A0A087YQE8_POEFO Loading...

Pleckstrin homology-like domain, family A, member 3

AlphaFold DB , UniProt , Accession A0A087YQE8, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 140 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
1M35.2Very low76Confident236 Ų236102.1 Ų102.1100%1.16355%0.549SS*.  0122.10-62.8-172-178.300107.3
2S47.8Very low77.4Confident118 Ų118100.3 Ų100.383%0.82554%0.538SS*.PPolyproline II helixtrans-77.1122.6178.7-177.30000108.5
3F46.9Very low78.7Confident183 Ų18392.8 Ų92.880%0.80350%0.498SS*.PPolyproline II helixtrans-63.1141.2173.3-67.4-83.8000109.4V5F3-V5 PolarHBondContact O-N 2.89Å; F3-V5 VanDerWaalsContact O-N 3.16Å
4P65.8Low79.9Confident122 Ų12289.4 Ų89.479%0.79248%0.477SS*.PPolyproline II helixtrans-60.6123178.423.6-31.3000109.7K6P4-K6 PolarHBondContact O-N 3.18Å
5V79.4Confident80.9Confident49 Ų4985.8 Ų85.830%0.29746%0.456SS..PPolyproline II helixtrans-60.8122.8178.5178.30000108.8F3 V7 T32F3-V5 PolarHBondContact O-N 2.89Å; F3-V5 VanDerWaalsContact O-N 3.16Å; V5-V7 PolarHBondContact O-N 2.98Å; V5-T32 HydrophobicContact CG1-CG2 3.69Å
6K90.6Very high81.9Confident129 Ų12985.9 Ų85.956%0.56145%0.448SS*.PPolyproline II helixtrans-65.6121.4-179.3179.1167.6154.8-1430110.9P4 T32 E33P4-K6 PolarHBondContact O-N 3.18Å; K6-T32 WeakPolarHBondContact O-CA 3.4Å; K6-E33 HydrophobicContact CB-CG 4.39Å; K6-E33 VanDerWaalsContact CD-OE1 3.31Å; K6-E33 WeakPolarHBondContact CD-OE1 3.43Å; K6-E33 WeakPolarHBondContact CE-OE1 3.44Å; K6-E33 IonicContact NZ-OE1 2.83Å; K6-E33 PolarHBondContact NZ-OE1 3.07Å
7V94.4Very high82.5Confident82 Ų8282.1 Ų82.150%0.49743%0.43SS..EExtended strand (participates in β ladder)trans-83.4124.5175.3177.50000108.7V5 V30V5-V7 PolarHBondContact O-N 2.98Å; V7-V30 HydrophobicContact CG1-CG1 3.84Å; V7-V30 HydrophobicContact CG2-CG1 3.96Å
8I95.1Very high82.8Confident54 Ų5484.1 Ų84.128%0.27745%0.452SS..EExtended strand (participates in β ladder)trans-88.7-42.5175.2-59.7174.2000109.5L31 E33 A108I8-L31 HydrophobicContact CB-CB 4.42Å; I8-L31 HydrophobicContact CB-CD2 4.2Å; I8-L31 HydrophobicContact CB-CG 4.1Å; I8-L31 HydrophobicContact CD1-CG 4.4Å; I8-L31 HydrophobicContact CG2-CD2 3.99Å; I8-L31 HydrophobicContact CG2-CG 4.45Å; I8-L31 PolarHBondContact N-O 3.44Å; I8-E33 HydrophobicContact CD1-CG 4.06Å; I8-E33 HydrophobicContact CG1-CG 4.33Å; I8-A108 HydrophobicContact CD1-CB 3.74Å
9R94.3Very high83.1Confident55 Ų5581.6 Ų81.621%0.20845%0.448CS..EExtended strand (participates in β ladder)trans-152146.2178.6-175.9162.9-173.9123.89.6111.9V30 L31 G98 W101 E104R9-V30 CarbonylContact O-C 3.59Å; R9-V30 WeakPolarHBondContact O-CA 3.49Å; R9-L31 HydrophobicContact CB-CB 4.11Å; R9-L31 PolarHBondContact N-O 3.34Å; R9-L31 PolarHBondContact O-N 3.33Å; R9-G98 PolarHBondContact NH2-O 2.75Å; R9-W101 HydrophobicContact CB-CH2 4.28Å; R9-W101 HydrophobicContact CB-CZ3 4.35Å; R9-W101 HydrophobicContact CG-CH2 3.76Å; R9-W101 HydrophobicContact CG-CZ2 3.95Å; R9-W101 HydrophobicContact CG-CZ3 4.14Å; R9-E104 WeakPolarHBondContact CD-OE2 3.27Å; R9-E104 IonicContact CZ-OE2 3.77Å; R9-E104 IonicContact NE-OE2 3.47Å; R9-E104 PolarHBondContact NE-OE2 3.13Å; R9-E104 VanDerWaalsContact NH1-CD 3.34Å; R9-E104 IonicContact NH1-OE1 3.34Å; R9-E104 PolarHBondContact NH1-OE1 3.34Å; R9-E104 IonicContact NH1-OE2 2.69Å; R9-E104 PolarHBondContact NH1-OE2 2.98Å
10D93.8Very high83.3Confident74 Ų7486.1 Ų86.140%0.39647%0.471SS..EExtended strand (participates in β ladder)trans-129.5138.3168.4-170.7-13.6000108.5R28 C29D10-R28 IonicContact OD1-CZ 2.91Å; D10-R28 IonicContact OD1-NE 3.38Å; D10-R28 PolarHBondContact OD1-NE 2.98Å; D10-R28 IonicContact OD1-NH2 3.86Å; D10-R28 IonicContact OD2-CZ 3.85Å; D10-R28 IonicContact OD2-NE 2.63Å; D10-R28 PolarHBondContact OD2-NE 3.35Å; D10-R28 IonicContact OD2-NH2 3Å; D10-R28 PolarHBondContact OD2-NH2 3.05Å; D10-C29 WeakPolarHBondContact CA-O 3.35Å
11G92.9Very high83.7Confident21 Ų2188.3 Ų88.322%0.21648%0.481CS..EExtended strand (participates in β ladder)trans168.8-161.7176.600000113.2R28 C29G11-R28 CarbonylContact O-C 3.49Å; G11-R28 WeakPolarHBondContact O-CA 3.37Å; G11-C29 PolarHBondContact N-O 3.46Å; G11-C29 PolarHBondContact O-N 3.3Å
12L92.9Very high86.5Confident81 Ų8180.8 Ų80.842%0.42444%0.443SS..EExtended strand (participates in β ladder)trans-104139.8-175.9-63.6172.7000111.5K26 K27 R28 W53 W101L12-K26 HydrophobicContact CB-CG 4.44Å; L12-K26 HydrophobicContact CD1-CD 3.92Å; L12-K26 HydrophobicContact CD2-CD 4.18Å; L12-K26 HydrophobicContact CD2-CG 3.99Å; L12-K26 HydrophobicContact CG-CD 4.47Å; L12-K27 WeakPolarHBondContact CA-O 3.42Å; L12-R28 HydrophobicContact CD2-CB 4.43Å; L12-W53 HydrophobicContact CD2-CH2 3.74Å; L12-W53 HydrophobicContact CD2-CZ2 3.81Å; L12-W101 PolarHBondContact O-NE1 2.77Å; L12-W101 VanDerWaalsContact O-NE1 3.13Å
13L94.3Very high88.7Confident3 Ų379.5 Ų79.52%0.01643%0.427CS..EExtended strand (participates in β ladder)trans-143.4144.1173.9-162.261000109.1K27 C29 F80 F92 C94 W101L13-K27 PolarHBondContact N-O 3.24Å; L13-K27 PolarHBondContact O-N 3.24Å; L13-C29 HydrophobicContact CB-CB 4.23Å; L13-C29 WeakPolarHBondContact CB-SG 3.12Å; L13-F80 HydrophobicContact CD1-CE1 3.95Å; L13-F80 HydrophobicContact CD1-CZ 3.97Å; L13-F80 HydrophobicContact CD2-CZ 3.75Å; L13-F80 HydrophobicContact CG-CZ 4.38Å; L13-F92 HydrophobicContact CD1-CB 4.44Å; L13-F92 HydrophobicContact CD2-CB 3.93Å; L13-F92 HydrophobicContact CD2-CD1 3.3Å; L13-F92 HydrophobicContact CD2-CE1 3.86Å; L13-F92 HydrophobicContact CD2-CG 3.71Å; L13-F92 HydrophobicContact CG-CB 4.07Å; L13-F92 HydrophobicContact CG-CD1 3.7Å; L13-F92 HydrophobicContact CG-CG 4.22Å; L13-C94 HydrophobicContact CD1-CB 3.68Å; L13-W101 HydrophobicContact CD1-CB 3.96Å; L13-W101 HydrophobicContact CD1-CD2 4.33Å; L13-W101 HydrophobicContact CD1-CG 3.74Å; L13-W101 HydrophobicContact CD2-CD2 4.43Å; L13-W101 HydrophobicContact CD2-CG 4.49Å
14E94.9Very high91Very high45 Ų4574 Ų7421%0.2140%0.4CS..EExtended strand (participates in β ladder)trans-96128.8174.4-57-164.213400110.1W24 K25 F92 R93E14-W24 HydrophobicContact CB-CB 4.33Å; E14-W24 HydrophobicContact CB-CE3 4.24Å; E14-K25 WeakPolarHBondContact CA-O 3.28Å; E14-F92 CarbonylContact O-C 3.6Å; E14-F92 WeakPolarHBondContact O-CA 3.33Å; E14-R93 HydrophobicContact CB-CG 3.9Å; E14-R93 WeakPolarHBondContact CB-O 3.34Å; E14-R93 PolarHBondContact N-O 3.12Å; E14-R93 PolarHBondContact O-N 3.47Å; E14-R93 IonicContact OE2-CZ 2.66Å; E14-R93 IonicContact OE2-NE 2.9Å; E14-R93 PolarHBondContact OE2-NE 3.3Å; E14-R93 IonicContact OE2-NH2 3.3Å; E14-R93 PolarHBondContact OE2-NH2 3.27Å
15K95.8Very high92.3Very high35 Ų3573.2 Ų73.215%0.15239%0.385CS..EExtended strand (participates in β ladder)trans-107.8132.2177.8-167.2-163.590.6680110.3K25 K27 L38 I90 F92K15-K25 PolarHBondContact N-O 3.06Å; K15-K25 PolarHBondContact O-N 3.46Å; K15-K27 HydrophobicContact CB-CG 4.22Å; K15-L38 HydrophobicContact CD-CD1 3.89Å; K15-I90 HydrophobicContact CD-CG2 3.91Å; K15-I90 HydrophobicContact CG-CG2 3.77Å; K15-F92 HydrophobicContact CB-CD1 3.96Å; K15-F92 HydrophobicContact CB-CE1 3.8Å; K15-F92 HydrophobicContact CD-CE1 4.26Å; K15-F92 HydrophobicContact CD-CZ 4.46Å; K15-F92 HydrophobicContact CG-CD1 4.03Å; K15-F92 HydrophobicContact CG-CE1 3.61Å; K15-F92 HydrophobicContact CG-CZ 4.06Å
