A0A075B635_MOUSE Loading...

T cell receptor alpha variable 13N-4

AlphaFold DB , UniProt , Accession A0A075B635, Species MOUSE (Mus musculus, Mouse), Gene Trav13n-4, Length 89 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
1E60.8Low90.9Very high219 Ų21997 Ų97100%1.02354%0.541SS*.  0124.10-59.6-66.582.900110.7S26E1-S26 PolarHBondContact O-OG 2.9Å
2Q76.2Confident91.4Very high124 Ų124100.5 Ų100.558%0.57957%0.566SS**  trans-80.5117.5172.4-170.2171.91900107.6I27 M89Q2-I27 HydrophobicContact CB-CD1 4.5Å; Q2-I27 HydrophobicContact CG-CD1 3.83Å; Q2-I27 HydrophobicContact CG-CG1 4.16Å; Q2-M89 HydrophobicContact CG-CE 3.35Å
3Q90.2Very high91.7Very high107 Ų10797.1 Ų97.150%0.555%0.545SS..  trans-127.2137.2-173.4-166.8176.322.800109.7S26Q3-S26 PolarHBondContact N-OG 3.1Å; Q3-S26 PolarHBondContact O-N 2.84Å
4V94.2Very high92Very high47 Ų47100.6 Ų100.629%0.28556%0.555SS.*EExtended strand (participates in β ladder)trans-112.9134.5171.4-179.10000107.7Q6 C23 S24 F25 M89V4-Q6 HydrophobicContact CG1-CG 4.26Å; V4-C23 WeakPolarHBondContact CG1-SG 3.03Å; V4-S24 WeakPolarHBondContact CA-O 3.49Å; V4-F25 HydrophobicContact CG2-CD1 4.23Å; V4-M89 HydrophobicContact CG2-CE 3.72Å; V4-M89 HydrophobicContact CG2-CG 4.26Å
5Q96.7Very high92.3Very high103 Ų103102.2 Ų102.248%0.48156%0.557SS.*EExtended strand (participates in β ladder)trans-120.9123.7173.3-69.6-66.8-23.500108.8C23 S24Q5-C23 CarbonylContact O-C 3.57Å; Q5-C23 WeakPolarHBondContact O-CA 3.42Å; Q5-S24 WeakPolarHBondContact CB-OG 3.44Å; Q5-S24 PolarHBondContact N-O 3.18Å; Q5-S24 PolarHBondContact O-N 3.14Å; Q5-S24 PolarHBondContact O-OG 2.91Å
6Q97.6Very high92.6Very high62 Ų6299.7 Ų99.729%0.2955%0.554SS.*EExtended strand (participates in β ladder)trans-111.1142.2179.8-71.9-172.7-116.500111.7V4 Q22 C23 Y85 C87V4-Q6 HydrophobicContact CG1-CG 4.26Å; Q6-Q22 CarbonylContact C-O 3.57Å; Q6-Q22 VanDerWaalsContact CA-O 3.23Å; Q6-Q22 WeakPolarHBondContact CA-O 3.3Å; Q6-C23 HydrophobicContact CG-CB 4.4Å; Q6-Y85 PolarHBondContact NE2-O 3.13Å; Q6-C87 HydrophobicContact CG-CB 4.16Å
7S98.1Very high92.9Very high54 Ų5499.6 Ų99.638%0.37855%0.549SS..EExtended strand (participates in β ladder)trans-145.9145.517661.80000112Q22S7-Q22 PolarHBondContact N-O 2.87Å; S7-Q22 PolarHBondContact O-N 2.98Å
8P97.8Very high93.2Very high58 Ų5899.6 Ų99.638%0.37755%0.548SS..  cis-68.4159.8-10.931.9-37.4000111.9S10 L11P8-S10 VanDerWaalsContact C-N 3.28Å; P8-S10 PolarHBondContact O-N 2.84Å; P8-L11 HydrophobicContact CG-CB 4Å; P8-L11 HydrophobicContact CG-CD1 4.33Å
9A96.3Very high93.4Very high110 Ų11094.8 Ų94.891%0.90952%0.523SS*.SBendtrans-69.1-29.1176.700000112.5
10S96.3Very high93.6Very high99 Ų9994.8 Ų94.869%0.69252%0.519SS*.  trans-147.1141.6174.458.60000108.9P8P8-S10 VanDerWaalsContact C-N 3.28Å; P8-S10 PolarHBondContact O-N 2.84Å
11L96Very high93.9Very high84 Ų8491.2 Ų91.244%0.4450%0.499SS..  trans-131.2131.4177.2-176.661.8000108.6P8 L13 A19P8-L11 HydrophobicContact CG-CB 4Å; P8-L11 HydrophobicContact CG-CD1 4.33Å; L11-L13 HydrophobicContact CD2-CD2 3.6Å; L11-L13 HydrophobicContact CG-CD2 3.82Å; L11-A19 HydrophobicContact CD2-CB 3.8Å
12V96.7Very high95.6Very high139 Ų13983.7 Ų83.784%0.84246%0.464SS*.  trans-123.4125.4174.5-177.80000106.9
13L95.5Very high96.6Very high56 Ų5677.8 Ų77.829%0.29344%0.436SS..  trans-148.8161.1-175.855.784.2000109.7L11 E17 A19 S77L11-L13 HydrophobicContact CD2-CD2 3.6Å; L11-L13 HydrophobicContact CG-CD2 3.82Å; L13-E17 WeakPolarHBondContact CA-OE2 3.29Å; L13-E17 HydrophobicContact CB-CB 4.23Å; L13-E17 WeakPolarHBondContact CB-OE2 3.33Å; L13-E17 HydrophobicContact CD1-CB 4.31Å; L13-A19 HydrophobicContact CD2-CB 3.58Å; L13-S77 VanDerWaalsContact CD1-CB 3.45Å
14Q96.2Very high96.9Very high146 Ų14674.8 Ų74.868%0.68243%0.427SS*.  trans-81.9160.5175.4-61-64.5-28.900111.2E17Q14-E17 HydrophobicContact CB-CG 4.1Å; Q14-E17 PolarHBondContact N-OE2 3.4Å; Q14-E17 WeakPolarHBondContact O-CB 3.23Å; Q14-E17 PolarHBondContact O-N 2.82Å
15E96Very high97Very high125 Ų12573.2 Ų73.258%0.58442%0.416SS*.THydrogen-bonded Turntrans-56.8148.7171.5-167.2170.3-170.100110.8E17 S77E15-E17 PolarHBondContact O-N 3.25Å; E15-E17 VanDerWaalsContact O-N 3.11Å; E15-S77 WeakPolarHBondContact CA-O 3.44Å; E15-S77 WeakPolarHBondContact CG-O 3.22Å
16A96.6Very high96.8Very high62 Ų6270.9 Ų70.951%0.51241%0.412SS..THydrogen-bonded Turntrans66.3-6.8-174.100000116.3S77A16-S77 PolarHBondContact N-O 2.96Å
17E98Very high96.5Very high98 Ų9871.6 Ų71.646%0.45842%0.417SS..PPolyproline II helixtrans-71.1156.8168.6-64.8-167114.600111.5L13 Q14 E15 S77L13-E17 WeakPolarHBondContact CA-OE2 3.29Å; L13-E17 HydrophobicContact CB-CB 4.23Å; L13-E17 WeakPolarHBondContact CB-OE2 3.33Å; L13-E17 HydrophobicContact CD1-CB 4.31Å; Q14-E17 HydrophobicContact CB-CG 4.1Å; Q14-E17 PolarHBondContact N-OE2 3.4Å; Q14-E17 WeakPolarHBondContact O-CB 3.23Å; Q14-E17 PolarHBondContact O-N 2.82Å; E15-E17 PolarHBondContact O-N 3.25Å; E15-E17 VanDerWaalsContact O-N 3.11Å; E17-S77 WeakPolarHBondContact O-CB 3.42Å; E17-S77 PolarHBondContact O-N 2.92Å; E17-S77 PolarHBondContact O-OG 2.9Å
18N98Very high96.1Very high100 Ų10075.3 Ų75.354%0.53543%0.426SS..PPolyproline II helixtrans-90.7137.6176.8-64.1-25000110.2I74 S75 S76N18-I74 CarbonylContact C-O 3.55Å; N18-I74 VanDerWaalsContact CA-O 3.31Å; N18-I74 WeakPolarHBondContact CA-O 3.22Å; N18-S75 WeakPolarHBondContact OD1-CA 3Å; N18-S76 PolarHBondContact OD1-N 2.79Å
