CD2-CD2 4.12Å; F7-Y26 HydrophobicContact CE2-CD2 4.15Å; F7-R96 WeakPolarHBondContact CA-O 3.34Å; F7-M97 HydrophobicContact CD1-CB 4.02Å; F7-M97 HydrophobicContact CD1-CG 3.56Å; F7-M97 HydrophobicContact CE1-CB 4.25Å; F7-M97 HydrophobicContact CE1-CG 3.4Å; F7-M97 HydrophobicContact CG-CG 4.31Å; F7-M97 HydrophobicContact CZ-CG 4.02Å
8F98.8Very high95.8Very high5 Ų556.4 Ų56.42%0.02233%0.325CS..EExtended strand (participates in β ladder)trans-111.2135.3176.8-58.8-12.1000109.3Y6 F21 I22 A23 H69 H73 Q95 R96 Y98Y6-F8 HydrophobicContact CD1-CE1 4.5Å; F8-F21 HydrophobicContact CB-CE2 3.96Å; F8-F21 HydrophobicContact CB-CZ 3.78Å; F8-F21 HydrophobicContact CD1-CZ 4.36Å; F8-F21 HydrophobicContact CD2-CE2 4.42Å; F8-F21 AromaticContact CD2-CZ 3.83Å; F8-F21 HydrophobicContact CD2-CZ 3.83Å; F8-F21 HydrophobicContact CG-CE2 4.37Å; F8-F21 AromaticContact CG-CZ 3.75Å; F8-F21 HydrophobicContact CG-CZ 3.75Å; F8-I22 WeakPolarHBondContact CA-O 3.3Å; F8-A23 HydrophobicContact CD1-CB 3.29Å; F8-A23 HydrophobicContact CE1-CB 3.56Å; F8-A23 HydrophobicContact CG-CB 4.18Å; F8-H69 HydrophobicContact CD2-CB 4.11Å; F8-H69 HydrophobicContact CE2-CB 3.74Å; F8-H69 AromaticContact CE2-CD2 3.42Å; F8-H69 VanDerWaalsContact CE2-CD2 3.42Å; F8-H69 WeakPolarHBondContact CE2-CD2 3.35Å; F8-H69 AromaticContact CE2-CG 3.63Å; F8-H69 AromaticContact CZ-CD2 3.92Å; F8-H73 AromaticContact CD2-NE2 3.82Å; F8-Q95 CarbonylContact O-C 3.59Å; F8-Q95 VanDerWaalsContact O-CA 3.31Å; F8-Q95 WeakPolarHBondContact O-CA 3.34Å; F8-R96 HydrophobicContact CB-CB 4.35Å; F8-R96 PolarHBondContact N-O 3.15Å; F8-R96 PolarHBondContact O-N 2.73Å; F8-Y98 HydrophobicContact CD2-CE1 4.28Å; F8-Y98 HydrophobicContact CE1-CE1 4.11Å; F8-Y98 AromaticContact CE2-CE1 3.65Å; F8-Y98 HydrophobicContact CE2-CE1 3.65Å; F8-Y98 AromaticContact CZ-CE1 3.56Å; F8-Y98 HydrophobicContact CZ-CE1 3.56Å; F8-Y98 AromaticContact CZ-CZ 3.92Å; F8-Y98 WeakPolarHBondContact CZ-OH 3.34Å
9T98.8Very high95.8Very high43 Ų4354.7 Ų54.726%0.26432%0.316SS..EExtended strand (participates in β ladder)trans-132.4126.9176.7-61.80000109.4V11 F21 I22 T93 Q95T9-V11 HydrophobicContact CG2-CG2 4.15Å; T9-F21 WeakPolarHBondContact O-CA 3.39Å; T9-I22 PolarHBondContact N-O 2.94Å; T9-I22 PolarHBondContact O-N 3.03Å; T9-T93 HydrophobicContact CG2-CG2 3.92Å; T9-Q95 HydrophobicContact CG2-CG 4.06Å
10S98.6Very high95.9Very high1 Ų156.5 Ų56.51%0.00732%0.317CS..EExtended strand (participates in β ladder)trans-121.6122.9176.7-163.90000110R20 L77 T93 V94S10-R20 CarbonylContact C-O 3.58Å; S10-R20 VanDerWaalsContact CA-O 3.29Å; S10-R20 WeakPolarHBondContact CA-O 3.36Å; S10-L77 WeakPolarHBondContact OG-CD1 3.33Å; S10-T93 CarbonylContact O-C 3.58Å; S10-T93 WeakPolarHBondContact O-CA 3.45Å; S10-V94 PolarHBondContact N-O 3.46Å; S10-V94 PolarHBondContact O-N 2.8Å
11V98.4Very high96.1Very high47 Ų4753.8 Ų53.829%0.28530%0.302SS..EExtended strand (participates in β ladder)trans-116118.7-179-173.30000109T9 P19 R20 H92 T93T9-V11 HydrophobicContact CG2-CG2 4.15Å; V11-P19 CarbonylContact O-C 3.54Å; V11-P19 WeakPolarHBondContact O-CA 3.34Å; V11-P19 WeakPolarHBondContact O-CB 3.37Å; V11-R20 PolarHBondContact N-O 2.93Å; V11-R20 PolarHBondContact O-N 3.31Å; V11-H92 CarbonylContact C-O 3.56Å; V11-H92 WeakPolarHBondContact CA-O 3.49Å; V11-T93 HydrophobicContact CG2-CG2 4.11Å
12S97.6Very high96.5Very high18 Ų1850.3 Ų50.313%0.12627%0.274CS..  trans-66.2151.4175.873.10000111.4G90 S91 H92S12-G90 PolarHBondContact OG-O 2.81Å; S12-S91 PolarHBondContact O-OG 2.84Å; S12-H92 PolarHBondContact N-O 2.91Å; S12-H92 PolarHBondContact OG-N 3.02Å
13R96.3Very high96.7Very high71 Ų7148.2 Ų48.227%0.26827%0.265SS..  trans-132.369.9-175.4-66.3-166.8-74.4-156.3-12111.8G15 R16 E18 D38R13-G15 PolarHBondContact O-N 3.47Å; R13-R16 HydrophobicContact CB-CB 4.1Å; R13-R16 CarbonylContact O-C 3.57Å; R13-R16 WeakPolarHBondContact O-CA 3.33Å; R13-R16 PolarHBondContact O-N 2.91Å; R13-E18 VanDerWaalsContact CZ-O 3.27Å; R13-E18 PolarHBondContact NE-O 2.91Å; R13-E18 PolarHBondContact NH2-O 2.93Å; R13-D38 IonicContact CZ-OD1 3.17Å; R13-D38 IonicContact CZ-OD2 3.15Å; R13-D38 IonicContact NH1-OD1 3.62Å; R13-D38 PolarHBondContact NH1-OD1 3.39Å; R13-D38 IonicContact NH1-OD2 3.36Å; R13-D38 PolarHBondContact NH1-OD2 3.36Å; R13-D38 IonicContact NH2-OD1 2.84Å; R13-D38 PolarHBondContact NH2-OD1 3.32Å; R13-D38 IonicContact NH2-OD2 3.98Å
14P91.8Very high96.8Very high48 Ų4848.5 Ų48.531%0.31227%0.266SS..THydrogen-bonded Turntrans-49.8127.4-178.6-26.934.4000112.7R16 E88 G90P14-R16 PolarHBondContact O-N 2.9Å; P14-R16 VanDerWaalsContact O-N 3.14Å; P14-E88 WeakPolarHBondContact CG-O 3.39Å; P14-G90 WeakPolarHBondContact CG-O 3.07Å
15G89.8Confident96.8Very high92 Ų9248.5 Ų48.595%0.94827%0.266SS*.THydrogen-bonded Turntrans65.87.1-177.500000115.9R13R13-G15 PolarHBondContact O-N 3.47Å
16R92Very high96.8Very high213 Ų21349.6 Ų49.680%0.80427%0.27SS*.SBendtrans-129.824.7-175.2-62.5-178.8-175.3-175.81.7113.3R13 P14R13-R16 HydrophobicContact CB-CB 4.1Å; R13-R16 CarbonylContact O-C 3.57Å; R13-R16 WeakPolarHBondContact O-CA 3.33Å; R13-R16 PolarHBondContact O-N 2.91Å; P14-R16 PolarHBondContact O-N 2.9Å; P14-R16 VanDerWaalsContact O-N 3.14Å
17G91Very high96.7Very high62 Ų6249.2 Ų49.264%0.63927%0.269SS*.SBendtrans92.3-160.7176.400000114.5
18E94.1Very high96.5Very high96 Ų9646.8 Ų46.845%0.44926%0.259SS..SBendtrans-64.8153.5-178.4-65.9-67.5176.300112.4R13 R74R13-E18 VanDerWaalsContact CZ-O 3.27Å; R13-E18 PolarHBondContact NE-O 2.91Å; R13-E18 PolarHBondContact NH2-O 2.93Å; E18-R74 VanDerWaalsContact CD-NH2 3.32Å; E18-R74 IonicContact OE1-CZ 2.68Å; E18-R74 IonicContact OE1-NH1 2.73Å; E18-R74 PolarHBondContact OE1-NH1 2.88Å; E18-R74 IonicContact OE1-NH2 3.91Å; E18-R74 PolarHBondContact OE1-NH2 2.9Å; E18-R74 IonicContact OE2-CZ 2.81Å; E18-R74 IonicContact OE2-NE 3.65Å; E18-R74 PolarHBondContact OE2-NE 3.23Å; E18-R74 IonicContact OE2-NH1 3.41Å; E18-R74 PolarHBondContact OE2-NH1 2.65Å; E18-R74 VanDerWaalsContact OE2-NH1 3.17Å; E18-R74 IonicContact OE2-NH2 3.32Å; E18-R74 PolarHBondContact OE2-NH2 2.95Å; E18-R74 VanDerWaalsContact OE2-NH2 3.13Å
19P97Very high96.3Very high24 Ų2449.6 Ų49.616%0.15628%0.275CS..PPolyproline II helixtrans-51.9142.4172.7-25.734.9000112.6V11 R74 L77V11-P19 CarbonylContact O-C 3.54Å; V11-P19 WeakPolarHBondContact O-CA 3.34Å; V11-P19 WeakPolarHBondContact O-CB 3.37Å; P19-R74 HydrophobicContact CG-CG 4.45Å; P19-L77 HydrophobicContact CB-CD1 3.62Å; P19-L77 HydrophobicContact CG-CD1 3.7Å
20R98.1Very high96.1Very high90 Ų9048.5 Ų48.534%0.3427%0.268SS..EExtended strand (participates in β ladder)trans-78.7123.6169.9-171.6174.7-177177.2-1.7108.6S10 V11 I22 D36 S37 D38S10-R20 CarbonylContact C-O 3.58Å; S10-R20 VanDerWaalsContact CA-O 3.29Å; S10-R20 WeakPolarHBondContact CA-O 3.36Å; V11-R20 PolarHBondContact N-O 2.93Å; V11-R20 PolarHBondContact O-N 3.31Å; R20-I22 HydrophobicContact CG-CG1 4.37Å; R20-D36 IonicContact CZ-OD1 3.38Å; R20-D36 IonicContact CZ-OD2 3.95Å; R20-D36 IonicContact NE-OD1 2.75Å; R20-D36 PolarHBondContact NE-OD1 2.95Å; R20-D36 IonicContact NE-OD2 2.71Å; R20-D36 VanDerWaalsContact NH2-CG 3.3Å; R20-D36 IonicContact NH2-OD1 2.73Å; R20-D36 PolarHBondContact NH2-OD1 3.49Å; R20-D36 VanDerWaalsContact NH2-OD1 3.15Å; R20-D36 IonicContact NH2-OD2 2.65Å; R20-D36 PolarHBondContact NH2-OD2 3.46Å; R20-S37 WeakPolarHBondContact CA-OG 3.39Å; R20-D38 WeakPolarHBondContact CD-OD2 3.36Å; R20-D38 IonicContact CZ-OD2 2.87Å; R20-D38 IonicContact NE-OD2 2.83Å; R20-D38 PolarHBondContact NE-OD2 3.42Å
21F98.7Very high96.1Very high0 Ų050.7 Ų50.70%028%0.278CS..EExtended strand (participates in β ladder)trans-112.5120.7175.6-177.2-88.1000110.3F8 T9 A23 F35 S37 V66 H69 S70 H73F8-F21 HydrophobicContact CB-CE2 3.96Å; F8-F21 HydrophobicContact CB-CZ 3.78Å; F8-F21 HydrophobicContact CD1-CZ 4.36Å; F8-F21 HydrophobicContact CD2-CE2 4.42Å; F8-F21 AromaticContact CD2-CZ 3.83Å; F8-F21 HydrophobicContact CD2-CZ 3.83Å; F8-F21 HydrophobicContact CG-CE2 4.37Å; F8-F21 AromaticContact CG-CZ 3.75Å; F8-F21 HydrophobicContact CG-CZ 3.75Å; T9-F21 WeakPolarHBondContact O-CA 3.39Å; F21-A23 HydrophobicContact CE1-CB 3.78Å; F21-A23 HydrophobicContact CZ-CB 4.29Å; F21-F35 AromaticContact CD1-CD1 3.86Å; F21-F35 HydrophobicContact CD1-CD1 3.86Å; F21-F35 AromaticContact CD1-CE1 3.91Å; F21-F35 HydrophobicContact CD1-CE1 3.91Å; F21-F35 HydrophobicContact CE1-CD1 4.26Å; F21-S37 PolarHBondContact N-OG 3Å; F21-S37 PolarHBondContact O-N 2.97Å; F21-V66 HydrophobicContact CE1-CG2 3.74Å; F21-H69 HydrophobicContact CZ-CB 4.22Å; F21-S70 WeakPolarHBondContact CB-OG 3.32Å; F21-H73 HydrophobicContact CD2-CB 4Å; F21-H73 HydrophobicContact CE2-CB 3.98Å; F21-H73 AromaticContact CE2-CD2 3.82Å; F21-H73 AromaticContact CE2-CG 3.65Å; F21-H73 AromaticContact CE2-ND1 3.86Å
22I98.8Very high96Very high44 Ų4448.5 Ų48.523%0.22627%0.265CS..EExtended strand (participates in β ladder)trans-115.9135.3173.3-63.9166.3000107.9F8 T9 R20 V24 F35F8-I22 WeakPolarHBondContact CA-O 3.3Å; T9-I22 PolarHBondContact N-O 2.94Å; T9-I22 PolarHBondContact O-N 3.03Å; R20-I22 HydrophobicContact CG-CG1 4.37Å; I22-V24 HydrophobicContact CG2-CG1 4.37Å; I22-F35 WeakPolarHBondContact CA-O 3.48Å
23A98.8Very high96.1Very high1 Ų147.7 Ų47.71%0.00826%0.259CS..EExtended strand (participates in β ladder)trans-127.2141.3169.100000110.4F7 F8 F21 R34 F35 V66F7-A23 WeakPolarHBondContact O-CA 3.5Å; F8-A23 HydrophobicContact CD1-CB 3.29Å; F8-A23 HydrophobicContact CE1-CB 3.56Å; F8-A23 HydrophobicContact CG-CB 4.18Å; F21-A23 HydrophobicContact CE1-CB 3.78Å; F21-A23 HydrophobicContact CZ-CB 4.29Å; A23-R34 CarbonylContact O-C 3.58Å; A23-R34 WeakPolarHBondContact O-CA 3.4Å; A23-F35 HydrophobicContact CB-CB 4.28Å; A23-F35 PolarHBondContact N-O 3.41Å; A23-F35 PolarHBondContact O-N 3.49Å; A23-V66 HydrophobicContact CB-CG2 3.64Å
24V98.8Very high96.2Very high23 Ų2347.6 Ų47.614%0.13926%0.259CS..EExtended strand (participates in β ladder)trans-135.5144.1174.2-63.50000110Y6 F7 I22 Y26 Q31 V33 R34Y6-V24 WeakPolarHBondContact CA-O 3.49Å; F7-V24 HydrophobicContact CB-CG2 3.87Å; F7-V24 HydrophobicContact CD2-CG2 4.36Å; F7-V24 PolarHBondContact N-O 3.46Å; F7-V24 PolarHBondContact O-N 2.99Å; I22-V24 HydrophobicContact CG2-CG1 4.37Å; V24-Y26 HydrophobicContact CB-CE2 4.02Å; V24-Y26 HydrophobicContact CG2-CD2 4.28Å; V24-Y26 HydrophobicContact CG2-CE2 3.76Å; V24-Q31 VanDerWaalsContact CG1-NE2 3.28Å; V24-V33 WeakPolarHBondContact CA-O 3.44Å; V24-R34 HydrophobicContact CG1-CG 4.22Å
25G98.6Very high96.5Very high0 Ų045.5 Ų45.50%025%0.245CC..EExtended strand (participates in β ladder)trans-121.6136.417600000110.8Q31 F32 V33G25-Q31 WeakPolarHBondContact O-CG 3.23Å; G25-F32 WeakPolarHBondContact O-CD1 3.38Å; G25-F32 PolarHBondContact O-N 2.93Å; G25-V33 PolarHBondContact N-O 2.93Å; G25-V33 PolarHBondContact O-N 2.88Å
26Y98.4Very high96.9Very high70 Ų7041.9 Ų41.928%0.27520%0.204SC..EExtended strand (participates in β ladder)trans-125.1142.3-179.1-76.9-103.7000110.9M4 R5 F7 V24 T30 Q31M4-Y26 WeakPolarHBondContact CA-O 3.26Å; R5-Y26 PolarHBondContact N-O 2.99Å; R5-Y26 PolarHBondContact O-N 2.9Å; F7-Y26 HydrophobicContact CD2-CD2 4.12Å; F7-Y26 HydrophobicContact CE2-CD2 4.15Å; V24-Y26 HydrophobicContact CB-CE2 4.02Å; V24-Y26 HydrophobicContact CG2-CD2 4.28Å; V24-Y26 HydrophobicContact CG2-CE2 3.76Å; Y26-T30 WeakPolarHBondContact CA-O 3.47Å; Y26-Q31 HydrophobicContact CD1-CB 4.06Å; Y26-Q31 HydrophobicContact CD2-CB 4.49Å; Y26-Q31 HydrophobicContact CD2-CG 4.26Å; Y26-Q31 HydrophobicContact CE1-CB 3.62Å; Y26-Q31 HydrophobicContact CE1-CG 4.3Å; Y26-Q31 HydrophobicContact CE2-CB 4.09Å; Y26-Q31 HydrophobicContact CE2-CG 3.84Å; Y26-Q31 HydrophobicContact CG-CB 4.46Å
27V97.9Very high97.2Very high0 Ų032.5 Ų32.50%017%0.17CC..EExtended strand (participates in β ladder)trans-111.7115.1159.3175.70000106.2S3 D29 T30 F32 W50 L167 Y170 L171 L178S3-V27 CarbonylContact O-C 3.49Å; S3-V27 VanDerWaalsContact O-CA 3.31Å; S3-V27 WeakPolarHBondContact O-CA 3.42Å; V27-D29 PolarHBondContact O-N 3.37Å; V27-T30 PolarHBondContact N-O 2.93Å; V27-T30 WeakPolarHBondContact O-CB 3.38Å; V27-T30 PolarHBondContact O-N 3.41Å; V27-F32 HydrophobicContact CG2-CD1 3.88Å; V27-F32 HydrophobicContact CG2-CE1 3.89Å; V27-W50 HydrophobicContact CB-CH2 4.41Å; V27-W50 HydrophobicContact CG2-CH2 3.93Å; V27-L167 HydrophobicContact CG1-CD1 3.72Å; V27-L167 HydrophobicContact CG2-CD1 4.36Å; V27-Y170 HydrophobicContact CG2-CD2 3.89Å; V27-Y170 HydrophobicContact CG2-CG 4.48Å; V27-L171 HydrophobicContact CG1-CD2 3.89Å; V27-L171 HydrophobicContact CG1-CG 4.06Å; V27-L178 HydrophobicContact CB-CD1 4.37Å; V27-L178 HydrophobicContact CB-CD2 4.28Å; V27-L178 HydrophobicContact CG1-CD1 3.98Å; V27-L178 HydrophobicContact CG1-CD2 4.25Å
28D94.8Very high97.5Very high34 Ų3433.1 Ų33.118%0.18216%0.159CC..THydrogen-bonded Turntrans43.8-125.6-162.2-60.1-49.4000111.2Q2 S3 T30Q2-D28 WeakPolarHBondContact CA-OD1 3.28Å; Q2-D28 VanDerWaalsContact CD-OD2 3.31Å; Q2-D28 PolarHBondContact NE2-OD2 2.97Å; S3-D28 WeakPolarHBondContact CB-OD1 3.36Å; S3-D28 PolarHBondContact N-OD1 2.7Å; S3-D28 PolarHBondContact O-N 3.48Å; S3-D28 PolarHBondContact OG-OD1 2.98Å; D28-T30 VanDerWaalsContact C-N 3.29Å; D28-T30 PolarHBondContact O-N 3.42Å
29D93.9Very high97.7Very high65 Ų6530.1 Ų30.135%0.34815%0.151SC..THydrogen-bonded Turntrans-81.7-4.2-178.9-56.5-54.2000114V27 Y208 P209 A210 F240V27-D29 PolarHBondContact O-N 3.37Å; D29-Y208 HydrophobicContact CB-CE2 4.45Å; D29-P209 WeakPolarHBondContact OD2-CB 3.32Å; D29-A210 HydrophobicContact CB-CB 4.22Å; D29-A210 VanDerWaalsContact CG-CB 3.44Å; D29-A210 VanDerWaalsContact OD2-CB 3.29Å; D29-A210 WeakPolarHBondContact OD2-CB 3.11Å; D29-A210 PolarHBondContact OD2-N 3.1Å; D29-F240 HydrophobicContact CB-CE2 3.78Å; D29-F240 HydrophobicContact CB-CZ 3.65Å
30T95.5Very high97.7Very high19 Ų1934.4 Ų34.412%0.11719%0.188CC..EExtended strand (participates in β ladder)trans-95.8115.7-173.4-64.10000111.8Y26 V27 D28 F32 A48 L178 Y208Y26-T30 WeakPolarHBondContact CA-O 3.47Å; V27-T30 PolarHBondContact N-O 2.93Å; V27-T30 WeakPolarHBondContact O-CB 3.38Å; V27-T30 PolarHBondContact O-N 3.41Å; D28-T30 VanDerWaalsContact C-N 3.29Å; D28-T30 PolarHBondContact O-N 3.42Å; T30-F32 PolarHBondContact O-N 3.43Å; T30-A48 HydrophobicContact CG2-CB 4.41Å; T30-L178 HydrophobicContact CG2-CD2 3.82Å; T30-Y208 WeakPolarHBondContact OG1-CE2 3.4Å; T30-Y208 PolarHBondContact OG1-OH 3.31Å; T30-Y208 VanDerWaalsContact OG1-OH 3.08Å
31Q97.1Very high97.5Very high48 Ų4832.5 Ų32.522%0.22419%0.189CC..EExtended strand (participates in β ladder)trans-70.1128.2172-165.2-175-5.800110.6V24 G25 Y26 V33 R47V24-Q31 VanDerWaalsContact CG1-NE2 3.28Å; G25-Q31 WeakPolarHBondContact O-CG 3.23Å; Y26-Q31 HydrophobicContact CD1-CB 4.06Å; Y26-Q31 HydrophobicContact CD2-CB 4.49Å; Y26-Q31 HydrophobicContact CD2-CG 4.26Å; Y26-Q31 HydrophobicContact CE1-CB 3.62Å; Y26-Q31 HydrophobicContact CE1-CG 4.3Å; Y26-Q31 HydrophobicContact CE2-CB 4.09Å; Y26-Q31 HydrophobicContact CE2-CG 3.84Å; Y26-Q31 HydrophobicContact CG-CB 4.46Å; Q31-V33 PolarHBondContact NE2-O 2.93Å; Q31-R47 HydrophobicContact CG-CB 4.23Å; Q31-R47 CarbonylContact O-C 3.6Å
32F98Very high97.3Very high0 Ų036.9 Ų36.90%021%0.209CC..EExtended strand (participates in β ladder)trans-116.8-23.3179.375-83000114.6M4 Y6 G25 V27 T30 P46 R47 A48 W50 I51 Y170M4-F32 HydrophobicContact CG-CE1 4.44Å; M4-F32 HydrophobicContact SD-CZ 4.29Å; Y6-F32 AromaticContact CE1-CZ 3.96Å; Y6-F32 HydrophobicContact CE1-CZ 3.96Å; Y6-F32 AromaticContact CZ-CZ 3.86Å; G25-F32 WeakPolarHBondContact O-CD1 3.38Å; G25-F32 PolarHBondContact O-N 2.93Å; V27-F32 HydrophobicContact CG2-CD1 3.88Å; V27-F32 HydrophobicContact CG2-CE1 3.89Å; T30-F32 PolarHBondContact O-N 3.43Å; F32-P46 CarbonylContact O-C 3.54Å; F32-R47 PolarHBondContact O-N 3.34Å; F32-A48 HydrophobicContact CB-CB 4.3Å; F32-W50 HydrophobicContact CB-CH2 3.21Å; F32-W50 HydrophobicContact CB-CZ2 3.38Å; F32-W50 HydrophobicContact CB-CZ3 4.05Å; F32-W50 HydrophobicContact CD1-CH2 4.11Å; F32-W50 AromaticContact CD2-CH2 3.9Å; F32-W50 HydrophobicContact CD2-CH2 3.9Å; F32-W50 HydrophobicContact CD2-CZ3 4.22Å; F32-W50 AromaticContact CG-CH2 3.5Å; F32-W50 HydrophobicContact CG-CH2 3.5Å; F32-W50 HydrophobicContact CG-CZ2 4.14Å; F32-W50 HydrophobicContact CG-CZ3 4.26Å; F32-I51 HydrophobicContact CD2-CB 4.46Å; F32-I51 HydrophobicContact CD2-CD1 4.07Å; F32-I51 HydrophobicContact CD2-CG1 4.09Å; F32-I51 HydrophobicContact CE2-CD1 4.42Å; F32-I51 VanDerWaalsContact O-CG2 3.27Å; F32-I51 WeakPolarHBondContact O-CG2 3.35Å; F32-Y170 HydrophobicContact CD2-CE2 4.34Å; F32-Y170 HydrophobicContact CE1-CE2 4.44Å; F32-Y170 HydrophobicContact CE2-CD2 4.06Å; F32-Y170 AromaticContact CE2-CE2 3.46Å; F32-Y170 HydrophobicContact CE2-CE2 3.46Å; F32-Y170 VanDerWaalsContact CE2-CE2 3.46Å; F32-Y170 AromaticContact CE2-CZ 3.76Å; F32-Y170 HydrophobicContact CZ-CD2 4.06Å; F32-Y170 AromaticContact CZ-CE2 3.52Å; F32-Y170 HydrophobicContact CZ-CE2 3.52Å
33V98.5Very high97.3Very high1 Ų141.5 Ų41.51%0.00622%0.224CC..EExtended strand (participates in β ladder)trans-139.2154.7175-71.90000113.9Y6 V24 G25 Q31 M44 E45 W59Y6-V33 HydrophobicContact CE1-CG2 4.21Å; V24-V33 WeakPolarHBondContact CA-O 3.44Å; G25-V33 PolarHBondContact N-O 2.93Å; G25-V33 PolarHBondContact O-N 2.88Å; Q31-V33 PolarHBondContact NE2-O 2.93Å; V33-M44 HydrophobicContact CB-CG 4.04Å; V33-M44 HydrophobicContact CB-SD 3.82Å; V33-M44 HydrophobicContact CG1-CG 4.11Å; V33-M44 HydrophobicContact CG2-SD 4.09Å; V33-E45 WeakPolarHBondContact CA-O 3.28Å; V33-W59 HydrophobicContact CG1-CH2 3.96Å; V33-W59 HydrophobicContact CG1-CZ3 3.86Å
34R98.6Very high97.3Very high69 Ų6942 Ų4226%0.2623%0.226SC..EExtended strand (participates in β ladder)trans-139.8145.9169.4-175.8174.7176.21053.4111.7A23 V24 D36 E45 R47A23-R34 CarbonylContact O-C 3.58Å; A23-R34 WeakPolarHBondContact O-CA 3.4Å; V24-R34 HydrophobicContact CG1-CG 4.22Å; R34-D36 IonicContact CZ-OD2 3.43Å; R34-D36 IonicContact NE-OD2 3.48Å; R34-D36 IonicContact NH2-OD2 2.78Å; R34-D36 PolarHBondContact NH2-OD2 3.36Å; R34-E45 PolarHBondContact N-O 2.94Å; R34-E45 PolarHBondContact O-N 2.86Å; R34-R47 HydrophobicContact CB-CG 3.95Å
35F98.8Very high97.2Very high5 Ų543.6 Ų43.62%0.02223%0.232CC..EExtended strand (participates in β ladder)trans-128.6147.8159.7174.5-83.1000109.5F21 I22 A23 Q42 R43 M44 V66 K67F21-F35 AromaticContact CD1-CD1 3.86Å; F21-F35 HydrophobicContact CD1-CD1 3.86Å; F21-F35 AromaticContact CD1-CE1 3.91Å; F21-F35 HydrophobicContact CD1-CE1 3.91Å; F21-F35 HydrophobicContact CE1-CD1 4.26Å; I22-F35 WeakPolarHBondContact CA-O 3.48Å; A23-F35 HydrophobicContact CB-CB 4.28Å; A23-F35 PolarHBondContact N-O 3.41Å; A23-F35 PolarHBondContact O-N 3.49Å; F35-Q42 HydrophobicContact CE2-CB 4.47Å; F35-R43 WeakPolarHBondContact CD2-O 3.34Å; F35-M44 HydrophobicContact CB-SD 3.98Å; F35-V66 HydrophobicContact CB-CG1 4.07Å; F35-V66 HydrophobicContact CB-CG2 3.75Å; F35-V66 HydrophobicContact CD1-CG1 4.39Å; F35-V66 HydrophobicContact CD1-CG2 3.99Å; F35-V66 HydrophobicContact CD2-CB 4.5Å; F35-V66 HydrophobicContact CD2-CG1 3.35Å; F35-V66 HydrophobicContact CD2-CG2 4.32Å; F35-V66 HydrophobicContact CE2-CG1 3.82Å; F35-V66 HydrophobicContact CG-CB 4.42Å; F35-V66 HydrophobicContact CG-CG1 3.69Å; F35-V66 HydrophobicContact CG-CG2 3.77Å; F35-K67 HydrophobicContact CE2-CG 4.09Å; F35-K67 HydrophobicContact CZ-CG 4.13Å
36D98.6Very high97.2Very high16 Ų1645.7 Ų45.79%0.08625%0.245CC..EExtended strand (participates in β ladder)trans-142.5125.2173.8-155.6-42.1000109.1R20 R34 D38 A39R20-D36 IonicContact CZ-OD1 3.38Å; R20-D36 IonicContact CZ-OD2 3.95Å; R20-D36 IonicContact NE-OD1 2.75Å; R20-D36 PolarHBondContact NE-OD1 2.95Å; R20-D36 IonicContact NE-OD2 2.71Å; R20-D36 VanDerWaalsContact NH2-CG 3.3Å; R20-D36 IonicContact NH2-OD1 2.73Å; R20-D36 PolarHBondContact NH2-OD1 3.49Å; R20-D36 VanDerWaalsContact NH2-OD1 3.15Å; R20-D36 IonicContact NH2-OD2 2.65Å; R20-D36 PolarHBondContact NH2-OD2 3.46Å; R34-D36 IonicContact CZ-OD2 3.43Å; R34-D36 IonicContact NE-OD2 3.48Å; R34-D36 IonicContact NH2-OD2 2.78Å; R34-D36 PolarHBondContact NH2-OD2 3.36Å; D36-D38 PolarHBondContact O-N 2.89Å; D36-D38 PolarHBondContact OD1-N 3.46Å; D36-A39 HydrophobicContact CB-CB 4.13Å; D36-A39 PolarHBondContact O-N 2.94Å
37S98.1Very high97.2Very high15 Ų1547.4 Ų47.411%0.10525%0.252CS..THydrogen-bonded Turntrans-61.2-26.5-178.659.50000113.4R20 F21 Q42R20-S37 WeakPolarHBondContact CA-OG 3.39Å; F21-S37 PolarHBondContact N-OG 3Å; F21-S37 PolarHBondContact O-N 2.97Å; S37-Q42 PolarHBondContact O-NE2 3.44Å
38D97.3Very high97.1Very high76 Ų7647.7 Ų47.741%0.40625%0.254SS..THydrogen-bonded Turntrans-91.5-6-174.9-62.95.1000112.2R13 R20 D36R13-D38 IonicContact CZ-OD1 3.17Å; R13-D38 IonicContact CZ-OD2 3.15Å; R13-D38 IonicContact NH1-OD1 3.62Å; R13-D38 PolarHBondContact NH1-OD1 3.39Å; R13-D38 IonicContact NH1-OD2 3.36Å; R13-D38 PolarHBondContact NH1-OD2 3.36Å; R13-D38 IonicContact NH2-OD1 2.84Å; R13-D38 PolarHBondContact NH2-OD1 3.32Å; R13-D38 IonicContact NH2-OD2 3.98Å; R20-D38 WeakPolarHBondContact CD-OD2 3.36Å; R20-D38 IonicContact CZ-OD2 2.87Å; R20-D38 IonicContact NE-OD2 2.83Å; R20-D38 PolarHBondContact NE-OD2 3.42Å; D36-D38 PolarHBondContact O-N 2.89Å; D36-D38 PolarHBondContact OD1-N 3.46Å
39A97.2Very high97.1Very high32 Ų3250.9 Ų50.926%0.26428%0.276SS..SBendtrans-76.5136.5175.100000111D36 S41 Q42D36-A39 HydrophobicContact CB-CB 4.13Å; D36-A39 PolarHBondContact O-N 2.94Å; A39-S41 PolarHBondContact O-N 2.93Å; A39-S41 VanDerWaalsContact O-N 3.11Å; A39-Q42 WeakPolarHBondContact O-CG 3.47Å; A39-Q42 PolarHBondContact O-N 2.89Å
40A96.4Very high97.2Very high114 Ų11448.5 Ų48.594%0.94226%0.262SS*.THydrogen-bonded Turntrans-60.9-23.2-178.400000114.1
41S93.9Very high97.3Very high51 Ų5147.6 Ų47.636%0.35726%0.257SS..THydrogen-bonded Turntrans-69.3-35.417458.30000112.8A39 R43 E45A39-S41 PolarHBondContact O-N 2.93Å; A39-S41 VanDerWaalsContact O-N 3.11Å; S41-R43 PolarHBondContact O-N 3.27Å; S41-R43 VanDerWaalsContact O-N 3.14Å; S41-E45 WeakPolarHBondContact CB-OE1 3.49Å; S41-E45 PolarHBondContact OG-OE1 3.43Å
42Q95.9Very high97.3Very high92 Ų9251 Ų5143%0.4327%0.273SS..  trans33.551.5-163.5-63.2-167.2-19.100112.7F35 S37 A39 K67F35-Q42 HydrophobicContact CE2-CB 4.47Å; S37-Q42 PolarHBondContact O-NE2 3.44Å; A39-Q42 WeakPolarHBondContact O-CG 3.47Å; A39-Q42 PolarHBondContact O-N 2.89Å; Q42-K67 WeakPolarHBondContact O-CE 3.42Å; Q42-K67 PolarHBondContact O-NZ 2.77Å
43R98Very high97.1Very high141 Ų14157.2 Ų57.253%0.53230%0.302SS..SBendtrans-124.2159.4178.8-88.3176.2160.3134.2-4.8110.4F35 S41 D60 T63F35-R43 WeakPolarHBondContact CD2-O 3.34Å; S41-R43 PolarHBondContact O-N 3.27Å; S41-R43 VanDerWaalsContact O-N 3.14Å; R43-D60 IonicContact NH2-OD1 3.7Å; R43-T63 HydrophobicContact CG-CG2 4.01Å
44M98.4Very high97Very high12 Ų1257.8 Ų57.86%0.05930%0.304CS..  trans-70.4130.9160.6-167.969.784.300107.5V33 F35 W59 E62 T63 V66V33-M44 HydrophobicContact CB-CG 4.04Å; V33-M44 HydrophobicContact CB-SD 3.82Å; V33-M44 HydrophobicContact CG1-CG 4.11Å; V33-M44 HydrophobicContact CG2-SD 4.09Å; F35-M44 HydrophobicContact CB-SD 3.98Å; M44-W59 HydrophobicContact CB-CE3 4.31Å; M44-W59 HydrophobicContact CG-CE3 4.34Å; M44-W59 HydrophobicContact CG-CZ3 4.09Å; M44-E62 HydrophobicContact CB-CB 4.03Å; M44-E62 HydrophobicContact CE-CB 4.15Å; M44-E62 HydrophobicContact CG-CB 4.02Å; M44-T63 PolarHBondContact N-OG1 2.82Å; M44-V66 HydrophobicContact CE-CB 3.78Å; M44-V66 HydrophobicContact CE-CG1 4.07Å; M44-V66 HydrophobicContact CE-CG2 3.95Å
45E98.2Very high97Very high56 Ų5656.1 Ų56.126%0.26231%0.309SS..EExtended strand (participates in β ladder)trans-123.3143.2-175.2-62.1175.417800110.7V33 R34 S41 R47V33-E45 WeakPolarHBondContact CA-O 3.28Å; R34-E45 PolarHBondContact N-O 2.94Å; R34-E45 PolarHBondContact O-N 2.86Å; S41-E45 WeakPolarHBondContact CB-OE1 3.49Å; S41-E45 PolarHBondContact OG-OE1 3.43Å; E45-R47 IonicContact OE2-CZ 3.21Å; E45-R47 IonicContact OE2-NH1 2.75Å; E45-R47 PolarHBondContact OE2-NH1 3.36Å; E45-R47 IonicContact OE2-NH2 3.51Å; E45-R47 PolarHBondContact OE2-NH2 3.3Å
