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Probable non-functional T cell receptor beta variable 17

Probable non-functional open reading frame (ORF) of V region of the variable domain of T cell receptor (TR) beta chain1. Non-functional ORF generally cannot participate in the synthesis of a productive T cell receptor (TR) chain due to altered V-(D)-J or switch recombination and/or splicing site (at mRNA level) and/or conserved amino acid change (protein level)2. Alpha-beta T cell receptors are antigen specific receptors which are essential to the immune response and are present on the cell surface of T lymphocytes. Recognize peptide-major histocompatibility (MH) (pMH) complexes that are displayed by antigen presenting cells (APC), a prerequisite for efficient T cell adaptive immunity against pathogens3. Binding of alpha-beta TR to pMH complex initiates TR-CD3 clustering on the cell surface and intracellular activation of LCK that phosphorylates the ITAM motifs of CD3G, CD3D, CD3E and CD247 enabling the recruitment of ZAP70. In turn ZAP70 phosphorylates LAT, which recruits numerous signaling molecules to form the LAT signalosome. The LAT signalosome propagates signal branching to three major signaling pathways, the calcium, the mitogen-activated protein kinase (MAPK) kinase and the nuclear factor NF-kappa-B (NF-kB) pathways, leading to the mobilization of transcription factors that are critical for gene expression and essential for T cell growth and differentiation4. The T cell repertoire is generated in the thymus, by V-(D)-J rearrangement. This repertoire is then shaped by intrathymic selection events to generate a peripheral T cell pool of self-MH restricted, non-autoaggressive T cells. Post-thymic interaction of alpha-beta TR with the pMH complexes shapes TR structural and functional avidity5.

AlphaFold DB , UniProt , Accession A0A087X0K7, Species HUMAN (Homo sapiens, Human), Gene TRBV17, Length 114 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
1M56.4Low74.2Confident221 Ų221120.1 Ų120.1100%1.08961%0.606SS**  099.90-79.9172.164.800106.7I3M1-I3 PolarHBondContact O-N 3.23Å
2D72.3Confident74.3Confident109 Ų109117.7 Ų117.758%0.58361%0.607SS**  trans-72.7110.6-166.3-64.3-64.8000112.1W4 L5 L6D2-W4 PolarHBondContact O-N 3.24Å; D2-L5 HydrophobicContact CB-CB 4.44Å; D2-L5 HydrophobicContact CB-CD1 3.93Å; D2-L5 HydrophobicContact CB-CG 4Å; D2-L5 WeakPolarHBondContact O-CB 3.26Å; D2-L5 PolarHBondContact O-N 2.63Å; D2-L6 PolarHBondContact O-N 3.31Å
3I77.1Confident74Confident143 Ų143118.4 Ų118.473%0.73361%0.611SS**Hα-helixtrans-50.3-28.9171.9-78.4158.1000111.9M1 L6 C7M1-I3 PolarHBondContact O-N 3.23Å; I3-L6 PolarHBondContact O-N 3.07Å; I3-C7 PolarHBondContact O-N 2.86Å; I3-C7 VanDerWaalsContact O-N 3.08Å
4W78.1Confident73.6Confident164 Ų164120.3 Ų120.362%0.62162%0.622SS**Hα-helixtrans-67-40.6177.3-168.241.4000113.3D2 L6 C7 W8D2-W4 PolarHBondContact O-N 3.24Å; W4-L6 VanDerWaalsContact C-N 3.33Å; W4-L6 PolarHBondContact O-N 2.91Å; W4-C7 PolarHBondContact O-N 2.88Å; W4-W8 HydrophobicContact CD2-CH2 4.26Å; W4-W8 HydrophobicContact CD2-CZ2 4.37Å; W4-W8 HydrophobicContact CD2-CZ3 4.31Å; W4-W8 AromaticContact CE2-CE2 3.74Å; W4-W8 AromaticContact CE2-CH2 3.63Å; W4-W8 AromaticContact CE2-CZ2 3.42Å; W4-W8 VanDerWaalsContact CE2-CZ2 3.42Å; W4-W8 HydrophobicContact CE3-CH2 4.32Å; W4-W8 HydrophobicContact CE3-CZ3 4.23Å; W4-W8 AromaticContact CH2-CH2 3.21Å; W4-W8 HydrophobicContact CH2-CH2 3.21Å; W4-W8 AromaticContact CH2-CZ2 3.74Å; W4-W8 HydrophobicContact CH2-CZ2 3.74Å; W4-W8 AromaticContact CH2-CZ3 3.87Å; W4-W8 HydrophobicContact CH2-CZ3 3.87Å; W4-W8 AromaticContact CZ2-CE2 3.89Å; W4-W8 AromaticContact CZ2-CH2 3.11Å; W4-W8 HydrophobicContact CZ2-CH2 3.11Å; W4-W8 AromaticContact CZ2-CZ2 3.08Å; W4-W8 HydrophobicContact CZ2-CZ2 3.08Å; W4-W8 AromaticContact CZ2-CZ3 3.94Å; W4-W8 HydrophobicContact CZ2-CZ3 3.94Å; W4-W8 AromaticContact CZ3-CH2 3.83Å; W4-W8 HydrophobicContact CZ3-CH2 3.83Å; W4-W8 AromaticContact CZ3-CZ3 4Å; W4-W8 HydrophobicContact CZ3-CZ3 4Å; W4-W8 AromaticContact NE1-CE2 3.62Å; W4-W8 AromaticContact NE1-CZ2 3.74Å; W4-W8 AromaticContact NE1-NE1 3.8Å; W4-W8 PolarHBondContact O-N 3Å; W4-W8 VanDerWaalsContact O-N 3.09Å
5L75.6Confident73.1Confident96 Ų96117.8 Ų117.850%0.50363%0.626SS.*Hα-helixtrans-64.6-41.2176-68.8171.2000110.8D2 C7 W8 V9D2-L5 HydrophobicContact CB-CB 4.44Å; D2-L5 HydrophobicContact CB-CD1 3.93Å; D2-L5 HydrophobicContact CB-CG 4Å; D2-L5 WeakPolarHBondContact O-CB 3.26Å; D2-L5 PolarHBondContact O-N 2.63Å; L5-C7 VanDerWaalsContact C-N 3.32Å; L5-C7 PolarHBondContact O-N 3.17Å; L5-W8 PolarHBondContact O-N 2.86Å; L5-V9 VanDerWaalsContact O-CG2 3.29Å; L5-V9 WeakPolarHBondContact O-CG2 3.49Å; L5-V9 PolarHBondContact O-N 3.08Å
6L74.8Confident72.4Confident110 Ų110114.4 Ų114.458%0.57662%0.62SS**Hα-helixtrans-61.2-41.8176.3-71.6166.3000111.4D2 I3 W4 V9 T10D2-L6 PolarHBondContact O-N 3.31Å; I3-L6 PolarHBondContact O-N 3.07Å; W4-L6 VanDerWaalsContact C-N 3.33Å; W4-L6 PolarHBondContact O-N 2.91Å; L6-V9 PolarHBondContact O-N 2.91Å; L6-T10 WeakPolarHBondContact O-CG2 3.42Å; L6-T10 PolarHBondContact O-N 2.69Å; L6-T10 PolarHBondContact O-OG1 3.36Å
7C78.9Confident71.5Confident71 Ų71111.4 Ų111.448%0.4862%0.621SS.*Hα-helixtrans-66.3-38.2179.3-165.10000112.9I3 W4 L5 T10 L11I3-C7 PolarHBondContact O-N 2.86Å; I3-C7 VanDerWaalsContact O-N 3.08Å; W4-C7 PolarHBondContact O-N 2.88Å; L5-C7 VanDerWaalsContact C-N 3.32Å; L5-C7 PolarHBondContact O-N 3.17Å; C7-T10 WeakPolarHBondContact CA-OG1 2.91Å; C7-T10 PolarHBondContact O-OG1 3.32Å; C7-L11 WeakPolarHBondContact O-CB 3.38Å; C7-L11 PolarHBondContact O-N 3.14Å
8W76.9Confident70.6Confident130 Ų130114.3 Ų114.349%0.49263%0.629SS.*Hα-helixtrans-69.8-41.4175-80.9-16.7000112.9W4 L5 T10 L11 C12W4-W8 HydrophobicContact CD2-CH2 4.26Å; W4-W8 HydrophobicContact CD2-CZ2 4.37Å; W4-W8 HydrophobicContact CD2-CZ3 4.31Å; W4-W8 AromaticContact CE2-CE2 3.74Å; W4-W8 AromaticContact CE2-CH2 3.63Å; W4-W8 AromaticContact CE2-CZ2 3.42Å; W4-W8 VanDerWaalsContact CE2-CZ2 3.42Å; W4-W8 HydrophobicContact CE3-CH2 4.32Å; W4-W8 HydrophobicContact CE3-CZ3 4.23Å; W4-W8 AromaticContact CH2-CH2 3.21Å; W4-W8 HydrophobicContact CH2-CH2 3.21Å; W4-W8 AromaticContact CH2-CZ2 3.74Å; W4-W8 HydrophobicContact CH2-CZ2 3.74Å; W4-W8 AromaticContact CH2-CZ3 3.87Å; W4-W8 HydrophobicContact CH2-CZ3 3.87Å; W4-W8 AromaticContact CZ2-CE2 3.89Å; W4-W8 AromaticContact CZ2-CH2 3.11Å; W4-W8 HydrophobicContact CZ2-CH2 3.11Å; W4-W8 AromaticContact CZ2-CZ2 3.08Å; W4-W8 HydrophobicContact CZ2-CZ2 3.08Å; W4-W8 AromaticContact CZ2-CZ3 3.94Å; W4-W8 HydrophobicContact CZ2-CZ3 3.94Å; W4-W8 AromaticContact CZ3-CH2 3.83Å; W4-W8 HydrophobicContact CZ3-CH2 3.83Å; W4-W8 AromaticContact CZ3-CZ3 4Å; W4-W8 HydrophobicContact CZ3-CZ3 4Å; W4-W8 AromaticContact NE1-CE2 3.62Å; W4-W8 AromaticContact NE1-CZ2 3.74Å; W4-W8 AromaticContact NE1-NE1 3.8Å; W4-W8 PolarHBondContact O-N 3Å; W4-W8 VanDerWaalsContact O-N 3.09Å; L5-W8 PolarHBondContact O-N 2.86Å; W8-T10 VanDerWaalsContact C-N 3.32Å; W8-T10 PolarHBondContact O-N 2.96Å; W8-L11 PolarHBondContact O-N 2.92Å; W8-C12 WeakPolarHBondContact O-CB 3.21Å; W8-C12 PolarHBondContact O-N 2.63Å; W8-C12 PolarHBondContact O-SG 2.86Å
9V77.4Confident69.9Low87 Ų87113.9 Ų113.953%0.52764%0.636SS.*Hα-helixtrans-61.8-41.8176.4173.50000110.7L5 L6 C12 L13L5-V9 VanDerWaalsContact O-CG2 3.29Å; L5-V9 WeakPolarHBondContact O-CG2 3.49Å; L5-V9 PolarHBondContact O-N 3.08Å; L6-V9 PolarHBondContact O-N 2.91Å; V9-C12 PolarHBondContact O-N 2.82Å; V9-L13 HydrophobicContact CG1-CD1 4Å; V9-L13 VanDerWaalsContact O-CG 3.3Å; V9-L13 WeakPolarHBondContact O-CG 3.33Å; V9-L13 PolarHBondContact O-N 2.86Å
