A0A060S0N7_HUMAN Loading...

MHC class I antigen

AlphaFold DB , UniProt , Accession A0A060S0N7, Species HUMAN (Homo sapiens, Human), Gene HLA-C, Length 181 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1S93.2Very high97.9Very high94 Ų9437.1 Ų37.166%0.65720%0.2SC*.  0147.90-54.80000107.8L102S1-L102 WeakPolarHBondContact CA-O 3.44Å; S1-L102 VanDerWaalsContact CB-O 3.28Å; S1-L102 WeakPolarHBondContact CB-O 3.27Å
2H97.4Very high97.8Very high50 Ų5035.9 Ų35.923%0.23120%0.197CC..EExtended strand (participates in β ladder)trans-138.9158.6-179.3-67.3-76.8000110D28 D101 L102 L167 L171H2-D28 WeakPolarHBondContact CA-OD1 3.18Å; H2-D28 IonicContact CE1-OD2 3.45Å; H2-D28 IonicContact CG-OD2 3.54Å; H2-D28 IonicContact ND1-OD1 3.62Å; H2-D28 IonicContact ND1-OD2 2.62Å; H2-D28 PolarHBondContact ND1-OD2 3.2Å; H2-D101 CarbonylContact O-C 3.42Å; H2-D101 WeakPolarHBondContact O-CA 3.47Å; H2-L102 PolarHBondContact N-O 3.32Å; H2-L102 VanDerWaalsContact N-O 3.15Å; H2-L102 PolarHBondContact O-N 3Å; H2-L167 HydrophobicContact CB-CD1 4.38Å; H2-L171 HydrophobicContact CB-CD1 3.65Å; H2-L171 HydrophobicContact CB-CD2 4Å; H2-L171 HydrophobicContact CB-CG 4.4Å; H2-L171 WeakPolarHBondContact ND1-CD2 3.49Å
3S98.3Very high97.4Very high25 Ų2538 Ų3818%0.17520%0.2CC..EExtended strand (participates in β ladder)trans-133.3152.1179.763.60000111.7V27 D28 C100 D101S3-V27 CarbonylContact O-C 3.59Å; S3-V27 WeakPolarHBondContact O-CA 3.45Å; S3-D28 PolarHBondContact N-OD1 3.04Å; S3-D28 PolarHBondContact O-N 2.65Å; S3-C100 WeakPolarHBondContact CA-O 3.2Å; S3-D101 VanDerWaalsContact CB-OD1 3.23Å; S3-D101 WeakPolarHBondContact CB-OD1 3.48Å
4M98.7Very high96.6Very high2 Ų238.8 Ų38.81%0.0121%0.209CC..EExtended strand (participates in β ladder)trans-127127.2167.1-172.7168.763.700108.2Y6 Y26 V27 F32 G99 C100 C163 W166 L167 Y170M4-Y6 HydrophobicContact CE-CE2 4.35Å; M4-Y6 HydrophobicContact CG-CE2 4.21Å; M4-Y6 HydrophobicContact SD-CE2 4.19Å; M4-Y26 CarbonylContact C-O 3.47Å; M4-Y26 VanDerWaalsContact CA-O 3.29Å; M4-Y26 WeakPolarHBondContact CA-O 3.34Å; M4-V27 HydrophobicContact CG-CG2 4.35Å; M4-F32 HydrophobicContact CG-CE1 4.47Å; M4-F32 HydrophobicContact SD-CZ 4.48Å; M4-G99 CarbonylContact O-C 3.56Å; M4-G99 WeakPolarHBondContact O-CA 3.23Å; M4-C100 PolarHBondContact N-O 2.82Å; M4-C100 PolarHBondContact O-N 3.29Å; M4-C163 HydrophobicContact CE-CB 4.18Å; M4-C163 WeakPolarHBondContact CE-O 3.41Å; M4-C163 WeakPolarHBondContact CE-SG 3.33Å; M4-W166 HydrophobicContact CE-CB 4.14Å; M4-W166 HydrophobicContact SD-CB 4.46Å; M4-L167 HydrophobicContact CB-CB 4.06Å; M4-L167 HydrophobicContact CB-CD1 4.05Å; M4-L167 HydrophobicContact CB-CD2 3.95Å; M4-L167 HydrophobicContact CB-CG 4.24Å; M4-L167 HydrophobicContact CE-CB 4.32Å; M4-L167 HydrophobicContact SD-CB 4.34Å; M4-Y170 HydrophobicContact SD-CD2 3.74Å; M4-Y170 HydrophobicContact SD-CE2 3.58Å; M4-Y170 VanDerWaalsContact SD-CE2 3.58Å
5R98.6Very high95.7Very high52 Ų5242.1 Ų42.120%0.19626%0.256CS..EExtended strand (participates in β ladder)trans-134.1133-176.5-61.6-70177.790.87.1110.6F7 G25 Y26 M97 S98 D101 Y112R5-F7 HydrophobicContact CB-CD2 4.41Å; R5-F7 HydrophobicContact CB-CE2 3.6Å; R5-F7 HydrophobicContact CB-CZ 3.95Å; R5-G25 CarbonylContact O-C 3.57Å; R5-G25 WeakPolarHBondContact O-CA 3.46Å; R5-Y26 PolarHBondContact N-O 3.44Å; R5-Y26 PolarHBondContact O-N 3.34Å; R5-M97 VanDerWaalsContact CD-SD 3.52Å; R5-S98 WeakPolarHBondContact CA-O 3.38Å; R5-D101 IonicContact CZ-OD1 2.75Å; R5-D101 IonicContact NE-OD1 2.87Å; R5-D101 PolarHBondContact NE-OD1 2.84Å; R5-D101 IonicContact NH2-OD1 3.25Å; R5-D101 PolarHBondContact NH2-OD1 2.83Å; R5-D101 IonicContact NH2-OD2 3.59Å; R5-D101 PolarHBondContact NH2-OD2 2.82Å; R5-Y112 PolarHBondContact NH2-OH 2.87Å; R5-Y112 VanDerWaalsContact NH2-OH 3.16Å
6Y98.7Very high94.9Very high20 Ų2052.8 Ų52.88%0.07829%0.29CS..EExtended strand (participates in β ladder)trans-108.8137.1166.7-72.1-93000109.3M4 V24 F32 V33 M97 S98M4-Y6 HydrophobicContact CE-CE2 4.35Å; M4-Y6 HydrophobicContact CG-CE2 4.21Å; M4-Y6 HydrophobicContact SD-CE2 4.19Å; Y6-V24 CarbonylContact C-O 3.6Å; Y6-V24 WeakPolarHBondContact CA-O 3.28Å; Y6-F32 HydrophobicContact CE1-CZ 4.21Å; Y6-F32 HydrophobicContact CE2-CZ 4.45Å; Y6-F32 AromaticContact CZ-CZ 3.79Å; Y6-F32 WeakPolarHBondContact OH-CZ 3.49Å; Y6-V33 HydrophobicContact CE1-CG1 3.91Å; Y6-M97 WeakPolarHBondContact O-CA 3.38Å; Y6-S98 PolarHBondContact N-O 2.84Å; Y6-S98 PolarHBondContact O-N 2.96Å
7F98.8Very high93.9Very high84 Ų8453.2 Ų53.237%0.36831%0.31SS..EExtended strand (participates in β ladder)trans-121.4110.8175.4-57.8-93.8000108.6R5 S23 V24 Y26 R96 M97R5-F7 HydrophobicContact CB-CD2 4.41Å; R5-F7 HydrophobicContact CB-CE2 3.6Å; R5-F7 HydrophobicContact CB-CZ 3.95Å; F7-S23 WeakPolarHBondContact O-CA 3.2Å; F7-V24 HydrophobicContact CB-CG2 3.85Å; F7-V24 HydrophobicContact CD2-CG2 4.29Å; F7-V24 PolarHBondContact N-O 3.28Å; F7-V24 PolarHBondContact O-N 3.39Å; F7-Y26 AromaticContact CD2-CD2 3.99Å; F7-Y26 HydrophobicContact CD2-CD2 3.99Å; F7-Y26 HydrophobicContact CD2-CE2 4.37Å; F7-Y26 AromaticContact CE2-CD2 3.94Å; F7-Y26 HydrophobicContact CE2-CD2 3.94Å; F7-R96 WeakPolarHBondContact CA-O 3.41Å; F7-M97 HydrophobicContact CD1-CB 4.08Å; F7-M97 HydrophobicContact CD1-CG 3.75Å; F7-M97 HydrophobicContact CE1-CB 4.19Å; F7-M97 HydrophobicContact CE1-CG 3.46Å; F7-M97 VanDerWaalsContact CE1-CG 3.46Å; F7-M97 HydrophobicContact CZ-CG 4.09Å
8D98.7Very high93.2Very high10 Ų1056.9 Ų56.95%0.05332%0.323CS..EExtended strand (participates in β ladder)trans-99.6137.4175.9-60.2-31.6000108.7F21 I22 S23 Q95 R96D8-F21 HydrophobicContact CB-CE2 3.86Å; D8-F21 HydrophobicContact CB-CZ 4.06Å; D8-I22 CarbonylContact C-O 3.51Å; D8-I22 WeakPolarHBondContact CA-O 3.37Å; D8-S23 WeakPolarHBondContact OD1-CB 3.34Å; D8-S23 PolarHBondContact OD1-OG 3.31Å; D8-Q95 CarbonylContact O-C 3.53Å; D8-Q95 VanDerWaalsContact O-CA 3.29Å; D8-Q95 WeakPolarHBondContact O-CA 3.41Å; D8-R96 HydrophobicContact CB-CB 4.24Å; D8-R96 PolarHBondContact N-O 3.42Å; D8-R96 PolarHBondContact O-N 3.25Å
9T98.8Very high93Very high35 Ų3554.9 Ų54.922%0.21531%0.311CS..EExtended strand (participates in β ladder)trans-136.8118.2176.2-61.40000109.2V11 F21 I22 T93 L94 Q95T9-V11 HydrophobicContact CG2-CG2 4.08Å; T9-F21 WeakPolarHBondContact O-CA 3.4Å; T9-I22 PolarHBondContact N-O 3.49Å; T9-I22 PolarHBondContact O-N 3.19Å; T9-T93 HydrophobicContact CG2-CG2 3.97Å; T9-L94 WeakPolarHBondContact CA-O 3.16Å; T9-Q95 HydrophobicContact CG2-CG 4.14Å
10A98.3Very high93.2Very high0 Ų056.3 Ų56.30%031%0.311CS..EExtended strand (participates in β ladder)trans-112.413017500000110.2R20 F21 D73 L77 T93 L94A10-R20 CarbonylContact C-O 3.57Å; A10-R20 VanDerWaalsContact CA-O 3.25Å; A10-R20 WeakPolarHBondContact CA-O 3.22Å; A10-F21 HydrophobicContact CB-CD2 4.25Å; A10-D73 HydrophobicContact CB-CB 3.58Å; A10-L77 HydrophobicContact CB-CD1 3.87Å; A10-T93 CarbonylContact O-C 3.54Å; A10-T93 WeakPolarHBondContact O-CA 3.08Å; A10-L94 HydrophobicContact CB-CB 4.46Å; A10-L94 PolarHBondContact N-O 2.92Å; A10-L94 PolarHBondContact O-N 2.91Å
11V97.9Very high93.5Very high36 Ų3653.6 Ų53.622%0.21830%0.296CS..EExtended strand (participates in β ladder)trans-124.4119.7-177.6-174.20000109.8T9 R13 H19 R20 H92 T93T9-V11 HydrophobicContact CG2-CG2 4.08Å; V11-R13 HydrophobicContact CG1-CG 4.26Å; V11-H19 CarbonylContact O-C 3.57Å; V11-H19 VanDerWaalsContact O-CA 3.24Å; V11-H19 WeakPolarHBondContact O-CA 3.42Å; V11-H19 WeakPolarHBondContact O-CB 3.44Å; V11-R20 PolarHBondContact N-O 2.82Å; V11-R20 PolarHBondContact O-N 3.11Å; V11-H92 WeakPolarHBondContact CA-O 3.34Å; V11-T93 HydrophobicContact CG2-CG2 4.18Å
12S95.8Very high93.7Very high23 Ų2350.8 Ų50.816%0.16127%0.274CS..  trans-74.5138.9170.169.20000110.2S91 H92S12-S91 WeakPolarHBondContact O-CB 3.23Å; S12-S91 PolarHBondContact O-OG 3.31Å; S12-H92 PolarHBondContact N-O 3.22Å; S12-H92 PolarHBondContact OG-N 3.08Å; S12-H92 PolarHBondContact OG-O 3.14Å
13R92.8Very high93.8Very high63 Ų6348.4 Ų48.424%0.23826%0.263CS..  trans-13471.1-175.3-61-177.1-66.9-166.2-9.4111.6V11 G15 R16 E18 D38V11-R13 HydrophobicContact CG1-CG 4.26Å; R13-G15 PolarHBondContact O-N 2.95Å; R13-R16 HydrophobicContact CB-CB 4.21Å; R13-R16 PolarHBondContact O-N 3.33Å; R13-E18 VanDerWaalsContact CZ-O 3.29Å; R13-E18 PolarHBondContact NE-O 3.33Å; R13-E18 PolarHBondContact NH2-O 3.39Å; R13-D38 IonicContact CZ-OD1 3.65Å; R13-D38 IonicContact CZ-OD2 3.76Å; R13-D38 IonicContact NH1-OD1 3.9Å; R13-D38 IonicContact NH1-OD2 3.75Å; R13-D38 PolarHBondContact NH1-OD2 3.15Å; R13-D38 IonicContact NH2-OD1 3.12Å; R13-D38 PolarHBondContact NH2-OD1 2.73Å; R13-D38 IonicContact NH2-OD2 3.45Å; R13-D38 PolarHBondContact NH2-OD2 2.77Å
14P86.8Confident93.8Very high49 Ų4948.3 Ų48.332%0.31826%0.261SS..THydrogen-bonded Turntrans-51.2130.3179.1-24.834.7000111.4R16 E88 G90P14-R16 PolarHBondContact O-N 2.99Å; P14-E88 WeakPolarHBondContact CB-O 3.49Å; P14-E88 WeakPolarHBondContact CG-O 3.47Å; P14-G90 VanDerWaalsContact CG-O 3.28Å; P14-G90 WeakPolarHBondContact CG-O 3.29Å
15G83.2Confident93.8Very high89 Ų8948.2 Ų48.292%0.91826%0.26SS*.THydrogen-bonded Turntrans71.63-179.900000116.6R13R13-G15 PolarHBondContact O-N 2.95Å
16R82.4Confident93.8Very high212 Ų21249 Ų4980%0.826%0.264SS*.SBendtrans-126.923.7-176.9-58.5-175.8-178-1720.8114.3R13 P14R13-R16 HydrophobicContact CB-CB 4.21Å; R13-R16 PolarHBondContact O-N 3.33Å; P14-R16 PolarHBondContact O-N 2.99Å
17G78.8Confident93.8Very high61 Ų6148.1 Ų48.163%0.62926%0.26SS*.SBendtrans106.4-164.117700000114
18E80.9Confident93.7Very high119 Ų11945.8 Ų45.856%0.55625%0.252SS*.SBendtrans-66.6162.6174.9-64.3-150.1124.700111.4R13 R74R13-E18 VanDerWaalsContact CZ-O 3.29Å; R13-E18 PolarHBondContact NE-O 3.33Å; R13-E18 PolarHBondContact NH2-O 3.39Å; E18-R74 IonicContact OE1-CZ 3.19Å; E18-R74 IonicContact OE1-NH1 2.72Å; E18-R74 PolarHBondContact OE1-NH1 3.06Å; E18-R74 IonicContact OE1-NH2 3.53Å; E18-R74 PolarHBondContact OE1-NH2 2.83Å
19H89.9Confident93.6Very high20 Ų2053 Ų539%0.09329%0.29CS..PPolyproline II helixtrans-61.8145.517569.9-65.9000109.8V11 A70 R74V11-H19 CarbonylContact O-C 3.57Å; V11-H19 VanDerWaalsContact O-CA 3.24Å; V11-H19 WeakPolarHBondContact O-CA 3.42Å; V11-H19 WeakPolarHBondContact O-CB 3.44Å; H19-A70 PolarHBondContact NE2-O 3.12Å; H19-R74 VanDerWaalsContact CE1-CB 3.41Å; H19-R74 WeakPolarHBondContact CE1-CB 3.44Å; H19-R74 WeakPolarHBondContact ND1-CG 3.25Å
20R96.8Very high93.5Very high82 Ų8254 Ų5431%0.30930%0.296SS..EExtended strand (participates in β ladder)trans-87.7138.7174.3-167.3173.9-178.1-178.6-2.3109A10 V11 I22 D36 D38A10-R20 CarbonylContact C-O 3.57Å; A10-R20 VanDerWaalsContact CA-O 3.25Å; A10-R20 WeakPolarHBondContact CA-O 3.22Å; V11-R20 PolarHBondContact N-O 2.82Å; V11-R20 PolarHBondContact O-N 3.11Å; R20-I22 HydrophobicContact CG-CG1 4.29Å; R20-D36 IonicContact CZ-OD1 3.67Å; R20-D36 IonicContact CZ-OD2 3.65Å; R20-D36 IonicContact NE-OD1 2.63Å; R20-D36 PolarHBondContact NE-OD1 3.05Å; R20-D36 VanDerWaalsContact NE-OD1 3.12Å; R20-D36 IonicContact NE-OD2 3.67Å; R20-D36 IonicContact NH2-OD1 3.66Å; R20-D36 IonicContact NH2-OD2 3.49Å; R20-D36 PolarHBondContact NH2-OD2 3.47Å; R20-D38 VanDerWaalsContact CD-OD2 3.23Å; R20-D38 WeakPolarHBondContact CD-OD2 3.18Å; R20-D38 IonicContact NE-OD2 3.6Å; R20-D38 PolarHBondContact NE-OD2 3.26Å
21F98.4Very high93.5Very high0 Ų056.6 Ų56.60%031%0.308CS..EExtended strand (participates in β ladder)trans-126.6128.2170.5176.8-94.2000109.9D8 T9 A10 F35 S37 Q69 A70 D73D8-F21 HydrophobicContact CB-CE2 3.86Å; D8-F21 HydrophobicContact CB-CZ 4.06Å; T9-F21 WeakPolarHBondContact O-CA 3.4Å; A10-F21 HydrophobicContact CB-CD2 4.25Å; F21-F35 AromaticContact CD1-CD1 3.7Å; F21-F35 HydrophobicContact CD1-CD1 3.7Å; F21-F35 AromaticContact CD1-CE1 3.76Å; F21-F35 HydrophobicContact CD1-CE1 3.76Å; F21-F35 AromaticContact CE1-CD1 3.94Å; F21-F35 HydrophobicContact CE1-CD1 3.94Å; F21-F35 HydrophobicContact CE1-CE1 4.3Å; F21-S37 PolarHBondContact N-OG 3.07Å; F21-S37 PolarHBondContact O-N 3.39Å; F21-S37 PolarHBondContact O-OG 2.93Å; F21-Q69 HydrophobicContact CE2-CB 4.31Å; F21-Q69 HydrophobicContact CE2-CG 3.76Å; F21-Q69 HydrophobicContact CZ-CB 3.91Å; F21-Q69 HydrophobicContact CZ-CG 3.66Å; F21-A70 HydrophobicContact CB-CB 3.65Å; F21-A70 HydrophobicContact CD1-CB 3.73Å; F21-A70 HydrophobicContact CD2-CB 4.14Å; F21-A70 HydrophobicContact CE1-CB 4.42Å; F21-A70 HydrophobicContact CG-CB 3.56Å; F21-D73 WeakPolarHBondContact CE2-OD2 3.29Å
22I98.6Very high93.6Very high35 Ų3554.9 Ų54.918%0.17930%0.298CS..EExtended strand (participates in β ladder)trans-124.1135.1174.5-58.3173000107.4D8 T9 R20 V24 F35D8-I22 CarbonylContact C-O 3.51Å; D8-I22 WeakPolarHBondContact CA-O 3.37Å; T9-I22 PolarHBondContact N-O 3.49Å; T9-I22 PolarHBondContact O-N 3.19Å; R20-I22 HydrophobicContact CG-CG1 4.29Å; I22-V24 HydrophobicContact CG2-CG1 4.28Å; I22-F35 WeakPolarHBondContact CA-O 3.34Å
23S98.8Very high93.7Very high0 Ų053.8 Ų53.80%029%0.29CS..EExtended strand (participates in β ladder)trans-125.9135.4168.4-173.10000109.2F7 D8 R34 F35 Y66F7-S23 WeakPolarHBondContact O-CA 3.2Å; D8-S23 WeakPolarHBondContact OD1-CB 3.34Å; D8-S23 PolarHBondContact OD1-OG 3.31Å; S23-R34 CarbonylContact O-C 3.54Å; S23-R34 WeakPolarHBondContact O-CA 3.34Å; S23-F35 PolarHBondContact N-O 2.6Å; S23-F35 PolarHBondContact O-N 2.83Å; S23-Y66 VanDerWaalsContact OG-CE1 3.3Å; S23-Y66 WeakPolarHBondContact OG-CE1 3.49Å
24V98.8Very high94Very high23 Ų2353.9 Ų53.914%0.13929%0.291CS..EExtended strand (participates in β ladder)trans-130.6139.9172.5-63.80000109.9Y6 F7 I22 Y26 Q31 V33 R34Y6-V24 CarbonylContact C-O 3.6Å; Y6-V24 WeakPolarHBondContact CA-O 3.28Å; F7-V24 HydrophobicContact CB-CG2 3.85Å; F7-V24 HydrophobicContact CD2-CG2 4.29Å; F7-V24 PolarHBondContact N-O 3.28Å; F7-V24 PolarHBondContact O-N 3.39Å; I22-V24 HydrophobicContact CG2-CG1 4.28Å; V24-Y26 HydrophobicContact CB-CE2 4.25Å; V24-Y26 HydrophobicContact CG2-CD2 4.47Å; V24-Y26 HydrophobicContact CG2-CE2 3.88Å; V24-Q31 VanDerWaalsContact CG1-NE2 3.29Å; V24-V33 WeakPolarHBondContact CA-O 3.46Å; V24-R34 HydrophobicContact CG1-CB 4.39Å; V24-R34 HydrophobicContact CG1-CG 4.13Å
