A0A060GZE8_HUMAN Loading...

MHC class I antigen

AlphaFold DB , UniProt , Accession A0A060GZE8, Species HUMAN (Homo sapiens, Human), Gene HLA-C, Length 71 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
1S93.4Very high97Very high164 Ų16499 Ų99100%1.14753%0.531SS*.  0137.70-173.30000106.8
2H97Very high96.6Very high157 Ų15798.3 Ų98.373%0.72754%0.539SS*.  trans-115.8153.3175.2-66.3-79.1000109.4D28H2-D28 WeakPolarHBondContact CA-OD1 3.2Å; H2-D28 IonicContact CE1-OD2 2.69Å; H2-D28 IonicContact CG-OD2 2.83Å; H2-D28 IonicContact ND1-OD1 3.93Å; H2-D28 IonicContact ND1-OD2 3.66Å; H2-D28 PolarHBondContact ND1-OD2 2.85Å
3S98.1Very high96.1Very high46 Ų4696.7 Ų96.732%0.32252%0.52SS..  trans-134.5151.317869.80000112.2D28S3-D28 PolarHBondContact N-OD1 3.19Å; S3-D28 PolarHBondContact O-N 2.78Å
4M97.9Very high95.3Very high124 Ų12498.5 Ų98.561%0.61154%0.54SS*.EExtended strand (participates in β ladder)trans-123.6132.9170-175175.365.200108.1Y6 Y26 V27 F32M4-Y6 HydrophobicContact CE-CE2 4.06Å; M4-Y6 HydrophobicContact CG-CD2 4.48Å; M4-Y6 HydrophobicContact CG-CE2 4.03Å; M4-Y6 HydrophobicContact SD-CE2 3.9Å; M4-Y26 WeakPolarHBondContact CA-O 3.32Å; M4-Y26 WeakPolarHBondContact CG-O 3.19Å; M4-V27 HydrophobicContact CG-CG2 4.36Å; M4-F32 HydrophobicContact SD-CZ 4.45Å
5K98.3Very high94.6Very high96 Ų9697.9 Ų97.942%0.41757%0.565SS.*EExtended strand (participates in β ladder)trans-134.4137.5-176.3-63.1173.6-171.3163.10110F7 G25 Y26K5-F7 HydrophobicContact CB-CE2 3.83Å; K5-F7 HydrophobicContact CB-CZ 4.31Å; K5-F7 HydrophobicContact CD-CE2 4.41Å; K5-F7 HydrophobicContact CD-CZ 4.28Å; K5-G25 CarbonylContact O-C 3.57Å; K5-G25 WeakPolarHBondContact O-CA 3.42Å; K5-Y26 PolarHBondContact N-O 2.77Å; K5-Y26 PolarHBondContact O-N 2.89Å
6Y97.9Very high93.5Very high75 Ų75105.6 Ų105.629%0.29458%0.582SS.*EExtended strand (participates in β ladder)trans-118.4134.8169.3-74.6-96.3000109.3M4 F8 V24 F32 V33M4-Y6 HydrophobicContact CE-CE2 4.06Å; M4-Y6 HydrophobicContact CG-CD2 4.48Å; M4-Y6 HydrophobicContact CG-CE2 4.03Å; M4-Y6 HydrophobicContact SD-CE2 3.9Å; Y6-F8 HydrophobicContact CD1-CZ 4.38Å; Y6-F8 HydrophobicContact CG-CZ 4.31Å; Y6-V24 CarbonylContact C-O 3.56Å; Y6-V24 WeakPolarHBondContact CA-O 3.49Å; Y6-F32 HydrophobicContact CE1-CZ 4.35Å; Y6-F32 HydrophobicContact CE2-CZ 4.43Å; Y6-F32 AromaticContact CZ-CZ 3.8Å; Y6-F32 WeakPolarHBondContact OH-CZ 3.43Å; Y6-V33 HydrophobicContact CE1-CG1 3.93Å
7F98Very high92.9Very high109 Ų109103.1 Ų103.148%0.47859%0.586SS.*EExtended strand (participates in β ladder)trans-116.7127.2175.2-62.6-89.2000108.9K5 S23 V24 Y26K5-F7 HydrophobicContact CB-CE2 3.83Å; K5-F7 HydrophobicContact CB-CZ 4.31Å; K5-F7 HydrophobicContact CD-CE2 4.41Å; K5-F7 HydrophobicContact CD-CZ 4.28Å; F7-S23 WeakPolarHBondContact O-CA 3.42Å; F7-V24 PolarHBondContact N-O 2.83Å; F7-V24 PolarHBondContact O-N 2.93Å; F7-Y26 AromaticContact CD2-CD2 3.91Å; F7-Y26 HydrophobicContact CD2-CD2 3.91Å; F7-Y26 HydrophobicContact CD2-CE2 4.09Å; F7-Y26 AromaticContact CE2-CD2 3.94Å; F7-Y26 HydrophobicContact CE2-CD2 3.94Å; F7-Y26 HydrophobicContact CE2-CE2 4.29Å
8F97.4Very high92.6Very high97 Ų97106.6 Ų106.643%0.42560%0.596SS.*EExtended strand (participates in β ladder)trans-114.9129.1177.6-53.4-71.9000108.4Y6 F21 I22 S23Y6-F8 HydrophobicContact CD1-CZ 4.38Å; Y6-F8 HydrophobicContact CG-CZ 4.31Å; F8-F21 HydrophobicContact CB-CE2 4.04Å; F8-F21 HydrophobicContact CB-CZ 4.19Å; F8-F21 HydrophobicContact CD1-CE1 4.48Å; F8-F21 HydrophobicContact CD1-CE2 4.34Å; F8-F21 AromaticContact CD1-CZ 3.63Å; F8-F21 HydrophobicContact CD1-CZ 3.63Å; F8-F21 HydrophobicContact CE1-CZ 4.49Å; F8-F21 HydrophobicContact CG-CZ 4.28Å; F8-I22 WeakPolarHBondContact CA-O 3.3Å; F8-S23 VanDerWaalsContact CE1-OG 3.27Å; F8-S23 WeakPolarHBondContact CE1-OG 3.36Å
9T97.6Very high92.6Very high73 Ų73104.2 Ų104.245%0.44859%0.586SS.*EExtended strand (participates in β ladder)trans-129122.2178.2-56.10000108.5V11 F21 I22T9-V11 HydrophobicContact CG2-CG2 4.04Å; T9-F21 CarbonylContact O-C 3.59Å; T9-F21 WeakPolarHBondContact O-CA 3.42Å; T9-I22 PolarHBondContact N-O 2.98Å; T9-I22 PolarHBondContact O-N 3.4Å
10S95.8Very high92.8Very high76 Ų76102.7 Ų102.753%0.53157%0.571SS.*EExtended strand (participates in β ladder)trans-111.8128.5169.9-173.90000109.1P19 R20S10-P19 WeakPolarHBondContact OG-CB 3.42Å; S10-R20 CarbonylContact C-O 3.57Å; S10-R20 WeakPolarHBondContact CA-O 3.21Å