10T73.7Confident69.1Low77 Ų77115.2 Ų115.247%0.47264%0.636SS.*Hα-helixtrans-67.3-39.9176.653.90000112.7L6 C7 W8 L13 L14L6-T10 WeakPolarHBondContact O-CG2 3.42Å; L6-T10 PolarHBondContact O-N 2.69Å; L6-T10 PolarHBondContact O-OG1 3.36Å; C7-T10 WeakPolarHBondContact CA-OG1 2.91Å; C7-T10 PolarHBondContact O-OG1 3.32Å; W8-T10 VanDerWaalsContact C-N 3.32Å; W8-T10 PolarHBondContact O-N 2.96Å; T10-L13 PolarHBondContact O-N 3.15Å; T10-L14 WeakPolarHBondContact O-CG 3.21Å; T10-L14 PolarHBondContact O-N 3.1Å
11L75.1Confident68.7Low113 Ų113114 Ų11459%0.59263%0.634SS**Hα-helixtrans-64.8-40.2176.9-152.381.1000111.9C7 W8 L14 A15C7-L11 WeakPolarHBondContact O-CB 3.38Å; C7-L11 PolarHBondContact O-N 3.14Å; W8-L11 PolarHBondContact O-N 2.92Å; L11-L14 PolarHBondContact O-N 2.83Å; L11-A15 WeakPolarHBondContact O-CB 3.25Å; L11-A15 PolarHBondContact O-N 2.59Å
12C75.5Confident69.2Low91 Ų91106 Ų10662%0.61561%0.608SS**Hα-helixtrans-65.7-39.6175.9-710000112.5W8 V9 A15 A16W8-C12 WeakPolarHBondContact O-CB 3.21Å; W8-C12 PolarHBondContact O-N 2.63Å; W8-C12 PolarHBondContact O-SG 2.86Å; V9-C12 PolarHBondContact O-N 2.82Å; C12-A15 PolarHBondContact O-N 2.82Å; C12-A16 PolarHBondContact O-N 2.9Å
13L70.6Confident69.4Low127 Ų127103.2 Ų103.267%0.66560%0.595SS**Hα-helixtrans-68.3-35177.4-73168.5000112.5V9 T10V9-L13 HydrophobicContact CG1-CD1 4Å; V9-L13 VanDerWaalsContact O-CG 3.3Å; V9-L13 WeakPolarHBondContact O-CG 3.33Å; V9-L13 PolarHBondContact O-N 2.86Å; T10-L13 PolarHBondContact O-N 3.15Å
14L67.9Low69.8Low145 Ų145100 Ų10076%0.75959%0.585SS**Hα-helixtrans-72.2-32.5174.8-71.7166.5000112.5T10 L11T10-L14 WeakPolarHBondContact O-CG 3.21Å; T10-L14 PolarHBondContact O-N 3.1Å; L11-L14 PolarHBondContact O-N 2.83Å
15A66.7Low70.4Confident83 Ų8394.5 Ų94.569%0.68657%0.566SS**Hα-helixtrans-77.4-21.6177.100000113.3L11 C12 G17L11-A15 WeakPolarHBondContact O-CB 3.25Å; L11-A15 PolarHBondContact O-N 2.59Å; C12-A15 PolarHBondContact O-N 2.82Å; A15-G17 PolarHBondContact O-N 3Å
16A61.7Low71.3Confident64 Ų6494 Ų9453%0.52957%0.567SS.*SBendtrans-71.967.3169.600000110C12 H18C12-A16 PolarHBondContact O-N 2.9Å; A16-H18 PolarHBondContact O-N 3.18Å; A16-H18 VanDerWaalsContact O-N 3.1Å
17G57.7Low72.3Confident62 Ų6290.9 Ų90.964%0.63955%0.554SS**  trans-55.5117.6169.600000108.7A15 S19A15-G17 PolarHBondContact O-N 3Å; G17-S19 VanDerWaalsContact C-N 3.28Å; G17-S19 PolarHBondContact O-N 3.19Å
18H54Low73Confident164 Ų16498.4 Ų98.476%0.75957%0.572SS**  trans-60.694.8168.4-109.265.1000107.5A16 E20A16-H18 PolarHBondContact O-N 3.18Å; A16-H18 VanDerWaalsContact O-N 3.1Å; H18-E20 IonicContact CD2-OE1 3.49Å; H18-E20 PolarHBondContact CD2-OE1 2.96Å; H18-E20 PolarHBondContact O-N 2.87Å
19S57.9Low73.9Confident108 Ų108100.4 Ų100.476%0.75559%0.586SS**  trans-72.577.6157.561.90000106.3G17 P21G17-S19 VanDerWaalsContact C-N 3.28Å; G17-S19 PolarHBondContact O-N 3.19Å; S19-P21 WeakPolarHBondContact O-CD 3.39Å
20E54.7Low74.7Confident138 Ų138102.1 Ų102.165%0.64559%0.587SS**  trans-48.9126.1165.2-82.4-72.6161.300106.9H18 G22H18-E20 IonicContact CD2-OE1 3.49Å; H18-E20 PolarHBondContact CD2-OE1 2.96Å; H18-E20 PolarHBondContact O-N 2.87Å; E20-G22 PolarHBondContact O-N 2.75Å
21P59.3Low75.8Confident92 Ų92105.2 Ų105.260%0.59761%0.605SS**  trans-60.784.9170.2-18.230.9000108.2S19 V23S19-P21 WeakPolarHBondContact O-CD 3.39Å; P21-V23 PolarHBondContact O-N 2.81Å
22G66.9Low76.8Confident52 Ų52102.4 Ų102.454%0.53659%0.592SS.*  trans-81.1123.6-169.800000109.6E20 S24E20-G22 PolarHBondContact O-N 2.75Å; G22-S24 PolarHBondContact O-N 2.89Å
23V76.9Confident77.8Confident51 Ų51104 Ų10431%0.30960%0.595SS.*  trans-60.8121.3160.8170.60000108.7P21 Q25 C42 Y111 S113P21-V23 PolarHBondContact O-N 2.81Å; V23-Q25 HydrophobicContact CG1-CG 4.24Å; V23-C42 WeakPolarHBondContact CG1-SG 3.49Å; V23-Y111 HydrophobicContact CG1-CD1 3.37Å; V23-Y111 HydrophobicContact CG1-CE1 3.93Å; V23-Y111 HydrophobicContact CG1-CG 4.32Å; V23-Y111 HydrophobicContact CG2-CD1 4.48Å; V23-S113 VanDerWaalsContact CG2-OG 3.28Å; V23-S113 WeakPolarHBondContact CG2-OG 3.35Å
24S85.4Confident79.1Confident74 Ų74104.7 Ų104.752%0.51760%0.597SS.*EExtended strand (participates in β ladder)trans-101107.2177.3-171.50000111.4G22 C42 D43G22-S24 PolarHBondContact O-N 2.89Å; S24-C42 WeakPolarHBondContact O-CA 3.49Å; S24-C42 PolarHBondContact O-SG 2.9Å; S24-D43 PolarHBondContact N-O 2.9Å; S24-D43 PolarHBondContact O-N 3.42Å; S24-D43 VanDerWaalsContact O-N 3.14Å
25Q91.4Very high80.5Confident50 Ų5099.3 Ų99.323%0.23458%0.576CS.*EExtended strand (participates in β ladder)trans-97.2132.9173.9-67.9-170.8-94.800111.9V23 R41 C42 Y109 Y111V23-Q25 HydrophobicContact CG1-CG 4.24Å; Q25-R41 CarbonylContact C-O 3.58Å; Q25-R41 WeakPolarHBondContact CA-O 3.14Å; Q25-C42 HydrophobicContact CG-CB 4.1Å; Q25-Y109 PolarHBondContact NE2-O 2.83Å; Q25-Y111 VanDerWaalsContact CD-N 3.31Å; Q25-Y111 VanDerWaalsContact NE2-CB 3.35Å; Q25-Y111 VanDerWaalsContact NE2-N 3.15Å; Q25-Y111 VanDerWaalsContact OE1-N 3.09Å
26T93.4Very high82Confident84 Ų84100.6 Ų100.652%0.51557%0.568SS.*EExtended strand (participates in β ladder)trans-132.1135.4178.2-59.90000111R41T26-R41 PolarHBondContact N-O 3.43Å; T26-R41 PolarHBondContact O-N 3.17Å
27P95.9Very high83.7Confident46 Ų46101.4 Ų101.430%0.29956%0.561SS.*  cis-76.3156.7-10.234.4-36.8000111.8H29 K30 L40P27-H29 VanDerWaalsContact C-N 3.33Å; P27-K30 HydrophobicContact CG-CB 3.85Å; P27-K30 HydrophobicContact CG-CD 4.39Å; P27-K30 HydrophobicContact CG-CG 4.46Å; P27-L40 HydrophobicContact CG-CD2 4.42Å
28R93.5Very high85.6Confident229 Ų22999.2 Ų99.286%0.86454%0.535SS*.SBendtrans-67.2-35.2171.7-69.7-174.4176.3-163-1.5112.7
29H95Very high87.7Confident171 Ų17194 Ų9479%0.79251%0.512SS*.  trans-136.9136.4177-55.7-76.9000109.3P27P27-H29 VanDerWaalsContact C-N 3.33Å
30K96Very high89.6Confident124 Ų12489.8 Ų89.854%0.53948%0.481SS..  trans-137.9123.7174.9-175.366173-179.10109.2P27 V38P27-K30 HydrophobicContact CG-CB 3.85Å; P27-K30 HydrophobicContact CG-CD 4.39Å; P27-K30 HydrophobicContact CG-CG 4.46Å; K30-V38 HydrophobicContact CG-CG1 4.25Å
31V95.9Very high91.5Very high142 Ų14290.6 Ų90.686%0.86148%0.478SS*.  trans-109.3136.1166.9-177.80000106.9
32T96.2Very high93.1Very high53 Ų5386.3 Ų86.333%0.32545%0.45SS..  trans-145.8159.2-177.1-159.40000110.5Q36 V38 A101T32-Q36 VanDerWaalsContact OG1-CB 3.26Å; T32-Q36 WeakPolarHBondContact OG1-CB 3.35Å; T32-V38 HydrophobicContact CG2-CG2 3.48Å; T32-V38 VanDerWaalsContact CG2-CG2 3.48Å; T32-A101 HydrophobicContact CG2-CB 3.94Å
33N97.2Very high93.9Very high126 Ų12688.6 Ų88.667%0.67445%0.45SS*.  trans-78155.9171.7-67.1-34.8000110.6Q36N33-Q36 HydrophobicContact CB-CG 3.88Å; N33-Q36 WeakPolarHBondContact O-CB 3.39Å; N33-Q36 PolarHBondContact O-N 3.5Å
34M97Very high93.9Very high141 Ų14186.6 Ų86.670%0.69544%0.438SS*.THydrogen-bonded Turntrans-56.2144.7171.3-61-168.6-50.200110.7Q36 A101 P103M34-Q36 PolarHBondContact O-N 3.04Å; M34-A101 WeakPolarHBondContact CA-O 3.22Å; M34-P103 HydrophobicContact CG-CG 4.05Å; M34-P103 HydrophobicContact SD-CG 3.42Å; M34-P103 WeakPolarHBondContact SD-CG 3.49Å
35G97.6Very high93.1Very high32 Ų3285 Ų8533%0.3343%0.427SS..THydrogen-bonded Turntrans82.1-18.5-179.300000114.5H99 A101G35-H99 PolarHBondContact O-CE1 3.44Å; G35-H99 PolarHBondContact O-ND1 2.94Å; G35-A101 PolarHBondContact N-O 3.04Å
