A0A075B618_MOUSE Loading...

T cell receptor alpha variable 13D-4

AlphaFold DB , UniProt , Accession A0A075B618, Species MOUSE (Mus musculus, Mouse), Gene Trav13d-4, Length 88 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
1G69.9Low91.9Very high131 Ų13187.6 Ų87.6100%1.35156%0.563SS**  0163.7000000109.2Q3G1-Q3 PolarHBondContact O-N 2.72Å
2Q79Confident92.4Very high67 Ų6791.7 Ų91.731%0.31359%0.585SS.*  trans-72.7124.2173.5-175.5169.1-72.900109F25 S27Q2-F25 HydrophobicContact CG-CB 4.39Å; Q2-S27 WeakPolarHBondContact CG-OG 3.37Å; Q2-S27 PolarHBondContact OE1-OG 2.84Å
3Q89.9Confident92.6Very high126 Ų12689.3 Ų89.359%0.58957%0.565SS**  trans-77.8134.2172.1-173.3178.6-2.200109.4G1 S26G1-Q3 PolarHBondContact O-N 2.72Å; Q3-S26 PolarHBondContact N-OG 2.79Å; Q3-S26 PolarHBondContact O-N 2.86Å; Q3-S26 PolarHBondContact O-OG 2.93Å; Q3-S26 VanDerWaalsContact O-OG 3.05Å
4V92.8Very high93Very high47 Ų4793 Ų9329%0.28557%0.571SS.*EExtended strand (participates in β ladder)trans-118.5138.9176.1-173.60000108.9Q6 C23 N24 F25V4-Q6 HydrophobicContact CG1-CG 4.29Å; V4-C23 WeakPolarHBondContact CG1-SG 3.33Å; V4-N24 CarbonylContact C-O 3.57Å; V4-N24 WeakPolarHBondContact CA-O 3.33Å; V4-F25 HydrophobicContact CG1-CD1 4.28Å; V4-F25 HydrophobicContact CG1-CE1 4.17Å; V4-F25 HydrophobicContact CG2-CD1 3.88Å; V4-F25 HydrophobicContact CG2-CE1 4.19Å
5Q96.3Very high93.3Very high122 Ų12295.5 Ų95.557%0.5757%0.574SS**EExtended strand (participates in β ladder)trans-119.9123.6171.1-69.1179-26.400108.9C23 N24Q5-C23 CarbonylContact O-C 3.55Å; Q5-C23 WeakPolarHBondContact O-CA 3.43Å; Q5-N24 HydrophobicContact CB-CB 4.47Å; Q5-N24 PolarHBondContact N-O 2.68Å; Q5-N24 PolarHBondContact O-N 2.98Å
6Q97.5Very high93.6Very high74 Ų7492.1 Ų92.135%0.34657%0.565SS.*EExtended strand (participates in β ladder)trans-110.2145177.4-72.1-174-11600111.4V4 Q22 C23 Y85 C87V4-Q6 HydrophobicContact CG1-CG 4.29Å; Q6-Q22 VanDerWaalsContact CA-O 3.24Å; Q6-Q22 WeakPolarHBondContact CA-O 3.38Å; Q6-C23 HydrophobicContact CG-CB 4.36Å; Q6-Y85 PolarHBondContact NE2-O 2.91Å; Q6-C87 HydrophobicContact CG-CB 4.18Å
7S97.9Very high93.8Very high46 Ų4692 Ų9232%0.32256%0.556SS.*EExtended strand (participates in β ladder)trans-147.5148.6175.856.20000111.7Q22S7-Q22 PolarHBondContact N-O 3.24Å; S7-Q22 PolarHBondContact O-N 3.42Å
8P98Very high94.1Very high57 Ų5792.3 Ų92.337%0.3755%0.554SS.*  cis-69.5162.5-9.832.8-37.5000112S10 L11P8-S10 VanDerWaalsContact C-N 3.31Å; P8-S10 WeakPolarHBondContact CB-O 3.23Å; P8-L11 HydrophobicContact CG-CB 4Å; P8-L11 HydrophobicContact CG-CD1 4.34Å; P8-L11 HydrophobicContact CG-CD2 4.46Å; P8-L11 HydrophobicContact CG-CG 4.5Å
9A96.6Very high94.3Very high110 Ų11087.9 Ų87.991%0.90953%0.529SS*.SBendtrans-70.2-30.1177.400000112.5
10S96.9Very high94.5Very high102 Ų10288.2 Ų88.271%0.71352%0.524SS*.  trans-146.4149.9172.259.90000109.3P8P8-S10 VanDerWaalsContact C-N 3.31Å; P8-S10 WeakPolarHBondContact CB-O 3.23Å
11L96.8Very high94.6Very high82 Ų8284.9 Ų84.943%0.42950%0.504SS..  trans-141.8127.7179.3-173.758.8000107.8P8 L13 A19P8-L11 HydrophobicContact CG-CB 4Å; P8-L11 HydrophobicContact CG-CD1 4.34Å; P8-L11 HydrophobicContact CG-CD2 4.46Å; P8-L11 HydrophobicContact CG-CG 4.5Å; L11-L13 HydrophobicContact CD1-CD1 4.49Å; L11-L13 HydrophobicContact CD1-CD2 4.06Å; L11-L13 HydrophobicContact CD1-CG 4.2Å; L11-L13 HydrophobicContact CD2-CD1 3.67Å; L11-L13 HydrophobicContact CD2-CG 4.23Å; L11-L13 HydrophobicContact CG-CD1 3.82Å; L11-L13 HydrophobicContact CG-CD2 4.22Å; L11-L13 HydrophobicContact CG-CG 3.82Å; L11-A19 HydrophobicContact CD2-CB 3.77Å
12V97Very high96Very high136 Ų13681.5 Ų81.582%0.82445%0.453SS*.  trans-118.4124.3176.4-179.50000107
13L95.8Very high96.8Very high61 Ų6178.3 Ų78.332%0.31944%0.438SS..  trans-138.9156.8-174.1-62.5170.7000109.8L11 E17 A19L11-L13 HydrophobicContact CD1-CD1 4.49Å; L11-L13 HydrophobicContact CD1-CD2 4.06Å; L11-L13 HydrophobicContact CD1-CG 4.2Å; L11-L13 HydrophobicContact CD2-CD1 3.67Å; L11-L13 HydrophobicContact CD2-CG 4.23Å; L11-L13 HydrophobicContact CG-CD1 3.82Å; L11-L13 HydrophobicContact CG-CD2 4.22Å; L11-L13 HydrophobicContact CG-CG 3.82Å; L13-E17 WeakPolarHBondContact CA-OE2 3.38Å; L13-E17 HydrophobicContact CB-CB 4.23Å; L13-E17 HydrophobicContact CD2-CB 4.31Å; L13-A19 HydrophobicContact CD1-CB 3.54Å
14Q97.3Very high97.1Very high141 Ų14175.1 Ų75.166%0.65943%0.425SS*.  trans-81.8154.4165.2-61.6-63.1-42.700110.6G16 E17Q14-G16 PolarHBondContact O-N 2.71Å; Q14-E17 HydrophobicContact CB-CG 4.14Å; Q14-E17 PolarHBondContact N-OE2 3.46Å; Q14-E17 WeakPolarHBondContact O-CB 3.41Å; Q14-E17 PolarHBondContact O-N 2.85Å; Q14-E17 VanDerWaalsContact O-N 3.16Å
15E97.4Very high97.1Very high131 Ų13173.5 Ų73.561%0.61241%0.414SS*.THydrogen-bonded Turntrans-57.4137.1170177.8163-156.800110.3E17 S77E15-E17 VanDerWaalsContact C-N 3.34Å; E15-S77 CarbonylContact C-O 3.57Å; E15-S77 WeakPolarHBondContact CA-O 3.42Å; E15-S77 WeakPolarHBondContact CG-O 3.24Å
16G98Very high96.9Very high41 Ų4170.7 Ų70.742%0.42341%0.408SS..THydrogen-bonded Turntrans89.4-15.8-174.700000115Q14 S77Q14-G16 PolarHBondContact O-N 2.71Å; G16-S77 PolarHBondContact N-O 2.99Å
17E98.4Very high96.4Very high90 Ų9069.6 Ų69.642%0.42141%0.408SS..  trans-73.7156.3173.4-65.2-169.3112.200111.9L13 Q14 E15 S77L13-E17 WeakPolarHBondContact CA-OE2 3.38Å; L13-E17 HydrophobicContact CB-CB 4.23Å; L13-E17 HydrophobicContact CD2-CB 4.31Å; Q14-E17 HydrophobicContact CB-CG 4.14Å; Q14-E17 PolarHBondContact N-OE2 3.46Å; Q14-E17 WeakPolarHBondContact O-CB 3.41Å; Q14-E17 PolarHBondContact O-N 2.85Å; Q14-E17 VanDerWaalsContact O-N 3.16Å; E15-E17 VanDerWaalsContact C-N 3.34Å; E17-S77 VanDerWaalsContact O-CB 3.23Å; E17-S77 WeakPolarHBondContact O-CB 3.41Å; E17-S77 PolarHBondContact O-N 3.16Å; E17-S77 PolarHBondContact O-OG 2.83Å
