Z4YL33_MOUSE Loading...

Dual specificity phosphatase 22

AlphaFold DB , UniProt , Accession Z4YL33, Species MOUSE (Mus musculus, Mouse), Gene Dusp22, Length 90 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
1M51.7Low84.7Confident182 Ų18279.7 Ų79.790%0.89749%0.49SS*.  0121.20-68.6174175.500107.3V90M1-V90 HydrophobicContact CE-CB 3.83Å; M1-V90 HydrophobicContact CE-CG1 3.5Å; M1-V90 HydrophobicContact CG-CB 4.49Å; M1-V90 HydrophobicContact CG-CG1 3.93Å; M1-V90 HydrophobicContact SD-CG1 4.4Å
2G55Low85.9Confident58 Ų5875.3 Ų75.360%0.59846%0.461SS*.  trans-62.1159.9-175.500000113.1G4G2-G4 VanDerWaalsContact C-N 3.26Å; G2-G4 PolarHBondContact O-N 3.4Å
3S70.6Confident86.8Confident139 Ų13971.1 Ų71.197%0.97243%0.431SS*.SBendtrans-803.5-174.950.30000115
4G84.9Confident87.5Confident17 Ų1770.4 Ų70.418%0.17542%0.423CS..SBendtrans171.5176.4179.400000112.1G2 D19G2-G4 VanDerWaalsContact C-N 3.26Å; G2-G4 PolarHBondContact O-N 3.4Å; G4-D19 WeakPolarHBondContact CA-OD1 3.38Å
5M92.9Very high87.9Confident18 Ų1866.4 Ų66.49%0.08940%0.402CS..  trans-64.1138174.168.2-176.26700110.8Y13 I14 D19 Q25 L26 N29 V31 L85M5-Y13 HydrophobicContact CG-CD1 4.1Å; M5-Y13 HydrophobicContact SD-CD1 4.19Å; M5-Y13 HydrophobicContact SD-CG 4.31Å; M5-I14 CarbonylContact C-O 3.55Å; M5-I14 WeakPolarHBondContact CA-O 3.42Å; M5-D19 HydrophobicContact CB-CB 4.15Å; M5-D19 HydrophobicContact CE-CB 4.18Å; M5-Q25 HydrophobicContact CE-CB 3.55Å; M5-Q25 HydrophobicContact SD-CB 4.41Å; M5-L26 HydrophobicContact CE-CD2 3.91Å; M5-L26 HydrophobicContact CE-CG 4.34Å; M5-N29 WeakPolarHBondContact CG-ND2 3.2Å; M5-N29 HydrophobicContact SD-CB 4.17Å; M5-N29 PolarHBondContact SD-ND2 3.23Å; M5-V31 HydrophobicContact SD-CG2 4.16Å; M5-L85 HydrophobicContact CB-CD1 3.97Å; M5-L85 HydrophobicContact CE-CD1 4.44Å; M5-L85 HydrophobicContact CE-CD2 3.98Å; M5-L85 HydrophobicContact SD-CD1 4.28Å
6S94.8Very high88.2Confident69 Ų6963.9 Ų63.948%0.48339%0.386SS..EExtended strand (participates in β ladder)trans-104.9130.4-178.8-63.20000110.4I8 Y13 I14S6-I8 PolarHBondContact O-N 2.95Å; S6-Y13 CarbonylContact O-C 3.55Å; S6-Y13 VanDerWaalsContact O-CA 3.3Å; S6-Y13 WeakPolarHBondContact O-CA 3.48Å; S6-I14 PolarHBondContact N-O 3.1Å; S6-I14 PolarHBondContact O-N 2.93Å
7Q96.1Very high88.3Confident111 Ų11163.1 Ų63.152%0.51938%0.376SS..EExtended strand (participates in β ladder)trans-75.8124.1174.1-168175.53.600109.9L9 Y13Q7-L9 WeakPolarHBondContact CG-O 3.32Å; Q7-L9 PolarHBondContact NE2-O 3.17Å; Q7-Y13 HydrophobicContact CB-CD1 3.8Å; Q7-Y13 HydrophobicContact CB-CE1 3.51Å; Q7-Y13 HydrophobicContact CG-CD1 4.2Å; Q7-Y13 HydrophobicContact CG-CE1 3.74Å; Q7-Y13 HydrophobicContact CG-CE2 4.47Å
8I96.8Very high88.4Confident90 Ų9068.3 Ų68.346%0.46239%0.393SS..EExtended strand (participates in β ladder)trans-97.2-42.1178-52-55.8000110.2S6 L12 I14S6-I8 PolarHBondContact O-N 2.95Å; I8-L12 PolarHBondContact N-O 3.41Å; I8-I14 HydrophobicContact CD1-CB 4.24Å; I8-I14 HydrophobicContact CD1-CD1 3.96Å; I8-I14 HydrophobicContact CD1-CG1 4.23Å; I8-I14 HydrophobicContact CG1-CB 4.08Å; I8-I14 HydrophobicContact CG1-CD1 3.64Å; I8-I14 HydrophobicContact CG1-CG1 3.67Å
9L95.9Very high88.6Confident85 Ų8565.1 Ų65.145%0.44537%0.374SS..EExtended strand (participates in β ladder)trans-144.1166.1176.9-68.9173.7000109.6Q7 G11 L12Q7-L9 WeakPolarHBondContact CG-O 3.32Å; Q7-L9 PolarHBondContact NE2-O 3.17Å; L9-G11 PolarHBondContact O-N 3.26Å; L9-G11 VanDerWaalsContact O-N 3.12Å; L9-L12 HydrophobicContact CB-CB 4.19Å; L9-L12 HydrophobicContact CD1-CD2 4.48Å; L9-L12 PolarHBondContact N-O 3.44Å; L9-L12 PolarHBondContact O-N 3.4Å; L9-L12 VanDerWaalsContact O-O 3.12Å
10P96.6Very high88.8Confident96 Ų9662.1 Ų62.162%0.62336%0.357SS*.THydrogen-bonded Turntrans-52.6120.6167.4-26.636000111.2R78P10-R78 PolarHBondContact O-NE 2.92Å; P10-R78 PolarHBondContact O-NH2 3.49Å
11G96.7Very high88.9Confident12 Ų1265.8 Ų65.812%0.12437%0.365CS..THydrogen-bonded Turntrans75.212.5-177.400000115.7L9 S83 C84L9-G11 PolarHBondContact O-N 3.26Å; L9-G11 VanDerWaalsContact O-N 3.12Å; G11-S83 WeakPolarHBondContact O-CA 3.26Å; G11-C84 PolarHBondContact O-N 3.05Å
12L98.3Very high90.9Very high27 Ų2759.3 Ų59.314%0.14134%0.335CS..EExtended strand (participates in β ladder)trans-136.2123178.5-177.261.4000112.2I8 L9 I74 C84 V86I8-L12 PolarHBondContact N-O 3.41Å; L9-L12 HydrophobicContact CB-CB 4.19Å; L9-L12 HydrophobicContact CD1-CD2 4.48Å; L9-L12 PolarHBondContact N-O 3.44Å; L9-L12 PolarHBondContact O-N 3.4Å; L9-L12 VanDerWaalsContact O-O 3.12Å; L12-I74 HydrophobicContact CD1-CD1 4.35Å; L12-I74 HydrophobicContact CD1-CG1 4.42Å; L12-I74 HydrophobicContact CD1-CG2 3.85Å; L12-I74 HydrophobicContact CD2-CG2 4.38Å; L12-C84 WeakPolarHBondContact CA-O 3.4Å; L12-C84 HydrophobicContact CD1-CB 4.42Å; L12-V86 HydrophobicContact CD1-CG2 3.93Å
13Y97.9Very high92.6Very high20 Ų2059.9 Ų59.98%0.07833%0.333CS..EExtended strand (participates in β ladder)trans-123.7151.7-178.4-63.4-98.4000111.1M5 S6 Q7 N29 V31 C84 V86M5-Y13 HydrophobicContact CG-CD1 4.1Å; M5-Y13 HydrophobicContact SD-CD1 4.19Å; M5-Y13 HydrophobicContact SD-CG 4.31Å; S6-Y13 CarbonylContact O-C 3.55Å; S6-Y13 VanDerWaalsContact O-CA 3.3Å; S6-Y13 WeakPolarHBondContact O-CA 3.48Å; Q7-Y13 HydrophobicContact CB-CD1 3.8Å; Q7-Y13 HydrophobicContact CB-CE1 3.51Å; Q7-Y13 HydrophobicContact CG-CD1 4.2Å; Q7-Y13 HydrophobicContact CG-CE1 3.74Å; Q7-Y13 HydrophobicContact CG-CE2 4.47Å; Y13-N29 HydrophobicContact CE1-CB 3.98Å; Y13-N29 HydrophobicContact CE2-CB 4.19Å; Y13-V31 HydrophobicContact CD2-CG2 4.48Å; Y13-C84 PolarHBondContact N-O 3.26Å; Y13-V86 PolarHBondContact O-N 3.22Å
14I96.4Very high93.7Very high62 Ų6259.8 Ų59.832%0.31832%0.318SS..EExtended strand (participates in β ladder)trans-119.8136.3169.4-72.1178.8000108.7M5 S6 I8 V86 W88M5-I14 CarbonylContact C-O 3.55Å; M5-I14 WeakPolarHBondContact CA-O 3.42Å; S6-I14 PolarHBondContact N-O 3.1Å; S6-I14 PolarHBondContact O-N 2.93Å; I8-I14 HydrophobicContact CD1-CB 4.24Å; I8-I14 HydrophobicContact CD1-CD1 3.96Å; I8-I14 HydrophobicContact CD1-CG1 4.23Å; I8-I14 HydrophobicContact CG1-CB 4.08Å; I8-I14 HydrophobicContact CG1-CD1 3.64Å; I8-I14 HydrophobicContact CG1-CG1 3.67Å; I14-V86 WeakPolarHBondContact CA-O 3.11Å; I14-W88 HydrophobicContact CG2-CH2 3.47Å; I14-W88 VanDerWaalsContact CG2-CH2 3.47Å; I14-W88 HydrophobicContact CG2-CZ3 3.5Å; I14-W88 VanDerWaalsContact CG2-CZ3 3.5Å
