A0A087XYH4_POEFO Loading...

TBP-like 1

AlphaFold DB , UniProt , Accession A0A087XYH4, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 126 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
1K28.1Very low63.3Low258 Ų258116.5 Ų116.5100%1.12258%0.575SS**  094.30-72.3179.9178.4175.80107.1
2Y38.6Very low65.5Low210 Ų210113.9 Ų113.982%0.82457%0.565SS**  trans-74.2136.6-177.3-66.6-86.2000109.6N4Y2-N4 PolarHBondContact O-N 3.26Å
3C42.8Very low67.4Low87 Ų87107.5 Ų107.559%0.58855%0.546SS*.  trans-62.2121.8-179.7-173.90000110.1
4N48.2Very low69.1Low141 Ų141101.9 Ų101.975%0.75452%0.524SS*.  trans-96.717.6-173.8-99.8-17.8000113.8Y2 C6Y2-N4 PolarHBondContact O-N 3.26Å; N4-C6 PolarHBondContact O-N 3.18Å
5I58.9Low70.8Confident118 Ų118104.3 Ų104.361%0.60552%0.524SS*.  trans-78.196.5-179.4-53.8175.2000108.9E9I5-E9 HydrophobicContact CG2-CB 4.37Å
6C69.3Low72.3Confident61 Ų61108.1 Ų108.141%0.41253%0.53SS..  trans-79154.9172.5-171.40000110.3N4 E8 E9 A10N4-C6 PolarHBondContact O-N 3.18Å; C6-E8 PolarHBondContact O-N 3.22Å; C6-E8 VanDerWaalsContact O-N 3.07Å; C6-E9 PolarHBondContact O-N 3.34Å; C6-A10 PolarHBondContact O-N 3.19Å
7E76.5Confident73.5Confident75 Ų75108.8 Ų108.835%0.3554%0.536SS..Hα-helixtrans-49.8-35.2175.7-178.5177.4173.800112.7E9 A10 K11 F33 V35E7-E9 PolarHBondContact O-N 3.39Å; E7-A10 PolarHBondContact O-N 3.09Å; E7-K11 WeakPolarHBondContact O-CB 3.49Å; E7-K11 PolarHBondContact O-N 3.45Å; E7-F33 HydrophobicContact CG-CE1 4.36Å; E7-V35 HydrophobicContact CG-CG2 3.97Å
8E80Confident74.7Confident119 Ų119103.4 Ų103.456%0.55651%0.511SS*.Hα-helixtrans-64.1-38.1177.2-68.1-57.8145.900113.1C6 K11 L12C6-E8 PolarHBondContact O-N 3.22Å; C6-E8 VanDerWaalsContact O-N 3.07Å; E8-K11 PolarHBondContact O-N 3.05Å; E8-L12 WeakPolarHBondContact O-CB 3.5Å; E8-L12 PolarHBondContact O-N 3.03Å
9E83.2Confident75.8Confident110 Ų110105.6 Ų105.651%0.51451%0.513SS..Hα-helixtrans-68.8-40.8176-65-166158.300111.2I5 C6 E7 K11 L12 G13I5-E9 HydrophobicContact CG2-CB 4.37Å; C6-E9 PolarHBondContact O-N 3.34Å; E7-E9 PolarHBondContact O-N 3.39Å; E9-K11 VanDerWaalsContact C-N 3.33Å; E9-K11 PolarHBondContact O-N 3.35Å; E9-L12 PolarHBondContact O-N 3.44Å; E9-G13 PolarHBondContact O-N 3.03Å
10A83.5Confident76.8Confident41 Ų41104.1 Ų104.134%0.33951%0.513SS..Hα-helixtrans-61.4-43175.400000111.3C6 E7 G13 A14 F33C6-A10 PolarHBondContact O-N 3.19Å; E7-A10 PolarHBondContact O-N 3.09Å; A10-G13 PolarHBondContact O-N 3.4Å; A10-A14 PolarHBondContact O-N 2.92Å; A10-F33 HydrophobicContact CB-CZ 4.16Å
11K87.5Confident77.7Confident61 Ų61102.7 Ų102.727%0.26551%0.507SS..Hα-helixtrans-65.2-41.1176.1-170.9177.5-177.8179.20112.1E7 E8 E9 A14 R15 F30 F33E7-K11 WeakPolarHBondContact O-CB 3.49Å; E7-K11 PolarHBondContact O-N 3.45Å; E8-K11 PolarHBondContact O-N 3.05Å; E9-K11 VanDerWaalsContact C-N 3.33Å; E9-K11 PolarHBondContact O-N 3.35Å; K11-A14 PolarHBondContact O-N 2.9Å; K11-R15 WeakPolarHBondContact O-CG 3.47Å; K11-R15 PolarHBondContact O-N 3.35Å; K11-F30 HydrophobicContact CG-CZ 4.29Å; K11-F33 HydrophobicContact CB-CD1 4.12Å; K11-F33 HydrophobicContact CB-CE1 3.74Å; K11-F33 HydrophobicContact CB-CE2 4.31Å; K11-F33 HydrophobicContact CB-CZ 3.84Å; K11-F33 HydrophobicContact CD-CD1 4.23Å; K11-F33 HydrophobicContact CD-CE1 4.48Å; K11-F33 HydrophobicContact CG-CD1 3.95Å; K11-F33 HydrophobicContact CG-CE1 4.1Å; K11-F33 HydrophobicContact CG-CG 4.17Å; K11-F33 HydrophobicContact CG-CZ 4.46Å
12L89.9Confident81Confident86 Ų8694 Ų9445%0.4547%0.47SS..Hα-helixtrans-62.9-44.1175.2-177.663.1000111.4E8 E9 R15 R16E8-L12 WeakPolarHBondContact O-CB 3.5Å; E8-L12 PolarHBondContact O-N 3.03Å; E9-L12 PolarHBondContact O-N 3.44Å; L12-R15 PolarHBondContact O-N 2.98Å; L12-R16 WeakPolarHBondContact O-CG 3.49Å; L12-R16 PolarHBondContact O-N 3.2Å
13G89.5Confident83.7Confident31 Ų3191.9 Ų91.932%0.3247%0.465SS..Hα-helixtrans-58.3-47.8173.900000112.3E9 A10 R15 R16 L17E9-G13 PolarHBondContact O-N 3.03Å; A10-G13 PolarHBondContact O-N 3.4Å; G13-R15 VanDerWaalsContact C-N 3.32Å; G13-R15 PolarHBondContact O-N 3.1Å; G13-R16 WeakPolarHBondContact O-CB 3.47Å; G13-R16 PolarHBondContact O-N 3.27Å; G13-R16 VanDerWaalsContact O-N 3.14Å; G13-L17 PolarHBondContact O-N 3Å
14A91.4Very high86.2Confident29 Ų2993.8 Ų93.824%0.2447%0.469CS..Hα-helixtrans-61.3-38.6177.100000112.6A10 K11 L17 A18 F30 F33A10-A14 PolarHBondContact O-N 2.92Å; K11-A14 PolarHBondContact O-N 2.9Å; A14-L17 PolarHBondContact O-N 3.04Å; A14-A18 PolarHBondContact O-N 3.37Å; A14-F30 HydrophobicContact CB-CE2 3.81Å; A14-F30 HydrophobicContact CB-CZ 4.33Å; A14-F33 HydrophobicContact CB-CD2 3.97Å; A14-F33 HydrophobicContact CB-CE2 3.8Å
15R94Very high88.5Confident137 Ų13790.1 Ų90.152%0.51747%0.465SS..Hα-helixtrans-63.9-41.4173.6-76.5176.3170-176.3-3112.5K11 L12 G13 L17 A18 R19 F30K11-R15 WeakPolarHBondContact O-CG 3.47Å; K11-R15 PolarHBondContact O-N 3.35Å; L12-R15 PolarHBondContact O-N 2.98Å; G13-R15 VanDerWaalsContact C-N 3.32Å; G13-R15 PolarHBondContact O-N 3.1Å; R15-L17 VanDerWaalsContact C-N 3.33Å; R15-L17 PolarHBondContact O-N 3.49Å; R15-A18 PolarHBondContact O-N 3.32Å; R15-R19 PolarHBondContact O-N 3.02Å; R15-F30 HydrophobicContact CG-CD1 4.04Å; R15-F30 HydrophobicContact CG-CD2 4.16Å; R15-F30 HydrophobicContact CG-CE1 3.77Å; R15-F30 HydrophobicContact CG-CE2 3.89Å; R15-F30 HydrophobicContact CG-CG 4.23Å; R15-F30 HydrophobicContact CG-CZ 3.68Å
16R94.9Very high90.2Very high165 Ų16590.6 Ų90.662%0.62346%0.463SS*.Hα-helixtrans-60.7-43.7176.1-72.9175178.7179.40.6111L12 G13 R19 C20L12-R16 WeakPolarHBondContact O-CG 3.49Å; L12-R16 PolarHBondContact O-N 3.2Å; G13-R16 WeakPolarHBondContact O-CB 3.47Å; G13-R16 PolarHBondContact O-N 3.27Å; G13-R16 VanDerWaalsContact O-N 3.14Å; R16-R19 WeakPolarHBondContact O-CB 3.37Å; R16-R19 PolarHBondContact O-N 2.97Å; R16-C20 PolarHBondContact O-N 3.28Å; R16-C20 PolarHBondContact O-SG 3.14Å; R16-C20 VanDerWaalsContact O-SG 3.35Å
17L94Very high91.4Very high121 Ų12198.1 Ų98.163%0.63449%0.489SS*.Hα-helixtrans-61-47175.3-69173.3000112.1G13 A14 R15 R19 C20 L21G13-L17 PolarHBondContact O-N 3Å; A14-L17 PolarHBondContact O-N 3.04Å; R15-L17 VanDerWaalsContact C-N 3.33Å; R15-L17 PolarHBondContact O-N 3.49Å; L17-R19 PolarHBondContact O-N 3.39Å; L17-C20 WeakPolarHBondContact O-CB 3.45Å; L17-C20 PolarHBondContact O-N 3.14Å; L17-C20 VanDerWaalsContact O-N 3.1Å; L17-L21 PolarHBondContact O-N 2.96Å
18A94.9Very high92.3Very high11 Ų1196.4 Ų96.49%0.09148%0.483CS..Hα-helixtrans-57.7-38.3176.100000111.8A14 R15 L21 Q22 V28 F30A14-A18 PolarHBondContact O-N 3.37Å; R15-A18 PolarHBondContact O-N 3.32Å; A18-L21 PolarHBondContact O-N 3.4Å; A18-Q22 WeakPolarHBondContact O-CG 3.45Å; A18-Q22 PolarHBondContact O-N 3.39Å; A18-V28 HydrophobicContact CB-CG1 4.13Å; A18-F30 HydrophobicContact CB-CB 4.49Å; A18-F30 HydrophobicContact CB-CD2 4.14Å
19R95.6Very high92.8Very high146 Ų146101.9 Ų101.955%0.55150%0.499SS*.Hα-helixtrans-68.2-38.4176.4-171.457.2173.3176.11.7112.7R15 R16 L17 L21 Q22 K23R15-R19 PolarHBondContact O-N 3.02Å; R16-R19 WeakPolarHBondContact O-CB 3.37Å; R16-R19 PolarHBondContact O-N 2.97Å; L17-R19 PolarHBondContact O-N 3.39Å; R19-L21 VanDerWaalsContact C-N 3.34Å; R19-Q22 PolarHBondContact O-N 2.88Å; R19-K23 WeakPolarHBondContact O-CG 3.42Å; R19-K23 PolarHBondContact O-N 3.46Å; R19-K23 VanDerWaalsContact O-N 3.09Å