25G98.7Very high94.5Very high0 Ų051.8 Ų51.80%028%0.277CS..EExtended strand (participates in β ladder)trans-117.1140.717800000111.5R5 Q31 F32 V33R5-G25 CarbonylContact O-C 3.57Å; R5-G25 WeakPolarHBondContact O-CA 3.46Å; G25-Q31 WeakPolarHBondContact O-CA 3.23Å; G25-F32 WeakPolarHBondContact O-CD1 3.44Å; G25-F32 PolarHBondContact O-N 3.2Å; G25-V33 PolarHBondContact N-O 2.88Å; G25-V33 PolarHBondContact O-N 2.81Å
26Y98.8Very high95.3Very high69 Ų6948.6 Ų48.627%0.27124%0.239SC..EExtended strand (participates in β ladder)trans-124.8140.5179.1-75.8-100.3000110.4M4 R5 F7 V24 T30 Q31M4-Y26 CarbonylContact C-O 3.47Å; M4-Y26 VanDerWaalsContact CA-O 3.29Å; M4-Y26 WeakPolarHBondContact CA-O 3.34Å; R5-Y26 PolarHBondContact N-O 3.44Å; R5-Y26 PolarHBondContact O-N 3.34Å; F7-Y26 AromaticContact CD2-CD2 3.99Å; F7-Y26 HydrophobicContact CD2-CD2 3.99Å; F7-Y26 HydrophobicContact CD2-CE2 4.37Å; F7-Y26 AromaticContact CE2-CD2 3.94Å; F7-Y26 HydrophobicContact CE2-CD2 3.94Å; V24-Y26 HydrophobicContact CB-CE2 4.25Å; V24-Y26 HydrophobicContact CG2-CD2 4.47Å; V24-Y26 HydrophobicContact CG2-CE2 3.88Å; Y26-T30 WeakPolarHBondContact CA-O 3.26Å; Y26-Q31 HydrophobicContact CD1-CB 4.06Å; Y26-Q31 VanDerWaalsContact CD1-N 3.35Å; Y26-Q31 HydrophobicContact CD2-CG 4.49Å; Y26-Q31 HydrophobicContact CE1-CB 3.57Å; Y26-Q31 HydrophobicContact CE1-CG 4.31Å; Y26-Q31 HydrophobicContact CE2-CB 4.19Å; Y26-Q31 HydrophobicContact CE2-CG 4.01Å
27V98.5Very high96Very high0 Ų040 Ų400%021%0.211CC..EExtended strand (participates in β ladder)trans-111.6119157.9175.40000106.2S3 M4 D29 T30 F32 W50 L167 Y170 L171 L178S3-V27 CarbonylContact O-C 3.59Å; S3-V27 WeakPolarHBondContact O-CA 3.45Å; M4-V27 HydrophobicContact CG-CG2 4.35Å; V27-D29 PolarHBondContact O-N 2.79Å; V27-T30 PolarHBondContact N-O 2.91Å; V27-T30 WeakPolarHBondContact O-CB 3.47Å; V27-T30 PolarHBondContact O-N 3.08Å; V27-F32 HydrophobicContact CG2-CD1 3.91Å; V27-F32 HydrophobicContact CG2-CE1 3.97Å; V27-W50 HydrophobicContact CB-CH2 4.19Å; V27-W50 HydrophobicContact CB-CZ2 4.25Å; V27-W50 HydrophobicContact CG2-CH2 3.75Å; V27-W50 HydrophobicContact CG2-CZ2 4.32Å; V27-L167 HydrophobicContact CG1-CD1 3.66Å; V27-L167 HydrophobicContact CG2-CD1 4.31Å; V27-Y170 HydrophobicContact CG2-CD2 3.83Å; V27-Y170 HydrophobicContact CG2-CG 4.33Å; V27-L171 HydrophobicContact CG1-CD2 4.08Å; V27-L178 HydrophobicContact CB-CD1 4.4Å; V27-L178 HydrophobicContact CG1-CD1 3.84Å; V27-L178 HydrophobicContact CG1-CD2 4.32Å
28D96.8Very high96.8Very high36 Ų3640.7 Ų40.719%0.19320%0.2CC..THydrogen-bonded Turntrans48.8-127.7-164.1-55.4-40.6000110.2H2 S3 T30H2-D28 WeakPolarHBondContact CA-OD1 3.18Å; H2-D28 IonicContact CE1-OD2 3.45Å; H2-D28 IonicContact CG-OD2 3.54Å; H2-D28 IonicContact ND1-OD1 3.62Å; H2-D28 IonicContact ND1-OD2 2.62Å; H2-D28 PolarHBondContact ND1-OD2 3.2Å; S3-D28 PolarHBondContact N-OD1 3.04Å; S3-D28 PolarHBondContact O-N 2.65Å; D28-T30 VanDerWaalsContact C-N 3.31Å
29D96Very high97.5Very high160 Ų16036.8 Ų36.886%0.85619%0.188SC*.THydrogen-bonded Turntrans-919178.5-60.3-52.5000113.3V27V27-D29 PolarHBondContact O-N 2.79Å
30T97.8Very high97.7Very high56 Ų5641.4 Ų41.434%0.34423%0.23SC..EExtended strand (participates in β ladder)trans-101.8113.5-177-57.40000111.5Y26 V27 D28 F32 A48 L178Y26-T30 WeakPolarHBondContact CA-O 3.26Å; V27-T30 PolarHBondContact N-O 2.91Å; V27-T30 WeakPolarHBondContact O-CB 3.47Å; V27-T30 PolarHBondContact O-N 3.08Å; D28-T30 VanDerWaalsContact C-N 3.31Å; T30-F32 PolarHBondContact O-N 3.23Å; T30-A48 HydrophobicContact CG2-CB 4.39Å; T30-L178 HydrophobicContact CG2-CD2 4.26Å
31Q98.3Very high97.7Very high55 Ų5541.1 Ų41.126%0.25724%0.241SC..EExtended strand (participates in β ladder)trans-66.7127.8172-167.8-1781.300110V24 G25 Y26 V33 R47V24-Q31 VanDerWaalsContact CG1-NE2 3.29Å; G25-Q31 WeakPolarHBondContact O-CA 3.23Å; Y26-Q31 HydrophobicContact CD1-CB 4.06Å; Y26-Q31 VanDerWaalsContact CD1-N 3.35Å; Y26-Q31 HydrophobicContact CD2-CG 4.49Å; Y26-Q31 HydrophobicContact CE1-CB 3.57Å; Y26-Q31 HydrophobicContact CE1-CG 4.31Å; Y26-Q31 HydrophobicContact CE2-CB 4.19Å; Y26-Q31 HydrophobicContact CE2-CG 4.01Å; Q31-V33 PolarHBondContact NE2-O 3.21Å; Q31-R47 HydrophobicContact CG-CB 4.2Å; Q31-R47 HydrophobicContact CG-CG 4.44Å; Q31-R47 CarbonylContact O-C 3.55Å
32F98.3Very high97.6Very high0 Ų043 Ų430%025%0.253CS..EExtended strand (participates in β ladder)trans-119.6-19.8-179.377.3-88.1000114.2M4 Y6 G25 V27 T30 R47 A48 W50 V51 Y170M4-F32 HydrophobicContact CG-CE1 4.47Å; M4-F32 HydrophobicContact SD-CZ 4.48Å; Y6-F32 HydrophobicContact CE1-CZ 4.21Å; Y6-F32 HydrophobicContact CE2-CZ 4.45Å; Y6-F32 AromaticContact CZ-CZ 3.79Å; Y6-F32 WeakPolarHBondContact OH-CZ 3.49Å; G25-F32 WeakPolarHBondContact O-CD1 3.44Å; G25-F32 PolarHBondContact O-N 3.2Å; V27-F32 HydrophobicContact CG2-CD1 3.91Å; V27-F32 HydrophobicContact CG2-CE1 3.97Å; T30-F32 PolarHBondContact O-N 3.23Å; F32-R47 PolarHBondContact O-N 3.28Å; F32-A48 HydrophobicContact CB-CB 4.09Å; F32-W50 HydrophobicContact CB-CH2 3.11Å; F32-W50 HydrophobicContact CB-CZ2 3.36Å; F32-W50 HydrophobicContact CB-CZ3 3.91Å; F32-W50 AromaticContact CD1-CH2 3.95Å; F32-W50 HydrophobicContact CD1-CH2 3.95Å; F32-W50 AromaticContact CD2-CH2 3.88Å; F32-W50 HydrophobicContact CD2-CH2 3.88Å; F32-W50 HydrophobicContact CD2-CZ3 4.1Å; F32-W50 AromaticContact CG-CH2 3.4Å; F32-W50 HydrophobicContact CG-CH2 3.4Å; F32-W50 HydrophobicContact CG-CZ2 4.12Å; F32-W50 HydrophobicContact CG-CZ3 4.09Å; F32-V51 HydrophobicContact CB-CG1 4.43Å; F32-V51 HydrophobicContact CD2-CB 4.37Å; F32-V51 HydrophobicContact CD2-CG1 4.46Å; F32-V51 HydrophobicContact CD2-CG2 4.08Å; F32-V51 VanDerWaalsContact O-CG1 3.25Å; F32-V51 WeakPolarHBondContact O-CG1 3.25Å; F32-Y170 HydrophobicContact CE2-CD2 4.39Å; F32-Y170 AromaticContact CE2-CE2 3.72Å; F32-Y170 HydrophobicContact CE2-CE2 3.72Å; F32-Y170 AromaticContact CE2-CZ 3.83Å; F32-Y170 HydrophobicContact CZ-CD2 4.29Å; F32-Y170 AromaticContact CZ-CE2 3.69Å; F32-Y170 HydrophobicContact CZ-CE2 3.69Å
33V98.4Very high97.5Very high0 Ų048.4 Ų48.40%027%0.271CS..EExtended strand (participates in β ladder)trans-142.7150179.165.40000112Y6 V24 G25 Q31 E45 W59 Y66Y6-V33 HydrophobicContact CE1-CG1 3.91Å; V24-V33 WeakPolarHBondContact CA-O 3.46Å; G25-V33 PolarHBondContact N-O 2.88Å; G25-V33 PolarHBondContact O-N 2.81Å; Q31-V33 PolarHBondContact NE2-O 3.21Å; V33-E45 WeakPolarHBondContact CA-O 3.4Å; V33-W59 HydrophobicContact CG2-CZ3 3.98Å; V33-Y66 WeakPolarHBondContact CG1-OH 3.04Å; V33-Y66 HydrophobicContact CG2-CE2 4.3Å; V33-Y66 WeakPolarHBondContact CG2-OH 3.39Å
34R98.5Very high97.5Very high66 Ų6648.6 Ų48.625%0.24927%0.274CS..EExtended strand (participates in β ladder)trans-139.3144.4170.7-178.8177174.488.75.9110.6S23 V24 D36 E45 R47S23-R34 CarbonylContact O-C 3.54Å; S23-R34 WeakPolarHBondContact O-CA 3.34Å; V24-R34 HydrophobicContact CG1-CB 4.39Å; V24-R34 HydrophobicContact CG1-CG 4.13Å; R34-D36 IonicContact CZ-OD2 2.83Å; R34-D36 IonicContact NH2-OD2 3.8Å; R34-D36 PolarHBondContact NH2-OD2 3.11Å; R34-E45 PolarHBondContact N-O 2.63Å; R34-E45 PolarHBondContact O-N 3.36Å; R34-R47 HydrophobicContact CB-CG 3.96Å
35F98.8Very high97.4Very high4 Ų450.3 Ų50.32%0.01828%0.28CS..EExtended strand (participates in β ladder)trans-130.9141.9163.7177.1-86.6000109.1F21 I22 S23 P42 R43 Y66 K67F21-F35 AromaticContact CD1-CD1 3.7Å; F21-F35 HydrophobicContact CD1-CD1 3.7Å; F21-F35 AromaticContact CD1-CE1 3.76Å; F21-F35 HydrophobicContact CD1-CE1 3.76Å; F21-F35 AromaticContact CE1-CD1 3.94Å; F21-F35 HydrophobicContact CE1-CD1 3.94Å; F21-F35 HydrophobicContact CE1-CE1 4.3Å; I22-F35 WeakPolarHBondContact CA-O 3.34Å; S23-F35 PolarHBondContact N-O 2.6Å; S23-F35 PolarHBondContact O-N 2.83Å; F35-P42 HydrophobicContact CE2-CB 3.92Å; F35-P42 HydrophobicContact CZ-CB 3.77Å; F35-R43 WeakPolarHBondContact CD2-O 3.23Å; F35-Y66 HydrophobicContact CB-CD1 4.22Å; F35-Y66 HydrophobicContact CB-CD2 3.51Å; F35-Y66 HydrophobicContact CB-CE2 3.94Å; F35-Y66 HydrophobicContact CB-CG 3.68Å; F35-Y66 HydrophobicContact CD1-CG 4.29Å; F35-Y66 AromaticContact CD2-CD2 3.63Å; F35-Y66 HydrophobicContact CD2-CD2 3.63Å; F35-Y66 AromaticContact CD2-CG 3.92Å; F35-Y66 HydrophobicContact CD2-CG 3.92Å; F35-Y66 AromaticContact CG-CD2 3.72Å; F35-Y66 HydrophobicContact CG-CD2 3.72Å; F35-Y66 AromaticContact CG-CG 3.7Å; F35-Y66 HydrophobicContact CG-CG 3.7Å; F35-K67 HydrophobicContact CE2-CG 4.47Å; F35-K67 HydrophobicContact CZ-CG 4.22Å
36D98.4Very high97.4Very high22 Ų2252.7 Ų52.712%0.11830%0.295CS..EExtended strand (participates in β ladder)trans-139.1120.4174.5-160.8-29.3000109.3R20 R34 D38 A39R20-D36 IonicContact CZ-OD1 3.67Å; R20-D36 IonicContact CZ-OD2 3.65Å; R20-D36 IonicContact NE-OD1 2.63Å; R20-D36 PolarHBondContact NE-OD1 3.05Å; R20-D36 VanDerWaalsContact NE-OD1 3.12Å; R20-D36 IonicContact NE-OD2 3.67Å; R20-D36 IonicContact NH2-OD1 3.66Å; R20-D36 IonicContact NH2-OD2 3.49Å; R20-D36 PolarHBondContact NH2-OD2 3.47Å; R34-D36 IonicContact CZ-OD2 2.83Å; R34-D36 IonicContact NH2-OD2 3.8Å; R34-D36 PolarHBondContact NH2-OD2 3.11Å; D36-D38 PolarHBondContact O-N 3.29Å; D36-D38 PolarHBondContact OD1-N 2.91Å; D36-A39 WeakPolarHBondContact O-CB 3.29Å; D36-A39 PolarHBondContact O-N 3.16Å
37S97.3Very high97.3Very high33 Ų3355.1 Ų55.123%0.23130%0.304CS..THydrogen-bonded Turntrans-66.8-21.6-179.568.30000113.2F21 A39 P42F21-S37 PolarHBondContact N-OG 3.07Å; F21-S37 PolarHBondContact O-N 3.39Å; F21-S37 PolarHBondContact O-OG 2.93Å; S37-A39 VanDerWaalsContact C-N 3.32Å; S37-P42 WeakPolarHBondContact O-CG 3.34Å
38D95.9Very high97.2Very high74 Ų7455.3 Ų55.340%0.39631%0.306SS..THydrogen-bonded Turntrans-86-3.9179.5-77.11.4000112.9R13 R20 D36R13-D38 IonicContact CZ-OD1 3.65Å; R13-D38 IonicContact CZ-OD2 3.76Å; R13-D38 IonicContact NH1-OD1 3.9Å; R13-D38 IonicContact NH1-OD2 3.75Å; R13-D38 PolarHBondContact NH1-OD2 3.15Å; R13-D38 IonicContact NH2-OD1 3.12Å; R13-D38 PolarHBondContact NH2-OD1 2.73Å; R13-D38 IonicContact NH2-OD2 3.45Å; R13-D38 PolarHBondContact NH2-OD2 2.77Å; R20-D38 VanDerWaalsContact CD-OD2 3.23Å; R20-D38 WeakPolarHBondContact CD-OD2 3.18Å; R20-D38 IonicContact NE-OD2 3.6Å; R20-D38 PolarHBondContact NE-OD2 3.26Å; D36-D38 PolarHBondContact O-N 3.29Å; D36-D38 PolarHBondContact OD1-N 2.91Å
39A95.7Very high97.2Very high37 Ų3758.5 Ų58.531%0.30633%0.328SS..SBendtrans-63149.3175.300000110.8D36 S37 S41 P42D36-A39 WeakPolarHBondContact O-CB 3.29Å; D36-A39 PolarHBondContact O-N 3.16Å; S37-A39 VanDerWaalsContact C-N 3.32Å; A39-S41 PolarHBondContact O-N 3.49Å; A39-S41 VanDerWaalsContact O-N 3.14Å; A39-P42 WeakPolarHBondContact O-CD 3.33Å; A39-P42 VanDerWaalsContact O-CG 3.26Å; A39-P42 WeakPolarHBondContact O-CG 3.49Å
40A95.1Very high97.1Very high117 Ų11751.5 Ų51.597%0.96729%0.29SS*.SBendtrans-58.7-29.4177.800000113
41S95.4Very high97.1Very high77 Ų7748.9 Ų48.954%0.53827%0.274SS..SBendtrans-134.188.1171.8-169.30000109.1A39 R43A39-S41 PolarHBondContact O-N 3.49Å; A39-S41 VanDerWaalsContact O-N 3.14Å; S41-R43 PolarHBondContact O-N 2.77Å; S41-R43 VanDerWaalsContact O-N 3.1Å
42P96.3Very high96.9Very high39 Ų3952.1 Ų52.125%0.25329%0.289SS..  trans-65111-175.2-23.835.2000112.3F35 S37 A39 K67F35-P42 HydrophobicContact CE2-CB 3.92Å; F35-P42 HydrophobicContact CZ-CB 3.77Å; S37-P42 WeakPolarHBondContact O-CG 3.34Å; A39-P42 WeakPolarHBondContact O-CD 3.33Å; A39-P42 VanDerWaalsContact O-CG 3.26Å; A39-P42 WeakPolarHBondContact O-CG 3.49Å; P42-K67 WeakPolarHBondContact O-CE 3.33Å
43R97.8Very high96.7Very high148 Ų14857.9 Ų57.956%0.55832%0.316SS*.  trans-147.5161.1177.163.2-176.2169.8-179.1-2111.2F35 S41 E45 T63F35-R43 WeakPolarHBondContact CD2-O 3.23Å; S41-R43 PolarHBondContact O-N 2.77Å; S41-R43 VanDerWaalsContact O-N 3.1Å; R43-E45 HydrophobicContact CG-CG 4.39Å; R43-T63 HydrophobicContact CB-CG2 4.2Å
44G97.6Very high96.6Very high5 Ų558.4 Ų58.45%0.05232%0.318CS..  trans-66.3131.6168.900000109.9T63G44-T63 PolarHBondContact N-OG1 3.45Å
45E97.6Very high96.4Very high59 Ų5956.8 Ų56.828%0.27632%0.322SS..EExtended strand (participates in β ladder)trans-120.3132.2-177.7-64.3178158.100110.3V33 R34 R43 R47V33-E45 WeakPolarHBondContact CA-O 3.4Å; R34-E45 PolarHBondContact N-O 2.63Å; R34-E45 PolarHBondContact O-N 3.36Å; R43-E45 HydrophobicContact CG-CG 4.39Å; E45-R47 IonicContact OE2-CZ 2.73Å; E45-R47 IonicContact OE2-NH2 3.71Å; E45-R47 PolarHBondContact OE2-NH2 2.71Å
46P97.8Very high96.3Very high49 Ų4960.6 Ų60.632%0.31835%0.347SS..EExtended strand (participates in β ladder)trans-65.4143.1173.128.4-33.9000110.6V51 E52 W59P46-V51 HydrophobicContact CB-CG1 3.69Å; P46-E52 HydrophobicContact CB-CG 3.76Å; P46-E52 HydrophobicContact CG-CG 4Å; P46-W59 HydrophobicContact CB-CH2 3.66Å; P46-W59 HydrophobicContact CB-CZ2 3.75Å; P46-W59 HydrophobicContact CG-CH2 4.28Å; P46-W59 HydrophobicContact CG-CZ2 4.19Å
47R97.9Very high96.3Very high120 Ų12066.3 Ų66.345%0.45337%0.373SS..  trans-126.80.9176-59.7-63.8174.4173.20113.1Q31 F32 R34 E45Q31-R47 HydrophobicContact CG-CB 4.2Å; Q31-R47 HydrophobicContact CG-CG 4.44Å; Q31-R47 CarbonylContact O-C 3.55Å; F32-R47 PolarHBondContact O-N 3.28Å; R34-R47 HydrophobicContact CB-CG 3.96Å; E45-R47 IonicContact OE2-CZ 2.73Å; E45-R47 IonicContact OE2-NH2 3.71Å; E45-R47 PolarHBondContact OE2-NH2 2.71Å
48A96.4Very high96.2Very high5 Ų565.1 Ų65.14%0.04136%0.364CS..SBendtrans-139.6144.3173.400000110.9T30 F32 W50 V51T30-A48 HydrophobicContact CG2-CB 4.39Å; F32-A48 HydrophobicContact CB-CB 4.09Å; A48-W50 VanDerWaalsContact C-N 3.29Å; A48-W50 HydrophobicContact CB-CD2 4.18Å; A48-W50 HydrophobicContact CB-CG 4.4Å; A48-W50 HydrophobicContact CB-CZ2 4Å; A48-W50 PolarHBondContact O-N 3.13Å; A48-V51 WeakPolarHBondContact O-CG1 3.37Å; A48-V51 PolarHBondContact O-N 2.93Å
49P95.8Very high96.3Very high102 Ų10263.4 Ų63.466%0.66235%0.352SS*.Hα-helixtrans-58.4-37.1-176-26.634.8000114V51 E52P49-V51 PolarHBondContact O-N 3.19Å; P49-E52 WeakPolarHBondContact O-CB 3.45Å; P49-E52 PolarHBondContact O-N 2.89Å; P49-E52 VanDerWaalsContact O-N 3.08Å