46P98.1Very high96.9Very high43 Ų4360.9 Ų60.928%0.27934%0.34SS..EExtended strand (participates in β ladder)trans-66.3151.2175.628.8-35.8000111.8F32 I51 E52 W59F32-P46 CarbonylContact O-C 3.54Å; P46-I51 HydrophobicContact CB-CG2 3.7Å; P46-E52 HydrophobicContact CB-CG 3.67Å; P46-E52 HydrophobicContact CG-CG 3.92Å; P46-W59 HydrophobicContact CB-CH2 3.66Å; P46-W59 HydrophobicContact CB-CZ2 4.04Å; P46-W59 HydrophobicContact CG-CH2 4.26Å; P46-W59 HydrophobicContact CG-CZ2 4.47Å
47R97.3Very high96.9Very high107 Ų10768.6 Ų68.640%0.40438%0.376SS..SBendtrans-134.61.5172.6-66.8-62.1-177.3-89.34.3113.8Q31 F32 R34 E45Q31-R47 HydrophobicContact CG-CB 4.23Å; Q31-R47 CarbonylContact O-C 3.6Å; F32-R47 PolarHBondContact O-N 3.34Å; R34-R47 HydrophobicContact CB-CG 3.95Å; E45-R47 IonicContact OE2-CZ 3.21Å; E45-R47 IonicContact OE2-NH1 2.75Å; E45-R47 PolarHBondContact OE2-NH1 3.36Å; E45-R47 IonicContact OE2-NH2 3.51Å; E45-R47 PolarHBondContact OE2-NH2 3.3Å
48A95.7Very high96.8Very high6 Ų668.7 Ų68.75%0.0537%0.374CS..SBendtrans-138.8143.6169.500000110.2T30 F32 W50 I51T30-A48 HydrophobicContact CG2-CB 4.41Å; F32-A48 HydrophobicContact CB-CB 4.3Å; A48-W50 VanDerWaalsContact C-N 3.26Å; A48-W50 HydrophobicContact CB-CD2 4.33Å; A48-W50 HydrophobicContact CB-CG 4.42Å; A48-W50 HydrophobicContact CB-CZ2 4.18Å; A48-W50 PolarHBondContact O-N 3.05Å; A48-I51 WeakPolarHBondContact O-CG2 3.11Å; A48-I51 PolarHBondContact O-N 3.17Å
49P95.8Very high96.9Very high100 Ų10067 Ų6765%0.64936%0.362SS*.G310 helixtrans-59.2-34.3-174.6-26.635.3000114.2I51 E52P49-I51 PolarHBondContact O-N 3.45Å; P49-E52 WeakPolarHBondContact O-CB 3.38Å; P49-E52 PolarHBondContact O-N 2.72Å
50W95.8Very high96.9Very high15 Ų1569 Ų696%0.05737%0.369CS..G310 helixtrans-70.1-11.4-176.257-107.4000115V27 F32 A48 Y170 N173 G174 L178V27-W50 HydrophobicContact CB-CH2 4.41Å; V27-W50 HydrophobicContact CG2-CH2 3.93Å; F32-W50 HydrophobicContact CB-CH2 3.21Å; F32-W50 HydrophobicContact CB-CZ2 3.38Å; F32-W50 HydrophobicContact CB-CZ3 4.05Å; F32-W50 HydrophobicContact CD1-CH2 4.11Å; F32-W50 AromaticContact CD2-CH2 3.9Å; F32-W50 HydrophobicContact CD2-CH2 3.9Å; F32-W50 HydrophobicContact CD2-CZ3 4.22Å; F32-W50 AromaticContact CG-CH2 3.5Å; F32-W50 HydrophobicContact CG-CH2 3.5Å; F32-W50 HydrophobicContact CG-CZ2 4.14Å; F32-W50 HydrophobicContact CG-CZ3 4.26Å; A48-W50 VanDerWaalsContact C-N 3.26Å; A48-W50 HydrophobicContact CB-CD2 4.33Å; A48-W50 HydrophobicContact CB-CG 4.42Å; A48-W50 HydrophobicContact CB-CZ2 4.18Å; A48-W50 PolarHBondContact O-N 3.05Å; W50-Y170 HydrophobicContact CH2-CG 4.24Å; W50-Y170 AromaticContact CZ3-CD1 3.97Å; W50-Y170 HydrophobicContact CZ3-CD1 3.97Å; W50-Y170 HydrophobicContact CZ3-CD2 4.47Å; W50-Y170 AromaticContact CZ3-CG 3.76Å; W50-Y170 HydrophobicContact CZ3-CG 3.76Å; W50-N173 HydrophobicContact CE3-CB 4.37Å; W50-G174 VanDerWaalsContact CB-CA 3.43Å; W50-L178 HydrophobicContact CD2-CD1 4.31Å; W50-L178 HydrophobicContact CH2-CD1 4.16Å; W50-L178 HydrophobicContact CZ2-CD1 3.67Å; W50-L178 HydrophobicContact CZ2-CD2 3.9Å; W50-L178 HydrophobicContact CZ2-CG 4.2Å
51I97.6Very high97Very high0 Ų064.2 Ų64.20%033%0.33CS..G310 helixtrans-91.8-18.8170.7-16373.2000112F32 P46 A48 P49 Q53 E54 Y58 W59 Y170F32-I51 HydrophobicContact CD2-CB 4.46Å; F32-I51 HydrophobicContact CD2-CD1 4.07Å; F32-I51 HydrophobicContact CD2-CG1 4.09Å; F32-I51 HydrophobicContact CE2-CD1 4.42Å; F32-I51 VanDerWaalsContact O-CG2 3.27Å; F32-I51 WeakPolarHBondContact O-CG2 3.35Å; P46-I51 HydrophobicContact CB-CG2 3.7Å; A48-I51 WeakPolarHBondContact O-CG2 3.11Å; A48-I51 PolarHBondContact O-N 3.17Å; P49-I51 PolarHBondContact O-N 3.45Å; I51-Q53 PolarHBondContact O-N 2.72Å; I51-Q53 VanDerWaalsContact O-N 3.12Å; I51-E54 HydrophobicContact CD1-CG 3.61Å; I51-E54 HydrophobicContact CG1-CG 4.14Å; I51-E54 WeakPolarHBondContact O-CB 3.35Å; I51-E54 WeakPolarHBondContact O-CG 3.23Å; I51-E54 PolarHBondContact O-N 3.09Å; I51-Y58 HydrophobicContact CD1-CE1 4.19Å; I51-Y58 HydrophobicContact CG1-CE1 4.12Å; I51-W59 HydrophobicContact CG1-CH2 3.85Å; I51-W59 HydrophobicContact CG1-CZ2 3.95Å; I51-W59 HydrophobicContact CG2-CH2 3.97Å; I51-W59 HydrophobicContact CG2-CZ2 4.27Å; I51-W59 WeakPolarHBondContact O-CZ2 3.33Å; I51-Y170 HydrophobicContact CD1-CD1 3.69Å; I51-Y170 HydrophobicContact CD1-CE1 3.35Å
52E96.3Very high97.2Very high121 Ų12162.7 Ų62.757%0.56532%0.317SS*.THydrogen-bonded Turntrans-64.7-20.3-176.3-61.3-176.8-175.300113.3P46 P49 E54P46-E52 HydrophobicContact CB-CG 3.67Å; P46-E52 HydrophobicContact CG-CG 3.92Å; P49-E52 WeakPolarHBondContact O-CB 3.38Å; P49-E52 PolarHBondContact O-N 2.72Å; E52-E54 VanDerWaalsContact C-N 3.26Å; E52-E54 PolarHBondContact O-N 2.82Å
53Q95Very high97.4Very high129 Ų12958.9 Ų58.960%0.60330%0.3SS*.THydrogen-bonded Turntrans-73.9-9.1173.168.9178.11900114.6I51 N173I51-Q53 PolarHBondContact O-N 2.72Å; I51-Q53 VanDerWaalsContact O-N 3.12Å; Q53-N173 PolarHBondContact NE2-ND2 3.18Å; Q53-N173 PolarHBondContact NE2-OD1 2.89Å
54E97.1Very high97.4Very high13 Ų1360.3 Ų60.36%0.06131%0.306CS..SBendtrans-70.2136.1175.7-67-62.4165.900111.4I51 E52 Y58 W59 R169 N173I51-E54 HydrophobicContact CD1-CG 3.61Å; I51-E54 HydrophobicContact CG1-CG 4.14Å; I51-E54 WeakPolarHBondContact O-CB 3.35Å; I51-E54 WeakPolarHBondContact O-CG 3.23Å; I51-E54 PolarHBondContact O-N 3.09Å; E52-E54 VanDerWaalsContact C-N 3.26Å; E52-E54 PolarHBondContact O-N 2.82Å; E54-Y58 HydrophobicContact CB-CD1 3.53Å; E54-Y58 HydrophobicContact CB-CD2 4.47Å; E54-Y58 HydrophobicContact CB-CE1 4.1Å; E54-Y58 HydrophobicContact CB-CG 3.75Å; E54-Y58 HydrophobicContact CG-CD1 4.11Å; E54-Y58 HydrophobicContact CG-CD2 4.47Å; E54-Y58 HydrophobicContact CG-CE1 4.27Å; E54-Y58 HydrophobicContact CG-CG 4.22Å; E54-W59 VanDerWaalsContact O-CD1 3.25Å; E54-W59 PolarHBondContact O-NE1 3.26Å; E54-R169 IonicContact OE1-CZ 2.74Å; E54-R169 IonicContact OE1-NE 3.37Å; E54-R169 PolarHBondContact OE1-NE 3.17Å; E54-R169 IonicContact OE1-NH2 3.2Å; E54-R169 PolarHBondContact OE1-NH2 2.82Å; E54-R169 IonicContact OE2-CZ 2.77Å; E54-R169 IonicContact OE2-NE 2.75Å; E54-R169 PolarHBondContact OE2-NE 3.11Å; E54-R169 IonicContact OE2-NH2 3.16Å; E54-R169 PolarHBondContact OE2-NH2 3.14Å; E54-N173 PolarHBondContact OE1-ND2 3.46Å
55G96.8Very high97.4Very high35 Ų3564.6 Ų64.636%0.36132%0.324SS..  trans-72168-171.300000114.8E57 Y58 W59G55-E57 PolarHBondContact O-N 3.48Å; G55-E57 VanDerWaalsContact O-N 3.11Å; G55-Y58 WeakPolarHBondContact O-CB 3.2Å; G55-Y58 PolarHBondContact O-N 2.87Å; G55-W59 PolarHBondContact O-N 3.43Å
56P97.3Very high97.4Very high104 Ų10462 Ų6268%0.67531%0.312SS*.Hα-helixtrans-54.3-34.7-178.1-2835.9000114.7Y58 W59 D60P56-Y58 VanDerWaalsContact C-N 3.28Å; P56-Y58 PolarHBondContact O-N 3.1Å; P56-W59 PolarHBondContact O-N 3.22Å; P56-D60 PolarHBondContact O-N 2.94Å
57E97.9Very high97.4Very high178 Ų17863.8 Ų63.883%0.83232%0.315SS*.Hα-helixtrans-61.5-34.3177.6-60.8-173.216700113.1G55 G61G55-E57 PolarHBondContact O-N 3.48Å; G55-E57 VanDerWaalsContact O-N 3.11Å; E57-G61 WeakPolarHBondContact O-CA 3.43Å; E57-G61 PolarHBondContact O-N 2.89Å
58Y97.8Very high97.4Very high18 Ų1861.4 Ų61.47%0.07132%0.318CS..Hα-helixtrans-66.2-51.4173.1171.6-92.7000110.4I51 E54 G55 P56 D60 G61 E62 W166 Y170I51-Y58 HydrophobicContact CD1-CE1 4.19Å; I51-Y58 HydrophobicContact CG1-CE1 4.12Å; E54-Y58 HydrophobicContact CB-CD1 3.53Å; E54-Y58 HydrophobicContact CB-CD2 4.47Å; E54-Y58 HydrophobicContact CB-CE1 4.1Å; E54-Y58 HydrophobicContact CB-CG 3.75Å; E54-Y58 HydrophobicContact CG-CD1 4.11Å; E54-Y58 HydrophobicContact CG-CD2 4.47Å; E54-Y58 HydrophobicContact CG-CE1 4.27Å; E54-Y58 HydrophobicContact CG-CG 4.22Å; G55-Y58 WeakPolarHBondContact O-CB 3.2Å; G55-Y58 PolarHBondContact O-N 2.87Å; P56-Y58 VanDerWaalsContact C-N 3.28Å; P56-Y58 PolarHBondContact O-N 3.1Å; Y58-D60 PolarHBondContact O-N 2.92Å; Y58-G61 CarbonylContact O-C 3.57Å; Y58-G61 WeakPolarHBondContact O-CA 3.5Å; Y58-G61 PolarHBondContact O-N 2.95Å; Y58-G61 VanDerWaalsContact O-N 3.1Å; Y58-E62 HydrophobicContact CD1-CG 4.5Å; Y58-E62 HydrophobicContact CD2-CG 4.32Å; Y58-E62 HydrophobicContact CE1-CG 4.1Å; Y58-E62 HydrophobicContact CE2-CG 3.92Å; Y58-E62 PolarHBondContact O-N 2.78Å; Y58-W166 AromaticContact CD2-CH2 3.62Å; Y58-W166 HydrophobicContact CD2-CH2 3.62Å; Y58-W166 HydrophobicContact CD2-CZ2 4.41Å; Y58-W166 AromaticContact CD2-CZ3 3.77Å; Y58-W166 HydrophobicContact CD2-CZ3 3.77Å; Y58-W166 HydrophobicContact CE2-CE3 4.22Å; Y58-W166 AromaticContact CE2-CH2 3.94Å; Y58-W166 HydrophobicContact CE2-CH2 3.94Å; Y58-W166 AromaticContact CE2-CZ3 3.7Å; Y58-W166 HydrophobicContact CE2-CZ3 3.7Å; Y58-Y170 HydrophobicContact CE2-CE1 4.35Å; Y58-Y170 VanDerWaalsContact CE2-OH 3.31Å; Y58-Y170 WeakPolarHBondContact CE2-OH 3.38Å; Y58-Y170 PolarHBondContact OH-OH 3.04Å
59W98.4Very high97.5Very high40 Ų4063.6 Ų63.615%0.15233%0.327CS..Hα-helixtrans-65.5-40.3-176.6-66.3108.1000113.5V33 M44 P46 I51 E54 G55 P56 T63V33-W59 HydrophobicContact CG1-CH2 3.96Å; V33-W59 HydrophobicContact CG1-CZ3 3.86Å; M44-W59 HydrophobicContact CB-CE3 4.31Å; M44-W59 HydrophobicContact CG-CE3 4.34Å; M44-W59 HydrophobicContact CG-CZ3 4.09Å; P46-W59 HydrophobicContact CB-CH2 3.66Å; P46-W59 HydrophobicContact CB-CZ2 4.04Å; P46-W59 HydrophobicContact CG-CH2 4.26Å; P46-W59 HydrophobicContact CG-CZ2 4.47Å; I51-W59 HydrophobicContact CG1-CH2 3.85Å; I51-W59 HydrophobicContact CG1-CZ2 3.95Å; I51-W59 HydrophobicContact CG2-CH2 3.97Å; I51-W59 HydrophobicContact CG2-CZ2 4.27Å; I51-W59 WeakPolarHBondContact O-CZ2 3.33Å; E54-W59 VanDerWaalsContact O-CD1 3.25Å; E54-W59 PolarHBondContact O-NE1 3.26Å; G55-W59 PolarHBondContact O-N 3.43Å; P56-W59 PolarHBondContact O-N 3.22Å; W59-T63 WeakPolarHBondContact O-CB 3.45Å; W59-T63 PolarHBondContact O-N 3.11Å; W59-T63 PolarHBondContact O-OG1 3.04Å
60D98.3Very high97.6Very high75 Ų7559.6 Ų59.640%0.40130%0.302SS..Hα-helixtrans-71.7-31172-81.4-21.5000111.8R43 P56 Y58 R64R43-D60 IonicContact NH2-OD1 3.7Å; P56-D60 PolarHBondContact O-N 2.94Å; Y58-D60 PolarHBondContact O-N 2.92Å; D60-R64 VanDerWaalsContact O-CB 3.28Å; D60-R64 WeakPolarHBondContact O-CB 3.39Å; D60-R64 PolarHBondContact O-N 3.46Å
61G98.3Very high97.7Very high13 Ų1363.7 Ų63.713%0.13432%0.322CS..Hα-helixtrans-60.8-57171.400000112.7E57 Y58 R64 K65E57-G61 WeakPolarHBondContact O-CA 3.43Å; E57-G61 PolarHBondContact O-N 2.89Å; Y58-G61 CarbonylContact O-C 3.57Å; Y58-G61 WeakPolarHBondContact O-CA 3.5Å; Y58-G61 PolarHBondContact O-N 2.95Å; Y58-G61 VanDerWaalsContact O-N 3.1Å; G61-R64 WeakPolarHBondContact O-CB 3.23Å; G61-R64 PolarHBondContact O-N 3.47Å; G61-K65 WeakPolarHBondContact O-CG 3.2Å; G61-K65 PolarHBondContact O-N 3.45Å
62E98.3Very high97.7Very high18 Ų1866.5 Ų66.58%0.08434%0.339CS..Hα-helixtrans-65.8-38.7177.8-64.6-44.6122.400112M44 Y58 R64 K65 V66M44-E62 HydrophobicContact CB-CB 4.03Å; M44-E62 HydrophobicContact CE-CB 4.15Å; M44-E62 HydrophobicContact CG-CB 4.02Å; Y58-E62 HydrophobicContact CD1-CG 4.5Å; Y58-E62 HydrophobicContact CD2-CG 4.32Å; Y58-E62 HydrophobicContact CE1-CG 4.1Å; Y58-E62 HydrophobicContact CE2-CG 3.92Å; Y58-E62 PolarHBondContact O-N 2.78Å; E62-R64 VanDerWaalsContact C-N 3.27Å; E62-R64 PolarHBondContact O-N 3.3Å; E62-K65 PolarHBondContact O-N 2.81Å; E62-K65 WeakPolarHBondContact OE1-CD 3.49Å; E62-K65 WeakPolarHBondContact OE1-CE 3.32Å; E62-K65 IonicContact OE1-NZ 2.75Å; E62-K65 PolarHBondContact OE1-NZ 3.37Å; E62-K65 WeakPolarHBondContact OE2-CD 3.34Å; E62-K65 IonicContact OE2-NZ 3.86Å; E62-V66 WeakPolarHBondContact O-CB 3.2Å; E62-V66 VanDerWaalsContact O-CG1 3.27Å; E62-V66 WeakPolarHBondContact O-CG1 3.38Å; E62-V66 PolarHBondContact O-N 2.94Å
63T98.6Very high97.8Very high12 Ų1260.7 Ų60.77%0.07431%0.312CS..Hα-helixtrans-58.6-38.8172.5-64.60000111.8R43 M44 W59 V66 K67R43-T63 HydrophobicContact CG-CG2 4.01Å; M44-T63 PolarHBondContact N-OG1 2.82Å; W59-T63 WeakPolarHBondContact O-CB 3.45Å; W59-T63 PolarHBondContact O-N 3.11Å; W59-T63 PolarHBondContact O-OG1 3.04Å; T63-V66 WeakPolarHBondContact O-CG1 3.41Å; T63-K67 HydrophobicContact CG2-CD 4.28Å; T63-K67 WeakPolarHBondContact O-CB 3.45Å; T63-K67 WeakPolarHBondContact O-CG 3.18Å; T63-K67 PolarHBondContact O-N 2.89Å
64R98.4Very high97.9Very high172 Ų17259.7 Ų59.765%0.64930%0.302SS*.Hα-helixtrans-69.6-44.9176.5-167.4-177.1-59.8102.11.8111.8D60 G61 E62 A68D60-R64 VanDerWaalsContact O-CB 3.28Å; D60-R64 WeakPolarHBondContact O-CB 3.39Å; D60-R64 PolarHBondContact O-N 3.46Å; G61-R64 WeakPolarHBondContact O-CB 3.23Å; G61-R64 PolarHBondContact O-N 3.47Å; E62-R64 VanDerWaalsContact C-N 3.27Å; E62-R64 PolarHBondContact O-N 3.3Å; R64-A68 PolarHBondContact O-N 2.91Å
65K97.9Very high97.9Very high102 Ų10263.4 Ų63.444%0.44333%0.326SS..Hα-helixtrans-61.5-48.1177.6-68.7167.9-173.5173.10112G61 E62 K67 A68 H69G61-K65 WeakPolarHBondContact O-CG 3.2Å; G61-K65 PolarHBondContact O-N 3.45Å; E62-K65 PolarHBondContact O-N 2.81Å; E62-K65 WeakPolarHBondContact OE1-CD 3.49Å; E62-K65 WeakPolarHBondContact OE1-CE 3.32Å; E62-K65 IonicContact OE1-NZ 2.75Å; E62-K65 PolarHBondContact OE1-NZ 3.37Å; E62-K65 WeakPolarHBondContact OE2-CD 3.34Å; E62-K65 IonicContact OE2-NZ 3.86Å; K65-K67 PolarHBondContact O-N 3.48Å; K65-A68 WeakPolarHBondContact O-CB 3.35Å; K65-A68 PolarHBondContact O-N 2.98Å; K65-H69 PolarHBondContact O-CD2 2.79Å; K65-H69 PolarHBondContact O-N 2.96Å
66V98.3Very high98Very high2 Ų263.4 Ų63.41%0.01232%0.318CS..Hα-helixtrans-69.1-33.7-177.476.60000112.1F21 A23 F35 M44 E62 T63 H69 S70F21-V66 HydrophobicContact CE1-CG2 3.74Å; A23-V66 HydrophobicContact CB-CG2 3.64Å; F35-V66 HydrophobicContact CB-CG1 4.07Å; F35-V66 HydrophobicContact CB-CG2 3.75Å; F35-V66 HydrophobicContact CD1-CG1 4.39Å; F35-V66 HydrophobicContact CD1-CG2 3.99Å; F35-V66 HydrophobicContact CD2-CB 4.5Å; F35-V66 HydrophobicContact CD2-CG1 3.35Å; F35-V66 HydrophobicContact CD2-CG2 4.32Å; F35-V66 HydrophobicContact CE2-CG1 3.82Å; F35-V66 HydrophobicContact CG-CB 4.42Å; F35-V66 HydrophobicContact CG-CG1 3.69Å; F35-V66 HydrophobicContact CG-CG2 3.77Å; M44-V66 HydrophobicContact CE-CB 3.78Å; M44-V66 HydrophobicContact CE-CG1 4.07Å; M44-V66 HydrophobicContact CE-CG2 3.95Å; E62-V66 WeakPolarHBondContact O-CB 3.2Å; E62-V66 VanDerWaalsContact O-CG1 3.27Å; E62-V66 WeakPolarHBondContact O-CG1 3.38Å; E62-V66 PolarHBondContact O-N 2.94Å; T63-V66 WeakPolarHBondContact O-CG1 3.41Å; V66-H69 PolarHBondContact O-N 2.87Å; V66-S70 WeakPolarHBondContact O-CB 3.26Å; V66-S70 PolarHBondContact O-N 3.45Å
67K98.3Very high98Very high80 Ų8058.9 Ų58.935%0.34829%0.288SS..Hα-helixtrans-67-38.4170.4-76.7-176.2-179.9-179.50112.8F35 Q42 T63 K65 S70 Q71F35-K67 HydrophobicContact CE2-CG 4.09Å; F35-K67 HydrophobicContact CZ-CG 4.13Å; Q42-K67 WeakPolarHBondContact O-CE 3.42Å; Q42-K67 PolarHBondContact O-NZ 2.77Å; T63-K67 HydrophobicContact CG2-CD 4.28Å; T63-K67 WeakPolarHBondContact O-CB 3.45Å; T63-K67 WeakPolarHBondContact O-CG 3.18Å; T63-K67 PolarHBondContact O-N 2.89Å; K65-K67 PolarHBondContact O-N 3.48Å; K67-S70 WeakPolarHBondContact O-CB 3.13Å; K67-S70 PolarHBondContact O-N 2.83Å; K67-Q71 PolarHBondContact O-N 3.3Å
68A98.3Very high97.9Very high56 Ų5652.1 Ų52.146%0.46327%0.266SS..Hα-helixtrans-61.5-47.6172.700000111.2R64 K65 S70 Q71 T72R64-A68 PolarHBondContact O-N 2.91Å; K65-A68 WeakPolarHBondContact O-CB 3.35Å; K65-A68 PolarHBondContact O-N 2.98Å; A68-S70 VanDerWaalsContact C-N 3.33Å; A68-S70 PolarHBondContact O-N 3.13Å; A68-Q71 PolarHBondContact O-N 2.88Å; A68-Q71 VanDerWaalsContact O-N 3.09Å; A68-T72 PolarHBondContact O-N 3.24Å; A68-T72 PolarHBondContact O-OG1 3.1Å; A68-T72 VanDerWaalsContact O-OG1 3.12Å
69H97.8Very high97.9Very high52 Ų5253.8 Ų53.824%0.24128%0.278CS..Hα-helixtrans-63.1-34.4176.1-72.6-45.4000113.7F8 F21 K65 V66 Q71 T72 H73 R96F8-H69 HydrophobicContact CD2-CB 4.11Å; F8-H69 HydrophobicContact CE2-CB 3.74Å; F8-H69 AromaticContact CE2-CD2 3.42Å; F8-H69 VanDerWaalsContact CE2-CD2 3.42Å; F8-H69 WeakPolarHBondContact CE2-CD2 3.35Å; F8-H69 AromaticContact CE2-CG 3.63Å; F8-H69 AromaticContact CZ-CD2 3.92Å; F21-H69 HydrophobicContact CZ-CB 4.22Å; K65-H69 PolarHBondContact O-CD2 2.79Å; K65-H69 PolarHBondContact O-N 2.96Å; V66-H69 PolarHBondContact O-N 2.87Å; H69-Q71 VanDerWaalsContact C-N 3.32Å; H69-Q71 PolarHBondContact O-N 3.31Å; H69-T72 PolarHBondContact O-N 3.08Å; H69-H73 PolarHBondContact O-CD2 3.37Å; H69-H73 VanDerWaalsContact O-CD2 3.25Å; H69-H73 PolarHBondContact O-N 3.14Å; H69-R96 PolarHBondContact CE1-NH1 2.89Å; H69-R96 VanDerWaalsContact CE1-NH1 3.34Å; H69-R96 PolarHBondContact NE2-NH1 2.86Å
70S98Very high97.9Very high17 Ų1752.3 Ų52.312%0.11927%0.273CS..Hα-helixtrans-59.7-40.7171.2175.80000112.2F21 V66 K67 A68 R74F21-S70 WeakPolarHBondContact CB-OG 3.32Å; V66-S70 WeakPolarHBondContact O-CB 3.26Å; V66-S70 PolarHBondContact O-N 3.45Å; K67-S70 WeakPolarHBondContact O-CB 3.13Å; K67-S70 PolarHBondContact O-N 2.83Å; A68-S70 VanDerWaalsContact C-N 3.33Å; A68-S70 PolarHBondContact O-N 3.13Å; S70-R74 PolarHBondContact O-N 3.45Å; S70-R74 VanDerWaalsContact O-N 3.13Å
71Q97.8Very high97.8Very high100 Ų10052 Ų5247%0.46727%0.266SS..Hα-helixtrans-72.3-34.1173.7-60.1-51.8-49.600112.8K67 A68 H69 R74 V75K67-Q71 PolarHBondContact O-N 3.3Å; A68-Q71 PolarHBondContact O-N 2.88Å; A68-Q71 VanDerWaalsContact O-N 3.09Å; H69-Q71 VanDerWaalsContact C-N 3.32Å; H69-Q71 PolarHBondContact O-N 3.31Å; Q71-R74 WeakPolarHBondContact O-CB 2.99Å; Q71-R74 PolarHBondContact O-N 2.8Å; Q71-V75 PolarHBondContact O-N 3.24Å
72T97.6Very high97.7Very high59 Ų5953.4 Ų53.436%0.36228%0.281SS..Hα-helixtrans-59.4-54.5171.6-45.70000110.6A68 H69 R74 V75 D76A68-T72 PolarHBondContact O-N 3.24Å; A68-T72 PolarHBondContact O-OG1 3.1Å; A68-T72 VanDerWaalsContact O-OG1 3.12Å; H69-T72 PolarHBondContact O-N 3.08Å; T72-R74 PolarHBondContact O-N 2.83Å; T72-R74 VanDerWaalsContact O-N 3.16Å; T72-V75 WeakPolarHBondContact O-CA 2.96Å; T72-V75 WeakPolarHBondContact O-CB 3.45Å; T72-V75 PolarHBondContact O-N 2.92Å; T72-D76 PolarHBondContact O-N 3.23Å
73H97.9Very high97.7Very high0 Ų055.5 Ų55.50%029%0.289CS..Hα-helixtrans-62.2-27-179.6-79.8-126000113.3F8 F21 H69 D76 L77F8-H73 AromaticContact CD2-NE2 3.82Å; F21-H73 HydrophobicContact CD2-CB 4Å; F21-H73 HydrophobicContact CE2-CB 3.98Å; F21-H73 AromaticContact CE2-CD2 3.82Å; F21-H73 AromaticContact CE2-CG 3.65Å; F21-H73 AromaticContact CE2-ND1 3.86Å; H69-H73 PolarHBondContact O-CD2 3.37Å; H69-H73 VanDerWaalsContact O-CD2 3.25Å; H69-H73 PolarHBondContact O-N 3.14Å; H73-D76 WeakPolarHBondContact CA-OD2 3.47Å; H73-L77 WeakPolarHBondContact O-CB 3.33Å; H73-L77 WeakPolarHBondContact O-CG 3.39Å; H73-L77 PolarHBondContact O-N 2.57Å
74R97.3Very high97.6Very high107 Ų10758.3 Ų58.340%0.40430%0.298SS..Hα-helixtrans-64-44.8170172.6-161.9173.2137.322.3111.6E18 P19 S70 Q71 T72 G78E18-R74 VanDerWaalsContact CD-NH2 3.32Å; E18-R74 IonicContact OE1-CZ 2.68Å; E18-R74 IonicContact OE1-NH1 2.73Å; E18-R74 PolarHBondContact OE1-NH1 2.88Å; E18-R74 IonicContact OE1-NH2 3.91Å; E18-R74 PolarHBondContact OE1-NH2 2.9Å; E18-R74 IonicContact OE2-CZ 2.81Å; E18-R74 IonicContact OE2-NE 3.65Å; E18-R74 PolarHBondContact OE2-NE 3.23Å; E18-R74 IonicContact OE2-NH1 3.41Å; E18-R74 PolarHBondContact OE2-NH1 2.65Å; E18-R74 VanDerWaalsContact OE2-NH1 3.17Å; E18-R74 IonicContact OE2-NH2 3.32Å; E18-R74 PolarHBondContact OE2-NH2 2.95Å; E18-R74 VanDerWaalsContact OE2-NH2 3.13Å; P19-R74 HydrophobicContact CG-CG 4.45Å; S70-R74 PolarHBondContact O-N 3.45Å; S70-R74 VanDerWaalsContact O-N 3.13Å; Q71-R74 WeakPolarHBondContact O-CB 2.99Å; Q71-R74 PolarHBondContact O-N 2.8Å; T72-R74 PolarHBondContact O-N 2.83Å; T72-R74 VanDerWaalsContact O-N 3.16Å; R74-G78 PolarHBondContact O-N 2.85Å
75V97.4Very high97.5Very high91 Ų9157.2 Ų57.255%0.55231%0.305SS*.Hα-helixtrans-69.6-39.4177175.70000110.9Q71 T72 G78 T79Q71-V75 PolarHBondContact O-N 3.24Å; T72-V75 WeakPolarHBondContact O-CA 2.96Å; T72-V75 WeakPolarHBondContact O-CB 3.45Å; T72-V75 PolarHBondContact O-N 2.92Å; V75-G78 PolarHBondContact O-N 2.79Å; V75-T79 WeakPolarHBondContact O-CB 3.33Å; V75-T79 PolarHBondContact O-N 3.08Å; V75-T79 PolarHBondContact O-OG1 2.94Å; V75-T79 VanDerWaalsContact O-OG1 3.05Å
76D97.7Very high97.5Very high36 Ų3655.2 Ų55.219%0.19330%0.298CS..Hα-helixtrans-60.2-46.8176.6-60.1-31.5000111.1T72 H73 G78 T79 L80 V94T72-D76 PolarHBondContact O-N 3.23Å; H73-D76 WeakPolarHBondContact CA-OD2 3.47Å; D76-G78 VanDerWaalsContact C-N 3.28Å; D76-G78 PolarHBondContact O-N 2.94Å; D76-T79 PolarHBondContact O-N 3.03Å; D76-T79 VanDerWaalsContact O-N 3.12Å; D76-L80 HydrophobicContact CB-CD1 4.31Å; D76-L80 WeakPolarHBondContact O-CB 3.45Å; D76-L80 VanDerWaalsContact O-CG 3.25Å; D76-L80 WeakPolarHBondContact O-CG 3.44Å; D76-L80 PolarHBondContact O-N 2.88Å; D76-V94 HydrophobicContact CB-CG1 4.48Å; D76-V94 HydrophobicContact CB-CG2 4.44Å
77L97.9Very high97.3Very high8 Ų859 Ų594%0.04232%0.324CS..Hα-helixtrans-53.7-42.4175.3-84.4165.8000112.6S10 P19 H73 R81 H92 V94 Y117S10-L77 WeakPolarHBondContact OG-CD1 3.33Å; P19-L77 HydrophobicContact CB-CD1 3.62Å; P19-L77 HydrophobicContact CG-CD1 3.7Å; H73-L77 WeakPolarHBondContact O-CB 3.33Å; H73-L77 WeakPolarHBondContact O-CG 3.39Å; H73-L77 PolarHBondContact O-N 2.57Å; L77-R81 VanDerWaalsContact O-CB 3.23Å; L77-R81 WeakPolarHBondContact O-CB 3.32Å; L77-R81 PolarHBondContact O-N 2.03Å; L77-H92 HydrophobicContact CD2-CB 3.94Å; L77-H92 WeakPolarHBondContact CD2-O 3.39Å; L77-V94 HydrophobicContact CD2-CB 4.39Å; L77-V94 HydrophobicContact CD2-CG2 3.69Å; L77-V94 HydrophobicContact CG-CB 4.34Å; L77-V94 HydrophobicContact CG-CG2 3.74Å; L77-Y117 HydrophobicContact CD2-CE2 4.36Å
78G96Very high96.9Very high36 Ų3661.7 Ų61.737%0.37134%0.338SS..Hα-helixtrans-71.5-38.6177.600000113.2R74 V75 D76 G82R74-G78 PolarHBondContact O-N 2.85Å; V75-G78 PolarHBondContact O-N 2.79Å; D76-G78 VanDerWaalsContact C-N 3.28Å; D76-G78 PolarHBondContact O-N 2.94Å; G78-G82 PolarHBondContact O-N 2.94Å
79T97.2Very high96.6Very high54 Ų5463.2 Ų63.233%0.33135%0.351SS..Hα-helixtrans-71.5-44.7-178.4-66.10000111.9V75 D76 G82 Y83V75-T79 WeakPolarHBondContact O-CB 3.33Å; V75-T79 PolarHBondContact O-N 3.08Å; V75-T79 PolarHBondContact O-OG1 2.94Å; V75-T79 VanDerWaalsContact O-OG1 3.05Å; D76-T79 PolarHBondContact O-N 3.03Å; D76-T79 VanDerWaalsContact O-N 3.12Å; T79-G82 WeakPolarHBondContact O-CA 3.45Å; T79-G82 PolarHBondContact O-N 2.83Å; T79-Y83 HydrophobicContact CG2-CD1 4.42Å; T79-Y83 HydrophobicContact CG2-CD2 4.36Å; T79-Y83 HydrophobicContact CG2-CE1 3.81Å; T79-Y83 HydrophobicContact CG2-CE2 3.75Å; T79-Y83 VanDerWaalsContact CG2-CZ 3.44Å; T79-Y83 PolarHBondContact O-N 3.01Å
80L97.9Very high96.4Very high8 Ų861.6 Ų61.64%0.04235%0.348CS..Hα-helixtrans-65.6-46.8178.5-67.1165.4000111D76 G82 Y83 Y84 V94 Y117 Y122D76-L80 HydrophobicContact CB-CD1 4.31Å; D76-L80 WeakPolarHBondContact O-CB 3.45Å; D76-L80 VanDerWaalsContact O-CG 3.25Å; D76-L80 WeakPolarHBondContact O-CG 3.44Å; D76-L80 PolarHBondContact O-N 2.88Å; L80-G82 PolarHBondContact O-N 3.29Å; L80-G82 VanDerWaalsContact O-N 3.15Å; L80-Y83 HydrophobicContact CD2-CD2 4.24Å; L80-Y83 PolarHBondContact O-N 2.95Å; L80-Y84 HydrophobicContact CD2-CE2 4.39Å; L80-Y84 VanDerWaalsContact O-CD2 3.23Å; L80-Y84 WeakPolarHBondContact O-CD2 3.19Å; L80-Y84 PolarHBondContact O-N 2.88Å; L80-V94 HydrophobicContact CD1-CG2 3.56Å; L80-Y117 HydrophobicContact CB-CD1 4.23Å; L80-Y117 HydrophobicContact CB-CD2 4.1Å; L80-Y117 HydrophobicContact CB-CE1 3.88Å; L80-Y117 HydrophobicContact CB-CE2 3.75Å; L80-Y117 HydrophobicContact CB-CG 4.32Å; L80-Y117 HydrophobicContact CD1-CD2 3.67Å; L80-Y117 HydrophobicContact CD1-CE2 4.01Å; L80-Y117 HydrophobicContact CD1-CG 4.08Å; L80-Y117 HydrophobicContact CG-CD2 4.47Å; L80-Y122 HydrophobicContact CD2-CD1 4.19Å; L80-Y122 HydrophobicContact CD2-CD2 4.16Å; L80-Y122 HydrophobicContact CD2-CE1 3.58Å; L80-Y122 HydrophobicContact CD2-CE2 3.55Å; L80-Y122 HydrophobicContact CD2-CG 4.46Å; L80-Y122 WeakPolarHBondContact CD2-OH 3.49Å