20C95.9Very high93.2Very high74 Ų74100.3 Ų100.350%0.549%0.491SS..Hα-helixtrans-60.5-44.7173.5-67.80000111.2R16 L17 Q22 K23 L24R16-C20 PolarHBondContact O-N 3.28Å; R16-C20 PolarHBondContact O-SG 3.14Å; R16-C20 VanDerWaalsContact O-SG 3.35Å; L17-C20 WeakPolarHBondContact O-CB 3.45Å; L17-C20 PolarHBondContact O-N 3.14Å; L17-C20 VanDerWaalsContact O-N 3.1Å; C20-Q22 PolarHBondContact O-N 2.98Å; C20-K23 WeakPolarHBondContact O-CB 3.49Å; C20-K23 PolarHBondContact O-N 2.94Å; C20-L24 WeakPolarHBondContact O-CG 3.38Å; C20-L24 PolarHBondContact O-N 3.28Å
21L95.6Very high93.6Very high76 Ų76102.9 Ų102.940%0.39851%0.506SS..Hα-helixtrans-63.5-39.1176.8-65.3172.2000112.5L17 A18 R19 K23 L24 F26 V28L17-L21 PolarHBondContact O-N 2.96Å; A18-L21 PolarHBondContact O-N 3.4Å; R19-L21 VanDerWaalsContact C-N 3.34Å; L21-K23 VanDerWaalsContact C-N 3.32Å; L21-K23 PolarHBondContact O-N 3.43Å; L21-L24 PolarHBondContact O-N 3.29Å; L21-F26 HydrophobicContact CD2-CD2 4.45Å; L21-F26 WeakPolarHBondContact O-CB 3.37Å; L21-F26 WeakPolarHBondContact O-CD2 3.4Å; L21-F26 PolarHBondContact O-N 3.5Å; L21-V28 HydrophobicContact CB-CG2 3.71Å; L21-V28 HydrophobicContact CD1-CG2 4.27Å
22Q96Very high93.5Very high74 Ų74104.8 Ų104.835%0.34653%0.533SS..Hα-helixtrans-60.6-40.8173.7-73.4175.3-11.300112.4A18 R19 C20 L24 G25 V28A18-Q22 WeakPolarHBondContact O-CG 3.45Å; A18-Q22 PolarHBondContact O-N 3.39Å; R19-Q22 PolarHBondContact O-N 2.88Å; C20-Q22 PolarHBondContact O-N 2.98Å; Q22-L24 PolarHBondContact O-N 2.89Å; Q22-G25 PolarHBondContact O-N 3.31Å; Q22-V28 HydrophobicContact CG-CB 4.15Å; Q22-V28 PolarHBondContact NE2-O 2.93Å
23K96.1Very high93.3Very high166 Ų166103.8 Ų103.872%0.72253%0.525SS*.Hα-helixtrans-65.1-26.4177.5-72.9-178.6177.4-173.80112.8R19 C20 L21 G25R19-K23 WeakPolarHBondContact O-CG 3.42Å; R19-K23 PolarHBondContact O-N 3.46Å; R19-K23 VanDerWaalsContact O-N 3.09Å; C20-K23 WeakPolarHBondContact O-CB 3.49Å; C20-K23 PolarHBondContact O-N 2.94Å; L21-K23 VanDerWaalsContact C-N 3.32Å; L21-K23 PolarHBondContact O-N 3.43Å; K23-G25 PolarHBondContact O-N 3.33Å
24L96Very high92.9Very high127 Ų127111.5 Ų111.567%0.66555%0.545SS*.THydrogen-bonded Turntrans-80.14.4174.2-65.4171.3000113.2C20 L21 Q22 F26C20-L24 WeakPolarHBondContact O-CG 3.38Å; C20-L24 PolarHBondContact O-N 3.28Å; L21-L24 PolarHBondContact O-N 3.29Å; Q22-L24 PolarHBondContact O-N 2.89Å; L24-F26 HydrophobicContact CB-CD2 3.76Å; L24-F26 HydrophobicContact CB-CE2 3.83Å; L24-F26 HydrophobicContact CD1-CE2 4.44Å
25G95.8Very high92.3Very high65 Ų65111.7 Ų111.767%0.6754%0.543SS*.THydrogen-bonded Turntrans89.71.2177.600000114.7Q22 K23Q22-G25 PolarHBondContact O-N 3.31Å; K23-G25 PolarHBondContact O-N 3.33Å
26F95.6Very high91.5Very high127 Ų127109.4 Ų109.456%0.55754%0.544SS*.  trans-76.1134.5176.2-62.3-79.2000111.4L21 L24 V28L21-F26 HydrophobicContact CD2-CD2 4.45Å; L21-F26 WeakPolarHBondContact O-CB 3.37Å; L21-F26 WeakPolarHBondContact O-CD2 3.4Å; L21-F26 PolarHBondContact O-N 3.5Å; L24-F26 HydrophobicContact CB-CD2 3.76Å; L24-F26 HydrophobicContact CB-CE2 3.83Å; L24-F26 HydrophobicContact CD1-CE2 4.44Å; F26-V28 VanDerWaalsContact C-N 3.28Å; F26-V28 HydrophobicContact CB-CG2 3.8Å; F26-V28 PolarHBondContact O-N 3.07Å
27K93.9Very high90.6Very high219 Ų219105.5 Ų105.595%0.95254%0.535SS*.  trans-75.377.1173.2-70.6-179.4-178.6175.70110.8
28V94.6Very high89.7Confident40 Ų40102 Ų10224%0.24252%0.519CS..  trans-98.5132-179.3-178.90000111.5A18 L21 Q22 F26A18-V28 HydrophobicContact CB-CG1 4.13Å; L21-V28 HydrophobicContact CB-CG2 3.71Å; L21-V28 HydrophobicContact CD1-CG2 4.27Å; Q22-V28 HydrophobicContact CG-CB 4.15Å; Q22-V28 PolarHBondContact NE2-O 2.93Å; F26-V28 VanDerWaalsContact C-N 3.28Å; F26-V28 HydrophobicContact CB-CG2 3.8Å; F26-V28 PolarHBondContact O-N 3.07Å
29R92Very high89Confident233 Ų233106.3 Ų106.388%0.87954%0.54SS*.  trans-113.3136.8169.1-60.2-174-167.1-169.24.2109.5
30F90.9Very high88.3Confident78 Ų78100.3 Ų100.334%0.34252%0.521SS..  trans-93.8109.7176.3-173.8-93.8000109.7K11 A14 R15 A18 F33K11-F30 HydrophobicContact CG-CZ 4.29Å; A14-F30 HydrophobicContact CB-CE2 3.81Å; A14-F30 HydrophobicContact CB-CZ 4.33Å; R15-F30 HydrophobicContact CG-CD1 4.04Å; R15-F30 HydrophobicContact CG-CD2 4.16Å; R15-F30 HydrophobicContact CG-CE1 3.77Å; R15-F30 HydrophobicContact CG-CE2 3.89Å; R15-F30 HydrophobicContact CG-CG 4.23Å; R15-F30 HydrophobicContact CG-CZ 3.68Å; A18-F30 HydrophobicContact CB-CB 4.49Å; A18-F30 HydrophobicContact CB-CD2 4.14Å; F30-F33 HydrophobicContact CE1-CB 4.1Å; F30-F33 HydrophobicContact CE2-CD2 4.42Å; F30-F33 HydrophobicContact CZ-CB 3.75Å; F30-F33 AromaticContact CZ-CD2 3.96Å; F30-F33 HydrophobicContact CZ-CD2 3.96Å; F30-F33 HydrophobicContact CZ-CG 4.08Å
31S90.8Very high87.7Confident95 Ų95100.8 Ų100.866%0.66452%0.522SS*.  trans-147.4163.6178.658.90000110.6F33S31-F33 VanDerWaalsContact C-N 3.27Å; S31-F33 PolarHBondContact O-N 3.35Å; S31-F33 VanDerWaalsContact O-N 3.14Å
32A85.7Confident87Confident101 Ų10198.4 Ų98.484%0.83551%0.511SS*.  trans51.637.8173.700000115.4R34A32-R34 PolarHBondContact O-N 2.95Å
33F86.3Confident86.4Confident64 Ų6498.9 Ų98.928%0.28152%0.523SS..  trans-59.1128.9173.3176.5-94.9000110.2E7 A10 K11 A14 F30 S31 V35E7-F33 HydrophobicContact CG-CE1 4.36Å; A10-F33 HydrophobicContact CB-CZ 4.16Å; K11-F33 HydrophobicContact CB-CD1 4.12Å; K11-F33 HydrophobicContact CB-CE1 3.74Å; K11-F33 HydrophobicContact CB-CE2 4.31Å; K11-F33 HydrophobicContact CB-CZ 3.84Å; K11-F33 HydrophobicContact CD-CD1 4.23Å; K11-F33 HydrophobicContact CD-CE1 4.48Å; K11-F33 HydrophobicContact CG-CD1 3.95Å; K11-F33 HydrophobicContact CG-CE1 4.1Å; K11-F33 HydrophobicContact CG-CG 4.17Å; K11-F33 HydrophobicContact CG-CZ 4.46Å; A14-F33 HydrophobicContact CB-CD2 3.97Å; A14-F33 HydrophobicContact CB-CE2 3.8Å; F30-F33 HydrophobicContact CE1-CB 4.1Å; F30-F33 HydrophobicContact CE2-CD2 4.42Å; F30-F33 HydrophobicContact CZ-CB 3.75Å; F30-F33 AromaticContact CZ-CD2 3.96Å; F30-F33 HydrophobicContact CZ-CD2 3.96Å; F30-F33 HydrophobicContact CZ-CG 4.08Å; S31-F33 VanDerWaalsContact C-N 3.27Å; S31-F33 PolarHBondContact O-N 3.35Å; S31-F33 VanDerWaalsContact O-N 3.14Å; F33-V35 HydrophobicContact CE1-CG2 4.01Å; F33-V35 HydrophobicContact CZ-CG2 4.11Å
34R81.9Confident85.8Confident194 Ų19492.5 Ų92.573%0.73250%0.496SS*.  trans-145.7131.9178.4-176.5176.868.1-168.70.5109.7A32A32-R34 PolarHBondContact O-N 2.95Å
35V78.4Confident85.3Confident32 Ų3292.5 Ų92.519%0.19450%0.503CS..  trans-75.6123.4168.1-178.50000108.6E7 F33 V38E7-V35 HydrophobicContact CG-CG2 3.97Å; F33-V35 HydrophobicContact CE1-CG2 4.01Å; F33-V35 HydrophobicContact CZ-CG2 4.11Å; V35-V38 HydrophobicContact CG1-CG2 3.9Å
36V76Confident84.8Confident90 Ų9093.6 Ų93.655%0.54549%0.49SS..  trans-105.1-25.3-176.1-66.50000113.1
37N76.3Confident84.5Confident82 Ų8291 Ų9144%0.43949%0.492SS..EExtended strand (participates in β ladder)trans-148.4147.7-178.6-165.933.2000109.4T93 G94N37-T93 WeakPolarHBondContact ND2-CG2 3.47Å; N37-T93 WeakPolarHBondContact OD1-CG2 3.44Å; N37-G94 PolarHBondContact OD1-O 3.33Å
38V75.9Confident84.2Confident48 Ų4881.4 Ų81.429%0.29145%0.452SS..EExtended strand (participates in β ladder)trans-128.4139.5175.1-179.90000108.4V35 T93 G94 M111V35-V38 HydrophobicContact CG1-CG2 3.9Å; V38-T93 WeakPolarHBondContact O-CA 3.17Å; V38-G94 PolarHBondContact N-O 2.95Å; V38-G94 PolarHBondContact O-N 3.37Å; V38-G94 VanDerWaalsContact O-N 3.07Å; V38-M111 HydrophobicContact CB-CE 4.3Å; V38-M111 HydrophobicContact CB-SD 3.54Å; V38-M111 VanDerWaalsContact CB-SD 3.54Å; V38-M111 HydrophobicContact CG1-SD 3.88Å; V38-M111 HydrophobicContact CG2-CE 4.36Å; V38-M111 HydrophobicContact CG2-SD 3.99Å