16R96Very high93Very high88 Ų8876.6 Ų76.633%0.33240%0.396SS..EExtended strand (participates in β ladder)trans-68132.2172-167.5158.470.1155.8-0.3110.6Q22 L23 W24 D91R16-Q22 HydrophobicContact CG-CB 4.48Å; R16-L23 CarbonylContact C-O 3.55Å; R16-W24 HydrophobicContact CB-CD2 4.3Å; R16-W24 HydrophobicContact CB-CE3 3.91Å; R16-W24 HydrophobicContact CB-CH2 3.89Å; R16-W24 HydrophobicContact CB-CZ2 4.26Å; R16-W24 HydrophobicContact CB-CZ3 3.69Å; R16-W24 HydrophobicContact CG-CZ2 4.45Å; R16-D91 HydrophobicContact CB-CB 3.95Å; R16-D91 IonicContact CZ-OD2 2.7Å; R16-D91 PolarHBondContact N-O 3.03Å; R16-D91 IonicContact NE-OD2 3.63Å; R16-D91 PolarHBondContact NE-OD2 3.46Å; R16-D91 VanDerWaalsContact NH2-CG 3.28Å; R16-D91 IonicContact NH2-OD1 2.75Å; R16-D91 IonicContact NH2-OD2 2.85Å; R16-D91 PolarHBondContact NH2-OD2 3.29Å
17S93.1Very high93.1Very high21 Ų2171.7 Ų71.715%0.14737%0.374CS..  trans-76145.917574.50000110.7G19 Q22 L23S17-G19 PolarHBondContact O-N 3.45Å; S17-Q22 PolarHBondContact O-NE2 3.19Å; S17-Q22 PolarHBondContact O-OE1 3.17Å; S17-L23 PolarHBondContact N-O 2.65Å; S17-L23 PolarHBondContact OG-N 3Å; S17-L23 VanDerWaalsContact OG-N 3.07Å; S17-L23 PolarHBondContact OG-O 3.1Å
18S87.8Confident93.1Very high118 Ų11871.9 Ų71.983%0.82537%0.366SS*.SBendtrans-83.411.4176.357.90000113.8
19G87.6Confident93Very high36 Ų3669.3 Ų69.337%0.37135%0.353SS..SBendtrans-90.4173.1-179.900000112.1S17 L21 Q22S17-G19 PolarHBondContact O-N 3.45Å; G19-L21 PolarHBondContact O-N 3.42Å; G19-L21 VanDerWaalsContact O-N 3.12Å; G19-Q22 PolarHBondContact O-N 2.99Å; G19-Q22 PolarHBondContact O-NE2 3.43Å
20L88.5Confident93.1Very high172 Ų17267.5 Ų67.590%0.90135%0.348SS*.THydrogen-bonded Turntrans-51.5-38.9-177.3-176.662.3000113.8Q22L20-Q22 VanDerWaalsContact C-N 3.32Å; L20-Q22 PolarHBondContact O-N 3.13Å
21L91.7Very high93.2Very high132 Ų13264 Ų6469%0.69133%0.329SS*.THydrogen-bonded Turntrans-79.3-8.9-176.7-60178.6000114.6G19 L23G19-L21 PolarHBondContact O-N 3.42Å; G19-L21 VanDerWaalsContact O-N 3.12Å; L21-L23 HydrophobicContact CB-CD1 4.14Å; L21-L23 HydrophobicContact CB-CD2 4.19Å; L21-L23 HydrophobicContact CB-CG 3.75Å; L21-L23 HydrophobicContact CD1-CD1 4.22Å; L21-L23 PolarHBondContact O-N 3.36Å
22Q92.5Very high93.4Very high79 Ų7963 Ų6337%0.36932%0.319SS..  trans47.836.9175.9-64.6-66.8-44.900114.7R16 S17 G19 L20R16-Q22 HydrophobicContact CG-CB 4.48Å; S17-Q22 PolarHBondContact O-NE2 3.19Å; S17-Q22 PolarHBondContact O-OE1 3.17Å; G19-Q22 PolarHBondContact O-N 2.99Å; G19-Q22 PolarHBondContact O-NE2 3.43Å; L20-Q22 VanDerWaalsContact C-N 3.32Å; L20-Q22 PolarHBondContact O-N 3.13Å
23L95.1Very high93.5Very high91 Ų9163 Ų6348%0.47632%0.317SS..  trans-72.3145.2-174.4-60.3174.8000112.7R16 S17 L21R16-L23 CarbonylContact C-O 3.55Å; S17-L23 PolarHBondContact N-O 2.65Å; S17-L23 PolarHBondContact OG-N 3Å; S17-L23 VanDerWaalsContact OG-N 3.07Å; S17-L23 PolarHBondContact OG-O 3.1Å; L21-L23 HydrophobicContact CB-CD1 4.14Å; L21-L23 HydrophobicContact CB-CD2 4.19Å; L21-L23 HydrophobicContact CB-CG 3.75Å; L21-L23 HydrophobicContact CD1-CD1 4.22Å; L21-L23 PolarHBondContact O-N 3.36Å
24W94.6Very high93.6Very high66 Ų6666.4 Ų66.425%0.2533%0.332CS..EExtended strand (participates in β ladder)trans-84.2125.2170.9-64.397.9000110.6E14 R16 Y79 D91 F92 R93E14-W24 HydrophobicContact CB-CB 4.33Å; E14-W24 HydrophobicContact CB-CE3 4.24Å; R16-W24 HydrophobicContact CB-CD2 4.3Å; R16-W24 HydrophobicContact CB-CE3 3.91Å; R16-W24 HydrophobicContact CB-CH2 3.89Å; R16-W24 HydrophobicContact CB-CZ2 4.26Å; R16-W24 HydrophobicContact CB-CZ3 3.69Å; R16-W24 HydrophobicContact CG-CZ2 4.45Å; W24-Y79 HydrophobicContact CH2-CD1 4.03Å; W24-Y79 HydrophobicContact CH2-CE1 4.36Å; W24-Y79 AromaticContact CZ2-CD1 3.93Å; W24-Y79 HydrophobicContact CZ2-CD1 3.93Å; W24-Y79 AromaticContact CZ2-CE1 3.86Å; W24-Y79 HydrophobicContact CZ2-CE1 3.86Å; W24-D91 HydrophobicContact CH2-CB 3.9Å; W24-D91 HydrophobicContact CZ3-CB 4.3Å; W24-F92 VanDerWaalsContact CZ3-C 3.48Å; W24-R93 HydrophobicContact CD2-CG 3.92Å; W24-R93 HydrophobicContact CE3-CB 4.38Å; W24-R93 HydrophobicContact CE3-CG 3.6Å; W24-R93 VanDerWaalsContact CG-NE 3.32Å; W24-R93 HydrophobicContact CH2-CB 4.21Å; W24-R93 HydrophobicContact CH2-CG 4.19Å; W24-R93 HydrophobicContact CZ2-CG 4.49Å; W24-R93 HydrophobicContact CZ3-CB 4.02Å; W24-R93 HydrophobicContact CZ3-CG 3.75Å
25K93.6Very high93.7Very high107 Ų10764.2 Ų64.247%0.46532%0.322SS..EExtended strand (participates in β ladder)trans-120.3121.6-179.7-63.1-173.2-179.9-1740110.2E14 K15 K27E14-K25 WeakPolarHBondContact CA-O 3.28Å; K15-K25 PolarHBondContact N-O 3.06Å; K15-K25 PolarHBondContact O-N 3.46Å; K25-K27 PolarHBondContact O-N 3.48Å
26K93Very high93.8Very high120 Ų12062.6 Ų62.652%0.52232%0.315SS..EExtended strand (participates in β ladder)trans-60.2131.4172.4-175.6172-86.3-178.20110.6L12L12-K26 HydrophobicContact CB-CG 4.44Å; L12-K26 HydrophobicContact CD1-CD 3.92Å; L12-K26 HydrophobicContact CD2-CD 4.18Å; L12-K26 HydrophobicContact CD2-CG 3.99Å; L12-K26 HydrophobicContact CG-CD 4.47Å
27K93.3Very high93.8Very high26 Ų2662.3 Ų62.311%0.11331%0.314CS..EExtended strand (participates in β ladder)trans-127.4144.1176.7-59.5-60.5177-172.50108.4L12 L13 K15 K25 L39 S40L12-K27 WeakPolarHBondContact CA-O 3.42Å; L13-K27 PolarHBondContact N-O 3.24Å; L13-K27 PolarHBondContact O-N 3.24Å; K15-K27 HydrophobicContact CB-CG 4.22Å; K25-K27 PolarHBondContact O-N 3.48Å; K27-L39 WeakPolarHBondContact CA-O 3.38Å; K27-S40 PolarHBondContact NZ-OG 3.41Å
28R94.1Very high93.8Very high85 Ų8561.6 Ų61.632%0.32131%0.309SS..EExtended strand (participates in β ladder)trans-78.6125.1157.9-179.2-178.8177.6-168.32.6107.2D10 G11 L12 L39 W53D10-R28 IonicContact OD1-CZ 2.91Å; D10-R28 IonicContact OD1-NE 3.38Å; D10-R28 PolarHBondContact OD1-NE 2.98Å; D10-R28 IonicContact OD1-NH2 3.86Å; D10-R28 IonicContact OD2-CZ 3.85Å; D10-R28 IonicContact OD2-NE 2.63Å; D10-R28 PolarHBondContact OD2-NE 3.35Å; D10-R28 IonicContact OD2-NH2 3Å; D10-R28 PolarHBondContact OD2-NH2 3.05Å; G11-R28 CarbonylContact O-C 3.49Å; G11-R28 WeakPolarHBondContact O-CA 3.37Å; L12-R28 HydrophobicContact CD2-CB 4.43Å; R28-L39 HydrophobicContact CB-CB 4.29Å; R28-L39 PolarHBondContact N-O 3.42Å; R28-L39 VanDerWaalsContact N-O 3.13Å; R28-L39 PolarHBondContact O-N 3.01Å; R28-W53 HydrophobicContact CB-CD2 3.73Å; R28-W53 HydrophobicContact CB-CE3 3.81Å; R28-W53 HydrophobicContact CB-CG 4.37Å; R28-W53 HydrophobicContact CB-CH2 4.03Å; R28-W53 HydrophobicContact CB-CZ2 3.94Å; R28-W53 HydrophobicContact CB-CZ3 3.96Å
29C94.6Very high94.1Very high0 Ų057.5 Ų57.50%028%0.277CS..EExtended strand (participates in β ladder)trans-114.8133.7-176.2-72.50000108.9D10 G11 L13 L36 R37 L38 W101D10-C29 WeakPolarHBondContact CA-O 3.35Å; G11-C29 PolarHBondContact N-O 3.46Å; G11-C29 PolarHBondContact O-N 3.3Å; L13-C29 HydrophobicContact CB-CB 4.23Å; L13-C29 WeakPolarHBondContact CB-SG 3.12Å; C29-L36 HydrophobicContact CB-CD1 4.04Å; C29-R37 CarbonylContact C-O 3.59Å; C29-R37 VanDerWaalsContact CA-O 3.27Å; C29-R37 WeakPolarHBondContact CA-O 3.27Å; C29-L38 WeakPolarHBondContact SG-CD2 3.48Å; C29-W101 HydrophobicContact CB-CH2 3.51Å; C29-W101 HydrophobicContact CB-CZ2 3.97Å; C29-W101 HydrophobicContact CB-CZ3 3.94Å; C29-W101 WeakPolarHBondContact O-CH2 3.38Å