18N98.1Very high95.7Very high97 Ų9772 Ų7252%0.51942%0.422SS..  trans-91.5140.7176.2-64.1-25.2000110.4I74 S75 S76N18-I74 WeakPolarHBondContact CA-O 3.44Å; N18-S75 VanDerWaalsContact OD1-CA 3.31Å; N18-S75 WeakPolarHBondContact OD1-CA 3.31Å; N18-S76 PolarHBondContact OD1-N 3.05Å
19A97.6Very high94.9Very high9 Ų969.9 Ų69.97%0.07441%0.409CS..EExtended strand (participates in β ladder)trans-112142.5173.900000110.7L11 L13 H73 I74L11-A19 HydrophobicContact CD2-CB 3.77Å; L13-A19 HydrophobicContact CD1-CB 3.54Å; A19-H73 CarbonylContact O-C 3.56Å; A19-H73 VanDerWaalsContact O-CA 3.3Å; A19-H73 WeakPolarHBondContact O-CA 3.47Å; A19-H73 PolarHBondContact O-CD2 3.29Å; A19-H73 VanDerWaalsContact O-CD2 3.24Å; A19-I74 HydrophobicContact CB-CB 4.13Å; A19-I74 HydrophobicContact CB-CG1 4.39Å; A19-I74 PolarHBondContact N-O 2.86Å; A19-I74 PolarHBondContact O-N 3.32Å
20E98.1Very high94.3Very high93 Ų9370 Ų7044%0.43540%0.398SS..EExtended strand (participates in β ladder)trans-126.8126.1167-170.3-177.1163.500109.8Q22E20-Q22 HydrophobicContact CG-CG 4.47Å; E20-Q22 PolarHBondContact OE1-NE2 2.96Å; E20-Q22 VanDerWaalsContact OE1-NE2 3.07Å
21L98.2Very high93.8Very high20 Ų2074.2 Ų74.211%0.10540%0.398CS..EExtended strand (participates in β ladder)trans-112.2139.6171.5-55.1177.6000108.6W34 S71 L72 Y85L21-W34 HydrophobicContact CB-CH2 3.88Å; L21-W34 HydrophobicContact CB-CZ3 4.06Å; L21-W34 HydrophobicContact CD1-CZ3 4.29Å; L21-S71 CarbonylContact O-C 3.48Å; L21-S71 WeakPolarHBondContact O-CA 3.47Å; L21-S71 WeakPolarHBondContact O-CB 3.41Å; L21-L72 HydrophobicContact CB-CB 4.41Å; L21-L72 HydrophobicContact CD1-CD2 4.39Å; L21-L72 PolarHBondContact N-O 3.08Å; L21-L72 PolarHBondContact O-N 3.23Å; L21-Y85 HydrophobicContact CD1-CD1 4.18Å; L21-Y85 HydrophobicContact CD1-CD2 3.96Å; L21-Y85 HydrophobicContact CD1-CG 3.57Å
22Q97.8Very high93.6Very high60 Ų6070.3 Ų70.328%0.2838%0.378SS..EExtended strand (participates in β ladder)trans-119.6149.7179.7-62.9-177.6-19.500110.4Q6 S7 E20Q6-Q22 VanDerWaalsContact CA-O 3.24Å; Q6-Q22 WeakPolarHBondContact CA-O 3.38Å; S7-Q22 PolarHBondContact N-O 3.24Å; S7-Q22 PolarHBondContact O-N 3.42Å; E20-Q22 HydrophobicContact CG-CG 4.47Å; E20-Q22 PolarHBondContact OE1-NE2 2.96Å; E20-Q22 VanDerWaalsContact OE1-NE2 3.07Å
23C96.9Very high93.5Very high0 Ų065.9 Ų65.90%035%0.348CS..EExtended strand (participates in β ladder)trans-143.3117.2-176.1179.70000109.4V4 Q5 Q6 F25 W34 R69 S70 C87V4-C23 WeakPolarHBondContact CG1-SG 3.33Å; Q5-C23 CarbonylContact O-C 3.55Å; Q5-C23 WeakPolarHBondContact O-CA 3.43Å; Q6-C23 HydrophobicContact CG-CB 4.36Å; C23-F25 HydrophobicContact CB-CZ 4.21Å; C23-F25 WeakPolarHBondContact SG-CE1 3.3Å; C23-F25 WeakPolarHBondContact SG-CZ 3.43Å; C23-W34 HydrophobicContact CB-CH2 3.79Å; C23-W34 HydrophobicContact CB-CZ2 3.71Å; C23-R69 CarbonylContact O-C 3.48Å; C23-R69 WeakPolarHBondContact O-CA 3.31Å; C23-S70 PolarHBondContact N-O 3.05Å; C23-S70 PolarHBondContact O-N 3.36Å; C23-C87 HydrophobicContact CB-CB 3.58Å; C23-C87 WeakPolarHBondContact CB-SG 3.43Å; C23-C87 WeakPolarHBondContact SG-CB 3.47Å; C23-C87 CovalentContact SG-SG 2.03Å; C23-C87 PolarHBondContact SG-SG 2.92Å
24N95.9Very high93.6Very high59 Ų5963 Ų6332%0.31633%0.333SS..EExtended strand (participates in β ladder)trans-111.1139.1178.7-64-25.7000110.3V4 Q5 R68 R69V4-N24 CarbonylContact C-O 3.57Å; V4-N24 WeakPolarHBondContact CA-O 3.33Å; Q5-N24 HydrophobicContact CB-CB 4.47Å; Q5-N24 PolarHBondContact N-O 2.68Å; Q5-N24 PolarHBondContact O-N 2.98Å; N24-R68 CarbonylContact C-O 3.57Å; N24-R68 WeakPolarHBondContact CA-O 3.32Å; N24-R69 VanDerWaalsContact OD1-CG 3.3Å; N24-R69 WeakPolarHBondContact OD1-CG 3.2Å
25F92.6Very high93.6Very high13 Ų1358.5 Ų58.56%0.05731%0.312CS..EExtended strand (participates in β ladder)trans-114.2141.3-178.1-45.7-83.8000111.4Q2 V4 C23 S27 A29 L32 R68 C87Q2-F25 HydrophobicContact CG-CB 4.39Å; V4-F25 HydrophobicContact CG1-CD1 4.28Å; V4-F25 HydrophobicContact CG1-CE1 4.17Å; V4-F25 HydrophobicContact CG2-CD1 3.88Å; V4-F25 HydrophobicContact CG2-CE1 4.19Å; C23-F25 HydrophobicContact CB-CZ 4.21Å; C23-F25 WeakPolarHBondContact SG-CE1 3.3Å; C23-F25 WeakPolarHBondContact SG-CZ 3.43Å; F25-S27 VanDerWaalsContact C-N 3.33Å; F25-S27 WeakPolarHBondContact CB-O 3.2Å; F25-S27 PolarHBondContact O-N 3.07Å; F25-A29 HydrophobicContact CG-CB 4.39Å; F25-L32 HydrophobicContact CD2-CD1 4.23Å; F25-L32 HydrophobicContact CE1-CD1 4.08Å; F25-L32 HydrophobicContact CE1-CG 4.27Å; F25-L32 HydrophobicContact CE2-CD1 3.2Å; F25-L32 HydrophobicContact CE2-CG 4.19Å; F25-L32 HydrophobicContact CZ-CD1 3.08Å; F25-L32 HydrophobicContact CZ-CD2 4.35Å; F25-L32 HydrophobicContact CZ-CG 3.57Å; F25-R68 HydrophobicContact CB-CB 4.44Å; F25-R68 VanDerWaalsContact CD2-O 3.31Å; F25-R68 WeakPolarHBondContact CD2-O 3.38Å; F25-R68 PolarHBondContact N-O 2.84Å; F25-R68 VanDerWaalsContact O-CB 3.29Å; F25-R68 WeakPolarHBondContact O-CB 3.47Å; F25-C87 VanDerWaalsContact CE1-SG 3.54Å; F25-C87 WeakPolarHBondContact CZ-SG 3.37Å
26S91.7Very high93.6Very high62 Ų6253.4 Ų53.443%0.43429%0.287SS..SBendtrans-67.6-30.6175.346.20000113.6Q3 R68Q3-S26 PolarHBondContact N-OG 2.79Å; Q3-S26 PolarHBondContact O-N 2.86Å; Q3-S26 PolarHBondContact O-OG 2.93Å; Q3-S26 VanDerWaalsContact O-OG 3.05Å; S26-R68 PolarHBondContact O-NH1 3.12Å