39L80.6Confident84.1Confident102 Ų10286.6 Ų86.653%0.53447%0.473SS..EExtended strand (participates in β ladder)trans-116.2122.1173.3-173.970.1000108.2T91 V92 T93L39-T91 HydrophobicContact CD1-CG2 3.32Å; L39-T91 HydrophobicContact CG-CG2 4.2Å; L39-V92 CarbonylContact C-O 3.6Å; L39-V92 WeakPolarHBondContact CA-O 3.44Å; L39-T93 WeakPolarHBondContact CD1-OG1 3.34Å
40A80.6Confident84.1Confident19 Ų1975.9 Ų75.916%0.15743%0.433CS..EExtended strand (participates in β ladder)trans-114.2139.3172.200000109.5T91 V92 L115A40-T91 CarbonylContact O-C 3.55Å; A40-T91 WeakPolarHBondContact O-CA 3.36Å; A40-V92 HydrophobicContact CB-CB 4.4Å; A40-V92 PolarHBondContact N-O 3.23Å; A40-V92 PolarHBondContact O-N 2.77Å; A40-L115 HydrophobicContact CB-CD1 4.38Å; A40-L115 HydrophobicContact CB-CD2 3.58Å
41V81.7Confident84.2Confident84 Ų8476.7 Ų76.751%0.50944%0.444SS..EExtended strand (participates in β ladder)trans-126.9136.1176.7-177.40000108.5L90 T91V41-L90 WeakPolarHBondContact CA-O 3.42Å; V41-T91 HydrophobicContact CG2-CG2 4.26Å
42C82.6Confident84.2Confident27 Ų2776.2 Ų76.218%0.18243%0.434CS..EExtended strand (participates in β ladder)trans-144.8162.7179.239.40000109.4L90 F119C42-L90 PolarHBondContact N-O 2.83Å; C42-L90 PolarHBondContact O-N 3.32Å; C42-L90 VanDerWaalsContact O-O 3.13Å; C42-L90 VanDerWaalsContact SG-CB 3.58Å; C42-F119 HydrophobicContact CB-CZ 4.27Å; C42-F119 WeakPolarHBondContact SG-CZ 3.42Å
43S83.1Confident84.3Confident83 Ų8372 Ų7258%0.5840%0.397SS*.EExtended strand (participates in β ladder)trans-131.3129177.5-165.30000108.7
44M83.6Confident84.5Confident32 Ų3269.2 Ų69.216%0.15839%0.385CS..  trans-75.4153.2166.9-59.5-56.8-86.900109.4F46 G88 L90 F119 V125M44-F46 HydrophobicContact CB-CD2 4.35Å; M44-F46 HydrophobicContact CB-CE1 4.39Å; M44-F46 HydrophobicContact CB-CE2 4.23Å; M44-F46 HydrophobicContact CB-CG 4.49Å; M44-F46 HydrophobicContact CB-CZ 4.27Å; M44-F46 HydrophobicContact CE-CE1 3.81Å; M44-F46 HydrophobicContact CE-CE2 4.27Å; M44-F46 HydrophobicContact CE-CZ 3.42Å; M44-F46 VanDerWaalsContact CE-CZ 3.42Å; M44-F46 HydrophobicContact CG-CZ 4.44Å; M44-F46 PolarHBondContact O-N 3.07Å; M44-G88 WeakPolarHBondContact CB-O 3.08Å; M44-G88 PolarHBondContact N-O 3.48Å; M44-L90 HydrophobicContact CG-CD1 3.64Å; M44-L90 HydrophobicContact CG-CG 4.38Å; M44-L90 HydrophobicContact SD-CD1 3.96Å; M44-F119 HydrophobicContact CE-CD1 4.38Å; M44-F119 HydrophobicContact CE-CE1 4.27Å; M44-F119 HydrophobicContact SD-CD1 4.14Å; M44-F119 HydrophobicContact SD-CE1 3.51Å; M44-F119 VanDerWaalsContact SD-CE1 3.51Å; M44-F119 HydrophobicContact SD-CZ 4.41Å; M44-V125 HydrophobicContact CE-CG2 4.41Å
45P84.8Confident85Confident127 Ų12766.8 Ų66.883%0.82538%0.38SS*.SBendtrans-77.63.2175.831.7-33.3000113.1
46F85.4Confident85.5Confident89 Ų8971.4 Ų71.439%0.3940%0.404SS..SBendtrans-137.2154.9-176.353.4-102.7000112.2M44 V48 G88M44-F46 HydrophobicContact CB-CD2 4.35Å; M44-F46 HydrophobicContact CB-CE1 4.39Å; M44-F46 HydrophobicContact CB-CE2 4.23Å; M44-F46 HydrophobicContact CB-CG 4.49Å; M44-F46 HydrophobicContact CB-CZ 4.27Å; M44-F46 HydrophobicContact CE-CE1 3.81Å; M44-F46 HydrophobicContact CE-CE2 4.27Å; M44-F46 HydrophobicContact CE-CZ 3.42Å; M44-F46 VanDerWaalsContact CE-CZ 3.42Å; M44-F46 HydrophobicContact CG-CZ 4.44Å; M44-F46 PolarHBondContact O-N 3.07Å; F46-V48 HydrophobicContact CD2-CG2 4.49Å; F46-V48 HydrophobicContact CE2-CG2 4.45Å; F46-G88 WeakPolarHBondContact O-CA 3.18Å
47A89.2Confident85.9Confident73 Ų7368.3 Ų68.360%0.60338%0.384SS*.  trans-75.1156.3174.700000111.9S86A47-S86 CarbonylContact C-O 3.52Å; A47-S86 VanDerWaalsContact CA-O 3.26Å; A47-S86 WeakPolarHBondContact CA-O 3.49Å; A47-S86 VanDerWaalsContact CB-O 3.28Å; A47-S86 WeakPolarHBondContact CB-O 3.47Å
48V88.6Confident86.5Confident17 Ų1772.3 Ų72.310%0.10339%0.393CS..  trans-121.5126.7-177.2-177.20000111F46 L50 F53 V84 S86 F124F46-V48 HydrophobicContact CD2-CG2 4.49Å; F46-V48 HydrophobicContact CE2-CG2 4.45Å; V48-L50 HydrophobicContact CB-CD2 4.27Å; V48-L50 HydrophobicContact CG1-CD2 4.03Å; V48-L50 PolarHBondContact O-N 3.02Å; V48-L50 VanDerWaalsContact O-N 3.1Å; V48-F53 HydrophobicContact CG1-CB 4.3Å; V48-V84 HydrophobicContact CB-CG1 4.22Å; V48-V84 HydrophobicContact CG1-CG1 4.04Å; V48-V84 HydrophobicContact CG2-CG1 4.17Å; V48-S86 PolarHBondContact N-O 3.17Å; V48-S86 WeakPolarHBondContact O-CA 3.29Å; V48-F124 HydrophobicContact CG1-CD1 4.25Å; V48-F124 HydrophobicContact CG1-CE1 3.5Å; V48-F124 HydrophobicContact CG1-CZ 4.24Å
49H92.1Very high87.1Confident149 Ų14976.2 Ų76.269%0.6942%0.419SS*.  trans-76.592170.6-71.5-83.4000110.5V51 D52 F53H49-V51 VanDerWaalsContact C-N 3.31Å; H49-V51 PolarHBondContact O-N 3.36Å; H49-D52 HydrophobicContact CB-CB 4.35Å; H49-D52 PolarHBondContact O-N 2.92Å; H49-F53 WeakPolarHBondContact O-CB 3.47Å; H49-F53 PolarHBondContact O-N 3.22Å
50L92Very high87.4Confident7 Ų775.1 Ų75.14%0.03741%0.413CS..Hα-helixtrans-60.8-35-171.6-59.7-176.4000113.8V48 T54 Y63 P69 A71 V84V48-L50 HydrophobicContact CB-CD2 4.27Å; V48-L50 HydrophobicContact CG1-CD2 4.03Å; V48-L50 PolarHBondContact O-N 3.02Å; V48-L50 VanDerWaalsContact O-N 3.1Å; L50-T54 WeakPolarHBondContact O-CB 3.41Å; L50-T54 VanDerWaalsContact O-CG2 3.31Å; L50-T54 WeakPolarHBondContact O-CG2 3.46Å; L50-T54 PolarHBondContact O-N 2.98Å; L50-T54 PolarHBondContact O-OG1 3.11Å; L50-Y63 HydrophobicContact CB-CD1 3.9Å; L50-Y63 HydrophobicContact CB-CD2 4.32Å; L50-Y63 HydrophobicContact CB-CE1 3.82Å; L50-Y63 HydrophobicContact CB-CE2 4.24Å; L50-Y63 HydrophobicContact CB-CG 4.15Å; L50-Y63 HydrophobicContact CD1-CD2 4.07Å; L50-Y63 HydrophobicContact CD1-CE1 4.33Å; L50-Y63 HydrophobicContact CD1-CE2 3.48Å; L50-Y63 VanDerWaalsContact CD1-CE2 3.48Å; L50-P69 WeakPolarHBondContact CD1-O 3.49Å; L50-A71 HydrophobicContact CB-CB 4.35Å; L50-A71 HydrophobicContact CD2-CB 3.95Å; L50-V84 HydrophobicContact CD2-CB 4.26Å; L50-V84 HydrophobicContact CD2-CG1 3.93Å; L50-V84 WeakPolarHBondContact CD2-O 3.44Å
51V92.4Very high87.9Confident95 Ų9574.4 Ų74.458%0.57641%0.407SS*.Hα-helixtrans-65-50.3179178.70000110.6H49 T54 K55 Y63H49-V51 VanDerWaalsContact C-N 3.31Å; H49-V51 PolarHBondContact O-N 3.36Å; V51-T54 PolarHBondContact O-N 2.83Å; V51-T54 PolarHBondContact O-OG1 2.91Å; V51-T54 VanDerWaalsContact O-OG1 3.08Å; V51-K55 VanDerWaalsContact O-CB 3.32Å; V51-K55 WeakPolarHBondContact O-CB 3.37Å; V51-K55 PolarHBondContact O-N 3.27Å; V51-Y63 HydrophobicContact CG2-CD1 4.24Å; V51-Y63 HydrophobicContact CG2-CE1 4.12Å
52D90.8Very high88.5Confident86 Ų8672.5 Ų72.546%0.4640%0.397SS..Hα-helixtrans-67-42.3179.3-61.7-42.2000111.3H49 T54 K55 N56H49-D52 HydrophobicContact CB-CB 4.35Å; H49-D52 PolarHBondContact O-N 2.92Å; D52-T54 VanDerWaalsContact C-N 3.35Å; D52-T54 PolarHBondContact O-N 2.74Å; D52-K55 PolarHBondContact O-N 2.97Å; D52-N56 WeakPolarHBondContact O-CB 3.49Å; D52-N56 VanDerWaalsContact O-CG 3.29Å; D52-N56 PolarHBondContact O-N 3.17Å