30V95.3Very high94Very high18 Ų1857.7 Ų57.711%0.10927%0.273CS..EExtended strand (participates in β ladder)trans-123.4111.5174.3-174.80000107.8V7 R9 T32 R37 L39V7-V30 HydrophobicContact CG1-CG1 3.84Å; V7-V30 HydrophobicContact CG2-CG1 3.96Å; R9-V30 CarbonylContact O-C 3.59Å; R9-V30 WeakPolarHBondContact O-CA 3.49Å; V30-T32 HydrophobicContact CG1-CG2 4.23Å; V30-R37 HydrophobicContact CB-CB 4.42Å; V30-R37 PolarHBondContact N-O 3.44Å; V30-R37 PolarHBondContact O-N 2.98Å; V30-L39 HydrophobicContact CG2-CD1 4.14Å
31L96.9Very high93.7Very high0 Ų057.1 Ų57.10%026%0.26CS..EExtended strand (participates in β ladder)trans-87.1131.6174.2-175.462.5000109.3I8 R9 L36 F62 W101 E104 I105 A108I8-L31 HydrophobicContact CB-CB 4.42Å; I8-L31 HydrophobicContact CB-CD2 4.2Å; I8-L31 HydrophobicContact CB-CG 4.1Å; I8-L31 HydrophobicContact CD1-CG 4.4Å; I8-L31 HydrophobicContact CG2-CD2 3.99Å; I8-L31 HydrophobicContact CG2-CG 4.45Å; I8-L31 PolarHBondContact N-O 3.44Å; R9-L31 HydrophobicContact CB-CB 4.11Å; R9-L31 PolarHBondContact N-O 3.34Å; R9-L31 PolarHBondContact O-N 3.33Å; L31-L36 HydrophobicContact CB-CD1 4.13Å; L31-L36 HydrophobicContact CD1-CB 4.4Å; L31-L36 HydrophobicContact CD1-CD1 4.23Å; L31-F62 HydrophobicContact CD1-CE1 4.32Å; L31-F62 HydrophobicContact CD1-CZ 3.73Å; L31-W101 HydrophobicContact CB-CZ3 4.08Å; L31-E104 HydrophobicContact CD2-CB 3.92Å; L31-I105 HydrophobicContact CD1-CG1 4.03Å; L31-I105 HydrophobicContact CD2-CG1 4.17Å; L31-A108 HydrophobicContact CD1-CB 4.41Å; L31-A108 HydrophobicContact CD2-CB 4.28Å
32T96.5Very high92.9Very high1 Ų152.9 Ų52.91%0.00624%0.236CC..EExtended strand (participates in β ladder)trans-130.7174.8178.865.20000110V5 K6 V30 E34 G35 F62V5-T32 HydrophobicContact CG1-CG2 3.69Å; K6-T32 WeakPolarHBondContact O-CA 3.4Å; V30-T32 HydrophobicContact CG1-CG2 4.23Å; T32-E34 PolarHBondContact O-N 2.86Å; T32-E34 PolarHBondContact OG1-N 3.12Å; T32-G35 PolarHBondContact N-O 2.9Å; T32-G35 PolarHBondContact O-N 3.46Å; T32-G35 PolarHBondContact OG1-N 3.21Å; T32-G35 PolarHBondContact OG1-O 3.24Å; T32-F62 VanDerWaalsContact O-CE2 3.28Å; T32-F62 WeakPolarHBondContact O-CE2 3.45Å
33E95.8Very high91.3Very high81 Ų8153 Ų5338%0.37925%0.251SS..THydrogen-bonded Turntrans-65.8-14.3173.5-64.5-177.7165.600113.4K6 I8 F62 Y112K6-E33 HydrophobicContact CB-CG 4.39Å; K6-E33 VanDerWaalsContact CD-OE1 3.31Å; K6-E33 WeakPolarHBondContact CD-OE1 3.43Å; K6-E33 WeakPolarHBondContact CE-OE1 3.44Å; K6-E33 IonicContact NZ-OE1 2.83Å; K6-E33 PolarHBondContact NZ-OE1 3.07Å; I8-E33 HydrophobicContact CD1-CG 4.06Å; I8-E33 HydrophobicContact CG1-CG 4.33Å; E33-F62 WeakPolarHBondContact O-CD2 3.39Å; E33-Y112 WeakPolarHBondContact O-CD2 3.43Å
34E95.8Very high89.4Confident73 Ų7361.1 Ų61.134%0.34128%0.275SS..THydrogen-bonded Turntrans-101.5-16.2178.7-65.2-171.7-165.300114.2T32 R61 F62T32-E34 PolarHBondContact O-N 2.86Å; T32-E34 PolarHBondContact OG1-N 3.12Å; E34-R61 WeakPolarHBondContact O-CA 3.31Å; E34-R61 IonicContact OE2-CZ 2.76Å; E34-R61 IonicContact OE2-NH1 3.85Å; E34-R61 IonicContact OE2-NH2 3.96Å; E34-R61 PolarHBondContact OE2-NH2 2.92Å; E34-F62 VanDerWaalsContact C-CD2 3.42Å; E34-F62 PolarHBondContact O-N 3.12Å
35G96.9Very high87.5Confident0 Ų061.3 Ų61.30%030%0.298CS..EExtended strand (participates in β ladder)trans151.9-167.2-17700000114.7T32 L60T32-G35 PolarHBondContact N-O 2.9Å; T32-G35 PolarHBondContact O-N 3.46Å; T32-G35 PolarHBondContact OG1-N 3.21Å; T32-G35 PolarHBondContact OG1-O 3.24Å; G35-L60 WeakPolarHBondContact CA-O 3.27Å
36L97Very high85.7Confident0 Ų059.5 Ų59.50%030%0.299CS..EExtended strand (participates in β ladder)trans-110.2120.1-176.2-175.668.6000111.3C29 L31 L38 L60 F92 W101 I105C29-L36 HydrophobicContact CB-CD1 4.04Å; L31-L36 HydrophobicContact CB-CD1 4.13Å; L31-L36 HydrophobicContact CD1-CB 4.4Å; L31-L36 HydrophobicContact CD1-CD1 4.23Å; L36-L38 HydrophobicContact CD2-CD2 3.84Å; L36-L38 HydrophobicContact CG-CD2 3.9Å; L36-L60 HydrophobicContact CB-CB 4.34Å; L36-L60 HydrophobicContact CD2-CD1 4.45Å; L36-L60 PolarHBondContact N-O 2.83Å; L36-L60 PolarHBondContact O-N 3.46Å; L36-F92 HydrophobicContact CD2-CZ 4.27Å; L36-W101 HydrophobicContact CD1-CE3 4.49Å; L36-W101 HydrophobicContact CD1-CZ3 3.82Å; L36-I105 HydrophobicContact CD2-CD1 3.92Å
37R95.6Very high83.8Confident82 Ų8261.6 Ų61.631%0.30932%0.315SS..EExtended strand (participates in β ladder)trans-95.8133.2174.6-65.2-179.8-174160.76.3110.7C29 V30 L39 E59C29-R37 CarbonylContact C-O 3.59Å; C29-R37 VanDerWaalsContact CA-O 3.27Å; C29-R37 WeakPolarHBondContact CA-O 3.27Å; V30-R37 HydrophobicContact CB-CB 4.42Å; V30-R37 PolarHBondContact N-O 3.44Å; V30-R37 PolarHBondContact O-N 2.98Å; R37-L39 HydrophobicContact CB-CD1 4.5Å; R37-E59 HydrophobicContact CG-CB 4.44Å; R37-E59 HydrophobicContact CG-CG 3.96Å; R37-E59 IonicContact CZ-OE1 3.32Å; R37-E59 IonicContact NE-OE1 3.32Å; R37-E59 PolarHBondContact NE-OE1 2.98Å; R37-E59 IonicContact NH2-OE1 3.72Å; R37-E59 PolarHBondContact NH2-OE1 2.93Å
38L94.9Very high82Confident7 Ų763.3 Ų63.34%0.03733%0.334CS..EExtended strand (participates in β ladder)trans-114111-178.9-50.2-179.5000110.1K15 C29 L36 A57 K58 L60 F92K15-L38 HydrophobicContact CD-CD1 3.89Å; C29-L38 WeakPolarHBondContact SG-CD2 3.48Å; L36-L38 HydrophobicContact CD2-CD2 3.84Å; L36-L38 HydrophobicContact CG-CD2 3.9Å; L38-A57 WeakPolarHBondContact O-CA 3.4Å; L38-K58 HydrophobicContact CB-CB 4.45Å; L38-K58 PolarHBondContact N-O 3.32Å; L38-K58 PolarHBondContact O-N 3.29Å; L38-L60 HydrophobicContact CD1-CD1 4.03Å; L38-L60 HydrophobicContact CD1-CG 4.22Å; L38-F92 HydrophobicContact CD1-CE1 4.3Å; L38-F92 HydrophobicContact CD1-CZ 4.15Å; L38-F92 HydrophobicContact CD2-CE1 4.05Å; L38-F92 HydrophobicContact CD2-CZ 4.28Å
39L92.2Very high79.9Confident31 Ų3165.7 Ų65.716%0.16236%0.361CS..EExtended strand (participates in β ladder)trans-99129.3175.5-61.788000109.4K27 R28 V30 R37 W53 A57K27-L39 WeakPolarHBondContact CA-O 3.38Å; R28-L39 HydrophobicContact CB-CB 4.29Å; R28-L39 PolarHBondContact N-O 3.42Å; R28-L39 VanDerWaalsContact N-O 3.13Å; R28-L39 PolarHBondContact O-N 3.01Å; V30-L39 HydrophobicContact CG2-CD1 4.14Å; R37-L39 HydrophobicContact CB-CD1 4.5Å; L39-W53 HydrophobicContact CB-CB 4.37Å; L39-W53 HydrophobicContact CD2-CB 4.41Å; L39-A57 HydrophobicContact CG-CB 4.17Å
40S87Confident78.3Confident41 Ų4169.7 Ų69.729%0.28740%0.402SS..EExtended strand (participates in β ladder)trans-88.9147177.3-60.20000110.5K27 K42 S54K27-S40 PolarHBondContact NZ-OG 3.41Å; S40-K42 PolarHBondContact O-N 3.39Å; S40-S54 WeakPolarHBondContact O-CB 3.36Å; S40-S54 PolarHBondContact O-N 3.29Å
41Y80.9Confident76.8Confident159 Ų15971.9 Ų71.962%0.62442%0.419SS*.EExtended strand (participates in β ladder)trans-60.2138.1168.9-166.1-98000109.8A52 W53Y41-A52 HydrophobicContact CD2-CB 4.37Å; Y41-A52 WeakPolarHBondContact CD2-O 3.39Å; Y41-A52 HydrophobicContact CE2-CB 3.7Å; Y41-W53 HydrophobicContact CD2-CH2 4.4Å; Y41-W53 HydrophobicContact CD2-CZ3 4.34Å
42K74.7Confident75.8Confident43 Ų4374.1 Ų74.119%0.18744%0.437CS..PPolyproline II helixtrans-80.3121.7177.8-168.5177.7178.9-177.70108.1S40 R44 S46 A48 A52S40-K42 PolarHBondContact O-N 3.39Å; K42-R44 PolarHBondContact O-N 3.49Å; K42-S46 WeakPolarHBondContact CE-O 3.36Å; K42-S46 WeakPolarHBondContact CE-OG 3.38Å; K42-S46 PolarHBondContact NZ-O 3.03Å; K42-S46 PolarHBondContact NZ-OG 3.25Å; K42-A48 PolarHBondContact NZ-O 3.31Å; K42-A52 WeakPolarHBondContact CB-O 2.79Å; K42-A52 PolarHBondContact N-O 3.16Å
43A60.1Low74.9Confident83 Ų8376.7 Ų76.769%0.68645%0.447SS*.PPolyproline II helixtrans-60138.9171.500000109.1G45A43-G45 PolarHBondContact O-N 3.43Å; A43-G45 VanDerWaalsContact O-N 3.14Å