19A97.4Very high95.6Very high9 Ų973.6 Ų73.67%0.07442%0.415CS..EExtended strand (participates in β ladder)trans-103.5142.4172.800000110.2L11 L13 H73 I74L11-A19 HydrophobicContact CD2-CB 3.8Å; L13-A19 HydrophobicContact CD2-CB 3.58Å; A19-H73 CarbonylContact O-C 3.58Å; A19-H73 VanDerWaalsContact O-CA 3.31Å; A19-H73 WeakPolarHBondContact O-CA 3.21Å; A19-H73 PolarHBondContact O-CD2 2.89Å; A19-I74 HydrophobicContact CB-CB 3.98Å; A19-I74 HydrophobicContact CB-CD1 4.33Å; A19-I74 HydrophobicContact CB-CG1 4.17Å; A19-I74 PolarHBondContact N-O 2.74Å; A19-I74 PolarHBondContact O-N 3.38Å
20E98.1Very high95.2Very high93 Ų9373.5 Ų73.544%0.43540%0.399SS..EExtended strand (participates in β ladder)trans-130.1128.7168.4-168.5-175.8157.900110Q22E20-Q22 PolarHBondContact OE1-NE2 2.81Å
21L98.3Very high94.9Very high20 Ų2073.9 Ų73.911%0.10539%0.39CS..EExtended strand (participates in β ladder)trans-117.5142.2172.8-58.7171.8000108.6W34 S71 L72 Y85L21-W34 HydrophobicContact CB-CH2 3.93Å; L21-W34 HydrophobicContact CB-CZ3 4.02Å; L21-W34 HydrophobicContact CD1-CZ3 4.34Å; L21-S71 CarbonylContact O-C 3.55Å; L21-S71 WeakPolarHBondContact O-CA 3.43Å; L21-S71 WeakPolarHBondContact O-CB 3.45Å; L21-L72 HydrophobicContact CB-CB 4.41Å; L21-L72 HydrophobicContact CD1-CD2 4.39Å; L21-L72 PolarHBondContact N-O 3.2Å; L21-L72 PolarHBondContact O-N 2.99Å; L21-Y85 HydrophobicContact CD1-CD1 4.11Å; L21-Y85 HydrophobicContact CD1-CD2 4.07Å; L21-Y85 HydrophobicContact CD1-CG 3.57Å
22Q97.9Very high94.8Very high61 Ų6169.9 Ų69.929%0.28537%0.369SS..EExtended strand (participates in β ladder)trans-121.8145.4178.8-60.9-174.7-13.200109.7Q6 S7 E20Q6-Q22 CarbonylContact C-O 3.57Å; Q6-Q22 VanDerWaalsContact CA-O 3.23Å; Q6-Q22 WeakPolarHBondContact CA-O 3.3Å; S7-Q22 PolarHBondContact N-O 2.87Å; S7-Q22 PolarHBondContact O-N 2.98Å; E20-Q22 PolarHBondContact OE1-NE2 2.81Å
23C97.3Very high94.8Very high1 Ų164.4 Ų64.41%0.00733%0.334CS..EExtended strand (participates in β ladder)trans-136126.3-178.8178.80000107.7V4 Q5 Q6 F25 W34 R69 S70 C87V4-C23 WeakPolarHBondContact CG1-SG 3.03Å; Q5-C23 CarbonylContact O-C 3.57Å; Q5-C23 WeakPolarHBondContact O-CA 3.42Å; Q6-C23 HydrophobicContact CG-CB 4.4Å; C23-F25 HydrophobicContact CB-CZ 4.47Å; C23-F25 WeakPolarHBondContact SG-CE1 3.41Å; C23-W34 HydrophobicContact CB-CH2 3.66Å; C23-W34 HydrophobicContact CB-CZ2 3.61Å; C23-R69 CarbonylContact O-C 3.48Å; C23-R69 VanDerWaalsContact O-CA 3.25Å; C23-R69 WeakPolarHBondContact O-CA 3.47Å; C23-S70 PolarHBondContact N-O 3.2Å; C23-S70 PolarHBondContact O-N 3.29Å; C23-S70 VanDerWaalsContact O-O 3.11Å; C23-C87 HydrophobicContact CB-CB 3.49Å; C23-C87 VanDerWaalsContact CB-CB 3.49Å; C23-C87 WeakPolarHBondContact CB-SG 3.45Å; C23-C87 WeakPolarHBondContact SG-CB 3.46Å; C23-C87 CovalentContact SG-SG 2.03Å; C23-C87 PolarHBondContact SG-SG 3.22Å
24S96.7Very high94.9Very high44 Ų4461.7 Ų61.731%0.30832%0.32SS..EExtended strand (participates in β ladder)trans-123.2148.1177.259.40000110.7V4 Q5 R68V4-S24 WeakPolarHBondContact CA-O 3.49Å; Q5-S24 WeakPolarHBondContact CB-OG 3.44Å; Q5-S24 PolarHBondContact N-O 3.18Å; Q5-S24 PolarHBondContact O-N 3.14Å; Q5-S24 PolarHBondContact O-OG 2.91Å; S24-R68 CarbonylContact C-O 3.56Å; S24-R68 VanDerWaalsContact CA-O 3.3Å; S24-R68 WeakPolarHBondContact CA-O 3.27Å
25F94.9Very high95Very high13 Ų1357.2 Ų57.26%0.05730%0.298CS..EExtended strand (participates in β ladder)trans-118.6139.6-170.1-47.6-61.9000110.6V4 C23 I27 T29 V32 R68 M89V4-F25 HydrophobicContact CG2-CD1 4.23Å; C23-F25 HydrophobicContact CB-CZ 4.47Å; C23-F25 WeakPolarHBondContact SG-CE1 3.41Å; F25-I27 VanDerWaalsContact C-N 3.28Å; F25-I27 WeakPolarHBondContact CB-O 3.35Å; F25-I27 PolarHBondContact O-N 2.8Å; F25-T29 HydrophobicContact CD2-CG2 3.97Å; F25-T29 HydrophobicContact CE2-CG2 4.27Å; F25-T29 HydrophobicContact CG-CG2 4.14Å; F25-V32 HydrophobicContact CE1-CG2 4.25Å; F25-V32 HydrophobicContact CE2-CG1 4.46Å; F25-V32 HydrophobicContact CE2-CG2 3.62Å; F25-V32 HydrophobicContact CZ-CB 4.2Å; F25-V32 HydrophobicContact CZ-CG1 3.7Å; F25-V32 HydrophobicContact CZ-CG2 3.44Å; F25-V32 VanDerWaalsContact CZ-CG2 3.44Å; F25-R68 HydrophobicContact CB-CB 4.14Å; F25-R68 VanDerWaalsContact CD2-C 3.4Å; F25-R68 HydrophobicContact CD2-CB 4.46Å; F25-R68 VanDerWaalsContact CD2-O 3.23Å; F25-R68 WeakPolarHBondContact CD2-O 3.32Å; F25-R68 PolarHBondContact N-O 2.94Å; F25-R68 WeakPolarHBondContact O-CB 3.45Å; F25-M89 HydrophobicContact CB-CE 3.93Å; F25-M89 HydrophobicContact CB-CG 4.49Å; F25-M89 HydrophobicContact CB-SD 3.43Å; F25-M89 WeakPolarHBondContact CB-SD 3.3Å; F25-M89 HydrophobicContact CD1-CE 3.87Å; F25-M89 HydrophobicContact CD1-CG 3.19Å; F25-M89 HydrophobicContact CD1-SD 3.3Å; F25-M89 WeakPolarHBondContact CD1-SD 3.48Å; F25-M89 HydrophobicContact CD2-SD 4.45Å; F25-M89 HydrophobicContact CE1-CG 3.43Å; F25-M89 VanDerWaalsContact CE1-CG 3.43Å; F25-M89 HydrophobicContact CE1-SD 4.14Å; F25-M89 HydrophobicContact CG-CE 4.29Å; F25-M89 HydrophobicContact CG-CG 3.92Å; F25-M89 HydrophobicContact CG-SD 3.48Å; F25-M89 WeakPolarHBondContact CG-SD 3.25Å; F25-M89 HydrophobicContact CZ-CG 4.38Å
26S93.5Very high95.1Very high55 Ų5552.3 Ų52.339%0.38528%0.275SS..SBendtrans-72.8-21.917565.90000113.4E1 Q3E1-S26 PolarHBondContact O-OG 2.9Å; Q3-S26 PolarHBondContact N-OG 3.1Å; Q3-S26 PolarHBondContact O-N 2.84Å
27I91.4Very high95.1Very high76 Ų7652.7 Ų52.739%0.3927%0.266SS..SBendtrans-127.6161.7-178.565.8172.8000111.3Q2 F25 M89Q2-I27 HydrophobicContact CB-CD1 4.5Å; Q2-I27 HydrophobicContact CG-CD1 3.83Å; Q2-I27 HydrophobicContact CG-CG1 4.16Å; F25-I27 VanDerWaalsContact C-N 3.28Å; F25-I27 WeakPolarHBondContact CB-O 3.35Å; F25-I27 PolarHBondContact O-N 2.8Å; I27-M89 HydrophobicContact CG1-CE 4.34Å; I27-M89 HydrophobicContact CG1-SD 4.27Å