53F88.4Confident89.1Confident11 Ų1173.5 Ų73.55%0.04840%0.398CS..Hα-helixtrans-54.1-52174.3166.1-114000111.4V48 H49 N56 N57 A61 A71 Y73 V84 F124V48-F53 HydrophobicContact CG1-CB 4.3Å; H49-F53 WeakPolarHBondContact O-CB 3.47Å; H49-F53 PolarHBondContact O-N 3.22Å; F53-N56 PolarHBondContact O-N 2.94Å; F53-N57 VanDerWaalsContact CD2-ND2 3.29Å; F53-N57 WeakPolarHBondContact CD2-ND2 3.2Å; F53-N57 HydrophobicContact CE2-CB 4.32Å; F53-N57 VanDerWaalsContact CE2-ND2 3.32Å; F53-N57 WeakPolarHBondContact CE2-ND2 3.39Å; F53-N57 WeakPolarHBondContact O-CB 3.39Å; F53-N57 PolarHBondContact O-N 3.43Å; F53-N57 PolarHBondContact O-ND2 3.18Å; F53-A61 HydrophobicContact CE1-CB 4.1Å; F53-A61 HydrophobicContact CZ-CB 4.26Å; F53-A71 HydrophobicContact CD1-CB 3.99Å; F53-A71 HydrophobicContact CE1-CB 4.1Å; F53-Y73 HydrophobicContact CE2-CD2 4.36Å; F53-Y73 AromaticContact CZ-CD2 3.66Å; F53-Y73 HydrophobicContact CZ-CD2 3.66Å; F53-Y73 HydrophobicContact CZ-CE2 4.44Å; F53-Y73 HydrophobicContact CZ-CG 4.3Å; F53-V84 HydrophobicContact CE1-CG2 4.13Å; F53-V84 HydrophobicContact CZ-CG2 4.43Å; F53-F124 HydrophobicContact CB-CE1 4.03Å; F53-F124 HydrophobicContact CB-CZ 4.42Å; F53-F124 HydrophobicContact CD1-CE1 4.24Å; F53-F124 AromaticContact CD1-CZ 3.77Å; F53-F124 HydrophobicContact CD1-CZ 3.77Å; F53-F124 HydrophobicContact CD2-CD1 4.09Å; F53-F124 AromaticContact CD2-CE1 3.1Å; F53-F124 HydrophobicContact CD2-CE1 3.1Å; F53-F124 AromaticContact CD2-CE2 3.9Å; F53-F124 HydrophobicContact CD2-CE2 3.9Å; F53-F124 AromaticContact CD2-CZ 3.01Å; F53-F124 HydrophobicContact CD2-CZ 3.01Å; F53-F124 HydrophobicContact CE1-CE2 4.38Å; F53-F124 AromaticContact CE1-CZ 3.67Å; F53-F124 HydrophobicContact CE1-CZ 3.67Å; F53-F124 HydrophobicContact CE2-CD1 4.42Å; F53-F124 HydrophobicContact CE2-CD2 4.31Å; F53-F124 AromaticContact CE2-CE1 3.52Å; F53-F124 HydrophobicContact CE2-CE1 3.52Å; F53-F124 AromaticContact CE2-CE2 3.35Å; F53-F124 HydrophobicContact CE2-CE2 3.35Å; F53-F124 AromaticContact CE2-CZ 2.9Å; F53-F124 HydrophobicContact CE2-CZ 2.9Å; F53-F124 AromaticContact CG-CE1 3.51Å; F53-F124 HydrophobicContact CG-CE1 3.51Å; F53-F124 AromaticContact CG-CZ 3.45Å; F53-F124 HydrophobicContact CG-CZ 3.45Å; F53-F124 VanDerWaalsContact CG-CZ 3.45Å; F53-F124 HydrophobicContact CZ-CE1 4.21Å; F53-F124 AromaticContact CZ-CE2 3.61Å; F53-F124 HydrophobicContact CZ-CE2 3.61Å; F53-F124 AromaticContact CZ-CZ 3.24Å; F53-F124 HydrophobicContact CZ-CZ 3.24Å
54T90.5Very high89.6Confident6 Ų675 Ų754%0.03740%0.395CS..Hα-helixtrans-69.5-39.2-177.153.80000112.4L50 V51 D52 N56 N57 R58 A61 A71L50-T54 WeakPolarHBondContact O-CB 3.41Å; L50-T54 VanDerWaalsContact O-CG2 3.31Å; L50-T54 WeakPolarHBondContact O-CG2 3.46Å; L50-T54 PolarHBondContact O-N 2.98Å; L50-T54 PolarHBondContact O-OG1 3.11Å; V51-T54 PolarHBondContact O-N 2.83Å; V51-T54 PolarHBondContact O-OG1 2.91Å; V51-T54 VanDerWaalsContact O-OG1 3.08Å; D52-T54 VanDerWaalsContact C-N 3.35Å; D52-T54 PolarHBondContact O-N 2.74Å; T54-N56 VanDerWaalsContact C-N 3.3Å; T54-N56 PolarHBondContact O-N 2.82Å; T54-N57 CarbonylContact O-C 3.55Å; T54-N57 PolarHBondContact O-N 2.85Å; T54-N57 VanDerWaalsContact O-N 3.14Å; T54-R58 WeakPolarHBondContact O-CG 3.34Å; T54-R58 PolarHBondContact O-N 2.89Å; T54-R58 VanDerWaalsContact O-N 3.09Å; T54-A61 HydrophobicContact CG2-CB 3.99Å; T54-A71 HydrophobicContact CG2-CB 3.63Å
55K91.1Very high90Very high144 Ų14476.8 Ų76.863%0.62641%0.41SS*.Hα-helixtrans-56.6-43.5175.6-173.1-179.6178.5-174.70111.9V51 D52 N57V51-K55 VanDerWaalsContact O-CB 3.32Å; V51-K55 WeakPolarHBondContact O-CB 3.37Å; V51-K55 PolarHBondContact O-N 3.27Å; D52-K55 PolarHBondContact O-N 2.97Å; K55-N57 VanDerWaalsContact C-N 3.29Å; K55-N57 PolarHBondContact O-N 2.9Å
56N89Confident90.5Very high129 Ų12979.2 Ų79.269%0.6941%0.41SS*.Hα-helixtrans-75.3-16.6-179-67.5-9.1000113.8D52 F53 T54D52-N56 WeakPolarHBondContact O-CB 3.49Å; D52-N56 VanDerWaalsContact O-CG 3.29Å; D52-N56 PolarHBondContact O-N 3.17Å; F53-N56 PolarHBondContact O-N 2.94Å; T54-N56 VanDerWaalsContact C-N 3.3Å; T54-N56 PolarHBondContact O-N 2.82Å
57N86Confident90.9Very high25 Ų2582 Ų8213%0.13443%0.428CS..THydrogen-bonded Turntrans-11814.3-173.8-71.2-80.4000113.5F53 T54 K55 I60 A61 Y73 P123F53-N57 VanDerWaalsContact CD2-ND2 3.29Å; F53-N57 WeakPolarHBondContact CD2-ND2 3.2Å; F53-N57 HydrophobicContact CE2-CB 4.32Å; F53-N57 VanDerWaalsContact CE2-ND2 3.32Å; F53-N57 WeakPolarHBondContact CE2-ND2 3.39Å; F53-N57 WeakPolarHBondContact O-CB 3.39Å; F53-N57 PolarHBondContact O-N 3.43Å; F53-N57 PolarHBondContact O-ND2 3.18Å; T54-N57 CarbonylContact O-C 3.55Å; T54-N57 PolarHBondContact O-N 2.85Å; T54-N57 VanDerWaalsContact O-N 3.14Å; K55-N57 VanDerWaalsContact C-N 3.29Å; K55-N57 PolarHBondContact O-N 2.9Å; N57-I60 WeakPolarHBondContact O-CA 3.35Å; N57-I60 WeakPolarHBondContact O-CB 3.46Å; N57-I60 PolarHBondContact O-N 3.01Å; N57-A61 HydrophobicContact CB-CB 3.54Å; N57-A61 PolarHBondContact O-N 2.8Å; N57-Y73 HydrophobicContact CB-CD2 4.41Å; N57-Y73 HydrophobicContact CB-CE2 4.06Å; N57-P123 WeakPolarHBondContact OD1-CG 3.34Å
58R87.6Confident91.1Very high166 Ų16681.9 Ų81.963%0.62642%0.415SS*.THydrogen-bonded Turntrans-66.2144.6172.9-82.1-167.2178.4137.2-1.1110.6T54T54-R58 WeakPolarHBondContact O-CG 3.34Å; T54-R58 PolarHBondContact O-N 2.89Å; T54-R58 VanDerWaalsContact O-N 3.09Å
59P88Confident91.3Very high129 Ų12985 Ų8584%0.83844%0.436SS*.THydrogen-bonded Turncis-91.210.22.736.5-36.2000114.2
60I88.3Confident91.4Very high80 Ų8078 Ų7841%0.4140%0.403SS..THydrogen-bonded Turntrans-78-33.8-173.3-53.9176.1000110.9N57 Y73 R74N57-I60 WeakPolarHBondContact O-CA 3.35Å; N57-I60 WeakPolarHBondContact O-CB 3.46Å; N57-I60 PolarHBondContact O-N 3.01Å; I60-Y73 HydrophobicContact CB-CE2 4.13Å; I60-Y73 HydrophobicContact CG2-CD1 4.2Å; I60-Y73 HydrophobicContact CG2-CD2 4.08Å; I60-Y73 HydrophobicContact CG2-CE1 3.82Å; I60-Y73 HydrophobicContact CG2-CE2 3.69Å; I60-Y73 HydrophobicContact CG2-CG 4.31Å; I60-R74 WeakPolarHBondContact CG2-O 3.28Å; I60-R74 PolarHBondContact O-N 3.12Å; I60-R74 VanDerWaalsContact O-N 3.11Å
61A90.9Very high91.5Very high3 Ų377.7 Ų77.73%0.02540%0.402CS..EExtended strand (participates in β ladder)trans-100.1144.2175.600000112.6F53 T54 N57 T72 Y73F53-A61 HydrophobicContact CE1-CB 4.1Å; F53-A61 HydrophobicContact CZ-CB 4.26Å; T54-A61 HydrophobicContact CG2-CB 3.99Å; N57-A61 HydrophobicContact CB-CB 3.54Å; N57-A61 PolarHBondContact O-N 2.8Å; A61-T72 CarbonylContact C-O 3.55Å; A61-T72 VanDerWaalsContact CA-O 3.29Å; A61-T72 WeakPolarHBondContact CA-O 3.37Å; A61-Y73 HydrophobicContact CB-CD2 3.9Å
62S93.9Very high91.6Very high44 Ų4474.2 Ų74.231%0.30838%0.381SS..EExtended strand (participates in β ladder)trans-143.6139.9177.151.10000110.5A71 T72S62-A71 CarbonylContact O-C 3.56Å; S62-A71 WeakPolarHBondContact O-CA 3.26Å; S62-T72 PolarHBondContact N-O 2.82Å; S62-T72 PolarHBondContact O-N 3.31Å; S62-T72 PolarHBondContact OG-O 3.33Å
63Y95.3Very high91.6Very high49 Ų4971.6 Ų71.619%0.19237%0.365CS..  trans-144118.4178.3176.8-124.6000109.3L50 V51 P65 A71L50-Y63 HydrophobicContact CB-CD1 3.9Å; L50-Y63 HydrophobicContact CB-CD2 4.32Å; L50-Y63 HydrophobicContact CB-CE1 3.82Å; L50-Y63 HydrophobicContact CB-CE2 4.24Å; L50-Y63 HydrophobicContact CB-CG 4.15Å; L50-Y63 HydrophobicContact CD1-CD2 4.07Å; L50-Y63 HydrophobicContact CD1-CE1 4.33Å; L50-Y63 HydrophobicContact CD1-CE2 3.48Å; L50-Y63 VanDerWaalsContact CD1-CE2 3.48Å; V51-Y63 HydrophobicContact CG2-CD1 4.24Å; V51-Y63 HydrophobicContact CG2-CE1 4.12Å; Y63-P65 HydrophobicContact CE1-CB 4.06Å; Y63-P65 HydrophobicContact CE1-CG 4.09Å; Y63-P65 HydrophobicContact CE2-CB 4.26Å; Y63-A71 HydrophobicContact CD2-CB 4.13Å; Y63-A71 HydrophobicContact CG-CB 4.3Å