44R53.9Low73.8Confident260 Ų26074.4 Ų74.498%0.98144%0.44SS*.SBendtrans-56.9116.4177-175.4178.6170.9-175.1-3.2108.2K42K42-R44 PolarHBondContact O-N 3.49Å
45G55.3Low72.5Confident70 Ų7076.7 Ų76.772%0.72246%0.464SS*.  trans133.517.5-178.200000116.5A43A43-G45 PolarHBondContact O-N 3.43Å; A43-G45 VanDerWaalsContact O-N 3.14Å
46S56.2Low71.2Confident70 Ų7087 Ų8749%0.4950%0.503SS..  trans-119.2114.7169.3153.20000109.3K42 A48K42-S46 WeakPolarHBondContact CE-O 3.36Å; K42-S46 WeakPolarHBondContact CE-OG 3.38Å; K42-S46 PolarHBondContact NZ-O 3.03Å; K42-S46 PolarHBondContact NZ-OG 3.25Å; S46-A48 PolarHBondContact O-N 2.9Å
47D53.2Low70.4Confident163 Ų16389.3 Ų89.387%0.87252%0.522SS*.  trans-76.338.8-159.5-55.1-45.4000115.6
48A54.5Low70.1Confident62 Ų6290.2 Ų90.251%0.51253%0.528SS..  trans-104.6118171.600000109.7K42 S46K42-A48 PolarHBondContact NZ-O 3.31Å; S46-A48 PolarHBondContact O-N 2.9Å
49P51.5Low70Confident135 Ų13592.8 Ų92.888%0.87754%0.54SS*.THydrogen-bonded Turntrans-68133.9174.6-3.517.2000109.9
50G59.7Low70.2Confident84 Ų8491.5 Ų91.587%0.86653%0.533SS*.THydrogen-bonded Turntrans125.4-10.7158.200000118.8
51S64.8Low70.7Confident65 Ų6593.6 Ų93.646%0.45554%0.535SS..  trans-149.4126175.2176.50000113.3W53S51-W53 PolarHBondContact O-N 2.93Å; S51-W53 PolarHBondContact OG-N 2.93Å; S51-W53 VanDerWaalsContact OG-N 3.13Å; S51-W53 PolarHBondContact OG-O 3.28Å; S51-W53 VanDerWaalsContact OG-O 3.13Å
52A76.4Confident71.5Confident47 Ų4786.1 Ų86.139%0.38851%0.505SS..SBendtrans-70-6.9172.400000113.3Y41 K42Y41-A52 HydrophobicContact CD2-CB 4.37Å; Y41-A52 WeakPolarHBondContact CD2-O 3.39Å; Y41-A52 HydrophobicContact CE2-CB 3.7Å; K42-A52 WeakPolarHBondContact CB-O 2.79Å; K42-A52 PolarHBondContact N-O 3.16Å
53W77.1Confident72.6Confident54 Ų5490 Ų9021%0.20553%0.525CS..EExtended strand (participates in β ladder)trans-108.3137.8-178.4-59101.6000111.2L12 R28 L39 Y41 S51L12-W53 HydrophobicContact CD2-CH2 3.74Å; L12-W53 HydrophobicContact CD2-CZ2 3.81Å; R28-W53 HydrophobicContact CB-CD2 3.73Å; R28-W53 HydrophobicContact CB-CE3 3.81Å; R28-W53 HydrophobicContact CB-CG 4.37Å; R28-W53 HydrophobicContact CB-CH2 4.03Å; R28-W53 HydrophobicContact CB-CZ2 3.94Å; R28-W53 HydrophobicContact CB-CZ3 3.96Å; L39-W53 HydrophobicContact CB-CB 4.37Å; L39-W53 HydrophobicContact CD2-CB 4.41Å; Y41-W53 HydrophobicContact CD2-CH2 4.4Å; Y41-W53 HydrophobicContact CD2-CZ3 4.34Å; S51-W53 PolarHBondContact O-N 2.93Å; S51-W53 PolarHBondContact OG-N 2.93Å; S51-W53 VanDerWaalsContact OG-N 3.13Å; S51-W53 PolarHBondContact OG-O 3.28Å; S51-W53 VanDerWaalsContact OG-O 3.13Å
54S72.8Confident74.4Confident33 Ų3393.7 Ų93.723%0.23152%0.521CS..EExtended strand (participates in β ladder)trans-62.9137.3175.1179.50000111.4S40 R56S40-S54 WeakPolarHBondContact O-CB 3.36Å; S40-S54 PolarHBondContact O-N 3.29Å; S54-R56 PolarHBondContact O-N 2.8Å; S54-R56 PolarHBondContact OG-N 3.34Å; S54-R56 VanDerWaalsContact OG-N 3.11Å
55S67.6Low76.5Confident122 Ų12281.5 Ų81.585%0.85348%0.475SS*.EExtended strand (participates in β ladder)trans-70.1-19.5169.856.50000112.9A57S55-A57 PolarHBondContact O-N 2.69Å
56R70.8Confident78.5Confident216 Ų21682.5 Ų82.582%0.81546%0.461SS*.EExtended strand (participates in β ladder)trans-77.191.9172.3-64.7-172.4-165.7172.34.8109.4S54S54-R56 PolarHBondContact O-N 2.8Å; S54-R56 PolarHBondContact OG-N 3.34Å; S54-R56 VanDerWaalsContact OG-N 3.11Å
57A78.8Confident80.4Confident49 Ų4981.3 Ų81.341%0.40545%0.45SS..EExtended strand (participates in β ladder)trans-87.9137.3173.800000110.8L38 L39 S55L38-A57 WeakPolarHBondContact O-CA 3.4Å; L39-A57 HydrophobicContact CG-CB 4.17Å; S55-A57 PolarHBondContact O-N 2.69Å
58K89.6Confident82.5Confident100 Ų10074.7 Ų74.744%0.43542%0.416SS..EExtended strand (participates in β ladder)trans-89.7127.7164.9-177.9178.6179.8-178.30108.4L38L38-K58 HydrophobicContact CB-CB 4.45Å; L38-K58 PolarHBondContact N-O 3.32Å; L38-K58 PolarHBondContact O-N 3.29Å
59E93.3Very high84.3Confident61 Ų6176.1 Ų76.129%0.28541%0.412SS..EExtended strand (participates in β ladder)trans-103.7126.9179-165.3169.2-128.400111.2R37 R61R37-E59 HydrophobicContact CG-CB 4.44Å; R37-E59 HydrophobicContact CG-CG 3.96Å; R37-E59 IonicContact CZ-OE1 3.32Å; R37-E59 IonicContact NE-OE1 3.32Å; R37-E59 PolarHBondContact NE-OE1 2.98Å; R37-E59 IonicContact NH2-OE1 3.72Å; R37-E59 PolarHBondContact NH2-OE1 2.93Å; E59-R61 HydrophobicContact CB-CG 4.45Å; E59-R61 HydrophobicContact CG-CG 3.76Å; E59-R61 IonicContact OE1-NH1 3.2Å; E59-R61 IonicContact OE2-CZ 3.06Å; E59-R61 IonicContact OE2-NH1 3.74Å; E59-R61 PolarHBondContact OE2-NH1 3.22Å
60L96.6Very high85.5Confident5 Ų574.2 Ų74.23%0.02640%0.401CS..EExtended strand (participates in β ladder)trans-100.186.5169.4-52.8-174.7000107.4G35 L36 L38 M65 M84 I90 F92G35-L60 WeakPolarHBondContact CA-O 3.27Å; L36-L60 HydrophobicContact CB-CB 4.34Å; L36-L60 HydrophobicContact CD2-CD1 4.45Å; L36-L60 PolarHBondContact N-O 2.83Å; L36-L60 PolarHBondContact O-N 3.46Å; L38-L60 HydrophobicContact CD1-CD1 4.03Å; L38-L60 HydrophobicContact CD1-CG 4.22Å; L60-M65 HydrophobicContact CB-CE 4.19Å; L60-M84 HydrophobicContact CB-CE 4.1Å; L60-M84 HydrophobicContact CB-SD 4.19Å; L60-M84 HydrophobicContact CD2-CE 4.42Å; L60-M84 HydrophobicContact CD2-SD 4.41Å; L60-I90 HydrophobicContact CD1-CD1 3.84Å; L60-I90 HydrophobicContact CD2-CD1 3.59Å; L60-I90 HydrophobicContact CG-CD1 4.4Å; L60-F92 HydrophobicContact CD1-CE2 4.23Å; L60-F92 HydrophobicContact CD1-CZ 3.86Å
61R97.3Very high86.6Confident84 Ų8473.2 Ų73.232%0.31738%0.378SS..EExtended strand (participates in β ladder)trans-70.2138.5-177.7-60.1-178.177.487.26110.6E34 E59 E63 R64 M65E34-R61 WeakPolarHBondContact O-CA 3.31Å; E34-R61 IonicContact OE2-CZ 2.76Å; E34-R61 IonicContact OE2-NH1 3.85Å; E34-R61 IonicContact OE2-NH2 3.96Å; E34-R61 PolarHBondContact OE2-NH2 2.92Å; E59-R61 HydrophobicContact CB-CG 4.45Å; E59-R61 HydrophobicContact CG-CG 3.76Å; E59-R61 IonicContact OE1-NH1 3.2Å; E59-R61 IonicContact OE2-CZ 3.06Å; E59-R61 IonicContact OE2-NH1 3.74Å; E59-R61 PolarHBondContact OE2-NH1 3.22Å; R61-E63 PolarHBondContact O-N 2.88Å; R61-R64 PolarHBondContact O-N 3.31Å; R61-M65 PolarHBondContact O-N 3.4Å
62F98Very high87.8Confident2 Ų275.2 Ų75.21%0.00938%0.38CS..G310 helixtrans-62.3-29.7177.2-69.9-33.2000113.3L31 T32 E33 E34 R64 M65 I105 A108 L109 Y112L31-F62 HydrophobicContact CD1-CE1 4.32Å; L31-F62 HydrophobicContact CD1-CZ 3.73Å; T32-F62 VanDerWaalsContact O-CE2 3.28Å; T32-F62 WeakPolarHBondContact O-CE2 3.45Å; E33-F62 WeakPolarHBondContact O-CD2 3.39Å; E34-F62 VanDerWaalsContact C-CD2 3.42Å; E34-F62 PolarHBondContact O-N 3.12Å; F62-R64 PolarHBondContact O-N 2.91Å; F62-R64 VanDerWaalsContact O-N 3.11Å; F62-M65 HydrophobicContact CD1-CB 4.47Å; F62-M65 HydrophobicContact CD1-CE 4Å; F62-M65 HydrophobicContact CD1-SD 3.92Å; F62-M65 HydrophobicContact CE1-CE 4.15Å; F62-M65 HydrophobicContact CE1-SD 4.1Å; F62-M65 PolarHBondContact O-N 2.99Å; F62-I105 HydrophobicContact CE1-CG2 4.39Å; F62-A108 HydrophobicContact CE2-CB 3.73Å; F62-A108 HydrophobicContact CZ-CB 3.46Å; F62-A108 VanDerWaalsContact CZ-CB 3.46Å; F62-L109 HydrophobicContact CB-CD1 3.85Å; F62-L109 HydrophobicContact CD1-CB 4.16Å; F62-L109 HydrophobicContact CD1-CD1 3.75Å; F62-L109 HydrophobicContact CE1-CB 4.18Å; F62-L109 HydrophobicContact CG-CD1 3.98Å; F62-Y112 HydrophobicContact CB-CD1 3.56Å; F62-Y112 HydrophobicContact CB-CD2 4.17Å; F62-Y112 HydrophobicContact CB-CE1 3.96Å; F62-Y112 HydrophobicContact CB-CG 3.68Å; F62-Y112 HydrophobicContact CD2-CD2 4.15Å; F62-Y112 AromaticContact CD2-CG 3.94Å; F62-Y112 HydrophobicContact CD2-CG 3.94Å; F62-Y112 HydrophobicContact CG-CG 4.27Å