28F89.4Confident95Very high132 Ų13255.1 Ų55.158%0.57927%0.271SS*.  trans-67.1132.9167.8-67.1-71000109.7I65 R68F28-I65 HydrophobicContact CD1-CG2 4.2Å; F28-I65 WeakPolarHBondContact CD1-O 3.31Å; F28-R68 HydrophobicContact CD1-CG 3.78Å; F28-R68 HydrophobicContact CE1-CG 3.91Å; F28-R68 HydrophobicContact CG-CG 4.41Å
29T87.4Confident94.8Very high22 Ų2255.6 Ų55.614%0.13528%0.279CS..  trans-136.7149.2176.6-177.50000110F25 Q31 V32 M89F25-T29 HydrophobicContact CD2-CG2 3.97Å; F25-T29 HydrophobicContact CE2-CG2 4.27Å; F25-T29 HydrophobicContact CG-CG2 4.14Å; T29-Q31 PolarHBondContact OG1-N 2.79Å; T29-Q31 PolarHBondContact OG1-O 2.83Å; T29-V32 HydrophobicContact CG2-CG2 3.69Å; T29-M89 HydrophobicContact CG2-CB 4.21Å; T29-M89 HydrophobicContact CG2-CG 3.69Å; T29-M89 HydrophobicContact CG2-SD 3.45Å; T29-M89 WeakPolarHBondContact CG2-SD 3.43Å
30N86.9Confident94.6Very high108 Ų10859.6 Ų59.658%0.57832%0.322SS*.SBendtrans-113.918.4167.866.7-15000111.4Y48 P50N30-Y48 PolarHBondContact O-OH 3.11Å; N30-P50 WeakPolarHBondContact O-CB 3.46Å
31Q89.9Confident94.4Very high108 Ų10856.6 Ų56.651%0.50532%0.315SS..  trans-128.4109.7176.3-63.3178.518.600105.2T29 M89T29-Q31 PolarHBondContact OG1-N 2.79Å; T29-Q31 PolarHBondContact OG1-O 2.83Å; Q31-M89 WeakPolarHBondContact CB-OXT 3.47Å; Q31-M89 WeakPolarHBondContact O-CA 3.23Å
32V95Very high94.3Very high0 Ų065.8 Ų65.80%035%0.349CS..  trans-137.7122.5175.8173.80000107.4F25 T29 Y48 N49 T63 A88F25-V32 HydrophobicContact CE1-CG2 4.25Å; F25-V32 HydrophobicContact CE2-CG1 4.46Å; F25-V32 HydrophobicContact CE2-CG2 3.62Å; F25-V32 HydrophobicContact CZ-CB 4.2Å; F25-V32 HydrophobicContact CZ-CG1 3.7Å; F25-V32 HydrophobicContact CZ-CG2 3.44Å; F25-V32 VanDerWaalsContact CZ-CG2 3.44Å; T29-V32 HydrophobicContact CG2-CG2 3.69Å; V32-Y48 WeakPolarHBondContact O-CD2 3.33Å; V32-N49 WeakPolarHBondContact CB-O 3.24Å; V32-N49 PolarHBondContact O-N 3Å; V32-T63 HydrophobicContact CB-CG2 4.44Å; V32-T63 HydrophobicContact CG2-CG2 3.99Å; V32-A88 WeakPolarHBondContact CA-O 3.37Å
33Q96.6Very high94.3Very high23 Ų2366.9 Ų66.911%0.10736%0.356CS..EExtended strand (participates in β ladder)trans-130126.8-174.8177.263.423.200110.1F35 S45 Y48 C87 A88Q33-F35 HydrophobicContact CB-CE2 3.87Å; Q33-F35 HydrophobicContact CB-CZ 4.21Å; Q33-F35 HydrophobicContact CG-CD1 4.33Å; Q33-F35 HydrophobicContact CG-CD2 3.8Å; Q33-F35 HydrophobicContact CG-CE1 3.83Å; Q33-F35 HydrophobicContact CG-CE2 3.23Å; Q33-F35 HydrophobicContact CG-CG 4.32Å; Q33-F35 HydrophobicContact CG-CZ 3.26Å; Q33-S45 VanDerWaalsContact NE2-CB 3.34Å; Q33-S45 PolarHBondContact NE2-OG 3.23Å; Q33-Y48 HydrophobicContact CB-CD2 4.38Å; Q33-Y48 VanDerWaalsContact OE1-N 3.16Å; Q33-C87 WeakPolarHBondContact O-CA 3.42Å; Q33-A88 PolarHBondContact N-O 3.25Å; Q33-A88 PolarHBondContact O-N 2.94Å
34W97.9Very high94.2Very high0 Ų069.9 Ų69.90%037%0.374CS..EExtended strand (participates in β ladder)trans-93.8135.7168-71.894000110.3L21 C23 L46 L47 S61 S70 L72 L86 C87L21-W34 HydrophobicContact CB-CH2 3.93Å; L21-W34 HydrophobicContact CB-CZ3 4.02Å; L21-W34 HydrophobicContact CD1-CZ3 4.34Å; C23-W34 HydrophobicContact CB-CH2 3.66Å; C23-W34 HydrophobicContact CB-CZ2 3.61Å; W34-L46 HydrophobicContact CB-CB 4.34Å; W34-L46 WeakPolarHBondContact O-CB 3.39Å; W34-L46 PolarHBondContact O-N 3.11Å; W34-L47 PolarHBondContact N-O 2.79Å; W34-L47 PolarHBondContact O-N 2.86Å; W34-S61 PolarHBondContact NE1-OG 2.68Å; W34-S70 PolarHBondContact NE1-OG 2.83Å; W34-L72 HydrophobicContact CB-CD2 4.27Å; W34-L72 HydrophobicContact CD2-CB 3.66Å; W34-L72 HydrophobicContact CD2-CD2 3.92Å; W34-L72 HydrophobicContact CD2-CG 4.27Å; W34-L72 HydrophobicContact CE3-CB 3.87Å; W34-L72 HydrophobicContact CE3-CD2 3.73Å; W34-L72 HydrophobicContact CE3-CG 4.41Å; W34-L72 HydrophobicContact CG-CB 4.24Å; W34-L72 HydrophobicContact CG-CD1 4.35Å; W34-L72 HydrophobicContact CG-CD2 4.16Å; W34-L72 HydrophobicContact CG-CG 4.5Å; W34-L72 HydrophobicContact CH2-CB 3.93Å; W34-L72 HydrophobicContact CZ2-CB 3.76Å; W34-L72 HydrophobicContact CZ3-CB 3.99Å; W34-L72 HydrophobicContact CZ3-CD2 4.33Å; W34-L86 CarbonylContact C-O 3.45Å; W34-L86 WeakPolarHBondContact CA-O 3.35Å; W34-C87 HydrophobicContact CD2-CB 4.17Å; W34-C87 HydrophobicContact CE3-CB 3.88Å; W34-C87 HydrophobicContact CH2-CB 3.94Å; W34-C87 HydrophobicContact CZ2-CB 4.18Å; W34-C87 HydrophobicContact CZ3-CB 3.77Å
35F97.8Very high94.2Very high52 Ų5271.5 Ų71.523%0.22839%0.385CS..EExtended strand (participates in β ladder)trans-123.1156.7176.1-62.1-88.3000110.7Q33 L43 V44 Y85 L86 A88Q33-F35 HydrophobicContact CB-CE2 3.87Å; Q33-F35 HydrophobicContact CB-CZ 4.21Å; Q33-F35 HydrophobicContact CG-CD1 4.33Å; Q33-F35 HydrophobicContact CG-CD2 3.8Å; Q33-F35 HydrophobicContact CG-CE1 3.83Å; Q33-F35 HydrophobicContact CG-CE2 3.23Å; Q33-F35 HydrophobicContact CG-CG 4.32Å; Q33-F35 HydrophobicContact CG-CZ 3.26Å; F35-L43 HydrophobicContact CB-CD1 3.61Å; F35-L43 HydrophobicContact CB-CD2 4.23Å; F35-L43 HydrophobicContact CB-CG 3.86Å; F35-L43 HydrophobicContact CD1-CD2 3.87Å; F35-L43 HydrophobicContact CD1-CG 3.87Å; F35-L43 HydrophobicContact CE1-CD2 4.32Å; F35-L43 HydrophobicContact CG-CD1 4.28Å; F35-L43 HydrophobicContact CG-CD2 4Å; F35-L43 HydrophobicContact CG-CG 4.05Å; F35-V44 CarbonylContact C-O 3.55Å; F35-V44 VanDerWaalsContact CA-O 3.23Å; F35-V44 WeakPolarHBondContact CA-O 3.39Å; F35-Y85 WeakPolarHBondContact O-CA 3.16Å; F35-L86 HydrophobicContact CB-CB 4.29Å; F35-L86 PolarHBondContact N-O 3.33Å; F35-L86 PolarHBondContact O-N 2.84Å; F35-A88 HydrophobicContact CD2-CB 4.43Å; F35-A88 HydrophobicContact CE2-CB 3.87Å