11V95.1Very high93Very high72 Ų7298.2 Ų98.244%0.43655%0.545SS..EExtended strand (participates in β ladder)trans-116.7111.3179.9-1750000108.3T9 P19 R20T9-V11 HydrophobicContact CG2-CG2 4.04Å; V11-P19 WeakPolarHBondContact O-CA 3.34Å; V11-R20 PolarHBondContact N-O 2.86Å; V11-R20 PolarHBondContact O-N 2.93Å
12S92.6Very high93.2Very high91 Ų9191.7 Ų91.764%0.63650%0.497SS*.  trans-65.4149.1176.662.60000111.4
13R90.2Very high93.2Very high77 Ų7784.2 Ų84.229%0.29146%0.463SS..  trans-134.978.2-175.1-69.7179.6169179.5-8.1112G15 R16 R20 D38R13-G15 PolarHBondContact O-N 2.91Å; R13-G15 VanDerWaalsContact O-N 3.09Å; R13-R16 HydrophobicContact CB-CB 4.16Å; R13-R16 PolarHBondContact O-N 3Å; R13-R20 VanDerWaalsContact CZ-CB 3.49Å; R13-R20 VanDerWaalsContact NH2-CD 3.3Å; R13-D38 IonicContact CZ-OD1 3.64Å; R13-D38 IonicContact CZ-OD2 3.59Å; R13-D38 IonicContact NH1-OD1 3.58Å; R13-D38 PolarHBondContact NH1-OD1 2.8Å; R13-D38 IonicContact NH1-OD2 2.79Å; R13-D38 PolarHBondContact NH1-OD2 3.49Å; R13-D38 IonicContact NH2-OD1 3.79Å; R13-D38 IonicContact NH2-OD2 3.76Å; R13-D38 PolarHBondContact NH2-OD2 2.86Å
14P84.8Confident93.3Very high122 Ų12282.9 Ų82.979%0.79245%0.452SS*.THydrogen-bonded Turntrans-53.8121177.7-23.633.7000110.8R16P14-R16 PolarHBondContact O-N 3.48Å
15G84.8Confident93.3Very high89 Ų8977 Ų7792%0.91842%0.423SS*.THydrogen-bonded Turntrans78.95.7178.300000116.6R13R13-G15 PolarHBondContact O-N 2.91Å; R13-G15 VanDerWaalsContact O-N 3.09Å
16R76.8Confident93.3Very high222 Ų22275.7 Ų75.784%0.83842%0.416SS*.SBendtrans-126.618.3-179.8-69.2-173.9177.7179.3-0.5114.9R13 P14R13-R16 HydrophobicContact CB-CB 4.16Å; R13-R16 PolarHBondContact O-N 3Å; P14-R16 PolarHBondContact O-N 3.48Å
17G83.8Confident93.3Very high63 Ų6374.4 Ų74.465%0.64942%0.416SS*.SBendtrans94.2-147.7175.100000113.5
18E88.3Confident93.3Very high165 Ų16571.7 Ų71.777%0.77141%0.406SS*.SBendtrans-62.5150-176.3-68.4177.6171.500112.4
19P92.4Very high93.3Very high61 Ų6174 Ų7440%0.39642%0.424SS..PPolyproline II helixtrans-57.7146.4172.7-21.733.4000111.7S10 V11 F21S10-P19 WeakPolarHBondContact OG-CB 3.42Å; V11-P19 WeakPolarHBondContact O-CA 3.34Å; P19-F21 PolarHBondContact O-N 2.83Å
20R95.3Very high93.3Very high75 Ų7574.2 Ų74.228%0.28342%0.424SS..EExtended strand (participates in β ladder)trans-80.2123.5167.8178.1-179.6-177.4-176.94.9109.3S10 V11 R13 I22 D36 S37 D38S10-R20 CarbonylContact C-O 3.57Å; S10-R20 WeakPolarHBondContact CA-O 3.21Å; V11-R20 PolarHBondContact N-O 2.86Å; V11-R20 PolarHBondContact O-N 2.93Å; R13-R20 VanDerWaalsContact CZ-CB 3.49Å; R13-R20 VanDerWaalsContact NH2-CD 3.3Å; R20-I22 HydrophobicContact CG-CG1 4.17Å; R20-D36 IonicContact CZ-OD1 3.12Å; R20-D36 IonicContact CZ-OD2 3.52Å; R20-D36 IonicContact NE-OD1 2.8Å; R20-D36 PolarHBondContact NE-OD1 3.06Å; R20-D36 IonicContact NE-OD2 2.86Å; R20-D36 IonicContact NH2-OD1 2.62Å; R20-D36 PolarHBondContact NH2-OD1 3.09Å; R20-D36 IonicContact NH2-OD2 3.36Å; R20-D36 PolarHBondContact NH2-OD2 3.2Å; R20-S37 WeakPolarHBondContact CA-OG 3.18Å; R20-D38 WeakPolarHBondContact CD-OD2 3.05Å; R20-D38 HydrophobicContact CG-CB 4.2Å; R20-D38 IonicContact NE-OD2 2.78Å
21F96.8Very high93.4Very high9 Ų972.8 Ų72.84%0.03941%0.41CS..EExtended strand (participates in β ladder)trans-106.1133.7174.3-179.2-98.2000111F8 T9 P19 F35 S37 Q69 A70F8-F21 HydrophobicContact CB-CE2 4.04Å; F8-F21 HydrophobicContact CB-CZ 4.19Å; F8-F21 HydrophobicContact CD1-CE1 4.48Å; F8-F21 HydrophobicContact CD1-CE2 4.34Å; F8-F21 AromaticContact CD1-CZ 3.63Å; F8-F21 HydrophobicContact CD1-CZ 3.63Å; F8-F21 HydrophobicContact CE1-CZ 4.49Å; F8-F21 HydrophobicContact CG-CZ 4.28Å; T9-F21 CarbonylContact O-C 3.59Å; T9-F21 WeakPolarHBondContact O-CA 3.42Å; P19-F21 PolarHBondContact O-N 2.83Å; F21-F35 AromaticContact CD1-CD1 3.9Å; F21-F35 HydrophobicContact CD1-CD1 3.9Å; F21-F35 AromaticContact CD1-CE1 3.94Å; F21-F35 HydrophobicContact CD1-CE1 3.94Å; F21-F35 HydrophobicContact CE1-CD1 4.24Å; F21-S37 PolarHBondContact N-OG 3.09Å; F21-S37 PolarHBondContact O-N 3.14Å; F21-S37 PolarHBondContact O-OG 3.29Å; F21-Q69 HydrophobicContact CE1-CB 4.09Å; F21-Q69 HydrophobicContact CE2-CB 4.13Å; F21-Q69 WeakPolarHBondContact CE2-O 3.45Å; F21-Q69 HydrophobicContact CZ-CB 3.54Å; F21-A70 HydrophobicContact CB-CB 3.59Å; F21-A70 HydrophobicContact CD1-CB 3.77Å; F21-A70 HydrophobicContact CD2-CB 4.42Å; F21-A70 HydrophobicContact CG-CB 3.68Å
22I98Very high93.6Very high27 Ų2769.8 Ų69.814%0.13839%0.39CS..EExtended strand (participates in β ladder)trans-129.4128.5176-53.6174.7000108.3F8 T9 R20 V24 F35F8-I22 WeakPolarHBondContact CA-O 3.3Å; T9-I22 PolarHBondContact N-O 2.98Å; T9-I22 PolarHBondContact O-N 3.4Å; R20-I22 HydrophobicContact CG-CG1 4.17Å; I22-V24 HydrophobicContact CG2-CG2 4Å; I22-F35 WeakPolarHBondContact CA-O 3.25Å