63E97Very high88.5Confident126 Ų12678.9 Ų78.959%0.58939%0.385SS*.G310 helixtrans-50.8-33.4170.5-171.7-167.7168.100112.9R61R61-E63 PolarHBondContact O-N 2.88Å
64R97.6Very high89.1Confident159 Ų15981.5 Ų81.560%0.640%0.397SS*.G310 helixtrans-1073.9-179.4-57.9-177.9-176.2-168.5-0112.7R61 F62 M84 A85R61-R64 PolarHBondContact O-N 3.31Å; F62-R64 PolarHBondContact O-N 2.91Å; F62-R64 VanDerWaalsContact O-N 3.11Å; R64-M84 HydrophobicContact CB-CE 3.98Å; R64-M84 CarbonylContact O-C 3.54Å; R64-M84 WeakPolarHBondContact O-CA 3.28Å; R64-A85 HydrophobicContact CB-CB 4.35Å; R64-A85 PolarHBondContact O-N 3.46Å
65M98.1Very high89.9Confident5 Ų590.6 Ų90.63%0.02543%0.427CS..EExtended strand (participates in β ladder)trans-95.3122.5-178.7-169.9177.9-64.700109.2L60 R61 F62 V68 V82 M84 I105 L109L60-M65 HydrophobicContact CB-CE 4.19Å; R61-M65 PolarHBondContact O-N 3.4Å; F62-M65 HydrophobicContact CD1-CB 4.47Å; F62-M65 HydrophobicContact CD1-CE 4Å; F62-M65 HydrophobicContact CD1-SD 3.92Å; F62-M65 HydrophobicContact CE1-CE 4.15Å; F62-M65 HydrophobicContact CE1-SD 4.1Å; F62-M65 PolarHBondContact O-N 2.99Å; M65-V68 HydrophobicContact SD-CG2 4.33Å; M65-V82 HydrophobicContact CE-CG1 3.48Å; M65-V82 VanDerWaalsContact CE-CG1 3.48Å; M65-V82 HydrophobicContact CG-CG1 3.82Å; M65-V82 HydrophobicContact SD-CG1 3.73Å; M65-M84 HydrophobicContact CB-CE 4.36Å; M65-M84 HydrophobicContact CB-SD 4.24Å; M65-M84 HydrophobicContact CE-SD 4.21Å; M65-M84 HydrophobicContact CG-SD 4.22Å; M65-I105 HydrophobicContact CE-CG2 4.39Å; M65-I105 HydrophobicContact SD-CG2 4.02Å; M65-L109 HydrophobicContact CB-CD1 3.97Å; M65-L109 HydrophobicContact CB-CD2 4.44Å; M65-L109 HydrophobicContact CG-CD1 4.27Å; M65-L109 HydrophobicContact CG-CD2 3.89Å; M65-L109 HydrophobicContact SD-CD1 4.33Å; M65-L109 HydrophobicContact SD-CD2 3.92Å
66E96.9Very high90.9Very high91 Ų9192.4 Ų92.443%0.42542%0.422SS..EExtended strand (participates in β ladder)trans-82.9-50.4-179.7-69.7177.6175.800109.9V83 A85 K86 K113E66-V83 HydrophobicContact CB-CB 4.45Å; E66-V83 HydrophobicContact CB-CG1 4.3Å; E66-V83 PolarHBondContact N-O 2.87Å; E66-A85 VanDerWaalsContact OE1-CA 3.27Å; E66-A85 WeakPolarHBondContact OE1-CA 3.21Å; E66-K86 PolarHBondContact OE1-N 3.37Å; E66-K113 PolarHBondContact O-NZ 3.11Å
67T96.6Very high91.9Very high44 Ų4484 Ų8427%0.2739%0.392SS..EExtended strand (participates in β ladder)trans-163.5168.7-174.1-1770000112.3E69 V83T67-E69 HydrophobicContact CG2-CG 3.65Å; T67-E69 VanDerWaalsContact CG2-OE1 3.32Å; T67-E69 WeakPolarHBondContact CG2-OE1 3.38Å; T67-V83 HydrophobicContact CG2-CB 3.68Å; T67-V83 HydrophobicContact CG2-CG1 4.48Å; T67-V83 HydrophobicContact CG2-CG2 3.68Å; T67-V83 PolarHBondContact N-O 2.86Å; T67-V83 PolarHBondContact O-N 3.38Å
68V96.9Very high92.6Very high25 Ų2581.9 Ų81.915%0.15237%0.374CS..EExtended strand (participates in β ladder)trans-117.3120.8167.5-177.40000107.1M65 F80 T81 V82 N102 I105 A106M65-V68 HydrophobicContact SD-CG2 4.33Å; V68-F80 HydrophobicContact CG1-CD2 4.01Å; V68-T81 CarbonylContact C-O 3.6Å; V68-T81 WeakPolarHBondContact CA-O 3.47Å; V68-V82 HydrophobicContact CG2-CG2 4.48Å; V68-N102 HydrophobicContact CG1-CB 4.5Å; V68-I105 HydrophobicContact CG2-CB 4.35Å; V68-I105 HydrophobicContact CG2-CG2 3.68Å; V68-A106 HydrophobicContact CB-CB 4.26Å; V68-A106 HydrophobicContact CG2-CB 4.33Å
69E93.4Very high92.9Very high92 Ų9279.8 Ų79.843%0.4336%0.364SS..EExtended strand (participates in β ladder)trans-131.9179-170.1-71.3-172.2170.900113.1T67 V71 T81T67-E69 HydrophobicContact CG2-CG 3.65Å; T67-E69 VanDerWaalsContact CG2-OE1 3.32Å; T67-E69 WeakPolarHBondContact CG2-OE1 3.38Å; E69-V71 PolarHBondContact O-N 3.46Å; E69-T81 PolarHBondContact N-O 2.92Å; E69-T81 PolarHBondContact O-N 3.47Å
70C76.5Confident93.1Very high94 Ų9477 Ų7764%0.63535%0.351SS*.EExtended strand (participates in β ladder)trans50.752.9171.1-68.50000113.6E72 Y79 F80C70-E72 PolarHBondContact O-N 2.9Å; C70-E72 VanDerWaalsContact O-N 3.11Å; C70-Y79 CarbonylContact O-C 3.55Å; C70-F80 WeakPolarHBondContact O-CA 3.31Å
71V82.1Confident93.1Very high64 Ų6477.5 Ų77.539%0.38835%0.354SS..EExtended strand (participates in β ladder)trans-76.499.4175.8-173.50000109.2E69 Y73 V78 Y79 F80 N102E69-V71 PolarHBondContact O-N 3.46Å; V71-Y73 HydrophobicContact CG1-CD2 4.39Å; V71-Y73 HydrophobicContact CG1-CE2 3.56Å; V71-V78 HydrophobicContact CG1-CG1 3.92Å; V71-Y79 CarbonylContact C-O 3.57Å; V71-Y79 VanDerWaalsContact CA-O 3.26Å; V71-Y79 WeakPolarHBondContact CA-O 3.5Å; V71-F80 HydrophobicContact CG2-CB 4.28Å; V71-N102 VanDerWaalsContact CG1-ND2 3.32Å; V71-N102 WeakPolarHBondContact CG1-ND2 3.36Å; V71-N102 HydrophobicContact CG2-CB 4.25Å
72E91.3Very high93.2Very high107 Ų10773.5 Ų73.550%0.534%0.339SS..EExtended strand (participates in β ladder)trans-110.5136.6176.6-171.7-173.5173.500110.3C70 V78 Y79C70-E72 PolarHBondContact O-N 2.9Å; C70-E72 VanDerWaalsContact O-N 3.11Å; E72-V78 CarbonylContact O-C 3.51Å; E72-V78 WeakPolarHBondContact O-CA 3.4Å; E72-Y79 PolarHBondContact N-O 3.3Å; E72-Y79 PolarHBondContact O-N 2.66Å
73Y91Very high93.1Very high123 Ų12373.9 Ų73.948%0.48234%0.341SS..EExtended strand (participates in β ladder)trans-108.2118.1175.6-63.3-96.4000109.2V71 M77 V78 Q96V71-Y73 HydrophobicContact CG1-CD2 4.39Å; V71-Y73 HydrophobicContact CG1-CE2 3.56Å; Y73-M77 WeakPolarHBondContact CA-O 3.47Å; Y73-V78 HydrophobicContact CD1-CB 4.45Å; Y73-V78 HydrophobicContact CD1-CG1 4.39Å; Y73-V78 HydrophobicContact CD1-CG2 3.67Å; Y73-V78 HydrophobicContact CE1-CB 4.31Å; Y73-V78 HydrophobicContact CE1-CG1 3.99Å; Y73-V78 HydrophobicContact CE1-CG2 3.48Å; Y73-V78 VanDerWaalsContact CE1-CG2 3.48Å; Y73-Q96 HydrophobicContact CD1-CG 4.2Å; Y73-Q96 HydrophobicContact CE1-CG 4.42Å
74K89.9Confident93.1Very high109 Ų10968.7 Ų68.747%0.47432%0.317SS..EExtended strand (participates in β ladder)trans-149.6127.9-176.9-176.9172.9-174.3169.80111E76 M77 Y79K74-E76 VanDerWaalsContact C-N 3.31Å; K74-E76 PolarHBondContact O-N 2.96Å; K74-M77 PolarHBondContact N-O 2.66Å; K74-M77 WeakPolarHBondContact O-CB 3.3Å; K74-M77 PolarHBondContact O-N 3.28Å; K74-Y79 HydrophobicContact CB-CE2 4.15Å
75R88.4Confident93.1Very high225 Ų22563.1 Ų63.185%0.84931%0.306SS*.THydrogen-bonded Turntrans48.451.8176.2-60.6-179.9178.2-153.7-0.4112.2M77R75-M77 PolarHBondContact O-N 2.97Å; R75-M77 VanDerWaalsContact O-N 3.11Å
76E90.2Very high92.9Very high159 Ų15972.9 Ų72.974%0.74335%0.348SS*.THydrogen-bonded Turntrans63.214.5179.7-51.4177.3151.700114.9K74 A95 Q96K74-E76 VanDerWaalsContact C-N 3.31Å; K74-E76 PolarHBondContact O-N 2.96Å; E76-A95 WeakPolarHBondContact O-CA 3.27Å; E76-Q96 WeakPolarHBondContact O-CB 3.41Å; E76-Q96 PolarHBondContact O-N 2.82Å
77M91.6Very high92.6Very high41 Ų4170.9 Ų70.920%0.20235%0.351CS..EExtended strand (participates in β ladder)trans-115.1140.7176-62.6-68.4-67.100110.1Y73 K74 R75 Y79 R93 C94 A95Y73-M77 WeakPolarHBondContact CA-O 3.47Å; K74-M77 PolarHBondContact N-O 2.66Å; K74-M77 WeakPolarHBondContact O-CB 3.3Å; K74-M77 PolarHBondContact O-N 3.28Å; R75-M77 PolarHBondContact O-N 2.97Å; R75-M77 VanDerWaalsContact O-N 3.11Å; M77-Y79 HydrophobicContact CB-CD2 4.25Å; M77-Y79 HydrophobicContact CB-CE2 3.56Å; M77-R93 HydrophobicContact CE-CB 4.05Å; M77-R93 HydrophobicContact CE-CG 3.64Å; M77-C94 CarbonylContact C-O 3.57Å; M77-C94 VanDerWaalsContact CA-O 3.3Å; M77-C94 WeakPolarHBondContact CA-O 3.32Å; M77-A95 HydrophobicContact SD-CB 4.44Å