81R96.7Very high96.3Very high69 Ų6964.7 Ų64.726%0.2637%0.369SS..Hα-helixtrans-52.8-37.7172.4-172.5-167.167.8166.710.9111.7L77 N85 Q86 E88 Y117L77-R81 VanDerWaalsContact O-CB 3.23Å; L77-R81 WeakPolarHBondContact O-CB 3.32Å; L77-R81 PolarHBondContact O-N 2.03Å; R81-N85 PolarHBondContact O-N 2.81Å; R81-Q86 HydrophobicContact CG-CB 3.79Å; R81-Q86 WeakPolarHBondContact CG-O 3.13Å; R81-Q86 PolarHBondContact O-N 2.82Å; R81-E88 IonicContact CZ-OE1 2.69Å; R81-E88 IonicContact NH1-OE1 3.32Å; R81-E88 PolarHBondContact NH1-OE1 3.17Å; R81-E88 IonicContact NH2-OE1 2.63Å; R81-E88 PolarHBondContact NH2-OE1 2.74Å; R81-Y117 PolarHBondContact N-OH 2.73Å
82G96.6Very high96.3Very high43 Ų4360.5 Ų60.544%0.44335%0.35SS..Hα-helixtrans-65.7-51.9172.200000113.5G78 T79 L80 Y84 N85G78-G82 PolarHBondContact O-N 2.94Å; T79-G82 WeakPolarHBondContact O-CA 3.45Å; T79-G82 PolarHBondContact O-N 2.83Å; L80-G82 PolarHBondContact O-N 3.29Å; L80-G82 VanDerWaalsContact O-N 3.15Å; G82-Y84 VanDerWaalsContact C-N 3.27Å; G82-Y84 PolarHBondContact O-N 2.62Å; G82-N85 PolarHBondContact O-N 3.42Å
83Y97.5Very high96.4Very high62 Ų6259.3 Ų59.324%0.24334%0.343CS..Hα-helixtrans-58.9-36.5178.8-64.1-18.6000113.1T79 L80 A138 T141 K145T79-Y83 HydrophobicContact CG2-CD1 4.42Å; T79-Y83 HydrophobicContact CG2-CD2 4.36Å; T79-Y83 HydrophobicContact CG2-CE1 3.81Å; T79-Y83 HydrophobicContact CG2-CE2 3.75Å; T79-Y83 VanDerWaalsContact CG2-CZ 3.44Å; T79-Y83 PolarHBondContact O-N 3.01Å; L80-Y83 HydrophobicContact CD2-CD2 4.24Å; L80-Y83 PolarHBondContact O-N 2.95Å; Y83-A138 HydrophobicContact CD2-CB 4.41Å; Y83-T141 HydrophobicContact CE1-CG2 4.05Å; Y83-T141 HydrophobicContact CE2-CG2 4.32Å; Y83-K145 PolarHBondContact OH-NZ 2.84Å
84Y97.5Very high96.4Very high70 Ų7059.4 Ų59.428%0.27534%0.343SS..THydrogen-bonded Turntrans-882.4178.1-68.8-70.8000114L80 G82 Q86 Y117 Y122 D136 A138L80-Y84 HydrophobicContact CD2-CE2 4.39Å; L80-Y84 VanDerWaalsContact O-CD2 3.23Å; L80-Y84 WeakPolarHBondContact O-CD2 3.19Å; L80-Y84 PolarHBondContact O-N 2.88Å; G82-Y84 VanDerWaalsContact C-N 3.27Å; G82-Y84 PolarHBondContact O-N 2.62Å; Y84-Q86 PolarHBondContact O-N 3.35Å; Y84-Y117 AromaticContact CD2-CD1 3.64Å; Y84-Y117 HydrophobicContact CD2-CD1 3.64Å; Y84-Y117 AromaticContact CD2-CE1 3.46Å; Y84-Y117 HydrophobicContact CD2-CE1 3.46Å; Y84-Y117 VanDerWaalsContact CD2-CE1 3.46Å; Y84-Y117 AromaticContact CE2-CD1 3.44Å; Y84-Y117 HydrophobicContact CE2-CD1 3.44Å; Y84-Y117 VanDerWaalsContact CE2-CD1 3.44Å; Y84-Y117 AromaticContact CE2-CE1 3.79Å; Y84-Y117 HydrophobicContact CE2-CE1 3.79Å; Y84-Y117 HydrophobicContact CE2-CG 4.44Å; Y84-Y117 HydrophobicContact CG-CE1 4.4Å; Y84-Y122 HydrophobicContact CE2-CD2 4.41Å; Y84-Y122 HydrophobicContact CE2-CE2 4.2Å; Y84-Y122 VanDerWaalsContact OH-CD2 3.29Å; Y84-Y122 WeakPolarHBondContact OH-CD2 3.46Å; Y84-Y122 WeakPolarHBondContact OH-CE2 3.36Å; Y84-D136 VanDerWaalsContact CE1-OD2 3.23Å; Y84-D136 WeakPolarHBondContact CE1-OD2 3.35Å; Y84-D136 VanDerWaalsContact OH-CG 3.3Å; Y84-D136 PolarHBondContact OH-OD1 3.31Å; Y84-D136 PolarHBondContact OH-OD2 3.19Å; Y84-A138 HydrophobicContact CD1-CB 4.2Å; Y84-A138 HydrophobicContact CE1-CB 3.68Å; Y84-A138 HydrophobicContact CE2-CB 4.02Å
85N96.4Very high96.5Very high150 Ų15058 Ų5880%0.80234%0.341SS*.THydrogen-bonded Turntrans53.936.1-178.5-56.9-82.9000113.8R81 G82R81-N85 PolarHBondContact O-N 2.81Å; G82-N85 PolarHBondContact O-N 3.42Å
86Q96.8Very high96.6Very high60 Ų6054.6 Ų54.628%0.2832%0.318SS..  trans-85149.7-175.7-70.6164.4-46.500112.4R81 Y84 H92 Y117 D118R81-Q86 HydrophobicContact CG-CB 3.79Å; R81-Q86 WeakPolarHBondContact CG-O 3.13Å; R81-Q86 PolarHBondContact O-N 2.82Å; Y84-Q86 PolarHBondContact O-N 3.35Å; Q86-H92 PolarHBondContact NE2-CE1 3.13Å; Q86-H92 VanDerWaalsContact NE2-CE1 3.25Å; Q86-H92 PolarHBondContact OE1-CE1 2.37Å; Q86-Y117 PolarHBondContact OE1-OH 2.89Å; Q86-D118 PolarHBondContact NE2-OD2 3.18Å; Q86-D118 VanDerWaalsContact NE2-OD2 3.16Å
87S94.5Very high96.6Very high81 Ų8154 Ų5457%0.56631%0.314SS*.  trans-70.1147.5-177.465.20000113.5A89 G90S87-A89 PolarHBondContact O-N 2.96Å; S87-A89 VanDerWaalsContact O-N 3.16Å; S87-G90 PolarHBondContact O-N 2.84Å
88E90.6Very high96.6Very high137 Ų13754.4 Ų54.464%0.6432%0.316SS*.THydrogen-bonded Turntrans-62.9-22.7177.7-58.6-140.599.500115.1P14 R81 G90P14-E88 WeakPolarHBondContact CG-O 3.39Å; R81-E88 IonicContact CZ-OE1 2.69Å; R81-E88 IonicContact NH1-OE1 3.32Å; R81-E88 PolarHBondContact NH1-OE1 3.17Å; R81-E88 IonicContact NH2-OE1 2.63Å; R81-E88 PolarHBondContact NH2-OE1 2.74Å; E88-G90 PolarHBondContact O-N 3.42Å
89A91.7Very high96.8Very high88 Ų8852.7 Ų52.773%0.72730%0.298SS*.THydrogen-bonded Turntrans-74.4-8.8175.800000113.7S87S87-A89 PolarHBondContact O-N 2.96Å; S87-A89 VanDerWaalsContact O-N 3.16Å
90G93Very high96.8Very high18 Ų1850.1 Ų50.119%0.18628%0.282CS..  trans-74.4129.7-179.400000113.1S12 P14 S87 E88 H92S12-G90 PolarHBondContact OG-O 2.81Å; P14-G90 WeakPolarHBondContact CG-O 3.07Å; S87-G90 PolarHBondContact O-N 2.84Å; E88-G90 PolarHBondContact O-N 3.42Å; G90-H92 PolarHBondContact O-CD2 3Å
91S97.1Very high96.8Very high81 Ų8151 Ų5157%0.56629%0.287SS*.  trans-80.5120.1163.8-173.30000108.1S12S12-S91 PolarHBondContact O-OG 2.84Å
92H98.2Very high96.9Very high13 Ų1347.7 Ų47.76%0.0627%0.274CS..  trans-123.9153.4-174.8-66.1-71.8000110.8V11 S12 L77 Q86 G90 Y117 D118V11-H92 CarbonylContact C-O 3.56Å; V11-H92 WeakPolarHBondContact CA-O 3.49Å; S12-H92 PolarHBondContact N-O 2.91Å; S12-H92 PolarHBondContact OG-N 3.02Å; L77-H92 HydrophobicContact CD2-CB 3.94Å; L77-H92 WeakPolarHBondContact CD2-O 3.39Å; Q86-H92 PolarHBondContact NE2-CE1 3.13Å; Q86-H92 VanDerWaalsContact NE2-CE1 3.25Å; Q86-H92 PolarHBondContact OE1-CE1 2.37Å; G90-H92 PolarHBondContact O-CD2 3Å; H92-Y117 HydrophobicContact CB-CE2 4Å; H92-Y117 PolarHBondContact ND1-OH 2.96Å; H92-D118 WeakPolarHBondContact CA-OD1 3.4Å; H92-D118 WeakPolarHBondContact CB-OD1 3.48Å; H92-D118 IonicContact CE1-OD2 3.12Å; H92-D118 IonicContact CG-OD1 3.69Å; H92-D118 IonicContact CG-OD2 2.75Å; H92-D118 IonicContact ND1-OD1 3.15Å; H92-D118 IonicContact ND1-OD2 2.72Å; H92-D118 PolarHBondContact ND1-OD2 3.2Å
93T98.6Very high96.8Very high34 Ų3446 Ų4621%0.20926%0.258CS..EExtended strand (participates in β ladder)trans-128.7124.5-175.1-54.40000111.7T9 S10 V11 Q95 Y117 D118T9-T93 HydrophobicContact CG2-CG2 3.92Å; S10-T93 CarbonylContact O-C 3.58Å; S10-T93 WeakPolarHBondContact O-CA 3.45Å; V11-T93 HydrophobicContact CG2-CG2 4.11Å; T93-Q95 HydrophobicContact CG2-CG 3.98Å; T93-Y117 WeakPolarHBondContact O-CA 3.43Å; T93-Y117 VanDerWaalsContact O-CD2 3.28Å; T93-Y117 WeakPolarHBondContact O-CD2 3.49Å; T93-D118 PolarHBondContact N-OD1 3.11Å; T93-D118 PolarHBondContact O-N 2.98Å
94V98.7Very high96.4Very high1 Ų148.8 Ų48.81%0.00629%0.286CS..EExtended strand (participates in β ladder)trans-107.6118.4169.6175.30000109.1S10 D76 L77 L80 Y115 Y117S10-V94 PolarHBondContact N-O 3.46Å; S10-V94 PolarHBondContact O-N 2.8Å; D76-V94 HydrophobicContact CB-CG1 4.48Å; D76-V94 HydrophobicContact CB-CG2 4.44Å; L77-V94 HydrophobicContact CD2-CB 4.39Å; L77-V94 HydrophobicContact CD2-CG2 3.69Å; L77-V94 HydrophobicContact CG-CB 4.34Å; L77-V94 HydrophobicContact CG-CG2 3.74Å; L80-V94 HydrophobicContact CD1-CG2 3.56Å; V94-Y115 HydrophobicContact CG1-CD1 3.96Å; V94-Y115 HydrophobicContact CG1-CE1 4.3Å; V94-Y117 HydrophobicContact CG2-CD2 3.67Å; V94-Y117 HydrophobicContact CG2-CE2 3.91Å
95Q98.8Very high96.1Very high77 Ų7749.5 Ų49.536%0.3629%0.294SS..EExtended strand (participates in β ladder)trans-109.6146173.7-63.2174.3-86.100110.1F8 T9 T93 Y115 A116F8-Q95 CarbonylContact O-C 3.59Å; F8-Q95 VanDerWaalsContact O-CA 3.31Å; F8-Q95 WeakPolarHBondContact O-CA 3.34Å; T9-Q95 HydrophobicContact CG2-CG 4.06Å; T93-Q95 HydrophobicContact CG2-CG 3.98Å; Q95-Y115 CarbonylContact O-C 3.59Å; Q95-Y115 VanDerWaalsContact O-CA 3.24Å; Q95-Y115 WeakPolarHBondContact O-CA 3.36Å; Q95-A116 HydrophobicContact CB-CB 4.32Å; Q95-A116 PolarHBondContact N-O 3.41Å; Q95-A116 PolarHBondContact O-N 2.79Å
96R98.6Very high95.8Very high20 Ų2046.8 Ų46.88%0.07527%0.273CS..EExtended strand (participates in β ladder)trans-136.2133.2173.2-179.6-168.3-175.9-151.3-1.4109.1F7 F8 H69 Y98 H113 Q114 Y115F7-R96 WeakPolarHBondContact CA-O 3.34Å; F8-R96 HydrophobicContact CB-CB 4.35Å; F8-R96 PolarHBondContact N-O 3.15Å; F8-R96 PolarHBondContact O-N 2.73Å; H69-R96 PolarHBondContact CE1-NH1 2.89Å; H69-R96 VanDerWaalsContact CE1-NH1 3.34Å; H69-R96 PolarHBondContact NE2-NH1 2.86Å; R96-Y98 HydrophobicContact CG-CD1 4.31Å; R96-Y98 VanDerWaalsContact CZ-CD1 3.5Å; R96-H113 PolarHBondContact NE-NE2 2.94Å; R96-H113 PolarHBondContact NH2-CD2 3.21Å; R96-H113 VanDerWaalsContact NH2-CD2 3.33Å; R96-H113 PolarHBondContact NH2-NE2 2.98Å; R96-Q114 CarbonylContact C-O 3.56Å; R96-Q114 WeakPolarHBondContact CA-O 3.45Å; R96-Y115 HydrophobicContact CB-CD1 4.03Å; R96-Y115 HydrophobicContact CB-CD2 4.41Å; R96-Y115 HydrophobicContact CB-CE1 3.95Å; R96-Y115 HydrophobicContact CB-CE2 4.32Å; R96-Y115 HydrophobicContact CB-CG 4.29Å; R96-Y115 VanDerWaalsContact CD-CZ 3.48Å; R96-Y115 WeakPolarHBondContact CD-OH 3.27Å; R96-Y115 HydrophobicContact CG-CD1 4.38Å; R96-Y115 HydrophobicContact CG-CD2 3.96Å; R96-Y115 HydrophobicContact CG-CE1 4.1Å; R96-Y115 HydrophobicContact CG-CE2 3.62Å; R96-Y115 HydrophobicContact CG-CG 4.34Å; R96-Y115 PolarHBondContact NE-OH 3.32Å
97M98.6Very high95.7Very high24 Ų2452.2 Ų52.212%0.11829%0.291CS..EExtended strand (participates in β ladder)trans-119133.3165.2-170.4-79.5-75.100108.9Y6 F7 Y112 H113 Q114Y6-M97 WeakPolarHBondContact O-CA 3.39Å; F7-M97 HydrophobicContact CD1-CB 4.02Å; F7-M97 HydrophobicContact CD1-CG 3.56Å; F7-M97 HydrophobicContact CE1-CB 4.25Å; F7-M97 HydrophobicContact CE1-CG 3.4Å; F7-M97 HydrophobicContact CG-CG 4.31Å; F7-M97 HydrophobicContact CZ-CG 4.02Å; M97-Y112 HydrophobicContact CE-CD1 3.85Å; M97-Y112 HydrophobicContact CE-CG 3.97Å; M97-H113 WeakPolarHBondContact O-CA 3.39Å; M97-Q114 HydrophobicContact CB-CG 4.11Å; M97-Q114 HydrophobicContact CE-CG 4.27Å; M97-Q114 PolarHBondContact N-O 2.81Å; M97-Q114 PolarHBondContact O-N 2.89Å
98Y98.6Very high95.9Very high17 Ų1751.1 Ų51.17%0.06728%0.276CS..EExtended strand (participates in β ladder)trans-146.3156.7169.271.8-84.2000111.1Y6 F8 R96 Y112 Y158Y6-Y98 HydrophobicContact CD2-CD2 4.37Å; Y6-Y98 AromaticContact CD2-CE2 3.61Å; Y6-Y98 HydrophobicContact CD2-CE2 3.61Å; Y6-Y98 AromaticContact CD2-CZ 3.72Å; Y6-Y98 HydrophobicContact CE2-CE2 4.33Å; Y6-Y98 HydrophobicContact CG-CE1 4.29Å; Y6-Y98 HydrophobicContact CG-CE2 4.14Å; Y6-Y98 AromaticContact CG-CZ 3.76Å; Y6-Y98 PolarHBondContact N-O 3.35Å; Y6-Y98 PolarHBondContact O-N 2.73Å; Y6-Y98 VanDerWaalsContact O-N 3.09Å; F8-Y98 HydrophobicContact CD2-CE1 4.28Å; F8-Y98 HydrophobicContact CE1-CE1 4.11Å; F8-Y98 AromaticContact CE2-CE1 3.65Å; F8-Y98 HydrophobicContact CE2-CE1 3.65Å; F8-Y98 AromaticContact CZ-CE1 3.56Å; F8-Y98 HydrophobicContact CZ-CE1 3.56Å; F8-Y98 AromaticContact CZ-CZ 3.92Å; F8-Y98 WeakPolarHBondContact CZ-OH 3.34Å; R96-Y98 HydrophobicContact CG-CD1 4.31Å; R96-Y98 VanDerWaalsContact CZ-CD1 3.5Å; Y98-Y112 WeakPolarHBondContact CA-O 3.16Å; Y98-Y112 VanDerWaalsContact CB-O 3.3Å; Y98-Y112 WeakPolarHBondContact CB-O 3.36Å; Y98-Y158 AromaticContact CD2-CE1 3.93Å; Y98-Y158 HydrophobicContact CD2-CE1 3.93Å; Y98-Y158 AromaticContact CE2-CE1 3.83Å; Y98-Y158 HydrophobicContact CE2-CE1 3.83Å
99G98.5Very high96.2Very high0 Ų049.6 Ų49.60%027%0.271CS..EExtended strand (participates in β ladder)trans163.3179-175.500000113.6M4 G111 Y112 L159M4-G99 CarbonylContact O-C 3.59Å; M4-G99 WeakPolarHBondContact O-CA 3.47Å; G99-G111 CarbonylContact O-C 3.6Å; G99-G111 WeakPolarHBondContact O-CA 3.45Å; G99-Y112 PolarHBondContact N-O 2.84Å; G99-Y112 VanDerWaalsContact N-O 3.08Å; G99-Y112 PolarHBondContact O-N 3.11Å; G99-L159 VanDerWaalsContact O-CD2 3.24Å; G99-L159 WeakPolarHBondContact O-CD2 3.43Å
100C98.6Very high96.5Very high0 Ų049.6 Ų49.60%025%0.253CS..EExtended strand (participates in β ladder)trans-137152.7-177.756.30000111.4S3 M4 F108 R110 C163S3-C100 WeakPolarHBondContact CA-O 3.46Å; M4-C100 PolarHBondContact N-O 3.4Å; M4-C100 PolarHBondContact O-N 2.99Å; C100-F108 HydrophobicContact CB-CD2 4.36Å; C100-F108 HydrophobicContact CB-CE2 4.05Å; C100-R110 CarbonylContact C-O 3.55Å; C100-R110 WeakPolarHBondContact CA-O 3.29Å; C100-C163 HydrophobicContact CB-CB 3.87Å; C100-C163 WeakPolarHBondContact CB-SG 3.33Å; C100-C163 PolarHBondContact N-SG 2.81Å; C100-C163 VanDerWaalsContact N-SG 3.37Å; C100-C163 WeakPolarHBondContact SG-CB 3.33Å; C100-C163 CovalentContact SG-SG 2.03Å; C100-C163 PolarHBondContact SG-SG 3.01Å
101D98.1Very high96.7Very high25 Ų2549 Ų4913%0.13425%0.247CC..EExtended strand (participates in β ladder)trans-119.5143.6177-60.6-0.5000110Q2 S3 R5 L109 R110 Y112Q2-D101 CarbonylContact O-C 3.57Å; Q2-D101 WeakPolarHBondContact O-CA 3.48Å; S3-D101 VanDerWaalsContact CB-OD1 3.24Å; S3-D101 WeakPolarHBondContact CB-OD1 3.31Å; R5-D101 IonicContact CZ-OD1 3.8Å; R5-D101 VanDerWaalsContact CZ-OD1 3.23Å; R5-D101 IonicContact CZ-OD2 3.78Å; R5-D101 IonicContact NE-OD1 3.68Å; R5-D101 PolarHBondContact NE-OD1 3.35Å; R5-D101 IonicContact NH2-OD1 2.89Å; R5-D101 PolarHBondContact NH2-OD1 3.22Å; R5-D101 IonicContact NH2-OD2 3.44Å; R5-D101 PolarHBondContact NH2-OD2 3.43Å; D101-L109 PolarHBondContact O-N 3.26Å; D101-R110 HydrophobicContact CB-CB 4.4Å; D101-R110 PolarHBondContact N-O 3.05Å; D101-R110 PolarHBondContact O-N 3.28Å; D101-Y112 WeakPolarHBondContact OD2-CE2 3.42Å; D101-Y112 PolarHBondContact OD2-OH 3.17Å
102V97.1Very high96.8Very high0 Ų047.3 Ų47.30%023%0.228CC..EExtended strand (participates in β ladder)trans-126.2150179.9-61.60000113S1 Q2 W106 R107 V164 L167S1-V102 VanDerWaalsContact CB-O 3.28Å; S1-V102 WeakPolarHBondContact CB-O 3.47Å; Q2-V102 HydrophobicContact CB-CG2 3.94Å; Q2-V102 PolarHBondContact N-O 3.11Å; Q2-V102 VanDerWaalsContact N-O 3.1Å; Q2-V102 PolarHBondContact O-N 3.4Å; V102-W106 HydrophobicContact CG2-CE3 4.26Å; V102-R107 CarbonylContact C-O 3.6Å; V102-R107 WeakPolarHBondContact CA-O 3.18Å; V102-R107 WeakPolarHBondContact CB-O 3.45Å; V102-V164 HydrophobicContact CG1-CB 4.39Å; V102-V164 HydrophobicContact CG1-CG1 3.93Å; V102-V164 HydrophobicContact CG1-CG2 3.93Å; V102-L167 HydrophobicContact CB-CD2 4.47Å; V102-L167 HydrophobicContact CG1-CD2 3.99Å; V102-L167 HydrophobicContact CG2-CD2 3.77Å; V102-L167 HydrophobicContact CG2-CG 4.34Å
103G94.8Very high96.8Very high9 Ų947 Ų479%0.09323%0.227CC..  trans-73.617017300000112.5D105 W106 R107G103-D105 PolarHBondContact O-N 3.47Å; G103-W106 WeakPolarHBondContact O-CA 3.46Å; G103-W106 PolarHBondContact O-N 3.03Å; G103-R107 PolarHBondContact N-O 2.97Å
104S90.2Very high96.8Very high120 Ų12048.4 Ų48.484%0.83923%0.231SC*.THydrogen-bonded Turntrans-65.7-15.6169.644.80000113.1W106S104-W106 VanDerWaalsContact C-N 3.27Å
105D91.2Very high96.8Very high84 Ų8449.4 Ų49.445%0.44924%0.235SC..THydrogen-bonded Turntrans-89.211.1169.175.2-21.2000113.2G103 R107G103-D105 PolarHBondContact O-N 3.47Å; D105-R107 PolarHBondContact O-N 3.41Å; D105-R107 WeakPolarHBondContact OD1-CB 3.47Å; D105-R107 PolarHBondContact OD1-N 2.54Å; D105-R107 VanDerWaalsContact OD1-N 3.1Å; D105-R107 WeakPolarHBondContact OD2-CD 3.39Å; D105-R107 VanDerWaalsContact OD2-CG 3.25Å; D105-R107 WeakPolarHBondContact OD2-CG 3.41Å; D105-R107 IonicContact OD2-CZ 3.75Å; D105-R107 IonicContact OD2-NE 2.7Å; D105-R107 PolarHBondContact OD2-NE 2.34Å; D105-R107 VanDerWaalsContact OD2-NE 3.15Å
106W89.9Confident96.8Very high93 Ų9346.6 Ų46.635%0.35223%0.225SC..SBendtrans639.1-177.9-57.5101.5000116V102 G103 S104 R168 L171V102-W106 HydrophobicContact CG2-CE3 4.26Å; G103-W106 WeakPolarHBondContact O-CA 3.46Å; G103-W106 PolarHBondContact O-N 3.03Å; S104-W106 VanDerWaalsContact C-N 3.27Å; W106-R168 HydrophobicContact CE3-CG 3.87Å; W106-R168 HydrophobicContact CZ3-CG 4.48Å; W106-R168 PolarHBondContact O-NE 3.46Å; W106-R168 PolarHBondContact O-NH2 3.13Å; W106-L171 HydrophobicContact CH2-CB 4.03Å; W106-L171 HydrophobicContact CH2-CD1 4Å; W106-L171 HydrophobicContact CZ3-CB 4.15Å; W106-L171 HydrophobicContact CZ3-CD1 3.59Å
107R95.3Very high96.8Very high174 Ų17446.1 Ų46.166%0.65722%0.223SC*.  trans-80.5150.1178.1-63.3-174.6-167.1174.51.9111.4V102 G103 D105 L109V102-R107 CarbonylContact C-O 3.6Å; V102-R107 WeakPolarHBondContact CA-O 3.18Å; V102-R107 WeakPolarHBondContact CB-O 3.45Å; G103-R107 PolarHBondContact N-O 2.97Å; D105-R107 PolarHBondContact O-N 3.41Å; D105-R107 WeakPolarHBondContact OD1-CB 3.47Å; D105-R107 PolarHBondContact OD1-N 2.54Å; D105-R107 VanDerWaalsContact OD1-N 3.1Å; D105-R107 WeakPolarHBondContact OD2-CD 3.39Å; D105-R107 VanDerWaalsContact OD2-CG 3.25Å; D105-R107 WeakPolarHBondContact OD2-CG 3.41Å; D105-R107 IonicContact OD2-CZ 3.75Å; D105-R107 IonicContact OD2-NE 2.7Å; D105-R107 PolarHBondContact OD2-NE 2.34Å; D105-R107 VanDerWaalsContact OD2-NE 3.15Å; R107-L109 PolarHBondContact O-N 3.12Å
108F97.8Very high96.8Very high59 Ų5947.7 Ų47.726%0.25923%0.232SC..EExtended strand (participates in β ladder)trans-57.6129170.7179.7-97.9000110.7C100 R110 L129 L159 E160 V164C100-F108 HydrophobicContact CB-CD2 4.36Å; C100-F108 HydrophobicContact CB-CE2 4.05Å; F108-R110 VanDerWaalsContact CE2-C 3.48Å; F108-R110 VanDerWaalsContact CE2-O 3.29Å; F108-R110 WeakPolarHBondContact CE2-O 3.21Å; F108-L129 HydrophobicContact CE1-CD1 3.81Å; F108-L129 HydrophobicContact CZ-CD1 3.63Å; F108-L159 WeakPolarHBondContact CD2-O 3.5Å; F108-L159 HydrophobicContact CE2-CB 4.36Å; F108-L159 WeakPolarHBondContact CE2-O 3.49Å; F108-E160 HydrophobicContact CD1-CG 4.13Å; F108-E160 HydrophobicContact CE1-CG 3.96Å; F108-E160 HydrophobicContact CE2-CG 4.4Å; F108-E160 HydrophobicContact CG-CG 4.42Å; F108-E160 HydrophobicContact CZ-CG 4.08Å; F108-V164 HydrophobicContact CB-CG2 4.1Å; F108-V164 HydrophobicContact CD2-CG2 3.77Å; F108-V164 HydrophobicContact CG-CG2 4.44Å
109L97.3Very high96.7Very high104 Ų10449.8 Ų49.855%0.54526%0.258SS..EExtended strand (participates in β ladder)trans-106.9-46.5173-64.5179.7000111.9D101 R107D101-L109 PolarHBondContact O-N 3.26Å; R107-L109 PolarHBondContact O-N 3.12Å
110R97.6Very high96.7Very high89 Ų8957.4 Ų57.434%0.33629%0.292SS..EExtended strand (participates in β ladder)trans-155.8147.1-169.7-169.7166.4173.3128.46.1111.4C100 D101 F108 Y112 E127C100-R110 CarbonylContact C-O 3.55Å; C100-R110 WeakPolarHBondContact CA-O 3.29Å; D101-R110 HydrophobicContact CB-CB 4.4Å; D101-R110 PolarHBondContact N-O 3.05Å; D101-R110 PolarHBondContact O-N 3.28Å; F108-R110 VanDerWaalsContact CE2-C 3.48Å; F108-R110 VanDerWaalsContact CE2-O 3.29Å; F108-R110 WeakPolarHBondContact CE2-O 3.21Å; R110-Y112 HydrophobicContact CB-CE2 4.2Å; R110-Y112 VanDerWaalsContact CD-OH 3.26Å; R110-Y112 WeakPolarHBondContact CD-OH 3.29Å; R110-Y112 HydrophobicContact CG-CD2 4.39Å; R110-Y112 HydrophobicContact CG-CE2 3.73Å; R110-Y112 PolarHBondContact NE-OH 3.14Å; R110-E127 VanDerWaalsContact CZ-CD 3.43Å; R110-E127 IonicContact CZ-OE1 3.27Å; R110-E127 IonicContact NH1-OE1 3.38Å; R110-E127 PolarHBondContact NH1-OE1 2.74Å; R110-E127 IonicContact NH1-OE2 3.13Å; R110-E127 PolarHBondContact NH1-OE2 3.03Å; R110-E127 VanDerWaalsContact NH2-CD 3.33Å; R110-E127 IonicContact NH2-OE1 2.85Å; R110-E127 PolarHBondContact NH2-OE1 3.04Å
111G98.1Very high96.7Very high6 Ų662.8 Ų62.86%0.06232%0.32CS..EExtended strand (participates in β ladder)trans-125148.9174.800000110.4G99G99-G111 CarbonylContact O-C 3.6Å; G99-G111 WeakPolarHBondContact O-CA 3.45Å
112Y98.4Very high96.8Very high44 Ų4462 Ų6217%0.17332%0.316CS..EExtended strand (participates in β ladder)trans-130138.3-177.5-60.7-98.9000109.8R5 M97 Y98 G99 D101 R110R5-Y112 PolarHBondContact NH2-OH 3.36Å; M97-Y112 HydrophobicContact CE-CD1 3.85Å; M97-Y112 HydrophobicContact CE-CG 3.97Å; Y98-Y112 WeakPolarHBondContact CA-O 3.16Å; Y98-Y112 VanDerWaalsContact CB-O 3.3Å; Y98-Y112 WeakPolarHBondContact CB-O 3.36Å; G99-Y112 PolarHBondContact N-O 2.84Å; G99-Y112 VanDerWaalsContact N-O 3.08Å; G99-Y112 PolarHBondContact O-N 3.11Å; D101-Y112 WeakPolarHBondContact OD2-CE2 3.42Å; D101-Y112 PolarHBondContact OD2-OH 3.17Å; R110-Y112 HydrophobicContact CB-CE2 4.2Å; R110-Y112 VanDerWaalsContact CD-OH 3.26Å; R110-Y112 WeakPolarHBondContact CD-OH 3.29Å; R110-Y112 HydrophobicContact CG-CD2 4.39Å; R110-Y112 HydrophobicContact CG-CE2 3.73Å; R110-Y112 PolarHBondContact NE-OH 3.14Å
113H98.6Very high96.8Very high7 Ų762.2 Ų62.23%0.03232%0.317CS..EExtended strand (participates in β ladder)trans-157100.9168-176.8-90.9000109.1R96 M97 Y115 L125 W132 L155R96-H113 PolarHBondContact NE-NE2 2.94Å; R96-H113 PolarHBondContact NH2-CD2 3.21Å; R96-H113 VanDerWaalsContact NH2-CD2 3.33Å; R96-H113 PolarHBondContact NH2-NE2 2.98Å; M97-H113 WeakPolarHBondContact O-CA 3.39Å; H113-Y115 AromaticContact CE1-CE2 3.57Å; H113-Y115 AromaticContact NE2-CE2 3.91Å; H113-L125 HydrophobicContact CB-CB 4Å; H113-L125 HydrophobicContact CB-CD2 4.12Å; H113-L125 WeakPolarHBondContact O-CB 3.47Å; H113-L125 PolarHBondContact O-N 3.21Å; H113-W132 AromaticContact ND1-CH2 3.62Å; H113-W132 AromaticContact ND1-CZ3 3.76Å; H113-L155 HydrophobicContact CB-CD1 4.29Å; H113-L155 WeakPolarHBondContact ND1-CD1 3.38Å
114Q98.5Very high97Very high64 Ų6463.1 Ų63.130%0.29932%0.324SS..EExtended strand (participates in β ladder)trans-138.3147.2-17464.2-166.182.600111.9R96 M97 I123 A124R96-Q114 CarbonylContact C-O 3.56Å; R96-Q114 WeakPolarHBondContact CA-O 3.45Å; M97-Q114 HydrophobicContact CB-CG 4.11Å; M97-Q114 HydrophobicContact CE-CG 4.27Å; M97-Q114 PolarHBondContact N-O 2.81Å; M97-Q114 PolarHBondContact O-N 2.89Å; Q114-I123 CarbonylContact C-O 3.59Å; Q114-I123 WeakPolarHBondContact CA-O 3.34Å; Q114-A124 HydrophobicContact CB-CB 3.78Å
115Y98.7Very high97.4Very high21 Ų2158.1 Ų58.18%0.08229%0.287CS..EExtended strand (participates in β ladder)trans-120.9146.3175.7-77.8-111.9000110.3V94 Q95 R96 H113 Y122 I123 W146V94-Y115 HydrophobicContact CG1-CD1 3.96Å; V94-Y115 HydrophobicContact CG1-CE1 4.3Å; Q95-Y115 CarbonylContact O-C 3.59Å; Q95-Y115 VanDerWaalsContact O-CA 3.24Å; Q95-Y115 WeakPolarHBondContact O-CA 3.36Å; R96-Y115 HydrophobicContact CB-CD1 4.03Å; R96-Y115 HydrophobicContact CB-CD2 4.41Å; R96-Y115 HydrophobicContact CB-CE1 3.95Å; R96-Y115 HydrophobicContact CB-CE2 4.32Å; R96-Y115 HydrophobicContact CB-CG 4.29Å; R96-Y115 VanDerWaalsContact CD-CZ 3.48Å; R96-Y115 WeakPolarHBondContact CD-OH 3.27Å; R96-Y115 HydrophobicContact CG-CD1 4.38Å; R96-Y115 HydrophobicContact CG-CD2 3.96Å; R96-Y115 HydrophobicContact CG-CE1 4.1Å; R96-Y115 HydrophobicContact CG-CE2 3.62Å; R96-Y115 HydrophobicContact CG-CG 4.34Å; R96-Y115 PolarHBondContact NE-OH 3.32Å; H113-Y115 AromaticContact CE1-CE2 3.57Å; H113-Y115 AromaticContact NE2-CE2 3.91Å; Y115-Y122 WeakPolarHBondContact O-CB 3.17Å; Y115-Y122 PolarHBondContact O-N 2.81Å; Y115-I123 PolarHBondContact N-O 2.95Å; Y115-I123 PolarHBondContact O-N 2.68Å; Y115-W146 AromaticContact CD2-CH2 3.85Å; Y115-W146 HydrophobicContact CD2-CH2 3.85Å; Y115-W146 AromaticContact CE2-CH2 3.61Å; Y115-W146 HydrophobicContact CE2-CH2 3.61Å; Y115-W146 HydrophobicContact CE2-CZ2 4.42Å; Y115-W146 HydrophobicContact CE2-CZ3 4.48Å
116A98.8Very high97.8Very high18 Ų1858 Ų5815%0.14928%0.283CS..EExtended strand (participates in β ladder)trans-126.5147.7169.900000110Q95 K120Q95-A116 HydrophobicContact CB-CB 4.32Å; Q95-A116 PolarHBondContact N-O 3.41Å; Q95-A116 PolarHBondContact O-N 2.79Å; A116-K120 CarbonylContact C-O 3.55Å; A116-K120 WeakPolarHBondContact CA-O 3.33Å; A116-K120 WeakPolarHBondContact CB-O 3.39Å