23S98.3Very high93.8Very high0 Ų065.4 Ų65.40%036%0.36CS..EExtended strand (participates in β ladder)trans-113.7135.6169.3172.80000109.5F7 F8 R34 F35 Y66F7-S23 WeakPolarHBondContact O-CA 3.42Å; F8-S23 VanDerWaalsContact CE1-OG 3.27Å; F8-S23 WeakPolarHBondContact CE1-OG 3.36Å; S23-R34 CarbonylContact O-C 3.58Å; S23-R34 WeakPolarHBondContact O-CA 3.36Å; S23-F35 PolarHBondContact N-O 3.42Å; S23-F35 PolarHBondContact O-N 3.2Å; S23-Y66 WeakPolarHBondContact OG-CD1 3.44Å; S23-Y66 WeakPolarHBondContact OG-CE1 3.27Å
24V98.6Very high94.2Very high17 Ų1765 Ų6510%0.10336%0.358CS..EExtended strand (participates in β ladder)trans-134.1126.8175.7-172.50000110.1Y6 F7 I22 Y26 Q31Y6-V24 CarbonylContact C-O 3.56Å; Y6-V24 WeakPolarHBondContact CA-O 3.49Å; F7-V24 PolarHBondContact N-O 2.83Å; F7-V24 PolarHBondContact O-N 2.93Å; I22-V24 HydrophobicContact CG2-CG2 4Å; V24-Y26 HydrophobicContact CB-CE2 4.22Å; V24-Y26 HydrophobicContact CG1-CD2 3.99Å; V24-Y26 HydrophobicContact CG1-CE2 3.32Å; V24-Q31 HydrophobicContact CG1-CG 3.63Å
25G98.4Very high94.9Very high0 Ų059.3 Ų59.30%032%0.321CS..EExtended strand (participates in β ladder)trans-108.9137.8176.200000112.4K5 Q31 F32 V33K5-G25 CarbonylContact O-C 3.57Å; K5-G25 WeakPolarHBondContact O-CA 3.42Å; G25-Q31 WeakPolarHBondContact O-CA 3.36Å; G25-F32 VanDerWaalsContact C-CE1 3.45Å; G25-F32 WeakPolarHBondContact O-CD1 3.42Å; G25-F32 PolarHBondContact O-N 2.83Å; G25-V33 PolarHBondContact N-O 2.86Å; G25-V33 PolarHBondContact O-N 2.83Å
26Y98.6Very high95.5Very high70 Ų7056.1 Ų56.128%0.27528%0.283SS..EExtended strand (participates in β ladder)trans-123.2140.2175.7-69.6-96.9000110.9M4 K5 F7 V24 T30 Q31M4-Y26 WeakPolarHBondContact CA-O 3.32Å; M4-Y26 WeakPolarHBondContact CG-O 3.19Å; K5-Y26 PolarHBondContact N-O 2.77Å; K5-Y26 PolarHBondContact O-N 2.89Å; F7-Y26 AromaticContact CD2-CD2 3.91Å; F7-Y26 HydrophobicContact CD2-CD2 3.91Å; F7-Y26 HydrophobicContact CD2-CE2 4.09Å; F7-Y26 AromaticContact CE2-CD2 3.94Å; F7-Y26 HydrophobicContact CE2-CD2 3.94Å; F7-Y26 HydrophobicContact CE2-CE2 4.29Å; V24-Y26 HydrophobicContact CB-CE2 4.22Å; V24-Y26 HydrophobicContact CG1-CD2 3.99Å; V24-Y26 HydrophobicContact CG1-CE2 3.32Å; Y26-T30 VanDerWaalsContact CA-O 3.3Å; Y26-T30 WeakPolarHBondContact CA-O 3.36Å; Y26-Q31 HydrophobicContact CD1-CB 3.99Å; Y26-Q31 VanDerWaalsContact CD1-N 3.31Å; Y26-Q31 HydrophobicContact CE1-CB 3.58Å; Y26-Q31 HydrophobicContact CE1-CG 4.33Å
27V98.5Very high96.4Very high47 Ų4747.1 Ų47.129%0.28526%0.255SS..EExtended strand (participates in β ladder)trans-110.4122158.6175.60000106.6M4 D29 T30 F32 W50M4-V27 HydrophobicContact CG-CG2 4.36Å; V27-D29 PolarHBondContact O-N 2.69Å; V27-T30 PolarHBondContact N-O 2.99Å; V27-T30 PolarHBondContact O-N 2.91Å; V27-F32 HydrophobicContact CG2-CD1 3.86Å; V27-F32 HydrophobicContact CG2-CE1 3.91Å; V27-F32 HydrophobicContact CG2-CG 4.45Å; V27-W50 HydrophobicContact CB-CH2 4.38Å; V27-W50 HydrophobicContact CB-CZ2 4.3Å; V27-W50 HydrophobicContact CG2-CH2 3.85Å; V27-W50 HydrophobicContact CG2-CZ2 4.27Å
28D97.2Very high96.9Very high52 Ų5247.8 Ų47.828%0.27824%0.243SC..THydrogen-bonded Turntrans50.5-115.5-163.1-60.1-37.7000110.2H2 S3H2-D28 WeakPolarHBondContact CA-OD1 3.2Å; H2-D28 IonicContact CE1-OD2 2.69Å; H2-D28 IonicContact CG-OD2 2.83Å; H2-D28 IonicContact ND1-OD1 3.93Å; H2-D28 IonicContact ND1-OD2 3.66Å; H2-D28 PolarHBondContact ND1-OD2 2.85Å; S3-D28 PolarHBondContact N-OD1 3.19Å; S3-D28 PolarHBondContact O-N 2.78Å
29D96.9Very high97.3Very high147 Ų14741.7 Ų41.779%0.78622%0.221SC*.THydrogen-bonded Turntrans-106.710.3177.4-59.1-53.9000112.6V27V27-D29 PolarHBondContact O-N 2.69Å
30T98.3Very high97.4Very high76 Ų7644.5 Ų44.547%0.46625%0.249SC..EExtended strand (participates in β ladder)trans-100.9117.6-178.7-57.30000111Y26 V27 F32 A48Y26-T30 VanDerWaalsContact CA-O 3.3Å; Y26-T30 WeakPolarHBondContact CA-O 3.36Å; V27-T30 PolarHBondContact N-O 2.99Å; V27-T30 PolarHBondContact O-N 2.91Å; T30-F32 PolarHBondContact O-N 2.83Å; T30-A48 HydrophobicContact CG2-CB 4.34Å