36Q97.9Very high92Very high110 Ų11088.7 Ų88.751%0.51446%0.459SS..  trans-75.3159.6179.2-63.3-63.6-66.200111.7T32 N33 M34 A101T32-Q36 VanDerWaalsContact OG1-CB 3.26Å; T32-Q36 WeakPolarHBondContact OG1-CB 3.35Å; N33-Q36 HydrophobicContact CB-CG 3.88Å; N33-Q36 WeakPolarHBondContact O-CB 3.39Å; N33-Q36 PolarHBondContact O-N 3.5Å; M34-Q36 PolarHBondContact O-N 3.04Å; Q36-A101 WeakPolarHBondContact O-CB 3.36Å; Q36-A101 PolarHBondContact O-N 3.31Å
37E98.1Very high90.9Very high80 Ų8088.1 Ų88.137%0.37447%0.469SS..  trans-79.2140.4174.8-176.5-17773.600111.3I39 K97 H99E37-I39 HydrophobicContact CG-CD1 4.37Å; E37-I39 HydrophobicContact CG-CG1 3.96Å; E37-I39 WeakPolarHBondContact OE1-CD1 3.48Å; E37-K97 HydrophobicContact CG-CD 4.4Å; E37-K97 HydrophobicContact CG-CG 4.27Å; E37-K97 WeakPolarHBondContact OE2-CD 3.38Å; E37-K97 WeakPolarHBondContact OE2-CE 3.41Å; E37-K97 IonicContact OE2-NZ 3.32Å; E37-K97 PolarHBondContact OE2-NZ 2.84Å; E37-H99 HydrophobicContact CB-CB 4.33Å; E37-H99 HydrophobicContact CG-CB 4.26Å
38V98Very high90.1Very high16 Ų1688.1 Ų88.110%0.09747%0.465CS..EExtended strand (participates in β ladder)trans-119.8129167.1178.20000108.6K30 T32 L40 K97 I98 A101K30-V38 HydrophobicContact CG-CG1 4.25Å; T32-V38 HydrophobicContact CG2-CG2 3.48Å; T32-V38 VanDerWaalsContact CG2-CG2 3.48Å; V38-L40 HydrophobicContact CG1-CD2 4.14Å; V38-L40 HydrophobicContact CG1-CG 4.34Å; V38-K97 CarbonylContact O-C 3.57Å; V38-K97 WeakPolarHBondContact O-CA 3.46Å; V38-I98 HydrophobicContact CB-CB 4.3Å; V38-I98 PolarHBondContact N-O 3.14Å; V38-I98 PolarHBondContact O-N 2.84Å; V38-A101 HydrophobicContact CG2-CB 4.12Å
39I97.8Very high89.7Confident55 Ų5581.1 Ų81.128%0.28244%0.443SS..EExtended strand (participates in β ladder)trans-121.3122.6174.8-62.7178.7000108E37 R41 T95 K97E37-I39 HydrophobicContact CG-CD1 4.37Å; E37-I39 HydrophobicContact CG-CG1 3.96Å; E37-I39 WeakPolarHBondContact OE1-CD1 3.48Å; I39-R41 HydrophobicContact CG2-CG 3.96Å; I39-T95 HydrophobicContact CG2-CG2 3.51Å; I39-K97 HydrophobicContact CG1-CG 4.47Å
40L97.2Very high89.5Confident19 Ų1976.7 Ų76.710%0.09942%0.422CS..EExtended strand (participates in β ladder)trans-108.2133.7170.2-53.6179000108.2P27 V38 W53 T95 L96 Y109P27-L40 HydrophobicContact CG-CD2 4.42Å; V38-L40 HydrophobicContact CG1-CD2 4.14Å; V38-L40 HydrophobicContact CG1-CG 4.34Å; L40-W53 HydrophobicContact CB-CH2 3.85Å; L40-W53 HydrophobicContact CB-CZ3 4.09Å; L40-W53 HydrophobicContact CD1-CZ3 4.34Å; L40-T95 CarbonylContact O-C 3.54Å; L40-T95 VanDerWaalsContact O-CA 3.31Å; L40-T95 WeakPolarHBondContact O-CA 3.09Å; L40-L96 HydrophobicContact CB-CB 4.39Å; L40-L96 HydrophobicContact CD1-CD2 4.36Å; L40-L96 PolarHBondContact N-O 3.37Å; L40-L96 PolarHBondContact O-N 3.06Å; L40-Y109 HydrophobicContact CD1-CD1 4.23Å; L40-Y109 HydrophobicContact CD1-CD2 3.99Å; L40-Y109 HydrophobicContact CD1-CG 3.58Å
41R95.2Very high89.4Confident156 Ų15670.8 Ų70.859%0.58940%0.396SS*.EExtended strand (participates in β ladder)trans-122.8145.1-179.2-62.2-177.6179.1-175-1.9109.5Q25 T26 I39 S94 T95Q25-R41 CarbonylContact C-O 3.58Å; Q25-R41 WeakPolarHBondContact CA-O 3.14Å; T26-R41 PolarHBondContact N-O 3.43Å; T26-R41 PolarHBondContact O-N 3.17Å; I39-R41 HydrophobicContact CG2-CG 3.96Å; R41-S94 CarbonylContact C-O 3.56Å; R41-S94 WeakPolarHBondContact CA-O 3.32Å; R41-T95 HydrophobicContact CG-CG2 4.42Å
42C91.7Very high89.3Confident2 Ų266.1 Ų66.11%0.01437%0.365CS..EExtended strand (participates in β ladder)trans-134.3137.1169.9-164.60000110.8V23 S24 Q25 W53 S93 S94 Y111V23-C42 WeakPolarHBondContact CG1-SG 3.49Å; S24-C42 WeakPolarHBondContact O-CA 3.49Å; S24-C42 PolarHBondContact O-SG 2.9Å; Q25-C42 HydrophobicContact CG-CB 4.1Å; C42-W53 HydrophobicContact CB-CH2 4.3Å; C42-W53 HydrophobicContact CB-CZ2 4.2Å; C42-S93 CarbonylContact O-C 3.5Å; C42-S93 WeakPolarHBondContact O-CA 3.35Å; C42-S93 WeakPolarHBondContact O-CB 3.18Å; C42-S94 PolarHBondContact N-O 3.06Å; C42-S94 PolarHBondContact O-N 3.1Å; C42-Y111 HydrophobicContact CB-CD1 3.8Å; C42-Y111 HydrophobicContact CB-CD2 3.56Å; C42-Y111 HydrophobicContact CB-CE1 3.94Å; C42-Y111 HydrophobicContact CB-CE2 3.77Å; C42-Y111 HydrophobicContact CB-CG 3.51Å; C42-Y111 WeakPolarHBondContact SG-CD1 3.3Å; C42-Y111 WeakPolarHBondContact SG-CE1 3.29Å
43D84.3Confident89.3Confident99 Ų9963.6 Ų63.653%0.52935%0.35SS..EExtended strand (participates in β ladder)trans-116.3103.4171-163.24.7000108.2S24S24-D43 PolarHBondContact N-O 2.9Å; S24-D43 PolarHBondContact O-N 3.42Å; S24-D43 VanDerWaalsContact O-N 3.14Å
44P77.1Confident89.2Confident10 Ų1060.8 Ų60.87%0.06533%0.33CS..PPolyproline II helixtrans-70.9151.5174.531.3-32.6000109.8S46 H48 T92 Y111P44-S46 PolarHBondContact O-N 3.33Å; P44-H48 HydrophobicContact CB-CB 4.42Å; P44-T92 WeakPolarHBondContact CD-O 3.4Å; P44-T92 WeakPolarHBondContact CG-O 3.42Å; P44-Y111 HydrophobicContact CB-CE1 4.29Å; P44-Y111 WeakPolarHBondContact CG-OH 3.31Å
45S68.9Low89.2Confident41 Ų4156.6 Ų56.629%0.28731%0.306SS..PPolyproline II helixtrans-51.9135.2162.241.80000109.4G47 H48S45-G47 PolarHBondContact O-N 3.28Å; S45-H48 PolarHBondContact O-CD2 2.97Å; S45-H48 VanDerWaalsContact O-CD2 3.22Å; S45-H48 PolarHBondContact OG-NE2 2.88Å
46S68.8Low89.1Confident127 Ų12757.7 Ų57.789%0.88830%0.303SS*.THydrogen-bonded Turntrans-48.1133.2-172.7570000112.5P44P44-S46 PolarHBondContact O-N 3.33Å
47G70.4Confident88.7Confident72 Ų7254.3 Ų54.374%0.74229%0.288SS*.THydrogen-bonded Turntrans112.2-12.3168.700000116.4S45 M49S45-G47 PolarHBondContact O-N 3.28Å; G47-M49 PolarHBondContact O-N 2.62Å
48H78Confident88.2Confident46 Ų4658.1 Ų58.121%0.21331%0.311CS..  trans-66.4119.2175.5-72.7-77.9000111.3P44 S45 R88 S113 G114P44-H48 HydrophobicContact CB-CB 4.42Å; S45-H48 PolarHBondContact O-CD2 2.97Å; S45-H48 VanDerWaalsContact O-CD2 3.22Å; S45-H48 PolarHBondContact OG-NE2 2.88Å; H48-R88 PolarHBondContact O-NH2 3.49Å; H48-S113 PolarHBondContact CD2-OG 3.11Å; H48-G114 PolarHBondContact ND1-OXT 3.44Å
49M86.5Confident87.8Confident81 Ų8168.2 Ų68.240%0.39935%0.347SS..  trans-81.9-35.1-177.5-65.3-178.4-74.900111.2G47 Q69 Y70 R88 G114G47-M49 PolarHBondContact O-N 2.62Å; M49-Q69 WeakPolarHBondContact O-CA 3.21Å; M49-Y70 HydrophobicContact CB-CE1 4.43Å; M49-Y70 HydrophobicContact CG-CD1 4.44Å; M49-Y70 HydrophobicContact CG-CE1 3.76Å; M49-Y70 HydrophobicContact CG-CE2 4.47Å; M49-Y70 PolarHBondContact O-N 3.32Å; M49-Y70 HydrophobicContact SD-CE1 4.09Å; M49-Y70 HydrophobicContact SD-CE2 4.21Å; M49-Y70 VanDerWaalsContact SD-CZ 3.54Å; M49-Y70 PolarHBondContact SD-OH 3.05Å; M49-R88 PolarHBondContact O-NH1 3.13Å; M49-G114 PolarHBondContact N-O 3.11Å
50F90.6Very high87.1Confident78 Ų7873 Ų7334%0.34237%0.368SS..EExtended strand (participates in β ladder)trans-108.8129.8-175-64.8-84.2000110.6F68 Q69 S113 G114F50-F68 WeakPolarHBondContact CA-O 3.45Å; F50-Q69 HydrophobicContact CD1-CB 4Å; F50-Q69 HydrophobicContact CD1-CG 4.05Å; F50-Q69 HydrophobicContact CE1-CB 3.75Å; F50-Q69 HydrophobicContact CE1-CG 3.45Å; F50-Q69 VanDerWaalsContact CE1-CG 3.45Å; F50-Q69 HydrophobicContact CZ-CG 3.81Å; F50-S113 CarbonylContact O-C 3.53Å; F50-S113 WeakPolarHBondContact O-CA 3.24Å; F50-G114 PolarHBondContact N-O 3.4Å; F50-G114 VanDerWaalsContact N-O 3.13Å; F50-G114 PolarHBondContact O-N 3.23Å