117Y98.7Very high98.1Very high10 Ų1060 Ų604%0.03930%0.296CS..EExtended strand (participates in β ladder)trans-127.7131.3178.7-171.6-122.4000110.4L77 L80 R81 Y84 Q86 H92 T93 V94 G119 K120L77-Y117 HydrophobicContact CD2-CE2 4.36Å; L80-Y117 HydrophobicContact CB-CD1 4.23Å; L80-Y117 HydrophobicContact CB-CD2 4.1Å; L80-Y117 HydrophobicContact CB-CE1 3.88Å; L80-Y117 HydrophobicContact CB-CE2 3.75Å; L80-Y117 HydrophobicContact CB-CG 4.32Å; L80-Y117 HydrophobicContact CD1-CD2 3.67Å; L80-Y117 HydrophobicContact CD1-CE2 4.01Å; L80-Y117 HydrophobicContact CD1-CG 4.08Å; L80-Y117 HydrophobicContact CG-CD2 4.47Å; R81-Y117 PolarHBondContact N-OH 2.73Å; Y84-Y117 AromaticContact CD2-CD1 3.64Å; Y84-Y117 HydrophobicContact CD2-CD1 3.64Å; Y84-Y117 AromaticContact CD2-CE1 3.46Å; Y84-Y117 HydrophobicContact CD2-CE1 3.46Å; Y84-Y117 VanDerWaalsContact CD2-CE1 3.46Å; Y84-Y117 AromaticContact CE2-CD1 3.44Å; Y84-Y117 HydrophobicContact CE2-CD1 3.44Å; Y84-Y117 VanDerWaalsContact CE2-CD1 3.44Å; Y84-Y117 AromaticContact CE2-CE1 3.79Å; Y84-Y117 HydrophobicContact CE2-CE1 3.79Å; Y84-Y117 HydrophobicContact CE2-CG 4.44Å; Y84-Y117 HydrophobicContact CG-CE1 4.4Å; Q86-Y117 PolarHBondContact OE1-OH 2.89Å; H92-Y117 HydrophobicContact CB-CE2 4Å; H92-Y117 PolarHBondContact ND1-OH 2.96Å; T93-Y117 WeakPolarHBondContact O-CA 3.43Å; T93-Y117 VanDerWaalsContact O-CD2 3.28Å; T93-Y117 WeakPolarHBondContact O-CD2 3.49Å; V94-Y117 HydrophobicContact CG2-CD2 3.67Å; V94-Y117 HydrophobicContact CG2-CE2 3.91Å; Y117-G119 PolarHBondContact O-N 3.44Å; Y117-G119 VanDerWaalsContact O-N 3.1Å; Y117-K120 PolarHBondContact N-O 3.19Å; Y117-K120 PolarHBondContact O-N 2.87Å
118D98.2Very high98.2Very high58 Ų5855.1 Ų55.131%0.3128%0.283SS..THydrogen-bonded Turntrans46.639.9-176-65.3-17.8000113.4Q86 H92 T93Q86-D118 PolarHBondContact NE2-OD2 3.18Å; Q86-D118 VanDerWaalsContact NE2-OD2 3.16Å; H92-D118 WeakPolarHBondContact CA-OD1 3.4Å; H92-D118 WeakPolarHBondContact CB-OD1 3.48Å; H92-D118 IonicContact CE1-OD2 3.12Å; H92-D118 IonicContact CG-OD1 3.69Å; H92-D118 IonicContact CG-OD2 2.75Å; H92-D118 IonicContact ND1-OD1 3.15Å; H92-D118 IonicContact ND1-OD2 2.72Å; H92-D118 PolarHBondContact ND1-OD2 3.2Å; T93-D118 PolarHBondContact N-OD1 3.11Å; T93-D118 PolarHBondContact O-N 2.98Å
119G97.3Very high98.3Very high60 Ų6052.5 Ų52.562%0.61927%0.272SS*.THydrogen-bonded Turntrans79.89.5178.700000115.9Y117Y117-G119 PolarHBondContact O-N 3.44Å; Y117-G119 VanDerWaalsContact O-N 3.1Å
120K98.4Very high98.3Very high160 Ų16055.9 Ų55.970%0.69628%0.277SS*.EExtended strand (participates in β ladder)trans-119.8146.7179-59.6177.2-175.3175.50111.1A116 Y117 Y122A116-K120 CarbonylContact C-O 3.55Å; A116-K120 WeakPolarHBondContact CA-O 3.33Å; A116-K120 WeakPolarHBondContact CB-O 3.39Å; Y117-K120 PolarHBondContact N-O 3.19Å; Y117-K120 PolarHBondContact O-N 2.87Å; K120-Y122 PolarHBondContact O-N 2.9Å
121D98.6Very high98.3Very high113 Ų11352.9 Ų52.960%0.60427%0.27SS*.EExtended strand (participates in β ladder)trans-54.4138.3172.9-72.7-43.4000111.4A135D121-A135 HydrophobicContact CB-CB 4.45Å; D121-A135 WeakPolarHBondContact O-CB 3.4Å
122Y98.8Very high98.3Very high9 Ų952.7 Ų52.74%0.03527%0.268CS..EExtended strand (participates in β ladder)trans-115.4-66178.8179.4-113.3000110.7L80 Y84 Y115 K120 A135 A138 A139 T142L80-Y122 HydrophobicContact CD2-CD1 4.19Å; L80-Y122 HydrophobicContact CD2-CD2 4.16Å; L80-Y122 HydrophobicContact CD2-CE1 3.58Å; L80-Y122 HydrophobicContact CD2-CE2 3.55Å; L80-Y122 HydrophobicContact CD2-CG 4.46Å; L80-Y122 WeakPolarHBondContact CD2-OH 3.49Å; Y84-Y122 HydrophobicContact CE2-CD2 4.41Å; Y84-Y122 HydrophobicContact CE2-CE2 4.2Å; Y84-Y122 VanDerWaalsContact OH-CD2 3.29Å; Y84-Y122 WeakPolarHBondContact OH-CD2 3.46Å; Y84-Y122 WeakPolarHBondContact OH-CE2 3.36Å; Y115-Y122 WeakPolarHBondContact O-CB 3.17Å; Y115-Y122 PolarHBondContact O-N 2.81Å; K120-Y122 PolarHBondContact O-N 2.9Å; Y122-A135 WeakPolarHBondContact O-CB 3.14Å; Y122-A135 PolarHBondContact O-N 3.26Å; Y122-A138 HydrophobicContact CE2-CB 4.38Å; Y122-A138 PolarHBondContact OH-O 3.43Å; Y122-A139 HydrophobicContact CD2-CB 3.81Å; Y122-A139 VanDerWaalsContact CE2-CA 3.43Å; Y122-A139 HydrophobicContact CE2-CB 3.63Å; Y122-A139 HydrophobicContact CG-CB 4.38Å; Y122-A139 WeakPolarHBondContact O-CB 3.47Å; Y122-T142 HydrophobicContact CE1-CG2 4.18Å; Y122-T142 WeakPolarHBondContact OH-CB 3.45Å; Y122-T142 PolarHBondContact OH-OG1 3.26Å
123I98.8Very high98.3Very high4 Ų454.3 Ų54.32%0.02128%0.282CS..EExtended strand (participates in β ladder)trans-146138.9178.4-164177.2000110.8Q114 Y115 W132 T133 A134 T142 K143 W146Q114-I123 CarbonylContact C-O 3.59Å; Q114-I123 WeakPolarHBondContact CA-O 3.34Å; Y115-I123 PolarHBondContact N-O 2.95Å; Y115-I123 PolarHBondContact O-N 2.68Å; I123-W132 HydrophobicContact CD1-CB 4.26Å; I123-W132 HydrophobicContact CD1-CD2 4.28Å; I123-W132 HydrophobicContact CD1-CE3 4.06Å; I123-W132 HydrophobicContact CD1-CG 4.38Å; I123-W132 HydrophobicContact CG1-CB 4.38Å; I123-W132 HydrophobicContact CG1-CE3 3.98Å; I123-T133 WeakPolarHBondContact CA-O 3.33Å; I123-T133 WeakPolarHBondContact CG1-O 3.43Å; I123-A134 HydrophobicContact CG1-CB 4.46Å; I123-T142 HydrophobicContact CD1-CG2 4.22Å; I123-K143 HydrophobicContact CD1-CB 3.75Å; I123-W146 HydrophobicContact CD1-CE3 3.94Å; I123-W146 HydrophobicContact CD1-CZ3 4.2Å; I123-W146 HydrophobicContact CG2-CE3 4.42Å; I123-W146 HydrophobicContact CG2-CH2 3.95Å; I123-W146 HydrophobicContact CG2-CZ3 3.65Å
124A98.8Very high98.3Very high29 Ų2954.8 Ų54.824%0.2429%0.287CS..EExtended strand (participates in β ladder)trans-134.7136.3179.700000111.7Q114 T133Q114-A124 HydrophobicContact CB-CB 3.78Å; A124-T133 PolarHBondContact N-O 2.91Å; A124-T133 PolarHBondContact O-N 3.33Å
125L98.8Very high98.3Very high14 Ų1454.7 Ų54.77%0.07330%0.297CS..EExtended strand (participates in β ladder)trans-69.1132.5167.4-174.463.4000108.5H113 L129 W132 A152 L155 L159H113-L125 HydrophobicContact CB-CB 4Å; H113-L125 HydrophobicContact CB-CD2 4.12Å; H113-L125 WeakPolarHBondContact O-CB 3.47Å; H113-L125 PolarHBondContact O-N 3.21Å; L125-L129 HydrophobicContact CD2-CD2 3.83Å; L125-L129 HydrophobicContact CG-CD2 4.33Å; L125-W132 HydrophobicContact CB-CE3 4.03Å; L125-W132 HydrophobicContact CB-CH2 4.04Å; L125-W132 HydrophobicContact CB-CZ3 3.61Å; L125-W132 HydrophobicContact CD1-CD2 4.25Å; L125-W132 HydrophobicContact CD1-CE3 4.3Å; L125-W132 HydrophobicContact CD1-CH2 4.03Å; L125-W132 HydrophobicContact CD1-CZ2 3.97Å; L125-W132 HydrophobicContact CD1-CZ3 4.2Å; L125-W132 HydrophobicContact CG-CZ3 4.47Å; L125-A152 HydrophobicContact CD1-CB 3.91Å; L125-L155 HydrophobicContact CD2-CB 4.36Å; L125-L159 HydrophobicContact CD2-CD1 3.95Å
126K98.4Very high98.3Very high81 Ų8156.5 Ų56.535%0.35231%0.308SS..  trans-78.9168.9177.1-63.7-169.9-148.4148.30112D128 L129 S131 T133K126-D128 PolarHBondContact O-N 2.64Å; K126-D128 VanDerWaalsContact O-N 3.12Å; K126-L129 PolarHBondContact O-N 2.96Å; K126-S131 WeakPolarHBondContact CB-O 3.48Å; K126-S131 WeakPolarHBondContact CD-OG 3.19Å; K126-S131 WeakPolarHBondContact CE-OG 3.33Å; K126-S131 WeakPolarHBondContact CG-O 3.17Å; K126-S131 PolarHBondContact N-O 2.09Å; K126-S131 PolarHBondContact NZ-OG 3.14Å; K126-T133 VanDerWaalsContact CE-OG1 3.27Å; K126-T133 WeakPolarHBondContact CE-OG1 3.42Å; K126-T133 WeakPolarHBondContact CG-OG1 3.37Å
127E97.4Very high98.2Very high137 Ų13762.9 Ų62.964%0.6434%0.337SS*.THydrogen-bonded Turntrans-59.7-19.7177.8-54.8-177.7-169.500113.5R110 L129R110-E127 VanDerWaalsContact CZ-CD 3.43Å; R110-E127 IonicContact CZ-OE1 3.27Å; R110-E127 IonicContact NH1-OE1 3.38Å; R110-E127 PolarHBondContact NH1-OE1 2.74Å; R110-E127 IonicContact NH1-OE2 3.13Å; R110-E127 PolarHBondContact NH1-OE2 3.03Å; R110-E127 VanDerWaalsContact NH2-CD 3.33Å; R110-E127 IonicContact NH2-OE1 2.85Å; R110-E127 PolarHBondContact NH2-OE1 3.04Å; E127-L129 PolarHBondContact O-N 2.78Å
128D97.4Very high98.1Very high70 Ų7063 Ų6337%0.37434%0.34SS..THydrogen-bonded Turntrans-72.9-11.2172.965.218.2000114.2K126 R130 S131K126-D128 PolarHBondContact O-N 2.64Å; K126-D128 VanDerWaalsContact O-N 3.12Å; D128-R130 VanDerWaalsContact O-CG 3.31Å; D128-R130 WeakPolarHBondContact O-CG 3.37Å; D128-R130 PolarHBondContact O-N 2.89Å; D128-R130 PolarHBondContact OD1-N 3.46Å; D128-S131 PolarHBondContact OD1-N 3.08Å; D128-S131 WeakPolarHBondContact OD2-CB 3.37Å; D128-S131 PolarHBondContact OD2-OG 2.97Å
129L97.9Very high98.1Very high5 Ų560.3 Ų60.33%0.02633%0.326CS..SBendtrans51.928.8-173.7-52.7177000114F108 L125 K126 E127 R156 L159 E160F108-L129 HydrophobicContact CE1-CD1 3.81Å; F108-L129 HydrophobicContact CZ-CD1 3.63Å; L125-L129 HydrophobicContact CD2-CD2 3.83Å; L125-L129 HydrophobicContact CG-CD2 4.33Å; K126-L129 PolarHBondContact O-N 2.96Å; E127-L129 PolarHBondContact O-N 2.78Å; L129-R156 HydrophobicContact CB-CB 4.09Å; L129-R156 HydrophobicContact CB-CG 3.81Å; L129-R156 HydrophobicContact CD1-CG 4.01Å; L129-L159 HydrophobicContact CD2-CD1 4.14Å; L129-E160 HydrophobicContact CD1-CG 3.88Å
130R97.3Very high98.2Very high174 Ų17460 Ų6066%0.65731%0.308SS*.SBendtrans-135.6-35.7-174.2-69.3166.8-166.4-133.84112.9D128D128-R130 VanDerWaalsContact O-CG 3.31Å; D128-R130 WeakPolarHBondContact O-CG 3.37Å; D128-R130 PolarHBondContact O-N 2.89Å; D128-R130 PolarHBondContact OD1-N 3.46Å
131S97.6Very high98.1Very high27 Ų2755.3 Ų55.319%0.18929%0.293CS..  trans-118.7157.7-17579.90000112.9K126 D128K126-S131 WeakPolarHBondContact CB-O 3.48Å; K126-S131 WeakPolarHBondContact CD-OG 3.19Å; K126-S131 WeakPolarHBondContact CE-OG 3.33Å; K126-S131 WeakPolarHBondContact CG-O 3.17Å; K126-S131 PolarHBondContact N-O 2.09Å; K126-S131 PolarHBondContact NZ-OG 3.14Å; D128-S131 PolarHBondContact OD1-N 3.08Å; D128-S131 WeakPolarHBondContact OD2-CB 3.37Å; D128-S131 PolarHBondContact OD2-OG 2.97Å
132W98.7Very high98.1Very high2 Ų250.6 Ų50.61%0.00827%0.268CS..EExtended strand (participates in β ladder)trans-113.6137.6-172.4-61.595.9000112.3H113 I123 L125 K143 W146 V151 A152 L155H113-W132 AromaticContact ND1-CH2 3.62Å; H113-W132 AromaticContact ND1-CZ3 3.76Å; I123-W132 HydrophobicContact CD1-CB 4.26Å; I123-W132 HydrophobicContact CD1-CD2 4.28Å; I123-W132 HydrophobicContact CD1-CE3 4.06Å; I123-W132 HydrophobicContact CD1-CG 4.38Å; I123-W132 HydrophobicContact CG1-CB 4.38Å; I123-W132 HydrophobicContact CG1-CE3 3.98Å; L125-W132 HydrophobicContact CB-CE3 4.03Å; L125-W132 HydrophobicContact CB-CH2 4.04Å; L125-W132 HydrophobicContact CB-CZ3 3.61Å; L125-W132 HydrophobicContact CD1-CD2 4.25Å; L125-W132 HydrophobicContact CD1-CE3 4.3Å; L125-W132 HydrophobicContact CD1-CH2 4.03Å; L125-W132 HydrophobicContact CD1-CZ2 3.97Å; L125-W132 HydrophobicContact CD1-CZ3 4.2Å; L125-W132 HydrophobicContact CG-CZ3 4.47Å; W132-K143 HydrophobicContact CB-CD 3.94Å; W132-K143 HydrophobicContact CB-CG 3.91Å; W132-K143 PolarHBondContact O-NZ 2.88Å; W132-W146 HydrophobicContact CD2-CE3 4.14Å; W132-W146 AromaticContact CE2-CE3 3.96Å; W132-W146 AromaticContact CE3-CE3 3.94Å; W132-W146 HydrophobicContact CE3-CE3 3.94Å; W132-W146 HydrophobicContact CE3-CZ3 4.14Å; W132-W146 AromaticContact CH2-CE3 3.38Å; W132-W146 HydrophobicContact CH2-CE3 3.38Å; W132-W146 AromaticContact CH2-CZ3 3.57Å; W132-W146 HydrophobicContact CH2-CZ3 3.57Å; W132-W146 HydrophobicContact CZ2-CB 4.47Å; W132-W146 HydrophobicContact CZ2-CD2 4.45Å; W132-W146 AromaticContact CZ2-CE3 3.6Å; W132-W146 HydrophobicContact CZ2-CE3 3.6Å; W132-W146 HydrophobicContact CZ2-CZ3 4.26Å; W132-W146 AromaticContact CZ3-CE3 3.57Å; W132-W146 HydrophobicContact CZ3-CE3 3.57Å; W132-W146 AromaticContact CZ3-CZ3 3.49Å; W132-W146 HydrophobicContact CZ3-CZ3 3.49Å; W132-W146 VanDerWaalsContact CZ3-CZ3 3.49Å; W132-V151 HydrophobicContact CZ2-CB 4.4Å; W132-V151 HydrophobicContact CZ2-CG1 4.21Å; W132-A152 HydrophobicContact CZ2-CB 4.16Å; W132-L155 HydrophobicContact CH2-CD1 3.53Å; W132-L155 HydrophobicContact CZ2-CD1 3.98Å
133T98.6Very high98.1Very high78 Ų7852.1 Ų52.148%0.47928%0.275SS..EExtended strand (participates in β ladder)trans-95.4126.4162.3-62.80000108I123 A124 K126I123-T133 WeakPolarHBondContact CA-O 3.33Å; I123-T133 WeakPolarHBondContact CG1-O 3.43Å; A124-T133 PolarHBondContact N-O 2.91Å; A124-T133 PolarHBondContact O-N 3.33Å; K126-T133 VanDerWaalsContact CE-OG1 3.27Å; K126-T133 WeakPolarHBondContact CE-OG1 3.42Å; K126-T133 WeakPolarHBondContact CG-OG1 3.37Å
134A98.6Very high98.1Very high16 Ų1657.2 Ų57.213%0.13230%0.299CS..EExtended strand (participates in β ladder)trans-119.2129.8178.500000108.1I123 A139 K143I123-A134 HydrophobicContact CG1-CB 4.46Å; A134-A139 HydrophobicContact CB-CB 3.63Å; A134-K143 HydrophobicContact CB-CB 4.24Å; A134-K143 HydrophobicContact CB-CD 4.07Å
135A98.4Very high98Very high63 Ų6361.3 Ų61.352%0.52131%0.311SS..SBendtrans-74.6-32.2-17000000113.7D121 Y122D121-A135 HydrophobicContact CB-CB 4.45Å; D121-A135 WeakPolarHBondContact O-CB 3.4Å; Y122-A135 WeakPolarHBondContact O-CB 3.14Å; Y122-A135 PolarHBondContact O-N 3.26Å
136D98Very high98Very high58 Ų5863.1 Ų63.131%0.3132%0.317SS..SBendtrans-147.6-173-178.567.934.6000112.8Y84 A138 A139 Q140Y84-D136 VanDerWaalsContact CE1-OD2 3.23Å; Y84-D136 WeakPolarHBondContact CE1-OD2 3.35Å; Y84-D136 VanDerWaalsContact OH-CG 3.3Å; Y84-D136 PolarHBondContact OH-OD1 3.31Å; Y84-D136 PolarHBondContact OH-OD2 3.19Å; D136-A138 WeakPolarHBondContact OD1-CA 3.44Å; D136-A138 WeakPolarHBondContact OD1-CB 3.47Å; D136-A138 PolarHBondContact OD1-N 2.84Å; D136-A139 WeakPolarHBondContact O-CB 3.44Å; D136-A139 PolarHBondContact O-N 3.2Å; D136-A139 PolarHBondContact OD1-N 2.88Å; D136-Q140 WeakPolarHBondContact O-CG 3.29Å; D136-Q140 PolarHBondContact O-N 3.24Å
137M97.1Very high98Very high153 Ų15362.8 Ų62.875%0.75432%0.317SS*.Hα-helixtrans-67.4-31.4-179.4-64.6-56-61.400114.4A139 Q140M137-A139 VanDerWaalsContact C-N 3.34Å; M137-Q140 PolarHBondContact O-N 3.19Å; M137-Q140 HydrophobicContact SD-CG 4.4Å
138A97.1Very high98.1Very high13 Ų1360.2 Ų60.211%0.10732%0.319CS..Hα-helixtrans-71.3-34173.300000110.6Y83 Y84 Y122 D136 T141Y83-A138 HydrophobicContact CD2-CB 4.41Å; Y84-A138 HydrophobicContact CD1-CB 4.2Å; Y84-A138 HydrophobicContact CE1-CB 3.68Å; Y84-A138 HydrophobicContact CE2-CB 4.02Å; Y122-A138 HydrophobicContact CE2-CB 4.38Å; Y122-A138 PolarHBondContact OH-O 3.43Å; D136-A138 WeakPolarHBondContact OD1-CA 3.44Å; D136-A138 WeakPolarHBondContact OD1-CB 3.47Å; D136-A138 PolarHBondContact OD1-N 2.84Å; A138-T141 PolarHBondContact O-N 3.05Å
139A98.3Very high98.1Very high0 Ų059.5 Ų59.50%032%0.322CS..Hα-helixtrans-68.1-35.7171.800000113.3Y122 A134 D136 M137 T141 T142 K143Y122-A139 HydrophobicContact CD2-CB 3.81Å; Y122-A139 VanDerWaalsContact CE2-CA 3.43Å; Y122-A139 HydrophobicContact CE2-CB 3.63Å; Y122-A139 HydrophobicContact CG-CB 4.38Å; Y122-A139 WeakPolarHBondContact O-CB 3.47Å; A134-A139 HydrophobicContact CB-CB 3.63Å; D136-A139 WeakPolarHBondContact O-CB 3.44Å; D136-A139 PolarHBondContact O-N 3.2Å; D136-A139 PolarHBondContact OD1-N 2.88Å; M137-A139 VanDerWaalsContact C-N 3.34Å; A139-T141 PolarHBondContact O-N 3.39Å; A139-T142 PolarHBondContact O-N 3.39Å; A139-K143 WeakPolarHBondContact O-CB 3.45Å; A139-K143 PolarHBondContact O-N 2.85Å
140Q98.4Very high98.1Very high55 Ų5564.4 Ų64.426%0.25735%0.345SS..Hα-helixtrans-57.4-34.4172.9-59.3-55.7-27.300111.8D136 M137 K143 H144D136-Q140 WeakPolarHBondContact O-CG 3.29Å; D136-Q140 PolarHBondContact O-N 3.24Å; M137-Q140 PolarHBondContact O-N 3.19Å; M137-Q140 HydrophobicContact SD-CG 4.4Å; Q140-K143 WeakPolarHBondContact O-CB 3.32Å; Q140-K143 PolarHBondContact O-N 3.24Å; Q140-H144 PolarHBondContact O-CD2 3.03Å; Q140-H144 VanDerWaalsContact O-CD2 3.3Å; Q140-H144 PolarHBondContact O-N 3.16Å
141T97.7Very high98.1Very high60 Ų6057.4 Ų57.437%0.36832%0.322SS..Hα-helixtrans-67.6-37.4179.3-62.40000112.4Y83 A138 A139 K145Y83-T141 HydrophobicContact CE1-CG2 4.05Å; Y83-T141 HydrophobicContact CE2-CG2 4.32Å; A138-T141 PolarHBondContact O-N 3.05Å; A139-T141 PolarHBondContact O-N 3.39Å; T141-K145 WeakPolarHBondContact O-CG 3.4Å; T141-K145 PolarHBondContact O-N 3.26Å
142T98.1Very high98.1Very high15 Ų1556.5 Ų56.59%0.09232%0.315CS..Hα-helixtrans-73-41171.9-68.40000111.5Y122 I123 A139 H144 K145 W146Y122-T142 HydrophobicContact CE1-CG2 4.18Å; Y122-T142 WeakPolarHBondContact OH-CB 3.45Å; Y122-T142 PolarHBondContact OH-OG1 3.26Å; I123-T142 HydrophobicContact CD1-CG2 4.22Å; A139-T142 PolarHBondContact O-N 3.39Å; T142-H144 PolarHBondContact O-N 2.93Å; T142-K145 WeakPolarHBondContact O-CB 3.4Å; T142-K145 PolarHBondContact O-N 3.13Å; T142-W146 HydrophobicContact CG2-CD2 3.83Å; T142-W146 HydrophobicContact CG2-CE3 4.33Å; T142-W146 HydrophobicContact CG2-CG 4.21Å; T142-W146 HydrophobicContact CG2-CH2 4.34Å; T142-W146 HydrophobicContact CG2-CZ2 3.86Å; T142-W146 PolarHBondContact O-N 2.88Å
143K98.6Very high98.1Very high40 Ų4062 Ų6217%0.17434%0.341CS..Hα-helixtrans-53.6-53.5175.5169.6172.1172.8-176.30111.9I123 W132 A134 A139 Q140 K145 W146 E147I123-K143 HydrophobicContact CD1-CB 3.75Å; W132-K143 HydrophobicContact CB-CD 3.94Å; W132-K143 HydrophobicContact CB-CG 3.91Å; W132-K143 PolarHBondContact O-NZ 2.88Å; A134-K143 HydrophobicContact CB-CB 4.24Å; A134-K143 HydrophobicContact CB-CD 4.07Å; A139-K143 WeakPolarHBondContact O-CB 3.45Å; A139-K143 PolarHBondContact O-N 2.85Å; Q140-K143 WeakPolarHBondContact O-CB 3.32Å; Q140-K143 PolarHBondContact O-N 3.24Å; K143-K145 VanDerWaalsContact C-N 3.28Å; K143-K145 PolarHBondContact O-N 2.87Å; K143-W146 CarbonylContact O-C 3.58Å; K143-W146 PolarHBondContact O-N 2.9Å; K143-E147 VanDerWaalsContact CE-CD 3.46Å; K143-E147 WeakPolarHBondContact CE-OE1 3.33Å; K143-E147 HydrophobicContact CG-CG 4.2Å; K143-E147 WeakPolarHBondContact CG-OE2 3.19Å; K143-E147 IonicContact NZ-OE1 3.63Å; K143-E147 WeakPolarHBondContact O-CB 3.41Å; K143-E147 WeakPolarHBondContact O-CG 2.85Å; K143-E147 PolarHBondContact O-N 2.84Å
144H98.5Very high98Very high112 Ų11264.8 Ų64.852%0.51935%0.349SS..Hα-helixtrans-62.5-34.2-179.7-65.8-33.8000113Q140 T142 E147 A148Q140-H144 PolarHBondContact O-CD2 3.03Å; Q140-H144 VanDerWaalsContact O-CD2 3.3Å; Q140-H144 PolarHBondContact O-N 3.16Å; T142-H144 PolarHBondContact O-N 2.93Å; H144-E147 IonicContact ND1-OE2 2.79Å; H144-E147 PolarHBondContact ND1-OE2 3Å; H144-A148 VanDerWaalsContact O-CB 3.27Å; H144-A148 WeakPolarHBondContact O-CB 3.31Å; H144-A148 PolarHBondContact O-N 2.86Å
145K98Very high97.9Very high115 Ų11565.1 Ų65.150%0.535%0.348SS..Hα-helixtrans-65.5-41.1172.4-71.9173.9178.3-177.90112Y83 T141 T142 K143 A149Y83-K145 PolarHBondContact OH-NZ 2.84Å; T141-K145 WeakPolarHBondContact O-CG 3.4Å; T141-K145 PolarHBondContact O-N 3.26Å; T142-K145 WeakPolarHBondContact O-CB 3.4Å; T142-K145 PolarHBondContact O-N 3.13Å; K143-K145 VanDerWaalsContact C-N 3.28Å; K143-K145 PolarHBondContact O-N 2.87Å; K145-A149 VanDerWaalsContact O-CB 3.23Å; K145-A149 WeakPolarHBondContact O-CB 3.43Å; K145-A149 PolarHBondContact O-N 3.06Å
146W98.4Very high97.9Very high51 Ų5166 Ų6619%0.19334%0.338CS..Hα-helixtrans-76.2-30.7-179.9-74.37.1000113.5Y115 I123 W132 T142 K143 H150 V151Y115-W146 AromaticContact CD2-CH2 3.85Å; Y115-W146 HydrophobicContact CD2-CH2 3.85Å; Y115-W146 AromaticContact CE2-CH2 3.61Å; Y115-W146 HydrophobicContact CE2-CH2 3.61Å; Y115-W146 HydrophobicContact CE2-CZ2 4.42Å; Y115-W146 HydrophobicContact CE2-CZ3 4.48Å; I123-W146 HydrophobicContact CD1-CE3 3.94Å; I123-W146 HydrophobicContact CD1-CZ3 4.2Å; I123-W146 HydrophobicContact CG2-CE3 4.42Å; I123-W146 HydrophobicContact CG2-CH2 3.95Å; I123-W146 HydrophobicContact CG2-CZ3 3.65Å; W132-W146 HydrophobicContact CD2-CE3 4.14Å; W132-W146 AromaticContact CE2-CE3 3.96Å; W132-W146 AromaticContact CE3-CE3 3.94Å; W132-W146 HydrophobicContact CE3-CE3 3.94Å; W132-W146 HydrophobicContact CE3-CZ3 4.14Å; W132-W146 AromaticContact CH2-CE3 3.38Å; W132-W146 HydrophobicContact CH2-CE3 3.38Å; W132-W146 AromaticContact CH2-CZ3 3.57Å; W132-W146 HydrophobicContact CH2-CZ3 3.57Å; W132-W146 HydrophobicContact CZ2-CB 4.47Å; W132-W146 HydrophobicContact CZ2-CD2 4.45Å; W132-W146 AromaticContact CZ2-CE3 3.6Å; W132-W146 HydrophobicContact CZ2-CE3 3.6Å; W132-W146 HydrophobicContact CZ2-CZ3 4.26Å; W132-W146 AromaticContact CZ3-CE3 3.57Å; W132-W146 HydrophobicContact CZ3-CE3 3.57Å; W132-W146 AromaticContact CZ3-CZ3 3.49Å; W132-W146 HydrophobicContact CZ3-CZ3 3.49Å; W132-W146 VanDerWaalsContact CZ3-CZ3 3.49Å; T142-W146 HydrophobicContact CG2-CD2 3.83Å; T142-W146 HydrophobicContact CG2-CE3 4.33Å; T142-W146 HydrophobicContact CG2-CG 4.21Å; T142-W146 HydrophobicContact CG2-CH2 4.34Å; T142-W146 HydrophobicContact CG2-CZ2 3.86Å; T142-W146 PolarHBondContact O-N 2.88Å; K143-W146 CarbonylContact O-C 3.58Å; K143-W146 PolarHBondContact O-N 2.9Å; W146-H150 PolarHBondContact O-N 2.98Å; W146-V151 HydrophobicContact CB-CB 3.98Å; W146-V151 HydrophobicContact CB-CG2 3.97Å; W146-V151 HydrophobicContact CD2-CG1 4.35Å; W146-V151 HydrophobicContact CG-CB 4.17Å; W146-V151 HydrophobicContact CG-CG1 4.35Å; W146-V151 HydrophobicContact CG-CG2 3.98Å; W146-V151 PolarHBondContact O-N 2.85Å
147E98.4Very high97.9Very high75 Ų7568.3 Ų68.335%0.3535%0.354SS..Hα-helixtrans-66.6-51.8169.9-71.4172.7150.400110.3K143 H144 A149 H150K143-E147 VanDerWaalsContact CE-CD 3.46Å; K143-E147 WeakPolarHBondContact CE-OE1 3.33Å; K143-E147 HydrophobicContact CG-CG 4.2Å; K143-E147 WeakPolarHBondContact CG-OE2 3.19Å; K143-E147 IonicContact NZ-OE1 3.63Å; K143-E147 WeakPolarHBondContact O-CB 3.41Å; K143-E147 WeakPolarHBondContact O-CG 2.85Å; K143-E147 PolarHBondContact O-N 2.84Å; H144-E147 IonicContact ND1-OE2 2.79Å; H144-E147 PolarHBondContact ND1-OE2 3Å; E147-A149 PolarHBondContact O-N 3.43Å; E147-H150 PolarHBondContact O-N 2.86Å; E147-H150 VanDerWaalsContact O-N 3.08Å
148A98.3Very high98Very high83 Ų8364 Ų6469%0.68633%0.33SS*.Hα-helixtrans-64.4-23.517800000114.1H144H144-A148 VanDerWaalsContact O-CB 3.27Å; H144-A148 WeakPolarHBondContact O-CB 3.31Å; H144-A148 PolarHBondContact O-N 2.86Å
149A98Very high98Very high54 Ų5463.5 Ų63.545%0.44633%0.326SS..THydrogen-bonded Turntrans-98.99.9175.600000113.9K145 E147 V151K145-A149 VanDerWaalsContact O-CB 3.23Å; K145-A149 WeakPolarHBondContact O-CB 3.43Å; K145-A149 PolarHBondContact O-N 3.06Å; E147-A149 PolarHBondContact O-N 3.43Å; A149-V151 HydrophobicContact CB-CG2 3.99Å; A149-V151 PolarHBondContact O-N 2.71Å; A149-V151 VanDerWaalsContact O-N 3.1Å
150H97.4Very high98Very high108 Ų10866.9 Ų66.950%0.534%0.341SS..THydrogen-bonded Turntrans53.230.8176.9-65.9-102.9000114.6W146 E147 A152 E153W146-H150 PolarHBondContact O-N 2.98Å; E147-H150 PolarHBondContact O-N 2.86Å; E147-H150 VanDerWaalsContact O-N 3.08Å; H150-A152 PolarHBondContact O-N 2.95Å; H150-E153 IonicContact CE1-OE1 3.01Å; H150-E153 IonicContact CG-OE1 2.73Å; H150-E153 IonicContact ND1-OE1 3.13Å; H150-E153 PolarHBondContact ND1-OE1 2.78Å; H150-E153 IonicContact ND1-OE2 3.04Å; H150-E153 WeakPolarHBondContact O-CB 3.44Å; H150-E153 PolarHBondContact O-N 3.33Å
151V98.2Very high98Very high28 Ų2865.6 Ų65.617%0.1734%0.342CS..Hα-helixtrans-61.5-32.1-172.3176.90000112.2W132 W146 A149 E153 Q154 L155W132-V151 HydrophobicContact CZ2-CB 4.4Å; W132-V151 HydrophobicContact CZ2-CG1 4.21Å; W146-V151 HydrophobicContact CB-CB 3.98Å; W146-V151 HydrophobicContact CB-CG2 3.97Å; W146-V151 HydrophobicContact CD2-CG1 4.35Å; W146-V151 HydrophobicContact CG-CB 4.17Å; W146-V151 HydrophobicContact CG-CG1 4.35Å; W146-V151 HydrophobicContact CG-CG2 3.98Å; W146-V151 PolarHBondContact O-N 2.85Å; A149-V151 HydrophobicContact CB-CG2 3.99Å; A149-V151 PolarHBondContact O-N 2.71Å; A149-V151 VanDerWaalsContact O-N 3.1Å; V151-E153 VanDerWaalsContact C-N 3.29Å; V151-E153 PolarHBondContact O-N 2.98Å; V151-Q154 PolarHBondContact O-N 2.85Å; V151-L155 HydrophobicContact CG1-CD1 3.85Å; V151-L155 HydrophobicContact CG1-CG 4.3Å; V151-L155 WeakPolarHBondContact O-CG 3.47Å; V151-L155 PolarHBondContact O-N 3.4Å; V151-L155 VanDerWaalsContact O-N 3.1Å