31Q98.4Very high97.3Very high47 Ų4744.8 Ų44.822%0.2226%0.263CS..EExtended strand (participates in β ladder)trans-66.7127.3172.5-171.8-176.9-3.500109.6V24 G25 Y26 R47V24-Q31 HydrophobicContact CG1-CG 3.63Å; G25-Q31 WeakPolarHBondContact O-CA 3.36Å; Y26-Q31 HydrophobicContact CD1-CB 3.99Å; Y26-Q31 VanDerWaalsContact CD1-N 3.31Å; Y26-Q31 HydrophobicContact CE1-CB 3.58Å; Y26-Q31 HydrophobicContact CE1-CG 4.33Å; Q31-R47 HydrophobicContact CB-CB 4.46Å; Q31-R47 HydrophobicContact CG-CB 3.97Å; Q31-R47 HydrophobicContact CG-CG 4.13Å; Q31-R47 CarbonylContact O-C 3.55Å
32F98.3Very high97.3Very high8 Ų846.2 Ų46.24%0.03527%0.273CS..EExtended strand (participates in β ladder)trans-119.8-22.6-17979.1-84.3000114M4 Y6 G25 V27 T30 R47 A48 W50 V51M4-F32 HydrophobicContact SD-CZ 4.45Å; Y6-F32 HydrophobicContact CE1-CZ 4.35Å; Y6-F32 HydrophobicContact CE2-CZ 4.43Å; Y6-F32 AromaticContact CZ-CZ 3.8Å; Y6-F32 WeakPolarHBondContact OH-CZ 3.43Å; G25-F32 VanDerWaalsContact C-CE1 3.45Å; G25-F32 WeakPolarHBondContact O-CD1 3.42Å; G25-F32 PolarHBondContact O-N 2.83Å; V27-F32 HydrophobicContact CG2-CD1 3.86Å; V27-F32 HydrophobicContact CG2-CE1 3.91Å; V27-F32 HydrophobicContact CG2-CG 4.45Å; T30-F32 PolarHBondContact O-N 2.83Å; F32-R47 PolarHBondContact O-N 3.36Å; F32-A48 HydrophobicContact CB-CB 4.36Å; F32-W50 HydrophobicContact CB-CH2 3.17Å; F32-W50 HydrophobicContact CB-CZ2 3.2Å; F32-W50 HydrophobicContact CB-CZ3 4.1Å; F32-W50 HydrophobicContact CD1-CH2 4.13Å; F32-W50 AromaticContact CD2-CH2 3.57Å; F32-W50 HydrophobicContact CD2-CH2 3.57Å; F32-W50 HydrophobicContact CD2-CZ2 4.47Å; F32-W50 AromaticContact CD2-CZ3 3.98Å; F32-W50 HydrophobicContact CD2-CZ3 3.98Å; F32-W50 HydrophobicContact CE2-CH2 4.42Å; F32-W50 AromaticContact CG-CH2 3.38Å; F32-W50 HydrophobicContact CG-CH2 3.38Å; F32-W50 AromaticContact CG-CZ2 3.91Å; F32-W50 HydrophobicContact CG-CZ2 3.91Å; F32-W50 HydrophobicContact CG-CZ3 4.23Å; F32-V51 HydrophobicContact CD2-CB 4.48Å; F32-V51 HydrophobicContact CD2-CG2 4.08Å; F32-V51 WeakPolarHBondContact O-CG1 3.44Å
33V98.3Very high97.3Very high0 Ų051.9 Ų51.90%029%0.293CS..EExtended strand (participates in β ladder)trans-140.7147.3177.8640000111.5Y6 G25 E45 W59 Y66Y6-V33 HydrophobicContact CE1-CG1 3.93Å; G25-V33 PolarHBondContact N-O 2.86Å; G25-V33 PolarHBondContact O-N 2.83Å; V33-E45 WeakPolarHBondContact CA-O 3.39Å; V33-W59 HydrophobicContact CG2-CZ3 3.98Å; V33-Y66 HydrophobicContact CG2-CE2 4.2Å
34R98.3Very high97.2Very high67 Ų6752.1 Ų52.125%0.25330%0.295SS..EExtended strand (participates in β ladder)trans-138145170.2-174.7176.1172.385.64.5110.5S23 D36 E45 R47S23-R34 CarbonylContact O-C 3.58Å; S23-R34 WeakPolarHBondContact O-CA 3.36Å; R34-D36 IonicContact CZ-OD2 3.69Å; R34-D36 IonicContact NE-OD2 2.72Å; R34-D36 IonicContact NH2-OD2 3.87Å; R34-D36 PolarHBondContact NH2-OD2 3.47Å; R34-E45 PolarHBondContact N-O 2.86Å; R34-E45 PolarHBondContact O-N 3.36Å; R34-R47 HydrophobicContact CB-CG 3.89Å
35F98.4Very high97.2Very high3 Ų354.6 Ų54.61%0.01331%0.305CS..EExtended strand (participates in β ladder)trans-130.6142.1162.4174-86.7000109F21 I22 S23 P42 T63 Y66 K67F21-F35 AromaticContact CD1-CD1 3.9Å; F21-F35 HydrophobicContact CD1-CD1 3.9Å; F21-F35 AromaticContact CD1-CE1 3.94Å; F21-F35 HydrophobicContact CD1-CE1 3.94Å; F21-F35 HydrophobicContact CE1-CD1 4.24Å; I22-F35 WeakPolarHBondContact CA-O 3.25Å; S23-F35 PolarHBondContact N-O 3.42Å; S23-F35 PolarHBondContact O-N 3.2Å; F35-P42 HydrophobicContact CE2-CB 3.81Å; F35-P42 HydrophobicContact CZ-CB 3.75Å; F35-T63 HydrophobicContact CE2-CG2 4.48Å; F35-Y66 HydrophobicContact CB-CD1 4.47Å; F35-Y66 HydrophobicContact CB-CD2 3.47Å; F35-Y66 VanDerWaalsContact CB-CD2 3.47Å; F35-Y66 HydrophobicContact CB-CE2 4.12Å; F35-Y66 HydrophobicContact CB-CG 3.7Å; F35-Y66 HydrophobicContact CD1-CG 4.36Å; F35-Y66 AromaticContact CD2-CD2 3.86Å; F35-Y66 HydrophobicContact CD2-CD2 3.86Å; F35-Y66 HydrophobicContact CD2-CG 4.15Å; F35-Y66 VanDerWaalsContact CG-CB 3.47Å; F35-Y66 AromaticContact CG-CD2 3.81Å; F35-Y66 HydrophobicContact CG-CD2 3.81Å; F35-Y66 AromaticContact CG-CG 3.83Å; F35-Y66 HydrophobicContact CG-CG 3.83Å; F35-K67 HydrophobicContact CE2-CG 4.24Å; F35-K67 HydrophobicContact CZ-CG 4Å
36D97.8Very high97.1Very high23 Ų2357 Ų5712%0.12332%0.32CS..EExtended strand (participates in β ladder)trans-137.6116.1177.5-158-32.8000108.7R20 R34 D38 A39R20-D36 IonicContact CZ-OD1 3.12Å; R20-D36 IonicContact CZ-OD2 3.52Å; R20-D36 IonicContact NE-OD1 2.8Å; R20-D36 PolarHBondContact NE-OD1 3.06Å; R20-D36 IonicContact NE-OD2 2.86Å; R20-D36 IonicContact NH2-OD1 2.62Å; R20-D36 PolarHBondContact NH2-OD1 3.09Å; R20-D36 IonicContact NH2-OD2 3.36Å; R20-D36 PolarHBondContact NH2-OD2 3.2Å; R34-D36 IonicContact CZ-OD2 3.69Å; R34-D36 IonicContact NE-OD2 2.72Å; R34-D36 IonicContact NH2-OD2 3.87Å; R34-D36 PolarHBondContact NH2-OD2 3.47Å; D36-D38 PolarHBondContact O-N 2.96Å; D36-D38 PolarHBondContact OD1-N 3.36Å; D36-A39 HydrophobicContact CB-CB 4.47Å; D36-A39 WeakPolarHBondContact O-CB 3.46Å; D36-A39 PolarHBondContact O-N 2.81Å