15G94.4Very high94.1Very high10 Ų1059.8 Ų59.810%0.10331%0.313CS..EExtended strand (participates in β ladder)trans-153.1180177.700000112.8D19 V86 H87G15-D19 WeakPolarHBondContact CA-OD2 3.48Å; G15-V86 PolarHBondContact N-O 3.17Å; G15-H87 VanDerWaalsContact O-CA 3.31Å; G15-H87 WeakPolarHBondContact O-CA 3.44Å; G15-H87 WeakPolarHBondContact O-CB 3.26Å
16N91.6Very high94.2Very high27 Ų2759.4 Ų59.414%0.14431%0.311CS..EExtended strand (participates in β ladder)trans-96.1179172.764.451.5000111.2K18 D19 A20 V90N16-K18 VanDerWaalsContact C-N 3.27Å; N16-K18 PolarHBondContact O-N 3.46Å; N16-K18 VanDerWaalsContact OD1-CA 3.32Å; N16-K18 WeakPolarHBondContact OD1-CA 3.42Å; N16-K18 WeakPolarHBondContact OD1-CB 3.29Å; N16-K18 PolarHBondContact OD1-N 3.29Å; N16-D19 PolarHBondContact N-OD2 3.49Å; N16-D19 PolarHBondContact ND2-OD2 3.23Å; N16-D19 PolarHBondContact O-N 3.2Å; N16-D19 PolarHBondContact OD1-N 3.12Å; N16-D19 PolarHBondContact OD1-OD2 2.84Å; N16-A20 PolarHBondContact O-N 2.97Å; N16-A20 VanDerWaalsContact O-N 3.15Å; N16-V90 HydrophobicContact CB-CG2 3.85Å
17F90.1Very high94.1Very high49 Ų4960.5 Ų60.522%0.21532%0.319CS..THydrogen-bonded Turntrans-58-33.1177.5178.9-101.2000114.4M44 W88 Y89F17-M44 HydrophobicContact CE2-SD 3.93Å; F17-M44 HydrophobicContact CZ-CE 4.31Å; F17-M44 HydrophobicContact CZ-SD 4.19Å; F17-W88 PolarHBondContact N-O 3.49Å; F17-Y89 HydrophobicContact CB-CD1 3.86Å; F17-Y89 HydrophobicContact CB-CE1 3.89Å; F17-Y89 AromaticContact CD1-CE1 3.97Å; F17-Y89 HydrophobicContact CD1-CE1 3.97Å; F17-Y89 HydrophobicContact CD2-CD1 4.31Å; F17-Y89 AromaticContact CD2-CE1 3.56Å; F17-Y89 HydrophobicContact CD2-CE1 3.56Å; F17-Y89 HydrophobicContact CE1-CE1 4.39Å; F17-Y89 HydrophobicContact CE2-CE1 4.03Å; F17-Y89 HydrophobicContact CG-CD1 4.05Å; F17-Y89 AromaticContact CG-CE1 3.52Å; F17-Y89 HydrophobicContact CG-CE1 3.52Å; F17-Y89 HydrophobicContact CZ-CE1 4.41Å
18K91.3Very high94Very high158 Ų15862.5 Ų62.569%0.68732%0.322SS*.THydrogen-bonded Turntrans-67.6-43.9176.5-173.8-172.9174.6-172.50110.5N16 A20 R21 D22N16-K18 VanDerWaalsContact C-N 3.27Å; N16-K18 PolarHBondContact O-N 3.46Å; N16-K18 VanDerWaalsContact OD1-CA 3.32Å; N16-K18 WeakPolarHBondContact OD1-CA 3.42Å; N16-K18 WeakPolarHBondContact OD1-CB 3.29Å; N16-K18 PolarHBondContact OD1-N 3.29Å; K18-A20 VanDerWaalsContact C-N 3.28Å; K18-A20 PolarHBondContact O-N 3.49Å; K18-R21 PolarHBondContact O-N 3.44Å; K18-D22 PolarHBondContact O-N 3.48Å; K18-D22 VanDerWaalsContact O-N 3.16Å
19D92.2Very high93.9Very high6 Ų659.6 Ų59.63%0.03231%0.307CS..G310 helixtrans-62.9-36.1178.9-54.9-43.4000111.9G4 M5 G15 N16 R21 D22 Q25G4-D19 WeakPolarHBondContact CA-OD1 3.38Å; M5-D19 HydrophobicContact CB-CB 4.15Å; M5-D19 HydrophobicContact CE-CB 4.18Å; G15-D19 WeakPolarHBondContact CA-OD2 3.48Å; N16-D19 PolarHBondContact N-OD2 3.49Å; N16-D19 PolarHBondContact ND2-OD2 3.23Å; N16-D19 PolarHBondContact O-N 3.2Å; N16-D19 PolarHBondContact OD1-N 3.12Å; N16-D19 PolarHBondContact OD1-OD2 2.84Å; D19-R21 PolarHBondContact O-N 3.3Å; D19-D22 PolarHBondContact O-N 3.26Å; D19-Q25 PolarHBondContact OD1-NE2 2.91Å; D19-Q25 VanDerWaalsContact OD1-NE2 3.15Å
20A91.9Very high93.9Very high5 Ų563.3 Ų63.34%0.04132%0.32CS..G310 helixtrans-67.8-10.3176.200000114.3N16 K18 L85 H87N16-A20 PolarHBondContact O-N 2.97Å; N16-A20 VanDerWaalsContact O-N 3.15Å; K18-A20 VanDerWaalsContact C-N 3.28Å; K18-A20 PolarHBondContact O-N 3.49Å; A20-L85 HydrophobicContact CB-CD2 4Å; A20-H87 HydrophobicContact CB-CB 4.32Å; A20-H87 VanDerWaalsContact CB-CD2 3.47Å; A20-H87 WeakPolarHBondContact CB-CD2 3.36Å
21R91.1Very high93.9Very high140 Ų14059.3 Ų59.353%0.52829%0.293SS..G310 helixtrans-113.7-2.9176-61.8-176.372.8-175.94.9112.9K18 D19 A23 M44K18-R21 PolarHBondContact O-N 3.44Å; D19-R21 PolarHBondContact O-N 3.3Å; R21-A23 PolarHBondContact O-N 3.24Å; R21-M44 HydrophobicContact CG-CE 4.48Å; R21-M44 HydrophobicContact CG-SD 4.41Å
22D93.3Very high94Very high47 Ų4760.8 Ų60.825%0.25130%0.3SS..  trans-8393.6-179-171.2-30.8000109.6K18 D19 E24 Q25 L26K18-D22 PolarHBondContact O-N 3.48Å; K18-D22 VanDerWaalsContact O-N 3.16Å; D19-D22 PolarHBondContact O-N 3.26Å; D22-E24 PolarHBondContact O-N 3.08Å; D22-E24 WeakPolarHBondContact OD1-CB 3.4Å; D22-E24 PolarHBondContact OD1-N 3.47Å; D22-E24 VanDerWaalsContact OD1-N 3.12Å; D22-Q25 HydrophobicContact CB-CB 4.08Å; D22-Q25 HydrophobicContact CB-CG 4.18Å; D22-Q25 PolarHBondContact O-N 3.48Å; D22-Q25 PolarHBondContact OD1-N 2.87Å; D22-Q25 WeakPolarHBondContact OD2-CG 3.44Å; D22-Q25 PolarHBondContact OD2-NE2 3.36Å; D22-L26 WeakPolarHBondContact O-CB 3.35Å; D22-L26 VanDerWaalsContact O-CG 3.26Å; D22-L26 WeakPolarHBondContact O-CG 3.37Å; D22-L26 PolarHBondContact O-N 3.15Å
23A91.3Very high94Very high69 Ų6960 Ų6057%0.5730%0.296SS*.Hα-helixtrans-57.4-30.8-178.300000112.9R21 S27R21-A23 PolarHBondContact O-N 3.24Å; A23-S27 WeakPolarHBondContact O-CB 3.37Å; A23-S27 PolarHBondContact O-N 2.56Å
24E92.8Very high94Very high138 Ų13859.1 Ų59.165%0.64529%0.292SS*.Hα-helixtrans-70.5-47.7178.4-166.7-170.2150.900110.6D22 S27 R28D22-E24 PolarHBondContact O-N 3.08Å; D22-E24 WeakPolarHBondContact OD1-CB 3.4Å; D22-E24 PolarHBondContact OD1-N 3.47Å; D22-E24 VanDerWaalsContact OD1-N 3.12Å; E24-S27 PolarHBondContact O-N 2.87Å; E24-R28 WeakPolarHBondContact O-CB 3.41Å; E24-R28 PolarHBondContact O-N 2.9Å; E24-R28 IonicContact OE1-NH1 2.96Å
25Q93.9Very high94.1Very high16 Ų1656.3 Ų56.38%0.07528%0.278CS..Hα-helixtrans-64.1-42.7176.4-69.8-169.970.900112.2M5 D19 D22 R28 N29M5-Q25 HydrophobicContact CE-CB 3.55Å; M5-Q25 HydrophobicContact SD-CB 4.41Å; D19-Q25 PolarHBondContact OD1-NE2 2.91Å; D19-Q25 VanDerWaalsContact OD1-NE2 3.15Å; D22-Q25 HydrophobicContact CB-CB 4.08Å; D22-Q25 HydrophobicContact CB-CG 4.18Å; D22-Q25 PolarHBondContact O-N 3.48Å; D22-Q25 PolarHBondContact OD1-N 2.87Å; D22-Q25 WeakPolarHBondContact OD2-CG 3.44Å; D22-Q25 PolarHBondContact OD2-NE2 3.36Å; Q25-R28 PolarHBondContact O-N 3.49Å; Q25-N29 WeakPolarHBondContact O-CB 3.35Å; Q25-N29 PolarHBondContact O-N 2.96Å; Q25-N29 PolarHBondContact O-ND2 3.03Å