27S87.7Confident93.6Very high51 Ų5154.5 Ų54.536%0.35728%0.281SS..SBendtrans-131.2169.1-177.754.30000112.2Q2 F25 A29Q2-S27 WeakPolarHBondContact CG-OG 3.37Å; Q2-S27 PolarHBondContact OE1-OG 2.84Å; F25-S27 VanDerWaalsContact C-N 3.33Å; F25-S27 WeakPolarHBondContact CB-O 3.2Å; F25-S27 PolarHBondContact O-N 3.07Å; S27-A29 PolarHBondContact O-N 2.93Å; S27-A29 VanDerWaalsContact O-N 3.13Å
28T83.6Confident93.4Very high98 Ų9857.6 Ų57.660%0.60129%0.289SS*.  trans-59.3114.5173.1-54.10000110.2
29A80.7Confident93.3Very high12 Ų1257.8 Ų57.810%0.09930%0.295CS..  trans-85.4121.3173.800000109.9F25 S27F25-A29 HydrophobicContact CG-CB 4.39Å; S27-A29 PolarHBondContact O-N 2.93Å; S27-A29 VanDerWaalsContact O-N 3.13Å
30T83.4Confident93.1Very high112 Ų11261.8 Ų61.869%0.68734%0.338SS*.SBendtrans-91.8-15.8171.755.20000112.5
31R87.5Confident92.9Very high190 Ų19058.7 Ų58.772%0.71733%0.331SS*.SBendtrans-131.5126.7174.8-62.5-179.7-175.8176.60.8106.3Y48R31-Y48 HydrophobicContact CB-CE2 4.42Å
32L92.5Very high92.8Very high1 Ų162.1 Ų62.11%0.00536%0.356CS..  trans-141.5128.1178-170.8162.4000109.2F25 Y48 N49 T63 S70 A88F25-L32 HydrophobicContact CD2-CD1 4.23Å; F25-L32 HydrophobicContact CE1-CD1 4.08Å; F25-L32 HydrophobicContact CE1-CG 4.27Å; F25-L32 HydrophobicContact CE2-CD1 3.2Å; F25-L32 HydrophobicContact CE2-CG 4.19Å; F25-L32 HydrophobicContact CZ-CD1 3.08Å; F25-L32 HydrophobicContact CZ-CD2 4.35Å; F25-L32 HydrophobicContact CZ-CG 3.57Å; L32-Y48 WeakPolarHBondContact O-CD2 3.23Å; L32-N49 WeakPolarHBondContact CB-O 3.34Å; L32-N49 WeakPolarHBondContact CD2-O 3.33Å; L32-N49 CarbonylContact O-C 3.52Å; L32-N49 PolarHBondContact O-N 3.19Å; L32-T63 HydrophobicContact CD1-CG2 3.58Å; L32-S70 WeakPolarHBondContact CD2-OG 3.16Å; L32-A88 CarbonylContact C-O 3.54Å; L32-A88 VanDerWaalsContact CA-O 3.31Å; L32-A88 WeakPolarHBondContact CA-O 3.31Å
33Q94.3Very high92.7Very high42 Ų4263.7 Ų63.720%0.19637%0.366CS..EExtended strand (participates in β ladder)trans-142.4138.2-176.2-176.8161.4-6200111.5F35 S45 L47 Y48 C87 A88Q33-F35 HydrophobicContact CB-CD2 4.43Å; Q33-F35 HydrophobicContact CB-CE2 3.77Å; Q33-F35 HydrophobicContact CB-CZ 4.24Å; Q33-F35 HydrophobicContact CG-CD2 4.1Å; Q33-F35 HydrophobicContact CG-CE1 4.45Å; Q33-F35 HydrophobicContact CG-CE2 3.67Å; Q33-F35 HydrophobicContact CG-CZ 3.89Å; Q33-S45 PolarHBondContact NE2-OG 2.85Å; Q33-L47 WeakPolarHBondContact CA-O 3.24Å; Q33-Y48 HydrophobicContact CB-CD2 4.36Å; Q33-C87 WeakPolarHBondContact O-CA 3.47Å; Q33-A88 PolarHBondContact N-O 2.84Å; Q33-A88 PolarHBondContact O-N 2.82Å
34W97.2Very high92.7Very high0 Ų066.2 Ų66.20%038%0.382CS..EExtended strand (participates in β ladder)trans-89.4138.7165.1-71.692.3000109.9L21 C23 L46 L47 S61 S70 L72 F86 C87L21-W34 HydrophobicContact CB-CH2 3.88Å; L21-W34 HydrophobicContact CB-CZ3 4.06Å; L21-W34 HydrophobicContact CD1-CZ3 4.29Å; C23-W34 HydrophobicContact CB-CH2 3.79Å; C23-W34 HydrophobicContact CB-CZ2 3.71Å; W34-L46 HydrophobicContact CB-CB 4.36Å; W34-L46 HydrophobicContact CB-CD2 4.35Å; W34-L46 WeakPolarHBondContact O-CA 3.3Å; W34-L46 VanDerWaalsContact O-CB 3.27Å; W34-L46 WeakPolarHBondContact O-CB 3.33Å; W34-L46 PolarHBondContact O-N 3.13Å; W34-L47 PolarHBondContact N-O 2.96Å; W34-L47 PolarHBondContact O-N 2.88Å; W34-L47 VanDerWaalsContact O-N 3.08Å; W34-S61 PolarHBondContact NE1-OG 2.95Å; W34-S70 PolarHBondContact NE1-OG 3.29Å; W34-L72 HydrophobicContact CB-CD2 4.31Å; W34-L72 HydrophobicContact CD2-CB 3.69Å; W34-L72 HydrophobicContact CD2-CD2 3.92Å; W34-L72 HydrophobicContact CD2-CG 4.32Å; W34-L72 HydrophobicContact CE3-CB 4Å; W34-L72 HydrophobicContact CE3-CD2 3.82Å; W34-L72 HydrophobicContact CG-CB 4.21Å; W34-L72 HydrophobicContact CG-CD1 4.45Å; W34-L72 HydrophobicContact CG-CD2 4.13Å; W34-L72 HydrophobicContact CH2-CB 4.02Å; W34-L72 HydrophobicContact CZ2-CB 3.74Å; W34-L72 HydrophobicContact CZ3-CB 4.15Å; W34-L72 HydrophobicContact CZ3-CD2 4.43Å; W34-F86 CarbonylContact C-O 3.5Å; W34-F86 WeakPolarHBondContact CA-O 3.41Å; W34-C87 HydrophobicContact CD2-CB 4.21Å; W34-C87 HydrophobicContact CE3-CB 3.95Å; W34-C87 HydrophobicContact CH2-CB 3.93Å; W34-C87 HydrophobicContact CZ2-CB 4.15Å; W34-C87 HydrophobicContact CZ3-CB 3.81Å
35F97.4Very high92.7Very high48 Ų4867 Ų6721%0.21139%0.392CS..EExtended strand (participates in β ladder)trans-122.8154.1174.3-61.5-101.2000109.4Q33 L43 V44 Y85 F86 A88Q33-F35 HydrophobicContact CB-CD2 4.43Å; Q33-F35 HydrophobicContact CB-CE2 3.77Å; Q33-F35 HydrophobicContact CB-CZ 4.24Å; Q33-F35 HydrophobicContact CG-CD2 4.1Å; Q33-F35 HydrophobicContact CG-CE1 4.45Å; Q33-F35 HydrophobicContact CG-CE2 3.67Å; Q33-F35 HydrophobicContact CG-CZ 3.89Å; F35-L43 HydrophobicContact CB-CD1 3.63Å; F35-L43 HydrophobicContact CB-CD2 4.31Å; F35-L43 HydrophobicContact CB-CG 3.94Å; F35-L43 HydrophobicContact CD1-CD2 3.96Å; F35-L43 HydrophobicContact CD1-CG 3.99Å; F35-L43 HydrophobicContact CG-CD1 4.42Å; F35-L43 HydrophobicContact CG-CD2 4.23Å; F35-L43 HydrophobicContact CG-CG 4.26Å; F35-V44 VanDerWaalsContact CA-O 3.24Å; F35-V44 WeakPolarHBondContact CA-O 3.5Å; F35-V44 WeakPolarHBondContact CB-O 3.46Å; F35-Y85 WeakPolarHBondContact O-CA 3.26Å; F35-F86 HydrophobicContact CB-CB 4.27Å; F35-F86 PolarHBondContact N-O 2.78Å; F35-F86 PolarHBondContact O-N 3.13Å; F35-A88 HydrophobicContact CE2-CB 3.99Å