51V92.5Very high86.8Confident0 Ų076.5 Ų76.50%038%0.384CS..EExtended strand (participates in β ladder)trans-136.6152.5175.3-52.70000110.8S67 F68 Y111 S112V51-S67 CarbonylContact O-C 3.55Å; V51-S67 WeakPolarHBondContact O-CA 3.26Å; V51-F68 HydrophobicContact CG2-CB 3.87Å; V51-F68 HydrophobicContact CG2-CD2 4Å; V51-F68 HydrophobicContact CG2-CG 4.39Å; V51-F68 PolarHBondContact N-O 3.31Å; V51-F68 PolarHBondContact O-N 3.05Å; V51-Y111 HydrophobicContact CB-CE1 4.29Å; V51-Y111 HydrophobicContact CB-CE2 3.69Å; V51-Y111 WeakPolarHBondContact CB-OH 3.39Å; V51-Y111 HydrophobicContact CG1-CE1 4.19Å; V51-Y111 HydrophobicContact CG1-CE2 4.22Å; V51-Y111 WeakPolarHBondContact CG1-OH 3.46Å; V51-Y111 HydrophobicContact CG2-CE2 3.87Å; V51-S112 CarbonylContact C-O 3.56Å; V51-S112 VanDerWaalsContact CA-O 3.25Å; V51-S112 WeakPolarHBondContact CA-O 3.48Å
52H94.2Very high86.8Confident45 Ų4573 Ų7321%0.20838%0.375CS..EExtended strand (participates in β ladder)trans-138.6134.7-170.1-49.778.9000109.2Y54 L64 S67 Y111 S112H52-Y54 HydrophobicContact CB-CD2 4.16Å; H52-Y54 HydrophobicContact CB-CE2 3.38Å; H52-L64 HydrophobicContact CB-CD1 4.09Å; H52-S67 PolarHBondContact CD2-OG 3.02Å; H52-Y111 WeakPolarHBondContact O-CA 3.46Å; H52-S112 PolarHBondContact N-O 2.98Å; H52-S112 PolarHBondContact ND1-OG 3.05Å; H52-S112 PolarHBondContact O-N 3.4Å
53W96.3Very high86.9Confident0 Ų077.7 Ų77.70%040%0.395CS..EExtended strand (participates in β ladder)trans-102.1130.7165.8-77100.3000109.5L40 C42 L65 I66 S94 L96 Y111L40-W53 HydrophobicContact CB-CH2 3.85Å; L40-W53 HydrophobicContact CB-CZ3 4.09Å; L40-W53 HydrophobicContact CD1-CZ3 4.34Å; C42-W53 HydrophobicContact CB-CH2 4.3Å; C42-W53 HydrophobicContact CB-CZ2 4.2Å; W53-L65 HydrophobicContact CB-CB 4.21Å; W53-L65 HydrophobicContact CB-CD1 4.41Å; W53-L65 VanDerWaalsContact O-CB 3.32Å; W53-L65 WeakPolarHBondContact O-CB 2.93Å; W53-L65 PolarHBondContact O-N 2.84Å; W53-I66 HydrophobicContact CB-CG2 4.01Å; W53-I66 HydrophobicContact CG-CG2 4.38Å; W53-I66 PolarHBondContact N-O 2.79Å; W53-S94 PolarHBondContact NE1-OG 3.38Å; W53-L96 HydrophobicContact CB-CD2 4.47Å; W53-L96 HydrophobicContact CD2-CB 3.78Å; W53-L96 HydrophobicContact CD2-CD2 4.03Å; W53-L96 HydrophobicContact CD2-CG 4.45Å; W53-L96 HydrophobicContact CE3-CB 4.02Å; W53-L96 HydrophobicContact CE3-CD2 3.78Å; W53-L96 HydrophobicContact CG-CB 4.33Å; W53-L96 HydrophobicContact CG-CD2 4.35Å; W53-L96 HydrophobicContact CH2-CB 4.12Å; W53-L96 HydrophobicContact CZ2-CB 3.9Å; W53-L96 HydrophobicContact CZ3-CB 4.17Å; W53-L96 HydrophobicContact CZ3-CD2 4.33Å; W53-Y111 HydrophobicContact CD2-CD2 4.02Å; W53-Y111 AromaticContact CE2-CD2 3.59Å; W53-Y111 HydrophobicContact CH2-CD2 4.26Å; W53-Y111 AromaticContact CZ2-CD2 3.72Å; W53-Y111 HydrophobicContact CZ2-CD2 3.72Å; W53-Y111 HydrophobicContact CZ2-CE2 4.43Å; W53-Y111 AromaticContact NE1-CD2 3.83Å
54Y95.9Very high87.5Confident66 Ų6675.5 Ų75.526%0.25938%0.383SS..EExtended strand (participates in β ladder)trans-119.8157.1173.2-58.8-92000111H52 M62 K63 L64 Y109 L110H52-Y54 HydrophobicContact CB-CD2 4.16Å; H52-Y54 HydrophobicContact CB-CE2 3.38Å; Y54-M62 HydrophobicContact CD1-CG 4.01Å; Y54-M62 HydrophobicContact CG-CG 4.36Å; Y54-M62 HydrophobicContact CG-SD 4.32Å; Y54-K63 CarbonylContact C-O 3.57Å; Y54-K63 VanDerWaalsContact CA-O 3.25Å; Y54-K63 WeakPolarHBondContact CA-O 3.2Å; Y54-L64 HydrophobicContact CD1-CB 4.16Å; Y54-L64 HydrophobicContact CD1-CD1 4.07Å; Y54-L64 HydrophobicContact CE1-CB 4.01Å; Y54-L64 HydrophobicContact CE1-CD1 3.63Å; Y54-L64 HydrophobicContact CE1-CG 4.42Å; Y54-L64 HydrophobicContact CE2-CD1 4.5Å; Y54-Y109 WeakPolarHBondContact O-CA 3.41Å; Y54-L110 PolarHBondContact N-O 3.42Å; Y54-L110 PolarHBondContact O-N 3.33Å
55R95.8Very high88.4Confident53 Ų5375.9 Ų75.920%0.239%0.385CS..EExtended strand (participates in β ladder)trans-124125.8170.1-176.9179176.5-163.1-11.6109.5K63 L65 R104 A107 Y109R55-K63 PolarHBondContact N-O 3.05Å; R55-K63 PolarHBondContact O-N 3.01Å; R55-L65 HydrophobicContact CB-CD1 3.97Å; R55-L65 HydrophobicContact CB-CD2 3.87Å; R55-L65 HydrophobicContact CB-CG 3.94Å; R55-R104 PolarHBondContact NH2-O 3.09Å; R55-A107 HydrophobicContact CG-CB 3.72Å; R55-Y109 HydrophobicContact CB-CD1 4.28Å; R55-Y109 HydrophobicContact CB-CE1 4.14Å; R55-Y109 HydrophobicContact CG-CD1 4.31Å; R55-Y109 HydrophobicContact CG-CE1 3.88Å; R55-Y109 PolarHBondContact NE-OH 3.49Å
56Q95.6Very high89.8Confident55 Ų5574 Ų7426%0.25737%0.371SS..EExtended strand (participates in β ladder)trans-108.2113.7171.7-165176.731.700109.7Q60 E61 M62 A107 V108Q56-Q60 PolarHBondContact NE2-O 3.27Å; Q56-E61 WeakPolarHBondContact CA-O 3.23Å; Q56-M62 HydrophobicContact CB-CE 3.73Å; Q56-M62 HydrophobicContact CB-SD 3.74Å; Q56-M62 HydrophobicContact CG-CE 3.81Å; Q56-M62 HydrophobicContact CG-SD 4.29Å; Q56-A107 WeakPolarHBondContact O-CA 3.44Å; Q56-A107 VanDerWaalsContact O-CB 3.23Å; Q56-A107 WeakPolarHBondContact O-CB 3.39Å; Q56-V108 HydrophobicContact CB-CB 4.24Å; Q56-V108 PolarHBondContact N-O 3.2Å; Q56-V108 PolarHBondContact O-N 3.08Å
57N90.7Very high91Very high40 Ų4068.2 Ų68.221%0.21433%0.331CS..  trans-77.5174.2177.168.422.4000111.8R59 Q60 E61N57-R59 PolarHBondContact O-N 2.85Å; N57-R59 VanDerWaalsContact O-N 3.11Å; N57-R59 WeakPolarHBondContact OD1-CA 3.4Å; N57-R59 WeakPolarHBondContact OD1-CB 3.34Å; N57-R59 PolarHBondContact OD1-N 2.81Å; N57-Q60 WeakPolarHBondContact O-CA 3.45Å; N57-Q60 PolarHBondContact O-N 3.32Å; N57-Q60 PolarHBondContact OD1-N 2.97Å; N57-E61 PolarHBondContact N-O 3.26Å; N57-E61 VanDerWaalsContact N-O 3.17Å; N57-E61 PolarHBondContact ND2-OE2 3.32Å; N57-E61 WeakPolarHBondContact OD1-CB 3.35Å; N57-E61 PolarHBondContact OD1-N 3.27Å
58L87Confident92.2Very high160 Ų16065 Ų6584%0.83830%0.297SS*.THydrogen-bonded Turntrans-60.7-19.3178.2-66.5175000113.9Q60L58-Q60 PolarHBondContact O-N 2.93Å
59R89.4Confident92.9Very high228 Ų22866.9 Ų66.986%0.8631%0.306SS*.THydrogen-bonded Turntrans-86.912.8173.7-59.6-176.2-179.6-168.7-0.5112.3N57 E61N57-R59 PolarHBondContact O-N 2.85Å; N57-R59 VanDerWaalsContact O-N 3.11Å; N57-R59 WeakPolarHBondContact OD1-CA 3.4Å; N57-R59 WeakPolarHBondContact OD1-CB 3.34Å; N57-R59 PolarHBondContact OD1-N 2.81Å; R59-E61 PolarHBondContact O-N 3.05Å
60Q83.9Confident93Very high155 Ų15569 Ų6972%0.72431%0.31SS*.  trans60.211.5-178.2-58.6-179.5-32.900114.7Q56 N57 L58 M62Q56-Q60 PolarHBondContact NE2-O 3.27Å; N57-Q60 WeakPolarHBondContact O-CA 3.45Å; N57-Q60 PolarHBondContact O-N 3.32Å; N57-Q60 PolarHBondContact OD1-N 2.97Å; L58-Q60 PolarHBondContact O-N 2.93Å; Q60-M62 PolarHBondContact O-N 2.82Å
61E91Very high93.1Very high93 Ų9370.6 Ų70.644%0.43532%0.318SS..  trans-73119.5175.7-173-167.6-177.700108.7Q56 N57 R59 K63Q56-E61 WeakPolarHBondContact CA-O 3.23Å; N57-E61 PolarHBondContact N-O 3.26Å; N57-E61 VanDerWaalsContact N-O 3.17Å; N57-E61 PolarHBondContact ND2-OE2 3.32Å; N57-E61 WeakPolarHBondContact OD1-CB 3.35Å; N57-E61 PolarHBondContact OD1-N 3.27Å; R59-E61 PolarHBondContact O-N 3.05Å; E61-K63 WeakPolarHBondContact OE1-CE 3.45Å; E61-K63 IonicContact OE1-NZ 3.11Å; E61-K63 PolarHBondContact OE1-NZ 2.86Å; E61-K63 VanDerWaalsContact OE2-CE 3.23Å; E61-K63 WeakPolarHBondContact OE2-CE 3.43Å; E61-K63 IonicContact OE2-NZ 3.05Å; E61-K63 PolarHBondContact OE2-NZ 2.97Å
62M93.5Very high93.1Very high82 Ų8275.5 Ų75.540%0.40435%0.345SS..EExtended strand (participates in β ladder)trans-89.6128.6177.5-164.66670.300110.1Y54 Q56 Q60 L110Y54-M62 HydrophobicContact CD1-CG 4.01Å; Y54-M62 HydrophobicContact CG-CG 4.36Å; Y54-M62 HydrophobicContact CG-SD 4.32Å; Q56-M62 HydrophobicContact CB-CE 3.73Å; Q56-M62 HydrophobicContact CB-SD 3.74Å; Q56-M62 HydrophobicContact CG-CE 3.81Å; Q56-M62 HydrophobicContact CG-SD 4.29Å; Q60-M62 PolarHBondContact O-N 2.82Å; M62-L110 HydrophobicContact CE-CD1 3.37Å; M62-L110 HydrophobicContact SD-CD1 3.94Å