26L94.9Very high94.2Very high10 Ų1056 Ų565%0.05227%0.274CS..Hα-helixtrans-61.5-46.4178.3-68171.4000111.2M5 D22 N29 K30 V31 I34 L45 L85M5-L26 HydrophobicContact CE-CD2 3.91Å; M5-L26 HydrophobicContact CE-CG 4.34Å; D22-L26 WeakPolarHBondContact O-CB 3.35Å; D22-L26 VanDerWaalsContact O-CG 3.26Å; D22-L26 WeakPolarHBondContact O-CG 3.37Å; D22-L26 PolarHBondContact O-N 3.15Å; L26-N29 PolarHBondContact O-N 3.3Å; L26-K30 PolarHBondContact O-N 3.01Å; L26-V31 HydrophobicContact CB-CB 4.33Å; L26-V31 HydrophobicContact CD2-CB 3.65Å; L26-V31 HydrophobicContact CD2-CG1 3.63Å; L26-V31 HydrophobicContact CD2-CG2 4.05Å; L26-V31 PolarHBondContact O-N 3.01Å; L26-I34 HydrophobicContact CD1-CD1 4.31Å; L26-I34 HydrophobicContact CD2-CD1 4.01Å; L26-L45 HydrophobicContact CD1-CD1 3.31Å; L26-L85 HydrophobicContact CD2-CD2 3.82Å
27S93.4Very high94.4Very high92 Ų9256.2 Ų56.264%0.64328%0.276SS*.Hα-helixtrans-63.9-48.5177.4-178.60000111.8A23 E24 N29 K30A23-S27 WeakPolarHBondContact O-CB 3.37Å; A23-S27 PolarHBondContact O-N 2.56Å; E24-S27 PolarHBondContact O-N 2.87Å; S27-N29 VanDerWaalsContact C-N 3.26Å; S27-N29 PolarHBondContact O-N 3.16Å; S27-K30 PolarHBondContact O-N 3.26Å
28R94.4Very high94.5Very high153 Ų15354.2 Ų54.258%0.57727%0.268SS*.Hα-helixtrans-57.5-38.9179.2-176.5172.367.1-148.94112.5E24 Q25E24-R28 WeakPolarHBondContact O-CB 3.41Å; E24-R28 PolarHBondContact O-N 2.9Å; E24-R28 IonicContact OE1-NH1 2.96Å; Q25-R28 PolarHBondContact O-N 3.49Å
29N94.6Very high94.4Very high30 Ų3051.8 Ų51.816%0.1626%0.262CS..THydrogen-bonded Turntrans-93.75-179.4-64.7-35.3000113.5M5 Y13 Q25 L26 S27 V31 S83M5-N29 WeakPolarHBondContact CG-ND2 3.2Å; M5-N29 HydrophobicContact SD-CB 4.17Å; M5-N29 PolarHBondContact SD-ND2 3.23Å; Y13-N29 HydrophobicContact CE1-CB 3.98Å; Y13-N29 HydrophobicContact CE2-CB 4.19Å; Q25-N29 WeakPolarHBondContact O-CB 3.35Å; Q25-N29 PolarHBondContact O-N 2.96Å; Q25-N29 PolarHBondContact O-ND2 3.03Å; L26-N29 PolarHBondContact O-N 3.3Å; S27-N29 VanDerWaalsContact C-N 3.26Å; S27-N29 PolarHBondContact O-N 3.16Å; N29-V31 HydrophobicContact CB-CG2 3.99Å; N29-V31 PolarHBondContact O-N 3.39Å; N29-S83 WeakPolarHBondContact O-CB 3.17Å; N29-S83 PolarHBondContact O-OG 3.21Å
30K94.9Very high94.2Very high163 Ų16355 Ų5571%0.70928%0.283SS*.THydrogen-bonded Turntrans52.739.4-179.5-56.4179.7-179179.80112.9L26 S27 T32 S83L26-K30 PolarHBondContact O-N 3.01Å; S27-K30 PolarHBondContact O-N 3.26Å; K30-T32 PolarHBondContact O-N 3.48Å; K30-S83 WeakPolarHBondContact O-CB 3.32Å
31V97.1Very high94.1Very high11 Ų1155.6 Ų55.67%0.06729%0.287CS..EExtended strand (participates in β ladder)trans-72.6116.4179179.20000109M5 Y13 L26 N29 H33 I34 S83 L85M5-V31 HydrophobicContact SD-CG2 4.16Å; Y13-V31 HydrophobicContact CD2-CG2 4.48Å; L26-V31 HydrophobicContact CB-CB 4.33Å; L26-V31 HydrophobicContact CD2-CB 3.65Å; L26-V31 HydrophobicContact CD2-CG1 3.63Å; L26-V31 HydrophobicContact CD2-CG2 4.05Å; L26-V31 PolarHBondContact O-N 3.01Å; N29-V31 HydrophobicContact CB-CG2 3.99Å; N29-V31 PolarHBondContact O-N 3.39Å; V31-H33 VanDerWaalsContact CG1-O 3.31Å; V31-H33 WeakPolarHBondContact CG1-O 3.12Å; V31-I34 HydrophobicContact CG1-CG1 3.99Å; V31-S83 WeakPolarHBondContact CA-O 3.21Å; V31-L85 HydrophobicContact CG1-CB 3.71Å; V31-L85 HydrophobicContact CG2-CB 4.38Å
32T97.4Very high94.1Very high44 Ų4456.9 Ų56.927%0.2729%0.292SS..EExtended strand (participates in β ladder)trans-112.9-15.5176.761.40000112.1K30 V48 K49 E82 S83K30-T32 PolarHBondContact O-N 3.48Å; T32-V48 WeakPolarHBondContact O-CA 2.8Å; T32-K49 PolarHBondContact O-N 2.85Å; T32-E82 WeakPolarHBondContact CB-OE2 3.32Å; T32-E82 WeakPolarHBondContact OG1-CB 3.42Å; T32-E82 PolarHBondContact OG1-OE2 3.27Å; T32-S83 PolarHBondContact N-O 3.06Å; T32-S83 VanDerWaalsContact N-O 3.08Å
33H98.4Very high94.1Very high11 Ų1158.9 Ų58.95%0.05131%0.308CS..EExtended strand (participates in β ladder)trans-123.6134179.8-70.573.6000110.7V31 K49 F73 C77 E82 S83 C84 L85V31-H33 VanDerWaalsContact CG1-O 3.31Å; V31-H33 WeakPolarHBondContact CG1-O 3.12Å; H33-K49 CarbonylContact C-O 3.57Å; H33-K49 VanDerWaalsContact CA-O 3.31Å; H33-K49 WeakPolarHBondContact CA-O 3.36Å; H33-K49 VanDerWaalsContact CE1-CD 3.49Å; H33-K49 WeakPolarHBondContact CE1-CD 3.31Å; H33-K49 WeakPolarHBondContact NE2-CD 3.31Å; H33-F73 HydrophobicContact CB-CE1 3.84Å; H33-F73 HydrophobicContact CB-CZ 3.81Å; H33-F73 AromaticContact CD2-CE2 3.7Å; H33-F73 AromaticContact CD2-CZ 3.58Å; H33-C77 HydrophobicContact CB-CB 4.18Å; H33-C77 PolarHBondContact ND1-SG 3.14Å; H33-C77 VanDerWaalsContact ND1-SG 3.36Å; H33-E82 IonicContact CE1-OE2 3.78Å; H33-E82 PolarHBondContact CE1-OE2 3.45Å; H33-E82 IonicContact ND1-OE2 3.93Å; H33-E82 PolarHBondContact ND1-OE2 3.48Å; H33-E82 VanDerWaalsContact ND1-OE2 3.15Å; H33-S83 PolarHBondContact N-O 3.29Å; H33-C84 HydrophobicContact CB-CB 4.15Å; H33-C84 CarbonylContact O-C 3.58Å; H33-C84 WeakPolarHBondContact O-CA 3.26Å; H33-L85 PolarHBondContact O-N 3.35Å
34I98.1Very high94Very high0 Ų059.1 Ų59.10%030%0.298CS..EExtended strand (participates in β ladder)trans-126.1124.6175-64.2-179.3000109.7L26 V31 V48 K49 Y50 L51 L85 H87L26-I34 HydrophobicContact CD1-CD1 4.31Å; L26-I34 HydrophobicContact CD2-CD1 4.01Å; V31-I34 HydrophobicContact CG1-CG1 3.99Å; I34-V48 HydrophobicContact CB-CG1 4.06Å; I34-V48 HydrophobicContact CD1-CG1 3.75Å; I34-V48 HydrophobicContact CG1-CG1 3.59Å; I34-K49 PolarHBondContact N-O 2.91Å; I34-Y50 HydrophobicContact CB-CD1 3.78Å; I34-Y50 HydrophobicContact CB-CE1 3.62Å; I34-Y50 HydrophobicContact CD1-CE1 3.96Å; I34-Y50 HydrophobicContact CG1-CE1 4.3Å; I34-Y50 HydrophobicContact CG2-CD1 3.97Å; I34-Y50 HydrophobicContact CG2-CE1 3.75Å; I34-Y50 VanDerWaalsContact O-CA 3.31Å; I34-Y50 WeakPolarHBondContact O-CA 3.43Å; I34-L51 PolarHBondContact O-N 2.88Å; I34-L85 CarbonylContact C-O 3.58Å; I34-L85 WeakPolarHBondContact CA-O 3.44Å; I34-L85 HydrophobicContact CG1-CB 4.32Å; I34-H87 VanDerWaalsContact CG2-CD2 3.49Å; I34-H87 WeakPolarHBondContact CG2-CD2 3.34Å