64E93.7Very high91.5Very high113 Ų11377.9 Ų77.953%0.52839%0.388SS..  trans-126.986.7179.9-64.4-61.1158.800106.9E66 L67 H68E64-E66 PolarHBondContact O-N 3.35Å; E64-E66 VanDerWaalsContact O-N 3.17Å; E64-L67 HydrophobicContact CB-CB 4.11Å; E64-L67 HydrophobicContact CB-CD1 4Å; E64-L67 HydrophobicContact CB-CG 4.21Å; E64-L67 HydrophobicContact CG-CD1 4.39Å; E64-L67 PolarHBondContact O-N 3.46Å; E64-H68 PolarHBondContact O-N 2.89Å
65P92.7Very high91.2Very high70 Ų7078.7 Ų78.746%0.45539%0.392SS..THydrogen-bonded Turntrans-58.7-30.5-171.519.7-31.1000113.3Y63 L67Y63-P65 HydrophobicContact CE1-CB 4.06Å; Y63-P65 HydrophobicContact CE1-CG 4.09Å; Y63-P65 HydrophobicContact CE2-CB 4.26Å; P65-L67 PolarHBondContact O-N 2.85Å
66E95.1Very high90.7Very high178 Ų17881 Ų8183%0.83240%0.402SS*.THydrogen-bonded Turntrans-66.8-23.2176.3-56.8-55.9142.800112.9E64E64-E66 PolarHBondContact O-N 3.35Å; E64-E66 VanDerWaalsContact O-N 3.17Å
67L93.8Very high90Very high147 Ų14780.9 Ų80.977%0.7740%0.401SS*.THydrogen-bonded Turntrans-103.3-38.9-179-63.7178.7000112.5E64 P65E64-L67 HydrophobicContact CB-CB 4.11Å; E64-L67 HydrophobicContact CB-CD1 4Å; E64-L67 HydrophobicContact CB-CG 4.21Å; E64-L67 HydrophobicContact CG-CD1 4.39Å; E64-L67 PolarHBondContact O-N 3.46Å; P65-L67 PolarHBondContact O-N 2.85Å
68H92.2Very high89.3Confident72 Ų7282.6 Ų82.633%0.33341%0.41SS..  trans-155.8136.7-176-165.7-94.4000112.2E64 A70 Q83E64-H68 PolarHBondContact O-N 2.89Å; H68-A70 WeakPolarHBondContact ND1-CB 3.47Å; H68-A70 PolarHBondContact ND1-N 2.92Å; H68-A70 VanDerWaalsContact ND1-N 3.18Å; H68-A70 PolarHBondContact ND1-O 3.45Å; H68-A70 PolarHBondContact O-N 3.3Å; H68-Q83 PolarHBondContact CE1-NE2 2.76Å; H68-Q83 VanDerWaalsContact CE1-NE2 3.33Å
69P93.3Very high88.9Confident82 Ų8280.9 Ų80.953%0.53241%0.407SS..SBendtrans-73.9-9.8-175.229.6-37.3000114.8L50 F85L50-P69 WeakPolarHBondContact CD1-O 3.49Å; P69-F85 HydrophobicContact CG-CE1 4.38Å
70A94.9Very high88.7Confident2 Ų275.1 Ų75.12%0.01737%0.371CS..EExtended strand (participates in β ladder)trans-107.7140.4179.200000112.2H68 Q83 V84 F85H68-A70 WeakPolarHBondContact ND1-CB 3.47Å; H68-A70 PolarHBondContact ND1-N 2.92Å; H68-A70 VanDerWaalsContact ND1-N 3.18Å; H68-A70 PolarHBondContact ND1-O 3.45Å; H68-A70 PolarHBondContact O-N 3.3Å; A70-Q83 HydrophobicContact CB-CB 4.05Å; A70-V84 CarbonylContact C-O 3.59Å; A70-V84 WeakPolarHBondContact CA-O 3.48Å; A70-V84 WeakPolarHBondContact CB-O 3.44Å; A70-F85 HydrophobicContact CB-CD1 3.88Å; A70-F85 HydrophobicContact CB-CD2 4.13Å; A70-F85 HydrophobicContact CB-CE1 3.76Å; A70-F85 HydrophobicContact CB-CE2 4Å; A70-F85 HydrophobicContact CB-CG 4.08Å; A70-F85 HydrophobicContact CB-CZ 3.81Å
71A93.8Very high88.7Confident0 Ų073.5 Ų73.50%037%0.365CS..EExtended strand (participates in β ladder)trans-71.5136.9166.800000110.2L50 F53 T54 S62 Y63 Q83 V84L50-A71 HydrophobicContact CB-CB 4.35Å; L50-A71 HydrophobicContact CD2-CB 3.95Å; F53-A71 HydrophobicContact CD1-CB 3.99Å; F53-A71 HydrophobicContact CE1-CB 4.1Å; T54-A71 HydrophobicContact CG2-CB 3.63Å; S62-A71 CarbonylContact O-C 3.56Å; S62-A71 WeakPolarHBondContact O-CA 3.26Å; Y63-A71 HydrophobicContact CD2-CB 4.13Å; Y63-A71 HydrophobicContact CG-CB 4.3Å; A71-Q83 CarbonylContact O-C 3.56Å; A71-Q83 WeakPolarHBondContact O-CA 3.22Å; A71-V84 HydrophobicContact CB-CB 4.4Å; A71-V84 PolarHBondContact N-O 2.86Å; A71-V84 PolarHBondContact O-N 3.44Å
72T93.4Very high88.6Confident23 Ų2373.5 Ų73.514%0.14136%0.364CS..EExtended strand (participates in β ladder)trans-103.9124.6-180-60.80000110.1A61 S62 R74 T81 V82A61-T72 CarbonylContact C-O 3.55Å; A61-T72 VanDerWaalsContact CA-O 3.29Å; A61-T72 WeakPolarHBondContact CA-O 3.37Å; S62-T72 PolarHBondContact N-O 2.82Å; S62-T72 PolarHBondContact O-N 3.31Å; S62-T72 PolarHBondContact OG-O 3.33Å; T72-R74 HydrophobicContact CG2-CG 4.17Å; T72-T81 HydrophobicContact CG2-CG2 3.56Å; T72-V82 CarbonylContact C-O 3.58Å; T72-V82 WeakPolarHBondContact CA-O 3.41Å
73Y90.8Very high88.5Confident31 Ų3173.9 Ų73.912%0.12236%0.361CS..EExtended strand (participates in β ladder)trans-116.9123174.2-171.9-85.3000110F53 N57 I60 A61 I75 V82 L122F53-Y73 HydrophobicContact CE2-CD2 4.36Å; F53-Y73 AromaticContact CZ-CD2 3.66Å; F53-Y73 HydrophobicContact CZ-CD2 3.66Å; F53-Y73 HydrophobicContact CZ-CE2 4.44Å; F53-Y73 HydrophobicContact CZ-CG 4.3Å; N57-Y73 HydrophobicContact CB-CD2 4.41Å; N57-Y73 HydrophobicContact CB-CE2 4.06Å; I60-Y73 HydrophobicContact CB-CE2 4.13Å; I60-Y73 HydrophobicContact CG2-CD1 4.2Å; I60-Y73 HydrophobicContact CG2-CD2 4.08Å; I60-Y73 HydrophobicContact CG2-CE1 3.82Å; I60-Y73 HydrophobicContact CG2-CE2 3.69Å; I60-Y73 HydrophobicContact CG2-CG 4.31Å; A61-Y73 HydrophobicContact CB-CD2 3.9Å; Y73-I75 HydrophobicContact CD1-CD1 4.08Å; Y73-I75 HydrophobicContact CD1-CG1 3.77Å; Y73-I75 HydrophobicContact CE1-CD1 3.97Å; Y73-I75 HydrophobicContact CE1-CG1 3.6Å; Y73-V82 PolarHBondContact N-O 3.08Å; Y73-V82 PolarHBondContact O-N 3.24Å; Y73-L122 HydrophobicContact CD1-CD2 4.14Å; Y73-L122 HydrophobicContact CD2-CD2 4.45Å; Y73-L122 HydrophobicContact CE1-CD2 4.03Å; Y73-L122 HydrophobicContact CE2-CD2 4.37Å; Y73-L122 HydrophobicContact CG-CD2 4.36Å
74R88Confident88.4Confident142 Ų14271.5 Ų71.554%0.53635%0.352SS..EExtended strand (participates in β ladder)trans-108.6123-172.6-72.4-173.7174.898.4-2.2112.9I60 T72 T81I60-R74 WeakPolarHBondContact CG2-O 3.28Å; I60-R74 PolarHBondContact O-N 3.12Å; I60-R74 VanDerWaalsContact O-N 3.11Å; T72-R74 HydrophobicContact CG2-CG 4.17Å; R74-T81 HydrophobicContact CG-CG2 4.49Å
75I83.4Confident88.4Confident24 Ų2468.7 Ų68.712%0.12334%0.338CS..EExtended strand (participates in β ladder)trans-105.797.6-179.5-65.5171.4000108.7Y73 N77 L78 K79 A80 V82 L118Y73-I75 HydrophobicContact CD1-CD1 4.08Å; Y73-I75 HydrophobicContact CD1-CG1 3.77Å; Y73-I75 HydrophobicContact CE1-CD1 3.97Å; Y73-I75 HydrophobicContact CE1-CG1 3.6Å; I75-N77 WeakPolarHBondContact CG2-OD1 3.39Å; I75-L78 HydrophobicContact CG2-CB 3.91Å; I75-L78 HydrophobicContact CG2-CD1 4.03Å; I75-L78 HydrophobicContact CG2-CG 3.98Å; I75-L78 PolarHBondContact O-N 2.77Å; I75-K79 WeakPolarHBondContact O-CA 3.17Å; I75-K79 PolarHBondContact O-N 2.93Å; I75-A80 HydrophobicContact CB-CB 4.43Å; I75-A80 PolarHBondContact N-O 2.85Å; I75-A80 PolarHBondContact O-N 2.81Å; I75-A80 VanDerWaalsContact O-N 3.08Å; I75-V82 HydrophobicContact CD1-CG2 4.23Å; I75-L118 HydrophobicContact CD1-CD1 3.5Å; I75-L118 HydrophobicContact CD1-CD2 3.29Å; I75-L118 HydrophobicContact CD1-CG 3.47Å; I75-L118 VanDerWaalsContact CD1-CG 3.47Å
76K81.3Confident88.4Confident193 Ų19368.5 Ų68.584%0.83934%0.338SS*.THydrogen-bonded Turntrans-64.6-41.9-170-68.2-177.2179.1177.70113.2L78 K79K76-L78 VanDerWaalsContact C-N 3.32Å; K76-L78 PolarHBondContact O-N 3.28Å; K76-K79 PolarHBondContact O-N 3.1Å
77N73.7Confident88.2Confident125 Ų12564.3 Ų64.367%0.66833%0.325SS*.THydrogen-bonded Turntrans-62.8-36.5-179.159.7-25.9000112.6I75I75-N77 WeakPolarHBondContact CG2-OD1 3.39Å
78L70.9Confident87.9Confident61 Ų6157.3 Ų57.332%0.31929%0.288SS..THydrogen-bonded Turntrans-93.4-4.6178.3-60.3179.2000113.5I75 K76 A80 L118I75-L78 HydrophobicContact CG2-CB 3.91Å; I75-L78 HydrophobicContact CG2-CD1 4.03Å; I75-L78 HydrophobicContact CG2-CG 3.98Å; I75-L78 PolarHBondContact O-N 2.77Å; K76-L78 VanDerWaalsContact C-N 3.32Å; K76-L78 PolarHBondContact O-N 3.28Å; L78-A80 HydrophobicContact CB-CB 4.04Å; L78-A80 PolarHBondContact O-N 2.81Å; L78-L118 HydrophobicContact CD1-CD1 4.17Å