50W95.1Very high96.4Very high14 Ų1466.8 Ų66.85%0.05337%0.365CS..Hα-helixtrans-70.9-11.9-176.153.5-106.7000114.4V27 F32 A48 Q53 Y170 N173 L178V27-W50 HydrophobicContact CB-CH2 4.19Å; V27-W50 HydrophobicContact CB-CZ2 4.25Å; V27-W50 HydrophobicContact CG2-CH2 3.75Å; V27-W50 HydrophobicContact CG2-CZ2 4.32Å; F32-W50 HydrophobicContact CB-CH2 3.11Å; F32-W50 HydrophobicContact CB-CZ2 3.36Å; F32-W50 HydrophobicContact CB-CZ3 3.91Å; F32-W50 AromaticContact CD1-CH2 3.95Å; F32-W50 HydrophobicContact CD1-CH2 3.95Å; F32-W50 AromaticContact CD2-CH2 3.88Å; F32-W50 HydrophobicContact CD2-CH2 3.88Å; F32-W50 HydrophobicContact CD2-CZ3 4.1Å; F32-W50 AromaticContact CG-CH2 3.4Å; F32-W50 HydrophobicContact CG-CH2 3.4Å; F32-W50 HydrophobicContact CG-CZ2 4.12Å; F32-W50 HydrophobicContact CG-CZ3 4.09Å; A48-W50 VanDerWaalsContact C-N 3.29Å; A48-W50 HydrophobicContact CB-CD2 4.18Å; A48-W50 HydrophobicContact CB-CG 4.4Å; A48-W50 HydrophobicContact CB-CZ2 4Å; A48-W50 PolarHBondContact O-N 3.13Å; W50-Q53 WeakPolarHBondContact O-CG 3.34Å; W50-Y170 HydrophobicContact CE3-CD1 4.24Å; W50-Y170 HydrophobicContact CE3-CG 4.43Å; W50-Y170 HydrophobicContact CH2-CD2 4.5Å; W50-Y170 HydrophobicContact CH2-CG 4.09Å; W50-Y170 AromaticContact CZ3-CD1 3.57Å; W50-Y170 HydrophobicContact CZ3-CD1 3.57Å; W50-Y170 HydrophobicContact CZ3-CD2 4.28Å; W50-Y170 HydrophobicContact CZ3-CE1 4.33Å; W50-Y170 AromaticContact CZ3-CG 3.54Å; W50-Y170 HydrophobicContact CZ3-CG 3.54Å; W50-N173 HydrophobicContact CB-CB 4.27Å; W50-L178 HydrophobicContact CD2-CD1 4.48Å; W50-L178 HydrophobicContact CZ2-CD1 3.96Å; W50-L178 HydrophobicContact CZ2-CD2 4.4Å
51V96.5Very high96.6Very high0 Ų066.2 Ų66.20%034%0.337CS..Hα-helixtrans-95.1-15.6171.872.70000112F32 P46 A48 P49 Q53 E54 Y58 W59 Y170F32-V51 HydrophobicContact CB-CG1 4.43Å; F32-V51 HydrophobicContact CD2-CB 4.37Å; F32-V51 HydrophobicContact CD2-CG1 4.46Å; F32-V51 HydrophobicContact CD2-CG2 4.08Å; F32-V51 VanDerWaalsContact O-CG1 3.25Å; F32-V51 WeakPolarHBondContact O-CG1 3.25Å; P46-V51 HydrophobicContact CB-CG1 3.69Å; A48-V51 WeakPolarHBondContact O-CG1 3.37Å; A48-V51 PolarHBondContact O-N 2.93Å; P49-V51 PolarHBondContact O-N 3.19Å; V51-Q53 PolarHBondContact O-N 2.92Å; V51-E54 HydrophobicContact CG2-CG 3.91Å; V51-E54 WeakPolarHBondContact O-CB 3.43Å; V51-E54 WeakPolarHBondContact O-CG 3.21Å; V51-E54 PolarHBondContact O-N 2.98Å; V51-Y58 HydrophobicContact CG2-CE1 4.22Å; V51-W59 HydrophobicContact CG1-CH2 4.08Å; V51-W59 HydrophobicContact CG1-CZ2 4.26Å; V51-W59 HydrophobicContact CG2-CH2 3.91Å; V51-W59 HydrophobicContact CG2-CZ2 3.94Å; V51-W59 WeakPolarHBondContact O-CZ2 3.35Å; V51-Y170 HydrophobicContact CG2-CE1 4.36Å
52E94.5Very high96.7Very high124 Ų12463 Ų6358%0.57931%0.314SS*.Hα-helixtrans-64.7-23.4179-64.5179.5-171.700112.6P46 P49 E54P46-E52 HydrophobicContact CB-CG 3.76Å; P46-E52 HydrophobicContact CG-CG 4Å; P49-E52 WeakPolarHBondContact O-CB 3.45Å; P49-E52 PolarHBondContact O-N 2.89Å; P49-E52 VanDerWaalsContact O-N 3.08Å; E52-E54 PolarHBondContact O-N 2.85Å
53Q93.8Very high96.7Very high120 Ų12061.7 Ų61.756%0.56131%0.305SS*.THydrogen-bonded Turntrans-71.7-11.4174.368.7-176.841.700114W50 V51 N173W50-Q53 WeakPolarHBondContact O-CG 3.34Å; V51-Q53 PolarHBondContact O-N 2.92Å; Q53-N173 PolarHBondContact NE2-ND2 3.3Å; Q53-N173 VanDerWaalsContact NE2-ND2 3.15Å; Q53-N173 PolarHBondContact NE2-OD1 3.15Å
54E96Very high96.8Very high12 Ų1259.6 Ų59.66%0.05630%0.302CS..SBendtrans-67.9135.3174.4-64.5-62.316200110.7V51 E52 Y58 W59 R169 N173V51-E54 HydrophobicContact CG2-CG 3.91Å; V51-E54 WeakPolarHBondContact O-CB 3.43Å; V51-E54 WeakPolarHBondContact O-CG 3.21Å; V51-E54 PolarHBondContact O-N 2.98Å; E52-E54 PolarHBondContact O-N 2.85Å; E54-Y58 HydrophobicContact CB-CD1 3.53Å; E54-Y58 HydrophobicContact CB-CD2 4.41Å; E54-Y58 HydrophobicContact CB-CE1 4.09Å; E54-Y58 HydrophobicContact CB-CG 3.73Å; E54-Y58 HydrophobicContact CG-CD1 4.08Å; E54-Y58 HydrophobicContact CG-CD2 4.36Å; E54-Y58 HydrophobicContact CG-CE1 4.22Å; E54-Y58 HydrophobicContact CG-CE2 4.47Å; E54-Y58 HydrophobicContact CG-CG 4.16Å; E54-W59 PolarHBondContact O-NE1 3.5Å; E54-W59 VanDerWaalsContact O-NE1 3.08Å; E54-R169 IonicContact OE1-CZ 2.73Å; E54-R169 IonicContact OE1-NE 2.91Å; E54-R169 PolarHBondContact OE1-NE 3.09Å; E54-R169 IonicContact OE1-NH2 3.64Å; E54-R169 PolarHBondContact OE1-NH2 2.93Å; E54-R169 IonicContact OE2-CZ 3.16Å; E54-R169 IonicContact OE2-NE 3.29Å; E54-R169 PolarHBondContact OE2-NE 2.9Å; E54-R169 IonicContact OE2-NH2 3Å; E54-R169 PolarHBondContact OE2-NH2 2.78Å; E54-N173 PolarHBondContact OE1-ND2 3.04Å; E54-N173 VanDerWaalsContact OE1-ND2 3.16Å
55G95.6Very high96.7Very high31 Ų3162.8 Ų62.832%0.3231%0.314SS..  trans-70.2169.1-174.800000114.4E57 Y58 W59G55-E57 PolarHBondContact O-N 3.19Å; G55-Y58 WeakPolarHBondContact O-CB 3.46Å; G55-Y58 PolarHBondContact O-N 3.06Å; G55-Y58 VanDerWaalsContact O-N 3.08Å; G55-W59 VanDerWaalsContact O-CD1 3.29Å; G55-W59 PolarHBondContact O-N 3.46Å
56P96.3Very high96.8Very high85 Ų8560.4 Ų60.455%0.55230%0.303SS*.Hα-helixtrans-58.1-34.3-179.123.5-32.6000113Y58 W59 D60P56-Y58 VanDerWaalsContact C-N 3.26Å; P56-Y58 PolarHBondContact O-N 3.44Å; P56-W59 PolarHBondContact O-N 3.03Å; P56-W59 VanDerWaalsContact O-N 3.14Å; P56-D60 PolarHBondContact O-N 2.98Å
57E97.3Very high96.8Very high141 Ų14162.2 Ų62.266%0.65931%0.306SS*.Hα-helixtrans-63.6-33.1179-60.179.2-173.600112.3G55 R61G55-E57 PolarHBondContact O-N 3.19Å; E57-R61 VanDerWaalsContact O-CB 3.27Å; E57-R61 WeakPolarHBondContact O-CB 3.44Å; E57-R61 PolarHBondContact O-N 3.04Å; E57-R61 VanDerWaalsContact O-N 3.1Å
58Y96.9Very high96.8Very high9 Ų964.2 Ų64.24%0.03531%0.313CS..Hα-helixtrans-64.4-51.7173.1167.9-89.6000110.1V51 E54 G55 P56 D60 R61 E62 W166 Y170V51-Y58 HydrophobicContact CG2-CE1 4.22Å; E54-Y58 HydrophobicContact CB-CD1 3.53Å; E54-Y58 HydrophobicContact CB-CD2 4.41Å; E54-Y58 HydrophobicContact CB-CE1 4.09Å; E54-Y58 HydrophobicContact CB-CG 3.73Å; E54-Y58 HydrophobicContact CG-CD1 4.08Å; E54-Y58 HydrophobicContact CG-CD2 4.36Å; E54-Y58 HydrophobicContact CG-CE1 4.22Å; E54-Y58 HydrophobicContact CG-CE2 4.47Å; E54-Y58 HydrophobicContact CG-CG 4.16Å; G55-Y58 WeakPolarHBondContact O-CB 3.46Å; G55-Y58 PolarHBondContact O-N 3.06Å; G55-Y58 VanDerWaalsContact O-N 3.08Å; P56-Y58 VanDerWaalsContact C-N 3.26Å; P56-Y58 PolarHBondContact O-N 3.44Å; Y58-D60 VanDerWaalsContact C-N 3.35Å; Y58-D60 PolarHBondContact O-N 2.87Å; Y58-R61 PolarHBondContact O-N 3.43Å; Y58-E62 HydrophobicContact CD1-CG 4.29Å; Y58-E62 HydrophobicContact CD2-CG 4.22Å; Y58-E62 HydrophobicContact CE1-CG 3.9Å; Y58-E62 HydrophobicContact CE2-CG 3.84Å; Y58-E62 HydrophobicContact CG-CG 4.43Å; Y58-E62 WeakPolarHBondContact O-CG 3.34Å; Y58-E62 PolarHBondContact O-N 3.45Å; Y58-W166 AromaticContact CD2-CH2 3.47Å; Y58-W166 HydrophobicContact CD2-CH2 3.47Å; Y58-W166 VanDerWaalsContact CD2-CH2 3.47Å; Y58-W166 HydrophobicContact CD2-CZ2 4.23Å; Y58-W166 AromaticContact CD2-CZ3 3.68Å; Y58-W166 HydrophobicContact CD2-CZ3 3.68Å; Y58-W166 HydrophobicContact CE2-CE3 4.07Å; Y58-W166 AromaticContact CE2-CH2 3.75Å; Y58-W166 HydrophobicContact CE2-CH2 3.75Å; Y58-W166 HydrophobicContact CE2-CZ2 4.44Å; Y58-W166 AromaticContact CE2-CZ3 3.51Å; Y58-W166 HydrophobicContact CE2-CZ3 3.51Å; Y58-Y170 VanDerWaalsContact CE2-OH 3.29Å; Y58-Y170 WeakPolarHBondContact CE2-OH 3.4Å; Y58-Y170 PolarHBondContact OH-OH 3.44Å
59W97.9Very high96.8Very high38 Ų3866.5 Ų66.514%0.14432%0.323CS..Hα-helixtrans-64.6-38.1-177.1-68111.6000112.9V33 P46 V51 E54 G55 P56 T63V33-W59 HydrophobicContact CG2-CZ3 3.98Å; P46-W59 HydrophobicContact CB-CH2 3.66Å; P46-W59 HydrophobicContact CB-CZ2 3.75Å; P46-W59 HydrophobicContact CG-CH2 4.28Å; P46-W59 HydrophobicContact CG-CZ2 4.19Å; V51-W59 HydrophobicContact CG1-CH2 4.08Å; V51-W59 HydrophobicContact CG1-CZ2 4.26Å; V51-W59 HydrophobicContact CG2-CH2 3.91Å; V51-W59 HydrophobicContact CG2-CZ2 3.94Å; V51-W59 WeakPolarHBondContact O-CZ2 3.35Å; E54-W59 PolarHBondContact O-NE1 3.5Å; E54-W59 VanDerWaalsContact O-NE1 3.08Å; G55-W59 VanDerWaalsContact O-CD1 3.29Å; G55-W59 PolarHBondContact O-N 3.46Å; P56-W59 PolarHBondContact O-N 3.03Å; P56-W59 VanDerWaalsContact O-N 3.14Å; W59-T63 WeakPolarHBondContact O-CB 3.26Å; W59-T63 PolarHBondContact O-N 3.34Å; W59-T63 PolarHBondContact O-OG1 3.12Å
60D97.9Very high96.9Very high108 Ų10862 Ų6258%0.57829%0.294SS*.Hα-helixtrans-63.5-46.4174-76.7-19.4000110.9P56 Y58 T63 Q64P56-D60 PolarHBondContact O-N 2.98Å; Y58-D60 VanDerWaalsContact C-N 3.35Å; Y58-D60 PolarHBondContact O-N 2.87Å; D60-T63 PolarHBondContact O-N 3.15Å; D60-Q64 VanDerWaalsContact O-CG 3.31Å; D60-Q64 WeakPolarHBondContact O-CG 3.36Å; D60-Q64 PolarHBondContact O-N 2.85Å
61R97.3Very high97Very high105 Ų10566 Ų6640%0.39631%0.314SS..Hα-helixtrans-63.2-46.7178.5-174.5-175.468-156.5-6.1112E57 Y58 Q64 K65E57-R61 VanDerWaalsContact O-CB 3.27Å; E57-R61 WeakPolarHBondContact O-CB 3.44Å; E57-R61 PolarHBondContact O-N 3.04Å; E57-R61 VanDerWaalsContact O-N 3.1Å; Y58-R61 PolarHBondContact O-N 3.43Å; R61-Q64 PolarHBondContact O-N 2.99Å; R61-K65 WeakPolarHBondContact O-CG 3.26Å; R61-K65 PolarHBondContact O-N 2.81Å
62E97.4Very high97Very high10 Ų1068.2 Ų68.25%0.04733%0.332CS..Hα-helixtrans-65.1-42.2178.8-65.3-45.3115.300111Y58 Q64 K65 Y66Y58-E62 HydrophobicContact CD1-CG 4.29Å; Y58-E62 HydrophobicContact CD2-CG 4.22Å; Y58-E62 HydrophobicContact CE1-CG 3.9Å; Y58-E62 HydrophobicContact CE2-CG 3.84Å; Y58-E62 HydrophobicContact CG-CG 4.43Å; Y58-E62 WeakPolarHBondContact O-CG 3.34Å; Y58-E62 PolarHBondContact O-N 3.45Å; E62-Q64 VanDerWaalsContact C-N 3.31Å; E62-Q64 PolarHBondContact O-N 3.16Å; E62-K65 WeakPolarHBondContact O-CB 3.29Å; E62-K65 PolarHBondContact O-N 2.82Å; E62-K65 VanDerWaalsContact O-N 3.07Å; E62-K65 IonicContact OE1-NZ 3.45Å; E62-K65 PolarHBondContact OE1-NZ 3.21Å; E62-K65 IonicContact OE2-NZ 2.76Å; E62-Y66 HydrophobicContact CB-CE2 4.02Å; E62-Y66 WeakPolarHBondContact O-CD2 3.26Å; E62-Y66 PolarHBondContact O-N 3.45Å
63T98.3Very high97.1Very high11 Ų1162.8 Ų62.87%0.06731%0.307CS..Hα-helixtrans-56.8-43.5173.8-63.40000112.1R43 G44 W59 D60 Y66 K67R43-T63 HydrophobicContact CB-CG2 4.2Å; G44-T63 PolarHBondContact N-OG1 3.45Å; W59-T63 WeakPolarHBondContact O-CB 3.26Å; W59-T63 PolarHBondContact O-N 3.34Å; W59-T63 PolarHBondContact O-OG1 3.12Å; D60-T63 PolarHBondContact O-N 3.15Å; T63-Y66 PolarHBondContact O-N 2.76Å; T63-K67 HydrophobicContact CG2-CD 4.26Å; T63-K67 WeakPolarHBondContact O-CG 3.09Å; T63-K67 PolarHBondContact O-N 2.72Å
64Q98.2Very high97.2Very high104 Ų10460.1 Ų60.149%0.48629%0.292SS..Hα-helixtrans-68.9-31.7177-69.1-61.2-21.800113.1D60 R61 E62 R68D60-Q64 VanDerWaalsContact O-CG 3.31Å; D60-Q64 WeakPolarHBondContact O-CG 3.36Å; D60-Q64 PolarHBondContact O-N 2.85Å; R61-Q64 PolarHBondContact O-N 2.99Å; E62-Q64 VanDerWaalsContact C-N 3.31Å; E62-Q64 PolarHBondContact O-N 3.16Å; Q64-R68 WeakPolarHBondContact O-CG 3.02Å; Q64-R68 PolarHBondContact O-N 3.48Å; Q64-R68 VanDerWaalsContact O-N 3.1Å; Q64-R68 PolarHBondContact O-NE 2.62Å
65K97.1Very high97.2Very high72 Ų7263.1 Ų63.131%0.31331%0.311SS..Hα-helixtrans-64.4-48.8171.5-72173.4-179.2171.20110.9R61 E62 K67 R68 Q69R61-K65 WeakPolarHBondContact O-CG 3.26Å; R61-K65 PolarHBondContact O-N 2.81Å; E62-K65 WeakPolarHBondContact O-CB 3.29Å; E62-K65 PolarHBondContact O-N 2.82Å; E62-K65 VanDerWaalsContact O-N 3.07Å; E62-K65 IonicContact OE1-NZ 3.45Å; E62-K65 PolarHBondContact OE1-NZ 3.21Å; E62-K65 IonicContact OE2-NZ 2.76Å; K65-K67 VanDerWaalsContact C-N 3.33Å; K65-K67 PolarHBondContact O-N 3.08Å; K65-R68 PolarHBondContact O-N 3.02Å; K65-R68 VanDerWaalsContact O-N 3.16Å; K65-Q69 PolarHBondContact O-N 3.02Å
66Y98.3Very high97.2Very high9 Ų963.8 Ų63.84%0.03531%0.31CS..Hα-helixtrans-59.6-42.1177.8-60.8-48.9000112.3S23 V33 F35 E62 T63 R68 Q69 A70S23-Y66 VanDerWaalsContact OG-CE1 3.3Å; S23-Y66 WeakPolarHBondContact OG-CE1 3.49Å; V33-Y66 WeakPolarHBondContact CG1-OH 3.04Å; V33-Y66 HydrophobicContact CG2-CE2 4.3Å; V33-Y66 WeakPolarHBondContact CG2-OH 3.39Å; F35-Y66 HydrophobicContact CB-CD1 4.22Å; F35-Y66 HydrophobicContact CB-CD2 3.51Å; F35-Y66 HydrophobicContact CB-CE2 3.94Å; F35-Y66 HydrophobicContact CB-CG 3.68Å; F35-Y66 HydrophobicContact CD1-CG 4.29Å; F35-Y66 AromaticContact CD2-CD2 3.63Å; F35-Y66 HydrophobicContact CD2-CD2 3.63Å; F35-Y66 AromaticContact CD2-CG 3.92Å; F35-Y66 HydrophobicContact CD2-CG 3.92Å; F35-Y66 AromaticContact CG-CD2 3.72Å; F35-Y66 HydrophobicContact CG-CD2 3.72Å; F35-Y66 AromaticContact CG-CG 3.7Å; F35-Y66 HydrophobicContact CG-CG 3.7Å; E62-Y66 HydrophobicContact CB-CE2 4.02Å; E62-Y66 WeakPolarHBondContact O-CD2 3.26Å; E62-Y66 PolarHBondContact O-N 3.45Å; T63-Y66 PolarHBondContact O-N 2.76Å; Y66-R68 PolarHBondContact O-N 2.76Å; Y66-Q69 PolarHBondContact O-N 3.19Å; Y66-A70 WeakPolarHBondContact O-CB 3.48Å; Y66-A70 PolarHBondContact O-N 3.36Å
67K97.9Very high97.2Very high87 Ų8760.2 Ų60.238%0.37829%0.286SS..Hα-helixtrans-62.5-40.5176-73.6177.9178.7178.70112.7F35 P42 T63 K65 Q71F35-K67 HydrophobicContact CE2-CG 4.47Å; F35-K67 HydrophobicContact CZ-CG 4.22Å; P42-K67 WeakPolarHBondContact O-CE 3.33Å; T63-K67 HydrophobicContact CG2-CD 4.26Å; T63-K67 WeakPolarHBondContact O-CG 3.09Å; T63-K67 PolarHBondContact O-N 2.72Å; K65-K67 VanDerWaalsContact C-N 3.33Å; K65-K67 PolarHBondContact O-N 3.08Å; K67-Q71 WeakPolarHBondContact O-CG 3.42Å; K67-Q71 PolarHBondContact O-N 2.8Å
68R97.8Very high97.1Very high162 Ų16260.2 Ų60.261%0.61128%0.28SS*.Hα-helixtrans-67-43.4175.4-75.4-176.2-69.8178.4-0.1111.8Q64 K65 Y66 Q71 A72Q64-R68 WeakPolarHBondContact O-CG 3.02Å; Q64-R68 PolarHBondContact O-N 3.48Å; Q64-R68 VanDerWaalsContact O-N 3.1Å; Q64-R68 PolarHBondContact O-NE 2.62Å; K65-R68 PolarHBondContact O-N 3.02Å; K65-R68 VanDerWaalsContact O-N 3.16Å; Y66-R68 PolarHBondContact O-N 2.76Å; R68-Q71 PolarHBondContact O-N 3.12Å; R68-A72 PolarHBondContact O-N 3.43Å