35L98.1Very high93.9Very high3 Ų355.4 Ų55.42%0.01628%0.282CS..EExtended strand (participates in β ladder)trans-102.2107.4170.4-165.8169000108.2V37 L51 I53 F73 I74 L85 V86 H87L35-V37 HydrophobicContact CD2-CG2 3.21Å; L35-L51 CarbonylContact C-O 3.57Å; L35-L51 WeakPolarHBondContact CA-O 3.34Å; L35-L51 HydrophobicContact CD1-CD2 4.02Å; L35-L51 HydrophobicContact CG-CB 4.25Å; L35-L51 HydrophobicContact CG-CD2 4.08Å; L35-L51 HydrophobicContact CG-CG 4.29Å; L35-I53 HydrophobicContact CD2-CD1 4.07Å; L35-F73 HydrophobicContact CB-CD1 4.22Å; L35-F73 HydrophobicContact CB-CE1 4.11Å; L35-F73 HydrophobicContact CD1-CD1 4.33Å; L35-I74 HydrophobicContact CD1-CD1 4.01Å; L35-I74 HydrophobicContact CD1-CG1 4.16Å; L35-L85 PolarHBondContact N-O 3.44Å; L35-V86 HydrophobicContact CB-CG2 4.19Å; L35-V86 HydrophobicContact CD2-CG1 4.32Å; L35-V86 WeakPolarHBondContact O-CA 3.43Å; L35-H87 PolarHBondContact O-N 3.4Å
36S96.7Very high93.7Very high3 Ų364 Ų642%0.02132%0.322CS..EExtended strand (participates in β ladder)trans-100.6118.4-177.3-56.20000110.3L51 I53 H87S36-L51 PolarHBondContact N-O 3.26Å; S36-I53 PolarHBondContact O-N 2.78Å; S36-H87 VanDerWaalsContact CB-NE2 3.35Å; S36-H87 WeakPolarHBondContact CB-NE2 3.35Å; S36-H87 PolarHBondContact OG-NE2 3.47Å
37V95.7Very high93.4Very high32 Ų3267.5 Ų67.519%0.19436%0.361CS..EExtended strand (participates in β ladder)trans-115.690.7178.5-169.80000109.4L35 I53 A55 L63 H87 W88L35-V37 HydrophobicContact CD2-CG2 3.21Å; V37-I53 WeakPolarHBondContact CA-O 3.5Å; V37-I53 HydrophobicContact CG1-CG2 4.45Å; V37-A55 HydrophobicContact CG1-CB 3.76Å; V37-L63 HydrophobicContact CG1-CD2 4.18Å; V37-H87 PolarHBondContact N-O 3.32Å; V37-W88 VanDerWaalsContact O-CA 3.31Å; V37-W88 WeakPolarHBondContact O-CA 3.36Å; V37-W88 WeakPolarHBondContact O-CB 3.29Å
38H92.6Very high93.5Very high8 Ų864.5 Ų64.54%0.03734%0.338CS..SBendtrans-167.5162.8175.258.896.1000111.8T40 A41 I53 P54 A55 H87 Y89H38-T40 VanDerWaalsContact CE1-C 3.45Å; H38-T40 PolarHBondContact CE1-OG1 2.96Å; H38-T40 PolarHBondContact ND1-N 2.98Å; H38-T40 PolarHBondContact ND1-OG1 3Å; H38-T40 VanDerWaalsContact ND1-OG1 3.12Å; H38-T40 PolarHBondContact O-N 3.09Å; H38-A41 WeakPolarHBondContact CE1-CA 3.19Å; H38-A41 PolarHBondContact CE1-N 3.28Å; H38-A41 VanDerWaalsContact CE1-N 3.29Å; H38-A41 PolarHBondContact ND1-N 3.08Å; H38-A41 VanDerWaalsContact O-CB 3.27Å; H38-A41 WeakPolarHBondContact O-CB 3.49Å; H38-A41 PolarHBondContact O-N 2.82Å; H38-I53 PolarHBondContact N-O 3.47Å; H38-P54 WeakPolarHBondContact O-CA 3.16Å; H38-A55 CarbonylContact C-O 3.52Å; H38-A55 WeakPolarHBondContact CA-O 3.39Å; H38-H87 AromaticContact CD2-CE1 3.78Å; H38-H87 AromaticContact NE2-CE1 3.58Å; H38-Y89 HydrophobicContact CB-CD2 3.35Å; H38-Y89 HydrophobicContact CB-CE2 3.72Å; H38-Y89 HydrophobicContact CB-CG 4.19Å; H38-Y89 AromaticContact CE1-CE2 3.79Å; H38-Y89 AromaticContact CE1-CZ 3.92Å; H38-Y89 AromaticContact CG-CD2 3.66Å; H38-Y89 AromaticContact CG-CE2 3.52Å; H38-Y89 AromaticContact ND1-CD2 3.73Å; H38-Y89 AromaticContact ND1-CE2 3.08Å; H38-Y89 WeakPolarHBondContact ND1-CE2 3.42Å; H38-Y89 AromaticContact ND1-CZ 3.68Å
39D88.8Confident93.6Very high106 Ų10662.3 Ų62.357%0.56733%0.333SS*.THydrogen-bonded Turntrans-53-32.9-173.9-59.3-42000115A55 A56D39-A55 PolarHBondContact N-O 2.98Å; D39-A56 VanDerWaalsContact OD1-CA 3.26Å; D39-A56 WeakPolarHBondContact OD1-CA 3.4Å; D39-A56 WeakPolarHBondContact OD1-CB 3.44Å; D39-A56 PolarHBondContact OD1-N 3.46Å
40T89.3Confident93.8Very high75 Ų7562.9 Ų62.946%0.4633%0.333SS..THydrogen-bonded Turntrans-110.121.1-175.957.90000113.4H38 R42 Y89H38-T40 VanDerWaalsContact CE1-C 3.45Å; H38-T40 PolarHBondContact CE1-OG1 2.96Å; H38-T40 PolarHBondContact ND1-N 2.98Å; H38-T40 PolarHBondContact ND1-OG1 3Å; H38-T40 VanDerWaalsContact ND1-OG1 3.12Å; H38-T40 PolarHBondContact O-N 3.09Å; T40-R42 PolarHBondContact O-N 2.89Å; T40-Y89 WeakPolarHBondContact OG1-CE2 3.08Å; T40-Y89 PolarHBondContact OG1-OH 3.12Å
41A90.4Very high93.9Very high16 Ų1656.6 Ų56.613%0.13231%0.307CS..  trans-56.9122-176.600000111.5H38 C52H38-A41 WeakPolarHBondContact CE1-CA 3.19Å; H38-A41 PolarHBondContact CE1-N 3.28Å; H38-A41 VanDerWaalsContact CE1-N 3.29Å; H38-A41 PolarHBondContact ND1-N 3.08Å; H38-A41 VanDerWaalsContact O-CB 3.27Å; H38-A41 WeakPolarHBondContact O-CB 3.49Å; H38-A41 PolarHBondContact O-N 2.82Å; A41-C52 HydrophobicContact CB-CB 3.73Å
42R91.1Very high93.9Very high167 Ų16757.9 Ų57.963%0.6332%0.316SS*.  trans-153.2154.6177.664.1-172.4-178.5-148.61.1110.2T40 M44 C52T40-R42 PolarHBondContact O-N 2.89Å; R42-M44 WeakPolarHBondContact O-CG 3.38Å; R42-M44 PolarHBondContact O-N 2.85Å; R42-C52 VanDerWaalsContact C-SG 3.55Å; R42-C52 VanDerWaalsContact CA-SG 3.55Å
43P92.3Very high93.8Very high90 Ų9055.9 Ų55.958%0.58430%0.304SS*.  trans-56.3137.7171.2-23.934.4000111.4Y50P43-Y50 HydrophobicContact CB-CD2 3.7Å; P43-Y50 HydrophobicContact CB-CE2 4.14Å; P43-Y50 HydrophobicContact CB-CG 4.06Å; P43-Y50 HydrophobicContact CG-CD2 4.35Å; P43-Y50 HydrophobicContact CG-CG 4.33Å
44M88.9Confident93.6Very high74 Ų7459.2 Ų59.237%0.36533%0.326SS..  trans-128.4-27.5-176.1-62.6-166.471.200114.6F17 R21 R42F17-M44 HydrophobicContact CE2-SD 3.93Å; F17-M44 HydrophobicContact CZ-CE 4.31Å; F17-M44 HydrophobicContact CZ-SD 4.19Å; R21-M44 HydrophobicContact CG-CE 4.48Å; R21-M44 HydrophobicContact CG-SD 4.41Å; R42-M44 WeakPolarHBondContact O-CG 3.38Å; R42-M44 PolarHBondContact O-N 2.85Å
45L90.8Very high93.4Very high60 Ų6059.6 Ų59.631%0.31433%0.329SS..SBendtrans-119.2142.3-176-57.3172.4000110.1L26 V48 Y50L26-L45 HydrophobicContact CD1-CD1 3.31Å; L45-V48 HydrophobicContact CB-CB 4.46Å; L45-V48 HydrophobicContact CB-CG2 4.08Å; L45-Y50 WeakPolarHBondContact CB-OH 3.35Å; L45-Y50 WeakPolarHBondContact CG-OH 3.3Å; L45-Y50 PolarHBondContact N-OH 2.88Å