152A98.3Very high98Very high7 Ų765.2 Ų65.26%0.05834%0.34CS..Hα-helixtrans-60.8-36.5176.600000112.5L125 W132 H150 L155 R156L125-A152 HydrophobicContact CD1-CB 3.91Å; W132-A152 HydrophobicContact CZ2-CB 4.16Å; H150-A152 PolarHBondContact O-N 2.95Å; A152-L155 PolarHBondContact O-N 2.95Å; A152-R156 VanDerWaalsContact O-CB 3.24Å; A152-R156 WeakPolarHBondContact O-CB 3.4Å; A152-R156 PolarHBondContact O-N 2.98Å
153E97.3Very high98Very high118 Ų11864.5 Ų64.555%0.55134%0.336SS*.Hα-helixtrans-68.3-42.7-179.5-62.8174.2-152.100111.4H150 V151 R156 V157H150-E153 IonicContact CE1-OE1 3.01Å; H150-E153 IonicContact CG-OE1 2.73Å; H150-E153 IonicContact ND1-OE1 3.13Å; H150-E153 PolarHBondContact ND1-OE1 2.78Å; H150-E153 IonicContact ND1-OE2 3.04Å; H150-E153 WeakPolarHBondContact O-CB 3.44Å; H150-E153 PolarHBondContact O-N 3.33Å; V151-E153 VanDerWaalsContact C-N 3.29Å; V151-E153 PolarHBondContact O-N 2.98Å; E153-R156 PolarHBondContact O-N 3.12Å; E153-V157 WeakPolarHBondContact O-CG2 3.46Å; E153-V157 PolarHBondContact O-N 3.31Å; E153-V157 VanDerWaalsContact O-N 3.1Å
154Q96.3Very high98Very high136 Ų13662.9 Ų62.964%0.63633%0.329SS*.Hα-helixtrans-63-43.5176-59.5-178.86.400111.6V151 Y158V151-Q154 PolarHBondContact O-N 2.85Å; Q154-Y158 PolarHBondContact O-N 2.94Å
155L97.9Very high97.9Very high23 Ų2363.3 Ų63.312%0.1233%0.332CS..Hα-helixtrans-66.3-39.9176.4-69.5170.5000111.8H113 L125 W132 V151 A152 V157 Y158 L159H113-L155 HydrophobicContact CB-CD1 4.29Å; H113-L155 WeakPolarHBondContact ND1-CD1 3.38Å; L125-L155 HydrophobicContact CD2-CB 4.36Å; W132-L155 HydrophobicContact CH2-CD1 3.53Å; W132-L155 HydrophobicContact CZ2-CD1 3.98Å; V151-L155 HydrophobicContact CG1-CD1 3.85Å; V151-L155 HydrophobicContact CG1-CG 4.3Å; V151-L155 WeakPolarHBondContact O-CG 3.47Å; V151-L155 PolarHBondContact O-N 3.4Å; V151-L155 VanDerWaalsContact O-N 3.1Å; A152-L155 PolarHBondContact O-N 2.95Å; L155-V157 PolarHBondContact O-N 2.74Å; L155-Y158 PolarHBondContact O-N 3.04Å; L155-L159 WeakPolarHBondContact O-CB 3.5Å; L155-L159 WeakPolarHBondContact O-CG 3.48Å; L155-L159 PolarHBondContact O-N 2.88Å
156R98.1Very high97.9Very high81 Ų8161 Ų6131%0.30632%0.32SS..Hα-helixtrans-60.2-43.7177.4-175.4171.9179.2-108.3-23.4111.9L129 A152 E153 Y158 L159 E160L129-R156 HydrophobicContact CB-CB 4.09Å; L129-R156 HydrophobicContact CB-CG 3.81Å; L129-R156 HydrophobicContact CD1-CG 4.01Å; A152-R156 VanDerWaalsContact O-CB 3.24Å; A152-R156 WeakPolarHBondContact O-CB 3.4Å; A152-R156 PolarHBondContact O-N 2.98Å; E153-R156 PolarHBondContact O-N 3.12Å; R156-Y158 VanDerWaalsContact C-N 3.35Å; R156-Y158 PolarHBondContact O-N 2.81Å; R156-L159 PolarHBondContact O-N 3.5Å; R156-E160 HydrophobicContact CG-CG 4.08Å; R156-E160 IonicContact CZ-OE1 3.97Å; R156-E160 IonicContact CZ-OE2 3.86Å; R156-E160 VanDerWaalsContact CZ-OE2 3.27Å; R156-E160 VanDerWaalsContact NE-CD 3.34Å; R156-E160 IonicContact NE-OE1 3.68Å; R156-E160 PolarHBondContact NE-OE1 2.89Å; R156-E160 IonicContact NE-OE2 3.9Å; R156-E160 PolarHBondContact NE-OE2 2.94Å; R156-E160 IonicContact NH2-OE1 2.76Å; R156-E160 PolarHBondContact NH2-OE1 3.16Å; R156-E160 IonicContact NH2-OE2 3.5Å; R156-E160 PolarHBondContact NH2-OE2 3.28Å; R156-E160 WeakPolarHBondContact O-CB 3.47Å; R156-E160 WeakPolarHBondContact O-CG 3.3Å; R156-E160 PolarHBondContact O-N 2.89Å
157V98Very high97.9Very high108 Ų10858.5 Ų58.566%0.65531%0.31SS*.Hα-helixtrans-59.9-43.2174.81720000111.7E153 L155 G161E153-V157 WeakPolarHBondContact O-CG2 3.46Å; E153-V157 PolarHBondContact O-N 3.31Å; E153-V157 VanDerWaalsContact O-N 3.1Å; L155-V157 PolarHBondContact O-N 2.74Å; V157-G161 PolarHBondContact O-N 3.25Å
158Y97.9Very high97.8Very high63 Ų6360.5 Ų60.525%0.24732%0.315CS..Iπ-helixtrans-65.8-43.8175.1173.1-97.4000112.6Y98 Q154 L155 R156 T162 C163Y98-Y158 AromaticContact CD2-CE1 3.93Å; Y98-Y158 HydrophobicContact CD2-CE1 3.93Å; Y98-Y158 AromaticContact CE2-CE1 3.83Å; Y98-Y158 HydrophobicContact CE2-CE1 3.83Å; Q154-Y158 PolarHBondContact O-N 2.94Å; L155-Y158 PolarHBondContact O-N 3.04Å; R156-Y158 VanDerWaalsContact C-N 3.35Å; R156-Y158 PolarHBondContact O-N 2.81Å; Y158-T162 HydrophobicContact CD2-CG2 4.05Å; Y158-T162 HydrophobicContact CE2-CG2 3.99Å; Y158-T162 PolarHBondContact O-N 3.46Å; Y158-C163 HydrophobicContact CD1-CB 4.34Å; Y158-C163 HydrophobicContact CE1-CB 3.93Å; Y158-C163 VanDerWaalsContact O-CB 3.23Å; Y158-C163 WeakPolarHBondContact O-CB 3.45Å; Y158-C163 PolarHBondContact O-N 2.7Å
159L98.5Very high97.7Very high2 Ų262.4 Ų62.41%0.0130%0.304CS..Iπ-helixtrans-73.5-42.9-173.6-71171.9000113.1G99 F108 L125 L129 L155 R156G99-L159 VanDerWaalsContact O-CD2 3.24Å; G99-L159 WeakPolarHBondContact O-CD2 3.43Å; F108-L159 WeakPolarHBondContact CD2-O 3.5Å; F108-L159 HydrophobicContact CE2-CB 4.36Å; F108-L159 WeakPolarHBondContact CE2-O 3.49Å; L125-L159 HydrophobicContact CD2-CD1 3.95Å; L129-L159 HydrophobicContact CD2-CD1 4.14Å; L155-L159 WeakPolarHBondContact O-CB 3.5Å; L155-L159 WeakPolarHBondContact O-CG 3.48Å; L155-L159 PolarHBondContact O-N 2.88Å; R156-L159 PolarHBondContact O-N 3.5Å
160E98.1Very high97.7Very high71 Ų7159.9 Ų59.933%0.33228%0.283SS..Iπ-helixtrans-77.3-30.1179.1-66-178167.300112.6F108 L129 R156F108-E160 HydrophobicContact CD1-CG 4.13Å; F108-E160 HydrophobicContact CE1-CG 3.96Å; F108-E160 HydrophobicContact CE2-CG 4.4Å; F108-E160 HydrophobicContact CG-CG 4.42Å; F108-E160 HydrophobicContact CZ-CG 4.08Å; L129-E160 HydrophobicContact CD1-CG 3.88Å; R156-E160 HydrophobicContact CG-CG 4.08Å; R156-E160 IonicContact CZ-OE1 3.97Å; R156-E160 IonicContact CZ-OE2 3.86Å; R156-E160 VanDerWaalsContact CZ-OE2 3.27Å; R156-E160 VanDerWaalsContact NE-CD 3.34Å; R156-E160 IonicContact NE-OE1 3.68Å; R156-E160 PolarHBondContact NE-OE1 2.89Å; R156-E160 IonicContact NE-OE2 3.9Å; R156-E160 PolarHBondContact NE-OE2 2.94Å; R156-E160 IonicContact NH2-OE1 2.76Å; R156-E160 PolarHBondContact NH2-OE1 3.16Å; R156-E160 IonicContact NH2-OE2 3.5Å; R156-E160 PolarHBondContact NH2-OE2 3.28Å; R156-E160 WeakPolarHBondContact O-CB 3.47Å; R156-E160 WeakPolarHBondContact O-CG 3.3Å; R156-E160 PolarHBondContact O-N 2.89Å
161G97.8Very high97.6Very high27 Ų2754.7 Ų54.728%0.27826%0.259SS..Iπ-helixtrans-104.2-93.1-178.700000113.2V157 C163 V164 E165V157-G161 PolarHBondContact O-N 3.25Å; G161-C163 VanDerWaalsContact C-N 3.26Å; G161-C163 PolarHBondContact O-N 2.79Å; G161-C163 VanDerWaalsContact O-N 3.09Å; G161-V164 WeakPolarHBondContact O-CA 3.39Å; G161-V164 WeakPolarHBondContact O-CB 3.19Å; G161-V164 PolarHBondContact O-N 3.27Å; G161-E165 PolarHBondContact O-N 3.48Å
162T97.6Very high97.4Very high52 Ų5258.7 Ų58.732%0.31928%0.276SS..Iπ-helixtrans-53.6-36.1-168-57.30000114.6Y158 E165 W166Y158-T162 HydrophobicContact CD2-CG2 4.05Å; Y158-T162 HydrophobicContact CE2-CG2 3.99Å; Y158-T162 PolarHBondContact O-N 3.46Å; T162-E165 WeakPolarHBondContact CA-OE2 3.44Å; T162-E165 PolarHBondContact O-N 2.75Å; T162-W166 PolarHBondContact O-N 2.9Å
163C98.4Very high97.3Very high0 Ų060.4 Ų60.40%028%0.284CS..Hα-helixtrans-63.1-44.5175.7-174.80000111.8M4 C100 Y158 G161 W166 L167M4-C163 HydrophobicContact CE-CB 4.11Å; M4-C163 WeakPolarHBondContact CE-O 3.5Å; M4-C163 WeakPolarHBondContact CE-SG 3.45Å; C100-C163 HydrophobicContact CB-CB 3.87Å; C100-C163 WeakPolarHBondContact CB-SG 3.33Å; C100-C163 PolarHBondContact N-SG 2.81Å; C100-C163 VanDerWaalsContact N-SG 3.37Å; C100-C163 WeakPolarHBondContact SG-CB 3.33Å; C100-C163 CovalentContact SG-SG 2.03Å; C100-C163 PolarHBondContact SG-SG 3.01Å; Y158-C163 HydrophobicContact CD1-CB 4.34Å; Y158-C163 HydrophobicContact CE1-CB 3.93Å; Y158-C163 VanDerWaalsContact O-CB 3.23Å; Y158-C163 WeakPolarHBondContact O-CB 3.45Å; Y158-C163 PolarHBondContact O-N 2.7Å; G161-C163 VanDerWaalsContact C-N 3.26Å; G161-C163 PolarHBondContact O-N 2.79Å; G161-C163 VanDerWaalsContact O-N 3.09Å; C163-W166 PolarHBondContact O-N 2.81Å; C163-L167 WeakPolarHBondContact O-CB 3.28Å; C163-L167 PolarHBondContact O-N 3.5Å
164V98.3Very high97.2Very high7 Ų754.9 Ų54.94%0.04226%0.259CS..Hα-helixtrans-66.6-38.3176.9173.80000111.3V102 F108 G161 R168V102-V164 HydrophobicContact CG1-CB 4.39Å; V102-V164 HydrophobicContact CG1-CG1 3.93Å; V102-V164 HydrophobicContact CG1-CG2 3.93Å; F108-V164 HydrophobicContact CB-CG2 4.1Å; F108-V164 HydrophobicContact CD2-CG2 3.77Å; F108-V164 HydrophobicContact CG-CG2 4.44Å; G161-V164 WeakPolarHBondContact O-CA 3.39Å; G161-V164 WeakPolarHBondContact O-CB 3.19Å; G161-V164 PolarHBondContact O-N 3.27Å; V164-R168 WeakPolarHBondContact O-CB 3.09Å; V164-R168 VanDerWaalsContact O-CG 3.25Å; V164-R168 WeakPolarHBondContact O-CG 3.45Å; V164-R168 PolarHBondContact O-N 2.89Å
165E97.8Very high97Very high121 Ų12152.7 Ų52.757%0.56525%0.247SC*.Hα-helixtrans-62.6-47.6176.7-65.9173.2149.600112G161 T162 R169G161-E165 PolarHBondContact O-N 3.48Å; T162-E165 WeakPolarHBondContact CA-OE2 3.44Å; T162-E165 PolarHBondContact O-N 2.75Å; E165-R169 PolarHBondContact O-N 2.73Å; E165-R169 VanDerWaalsContact O-N 3.08Å
166W97.7Very high96.7Very high65 Ų6560.2 Ų60.225%0.24628%0.282CS..Hα-helixtrans-66.6-42.2176.1-78.6108.4000112.6M4 Y58 T162 C163 R168 R169 Y170M4-W166 HydrophobicContact CE-CB 4.04Å; M4-W166 HydrophobicContact SD-CB 4.36Å; Y58-W166 AromaticContact CD2-CH2 3.62Å; Y58-W166 HydrophobicContact CD2-CH2 3.62Å; Y58-W166 HydrophobicContact CD2-CZ2 4.41Å; Y58-W166 AromaticContact CD2-CZ3 3.77Å; Y58-W166 HydrophobicContact CD2-CZ3 3.77Å; Y58-W166 HydrophobicContact CE2-CE3 4.22Å; Y58-W166 AromaticContact CE2-CH2 3.94Å; Y58-W166 HydrophobicContact CE2-CH2 3.94Å; Y58-W166 AromaticContact CE2-CZ3 3.7Å; Y58-W166 HydrophobicContact CE2-CZ3 3.7Å; T162-W166 PolarHBondContact O-N 2.9Å; C163-W166 PolarHBondContact O-N 2.81Å; W166-R168 PolarHBondContact O-N 3.1Å; W166-R169 PolarHBondContact O-N 2.96Å; W166-Y170 HydrophobicContact CB-CE2 4.08Å; W166-Y170 HydrophobicContact CD2-CE1 4.48Å; W166-Y170 HydrophobicContact CE3-CD1 4.36Å; W166-Y170 AromaticContact CE3-CE1 3.48Å; W166-Y170 HydrophobicContact CE3-CE1 3.48Å; W166-Y170 VanDerWaalsContact CE3-CE1 3.48Å; W166-Y170 AromaticContact CE3-CZ 3.62Å; W166-Y170 HydrophobicContact CZ3-CE1 4.01Å; W166-Y170 WeakPolarHBondContact O-CB 3.33Å; W166-Y170 WeakPolarHBondContact O-CD2 3.45Å; W166-Y170 PolarHBondContact O-N 2.86Å
167L97.9Very high96.4Very high0 Ų058.8 Ų58.80%028%0.282CS..Hα-helixtrans-59.5-44.4176.6175.452.6000111.7S3 M4 V27 V102 C163 Y170 L171S3-L167 WeakPolarHBondContact O-CD1 3.49Å; M4-L167 HydrophobicContact CB-CB 4.09Å; M4-L167 HydrophobicContact CB-CD1 4.01Å; M4-L167 HydrophobicContact CB-CD2 4.2Å; M4-L167 HydrophobicContact CB-CG 4.32Å; V27-L167 HydrophobicContact CG1-CD1 3.72Å; V27-L167 HydrophobicContact CG2-CD1 4.36Å; V102-L167 HydrophobicContact CB-CD2 4.47Å; V102-L167 HydrophobicContact CG1-CD2 3.99Å; V102-L167 HydrophobicContact CG2-CD2 3.77Å; V102-L167 HydrophobicContact CG2-CG 4.34Å; C163-L167 WeakPolarHBondContact O-CB 3.28Å; C163-L167 PolarHBondContact O-N 3.5Å; L167-Y170 PolarHBondContact O-N 2.8Å; L167-L171 HydrophobicContact CD1-CD1 3.41Å; L167-L171 VanDerWaalsContact CD1-CD1 3.41Å; L167-L171 HydrophobicContact CD1-CG 3.99Å; L167-L171 HydrophobicContact CG-CD1 3.92Å; L167-L171 WeakPolarHBondContact O-CB 3.24Å; L167-L171 WeakPolarHBondContact O-CG 3.31Å; L167-L171 PolarHBondContact O-N 2.78Å
168R96.1Very high96.1Very high116 Ų11653.9 Ų53.944%0.43825%0.252SS..Hα-helixtrans-60-45173.3-72.9169.2-179.9-173.21.5112.3W106 V164 W166 L171 E172W106-R168 HydrophobicContact CE3-CG 3.87Å; W106-R168 HydrophobicContact CZ3-CG 4.48Å; W106-R168 PolarHBondContact O-NE 3.46Å; W106-R168 PolarHBondContact O-NH2 3.13Å; V164-R168 WeakPolarHBondContact O-CB 3.09Å; V164-R168 VanDerWaalsContact O-CG 3.25Å; V164-R168 WeakPolarHBondContact O-CG 3.45Å; V164-R168 PolarHBondContact O-N 2.89Å; W166-R168 PolarHBondContact O-N 3.1Å; R168-L171 PolarHBondContact O-N 3.47Å; R168-E172 PolarHBondContact O-N 3.39Å; R168-E172 VanDerWaalsContact O-N 3.09Å
169R96.4Very high95.7Very high123 Ų12354.6 Ų54.646%0.46426%0.258SS..Hα-helixtrans-60.9-48.9177.4-179.8179173.898.8-5.2111.3E54 E165 W166 L171 E172 N173E54-R169 IonicContact OE1-CZ 2.74Å; E54-R169 IonicContact OE1-NE 3.37Å; E54-R169 PolarHBondContact OE1-NE 3.17Å; E54-R169 IonicContact OE1-NH2 3.2Å; E54-R169 PolarHBondContact OE1-NH2 2.82Å; E54-R169 IonicContact OE2-CZ 2.77Å; E54-R169 IonicContact OE2-NE 2.75Å; E54-R169 PolarHBondContact OE2-NE 3.11Å; E54-R169 IonicContact OE2-NH2 3.16Å; E54-R169 PolarHBondContact OE2-NH2 3.14Å; E165-R169 PolarHBondContact O-N 2.73Å; E165-R169 VanDerWaalsContact O-N 3.08Å; W166-R169 PolarHBondContact O-N 2.96Å; R169-L171 VanDerWaalsContact C-N 3.28Å; R169-L171 PolarHBondContact O-N 3.16Å; R169-E172 PolarHBondContact O-N 3.13Å; R169-N173 WeakPolarHBondContact O-CB 3.37Å; R169-N173 PolarHBondContact O-N 2.86Å; R169-N173 PolarHBondContact O-OD1 3.39Å; R169-N173 VanDerWaalsContact O-OD1 3.1Å
170Y97.1Very high95.5Very high1 Ų157.9 Ų57.90%0.00427%0.27CS..Hα-helixtrans-62.4-34.9178.4-62.4-22000112.6M4 V27 F32 W50 I51 Y58 W166 L167 N173 G174 L178M4-Y170 HydrophobicContact SD-CD2 3.87Å; M4-Y170 HydrophobicContact SD-CE2 3.5Å; M4-Y170 VanDerWaalsContact SD-CE2 3.5Å; V27-Y170 HydrophobicContact CG2-CD2 3.89Å; V27-Y170 HydrophobicContact CG2-CG 4.48Å; F32-Y170 HydrophobicContact CD2-CE2 4.34Å; F32-Y170 HydrophobicContact CE1-CE2 4.44Å; F32-Y170 HydrophobicContact CE2-CD2 4.06Å; F32-Y170 AromaticContact CE2-CE2 3.46Å; F32-Y170 HydrophobicContact CE2-CE2 3.46Å; F32-Y170 VanDerWaalsContact CE2-CE2 3.46Å; F32-Y170 AromaticContact CE2-CZ 3.76Å; F32-Y170 HydrophobicContact CZ-CD2 4.06Å; F32-Y170 AromaticContact CZ-CE2 3.52Å; F32-Y170 HydrophobicContact CZ-CE2 3.52Å; W50-Y170 HydrophobicContact CH2-CG 4.24Å; W50-Y170 AromaticContact CZ3-CD1 3.97Å; W50-Y170 HydrophobicContact CZ3-CD1 3.97Å; W50-Y170 HydrophobicContact CZ3-CD2 4.47Å; W50-Y170 AromaticContact CZ3-CG 3.76Å; W50-Y170 HydrophobicContact CZ3-CG 3.76Å; I51-Y170 HydrophobicContact CD1-CD1 3.69Å; I51-Y170 HydrophobicContact CD1-CE1 3.35Å; Y58-Y170 HydrophobicContact CE2-CE1 4.35Å; Y58-Y170 VanDerWaalsContact CE2-OH 3.31Å; Y58-Y170 WeakPolarHBondContact CE2-OH 3.38Å; Y58-Y170 PolarHBondContact OH-OH 3.04Å; W166-Y170 HydrophobicContact CB-CE2 4.08Å; W166-Y170 HydrophobicContact CD2-CE1 4.48Å; W166-Y170 HydrophobicContact CE3-CD1 4.36Å; W166-Y170 AromaticContact CE3-CE1 3.48Å; W166-Y170 HydrophobicContact CE3-CE1 3.48Å; W166-Y170 VanDerWaalsContact CE3-CE1 3.48Å; W166-Y170 AromaticContact CE3-CZ 3.62Å; W166-Y170 HydrophobicContact CZ3-CE1 4.01Å; W166-Y170 WeakPolarHBondContact O-CB 3.33Å; W166-Y170 WeakPolarHBondContact O-CD2 3.45Å; W166-Y170 PolarHBondContact O-N 2.86Å; L167-Y170 PolarHBondContact O-N 2.8Å; Y170-N173 PolarHBondContact O-N 3.09Å; Y170-G174 PolarHBondContact O-N 3.37Å; Y170-L178 WeakPolarHBondContact O-CD1 3.34Å
171L95.3Very high95.3Very high0 Ų057.6 Ų57.60%027%0.273CS..Hα-helixtrans-76.3-24.9178.7-77.8167.1000114.6Q2 V27 W106 L167 R168 R169 K175 L178 Q179Q2-L171 HydrophobicContact CB-CD1 3.58Å; Q2-L171 HydrophobicContact CG-CD1 3.79Å; V27-L171 HydrophobicContact CG1-CD2 3.89Å; V27-L171 HydrophobicContact CG1-CG 4.06Å; W106-L171 HydrophobicContact CH2-CB 4.03Å; W106-L171 HydrophobicContact CH2-CD1 4Å; W106-L171 HydrophobicContact CZ3-CB 4.15Å; W106-L171 HydrophobicContact CZ3-CD1 3.59Å; L167-L171 HydrophobicContact CD1-CD1 3.41Å; L167-L171 VanDerWaalsContact CD1-CD1 3.41Å; L167-L171 HydrophobicContact CD1-CG 3.99Å; L167-L171 HydrophobicContact CG-CD1 3.92Å; L167-L171 WeakPolarHBondContact O-CB 3.24Å; L167-L171 WeakPolarHBondContact O-CG 3.31Å; L167-L171 PolarHBondContact O-N 2.78Å; R168-L171 PolarHBondContact O-N 3.47Å; R169-L171 VanDerWaalsContact C-N 3.28Å; R169-L171 PolarHBondContact O-N 3.16Å; L171-K175 VanDerWaalsContact O-CA 3.3Å; L171-K175 WeakPolarHBondContact O-CA 3.32Å; L171-K175 PolarHBondContact O-N 3.18Å; L171-L178 HydrophobicContact CD2-CB 3.65Å; L171-L178 HydrophobicContact CD2-CD1 3.76Å; L171-L178 HydrophobicContact CD2-CG 4.33Å; L171-L178 HydrophobicContact CG-CD1 4.42Å; L171-Q179 HydrophobicContact CD2-CG 4.35Å; L171-Q179 PolarHBondContact O-NE2 2.95Å
172E94.9Very high95.3Very high112 Ų11258.7 Ų58.752%0.52327%0.273SS..Hα-helixtrans-80.7-40.7167.3-164.963.1-155.200111R168 R169 G174 K175R168-E172 PolarHBondContact O-N 3.39Å; R168-E172 VanDerWaalsContact O-N 3.09Å; R169-E172 PolarHBondContact O-N 3.13Å; E172-G174 PolarHBondContact O-N 2.87Å; E172-K175 WeakPolarHBondContact O-CB 3.38Å; E172-K175 IonicContact OE1-NZ 3.92Å; E172-K175 PolarHBondContact OE1-NZ 3.48Å; E172-K175 IonicContact OE2-NZ 3.04Å; E172-K175 PolarHBondContact OE2-NZ 3.43Å
173N95.7Very high95.3Very high43 Ų4358.4 Ų58.423%0.2328%0.276CS..Hα-helixtrans-57-47.5173.6-71.68.1000112.1W50 Q53 E54 R169 Y170W50-N173 HydrophobicContact CE3-CB 4.37Å; Q53-N173 PolarHBondContact NE2-ND2 3.18Å; Q53-N173 PolarHBondContact NE2-OD1 2.89Å; E54-N173 PolarHBondContact OE1-ND2 3.46Å; R169-N173 WeakPolarHBondContact O-CB 3.37Å; R169-N173 PolarHBondContact O-N 2.86Å; R169-N173 PolarHBondContact O-OD1 3.39Å; R169-N173 VanDerWaalsContact O-OD1 3.1Å; Y170-N173 PolarHBondContact O-N 3.09Å
174G95.2Very high95.3Very high2 Ų258.9 Ų58.92%0.02128%0.278CS..THydrogen-bonded Turntrans-100.416.4-173.300000114.8W50 Y170 E172 E176 T177 L178W50-G174 VanDerWaalsContact CB-CA 3.43Å; Y170-G174 PolarHBondContact O-N 3.37Å; E172-G174 PolarHBondContact O-N 2.87Å; G174-E176 VanDerWaalsContact C-N 3.34Å; G174-E176 PolarHBondContact O-N 2.9Å; G174-T177 PolarHBondContact O-N 3.09Å; G174-L178 WeakPolarHBondContact O-CB 3.5Å; G174-L178 WeakPolarHBondContact O-CG 3.42Å; G174-L178 PolarHBondContact O-N 2.85Å
175K93.1Very high95.3Very high89 Ų8965 Ų6539%0.38730%0.304SS..Hα-helixtrans-45-50.6-170.4-167.8170.1-163.6146.10114.4L171 E172 T177 Q179L171-K175 VanDerWaalsContact O-CA 3.3Å; L171-K175 WeakPolarHBondContact O-CA 3.32Å; L171-K175 PolarHBondContact O-N 3.18Å; E172-K175 WeakPolarHBondContact O-CB 3.38Å; E172-K175 IonicContact OE1-NZ 3.92Å; E172-K175 PolarHBondContact OE1-NZ 3.48Å; E172-K175 IonicContact OE2-NZ 3.04Å; E172-K175 PolarHBondContact OE2-NZ 3.43Å; K175-T177 PolarHBondContact O-N 2.86Å; K175-Q179 WeakPolarHBondContact O-CB 3.27Å; K175-Q179 PolarHBondContact O-N 2.87Å
176E91.6Very high95.2Very high182 Ų18261 Ų6185%0.8529%0.289SS*.Hα-helixtrans-65.7-20.2-179.4-59-174.416100114.2G174G174-E176 VanDerWaalsContact C-N 3.34Å; G174-E176 PolarHBondContact O-N 2.9Å
177T91.2Very high95.1Very high51 Ų5161.8 Ų61.831%0.31330%0.295SS..Hα-helixtrans-104.3-36.9-179.1-53.90000112.7G174 K175 R180G174-T177 PolarHBondContact O-N 3.09Å; K175-T177 PolarHBondContact O-N 2.86Å; T177-R180 WeakPolarHBondContact O-CD 3.02Å; T177-R180 WeakPolarHBondContact O-CG 3.42Å; T177-R180 PolarHBondContact O-NE 3.03Å
178L91.9Very high95Very high4 Ų463.4 Ų63.42%0.02130%0.303CS..Hα-helixtrans-90.2-36.1-172.9-62.4172.2000112.5V27 T30 W50 Y170 L171 G174V27-L178 HydrophobicContact CB-CD1 4.37Å; V27-L178 HydrophobicContact CB-CD2 4.28Å; V27-L178 HydrophobicContact CG1-CD1 3.98Å; V27-L178 HydrophobicContact CG1-CD2 4.25Å; T30-L178 HydrophobicContact CG2-CD2 3.82Å; W50-L178 HydrophobicContact CD2-CD1 4.31Å; W50-L178 HydrophobicContact CH2-CD1 4.16Å; W50-L178 HydrophobicContact CZ2-CD1 3.67Å; W50-L178 HydrophobicContact CZ2-CD2 3.9Å; W50-L178 HydrophobicContact CZ2-CG 4.2Å; Y170-L178 WeakPolarHBondContact O-CD1 3.34Å; L171-L178 HydrophobicContact CD2-CB 3.65Å; L171-L178 HydrophobicContact CD2-CD1 3.76Å; L171-L178 HydrophobicContact CD2-CG 4.33Å; L171-L178 HydrophobicContact CG-CD1 4.42Å; G174-L178 WeakPolarHBondContact O-CB 3.5Å; G174-L178 WeakPolarHBondContact O-CG 3.42Å; G174-L178 PolarHBondContact O-N 2.85Å
179Q89.8Confident94.9Very high78 Ų7859.6 Ų59.636%0.36429%0.292SS..SBendtrans-97.713.2179.9-52.1179.525.800112.4L171 K175L171-Q179 HydrophobicContact CD2-CG 4.35Å; L171-Q179 PolarHBondContact O-NE2 2.95Å; K175-Q179 WeakPolarHBondContact O-CB 3.27Å; K175-Q179 PolarHBondContact O-N 2.87Å
180R93.5Very high94.8Very high72 Ų7257 Ų5727%0.27229%0.285SS..  trans-76161.917176.8-173.3169.5151.9-4.5110.7T177 D182 Y208 G238T177-R180 WeakPolarHBondContact O-CD 3.02Å; T177-R180 WeakPolarHBondContact O-CG 3.42Å; T177-R180 PolarHBondContact O-NE 3.03Å; R180-D182 WeakPolarHBondContact CD-OD2 3.24Å; R180-D182 IonicContact CZ-OD2 2.78Å; R180-D182 IonicContact NE-OD2 3.23Å; R180-D182 PolarHBondContact NE-OD2 2.83Å; R180-D182 IonicContact NH1-OD2 3.94Å; R180-D182 PolarHBondContact NH1-OD2 2.78Å; R180-D182 IonicContact NH2-OD2 3.47Å; R180-Y208 HydrophobicContact CG-CD1 3.68Å; R180-Y208 HydrophobicContact CG-CE1 4.13Å; R180-Y208 HydrophobicContact CG-CG 4.42Å; R180-Y208 WeakPolarHBondContact O-CD1 3.29Å; R180-G238 PolarHBondContact NH2-O 3.05Å
181T94.8Very high94.6Very high64 Ų6461 Ų6139%0.39330%0.304SS..  trans-139.9103.8171.5-24.20000109.3Y208 E263T181-Y208 CarbonylContact C-O 3.51Å; T181-Y208 WeakPolarHBondContact CA-O 3.44Å; T181-E263 HydrophobicContact CG2-CB 3.84Å; T181-E263 HydrophobicContact CG2-CG 4.04Å
182D96.4Very high94.4Very high51 Ų5164.8 Ų64.827%0.27334%0.335SS..BIsolated β-bridgetrans-92.9115.4-176.6-66.7-41.1000108.9R180 F207 Y208 H262R180-D182 WeakPolarHBondContact CD-OD2 3.24Å; R180-D182 IonicContact CZ-OD2 2.78Å; R180-D182 IonicContact NE-OD2 3.23Å; R180-D182 PolarHBondContact NE-OD2 2.83Å; R180-D182 IonicContact NH1-OD2 3.94Å; R180-D182 PolarHBondContact NH1-OD2 2.78Å; R180-D182 IonicContact NH2-OD2 3.47Å; D182-F207 WeakPolarHBondContact O-CA 3.23Å; D182-F207 VanDerWaalsContact O-CB 3.29Å; D182-F207 WeakPolarHBondContact O-CB 3.45Å; D182-Y208 PolarHBondContact N-O 3.43Å; D182-Y208 PolarHBondContact O-N 2.71Å; D182-Y208 VanDerWaalsContact O-N 3.12Å; D182-H262 PolarHBondContact O-CE1 3.05Å
183A97.8Very high94.1Very high46 Ų4663.8 Ų63.838%0.3834%0.337SS..  trans-70.1139.4-176.700000112.5K185 G264 L265A183-K185 PolarHBondContact O-N 2.66Å; A183-G264 WeakPolarHBondContact CB-O 3.42Å; A183-L265 HydrophobicContact CB-CD2 4.14Å
184P98.3Very high93.9Very high9 Ų964.2 Ų64.26%0.05834%0.343CS..  trans-64.5126.9-17825.7-35.2000112.8T186 A204 F207 I212 V260 H262 L265P184-T186 HydrophobicContact CB-CG2 4.09Å; P184-T186 HydrophobicContact CG-CG2 4.31Å; P184-T186 PolarHBondContact O-N 3.34Å; P184-T186 VanDerWaalsContact O-N 3.08Å; P184-A204 HydrophobicContact CB-CB 3.85Å; P184-F207 HydrophobicContact CB-CB 3.93Å; P184-F207 HydrophobicContact CB-CD1 3.94Å; P184-F207 HydrophobicContact CB-CG 4.2Å; P184-I212 HydrophobicContact CB-CD1 4.11Å; P184-I212 HydrophobicContact CG-CD1 4.16Å; P184-V260 HydrophobicContact CG-CG1 4.02Å; P184-H262 HydrophobicContact CG-CB 4.13Å; P184-L265 HydrophobicContact CG-CD1 3.83Å; P184-L265 HydrophobicContact CG-CD2 4.22Å; P184-L265 HydrophobicContact CG-CG 4.09Å
185K98Very high93.5Very high136 Ų13671.5 Ų71.559%0.59138%0.381SS*.EExtended strand (participates in β ladder)trans-74.595.5166.5-62.2172.1-165.9158.10108A183 L205 S206A183-K185 PolarHBondContact O-N 2.66Å; K185-L205 HydrophobicContact CB-CB 4.5Å; K185-L205 WeakPolarHBondContact CB-O 3.14Å; K185-L205 PolarHBondContact N-O 2.98Å; K185-L205 PolarHBondContact O-N 2.99Å; K185-L205 VanDerWaalsContact O-N 3.14Å; K185-S206 PolarHBondContact NZ-OG 3.21Å
186T97.5Very high93.4Very high38 Ų3874.2 Ų74.223%0.23340%0.395CS..EExtended strand (participates in β ladder)trans-93.2142.5-175.755.50000113.2P184 W203 A204 V260 L269 L271P184-T186 HydrophobicContact CB-CG2 4.09Å; P184-T186 HydrophobicContact CG-CG2 4.31Å; P184-T186 PolarHBondContact O-N 3.34Å; P184-T186 VanDerWaalsContact O-N 3.08Å; T186-W203 WeakPolarHBondContact CA-O 3.45Å; T186-A204 HydrophobicContact CG2-CB 4.41Å; T186-V260 HydrophobicContact CG2-CB 4.45Å; T186-V260 HydrophobicContact CG2-CG1 4.2Å; T186-V260 HydrophobicContact CG2-CG2 4.08Å; T186-L269 HydrophobicContact CG2-CD1 4.31Å; T186-L271 HydrophobicContact CG2-CD1 4.03Å