69Q97.8Very high97.1Very high52 Ų5263.4 Ų63.424%0.24330%0.298CS..Hα-helixtrans-62.1-44.5176.9-171.858.147.600111.2F21 K65 Y66 Q71 A72 D73F21-Q69 HydrophobicContact CE2-CB 4.31Å; F21-Q69 HydrophobicContact CE2-CG 3.76Å; F21-Q69 HydrophobicContact CZ-CB 3.91Å; F21-Q69 HydrophobicContact CZ-CG 3.66Å; K65-Q69 PolarHBondContact O-N 3.02Å; Y66-Q69 PolarHBondContact O-N 3.19Å; Q69-Q71 VanDerWaalsContact C-N 3.28Å; Q69-Q71 PolarHBondContact O-N 2.8Å; Q69-A72 WeakPolarHBondContact O-CB 3.06Å; Q69-A72 PolarHBondContact O-N 2.81Å; Q69-A72 VanDerWaalsContact O-N 3.08Å; Q69-D73 VanDerWaalsContact NE2-CG 3.28Å; Q69-D73 PolarHBondContact NE2-OD1 2.89Å; Q69-D73 PolarHBondContact NE2-OD2 3.32Å; Q69-D73 VanDerWaalsContact NE2-OD2 3.15Å; Q69-D73 PolarHBondContact O-N 3.18Å
70A97.6Very high97.1Very high8 Ų861.9 Ų61.97%0.06629%0.293CS..Hα-helixtrans-55.5-41.3175.100000112.6H19 F21 Y66 R74H19-A70 PolarHBondContact NE2-O 3.12Å; F21-A70 HydrophobicContact CB-CB 3.65Å; F21-A70 HydrophobicContact CD1-CB 3.73Å; F21-A70 HydrophobicContact CD2-CB 4.14Å; F21-A70 HydrophobicContact CE1-CB 4.42Å; F21-A70 HydrophobicContact CG-CB 3.56Å; Y66-A70 WeakPolarHBondContact O-CB 3.48Å; Y66-A70 PolarHBondContact O-N 3.36Å; A70-R74 PolarHBondContact O-N 3.08Å; A70-R74 VanDerWaalsContact O-N 3.1Å
71Q96.7Very high97Very high98 Ų9860 Ų6046%0.45828%0.278SS..Hα-helixtrans-71.4-38.4176.3-65.7-57.7-33.400112.4K67 R68 Q69 R74 V75K67-Q71 WeakPolarHBondContact O-CG 3.42Å; K67-Q71 PolarHBondContact O-N 2.8Å; R68-Q71 PolarHBondContact O-N 3.12Å; Q69-Q71 VanDerWaalsContact C-N 3.28Å; Q69-Q71 PolarHBondContact O-N 2.8Å; Q71-R74 WeakPolarHBondContact O-CB 3.34Å; Q71-R74 PolarHBondContact O-N 2.04Å; Q71-V75 PolarHBondContact O-N 2.91Å
72A96.3Very high96.9Very high46 Ų4657.1 Ų57.138%0.3828%0.28SS..Hα-helixtrans-60.9-46.3174.500000111R68 Q69 R74 V75 S76R68-A72 PolarHBondContact O-N 3.43Å; Q69-A72 WeakPolarHBondContact O-CB 3.06Å; Q69-A72 PolarHBondContact O-N 2.81Å; Q69-A72 VanDerWaalsContact O-N 3.08Å; A72-R74 VanDerWaalsContact C-N 3.31Å; A72-R74 PolarHBondContact O-N 3.06Å; A72-V75 WeakPolarHBondContact O-CB 3.4Å; A72-V75 PolarHBondContact O-N 3.01Å; A72-V75 VanDerWaalsContact O-N 3.08Å; A72-S76 PolarHBondContact O-N 2.79Å; A72-S76 PolarHBondContact O-OG 2.81Å
73D96.7Very high96.9Very high10 Ų1059.2 Ų59.25%0.05329%0.288CS..Hα-helixtrans-68.1-30.7-179.7-68.7-24.3000112.8A10 F21 Q69 V75 S76 L77 L94A10-D73 HydrophobicContact CB-CB 3.58Å; F21-D73 WeakPolarHBondContact CE2-OD2 3.29Å; Q69-D73 VanDerWaalsContact NE2-CG 3.28Å; Q69-D73 PolarHBondContact NE2-OD1 2.89Å; Q69-D73 PolarHBondContact NE2-OD2 3.32Å; Q69-D73 VanDerWaalsContact NE2-OD2 3.15Å; Q69-D73 PolarHBondContact O-N 3.18Å; D73-V75 VanDerWaalsContact C-N 3.3Å; D73-V75 PolarHBondContact O-N 2.84Å; D73-S76 PolarHBondContact O-N 3Å; D73-L77 WeakPolarHBondContact O-CB 3.19Å; D73-L77 VanDerWaalsContact O-CG 3.32Å; D73-L77 WeakPolarHBondContact O-CG 3.43Å; D73-L77 PolarHBondContact O-N 2.88Å; D73-L94 HydrophobicContact CB-CD2 4.24Å
74R95.7Very high96.9Very high65 Ų6561.8 Ų61.825%0.24530%0.297CS..Hα-helixtrans-56.2-46.5168.8-170.2-177.5175.3157.77.2111.7E18 H19 A70 Q71 A72 R78E18-R74 IonicContact OE1-CZ 3.19Å; E18-R74 IonicContact OE1-NH1 2.72Å; E18-R74 PolarHBondContact OE1-NH1 3.06Å; E18-R74 IonicContact OE1-NH2 3.53Å; E18-R74 PolarHBondContact OE1-NH2 2.83Å; H19-R74 VanDerWaalsContact CE1-CB 3.41Å; H19-R74 WeakPolarHBondContact CE1-CB 3.44Å; H19-R74 WeakPolarHBondContact ND1-CG 3.25Å; A70-R74 PolarHBondContact O-N 3.08Å; A70-R74 VanDerWaalsContact O-N 3.1Å; Q71-R74 WeakPolarHBondContact O-CB 3.34Å; Q71-R74 PolarHBondContact O-N 2.04Å; A72-R74 VanDerWaalsContact C-N 3.31Å; A72-R74 PolarHBondContact O-N 3.06Å; R74-R78 WeakPolarHBondContact O-CG 3.34Å; R74-R78 PolarHBondContact O-N 2.57Å
75V95.8Very high96.9Very high75 Ų7563.9 Ų63.946%0.45531%0.312SS..Hα-helixtrans-70.3-41.8179.8175.90000109.9Q71 A72 D73 L77 R78 N79Q71-V75 PolarHBondContact O-N 2.91Å; A72-V75 WeakPolarHBondContact O-CB 3.4Å; A72-V75 PolarHBondContact O-N 3.01Å; A72-V75 VanDerWaalsContact O-N 3.08Å; D73-V75 VanDerWaalsContact C-N 3.3Å; D73-V75 PolarHBondContact O-N 2.84Å; V75-L77 PolarHBondContact O-N 2.81Å; V75-R78 PolarHBondContact O-N 2.69Å; V75-N79 PolarHBondContact O-N 2.85Å; V75-N79 PolarHBondContact O-ND2 3.03Å
76S96.7Very high96.8Very high44 Ų4463.2 Ų63.231%0.30831%0.31SS..Hα-helixtrans-59.1-46.6175.8-62.40000112.2A72 D73 R78 N79 L80A72-S76 PolarHBondContact O-N 2.79Å; A72-S76 PolarHBondContact O-OG 2.81Å; D73-S76 PolarHBondContact O-N 3Å; S76-R78 VanDerWaalsContact C-N 3.29Å; S76-R78 PolarHBondContact O-N 3.44Å; S76-N79 PolarHBondContact O-N 2.97Å; S76-N79 VanDerWaalsContact O-N 3.12Å; S76-L80 WeakPolarHBondContact O-CB 3.43Å; S76-L80 VanDerWaalsContact O-CG 3.25Å; S76-L80 WeakPolarHBondContact O-CG 3.48Å; S76-L80 PolarHBondContact O-N 2.64Å
77L96.8Very high96.6Very high11 Ų1166.5 Ų66.56%0.05833%0.334CS..Hα-helixtrans-57.1-40.2176.3-78.4168.6000112.4A10 D73 V75 R81 H92 L94 Y117A10-L77 HydrophobicContact CB-CD1 3.87Å; D73-L77 WeakPolarHBondContact O-CB 3.19Å; D73-L77 VanDerWaalsContact O-CG 3.32Å; D73-L77 WeakPolarHBondContact O-CG 3.43Å; D73-L77 PolarHBondContact O-N 2.88Å; V75-L77 PolarHBondContact O-N 2.81Å; L77-R81 WeakPolarHBondContact O-CB 3.41Å; L77-R81 PolarHBondContact O-N 2.79Å; L77-R81 VanDerWaalsContact O-N 3.1Å; L77-H92 HydrophobicContact CD2-CB 4.33Å; L77-L94 HydrophobicContact CD2-CB 3.64Å; L77-L94 HydrophobicContact CG-CB 4.07Å; L77-Y117 HydrophobicContact CD2-CE2 3.97Å
78R94.6Very high96.2Very high140 Ų14068.3 Ų68.353%0.52834%0.344SS..Hα-helixtrans-66.3-42.4175.8-69.8174.3179.2175.3-2.5112.2R74 V75 S76 G82R74-R78 WeakPolarHBondContact O-CG 3.34Å; R74-R78 PolarHBondContact O-N 2.57Å; V75-R78 PolarHBondContact O-N 2.69Å; S76-R78 VanDerWaalsContact C-N 3.29Å; S76-R78 PolarHBondContact O-N 3.44Å; R78-G82 PolarHBondContact O-N 2.66Å
79N96.3Very high95.8Very high76 Ų7667.5 Ų67.541%0.40635%0.351SS..Hα-helixtrans-66-45.4178.4-69.4-23.6000111.5V75 S76 G82 Y83V75-N79 PolarHBondContact O-N 2.85Å; V75-N79 PolarHBondContact O-ND2 3.03Å; S76-N79 PolarHBondContact O-N 2.97Å; S76-N79 VanDerWaalsContact O-N 3.12Å; N79-G82 WeakPolarHBondContact O-CA 3.4Å; N79-G82 PolarHBondContact O-N 3.01Å; N79-G82 VanDerWaalsContact O-N 3.1Å; N79-Y83 WeakPolarHBondContact O-CD1 3.41Å; N79-Y83 PolarHBondContact O-N 3.19Å
80L97.4Very high95.4Very high7 Ų765.9 Ų65.94%0.03735%0.349CS..Hα-helixtrans-60.1-47179.2-70.4166.9000111S76 G82 Y83 Y84 L94 Y117 Y122S76-L80 WeakPolarHBondContact O-CB 3.43Å; S76-L80 VanDerWaalsContact O-CG 3.25Å; S76-L80 WeakPolarHBondContact O-CG 3.48Å; S76-L80 PolarHBondContact O-N 2.64Å; L80-G82 PolarHBondContact O-N 2.87Å; L80-Y83 HydrophobicContact CD2-CD2 4.42Å; L80-Y83 PolarHBondContact O-N 3.39Å; L80-Y84 HydrophobicContact CD2-CE2 4.2Å; L80-Y84 WeakPolarHBondContact O-CD2 3.5Å; L80-Y84 PolarHBondContact O-N 3.24Å; L80-L94 HydrophobicContact CD1-CD1 3.87Å; L80-L94 HydrophobicContact CD1-CD2 4.15Å; L80-L94 HydrophobicContact CD1-CG 4.44Å; L80-Y117 HydrophobicContact CB-CD1 4.37Å; L80-Y117 HydrophobicContact CB-CD2 4.24Å; L80-Y117 HydrophobicContact CB-CE1 3.98Å; L80-Y117 HydrophobicContact CB-CE2 3.87Å; L80-Y117 HydrophobicContact CB-CG 4.47Å; L80-Y117 HydrophobicContact CD1-CD2 3.59Å; L80-Y117 HydrophobicContact CD1-CE2 3.9Å; L80-Y117 HydrophobicContact CD1-CG 4.03Å; L80-Y117 HydrophobicContact CG-CD2 4.44Å; L80-Y117 HydrophobicContact CG-CE2 4.5Å; L80-Y122 HydrophobicContact CD2-CD1 4.27Å; L80-Y122 HydrophobicContact CD2-CD2 4.2Å; L80-Y122 HydrophobicContact CD2-CE1 3.66Å; L80-Y122 HydrophobicContact CD2-CE2 3.54Å; L80-Y122 WeakPolarHBondContact CD2-OH 3.17Å
81R96Very high95.3Very high69 Ų6969.1 Ų69.126%0.2637%0.371SS..Hα-helixtrans-51.9-42.8173.8-171.5-173.867.4169.311.3112L77 N85 Q86 S87 E88L77-R81 WeakPolarHBondContact O-CB 3.41Å; L77-R81 PolarHBondContact O-N 2.79Å; L77-R81 VanDerWaalsContact O-N 3.1Å; R81-N85 PolarHBondContact O-N 2.95Å; R81-N85 VanDerWaalsContact O-N 3.12Å; R81-Q86 HydrophobicContact CG-CB 3.82Å; R81-Q86 PolarHBondContact O-N 2.88Å; R81-S87 WeakPolarHBondContact CD-O 3.16Å; R81-E88 IonicContact CZ-OE1 3.44Å; R81-E88 IonicContact NH1-OE1 3.4Å; R81-E88 PolarHBondContact NH1-OE1 3.39Å; R81-E88 IonicContact NH2-OE1 3.48Å; R81-E88 PolarHBondContact NH2-OE1 2.77Å
82G96.6Very high95.4Very high44 Ų4465.2 Ų65.245%0.45435%0.353SS..Hα-helixtrans-66.7-44175.600000113.3R78 N79 L80 Y84 N85R78-G82 PolarHBondContact O-N 2.66Å; N79-G82 WeakPolarHBondContact O-CA 3.4Å; N79-G82 PolarHBondContact O-N 3.01Å; N79-G82 VanDerWaalsContact O-N 3.1Å; L80-G82 PolarHBondContact O-N 2.87Å; G82-Y84 VanDerWaalsContact C-N 3.26Å; G82-Y84 PolarHBondContact O-N 3.1Å; G82-N85 PolarHBondContact O-N 2.91Å; G82-N85 VanDerWaalsContact O-N 3.17Å; G82-N85 PolarHBondContact O-OD1 3.42Å
83Y97.7Very high95.5Very high54 Ų5464.9 Ų64.921%0.21235%0.346CS..Hα-helixtrans-61.6-35.1178.4-64.7-12.4000112.8N79 L80 I141 K145N79-Y83 WeakPolarHBondContact O-CD1 3.41Å; N79-Y83 PolarHBondContact O-N 3.19Å; L80-Y83 HydrophobicContact CD2-CD2 4.42Å; L80-Y83 PolarHBondContact O-N 3.39Å; Y83-I141 HydrophobicContact CD1-CD1 4.24Å; Y83-I141 HydrophobicContact CE1-CG2 4.04Å; Y83-I141 HydrophobicContact CE2-CB 4.26Å; Y83-I141 HydrophobicContact CE2-CG2 4.13Å; Y83-I141 HydrophobicContact CG-CD1 4.32Å; Y83-K145 PolarHBondContact OH-NZ 3.29Å
84Y97.7Very high95.6Very high64 Ų6465 Ų6525%0.25135%0.346SS..THydrogen-bonded Turntrans-93.34178.6-67.8-73.5000114L80 G82 Q86 Y117 Y122 D136 A138L80-Y84 HydrophobicContact CD2-CE2 4.2Å; L80-Y84 WeakPolarHBondContact O-CD2 3.5Å; L80-Y84 PolarHBondContact O-N 3.24Å; G82-Y84 VanDerWaalsContact C-N 3.26Å; G82-Y84 PolarHBondContact O-N 3.1Å; Y84-Q86 PolarHBondContact O-N 2.74Å; Y84-Y117 AromaticContact CD2-CD1 3.71Å; Y84-Y117 HydrophobicContact CD2-CD1 3.71Å; Y84-Y117 AromaticContact CD2-CE1 3.48Å; Y84-Y117 HydrophobicContact CD2-CE1 3.48Å; Y84-Y117 VanDerWaalsContact CD2-CE1 3.48Å; Y84-Y117 AromaticContact CE2-CD1 3.45Å; Y84-Y117 HydrophobicContact CE2-CD1 3.45Å; Y84-Y117 VanDerWaalsContact CE2-CD1 3.45Å; Y84-Y117 AromaticContact CE2-CE1 3.76Å; Y84-Y117 HydrophobicContact CE2-CE1 3.76Å; Y84-Y117 HydrophobicContact CE2-CG 4.47Å; Y84-Y117 HydrophobicContact CG-CE1 4.39Å; Y84-Y122 HydrophobicContact CE2-CD2 4.43Å; Y84-Y122 HydrophobicContact CE2-CE2 4.08Å; Y84-Y122 WeakPolarHBondContact OH-CD2 3.38Å; Y84-Y122 VanDerWaalsContact OH-CE2 3.29Å; Y84-Y122 WeakPolarHBondContact OH-CE2 3.3Å; Y84-D136 WeakPolarHBondContact CE1-OD2 3.32Å; Y84-D136 PolarHBondContact OH-OD1 2.87Å; Y84-D136 PolarHBondContact OH-OD2 3Å; Y84-A138 HydrophobicContact CD1-CB 4.15Å; Y84-A138 HydrophobicContact CE1-CB 3.58Å; Y84-A138 HydrophobicContact CE2-CB 4Å
85N96.8Very high95.7Very high148 Ų14865.7 Ų65.779%0.79135%0.353SS*.THydrogen-bonded Turntrans51.340.2-177.4-57.6-57.3000113.4R81 G82R81-N85 PolarHBondContact O-N 2.95Å; R81-N85 VanDerWaalsContact O-N 3.12Å; G82-N85 PolarHBondContact O-N 2.91Å; G82-N85 VanDerWaalsContact O-N 3.17Å; G82-N85 PolarHBondContact O-OD1 3.42Å
86Q96.5Very high95.8Very high59 Ų5964.3 Ų64.328%0.27634%0.339SS..  trans-85.9154-177.7-70.1165.5-3500111.8R81 Y84 H92 Y117 D118R81-Q86 HydrophobicContact CG-CB 3.82Å; R81-Q86 PolarHBondContact O-N 2.88Å; Y84-Q86 PolarHBondContact O-N 2.74Å; Q86-H92 PolarHBondContact NE2-CE1 3.11Å; Q86-H92 PolarHBondContact OE1-CE1 3.25Å; Q86-H92 VanDerWaalsContact OE1-CE1 3.31Å; Q86-Y117 PolarHBondContact OE1-OH 3.14Å; Q86-D118 PolarHBondContact NE2-OD2 2.87Å
87S93.8Very high95.9Very high78 Ų7863 Ų6355%0.54533%0.328SS..  trans-71.2159.6-17964.40000112.8R81 D89R81-S87 WeakPolarHBondContact CD-O 3.16Å; S87-D89 VanDerWaalsContact C-N 3.31Å; S87-D89 PolarHBondContact O-N 3.42Å
88E88.6Confident96Very high125 Ų12562.7 Ų62.758%0.58433%0.328SS*.THydrogen-bonded Turntrans-72.9-25.1-179.6-58-146.9119.700114P14 R81 G90P14-E88 WeakPolarHBondContact CB-O 3.49Å; P14-E88 WeakPolarHBondContact CG-O 3.47Å; R81-E88 IonicContact CZ-OE1 3.44Å; R81-E88 IonicContact NH1-OE1 3.4Å; R81-E88 PolarHBondContact NH1-OE1 3.39Å; R81-E88 IonicContact NH2-OE1 3.48Å; R81-E88 PolarHBondContact NH2-OE1 2.77Å; E88-G90 VanDerWaalsContact C-N 3.28Å; E88-G90 PolarHBondContact O-N 3.2Å
89D89.1Confident96.2Very high144 Ų14456 Ų5677%0.7730%0.302SS*.THydrogen-bonded Turntrans-82.4-8.3-176.6-57.3-38.9000112.8S87S87-D89 VanDerWaalsContact C-N 3.31Å; S87-D89 PolarHBondContact O-N 3.42Å
90G91.3Very high96.3Very high19 Ų1952.4 Ų52.420%0.19628%0.283CS..  trans-72.9130.3177.400000113P14 E88 H92P14-G90 VanDerWaalsContact CG-O 3.28Å; P14-G90 WeakPolarHBondContact CG-O 3.29Å; E88-G90 VanDerWaalsContact C-N 3.28Å; E88-G90 PolarHBondContact O-N 3.2Å; G90-H92 PolarHBondContact O-CD2 2.65Å
91S95.6Very high96.4Very high75 Ų7553.3 Ų53.352%0.52429%0.288SS..  trans-83130.5165-176.40000109.1S12S12-S91 WeakPolarHBondContact O-CB 3.23Å; S12-S91 PolarHBondContact O-OG 3.31Å
92H97.5Very high96.5Very high17 Ų1750.2 Ų50.28%0.07928%0.277CS..  trans-130.6150.3-175.8-63.5-73.5000110.6V11 S12 L77 Q86 G90 Y117 D118V11-H92 WeakPolarHBondContact CA-O 3.34Å; S12-H92 PolarHBondContact N-O 3.22Å; S12-H92 PolarHBondContact OG-N 3.08Å; S12-H92 PolarHBondContact OG-O 3.14Å; L77-H92 HydrophobicContact CD2-CB 4.33Å; Q86-H92 PolarHBondContact NE2-CE1 3.11Å; Q86-H92 PolarHBondContact OE1-CE1 3.25Å; Q86-H92 VanDerWaalsContact OE1-CE1 3.31Å; G90-H92 PolarHBondContact O-CD2 2.65Å; H92-Y117 HydrophobicContact CB-CE2 3.79Å; H92-Y117 WeakPolarHBondContact CB-OH 3.39Å; H92-Y117 AromaticContact CG-CZ 4Å; H92-Y117 AromaticContact ND1-CZ 3.99Å; H92-Y117 PolarHBondContact ND1-OH 3.46Å; H92-D118 WeakPolarHBondContact CA-OD1 3.42Å; H92-D118 WeakPolarHBondContact CB-OD1 3.32Å; H92-D118 IonicContact CE1-OD2 3.51Å; H92-D118 IonicContact CG-OD1 3.35Å; H92-D118 IonicContact CG-OD2 2.87Å; H92-D118 IonicContact ND1-OD1 2.85Å; H92-D118 IonicContact ND1-OD2 3.42Å; H92-D118 PolarHBondContact ND1-OD2 2.83Å