46E89.4Confident93.1Very high197 Ų19760.9 Ų60.992%0.92134%0.341SS*.THydrogen-bonded Turntrans-72.8150.6171.3-66.1-174.3176.900111V48E46-V48 PolarHBondContact O-N 2.86Å
47G88.8Confident92.8Very high83 Ų8368.2 Ų68.286%0.85638%0.379SS*.THydrogen-bonded Turntrans74.81.2178.900000115.2
48V95.6Very high92.7Very high28 Ų2869.6 Ų69.617%0.1739%0.388CS..  trans-109.2133.1176.6179.80000109.8T32 I34 L45 E46 Y50T32-V48 WeakPolarHBondContact O-CA 2.8Å; I34-V48 HydrophobicContact CB-CG1 4.06Å; I34-V48 HydrophobicContact CD1-CG1 3.75Å; I34-V48 HydrophobicContact CG1-CG1 3.59Å; L45-V48 HydrophobicContact CB-CB 4.46Å; L45-V48 HydrophobicContact CB-CG2 4.08Å; E46-V48 PolarHBondContact O-N 2.86Å; V48-Y50 HydrophobicContact CB-CD2 4.33Å; V48-Y50 HydrophobicContact CB-CE2 3.64Å; V48-Y50 HydrophobicContact CG1-CD2 4.14Å; V48-Y50 HydrophobicContact CG1-CE1 4.43Å; V48-Y50 HydrophobicContact CG1-CE2 3.66Å; V48-Y50 VanDerWaalsContact O-CD2 3.25Å; V48-Y50 WeakPolarHBondContact O-CD2 3.32Å; V48-Y50 WeakPolarHBondContact O-CE2 3.48Å
49K97Very high92.7Very high107 Ų10776.2 Ų76.247%0.46543%0.432SS..EExtended strand (participates in β ladder)trans-84.2132.5173.1-69.6166.2-179.9167.70109.3T32 H33 I34T32-K49 PolarHBondContact O-N 2.85Å; H33-K49 CarbonylContact C-O 3.57Å; H33-K49 VanDerWaalsContact CA-O 3.31Å; H33-K49 WeakPolarHBondContact CA-O 3.36Å; H33-K49 VanDerWaalsContact CE1-CD 3.49Å; H33-K49 WeakPolarHBondContact CE1-CD 3.31Å; H33-K49 WeakPolarHBondContact NE2-CD 3.31Å; I34-K49 PolarHBondContact N-O 2.91Å
50Y97.6Very high93Very high43 Ų4376.2 Ų76.217%0.16944%0.44CS..EExtended strand (participates in β ladder)trans-116.3139.2-176.5-74.6-92.1000112.4I34 P43 L45 V48I34-Y50 HydrophobicContact CB-CD1 3.78Å; I34-Y50 HydrophobicContact CB-CE1 3.62Å; I34-Y50 HydrophobicContact CD1-CE1 3.96Å; I34-Y50 HydrophobicContact CG1-CE1 4.3Å; I34-Y50 HydrophobicContact CG2-CD1 3.97Å; I34-Y50 HydrophobicContact CG2-CE1 3.75Å; I34-Y50 VanDerWaalsContact O-CA 3.31Å; I34-Y50 WeakPolarHBondContact O-CA 3.43Å; P43-Y50 HydrophobicContact CB-CD2 3.7Å; P43-Y50 HydrophobicContact CB-CE2 4.14Å; P43-Y50 HydrophobicContact CB-CG 4.06Å; P43-Y50 HydrophobicContact CG-CD2 4.35Å; P43-Y50 HydrophobicContact CG-CG 4.33Å; L45-Y50 WeakPolarHBondContact CB-OH 3.35Å; L45-Y50 WeakPolarHBondContact CG-OH 3.3Å; L45-Y50 PolarHBondContact N-OH 2.88Å; V48-Y50 HydrophobicContact CB-CD2 4.33Å; V48-Y50 HydrophobicContact CB-CE2 3.64Å; V48-Y50 HydrophobicContact CG1-CD2 4.14Å; V48-Y50 HydrophobicContact CG1-CE1 4.43Å; V48-Y50 HydrophobicContact CG1-CE2 3.66Å; V48-Y50 VanDerWaalsContact O-CD2 3.25Å; V48-Y50 WeakPolarHBondContact O-CD2 3.32Å; V48-Y50 WeakPolarHBondContact O-CE2 3.48Å
51L97.8Very high93.2Very high30 Ų3075 Ų7516%0.15743%0.429CS..EExtended strand (participates in β ladder)trans-114.5111.8156.5176.160.5000107.8I34 L35 S36 I53 E69 F73I34-L51 PolarHBondContact O-N 2.88Å; L35-L51 CarbonylContact C-O 3.57Å; L35-L51 WeakPolarHBondContact CA-O 3.34Å; L35-L51 HydrophobicContact CD1-CD2 4.02Å; L35-L51 HydrophobicContact CG-CB 4.25Å; L35-L51 HydrophobicContact CG-CD2 4.08Å; L35-L51 HydrophobicContact CG-CG 4.29Å; S36-L51 PolarHBondContact N-O 3.26Å; L51-I53 HydrophobicContact CD2-CD1 4.23Å; L51-I53 HydrophobicContact CG-CD1 4.28Å; L51-I53 HydrophobicContact CG-CG1 4.33Å; L51-E69 HydrophobicContact CD2-CG 4.48Å; L51-F73 HydrophobicContact CB-CD1 3.9Å; L51-F73 HydrophobicContact CB-CD2 3.77Å; L51-F73 HydrophobicContact CB-CE1 3.93Å; L51-F73 HydrophobicContact CB-CE2 3.79Å; L51-F73 HydrophobicContact CB-CG 3.81Å; L51-F73 HydrophobicContact CB-CZ 3.86Å; L51-F73 HydrophobicContact CD2-CB 3.67Å; L51-F73 HydrophobicContact CD2-CD1 4.25Å; L51-F73 HydrophobicContact CD2-CD2 4.39Å; L51-F73 HydrophobicContact CD2-CG 3.87Å; L51-F73 HydrophobicContact CG-CG 4.49Å
52C96.8Very high93.4Very high38 Ų3878.3 Ų78.326%0.25745%0.445SS..EExtended strand (participates in β ladder)trans-104.8117.9-178.5-62.30000109.8A41 R42A41-C52 HydrophobicContact CB-CB 3.73Å; R42-C52 VanDerWaalsContact C-SG 3.55Å; R42-C52 VanDerWaalsContact CA-SG 3.55Å
53I96Very high93.6Very high3 Ų374 Ų742%0.01543%0.434CS..EExtended strand (participates in β ladder)trans-113.7105.6178-66.2162.3000108L35 S36 V37 H38 L51 A55 H66 S70L35-I53 HydrophobicContact CD2-CD1 4.07Å; S36-I53 PolarHBondContact O-N 2.78Å; V37-I53 WeakPolarHBondContact CA-O 3.5Å; V37-I53 HydrophobicContact CG1-CG2 4.45Å; H38-I53 PolarHBondContact N-O 3.47Å; L51-I53 HydrophobicContact CD2-CD1 4.23Å; L51-I53 HydrophobicContact CG-CD1 4.28Å; L51-I53 HydrophobicContact CG-CG1 4.33Å; I53-A55 HydrophobicContact CG2-CB 4.21Å; I53-A55 PolarHBondContact O-N 2.89Å; I53-A55 VanDerWaalsContact O-N 3.14Å; I53-H66 HydrophobicContact CD1-CB 3.9Å; I53-H66 HydrophobicContact CG2-CB 4.27Å; I53-S70 WeakPolarHBondContact CD1-OG 3.47Å
54P93.8Very high93.8Very high80 Ų8074.2 Ų74.252%0.51943%0.433SS..  trans-65.5111.1171-19.833000110H38H38-P54 WeakPolarHBondContact O-CA 3.16Å
55A93.3Very high94.2Very high8 Ų878.4 Ų78.47%0.06645%0.445CS..  trans-151.8132-178.400000110.7V37 H38 D39 I53 Q61 L63V37-A55 HydrophobicContact CG1-CB 3.76Å; H38-A55 CarbonylContact C-O 3.52Å; H38-A55 WeakPolarHBondContact CA-O 3.39Å; D39-A55 PolarHBondContact N-O 2.98Å; I53-A55 HydrophobicContact CG2-CB 4.21Å; I53-A55 PolarHBondContact O-N 2.89Å; I53-A55 VanDerWaalsContact O-N 3.14Å; A55-Q61 HydrophobicContact CB-CG 3.86Å; A55-L63 HydrophobicContact CB-CD2 3.8Å
56A92.2Very high94.5Very high31 Ų3176.7 Ų76.726%0.25644%0.436SS..  trans-86.3148.9175.900000110.8D39 T58 Q61D39-A56 VanDerWaalsContact OD1-CA 3.26Å; D39-A56 WeakPolarHBondContact OD1-CA 3.4Å; D39-A56 WeakPolarHBondContact OD1-CB 3.44Å; D39-A56 PolarHBondContact OD1-N 3.46Å; A56-T58 HydrophobicContact CB-CG2 4.16Å; A56-T58 PolarHBondContact O-N 2.93Å; A56-Q61 WeakPolarHBondContact O-CB 3.42Å; A56-Q61 VanDerWaalsContact O-CG 3.32Å; A56-Q61 WeakPolarHBondContact O-CG 3.18Å
57D91.5Very high94.9Very high156 Ų15672.5 Ų72.583%0.83441%0.414SS*.SBendtrans-79.570.4173.1-169.720.5000110.7