36Y97.5Very high94.2Very high22 Ų2273 Ų739%0.08639%0.394CS..EExtended strand (participates in β ladder)trans-131.5141.6174.2167.5-109.7000110.6R38 V44 L46 T80 S82 T84 Y85Y36-R38 HydrophobicContact CE1-CG 3.57Å; Y36-R38 WeakPolarHBondContact OH-CG 3.2Å; Y36-V44 PolarHBondContact N-O 3.48Å; Y36-V44 PolarHBondContact O-N 2.72Å; Y36-L46 VanDerWaalsContact CB-CG 3.45Å; Y36-L46 HydrophobicContact CG-CD2 4.39Å; Y36-T80 PolarHBondContact OH-O 2.95Å; Y36-S82 PolarHBondContact OH-O 3.37Å; Y36-T84 CarbonylContact C-O 3.56Å; Y36-T84 WeakPolarHBondContact CA-O 3.46Å; Y36-Y85 HydrophobicContact CD2-CD1 4.27Å; Y36-Y85 HydrophobicContact CD2-CD2 4.22Å; Y36-Y85 AromaticContact CD2-CE1 3.85Å; Y36-Y85 HydrophobicContact CD2-CE1 3.85Å; Y36-Y85 AromaticContact CD2-CE2 3.78Å; Y36-Y85 HydrophobicContact CD2-CE2 3.78Å; Y36-Y85 HydrophobicContact CD2-CG 4.43Å; Y36-Y85 AromaticContact CD2-CZ 3.56Å; Y36-Y85 AromaticContact CE2-CE2 3.97Å; Y36-Y85 HydrophobicContact CE2-CE2 3.97Å; Y36-Y85 AromaticContact CE2-CZ 3.9Å; Y36-Y85 HydrophobicContact CG-CE1 4.45Å
37Q97.7Very high94.3Very high69 Ų6970.6 Ų70.632%0.32238%0.376SS..EExtended strand (participates in β ladder)trans-133.1118.5175.3-173.2172.827.700109.4G41 L43 G83 T84Q37-G41 WeakPolarHBondContact CG-O 3.37Å; Q37-G41 PolarHBondContact NE2-O 2.76Å; Q37-L43 HydrophobicContact CB-CD1 4.07Å; Q37-G83 WeakPolarHBondContact O-CA 3.49Å; Q37-T84 PolarHBondContact N-O 2.75Å; Q37-T84 PolarHBondContact O-N 2.94Å
38R95.6Very high94.6Very high149 Ų14971.9 Ų71.956%0.56238%0.377SS*.  trans-65.1152166.4-81179.4-1721624.9110.3Y36 G40 G41Y36-R38 HydrophobicContact CE1-CG 3.57Å; Y36-R38 WeakPolarHBondContact OH-CG 3.2Å; R38-G40 PolarHBondContact O-N 2.73Å; R38-G40 VanDerWaalsContact O-N 3.14Å; R38-G41 WeakPolarHBondContact O-CA 3.37Å; R38-G41 PolarHBondContact O-N 3.24Å
39P94Very high94.9Very high110 Ų11065.8 Ų65.871%0.71435%0.351SS*.THydrogen-bonded Turntrans-50.1122168-25.734.9000111.1G41P39-G41 PolarHBondContact O-N 2.88Å
40G93.5Very high95.2Very high94 Ų9466.4 Ų66.497%0.96936%0.355SS*.THydrogen-bonded Turntrans69.53.4-17700000115.9R38R38-G40 PolarHBondContact O-N 2.73Å; R38-G40 VanDerWaalsContact O-N 3.14Å
41G94.2Very high95.7Very high29 Ų2964.4 Ų64.430%0.29935%0.35SS..PPolyproline II helixtrans-92.2173.3-179.100000113.8Q37 R38 P39Q37-G41 WeakPolarHBondContact CG-O 3.37Å; Q37-G41 PolarHBondContact NE2-O 2.76Å; R38-G41 WeakPolarHBondContact O-CA 3.37Å; R38-G41 PolarHBondContact O-N 3.24Å; P39-G41 PolarHBondContact O-N 2.88Å
42R95.9Very high96Very high214 Ų21461.1 Ų61.181%0.80834%0.344SS*.PPolyproline II helixtrans-77.4156.417067.7-178.8179.3-174.7-0.1111.6V44R42-V44 HydrophobicContact CG-CG2 4.31Å
43L96.4Very high96.1Very high84 Ų8465.8 Ų65.844%0.4437%0.373SS..EExtended strand (participates in β ladder)trans-68.2130.9170.4-164.768.2000110.1F35 Q37 L86F35-L43 HydrophobicContact CB-CD1 3.61Å; F35-L43 HydrophobicContact CB-CD2 4.23Å; F35-L43 HydrophobicContact CB-CG 3.86Å; F35-L43 HydrophobicContact CD1-CD2 3.87Å; F35-L43 HydrophobicContact CD1-CG 3.87Å; F35-L43 HydrophobicContact CE1-CD2 4.32Å; F35-L43 HydrophobicContact CG-CD1 4.28Å; F35-L43 HydrophobicContact CG-CD2 4Å; F35-L43 HydrophobicContact CG-CG 4.05Å; Q37-L43 HydrophobicContact CB-CD1 4.07Å; L43-L86 HydrophobicContact CD1-CD1 3.71Å
44V96.7Very high96.1Very high64 Ų6469.1 Ų69.139%0.38839%0.387SS..EExtended strand (participates in β ladder)trans-120.6132.8-179179.30000109.2F35 Y36 R42 L46F35-V44 CarbonylContact C-O 3.55Å; F35-V44 VanDerWaalsContact CA-O 3.23Å; F35-V44 WeakPolarHBondContact CA-O 3.39Å; Y36-V44 PolarHBondContact N-O 3.48Å; Y36-V44 PolarHBondContact O-N 2.72Å; R42-V44 HydrophobicContact CG-CG2 4.31Å; V44-L46 PolarHBondContact O-N 2.88Å
45S95.9Very high96.1Very high77 Ų7775.6 Ų75.654%0.53842%0.418SS..EExtended strand (participates in β ladder)trans-65.1116.3169.9160.30000109.5Q33Q33-S45 VanDerWaalsContact NE2-CB 3.34Å; Q33-S45 PolarHBondContact NE2-OG 3.23Å
46L95.6Very high96Very high45 Ų4576.4 Ų76.424%0.23643%0.429CS..EExtended strand (participates in β ladder)trans-85.9-61173.1-74.7-180000111.2W34 Y36 V44 L59 L72 Y85W34-L46 HydrophobicContact CB-CB 4.34Å; W34-L46 WeakPolarHBondContact O-CB 3.39Å; W34-L46 PolarHBondContact O-N 3.11Å; Y36-L46 VanDerWaalsContact CB-CG 3.45Å; Y36-L46 HydrophobicContact CG-CD2 4.39Å; V44-L46 PolarHBondContact O-N 2.88Å; L46-L59 HydrophobicContact CD1-CD1 4.32Å; L46-L59 HydrophobicContact CD2-CD1 3.95Å; L46-L72 HydrophobicContact CD1-CD2 4.1Å; L46-Y85 HydrophobicContact CD1-CD1 3.58Å; L46-Y85 HydrophobicContact CD1-CE1 3.61Å
47L96.2Very high95.9Very high4 Ų478.4 Ų78.42%0.02146%0.457CS..EExtended strand (participates in β ladder)trans-157114.9-164.3-154.9157.5000111W34 N49 K54 L59W34-L47 PolarHBondContact N-O 2.79Å; W34-L47 PolarHBondContact O-N 2.86Å; L47-N49 HydrophobicContact CD2-CB 3.57Å; L47-K54 HydrophobicContact CD2-CB 3.97Å; L47-K54 HydrophobicContact CD2-CD 3.68Å; L47-K54 HydrophobicContact CD2-CG 3.82Å; L47-K54 HydrophobicContact CG-CD 4.4Å; L47-K54 HydrophobicContact CG-CG 4.42Å; L47-L59 HydrophobicContact CD1-CB 4.44Å