63K95.1Very high93.2Very high100 Ų10078 Ų7844%0.43536%0.359SS..EExtended strand (participates in β ladder)trans-122.9129.9174.7-61.9-170.4-177.4-169.30109.9Y54 R55 E61Y54-K63 CarbonylContact C-O 3.57Å; Y54-K63 VanDerWaalsContact CA-O 3.25Å; Y54-K63 WeakPolarHBondContact CA-O 3.2Å; R55-K63 PolarHBondContact N-O 3.05Å; R55-K63 PolarHBondContact O-N 3.01Å; E61-K63 WeakPolarHBondContact OE1-CE 3.45Å; E61-K63 IonicContact OE1-NZ 3.11Å; E61-K63 PolarHBondContact OE1-NZ 2.86Å; E61-K63 VanDerWaalsContact OE2-CE 3.23Å; E61-K63 WeakPolarHBondContact OE2-CE 3.43Å; E61-K63 IonicContact OE2-NZ 3.05Å; E61-K63 PolarHBondContact OE2-NZ 2.97Å
64L96.4Very high93.1Very high53 Ų5380.4 Ų80.428%0.27738%0.379SS..EExtended strand (participates in β ladder)trans-64.9134.9163.9-177.966.1000108H52 Y54 V75 S77H52-L64 HydrophobicContact CB-CD1 4.09Å; Y54-L64 HydrophobicContact CD1-CB 4.16Å; Y54-L64 HydrophobicContact CD1-CD1 4.07Å; Y54-L64 HydrophobicContact CE1-CB 4.01Å; Y54-L64 HydrophobicContact CE1-CD1 3.63Å; Y54-L64 HydrophobicContact CE1-CG 4.42Å; Y54-L64 HydrophobicContact CE2-CD1 4.5Å; L64-V75 HydrophobicContact CD2-CB 4.46Å; L64-V75 HydrophobicContact CD2-CG1 3.87Å; L64-S77 WeakPolarHBondContact CD2-OG 3.47Å; L64-S77 WeakPolarHBondContact CG-OG 3.37Å; L64-S77 WeakPolarHBondContact O-CB 3.23Å; L64-S77 PolarHBondContact O-OG 2.82Å
65L96.5Very high93.1Very high18 Ų1880.4 Ų80.49%0.09439%0.385CS..EExtended strand (participates in β ladder)trans-100.8-54.8176.6-69.8-176.2000110.4W53 R55 S77 M79 L96 Y109W53-L65 HydrophobicContact CB-CB 4.21Å; W53-L65 HydrophobicContact CB-CD1 4.41Å; W53-L65 VanDerWaalsContact O-CB 3.32Å; W53-L65 WeakPolarHBondContact O-CB 2.93Å; W53-L65 PolarHBondContact O-N 2.84Å; R55-L65 HydrophobicContact CB-CD1 3.97Å; R55-L65 HydrophobicContact CB-CD2 3.87Å; R55-L65 HydrophobicContact CB-CG 3.94Å; L65-S77 WeakPolarHBondContact O-CB 3.44Å; L65-S77 PolarHBondContact O-N 3.31Å; L65-M79 HydrophobicContact CB-CG 3.84Å; L65-M79 HydrophobicContact CB-SD 3.57Å; L65-M79 VanDerWaalsContact CB-SD 3.57Å; L65-M79 HydrophobicContact CD1-SD 4.1Å; L65-M79 HydrophobicContact CD2-CG 3.88Å; L65-M79 HydrophobicContact CD2-SD 4.2Å; L65-M79 HydrophobicContact CG-CG 4.37Å; L65-M79 HydrophobicContact CG-SD 4.18Å; L65-L96 HydrophobicContact CD1-CD2 3.77Å; L65-Y109 HydrophobicContact CD1-CD1 4Å; L65-Y109 HydrophobicContact CD1-CE1 4.01Å
66I97.1Very high93.1Very high1 Ų181.3 Ų81.31%0.00539%0.394CS..EExtended strand (participates in β ladder)trans-161.9150.1-176.6-168.8167000109.8W53 F68 I73 V75 M79 A86W53-I66 HydrophobicContact CB-CG2 4.01Å; W53-I66 HydrophobicContact CG-CG2 4.38Å; W53-I66 PolarHBondContact N-O 2.79Å; I66-F68 HydrophobicContact CD1-CE1 4.44Å; I66-F68 HydrophobicContact CD1-CE2 4.22Å; I66-F68 HydrophobicContact CD1-CZ 3.83Å; I66-F68 HydrophobicContact CG1-CE2 4.25Å; I66-F68 HydrophobicContact CG1-CZ 4.32Å; I66-F68 HydrophobicContact CG2-CE2 4.03Å; I66-I73 HydrophobicContact CD1-CD1 4.12Å; I66-I73 HydrophobicContact CD1-CG1 4.12Å; I66-I73 HydrophobicContact CD1-CG2 4.12Å; I66-I73 HydrophobicContact CG1-CG2 4.1Å; I66-V75 CarbonylContact C-O 3.53Å; I66-V75 WeakPolarHBondContact CA-O 2.85Å; I66-V75 VanDerWaalsContact CG1-O 3.26Å; I66-V75 WeakPolarHBondContact CG1-O 3.48Å; I66-M79 HydrophobicContact CB-CE 3.7Å; I66-M79 HydrophobicContact CD1-CE 3.98Å; I66-M79 HydrophobicContact CG1-CE 4.41Å; I66-M79 HydrophobicContact CG2-CE 3.72Å; I66-M79 HydrophobicContact CG2-SD 4.48Å; I66-A86 HydrophobicContact CD1-CB 4.27Å; I66-A86 HydrophobicContact CG2-CB 3.73Å
67S95.5Very high93Very high6 Ų681.6 Ų81.64%0.04240%0.402CS..EExtended strand (participates in β ladder)trans-125.9145.1172.7-49.10000110.8V51 H52 A74 V75V51-S67 CarbonylContact O-C 3.55Å; V51-S67 WeakPolarHBondContact O-CA 3.26Å; H52-S67 PolarHBondContact CD2-OG 3.02Å; S67-A74 PolarHBondContact O-N 2.79Å; S67-V75 PolarHBondContact N-O 3Å; S67-V75 PolarHBondContact O-N 3.19Å
68F94.2Very high92.9Very high5 Ų582.6 Ų82.62%0.02242%0.422CS..EExtended strand (participates in β ladder)trans-116.6140172.2-60.9-93.1000111F50 V51 I66 N72 I73 A86 R88F50-F68 WeakPolarHBondContact CA-O 3.45Å; V51-F68 HydrophobicContact CG2-CB 3.87Å; V51-F68 HydrophobicContact CG2-CD2 4Å; V51-F68 HydrophobicContact CG2-CG 4.39Å; V51-F68 PolarHBondContact N-O 3.31Å; V51-F68 PolarHBondContact O-N 3.05Å; I66-F68 HydrophobicContact CD1-CE1 4.44Å; I66-F68 HydrophobicContact CD1-CE2 4.22Å; I66-F68 HydrophobicContact CD1-CZ 3.83Å; I66-F68 HydrophobicContact CG1-CE2 4.25Å; I66-F68 HydrophobicContact CG1-CZ 4.32Å; I66-F68 HydrophobicContact CG2-CE2 4.03Å; F68-N72 CarbonylContact C-O 3.55Å; F68-N72 WeakPolarHBondContact CA-O 3.32Å; F68-I73 HydrophobicContact CD1-CG1 4.17Å; F68-I73 HydrophobicContact CE1-CG1 3.74Å; F68-A86 HydrophobicContact CE2-CB 3.98Å; F68-A86 HydrophobicContact CZ-CB 3.88Å; F68-R88 HydrophobicContact CB-CB 4.36Å; F68-R88 HydrophobicContact CD1-CB 3.94Å; F68-R88 HydrophobicContact CD2-CB 4.23Å; F68-R88 HydrophobicContact CE1-CB 4.28Å; F68-R88 HydrophobicContact CG-CB 3.93Å
69Q93Very high93.2Very high86 Ų8675.5 Ų75.540%0.40239%0.385SS..EExtended strand (participates in β ladder)trans-109.6114.4162.8-177.3-179.8200107.5M49 F50 Q71 N72 A74M49-Q69 WeakPolarHBondContact O-CA 3.21Å; F50-Q69 HydrophobicContact CD1-CB 4Å; F50-Q69 HydrophobicContact CD1-CG 4.05Å; F50-Q69 HydrophobicContact CE1-CB 3.75Å; F50-Q69 HydrophobicContact CE1-CG 3.45Å; F50-Q69 VanDerWaalsContact CE1-CG 3.45Å; F50-Q69 HydrophobicContact CZ-CG 3.81Å; Q69-Q71 PolarHBondContact O-N 2.66Å; Q69-N72 PolarHBondContact N-O 3.48Å; Q69-N72 PolarHBondContact O-N 2.98Å; Q69-A74 HydrophobicContact CB-CB 3.95Å
70Y89.9Confident93.3Very high124 Ų12467.4 Ų67.449%0.48636%0.362SS..THydrogen-bonded Turntrans53.1-117.3-163.6-58.3-83.1000110.6M49 R88M49-Y70 HydrophobicContact CB-CE1 4.43Å; M49-Y70 HydrophobicContact CG-CD1 4.44Å; M49-Y70 HydrophobicContact CG-CE1 3.76Å; M49-Y70 HydrophobicContact CG-CE2 4.47Å; M49-Y70 PolarHBondContact O-N 3.32Å; M49-Y70 HydrophobicContact SD-CE1 4.09Å; M49-Y70 HydrophobicContact SD-CE2 4.21Å; M49-Y70 VanDerWaalsContact SD-CZ 3.54Å; M49-Y70 PolarHBondContact SD-OH 3.05Å; Y70-R88 WeakPolarHBondContact O-CD 3.42Å; Y70-R88 PolarHBondContact O-NH1 3.47Å
71Q91.3Very high93.7Very high112 Ų11264.7 Ų64.752%0.52335%0.348SS..THydrogen-bonded Turntrans-97.2-5.8177.167-150.515.700113.8Q69 R88Q69-Q71 PolarHBondContact O-N 2.66Å; Q71-R88 WeakPolarHBondContact CA-O 3.37Å; Q71-R88 WeakPolarHBondContact CB-O 3.25Å
72N93.6Very high93.9Very high104 Ų10467.9 Ų67.956%0.55636%0.362SS*.EExtended strand (participates in β ladder)trans-94.9146.1-174.5-60.4-47.2000110.7F68 Q69 A74F68-N72 CarbonylContact C-O 3.55Å; F68-N72 WeakPolarHBondContact CA-O 3.32Å; Q69-N72 PolarHBondContact N-O 3.48Å; Q69-N72 PolarHBondContact O-N 2.98Å; N72-A74 PolarHBondContact O-N 2.84Å
73I94.8Very high94.1Very high98 Ų9865 Ų6550%0.50335%0.347SS..EExtended strand (participates in β ladder)trans-69.8119.4172.4-60173.1000108.1I66 F68 D76I66-I73 HydrophobicContact CD1-CD1 4.12Å; I66-I73 HydrophobicContact CD1-CG1 4.12Å; I66-I73 HydrophobicContact CD1-CG2 4.12Å; I66-I73 HydrophobicContact CG1-CG2 4.1Å; F68-I73 HydrophobicContact CD1-CG1 4.17Å; F68-I73 HydrophobicContact CE1-CG1 3.74Å; I73-D76 HydrophobicContact CG2-CB 4.16Å