93T98.3Very high96.5Very high39 Ų3948.5 Ų48.524%0.23926%0.259CS..EExtended strand (participates in β ladder)trans-122.5126.5-177.4-57.20000110.4T9 A10 V11 Q95 Y117 D118T9-T93 HydrophobicContact CG2-CG2 3.97Å; A10-T93 CarbonylContact O-C 3.54Å; A10-T93 WeakPolarHBondContact O-CA 3.08Å; V11-T93 HydrophobicContact CG2-CG2 4.18Å; T93-Q95 HydrophobicContact CG2-CG 3.9Å; T93-Y117 WeakPolarHBondContact O-CA 3.46Å; T93-Y117 WeakPolarHBondContact O-CD2 3.28Å; T93-D118 PolarHBondContact N-OD1 3.37Å; T93-D118 PolarHBondContact O-N 2.85Å
94L98.6Very high96.3Very high11 Ų1151.8 Ų51.86%0.05829%0.287CS..EExtended strand (participates in β ladder)trans-109.7126.7169.4174.161.6000107.9T9 A10 D73 L77 L80 A116T9-L94 WeakPolarHBondContact CA-O 3.16Å; A10-L94 HydrophobicContact CB-CB 4.46Å; A10-L94 PolarHBondContact N-O 2.92Å; A10-L94 PolarHBondContact O-N 2.91Å; D73-L94 HydrophobicContact CB-CD2 4.24Å; L77-L94 HydrophobicContact CD2-CB 3.64Å; L77-L94 HydrophobicContact CG-CB 4.07Å; L80-L94 HydrophobicContact CD1-CD1 3.87Å; L80-L94 HydrophobicContact CD1-CD2 4.15Å; L80-L94 HydrophobicContact CD1-CG 4.44Å; L94-A116 WeakPolarHBondContact CD1-O 3.34Å
95Q98.7Very high96.1Very high81 Ų8153.2 Ų53.238%0.37930%0.299SS..EExtended strand (participates in β ladder)trans-119.7143.4176.5-63.1176.8-77.200109.4D8 T9 T93 S115 A116D8-Q95 CarbonylContact O-C 3.53Å; D8-Q95 VanDerWaalsContact O-CA 3.29Å; D8-Q95 WeakPolarHBondContact O-CA 3.41Å; T9-Q95 HydrophobicContact CG2-CG 4.14Å; T93-Q95 HydrophobicContact CG2-CG 3.9Å; Q95-S115 CarbonylContact O-C 3.5Å; Q95-S115 WeakPolarHBondContact O-CA 3.49Å; Q95-A116 HydrophobicContact CB-CB 4.44Å; Q95-A116 PolarHBondContact N-O 3.21Å; Q95-A116 PolarHBondContact O-N 3.48Å
96R98.5Very high95.9Very high46 Ų4647.2 Ų47.217%0.17427%0.272CS..EExtended strand (participates in β ladder)trans-133.3132.8173.2-178.2178.8-179.5-103.70.4109.7F7 D8 S98 D113 Q114F7-R96 WeakPolarHBondContact CA-O 3.41Å; D8-R96 HydrophobicContact CB-CB 4.24Å; D8-R96 PolarHBondContact N-O 3.42Å; D8-R96 PolarHBondContact O-N 3.25Å; R96-S98 PolarHBondContact NH1-OG 2.82Å; R96-D113 IonicContact CZ-OD1 3.32Å; R96-D113 IonicContact CZ-OD2 2.74Å; R96-D113 IonicContact NE-OD1 3.26Å; R96-D113 IonicContact NE-OD2 3.6Å; R96-D113 PolarHBondContact NE-OD2 2.84Å; R96-D113 IonicContact NH2-OD1 3.35Å; R96-D113 PolarHBondContact NH2-OD1 3.32Å; R96-D113 IonicContact NH2-OD2 3.5Å; R96-D113 PolarHBondContact NH2-OD2 3.18Å; R96-Q114 CarbonylContact C-O 3.53Å; R96-Q114 VanDerWaalsContact CA-O 3.3Å; R96-Q114 WeakPolarHBondContact CA-O 3.36Å
97M98.6Very high95.8Very high15 Ų1552.2 Ų52.27%0.07429%0.288CS..EExtended strand (participates in β ladder)trans-113.8127168.6-174.1-77.2-73.300108.3R5 Y6 F7 Y112 D113 Q114R5-M97 VanDerWaalsContact CD-SD 3.52Å; Y6-M97 WeakPolarHBondContact O-CA 3.38Å; F7-M97 HydrophobicContact CD1-CB 4.08Å; F7-M97 HydrophobicContact CD1-CG 3.75Å; F7-M97 HydrophobicContact CE1-CB 4.19Å; F7-M97 HydrophobicContact CE1-CG 3.46Å; F7-M97 VanDerWaalsContact CE1-CG 3.46Å; F7-M97 HydrophobicContact CZ-CG 4.09Å; M97-Y112 HydrophobicContact CE-CD1 3.76Å; M97-Y112 HydrophobicContact CE-CG 3.85Å; M97-Y112 HydrophobicContact SD-CG 4.39Å; M97-D113 WeakPolarHBondContact O-CA 3.49Å; M97-Q114 HydrophobicContact CB-CG 3.94Å; M97-Q114 VanDerWaalsContact CE-CD 3.42Å; M97-Q114 HydrophobicContact CE-CG 3.87Å; M97-Q114 VanDerWaalsContact CE-NE2 3.27Å; M97-Q114 PolarHBondContact N-O 3.15Å; M97-Q114 PolarHBondContact O-N 2.93Å
98S98.3Very high96Very high6 Ų651 Ų514%0.04228%0.275CS..EExtended strand (participates in β ladder)trans-136.9151.3174.264.70000111.1R5 Y6 R96 Y112R5-S98 WeakPolarHBondContact CA-O 3.38Å; Y6-S98 PolarHBondContact N-O 2.84Å; Y6-S98 PolarHBondContact O-N 2.96Å; R96-S98 PolarHBondContact NH1-OG 2.82Å; S98-Y112 VanDerWaalsContact CA-O 3.26Å; S98-Y112 WeakPolarHBondContact CA-O 3.2Å
99G98.4Very high96.5Very high0 Ų050.8 Ų50.80%028%0.277CS..EExtended strand (participates in β ladder)trans162.3-176.7-177.400000114.6M4 G111 Y112 L159M4-G99 CarbonylContact O-C 3.56Å; M4-G99 WeakPolarHBondContact O-CA 3.23Å; G99-G111 CarbonylContact O-C 3.59Å; G99-Y112 PolarHBondContact N-O 2.75Å; G99-Y112 VanDerWaalsContact N-O 3.08Å; G99-Y112 PolarHBondContact O-N 2.83Å; G99-L159 WeakPolarHBondContact O-CD2 3.35Å
100C98.7Very high96.9Very high0 Ų047.7 Ų47.70%026%0.255CS..EExtended strand (participates in β ladder)trans-139.9148-178.653.30000111.3S3 M4 L108 R110 C163S3-C100 WeakPolarHBondContact CA-O 3.2Å; M4-C100 PolarHBondContact N-O 2.82Å; M4-C100 PolarHBondContact O-N 3.29Å; C100-L108 HydrophobicContact CB-CD1 3.55Å; C100-R110 CarbonylContact C-O 3.58Å; C100-R110 VanDerWaalsContact CA-O 3.29Å; C100-R110 WeakPolarHBondContact CA-O 3.3Å; C100-C163 HydrophobicContact CB-CB 3.93Å; C100-C163 WeakPolarHBondContact CB-SG 3.38Å; C100-C163 PolarHBondContact N-SG 2.87Å; C100-C163 WeakPolarHBondContact SG-CB 3.26Å; C100-C163 CovalentContact SG-SG 2.04Å; C100-C163 PolarHBondContact SG-SG 3.24Å
101D98.6Very high97.2Very high26 Ų2647 Ų4714%0.13925%0.247CC..EExtended strand (participates in β ladder)trans-109.5137.6170.9-58.5-14.6000108.9H2 S3 R5 L109 R110 Y112H2-D101 CarbonylContact O-C 3.42Å; H2-D101 WeakPolarHBondContact O-CA 3.47Å; S3-D101 VanDerWaalsContact CB-OD1 3.23Å; S3-D101 WeakPolarHBondContact CB-OD1 3.48Å; R5-D101 IonicContact CZ-OD1 2.75Å; R5-D101 IonicContact NE-OD1 2.87Å; R5-D101 PolarHBondContact NE-OD1 2.84Å; R5-D101 IonicContact NH2-OD1 3.25Å; R5-D101 PolarHBondContact NH2-OD1 2.83Å; R5-D101 IonicContact NH2-OD2 3.59Å; R5-D101 PolarHBondContact NH2-OD2 2.82Å; D101-L109 HydrophobicContact CB-CB 4.46Å; D101-L109 WeakPolarHBondContact O-CB 3.17Å; D101-L109 PolarHBondContact O-N 3.35Å; D101-R110 HydrophobicContact CB-CB 4.45Å; D101-R110 PolarHBondContact N-O 2.82Å; D101-R110 PolarHBondContact O-N 3.4Å; D101-Y112 HydrophobicContact CB-CE2 4.48Å; D101-Y112 VanDerWaalsContact CG-CE2 3.48Å; D101-Y112 WeakPolarHBondContact OD1-CE2 3.07Å; D101-Y112 WeakPolarHBondContact OD2-CE2 3.35Å; D101-Y112 VanDerWaalsContact OD2-CZ 3.3Å; D101-Y112 PolarHBondContact OD2-OH 2.85Å
102L98.2Very high97.4Very high4 Ų445.1 Ų45.12%0.02123%0.229CC..EExtended strand (participates in β ladder)trans-105.9134.8172.9-56.3-177.6000111S1 H2 R107 V164 L167 R168S1-L102 WeakPolarHBondContact CA-O 3.44Å; S1-L102 VanDerWaalsContact CB-O 3.28Å; S1-L102 WeakPolarHBondContact CB-O 3.27Å; H2-L102 PolarHBondContact N-O 3.32Å; H2-L102 VanDerWaalsContact N-O 3.15Å; H2-L102 PolarHBondContact O-N 3Å; L102-R107 CarbonylContact C-O 3.49Å; L102-R107 VanDerWaalsContact CA-O 3.25Å; L102-R107 WeakPolarHBondContact CA-O 3.46Å; L102-V164 HydrophobicContact CD1-CG1 4.49Å; L102-V164 HydrophobicContact CD2-CB 4.2Å; L102-V164 HydrophobicContact CD2-CG1 3.78Å; L102-V164 HydrophobicContact CD2-CG2 3.86Å; L102-L167 HydrophobicContact CD1-CB 4.3Å; L102-L167 HydrophobicContact CD1-CD2 3.72Å; L102-L167 HydrophobicContact CD1-CG 3.78Å; L102-L167 HydrophobicContact CG-CD2 3.59Å; L102-L167 HydrophobicContact CG-CG 4.25Å; L102-R168 HydrophobicContact CD1-CG 3.97Å
103G96.9Very high97.4Very high8 Ų845 Ų458%0.08223%0.229CC..  trans-67.7173.116900000112.3D105 G106 R107G103-D105 PolarHBondContact O-N 2.8Å; G103-G106 WeakPolarHBondContact O-CA 3.45Å; G103-G106 PolarHBondContact O-N 2.84Å; G103-R107 PolarHBondContact N-O 2.73Å
104P93.6Very high97.4Very high123 Ų12347.2 Ų47.280%0.79924%0.237SC*.THydrogen-bonded Turntrans-59.6-24.6175.7-23.534.4000114G106P104-G106 PolarHBondContact O-N 3.21Å
105D93.4Very high97.4Very high94 Ų9447.9 Ų47.950%0.50324%0.242SC..THydrogen-bonded Turntrans-81.23.9174.871.5-19.5000113.1G103 R107G103-D105 PolarHBondContact O-N 2.8Å; D105-R107 PolarHBondContact O-N 3.46Å; D105-R107 WeakPolarHBondContact OD1-CB 3.45Å; D105-R107 PolarHBondContact OD1-N 2.84Å; D105-R107 VanDerWaalsContact OD1-N 3.11Å; D105-R107 VanDerWaalsContact OD2-CD 3.26Å; D105-R107 WeakPolarHBondContact OD2-CD 3.12Å; D105-R107 WeakPolarHBondContact OD2-CG 3.37Å; D105-R107 IonicContact OD2-CZ 3.39Å; D105-R107 IonicContact OD2-NE 2.66Å; D105-R107 IonicContact OD2-NH1 2.77Å; D105-R107 PolarHBondContact OD2-NH1 3.08Å
106G91.9Very high97.4Very high22 Ų2244.9 Ų44.923%0.22723%0.231CC..SBendtrans71.97.4-179.600000114.1G103 P104 R168G103-G106 WeakPolarHBondContact O-CA 3.45Å; G103-G106 PolarHBondContact O-N 2.84Å; P104-G106 PolarHBondContact O-N 3.21Å; G106-R168 PolarHBondContact O-NE 3.5Å; G106-R168 VanDerWaalsContact O-NE 3.13Å; G106-R168 PolarHBondContact O-NH2 2.78Å
107R96Very high97.4Very high164 Ų16443.2 Ų43.262%0.61923%0.225SC*.SBendtrans-87.1157.2176.3-63.4-170180114.4-7.3111.3L102 G103 D105 L109L102-R107 CarbonylContact C-O 3.49Å; L102-R107 VanDerWaalsContact CA-O 3.25Å; L102-R107 WeakPolarHBondContact CA-O 3.46Å; G103-R107 PolarHBondContact N-O 2.73Å; D105-R107 PolarHBondContact O-N 3.46Å; D105-R107 WeakPolarHBondContact OD1-CB 3.45Å; D105-R107 PolarHBondContact OD1-N 2.84Å; D105-R107 VanDerWaalsContact OD1-N 3.11Å; D105-R107 VanDerWaalsContact OD2-CD 3.26Å; D105-R107 WeakPolarHBondContact OD2-CD 3.12Å; D105-R107 WeakPolarHBondContact OD2-CG 3.37Å; D105-R107 IonicContact OD2-CZ 3.39Å; D105-R107 IonicContact OD2-NE 2.66Å; D105-R107 IonicContact OD2-NH1 2.77Å; D105-R107 PolarHBondContact OD2-NH1 3.08Å; R107-L109 PolarHBondContact O-N 3.31Å; R107-L109 VanDerWaalsContact O-N 3.12Å
108L97.9Very high97.4Very high52 Ų5245.6 Ų45.627%0.27224%0.238SC..EExtended strand (participates in β ladder)trans-57118.4173.5-176.670.8000109.3C100 R110 L129 E160 V164C100-L108 HydrophobicContact CB-CD1 3.55Å; L108-R110 WeakPolarHBondContact CD1-O 3.13Å; L108-L129 HydrophobicContact CD2-CD1 4.19Å; L108-E160 HydrophobicContact CD2-CB 4.38Å; L108-E160 HydrophobicContact CD2-CG 3.64Å; L108-V164 HydrophobicContact CB-CG2 4.01Å; L108-V164 HydrophobicContact CD1-CG2 4.05Å
109L97.9Very high97.4Very high120 Ų12048.1 Ų48.163%0.62827%0.265SS*.EExtended strand (participates in β ladder)trans-90.7-43170.917962.4000110.1D101 R107D101-L109 HydrophobicContact CB-CB 4.46Å; D101-L109 WeakPolarHBondContact O-CB 3.17Å; D101-L109 PolarHBondContact O-N 3.35Å; R107-L109 PolarHBondContact O-N 3.31Å; R107-L109 VanDerWaalsContact O-N 3.12Å
110R97.9Very high97.4Very high80 Ų8055.8 Ų55.830%0.30230%0.299SS..EExtended strand (participates in β ladder)trans-156.8141.7-178.4-178.2163.5175.8134.88.1112.4C100 D101 L108 Y112 E127C100-R110 CarbonylContact C-O 3.58Å; C100-R110 VanDerWaalsContact CA-O 3.29Å; C100-R110 WeakPolarHBondContact CA-O 3.3Å; D101-R110 HydrophobicContact CB-CB 4.45Å; D101-R110 PolarHBondContact N-O 2.82Å; D101-R110 PolarHBondContact O-N 3.4Å; L108-R110 WeakPolarHBondContact CD1-O 3.13Å; R110-Y112 HydrophobicContact CB-CE2 4.05Å; R110-Y112 VanDerWaalsContact CD-OH 3.26Å; R110-Y112 WeakPolarHBondContact CD-OH 3.27Å; R110-Y112 HydrophobicContact CG-CD2 4.23Å; R110-Y112 HydrophobicContact CG-CE1 4.1Å; R110-Y112 HydrophobicContact CG-CE2 3.63Å; R110-E127 VanDerWaalsContact CZ-CG 3.5Å; R110-E127 IonicContact CZ-OE1 2.8Å; R110-E127 VanDerWaalsContact NH1-CG 3.32Å; R110-E127 IonicContact NH1-OE1 3.67Å; R110-E127 PolarHBondContact NH1-OE1 3.01Å; R110-E127 IonicContact NH1-OE2 2.78Å; R110-E127 IonicContact NH2-OE1 3.6Å; R110-E127 PolarHBondContact NH2-OE1 3.32Å
111G98.4Very high97.4Very high3 Ų362.2 Ų62.23%0.03133%0.333CS..EExtended strand (participates in β ladder)trans-107.5154.1167.800000111.8G99G99-G111 CarbonylContact O-C 3.59Å
112Y98.5Very high97.4Very high37 Ų3761.4 Ų61.415%0.14533%0.328CS..EExtended strand (participates in β ladder)trans-134.4137.5-179.4-57.4-96.1000110.9R5 M97 S98 G99 D101 R110R5-Y112 PolarHBondContact NH2-OH 2.87Å; R5-Y112 VanDerWaalsContact NH2-OH 3.16Å; M97-Y112 HydrophobicContact CE-CD1 3.76Å; M97-Y112 HydrophobicContact CE-CG 3.85Å; M97-Y112 HydrophobicContact SD-CG 4.39Å; S98-Y112 VanDerWaalsContact CA-O 3.26Å; S98-Y112 WeakPolarHBondContact CA-O 3.2Å; G99-Y112 PolarHBondContact N-O 2.75Å; G99-Y112 VanDerWaalsContact N-O 3.08Å; G99-Y112 PolarHBondContact O-N 2.83Å; D101-Y112 HydrophobicContact CB-CE2 4.48Å; D101-Y112 VanDerWaalsContact CG-CE2 3.48Å; D101-Y112 WeakPolarHBondContact OD1-CE2 3.07Å; D101-Y112 WeakPolarHBondContact OD2-CE2 3.35Å; D101-Y112 VanDerWaalsContact OD2-CZ 3.3Å; D101-Y112 PolarHBondContact OD2-OH 2.85Å; R110-Y112 HydrophobicContact CB-CE2 4.05Å; R110-Y112 VanDerWaalsContact CD-OH 3.26Å; R110-Y112 WeakPolarHBondContact CD-OH 3.27Å; R110-Y112 HydrophobicContact CG-CD2 4.23Å; R110-Y112 HydrophobicContact CG-CE1 4.1Å; R110-Y112 HydrophobicContact CG-CE2 3.63Å
113D98.5Very high97.4Very high13 Ų1361.7 Ų61.77%0.0733%0.329CS..EExtended strand (participates in β ladder)trans-150.1109.8159-173.6-178.7000108.3R96 M97 L125 L155R96-D113 IonicContact CZ-OD1 3.32Å; R96-D113 IonicContact CZ-OD2 2.74Å; R96-D113 IonicContact NE-OD1 3.26Å; R96-D113 IonicContact NE-OD2 3.6Å; R96-D113 PolarHBondContact NE-OD2 2.84Å; R96-D113 IonicContact NH2-OD1 3.35Å; R96-D113 PolarHBondContact NH2-OD1 3.32Å; R96-D113 IonicContact NH2-OD2 3.5Å; R96-D113 PolarHBondContact NH2-OD2 3.18Å; M97-D113 WeakPolarHBondContact O-CA 3.49Å; D113-L125 HydrophobicContact CB-CB 4.03Å; D113-L125 HydrophobicContact CB-CD2 4.29Å; D113-L125 WeakPolarHBondContact O-CB 3.33Å; D113-L125 PolarHBondContact O-N 2.95Å; D113-L155 HydrophobicContact CB-CD1 4.38Å; D113-L155 WeakPolarHBondContact OD1-CD1 3.2Å; D113-L155 VanDerWaalsContact OD1-CD2 3.27Å; D113-L155 WeakPolarHBondContact OD1-CD2 3.39Å
114Q98.6Very high97.5Very high87 Ų8762.7 Ų62.741%0.40734%0.337SS..EExtended strand (participates in β ladder)trans-139.6140.1-178.265.8-169.929.400110.8R96 M97 I123 A124R96-Q114 CarbonylContact C-O 3.53Å; R96-Q114 VanDerWaalsContact CA-O 3.3Å; R96-Q114 WeakPolarHBondContact CA-O 3.36Å; M97-Q114 HydrophobicContact CB-CG 3.94Å; M97-Q114 VanDerWaalsContact CE-CD 3.42Å; M97-Q114 HydrophobicContact CE-CG 3.87Å; M97-Q114 VanDerWaalsContact CE-NE2 3.27Å; M97-Q114 PolarHBondContact N-O 3.15Å; M97-Q114 PolarHBondContact O-N 2.93Å; Q114-I123 WeakPolarHBondContact CA-O 3.49Å; Q114-A124 HydrophobicContact CB-CB 3.89Å