48Y96.6Very high95.8Very high103 Ų10378.3 Ų78.340%0.40445%0.454SS..EExtended strand (participates in β ladder)trans-85.1115.8169-175-112.7000109.7N30 V32 Q33 P50 K54N30-Y48 PolarHBondContact O-OH 3.11Å; V32-Y48 WeakPolarHBondContact O-CD2 3.33Å; Q33-Y48 HydrophobicContact CB-CD2 4.38Å; Q33-Y48 VanDerWaalsContact OE1-N 3.16Å; Y48-P50 HydrophobicContact CE1-CB 4.37Å; Y48-P50 HydrophobicContact CE1-CG 3.91Å; Y48-K54 VanDerWaalsContact O-CD 3.27Å; Y48-K54 WeakPolarHBondContact O-CD 3.49Å; Y48-K54 PolarHBondContact O-NZ 3Å
49N96.3Very high95.9Very high5 Ų572.6 Ų72.63%0.02743%0.434CS..  trans-141.487.8179.9-176.719.6000112V32 L47 S51 G52 K54 S61 T63V32-N49 WeakPolarHBondContact CB-O 3.24Å; V32-N49 PolarHBondContact O-N 3Å; L47-N49 HydrophobicContact CD2-CB 3.57Å; N49-S51 VanDerWaalsContact C-N 3.3Å; N49-S51 PolarHBondContact O-N 2.92Å; N49-S51 PolarHBondContact OD1-N 3.29Å; N49-S51 PolarHBondContact OD1-O 3.29Å; N49-G52 PolarHBondContact ND2-O 3.27Å; N49-K54 HydrophobicContact CB-CB 4.21Å; N49-S61 VanDerWaalsContact ND2-C 3.33Å; N49-S61 PolarHBondContact ND2-O 2.86Å; N49-S61 PolarHBondContact ND2-OG 3.5Å; N49-T63 WeakPolarHBondContact O-CB 3.38Å; N49-T63 PolarHBondContact O-OG1 3.03Å
50P94.3Very high96.1Very high35 Ų3568.8 Ų68.823%0.22741%0.409CS..SBendtrans-71.1-23.5-176.731.1-37.1000113.4N30 Y48 T63 I65N30-P50 WeakPolarHBondContact O-CB 3.46Å; Y48-P50 HydrophobicContact CE1-CB 4.37Å; Y48-P50 HydrophobicContact CE1-CG 3.91Å; P50-T63 WeakPolarHBondContact O-CG2 3.31Å; P50-I65 WeakPolarHBondContact O-CG1 3.06Å
51S95.4Very high96.3Very high66 Ų6664.3 Ų64.346%0.46236%0.363SS..SBendtrans-166.6149.3-17865.40000112.3N49N49-S51 VanDerWaalsContact C-N 3.3Å; N49-S51 PolarHBondContact O-N 2.92Å; N49-S51 PolarHBondContact OD1-N 3.29Å; N49-S51 PolarHBondContact OD1-O 3.29Å
52G96.4Very high96.5Very high38 Ų3864.9 Ų64.939%0.39236%0.361SS..EExtended strand (participates in β ladder)trans73.4-157.6177.500000111.5N49 T62 T63N49-G52 PolarHBondContact ND2-O 3.27Å; G52-T62 CarbonylContact O-C 3.55Å; G52-T62 WeakPolarHBondContact O-CA 3.46Å; G52-T63 PolarHBondContact N-O 3.06Å; G52-T63 PolarHBondContact O-N 3.46Å
53T97.7Very high96.6Very high98 Ų9855 Ų5560%0.60132%0.324SS*.EExtended strand (participates in β ladder)trans-109133-176.9-59.90000110.5T60 S61 T62T53-T60 HydrophobicContact CG2-CG2 3.64Å; T53-S61 CarbonylContact C-O 3.59Å; T53-S61 VanDerWaalsContact CA-O 3.32Å; T53-S61 WeakPolarHBondContact CA-O 3.46Å; T53-T62 PolarHBondContact OG1-OG1 3.21Å
54K97.3Very high96.6Very high94 Ų9453.5 Ų53.541%0.40932%0.318SS..EExtended strand (participates in β ladder)trans-133.1130.4175.1178.9172.1172.5-178.90109.8L47 Y48 N49 S61L47-K54 HydrophobicContact CD2-CB 3.97Å; L47-K54 HydrophobicContact CD2-CD 3.68Å; L47-K54 HydrophobicContact CD2-CG 3.82Å; L47-K54 HydrophobicContact CG-CD 4.4Å; L47-K54 HydrophobicContact CG-CG 4.42Å; Y48-K54 VanDerWaalsContact O-CD 3.27Å; Y48-K54 WeakPolarHBondContact O-CD 3.49Å; Y48-K54 PolarHBondContact O-NZ 3Å; N49-K54 HydrophobicContact CB-CB 4.21Å; K54-S61 PolarHBondContact N-O 2.91Å; K54-S61 PolarHBondContact O-N 2.77Å
55Q97Very high96.4Very high136 Ų13653.5 Ų53.564%0.63632%0.315SS*.EExtended strand (participates in β ladder)trans-114.8141.1-178.5-173.7174.9-3.700110.6G57 L59Q55-G57 PolarHBondContact NE2-O 3.2Å; Q55-L59 CarbonylContact C-O 3.57Å; Q55-L59 WeakPolarHBondContact CA-O 3.43Å
56S95.5Very high96.2Very high68 Ų6858.8 Ų58.848%0.47633%0.329SS..EExtended strand (participates in β ladder)trans-142.296.4173.8-179.20000109R58 L59S56-R58 PolarHBondContact O-N 2.89Å; S56-L59 PolarHBondContact N-O 2.87Å; S56-L59 PolarHBondContact O-N 2.91Å; S56-L59 VanDerWaalsContact O-N 3.11Å
57G95.4Very high96.2Very high65 Ų6562.4 Ų62.467%0.6734%0.344SS*.THydrogen-bonded Turntrans62.3-121.7-174.400000111.7Q55 L59Q55-G57 PolarHBondContact NE2-O 3.2Å; G57-L59 VanDerWaalsContact C-N 3.3Å
58R95.9Very high96.2Very high67 Ų6766.9 Ų66.925%0.25336%0.361SS..THydrogen-bonded Turntrans-79.6-9.9178-64.1-174.5-63.3110.93.3113.8S56 I74 S75 S76 D81S56-R58 PolarHBondContact O-N 2.89Å; R58-I74 WeakPolarHBondContact O-CA 2.97Å; R58-S75 WeakPolarHBondContact CB-O 2.93Å; R58-S75 WeakPolarHBondContact CD-O 3.45Å; R58-S75 PolarHBondContact NH1-O 3.07Å; R58-S75 PolarHBondContact O-N 2.93Å; R58-S75 PolarHBondContact O-OG 2.95Å; R58-S76 PolarHBondContact NH1-O 3.44Å; R58-D81 IonicContact CZ-OD1 3.8Å; R58-D81 IonicContact CZ-OD2 3.3Å; R58-D81 VanDerWaalsContact CZ-OD2 3.3Å; R58-D81 IonicContact NH1-OD1 3.87Å; R58-D81 IonicContact NH1-OD2 2.68Å; R58-D81 PolarHBondContact NH1-OD2 3.48Å; R58-D81 VanDerWaalsContact NH2-CG 3.32Å; R58-D81 IonicContact NH2-OD1 2.83Å; R58-D81 PolarHBondContact NH2-OD1 2.82Å; R58-D81 IonicContact NH2-OD2 3Å; R58-D81 PolarHBondContact NH2-OD2 2.84Å
59L97.2Very high96.2Very high28 Ų2867.1 Ų67.115%0.14736%0.361CS..EExtended strand (participates in β ladder)trans-94.5128.1-179.5-57.6178.1000110.2L46 L47 Q55 S56 G57 L72 H73 I74L46-L59 HydrophobicContact CD1-CD1 4.32Å; L46-L59 HydrophobicContact CD2-CD1 3.95Å; L47-L59 HydrophobicContact CD1-CB 4.44Å; Q55-L59 CarbonylContact C-O 3.57Å; Q55-L59 WeakPolarHBondContact CA-O 3.43Å; S56-L59 PolarHBondContact N-O 2.87Å; S56-L59 PolarHBondContact O-N 2.91Å; S56-L59 VanDerWaalsContact O-N 3.11Å; G57-L59 VanDerWaalsContact C-N 3.3Å; L59-L72 HydrophobicContact CB-CD1 4.37Å; L59-H73 CarbonylContact C-O 3.53Å; L59-H73 WeakPolarHBondContact CA-O 3.48Å; L59-I74 HydrophobicContact CD2-CB 4.08Å; L59-I74 HydrophobicContact CD2-CD1 4Å; L59-I74 HydrophobicContact CD2-CG1 3.58Å; L59-I74 HydrophobicContact CD2-CG2 3.87Å
60T98.3Very high96.3Very high30 Ų3067 Ų6718%0.18436%0.361CS..EExtended strand (participates in β ladder)trans-124.9118.7171.4-600000108.6T53 H73T53-T60 HydrophobicContact CG2-CG2 3.64Å; T60-H73 PolarHBondContact N-O 3.02Å; T60-H73 PolarHBondContact O-N 2.79Å