74A95.3Very high94.2Very high50 Ų5060.5 Ų60.541%0.41333%0.327SS..EExtended strand (participates in β ladder)trans-93.2-39.6176.300000111.6S67 Q69 N72S67-A74 PolarHBondContact O-N 2.79Å; Q69-A74 HydrophobicContact CB-CB 3.95Å; N72-A74 PolarHBondContact O-N 2.84Å
75V96.1Very high94.2Very high65 Ų6561.5 Ų61.539%0.39434%0.336SS..EExtended strand (participates in β ladder)trans-139.5134177.3178.30000108.4L64 I66 S67L64-V75 HydrophobicContact CD2-CB 4.46Å; L64-V75 HydrophobicContact CD2-CG1 3.87Å; I66-V75 CarbonylContact C-O 3.53Å; I66-V75 WeakPolarHBondContact CA-O 2.85Å; I66-V75 VanDerWaalsContact CG1-O 3.26Å; I66-V75 WeakPolarHBondContact CG1-O 3.48Å; S67-V75 PolarHBondContact N-O 3Å; S67-V75 PolarHBondContact O-N 3.19Å
76D94.8Very high94.2Very high73 Ų7361.4 Ų61.439%0.3934%0.337SS..EExtended strand (participates in β ladder)trans-121109.2169.7-168.9-12.9000108.3I73 G78 K81I73-D76 HydrophobicContact CG2-CB 4.16Å; D76-G78 PolarHBondContact O-N 2.86Å; D76-G78 PolarHBondContact OD1-N 3.3Å; D76-K81 IonicContact OD1-NZ 2.62Å; D76-K81 PolarHBondContact OD1-NZ 2.83Å; D76-K81 VanDerWaalsContact OD1-NZ 3.11Å; D76-K81 WeakPolarHBondContact OD2-CE 3.45Å; D76-K81 IonicContact OD2-NZ 3.8Å; D76-K81 PolarHBondContact OD2-NZ 3.23Å
77S93.6Very high94.1Very high60 Ų6066.4 Ų66.442%0.4236%0.361SS..  trans-8311.6-173.8-57.50000113.3L64 L65L64-S77 WeakPolarHBondContact CD2-OG 3.47Å; L64-S77 WeakPolarHBondContact CG-OG 3.37Å; L64-S77 WeakPolarHBondContact O-CB 3.23Å; L64-S77 PolarHBondContact O-OG 2.82Å; L65-S77 WeakPolarHBondContact O-CB 3.44Å; L65-S77 PolarHBondContact O-N 3.31Å
78G89.1Confident93.9Very high62 Ų6266.5 Ų66.564%0.63936%0.36SS*.  trans86.341.617700000113.4D76D76-G78 PolarHBondContact O-N 2.86Å; D76-G78 PolarHBondContact OD1-N 3.3Å
79M92.2Very high93.6Very high10 Ų1069.1 Ų69.15%0.04938%0.378CS..  trans-59.4143.3169-68.6-170.4-69.100111L65 I66 K81 F84 A86 L96L65-M79 HydrophobicContact CB-CG 3.84Å; L65-M79 HydrophobicContact CB-SD 3.57Å; L65-M79 VanDerWaalsContact CB-SD 3.57Å; L65-M79 HydrophobicContact CD1-SD 4.1Å; L65-M79 HydrophobicContact CD2-CG 3.88Å; L65-M79 HydrophobicContact CD2-SD 4.2Å; L65-M79 HydrophobicContact CG-CG 4.37Å; L65-M79 HydrophobicContact CG-SD 4.18Å; I66-M79 HydrophobicContact CB-CE 3.7Å; I66-M79 HydrophobicContact CD1-CE 3.98Å; I66-M79 HydrophobicContact CG1-CE 4.41Å; I66-M79 HydrophobicContact CG2-CE 3.72Å; I66-M79 HydrophobicContact CG2-SD 4.48Å; M79-K81 PolarHBondContact O-N 3.3Å; M79-F84 HydrophobicContact CB-CB 3.92Å; M79-F84 HydrophobicContact CB-CG 4.49Å; M79-F84 HydrophobicContact CG-CB 4.48Å; M79-F84 HydrophobicContact SD-CB 3.92Å; M79-F84 HydrophobicContact SD-CD1 4.18Å; M79-F84 HydrophobicContact SD-CG 4.37Å; M79-A86 HydrophobicContact CE-CB 4.38Å; M79-L96 HydrophobicContact SD-CD1 4.09Å
80P92.5Very high93.2Very high59 Ų5971.5 Ų71.538%0.38339%0.393SS..  trans-6199.4173.5-20.432.2000110.8E82 R83 F84P80-E82 PolarHBondContact O-N 3.27Å; P80-R83 PolarHBondContact O-N 2.86Å; P80-F84 HydrophobicContact CB-CD2 4.42Å; P80-F84 HydrophobicContact CG-CD2 4.38Å; P80-F84 PolarHBondContact O-N 3.39Å
81K93Very high92.8Very high98 Ų9866.5 Ų66.543%0.42638%0.38SS..THydrogen-bonded Turntrans-66.6-19.2-171-64.8-57.9-173.8-176.60113.4D76 M79 R83D76-K81 IonicContact OD1-NZ 2.62Å; D76-K81 PolarHBondContact OD1-NZ 2.83Å; D76-K81 VanDerWaalsContact OD1-NZ 3.11Å; D76-K81 WeakPolarHBondContact OD2-CE 3.45Å; D76-K81 IonicContact OD2-NZ 3.8Å; D76-K81 PolarHBondContact OD2-NZ 3.23Å; M79-K81 PolarHBondContact O-N 3.3Å; K81-R83 PolarHBondContact O-N 3.07Å
82E94.9Very high92.5Very high160 Ų16064.9 Ų64.975%0.74838%0.377SS*.THydrogen-bonded Turntrans-67.6-20174.1-5079-168.800111.9P80P80-E82 PolarHBondContact O-N 3.27Å
83R96.6Very high92.3Very high22 Ų2261.9 Ų61.98%0.08336%0.364CS..THydrogen-bonded Turntrans-128.6-31.6-176.1-50.1-168.2-59.3105.9-6.5115P80 K81 I98 H99 P100 E102 D105P80-R83 PolarHBondContact O-N 2.86Å; K81-R83 PolarHBondContact O-N 3.07Å; R83-I98 CarbonylContact O-C 3.59Å; R83-I98 WeakPolarHBondContact O-CA 3.02Å; R83-H99 VanDerWaalsContact CA-O 3.25Å; R83-H99 WeakPolarHBondContact CA-O 3.46Å; R83-H99 PolarHBondContact O-N 3.48Å; R83-P100 PolarHBondContact NH1-O 3.06Å; R83-P100 VanDerWaalsContact NH1-O 3.08Å; R83-E102 WeakPolarHBondContact CD-OE1 3.45Å; R83-E102 IonicContact CZ-OE1 3.62Å; R83-E102 IonicContact NE-OE1 3.83Å; R83-E102 PolarHBondContact NE-OE1 3Å; R83-E102 VanDerWaalsContact NE-OE1 3.14Å; R83-E102 IonicContact NH1-OE1 3.36Å; R83-E102 IonicContact NH2-OE1 2.91Å; R83-D105 IonicContact CZ-OD1 3.6Å; R83-D105 IonicContact CZ-OD2 2.63Å; R83-D105 IonicContact NH1-OD1 2.69Å; R83-D105 PolarHBondContact NH1-OD1 2.86Å; R83-D105 IonicContact NH1-OD2 4Å; R83-D105 PolarHBondContact NH1-OD2 3.12Å; R83-D105 IonicContact NH2-OD1 3.64Å; R83-D105 PolarHBondContact NH2-OD1 2.91Å; R83-D105 IonicContact NH2-OD2 3.43Å
84F97.4Very high92.3Very high4 Ų457.2 Ų57.22%0.01834%0.34CS..EExtended strand (participates in β ladder)trans-104.4127.8-177.5-75.5-101.3000110.4M79 P80 L96 K97 I98 Y109M79-F84 HydrophobicContact CB-CB 3.92Å; M79-F84 HydrophobicContact CB-CG 4.49Å; M79-F84 HydrophobicContact CG-CB 4.48Å; M79-F84 HydrophobicContact SD-CB 3.92Å; M79-F84 HydrophobicContact SD-CD1 4.18Å; M79-F84 HydrophobicContact SD-CG 4.37Å; P80-F84 HydrophobicContact CB-CD2 4.42Å; P80-F84 HydrophobicContact CG-CD2 4.38Å; P80-F84 PolarHBondContact O-N 3.39Å; F84-L96 HydrophobicContact CD1-CD1 4.38Å; F84-K97 WeakPolarHBondContact CA-O 3.37Å; F84-I98 HydrophobicContact CD1-CD1 4.39Å; F84-I98 HydrophobicContact CD1-CG1 3.86Å; F84-I98 HydrophobicContact CE1-CB 4.36Å; F84-I98 HydrophobicContact CE1-CD1 3.57Å; F84-I98 HydrophobicContact CE1-CG1 3.51Å; F84-I98 HydrophobicContact CE1-CG2 4.09Å; F84-I98 HydrophobicContact CE2-CG2 4.02Å; F84-I98 HydrophobicContact CZ-CD1 4.01Å; F84-I98 HydrophobicContact CZ-CG1 4.07Å; F84-I98 HydrophobicContact CZ-CG2 3.77Å; F84-Y109 AromaticContact CE1-CE1 3.96Å; F84-Y109 HydrophobicContact CE1-CE1 3.96Å
85T96.7Very high92.3Very high75 Ų7555.6 Ų55.646%0.4633%0.326SS..EExtended strand (participates in β ladder)trans-131.9138.5172-45.70000108.5K97T85-K97 PolarHBondContact N-O 3.26Å; T85-K97 PolarHBondContact O-N 3.35Å
86A96.2Very high92.3Very high15 Ų1552.5 Ų52.512%0.12431%0.307CS..EExtended strand (participates in β ladder)trans-131.2146.517000000109.6I66 F68 M79 T95 L96I66-A86 HydrophobicContact CD1-CB 4.27Å; I66-A86 HydrophobicContact CG2-CB 3.73Å; F68-A86 HydrophobicContact CE2-CB 3.98Å; F68-A86 HydrophobicContact CZ-CB 3.88Å; M79-A86 HydrophobicContact CE-CB 4.38Å; A86-T95 CarbonylContact C-O 3.55Å; A86-T95 WeakPolarHBondContact CA-O 3.34Å; A86-T95 WeakPolarHBondContact CB-O 3.15Å; A86-L96 HydrophobicContact CB-CD1 3.91Å
87E94.5Very high92.5Very high106 Ų10652.6 Ų52.650%0.49530%0.304SS..EExtended strand (participates in β ladder)trans-142.1156.5-178.858.7-177.7-17100110.3S94 T95E87-S94 CarbonylContact O-C 3.5Å; E87-S94 VanDerWaalsContact O-CA 3.24Å; E87-S94 WeakPolarHBondContact O-CA 3.18Å; E87-S94 PolarHBondContact O-OG 3.21Å; E87-T95 PolarHBondContact N-O 2.71Å; E87-T95 PolarHBondContact O-N 3.04Å
88R91.6Very high92.7Very high8 Ų850 Ų503%0.0329%0.285CS..  trans-143.374.7174-172.5167.4178.5-152.71.7110.1H48 M49 F68 Y70 Q71 N90 G91 T92 S93H48-R88 PolarHBondContact O-NH2 3.49Å; M49-R88 PolarHBondContact O-NH1 3.13Å; F68-R88 HydrophobicContact CB-CB 4.36Å; F68-R88 HydrophobicContact CD1-CB 3.94Å; F68-R88 HydrophobicContact CD2-CB 4.23Å; F68-R88 HydrophobicContact CE1-CB 4.28Å; F68-R88 HydrophobicContact CG-CB 3.93Å; Y70-R88 WeakPolarHBondContact O-CD 3.42Å; Y70-R88 PolarHBondContact O-NH1 3.47Å; Q71-R88 WeakPolarHBondContact CA-O 3.37Å; Q71-R88 WeakPolarHBondContact CB-O 3.25Å; R88-N90 PolarHBondContact O-N 2.88Å; R88-G91 PolarHBondContact NE-O 3.22Å; R88-G91 PolarHBondContact NH2-O 3.49Å; R88-G91 PolarHBondContact O-N 3.3Å; R88-T92 PolarHBondContact NE-O 2.85Å; R88-S93 WeakPolarHBondContact CA-O 3.28Å