187H95.2Very high93.5Very high80 Ų8069.9 Ų69.937%0.3738%0.375SS..EExtended strand (participates in β ladder)trans-153167168.669.8-76.9000111W203H187-W203 AromaticContact CD2-CD1 3.96Å; H187-W203 VanDerWaalsContact CE1-CB 3.45Å; H187-W203 WeakPolarHBondContact CE1-CB 3.36Å; H187-W203 AromaticContact CE1-CD1 3.75Å; H187-W203 AromaticContact CE1-CG 3.53Å; H187-W203 PolarHBondContact N-O 2.92Å; H187-W203 AromaticContact NE2-CD1 3.44Å; H187-W203 AromaticContact NE2-CG 3.71Å; H187-W203 AromaticContact NE2-NE1 3.94Å; H187-W203 PolarHBondContact O-N 3.36Å
188M95.6Very high93.7Very high35 Ų3567.5 Ų67.517%0.17236%0.36CS..EExtended strand (participates in β ladder)trans-112.1145.7171.5-74.7-162.8175.200111.8R201 C202 W216 C258 L271 W273M188-R201 WeakPolarHBondContact CA-O 3.38Å; M188-C202 HydrophobicContact CE-CB 4.45Å; M188-W216 HydrophobicContact CE-CH2 3.23Å; M188-W216 HydrophobicContact CE-CZ2 4.05Å; M188-W216 HydrophobicContact CE-CZ3 3.61Å; M188-W216 HydrophobicContact SD-CH2 3.81Å; M188-C258 HydrophobicContact CE-CB 3.44Å; M188-C258 VanDerWaalsContact CE-CB 3.44Å; M188-L271 HydrophobicContact CE-CB 3.75Å; M188-L271 VanDerWaalsContact CE-O 3.23Å; M188-L271 WeakPolarHBondContact CE-O 3.48Å; M188-W273 VanDerWaalsContact SD-CA 3.59Å; M188-W273 HydrophobicContact SD-CB 3.8Å; M188-W273 PolarHBondContact SD-N 3.26Å
189T94.7Very high93.9Very high36 Ų3668.4 Ų68.422%0.22137%0.366CS..EExtended strand (participates in β ladder)trans-121.8134.9168.451.80000109.5H191 R201 W203T189-H191 PolarHBondContact OG1-NE2 2.81Å; T189-R201 PolarHBondContact N-O 2.93Å; T189-R201 PolarHBondContact O-N 2.81Å; T189-R201 PolarHBondContact OG1-O 3.1Å; T189-W203 PolarHBondContact OG1-NE1 2.92Å
190H94.3Very high94.2Very high67 Ų6764.7 Ų64.731%0.3135%0.349SS..EExtended strand (participates in β ladder)trans-111.3130.7176.7162.4-72.5000109.5A198 L200 W273H190-A198 VanDerWaalsContact NE2-CB 3.35Å; H190-A198 WeakPolarHBondContact NE2-CB 3.38Å; H190-L200 HydrophobicContact CB-CD2 3.94Å; H190-W273 HydrophobicContact CB-CZ2 4.17Å; H190-W273 VanDerWaalsContact CB-NE1 3.33Å; H190-W273 AromaticContact CD2-CZ2 3.91Å; H190-W273 AromaticContact CG-CE2 4Å; H190-W273 AromaticContact CG-CZ2 3.97Å
191H92.8Very high94.4Very high87 Ų8763.3 Ų63.340%0.40334%0.343SS..EExtended strand (participates in β ladder)trans-127.4115.7176.3-53.6-83000109.2T189 V193 A198 T199 R201T189-H191 PolarHBondContact OG1-NE2 2.81Å; H191-V193 PolarHBondContact O-N 2.94Å; H191-A198 CarbonylContact O-C 3.58Å; H191-A198 VanDerWaalsContact O-CA 3.28Å; H191-A198 WeakPolarHBondContact O-CA 3.41Å; H191-A198 WeakPolarHBondContact O-CB 3.28Å; H191-T199 PolarHBondContact N-O 3.37Å; H191-T199 PolarHBondContact O-N 2.96Å; H191-R201 PolarHBondContact CD2-NH1 3.48Å; H191-R201 PolarHBondContact NE2-NH1 3.1Å
192A91.2Very high94.6Very high79 Ų7960.2 Ų60.265%0.65332%0.324SS*.EExtended strand (participates in β ladder)trans-65.8133.5171.600000109.7
193V88.7Confident94.7Very high91 Ų9160.1 Ų60.155%0.55232%0.32SS*.  trans-105.1-37.5177.5-178.10000109.9H191 E197 T199H191-V193 PolarHBondContact O-N 2.94Å; V193-E197 PolarHBondContact N-O 3.21Å; V193-T199 WeakPolarHBondContact CG2-OG1 3.39Å
194S89.9Confident94.7Very high51 Ų5157.9 Ų57.936%0.35730%0.302SS..SBendtrans-150.6-178.8173.469.20000110.5H196 E197S194-H196 PolarHBondContact O-N 2.86Å; S194-H196 VanDerWaalsContact O-N 3.1Å; S194-H196 PolarHBondContact OG-N 2.77Å; S194-H196 VanDerWaalsContact OG-N 3.14Å; S194-E197 PolarHBondContact N-O 3.43Å; S194-E197 PolarHBondContact OG-N 3.44Å; S194-E197 VanDerWaalsContact OG-N 3.11Å
195D87.3Confident94.7Very high156 Ų15659.9 Ų59.983%0.83431%0.312SS*.SBendtrans-67.4-0.1170.4-61.1-34.7000113.5
196H91.6Very high94.7Very high145 Ų14555 Ų5567%0.67130%0.295SS*.SBendtrans-127.2-15.6-175.9-57-20.1000113.5S194 P249 S250S194-H196 PolarHBondContact O-N 2.86Å; S194-H196 VanDerWaalsContact O-N 3.1Å; S194-H196 PolarHBondContact OG-N 2.77Å; S194-H196 VanDerWaalsContact OG-N 3.14Å; H196-P249 CarbonylContact O-C 3.44Å; H196-P249 WeakPolarHBondContact O-CA 3.19Å; H196-S250 PolarHBondContact O-N 3.47Å; H196-S250 PolarHBondContact O-OG 2.95Å
197E94.1Very high94.7Very high92 Ų9253.1 Ų53.143%0.4328%0.283SS..EExtended strand (participates in β ladder)trans-143.1142.3-172.4-65.9-179.2166.100112.3V193 S194 V247 V248 S250V193-E197 PolarHBondContact N-O 3.21Å; S194-E197 PolarHBondContact N-O 3.43Å; S194-E197 PolarHBondContact OG-N 3.44Å; S194-E197 VanDerWaalsContact OG-N 3.11Å; E197-V247 HydrophobicContact CB-CG1 4.15Å; E197-V247 HydrophobicContact CG-CG1 4.38Å; E197-V248 WeakPolarHBondContact CA-O 3.44Å; E197-S250 PolarHBondContact N-OG 3.33Å
198A94.3Very high94.7Very high0 Ų049.5 Ų49.50%027%0.267CS..EExtended strand (participates in β ladder)trans-131.8151.917100000111H190 H191 V248H190-A198 VanDerWaalsContact NE2-CB 3.35Å; H190-A198 WeakPolarHBondContact NE2-CB 3.38Å; H191-A198 CarbonylContact O-C 3.58Å; H191-A198 VanDerWaalsContact O-CA 3.28Å; H191-A198 WeakPolarHBondContact O-CA 3.41Å; H191-A198 WeakPolarHBondContact O-CB 3.28Å; A198-V248 HydrophobicContact CB-CG2 4.4Å; A198-V248 PolarHBondContact N-O 3.25Å; A198-V248 PolarHBondContact O-N 3.18Å
199T96.2Very high94.7Very high23 Ų2348.9 Ų48.914%0.14127%0.265CS..EExtended strand (participates in β ladder)trans-92.4117.8166.5-51.10000109.2H191 V193 A245 V246H191-T199 PolarHBondContact N-O 3.37Å; H191-T199 PolarHBondContact O-N 2.96Å; V193-T199 WeakPolarHBondContact CG2-OG1 3.39Å; T199-A245 HydrophobicContact CG2-CB 3.85Å; T199-V246 WeakPolarHBondContact CA-O 3.31Å
200L96.8Very high94.8Very high1 Ų147.8 Ų47.81%0.00526%0.259CS..EExtended strand (participates in β ladder)trans-88.8127.9162.1-62.9-177.1000108.5H190 W216 A245 V246 V248 E253 W273H190-L200 HydrophobicContact CB-CD2 3.94Å; L200-W216 HydrophobicContact CB-CH2 3.57Å; L200-W216 HydrophobicContact CB-CZ2 3.84Å; L200-W216 HydrophobicContact CB-CZ3 4.45Å; L200-W216 HydrophobicContact CD1-CH2 3.96Å; L200-W216 HydrophobicContact CD1-CZ3 4.18Å; L200-W216 HydrophobicContact CG-CH2 4.43Å; L200-A245 CarbonylContact O-C 3.56Å; L200-A245 WeakPolarHBondContact O-CA 3.02Å; L200-V246 HydrophobicContact CB-CG1 4.37Å; L200-V246 PolarHBondContact N-O 3.12Å; L200-V246 PolarHBondContact O-N 3.22Å; L200-V248 HydrophobicContact CD1-CG1 3.98Å; L200-V248 HydrophobicContact CD1-CG2 4.12Å; L200-V248 HydrophobicContact CG-CG1 4.11Å; L200-V248 HydrophobicContact CG-CG2 3.88Å; L200-E253 HydrophobicContact CD1-CB 4.08Å; L200-E253 HydrophobicContact CD2-CB 4.49Å; L200-E253 HydrophobicContact CD2-CG 4.31Å; L200-W273 HydrophobicContact CD1-CB 4.23Å; L200-W273 HydrophobicContact CD2-CB 3.92Å; L200-W273 HydrophobicContact CD2-CD2 4.3Å; L200-W273 HydrophobicContact CD2-CG 3.83Å
201R97.5Very high94.9Very high42 Ų4251.4 Ų51.416%0.15828%0.277CS..EExtended strand (participates in β ladder)trans-121.7121.4173.6178.9-179.5-66.2102.93.7110.2M188 T189 H191 W203 E228 W243 A245M188-R201 WeakPolarHBondContact CA-O 3.38Å; T189-R201 PolarHBondContact N-O 2.93Å; T189-R201 PolarHBondContact O-N 2.81Å; T189-R201 PolarHBondContact OG1-O 3.1Å; H191-R201 PolarHBondContact CD2-NH1 3.48Å; H191-R201 PolarHBondContact NE2-NH1 3.1Å; R201-W203 VanDerWaalsContact CD-CE2 3.48Å; R201-W203 VanDerWaalsContact CD-CZ2 3.44Å; R201-W203 HydrophobicContact CG-CZ2 4.42Å; R201-E228 IonicContact NH2-OE2 3.17Å; R201-W243 HydrophobicContact CG-CB 4.04Å; R201-W243 HydrophobicContact CG-CD2 4.06Å; R201-W243 HydrophobicContact CG-CE3 3.75Å; R201-W243 HydrophobicContact CG-CG 4.24Å; R201-W243 HydrophobicContact CG-CZ3 4.48Å; R201-W243 VanDerWaalsContact NE-CE3 3.32Å; R201-W243 VanDerWaalsContact NE-CZ3 3.3Å; R201-A245 HydrophobicContact CB-CB 3.84Å; R201-A245 HydrophobicContact CG-CB 4.03Å
202C97.8Very high95.2Very high0 Ų047.7 Ų47.70%026%0.259CS..EExtended strand (participates in β ladder)trans-93.8125.2175.7-178.80000109.2M188 W216 W243 A244 C258M188-C202 HydrophobicContact CE-CB 4.45Å; C202-W216 HydrophobicContact CB-CH2 4.48Å; C202-W216 HydrophobicContact CB-CZ2 3.68Å; C202-W243 CarbonylContact O-C 3.58Å; C202-W243 WeakPolarHBondContact O-CA 3.01Å; C202-W243 WeakPolarHBondContact O-CB 3.4Å; C202-A244 PolarHBondContact N-O 3.35Å; C202-A244 PolarHBondContact O-N 2.9Å; C202-C258 HydrophobicContact CB-CB 3.46Å; C202-C258 VanDerWaalsContact CB-CB 3.46Å; C202-C258 WeakPolarHBondContact CB-SG 3.49Å; C202-C258 WeakPolarHBondContact SG-CB 3.38Å; C202-C258 CovalentContact SG-SG 2.03Å; C202-C258 PolarHBondContact SG-SG 3.43Å
203W98.3Very high95.5Very high48 Ų4846.7 Ų46.718%0.18225%0.245CC..EExtended strand (participates in β ladder)trans-109.9143.7-178.9-65.286.4000111.1T186 H187 T189 R201 L205 W243T186-W203 WeakPolarHBondContact CA-O 3.45Å; H187-W203 AromaticContact CD2-CD1 3.96Å; H187-W203 VanDerWaalsContact CE1-CB 3.45Å; H187-W203 WeakPolarHBondContact CE1-CB 3.36Å; H187-W203 AromaticContact CE1-CD1 3.75Å; H187-W203 AromaticContact CE1-CG 3.53Å; H187-W203 PolarHBondContact N-O 2.92Å; H187-W203 AromaticContact NE2-CD1 3.44Å; H187-W203 AromaticContact NE2-CG 3.71Å; H187-W203 AromaticContact NE2-NE1 3.94Å; H187-W203 PolarHBondContact O-N 3.36Å; T189-W203 PolarHBondContact OG1-NE1 2.92Å; R201-W203 VanDerWaalsContact CD-CE2 3.48Å; R201-W203 VanDerWaalsContact CD-CZ2 3.44Å; R201-W203 HydrophobicContact CG-CZ2 4.42Å; W203-L205 HydrophobicContact CE3-CD2 4.11Å; W203-W243 HydrophobicContact CD2-CB 3.96Å; W203-W243 HydrophobicContact CD2-CG 4.38Å; W203-W243 HydrophobicContact CE3-CB 3.86Å; W203-W243 AromaticContact CE3-CD1 3.68Å; W203-W243 HydrophobicContact CE3-CG 4.03Å; W203-W243 HydrophobicContact CG-CB 4.31Å; W203-W243 AromaticContact CH2-CD1 3.82Å; W203-W243 HydrophobicContact CH2-CG 4.4Å; W203-W243 HydrophobicContact CZ3-CB 4.38Å; W203-W243 AromaticContact CZ3-CD1 3.34Å; W203-W243 HydrophobicContact CZ3-CG 4.05Å; W203-W243 AromaticContact CZ3-NE1 3.97Å
204A98.5Very high95.9Very high0 Ų042.6 Ų42.60%022%0.22CC..EExtended strand (participates in β ladder)trans-123.1127161.200000108.3P184 T186 F207 I212 L214 Q241 K242P184-A204 HydrophobicContact CB-CB 3.85Å; T186-A204 HydrophobicContact CG2-CB 4.41Å; A204-F207 HydrophobicContact CB-CD1 4.04Å; A204-F207 HydrophobicContact CB-CE1 3.77Å; A204-F207 WeakPolarHBondContact O-CE1 3.33Å; A204-I212 HydrophobicContact CB-CD1 3.77Å; A204-L214 HydrophobicContact CB-CD1 4.1Å; A204-L214 HydrophobicContact CB-CD2 4.36Å; A204-Q241 WeakPolarHBondContact O-CA 3.44Å; A204-K242 PolarHBondContact N-O 2.93Å; A204-K242 PolarHBondContact O-N 2.88Å; A204-K242 VanDerWaalsContact O-O 3.04Å
205L98.3Very high96.3Very high50 Ų5042 Ų4226%0.26222%0.215SC..EExtended strand (participates in β ladder)trans-132.4154.7-176.5-59.6178.4000111.4K185 W203 F207 Q241K185-L205 HydrophobicContact CB-CB 4.5Å; K185-L205 WeakPolarHBondContact CB-O 3.14Å; K185-L205 PolarHBondContact N-O 2.98Å; K185-L205 PolarHBondContact O-N 2.99Å; K185-L205 VanDerWaalsContact O-N 3.14Å; W203-L205 HydrophobicContact CE3-CD2 4.11Å; L205-F207 PolarHBondContact O-N 3.11Å; L205-Q241 HydrophobicContact CD2-CB 3.59Å
206S97.6Very high96.8Very high33 Ų3334.7 Ų34.723%0.23118%0.176CC..EExtended strand (participates in β ladder)trans54.544.4174.9-56.20000114.9K185 T239 F240K185-S206 PolarHBondContact NZ-OG 3.21Å; S206-T239 WeakPolarHBondContact CA-OG1 3.28Å; S206-F240 PolarHBondContact N-O 2.9Å
207F97.8Very high97Very high0 Ų029.7 Ų29.70%015%0.152CC..EExtended strand (participates in β ladder)trans-109.4159.4176.559.4-91.1000113.4D182 P184 A204 L205 P209 I212 T232 T239 F240 K242 H262D182-F207 WeakPolarHBondContact O-CA 3.23Å; D182-F207 VanDerWaalsContact O-CB 3.29Å; D182-F207 WeakPolarHBondContact O-CB 3.45Å; P184-F207 HydrophobicContact CB-CB 3.93Å; P184-F207 HydrophobicContact CB-CD1 3.94Å; P184-F207 HydrophobicContact CB-CG 4.2Å; A204-F207 HydrophobicContact CB-CD1 4.04Å; A204-F207 HydrophobicContact CB-CE1 3.77Å; A204-F207 WeakPolarHBondContact O-CE1 3.33Å; L205-F207 PolarHBondContact O-N 3.11Å; F207-P209 WeakPolarHBondContact CD2-O 3.23Å; F207-I212 HydrophobicContact CD1-CD1 3.93Å; F207-I212 HydrophobicContact CD2-CB 4.37Å; F207-I212 HydrophobicContact CD2-CD1 3.98Å; F207-I212 HydrophobicContact CE1-CD1 3.82Å; F207-I212 HydrophobicContact CE1-CG2 4.47Å; F207-I212 HydrophobicContact CE2-CB 3.82Å; F207-I212 HydrophobicContact CE2-CD1 3.89Å; F207-I212 HydrophobicContact CE2-CG1 4.45Å; F207-I212 HydrophobicContact CE2-CG2 3.57Å; F207-I212 HydrophobicContact CG-CD1 4.02Å; F207-I212 HydrophobicContact CZ-CB 4.2Å; F207-I212 HydrophobicContact CZ-CD1 3.83Å; F207-I212 HydrophobicContact CZ-CG2 3.55Å; F207-T232 HydrophobicContact CE2-CG2 4.02Å; F207-T232 HydrophobicContact CZ-CG2 3.9Å; F207-T239 CarbonylContact O-C 3.39Å; F207-T239 WeakPolarHBondContact O-CA 3.29Å; F207-F240 WeakPolarHBondContact CD1-O 3.49Å; F207-F240 HydrophobicContact CD2-CB 3.86Å; F207-F240 HydrophobicContact CE1-CB 4.34Å; F207-F240 WeakPolarHBondContact CE1-O 3.46Å; F207-F240 HydrophobicContact CE2-CB 3.44Å; F207-F240 VanDerWaalsContact CE2-CB 3.44Å; F207-F240 HydrophobicContact CG-CB 4.44Å; F207-F240 HydrophobicContact CZ-CB 3.7Å; F207-F240 PolarHBondContact N-O 2.91Å; F207-F240 PolarHBondContact O-N 3.02Å; F207-K242 HydrophobicContact CE1-CB 4.39Å; F207-K242 HydrophobicContact CZ-CB 4.09Å; F207-H262 AromaticContact CD2-CD2 3.94Å; F207-H262 AromaticContact CD2-NE2 3.45Å; F207-H262 WeakPolarHBondContact CD2-NE2 3.23Å
208Y96.5Very high97.1Very high4 Ų428.7 Ų28.72%0.01615%0.145CC..BIsolated β-bridgetrans-154135.3174.7-179.1-84.2000109.2D29 T30 R180 T181 D182 G238 F240 H262D29-Y208 HydrophobicContact CB-CE2 4.45Å; T30-Y208 WeakPolarHBondContact OG1-CE2 3.4Å; T30-Y208 PolarHBondContact OG1-OH 3.31Å; T30-Y208 VanDerWaalsContact OG1-OH 3.08Å; R180-Y208 HydrophobicContact CG-CD1 3.68Å; R180-Y208 HydrophobicContact CG-CE1 4.13Å; R180-Y208 HydrophobicContact CG-CG 4.42Å; R180-Y208 WeakPolarHBondContact O-CD1 3.29Å; T181-Y208 CarbonylContact C-O 3.51Å; T181-Y208 WeakPolarHBondContact CA-O 3.44Å; D182-Y208 PolarHBondContact N-O 3.43Å; D182-Y208 PolarHBondContact O-N 2.71Å; D182-Y208 VanDerWaalsContact O-N 3.12Å; Y208-G238 WeakPolarHBondContact CD2-O 3.24Å; Y208-F240 HydrophobicContact CD2-CD2 4.37Å; Y208-F240 AromaticContact CD2-CE2 3.98Å; Y208-F240 HydrophobicContact CD2-CE2 3.98Å; Y208-F240 HydrophobicContact CE2-CE2 4.37Å; Y208-H262 PolarHBondContact N-CE1 3.41Å; Y208-H262 PolarHBondContact O-CE1 2.99Å; Y208-H262 PolarHBondContact O-NE2 3.06Å
209P95.4Very high97.1Very high22 Ų2233.4 Ų33.414%0.14317%0.17CC..SBendcis-71.9-178.82.532-38.1000113D29 F207 E211 H262D29-P209 WeakPolarHBondContact OD2-CB 3.32Å; F207-P209 WeakPolarHBondContact CD2-O 3.23Å; P209-E211 VanDerWaalsContact C-N 3.33Å; P209-H262 VanDerWaalsContact CD-NE2 3.33Å; P209-H262 WeakPolarHBondContact CD-NE2 3.39Å; P209-H262 PolarHBondContact O-NE2 3.25Å
210A96.8Very high96.9Very high12 Ų1234.6 Ų34.610%0.09919%0.186CC..SBendtrans-72.4-22.1-177.500000114.1D29 I212 T232 F240D29-A210 HydrophobicContact CB-CB 4.22Å; D29-A210 VanDerWaalsContact CG-CB 3.44Å; D29-A210 VanDerWaalsContact OD2-CB 3.29Å; D29-A210 WeakPolarHBondContact OD2-CB 3.11Å; D29-A210 PolarHBondContact OD2-N 3.1Å; A210-I212 PolarHBondContact O-N 2.75Å; A210-T232 HydrophobicContact CB-CG2 4.24Å; A210-T232 WeakPolarHBondContact O-CG2 3.41Å; A210-F240 HydrophobicContact CB-CD1 3.76Å; A210-F240 HydrophobicContact CB-CD2 3.75Å; A210-F240 HydrophobicContact CB-CE1 3.83Å; A210-F240 HydrophobicContact CB-CE2 3.81Å; A210-F240 HydrophobicContact CB-CG 3.75Å; A210-F240 HydrophobicContact CB-CZ 3.88Å
211E96.4Very high96.8Very high144 Ų14440.3 Ų40.367%0.67321%0.213SC*.  trans-67114.8-179.9-174.550.6-122.800110.9P209 H262P209-E211 VanDerWaalsContact C-N 3.33Å; E211-H262 PolarHBondContact O-CD2 2.9Å; E211-H262 VanDerWaalsContact O-CD2 3.26Å
212I97.8Very high96.7Very high8 Ų843 Ų434%0.04123%0.231CC..  trans-153.5134.3-176.3-163.5171.7000110.6P184 A204 F207 A210 L214 K242 V260 Q261 H262P184-I212 HydrophobicContact CB-CD1 4.11Å; P184-I212 HydrophobicContact CG-CD1 4.16Å; A204-I212 HydrophobicContact CB-CD1 3.77Å; F207-I212 HydrophobicContact CD1-CD1 3.93Å; F207-I212 HydrophobicContact CD2-CB 4.37Å; F207-I212 HydrophobicContact CD2-CD1 3.98Å; F207-I212 HydrophobicContact CE1-CD1 3.82Å; F207-I212 HydrophobicContact CE1-CG2 4.47Å; F207-I212 HydrophobicContact CE2-CB 3.82Å; F207-I212 HydrophobicContact CE2-CD1 3.89Å; F207-I212 HydrophobicContact CE2-CG1 4.45Å; F207-I212 HydrophobicContact CE2-CG2 3.57Å; F207-I212 HydrophobicContact CG-CD1 4.02Å; F207-I212 HydrophobicContact CZ-CB 4.2Å; F207-I212 HydrophobicContact CZ-CD1 3.83Å; F207-I212 HydrophobicContact CZ-CG2 3.55Å; A210-I212 PolarHBondContact O-N 2.75Å; I212-L214 HydrophobicContact CD1-CD1 3.79Å; I212-L214 HydrophobicContact CG1-CD1 3.75Å; I212-L214 HydrophobicContact CG2-CD1 4.29Å; I212-K242 HydrophobicContact CG2-CB 4.22Å; I212-K242 HydrophobicContact CG2-CD 3.49Å; I212-K242 VanDerWaalsContact CG2-CD 3.49Å; I212-V260 HydrophobicContact CD1-CG1 4.04Å; I212-V260 HydrophobicContact CG1-CG1 4.38Å; I212-Q261 WeakPolarHBondContact CG1-O 3.48Å; I212-H262 HydrophobicContact CD1-CB 4.21Å; I212-H262 HydrophobicContact CG1-CB 4.03Å
213T97.8Very high96.6Very high58 Ų5843.5 Ų43.536%0.35623%0.233SC..EExtended strand (participates in β ladder)trans-105.4122.4174.4-67.80000110.1T215 V260 Q261T213-T215 HydrophobicContact CG2-CG2 3.99Å; T213-V260 WeakPolarHBondContact O-CA 3.42Å; T213-Q261 PolarHBondContact N-O 3.21Å; T213-Q261 PolarHBondContact O-N 3.3Å
214L97.9Very high96Very high6 Ų646.1 Ų46.13%0.03126%0.255CS..EExtended strand (participates in β ladder)trans-116.1122.7169.8-89.961000107.9A204 I212 L229 K242 A244 H259 V260A204-L214 HydrophobicContact CB-CD1 4.1Å; A204-L214 HydrophobicContact CB-CD2 4.36Å; I212-L214 HydrophobicContact CD1-CD1 3.79Å; I212-L214 HydrophobicContact CG1-CD1 3.75Å; I212-L214 HydrophobicContact CG2-CD1 4.29Å; L214-L229 HydrophobicContact CB-CD1 4.05Å; L214-K242 HydrophobicContact CD1-CD 4.34Å; L214-K242 HydrophobicContact CD2-CB 4.38Å; L214-K242 HydrophobicContact CD2-CG 4.41Å; L214-A244 HydrophobicContact CB-CB 4.07Å; L214-A244 HydrophobicContact CD2-CB 4.26Å; L214-H259 WeakPolarHBondContact CA-O 3.45Å; L214-V260 HydrophobicContact CD1-CG1 3.98Å; L214-V260 HydrophobicContact CD1-CG2 4.34Å; L214-V260 HydrophobicContact CG-CG2 4.24Å
215T97.1Very high95.4Very high39 Ų3955.4 Ų55.424%0.23930%0.298CS..EExtended strand (participates in β ladder)trans-129.7153.2172.960.10000111.6T213 C258 H259T213-T215 HydrophobicContact CG2-CG2 3.99Å; T215-C258 CarbonylContact O-C 3.55Å; T215-C258 WeakPolarHBondContact O-CA 3.25Å; T215-H259 PolarHBondContact N-O 3.09Å; T215-H259 PolarHBondContact O-N 3.08Å
216W97.6Very high94.7Very high2 Ų258.3 Ų58.31%0.00831%0.314CS..EExtended strand (participates in β ladder)trans-106.9137.8169.4-82.3103.2000110.4M188 L200 C202 Q223 A244 V246 T257 C258M188-W216 HydrophobicContact CE-CH2 3.23Å; M188-W216 HydrophobicContact CE-CZ2 4.05Å; M188-W216 HydrophobicContact CE-CZ3 3.61Å; M188-W216 HydrophobicContact SD-CH2 3.81Å; L200-W216 HydrophobicContact CB-CH2 3.57Å; L200-W216 HydrophobicContact CB-CZ2 3.84Å; L200-W216 HydrophobicContact CB-CZ3 4.45Å; L200-W216 HydrophobicContact CD1-CH2 3.96Å; L200-W216 HydrophobicContact CD1-CZ3 4.18Å; L200-W216 HydrophobicContact CG-CH2 4.43Å; C202-W216 HydrophobicContact CB-CH2 4.48Å; C202-W216 HydrophobicContact CB-CZ2 3.68Å; W216-Q223 HydrophobicContact CB-CB 4.28Å; W216-Q223 PolarHBondContact O-N 2.93Å; W216-A244 VanDerWaalsContact NE1-C 3.34Å; W216-A244 PolarHBondContact NE1-O 2.88Å; W216-V246 HydrophobicContact CB-CG1 4.49Å; W216-V246 HydrophobicContact CD2-CB 4.33Å; W216-V246 HydrophobicContact CD2-CG1 3.52Å; W216-V246 HydrophobicContact CE3-CG1 3.84Å; W216-V246 HydrophobicContact CG-CB 4.14Å; W216-V246 HydrophobicContact CG-CG1 3.84Å; W216-V246 HydrophobicContact CH2-CG1 4.29Å; W216-V246 HydrophobicContact CZ2-CG1 4.02Å; W216-V246 HydrophobicContact CZ3-CG1 4.22Å; W216-T257 CarbonylContact C-O 3.49Å; W216-T257 WeakPolarHBondContact CA-O 3.36Å; W216-T257 VanDerWaalsContact CE3-C 3.41Å; W216-C258 HydrophobicContact CD2-CB 4.15Å; W216-C258 HydrophobicContact CE3-CB 4.12Å; W216-C258 HydrophobicContact CH2-CB 4.18Å; W216-C258 HydrophobicContact CZ2-CB 4.18Å; W216-C258 HydrophobicContact CZ3-CB 4.13Å
217Q97.3Very high94.5Very high40 Ų4057.9 Ų57.919%0.18731%0.31CS..EExtended strand (participates in β ladder)trans-125.9143171.5-73.8-177.1-1000111E221 D222 Y256 T257 H259Q217-E221 CarbonylContact C-O 3.54Å; Q217-E221 WeakPolarHBondContact CA-O 3.35Å; Q217-D222 WeakPolarHBondContact CG-OD1 3.48Å; Q217-D222 PolarHBondContact NE2-OD1 2.75Å; Q217-Y256 CarbonylContact O-C 3.55Å; Q217-Y256 WeakPolarHBondContact O-CA 3.36Å; Q217-T257 PolarHBondContact N-O 3.37Å; Q217-T257 PolarHBondContact O-N 2.97Å; Q217-T257 PolarHBondContact O-OG1 2.88Å; Q217-H259 WeakPolarHBondContact CB-NE2 3.43Å; Q217-H259 WeakPolarHBondContact CG-NE2 3.47Å; Q217-H259 PolarHBondContact OE1-NE2 2.69Å
218R96.5Very high94.5Very high70 Ų7063 Ų6326%0.26433%0.334SS..EExtended strand (participates in β ladder)trans-112.1116.6169.8-178.4-174.364.7-139.9-8108.8G220 E221 Q223 R255 Y256R218-G220 PolarHBondContact O-N 3.28Å; R218-E221 PolarHBondContact N-O 2.91Å; R218-E221 IonicContact NH2-OE2 3.45Å; R218-E221 PolarHBondContact NH2-OE2 3.07Å; R218-E221 PolarHBondContact O-N 3.2Å; R218-Q223 HydrophobicContact CB-CG 3.88Å; R218-R255 WeakPolarHBondContact CA-O 3.46Å; R218-R255 HydrophobicContact CG-CB 4.23Å; R218-Y256 HydrophobicContact CB-CD1 4.02Å; R218-Y256 HydrophobicContact CB-CE1 3.86Å; R218-Y256 WeakPolarHBondContact CD-OH 3.42Å; R218-Y256 HydrophobicContact CG-CD1 4.41Å; R218-Y256 HydrophobicContact CG-CE1 4.08Å; R218-Y256 HydrophobicContact CG-CE2 4.2Å
219D94.4Very high94.5Very high100 Ų10067.1 Ų67.154%0.53536%0.355SS..THydrogen-bonded Turntrans52.916.2-174.8-50.5-56.3000115.4R255D219-R255 PolarHBondContact N-O 3.36Å; D219-R255 WeakPolarHBondContact OD1-CB 3.42Å; D219-R255 IonicContact OD1-NE 2.79Å; D219-R255 PolarHBondContact OD1-NE 3.32Å; D219-R255 IonicContact OD2-CZ 3.68Å; D219-R255 IonicContact OD2-NE 3.11Å; D219-R255 PolarHBondContact OD2-NE 3.05Å; D219-R255 IonicContact OD2-NH2 3.45Å; D219-R255 PolarHBondContact OD2-NH2 3.2Å
220G91.5Very high94.5Very high47 Ų4767.7 Ų67.749%0.48536%0.359SS..THydrogen-bonded Turntrans107.3-7.6-175.200000115.4R218R218-G220 PolarHBondContact O-N 3.28Å
221E95Very high94.5Very high122 Ų12275.4 Ų75.457%0.5739%0.393SS*.EExtended strand (participates in β ladder)trans-89.5125.5175.5-59.8-177.7151.900111.3Q217 R218 Q223Q217-E221 CarbonylContact C-O 3.54Å; Q217-E221 WeakPolarHBondContact CA-O 3.35Å; R218-E221 PolarHBondContact N-O 2.91Å; R218-E221 IonicContact NH2-OE2 3.45Å; R218-E221 PolarHBondContact NH2-OE2 3.07Å; R218-E221 PolarHBondContact O-N 3.2Å; E221-Q223 PolarHBondContact O-NE2 3.31Å
222D95.1Very high94.6Very high98 Ų9870.8 Ų70.852%0.52437%0.374SS..EExtended strand (participates in β ladder)trans-61.4135177.3-66.8-40.1000112.2Q217Q217-D222 WeakPolarHBondContact CG-OD1 3.48Å; Q217-D222 PolarHBondContact NE2-OD1 2.75Å
223Q94.3Very high94.5Very high10 Ų1075.1 Ų75.15%0.04739%0.39CS..  trans-107.434.7-175.5-54.4-62.9-90.900112.1W216 R218 E221 Q225 D226 T227 Y256W216-Q223 HydrophobicContact CB-CB 4.28Å; W216-Q223 PolarHBondContact O-N 2.93Å; R218-Q223 HydrophobicContact CB-CG 3.88Å; E221-Q223 PolarHBondContact O-NE2 3.31Å; Q223-Q225 VanDerWaalsContact C-N 3.29Å; Q223-Q225 PolarHBondContact O-N 3.2Å; Q223-D226 PolarHBondContact O-N 3.19Å; Q223-D226 VanDerWaalsContact O-N 3.13Å; Q223-T227 PolarHBondContact O-N 3.15Å; Q223-T227 PolarHBondContact O-OG1 3.29Å; Q223-Y256 HydrophobicContact CG-CE1 4.31Å