78V93.4Very high92.5Very high3 Ų374.6 Ų74.62%0.01836%0.364CS..EExtended strand (participates in β ladder)trans-97.8127.7167.3-1700000107.6V71 E72 Y73 R93 C94 Q96V71-V78 HydrophobicContact CG1-CG1 3.92Å; E72-V78 CarbonylContact O-C 3.51Å; E72-V78 WeakPolarHBondContact O-CA 3.4Å; Y73-V78 HydrophobicContact CD1-CB 4.45Å; Y73-V78 HydrophobicContact CD1-CG1 4.39Å; Y73-V78 HydrophobicContact CD1-CG2 3.67Å; Y73-V78 HydrophobicContact CE1-CB 4.31Å; Y73-V78 HydrophobicContact CE1-CG1 3.99Å; Y73-V78 HydrophobicContact CE1-CG2 3.48Å; Y73-V78 VanDerWaalsContact CE1-CG2 3.48Å; V78-R93 CarbonylContact O-C 3.58Å; V78-R93 WeakPolarHBondContact O-CA 3.42Å; V78-R93 VanDerWaalsContact O-CB 3.28Å; V78-R93 WeakPolarHBondContact O-CB 3.4Å; V78-C94 PolarHBondContact N-O 2.96Å; V78-C94 PolarHBondContact O-N 3Å; V78-Q96 HydrophobicContact CG2-CB 4Å; V78-Q96 HydrophobicContact CG2-CG 4.22Å
79Y95.4Very high92.5Very high57 Ų5779.3 Ų79.322%0.22438%0.384CS..EExtended strand (participates in β ladder)trans-108.6140.7172.1-63.7-101.4000108.4W24 C70 V71 E72 K74 M77 F92 R93W24-Y79 HydrophobicContact CH2-CD1 4.03Å; W24-Y79 HydrophobicContact CH2-CE1 4.36Å; W24-Y79 AromaticContact CZ2-CD1 3.93Å; W24-Y79 HydrophobicContact CZ2-CD1 3.93Å; W24-Y79 AromaticContact CZ2-CE1 3.86Å; W24-Y79 HydrophobicContact CZ2-CE1 3.86Å; C70-Y79 CarbonylContact O-C 3.55Å; V71-Y79 CarbonylContact C-O 3.57Å; V71-Y79 VanDerWaalsContact CA-O 3.26Å; V71-Y79 WeakPolarHBondContact CA-O 3.5Å; E72-Y79 PolarHBondContact N-O 3.3Å; E72-Y79 PolarHBondContact O-N 2.66Å; K74-Y79 HydrophobicContact CB-CE2 4.15Å; M77-Y79 HydrophobicContact CB-CD2 4.25Å; M77-Y79 HydrophobicContact CB-CE2 3.56Å; Y79-F92 WeakPolarHBondContact CA-O 3.33Å; Y79-R93 HydrophobicContact CD1-CB 3.77Å; Y79-R93 HydrophobicContact CE1-CB 4Å; Y79-R93 VanDerWaalsContact CE1-CD 3.47Å; Y79-R93 HydrophobicContact CE1-CG 4.35Å; Y79-R93 HydrophobicContact CG-CB 4.18Å
80F96.9Very high92.6Very high2 Ų275.4 Ų75.41%0.00937%0.366CS..EExtended strand (participates in β ladder)trans-156.2156.817563.8-84.3000111.1L13 V68 C70 V71 V82 F92 W101 N102 I105L13-F80 HydrophobicContact CD1-CE1 3.95Å; L13-F80 HydrophobicContact CD1-CZ 3.97Å; L13-F80 HydrophobicContact CD2-CZ 3.75Å; L13-F80 HydrophobicContact CG-CZ 4.38Å; V68-F80 HydrophobicContact CG1-CD2 4.01Å; C70-F80 WeakPolarHBondContact O-CA 3.31Å; V71-F80 HydrophobicContact CG2-CB 4.28Å; F80-V82 HydrophobicContact CD2-CG2 4.33Å; F80-V82 HydrophobicContact CE2-CG2 4.18Å; F80-F92 HydrophobicContact CD1-CB 4.1Å; F80-F92 HydrophobicContact CD2-CB 4.09Å; F80-F92 HydrophobicContact CD2-CD2 4.36Å; F80-F92 HydrophobicContact CE1-CB 3.65Å; F80-F92 HydrophobicContact CE2-CB 3.63Å; F80-F92 AromaticContact CE2-CD2 3.86Å; F80-F92 HydrophobicContact CE2-CD2 3.86Å; F80-F92 AromaticContact CE2-CG 3.99Å; F80-F92 HydrophobicContact CE2-CG 3.99Å; F80-F92 HydrophobicContact CG-CB 4.32Å; F80-F92 HydrophobicContact CZ-CB 3.42Å; F80-F92 VanDerWaalsContact CZ-CB 3.42Å; F80-F92 HydrophobicContact CZ-CD2 4.38Å; F80-F92 HydrophobicContact CZ-CG 4.05Å; F80-F92 PolarHBondContact N-O 2.79Å; F80-F92 PolarHBondContact O-N 2.9Å; F80-W101 HydrophobicContact CE1-CB 4.14Å; F80-W101 HydrophobicContact CZ-CB 3.96Å; F80-N102 HydrophobicContact CB-CB 4Å; F80-N102 HydrophobicContact CD1-CB 3.83Å; F80-N102 HydrophobicContact CD2-CB 4.11Å; F80-N102 HydrophobicContact CE1-CB 4.23Å; F80-N102 HydrophobicContact CE2-CB 4.5Å; F80-N102 HydrophobicContact CG-CB 3.73Å; F80-I105 HydrophobicContact CE2-CD1 3.82Å; F80-I105 HydrophobicContact CZ-CD1 4.03Å
81T97.5Very high93.6Very high15 Ų1572 Ų729%0.09234%0.342CS..EExtended strand (participates in β ladder)trans-117.2130.9-178.6-57.20000109.8V68 E69 V83 E89 D91V68-T81 CarbonylContact C-O 3.6Å; V68-T81 WeakPolarHBondContact CA-O 3.47Å; E69-T81 PolarHBondContact N-O 2.92Å; E69-T81 PolarHBondContact O-N 3.47Å; T81-V83 HydrophobicContact CG2-CG2 4.42Å; T81-E89 HydrophobicContact CG2-CB 3.73Å; T81-E89 HydrophobicContact CG2-CG 3.94Å; T81-D91 WeakPolarHBondContact CG2-OD1 3.12Å; T81-D91 PolarHBondContact OG1-OD1 3.23Å
82V97.7Very high94.3Very high0 Ų069 Ų690%032%0.323CS..EExtended strand (participates in β ladder)trans-97118.8168.5172.80000108M65 V68 F80 M84 I90 F92M65-V82 HydrophobicContact CE-CG1 3.48Å; M65-V82 VanDerWaalsContact CE-CG1 3.48Å; M65-V82 HydrophobicContact CG-CG1 3.82Å; M65-V82 HydrophobicContact SD-CG1 3.73Å; V68-V82 HydrophobicContact CG2-CG2 4.48Å; F80-V82 HydrophobicContact CD2-CG2 4.33Å; F80-V82 HydrophobicContact CE2-CG2 4.18Å; V82-M84 HydrophobicContact CG1-CG 4.49Å; V82-M84 HydrophobicContact CG1-SD 3.62Å; V82-I90 PolarHBondContact N-O 3.25Å; V82-I90 PolarHBondContact O-N 3.35Å; V82-F92 HydrophobicContact CB-CD2 4.4Å; V82-F92 HydrophobicContact CB-CE2 4Å; V82-F92 HydrophobicContact CG2-CD2 3.87Å; V82-F92 HydrophobicContact CG2-CE2 3.7Å
83V97.3Very high94.5Very high10 Ų1066.7 Ų66.76%0.06131%0.31CS..EExtended strand (participates in β ladder)trans-93.5122.1176.5-171.10000108.7E66 T67 T81 E89E66-V83 HydrophobicContact CB-CB 4.45Å; E66-V83 HydrophobicContact CB-CG1 4.3Å; E66-V83 PolarHBondContact N-O 2.87Å; T67-V83 HydrophobicContact CG2-CB 3.68Å; T67-V83 HydrophobicContact CG2-CG1 4.48Å; T67-V83 HydrophobicContact CG2-CG2 3.68Å; T67-V83 PolarHBondContact N-O 2.86Å; T67-V83 PolarHBondContact O-N 3.38Å; T81-V83 HydrophobicContact CG2-CG2 4.42Å; V83-E89 HydrophobicContact CG2-CG 4.31Å
84M97.4Very high94.6Very high17 Ų1761.2 Ų61.28%0.08429%0.289CS..EExtended strand (participates in β ladder)trans-101.8161.8176.1-52.3-62.8-59.100110L60 R64 M65 V82 G87 K88 I90L60-M84 HydrophobicContact CB-CE 4.1Å; L60-M84 HydrophobicContact CB-SD 4.19Å; L60-M84 HydrophobicContact CD2-CE 4.42Å; L60-M84 HydrophobicContact CD2-SD 4.41Å; R64-M84 HydrophobicContact CB-CE 3.98Å; R64-M84 CarbonylContact O-C 3.54Å; R64-M84 WeakPolarHBondContact O-CA 3.28Å; M65-M84 HydrophobicContact CB-CE 4.36Å; M65-M84 HydrophobicContact CB-SD 4.24Å; M65-M84 HydrophobicContact CE-SD 4.21Å; M65-M84 HydrophobicContact CG-SD 4.22Å; V82-M84 HydrophobicContact CG1-CG 4.49Å; V82-M84 HydrophobicContact CG1-SD 3.62Å; M84-G87 PolarHBondContact O-N 3.29Å; M84-K88 HydrophobicContact CB-CB 4.14Å; M84-K88 WeakPolarHBondContact CB-O 3.39Å; M84-K88 PolarHBondContact N-O 2.94Å; M84-K88 PolarHBondContact O-N 2.94Å; M84-I90 HydrophobicContact CG-CD1 3.88Å; M84-I90 HydrophobicContact CG-CG1 4.41Å
85A96.1Very high94.7Very high43 Ų4358.5 Ų58.536%0.35529%0.288SS..THydrogen-bonded Turntrans-43.1139176.800000112.3R64 E66R64-A85 HydrophobicContact CB-CB 4.35Å; R64-A85 PolarHBondContact O-N 3.46Å; E66-A85 VanDerWaalsContact OE1-CA 3.27Å; E66-A85 WeakPolarHBondContact OE1-CA 3.21Å
86K93.9Very high94.6Very high210 Ų21052.4 Ų52.491%0.91327%0.269SS*.THydrogen-bonded Turntrans69.730.8-175.1-46178.5177.3-173.20112.8E66 K88E66-K86 PolarHBondContact OE1-N 3.37Å; K86-K88 VanDerWaalsContact C-N 3.28Å; K86-K88 PolarHBondContact O-N 2.76Å
87G90.8Very high94.1Very high48 Ų4853.6 Ų53.650%0.49527%0.274SS..THydrogen-bonded Turntrans66.724.1175.200000114.6M84 E89M84-G87 PolarHBondContact O-N 3.29Å; G87-E89 PolarHBondContact O-N 2.83Å