36Y97.4Very high92.8Very high23 Ų2368.6 Ų68.69%0.0940%0.401CS..EExtended strand (participates in β ladder)trans-128.5140.3177.8170.6-123.9000109.4R38 V44 T80 S82 T84 Y85Y36-R38 HydrophobicContact CE1-CG 3.56Å; Y36-R38 VanDerWaalsContact OH-CG 3.23Å; Y36-R38 WeakPolarHBondContact OH-CG 3.16Å; Y36-V44 HydrophobicContact CD1-CG2 4.14Å; Y36-V44 PolarHBondContact N-O 3.09Å; Y36-V44 VanDerWaalsContact O-CG2 3.25Å; Y36-V44 WeakPolarHBondContact O-CG2 3.46Å; Y36-V44 PolarHBondContact O-N 2.8Å; Y36-T80 PolarHBondContact OH-O 3.05Å; Y36-S82 PolarHBondContact OH-O 2.89Å; Y36-T84 CarbonylContact C-O 3.57Å; Y36-Y85 HydrophobicContact CD2-CD1 4.19Å; Y36-Y85 HydrophobicContact CD2-CD2 4.22Å; Y36-Y85 AromaticContact CD2-CE1 3.81Å; Y36-Y85 HydrophobicContact CD2-CE1 3.81Å; Y36-Y85 AromaticContact CD2-CE2 3.83Å; Y36-Y85 HydrophobicContact CD2-CE2 3.83Å; Y36-Y85 HydrophobicContact CD2-CG 4.39Å; Y36-Y85 AromaticContact CD2-CZ 3.61Å; Y36-Y85 AromaticContact CE2-CE2 3.95Å; Y36-Y85 HydrophobicContact CE2-CE2 3.95Å; Y36-Y85 AromaticContact CE2-CZ 3.88Å; Y36-Y85 HydrophobicContact CG-CE1 4.29Å
37Q97.9Very high93Very high65 Ų6565.9 Ų65.930%0.30438%0.381SS..EExtended strand (participates in β ladder)trans-129.4114.6173.6-174.7178.826.200109G41 L43 G83 T84 F86Q37-G41 WeakPolarHBondContact CG-O 3.39Å; Q37-G41 PolarHBondContact NE2-O 3Å; Q37-L43 HydrophobicContact CB-CD1 4.11Å; Q37-G83 CarbonylContact O-C 3.59Å; Q37-G83 WeakPolarHBondContact O-CA 3.25Å; Q37-T84 PolarHBondContact N-O 3.5Å; Q37-T84 PolarHBondContact O-N 2.92Å; Q37-F86 HydrophobicContact CB-CE2 3.98Å
38R95.5Very high93.4Very high154 Ų15468.5 Ų68.558%0.58138%0.384SS*.  trans-62.5151.4168.8-84.5179.8-94.9136.3-7.3110.4Y36 G40 G41Y36-R38 HydrophobicContact CE1-CG 3.56Å; Y36-R38 VanDerWaalsContact OH-CG 3.23Å; Y36-R38 WeakPolarHBondContact OH-CG 3.16Å; R38-G40 PolarHBondContact O-N 3.19Å; R38-G40 VanDerWaalsContact O-N 3.13Å; R38-G41 PolarHBondContact O-N 2.77Å
39P94.7Very high93.9Very high101 Ų10164 Ų6466%0.65636%0.356SS*.THydrogen-bonded Turntrans-51.2120.7171.2-2734.7000111.1G41 S82P39-G41 PolarHBondContact O-N 2.89Å; P39-S82 WeakPolarHBondContact CD-O 3.26Å
40G94.1Very high94.5Very high94 Ų9465.3 Ų65.397%0.96936%0.364SS*.THydrogen-bonded Turntrans70.33.5-17700000116R38R38-G40 PolarHBondContact O-N 3.19Å; R38-G40 VanDerWaalsContact O-N 3.13Å
41G94.4Very high95.1Very high27 Ų2763.6 Ų63.628%0.27836%0.357SS..SBendtrans-94.1177-178.700000114.4Q37 R38 P39Q37-G41 WeakPolarHBondContact CG-O 3.39Å; Q37-G41 PolarHBondContact NE2-O 3Å; R38-G41 PolarHBondContact O-N 2.77Å; P39-G41 PolarHBondContact O-N 2.89Å
42S95.1Very high95.5Very high92 Ų9256.3 Ų56.364%0.64334%0.341SS*.  trans-80155.8170.656.80000111.9V44S42-V44 PolarHBondContact O-N 3.21Å
43L96.4Very high95.7Very high93 Ų9360.9 Ų60.949%0.48737%0.368SS..EExtended strand (participates in β ladder)trans-69.2126.6171.6-169.370.9000109.6F35 Q37 F86F35-L43 HydrophobicContact CB-CD1 3.63Å; F35-L43 HydrophobicContact CB-CD2 4.31Å; F35-L43 HydrophobicContact CB-CG 3.94Å; F35-L43 HydrophobicContact CD1-CD2 3.96Å; F35-L43 HydrophobicContact CD1-CG 3.99Å; F35-L43 HydrophobicContact CG-CD1 4.42Å; F35-L43 HydrophobicContact CG-CD2 4.23Å; F35-L43 HydrophobicContact CG-CG 4.26Å; Q37-L43 HydrophobicContact CB-CD1 4.11Å; L43-F86 HydrophobicContact CD1-CD2 3.44Å; L43-F86 VanDerWaalsContact CD1-CD2 3.44Å; L43-F86 HydrophobicContact CD1-CE2 3.81Å; L43-F86 HydrophobicContact CD1-CG 4.35Å
44V96.6Very high95.8Very high54 Ų5462.9 Ų62.933%0.32738%0.377SS..EExtended strand (participates in β ladder)trans-117.5146.4176.5-60.80000111.1F35 Y36 S42 L46F35-V44 VanDerWaalsContact CA-O 3.24Å; F35-V44 WeakPolarHBondContact CA-O 3.5Å; F35-V44 WeakPolarHBondContact CB-O 3.46Å; Y36-V44 HydrophobicContact CD1-CG2 4.14Å; Y36-V44 PolarHBondContact N-O 3.09Å; Y36-V44 VanDerWaalsContact O-CG2 3.25Å; Y36-V44 WeakPolarHBondContact O-CG2 3.46Å; Y36-V44 PolarHBondContact O-N 2.8Å; S42-V44 PolarHBondContact O-N 3.21Å; V44-L46 PolarHBondContact O-N 3.17Å
45S95.7Very high95.8Very high76 Ų7669 Ų6953%0.53141%0.405SS..EExtended strand (participates in β ladder)trans-66.2121.7169.4-1760000108.9Q33Q33-S45 PolarHBondContact NE2-OG 2.85Å
46L96Very high95.6Very high46 Ų4670 Ų7024%0.24142%0.415CS..EExtended strand (participates in β ladder)trans-94-54.8178.2-171.868.1000110.2W34 V44 L59 L72 Y85W34-L46 HydrophobicContact CB-CB 4.36Å; W34-L46 HydrophobicContact CB-CD2 4.35Å; W34-L46 WeakPolarHBondContact O-CA 3.3Å; W34-L46 VanDerWaalsContact O-CB 3.27Å; W34-L46 WeakPolarHBondContact O-CB 3.33Å; W34-L46 PolarHBondContact O-N 3.13Å; V44-L46 PolarHBondContact O-N 3.17Å; L46-L59 HydrophobicContact CD1-CD1 3.63Å; L46-L59 HydrophobicContact CD2-CD1 3.91Å; L46-L59 HydrophobicContact CG-CD1 3.76Å; L46-L72 HydrophobicContact CD2-CD2 3.71Å; L46-Y85 HydrophobicContact CD2-CD1 3.77Å; L46-Y85 HydrophobicContact CD2-CE1 3.63Å
47L95Very high95.6Very high5 Ų571.8 Ų71.83%0.02644%0.441CS..EExtended strand (participates in β ladder)trans-159120.7-173.3-175.3150.3000112.1Q33 W34 N49 K54Q33-L47 WeakPolarHBondContact CA-O 3.24Å; W34-L47 PolarHBondContact N-O 2.96Å; W34-L47 PolarHBondContact O-N 2.88Å; W34-L47 VanDerWaalsContact O-N 3.08Å; L47-N49 HydrophobicContact CD2-CB 3.38Å; L47-K54 HydrophobicContact CD1-CD 4.21Å; L47-K54 HydrophobicContact CD1-CG 4.24Å; L47-K54 HydrophobicContact CD2-CB 4.39Å; L47-K54 HydrophobicContact CD2-CD 3.95Å; L47-K54 HydrophobicContact CG-CD 3.96Å
48Y95.4Very high95.5Very high105 Ų10571.6 Ų71.641%0.41244%0.437SS..EExtended strand (participates in β ladder)trans-84.3119.6167.6-178.5-110.2000111.1R31 L32 Q33 P50 K54R31-Y48 HydrophobicContact CB-CE2 4.42Å; L32-Y48 WeakPolarHBondContact O-CD2 3.23Å; Q33-Y48 HydrophobicContact CB-CD2 4.36Å; Y48-P50 HydrophobicContact CE1-CG 3.91Å; Y48-K54 VanDerWaalsContact O-CD 3.25Å; Y48-K54 WeakPolarHBondContact O-CD 2.93Å; Y48-K54 PolarHBondContact O-NZ 2.78Å