61S98.1Very high96.5Very high0 Ų066.6 Ų66.60%036%0.359CS..EExtended strand (participates in β ladder)trans-101.4138.7170.3177.50000110.1W34 N49 T53 K54 S71W34-S61 PolarHBondContact NE1-OG 2.68Å; N49-S61 VanDerWaalsContact ND2-C 3.33Å; N49-S61 PolarHBondContact ND2-O 2.86Å; N49-S61 PolarHBondContact ND2-OG 3.5Å; T53-S61 CarbonylContact C-O 3.59Å; T53-S61 VanDerWaalsContact CA-O 3.32Å; T53-S61 WeakPolarHBondContact CA-O 3.46Å; K54-S61 PolarHBondContact N-O 2.91Å; K54-S61 PolarHBondContact O-N 2.77Å; S61-S71 CarbonylContact C-O 3.56Å; S61-S71 WeakPolarHBondContact CA-O 3.3Å; S61-S71 PolarHBondContact OG-O 3.48Å
62T98Very high96.6Very high42 Ų4263.5 Ų63.526%0.25834%0.337SS..EExtended strand (participates in β ladder)trans-128122.9171.9-65.50000109.5G52 T53 V64 S70 S71G52-T62 CarbonylContact O-C 3.55Å; G52-T62 WeakPolarHBondContact O-CA 3.46Å; T53-T62 PolarHBondContact OG1-OG1 3.21Å; T62-V64 HydrophobicContact CG2-CG2 4.29Å; T62-S70 CarbonylContact O-C 3.5Å; T62-S70 VanDerWaalsContact O-CA 3.22Å; T62-S70 WeakPolarHBondContact O-CA 3.23Å; T62-S70 PolarHBondContact O-OG 2.97Å; T62-S71 PolarHBondContact N-O 2.83Å; T62-S71 PolarHBondContact O-N 2.82Å
63T97.7Very high96.7Very high5 Ų564.4 Ų64.43%0.03133%0.331CS..EExtended strand (participates in β ladder)trans-117.6119.3-179.8-61.30000110V32 N49 P50 G52 R69 S70V32-T63 HydrophobicContact CB-CG2 4.44Å; V32-T63 HydrophobicContact CG2-CG2 3.99Å; N49-T63 WeakPolarHBondContact O-CB 3.38Å; N49-T63 PolarHBondContact O-OG1 3.03Å; P50-T63 WeakPolarHBondContact O-CG2 3.31Å; G52-T63 PolarHBondContact N-O 3.06Å; G52-T63 PolarHBondContact O-N 3.46Å; T63-R69 WeakPolarHBondContact CA-O 3.41Å; T63-S70 WeakPolarHBondContact OG1-CB 3.48Å; T63-S70 PolarHBondContact OG1-OG 2.84Å
64V96.3Very high96.7Very high54 Ų5459.9 Ų59.933%0.32730%0.303SS..EExtended strand (participates in β ladder)trans-108.892.9177.1-170.90000108.2T62 K66 E67 R68 R69T62-V64 HydrophobicContact CG2-CG2 4.29Å; V64-K66 VanDerWaalsContact C-N 3.27Å; V64-K66 PolarHBondContact O-N 2.99Å; V64-E67 HydrophobicContact CB-CB 4.13Å; V64-E67 HydrophobicContact CB-CG 4.3Å; V64-E67 HydrophobicContact CG1-CB 3.98Å; V64-E67 HydrophobicContact CG1-CG 3.69Å; V64-E67 PolarHBondContact O-N 2.83Å; V64-R68 PolarHBondContact O-N 2.82Å; V64-R68 VanDerWaalsContact O-N 3.13Å; V64-R69 PolarHBondContact N-O 2.78Å; V64-R69 PolarHBondContact O-N 2.03Å
65I92.6Very high96.7Very high64 Ų6457.3 Ų57.333%0.32830%0.297SS..G310 helixtrans-53.3-44.5-174.9-66.1173.7000111.6F28 P50 E67 R68F28-I65 HydrophobicContact CD1-CG2 4.2Å; F28-I65 WeakPolarHBondContact CD1-O 3.31Å; P50-I65 WeakPolarHBondContact O-CG1 3.06Å; I65-E67 PolarHBondContact O-N 2.84Å; I65-R68 PolarHBondContact O-N 3.49Å
66K93Very high96.8Very high187 Ų18753.5 Ų53.581%0.81329%0.285SS*.G310 helixtrans-60-33.1-178.3-69.5-174.6178.7179.70112.6V64 R68V64-K66 VanDerWaalsContact C-N 3.27Å; V64-K66 PolarHBondContact O-N 2.99Å; K66-R68 VanDerWaalsContact C-N 3.33Å
67E95.4Very high96.8Very high122 Ų12250.6 Ų50.657%0.5727%0.265SS*.G310 helixtrans-87.8-6.7178.1-65.5178-158.500112.4V64 I65 R69V64-E67 HydrophobicContact CB-CB 4.13Å; V64-E67 HydrophobicContact CB-CG 4.3Å; V64-E67 HydrophobicContact CG1-CB 3.98Å; V64-E67 HydrophobicContact CG1-CG 3.69Å; V64-E67 PolarHBondContact O-N 2.83Å; I65-E67 PolarHBondContact O-N 2.84Å; E67-R69 HydrophobicContact CB-CB 4.3Å; E67-R69 HydrophobicContact CB-CG 4.39Å; E67-R69 WeakPolarHBondContact O-CG 3.36Å; E67-R69 PolarHBondContact O-N 2.76Å
68R95.6Very high96.9Very high98 Ų9851.7 Ų51.737%0.3725%0.253SS..THydrogen-bonded Turntrans52.544.1-172.9-64179.2-68-102.4-2.2111S24 F25 F28 V64 I65 K66S24-R68 CarbonylContact C-O 3.56Å; S24-R68 VanDerWaalsContact CA-O 3.3Å; S24-R68 WeakPolarHBondContact CA-O 3.27Å; F25-R68 HydrophobicContact CB-CB 4.14Å; F25-R68 VanDerWaalsContact CD2-C 3.4Å; F25-R68 HydrophobicContact CD2-CB 4.46Å; F25-R68 VanDerWaalsContact CD2-O 3.23Å; F25-R68 WeakPolarHBondContact CD2-O 3.32Å; F25-R68 PolarHBondContact N-O 2.94Å; F25-R68 WeakPolarHBondContact O-CB 3.45Å; F28-R68 HydrophobicContact CD1-CG 3.78Å; F28-R68 HydrophobicContact CE1-CG 3.91Å; F28-R68 HydrophobicContact CG-CG 4.41Å; V64-R68 PolarHBondContact O-N 2.82Å; V64-R68 VanDerWaalsContact O-N 3.13Å; I65-R68 PolarHBondContact O-N 3.49Å; K66-R68 VanDerWaalsContact C-N 3.33Å
69R97.1Very high96.8Very high107 Ų10755 Ų5540%0.40427%0.274SS..EExtended strand (participates in β ladder)trans-133.8145.8-177.7-71.7175.381.7135.83.9111.8C23 T63 V64 E67C23-R69 CarbonylContact O-C 3.48Å; C23-R69 VanDerWaalsContact O-CA 3.25Å; C23-R69 WeakPolarHBondContact O-CA 3.47Å; T63-R69 WeakPolarHBondContact CA-O 3.41Å; V64-R69 PolarHBondContact N-O 2.78Å; V64-R69 PolarHBondContact O-N 2.03Å; E67-R69 HydrophobicContact CB-CB 4.3Å; E67-R69 HydrophobicContact CB-CG 4.39Å; E67-R69 WeakPolarHBondContact O-CG 3.36Å; E67-R69 PolarHBondContact O-N 2.76Å
70S97.4Very high96.6Very high4 Ų457.5 Ų57.53%0.02829%0.29CS..EExtended strand (participates in β ladder)trans-130.5144.9165.7-169.90000109.1C23 W34 T62 T63C23-S70 PolarHBondContact N-O 3.2Å; C23-S70 PolarHBondContact O-N 3.29Å; C23-S70 VanDerWaalsContact O-O 3.11Å; W34-S70 PolarHBondContact NE1-OG 2.83Å; T62-S70 CarbonylContact O-C 3.5Å; T62-S70 VanDerWaalsContact O-CA 3.22Å; T62-S70 WeakPolarHBondContact O-CA 3.23Å; T62-S70 PolarHBondContact O-OG 2.97Å; T63-S70 WeakPolarHBondContact OG1-CB 3.48Å; T63-S70 PolarHBondContact OG1-OG 2.84Å