79K80.5Confident87.7Confident131 Ų13155.8 Ų55.857%0.5729%0.285SS*.THydrogen-bonded Turntrans47.243.1-167.9-59-176.1-171.71750111.5I75 K76 L97I75-K79 WeakPolarHBondContact O-CA 3.17Å; I75-K79 PolarHBondContact O-N 2.93Å; K76-K79 PolarHBondContact O-N 3.1Å; K79-L97 HydrophobicContact CB-CD1 4.46Å; K79-L97 HydrophobicContact CD-CD1 4.1Å; K79-L97 HydrophobicContact CD-CD2 4.07Å; K79-L97 HydrophobicContact CD-CG 4.49Å; K79-L97 HydrophobicContact CG-CD1 4.13Å
80A83.4Confident87.5Confident8 Ų852 Ų527%0.06626%0.261CS..EExtended strand (participates in β ladder)trans-111.8149-178.200000110.8I75 L78 T93I75-A80 HydrophobicContact CB-CB 4.43Å; I75-A80 PolarHBondContact N-O 2.85Å; I75-A80 PolarHBondContact O-N 2.81Å; I75-A80 VanDerWaalsContact O-N 3.08Å; L78-A80 HydrophobicContact CB-CB 4.04Å; L78-A80 PolarHBondContact O-N 2.81Å; A80-T93 CarbonylContact C-O 3.46Å; A80-T93 WeakPolarHBondContact CA-O 3.38Å
81T87.8Confident87.2Confident46 Ų4653 Ų5328%0.28227%0.267SS..EExtended strand (participates in β ladder)trans-124.9127.8176.1-57.80000109T72 R74 V92 T93T72-T81 HydrophobicContact CG2-CG2 3.56Å; R74-T81 HydrophobicContact CG-CG2 4.49Å; T81-V92 WeakPolarHBondContact O-CA 3.43Å; T81-T93 PolarHBondContact N-O 2.92Å; T81-T93 PolarHBondContact O-N 2.85Å
82V89.6Confident86.8Confident2 Ų253.5 Ų53.51%0.01227%0.27CS..EExtended strand (participates in β ladder)trans-105.8129.2174.2-177.80000107.9T72 Y73 I75 V84 L90 T91 V92 L118T72-V82 CarbonylContact C-O 3.58Å; T72-V82 WeakPolarHBondContact CA-O 3.41Å; Y73-V82 PolarHBondContact N-O 3.08Å; Y73-V82 PolarHBondContact O-N 3.24Å; I75-V82 HydrophobicContact CD1-CG2 4.23Å; V82-V84 HydrophobicContact CG1-CG2 4.05Å; V82-L90 HydrophobicContact CG1-CD2 4.35Å; V82-T91 CarbonylContact C-O 3.59Å; V82-T91 WeakPolarHBondContact CA-O 3.44Å; V82-V92 HydrophobicContact CG1-CG2 4.28Å; V82-V92 HydrophobicContact CG2-CG1 4.06Å; V82-V92 HydrophobicContact CG2-CG2 4.11Å; V82-L118 HydrophobicContact CG2-CD2 3.67Å
83Q92.1Very high86.4Confident52 Ų5254.4 Ų54.424%0.24328%0.275CS..EExtended strand (participates in β ladder)trans-106.9124170.8-66.4-172.7-50.100108.9H68 A70 A71 F85 L90 T91H68-Q83 PolarHBondContact CE1-NE2 2.76Å; H68-Q83 VanDerWaalsContact CE1-NE2 3.33Å; A70-Q83 HydrophobicContact CB-CB 4.05Å; A71-Q83 CarbonylContact O-C 3.56Å; A71-Q83 WeakPolarHBondContact O-CA 3.22Å; Q83-F85 HydrophobicContact CB-CE2 4.33Å; Q83-L90 WeakPolarHBondContact O-CA 3.31Å; Q83-T91 PolarHBondContact N-O 3.24Å; Q83-T91 PolarHBondContact O-N 3.03Å
84V91.6Very high85.9Confident0 Ų053.1 Ų53.10%027%0.272CS..EExtended strand (participates in β ladder)trans-111.7121.6-177.8-172.50000109.6V48 L50 F53 A70 A71 V82 L90 F124V48-V84 HydrophobicContact CB-CG1 4.22Å; V48-V84 HydrophobicContact CG1-CG1 4.04Å; V48-V84 HydrophobicContact CG2-CG1 4.17Å; L50-V84 HydrophobicContact CD2-CB 4.26Å; L50-V84 HydrophobicContact CD2-CG1 3.93Å; L50-V84 WeakPolarHBondContact CD2-O 3.44Å; F53-V84 HydrophobicContact CE1-CG2 4.13Å; F53-V84 HydrophobicContact CZ-CG2 4.43Å; A70-V84 CarbonylContact C-O 3.59Å; A70-V84 WeakPolarHBondContact CA-O 3.48Å; A70-V84 WeakPolarHBondContact CB-O 3.44Å; A71-V84 HydrophobicContact CB-CB 4.4Å; A71-V84 PolarHBondContact N-O 2.86Å; A71-V84 PolarHBondContact O-N 3.44Å; V82-V84 HydrophobicContact CG1-CG2 4.05Å; V84-L90 HydrophobicContact CB-CD2 3.86Å; V84-L90 HydrophobicContact CG1-CD2 3.67Å; V84-L90 HydrophobicContact CG2-CD2 3.55Å; V84-F124 HydrophobicContact CG1-CZ 3.98Å; V84-F124 HydrophobicContact CG2-CE2 4.12Å; V84-F124 HydrophobicContact CG2-CZ 4.01Å
85F93.8Very high84.9Confident54 Ų5451 Ų5124%0.23727%0.269CS..EExtended strand (participates in β ladder)trans-96.5149.3176.4-64.8-96.5000110P69 A70 Q83 T87 G88 S89P69-F85 HydrophobicContact CG-CE1 4.38Å; A70-F85 HydrophobicContact CB-CD1 3.88Å; A70-F85 HydrophobicContact CB-CD2 4.13Å; A70-F85 HydrophobicContact CB-CE1 3.76Å; A70-F85 HydrophobicContact CB-CE2 4Å; A70-F85 HydrophobicContact CB-CG 4.08Å; A70-F85 HydrophobicContact CB-CZ 3.81Å; Q83-F85 HydrophobicContact CB-CE2 4.33Å; F85-T87 PolarHBondContact O-N 2.88Å; F85-T87 VanDerWaalsContact O-N 3.11Å; F85-G88 PolarHBondContact O-N 2.87Å; F85-S89 WeakPolarHBondContact CB-O 3.31Å; F85-S89 WeakPolarHBondContact CD2-O 3.47Å; F85-S89 PolarHBondContact N-O 3.23Å
86S92.4Very high84.1Confident65 Ų6552.4 Ų52.446%0.45528%0.276SS..THydrogen-bonded Turntrans-59.8-23.7178.554.10000112.9A47 V48 G88A47-S86 CarbonylContact C-O 3.52Å; A47-S86 VanDerWaalsContact CA-O 3.26Å; A47-S86 WeakPolarHBondContact CA-O 3.49Å; A47-S86 VanDerWaalsContact CB-O 3.28Å; A47-S86 WeakPolarHBondContact CB-O 3.47Å; V48-S86 PolarHBondContact N-O 3.17Å; V48-S86 WeakPolarHBondContact O-CA 3.29Å; S86-G88 PolarHBondContact O-N 2.99Å
87T92.4Very high82.8Confident91 Ų9146.2 Ų46.256%0.55825%0.252SS*.THydrogen-bonded Turntrans-70-8174.958.80000114.3F85 S89F85-T87 PolarHBondContact O-N 2.88Å; F85-T87 VanDerWaalsContact O-N 3.11Å; T87-S89 VanDerWaalsContact C-N 3.31Å; T87-S89 PolarHBondContact OG1-N 3.48Å; T87-S89 PolarHBondContact OG1-OG 2.81Å
88G85.8Confident81.6Confident0 Ų044.9 Ų44.90%025%0.252CS..SBendtrans87-2.4-170.800000113.9M44 F46 F85 S86M44-G88 WeakPolarHBondContact CB-O 3.08Å; M44-G88 PolarHBondContact N-O 3.48Å; F46-G88 WeakPolarHBondContact O-CA 3.18Å; F85-G88 PolarHBondContact O-N 2.87Å; S86-G88 PolarHBondContact O-N 2.99Å
89S89.4Confident80.1Confident39 Ų3949.1 Ų49.127%0.27327%0.27SS..EExtended strand (participates in β ladder)trans-70.6143.3171.4-56.90000111F85 T87F85-S89 WeakPolarHBondContact CB-O 3.31Å; F85-S89 WeakPolarHBondContact CD2-O 3.47Å; F85-S89 PolarHBondContact N-O 3.23Å; T87-S89 VanDerWaalsContact C-N 3.31Å; T87-S89 PolarHBondContact OG1-N 3.48Å; T87-S89 PolarHBondContact OG1-OG 2.81Å
90L88.8Confident77.9Confident4 Ų450.8 Ų50.82%0.02129%0.286CS..EExtended strand (participates in β ladder)trans-132.8136.1-175.5-67.3169.2000109.5V41 C42 M44 V82 Q83 V84 F119V41-L90 WeakPolarHBondContact CA-O 3.42Å; C42-L90 PolarHBondContact N-O 2.83Å; C42-L90 PolarHBondContact O-N 3.32Å; C42-L90 VanDerWaalsContact O-O 3.13Å; C42-L90 VanDerWaalsContact SG-CB 3.58Å; M44-L90 HydrophobicContact CG-CD1 3.64Å; M44-L90 HydrophobicContact CG-CG 4.38Å; M44-L90 HydrophobicContact SD-CD1 3.96Å; V82-L90 HydrophobicContact CG1-CD2 4.35Å; Q83-L90 WeakPolarHBondContact O-CA 3.31Å; V84-L90 HydrophobicContact CB-CD2 3.86Å; V84-L90 HydrophobicContact CG1-CD2 3.67Å; V84-L90 HydrophobicContact CG2-CD2 3.55Å; L90-F119 HydrophobicContact CD1-CE1 3.32Å; L90-F119 HydrophobicContact CD1-CZ 3.46Å; L90-F119 VanDerWaalsContact CD1-CZ 3.46Å
91T88.2Confident75.8Confident23 Ų2355.3 Ų55.314%0.14131%0.312CS..EExtended strand (participates in β ladder)trans-126.2125.8173.1-61.40000109.3L39 A40 V41 V82 Q83L39-T91 HydrophobicContact CD1-CG2 3.32Å; L39-T91 HydrophobicContact CG-CG2 4.2Å; A40-T91 CarbonylContact O-C 3.55Å; A40-T91 WeakPolarHBondContact O-CA 3.36Å; V41-T91 HydrophobicContact CG2-CG2 4.26Å; V82-T91 CarbonylContact C-O 3.59Å; V82-T91 WeakPolarHBondContact CA-O 3.44Å; Q83-T91 PolarHBondContact N-O 3.24Å; Q83-T91 PolarHBondContact O-N 3.03Å