37S95.8Very high97.1Very high33 Ų3360 Ų6023%0.23133%0.332CS..THydrogen-bonded Turntrans-65.4-19.7-178.1700000112.8R20 F21 P42R20-S37 WeakPolarHBondContact CA-OG 3.18Å; F21-S37 PolarHBondContact N-OG 3.09Å; F21-S37 PolarHBondContact O-N 3.14Å; F21-S37 PolarHBondContact O-OG 3.29Å; S37-P42 WeakPolarHBondContact O-CG 3.47Å
38D94.7Very high97.1Very high77 Ų7758.1 Ų58.141%0.41232%0.32SS..THydrogen-bonded Turntrans-86.6-6.5179.1-93.626.8000113.9R13 R20 D36R13-D38 IonicContact CZ-OD1 3.64Å; R13-D38 IonicContact CZ-OD2 3.59Å; R13-D38 IonicContact NH1-OD1 3.58Å; R13-D38 PolarHBondContact NH1-OD1 2.8Å; R13-D38 IonicContact NH1-OD2 2.79Å; R13-D38 PolarHBondContact NH1-OD2 3.49Å; R13-D38 IonicContact NH2-OD1 3.79Å; R13-D38 IonicContact NH2-OD2 3.76Å; R13-D38 PolarHBondContact NH2-OD2 2.86Å; R20-D38 WeakPolarHBondContact CD-OD2 3.05Å; R20-D38 HydrophobicContact CG-CB 4.2Å; R20-D38 IonicContact NE-OD2 2.78Å; D36-D38 PolarHBondContact O-N 2.96Å; D36-D38 PolarHBondContact OD1-N 3.36Å
39A95.2Very high97.1Very high37 Ų3760.7 Ų60.731%0.30634%0.34SS..SBendtrans-62.914917700000110.4D36 S41 P42D36-A39 HydrophobicContact CB-CB 4.47Å; D36-A39 WeakPolarHBondContact O-CB 3.46Å; D36-A39 PolarHBondContact O-N 2.81Å; A39-S41 PolarHBondContact O-N 2.89Å; A39-P42 WeakPolarHBondContact O-CD 3.35Å; A39-P42 VanDerWaalsContact O-CG 3.27Å; A39-P42 WeakPolarHBondContact O-CG 3.46Å
40A94.7Very high97.1Very high120 Ų12059.2 Ų59.299%0.99232%0.323SS*.SBendtrans-58-27178.700000113.2
41S94.9Very high97Very high81 Ų8155.7 Ų55.757%0.56630%0.302SS*.SBendtrans-135.390.6169.9-175.20000108.6A39 R43A39-S41 PolarHBondContact O-N 2.89Å; S41-R43 PolarHBondContact O-N 3.38Å; S41-R43 VanDerWaalsContact O-N 3.08Å
42P95.8Very high96.9Very high38 Ų3859.6 Ų59.625%0.24732%0.32CS..  trans-64.8110.7-176-23.334.9000111.7F35 S37 A39 K67F35-P42 HydrophobicContact CE2-CB 3.81Å; F35-P42 HydrophobicContact CZ-CB 3.75Å; S37-P42 WeakPolarHBondContact O-CG 3.47Å; A39-P42 WeakPolarHBondContact O-CD 3.35Å; A39-P42 VanDerWaalsContact O-CG 3.27Å; A39-P42 WeakPolarHBondContact O-CG 3.46Å; P42-K67 WeakPolarHBondContact O-CE 3.21Å
43R97.2Very high96.8Very high147 Ų14766.7 Ų66.756%0.55535%0.354SS*.  trans-147.2160.4177.365.3-179.3178.6158.70.6111.3S41 E45 T63S41-R43 PolarHBondContact O-N 3.38Å; S41-R43 VanDerWaalsContact O-N 3.08Å; R43-E45 HydrophobicContact CG-CG 4.32Å; R43-T63 HydrophobicContact CB-CG2 4.18Å
44G97.4Very high96.8Very high4 Ų470.4 Ų70.44%0.04137%0.371CS..  trans-65.4131.1168.200000109.8T63G44-T63 PolarHBondContact N-OG1 2.95Å
45E97.3Very high96.7Very high69 Ų6968.6 Ų68.632%0.32237%0.373SS..EExtended strand (participates in β ladder)trans-118.6134.3-179.3-64.6-174.1159.500111V33 R34 R43V33-E45 WeakPolarHBondContact CA-O 3.39Å; R34-E45 PolarHBondContact N-O 2.86Å; R34-E45 PolarHBondContact O-N 3.36Å; R43-E45 HydrophobicContact CG-CG 4.32Å
46P97.8Very high96.6Very high50 Ų5072.7 Ų72.733%0.32540%0.4SS..EExtended strand (participates in β ladder)trans-66138.5171.827.4-32.8000110.6V51 E52 W59P46-V51 HydrophobicContact CB-CG1 3.4Å; P46-E52 HydrophobicContact CB-CG 3.87Å; P46-E52 HydrophobicContact CG-CG 4.05Å; P46-W59 HydrophobicContact CB-CH2 3.7Å; P46-W59 HydrophobicContact CB-CZ2 3.7Å; P46-W59 HydrophobicContact CG-CH2 4.25Å; P46-W59 HydrophobicContact CG-CZ2 4.08Å
47R98.2Very high96.6Very high135 Ų13578.4 Ų78.451%0.50943%0.426SS..  trans-121.2-1.4177.9-57.2-60.5-60173.92.8113.3Q31 F32 R34Q31-R47 HydrophobicContact CB-CB 4.46Å; Q31-R47 HydrophobicContact CG-CB 3.97Å; Q31-R47 HydrophobicContact CG-CG 4.13Å; Q31-R47 CarbonylContact O-C 3.55Å; F32-R47 PolarHBondContact O-N 3.36Å; R34-R47 HydrophobicContact CB-CG 3.89Å
48A97.6Very high96.6Very high6 Ų678.7 Ų78.75%0.0542%0.422CS..SBendtrans-140.1145.217400000110.5T30 F32 W50 V51T30-A48 HydrophobicContact CG2-CB 4.34Å; F32-A48 HydrophobicContact CB-CB 4.36Å; A48-W50 HydrophobicContact CB-CD2 4.33Å; A48-W50 HydrophobicContact CB-CG 4.36Å; A48-W50 HydrophobicContact CB-CZ2 4.28Å; A48-W50 VanDerWaalsContact CB-NE1 3.3Å; A48-W50 PolarHBondContact O-N 3.33Å; A48-W50 VanDerWaalsContact O-N 3.14Å; A48-V51 WeakPolarHBondContact O-CG1 3.33Å; A48-V51 PolarHBondContact O-N 3.11Å; A48-V51 VanDerWaalsContact O-N 3.09Å