88K95.1Very high92.8Very high122 Ų12255.1 Ų55.153%0.5330%0.301SS..EExtended strand (participates in β ladder)trans-83109.9-178.3174.7-179.8-173.6159.90110.6M84 K86M84-K88 HydrophobicContact CB-CB 4.14Å; M84-K88 WeakPolarHBondContact CB-O 3.39Å; M84-K88 PolarHBondContact N-O 2.94Å; M84-K88 PolarHBondContact O-N 2.94Å; K86-K88 VanDerWaalsContact C-N 3.28Å; K86-K88 PolarHBondContact O-N 2.76Å
89E95.9Very high91.7Very high125 Ų12556.5 Ų56.558%0.58431%0.309SS*.EExtended strand (participates in β ladder)trans-86.8143.2179.8-67176-169.300113.2T81 V83 G87T81-E89 HydrophobicContact CG2-CB 3.73Å; T81-E89 HydrophobicContact CG2-CG 3.94Å; V83-E89 HydrophobicContact CG2-CG 4.31Å; G87-E89 PolarHBondContact O-N 2.83Å
90I96.2Very high91.3Very high9 Ų958.7 Ų58.75%0.04632%0.324CS..EExtended strand (participates in β ladder)trans-137.3113.4174.4-52.2175.5000108.9K15 L60 V82 M84 F92K15-I90 HydrophobicContact CD-CG2 3.91Å; K15-I90 HydrophobicContact CG-CG2 3.77Å; L60-I90 HydrophobicContact CD1-CD1 3.84Å; L60-I90 HydrophobicContact CD2-CD1 3.59Å; L60-I90 HydrophobicContact CG-CD1 4.4Å; V82-I90 PolarHBondContact N-O 3.25Å; V82-I90 PolarHBondContact O-N 3.35Å; M84-I90 HydrophobicContact CG-CD1 3.88Å; M84-I90 HydrophobicContact CG-CG1 4.41Å; I90-F92 HydrophobicContact CB-CE2 4.02Å; I90-F92 HydrophobicContact CG2-CD2 4.3Å; I90-F92 HydrophobicContact CG2-CE1 4.49Å; I90-F92 HydrophobicContact CG2-CE2 3.53Å; I90-F92 HydrophobicContact CG2-CZ 3.66Å; I90-F92 WeakPolarHBondContact O-CD2 3.32Å
91D96.8Very high91.2Very high23 Ų2358.7 Ų58.712%0.12332%0.324CS..EExtended strand (participates in β ladder)trans-89.4141.8-178.9-41-71.2000112.3R16 W24 T81R16-D91 HydrophobicContact CB-CB 3.95Å; R16-D91 IonicContact CZ-OD2 2.7Å; R16-D91 PolarHBondContact N-O 3.03Å; R16-D91 IonicContact NE-OD2 3.63Å; R16-D91 PolarHBondContact NE-OD2 3.46Å; R16-D91 VanDerWaalsContact NH2-CG 3.28Å; R16-D91 IonicContact NH2-OD1 2.75Å; R16-D91 IonicContact NH2-OD2 2.85Å; R16-D91 PolarHBondContact NH2-OD2 3.29Å; W24-D91 HydrophobicContact CH2-CB 3.9Å; W24-D91 HydrophobicContact CZ3-CB 4.3Å; T81-D91 WeakPolarHBondContact CG2-OD1 3.12Å; T81-D91 PolarHBondContact OG1-OD1 3.23Å
92F96.7Very high91Very high1 Ų158.6 Ų58.60%0.00432%0.323CS..EExtended strand (participates in β ladder)trans-128.5155.3177.8-65.9-83.3000110.6L13 E14 K15 W24 L36 L38 L60 Y79 F80 V82 I90L13-F92 HydrophobicContact CD1-CB 4.44Å; L13-F92 HydrophobicContact CD2-CB 3.93Å; L13-F92 HydrophobicContact CD2-CD1 3.3Å; L13-F92 HydrophobicContact CD2-CE1 3.86Å; L13-F92 HydrophobicContact CD2-CG 3.71Å; L13-F92 HydrophobicContact CG-CB 4.07Å; L13-F92 HydrophobicContact CG-CD1 3.7Å; L13-F92 HydrophobicContact CG-CG 4.22Å; E14-F92 CarbonylContact O-C 3.6Å; E14-F92 WeakPolarHBondContact O-CA 3.33Å; K15-F92 HydrophobicContact CB-CD1 3.96Å; K15-F92 HydrophobicContact CB-CE1 3.8Å; K15-F92 HydrophobicContact CD-CE1 4.26Å; K15-F92 HydrophobicContact CD-CZ 4.46Å; K15-F92 HydrophobicContact CG-CD1 4.03Å; K15-F92 HydrophobicContact CG-CE1 3.61Å; K15-F92 HydrophobicContact CG-CZ 4.06Å; W24-F92 VanDerWaalsContact CZ3-C 3.48Å; L36-F92 HydrophobicContact CD2-CZ 4.27Å; L38-F92 HydrophobicContact CD1-CE1 4.3Å; L38-F92 HydrophobicContact CD1-CZ 4.15Å; L38-F92 HydrophobicContact CD2-CE1 4.05Å; L38-F92 HydrophobicContact CD2-CZ 4.28Å; L60-F92 HydrophobicContact CD1-CE2 4.23Å; L60-F92 HydrophobicContact CD1-CZ 3.86Å; Y79-F92 WeakPolarHBondContact CA-O 3.33Å; F80-F92 HydrophobicContact CD1-CB 4.1Å; F80-F92 HydrophobicContact CD2-CB 4.09Å; F80-F92 HydrophobicContact CD2-CD2 4.36Å; F80-F92 HydrophobicContact CE1-CB 3.65Å; F80-F92 HydrophobicContact CE2-CB 3.63Å; F80-F92 AromaticContact CE2-CD2 3.86Å; F80-F92 HydrophobicContact CE2-CD2 3.86Å; F80-F92 AromaticContact CE2-CG 3.99Å; F80-F92 HydrophobicContact CE2-CG 3.99Å; F80-F92 HydrophobicContact CG-CB 4.32Å; F80-F92 HydrophobicContact CZ-CB 3.42Å; F80-F92 VanDerWaalsContact CZ-CB 3.42Å; F80-F92 HydrophobicContact CZ-CD2 4.38Å; F80-F92 HydrophobicContact CZ-CG 4.05Å; F80-F92 PolarHBondContact N-O 2.79Å; F80-F92 PolarHBondContact O-N 2.9Å; V82-F92 HydrophobicContact CB-CD2 4.4Å; V82-F92 HydrophobicContact CB-CE2 4Å; V82-F92 HydrophobicContact CG2-CD2 3.87Å; V82-F92 HydrophobicContact CG2-CE2 3.7Å; I90-F92 HydrophobicContact CB-CE2 4.02Å; I90-F92 HydrophobicContact CG2-CD2 4.3Å; I90-F92 HydrophobicContact CG2-CE1 4.49Å; I90-F92 HydrophobicContact CG2-CE2 3.53Å; I90-F92 HydrophobicContact CG2-CZ 3.66Å; I90-F92 WeakPolarHBondContact O-CD2 3.32Å
93R95.3Very high90.8Very high58 Ų5860.4 Ų60.422%0.21934%0.338CS..EExtended strand (participates in β ladder)trans-145.1154.3164.271.1-178.2-171.4177.23.4112.3E14 W24 M77 V78 Y79E14-R93 HydrophobicContact CB-CG 3.9Å; E14-R93 WeakPolarHBondContact CB-O 3.34Å; E14-R93 PolarHBondContact N-O 3.12Å; E14-R93 PolarHBondContact O-N 3.47Å; E14-R93 IonicContact OE2-CZ 2.66Å; E14-R93 IonicContact OE2-NE 2.9Å; E14-R93 PolarHBondContact OE2-NE 3.3Å; E14-R93 IonicContact OE2-NH2 3.3Å; E14-R93 PolarHBondContact OE2-NH2 3.27Å; W24-R93 HydrophobicContact CD2-CG 3.92Å; W24-R93 HydrophobicContact CE3-CB 4.38Å; W24-R93 HydrophobicContact CE3-CG 3.6Å; W24-R93 VanDerWaalsContact CG-NE 3.32Å; W24-R93 HydrophobicContact CH2-CB 4.21Å; W24-R93 HydrophobicContact CH2-CG 4.19Å; W24-R93 HydrophobicContact CZ2-CG 4.49Å; W24-R93 HydrophobicContact CZ3-CB 4.02Å; W24-R93 HydrophobicContact CZ3-CG 3.75Å; M77-R93 HydrophobicContact CE-CB 4.05Å; M77-R93 HydrophobicContact CE-CG 3.64Å; V78-R93 CarbonylContact O-C 3.58Å; V78-R93 WeakPolarHBondContact O-CA 3.42Å; V78-R93 VanDerWaalsContact O-CB 3.28Å; V78-R93 WeakPolarHBondContact O-CB 3.4Å; Y79-R93 HydrophobicContact CD1-CB 3.77Å; Y79-R93 HydrophobicContact CE1-CB 4Å; Y79-R93 VanDerWaalsContact CE1-CD 3.47Å; Y79-R93 HydrophobicContact CE1-CG 4.35Å; Y79-R93 HydrophobicContact CG-CB 4.18Å
94C93.7Very high90.8Very high8 Ų862.4 Ų62.45%0.05435%0.347CS..EExtended strand (participates in β ladder)trans-147164.5172.8490000110.9L13 M77 V78 T99L13-C94 HydrophobicContact CD1-CB 3.68Å; M77-C94 CarbonylContact C-O 3.57Å; M77-C94 VanDerWaalsContact CA-O 3.3Å; M77-C94 WeakPolarHBondContact CA-O 3.32Å; V78-C94 PolarHBondContact N-O 2.96Å; V78-C94 PolarHBondContact O-N 3Å; C94-T99 WeakPolarHBondContact CB-OG1 3.38Å; C94-T99 PolarHBondContact SG-OG1 3.37Å
95A92Very high90.7Very high53 Ų5361.6 Ų61.644%0.43834%0.343SS..EExtended strand (participates in β ladder)trans-62.1140.5168.100000110E76 M77 E97 T99E76-A95 WeakPolarHBondContact O-CA 3.27Å; M77-A95 HydrophobicContact SD-CB 4.44Å; A95-E97 VanDerWaalsContact C-N 3.31Å; A95-T99 PolarHBondContact O-OG1 2.82Å
96Q86Confident90.8Very high97 Ų9761.2 Ų61.245%0.45334%0.34SS..SBendtrans-67.5-33.7178.8-176.9175.7-3.500111.9Y73 E76 V78 G98Y73-Q96 HydrophobicContact CD1-CG 4.2Å; Y73-Q96 HydrophobicContact CE1-CG 4.42Å; E76-Q96 WeakPolarHBondContact O-CB 3.41Å; E76-Q96 PolarHBondContact O-N 2.82Å; V78-Q96 HydrophobicContact CG2-CB 4Å; V78-Q96 HydrophobicContact CG2-CG 4.22Å; Q96-G98 PolarHBondContact O-N 3.01Å
97E81.4Confident90.9Very high184 Ų18455.8 Ų55.886%0.8632%0.32SS*.THydrogen-bonded Turntrans-72.8120.7-179-162.3172.4-165.300111.2A95 T99A95-E97 VanDerWaalsContact C-N 3.31Å; E97-T99 VanDerWaalsContact C-N 3.3Å; E97-T99 PolarHBondContact O-N 3.11Å
98G63Low91.2Very high73 Ų7353.7 Ų53.775%0.75330%0.298SS*.THydrogen-bonded Turntrans75.61.2171.400000116.9R9 Q96R9-G98 PolarHBondContact NH2-O 2.75Å; Q96-G98 PolarHBondContact O-N 3.01Å