49N95Very high95.6Very high3 Ų365.3 Ų65.32%0.01642%0.415CS..  trans-147.591.9176.9179.7-27.8000111.1L32 L47 S51 G52 K54 S61 T63L32-N49 WeakPolarHBondContact CB-O 3.34Å; L32-N49 WeakPolarHBondContact CD2-O 3.33Å; L32-N49 CarbonylContact O-C 3.52Å; L32-N49 PolarHBondContact O-N 3.19Å; L47-N49 HydrophobicContact CD2-CB 3.38Å; N49-S51 VanDerWaalsContact C-N 3.34Å; N49-S51 PolarHBondContact O-N 2.76Å; N49-S51 PolarHBondContact OD1-N 3.17Å; N49-S51 PolarHBondContact OD1-O 2.85Å; N49-S51 VanDerWaalsContact OD1-O 3.11Å; N49-G52 PolarHBondContact ND2-O 2.83Å; N49-G52 PolarHBondContact OD1-O 2.82Å; N49-K54 HydrophobicContact CB-CB 4.27Å; N49-K54 HydrophobicContact CB-CD 4.44Å; N49-K54 VanDerWaalsContact ND2-CB 3.26Å; N49-K54 WeakPolarHBondContact ND2-CB 3.26Å; N49-K54 PolarHBondContact ND2-N 2.78Å; N49-S61 PolarHBondContact ND2-O 2.97Å; N49-T63 PolarHBondContact O-OG1 2.83Å; N49-T63 WeakPolarHBondContact OD1-CB 3.39Å; N49-T63 PolarHBondContact OD1-OG1 3.39Å
50P93.3Very high95.7Very high40 Ų4062 Ų6226%0.2639%0.393SS..SBendtrans-74.3-19.9178.230.8-35.4000114Y48 T63 T65Y48-P50 HydrophobicContact CE1-CG 3.91Å; P50-T63 WeakPolarHBondContact O-CG2 3.47Å; P50-T65 VanDerWaalsContact O-CG2 3.26Å; P50-T65 WeakPolarHBondContact O-CG2 3.44Å
51S94.9Very high95.9Very high77 Ų7757.5 Ų57.554%0.53835%0.346SS..SBendtrans-170152.1-179.862.40000111.8N49N49-S51 VanDerWaalsContact C-N 3.34Å; N49-S51 PolarHBondContact O-N 2.76Å; N49-S51 PolarHBondContact OD1-N 3.17Å; N49-S51 PolarHBondContact OD1-O 2.85Å; N49-S51 VanDerWaalsContact OD1-O 3.11Å
52G96Very high96.1Very high37 Ų3758.2 Ų58.238%0.38135%0.346SS..EExtended strand (participates in β ladder)trans76.8-164.3176.800000112.4N49 T62 T63N49-G52 PolarHBondContact ND2-O 2.83Å; N49-G52 PolarHBondContact OD1-O 2.82Å; G52-T62 CarbonylContact O-C 3.59Å; G52-T62 WeakPolarHBondContact O-CA 3.25Å; G52-T63 PolarHBondContact N-O 2.83Å; G52-T63 PolarHBondContact O-N 2.95Å
53T97.3Very high96.1Very high96 Ų9654.1 Ų54.159%0.58932%0.317SS*.EExtended strand (participates in β ladder)trans-104.6133-179.4-590000110.6T60 S61 T62T53-T60 HydrophobicContact CG2-CG2 3.67Å; T53-S61 CarbonylContact C-O 3.37Å; T53-S61 WeakPolarHBondContact CA-O 3.17Å; T53-T62 WeakPolarHBondContact CG2-OG1 3.48Å; T53-T62 WeakPolarHBondContact OG1-CG2 3.32Å; T53-T62 PolarHBondContact OG1-OG1 3.27Å
54K96.8Very high96.1Very high84 Ų8451.9 Ų51.937%0.36531%0.307SS..EExtended strand (participates in β ladder)trans-127.9131.3176.2-173.2177.3-177.5-1760109.6L47 Y48 N49 T60 S61L47-K54 HydrophobicContact CD1-CD 4.21Å; L47-K54 HydrophobicContact CD1-CG 4.24Å; L47-K54 HydrophobicContact CD2-CB 4.39Å; L47-K54 HydrophobicContact CD2-CD 3.95Å; L47-K54 HydrophobicContact CG-CD 3.96Å; Y48-K54 VanDerWaalsContact O-CD 3.25Å; Y48-K54 WeakPolarHBondContact O-CD 2.93Å; Y48-K54 PolarHBondContact O-NZ 2.78Å; N49-K54 HydrophobicContact CB-CB 4.27Å; N49-K54 HydrophobicContact CB-CD 4.44Å; N49-K54 VanDerWaalsContact ND2-CB 3.26Å; N49-K54 WeakPolarHBondContact ND2-CB 3.26Å; N49-K54 PolarHBondContact ND2-N 2.78Å; K54-T60 CarbonylContact O-C 3.57Å; K54-T60 WeakPolarHBondContact O-CA 3.36Å; K54-S61 PolarHBondContact N-O 2.86Å; K54-S61 PolarHBondContact O-N 2.82Å
55H96.3Very high95.8Very high129 Ų12952.1 Ų52.160%0.59731%0.308SS*.EExtended strand (participates in β ladder)trans-114.5130.5-178.6-175.3-84.9000110.3G57 L59 T60H55-G57 PolarHBondContact CE1-O 3.03Å; H55-G57 PolarHBondContact NE2-O 2.89Å; H55-L59 WeakPolarHBondContact CA-O 3.36Å; H55-T60 PolarHBondContact CD2-OG1 2.91Å; H55-T60 VanDerWaalsContact CD2-OG1 3.27Å
56T94.7Very high95.7Very high69 Ų6957.9 Ų57.942%0.42332%0.324SS..EExtended strand (participates in β ladder)trans-141.8101.1176.8-57.70000109.5R58 L59T56-R58 PolarHBondContact O-N 2.83Å; T56-L59 PolarHBondContact N-O 2.94Å; T56-L59 WeakPolarHBondContact O-CB 3Å; T56-L59 PolarHBondContact O-N 2.79Å
57G95.6Very high95.6Very high61 Ų6161.3 Ų61.363%0.62934%0.339SS*.THydrogen-bonded Turntrans61.3-118-179.200000111.7H55 L59H55-G57 PolarHBondContact CE1-O 3.03Å; H55-G57 PolarHBondContact NE2-O 2.89Å; G57-L59 VanDerWaalsContact C-N 3.32Å
58R96.5Very high95.6Very high60 Ų6067 Ų6723%0.22636%0.36CS..THydrogen-bonded Turntrans-86.1-2.2176.3-66.6-173.6-62.61022.6113.6T56 I74 S75 S76 Q78 D81T56-R58 PolarHBondContact O-N 2.83Å; R58-I74 WeakPolarHBondContact O-CA 3.36Å; R58-S75 WeakPolarHBondContact CA-OG 3.49Å; R58-S75 WeakPolarHBondContact CB-O 3.48Å; R58-S75 WeakPolarHBondContact CD-O 3.33Å; R58-S75 PolarHBondContact NH1-O 3.01Å; R58-S75 PolarHBondContact O-N 3.48Å; R58-S75 PolarHBondContact O-OG 3.49Å; R58-S76 PolarHBondContact NH1-O 2.92Å; R58-Q78 VanDerWaalsContact NH2-CD 3.33Å; R58-D81 IonicContact CZ-OD1 2.84Å; R58-D81 IonicContact CZ-OD2 2.93Å; R58-D81 VanDerWaalsContact CZ-OD2 3.25Å; R58-D81 IonicContact NH1-OD1 3.84Å; R58-D81 IonicContact NH1-OD2 2.68Å; R58-D81 PolarHBondContact NH1-OD2 2.03Å; R58-D81 VanDerWaalsContact NH2-CG 3.28Å; R58-D81 IonicContact NH2-OD1 3.39Å; R58-D81 PolarHBondContact NH2-OD1 3.31Å; R58-D81 IonicContact NH2-OD2 3.17Å; R58-D81 PolarHBondContact NH2-OD2 3.05Å
59L97.3Very high95.6Very high23 Ų2365.7 Ų65.712%0.1235%0.354CS..EExtended strand (participates in β ladder)trans-102.4130.2-174.5-54.7175.9000110.5L46 H55 T56 G57 L72 H73 I74L46-L59 HydrophobicContact CD1-CD1 3.63Å; L46-L59 HydrophobicContact CD2-CD1 3.91Å; L46-L59 HydrophobicContact CG-CD1 3.76Å; H55-L59 WeakPolarHBondContact CA-O 3.36Å; T56-L59 PolarHBondContact N-O 2.94Å; T56-L59 WeakPolarHBondContact O-CB 3Å; T56-L59 PolarHBondContact O-N 2.79Å; G57-L59 VanDerWaalsContact C-N 3.32Å; L59-L72 HydrophobicContact CB-CD1 4.29Å; L59-H73 CarbonylContact C-O 3.58Å; L59-H73 WeakPolarHBondContact CA-O 3.27Å; L59-I74 HydrophobicContact CD2-CB 4.1Å; L59-I74 HydrophobicContact CD2-CD1 4.02Å; L59-I74 HydrophobicContact CD2-CG1 3.62Å; L59-I74 HydrophobicContact CD2-CG2 3.87Å