71S98.2Very high96.5Very high26 Ų2657.2 Ų57.218%0.18229%0.288CS..EExtended strand (participates in β ladder)trans-118.7153.6167.961.10000110.4L21 S61 T62L21-S71 CarbonylContact O-C 3.55Å; L21-S71 WeakPolarHBondContact O-CA 3.43Å; L21-S71 WeakPolarHBondContact O-CB 3.45Å; S61-S71 CarbonylContact C-O 3.56Å; S61-S71 WeakPolarHBondContact CA-O 3.3Å; S61-S71 PolarHBondContact OG-O 3.48Å; T62-S71 PolarHBondContact N-O 2.83Å; T62-S71 PolarHBondContact O-N 2.82Å
72L98.5Very high96.4Very high0 Ų061.2 Ų61.20%032%0.316CS..EExtended strand (participates in β ladder)trans-125.8115.3169.1-17969.1000107.9L21 W34 L46 L59 Y85L21-L72 HydrophobicContact CB-CB 4.41Å; L21-L72 HydrophobicContact CD1-CD2 4.39Å; L21-L72 PolarHBondContact N-O 3.2Å; L21-L72 PolarHBondContact O-N 2.99Å; W34-L72 HydrophobicContact CB-CD2 4.27Å; W34-L72 HydrophobicContact CD2-CB 3.66Å; W34-L72 HydrophobicContact CD2-CD2 3.92Å; W34-L72 HydrophobicContact CD2-CG 4.27Å; W34-L72 HydrophobicContact CE3-CB 3.87Å; W34-L72 HydrophobicContact CE3-CD2 3.73Å; W34-L72 HydrophobicContact CE3-CG 4.41Å; W34-L72 HydrophobicContact CG-CB 4.24Å; W34-L72 HydrophobicContact CG-CD1 4.35Å; W34-L72 HydrophobicContact CG-CD2 4.16Å; W34-L72 HydrophobicContact CG-CG 4.5Å; W34-L72 HydrophobicContact CH2-CB 3.93Å; W34-L72 HydrophobicContact CZ2-CB 3.76Å; W34-L72 HydrophobicContact CZ3-CB 3.99Å; W34-L72 HydrophobicContact CZ3-CD2 4.33Å; L46-L72 HydrophobicContact CD1-CD2 4.1Å; L59-L72 HydrophobicContact CB-CD1 4.37Å; L72-Y85 HydrophobicContact CD2-CD1 3.66Å; L72-Y85 HydrophobicContact CD2-CE1 4.19Å
73H98.4Very high96.3Very high57 Ų5760.6 Ų60.626%0.26432%0.318SS..EExtended strand (participates in β ladder)trans-103.1133.9175.3177.9-93.3000109.7A19 L59 T60A19-H73 CarbonylContact O-C 3.58Å; A19-H73 VanDerWaalsContact O-CA 3.31Å; A19-H73 WeakPolarHBondContact O-CA 3.21Å; A19-H73 PolarHBondContact O-CD2 2.89Å; L59-H73 CarbonylContact C-O 3.53Å; L59-H73 WeakPolarHBondContact CA-O 3.48Å; T60-H73 PolarHBondContact N-O 3.02Å; T60-H73 PolarHBondContact O-N 2.79Å
74I98Very high96.3Very high4 Ų464 Ų642%0.02134%0.339CS..EExtended strand (participates in β ladder)trans-116.8112.1175.3-44.5-174.4000106.7N18 A19 R58 L59 Y85N18-I74 CarbonylContact C-O 3.55Å; N18-I74 VanDerWaalsContact CA-O 3.31Å; N18-I74 WeakPolarHBondContact CA-O 3.22Å; A19-I74 HydrophobicContact CB-CB 3.98Å; A19-I74 HydrophobicContact CB-CD1 4.33Å; A19-I74 HydrophobicContact CB-CG1 4.17Å; A19-I74 PolarHBondContact N-O 2.74Å; A19-I74 PolarHBondContact O-N 3.38Å; R58-I74 WeakPolarHBondContact O-CA 2.97Å; L59-I74 HydrophobicContact CD2-CB 4.08Å; L59-I74 HydrophobicContact CD2-CD1 4Å; L59-I74 HydrophobicContact CD2-CG1 3.58Å; L59-I74 HydrophobicContact CD2-CG2 3.87Å; I74-Y85 HydrophobicContact CD1-CD1 4.35Å; I74-Y85 HydrophobicContact CD1-CE1 3.55Å; I74-Y85 HydrophobicContact CD1-CE2 4.17Å; I74-Y85 VanDerWaalsContact CD1-CZ 3.46Å; I74-Y85 WeakPolarHBondContact CD1-OH 3.35Å
75S97.9Very high96.4Very high39 Ų3963 Ų6327%0.27333%0.33SS..SBendtrans-83.4144175.260.70000111.4N18 R58 S77N18-S75 WeakPolarHBondContact OD1-CA 3Å; R58-S75 WeakPolarHBondContact CB-O 2.93Å; R58-S75 WeakPolarHBondContact CD-O 3.45Å; R58-S75 PolarHBondContact NH1-O 3.07Å; R58-S75 PolarHBondContact O-N 2.93Å; R58-S75 PolarHBondContact O-OG 2.95Å; S75-S77 PolarHBondContact O-N 2.81Å
76S97.5Very high96.6Very high57 Ų5763.1 Ų63.140%0.39933%0.33SS..SBendtrans48.565.3174.9-167.80000111.6N18 R58N18-S76 PolarHBondContact OD1-N 2.79Å; R58-S76 PolarHBondContact NH1-O 3.44Å
77S96.8Very high96.7Very high7 Ų754.6 Ų54.65%0.04929%0.294CS..  trans-58141.4-173.8-58.30000111.4L13 E15 A16 E17 S75L13-S77 VanDerWaalsContact CD1-CB 3.45Å; E15-S77 WeakPolarHBondContact CA-O 3.44Å; E15-S77 WeakPolarHBondContact CG-O 3.22Å; A16-S77 PolarHBondContact N-O 2.96Å; E17-S77 WeakPolarHBondContact O-CB 3.42Å; E17-S77 PolarHBondContact O-N 2.92Å; E17-S77 PolarHBondContact O-OG 2.9Å; S75-S77 PolarHBondContact O-N 2.81Å
78Q96.3Very high96.7Very high87 Ų8750.5 Ų50.541%0.40728%0.281SS..  trans-114.1157.9178.2-64.9179.26.700110T80 D81Q78-T80 PolarHBondContact O-N 3.19Å; Q78-T80 VanDerWaalsContact O-N 3.1Å; Q78-D81 PolarHBondContact N-OD2 2.79Å; Q78-D81 VanDerWaalsContact O-CB 3.29Å; Q78-D81 WeakPolarHBondContact O-CB 3.36Å; Q78-D81 PolarHBondContact O-N 2.91Å
79I94.1Very high96.4Very high137 Ų13748 Ų4870%0.70327%0.274SS*.G310 helixtrans-54.6-34.1175.6-61.4176.6000111.4D81 S82I79-D81 PolarHBondContact O-N 3.33Å; I79-S82 VanDerWaalsContact O-CB 3.3Å; I79-S82 WeakPolarHBondContact O-CB 3.18Å; I79-S82 PolarHBondContact O-N 2.83Å
80T93.7Very high96.4Very high80 Ų8045.1 Ų45.149%0.49127%0.268SS..G310 helixtrans-69-14.6178.554.70000114.3Y36 Q78 S82Y36-T80 PolarHBondContact OH-O 2.95Å; Q78-T80 PolarHBondContact O-N 3.19Å; Q78-T80 VanDerWaalsContact O-N 3.1Å; T80-S82 VanDerWaalsContact C-N 3.28Å
81D95.3Very high96.4Very high25 Ų2547.3 Ų47.313%0.13428%0.281CS..G310 helixtrans-81.6-9.9175.7-59.8-33.7000112R58 Q78 I79 G83 Y85R58-D81 IonicContact CZ-OD1 3.8Å; R58-D81 IonicContact CZ-OD2 3.3Å; R58-D81 VanDerWaalsContact CZ-OD2 3.3Å; R58-D81 IonicContact NH1-OD1 3.87Å; R58-D81 IonicContact NH1-OD2 2.68Å; R58-D81 PolarHBondContact NH1-OD2 3.48Å; R58-D81 VanDerWaalsContact NH2-CG 3.32Å; R58-D81 IonicContact NH2-OD1 2.83Å; R58-D81 PolarHBondContact NH2-OD1 2.82Å; R58-D81 IonicContact NH2-OD2 3Å; R58-D81 PolarHBondContact NH2-OD2 2.84Å; Q78-D81 PolarHBondContact N-OD2 2.79Å; Q78-D81 VanDerWaalsContact O-CB 3.29Å; Q78-D81 WeakPolarHBondContact O-CB 3.36Å; Q78-D81 PolarHBondContact O-N 2.91Å; I79-D81 PolarHBondContact O-N 3.33Å; D81-G83 PolarHBondContact O-N 3.36Å; D81-Y85 VanDerWaalsContact O-CE2 3.24Å; D81-Y85 WeakPolarHBondContact O-CE2 3.43Å; D81-Y85 PolarHBondContact O-OH 3.02Å