115S98.7Very high97.8Very high25 Ų2557.3 Ų57.318%0.17530%0.301CS..EExtended strand (participates in β ladder)trans-120.9144.5178.9-55.60000111.3Q95 Y122 I123Q95-S115 CarbonylContact O-C 3.5Å; Q95-S115 WeakPolarHBondContact O-CA 3.49Å; S115-Y122 WeakPolarHBondContact O-CB 3.2Å; S115-Y122 PolarHBondContact O-N 2.78Å; S115-I123 PolarHBondContact N-O 3.46Å; S115-I123 PolarHBondContact O-N 3.33Å
116A98.8Very high98Very high17 Ų1754.8 Ų54.814%0.1429%0.288CS..EExtended strand (participates in β ladder)trans-125145.2173.500000110.1L94 Q95 K120L94-A116 WeakPolarHBondContact CD1-O 3.34Å; Q95-A116 HydrophobicContact CB-CB 4.44Å; Q95-A116 PolarHBondContact N-O 3.21Å; Q95-A116 PolarHBondContact O-N 3.48Å; A116-K120 CarbonylContact C-O 3.57Å; A116-K120 WeakPolarHBondContact CA-O 3.25Å; A116-K120 VanDerWaalsContact CB-O 3.26Å; A116-K120 WeakPolarHBondContact CB-O 3.21Å
117Y98.7Very high98.3Very high11 Ų1160.4 Ų60.44%0.04331%0.308CS..EExtended strand (participates in β ladder)trans-124.5126.8177-173.5-122000110L77 L80 Y84 Q86 H92 T93 G119 K120L77-Y117 HydrophobicContact CD2-CE2 3.97Å; L80-Y117 HydrophobicContact CB-CD1 4.37Å; L80-Y117 HydrophobicContact CB-CD2 4.24Å; L80-Y117 HydrophobicContact CB-CE1 3.98Å; L80-Y117 HydrophobicContact CB-CE2 3.87Å; L80-Y117 HydrophobicContact CB-CG 4.47Å; L80-Y117 HydrophobicContact CD1-CD2 3.59Å; L80-Y117 HydrophobicContact CD1-CE2 3.9Å; L80-Y117 HydrophobicContact CD1-CG 4.03Å; L80-Y117 HydrophobicContact CG-CD2 4.44Å; L80-Y117 HydrophobicContact CG-CE2 4.5Å; Y84-Y117 AromaticContact CD2-CD1 3.71Å; Y84-Y117 HydrophobicContact CD2-CD1 3.71Å; Y84-Y117 AromaticContact CD2-CE1 3.48Å; Y84-Y117 HydrophobicContact CD2-CE1 3.48Å; Y84-Y117 VanDerWaalsContact CD2-CE1 3.48Å; Y84-Y117 AromaticContact CE2-CD1 3.45Å; Y84-Y117 HydrophobicContact CE2-CD1 3.45Å; Y84-Y117 VanDerWaalsContact CE2-CD1 3.45Å; Y84-Y117 AromaticContact CE2-CE1 3.76Å; Y84-Y117 HydrophobicContact CE2-CE1 3.76Å; Y84-Y117 HydrophobicContact CE2-CG 4.47Å; Y84-Y117 HydrophobicContact CG-CE1 4.39Å; Q86-Y117 PolarHBondContact OE1-OH 3.14Å; H92-Y117 HydrophobicContact CB-CE2 3.79Å; H92-Y117 WeakPolarHBondContact CB-OH 3.39Å; H92-Y117 AromaticContact CG-CZ 4Å; H92-Y117 AromaticContact ND1-CZ 3.99Å; H92-Y117 PolarHBondContact ND1-OH 3.46Å; T93-Y117 WeakPolarHBondContact O-CA 3.46Å; T93-Y117 WeakPolarHBondContact O-CD2 3.28Å; Y117-G119 PolarHBondContact O-N 3.15Å; Y117-K120 PolarHBondContact N-O 2.93Å; Y117-K120 PolarHBondContact O-N 2.91Å
118D98.1Very high98.4Very high65 Ų6556.3 Ų56.335%0.34830%0.299SS..THydrogen-bonded Turntrans48.940.5-174.3-65.5-23000113.2Q86 H92 T93 K120Q86-D118 PolarHBondContact NE2-OD2 2.87Å; H92-D118 WeakPolarHBondContact CA-OD1 3.42Å; H92-D118 WeakPolarHBondContact CB-OD1 3.32Å; H92-D118 IonicContact CE1-OD2 3.51Å; H92-D118 IonicContact CG-OD1 3.35Å; H92-D118 IonicContact CG-OD2 2.87Å; H92-D118 IonicContact ND1-OD1 2.85Å; H92-D118 IonicContact ND1-OD2 3.42Å; H92-D118 PolarHBondContact ND1-OD2 2.83Å; T93-D118 PolarHBondContact N-OD1 3.37Å; T93-D118 PolarHBondContact O-N 2.85Å; D118-K120 VanDerWaalsContact C-N 3.31Å; D118-K120 PolarHBondContact O-N 2.74Å
119G97.6Very high98.4Very high60 Ų6054.3 Ų54.362%0.61929%0.288SS*.THydrogen-bonded Turntrans78.17.117700000115.2Y117Y117-G119 PolarHBondContact O-N 3.15Å
120K98.5Very high98.4Very high161 Ų16156.4 Ų56.470%0.729%0.287SS*.EExtended strand (participates in β ladder)trans-113.5146.7175.5-62-177.7-177.41780110.8A116 Y117 D118 Y122A116-K120 CarbonylContact C-O 3.57Å; A116-K120 WeakPolarHBondContact CA-O 3.25Å; A116-K120 VanDerWaalsContact CB-O 3.26Å; A116-K120 WeakPolarHBondContact CB-O 3.21Å; Y117-K120 PolarHBondContact N-O 2.93Å; Y117-K120 PolarHBondContact O-N 2.91Å; D118-K120 VanDerWaalsContact C-N 3.31Å; D118-K120 PolarHBondContact O-N 2.74Å; K120-Y122 PolarHBondContact O-N 2.86Å
121D98.7Very high98.4Very high134 Ų13454.4 Ų54.472%0.71729%0.286SS*.EExtended strand (participates in β ladder)trans-53.5137.1174-67.9-14000110.5A135D121-A135 HydrophobicContact CB-CB 4.26Å; D121-A135 WeakPolarHBondContact O-CB 3.31Å
122Y98.8Very high98.4Very high9 Ų955.1 Ų55.14%0.03529%0.288CS..EExtended strand (participates in β ladder)trans-116.4-62.6178.4-178.6-113.6000110.6L80 Y84 S115 K120 A135 A138 A139 T142L80-Y122 HydrophobicContact CD2-CD1 4.27Å; L80-Y122 HydrophobicContact CD2-CD2 4.2Å; L80-Y122 HydrophobicContact CD2-CE1 3.66Å; L80-Y122 HydrophobicContact CD2-CE2 3.54Å; L80-Y122 WeakPolarHBondContact CD2-OH 3.17Å; Y84-Y122 HydrophobicContact CE2-CD2 4.43Å; Y84-Y122 HydrophobicContact CE2-CE2 4.08Å; Y84-Y122 WeakPolarHBondContact OH-CD2 3.38Å; Y84-Y122 VanDerWaalsContact OH-CE2 3.29Å; Y84-Y122 WeakPolarHBondContact OH-CE2 3.3Å; S115-Y122 WeakPolarHBondContact O-CB 3.2Å; S115-Y122 PolarHBondContact O-N 2.78Å; K120-Y122 PolarHBondContact O-N 2.86Å; Y122-A135 WeakPolarHBondContact O-CB 3.44Å; Y122-A135 PolarHBondContact O-N 2.64Å; Y122-A138 HydrophobicContact CE2-CB 4.47Å; Y122-A138 PolarHBondContact OH-O 3.38Å; Y122-A139 HydrophobicContact CD2-CB 3.76Å; Y122-A139 VanDerWaalsContact CE2-CA 3.44Å; Y122-A139 HydrophobicContact CE2-CB 3.63Å; Y122-A139 HydrophobicContact CG-CB 4.32Å; Y122-A139 WeakPolarHBondContact O-CB 3.34Å; Y122-T142 HydrophobicContact CE1-CG2 4.21Å; Y122-T142 PolarHBondContact OH-OG1 3.03Å
123I98.8Very high98.4Very high10 Ų1057 Ų575%0.05130%0.303CS..EExtended strand (participates in β ladder)trans-151.4141.2-179.6-163.7169.7000110.7Q114 S115 W132 T133 T142 Q143 L146Q114-I123 WeakPolarHBondContact CA-O 3.49Å; S115-I123 PolarHBondContact N-O 3.46Å; S115-I123 PolarHBondContact O-N 3.33Å; I123-W132 HydrophobicContact CD1-CB 4.35Å; I123-W132 HydrophobicContact CD1-CD2 4.45Å; I123-W132 HydrophobicContact CD1-CE3 4.16Å; I123-W132 HydrophobicContact CG1-CB 4.39Å; I123-W132 HydrophobicContact CG1-CE3 3.98Å; I123-T133 WeakPolarHBondContact CA-O 3.39Å; I123-T142 HydrophobicContact CD1-CG2 4.01Å; I123-Q143 HydrophobicContact CD1-CB 3.96Å; I123-L146 HydrophobicContact CD1-CD1 3.81Å
124A98.8Very high98.5Very high29 Ų2957.4 Ų57.424%0.2431%0.309CS..EExtended strand (participates in β ladder)trans-134.7140178.500000111.7Q114 W132 T133Q114-A124 HydrophobicContact CB-CB 3.89Å; A124-W132 CarbonylContact O-C 3.54Å; A124-W132 WeakPolarHBondContact O-CA 3.42Å; A124-T133 PolarHBondContact N-O 3.4Å; A124-T133 PolarHBondContact O-N 3.47Å
125L98.8Very high98.5Very high10 Ų1056.1 Ų56.15%0.05231%0.312CS..EExtended strand (participates in β ladder)trans-72.1128.7168-175.868.6000108.8D113 L129 W132 A152 L155 L159D113-L125 HydrophobicContact CB-CB 4.03Å; D113-L125 HydrophobicContact CB-CD2 4.29Å; D113-L125 WeakPolarHBondContact O-CB 3.33Å; D113-L125 PolarHBondContact O-N 2.95Å; L125-L129 HydrophobicContact CD2-CB 4.49Å; L125-L129 HydrophobicContact CD2-CD2 3.78Å; L125-L129 HydrophobicContact CG-CD2 4.32Å; L125-W132 HydrophobicContact CB-CE3 4.08Å; L125-W132 HydrophobicContact CB-CH2 4.24Å; L125-W132 HydrophobicContact CB-CZ3 3.82Å; L125-W132 HydrophobicContact CD1-CD2 4.19Å; L125-W132 HydrophobicContact CD1-CE3 4.35Å; L125-W132 HydrophobicContact CD1-CH2 4.15Å; L125-W132 HydrophobicContact CD1-CZ2 3.94Å; L125-W132 HydrophobicContact CD1-CZ3 4.34Å; L125-A152 HydrophobicContact CD1-CB 3.98Å; L125-L155 HydrophobicContact CD2-CB 4.24Å; L125-L159 HydrophobicContact CD2-CD1 3.82Å
126N98.7Very high98.4Very high42 Ų4257.6 Ų57.623%0.22532%0.318CS..  trans-74.1164.5-179.9-66.6-25.6000111.4D128 L129 S131 W132 T133N126-D128 PolarHBondContact O-N 3.31Å; N126-D128 VanDerWaalsContact O-N 3.11Å; N126-L129 PolarHBondContact O-N 2.89Å; N126-S131 WeakPolarHBondContact CB-O 3.36Å; N126-S131 WeakPolarHBondContact CB-OG 3.44Å; N126-S131 PolarHBondContact N-O 3.28Å; N126-S131 PolarHBondContact ND2-OG 2.98Å; N126-W132 PolarHBondContact ND2-N 2.84Å; N126-T133 WeakPolarHBondContact OD1-CB 3.27Å; N126-T133 PolarHBondContact OD1-N 3.16Å; N126-T133 PolarHBondContact OD1-OG1 2.83Å
127E97.8Very high98.4Very high139 Ų13962 Ų6265%0.6534%0.344SS*.THydrogen-bonded Turntrans-60.2-24.3-177.7-55.6-172.3-169.900113.8R110 L129R110-E127 VanDerWaalsContact CZ-CG 3.5Å; R110-E127 IonicContact CZ-OE1 2.8Å; R110-E127 VanDerWaalsContact NH1-CG 3.32Å; R110-E127 IonicContact NH1-OE1 3.67Å; R110-E127 PolarHBondContact NH1-OE1 3.01Å; R110-E127 IonicContact NH1-OE2 2.78Å; R110-E127 IonicContact NH2-OE1 3.6Å; R110-E127 PolarHBondContact NH2-OE1 3.32Å; E127-L129 PolarHBondContact O-N 3.07Å
128D97.9Very high98.4Very high79 Ų7961.7 Ų61.742%0.42234%0.344SS..THydrogen-bonded Turntrans-70.2-8.3175.369.24.2000113.5N126 R130 S131N126-D128 PolarHBondContact O-N 3.31Å; N126-D128 VanDerWaalsContact O-N 3.11Å; D128-R130 WeakPolarHBondContact O-CG 3.24Å; D128-R130 PolarHBondContact O-N 2.88Å; D128-R130 PolarHBondContact OD1-N 3.21Å; D128-S131 VanDerWaalsContact CG-OG 3.22Å; D128-S131 PolarHBondContact OD1-N 3.03Å; D128-S131 PolarHBondContact OD1-OG 3.42Å; D128-S131 VanDerWaalsContact OD1-OG 3.11Å; D128-S131 WeakPolarHBondContact OD2-CB 3.45Å; D128-S131 PolarHBondContact OD2-OG 3.1Å
129L98.2Very high98.4Very high9 Ų958.6 Ų58.65%0.04733%0.327CS..SBendtrans53.329-175.6-52.4-177.4000113.4L108 L125 N126 E127 R156 L159 E160L108-L129 HydrophobicContact CD2-CD1 4.19Å; L125-L129 HydrophobicContact CD2-CB 4.49Å; L125-L129 HydrophobicContact CD2-CD2 3.78Å; L125-L129 HydrophobicContact CG-CD2 4.32Å; N126-L129 PolarHBondContact O-N 2.89Å; E127-L129 PolarHBondContact O-N 3.07Å; L129-R156 HydrophobicContact CB-CB 4.12Å; L129-R156 HydrophobicContact CB-CG 3.95Å; L129-R156 HydrophobicContact CD1-CG 4.16Å; L129-L159 HydrophobicContact CD1-CB 4.47Å; L129-L159 HydrophobicContact CD2-CD1 3.92Å; L129-E160 HydrophobicContact CD1-CG 4.37Å
130R97.8Very high98.4Very high164 Ų16459.4 Ų59.462%0.61932%0.315SS*.SBendtrans-135.7-32.8-174-71.2168.9-174-107.311.2112.6D128D128-R130 WeakPolarHBondContact O-CG 3.24Å; D128-R130 PolarHBondContact O-N 2.88Å; D128-R130 PolarHBondContact OD1-N 3.21Å
131S98.3Very high98.4Very high39 Ų3954.7 Ų54.727%0.27330%0.297SS..  trans-114.7165.1-177.864.30000111.9N126 D128N126-S131 WeakPolarHBondContact CB-O 3.36Å; N126-S131 WeakPolarHBondContact CB-OG 3.44Å; N126-S131 PolarHBondContact N-O 3.28Å; N126-S131 PolarHBondContact ND2-OG 2.98Å; D128-S131 VanDerWaalsContact CG-OG 3.22Å; D128-S131 PolarHBondContact OD1-N 3.03Å; D128-S131 PolarHBondContact OD1-OG 3.42Å; D128-S131 VanDerWaalsContact OD1-OG 3.11Å; D128-S131 WeakPolarHBondContact OD2-CB 3.45Å; D128-S131 PolarHBondContact OD2-OG 3.1Å
132W98.8Very high98.4Very high17 Ų1749.7 Ų49.76%0.06427%0.271CS..EExtended strand (participates in β ladder)trans-123.1146.6-176.3-60.689.8000110.7I123 A124 L125 N126 Q143 L146 A151 A152 L155I123-W132 HydrophobicContact CD1-CB 4.35Å; I123-W132 HydrophobicContact CD1-CD2 4.45Å; I123-W132 HydrophobicContact CD1-CE3 4.16Å; I123-W132 HydrophobicContact CG1-CB 4.39Å; I123-W132 HydrophobicContact CG1-CE3 3.98Å; A124-W132 CarbonylContact O-C 3.54Å; A124-W132 WeakPolarHBondContact O-CA 3.42Å; L125-W132 HydrophobicContact CB-CE3 4.08Å; L125-W132 HydrophobicContact CB-CH2 4.24Å; L125-W132 HydrophobicContact CB-CZ3 3.82Å; L125-W132 HydrophobicContact CD1-CD2 4.19Å; L125-W132 HydrophobicContact CD1-CE3 4.35Å; L125-W132 HydrophobicContact CD1-CH2 4.15Å; L125-W132 HydrophobicContact CD1-CZ2 3.94Å; L125-W132 HydrophobicContact CD1-CZ3 4.34Å; N126-W132 PolarHBondContact ND2-N 2.84Å; W132-Q143 HydrophobicContact CB-CG 4.1Å; W132-Q143 PolarHBondContact O-NE2 3.33Å; W132-L146 HydrophobicContact CD2-CD1 4Å; W132-L146 HydrophobicContact CE3-CD1 4.07Å; W132-L146 HydrophobicContact CH2-CD1 3.82Å; W132-L146 HydrophobicContact CZ2-CB 4.26Å; W132-L146 HydrophobicContact CZ2-CD1 3.77Å; W132-L146 HydrophobicContact CZ2-CG 4.48Å; W132-L146 HydrophobicContact CZ3-CD1 3.98Å; W132-A151 HydrophobicContact CZ2-CB 4.42Å; W132-A152 HydrophobicContact CZ2-CB 4.38Å; W132-L155 HydrophobicContact CH2-CD1 3.32Å; W132-L155 HydrophobicContact CZ2-CD1 3.69Å; W132-L155 HydrophobicContact CZ3-CD1 4.48Å
133T98.8Very high98.4Very high77 Ų7751.1 Ų51.147%0.47228%0.278SS..EExtended strand (participates in β ladder)trans-107.3117.1165.5-65.30000108.7I123 A124 N126I123-T133 WeakPolarHBondContact CA-O 3.39Å; A124-T133 PolarHBondContact N-O 3.4Å; A124-T133 PolarHBondContact O-N 3.47Å; N126-T133 WeakPolarHBondContact OD1-CB 3.27Å; N126-T133 PolarHBondContact OD1-N 3.16Å; N126-T133 PolarHBondContact OD1-OG1 2.83Å
134A98.7Very high98.4Very high22 Ų2257.8 Ų57.818%0.18230%0.302CS..EExtended strand (participates in β ladder)trans-94.6133.4173.500000110.2A139 Q140 Q143A134-A139 HydrophobicContact CB-CB 3.71Å; A134-Q140 HydrophobicContact CB-CG 3.96Å; A134-Q143 HydrophobicContact CB-CB 4.35Å
135A98.6Very high98.3Very high59 Ų5962 Ų6249%0.48832%0.316SS..SBendtrans-75.5-31.7-176.400000113.3D121 Y122D121-A135 HydrophobicContact CB-CB 4.26Å; D121-A135 WeakPolarHBondContact O-CB 3.31Å; Y122-A135 WeakPolarHBondContact O-CB 3.44Å; Y122-A135 PolarHBondContact O-N 2.64Å
136D98.4Very high98.3Very high56 Ų5663.6 Ų63.630%0.29932%0.324SS..SBendtrans-150.8-174.1-1796721.5000113.3Y84 A138 A139 Q140Y84-D136 WeakPolarHBondContact CE1-OD2 3.32Å; Y84-D136 PolarHBondContact OH-OD1 2.87Å; Y84-D136 PolarHBondContact OH-OD2 3Å; D136-A138 VanDerWaalsContact C-N 3.31Å; D136-A138 PolarHBondContact O-N 3.11Å; D136-A138 WeakPolarHBondContact OD1-CA 3.36Å; D136-A138 WeakPolarHBondContact OD1-CB 3.44Å; D136-A138 PolarHBondContact OD1-N 2.84Å; D136-A139 PolarHBondContact O-N 3Å; D136-A139 PolarHBondContact OD1-N 3.18Å; D136-Q140 WeakPolarHBondContact O-CG 2.99Å; D136-Q140 PolarHBondContact O-N 2.86Å
137T98Very high98.3Very high109 Ų10966 Ų6667%0.66933%0.334SS*.Hα-helixtrans-66.5-30-178.351.90000113.3
138A97.8Very high98.3Very high6 Ų663.6 Ų63.65%0.0534%0.338CS..Hα-helixtrans-70.3-44.2174.100000110.1Y84 Y122 D136 Q140 I141Y84-A138 HydrophobicContact CD1-CB 4.15Å; Y84-A138 HydrophobicContact CE1-CB 3.58Å; Y84-A138 HydrophobicContact CE2-CB 4Å; Y122-A138 HydrophobicContact CE2-CB 4.47Å; Y122-A138 PolarHBondContact OH-O 3.38Å; D136-A138 VanDerWaalsContact C-N 3.31Å; D136-A138 PolarHBondContact O-N 3.11Å; D136-A138 WeakPolarHBondContact OD1-CA 3.36Å; D136-A138 WeakPolarHBondContact OD1-CB 3.44Å; D136-A138 PolarHBondContact OD1-N 2.84Å; A138-Q140 VanDerWaalsContact C-N 3.27Å; A138-Q140 PolarHBondContact O-N 3.29Å; A138-I141 VanDerWaalsContact O-CB 3.26Å; A138-I141 WeakPolarHBondContact O-CB 3.38Å; A138-I141 PolarHBondContact O-N 3.43Å