58T92.3Very high95.3Very high62 Ų6277.2 Ų77.238%0.3841%0.412SS..SBendtrans-132.6147.717865.90000110.3A56 S60 Q61A56-T58 HydrophobicContact CB-CG2 4.16Å; A56-T58 PolarHBondContact O-N 2.93Å; T58-S60 PolarHBondContact O-N 3.34Å; T58-S60 VanDerWaalsContact O-N 3.1Å; T58-S60 PolarHBondContact OG1-OG 3.06Å; T58-Q61 VanDerWaalsContact O-CB 3.26Å; T58-Q61 WeakPolarHBondContact O-CB 3.26Å; T58-Q61 PolarHBondContact O-N 3.25Å; T58-Q61 PolarHBondContact OG1-N 3.21Å
59P93.4Very high95.4Very high146 Ų14679.8 Ų79.895%0.94842%0.422SS*.THydrogen-bonded Turntrans-59.5-24.2175.9-24.934.4000113.9Q61P59-Q61 VanDerWaalsContact C-N 3.3Å
60S94.1Very high95.5Very high106 Ų10675.6 Ų75.674%0.74141%0.406SS*.THydrogen-bonded Turntrans-75.4-14.3175.742.10000114.1T58 N62T58-S60 PolarHBondContact O-N 3.34Å; T58-S60 VanDerWaalsContact O-N 3.1Å; T58-S60 PolarHBondContact OG1-OG 3.06Å; S60-N62 PolarHBondContact O-N 3.12Å
61Q94.3Very high95.5Very high50 Ų5078.8 Ų78.823%0.23443%0.425CS..  trans-71.4115.7-178.9-177.366.439.800110.6A55 A56 T58 P59 L63A55-Q61 HydrophobicContact CB-CG 3.86Å; A56-Q61 WeakPolarHBondContact O-CB 3.42Å; A56-Q61 VanDerWaalsContact O-CG 3.32Å; A56-Q61 WeakPolarHBondContact O-CG 3.18Å; T58-Q61 VanDerWaalsContact O-CB 3.26Å; T58-Q61 WeakPolarHBondContact O-CB 3.26Å; T58-Q61 PolarHBondContact O-N 3.25Å; T58-Q61 PolarHBondContact OG1-N 3.21Å; P59-Q61 VanDerWaalsContact C-N 3.3Å; Q61-L63 HydrophobicContact CG-CD2 4.01Å; Q61-L63 HydrophobicContact CG-CG 4.31Å; Q61-L63 PolarHBondContact O-N 3.15Å; Q61-L63 VanDerWaalsContact O-N 3.14Å
62N94.6Very high95.5Very high86 Ų8683.2 Ų83.246%0.4644%0.443SS..  trans-80.596.8175.6-175.3-17.3000110.9S60 T64 R65S60-N62 PolarHBondContact O-N 3.12Å; N62-T64 WeakPolarHBondContact OD1-CB 3.48Å; N62-T64 PolarHBondContact OD1-N 3.05Å; N62-R65 WeakPolarHBondContact O-CG 3.42Å; N62-R65 PolarHBondContact OD1-N 2.68Å
63L95.6Very high95.6Very high75 Ų7582.9 Ų82.939%0.39344%0.437SS..  trans-81.2-22.6173.4-65.2178.4000113.2V37 A55 Q61 R65 H66 F67V37-L63 HydrophobicContact CG1-CD2 4.18Å; A55-L63 HydrophobicContact CB-CD2 3.8Å; Q61-L63 HydrophobicContact CG-CD2 4.01Å; Q61-L63 HydrophobicContact CG-CG 4.31Å; Q61-L63 PolarHBondContact O-N 3.15Å; Q61-L63 VanDerWaalsContact O-N 3.14Å; L63-R65 PolarHBondContact O-N 2.88Å; L63-H66 WeakPolarHBondContact O-CB 3.24Å; L63-H66 PolarHBondContact O-N 2.95Å; L63-F67 HydrophobicContact CB-CE1 4.06Å; L63-F67 VanDerWaalsContact O-CD1 3.24Å; L63-F67 WeakPolarHBondContact O-CD1 3.5Å; L63-F67 WeakPolarHBondContact O-CE1 3.25Å
64T96.6Very high95.7Very high95 Ų9584.2 Ų84.258%0.58344%0.444SS*.G310 helixtrans-58.9-36.1-175.9-50.80000112.3N62 H66 F67N62-T64 WeakPolarHBondContact OD1-CB 3.48Å; N62-T64 PolarHBondContact OD1-N 3.05Å; T64-H66 PolarHBondContact O-N 2.71Å; T64-H66 VanDerWaalsContact O-N 3.15Å; T64-F67 HydrophobicContact CG2-CD2 4.04Å; T64-F67 HydrophobicContact CG2-CE2 4.14Å; T64-F67 WeakPolarHBondContact O-CB 3.46Å; T64-F67 PolarHBondContact O-N 2.92Å; T64-F67 VanDerWaalsContact O-N 3.12Å
65R96.2Very high95.9Very high162 Ų16285.1 Ų85.161%0.61144%0.441SS*.G310 helixtrans-59.9-24.3176.273.3-172.6-175.5169.13.9113.4N62 L63N62-R65 WeakPolarHBondContact O-CG 3.42Å; N62-R65 PolarHBondContact OD1-N 2.68Å; L63-R65 PolarHBondContact O-N 2.88Å
66H97.3Very high96.1Very high24 Ų2489.2 Ų89.211%0.11146%0.458CS..G310 helixtrans-95-4.9-178.7-58.8-67.9000113.3I53 L63 T64 K68 E69 S70I53-H66 HydrophobicContact CD1-CB 3.9Å; I53-H66 HydrophobicContact CG2-CB 4.27Å; L63-H66 WeakPolarHBondContact O-CB 3.24Å; L63-H66 PolarHBondContact O-N 2.95Å; T64-H66 PolarHBondContact O-N 2.71Å; T64-H66 VanDerWaalsContact O-N 3.15Å; H66-K68 PolarHBondContact O-N 2.9Å; H66-E69 HydrophobicContact CB-CG 4.41Å; H66-E69 IonicContact CE1-OE1 3.77Å; H66-E69 IonicContact CG-OE1 3.46Å; H66-E69 IonicContact ND1-OE1 2.68Å; H66-E69 PolarHBondContact ND1-OE1 3.25Å; H66-E69 WeakPolarHBondContact O-CG 3.35Å; H66-S70 VanDerWaalsContact O-CB 3.26Å; H66-S70 WeakPolarHBondContact O-CB 3.36Å; H66-S70 PolarHBondContact O-N 3.06Å; H66-S70 PolarHBondContact O-OG 3Å
67F97.6Very high96.3Very high109 Ų10987.7 Ų87.748%0.47845%0.446SS..Hα-helixtrans-62-43.2-176.5-72.6-2.4000112.1L63 T64 E69 S70 I71L63-F67 HydrophobicContact CB-CE1 4.06Å; L63-F67 VanDerWaalsContact O-CD1 3.24Å; L63-F67 WeakPolarHBondContact O-CD1 3.5Å; L63-F67 WeakPolarHBondContact O-CE1 3.25Å; T64-F67 HydrophobicContact CG2-CD2 4.04Å; T64-F67 HydrophobicContact CG2-CE2 4.14Å; T64-F67 WeakPolarHBondContact O-CB 3.46Å; T64-F67 PolarHBondContact O-N 2.92Å; T64-F67 VanDerWaalsContact O-N 3.12Å; F67-E69 PolarHBondContact O-N 2.86Å; F67-S70 PolarHBondContact O-N 3.23Å; F67-I71 HydrophobicContact CB-CD1 4.29Å; F67-I71 VanDerWaalsContact O-CB 3.26Å; F67-I71 WeakPolarHBondContact O-CB 3.21Å; F67-I71 WeakPolarHBondContact O-CD1 3.31Å; F67-I71 WeakPolarHBondContact O-CG1 3.31Å; F67-I71 PolarHBondContact O-N 3.06Å
68K97.8Very high96.6Very high183 Ų18384.6 Ų84.680%0.79642%0.423SS*.Hα-helixtrans-61.3-47.2-176.9-172.5176.8-178.61790112.2H66 K72H66-K68 PolarHBondContact O-N 2.9Å; K68-K72 WeakPolarHBondContact O-CB 3.49Å; K68-K72 PolarHBondContact O-N 3.15Å; K68-K72 VanDerWaalsContact O-N 3.09Å
69E97.8Very high96.8Very high82 Ų8287.7 Ų87.738%0.38344%0.437SS..Hα-helixtrans-69.7-40.1177.961.6-178.8162.600112.3L51 H66 F67 K72 F73L51-E69 HydrophobicContact CD2-CG 4.48Å; H66-E69 HydrophobicContact CB-CG 4.41Å; H66-E69 IonicContact CE1-OE1 3.77Å; H66-E69 IonicContact CG-OE1 3.46Å; H66-E69 IonicContact ND1-OE1 2.68Å; H66-E69 PolarHBondContact ND1-OE1 3.25Å; H66-E69 WeakPolarHBondContact O-CG 3.35Å; F67-E69 PolarHBondContact O-N 2.86Å; E69-K72 PolarHBondContact O-N 3.18Å; E69-F73 WeakPolarHBondContact O-CB 3.49Å; E69-F73 PolarHBondContact O-N 3.18Å
70S98.3Very high96.9Very high19 Ų1986.3 Ų86.313%0.13342%0.417CS..Hα-helixtrans-62.7-47.2178.5-58.90000111.5I53 H66 F67 F73 I74I53-S70 WeakPolarHBondContact CD1-OG 3.47Å; H66-S70 VanDerWaalsContact O-CB 3.26Å; H66-S70 WeakPolarHBondContact O-CB 3.36Å; H66-S70 PolarHBondContact O-N 3.06Å; H66-S70 PolarHBondContact O-OG 3Å; F67-S70 PolarHBondContact O-N 3.23Å; S70-F73 PolarHBondContact O-N 3.01Å; S70-I74 VanDerWaalsContact O-CG1 3.29Å; S70-I74 WeakPolarHBondContact O-CG1 3.32Å; S70-I74 PolarHBondContact O-N 3.18Å