224T85.7Confident94.5Very high104 Ų10476.6 Ų76.664%0.63840%0.4SS*.THydrogen-bonded Turntrans-61.2-28.8-165.9-47.20000114.7
225Q86Confident94.4Very high194 Ų19478.7 Ų78.791%0.90742%0.419SS*.THydrogen-bonded Turntrans-79.8-31.1178.3-64.3-173.68.900112.8Q223 T227Q223-Q225 VanDerWaalsContact C-N 3.29Å; Q223-Q225 PolarHBondContact O-N 3.2Å; Q225-T227 VanDerWaalsContact C-N 3.32Å
226D85.2Confident94.2Very high112 Ų11280.4 Ų80.460%0.59944%0.444SS*.SBendtrans-92.36.6-179.2-52.1-61.4000112.5Q223Q223-D226 PolarHBondContact O-N 3.19Å; Q223-D226 VanDerWaalsContact O-N 3.13Å
227T93.4Very high94Very high24 Ų2485.1 Ų85.115%0.14747%0.47CS..EExtended strand (participates in β ladder)trans-101.1117.6-176.9-640000111.9Q223 Q225 L229 A244 A245Q223-T227 PolarHBondContact O-N 3.15Å; Q223-T227 PolarHBondContact O-OG1 3.29Å; Q225-T227 VanDerWaalsContact C-N 3.32Å; T227-L229 HydrophobicContact CG2-CB 4.24Å; T227-L229 PolarHBondContact O-N 2.6Å; T227-L229 VanDerWaalsContact O-N 3.17Å; T227-A244 HydrophobicContact CG2-CB 4.02Å; T227-A245 CarbonylContact C-O 3.48Å; T227-A245 VanDerWaalsContact CA-O 3.32Å; T227-A245 WeakPolarHBondContact CA-O 3.34Å
228E96Very high93.7Very high108 Ų10885.1 Ų85.151%0.50548%0.48SS..EExtended strand (participates in β ladder)trans-7596.6164.1-175.5-171.8-154.600109.2R201 W243 A244 A245R201-E228 IonicContact NH2-OE2 3.17Å; E228-W243 HydrophobicContact CB-CZ3 4.32Å; E228-W243 HydrophobicContact CG-CH2 3.95Å; E228-W243 HydrophobicContact CG-CZ3 3.77Å; E228-W243 VanDerWaalsContact OE2-CH2 3.23Å; E228-W243 WeakPolarHBondContact OE2-CH2 3.49Å; E228-W243 WeakPolarHBondContact OE2-CZ3 3.3Å; E228-A244 CarbonylContact O-C 3.54Å; E228-A244 WeakPolarHBondContact O-CA 3.41Å; E228-A245 HydrophobicContact CB-CB 4.3Å; E228-A245 PolarHBondContact N-O 2.95Å; E228-A245 PolarHBondContact O-N 3.02Å
229L96.6Very high93.7Very high89 Ų8982.3 Ų82.347%0.46647%0.471SS..EExtended strand (participates in β ladder)trans-104.5120.1177.4-176.668.8000110.5L214 T227 A244L214-L229 HydrophobicContact CB-CD1 4.05Å; T227-L229 HydrophobicContact CG2-CB 4.24Å; T227-L229 PolarHBondContact O-N 2.6Å; T227-L229 VanDerWaalsContact O-N 3.17Å; L229-A244 HydrophobicContact CD1-CB 3.71Å
230V96.7Very high93.8Very high35 Ų3578.8 Ų78.821%0.21245%0.451CS..PPolyproline II helixtrans-85.2153.9175-63.40000112.7K242 W243V230-K242 HydrophobicContact CG2-CG 4.44Å; V230-K242 WeakPolarHBondContact O-CE 3.26Å; V230-K242 WeakPolarHBondContact O-CG 3.17Å; V230-K242 PolarHBondContact O-NZ 3.2Å; V230-W243 HydrophobicContact CG1-CD2 4.05Å; V230-W243 HydrophobicContact CG1-CE3 4.33Å; V230-W243 HydrophobicContact CG1-CH2 3.77Å; V230-W243 HydrophobicContact CG1-CZ2 3.41Å; V230-W243 VanDerWaalsContact CG1-CZ2 3.41Å; V230-W243 HydrophobicContact CG1-CZ3 4.2Å; V230-W243 HydrophobicContact CG2-CD2 3.86Å; V230-W243 HydrophobicContact CG2-CG 3.8Å; V230-W243 WeakPolarHBondContact CG2-O 3.21Å; V230-W243 PolarHBondContact N-O 2.84Å
231E96.7Very high94.2Very high174 Ų17478.5 Ų78.581%0.81344%0.437SS*.PPolyproline II helixtrans-55.6150.7166-65.6-173.1155.700111.4R233E231-R233 PolarHBondContact O-N 3.25Å
232T97.8Very high94.3Very high46 Ų4673.7 Ų73.728%0.28241%0.414SS..PPolyproline II helixtrans-71.8126.6174.8-53.70000108.4F207 A210 F240 K242F207-T232 HydrophobicContact CE2-CG2 4.02Å; F207-T232 HydrophobicContact CZ-CG2 3.9Å; A210-T232 HydrophobicContact CB-CG2 4.24Å; A210-T232 WeakPolarHBondContact O-CG2 3.41Å; T232-F240 HydrophobicContact CG2-CB 3.92Å; T232-F240 HydrophobicContact CG2-CD1 4.1Å; T232-F240 HydrophobicContact CG2-CG 4.28Å; T232-K242 WeakPolarHBondContact OG1-CD 3.23Å; T232-K242 PolarHBondContact OG1-NZ 2.9Å
233R96.9Very high94.5Very high100 Ų10070.2 Ų70.238%0.37739%0.394SS..EExtended strand (participates in β ladder)trans-123146.4-175.570.2-163.2-175.8-173.94.5111E231 Q241E231-R233 PolarHBondContact O-N 3.25Å; R233-Q241 HydrophobicContact CG-CG 3.66Å; R233-Q241 PolarHBondContact N-O 3.31Å; R233-Q241 VanDerWaalsContact NE-CD 3.27Å; R233-Q241 VanDerWaalsContact O-CG 3.26Å; R233-Q241 WeakPolarHBondContact O-CG 3.38Å; R233-Q241 PolarHBondContact O-N 2.95Å
234P96.9Very high94.7Very high88 Ų8869.7 Ų69.757%0.57139%0.391SS*.EExtended strand (participates in β ladder)trans-66.7153.9176.427.8-34.6000111.6F240 Q241P234-F240 HydrophobicContact CB-CD1 4.39Å; P234-F240 HydrophobicContact CB-CE1 4.13Å; P234-Q241 PolarHBondContact O-NE2 3.12Å; P234-Q241 VanDerWaalsContact O-NE2 3.08Å
235A96.2Very high95.2Very high50 Ų5064.9 Ų64.941%0.41336%0.362SS..  trans-92.5-19.9169.300000112.7D237 T239 Q241A235-D237 WeakPolarHBondContact CB-OD1 3.44Å; A235-T239 PolarHBondContact N-O 3.23Å; A235-Q241 HydrophobicContact CB-CG 4.41Å
236G92.9Very high95.7Very high76 Ų7655.8 Ų55.878%0.78432%0.319SS*.SBendtrans99.4-8.1178.800000114.9
237D92Very high96.3Very high101 Ų10154 Ų5454%0.5431%0.313SS..SBendtrans-101.612.4176.961.8-2.7000113.2A235 T239A235-D237 WeakPolarHBondContact CB-OD1 3.44Å; D237-T239 WeakPolarHBondContact OD1-CA 3.33Å; D237-T239 WeakPolarHBondContact OD1-CB 3.48Å; D237-T239 PolarHBondContact OD1-N 3.47Å; D237-T239 PolarHBondContact OD1-OG1 3.28Å; D237-T239 PolarHBondContact OD2-OG1 2.82Å
238G91.4Very high96.3Very high39 Ų3952.9 Ų52.940%0.40231%0.306SS..SBendtrans82.18.8-171.300000114.6R180 Y208R180-G238 PolarHBondContact NH2-O 3.05Å; Y208-G238 WeakPolarHBondContact CD2-O 3.24Å
239T96.4Very high96.3Very high12 Ų1250 Ų507%0.07430%0.296CS..  trans-113.1171.9170.875.70000112.1S206 F207 A235 D237S206-T239 WeakPolarHBondContact CA-OG1 3.28Å; F207-T239 CarbonylContact O-C 3.39Å; F207-T239 WeakPolarHBondContact O-CA 3.29Å; A235-T239 PolarHBondContact N-O 3.23Å; D237-T239 WeakPolarHBondContact OD1-CA 3.33Å; D237-T239 WeakPolarHBondContact OD1-CB 3.48Å; D237-T239 PolarHBondContact OD1-N 3.47Å; D237-T239 PolarHBondContact OD1-OG1 3.28Å; D237-T239 PolarHBondContact OD2-OG1 2.82Å
240F98Very high96Very high25 Ų2548.3 Ų48.311%0.1129%0.292CS..EExtended strand (participates in β ladder)trans-119.8163.3-175.6-65.2-82.3000112.8D29 S206 F207 Y208 A210 T232 P234D29-F240 HydrophobicContact CB-CE2 3.78Å; D29-F240 HydrophobicContact CB-CZ 3.65Å; S206-F240 PolarHBondContact N-O 2.9Å; F207-F240 WeakPolarHBondContact CD1-O 3.49Å; F207-F240 HydrophobicContact CD2-CB 3.86Å; F207-F240 HydrophobicContact CE1-CB 4.34Å; F207-F240 WeakPolarHBondContact CE1-O 3.46Å; F207-F240 HydrophobicContact CE2-CB 3.44Å; F207-F240 VanDerWaalsContact CE2-CB 3.44Å; F207-F240 HydrophobicContact CG-CB 4.44Å; F207-F240 HydrophobicContact CZ-CB 3.7Å; F207-F240 PolarHBondContact N-O 2.91Å; F207-F240 PolarHBondContact O-N 3.02Å; Y208-F240 HydrophobicContact CD2-CD2 4.37Å; Y208-F240 AromaticContact CD2-CE2 3.98Å; Y208-F240 HydrophobicContact CD2-CE2 3.98Å; Y208-F240 HydrophobicContact CE2-CE2 4.37Å; A210-F240 HydrophobicContact CB-CD1 3.76Å; A210-F240 HydrophobicContact CB-CD2 3.75Å; A210-F240 HydrophobicContact CB-CE1 3.83Å; A210-F240 HydrophobicContact CB-CE2 3.81Å; A210-F240 HydrophobicContact CB-CG 3.75Å; A210-F240 HydrophobicContact CB-CZ 3.88Å; T232-F240 HydrophobicContact CG2-CB 3.92Å; T232-F240 HydrophobicContact CG2-CD1 4.1Å; T232-F240 HydrophobicContact CG2-CG 4.28Å; P234-F240 HydrophobicContact CB-CD1 4.39Å; P234-F240 HydrophobicContact CB-CE1 4.13Å
241Q98.3Very high95.6Very high41 Ų4149.8 Ų49.819%0.19231%0.314CS..EExtended strand (participates in β ladder)trans-144144.117839.4160.8-25.800110.1A204 L205 R233 P234 A235A204-Q241 WeakPolarHBondContact O-CA 3.44Å; L205-Q241 HydrophobicContact CD2-CB 3.59Å; R233-Q241 HydrophobicContact CG-CG 3.66Å; R233-Q241 PolarHBondContact N-O 3.31Å; R233-Q241 VanDerWaalsContact NE-CD 3.27Å; R233-Q241 VanDerWaalsContact O-CG 3.26Å; R233-Q241 WeakPolarHBondContact O-CG 3.38Å; R233-Q241 PolarHBondContact O-N 2.95Å; P234-Q241 PolarHBondContact O-NE2 3.12Å; P234-Q241 VanDerWaalsContact O-NE2 3.08Å; A235-Q241 HydrophobicContact CB-CG 4.41Å
242K98.5Very high95.5Very high21 Ų2144.7 Ų44.79%0.09129%0.29CS..EExtended strand (participates in β ladder)trans-151157.4177.1-161.1-177.1-170.466.90109.1A204 F207 I212 L214 V230 T232A204-K242 PolarHBondContact N-O 2.93Å; A204-K242 PolarHBondContact O-N 2.88Å; A204-K242 VanDerWaalsContact O-O 3.04Å; F207-K242 HydrophobicContact CE1-CB 4.39Å; F207-K242 HydrophobicContact CZ-CB 4.09Å; I212-K242 HydrophobicContact CG2-CB 4.22Å; I212-K242 HydrophobicContact CG2-CD 3.49Å; I212-K242 VanDerWaalsContact CG2-CD 3.49Å; L214-K242 HydrophobicContact CD1-CD 4.34Å; L214-K242 HydrophobicContact CD2-CB 4.38Å; L214-K242 HydrophobicContact CD2-CG 4.41Å; V230-K242 HydrophobicContact CG2-CG 4.44Å; V230-K242 WeakPolarHBondContact O-CE 3.26Å; V230-K242 WeakPolarHBondContact O-CG 3.17Å; V230-K242 PolarHBondContact O-NZ 3.2Å; T232-K242 WeakPolarHBondContact OG1-CD 3.23Å; T232-K242 PolarHBondContact OG1-NZ 2.9Å
243W98.1Very high95.3Very high25 Ų2543.4 Ų43.410%0.09528%0.281CS..EExtended strand (participates in β ladder)trans-147.1158.816956.9-96.2000111.7R201 C202 W203 E228 V230 A245R201-W243 HydrophobicContact CG-CB 4.04Å; R201-W243 HydrophobicContact CG-CD2 4.06Å; R201-W243 HydrophobicContact CG-CE3 3.75Å; R201-W243 HydrophobicContact CG-CG 4.24Å; R201-W243 HydrophobicContact CG-CZ3 4.48Å; R201-W243 VanDerWaalsContact NE-CE3 3.32Å; R201-W243 VanDerWaalsContact NE-CZ3 3.3Å; C202-W243 CarbonylContact O-C 3.58Å; C202-W243 WeakPolarHBondContact O-CA 3.01Å; C202-W243 WeakPolarHBondContact O-CB 3.4Å; W203-W243 HydrophobicContact CD2-CB 3.96Å; W203-W243 HydrophobicContact CD2-CG 4.38Å; W203-W243 HydrophobicContact CE3-CB 3.86Å; W203-W243 AromaticContact CE3-CD1 3.68Å; W203-W243 HydrophobicContact CE3-CG 4.03Å; W203-W243 HydrophobicContact CG-CB 4.31Å; W203-W243 AromaticContact CH2-CD1 3.82Å; W203-W243 HydrophobicContact CH2-CG 4.4Å; W203-W243 HydrophobicContact CZ3-CB 4.38Å; W203-W243 AromaticContact CZ3-CD1 3.34Å; W203-W243 HydrophobicContact CZ3-CG 4.05Å; W203-W243 AromaticContact CZ3-NE1 3.97Å; E228-W243 HydrophobicContact CB-CZ3 4.32Å; E228-W243 HydrophobicContact CG-CH2 3.95Å; E228-W243 HydrophobicContact CG-CZ3 3.77Å; E228-W243 VanDerWaalsContact OE2-CH2 3.23Å; E228-W243 WeakPolarHBondContact OE2-CH2 3.49Å; E228-W243 WeakPolarHBondContact OE2-CZ3 3.3Å; V230-W243 HydrophobicContact CG1-CD2 4.05Å; V230-W243 HydrophobicContact CG1-CE3 4.33Å; V230-W243 HydrophobicContact CG1-CH2 3.77Å; V230-W243 HydrophobicContact CG1-CZ2 3.41Å; V230-W243 VanDerWaalsContact CG1-CZ2 3.41Å; V230-W243 HydrophobicContact CG1-CZ3 4.2Å; V230-W243 HydrophobicContact CG2-CD2 3.86Å; V230-W243 HydrophobicContact CG2-CG 3.8Å; V230-W243 WeakPolarHBondContact CG2-O 3.21Å; V230-W243 PolarHBondContact N-O 2.84Å; W243-A245 HydrophobicContact CE3-CB 4.01Å; W243-A245 HydrophobicContact CZ3-CB 3.72Å
244A98Very high95.1Very high0 Ų043.1 Ų43.10%028%0.284CS..EExtended strand (participates in β ladder)trans-131.2129.6173.800000108.4C202 L214 W216 T227 E228 L229C202-A244 PolarHBondContact N-O 3.35Å; C202-A244 PolarHBondContact O-N 2.9Å; L214-A244 HydrophobicContact CB-CB 4.07Å; L214-A244 HydrophobicContact CD2-CB 4.26Å; W216-A244 VanDerWaalsContact NE1-C 3.34Å; W216-A244 PolarHBondContact NE1-O 2.88Å; T227-A244 HydrophobicContact CG2-CB 4.02Å; E228-A244 CarbonylContact O-C 3.54Å; E228-A244 WeakPolarHBondContact O-CA 3.41Å; L229-A244 HydrophobicContact CD1-CB 3.71Å
245A97.4Very high95Very high2 Ų244 Ų442%0.01728%0.276CS..EExtended strand (participates in β ladder)trans-120.5149177.400000111.9T199 L200 R201 T227 E228 W243T199-A245 HydrophobicContact CG2-CB 3.85Å; L200-A245 CarbonylContact O-C 3.56Å; L200-A245 WeakPolarHBondContact O-CA 3.02Å; R201-A245 HydrophobicContact CB-CB 3.84Å; R201-A245 HydrophobicContact CG-CB 4.03Å; T227-A245 CarbonylContact C-O 3.48Å; T227-A245 VanDerWaalsContact CA-O 3.32Å; T227-A245 WeakPolarHBondContact CA-O 3.34Å; E228-A245 HydrophobicContact CB-CB 4.3Å; E228-A245 PolarHBondContact N-O 2.95Å; E228-A245 PolarHBondContact O-N 3.02Å; W243-A245 HydrophobicContact CE3-CB 4.01Å; W243-A245 HydrophobicContact CZ3-CB 3.72Å
246V97Very high95Very high3 Ų342.2 Ų42.22%0.01826%0.259CS..EExtended strand (participates in β ladder)trans-139.2142.4177.363.80000109T199 L200 W216 V248 Y256T199-V246 WeakPolarHBondContact CA-O 3.31Å; L200-V246 HydrophobicContact CB-CG1 4.37Å; L200-V246 PolarHBondContact N-O 3.12Å; L200-V246 PolarHBondContact O-N 3.22Å; W216-V246 HydrophobicContact CB-CG1 4.49Å; W216-V246 HydrophobicContact CD2-CB 4.33Å; W216-V246 HydrophobicContact CD2-CG1 3.52Å; W216-V246 HydrophobicContact CE3-CG1 3.84Å; W216-V246 HydrophobicContact CG-CB 4.14Å; W216-V246 HydrophobicContact CG-CG1 3.84Å; W216-V246 HydrophobicContact CH2-CG1 4.29Å; W216-V246 HydrophobicContact CZ2-CG1 4.02Å; W216-V246 HydrophobicContact CZ3-CG1 4.22Å; V246-V248 HydrophobicContact CG1-CG1 3.86Å; V246-Y256 HydrophobicContact CG1-CD1 4.13Å; V246-Y256 HydrophobicContact CG2-CD1 4.38Å; V246-Y256 HydrophobicContact CG2-CE1 4.14Å
247V96.3Very high95.2Very high75 Ų7539 Ų3946%0.45522%0.224SC..EExtended strand (participates in β ladder)trans-84.3128.7171.8-177.60000108.4E197E197-V247 HydrophobicContact CB-CG1 4.15Å; E197-V247 HydrophobicContact CG-CG1 4.38Å
248V95.3Very high95.5Very high0 Ų034.1 Ų34.10%020%0.198CC..EExtended strand (participates in β ladder)trans-125.7141.7-177.6-50.40000110.2E197 A198 L200 V246 E253 Y256E197-V248 WeakPolarHBondContact CA-O 3.44Å; A198-V248 HydrophobicContact CB-CG2 4.4Å; A198-V248 PolarHBondContact N-O 3.25Å; A198-V248 PolarHBondContact O-N 3.18Å; L200-V248 HydrophobicContact CD1-CG1 3.98Å; L200-V248 HydrophobicContact CD1-CG2 4.12Å; L200-V248 HydrophobicContact CG-CG1 4.11Å; L200-V248 HydrophobicContact CG-CG2 3.88Å; V246-V248 HydrophobicContact CG1-CG1 3.86Å; V248-E253 HydrophobicContact CG2-CG 3.97Å; V248-Y256 HydrophobicContact CB-CD2 3.9Å; V248-Y256 HydrophobicContact CB-CE2 3.63Å; V248-Y256 HydrophobicContact CG1-CD1 3.79Å; V248-Y256 HydrophobicContact CG1-CD2 3.5Å; V248-Y256 VanDerWaalsContact CG1-CD2 3.5Å; V248-Y256 HydrophobicContact CG1-CE1 3.82Å; V248-Y256 HydrophobicContact CG1-CE2 3.54Å; V248-Y256 HydrophobicContact CG1-CG 3.62Å
249P94.9Very high95.8Very high47 Ų4734.5 Ų34.531%0.30519%0.189SC..EExtended strand (participates in β ladder)trans-64.6140.1170.1-19.732.1000110.9H196 G251 Q252H196-P249 CarbonylContact O-C 3.44Å; H196-P249 WeakPolarHBondContact O-CA 3.19Å; P249-G251 PolarHBondContact O-N 3.5Å; P249-Q252 HydrophobicContact CB-CB 4.47Å; P249-Q252 HydrophobicContact CB-CG 4.17Å; P249-Q252 WeakPolarHBondContact O-CB 3.45Å; P249-Q252 PolarHBondContact O-N 3.34Å
250S90.1Very high95.9Very high55 Ų5534 Ų3439%0.38519%0.186SC..THydrogen-bonded Turntrans-57.9135179.9-59.70000112.1H196 E197 Q252 E253H196-S250 PolarHBondContact O-N 3.47Å; H196-S250 PolarHBondContact O-OG 2.95Å; E197-S250 PolarHBondContact N-OG 3.33Å; S250-Q252 VanDerWaalsContact C-N 3.28Å; S250-E253 WeakPolarHBondContact CA-OE1 3.46Å
251G89.3Confident95.9Very high66 Ų6637.5 Ų37.568%0.6820%0.203SC*.THydrogen-bonded Turntrans80.80.1-174.900000114.7P249 E253P249-G251 PolarHBondContact O-N 3.5Å; G251-E253 WeakPolarHBondContact CA-OE2 3.47Å; G251-E253 VanDerWaalsContact N-CD 3.31Å; G251-E253 PolarHBondContact N-OE1 3.26Å; G251-E253 PolarHBondContact N-OE2 3.34Å; G251-E253 VanDerWaalsContact N-OE2 3.11Å
252Q93.6Very high95.9Very high66 Ų6636.3 Ų36.331%0.30820%0.197SC..  trans-106.24.2175.9-57.7-163.846.700113.6P249 S250 Q254 R255 Y256P249-Q252 HydrophobicContact CB-CB 4.47Å; P249-Q252 HydrophobicContact CB-CG 4.17Å; P249-Q252 WeakPolarHBondContact O-CB 3.45Å; P249-Q252 PolarHBondContact O-N 3.34Å; S250-Q252 VanDerWaalsContact C-N 3.28Å; Q252-Q254 PolarHBondContact O-N 3.29Å; Q252-Q254 VanDerWaalsContact O-N 3.1Å; Q252-R255 WeakPolarHBondContact O-CB 3.25Å; Q252-R255 PolarHBondContact O-N 3.08Å; Q252-Y256 HydrophobicContact CB-CE2 4.45Å; Q252-Y256 WeakPolarHBondContact O-CD2 3.38Å
253E93.4Very high95.7Very high19 Ų1942.7 Ų42.79%0.08923%0.227CC..G310 helixtrans-54.6-36-173.5-55.777.1-16800112.3L200 V248 S250 G251 R255 Y256 W273L200-E253 HydrophobicContact CD1-CB 4.08Å; L200-E253 HydrophobicContact CD2-CB 4.49Å; L200-E253 HydrophobicContact CD2-CG 4.31Å; V248-E253 HydrophobicContact CG2-CG 3.97Å; S250-E253 WeakPolarHBondContact CA-OE1 3.46Å; G251-E253 WeakPolarHBondContact CA-OE2 3.47Å; G251-E253 VanDerWaalsContact N-CD 3.31Å; G251-E253 PolarHBondContact N-OE1 3.26Å; G251-E253 PolarHBondContact N-OE2 3.34Å; G251-E253 VanDerWaalsContact N-OE2 3.11Å; E253-R255 PolarHBondContact O-N 2.82Å; E253-Y256 PolarHBondContact O-N 3.39Å; E253-Y256 VanDerWaalsContact O-N 3.13Å; E253-W273 HydrophobicContact CB-CD2 4.29Å; E253-W273 HydrophobicContact CB-CE3 3.43Å; E253-W273 VanDerWaalsContact CB-CE3 3.43Å; E253-W273 HydrophobicContact CB-CZ3 3.89Å; E253-W273 HydrophobicContact CG-CE3 3.74Å; E253-W273 HydrophobicContact CG-CZ3 3.81Å
254Q92.7Very high95.5Very high94 Ų9442.4 Ų42.444%0.43923%0.232SC..G310 helixtrans-67.5-19.1-180-62.2-56.6-39.400114.5Q252 Y256 W273Q252-Q254 PolarHBondContact O-N 3.29Å; Q252-Q254 VanDerWaalsContact O-N 3.1Å; Q254-Y256 VanDerWaalsContact C-N 3.29Å; Q254-W273 PolarHBondContact NE2-O 3.35Å
255R95.2Very high95.5Very high108 Ų10843.6 Ų43.641%0.40824%0.238SC..G310 helixtrans-75.3-22174.5-61.2176.868.8179.96.2111.9R218 D219 Q252 E253R218-R255 WeakPolarHBondContact CA-O 3.46Å; R218-R255 HydrophobicContact CG-CB 4.23Å; D219-R255 PolarHBondContact N-O 3.36Å; D219-R255 WeakPolarHBondContact OD1-CB 3.42Å; D219-R255 IonicContact OD1-NE 2.79Å; D219-R255 PolarHBondContact OD1-NE 3.32Å; D219-R255 IonicContact OD2-CZ 3.68Å; D219-R255 IonicContact OD2-NE 3.11Å; D219-R255 PolarHBondContact OD2-NE 3.05Å; D219-R255 IonicContact OD2-NH2 3.45Å; D219-R255 PolarHBondContact OD2-NH2 3.2Å; Q252-R255 WeakPolarHBondContact O-CB 3.25Å; Q252-R255 PolarHBondContact O-N 3.08Å; E253-R255 PolarHBondContact O-N 2.82Å
256Y96.3Very high95.4Very high11 Ų1149.9 Ų49.94%0.04328%0.279CS..EExtended strand (participates in β ladder)trans-92.8136.2-176.9-67.2-97.9000111.2Q217 R218 Q223 V246 V248 Q252 E253 Q254Q217-Y256 CarbonylContact O-C 3.55Å; Q217-Y256 WeakPolarHBondContact O-CA 3.36Å; R218-Y256 HydrophobicContact CB-CD1 4.02Å; R218-Y256 HydrophobicContact CB-CE1 3.86Å; R218-Y256 WeakPolarHBondContact CD-OH 3.42Å; R218-Y256 HydrophobicContact CG-CD1 4.41Å; R218-Y256 HydrophobicContact CG-CE1 4.08Å; R218-Y256 HydrophobicContact CG-CE2 4.2Å; Q223-Y256 HydrophobicContact CG-CE1 4.31Å; V246-Y256 HydrophobicContact CG1-CD1 4.13Å; V246-Y256 HydrophobicContact CG2-CD1 4.38Å; V246-Y256 HydrophobicContact CG2-CE1 4.14Å; V248-Y256 HydrophobicContact CB-CD2 3.9Å; V248-Y256 HydrophobicContact CB-CE2 3.63Å; V248-Y256 HydrophobicContact CG1-CD1 3.79Å; V248-Y256 HydrophobicContact CG1-CD2 3.5Å; V248-Y256 VanDerWaalsContact CG1-CD2 3.5Å; V248-Y256 HydrophobicContact CG1-CE1 3.82Å; V248-Y256 HydrophobicContact CG1-CE2 3.54Å; V248-Y256 HydrophobicContact CG1-CG 3.62Å; Q252-Y256 HydrophobicContact CB-CE2 4.45Å; Q252-Y256 WeakPolarHBondContact O-CD2 3.38Å; E253-Y256 PolarHBondContact O-N 3.39Å; E253-Y256 VanDerWaalsContact O-N 3.13Å; Q254-Y256 VanDerWaalsContact C-N 3.29Å
257T97.4Very high95.4Very high8 Ų857.6 Ų57.65%0.04931%0.312CS..EExtended strand (participates in β ladder)trans-130.6131.4178.745.80000109.9W216 Q217 H259 T270 L271 R272W216-T257 CarbonylContact C-O 3.49Å; W216-T257 WeakPolarHBondContact CA-O 3.36Å; W216-T257 VanDerWaalsContact CE3-C 3.41Å; Q217-T257 PolarHBondContact N-O 3.37Å; Q217-T257 PolarHBondContact O-N 2.97Å; Q217-T257 PolarHBondContact O-OG1 2.88Å; T257-H259 WeakPolarHBondContact CB-NE2 3.44Å; T257-H259 PolarHBondContact OG1-NE2 3.01Å; T257-T270 HydrophobicContact CG2-CG2 3.91Å; T257-L271 WeakPolarHBondContact CA-O 3.04Å; T257-R272 HydrophobicContact CG2-CG 3.68Å
258C97.8Very high95.4Very high0 Ų057.8 Ų57.80%032%0.315CS..EExtended strand (participates in β ladder)trans-94.1130.9168.3174.50000108.9M188 C202 T215 W216 T270 L271M188-C258 HydrophobicContact CE-CB 3.44Å; M188-C258 VanDerWaalsContact CE-CB 3.44Å; C202-C258 HydrophobicContact CB-CB 3.46Å; C202-C258 VanDerWaalsContact CB-CB 3.46Å; C202-C258 WeakPolarHBondContact CB-SG 3.49Å; C202-C258 WeakPolarHBondContact SG-CB 3.38Å; C202-C258 CovalentContact SG-SG 2.03Å; C202-C258 PolarHBondContact SG-SG 3.43Å; T215-C258 CarbonylContact O-C 3.55Å; T215-C258 WeakPolarHBondContact O-CA 3.25Å; W216-C258 HydrophobicContact CD2-CB 4.15Å; W216-C258 HydrophobicContact CE3-CB 4.12Å; W216-C258 HydrophobicContact CH2-CB 4.18Å; W216-C258 HydrophobicContact CZ2-CB 4.18Å; W216-C258 HydrophobicContact CZ3-CB 4.13Å; C258-T270 WeakPolarHBondContact O-CA 3.33Å; C258-L271 HydrophobicContact CB-CB 4.31Å; C258-L271 PolarHBondContact N-O 2.91Å; C258-L271 PolarHBondContact O-N 2.03Å
259H97.7Very high95.5Very high47 Ų4760.8 Ų60.822%0.21833%0.331CS..EExtended strand (participates in β ladder)trans-110.4131.6175.8-61-94.7000109.6L214 T215 Q217 T257 L269 T270L214-H259 WeakPolarHBondContact CA-O 3.45Å; T215-H259 PolarHBondContact N-O 3.09Å; T215-H259 PolarHBondContact O-N 3.08Å; Q217-H259 WeakPolarHBondContact CB-NE2 3.43Å; Q217-H259 WeakPolarHBondContact CG-NE2 3.47Å; Q217-H259 PolarHBondContact OE1-NE2 2.69Å; T257-H259 WeakPolarHBondContact CB-NE2 3.44Å; T257-H259 PolarHBondContact OG1-NE2 3.01Å; H259-L269 CarbonylContact C-O 3.56Å; H259-L269 WeakPolarHBondContact CA-O 3.36Å; H259-T270 WeakPolarHBondContact CE1-CG2 3.47Å; H259-T270 PolarHBondContact CE1-OG1 3.5Å; H259-T270 PolarHBondContact ND1-OG1 2.98Å
260V98.3Very high95.6Very high0 Ų062.2 Ų62.20%034%0.339CS..EExtended strand (participates in β ladder)trans-122.4119.6-177.1-176.50000109P184 T186 I212 T213 L214 L265 P268 L269 L271P184-V260 HydrophobicContact CG-CG1 4.02Å; T186-V260 HydrophobicContact CG2-CB 4.45Å; T186-V260 HydrophobicContact CG2-CG1 4.2Å; T186-V260 HydrophobicContact CG2-CG2 4.08Å; I212-V260 HydrophobicContact CD1-CG1 4.04Å; I212-V260 HydrophobicContact CG1-CG1 4.38Å; T213-V260 WeakPolarHBondContact O-CA 3.42Å; L214-V260 HydrophobicContact CD1-CG1 3.98Å; L214-V260 HydrophobicContact CD1-CG2 4.34Å; L214-V260 HydrophobicContact CG-CG2 4.24Å; V260-L265 HydrophobicContact CG1-CD1 4.07Å; V260-P268 WeakPolarHBondContact O-CA 3.45Å; V260-L269 HydrophobicContact CB-CB 4.38Å; V260-L269 PolarHBondContact N-O 2.88Å; V260-L269 PolarHBondContact O-N 2.86Å; V260-L271 HydrophobicContact CG2-CD1 3.92Å
261Q98.3Very high95.9Very high100 Ų10061.2 Ų61.247%0.46733%0.329SS..EExtended strand (participates in β ladder)trans-117.1126.6175.5-43.4-172.831.700109.3I212 T213 P268I212-Q261 WeakPolarHBondContact CG1-O 3.48Å; T213-Q261 PolarHBondContact N-O 3.21Å; T213-Q261 PolarHBondContact O-N 3.3Å; Q261-P268 HydrophobicContact CG-CB 4.16Å; Q261-P268 HydrophobicContact CG-CG 4.19Å
262H97.8Very high96.1Very high15 Ų1565.6 Ų65.67%0.06933%0.325CS..  trans-154.3148.1-177.5-175.1-104.9000108.6D182 P184 F207 Y208 P209 E211 I212 G264 L265D182-H262 PolarHBondContact O-CE1 3.05Å; P184-H262 HydrophobicContact CG-CB 4.13Å; F207-H262 AromaticContact CD2-CD2 3.94Å; F207-H262 AromaticContact CD2-NE2 3.45Å; F207-H262 WeakPolarHBondContact CD2-NE2 3.23Å; Y208-H262 PolarHBondContact N-CE1 3.41Å; Y208-H262 PolarHBondContact O-CE1 2.99Å; Y208-H262 PolarHBondContact O-NE2 3.06Å; P209-H262 VanDerWaalsContact CD-NE2 3.33Å; P209-H262 WeakPolarHBondContact CD-NE2 3.39Å; P209-H262 PolarHBondContact O-NE2 3.25Å; E211-H262 PolarHBondContact O-CD2 2.9Å; E211-H262 VanDerWaalsContact O-CD2 3.26Å; I212-H262 HydrophobicContact CD1-CB 4.21Å; I212-H262 HydrophobicContact CG1-CB 4.03Å; H262-G264 PolarHBondContact ND1-N 2.63Å; H262-G264 PolarHBondContact O-N 3.3Å; H262-L265 HydrophobicContact CB-CD1 3.96Å; H262-L265 HydrophobicContact CB-CG 4.09Å; H262-L265 WeakPolarHBondContact O-CB 3.27Å; H262-L265 PolarHBondContact O-N 2.96Å