60T98.1Very high95.7Very high30 Ų3065.6 Ų65.618%0.18435%0.354CS..EExtended strand (participates in β ladder)trans-124.4118.4170.1-58.50000108.9T53 K54 H55 H73T53-T60 HydrophobicContact CG2-CG2 3.67Å; K54-T60 CarbonylContact O-C 3.57Å; K54-T60 WeakPolarHBondContact O-CA 3.36Å; H55-T60 PolarHBondContact CD2-OG1 2.91Å; H55-T60 VanDerWaalsContact CD2-OG1 3.27Å; T60-H73 PolarHBondContact N-O 3.31Å; T60-H73 PolarHBondContact O-N 2.89Å
61S97.6Very high95.9Very high0 Ų064.5 Ų64.50%035%0.347CS..EExtended strand (participates in β ladder)trans-106.9133.6171.8179.30000110.4W34 N49 T53 K54 S71W34-S61 PolarHBondContact NE1-OG 2.95Å; N49-S61 PolarHBondContact ND2-O 2.97Å; T53-S61 CarbonylContact C-O 3.37Å; T53-S61 WeakPolarHBondContact CA-O 3.17Å; K54-S61 PolarHBondContact N-O 2.86Å; K54-S61 PolarHBondContact O-N 2.82Å; S61-S71 CarbonylContact C-O 3.56Å; S61-S71 WeakPolarHBondContact CA-O 3.44Å; S61-S71 PolarHBondContact OG-O 2.93Å; S61-S71 VanDerWaalsContact OG-O 3.13Å
62T97.6Very high96.1Very high42 Ų4260.9 Ų60.926%0.25832%0.321SS..EExtended strand (participates in β ladder)trans-124.2120175.5-63.20000109.6G52 T53 V64 S70 S71G52-T62 CarbonylContact O-C 3.59Å; G52-T62 WeakPolarHBondContact O-CA 3.25Å; T53-T62 WeakPolarHBondContact CG2-OG1 3.48Å; T53-T62 WeakPolarHBondContact OG1-CG2 3.32Å; T53-T62 PolarHBondContact OG1-OG1 3.27Å; T62-V64 HydrophobicContact CG2-CG2 4.24Å; T62-S70 CarbonylContact O-C 3.59Å; T62-S70 WeakPolarHBondContact O-CA 3.46Å; T62-S70 PolarHBondContact O-OG 3.27Å; T62-S71 PolarHBondContact N-O 2.99Å; T62-S71 PolarHBondContact O-N 2.81Å
63T96.7Very high96.2Very high6 Ų662 Ų624%0.03732%0.317CS..EExtended strand (participates in β ladder)trans-112.4120.1177.4-64.60000110.2L32 N49 P50 G52 T65 S70L32-T63 HydrophobicContact CD1-CG2 3.58Å; N49-T63 PolarHBondContact O-OG1 2.83Å; N49-T63 WeakPolarHBondContact OD1-CB 3.39Å; N49-T63 PolarHBondContact OD1-OG1 3.39Å; P50-T63 WeakPolarHBondContact O-CG2 3.47Å; G52-T63 PolarHBondContact N-O 2.83Å; G52-T63 PolarHBondContact O-N 2.95Å; T63-T65 HydrophobicContact CG2-CG2 4.08Å; T63-S70 WeakPolarHBondContact OG1-CB 3.37Å; T63-S70 PolarHBondContact OG1-OG 3.27Å
64V95.2Very high96.2Very high46 Ų4657.6 Ų57.628%0.27929%0.289SS..EExtended strand (participates in β ladder)trans-110.893.2174.5-171.20000108.5T62 K66 E67 R68 R69T62-V64 HydrophobicContact CG2-CG2 4.24Å; V64-K66 VanDerWaalsContact C-N 3.28Å; V64-K66 PolarHBondContact O-N 2.85Å; V64-E67 HydrophobicContact CB-CB 4.1Å; V64-E67 HydrophobicContact CB-CG 4.3Å; V64-E67 HydrophobicContact CG1-CB 3.92Å; V64-E67 HydrophobicContact CG1-CG 3.69Å; V64-E67 CarbonylContact O-C 3.53Å; V64-E67 PolarHBondContact O-N 2.99Å; V64-R68 PolarHBondContact O-N 2.79Å; V64-R69 PolarHBondContact N-O 3.41Å; V64-R69 PolarHBondContact O-N 3.05Å
65T91.8Very high96.3Very high59 Ų5955.4 Ų55.436%0.36229%0.285SS..G310 helixtrans-60.5-35.1-17453.50000113.1P50 T63 E67 R68P50-T65 VanDerWaalsContact O-CG2 3.26Å; P50-T65 WeakPolarHBondContact O-CG2 3.44Å; T63-T65 HydrophobicContact CG2-CG2 4.08Å; T65-E67 VanDerWaalsContact C-N 3.31Å; T65-E67 PolarHBondContact O-N 3.13Å; T65-R68 PolarHBondContact O-N 2.94Å; T65-R68 VanDerWaalsContact O-N 3.12Å
66K92.4Very high96.4Very high198 Ų19852 Ų5286%0.86128%0.276SS*.G310 helixtrans-63.1-35.9175.5-67.8-175.2179.7179.90112.7V64 R68V64-K66 VanDerWaalsContact C-N 3.28Å; V64-K66 PolarHBondContact O-N 2.85Å; K66-R68 VanDerWaalsContact C-N 3.32Å
67E94.4Very high96.5Very high117 Ų11749.4 Ų49.455%0.54726%0.26SS..G310 helixtrans-86.3-6.5176.6-67.6173.8-155.700112.4V64 T65 R69V64-E67 HydrophobicContact CB-CB 4.1Å; V64-E67 HydrophobicContact CB-CG 4.3Å; V64-E67 HydrophobicContact CG1-CB 3.92Å; V64-E67 HydrophobicContact CG1-CG 3.69Å; V64-E67 CarbonylContact O-C 3.53Å; V64-E67 PolarHBondContact O-N 2.99Å; T65-E67 VanDerWaalsContact C-N 3.31Å; T65-E67 PolarHBondContact O-N 3.13Å; E67-R69 HydrophobicContact CB-CB 4.23Å; E67-R69 PolarHBondContact O-N 3.33Å; E67-R69 IonicContact OE2-CZ 3.25Å; E67-R69 IonicContact OE2-NE 3.74Å; E67-R69 PolarHBondContact OE2-NE 3.3Å; E67-R69 IonicContact OE2-NH2 3.78Å; E67-R69 PolarHBondContact OE2-NH2 3.45Å; E67-R69 VanDerWaalsContact OE2-NH2 3.17Å
68R94.3Very high96.5Very high124 Ų12450.4 Ų50.447%0.46825%0.249SC..THydrogen-bonded Turntrans51.642.8-173.2-52176-170.5162.36.8111.7N24 F25 S26 V64 T65 K66N24-R68 CarbonylContact C-O 3.57Å; N24-R68 WeakPolarHBondContact CA-O 3.32Å; F25-R68 HydrophobicContact CB-CB 4.44Å; F25-R68 VanDerWaalsContact CD2-O 3.31Å; F25-R68 WeakPolarHBondContact CD2-O 3.38Å; F25-R68 PolarHBondContact N-O 2.84Å; F25-R68 VanDerWaalsContact O-CB 3.29Å; F25-R68 WeakPolarHBondContact O-CB 3.47Å; S26-R68 PolarHBondContact O-NH1 3.12Å; V64-R68 PolarHBondContact O-N 2.79Å; T65-R68 PolarHBondContact O-N 2.94Å; T65-R68 VanDerWaalsContact O-N 3.12Å; K66-R68 VanDerWaalsContact C-N 3.32Å