92V85.6Confident73.2Confident9 Ų960 Ų606%0.05534%0.335CS..EExtended strand (participates in β ladder)trans-114.5123.2178.1-168.60000109L39 A40 T81 V82 L115L39-V92 CarbonylContact C-O 3.6Å; L39-V92 WeakPolarHBondContact CA-O 3.44Å; A40-V92 HydrophobicContact CB-CB 4.4Å; A40-V92 PolarHBondContact N-O 3.23Å; A40-V92 PolarHBondContact O-N 2.77Å; T81-V92 WeakPolarHBondContact O-CA 3.43Å; V82-V92 HydrophobicContact CG1-CG2 4.28Å; V82-V92 HydrophobicContact CG2-CG1 4.06Å; V82-V92 HydrophobicContact CG2-CG2 4.11Å; V92-L115 HydrophobicContact CB-CD1 3.92Å; V92-L115 HydrophobicContact CB-CD2 4.35Å; V92-L115 HydrophobicContact CB-CG 4.41Å; V92-L115 HydrophobicContact CG1-CD1 3.67Å; V92-L115 HydrophobicContact CG1-CG 4.47Å; V92-L115 HydrophobicContact CG2-CD1 4.19Å; V92-L115 HydrophobicContact CG2-CD2 4.01Å; V92-L115 HydrophobicContact CG2-CG 4.14Å
93T85.8Confident70.7Confident43 Ų4370.2 Ų70.226%0.26438%0.38SS..EExtended strand (participates in β ladder)trans-114.2124.2173-53.30000108.8N37 V38 L39 A80 T81N37-T93 WeakPolarHBondContact ND2-CG2 3.47Å; N37-T93 WeakPolarHBondContact OD1-CG2 3.44Å; V38-T93 WeakPolarHBondContact O-CA 3.17Å; L39-T93 WeakPolarHBondContact CD1-OG1 3.34Å; A80-T93 CarbonylContact C-O 3.46Å; A80-T93 WeakPolarHBondContact CA-O 3.38Å; T81-T93 PolarHBondContact N-O 2.92Å; T81-T93 PolarHBondContact O-N 2.85Å
94G80.1Confident68Low4 Ų473.2 Ų73.24%0.04140%0.402CS..EExtended strand (participates in β ladder)trans-140.9138.5-178.900000112N37 V38N37-G94 PolarHBondContact OD1-O 3.33Å; V38-G94 PolarHBondContact N-O 2.95Å; V38-G94 PolarHBondContact O-N 3.37Å; V38-G94 VanDerWaalsContact O-N 3.07Å
95M67.4Low65.5Low98 Ų9881 Ų8148%0.48344%0.438SS..EExtended strand (participates in β ladder)trans-73.2137.1167.9-74-179.352.800109.9L97M95-L97 PolarHBondContact O-N 2.82Å
96L64.8Low63.1Low52 Ų5282 Ų8227%0.27245%0.45SS..  trans-73.996165.7-168.573.1000107.9S98 M111L96-S98 PolarHBondContact O-N 3.29Å; L96-S98 VanDerWaalsContact O-N 3.12Å; L96-M111 HydrophobicContact CD1-CE 4.41Å
97L54Low61Low64 Ų6480.8 Ų80.834%0.33544%0.441SS..  trans-71.6103.9169.8-74168.1000107.9K79 M95 Q99K79-L97 HydrophobicContact CB-CD1 4.46Å; K79-L97 HydrophobicContact CD-CD1 4.1Å; K79-L97 HydrophobicContact CD-CD2 4.07Å; K79-L97 HydrophobicContact CD-CG 4.49Å; K79-L97 HydrophobicContact CG-CD1 4.13Å; M95-L97 PolarHBondContact O-N 2.82Å; L97-Q99 PolarHBondContact O-N 3.33Å
98S48.2Very low58.9Low96 Ų9678.6 Ų78.667%0.67143%0.429SS*.  trans-6688.2162179.10000107.4L96L96-S98 PolarHBondContact O-N 3.29Å; L96-S98 VanDerWaalsContact O-N 3.12Å
99Q40.5Very low56.8Low150 Ų15081.5 Ų81.570%0.70145%0.45SS*.  trans-74126.8163.9-73-165.4-8.300107.8L97 V101L97-Q99 PolarHBondContact O-N 3.33Å; Q99-V101 HydrophobicContact CB-CG2 4.48Å; Q99-V101 PolarHBondContact O-N 2.96Å
100N34.6Very low54.6Low167 Ų16786 Ų8689%0.89347%0.465SS*.  trans-67.578170.2-94.2-49.4000110
101V38.5Very low52.9Low102 Ų10287.5 Ų87.562%0.61847%0.472SS*.  trans-131.1106.5166.6-171.10000106.9Q99Q99-V101 HydrophobicContact CB-CG2 4.48Å; Q99-V101 PolarHBondContact O-N 2.96Å
102N33.9Very low51Low144 Ų14491.8 Ų91.877%0.7749%0.494SS*.SBendtrans27.6100.8159.9-62-25.1000116.7T104N102-T104 PolarHBondContact O-N 3.03Å; N102-T104 PolarHBondContact O-OG1 3.08Å
103K36.2Very low49.2Very low218 Ų21896.5 Ų96.595%0.94852%0.518SS*.SBendtrans1270.4155.6-69.5-179.1178.8167.40116.2
104T36.7Very low47.4Very low114 Ų11496.6 Ų96.670%0.69952%0.52SS*.  trans-136.3113.5150.617.30000105.1N102N102-T104 PolarHBondContact O-N 3.03Å; N102-T104 PolarHBondContact O-OG1 3.08Å
105H39.3Very low46.1Very low164 Ų16497.3 Ų97.376%0.75952%0.522SS*.  trans-33.9122.3-176.1-66.2-93.2000111.9S107H105-S107 PolarHBondContact O-N 2.88Å
106P43.6Very low45.2Very low75 Ų7595.2 Ų95.249%0.48752%0.521SS..  trans-75.470.7167.732.8-30.4000106.4
107S46.8Very low44.4Very low40 Ų4095.2 Ų95.228%0.2853%0.528SS..  trans-61.5143.6173.148.10000107.9H105 S109 F110H105-S107 PolarHBondContact O-N 2.88Å; S107-S109 PolarHBondContact O-N 2.84Å; S107-F110 PolarHBondContact O-N 3.11Å
108S47.9Very low44.4Very low44 Ų4492.7 Ų92.731%0.30852%0.515SS..Hα-helixtrans-45.8-23.116941.60000113.4F110 M111 L112S108-F110 VanDerWaalsContact C-N 3.35Å; S108-F110 PolarHBondContact O-N 3.36Å; S108-M111 PolarHBondContact O-N 2.95Å; S108-L112 PolarHBondContact O-N 3.39Å
109S43Very low44.7Very low61 Ų6190.3 Ų90.343%0.42749%0.493SS..Hα-helixtrans-58.1-35.9171-45.10000114.2S107 M111 L112 I113S107-S109 PolarHBondContact O-N 2.84Å; S109-M111 VanDerWaalsContact C-N 3.34Å; S109-M111 PolarHBondContact O-N 3.41Å; S109-L112 PolarHBondContact O-N 2.93Å; S109-I113 WeakPolarHBondContact O-CD1 3.47Å; S109-I113 VanDerWaalsContact O-CG1 3.22Å; S109-I113 WeakPolarHBondContact O-CG1 3.47Å; S109-I113 PolarHBondContact O-N 3.31Å
110F44Very low45.3Very low133 Ų13389.7 Ų89.758%0.58349%0.494SS*.Hα-helixtrans-66.7-34.4178.5-99-86.5000112.6S107 S108 S114S107-F110 PolarHBondContact O-N 3.11Å; S108-F110 VanDerWaalsContact C-N 3.35Å; S108-F110 PolarHBondContact O-N 3.36Å; F110-S114 WeakPolarHBondContact O-CB 3.32Å; F110-S114 PolarHBondContact O-N 3.14Å
111M51.5Low46Very low36 Ų3685.9 Ų85.918%0.17748%0.48CS..Hα-helixtrans-74-34.2175.7-166.9-179.2-8600111.5V38 L96 S108 S109 S114 L115V38-M111 HydrophobicContact CB-CE 4.3Å; V38-M111 HydrophobicContact CB-SD 3.54Å; V38-M111 VanDerWaalsContact CB-SD 3.54Å; V38-M111 HydrophobicContact CG1-SD 3.88Å; V38-M111 HydrophobicContact CG2-CE 4.36Å; V38-M111 HydrophobicContact CG2-SD 3.99Å; L96-M111 HydrophobicContact CD1-CE 4.41Å; S108-M111 PolarHBondContact O-N 2.95Å; S109-M111 VanDerWaalsContact C-N 3.34Å; S109-M111 PolarHBondContact O-N 3.41Å; M111-S114 CarbonylContact O-C 3.51Å; M111-S114 PolarHBondContact O-N 3.37Å; M111-L115 WeakPolarHBondContact O-CB 3.41Å; M111-L115 PolarHBondContact O-N 3.43Å
112L48.1Very low46.9Very low114 Ų11481.4 Ų81.460%0.59745%0.453SS*.Hα-helixtrans-64.7-41171.5-80.7161.5000112.1S108 S109 S114 L115 A116S108-L112 PolarHBondContact O-N 3.39Å; S109-L112 PolarHBondContact O-N 2.93Å; L112-S114 VanDerWaalsContact C-N 3.34Å; L112-L115 WeakPolarHBondContact O-CB 3.16Å; L112-L115 PolarHBondContact O-N 2.93Å; L112-A116 PolarHBondContact O-N 2.89Å
113I48.2Very low47.9Very low108 Ų10877.9 Ų77.955%0.55444%0.438SS*.Hα-helixtrans-64.2-40.9173.4-66.8162000110.3S109 L115 A116 A117S109-I113 WeakPolarHBondContact O-CD1 3.47Å; S109-I113 VanDerWaalsContact O-CG1 3.22Å; S109-I113 WeakPolarHBondContact O-CG1 3.47Å; S109-I113 PolarHBondContact O-N 3.31Å; I113-L115 VanDerWaalsContact C-N 3.32Å; I113-L115 PolarHBondContact O-N 3.42Å; I113-A116 PolarHBondContact O-N 3.45Å; I113-A117 PolarHBondContact O-N 3.02Å
114S48.8Very low48.8Very low45 Ų4569.1 Ų69.132%0.31540%0.4SS..Hα-helixtrans-65.5-35174.2-132.30000112.2F110 M111 L112 A117 L118F110-S114 WeakPolarHBondContact O-CB 3.32Å; F110-S114 PolarHBondContact O-N 3.14Å; M111-S114 CarbonylContact O-C 3.51Å; M111-S114 PolarHBondContact O-N 3.37Å; L112-S114 VanDerWaalsContact C-N 3.34Å; S114-A117 PolarHBondContact O-N 3.26Å; S114-L118 VanDerWaalsContact O-CB 3.31Å; S114-L118 WeakPolarHBondContact O-CB 3.32Å; S114-L118 PolarHBondContact O-N 2.81Å
115L51.4Low49.1Very low18 Ų1867.8 Ų67.89%0.09439%0.392CS..Hα-helixtrans-65.3-41.5174-123.886.9000111.9A40 V92 M111 L112 I113 L118 F119A40-L115 HydrophobicContact CB-CD1 4.38Å; A40-L115 HydrophobicContact CB-CD2 3.58Å; V92-L115 HydrophobicContact CB-CD1 3.92Å; V92-L115 HydrophobicContact CB-CD2 4.35Å; V92-L115 HydrophobicContact CB-CG 4.41Å; V92-L115 HydrophobicContact CG1-CD1 3.67Å; V92-L115 HydrophobicContact CG1-CG 4.47Å; V92-L115 HydrophobicContact CG2-CD1 4.19Å; V92-L115 HydrophobicContact CG2-CD2 4.01Å; V92-L115 HydrophobicContact CG2-CG 4.14Å; M111-L115 WeakPolarHBondContact O-CB 3.41Å; M111-L115 PolarHBondContact O-N 3.43Å; L112-L115 WeakPolarHBondContact O-CB 3.16Å; L112-L115 PolarHBondContact O-N 2.93Å; I113-L115 VanDerWaalsContact C-N 3.32Å; I113-L115 PolarHBondContact O-N 3.42Å; L115-L118 WeakPolarHBondContact O-CA 3.44Å; L115-L118 WeakPolarHBondContact O-CB 3.29Å; L115-L118 PolarHBondContact O-N 3.44Å; L115-F119 WeakPolarHBondContact O-CD2 3.33Å; L115-F119 PolarHBondContact O-N 2.77Å