82S96Very high96.3Very high83 Ų8348.4 Ų48.458%0.5829%0.286SS*.  trans-60.7131.8176.6-171.20000111.1Y36 I79 T80Y36-S82 PolarHBondContact OH-O 3.37Å; I79-S82 VanDerWaalsContact O-CB 3.3Å; I79-S82 WeakPolarHBondContact O-CB 3.18Å; I79-S82 PolarHBondContact O-N 2.83Å; T80-S82 VanDerWaalsContact C-N 3.28Å
83G96.7Very high96.1Very high30 Ų3051.3 Ų51.331%0.30930%0.303SS..SBendtrans155.7-167.5-178.400000112Q37 D81Q37-G83 WeakPolarHBondContact O-CA 3.49Å; D81-G83 PolarHBondContact O-N 3.36Å
84T97.5Very high96Very high76 Ų7650.9 Ų50.947%0.46631%0.305SS..EExtended strand (participates in β ladder)trans-100.4128.9179.8-52.50000109.7Y36 Q37 L86Y36-T84 CarbonylContact C-O 3.56Å; Y36-T84 WeakPolarHBondContact CA-O 3.46Å; Q37-T84 PolarHBondContact N-O 2.75Å; Q37-T84 PolarHBondContact O-N 2.94Å; T84-L86 HydrophobicContact CG2-CD1 4.48Å; T84-L86 HydrophobicContact CG2-CD2 4.18Å; T84-L86 HydrophobicContact CG2-CG 4.07Å
85Y97.5Very high95.9Very high34 Ų3454.1 Ų54.113%0.13332%0.324CS..EExtended strand (participates in β ladder)trans-108.9124175.6-69.5-101000109.2Q6 L21 F35 Y36 L46 L72 I74 D81Q6-Y85 PolarHBondContact NE2-O 3.13Å; L21-Y85 HydrophobicContact CD1-CD1 4.11Å; L21-Y85 HydrophobicContact CD1-CD2 4.07Å; L21-Y85 HydrophobicContact CD1-CG 3.57Å; F35-Y85 WeakPolarHBondContact O-CA 3.16Å; Y36-Y85 HydrophobicContact CD2-CD1 4.27Å; Y36-Y85 HydrophobicContact CD2-CD2 4.22Å; Y36-Y85 AromaticContact CD2-CE1 3.85Å; Y36-Y85 HydrophobicContact CD2-CE1 3.85Å; Y36-Y85 AromaticContact CD2-CE2 3.78Å; Y36-Y85 HydrophobicContact CD2-CE2 3.78Å; Y36-Y85 HydrophobicContact CD2-CG 4.43Å; Y36-Y85 AromaticContact CD2-CZ 3.56Å; Y36-Y85 AromaticContact CE2-CE2 3.97Å; Y36-Y85 HydrophobicContact CE2-CE2 3.97Å; Y36-Y85 AromaticContact CE2-CZ 3.9Å; Y36-Y85 HydrophobicContact CG-CE1 4.45Å; L46-Y85 HydrophobicContact CD1-CD1 3.58Å; L46-Y85 HydrophobicContact CD1-CE1 3.61Å; L72-Y85 HydrophobicContact CD2-CD1 3.66Å; L72-Y85 HydrophobicContact CD2-CE1 4.19Å; I74-Y85 HydrophobicContact CD1-CD1 4.35Å; I74-Y85 HydrophobicContact CD1-CE1 3.55Å; I74-Y85 HydrophobicContact CD1-CE2 4.17Å; I74-Y85 VanDerWaalsContact CD1-CZ 3.46Å; I74-Y85 WeakPolarHBondContact CD1-OH 3.35Å; D81-Y85 VanDerWaalsContact O-CE2 3.24Å; D81-Y85 WeakPolarHBondContact O-CE2 3.43Å; D81-Y85 PolarHBondContact O-OH 3.02Å
86L97Very high95.7Very high65 Ų6555.1 Ų55.134%0.3433%0.328SS..EExtended strand (participates in β ladder)trans-119.2138.8-175.2-66.1163.5000109.4W34 F35 L43 T84W34-L86 CarbonylContact C-O 3.45Å; W34-L86 WeakPolarHBondContact CA-O 3.35Å; F35-L86 HydrophobicContact CB-CB 4.29Å; F35-L86 PolarHBondContact N-O 3.33Å; F35-L86 PolarHBondContact O-N 2.84Å; L43-L86 HydrophobicContact CD1-CD1 3.71Å; T84-L86 HydrophobicContact CG2-CD1 4.48Å; T84-L86 HydrophobicContact CG2-CD2 4.18Å; T84-L86 HydrophobicContact CG2-CG 4.07Å
87C96.2Very high95.6Very high9 Ų955 Ų556%0.06132%0.323CS..EExtended strand (participates in β ladder)trans-112.2133.4174.1173.30000108.9Q6 C23 Q33 W34Q6-C87 HydrophobicContact CG-CB 4.16Å; C23-C87 HydrophobicContact CB-CB 3.49Å; C23-C87 VanDerWaalsContact CB-CB 3.49Å; C23-C87 WeakPolarHBondContact CB-SG 3.45Å; C23-C87 WeakPolarHBondContact SG-CB 3.46Å; C23-C87 CovalentContact SG-SG 2.03Å; C23-C87 PolarHBondContact SG-SG 3.22Å; Q33-C87 WeakPolarHBondContact O-CA 3.42Å; W34-C87 HydrophobicContact CD2-CB 4.17Å; W34-C87 HydrophobicContact CE3-CB 3.88Å; W34-C87 HydrophobicContact CH2-CB 3.94Å; W34-C87 HydrophobicContact CZ2-CB 4.18Å; W34-C87 HydrophobicContact CZ3-CB 3.77Å
88A94.7Very high95.5Very high35 Ų3559 Ų5929%0.28935%0.345SS..EExtended strand (participates in β ladder)trans-132.7155.2175.700000111.3V32 Q33 F35V32-A88 WeakPolarHBondContact CA-O 3.37Å; Q33-A88 PolarHBondContact N-O 3.25Å; Q33-A88 PolarHBondContact O-N 2.94Å; F35-A88 HydrophobicContact CD2-CB 4.43Å; F35-A88 HydrophobicContact CE2-CB 3.87Å
89M90.5Very high95.4Very high47 Ų4756.5 Ų56.523%0.23234%0.34CS..  trans-101.90169.5-57.3-173.4-89.700110.6Q2 V4 F25 I27 T29 Q31Q2-M89 HydrophobicContact CG-CE 3.35Å; V4-M89 HydrophobicContact CG2-CE 3.72Å; V4-M89 HydrophobicContact CG2-CG 4.26Å; F25-M89 HydrophobicContact CB-CE 3.93Å; F25-M89 HydrophobicContact CB-CG 4.49Å; F25-M89 HydrophobicContact CB-SD 3.43Å; F25-M89 WeakPolarHBondContact CB-SD 3.3Å; F25-M89 HydrophobicContact CD1-CE 3.87Å; F25-M89 HydrophobicContact CD1-CG 3.19Å; F25-M89 HydrophobicContact CD1-SD 3.3Å; F25-M89 WeakPolarHBondContact CD1-SD 3.48Å; F25-M89 HydrophobicContact CD2-SD 4.45Å; F25-M89 HydrophobicContact CE1-CG 3.43Å; F25-M89 VanDerWaalsContact CE1-CG 3.43Å; F25-M89 HydrophobicContact CE1-SD 4.14Å; F25-M89 HydrophobicContact CG-CE 4.29Å; F25-M89 HydrophobicContact CG-CG 3.92Å; F25-M89 HydrophobicContact CG-SD 3.48Å; F25-M89 WeakPolarHBondContact CG-SD 3.25Å; F25-M89 HydrophobicContact CZ-CG 4.38Å; I27-M89 HydrophobicContact CG1-CE 4.34Å; I27-M89 HydrophobicContact CG1-SD 4.27Å; T29-M89 HydrophobicContact CG2-CB 4.21Å; T29-M89 HydrophobicContact CG2-CG 3.69Å; T29-M89 HydrophobicContact CG2-SD 3.45Å; T29-M89 WeakPolarHBondContact CG2-SD 3.43Å; Q31-M89 WeakPolarHBondContact CB-OXT 3.47Å; Q31-M89 WeakPolarHBondContact O-CA 3.23Å

Retrieved 89 of 89 residues in 110.5 ms (Link to these results)

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