71I98.2Very high96.9Very high109 Ų10984.7 Ų84.756%0.55942%0.418SS*.Hα-helixtrans-61.6-46.7177.6-69.5164.4000109.7F67 F73 I74 H75F67-I71 HydrophobicContact CB-CD1 4.29Å; F67-I71 VanDerWaalsContact O-CB 3.26Å; F67-I71 WeakPolarHBondContact O-CB 3.21Å; F67-I71 WeakPolarHBondContact O-CD1 3.31Å; F67-I71 WeakPolarHBondContact O-CG1 3.31Å; F67-I71 PolarHBondContact O-N 3.06Å; I71-F73 PolarHBondContact O-N 3.17Å; I71-I74 PolarHBondContact O-N 3.28Å; I71-H75 WeakPolarHBondContact O-CB 3.43Å; I71-H75 PolarHBondContact O-N 3.19Å
72K98.3Very high97Very high123 Ų12385 Ų8554%0.53542%0.419SS..Hα-helixtrans-57.9-49.9178.5-177.8-177.5174.7-174.20111.2K68 E69 I74 H75 E76K68-K72 WeakPolarHBondContact O-CB 3.49Å; K68-K72 PolarHBondContact O-N 3.15Å; K68-K72 VanDerWaalsContact O-N 3.09Å; E69-K72 PolarHBondContact O-N 3.18Å; K72-I74 PolarHBondContact O-N 3.2Å; K72-H75 PolarHBondContact O-N 3.16Å; K72-E76 WeakPolarHBondContact CE-OE1 3.26Å; K72-E76 HydrophobicContact CG-CG 4.35Å; K72-E76 IonicContact NZ-OE1 3.15Å; K72-E76 WeakPolarHBondContact O-CB 3.17Å; K72-E76 WeakPolarHBondContact O-CG 3.27Å; K72-E76 PolarHBondContact O-N 3.38Å
73F98.4Very high97.2Very high31 Ų3181.5 Ų81.514%0.13640%0.401CS..Hα-helixtrans-59.2-48.3-179.6-178.6-98.2000112.4H33 L35 L51 E69 S70 I71 H75 C77H33-F73 HydrophobicContact CB-CE1 3.84Å; H33-F73 HydrophobicContact CB-CZ 3.81Å; H33-F73 AromaticContact CD2-CE2 3.7Å; H33-F73 AromaticContact CD2-CZ 3.58Å; L35-F73 HydrophobicContact CB-CD1 4.22Å; L35-F73 HydrophobicContact CB-CE1 4.11Å; L35-F73 HydrophobicContact CD1-CD1 4.33Å; L51-F73 HydrophobicContact CB-CD1 3.9Å; L51-F73 HydrophobicContact CB-CD2 3.77Å; L51-F73 HydrophobicContact CB-CE1 3.93Å; L51-F73 HydrophobicContact CB-CE2 3.79Å; L51-F73 HydrophobicContact CB-CG 3.81Å; L51-F73 HydrophobicContact CB-CZ 3.86Å; L51-F73 HydrophobicContact CD2-CB 3.67Å; L51-F73 HydrophobicContact CD2-CD1 4.25Å; L51-F73 HydrophobicContact CD2-CD2 4.39Å; L51-F73 HydrophobicContact CD2-CG 3.87Å; L51-F73 HydrophobicContact CG-CG 4.49Å; E69-F73 WeakPolarHBondContact O-CB 3.49Å; E69-F73 PolarHBondContact O-N 3.18Å; S70-F73 PolarHBondContact O-N 3.01Å; I71-F73 PolarHBondContact O-N 3.17Å; F73-H75 VanDerWaalsContact C-N 3.35Å; F73-H75 PolarHBondContact O-N 3.15Å; F73-C77 WeakPolarHBondContact O-CB 3.35Å; F73-C77 PolarHBondContact O-N 2.83Å
74I98.3Very high97.3Very high31 Ų3177.9 Ų77.916%0.15938%0.383CS..Hα-helixtrans-64.1-42.1177-66.6164.7000110.8L12 L35 S70 I71 K72 R78 V86L12-I74 HydrophobicContact CD1-CD1 4.35Å; L12-I74 HydrophobicContact CD1-CG1 4.42Å; L12-I74 HydrophobicContact CD1-CG2 3.85Å; L12-I74 HydrophobicContact CD2-CG2 4.38Å; L35-I74 HydrophobicContact CD1-CD1 4.01Å; L35-I74 HydrophobicContact CD1-CG1 4.16Å; S70-I74 VanDerWaalsContact O-CG1 3.29Å; S70-I74 WeakPolarHBondContact O-CG1 3.32Å; S70-I74 PolarHBondContact O-N 3.18Å; I71-I74 PolarHBondContact O-N 3.28Å; K72-I74 PolarHBondContact O-N 3.2Å; I74-R78 HydrophobicContact CG2-CG 4.46Å; I74-R78 VanDerWaalsContact O-CG 3.29Å; I74-R78 WeakPolarHBondContact O-CG 3.46Å; I74-R78 PolarHBondContact O-N 3.26Å; I74-R78 VanDerWaalsContact O-N 3.08Å; I74-V86 HydrophobicContact CD1-CG2 3.9Å; I74-V86 HydrophobicContact CG1-CG2 4.42Å
75H97.8Very high97.3Very high100 Ų10073.4 Ų73.446%0.46336%0.355SS..Hα-helixtrans-68.6-45.6-175.2-168.468.1000112.3I71 K72 F73 C77 R78 L79I71-H75 WeakPolarHBondContact O-CB 3.43Å; I71-H75 PolarHBondContact O-N 3.19Å; K72-H75 PolarHBondContact O-N 3.16Å; F73-H75 VanDerWaalsContact C-N 3.35Å; F73-H75 PolarHBondContact O-N 3.15Å; H75-C77 VanDerWaalsContact C-N 3.35Å; H75-C77 PolarHBondContact O-N 3.12Å; H75-R78 PolarHBondContact O-N 3.19Å; H75-L79 WeakPolarHBondContact O-CG 3.38Å; H75-L79 PolarHBondContact O-N 2.74Å
76E97.6Very high97.4Very high93 Ų9367 Ų6744%0.43533%0.333SS..Hα-helixtrans-61.5-42.8177.1-72.4176.6167.400111.6K72 R78 L79 Q80K72-E76 WeakPolarHBondContact CE-OE1 3.26Å; K72-E76 HydrophobicContact CG-CG 4.35Å; K72-E76 IonicContact NZ-OE1 3.15Å; K72-E76 WeakPolarHBondContact O-CB 3.17Å; K72-E76 WeakPolarHBondContact O-CG 3.27Å; K72-E76 PolarHBondContact O-N 3.38Å; E76-R78 PolarHBondContact O-N 3.14Å; E76-L79 PolarHBondContact O-N 3.43Å; E76-Q80 WeakPolarHBondContact O-CG 3.31Å; E76-Q80 PolarHBondContact O-N 3.06Å
77C97.2Very high97.3Very high0 Ų066 Ų660%033%0.329CS..Hα-helixtrans-56.4-50.2173.5171.60000111.7H33 F73 H75 L79 Q80 E82 C84H33-C77 HydrophobicContact CB-CB 4.18Å; H33-C77 PolarHBondContact ND1-SG 3.14Å; H33-C77 VanDerWaalsContact ND1-SG 3.36Å; F73-C77 WeakPolarHBondContact O-CB 3.35Å; F73-C77 PolarHBondContact O-N 2.83Å; H75-C77 VanDerWaalsContact C-N 3.35Å; H75-C77 PolarHBondContact O-N 3.12Å; C77-L79 PolarHBondContact O-N 3.07Å; C77-Q80 PolarHBondContact O-N 3.46Å; C77-E82 PolarHBondContact O-N 3.1Å; C77-C84 HydrophobicContact CB-CB 4.33Å
78R96.9Very high97.1Very high90 Ų9066 Ų6634%0.3433%0.326SS..Hα-helixtrans-67.4-34.6-177.9-70177.371.1-133.5-5.5113.1P10 I74 H75 E76 Q80 G81P10-R78 PolarHBondContact O-NE 2.92Å; P10-R78 PolarHBondContact O-NH2 3.49Å; I74-R78 HydrophobicContact CG2-CG 4.46Å; I74-R78 VanDerWaalsContact O-CG 3.29Å; I74-R78 WeakPolarHBondContact O-CG 3.46Å; I74-R78 PolarHBondContact O-N 3.26Å; I74-R78 VanDerWaalsContact O-N 3.08Å; H75-R78 PolarHBondContact O-N 3.19Å; E76-R78 PolarHBondContact O-N 3.14Å; R78-Q80 PolarHBondContact O-N 2.95Å; R78-G81 PolarHBondContact O-N 2.84Å; R78-G81 VanDerWaalsContact O-N 3.1Å
79L96.8Very high96.4Very high128 Ų12861.9 Ų61.967%0.6731%0.306SS*.Hα-helixtrans-65.5-27.3175.3-75.2178.3000112.6H75 E76 C77 G81H75-L79 WeakPolarHBondContact O-CG 3.38Å; H75-L79 PolarHBondContact O-N 2.74Å; E76-L79 PolarHBondContact O-N 3.43Å; C77-L79 PolarHBondContact O-N 3.07Å; L79-G81 PolarHBondContact O-N 2.8Å
80Q95.4Very high94.6Very high116 Ų11663.9 Ų63.954%0.54232%0.324SS..THydrogen-bonded Turntrans-79.7-0.1174.7-67.8175.6-2.700112.9E76 C77 R78 E82E76-Q80 WeakPolarHBondContact O-CG 3.31Å; E76-Q80 PolarHBondContact O-N 3.06Å; C77-Q80 PolarHBondContact O-N 3.46Å; R78-Q80 PolarHBondContact O-N 2.95Å; Q80-E82 HydrophobicContact CB-CG 4Å; Q80-E82 PolarHBondContact O-N 2.9Å; Q80-E82 PolarHBondContact OE1-OE1 3Å