139A98.5Very high98.3Very high0 Ų063 Ų630%034%0.344CS..Hα-helixtrans-60.4-34.2174.900000113.4Y122 A134 D136 I141 T142 Q143Y122-A139 HydrophobicContact CD2-CB 3.76Å; Y122-A139 VanDerWaalsContact CE2-CA 3.44Å; Y122-A139 HydrophobicContact CE2-CB 3.63Å; Y122-A139 HydrophobicContact CG-CB 4.32Å; Y122-A139 WeakPolarHBondContact O-CB 3.34Å; A134-A139 HydrophobicContact CB-CB 3.71Å; D136-A139 PolarHBondContact O-N 3Å; D136-A139 PolarHBondContact OD1-N 3.18Å; A139-I141 PolarHBondContact O-N 2.91Å; A139-T142 WeakPolarHBondContact O-CB 3.49Å; A139-T142 PolarHBondContact O-N 3.35Å; A139-Q143 PolarHBondContact O-N 2.83Å
140Q98.7Very high98.3Very high76 Ų7670.3 Ų70.336%0.35537%0.371SS..Hα-helixtrans-60.7-28173.9-73.1174.210.200113A134 D136 A138 R144A134-Q140 HydrophobicContact CB-CG 3.96Å; D136-Q140 WeakPolarHBondContact O-CG 2.99Å; D136-Q140 PolarHBondContact O-N 2.86Å; A138-Q140 VanDerWaalsContact C-N 3.27Å; A138-Q140 PolarHBondContact O-N 3.29Å; Q140-R144 WeakPolarHBondContact O-CG 3.42Å; Q140-R144 PolarHBondContact O-N 3.02Å; Q140-R144 VanDerWaalsContact O-N 3.15Å
141I98.2Very high98.3Very high62 Ų6263.3 Ų63.332%0.31835%0.348SS..Hα-helixtrans-65.5-45173.7-57.1171.5000109.7Y83 A138 A139 K145Y83-I141 HydrophobicContact CD1-CD1 4.24Å; Y83-I141 HydrophobicContact CE1-CG2 4.04Å; Y83-I141 HydrophobicContact CE2-CB 4.26Å; Y83-I141 HydrophobicContact CE2-CG2 4.13Å; Y83-I141 HydrophobicContact CG-CD1 4.32Å; A138-I141 VanDerWaalsContact O-CB 3.26Å; A138-I141 WeakPolarHBondContact O-CB 3.38Å; A138-I141 PolarHBondContact O-N 3.43Å; A139-I141 PolarHBondContact O-N 2.91Å; I141-K145 WeakPolarHBondContact O-CG 3.34Å; I141-K145 PolarHBondContact O-N 3.32Å
142T98.1Very high98.3Very high29 Ų2961.8 Ų61.818%0.17834%0.338CS..Hα-helixtrans-65-44.7175.3-69.60000111.3Y122 I123 A139 R144 K145 L146Y122-T142 HydrophobicContact CE1-CG2 4.21Å; Y122-T142 PolarHBondContact OH-OG1 3.03Å; I123-T142 HydrophobicContact CD1-CG2 4.01Å; A139-T142 WeakPolarHBondContact O-CB 3.49Å; A139-T142 PolarHBondContact O-N 3.35Å; T142-R144 PolarHBondContact O-N 3.15Å; T142-K145 WeakPolarHBondContact O-CB 3.18Å; T142-K145 PolarHBondContact O-N 3.35Å; T142-L146 HydrophobicContact CG2-CD1 3.83Å; T142-L146 HydrophobicContact CG2-CG 4.07Å; T142-L146 WeakPolarHBondContact O-CG 3.21Å; T142-L146 PolarHBondContact O-N 2.84Å
143Q98.7Very high98.2Very high40 Ų4066.7 Ų66.719%0.18736%0.361CS..Hα-helixtrans-51.9-52.1178.2175.5174.411.100112I123 W132 A134 A139 K145 L146 E147I123-Q143 HydrophobicContact CD1-CB 3.96Å; W132-Q143 HydrophobicContact CB-CG 4.1Å; W132-Q143 PolarHBondContact O-NE2 3.33Å; A134-Q143 HydrophobicContact CB-CB 4.35Å; A139-Q143 PolarHBondContact O-N 2.83Å; Q143-K145 VanDerWaalsContact C-N 3.26Å; Q143-K145 PolarHBondContact O-N 3.25Å; Q143-L146 PolarHBondContact O-N 2.74Å; Q143-L146 VanDerWaalsContact O-N 3.09Å; Q143-E147 HydrophobicContact CG-CG 4.34Å; Q143-E147 VanDerWaalsContact CG-OE1 3.27Å; Q143-E147 WeakPolarHBondContact CG-OE1 3.38Å; Q143-E147 PolarHBondContact NE2-OE1 3.43Å; Q143-E147 WeakPolarHBondContact O-CG 3.29Å; Q143-E147 PolarHBondContact O-N 3.37Å
144R98.6Very high98.1Very high149 Ų14970 Ų7056%0.56237%0.372SS*.Hα-helixtrans-58.7-37179.5-68.6172.2-168.4129.87.3112.5Q140 T142 A148Q140-R144 WeakPolarHBondContact O-CG 3.42Å; Q140-R144 PolarHBondContact O-N 3.02Å; Q140-R144 VanDerWaalsContact O-N 3.15Å; T142-R144 PolarHBondContact O-N 3.15Å; R144-A148 VanDerWaalsContact O-CB 3.29Å; R144-A148 WeakPolarHBondContact O-CB 3.2Å; R144-A148 PolarHBondContact O-N 3.48Å
145K97.8Very high98Very high119 Ų11970.5 Ų70.552%0.51737%0.371SS..Hα-helixtrans-67.6-43.2176.3-70.3177.8176.2-1760111.6Y83 I141 T142 Q143 A149Y83-K145 PolarHBondContact OH-NZ 3.29Å; I141-K145 WeakPolarHBondContact O-CG 3.34Å; I141-K145 PolarHBondContact O-N 3.32Å; T142-K145 WeakPolarHBondContact O-CB 3.18Å; T142-K145 PolarHBondContact O-N 3.35Å; Q143-K145 VanDerWaalsContact C-N 3.26Å; Q143-K145 PolarHBondContact O-N 3.25Å; K145-A149 VanDerWaalsContact O-CB 3.29Å; K145-A149 WeakPolarHBondContact O-CB 3.47Å; K145-A149 PolarHBondContact O-N 3.02Å
146L98.1Very high98Very high43 Ų4371.1 Ų71.123%0.22536%0.36CS..Hα-helixtrans-65.9-41178.4-66.5177.3000111.8I123 W132 T142 Q143 A149 R150 A151I123-L146 HydrophobicContact CD1-CD1 3.81Å; W132-L146 HydrophobicContact CD2-CD1 4Å; W132-L146 HydrophobicContact CE3-CD1 4.07Å; W132-L146 HydrophobicContact CH2-CD1 3.82Å; W132-L146 HydrophobicContact CZ2-CB 4.26Å; W132-L146 HydrophobicContact CZ2-CD1 3.77Å; W132-L146 HydrophobicContact CZ2-CG 4.48Å; W132-L146 HydrophobicContact CZ3-CD1 3.98Å; T142-L146 HydrophobicContact CG2-CD1 3.83Å; T142-L146 HydrophobicContact CG2-CG 4.07Å; T142-L146 WeakPolarHBondContact O-CG 3.21Å; T142-L146 PolarHBondContact O-N 2.84Å; Q143-L146 PolarHBondContact O-N 2.74Å; Q143-L146 VanDerWaalsContact O-N 3.09Å; L146-A149 CarbonylContact O-C 3.55Å; L146-A149 PolarHBondContact O-N 3.39Å; L146-R150 PolarHBondContact O-N 3.18Å; L146-A151 HydrophobicContact CB-CB 4.05Å; L146-A151 HydrophobicContact CD2-CB 3.68Å; L146-A151 HydrophobicContact CG-CB 4.45Å; L146-A151 PolarHBondContact O-N 3.1Å
147E98.4Very high98Very high92 Ų9271.5 Ų71.543%0.4337%0.371SS..Hα-helixtrans-64.4-47.3175.7-72169.8174.500111.4Q143 A149 R150Q143-E147 HydrophobicContact CG-CG 4.34Å; Q143-E147 VanDerWaalsContact CG-OE1 3.27Å; Q143-E147 WeakPolarHBondContact CG-OE1 3.38Å; Q143-E147 PolarHBondContact NE2-OE1 3.43Å; Q143-E147 WeakPolarHBondContact O-CG 3.29Å; Q143-E147 PolarHBondContact O-N 3.37Å; E147-A149 VanDerWaalsContact C-N 3.26Å; E147-A149 PolarHBondContact O-N 3.44Å; E147-R150 PolarHBondContact O-N 3.34Å
148A98.4Very high98Very high89 Ų8969.4 Ų69.474%0.73635%0.351SS*.Hα-helixtrans-60.7-35.9176.300000112.5R144 R150R144-A148 VanDerWaalsContact O-CB 3.29Å; R144-A148 WeakPolarHBondContact O-CB 3.2Å; R144-A148 PolarHBondContact O-N 3.48Å; A148-R150 VanDerWaalsContact C-N 3.31Å
149A97.8Very high98Very high66 Ų6669.2 Ų69.255%0.54535%0.349SS..THydrogen-bonded Turntrans-83.6-2.2176.800000114K145 L146 E147 A151K145-A149 VanDerWaalsContact O-CB 3.29Å; K145-A149 WeakPolarHBondContact O-CB 3.47Å; K145-A149 PolarHBondContact O-N 3.02Å; L146-A149 CarbonylContact O-C 3.55Å; L146-A149 PolarHBondContact O-N 3.39Å; E147-A149 VanDerWaalsContact C-N 3.26Å; E147-A149 PolarHBondContact O-N 3.44Å; A149-A151 PolarHBondContact O-N 2.8Å
150R97.6Very high98Very high163 Ų16373.4 Ų73.462%0.61537%0.369SS*.THydrogen-bonded Turntrans50.937.1-172.9-57.1-176.5176.8-162.92.3113.3L146 E147 A148 A152 E153L146-R150 PolarHBondContact O-N 3.18Å; E147-R150 PolarHBondContact O-N 3.34Å; A148-R150 VanDerWaalsContact C-N 3.31Å; R150-A152 PolarHBondContact O-N 2.94Å; R150-A152 VanDerWaalsContact O-N 3.15Å; R150-E153 HydrophobicContact CB-CG 4.31Å; R150-E153 WeakPolarHBondContact CD-OE1 3.45Å; R150-E153 IonicContact NH1-OE1 3.82Å; R150-E153 WeakPolarHBondContact O-CB 3.4Å; R150-E153 PolarHBondContact O-N 3.19Å
151A97.6Very high98Very high16 Ų1670.8 Ų70.813%0.13236%0.363CS..Hα-helixtrans-59.9-30.4-174.300000113.1W132 L146 A149 E153 Q154 L155W132-A151 HydrophobicContact CZ2-CB 4.42Å; L146-A151 HydrophobicContact CB-CB 4.05Å; L146-A151 HydrophobicContact CD2-CB 3.68Å; L146-A151 HydrophobicContact CG-CB 4.45Å; L146-A151 PolarHBondContact O-N 3.1Å; A149-A151 PolarHBondContact O-N 2.8Å; A151-E153 PolarHBondContact O-N 2.84Å; A151-Q154 PolarHBondContact O-N 3.12Å; A151-L155 PolarHBondContact O-N 3.31Å; A151-L155 VanDerWaalsContact O-N 3.15Å
152A98.2Very high97.9Very high8 Ų870.4 Ų70.47%0.06636%0.363CS..Hα-helixtrans-59.7-33.5176.600000112.6L125 W132 R150 Q154 L155 R156L125-A152 HydrophobicContact CD1-CB 3.98Å; W132-A152 HydrophobicContact CZ2-CB 4.38Å; R150-A152 PolarHBondContact O-N 2.94Å; R150-A152 VanDerWaalsContact O-N 3.15Å; A152-Q154 PolarHBondContact O-N 3.1Å; A152-L155 PolarHBondContact O-N 3.48Å; A152-R156 WeakPolarHBondContact O-CB 3.49Å; A152-R156 PolarHBondContact O-N 3.01Å
153E97.8Very high97.9Very high120 Ų12069 Ų6956%0.56136%0.355SS*.Hα-helixtrans-65.4-40.3178.6-63.7178.4-172.200111.6R150 A151 A157R150-E153 HydrophobicContact CB-CG 4.31Å; R150-E153 WeakPolarHBondContact CD-OE1 3.45Å; R150-E153 IonicContact NH1-OE1 3.82Å; R150-E153 WeakPolarHBondContact O-CB 3.4Å; R150-E153 PolarHBondContact O-N 3.19Å; A151-E153 PolarHBondContact O-N 2.84Å; E153-A157 PolarHBondContact O-N 3.23Å
154Q96.4Very high97.9Very high147 Ų14767.5 Ų67.569%0.68735%0.348SS*.Hα-helixtrans-68.7-43178.1-62-179.813.700111.4A151 A152 A157 Y158A151-Q154 PolarHBondContact O-N 3.12Å; A152-Q154 PolarHBondContact O-N 3.1Å; Q154-A157 PolarHBondContact O-N 3.37Å; Q154-Y158 PolarHBondContact O-N 3.49Å; Q154-Y158 VanDerWaalsContact O-N 3.1Å
155L97.5Very high97.9Very high31 Ų3166.1 Ų66.116%0.16235%0.348CS..Hα-helixtrans-65-42.5176.9-71.2167.1000111.3D113 L125 W132 A151 A152 A157 Y158 L159D113-L155 HydrophobicContact CB-CD1 4.38Å; D113-L155 WeakPolarHBondContact OD1-CD1 3.2Å; D113-L155 VanDerWaalsContact OD1-CD2 3.27Å; D113-L155 WeakPolarHBondContact OD1-CD2 3.39Å; L125-L155 HydrophobicContact CD2-CB 4.24Å; W132-L155 HydrophobicContact CH2-CD1 3.32Å; W132-L155 HydrophobicContact CZ2-CD1 3.69Å; W132-L155 HydrophobicContact CZ3-CD1 4.48Å; A151-L155 PolarHBondContact O-N 3.31Å; A151-L155 VanDerWaalsContact O-N 3.15Å; A152-L155 PolarHBondContact O-N 3.48Å; L155-A157 VanDerWaalsContact C-N 3.33Å; L155-A157 PolarHBondContact O-N 2.83Å; L155-Y158 WeakPolarHBondContact O-CB 3.25Å; L155-Y158 PolarHBondContact O-N 3.33Å; L155-L159 WeakPolarHBondContact O-CB 3.43Å; L155-L159 WeakPolarHBondContact O-CG 3.4Å; L155-L159 PolarHBondContact O-N 3.28Å
156R98.1Very high97.9Very high73 Ų7362.6 Ų62.628%0.27533%0.332SS..Hα-helixtrans-58.9-44.6174.6-176.1173.7178.5-137.1-14.7111.8L129 A152 Y158 L159 E160L129-R156 HydrophobicContact CB-CB 4.12Å; L129-R156 HydrophobicContact CB-CG 3.95Å; L129-R156 HydrophobicContact CD1-CG 4.16Å; A152-R156 WeakPolarHBondContact O-CB 3.49Å; A152-R156 PolarHBondContact O-N 3.01Å; R156-Y158 VanDerWaalsContact C-N 3.3Å; R156-Y158 PolarHBondContact O-N 2.88Å; R156-L159 PolarHBondContact O-N 3.08Å; R156-E160 HydrophobicContact CG-CG 4.09Å; R156-E160 IonicContact CZ-OE1 3.8Å; R156-E160 VanDerWaalsContact CZ-OE1 3.25Å; R156-E160 IonicContact CZ-OE2 3.51Å; R156-E160 VanDerWaalsContact NE-CD 3.3Å; R156-E160 IonicContact NE-OE1 3.58Å; R156-E160 PolarHBondContact NE-OE1 2.85Å; R156-E160 IonicContact NE-OE2 2.76Å; R156-E160 PolarHBondContact NE-OE2 3.26Å; R156-E160 IonicContact NH2-OE1 3.96Å; R156-E160 PolarHBondContact NH2-OE1 3.39Å; R156-E160 IonicContact NH2-OE2 2.72Å; R156-E160 PolarHBondContact NH2-OE2 3.08Å; R156-E160 WeakPolarHBondContact O-CB 3.48Å; R156-E160 PolarHBondContact O-N 3.15Å
157A98.3Very high97.9Very high63 Ų6360.6 Ų60.652%0.52132%0.321SS..Hα-helixtrans-60-40.1176.200000112.4E153 Q154 L155 G161E153-A157 PolarHBondContact O-N 3.23Å; Q154-A157 PolarHBondContact O-N 3.37Å; L155-A157 VanDerWaalsContact C-N 3.33Å; L155-A157 PolarHBondContact O-N 2.83Å; A157-G161 PolarHBondContact O-N 3.26Å; A157-G161 VanDerWaalsContact O-N 3.08Å
158Y97.4Very high97.8Very high65 Ų6562.2 Ų62.226%0.25532%0.323SS..Iπ-helixtrans-65.1-47.6173.1166.1-102.2000112.1Q154 L155 R156 G161 T162 C163Q154-Y158 PolarHBondContact O-N 3.49Å; Q154-Y158 VanDerWaalsContact O-N 3.1Å; L155-Y158 WeakPolarHBondContact O-CB 3.25Å; L155-Y158 PolarHBondContact O-N 3.33Å; R156-Y158 VanDerWaalsContact C-N 3.3Å; R156-Y158 PolarHBondContact O-N 2.88Å; Y158-G161 CarbonylContact O-C 3.58Å; Y158-G161 PolarHBondContact O-N 3.39Å; Y158-T162 HydrophobicContact CD2-CG2 4.11Å; Y158-T162 HydrophobicContact CE2-CG2 4.07Å; Y158-T162 PolarHBondContact O-N 3.44Å; Y158-T162 VanDerWaalsContact O-N 3.15Å; Y158-C163 HydrophobicContact CE1-CB 4.07Å; Y158-C163 HydrophobicContact CE2-CB 4.41Å; Y158-C163 WeakPolarHBondContact O-CB 3.47Å; Y158-C163 PolarHBondContact O-N 3.1Å
159L98.4Very high97.7Very high2 Ų263.5 Ų63.51%0.0131%0.309CS..Iπ-helixtrans-69.3-38.2-174.4-70169.8000112.7G99 L125 L129 L155 R156 V164G99-L159 WeakPolarHBondContact O-CD2 3.35Å; L125-L159 HydrophobicContact CD2-CD1 3.82Å; L129-L159 HydrophobicContact CD1-CB 4.47Å; L129-L159 HydrophobicContact CD2-CD1 3.92Å; L155-L159 WeakPolarHBondContact O-CB 3.43Å; L155-L159 WeakPolarHBondContact O-CG 3.4Å; L155-L159 PolarHBondContact O-N 3.28Å; R156-L159 PolarHBondContact O-N 3.08Å; L159-V164 WeakPolarHBondContact O-CG2 3.48Å
160E98.1Very high97.7Very high89 Ų8960.4 Ų60.442%0.41628%0.283SS..Iπ-helixtrans-81.8-25.5177.5-68.9179.9165.300113.1L108 L129 R156L108-E160 HydrophobicContact CD2-CB 4.38Å; L108-E160 HydrophobicContact CD2-CG 3.64Å; L129-E160 HydrophobicContact CD1-CG 4.37Å; R156-E160 HydrophobicContact CG-CG 4.09Å; R156-E160 IonicContact CZ-OE1 3.8Å; R156-E160 VanDerWaalsContact CZ-OE1 3.25Å; R156-E160 IonicContact CZ-OE2 3.51Å; R156-E160 VanDerWaalsContact NE-CD 3.3Å; R156-E160 IonicContact NE-OE1 3.58Å; R156-E160 PolarHBondContact NE-OE1 2.85Å; R156-E160 IonicContact NE-OE2 2.76Å; R156-E160 PolarHBondContact NE-OE2 3.26Å; R156-E160 IonicContact NH2-OE1 3.96Å; R156-E160 PolarHBondContact NH2-OE1 3.39Å; R156-E160 IonicContact NH2-OE2 2.72Å; R156-E160 PolarHBondContact NH2-OE2 3.08Å; R156-E160 WeakPolarHBondContact O-CB 3.48Å; R156-E160 PolarHBondContact O-N 3.15Å
161G97.9Very high97.6Very high21 Ų2153.3 Ų53.322%0.21626%0.257CS..Iπ-helixtrans-106.6-92.8-178.200000112.4A157 Y158 C163 V164 E165A157-G161 PolarHBondContact O-N 3.26Å; A157-G161 VanDerWaalsContact O-N 3.08Å; Y158-G161 CarbonylContact O-C 3.58Å; Y158-G161 PolarHBondContact O-N 3.39Å; G161-C163 VanDerWaalsContact C-N 3.3Å; G161-C163 PolarHBondContact O-N 2.98Å; G161-V164 PolarHBondContact O-N 3.24Å; G161-E165 WeakPolarHBondContact O-CG 3.4Å; G161-E165 PolarHBondContact O-N 3.1Å