116A49.3Very low49.1Very low54 Ų5472 Ų7245%0.44641%0.412SS..Hα-helixtrans-63.7-45.2175.300000111.3L112 I113 L118 F119 D120L112-A116 PolarHBondContact O-N 2.89Å; I113-A116 PolarHBondContact O-N 3.45Å; A116-L118 PolarHBondContact O-N 3.04Å; A116-F119 WeakPolarHBondContact O-CB 3.12Å; A116-F119 PolarHBondContact O-N 3.29Å; A116-D120 PolarHBondContact O-N 2.68Å; A116-D120 VanDerWaalsContact O-N 3.12Å
117A48.5Very low49.4Very low52 Ų5271.9 Ų71.943%0.4341%0.408SS..Hα-helixtrans-63.9-27.5172.500000112.8I113 S114 D120 S121I113-A117 PolarHBondContact O-N 3.02Å; S114-A117 PolarHBondContact O-N 3.26Å; A117-D120 PolarHBondContact O-N 3.38Å; A117-S121 WeakPolarHBondContact O-CB 3.38Å; A117-S121 PolarHBondContact O-N 3.29Å; A117-S121 PolarHBondContact O-OG 3.09Å
118L53.9Low49.5Very low11 Ų1173.6 Ų73.66%0.05842%0.415CS..Hα-helixtrans-67.2-38.3172.2-133.9137.3000111.2I75 L78 V82 S114 L115 A116 S121 L122I75-L118 HydrophobicContact CD1-CD1 3.5Å; I75-L118 HydrophobicContact CD1-CD2 3.29Å; I75-L118 HydrophobicContact CD1-CG 3.47Å; I75-L118 VanDerWaalsContact CD1-CG 3.47Å; L78-L118 HydrophobicContact CD1-CD1 4.17Å; V82-L118 HydrophobicContact CG2-CD2 3.67Å; S114-L118 VanDerWaalsContact O-CB 3.31Å; S114-L118 WeakPolarHBondContact O-CB 3.32Å; S114-L118 PolarHBondContact O-N 2.81Å; L115-L118 WeakPolarHBondContact O-CA 3.44Å; L115-L118 WeakPolarHBondContact O-CB 3.29Å; L115-L118 PolarHBondContact O-N 3.44Å; A116-L118 PolarHBondContact O-N 3.04Å; L118-S121 WeakPolarHBondContact CA-OG 3.41Å; L118-S121 PolarHBondContact O-N 3.43Å; L118-S121 PolarHBondContact O-OG 3.04Å; L118-L122 HydrophobicContact CD2-CD1 3.81Å; L118-L122 HydrophobicContact CD2-CG 4.16Å; L118-L122 WeakPolarHBondContact O-CB 3.33Å; L118-L122 WeakPolarHBondContact O-CD1 3.38Å; L118-L122 WeakPolarHBondContact O-CG 3.41Å; L118-L122 PolarHBondContact O-N 2.91Å
119F55.2Low49.6Very low47 Ų4775.2 Ų75.221%0.20642%0.421CS..Hα-helixtrans-65-39.9172.6-85.3-75.1000112.1C42 M44 L90 L115 A116 S121 V125C42-F119 HydrophobicContact CB-CZ 4.27Å; C42-F119 WeakPolarHBondContact SG-CZ 3.42Å; M44-F119 HydrophobicContact CE-CD1 4.38Å; M44-F119 HydrophobicContact CE-CE1 4.27Å; M44-F119 HydrophobicContact SD-CD1 4.14Å; M44-F119 HydrophobicContact SD-CE1 3.51Å; M44-F119 VanDerWaalsContact SD-CE1 3.51Å; M44-F119 HydrophobicContact SD-CZ 4.41Å; L90-F119 HydrophobicContact CD1-CE1 3.32Å; L90-F119 HydrophobicContact CD1-CZ 3.46Å; L90-F119 VanDerWaalsContact CD1-CZ 3.46Å; L115-F119 WeakPolarHBondContact O-CD2 3.33Å; L115-F119 PolarHBondContact O-N 2.77Å; A116-F119 WeakPolarHBondContact O-CB 3.12Å; A116-F119 PolarHBondContact O-N 3.29Å; F119-S121 VanDerWaalsContact C-N 3.29Å; F119-S121 PolarHBondContact O-N 3.12Å; F119-V125 WeakPolarHBondContact O-CG2 2.89Å
120D51.9Low50Low137 Ų13776.1 Ų76.173%0.73342%0.42SS*.Hα-helixtrans-69.7-26176.6-64.3-27.7000113.1A116 A117A116-D120 PolarHBondContact O-N 2.68Å; A116-D120 VanDerWaalsContact O-N 3.12Å; A117-D120 PolarHBondContact O-N 3.38Å
121S48.8Very low50.4Low86 Ų8672.5 Ų72.560%0.60141%0.41SS*.Hα-helixtrans-98.8-11.5-179.350.70000114.1A117 L118 F119A117-S121 WeakPolarHBondContact O-CB 3.38Å; A117-S121 PolarHBondContact O-N 3.29Å; A117-S121 PolarHBondContact O-OG 3.09Å; L118-S121 WeakPolarHBondContact CA-OG 3.41Å; L118-S121 PolarHBondContact O-N 3.43Å; L118-S121 PolarHBondContact O-OG 3.04Å; F119-S121 VanDerWaalsContact C-N 3.29Å; F119-S121 PolarHBondContact O-N 3.12Å
122L58.7Low50.3Low9 Ų974.9 Ų74.95%0.04743%0.426CS..SBendtrans-77.6131.6170.3-80.2166.6000108.6Y73 L118 F124Y73-L122 HydrophobicContact CD1-CD2 4.14Å; Y73-L122 HydrophobicContact CD2-CD2 4.45Å; Y73-L122 HydrophobicContact CE1-CD2 4.03Å; Y73-L122 HydrophobicContact CE2-CD2 4.37Å; Y73-L122 HydrophobicContact CG-CD2 4.36Å; L118-L122 HydrophobicContact CD2-CD1 3.81Å; L118-L122 HydrophobicContact CD2-CG 4.16Å; L118-L122 WeakPolarHBondContact O-CB 3.33Å; L118-L122 WeakPolarHBondContact O-CD1 3.38Å; L118-L122 WeakPolarHBondContact O-CG 3.41Å; L118-L122 PolarHBondContact O-N 2.91Å; L122-F124 HydrophobicContact CB-CD2 3.69Å; L122-F124 HydrophobicContact CB-CE2 4.42Å; L122-F124 HydrophobicContact CD1-CD2 4.07Å; L122-F124 HydrophobicContact CD1-CE2 4.32Å; L122-F124 HydrophobicContact CD2-CD2 4.1Å; L122-F124 HydrophobicContact CD2-CE2 3.96Å; L122-F124 HydrophobicContact CG-CD2 4.16Å; L122-F124 HydrophobicContact CG-CE2 4.47Å; L122-F124 PolarHBondContact O-N 3.43Å
123P54.3Low50.5Low69 Ų6972.1 Ų72.145%0.44841%0.413SS..THydrogen-bonded Turntrans-68.916-178.328.4-34.6000114.3N57N57-P123 WeakPolarHBondContact OD1-CG 3.34Å
124F54.3Low50.6Low35 Ų3569.4 Ų69.415%0.15440%0.403CS..THydrogen-bonded Turntrans-84.3-12.6-178.3-68.3-62.8000114.4V48 F53 V84 L122V48-F124 HydrophobicContact CG1-CD1 4.25Å; V48-F124 HydrophobicContact CG1-CE1 3.5Å; V48-F124 HydrophobicContact CG1-CZ 4.24Å; F53-F124 HydrophobicContact CB-CE1 4.03Å; F53-F124 HydrophobicContact CB-CZ 4.42Å; F53-F124 HydrophobicContact CD1-CE1 4.24Å; F53-F124 AromaticContact CD1-CZ 3.77Å; F53-F124 HydrophobicContact CD1-CZ 3.77Å; F53-F124 HydrophobicContact CD2-CD1 4.09Å; F53-F124 AromaticContact CD2-CE1 3.1Å; F53-F124 HydrophobicContact CD2-CE1 3.1Å; F53-F124 AromaticContact CD2-CE2 3.9Å; F53-F124 HydrophobicContact CD2-CE2 3.9Å; F53-F124 AromaticContact CD2-CZ 3.01Å; F53-F124 HydrophobicContact CD2-CZ 3.01Å; F53-F124 HydrophobicContact CE1-CE2 4.38Å; F53-F124 AromaticContact CE1-CZ 3.67Å; F53-F124 HydrophobicContact CE1-CZ 3.67Å; F53-F124 HydrophobicContact CE2-CD1 4.42Å; F53-F124 HydrophobicContact CE2-CD2 4.31Å; F53-F124 AromaticContact CE2-CE1 3.52Å; F53-F124 HydrophobicContact CE2-CE1 3.52Å; F53-F124 AromaticContact CE2-CE2 3.35Å; F53-F124 HydrophobicContact CE2-CE2 3.35Å; F53-F124 AromaticContact CE2-CZ 2.9Å; F53-F124 HydrophobicContact CE2-CZ 2.9Å; F53-F124 AromaticContact CG-CE1 3.51Å; F53-F124 HydrophobicContact CG-CE1 3.51Å; F53-F124 AromaticContact CG-CZ 3.45Å; F53-F124 HydrophobicContact CG-CZ 3.45Å; F53-F124 VanDerWaalsContact CG-CZ 3.45Å; F53-F124 HydrophobicContact CZ-CE1 4.21Å; F53-F124 AromaticContact CZ-CE2 3.61Å; F53-F124 HydrophobicContact CZ-CE2 3.61Å; F53-F124 AromaticContact CZ-CZ 3.24Å; F53-F124 HydrophobicContact CZ-CZ 3.24Å; V84-F124 HydrophobicContact CG1-CZ 3.98Å; V84-F124 HydrophobicContact CG2-CE2 4.12Å; V84-F124 HydrophobicContact CG2-CZ 4.01Å; L122-F124 HydrophobicContact CB-CD2 3.69Å; L122-F124 HydrophobicContact CB-CE2 4.42Å; L122-F124 HydrophobicContact CD1-CD2 4.07Å; L122-F124 HydrophobicContact CD1-CE2 4.32Å; L122-F124 HydrophobicContact CD2-CD2 4.1Å; L122-F124 HydrophobicContact CD2-CE2 3.96Å; L122-F124 HydrophobicContact CG-CD2 4.16Å; L122-F124 HydrophobicContact CG-CE2 4.47Å; L122-F124 PolarHBondContact O-N 3.43Å
125V44Very low50.8Low86 Ų8671.4 Ų71.452%0.52141%0.41SS..  trans-102.710.7-169.6-1740000113.3M44 F119M44-V125 HydrophobicContact CE-CG2 4.41Å; F119-V125 WeakPolarHBondContact O-CG2 2.89Å
126Q39.3Very low50.7Low253 Ų25376.3 Ų76.3100%1.18244%0.439SS*.  trans-890170.7-73.1-166.8-5900112.6

Retrieved 126 of 126 residues in 79.5 ms (Link to these results)