69R95.9Very high96.5Very high79 Ų7952.6 Ų52.630%0.29827%0.269SS..EExtended strand (participates in β ladder)trans-130.6145-177.8-176.3170.768.8115.32.7111C23 N24 V64 E67C23-R69 CarbonylContact O-C 3.48Å; C23-R69 WeakPolarHBondContact O-CA 3.31Å; N24-R69 VanDerWaalsContact OD1-CG 3.3Å; N24-R69 WeakPolarHBondContact OD1-CG 3.2Å; V64-R69 PolarHBondContact N-O 3.41Å; V64-R69 PolarHBondContact O-N 3.05Å; E67-R69 HydrophobicContact CB-CB 4.23Å; E67-R69 PolarHBondContact O-N 3.33Å; E67-R69 IonicContact OE2-CZ 3.25Å; E67-R69 IonicContact OE2-NE 3.74Å; E67-R69 PolarHBondContact OE2-NE 3.3Å; E67-R69 IonicContact OE2-NH2 3.78Å; E67-R69 PolarHBondContact OE2-NH2 3.45Å; E67-R69 VanDerWaalsContact OE2-NH2 3.17Å
70S96.9Very high96.3Very high1 Ų155.8 Ų55.81%0.00729%0.289CS..EExtended strand (participates in β ladder)trans-132.4149.3162.3-176.40000110.1C23 L32 W34 T62 T63C23-S70 PolarHBondContact N-O 3.05Å; C23-S70 PolarHBondContact O-N 3.36Å; L32-S70 WeakPolarHBondContact CD2-OG 3.16Å; W34-S70 PolarHBondContact NE1-OG 3.29Å; T62-S70 CarbonylContact O-C 3.59Å; T62-S70 WeakPolarHBondContact O-CA 3.46Å; T62-S70 PolarHBondContact O-OG 3.27Å; T63-S70 WeakPolarHBondContact OG1-CB 3.37Å; T63-S70 PolarHBondContact OG1-OG 3.27Å
71S97.9Very high96.2Very high17 Ų1755.7 Ų55.712%0.11929%0.287CS..EExtended strand (participates in β ladder)trans-123.3154169.561.50000110.7L21 S61 T62L21-S71 CarbonylContact O-C 3.48Å; L21-S71 WeakPolarHBondContact O-CA 3.47Å; L21-S71 WeakPolarHBondContact O-CB 3.41Å; S61-S71 CarbonylContact C-O 3.56Å; S61-S71 WeakPolarHBondContact CA-O 3.44Å; S61-S71 PolarHBondContact OG-O 2.93Å; S61-S71 VanDerWaalsContact OG-O 3.13Å; T62-S71 PolarHBondContact N-O 2.99Å; T62-S71 PolarHBondContact O-N 2.81Å
72L98.4Very high96.2Very high0 Ų059.6 Ų59.60%032%0.315CS..EExtended strand (participates in β ladder)trans-124.7114.7167.8179.168.3000107.8L21 W34 L46 L59 I74 Y85L21-L72 HydrophobicContact CB-CB 4.41Å; L21-L72 HydrophobicContact CD1-CD2 4.39Å; L21-L72 PolarHBondContact N-O 3.08Å; L21-L72 PolarHBondContact O-N 3.23Å; W34-L72 HydrophobicContact CB-CD2 4.31Å; W34-L72 HydrophobicContact CD2-CB 3.69Å; W34-L72 HydrophobicContact CD2-CD2 3.92Å; W34-L72 HydrophobicContact CD2-CG 4.32Å; W34-L72 HydrophobicContact CE3-CB 4Å; W34-L72 HydrophobicContact CE3-CD2 3.82Å; W34-L72 HydrophobicContact CG-CB 4.21Å; W34-L72 HydrophobicContact CG-CD1 4.45Å; W34-L72 HydrophobicContact CG-CD2 4.13Å; W34-L72 HydrophobicContact CH2-CB 4.02Å; W34-L72 HydrophobicContact CZ2-CB 3.74Å; W34-L72 HydrophobicContact CZ3-CB 4.15Å; W34-L72 HydrophobicContact CZ3-CD2 4.43Å; L46-L72 HydrophobicContact CD2-CD2 3.71Å; L59-L72 HydrophobicContact CB-CD1 4.29Å; L72-I74 HydrophobicContact CG-CG1 4.48Å; L72-Y85 HydrophobicContact CD2-CD1 3.63Å; L72-Y85 HydrophobicContact CD2-CE1 4.06Å
73H98.3Very high96.2Very high60 Ų6059 Ų5928%0.27832%0.318SS..EExtended strand (participates in β ladder)trans-100.8132.7173.6176.4-111.2000109.6A19 L59 T60A19-H73 CarbonylContact O-C 3.56Å; A19-H73 VanDerWaalsContact O-CA 3.3Å; A19-H73 WeakPolarHBondContact O-CA 3.47Å; A19-H73 PolarHBondContact O-CD2 3.29Å; A19-H73 VanDerWaalsContact O-CD2 3.24Å; L59-H73 CarbonylContact C-O 3.58Å; L59-H73 WeakPolarHBondContact CA-O 3.27Å; T60-H73 PolarHBondContact N-O 3.31Å; T60-H73 PolarHBondContact O-N 2.89Å
74I98.1Very high96.2Very high4 Ų462.2 Ų62.22%0.02134%0.337CS..EExtended strand (participates in β ladder)trans-116.8111.2175.7-46.3-173.4000106.9N18 A19 R58 L59 L72 Y85N18-I74 WeakPolarHBondContact CA-O 3.44Å; A19-I74 HydrophobicContact CB-CB 4.13Å; A19-I74 HydrophobicContact CB-CG1 4.39Å; A19-I74 PolarHBondContact N-O 2.86Å; A19-I74 PolarHBondContact O-N 3.32Å; R58-I74 WeakPolarHBondContact O-CA 3.36Å; L59-I74 HydrophobicContact CD2-CB 4.1Å; L59-I74 HydrophobicContact CD2-CD1 4.02Å; L59-I74 HydrophobicContact CD2-CG1 3.62Å; L59-I74 HydrophobicContact CD2-CG2 3.87Å; L72-I74 HydrophobicContact CG-CG1 4.48Å; I74-Y85 HydrophobicContact CD1-CE1 3.75Å; I74-Y85 HydrophobicContact CD1-CE2 4.15Å; I74-Y85 WeakPolarHBondContact CD1-OH 3.29Å
75S98Very high96.3Very high38 Ų3861.5 Ų61.527%0.26633%0.33SS..SBendtrans-83.5140.1176.6620000111N18 R58N18-S75 VanDerWaalsContact OD1-CA 3.31Å; N18-S75 WeakPolarHBondContact OD1-CA 3.31Å; R58-S75 WeakPolarHBondContact CA-OG 3.49Å; R58-S75 WeakPolarHBondContact CB-O 3.48Å; R58-S75 WeakPolarHBondContact CD-O 3.33Å; R58-S75 PolarHBondContact NH1-O 3.01Å; R58-S75 PolarHBondContact O-N 3.48Å; R58-S75 PolarHBondContact O-OG 3.49Å
76S97.7Very high96.6Very high59 Ų5962.2 Ų62.241%0.41333%0.328SS..SBendtrans49.365.4175.2-178.10000111.8N18 R58N18-S76 PolarHBondContact OD1-N 3.05Å; R58-S76 PolarHBondContact NH1-O 2.92Å
77S97.1Very high96.7Very high13 Ų1353.2 Ų53.29%0.09129%0.29CS..  trans-53142.6-176.4-57.80000111.5E15 G16 E17 D81E15-S77 CarbonylContact C-O 3.57Å; E15-S77 WeakPolarHBondContact CA-O 3.42Å; E15-S77 WeakPolarHBondContact CG-O 3.24Å; G16-S77 PolarHBondContact N-O 2.99Å; E17-S77 VanDerWaalsContact O-CB 3.23Å; E17-S77 WeakPolarHBondContact O-CB 3.41Å; E17-S77 PolarHBondContact O-N 3.16Å; E17-S77 PolarHBondContact O-OG 2.83Å; S77-D81 WeakPolarHBondContact CA-OD2 3.33Å
78Q97.1Very high96.6Very high83 Ų8351 Ų5139%0.38829%0.291SS..  trans-115.9159.1177.2-67.9176.6-4.400110R58 T80 D81R58-Q78 VanDerWaalsContact NH2-CD 3.33Å; Q78-T80 PolarHBondContact O-N 3.47Å; Q78-T80 VanDerWaalsContact O-N 3.09Å; Q78-D81 PolarHBondContact N-OD2 3.27Å; Q78-D81 VanDerWaalsContact O-CB 3.32Å; Q78-D81 WeakPolarHBondContact O-CB 3.37Å; Q78-D81 PolarHBondContact O-N 2.82Å
79T95Very high96.7Very high106 Ų10647.3 Ų47.365%0.6528%0.282SS*.G310 helixtrans-56.3-28.7175.752.80000113.2D81 S82T79-D81 VanDerWaalsContact C-N 3.28Å; T79-D81 PolarHBondContact O-N 3.27Å; T79-S82 WeakPolarHBondContact O-CB 3.41Å; T79-S82 PolarHBondContact O-N 3.04Å