89P88.1Confident93.1Very high60 Ų6051.2 Ų51.239%0.3927%0.274SS..G310 helixtrans-59.7135.2-179.125-33.9000110.9G91 T92 S93P89-G91 PolarHBondContact O-N 3.21Å; P89-T92 PolarHBondContact O-N 2.93Å; P89-T92 PolarHBondContact O-OG1 3.49Å; P89-S93 WeakPolarHBondContact CD-O 3.41Å
90N85.3Confident93.4Very high137 Ų13753.2 Ų53.273%0.73329%0.288SS*.G310 helixtrans55.817.9176.4-53.2-35.7000115.1R88 T92R88-N90 PolarHBondContact O-N 2.88Å; N90-T92 PolarHBondContact O-N 3.39Å
91G82.1Confident93.6Very high19 Ų1950.8 Ų50.820%0.19627%0.273CS..G310 helixtrans68.715.7-179.500000115.1R88 P89R88-G91 PolarHBondContact NE-O 3.22Å; R88-G91 PolarHBondContact NH2-O 3.49Å; R88-G91 PolarHBondContact O-N 3.3Å; P89-G91 PolarHBondContact O-N 3.21Å
92T84.6Confident93.8Very high77 Ų7749.1 Ų49.147%0.47227%0.267SS..SBendtrans-100.9-103.5-176.455.20000110.5P44 R88 P89 N90P44-T92 WeakPolarHBondContact CD-O 3.4Å; P44-T92 WeakPolarHBondContact CG-O 3.42Å; R88-T92 PolarHBondContact NE-O 2.85Å; P89-T92 PolarHBondContact O-N 2.93Å; P89-T92 PolarHBondContact O-OG1 3.49Å; N90-T92 PolarHBondContact O-N 3.39Å
93S89.2Confident93.7Very high41 Ų4145.6 Ų45.629%0.28726%0.257SS..  trans-70145.4175.563.90000111.3C42 R88 P89C42-S93 CarbonylContact O-C 3.5Å; C42-S93 WeakPolarHBondContact O-CA 3.35Å; C42-S93 WeakPolarHBondContact O-CB 3.18Å; R88-S93 WeakPolarHBondContact CA-O 3.28Å; P89-S93 WeakPolarHBondContact CD-O 3.41Å
94S93.5Very high93.6Very high0 Ų052 Ų520%028%0.281CS..EExtended strand (participates in β ladder)trans-116.3144.3170.7-171.90000111.1R41 C42 W53 E87R41-S94 CarbonylContact C-O 3.56Å; R41-S94 WeakPolarHBondContact CA-O 3.32Å; C42-S94 PolarHBondContact N-O 3.06Å; C42-S94 PolarHBondContact O-N 3.1Å; W53-S94 PolarHBondContact NE1-OG 3.38Å; E87-S94 CarbonylContact O-C 3.5Å; E87-S94 VanDerWaalsContact O-CA 3.24Å; E87-S94 WeakPolarHBondContact O-CA 3.18Å; E87-S94 PolarHBondContact O-OG 3.21Å
95T95.8Very high93.5Very high17 Ų1752.2 Ų52.210%0.10428%0.283CS..EExtended strand (participates in β ladder)trans-119.5137.3177.2-56.40000109.4I39 L40 R41 A86 E87I39-T95 HydrophobicContact CG2-CG2 3.51Å; L40-T95 CarbonylContact O-C 3.54Å; L40-T95 VanDerWaalsContact O-CA 3.31Å; L40-T95 WeakPolarHBondContact O-CA 3.09Å; R41-T95 HydrophobicContact CG-CG2 4.42Å; A86-T95 CarbonylContact C-O 3.55Å; A86-T95 WeakPolarHBondContact CA-O 3.34Å; A86-T95 WeakPolarHBondContact CB-O 3.15Å; E87-T95 PolarHBondContact N-O 2.71Å; E87-T95 PolarHBondContact O-N 3.04Å
96L97.3Very high93.4Very high0 Ų052.5 Ų52.50%029%0.288CS..EExtended strand (participates in β ladder)trans-116.2119.8165.1179.367.1000108.7L40 W53 L65 M79 F84 A86 Y109L40-L96 HydrophobicContact CB-CB 4.39Å; L40-L96 HydrophobicContact CD1-CD2 4.36Å; L40-L96 PolarHBondContact N-O 3.37Å; L40-L96 PolarHBondContact O-N 3.06Å; W53-L96 HydrophobicContact CB-CD2 4.47Å; W53-L96 HydrophobicContact CD2-CB 3.78Å; W53-L96 HydrophobicContact CD2-CD2 4.03Å; W53-L96 HydrophobicContact CD2-CG 4.45Å; W53-L96 HydrophobicContact CE3-CB 4.02Å; W53-L96 HydrophobicContact CE3-CD2 3.78Å; W53-L96 HydrophobicContact CG-CB 4.33Å; W53-L96 HydrophobicContact CG-CD2 4.35Å; W53-L96 HydrophobicContact CH2-CB 4.12Å; W53-L96 HydrophobicContact CZ2-CB 3.9Å; W53-L96 HydrophobicContact CZ3-CB 4.17Å; W53-L96 HydrophobicContact CZ3-CD2 4.33Å; L65-L96 HydrophobicContact CD1-CD2 3.77Å; M79-L96 HydrophobicContact SD-CD1 4.09Å; F84-L96 HydrophobicContact CD1-CD1 4.38Å; A86-L96 HydrophobicContact CB-CD1 3.91Å; L96-Y109 HydrophobicContact CD2-CD1 3.55Å; L96-Y109 HydrophobicContact CD2-CE1 4.05Å; L96-Y109 HydrophobicContact CD2-CG 4.41Å
97K97.9Very high93.4Very high75 Ų7553.3 Ų53.333%0.32630%0.295SS..EExtended strand (participates in β ladder)trans-111.2138.3-180172.6171.9158.91630110.6E37 V38 I39 F84 T85E37-K97 HydrophobicContact CG-CD 4.4Å; E37-K97 HydrophobicContact CG-CG 4.27Å; E37-K97 WeakPolarHBondContact OE2-CD 3.38Å; E37-K97 WeakPolarHBondContact OE2-CE 3.41Å; E37-K97 IonicContact OE2-NZ 3.32Å; E37-K97 PolarHBondContact OE2-NZ 2.84Å; V38-K97 CarbonylContact O-C 3.57Å; V38-K97 WeakPolarHBondContact O-CA 3.46Å; I39-K97 HydrophobicContact CG1-CG 4.47Å; F84-K97 WeakPolarHBondContact CA-O 3.37Å; T85-K97 PolarHBondContact N-O 3.26Å; T85-K97 PolarHBondContact O-N 3.35Å
98I97.9Very high93.5Very high5 Ų552 Ų523%0.02629%0.293CS..EExtended strand (participates in β ladder)trans-127.6117.3175.5-45.8175.1000107.9V38 R83 F84 Y109V38-I98 HydrophobicContact CB-CB 4.3Å; V38-I98 PolarHBondContact N-O 3.14Å; V38-I98 PolarHBondContact O-N 2.84Å; R83-I98 CarbonylContact O-C 3.59Å; R83-I98 WeakPolarHBondContact O-CA 3.02Å; F84-I98 HydrophobicContact CD1-CD1 4.39Å; F84-I98 HydrophobicContact CD1-CG1 3.86Å; F84-I98 HydrophobicContact CE1-CB 4.36Å; F84-I98 HydrophobicContact CE1-CD1 3.57Å; F84-I98 HydrophobicContact CE1-CG1 3.51Å; F84-I98 HydrophobicContact CE1-CG2 4.09Å; F84-I98 HydrophobicContact CE2-CG2 4.02Å; F84-I98 HydrophobicContact CZ-CD1 4.01Å; F84-I98 HydrophobicContact CZ-CG1 4.07Å; F84-I98 HydrophobicContact CZ-CG2 3.77Å; I98-Y109 HydrophobicContact CD1-CE1 3.92Å; I98-Y109 HydrophobicContact CD1-CE2 4Å; I98-Y109 WeakPolarHBondContact CD1-OH 3.19Å
99H97.8Very high93.7Very high87 Ų8753 Ų5340%0.40330%0.297SS..SBendtrans-157.4126.2175.4-179.267.9000111.5G35 E37 R83G35-H99 PolarHBondContact O-CE1 3.44Å; G35-H99 PolarHBondContact O-ND1 2.94Å; E37-H99 HydrophobicContact CB-CB 4.33Å; E37-H99 HydrophobicContact CG-CB 4.26Å; R83-H99 VanDerWaalsContact CA-O 3.25Å; R83-H99 WeakPolarHBondContact CA-O 3.46Å; R83-H99 PolarHBondContact O-N 3.48Å
100P97.6Very high94Very high52 Ų5253 Ų5334%0.33829%0.294SS..SBendcis-70.9143-6.427.7-33.7000112R83R83-P100 PolarHBondContact NH1-O 3.06Å; R83-P100 VanDerWaalsContact NH1-O 3.08Å
101A97.3Very high94.4Very high9 Ų947.1 Ų47.17%0.07426%0.262CS..  trans-70.4132.5167.800000110.7T32 M34 G35 Q36 V38T32-A101 HydrophobicContact CG2-CB 3.94Å; M34-A101 WeakPolarHBondContact CA-O 3.22Å; G35-A101 PolarHBondContact N-O 3.04Å; Q36-A101 WeakPolarHBondContact O-CB 3.36Å; Q36-A101 PolarHBondContact O-N 3.31Å; V38-A101 HydrophobicContact CG2-CB 4.12Å
102E96.8Very high94.8Very high63 Ų6348.3 Ų48.329%0.29427%0.267SS..  trans-118.4157.6176.6-64.4179.5-146.100111.1R83 R104 D105R83-E102 WeakPolarHBondContact CD-OE1 3.45Å; R83-E102 IonicContact CZ-OE1 3.62Å; R83-E102 IonicContact NE-OE1 3.83Å; R83-E102 PolarHBondContact NE-OE1 3Å; R83-E102 VanDerWaalsContact NE-OE1 3.14Å; R83-E102 IonicContact NH1-OE1 3.36Å; R83-E102 IonicContact NH2-OE1 2.91Å; E102-R104 HydrophobicContact CB-CG 3.92Å; E102-R104 VanDerWaalsContact CD-NH2 3.26Å; E102-R104 PolarHBondContact O-N 3.37Å; E102-R104 VanDerWaalsContact O-N 3.1Å; E102-R104 IonicContact OE1-CZ 3.02Å; E102-R104 IonicContact OE1-NE 2.63Å; E102-R104 IonicContact OE1-NH2 2.92Å; E102-R104 PolarHBondContact OE1-NH2 3.17Å; E102-R104 WeakPolarHBondContact OE2-CD 3.38Å; E102-R104 IonicContact OE2-CZ 3.14Å; E102-R104 IonicContact OE2-NE 2.83Å; E102-R104 PolarHBondContact OE2-NE 2.91Å; E102-R104 IonicContact OE2-NH2 3.71Å; E102-R104 PolarHBondContact OE2-NH2 3.08Å; E102-D105 PolarHBondContact N-OD2 3.45Å; E102-D105 WeakPolarHBondContact O-CB 3.25Å; E102-D105 PolarHBondContact O-N 3.02Å