263E94.9Very high96Very high155 Ų15564.7 Ų64.772%0.72432%0.319SS*.THydrogen-bonded Turntrans-62.7-29-178.5-170.7170.7-168.300112.8T181 L265T181-E263 HydrophobicContact CG2-CB 3.84Å; T181-E263 HydrophobicContact CG2-CG 4.04Å; E263-L265 PolarHBondContact O-N 3.28Å
264G94.9Very high95.5Very high19 Ų1971.4 Ų71.420%0.19635%0.35CS..THydrogen-bonded Turntrans-75.1-2.9176.300000114.4A183 H262A183-G264 WeakPolarHBondContact CB-O 3.42Å; H262-G264 PolarHBondContact ND1-N 2.63Å; H262-G264 PolarHBondContact O-N 3.3Å
265L97.3Very high94.8Very high26 Ų2670.8 Ų70.814%0.13635%0.354CS..  trans-102.2121.1176.9-64.1173.6000110.3A183 P184 V260 H262 E263 K267 L269A183-L265 HydrophobicContact CB-CD2 4.14Å; P184-L265 HydrophobicContact CG-CD1 3.83Å; P184-L265 HydrophobicContact CG-CD2 4.22Å; P184-L265 HydrophobicContact CG-CG 4.09Å; V260-L265 HydrophobicContact CG1-CD1 4.07Å; H262-L265 HydrophobicContact CB-CD1 3.96Å; H262-L265 HydrophobicContact CB-CG 4.09Å; H262-L265 WeakPolarHBondContact O-CB 3.27Å; H262-L265 PolarHBondContact O-N 2.96Å; E263-L265 PolarHBondContact O-N 3.28Å; L265-K267 WeakPolarHBondContact CB-O 3.44Å; L265-K267 PolarHBondContact O-N 2.93Å; L265-K267 VanDerWaalsContact O-N 3.11Å; L265-L269 HydrophobicContact CD1-CB 4.47Å; L265-L269 HydrophobicContact CD1-CD1 3.98Å; L265-L269 HydrophobicContact CD1-CG 3.94Å; L265-L269 HydrophobicContact CD2-CD1 3.61Å; L265-L269 HydrophobicContact CD2-CG 3.93Å; L265-L269 HydrophobicContact CG-CD1 4.46Å
266P95.6Very high93.2Very high134 Ų13470.6 Ų70.687%0.8737%0.369SS*.SBendtrans-67.2-15.7-179.528.4-35.8000113.3
267K96.4Very high90.9Very high164 Ų16475.6 Ų75.671%0.71341%0.406SS*.SBendtrans-150.9151.2168.5-62-173.2-178.1179.80108.3L265 L269L265-K267 WeakPolarHBondContact CB-O 3.44Å; L265-K267 PolarHBondContact O-N 2.93Å; L265-K267 VanDerWaalsContact O-N 3.11Å; K267-L269 PolarHBondContact O-N 3.25Å
268P96.7Very high88.4Confident79 Ų7983 Ų8351%0.51344%0.44SS..  trans-49.3138.1169.6-29.537.1000112.5V260 Q261V260-P268 WeakPolarHBondContact O-CA 3.45Å; Q261-P268 HydrophobicContact CG-CB 4.16Å; Q261-P268 HydrophobicContact CG-CG 4.19Å
269L97.1Very high85.8Confident63 Ų6388.1 Ų88.133%0.3347%0.473SS..EExtended strand (participates in β ladder)trans-89.4134.1172.2-68.4175.2000109.6T186 H259 V260 L265 K267T186-L269 HydrophobicContact CG2-CD1 4.31Å; H259-L269 CarbonylContact C-O 3.56Å; H259-L269 WeakPolarHBondContact CA-O 3.36Å; V260-L269 HydrophobicContact CB-CB 4.38Å; V260-L269 PolarHBondContact N-O 2.88Å; V260-L269 PolarHBondContact O-N 2.86Å; L265-L269 HydrophobicContact CD1-CB 4.47Å; L265-L269 HydrophobicContact CD1-CD1 3.98Å; L265-L269 HydrophobicContact CD1-CG 3.94Å; L265-L269 HydrophobicContact CD2-CD1 3.61Å; L265-L269 HydrophobicContact CD2-CG 3.93Å; L265-L269 HydrophobicContact CG-CD1 4.46Å; K267-L269 PolarHBondContact O-N 3.25Å
270T97.1Very high83.6Confident77 Ų7792.4 Ų92.447%0.47250%0.503SS..EExtended strand (participates in β ladder)trans-111.1121.9168.2-54.50000108.8T257 C258 H259T257-T270 HydrophobicContact CG2-CG2 3.91Å; C258-T270 WeakPolarHBondContact O-CA 3.33Å; H259-T270 WeakPolarHBondContact CE1-CG2 3.47Å; H259-T270 PolarHBondContact CE1-OG1 3.5Å; H259-T270 PolarHBondContact ND1-OG1 2.98Å
271L95.9Very high81.4Confident35 Ų3597.4 Ų97.418%0.18353%0.529CS..EExtended strand (participates in β ladder)trans-112.3138.2-176.2-62.6157.8000109.4T186 M188 T257 C258 V260T186-L271 HydrophobicContact CG2-CD1 4.03Å; M188-L271 HydrophobicContact CE-CB 3.75Å; M188-L271 VanDerWaalsContact CE-O 3.23Å; M188-L271 WeakPolarHBondContact CE-O 3.48Å; T257-L271 WeakPolarHBondContact CA-O 3.04Å; C258-L271 HydrophobicContact CB-CB 4.31Å; C258-L271 PolarHBondContact N-O 2.91Å; C258-L271 PolarHBondContact O-N 2.03Å; V260-L271 HydrophobicContact CG2-CD1 3.92Å
272R93.8Very high79.2Confident157 Ų15796.9 Ų96.959%0.59253%0.534SS*.  trans-116.2157.7166.9-76.9-178.7176.2152.53.1109.3T257 E274T257-R272 HydrophobicContact CG2-CG 3.68Å; R272-E274 PolarHBondContact O-N 2.87Å
273W91.6Very high77.3Confident47 Ų47101.5 Ų101.518%0.17856%0.558CS.*PPolyproline II helixtrans-77.5122.5171.517469.4000109.5M188 H190 L200 E253 Q254 P275M188-W273 VanDerWaalsContact SD-CA 3.59Å; M188-W273 HydrophobicContact SD-CB 3.8Å; M188-W273 PolarHBondContact SD-N 3.26Å; H190-W273 HydrophobicContact CB-CZ2 4.17Å; H190-W273 VanDerWaalsContact CB-NE1 3.33Å; H190-W273 AromaticContact CD2-CZ2 3.91Å; H190-W273 AromaticContact CG-CE2 4Å; H190-W273 AromaticContact CG-CZ2 3.97Å; L200-W273 HydrophobicContact CD1-CB 4.23Å; L200-W273 HydrophobicContact CD2-CB 3.92Å; L200-W273 HydrophobicContact CD2-CD2 4.3Å; L200-W273 HydrophobicContact CD2-CG 3.83Å; E253-W273 HydrophobicContact CB-CD2 4.29Å; E253-W273 HydrophobicContact CB-CE3 3.43Å; E253-W273 VanDerWaalsContact CB-CE3 3.43Å; E253-W273 HydrophobicContact CB-CZ3 3.89Å; E253-W273 HydrophobicContact CG-CE3 3.74Å; E253-W273 HydrophobicContact CG-CZ3 3.81Å; Q254-W273 PolarHBondContact NE2-O 3.35Å; W273-P275 HydrophobicContact CE3-CG 4.31Å; W273-P275 HydrophobicContact CH2-CB 3.98Å; W273-P275 HydrophobicContact CH2-CG 3.74Å; W273-P275 HydrophobicContact CZ2-CB 4.13Å; W273-P275 HydrophobicContact CZ2-CG 4.24Å; W273-P275 HydrophobicContact CZ3-CB 4.49Å; W273-P275 HydrophobicContact CZ3-CG 3.76Å
274E83.8Confident75.4Confident161 Ų16199.9 Ų99.975%0.75256%0.558SS**PPolyproline II helixtrans-102.6128.8168.5-67-173.1168.400109.1R272 S276R272-E274 PolarHBondContact O-N 2.87Å; E274-S276 PolarHBondContact O-N 3.01Å
275P77.3Confident73.7Confident80 Ų80101 Ų10152%0.51957%0.57SS.*PPolyproline II helixtrans-58.2125.9170.6-18.428.6000109.4W273 S277W273-P275 HydrophobicContact CE3-CG 4.31Å; W273-P275 HydrophobicContact CH2-CB 3.98Å; W273-P275 HydrophobicContact CH2-CG 3.74Å; W273-P275 HydrophobicContact CZ2-CB 4.13Å; W273-P275 HydrophobicContact CZ2-CG 4.24Å; W273-P275 HydrophobicContact CZ3-CB 4.49Å; W273-P275 HydrophobicContact CZ3-CG 3.76Å; P275-S277 PolarHBondContact O-N 2.81Å
276S61.8Low72.2Confident104 Ų104104.2 Ų104.273%0.72759%0.586SS**  trans-61.9108.4-17558.80000110.9E274 Q278E274-S276 PolarHBondContact O-N 3.01Å; S276-Q278 PolarHBondContact O-N 2.92Å
277S47.9Very low70.8Confident117 Ų117102.4 Ų102.482%0.81857%0.568SS**  trans-75.452.3178.351.10000112.1P275 P279P275-S277 PolarHBondContact O-N 2.81Å; S277-P279 VanDerWaalsContact O-CD 3.23Å; S277-P279 WeakPolarHBondContact O-CD 3.35Å; S277-P279 VanDerWaalsContact O-N 3.14Å
278Q45.5Very low69.3Low164 Ų16496.9 Ų96.977%0.76655%0.553SS**  trans-58117159.2-75-166.3-12.800107.2S276 T280S276-Q278 PolarHBondContact O-N 2.92Å; Q278-T280 PolarHBondContact O-N 2.72Å; Q278-T280 VanDerWaalsContact O-N 3.09Å
279P42.5Very low68.1Low106 Ų10694.7 Ų94.769%0.68855%0.545SS*.  trans-65.6118173.627.3-31.8000106.9S277 I281S277-P279 VanDerWaalsContact O-CD 3.23Å; S277-P279 WeakPolarHBondContact O-CD 3.35Å; S277-P279 VanDerWaalsContact O-N 3.14Å; P279-I281 PolarHBondContact O-N 2.88Å
280T51.1Low67.2Low138 Ų13897.3 Ų97.385%0.84756%0.559SS**  trans-66.481.4169.2-47.80000108Q278 P282Q278-T280 PolarHBondContact O-N 2.72Å; Q278-T280 VanDerWaalsContact O-N 3.09Å; T280-P282 WeakPolarHBondContact O-CD 3.35Å; T280-P282 VanDerWaalsContact O-N 3.09Å
281I53.1Low66.1Low105 Ų10598.3 Ų98.354%0.53856%0.564SS.*  trans-50.8121.3174.6-63.8175.4000105.7P279 I283 I286P279-I281 PolarHBondContact O-N 2.88Å; I281-I283 PolarHBondContact O-N 2.95Å; I281-I286 HydrophobicContact CG2-CD1 3.84Å
282P51.5Low65Low88 Ų88102.2 Ų102.257%0.57159%0.585SS**  trans-75.976.9-173.629.7-34.7000109.2T280 V284 G285 I286T280-P282 WeakPolarHBondContact O-CD 3.35Å; T280-P282 VanDerWaalsContact O-N 3.09Å; P282-V284 PolarHBondContact O-N 2.75Å; P282-G285 WeakPolarHBondContact O-CA 3.21Å; P282-G285 PolarHBondContact O-N 2.88Å; P282-I286 PolarHBondContact O-N 3.47Å
283I58.4Low63.9Low113 Ų113102 Ų10258%0.57959%0.588SS**Hα-helixtrans-53.4-37177.7-68.7163.8000109.7I281 G285 I286 I287I281-I283 PolarHBondContact O-N 2.95Å; I283-G285 PolarHBondContact O-N 2.72Å; I283-I286 PolarHBondContact O-N 3.21Å; I283-I287 HydrophobicContact CG2-CD1 3.68Å; I283-I287 HydrophobicContact CG2-CG1 4.32Å; I283-I287 WeakPolarHBondContact O-CB 3.36Å; I283-I287 VanDerWaalsContact O-CG1 3.26Å; I283-I287 WeakPolarHBondContact O-CG1 3.38Å; I283-I287 PolarHBondContact O-N 2.84Å
284V55.3Low62.9Low121 Ų121101.3 Ų101.373%0.73360%0.597SS**Hα-helixtrans-57.7-43.2171.9-176.70000112.3P282 A288P282-V284 PolarHBondContact O-N 2.75Å; V284-A288 VanDerWaalsContact O-CB 3.28Å; V284-A288 WeakPolarHBondContact O-CB 3.22Å; V284-A288 PolarHBondContact O-N 3.09Å
285G58.3Low62.5Low43 Ų4396.6 Ų96.644%0.44359%0.585SS.*Hα-helixtrans-69.3-38.1177.800000112.9P282 I283 G289P282-G285 WeakPolarHBondContact O-CA 3.21Å; P282-G285 PolarHBondContact O-N 2.88Å; I283-G285 PolarHBondContact O-N 2.72Å; G285-G289 PolarHBondContact O-N 3.27Å
286I64.7Low62.4Low92 Ų9297.7 Ų97.747%0.47259%0.59SS.*Hα-helixtrans-66.1-45.6174.7-61.4173.3000110.3I281 P282 I283 G289 L290I281-I286 HydrophobicContact CG2-CD1 3.84Å; P282-I286 PolarHBondContact O-N 3.47Å; I283-I286 PolarHBondContact O-N 3.21Å; I286-G289 PolarHBondContact O-N 3.26Å; I286-L290 HydrophobicContact CG2-CD1 3.98Å; I286-L290 WeakPolarHBondContact O-CB 3.03Å; I286-L290 WeakPolarHBondContact O-CG 3.25Å; I286-L290 PolarHBondContact O-N 3.19Å
287I66.2Low63Low96 Ų9697.5 Ų97.549%0.49258%0.58SS.*Hα-helixtrans-62.1-46.9176.2-69.8169.2000110.8I283 G289 L290 V291I283-I287 HydrophobicContact CG2-CD1 3.68Å; I283-I287 HydrophobicContact CG2-CG1 4.32Å; I283-I287 WeakPolarHBondContact O-CB 3.36Å; I283-I287 VanDerWaalsContact O-CG1 3.26Å; I283-I287 WeakPolarHBondContact O-CG1 3.38Å; I283-I287 PolarHBondContact O-N 2.84Å; I287-G289 VanDerWaalsContact C-N 3.34Å; I287-G289 PolarHBondContact O-N 3.49Å; I287-L290 PolarHBondContact O-N 2.8Å; I287-V291 HydrophobicContact CG2-CG2 4.31Å; I287-V291 WeakPolarHBondContact O-CB 3.42Å; I287-V291 VanDerWaalsContact O-CG2 3.32Å; I287-V291 WeakPolarHBondContact O-CG2 3.49Å; I287-V291 PolarHBondContact O-N 3.41Å
288A66.9Low64Low48 Ų4896.1 Ų96.140%0.39757%0.567SS.*Hα-helixtrans-60.1-43.5177.200000111.9V284 V291 L292V284-A288 VanDerWaalsContact O-CB 3.28Å; V284-A288 WeakPolarHBondContact O-CB 3.22Å; V284-A288 PolarHBondContact O-N 3.09Å; A288-V291 PolarHBondContact O-N 2.75Å; A288-L292 WeakPolarHBondContact O-CB 3.39Å; A288-L292 VanDerWaalsContact O-CG 3.3Å; A288-L292 WeakPolarHBondContact O-CG 3.35Å; A288-L292 PolarHBondContact O-N 3.15Å
289G71.4Confident65.3Low33 Ų3390.3 Ų90.334%0.3455%0.55SS.*Hα-helixtrans-60.7-45.217500000113G285 I286 I287 L292 F293G285-G289 PolarHBondContact O-N 3.27Å; I286-G289 PolarHBondContact O-N 3.26Å; I287-G289 VanDerWaalsContact C-N 3.34Å; I287-G289 PolarHBondContact O-N 3.49Å; G289-L292 PolarHBondContact O-N 3.24Å; G289-F293 WeakPolarHBondContact O-CB 3.48Å; G289-F293 PolarHBondContact O-N 3.3Å
290L76.4Confident66.8Low119 Ų11988.1 Ų88.162%0.62354%0.541SS*.Hα-helixtrans-66.3-40.7177.9-73170.4000112.7I286 I287 F293 G294I286-L290 HydrophobicContact CG2-CD1 3.98Å; I286-L290 WeakPolarHBondContact O-CB 3.03Å; I286-L290 WeakPolarHBondContact O-CG 3.25Å; I286-L290 PolarHBondContact O-N 3.19Å; I287-L290 PolarHBondContact O-N 2.8Å; L290-F293 PolarHBondContact O-N 2.89Å; L290-G294 PolarHBondContact O-N 3.45Å
291V75.4Confident67.9Low97 Ų9785.6 Ų85.659%0.58853%0.525SS*.Hα-helixtrans-64-43176169.60000110.8I287 A288 G294 A295I287-V291 HydrophobicContact CG2-CG2 4.31Å; I287-V291 WeakPolarHBondContact O-CB 3.42Å; I287-V291 VanDerWaalsContact O-CG2 3.32Å; I287-V291 WeakPolarHBondContact O-CG2 3.49Å; I287-V291 PolarHBondContact O-N 3.41Å; A288-V291 PolarHBondContact O-N 2.75Å; V291-G294 PolarHBondContact O-N 3.1Å; V291-A295 WeakPolarHBondContact O-CB 3.47Å; V291-A295 PolarHBondContact O-N 3.17Å
292L71.4Confident68.8Low118 Ų11884.4 Ų84.462%0.61852%0.523SS*.Hα-helixtrans-64.6-44.4175.6-72.7169.3000112A288 G289 G294 A295 V296A288-L292 WeakPolarHBondContact O-CB 3.39Å; A288-L292 VanDerWaalsContact O-CG 3.3Å; A288-L292 WeakPolarHBondContact O-CG 3.35Å; A288-L292 PolarHBondContact O-N 3.15Å; G289-L292 PolarHBondContact O-N 3.24Å; L292-G294 PolarHBondContact O-N 2.86Å; L292-A295 PolarHBondContact O-N 3.45Å; L292-V296 WeakPolarHBondContact O-CG2 3.44Å; L292-V296 PolarHBondContact O-N 3.3Å
293F71.2Confident69.7Low151 Ų15183 Ų8366%0.66252%0.518SS*.Hα-helixtrans-61.1-44.2175-111.3-90.1000112.3G289 L290 V296 I297G289-F293 WeakPolarHBondContact O-CB 3.48Å; G289-F293 PolarHBondContact O-N 3.3Å; L290-F293 PolarHBondContact O-N 2.89Å; F293-V296 PolarHBondContact O-N 2.94Å; F293-I297 HydrophobicContact CD1-CD1 4.25Å; F293-I297 WeakPolarHBondContact O-CG1 3.33Å; F293-I297 PolarHBondContact O-N 3.34Å
294G71.4Confident70.3Confident34 Ų3480.2 Ų80.235%0.35151%0.513SS..Hα-helixtrans-60.9-43.417600000112.6L290 V291 L292 T298L290-G294 PolarHBondContact O-N 3.45Å; V291-G294 PolarHBondContact O-N 3.1Å; L292-G294 PolarHBondContact O-N 2.86Å; G294-T298 WeakPolarHBondContact O-CB 2.83Å; G294-T298 PolarHBondContact O-N 3.06Å; G294-T298 PolarHBondContact O-OG1 3.17Å
295A73.9Confident71.1Confident62 Ų6278.1 Ų78.151%0.51250%0.5SS..Hα-helixtrans-63.1-44.6176.100000112.3V291 L292 T298 G299V291-A295 WeakPolarHBondContact O-CB 3.47Å; V291-A295 PolarHBondContact O-N 3.17Å; L292-A295 PolarHBondContact O-N 3.45Å; A295-T298 PolarHBondContact O-N 2.89Å; A295-G299 PolarHBondContact O-N 3.46Å
296V76.7Confident71.7Confident103 Ų10382.2 Ų82.262%0.62451%0.509SS*.Hα-helixtrans-63.3-46.3177.5170.10000111.6L292 F293 G299 A300L292-V296 WeakPolarHBondContact O-CG2 3.44Å; L292-V296 PolarHBondContact O-N 3.3Å; F293-V296 PolarHBondContact O-N 2.94Å; V296-G299 PolarHBondContact O-N 3.18Å; V296-A300 WeakPolarHBondContact O-CB 3.33Å; V296-A300 PolarHBondContact O-N 2.86Å
297I73.2Confident72Confident100 Ų10087.8 Ų87.851%0.51352%0.524SS..Hα-helixtrans-62.9-44.6177.5-69.6170.8000110.6F293 G299 A300 V301F293-I297 HydrophobicContact CD1-CD1 4.25Å; F293-I297 WeakPolarHBondContact O-CG1 3.33Å; F293-I297 PolarHBondContact O-N 3.34Å; I297-G299 PolarHBondContact O-N 2.89Å; I297-A300 PolarHBondContact O-N 2.81Å; I297-V301 HydrophobicContact CG2-CG2 4.45Å; I297-V301 WeakPolarHBondContact O-CG2 3.44Å; I297-V301 PolarHBondContact O-N 2.61Å
298T70.3Confident71.9Confident88 Ų8892.6 Ų92.654%0.5454%0.536SS..Hα-helixtrans-63-44.3179.3-53.20000111.2G294 A295 V301 V302G294-T298 WeakPolarHBondContact O-CB 2.83Å; G294-T298 PolarHBondContact O-N 3.06Å; G294-T298 PolarHBondContact O-OG1 3.17Å; A295-T298 PolarHBondContact O-N 2.89Å; T298-V301 PolarHBondContact O-N 3.19Å; T298-V302 WeakPolarHBondContact O-CG2 3.43Å; T298-V302 PolarHBondContact O-N 2.91Å
299G71.7Confident71.5Confident41 Ų4199.6 Ų99.642%0.42355%0.553SS.*Hα-helixtrans-61.5-43.3175.200000113A295 V296 I297 V302 A303A295-G299 PolarHBondContact O-N 3.46Å; V296-G299 PolarHBondContact O-N 3.18Å; I297-G299 PolarHBondContact O-N 2.89Å; G299-V302 PolarHBondContact O-N 2.81Å; G299-A303 WeakPolarHBondContact O-CB 3.42Å; G299-A303 PolarHBondContact O-N 3.1Å
300A73.6Confident70.6Confident61 Ų61107 Ų10750%0.50458%0.575SS.*Hα-helixtrans-63.6-41.8176.500000112.4V296 I297 A303 A304V296-A300 WeakPolarHBondContact O-CB 3.33Å; V296-A300 PolarHBondContact O-N 2.86Å; I297-A300 PolarHBondContact O-N 2.81Å; A300-A303 PolarHBondContact O-N 3.39Å; A300-A304 WeakPolarHBondContact O-CB 3.35Å; A300-A304 PolarHBondContact O-N 2.82Å
301V74.3Confident69.5Low84 Ų84104.7 Ų104.751%0.50957%0.57SS.*Hα-helixtrans-64.5-45.3175.8170.30000111.2I297 T298 A303 A304 V305I297-V301 HydrophobicContact CG2-CG2 4.45Å; I297-V301 WeakPolarHBondContact O-CG2 3.44Å; I297-V301 PolarHBondContact O-N 2.61Å; T298-V301 PolarHBondContact O-N 3.19Å; V301-A303 PolarHBondContact O-N 3.18Å; V301-A304 PolarHBondContact O-N 3.18Å; V301-V305 HydrophobicContact CG1-CG2 4.39Å; V301-V305 WeakPolarHBondContact O-CB 3.24Å; V301-V305 VanDerWaalsContact O-CG2 3.31Å; V301-V305 WeakPolarHBondContact O-CG2 3.47Å; V301-V305 PolarHBondContact O-N 2.94Å
302V73.1Confident68.4Low80 Ų80104.3 Ų104.349%0.48557%0.571SS.*Hα-helixtrans-61-45.6176.6170.90000111T298 G299 A304 V305 M306T298-V302 WeakPolarHBondContact O-CG2 3.43Å; T298-V302 PolarHBondContact O-N 2.91Å; G299-V302 PolarHBondContact O-N 2.81Å; V302-A304 PolarHBondContact O-N 3.38Å; V302-V305 PolarHBondContact O-N 3.4Å; V302-M306 HydrophobicContact CG1-CG 4.5Å; V302-M306 HydrophobicContact CG1-SD 4.09Å; V302-M306 WeakPolarHBondContact O-CB 3.5Å; V302-M306 WeakPolarHBondContact O-CG 3.27Å; V302-M306 PolarHBondContact O-N 3.32Å
303A70.3Confident67.1Low58 Ų58106.1 Ų106.148%0.47958%0.581SS.*Hα-helixtrans-60.4-44.3176.400000112.3G299 A300 V301 M306 W307G299-A303 WeakPolarHBondContact O-CB 3.42Å; G299-A303 PolarHBondContact O-N 3.1Å; A300-A303 PolarHBondContact O-N 3.39Å; V301-A303 PolarHBondContact O-N 3.18Å; A303-M306 PolarHBondContact O-N 2.84Å; A303-W307 WeakPolarHBondContact O-CB 3.31Å; A303-W307 PolarHBondContact O-N 3.28Å
304A71.5Confident65.9Low56 Ų56109.4 Ų109.446%0.46359%0.589SS.*Hα-helixtrans-65.6-37.9177.500000112.9A300 V301 V302 W307 R308A300-A304 WeakPolarHBondContact O-CB 3.35Å; A300-A304 PolarHBondContact O-N 2.82Å; V301-A304 PolarHBondContact O-N 3.18Å; V302-A304 PolarHBondContact O-N 3.38Å; A304-W307 PolarHBondContact O-N 2.77Å; A304-R308 WeakPolarHBondContact O-CB 3.23Å; A304-R308 PolarHBondContact O-N 2.75Å
305V71.2Confident64.3Low77 Ų77117.5 Ų117.547%0.46762%0.615SS.*Hα-helixtrans-68.6-40.9175.4169.50000111.4V301 V302 R308 R309V301-V305 HydrophobicContact CG1-CG2 4.39Å; V301-V305 WeakPolarHBondContact O-CB 3.24Å; V301-V305 VanDerWaalsContact O-CG2 3.31Å; V301-V305 WeakPolarHBondContact O-CG2 3.47Å; V301-V305 PolarHBondContact O-N 2.94Å; V302-V305 PolarHBondContact O-N 3.4Å; V305-R308 PolarHBondContact O-N 3.12Å; V305-R309 PolarHBondContact O-N 3.1Å
306M71.3Confident62.4Low129 Ų129118.5 Ų118.564%0.63563%0.631SS**Hα-helixtrans-63.8-41.4173.6-72.6-179.170.400111.8V302 A303 R309 K310V302-M306 HydrophobicContact CG1-CG 4.5Å; V302-M306 HydrophobicContact CG1-SD 4.09Å; V302-M306 WeakPolarHBondContact O-CB 3.5Å; V302-M306 WeakPolarHBondContact O-CG 3.27Å; V302-M306 PolarHBondContact O-N 3.32Å; A303-M306 PolarHBondContact O-N 2.84Å; M306-R309 PolarHBondContact O-N 3.44Å; M306-K310 WeakPolarHBondContact O-CB 3.41Å; M306-K310 PolarHBondContact O-N 3Å
307W69.9Low60.3Low208 Ų208117.3 Ų117.379%0.78864%0.64SS**Hα-helixtrans-62.2-45.9174.1-162.3-58.5000111.3A303 A304 K310 S311A303-W307 WeakPolarHBondContact O-CB 3.31Å; A303-W307 PolarHBondContact O-N 3.28Å; A304-W307 PolarHBondContact O-N 2.77Å; W307-K310 PolarHBondContact O-N 3.24Å; W307-S311 PolarHBondContact O-N 3.08Å; W307-S311 PolarHBondContact O-OG 3.18Å
308R64.3Low58.4Low197 Ų197117.9 Ų117.974%0.74365%0.653SS**Hα-helixtrans-58.5-48.7175.4-91.1-173.9168.3-178.9-2.6112A304 V305 K310 S311 S312A304-R308 WeakPolarHBondContact O-CB 3.23Å; A304-R308 PolarHBondContact O-N 2.75Å; V305-R308 PolarHBondContact O-N 3.12Å; R308-K310 VanDerWaalsContact C-N 3.3Å; R308-K310 PolarHBondContact O-N 3.07Å; R308-S311 WeakPolarHBondContact CA-OG 3.39Å; R308-S311 PolarHBondContact O-N 2.95Å; R308-S311 PolarHBondContact O-OG 3.1Å; R308-S312 PolarHBondContact O-N 3.04Å; R308-S312 PolarHBondContact O-OG 3.38Å
309R59Low56.6Low196 Ų196124 Ų12474%0.7467%0.667SS**Hα-helixtrans-58.2-38.9175.6-87.7-174.1164.7-178.4-4.3112.9V305 M306 S311 S312V305-R309 PolarHBondContact O-N 3.1Å; M306-R309 PolarHBondContact O-N 3.44Å; R309-S311 VanDerWaalsContact C-N 3.26Å; R309-S311 PolarHBondContact O-N 3.45Å; R309-S312 WeakPolarHBondContact CA-OG 3.48Å; R309-S312 PolarHBondContact O-OG 3.2Å
310K52.9Low54.8Low187 Ų187127.4 Ų127.481%0.81369%0.685SS**Hα-helixtrans-70.3-20.9175.7-164.4172.8-177.5178.50113.4M306 W307 R308M306-K310 WeakPolarHBondContact O-CB 3.41Å; M306-K310 PolarHBondContact O-N 3Å; W307-K310 PolarHBondContact O-N 3.24Å; R308-K310 VanDerWaalsContact C-N 3.3Å; R308-K310 PolarHBondContact O-N 3.07Å
311S52.8Low52.9Low72 Ų72133.3 Ų133.350%0.50370%0.702SS.*Hα-helixtrans-91.9-26.2176.868.60000114.6W307 R308 R309 D313W307-S311 PolarHBondContact O-N 3.08Å; W307-S311 PolarHBondContact O-OG 3.18Å; R308-S311 WeakPolarHBondContact CA-OG 3.39Å; R308-S311 PolarHBondContact O-N 2.95Å; R308-S311 PolarHBondContact O-OG 3.1Å; R309-S311 VanDerWaalsContact C-N 3.26Å; R309-S311 PolarHBondContact O-N 3.45Å; S311-D313 VanDerWaalsContact C-N 3.3Å; S311-D313 PolarHBondContact O-N 2.76Å
312S52Low51Low89 Ų89133.8 Ų133.862%0.62272%0.715SS**Hα-helixtrans-72.4-19.3-177.947.70000114.3R308 R309 R314R308-S312 PolarHBondContact O-N 3.04Å; R308-S312 PolarHBondContact O-OG 3.38Å; R309-S312 WeakPolarHBondContact CA-OG 3.48Å; R309-S312 PolarHBondContact O-OG 3.2Å; S312-R314 PolarHBondContact O-N 2.85Å; S312-R314 VanDerWaalsContact O-N 3.11Å
313D45.6Very low49.1Very low156 Ų156134.1 Ų134.183%0.83473%0.726SS**THydrogen-bonded Turntrans-76.99.9-176.6-12813.4000113.9S311S311-D313 VanDerWaalsContact C-N 3.3Å; S311-D313 PolarHBondContact O-N 2.76Å
314R45.2Very low47.4Very low220 Ų220137.1 Ų137.183%0.8374%0.743SS**SBendtrans-145.559.7-173.6-158.9-179178175.6-0.1115.4S312S312-R314 PolarHBondContact O-N 2.85Å; S312-R314 VanDerWaalsContact O-N 3.11Å
315K36.9Very low45.8Very low204 Ų204139.3 Ų139.389%0.88776%0.755SS**  trans170.2131.1136.1-96.2165.1-179.7-1740111.8
316G34.6Very low44.1Very low82 Ų82142.8 Ų142.885%0.84577%0.771SS**  trans-108.4165.3154.700000110.6
317G32.8Very low42.7Very low79 Ų79142 Ų14281%0.81478%0.778SS**  trans153.295.1170.500000117.6
318S32.4Very low41.3Very low112 Ų112136.3 Ų136.378%0.78378%0.776SS**  trans49.1113.9145-158.40000124
319Y33.3Very low40.1Very low216 Ų216136.3 Ų136.385%0.84778%0.784SS**  trans4.4127.9136.2-72.6-91.9000123.3
320S33.8Very low38.9Very low112 Ų112129.9 Ų129.978%0.78378%0.779SS**  -176.5134.7113.552.10000108.5
321Q34.4Very low38.3Very low185 Ų185126.3 Ų126.386%0.86478%0.777SS**  74.5124.553.4-173.6177.2-5.300112.7
322A33.7Very low37.5Very low94 Ų94130 Ų13078%0.77779%0.792SS**  cis-117-151.86.400000111.5
323A33.6Very low36.7Very low87 Ų87131 Ų13172%0.71979%0.794SS**  cis-151.1161.25.400000110.4
324S33.5Very low36.2Very low121 Ų121128.6 Ų128.685%0.84679%0.789SS**  48.4128.293-150.90000116.1
325S38.3Very low35.9Very low103 Ų103125.9 Ų125.972%0.7279%0.79SS**  cis-146.3170.221.560.90000115.8
326D36.6Very low35.8Very low150 Ų150123.1 Ų123.180%0.80279%0.791SS**  trans-40.6153.2175-49.2-70.5000116.8
327S42.1Very low35.7Very low111 Ų111123.1 Ų123.178%0.77678%0.783SS**  -152.9146.363.9390000112.6
328A38.8Very low35.7Very low89 Ų89125.4 Ų125.474%0.73679%0.785SS**  61.4124.865.300000113
329Q40Very low35.7Very low197 Ų197128.6 Ų128.692%0.92179%0.785SS**  cis-132.8156.65.7-87.9161.3-63.200109.6
330G33.9Very low35.7Very low61 Ų61128 Ų12863%0.62980%0.803SS**  107.1117.174.400000109.7
331S39.9Very low35.8Very low112 Ų112128.8 Ų128.878%0.78380%0.804SS**  78.3131.584.667.10000114.1
332D37.2Very low35.9Very low150 Ų150125.8 Ų125.880%0.80280%0.801SS**  cis-169175.6-12.2-136.7-30.9000112.1
333V35.2Very low36Very low110 Ų110127.6 Ų127.667%0.66780%0.802SS**  trans40.2120.9150.5172.50000121.6
334S35.2Very low36.2Very low106 Ų106130 Ų13074%0.74181%0.807SS**  trans154.8123.4134.9-71.10000109.9
335L37.5Very low36.4Very low162 Ų162130.6 Ų130.685%0.84880%0.804SS**  54.2110.160.1-72.2178000115.7
336T34.9Very low36.2Very low146 Ų146132.4 Ų132.490%0.89681%0.81SS**  -174.8167.2114.8-69.60000108.9
337A33.4Very low36.2Very low82 Ų82131.1 Ų131.168%0.67881%0.811SS**  trans-117.1-171.7-170.100000113.6
338C32.6Very low35.7Very low128 Ų128132.7 Ų132.787%0.86581%0.813SS**  trans71.9163174.1-680000116.6
339K31.3Very low35.5Very low179 Ų179136.3 Ų136.378%0.77882%0.82SS**  cis175.5129-32.2172.8-173.3173.1-1720106.1
340V34.9Very low35.1Very low203 Ų203130.8 Ų130.8100%1.2381%0.811SS**  trans-132.60145.7-1790000106.1

Retrieved 340 of 340 residues in 63.5 ms (Link to these results)

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