80T94.6Very high96.8Very high89 Ų8945.6 Ų45.655%0.54628%0.281SS..G310 helixtrans-72.6-13.9176.452.40000114.5Y36 Q78 S82Y36-T80 PolarHBondContact OH-O 3.05Å; Q78-T80 PolarHBondContact O-N 3.47Å; Q78-T80 VanDerWaalsContact O-N 3.09Å; T80-S82 VanDerWaalsContact C-N 3.28Å
81D96Very high96.8Very high28 Ų2848.1 Ų48.115%0.1530%0.297CS..G310 helixtrans-81.3-10.5174.5-60.2-34000112.1R58 S77 Q78 T79 G83 Y85R58-D81 IonicContact CZ-OD1 2.84Å; R58-D81 IonicContact CZ-OD2 2.93Å; R58-D81 VanDerWaalsContact CZ-OD2 3.25Å; R58-D81 IonicContact NH1-OD1 3.84Å; R58-D81 IonicContact NH1-OD2 2.68Å; R58-D81 PolarHBondContact NH1-OD2 2.03Å; R58-D81 VanDerWaalsContact NH2-CG 3.28Å; R58-D81 IonicContact NH2-OD1 3.39Å; R58-D81 PolarHBondContact NH2-OD1 3.31Å; R58-D81 IonicContact NH2-OD2 3.17Å; R58-D81 PolarHBondContact NH2-OD2 3.05Å; S77-D81 WeakPolarHBondContact CA-OD2 3.33Å; Q78-D81 PolarHBondContact N-OD2 3.27Å; Q78-D81 VanDerWaalsContact O-CB 3.32Å; Q78-D81 WeakPolarHBondContact O-CB 3.37Å; Q78-D81 PolarHBondContact O-N 2.82Å; T79-D81 VanDerWaalsContact C-N 3.28Å; T79-D81 PolarHBondContact O-N 3.27Å; D81-G83 PolarHBondContact O-N 3.11Å; D81-Y85 WeakPolarHBondContact O-CE2 3.36Å; D81-Y85 PolarHBondContact O-OH 2.85Å; D81-Y85 VanDerWaalsContact O-OH 3.05Å
82S96.7Very high96.7Very high82 Ų8249.9 Ų49.957%0.57331%0.307SS*.  trans-62.7120.1178.3-173.90000111.2Y36 P39 T79 T80Y36-S82 PolarHBondContact OH-O 2.89Å; P39-S82 WeakPolarHBondContact CD-O 3.26Å; T79-S82 WeakPolarHBondContact O-CB 3.41Å; T79-S82 PolarHBondContact O-N 3.04Å; T80-S82 VanDerWaalsContact C-N 3.28Å
83G97Very high96.6Very high31 Ų3153.1 Ų53.132%0.3233%0.326SS..SBendtrans165.8-167178.900000111.8Q37 D81Q37-G83 CarbonylContact O-C 3.59Å; Q37-G83 WeakPolarHBondContact O-CA 3.25Å; D81-G83 PolarHBondContact O-N 3.11Å
84T97.5Very high96.5Very high73 Ų7352.6 Ų52.645%0.44833%0.33SS..EExtended strand (participates in β ladder)trans-102.6129.9179.9-49.50000110.1Y36 Q37 F86Y36-T84 CarbonylContact C-O 3.57Å; Q37-T84 PolarHBondContact N-O 3.5Å; Q37-T84 PolarHBondContact O-N 2.92Å; T84-F86 HydrophobicContact CG2-CD1 4.45Å; T84-F86 HydrophobicContact CG2-CD2 4.16Å; T84-F86 HydrophobicContact CG2-CE1 3.81Å; T84-F86 HydrophobicContact CG2-CE2 3.48Å; T84-F86 VanDerWaalsContact CG2-CE2 3.48Å; T84-F86 HydrophobicContact CG2-CZ 3.28Å
85Y97.6Very high96.4Very high30 Ų3056.1 Ų56.112%0.11835%0.352CS..EExtended strand (participates in β ladder)trans-107.2128.4177.4-70.3-99.1000109.8Q6 L21 F35 Y36 L46 L72 I74 D81Q6-Y85 PolarHBondContact NE2-O 2.91Å; L21-Y85 HydrophobicContact CD1-CD1 4.18Å; L21-Y85 HydrophobicContact CD1-CD2 3.96Å; L21-Y85 HydrophobicContact CD1-CG 3.57Å; F35-Y85 WeakPolarHBondContact O-CA 3.26Å; Y36-Y85 HydrophobicContact CD2-CD1 4.19Å; Y36-Y85 HydrophobicContact CD2-CD2 4.22Å; Y36-Y85 AromaticContact CD2-CE1 3.81Å; Y36-Y85 HydrophobicContact CD2-CE1 3.81Å; Y36-Y85 AromaticContact CD2-CE2 3.83Å; Y36-Y85 HydrophobicContact CD2-CE2 3.83Å; Y36-Y85 HydrophobicContact CD2-CG 4.39Å; Y36-Y85 AromaticContact CD2-CZ 3.61Å; Y36-Y85 AromaticContact CE2-CE2 3.95Å; Y36-Y85 HydrophobicContact CE2-CE2 3.95Å; Y36-Y85 AromaticContact CE2-CZ 3.88Å; Y36-Y85 HydrophobicContact CG-CE1 4.29Å; L46-Y85 HydrophobicContact CD2-CD1 3.77Å; L46-Y85 HydrophobicContact CD2-CE1 3.63Å; L72-Y85 HydrophobicContact CD2-CD1 3.63Å; L72-Y85 HydrophobicContact CD2-CE1 4.06Å; I74-Y85 HydrophobicContact CD1-CE1 3.75Å; I74-Y85 HydrophobicContact CD1-CE2 4.15Å; I74-Y85 WeakPolarHBondContact CD1-OH 3.29Å; D81-Y85 WeakPolarHBondContact O-CE2 3.36Å; D81-Y85 PolarHBondContact O-OH 2.85Å; D81-Y85 VanDerWaalsContact O-OH 3.05Å
86F96.9Very high96.2Very high75 Ų7557.5 Ų57.533%0.32936%0.358SS..EExtended strand (participates in β ladder)trans-117.7149.9-180-56.9-90.3000110.6W34 F35 Q37 L43 T84W34-F86 CarbonylContact C-O 3.5Å; W34-F86 WeakPolarHBondContact CA-O 3.41Å; F35-F86 HydrophobicContact CB-CB 4.27Å; F35-F86 PolarHBondContact N-O 2.78Å; F35-F86 PolarHBondContact O-N 3.13Å; Q37-F86 HydrophobicContact CB-CE2 3.98Å; L43-F86 HydrophobicContact CD1-CD2 3.44Å; L43-F86 VanDerWaalsContact CD1-CD2 3.44Å; L43-F86 HydrophobicContact CD1-CE2 3.81Å; L43-F86 HydrophobicContact CD1-CG 4.35Å; T84-F86 HydrophobicContact CG2-CD1 4.45Å; T84-F86 HydrophobicContact CG2-CD2 4.16Å; T84-F86 HydrophobicContact CG2-CE1 3.81Å; T84-F86 HydrophobicContact CG2-CE2 3.48Å; T84-F86 VanDerWaalsContact CG2-CE2 3.48Å; T84-F86 HydrophobicContact CG2-CZ 3.28Å
87C95.1Very high96.1Very high8 Ų857.3 Ų57.35%0.05435%0.354CS..EExtended strand (participates in β ladder)trans-123.3132.1175.3172.70000109.2Q6 C23 F25 Q33 W34Q6-C87 HydrophobicContact CG-CB 4.18Å; C23-C87 HydrophobicContact CB-CB 3.58Å; C23-C87 WeakPolarHBondContact CB-SG 3.43Å; C23-C87 WeakPolarHBondContact SG-CB 3.47Å; C23-C87 CovalentContact SG-SG 2.03Å; C23-C87 PolarHBondContact SG-SG 2.92Å; F25-C87 VanDerWaalsContact CE1-SG 3.54Å; F25-C87 WeakPolarHBondContact CZ-SG 3.37Å; Q33-C87 WeakPolarHBondContact O-CA 3.47Å; W34-C87 HydrophobicContact CD2-CB 4.21Å; W34-C87 HydrophobicContact CE3-CB 3.95Å; W34-C87 HydrophobicContact CH2-CB 3.93Å; W34-C87 HydrophobicContact CZ2-CB 4.15Å; W34-C87 HydrophobicContact CZ3-CB 3.81Å
88A92.9Very high96Very high70 Ų7061.4 Ų61.458%0.57938%0.378SS*.  trans-146.20-179.900000112.7L32 Q33 F35L32-A88 CarbonylContact C-O 3.54Å; L32-A88 VanDerWaalsContact CA-O 3.31Å; L32-A88 WeakPolarHBondContact CA-O 3.31Å; Q33-A88 PolarHBondContact N-O 2.84Å; Q33-A88 PolarHBondContact O-N 2.82Å; F35-A88 HydrophobicContact CE2-CB 3.99Å

Retrieved 88 of 88 residues in 115.2 ms (Link to these results)

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