49P97.6Very high96.8Very high106 Ų10676.8 Ų76.869%0.68841%0.409SS*.G310 helixtrans-58.3-33-173.7-27.134.9000114.4V51 E52P49-V51 PolarHBondContact O-N 2.62Å; P49-E52 WeakPolarHBondContact O-CB 3.43Å; P49-E52 PolarHBondContact O-N 3.38Å
50W96.4Very high96.9Very high116 Ų11680.2 Ų80.244%0.43942%0.422SS..G310 helixtrans-70.6-16.7-177.856-103.1000113.8V27 F32 A48 Q53V27-W50 HydrophobicContact CB-CH2 4.38Å; V27-W50 HydrophobicContact CB-CZ2 4.3Å; V27-W50 HydrophobicContact CG2-CH2 3.85Å; V27-W50 HydrophobicContact CG2-CZ2 4.27Å; F32-W50 HydrophobicContact CB-CH2 3.17Å; F32-W50 HydrophobicContact CB-CZ2 3.2Å; F32-W50 HydrophobicContact CB-CZ3 4.1Å; F32-W50 HydrophobicContact CD1-CH2 4.13Å; F32-W50 AromaticContact CD2-CH2 3.57Å; F32-W50 HydrophobicContact CD2-CH2 3.57Å; F32-W50 HydrophobicContact CD2-CZ2 4.47Å; F32-W50 AromaticContact CD2-CZ3 3.98Å; F32-W50 HydrophobicContact CD2-CZ3 3.98Å; F32-W50 HydrophobicContact CE2-CH2 4.42Å; F32-W50 AromaticContact CG-CH2 3.38Å; F32-W50 HydrophobicContact CG-CH2 3.38Å; F32-W50 AromaticContact CG-CZ2 3.91Å; F32-W50 HydrophobicContact CG-CZ2 3.91Å; F32-W50 HydrophobicContact CG-CZ3 4.23Å; A48-W50 HydrophobicContact CB-CD2 4.33Å; A48-W50 HydrophobicContact CB-CG 4.36Å; A48-W50 HydrophobicContact CB-CZ2 4.28Å; A48-W50 VanDerWaalsContact CB-NE1 3.3Å; A48-W50 PolarHBondContact O-N 3.33Å; A48-W50 VanDerWaalsContact O-N 3.14Å; W50-Q53 VanDerWaalsContact O-CD 3.27Å; W50-Q53 VanDerWaalsContact O-CG 3.25Å; W50-Q53 WeakPolarHBondContact O-CG 3.44Å; W50-Q53 PolarHBondContact O-OE1 2.72Å
51V97.5Very high97Very high2 Ų281.1 Ų81.11%0.01240%0.4CS..G310 helixtrans-91-13.6175.471.20000111.8F32 P46 A48 P49 Q53 E54 W59F32-V51 HydrophobicContact CD2-CB 4.48Å; F32-V51 HydrophobicContact CD2-CG2 4.08Å; F32-V51 WeakPolarHBondContact O-CG1 3.44Å; P46-V51 HydrophobicContact CB-CG1 3.4Å; A48-V51 WeakPolarHBondContact O-CG1 3.33Å; A48-V51 PolarHBondContact O-N 3.11Å; A48-V51 VanDerWaalsContact O-N 3.09Å; P49-V51 PolarHBondContact O-N 2.62Å; V51-Q53 PolarHBondContact O-N 2.8Å; V51-E54 HydrophobicContact CG2-CG 4Å; V51-E54 WeakPolarHBondContact O-CB 3.49Å; V51-E54 WeakPolarHBondContact O-CG 3.09Å; V51-E54 PolarHBondContact O-N 2.79Å; V51-E54 VanDerWaalsContact O-N 3.09Å; V51-W59 HydrophobicContact CG1-CH2 4.23Å; V51-W59 HydrophobicContact CG1-CZ2 4.37Å; V51-W59 HydrophobicContact CG2-CH2 3.82Å; V51-W59 HydrophobicContact CG2-CZ2 3.87Å; V51-W59 WeakPolarHBondContact O-CZ2 3.44Å
52E95.4Very high97.1Very high129 Ų12977.8 Ų77.860%0.60338%0.376SS*.THydrogen-bonded Turntrans-66-19.1177.4-63.4179.1-167.900112.6P46 P49 E54P46-E52 HydrophobicContact CB-CG 3.87Å; P46-E52 HydrophobicContact CG-CG 4.05Å; P49-E52 WeakPolarHBondContact O-CB 3.43Å; P49-E52 PolarHBondContact O-N 3.38Å; E52-E54 PolarHBondContact O-N 3.21Å
53Q96.8Very high97.2Very high158 Ų15876.6 Ų76.674%0.73837%0.368SS*.THydrogen-bonded Turntrans-69.5-16174.475.4-173.436.100113.4W50 V51W50-Q53 VanDerWaalsContact O-CD 3.27Å; W50-Q53 VanDerWaalsContact O-CG 3.25Å; W50-Q53 WeakPolarHBondContact O-CG 3.44Å; W50-Q53 PolarHBondContact O-OE1 2.72Å; V51-Q53 PolarHBondContact O-N 2.8Å
54E97.6Very high97.2Very high78 Ų7874.4 Ų74.436%0.36436%0.364SS..SBendtrans-68134.5178-67.7-62.7152.300110.9V51 E52 Y58 W59V51-E54 HydrophobicContact CG2-CG 4Å; V51-E54 WeakPolarHBondContact O-CB 3.49Å; V51-E54 WeakPolarHBondContact O-CG 3.09Å; V51-E54 PolarHBondContact O-N 2.79Å; V51-E54 VanDerWaalsContact O-N 3.09Å; E52-E54 PolarHBondContact O-N 3.21Å; E54-Y58 HydrophobicContact CB-CD1 3.58Å; E54-Y58 HydrophobicContact CB-CE1 4.19Å; E54-Y58 HydrophobicContact CB-CG 3.82Å; E54-Y58 HydrophobicContact CG-CD1 3.9Å; E54-Y58 HydrophobicContact CG-CD2 4.37Å; E54-Y58 HydrophobicContact CG-CE1 4.09Å; E54-Y58 HydrophobicContact CG-CG 4.06Å; E54-W59 HydrophobicContact CB-CZ2 4.39Å; E54-W59 PolarHBondContact O-NE1 3.47Å
55G96.5Very high97.2Very high29 Ų2978 Ų7830%0.29938%0.378SS..  trans-73.9169-176.100000114.2E57 Y58 W59G55-E57 PolarHBondContact O-N 3.18Å; G55-Y58 WeakPolarHBondContact O-CB 3.44Å; G55-Y58 PolarHBondContact O-N 2.95Å; G55-Y58 VanDerWaalsContact O-N 3.07Å; G55-W59 VanDerWaalsContact O-CD1 3.23Å; G55-W59 PolarHBondContact O-N 3.35Å
56P96.2Very high97.2Very high88 Ų8874.9 Ų74.957%0.57136%0.364SS*.Hα-helixtrans-53.3-37.1178.3-25.334.8000113.5Y58 W59 D60P56-Y58 VanDerWaalsContact C-N 3.28Å; P56-Y58 PolarHBondContact O-N 2.89Å; P56-W59 PolarHBondContact O-N 3.27Å; P56-W59 VanDerWaalsContact O-N 3.15Å; P56-D60 WeakPolarHBondContact O-CB 3.44Å; P56-D60 PolarHBondContact O-N 3.08Å