81G94.3Very high94.4Very high73 Ų7366.1 Ų66.175%0.75333%0.333SS*.THydrogen-bonded Turntrans73.316.2-174.700000113.3R78 L79R78-G81 PolarHBondContact O-N 2.84Å; R78-G81 VanDerWaalsContact O-N 3.1Å; L79-G81 PolarHBondContact O-N 2.8Å
82E96.1Very high94.2Very high55 Ų5563.8 Ų63.826%0.25732%0.321SS..  trans-95.3170.3179.2-58.7-175.6-166.200111.4T32 H33 C77 Q80T32-E82 WeakPolarHBondContact CB-OE2 3.32Å; T32-E82 WeakPolarHBondContact OG1-CB 3.42Å; T32-E82 PolarHBondContact OG1-OE2 3.27Å; H33-E82 IonicContact CE1-OE2 3.78Å; H33-E82 PolarHBondContact CE1-OE2 3.45Å; H33-E82 IonicContact ND1-OE2 3.93Å; H33-E82 PolarHBondContact ND1-OE2 3.48Å; H33-E82 VanDerWaalsContact ND1-OE2 3.15Å; C77-E82 PolarHBondContact O-N 3.1Å; Q80-E82 HydrophobicContact CB-CG 4Å; Q80-E82 PolarHBondContact O-N 2.9Å; Q80-E82 PolarHBondContact OE1-OE1 3Å
83S97.8Very high94Very high13 Ų1360.6 Ų60.69%0.09131%0.309CS..EExtended strand (participates in β ladder)trans-110.8136.1178.9-62.80000112.4G11 N29 K30 V31 T32 H33G11-S83 WeakPolarHBondContact O-CA 3.26Å; N29-S83 WeakPolarHBondContact O-CB 3.17Å; N29-S83 PolarHBondContact O-OG 3.21Å; K30-S83 WeakPolarHBondContact O-CB 3.32Å; V31-S83 WeakPolarHBondContact CA-O 3.21Å; T32-S83 PolarHBondContact N-O 3.06Å; T32-S83 VanDerWaalsContact N-O 3.08Å; H33-S83 PolarHBondContact N-O 3.29Å
84C98.2Very high93.8Very high0 Ų062.3 Ų62.30%032%0.32CS..EExtended strand (participates in β ladder)trans-109.8133.3174.2-1720000111.2G11 L12 Y13 H33 C77G11-C84 PolarHBondContact O-N 3.05Å; L12-C84 WeakPolarHBondContact CA-O 3.4Å; L12-C84 HydrophobicContact CD1-CB 4.42Å; Y13-C84 PolarHBondContact N-O 3.26Å; H33-C84 HydrophobicContact CB-CB 4.15Å; H33-C84 CarbonylContact O-C 3.58Å; H33-C84 WeakPolarHBondContact O-CA 3.26Å; C77-C84 HydrophobicContact CB-CB 4.33Å
85L97.9Very high93.5Very high0 Ų064.3 Ų64.30%033%0.33CS..EExtended strand (participates in β ladder)trans-103.6128.5168.4173.667.3000109.9M5 A20 L26 V31 H33 I34 L35M5-L85 HydrophobicContact CB-CD1 3.97Å; M5-L85 HydrophobicContact CE-CD1 4.44Å; M5-L85 HydrophobicContact CE-CD2 3.98Å; M5-L85 HydrophobicContact SD-CD1 4.28Å; A20-L85 HydrophobicContact CB-CD2 4Å; L26-L85 HydrophobicContact CD2-CD2 3.82Å; V31-L85 HydrophobicContact CG1-CB 3.71Å; V31-L85 HydrophobicContact CG2-CB 4.38Å; H33-L85 PolarHBondContact O-N 3.35Å; I34-L85 CarbonylContact C-O 3.58Å; I34-L85 WeakPolarHBondContact CA-O 3.44Å; I34-L85 HydrophobicContact CG1-CB 4.32Å; L35-L85 PolarHBondContact N-O 3.44Å
86V97.6Very high93.2Very high27 Ų2761.9 Ų61.916%0.16432%0.321CS..EExtended strand (participates in β ladder)trans-103.9128169.5-177.50000108.4L12 Y13 I14 G15 L35 I74L12-V86 HydrophobicContact CD1-CG2 3.93Å; Y13-V86 PolarHBondContact O-N 3.22Å; I14-V86 WeakPolarHBondContact CA-O 3.11Å; G15-V86 PolarHBondContact N-O 3.17Å; L35-V86 HydrophobicContact CB-CG2 4.19Å; L35-V86 HydrophobicContact CD2-CG1 4.32Å; L35-V86 WeakPolarHBondContact O-CA 3.43Å; I74-V86 HydrophobicContact CD1-CG2 3.9Å; I74-V86 HydrophobicContact CG1-CG2 4.42Å
87H95.3Very high92.9Very high4 Ų459.6 Ų59.62%0.01931%0.313CS..EExtended strand (participates in β ladder)trans-143.3158.6177.782.294.1000113.1G15 A20 I34 L35 S36 V37 H38G15-H87 VanDerWaalsContact O-CA 3.31Å; G15-H87 WeakPolarHBondContact O-CA 3.44Å; G15-H87 WeakPolarHBondContact O-CB 3.26Å; A20-H87 HydrophobicContact CB-CB 4.32Å; A20-H87 VanDerWaalsContact CB-CD2 3.47Å; A20-H87 WeakPolarHBondContact CB-CD2 3.36Å; I34-H87 VanDerWaalsContact CG2-CD2 3.49Å; I34-H87 WeakPolarHBondContact CG2-CD2 3.34Å; L35-H87 PolarHBondContact O-N 3.4Å; S36-H87 VanDerWaalsContact CB-NE2 3.35Å; S36-H87 WeakPolarHBondContact CB-NE2 3.35Å; S36-H87 PolarHBondContact OG-NE2 3.47Å; V37-H87 PolarHBondContact N-O 3.32Å; H38-H87 AromaticContact CD2-CE1 3.78Å; H38-H87 AromaticContact NE2-CE1 3.58Å
88W92.5Very high92.5Very high108 Ų10864.2 Ų64.241%0.40934%0.337SS..EExtended strand (participates in β ladder)trans-138.9178.2173.161.5104.9000110.2I14 F17 V37I14-W88 HydrophobicContact CG2-CH2 3.47Å; I14-W88 VanDerWaalsContact CG2-CH2 3.47Å; I14-W88 HydrophobicContact CG2-CZ3 3.5Å; I14-W88 VanDerWaalsContact CG2-CZ3 3.5Å; F17-W88 PolarHBondContact N-O 3.49Å; V37-W88 VanDerWaalsContact O-CA 3.31Å; V37-W88 WeakPolarHBondContact O-CA 3.36Å; V37-W88 WeakPolarHBondContact O-CB 3.29Å
89Y83.9Confident92.2Very high97 Ų9762.1 Ų62.138%0.3834%0.336SS..  trans-77.9127.9168.1-80.8-56.7000109.7F17 H38 T40F17-Y89 HydrophobicContact CB-CD1 3.86Å; F17-Y89 HydrophobicContact CB-CE1 3.89Å; F17-Y89 AromaticContact CD1-CE1 3.97Å; F17-Y89 HydrophobicContact CD1-CE1 3.97Å; F17-Y89 HydrophobicContact CD2-CD1 4.31Å; F17-Y89 AromaticContact CD2-CE1 3.56Å; F17-Y89 HydrophobicContact CD2-CE1 3.56Å; F17-Y89 HydrophobicContact CE1-CE1 4.39Å; F17-Y89 HydrophobicContact CE2-CE1 4.03Å; F17-Y89 HydrophobicContact CG-CD1 4.05Å; F17-Y89 AromaticContact CG-CE1 3.52Å; F17-Y89 HydrophobicContact CG-CE1 3.52Å; F17-Y89 HydrophobicContact CZ-CE1 4.41Å; H38-Y89 HydrophobicContact CB-CD2 3.35Å; H38-Y89 HydrophobicContact CB-CE2 3.72Å; H38-Y89 HydrophobicContact CB-CG 4.19Å; H38-Y89 AromaticContact CE1-CE2 3.79Å; H38-Y89 AromaticContact CE1-CZ 3.92Å; H38-Y89 AromaticContact CG-CD2 3.66Å; H38-Y89 AromaticContact CG-CE2 3.52Å; H38-Y89 AromaticContact ND1-CD2 3.73Å; H38-Y89 AromaticContact ND1-CE2 3.08Å; H38-Y89 WeakPolarHBondContact ND1-CE2 3.42Å; H38-Y89 AromaticContact ND1-CZ 3.68Å; T40-Y89 WeakPolarHBondContact OG1-CE2 3.08Å; T40-Y89 PolarHBondContact OG1-OH 3.12Å
90V60.2Low91.8Very high124 Ų12456.1 Ų56.175%0.75231%0.306SS*.  trans-97.20164.7-166.60000108.3M1 N16M1-V90 HydrophobicContact CE-CB 3.83Å; M1-V90 HydrophobicContact CE-CG1 3.5Å; M1-V90 HydrophobicContact CG-CB 4.49Å; M1-V90 HydrophobicContact CG-CG1 3.93Å; M1-V90 HydrophobicContact SD-CG1 4.4Å; N16-V90 HydrophobicContact CB-CG2 3.85Å

Retrieved 90 of 90 residues in 125.1 ms (Link to these results)

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