103P94.5Very high95Very high85 Ų8545.9 Ų45.955%0.55225%0.253SS*.G310 helixtrans-53.8-36.5178.2-28.136.2000113M34 D105 S106M34-P103 HydrophobicContact CG-CG 4.05Å; M34-P103 HydrophobicContact SD-CG 3.42Å; M34-P103 WeakPolarHBondContact SD-CG 3.49Å; P103-D105 PolarHBondContact O-N 3.43Å; P103-D105 VanDerWaalsContact O-N 3.15Å; P103-S106 WeakPolarHBondContact O-CB 3.4Å; P103-S106 PolarHBondContact O-N 3.45Å; P103-S106 PolarHBondContact O-OG 3.03Å
104R93.4Very high94.5Very high156 Ų15647.4 Ų47.459%0.58928%0.276SS*.G310 helixtrans-63.4-14.5177.168.3171.8171.8-171.4-9.5113.9R55 E102 S106R55-R104 PolarHBondContact NH2-O 3.09Å; E102-R104 HydrophobicContact CB-CG 3.92Å; E102-R104 VanDerWaalsContact CD-NH2 3.26Å; E102-R104 PolarHBondContact O-N 3.37Å; E102-R104 VanDerWaalsContact O-N 3.1Å; E102-R104 IonicContact OE1-CZ 3.02Å; E102-R104 IonicContact OE1-NE 2.63Å; E102-R104 IonicContact OE1-NH2 2.92Å; E102-R104 PolarHBondContact OE1-NH2 3.17Å; E102-R104 WeakPolarHBondContact OE2-CD 3.38Å; E102-R104 IonicContact OE2-CZ 3.14Å; E102-R104 IonicContact OE2-NE 2.83Å; E102-R104 PolarHBondContact OE2-NE 2.91Å; E102-R104 IonicContact OE2-NH2 3.71Å; E102-R104 PolarHBondContact OE2-NH2 3.08Å; R104-S106 VanDerWaalsContact C-N 3.35Å
105D94.7Very high94.6Very high10 Ų1049.8 Ų49.85%0.05329%0.289CS..G310 helixtrans-85.6-8.8178.9-57.6-40.8000112.7R83 E102 P103 A107 Y109R83-D105 IonicContact CZ-OD1 3.6Å; R83-D105 IonicContact CZ-OD2 2.63Å; R83-D105 IonicContact NH1-OD1 2.69Å; R83-D105 PolarHBondContact NH1-OD1 2.86Å; R83-D105 IonicContact NH1-OD2 4Å; R83-D105 PolarHBondContact NH1-OD2 3.12Å; R83-D105 IonicContact NH2-OD1 3.64Å; R83-D105 PolarHBondContact NH2-OD1 2.91Å; R83-D105 IonicContact NH2-OD2 3.43Å; E102-D105 PolarHBondContact N-OD2 3.45Å; E102-D105 WeakPolarHBondContact O-CB 3.25Å; E102-D105 PolarHBondContact O-N 3.02Å; P103-D105 PolarHBondContact O-N 3.43Å; P103-D105 VanDerWaalsContact O-N 3.15Å; D105-A107 PolarHBondContact O-N 3.27Å; D105-Y109 WeakPolarHBondContact O-CE2 3.34Å; D105-Y109 PolarHBondContact O-OH 3.44Å; D105-Y109 VanDerWaalsContact O-OH 3.04Å
106S95.3Very high94.5Very high80 Ų8051.5 Ų51.556%0.55930%0.299SS*.  trans-57110.6175.4-55.60000110.7P103 R104P103-S106 WeakPolarHBondContact O-CB 3.4Å; P103-S106 PolarHBondContact O-N 3.45Å; P103-S106 PolarHBondContact O-OG 3.03Å; R104-S106 VanDerWaalsContact C-N 3.35Å
107A96Very high94.3Very high32 Ų3254.4 Ų54.426%0.26432%0.316SS..SBendtrans-165.6166-172.200000110R55 Q56 D105 Y109R55-A107 HydrophobicContact CG-CB 3.72Å; Q56-A107 WeakPolarHBondContact O-CA 3.44Å; Q56-A107 VanDerWaalsContact O-CB 3.23Å; Q56-A107 WeakPolarHBondContact O-CB 3.39Å; D105-A107 PolarHBondContact O-N 3.27Å; A107-Y109 HydrophobicContact CB-CD2 4.34Å; A107-Y109 HydrophobicContact CB-CE2 3.84Å
108V96Very high94.1Very high78 Ų7853.2 Ų53.247%0.47332%0.315SS..EExtended strand (participates in β ladder)trans-85.2132.3163178.90000107.8Q56 L110Q56-V108 HydrophobicContact CB-CB 4.24Å; Q56-V108 PolarHBondContact N-O 3.2Å; Q56-V108 PolarHBondContact O-N 3.08Å; V108-L110 HydrophobicContact CG1-CD2 3.67Å; V108-L110 HydrophobicContact CG1-CG 3.98Å
109Y96.3Very high93.9Very high29 Ų2956.2 Ų56.211%0.11433%0.333CS..EExtended strand (participates in β ladder)trans-113.1115.7177.2-72.4-93.3000108.7Q25 L40 Y54 R55 L65 F84 L96 I98 D105 A107Q25-Y109 PolarHBondContact NE2-O 2.83Å; L40-Y109 HydrophobicContact CD1-CD1 4.23Å; L40-Y109 HydrophobicContact CD1-CD2 3.99Å; L40-Y109 HydrophobicContact CD1-CG 3.58Å; Y54-Y109 WeakPolarHBondContact O-CA 3.41Å; R55-Y109 HydrophobicContact CB-CD1 4.28Å; R55-Y109 HydrophobicContact CB-CE1 4.14Å; R55-Y109 HydrophobicContact CG-CD1 4.31Å; R55-Y109 HydrophobicContact CG-CE1 3.88Å; R55-Y109 PolarHBondContact NE-OH 3.49Å; L65-Y109 HydrophobicContact CD1-CD1 4Å; L65-Y109 HydrophobicContact CD1-CE1 4.01Å; F84-Y109 AromaticContact CE1-CE1 3.96Å; F84-Y109 HydrophobicContact CE1-CE1 3.96Å; L96-Y109 HydrophobicContact CD2-CD1 3.55Å; L96-Y109 HydrophobicContact CD2-CE1 4.05Å; L96-Y109 HydrophobicContact CD2-CG 4.41Å; I98-Y109 HydrophobicContact CD1-CE1 3.92Å; I98-Y109 HydrophobicContact CD1-CE2 4Å; I98-Y109 WeakPolarHBondContact CD1-OH 3.19Å; D105-Y109 WeakPolarHBondContact O-CE2 3.34Å; D105-Y109 PolarHBondContact O-OH 3.44Å; D105-Y109 VanDerWaalsContact O-OH 3.04Å; A107-Y109 HydrophobicContact CB-CD2 4.34Å; A107-Y109 HydrophobicContact CB-CE2 3.84Å
110L94.6Very high93.6Very high61 Ų6154.1 Ų54.132%0.31933%0.329SS..EExtended strand (participates in β ladder)trans-107.1139.6-174.1-60.3171.6000109.8Y54 M62 V108Y54-L110 PolarHBondContact N-O 3.42Å; Y54-L110 PolarHBondContact O-N 3.33Å; M62-L110 HydrophobicContact CE-CD1 3.37Å; M62-L110 HydrophobicContact SD-CD1 3.94Å; V108-L110 HydrophobicContact CG1-CD2 3.67Å; V108-L110 HydrophobicContact CG1-CG 3.98Å
111Y93.8Very high93.4Very high14 Ų1454.3 Ų54.36%0.05533%0.328CS..EExtended strand (participates in β ladder)trans-108.9136168.1-179.2-85.3000108.9V23 Q25 C42 P44 V51 H52 W53V23-Y111 HydrophobicContact CG1-CD1 3.37Å; V23-Y111 HydrophobicContact CG1-CE1 3.93Å; V23-Y111 HydrophobicContact CG1-CG 4.32Å; V23-Y111 HydrophobicContact CG2-CD1 4.48Å; Q25-Y111 VanDerWaalsContact CD-N 3.31Å; Q25-Y111 VanDerWaalsContact NE2-CB 3.35Å; Q25-Y111 VanDerWaalsContact NE2-N 3.15Å; Q25-Y111 VanDerWaalsContact OE1-N 3.09Å; C42-Y111 HydrophobicContact CB-CD1 3.8Å; C42-Y111 HydrophobicContact CB-CD2 3.56Å; C42-Y111 HydrophobicContact CB-CE1 3.94Å; C42-Y111 HydrophobicContact CB-CE2 3.77Å; C42-Y111 HydrophobicContact CB-CG 3.51Å; C42-Y111 WeakPolarHBondContact SG-CD1 3.3Å; C42-Y111 WeakPolarHBondContact SG-CE1 3.29Å; P44-Y111 HydrophobicContact CB-CE1 4.29Å; P44-Y111 WeakPolarHBondContact CG-OH 3.31Å; V51-Y111 HydrophobicContact CB-CE1 4.29Å; V51-Y111 HydrophobicContact CB-CE2 3.69Å; V51-Y111 WeakPolarHBondContact CB-OH 3.39Å; V51-Y111 HydrophobicContact CG1-CE1 4.19Å; V51-Y111 HydrophobicContact CG1-CE2 4.22Å; V51-Y111 WeakPolarHBondContact CG1-OH 3.46Å; V51-Y111 HydrophobicContact CG2-CE2 3.87Å; H52-Y111 WeakPolarHBondContact O-CA 3.46Å; W53-Y111 HydrophobicContact CD2-CD2 4.02Å; W53-Y111 AromaticContact CE2-CD2 3.59Å; W53-Y111 HydrophobicContact CH2-CD2 4.26Å; W53-Y111 AromaticContact CZ2-CD2 3.72Å; W53-Y111 HydrophobicContact CZ2-CD2 3.72Å; W53-Y111 HydrophobicContact CZ2-CE2 4.43Å; W53-Y111 AromaticContact NE1-CD2 3.83Å
112S91.6Very high93Very high43 Ų4357.8 Ų57.830%0.30135%0.348SS..EExtended strand (participates in β ladder)trans-127.9149.4167.877.40000110.7V51 H52V51-S112 CarbonylContact C-O 3.56Å; V51-S112 VanDerWaalsContact CA-O 3.25Å; V51-S112 WeakPolarHBondContact CA-O 3.48Å; H52-S112 PolarHBondContact N-O 2.98Å; H52-S112 PolarHBondContact ND1-OG 3.05Å; H52-S112 PolarHBondContact O-N 3.4Å
113S87.5Confident92.7Very high26 Ų2657.3 Ų57.318%0.18235%0.352CS..EExtended strand (participates in β ladder)trans-127.6144.6174.6600000110.6V23 H48 F50V23-S113 VanDerWaalsContact CG2-OG 3.28Å; V23-S113 WeakPolarHBondContact CG2-OG 3.35Å; H48-S113 PolarHBondContact CD2-OG 3.11Å; F50-S113 CarbonylContact O-C 3.53Å; F50-S113 WeakPolarHBondContact O-CA 3.24Å
114G79.1Confident92.6Very high74 Ų7454.8 Ų54.876%0.76333%0.334SS*.  trans-132.3017800000110.9H48 M49 F50H48-G114 PolarHBondContact ND1-OXT 3.44Å; M49-G114 PolarHBondContact N-O 3.11Å; F50-G114 PolarHBondContact N-O 3.4Å; F50-G114 VanDerWaalsContact N-O 3.13Å; F50-G114 PolarHBondContact O-N 3.23Å

Retrieved 114 of 114 residues in 283.3 ms (Link to these results)