57E97.6Very high97.1Very high144 Ų14476.4 Ų76.467%0.67337%0.365SS*.Hα-helixtrans-64-34.5-179.1-59.778.1-171.900112.3G55 R61G55-E57 PolarHBondContact O-N 3.18Å; E57-R61 VanDerWaalsContact O-CB 3.28Å; E57-R61 WeakPolarHBondContact O-CB 3.39Å; E57-R61 PolarHBondContact O-N 3.06Å; E57-R61 VanDerWaalsContact O-N 3.12Å
58Y96.8Very high96.9Very high38 Ų3877.9 Ų77.915%0.14937%0.371CS..Hα-helixtrans-65.3-50173.7173-89.9000110.2E54 G55 P56 D60 R61 E62E54-Y58 HydrophobicContact CB-CD1 3.58Å; E54-Y58 HydrophobicContact CB-CE1 4.19Å; E54-Y58 HydrophobicContact CB-CG 3.82Å; E54-Y58 HydrophobicContact CG-CD1 3.9Å; E54-Y58 HydrophobicContact CG-CD2 4.37Å; E54-Y58 HydrophobicContact CG-CE1 4.09Å; E54-Y58 HydrophobicContact CG-CG 4.06Å; G55-Y58 WeakPolarHBondContact O-CB 3.44Å; G55-Y58 PolarHBondContact O-N 2.95Å; G55-Y58 VanDerWaalsContact O-N 3.07Å; P56-Y58 VanDerWaalsContact C-N 3.28Å; P56-Y58 PolarHBondContact O-N 2.89Å; Y58-D60 PolarHBondContact O-N 3.49Å; Y58-R61 PolarHBondContact O-N 3.15Å; Y58-E62 HydrophobicContact CD1-CG 4.18Å; Y58-E62 HydrophobicContact CD2-CG 4.42Å; Y58-E62 HydrophobicContact CE1-CG 3.72Å; Y58-E62 HydrophobicContact CE2-CG 3.97Å; Y58-E62 WeakPolarHBondContact O-CG 3.38Å; Y58-E62 PolarHBondContact O-N 3.18Å
59W97.4Very high96.7Very high38 Ų3881.8 Ų81.814%0.14439%0.388CS..Hα-helixtrans-65.3-38.2-177.7-68.4112.5000112.9V33 P46 V51 E54 G55 P56 T63V33-W59 HydrophobicContact CG2-CZ3 3.98Å; P46-W59 HydrophobicContact CB-CH2 3.7Å; P46-W59 HydrophobicContact CB-CZ2 3.7Å; P46-W59 HydrophobicContact CG-CH2 4.25Å; P46-W59 HydrophobicContact CG-CZ2 4.08Å; V51-W59 HydrophobicContact CG1-CH2 4.23Å; V51-W59 HydrophobicContact CG1-CZ2 4.37Å; V51-W59 HydrophobicContact CG2-CH2 3.82Å; V51-W59 HydrophobicContact CG2-CZ2 3.87Å; V51-W59 WeakPolarHBondContact O-CZ2 3.44Å; E54-W59 HydrophobicContact CB-CZ2 4.39Å; E54-W59 PolarHBondContact O-NE1 3.47Å; G55-W59 VanDerWaalsContact O-CD1 3.23Å; G55-W59 PolarHBondContact O-N 3.35Å; P56-W59 PolarHBondContact O-N 3.27Å; P56-W59 VanDerWaalsContact O-N 3.15Å; W59-T63 WeakPolarHBondContact O-CB 3.4Å; W59-T63 PolarHBondContact O-N 3.15Å; W59-T63 PolarHBondContact O-OG1 3.21Å
60D97.7Very high96.2Very high108 Ų10878.2 Ų78.258%0.57837%0.367SS*.Hα-helixtrans-63.1-48174.3-75.6-17.7000110.4P56 Y58 E62 T63 Q64P56-D60 WeakPolarHBondContact O-CB 3.44Å; P56-D60 PolarHBondContact O-N 3.08Å; Y58-D60 PolarHBondContact O-N 3.49Å; D60-E62 PolarHBondContact O-N 3.31Å; D60-T63 PolarHBondContact O-N 3.11Å; D60-Q64 VanDerWaalsContact O-CG 3.32Å; D60-Q64 WeakPolarHBondContact O-CG 3.41Å; D60-Q64 PolarHBondContact O-N 3.04Å
61R97.8Very high95.3Very high139 Ų13981.3 Ų81.353%0.52539%0.392SS..Hα-helixtrans-61.8-46.3178.5-176.3-179.667.2-169.8-3112.2E57 Y58 Q64 K65E57-R61 VanDerWaalsContact O-CB 3.28Å; E57-R61 WeakPolarHBondContact O-CB 3.39Å; E57-R61 PolarHBondContact O-N 3.06Å; E57-R61 VanDerWaalsContact O-N 3.12Å; Y58-R61 PolarHBondContact O-N 3.15Å; R61-Q64 PolarHBondContact O-N 3.09Å; R61-K65 WeakPolarHBondContact O-CG 3.36Å; R61-K65 PolarHBondContact O-N 3.36Å
62E97.3Very high95.2Very high12 Ų1285.3 Ų85.36%0.05641%0.411CS..Hα-helixtrans-64.8-42.5178.4-73.1-58.1113.800111.3Y58 D60 Q64 K65 Y66Y58-E62 HydrophobicContact CD1-CG 4.18Å; Y58-E62 HydrophobicContact CD2-CG 4.42Å; Y58-E62 HydrophobicContact CE1-CG 3.72Å; Y58-E62 HydrophobicContact CE2-CG 3.97Å; Y58-E62 WeakPolarHBondContact O-CG 3.38Å; Y58-E62 PolarHBondContact O-N 3.18Å; D60-E62 PolarHBondContact O-N 3.31Å; E62-Q64 VanDerWaalsContact C-N 3.34Å; E62-Q64 PolarHBondContact O-N 2.98Å; E62-K65 WeakPolarHBondContact O-CB 3.38Å; E62-K65 PolarHBondContact O-N 3.09Å; E62-K65 VanDerWaalsContact O-N 3.11Å; E62-K65 WeakPolarHBondContact OE1-CD 3.37Å; E62-K65 IonicContact OE1-NZ 3.8Å; E62-K65 PolarHBondContact OE1-NZ 2.99Å; E62-Y66 HydrophobicContact CB-CE2 3.86Å; E62-Y66 WeakPolarHBondContact O-CD2 3.27Å; E62-Y66 PolarHBondContact O-N 3.46Å; E62-Y66 PolarHBondContact OE2-OH 2.98Å
63T97.6Very high95.2Very high13 Ų1382.9 Ų82.98%0.0840%0.401CS..Hα-helixtrans-57.7-45.3175.2-62.80000111.9F35 R43 G44 W59 D60 K65 Y66 K67F35-T63 HydrophobicContact CE2-CG2 4.48Å; R43-T63 HydrophobicContact CB-CG2 4.18Å; G44-T63 PolarHBondContact N-OG1 2.95Å; W59-T63 WeakPolarHBondContact O-CB 3.4Å; W59-T63 PolarHBondContact O-N 3.15Å; W59-T63 PolarHBondContact O-OG1 3.21Å; D60-T63 PolarHBondContact O-N 3.11Å; T63-K65 VanDerWaalsContact C-N 3.32Å; T63-K65 PolarHBondContact O-N 3.16Å; T63-Y66 PolarHBondContact O-N 3.06Å; T63-K67 HydrophobicContact CG2-CD 4.18Å; T63-K67 WeakPolarHBondContact O-CG 3.28Å; T63-K67 PolarHBondContact O-N 3.41Å