162T97.4Very high97.5Very high53 Ų5358.2 Ų58.233%0.32528%0.278SS..Iπ-helixtrans-53.9-41.7-170.2-560000113.2Y158 E165 W166Y158-T162 HydrophobicContact CD2-CG2 4.11Å; Y158-T162 HydrophobicContact CE2-CG2 4.07Å; Y158-T162 PolarHBondContact O-N 3.44Å; Y158-T162 VanDerWaalsContact O-N 3.15Å; T162-E165 PolarHBondContact O-N 3.37Å; T162-W166 VanDerWaalsContact CG2-CD1 3.5Å; T162-W166 WeakPolarHBondContact O-CB 3.49Å; T162-W166 PolarHBondContact O-N 3.42Å
163C98.1Very high97.4Very high1 Ų159.9 Ų59.91%0.00729%0.285CS..Hα-helixtrans-61.3-47.7179.1-170.20000111.6M4 C100 Y158 G161 L167M4-C163 HydrophobicContact CE-CB 4.18Å; M4-C163 WeakPolarHBondContact CE-O 3.41Å; M4-C163 WeakPolarHBondContact CE-SG 3.33Å; C100-C163 HydrophobicContact CB-CB 3.93Å; C100-C163 WeakPolarHBondContact CB-SG 3.38Å; C100-C163 PolarHBondContact N-SG 2.87Å; C100-C163 WeakPolarHBondContact SG-CB 3.26Å; C100-C163 CovalentContact SG-SG 2.04Å; C100-C163 PolarHBondContact SG-SG 3.24Å; Y158-C163 HydrophobicContact CE1-CB 4.07Å; Y158-C163 HydrophobicContact CE2-CB 4.41Å; Y158-C163 WeakPolarHBondContact O-CB 3.47Å; Y158-C163 PolarHBondContact O-N 3.1Å; G161-C163 VanDerWaalsContact C-N 3.3Å; G161-C163 PolarHBondContact O-N 2.98Å; C163-L167 WeakPolarHBondContact O-CB 3.35Å; C163-L167 PolarHBondContact O-N 2.87Å
164V98.3Very high97.2Very high7 Ų754.3 Ų54.34%0.04226%0.26CS..Hα-helixtrans-63.2-45.4178.5176.70000111.2L102 L108 L159 G161 L167 R168L102-V164 HydrophobicContact CD1-CG1 4.49Å; L102-V164 HydrophobicContact CD2-CB 4.2Å; L102-V164 HydrophobicContact CD2-CG1 3.78Å; L102-V164 HydrophobicContact CD2-CG2 3.86Å; L108-V164 HydrophobicContact CB-CG2 4.01Å; L108-V164 HydrophobicContact CD1-CG2 4.05Å; L159-V164 WeakPolarHBondContact O-CG2 3.48Å; G161-V164 PolarHBondContact O-N 3.24Å; V164-L167 PolarHBondContact O-N 3.24Å; V164-R168 WeakPolarHBondContact O-CG 3.48Å; V164-R168 PolarHBondContact O-N 3.15Å
165E98.1Very high97Very high121 Ų12152.5 Ų52.557%0.56525%0.25SC*.Hα-helixtrans-60.2-47.8179.9-71.4171.9176.100111.9G161 T162 R168 R169G161-E165 WeakPolarHBondContact O-CG 3.4Å; G161-E165 PolarHBondContact O-N 3.1Å; T162-E165 PolarHBondContact O-N 3.37Å; E165-R168 PolarHBondContact O-N 3.33Å; E165-R169 PolarHBondContact O-N 2.87Å
166W97.7Very high96.6Very high45 Ų4558.7 Ų58.717%0.1728%0.278CS..Hα-helixtrans-70.5-39.4-179.8-81.596.2000112.6M4 Y58 T162 R168 R169 Y170M4-W166 HydrophobicContact CE-CB 4.14Å; M4-W166 HydrophobicContact SD-CB 4.46Å; Y58-W166 AromaticContact CD2-CH2 3.47Å; Y58-W166 HydrophobicContact CD2-CH2 3.47Å; Y58-W166 VanDerWaalsContact CD2-CH2 3.47Å; Y58-W166 HydrophobicContact CD2-CZ2 4.23Å; Y58-W166 AromaticContact CD2-CZ3 3.68Å; Y58-W166 HydrophobicContact CD2-CZ3 3.68Å; Y58-W166 HydrophobicContact CE2-CE3 4.07Å; Y58-W166 AromaticContact CE2-CH2 3.75Å; Y58-W166 HydrophobicContact CE2-CH2 3.75Å; Y58-W166 HydrophobicContact CE2-CZ2 4.44Å; Y58-W166 AromaticContact CE2-CZ3 3.51Å; Y58-W166 HydrophobicContact CE2-CZ3 3.51Å; T162-W166 VanDerWaalsContact CG2-CD1 3.5Å; T162-W166 WeakPolarHBondContact O-CB 3.49Å; T162-W166 PolarHBondContact O-N 3.42Å; W166-R168 VanDerWaalsContact C-N 3.33Å; W166-R168 PolarHBondContact O-N 3.04Å; W166-R169 PolarHBondContact O-N 3.35Å; W166-Y170 HydrophobicContact CB-CE2 4.04Å; W166-Y170 HydrophobicContact CE3-CD1 4.33Å; W166-Y170 AromaticContact CE3-CE1 3.46Å; W166-Y170 HydrophobicContact CE3-CE1 3.46Å; W166-Y170 VanDerWaalsContact CE3-CE1 3.46Å; W166-Y170 HydrophobicContact CE3-CE2 4.25Å; W166-Y170 AromaticContact CE3-CZ 3.4Å; W166-Y170 VanDerWaalsContact CE3-CZ 3.4Å; W166-Y170 VanDerWaalsContact CE3-OH 3.22Å; W166-Y170 AromaticContact CZ3-CE1 3.85Å; W166-Y170 HydrophobicContact CZ3-CE1 3.85Å; W166-Y170 VanDerWaalsContact O-CD2 3.23Å; W166-Y170 WeakPolarHBondContact O-CD2 3.27Å; W166-Y170 VanDerWaalsContact O-CG 3.24Å; W166-Y170 PolarHBondContact O-N 2.87Å
167L98.2Very high96.1Very high0 Ų059 Ų590%029%0.288CS..Hα-helixtrans-60.3-43.9174.9175.450000111.1H2 M4 V27 L102 C163 V164 R169 Y170 L171H2-L167 HydrophobicContact CB-CD1 4.38Å; M4-L167 HydrophobicContact CB-CB 4.06Å; M4-L167 HydrophobicContact CB-CD1 4.05Å; M4-L167 HydrophobicContact CB-CD2 3.95Å; M4-L167 HydrophobicContact CB-CG 4.24Å; M4-L167 HydrophobicContact CE-CB 4.32Å; M4-L167 HydrophobicContact SD-CB 4.34Å; V27-L167 HydrophobicContact CG1-CD1 3.66Å; V27-L167 HydrophobicContact CG2-CD1 4.31Å; L102-L167 HydrophobicContact CD1-CB 4.3Å; L102-L167 HydrophobicContact CD1-CD2 3.72Å; L102-L167 HydrophobicContact CD1-CG 3.78Å; L102-L167 HydrophobicContact CG-CD2 3.59Å; L102-L167 HydrophobicContact CG-CG 4.25Å; C163-L167 WeakPolarHBondContact O-CB 3.35Å; C163-L167 PolarHBondContact O-N 2.87Å; V164-L167 PolarHBondContact O-N 3.24Å; L167-R169 PolarHBondContact O-N 3.25Å; L167-Y170 PolarHBondContact O-N 3.02Å; L167-L171 HydrophobicContact CD1-CD1 3.81Å; L167-L171 HydrophobicContact CD1-CD2 4.46Å; L167-L171 HydrophobicContact CD1-CG 3.87Å; L167-L171 HydrophobicContact CG-CD1 4.01Å; L167-L171 WeakPolarHBondContact O-CB 3.43Å; L167-L171 VanDerWaalsContact O-CG 3.22Å; L167-L171 WeakPolarHBondContact O-CG 3.49Å; L167-L171 PolarHBondContact O-N 3.34Å
168R97.1Very high95.6Very high126 Ų12656.9 Ų56.948%0.47527%0.268SS..Hα-helixtrans-60.4-43.5174.2-72.2174.4-178166.7-0.1112.3L102 G106 V164 E165 W166 L171 E172L102-R168 HydrophobicContact CD1-CG 3.97Å; G106-R168 PolarHBondContact O-NE 3.5Å; G106-R168 VanDerWaalsContact O-NE 3.13Å; G106-R168 PolarHBondContact O-NH2 2.78Å; V164-R168 WeakPolarHBondContact O-CG 3.48Å; V164-R168 PolarHBondContact O-N 3.15Å; E165-R168 PolarHBondContact O-N 3.33Å; W166-R168 VanDerWaalsContact C-N 3.33Å; W166-R168 PolarHBondContact O-N 3.04Å; R168-L171 PolarHBondContact O-N 2.98Å; R168-E172 PolarHBondContact O-N 3.07Å
169R96.8Very high94.9Very high117 Ų11757.7 Ų57.744%0.44227%0.274SS..Hα-helixtrans-60.9-46.6177179177.1173102.5-4.8111.6E54 E165 W166 L167 L171 E172 N173E54-R169 IonicContact OE1-CZ 2.73Å; E54-R169 IonicContact OE1-NE 2.91Å; E54-R169 PolarHBondContact OE1-NE 3.09Å; E54-R169 IonicContact OE1-NH2 3.64Å; E54-R169 PolarHBondContact OE1-NH2 2.93Å; E54-R169 IonicContact OE2-CZ 3.16Å; E54-R169 IonicContact OE2-NE 3.29Å; E54-R169 PolarHBondContact OE2-NE 2.9Å; E54-R169 IonicContact OE2-NH2 3Å; E54-R169 PolarHBondContact OE2-NH2 2.78Å; E165-R169 PolarHBondContact O-N 2.87Å; W166-R169 PolarHBondContact O-N 3.35Å; L167-R169 PolarHBondContact O-N 3.25Å; R169-L171 VanDerWaalsContact C-N 3.34Å; R169-L171 PolarHBondContact O-N 3.41Å; R169-E172 PolarHBondContact O-N 3.39Å; R169-N173 WeakPolarHBondContact O-CB 3.26Å; R169-N173 PolarHBondContact O-N 2.9Å; R169-N173 PolarHBondContact O-OD1 3.21Å
170Y96.8Very high93.8Very high1 Ų166.6 Ų66.60%0.00431%0.308CS..Hα-helixtrans-66.3-36.7179-61.9-33000112.6M4 V27 F32 W50 V51 Y58 W166 L167 E172 N173 G174M4-Y170 HydrophobicContact SD-CD2 3.74Å; M4-Y170 HydrophobicContact SD-CE2 3.58Å; M4-Y170 VanDerWaalsContact SD-CE2 3.58Å; V27-Y170 HydrophobicContact CG2-CD2 3.83Å; V27-Y170 HydrophobicContact CG2-CG 4.33Å; F32-Y170 HydrophobicContact CE2-CD2 4.39Å; F32-Y170 AromaticContact CE2-CE2 3.72Å; F32-Y170 HydrophobicContact CE2-CE2 3.72Å; F32-Y170 AromaticContact CE2-CZ 3.83Å; F32-Y170 HydrophobicContact CZ-CD2 4.29Å; F32-Y170 AromaticContact CZ-CE2 3.69Å; F32-Y170 HydrophobicContact CZ-CE2 3.69Å; W50-Y170 HydrophobicContact CE3-CD1 4.24Å; W50-Y170 HydrophobicContact CE3-CG 4.43Å; W50-Y170 HydrophobicContact CH2-CD2 4.5Å; W50-Y170 HydrophobicContact CH2-CG 4.09Å; W50-Y170 AromaticContact CZ3-CD1 3.57Å; W50-Y170 HydrophobicContact CZ3-CD1 3.57Å; W50-Y170 HydrophobicContact CZ3-CD2 4.28Å; W50-Y170 HydrophobicContact CZ3-CE1 4.33Å; W50-Y170 AromaticContact CZ3-CG 3.54Å; W50-Y170 HydrophobicContact CZ3-CG 3.54Å; V51-Y170 HydrophobicContact CG2-CE1 4.36Å; Y58-Y170 VanDerWaalsContact CE2-OH 3.29Å; Y58-Y170 WeakPolarHBondContact CE2-OH 3.4Å; Y58-Y170 PolarHBondContact OH-OH 3.44Å; W166-Y170 HydrophobicContact CB-CE2 4.04Å; W166-Y170 HydrophobicContact CE3-CD1 4.33Å; W166-Y170 AromaticContact CE3-CE1 3.46Å; W166-Y170 HydrophobicContact CE3-CE1 3.46Å; W166-Y170 VanDerWaalsContact CE3-CE1 3.46Å; W166-Y170 HydrophobicContact CE3-CE2 4.25Å; W166-Y170 AromaticContact CE3-CZ 3.4Å; W166-Y170 VanDerWaalsContact CE3-CZ 3.4Å; W166-Y170 VanDerWaalsContact CE3-OH 3.22Å; W166-Y170 AromaticContact CZ3-CE1 3.85Å; W166-Y170 HydrophobicContact CZ3-CE1 3.85Å; W166-Y170 VanDerWaalsContact O-CD2 3.23Å; W166-Y170 WeakPolarHBondContact O-CD2 3.27Å; W166-Y170 VanDerWaalsContact O-CG 3.24Å; W166-Y170 PolarHBondContact O-N 2.87Å; L167-Y170 PolarHBondContact O-N 3.02Å; Y170-E172 VanDerWaalsContact C-N 3.31Å; Y170-E172 PolarHBondContact O-N 3.01Å; Y170-N173 PolarHBondContact O-N 3.23Å; Y170-G174 WeakPolarHBondContact O-CA 3.43Å; Y170-G174 PolarHBondContact O-N 3.17Å
171L96.4Very high91.6Very high13 Ų1370.7 Ų70.77%0.06836%0.356CS..Hα-helixtrans-64.5-35.2174.2-73.2169.1000112.7H2 V27 L167 R168 R169 K175 L178 Q179H2-L171 HydrophobicContact CB-CD1 3.65Å; H2-L171 HydrophobicContact CB-CD2 4Å; H2-L171 HydrophobicContact CB-CG 4.4Å; H2-L171 WeakPolarHBondContact ND1-CD2 3.49Å; V27-L171 HydrophobicContact CG1-CD2 4.08Å; L167-L171 HydrophobicContact CD1-CD1 3.81Å; L167-L171 HydrophobicContact CD1-CD2 4.46Å; L167-L171 HydrophobicContact CD1-CG 3.87Å; L167-L171 HydrophobicContact CG-CD1 4.01Å; L167-L171 WeakPolarHBondContact O-CB 3.43Å; L167-L171 VanDerWaalsContact O-CG 3.22Å; L167-L171 WeakPolarHBondContact O-CG 3.49Å; L167-L171 PolarHBondContact O-N 3.34Å; R168-L171 PolarHBondContact O-N 2.98Å; R169-L171 VanDerWaalsContact C-N 3.34Å; R169-L171 PolarHBondContact O-N 3.41Å; L171-K175 VanDerWaalsContact O-CA 3.23Å; L171-K175 WeakPolarHBondContact O-CA 3.43Å; L171-K175 WeakPolarHBondContact O-CB 3.47Å; L171-K175 PolarHBondContact O-N 2.96Å; L171-L178 HydrophobicContact CD2-CB 4.25Å; L171-L178 HydrophobicContact CD2-CD1 4.29Å; L171-Q179 PolarHBondContact O-NE2 3Å; L171-Q179 VanDerWaalsContact O-NE2 3.12Å
172E95.6Very high91.3Very high120 Ų12073.2 Ų73.256%0.56136%0.363SS*.Hα-helixtrans-72.3-48.1174.3-171.559.9-153.400111R168 R169 Y170 G174 K175R168-E172 PolarHBondContact O-N 3.07Å; R169-E172 PolarHBondContact O-N 3.39Å; Y170-E172 VanDerWaalsContact C-N 3.31Å; Y170-E172 PolarHBondContact O-N 3.01Å; E172-G174 VanDerWaalsContact C-N 3.28Å; E172-G174 PolarHBondContact O-N 3.12Å; E172-K175 WeakPolarHBondContact O-CB 3.46Å; E172-K175 PolarHBondContact O-N 3.3Å
173N94.9Very high90.9Very high42 Ų4274.2 Ų74.223%0.22537%0.365CS..Hα-helixtrans-58.9-41177.6-65.5-4.8000112W50 Q53 E54 R169 Y170W50-N173 HydrophobicContact CB-CB 4.27Å; Q53-N173 PolarHBondContact NE2-ND2 3.3Å; Q53-N173 VanDerWaalsContact NE2-ND2 3.15Å; Q53-N173 PolarHBondContact NE2-OD1 3.15Å; E54-N173 PolarHBondContact OE1-ND2 3.04Å; E54-N173 VanDerWaalsContact OE1-ND2 3.16Å; R169-N173 WeakPolarHBondContact O-CB 3.26Å; R169-N173 PolarHBondContact O-N 2.9Å; R169-N173 PolarHBondContact O-OD1 3.21Å; Y170-N173 PolarHBondContact O-N 3.23Å
174G94Very high90.5Very high3 Ų378.3 Ų78.33%0.03139%0.385CS..THydrogen-bonded Turntrans-98.813.5-175.900000114.3Y170 E172 E176 T177 L178Y170-G174 WeakPolarHBondContact O-CA 3.43Å; Y170-G174 PolarHBondContact O-N 3.17Å; E172-G174 VanDerWaalsContact C-N 3.28Å; E172-G174 PolarHBondContact O-N 3.12Å; G174-E176 PolarHBondContact O-N 2.9Å; G174-E176 VanDerWaalsContact O-N 3.11Å; G174-T177 PolarHBondContact O-N 2.84Å; G174-T177 PolarHBondContact O-OG1 2.72Å; G174-L178 PolarHBondContact O-N 3.03Å
175K92.5Very high90.1Very high110 Ų11082.5 Ų82.548%0.47841%0.405SS..Hα-helixtrans-49.7-42.3-170.9-176.3175.8-175.3174.30113.6L171 E172 T177 Q179L171-K175 VanDerWaalsContact O-CA 3.23Å; L171-K175 WeakPolarHBondContact O-CA 3.43Å; L171-K175 WeakPolarHBondContact O-CB 3.47Å; L171-K175 PolarHBondContact O-N 2.96Å; E172-K175 WeakPolarHBondContact O-CB 3.46Å; E172-K175 PolarHBondContact O-N 3.3Å; K175-T177 PolarHBondContact O-N 3.1Å; K175-Q179 WeakPolarHBondContact O-CB 3.29Å; K175-Q179 PolarHBondContact O-N 3.45Å
176E88.4Confident89.6Confident160 Ų16080.1 Ų80.175%0.74840%0.395SS*.Hα-helixtrans-65.2-18.6179.5-65.7-170.7172.100113.9G174 R180G174-E176 PolarHBondContact O-N 2.9Å; G174-E176 VanDerWaalsContact O-N 3.11Å; E176-R180 WeakPolarHBondContact O-CD 3.29Å; E176-R180 VanDerWaalsContact O-CG 3.27Å; E176-R180 WeakPolarHBondContact O-CG 3.5Å; E176-R180 PolarHBondContact O-NE 3.32Å; E176-R180 PolarHBondContact O-NH2 3.02Å
177T87.6Confident89.1Confident81 Ų8182.4 Ų82.450%0.49741%0.41SS..Hα-helixtrans-113.4-41.9-177.154.80000112.8G174 K175G174-T177 PolarHBondContact O-N 2.84Å; G174-T177 PolarHBondContact O-OG1 2.72Å; K175-T177 PolarHBondContact O-N 3.1Å
178L86.9Confident88.4Confident18 Ų1888.3 Ų88.39%0.09444%0.44CS..Hα-helixtrans-84.2-21.5-173.9-62.7172.4000113.4V27 T30 W50 L171 G174V27-L178 HydrophobicContact CB-CD1 4.4Å; V27-L178 HydrophobicContact CG1-CD1 3.84Å; V27-L178 HydrophobicContact CG1-CD2 4.32Å; T30-L178 HydrophobicContact CG2-CD2 4.26Å; W50-L178 HydrophobicContact CD2-CD1 4.48Å; W50-L178 HydrophobicContact CZ2-CD1 3.96Å; W50-L178 HydrophobicContact CZ2-CD2 4.4Å; L171-L178 HydrophobicContact CD2-CB 4.25Å; L171-L178 HydrophobicContact CD2-CD1 4.29Å; G174-L178 PolarHBondContact O-N 3.03Å
179Q83.3Confident87.7Confident82 Ų8285.4 Ų85.438%0.38344%0.437SS..THydrogen-bonded Turntrans-113.522.5-177.7-57.6-179.623.600112.5L171 K175 A181L171-Q179 PolarHBondContact O-NE2 3Å; L171-Q179 VanDerWaalsContact O-NE2 3.12Å; K175-Q179 WeakPolarHBondContact O-CB 3.29Å; K175-Q179 PolarHBondContact O-N 3.45Å; Q179-A181 PolarHBondContact O-N 3Å
180R74.9Confident87Confident189 Ų18982.8 Ų82.871%0.71344%0.437SS*.  trans-70.6119.5169.3-69.2-169.5179.7178.47108.5E176E176-R180 WeakPolarHBondContact O-CD 3.29Å; E176-R180 VanDerWaalsContact O-CG 3.27Å; E176-R180 WeakPolarHBondContact O-CG 3.5Å; E176-R180 PolarHBondContact O-NE 3.32Å; E176-R180 PolarHBondContact O-NH2 3.02Å
181A52.4Low86.1Confident174 Ų17490.2 Ų90.2100%1.43848%0.476SS*.  trans-72.60173.600000111.4Q179Q179-A181 PolarHBondContact O-N 3Å

Retrieved 181 of 181 residues in 106.7 ms (Link to these results)

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