64Q97.5Very high95.1Very high101 Ų10178.8 Ų78.847%0.47238%0.382SS..Hα-helixtrans-66-33.8177.1-66.3-56.7-33.900112.7D60 R61 E62 R68D60-Q64 VanDerWaalsContact O-CG 3.32Å; D60-Q64 WeakPolarHBondContact O-CG 3.41Å; D60-Q64 PolarHBondContact O-N 3.04Å; R61-Q64 PolarHBondContact O-N 3.09Å; E62-Q64 VanDerWaalsContact C-N 3.34Å; E62-Q64 PolarHBondContact O-N 2.98Å; Q64-R68 WeakPolarHBondContact O-CG 3.32Å; Q64-R68 PolarHBondContact O-N 2.72Å; Q64-R68 VanDerWaalsContact O-N 3.16Å
65K96.8Very high94.9Very high79 Ų7978.8 Ų78.834%0.34338%0.383SS..Hα-helixtrans-65-46.2173.1-71.9174.2-174.7170.80111.6R61 E62 T63 R68 Q69R61-K65 WeakPolarHBondContact O-CG 3.36Å; R61-K65 PolarHBondContact O-N 3.36Å; E62-K65 WeakPolarHBondContact O-CB 3.38Å; E62-K65 PolarHBondContact O-N 3.09Å; E62-K65 VanDerWaalsContact O-N 3.11Å; E62-K65 WeakPolarHBondContact OE1-CD 3.37Å; E62-K65 IonicContact OE1-NZ 3.8Å; E62-K65 PolarHBondContact OE1-NZ 2.99Å; T63-K65 VanDerWaalsContact C-N 3.32Å; T63-K65 PolarHBondContact O-N 3.16Å; K65-R68 PolarHBondContact O-N 3.36Å; K65-Q69 WeakPolarHBondContact O-CG 3.19Å; K65-Q69 PolarHBondContact O-N 2.89Å
66Y97.3Very high94.8Very high4 Ų481.9 Ų81.92%0.01639%0.389CS..Hα-helixtrans-65.5-39.2179.6-59.2-45.9000112.2S23 V33 F35 E62 T63 Q69 A70S23-Y66 WeakPolarHBondContact OG-CD1 3.44Å; S23-Y66 WeakPolarHBondContact OG-CE1 3.27Å; V33-Y66 HydrophobicContact CG2-CE2 4.2Å; F35-Y66 HydrophobicContact CB-CD1 4.47Å; F35-Y66 HydrophobicContact CB-CD2 3.47Å; F35-Y66 VanDerWaalsContact CB-CD2 3.47Å; F35-Y66 HydrophobicContact CB-CE2 4.12Å; F35-Y66 HydrophobicContact CB-CG 3.7Å; F35-Y66 HydrophobicContact CD1-CG 4.36Å; F35-Y66 AromaticContact CD2-CD2 3.86Å; F35-Y66 HydrophobicContact CD2-CD2 3.86Å; F35-Y66 HydrophobicContact CD2-CG 4.15Å; F35-Y66 VanDerWaalsContact CG-CB 3.47Å; F35-Y66 AromaticContact CG-CD2 3.81Å; F35-Y66 HydrophobicContact CG-CD2 3.81Å; F35-Y66 AromaticContact CG-CG 3.83Å; F35-Y66 HydrophobicContact CG-CG 3.83Å; E62-Y66 HydrophobicContact CB-CE2 3.86Å; E62-Y66 WeakPolarHBondContact O-CD2 3.27Å; E62-Y66 PolarHBondContact O-N 3.46Å; E62-Y66 PolarHBondContact OE2-OH 2.98Å; T63-Y66 PolarHBondContact O-N 3.06Å; Y66-Q69 PolarHBondContact O-N 3.12Å; Y66-Q69 VanDerWaalsContact O-N 3.11Å; Y66-A70 PolarHBondContact O-N 3.34Å; Y66-A70 VanDerWaalsContact O-N 3.09Å
67K94.7Very high94.7Very high82 Ų8281.5 Ų81.536%0.35738%0.377SS..Hα-helixtrans-59.1-47.3174.3-73.8178.7176-177.40111.9F35 P42 T63 Q69 A70 D71F35-K67 HydrophobicContact CE2-CG 4.24Å; F35-K67 HydrophobicContact CZ-CG 4Å; P42-K67 WeakPolarHBondContact O-CE 3.21Å; T63-K67 HydrophobicContact CG2-CD 4.18Å; T63-K67 WeakPolarHBondContact O-CG 3.28Å; T63-K67 PolarHBondContact O-N 3.41Å; K67-Q69 PolarHBondContact O-N 2.84Å; K67-Q69 VanDerWaalsContact O-N 3.15Å; K67-A70 WeakPolarHBondContact O-CB 3.42Å; K67-A70 PolarHBondContact O-N 3.07Å; K67-D71 PolarHBondContact O-N 3.07Å
68R95.1Very high94.5Very high166 Ų16677.1 Ų77.163%0.62636%0.355SS*.Hα-helixtrans-63.2-19.2175.2-74.1-172.2-64.4-140.4-2.2115Q64 K65Q64-R68 WeakPolarHBondContact O-CG 3.32Å; Q64-R68 PolarHBondContact O-N 2.72Å; Q64-R68 VanDerWaalsContact O-N 3.16Å; K65-R68 PolarHBondContact O-N 3.36Å
69Q92.7Very high94.4Very high87 Ų8780.1 Ų80.141%0.40737%0.371SS..Hα-helixtrans-90.2-16.7174.6-71175.3-18.300112.6F21 K65 Y66 K67F21-Q69 HydrophobicContact CE1-CB 4.09Å; F21-Q69 HydrophobicContact CE2-CB 4.13Å; F21-Q69 WeakPolarHBondContact CE2-O 3.45Å; F21-Q69 HydrophobicContact CZ-CB 3.54Å; K65-Q69 WeakPolarHBondContact O-CG 3.19Å; K65-Q69 PolarHBondContact O-N 2.89Å; Y66-Q69 PolarHBondContact O-N 3.12Å; Y66-Q69 VanDerWaalsContact O-N 3.11Å; K67-Q69 PolarHBondContact O-N 2.84Å; K67-Q69 VanDerWaalsContact O-N 3.15Å
70A88.1Confident94.1Very high31 Ų3183.6 Ų83.626%0.25639%0.39SS..Hα-helixtrans-82.2-27.4176.700000112.2F21 Y66 K67F21-A70 HydrophobicContact CB-CB 3.59Å; F21-A70 HydrophobicContact CD1-CB 3.77Å; F21-A70 HydrophobicContact CD2-CB 4.42Å; F21-A70 HydrophobicContact CG-CB 3.68Å; Y66-A70 PolarHBondContact O-N 3.34Å; Y66-A70 VanDerWaalsContact O-N 3.09Å; K67-A70 WeakPolarHBondContact O-CB 3.42Å; K67-A70 PolarHBondContact O-N 3.07Å
71D76.9Confident93.8Very high181 Ų18181.4 Ų81.497%0.96837%0.373SS*.  trans-73.40173.3-56.9-28000112.3K67K67-D71 PolarHBondContact O-N 3.07Å

Retrieved 71 of 71 residues in 65 ms (Link to these results)

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