99T70.1Confident91.4Very high31 Ų3148.2 Ų48.219%0.1928%0.275CS..  trans-132.8122.8179.679.40000113.9C94 A95 E97C94-T99 WeakPolarHBondContact CB-OG1 3.38Å; C94-T99 PolarHBondContact SG-OG1 3.37Å; A95-T99 PolarHBondContact O-OG1 2.82Å; E97-T99 VanDerWaalsContact C-N 3.3Å; E97-T99 PolarHBondContact O-N 3.11Å
100L86.8Confident91.5Very high104 Ų10445.9 Ų45.955%0.54527%0.268SS..  trans-115.243.9-179.5-63.1177.7000111N102 A103 E104L100-N102 VanDerWaalsContact C-N 3.33Å; L100-N102 PolarHBondContact O-N 3.03Å; L100-A103 HydrophobicContact CB-CB 4.33Å; L100-A103 PolarHBondContact O-N 3.34Å; L100-A103 VanDerWaalsContact O-N 3.12Å; L100-E104 PolarHBondContact O-N 3.44Å
101W94.8Very high91.5Very high1 Ų152.5 Ų52.50%0.00429%0.293CS..Hα-helixtrans-54.4-45.5-173-85.8107000113.2R9 L12 L13 C29 L31 L36 F80 A103 E104 I105R9-W101 HydrophobicContact CB-CH2 4.28Å; R9-W101 HydrophobicContact CB-CZ3 4.35Å; R9-W101 HydrophobicContact CG-CH2 3.76Å; R9-W101 HydrophobicContact CG-CZ2 3.95Å; R9-W101 HydrophobicContact CG-CZ3 4.14Å; L12-W101 PolarHBondContact O-NE1 2.77Å; L12-W101 VanDerWaalsContact O-NE1 3.13Å; L13-W101 HydrophobicContact CD1-CB 3.96Å; L13-W101 HydrophobicContact CD1-CD2 4.33Å; L13-W101 HydrophobicContact CD1-CG 3.74Å; L13-W101 HydrophobicContact CD2-CD2 4.43Å; L13-W101 HydrophobicContact CD2-CG 4.49Å; C29-W101 HydrophobicContact CB-CH2 3.51Å; C29-W101 HydrophobicContact CB-CZ2 3.97Å; C29-W101 HydrophobicContact CB-CZ3 3.94Å; C29-W101 WeakPolarHBondContact O-CH2 3.38Å; L31-W101 HydrophobicContact CB-CZ3 4.08Å; L36-W101 HydrophobicContact CD1-CE3 4.49Å; L36-W101 HydrophobicContact CD1-CZ3 3.82Å; F80-W101 HydrophobicContact CE1-CB 4.14Å; F80-W101 HydrophobicContact CZ-CB 3.96Å; W101-A103 PolarHBondContact O-N 3Å; W101-E104 PolarHBondContact O-N 2.84Å; W101-I105 HydrophobicContact CE3-CD1 4.16Å; W101-I105 HydrophobicContact CE3-CG1 4.39Å; W101-I105 WeakPolarHBondContact O-CB 3.49Å; W101-I105 VanDerWaalsContact O-CD1 3.31Å; W101-I105 WeakPolarHBondContact O-CD1 3.38Å; W101-I105 WeakPolarHBondContact O-CG1 3.49Å; W101-I105 PolarHBondContact O-N 3.02Å
102N94.8Very high91.5Very high14 Ų1453.4 Ų53.48%0.07530%0.295CS..Hα-helixtrans-58.1-47.5177.861.8-53.7000111.7V68 V71 F80 L100 A106V68-N102 HydrophobicContact CG1-CB 4.5Å; V71-N102 VanDerWaalsContact CG1-ND2 3.32Å; V71-N102 WeakPolarHBondContact CG1-ND2 3.36Å; V71-N102 HydrophobicContact CG2-CB 4.25Å; F80-N102 HydrophobicContact CB-CB 4Å; F80-N102 HydrophobicContact CD1-CB 3.83Å; F80-N102 HydrophobicContact CD2-CB 4.11Å; F80-N102 HydrophobicContact CE1-CB 4.23Å; F80-N102 HydrophobicContact CE2-CB 4.5Å; F80-N102 HydrophobicContact CG-CB 3.73Å; L100-N102 VanDerWaalsContact C-N 3.33Å; L100-N102 PolarHBondContact O-N 3.03Å; N102-A106 VanDerWaalsContact O-CB 3.3Å; N102-A106 WeakPolarHBondContact O-CB 3.5Å; N102-A106 PolarHBondContact O-N 2.81Å
103A93.9Very high91.5Very high38 Ų3857.6 Ų57.631%0.31431%0.313SS..Hα-helixtrans-67.3-42.6-178.100000111.6L100 W101 A106 L107L100-A103 HydrophobicContact CB-CB 4.33Å; L100-A103 PolarHBondContact O-N 3.34Å; L100-A103 VanDerWaalsContact O-N 3.12Å; W101-A103 PolarHBondContact O-N 3Å; A103-A106 PolarHBondContact O-N 2.96Å; A103-L107 WeakPolarHBondContact O-CB 3.3Å; A103-L107 VanDerWaalsContact O-CG 3.27Å; A103-L107 WeakPolarHBondContact O-CG 3.45Å; A103-L107 PolarHBondContact O-N 2.82Å
104E95.4Very high91.6Very high52 Ų5259.3 Ų59.324%0.24333%0.327CS..Hα-helixtrans-69-39.2179.2-73.7174126.300112.8R9 L31 L100 W101 A108R9-E104 WeakPolarHBondContact CD-OE2 3.27Å; R9-E104 IonicContact CZ-OE2 3.77Å; R9-E104 IonicContact NE-OE2 3.47Å; R9-E104 PolarHBondContact NE-OE2 3.13Å; R9-E104 VanDerWaalsContact NH1-CD 3.34Å; R9-E104 IonicContact NH1-OE1 3.34Å; R9-E104 PolarHBondContact NH1-OE1 3.34Å; R9-E104 IonicContact NH1-OE2 2.69Å; R9-E104 PolarHBondContact NH1-OE2 2.98Å; L31-E104 HydrophobicContact CD2-CB 3.92Å; L100-E104 PolarHBondContact O-N 3.44Å; W101-E104 PolarHBondContact O-N 2.84Å; E104-A108 WeakPolarHBondContact O-CB 3.26Å; E104-A108 PolarHBondContact O-N 3.03Å
105I97.2Very high91.7Very high0 Ų062.9 Ų62.90%034%0.343CS..Hα-helixtrans-63.1-45.5173.7-64.4162.8000109.6L31 L36 F62 M65 V68 F80 W101 A108 L109L31-I105 HydrophobicContact CD1-CG1 4.03Å; L31-I105 HydrophobicContact CD2-CG1 4.17Å; L36-I105 HydrophobicContact CD2-CD1 3.92Å; F62-I105 HydrophobicContact CE1-CG2 4.39Å; M65-I105 HydrophobicContact CE-CG2 4.39Å; M65-I105 HydrophobicContact SD-CG2 4.02Å; V68-I105 HydrophobicContact CG2-CB 4.35Å; V68-I105 HydrophobicContact CG2-CG2 3.68Å; F80-I105 HydrophobicContact CE2-CD1 3.82Å; F80-I105 HydrophobicContact CZ-CD1 4.03Å; W101-I105 HydrophobicContact CE3-CD1 4.16Å; W101-I105 HydrophobicContact CE3-CG1 4.39Å; W101-I105 WeakPolarHBondContact O-CB 3.49Å; W101-I105 VanDerWaalsContact O-CD1 3.31Å; W101-I105 WeakPolarHBondContact O-CD1 3.38Å; W101-I105 WeakPolarHBondContact O-CG1 3.49Å; W101-I105 PolarHBondContact O-N 3.02Å; I105-A108 PolarHBondContact O-N 2.89Å; I105-L109 WeakPolarHBondContact O-CB 3.38Å; I105-L109 PolarHBondContact O-N 2.8Å
106A96.8Very high91.7Very high35 Ų3563.4 Ų63.429%0.28934%0.336SS..Hα-helixtrans-61.2-47.7178.400000111.9V68 N102 A103 A108 L109 V110V68-A106 HydrophobicContact CB-CB 4.26Å; V68-A106 HydrophobicContact CG2-CB 4.33Å; N102-A106 VanDerWaalsContact O-CB 3.3Å; N102-A106 WeakPolarHBondContact O-CB 3.5Å; N102-A106 PolarHBondContact O-N 2.81Å; A103-A106 PolarHBondContact O-N 2.96Å; A106-A108 PolarHBondContact O-N 2.98Å; A106-L109 PolarHBondContact O-N 3.11Å; A106-V110 WeakPolarHBondContact O-CG2 3.28Å; A106-V110 PolarHBondContact O-N 2.98Å
107L96.8Very high92.1Very high95 Ų9561.5 Ų61.550%0.49734%0.337SS..Hα-helixtrans-62.9-41.4177.8-73.9172.5000112A103 V110 R111A103-L107 WeakPolarHBondContact O-CB 3.3Å; A103-L107 VanDerWaalsContact O-CG 3.27Å; A103-L107 WeakPolarHBondContact O-CG 3.45Å; A103-L107 PolarHBondContact O-N 2.82Å; L107-V110 PolarHBondContact O-N 2.81Å; L107-R111 WeakPolarHBondContact O-CB 3.33Å; L107-R111 VanDerWaalsContact O-CG 3.27Å; L107-R111 WeakPolarHBondContact O-CG 3.45Å; L107-R111 PolarHBondContact O-N 2.82Å
108A97.3Very high92.6Very high4 Ų458 Ų583%0.03332%0.324CS..Hα-helixtrans-65-41.1176.500000111.8I8 L31 F62 E104 I105 A106 R111 Y112I8-A108 HydrophobicContact CD1-CB 3.74Å; L31-A108 HydrophobicContact CD1-CB 4.41Å; L31-A108 HydrophobicContact CD2-CB 4.28Å; F62-A108 HydrophobicContact CE2-CB 3.73Å; F62-A108 HydrophobicContact CZ-CB 3.46Å; F62-A108 VanDerWaalsContact CZ-CB 3.46Å; E104-A108 WeakPolarHBondContact O-CB 3.26Å; E104-A108 PolarHBondContact O-N 3.03Å; I105-A108 PolarHBondContact O-N 2.89Å; A106-A108 PolarHBondContact O-N 2.98Å; A108-R111 PolarHBondContact O-N 2.87Å; A108-Y112 WeakPolarHBondContact O-CB 3.44Å; A108-Y112 PolarHBondContact O-N 2.99Å
109L98.1Very high93.8Very high8 Ų861.4 Ų61.44%0.04231%0.314CS..Hα-helixtrans-62.1-46174.9179.561.7000111.9F62 M65 I105 A106 Y112 K113F62-L109 HydrophobicContact CB-CD1 3.85Å; F62-L109 HydrophobicContact CD1-CB 4.16Å; F62-L109 HydrophobicContact CD1-CD1 3.75Å; F62-L109 HydrophobicContact CE1-CB 4.18Å; F62-L109 HydrophobicContact CG-CD1 3.98Å; M65-L109 HydrophobicContact CB-CD1 3.97Å; M65-L109 HydrophobicContact CB-CD2 4.44Å; M65-L109 HydrophobicContact CG-CD1 4.27Å; M65-L109 HydrophobicContact CG-CD2 3.89Å; M65-L109 HydrophobicContact SD-CD1 4.33Å; M65-L109 HydrophobicContact SD-CD2 3.92Å; I105-L109 WeakPolarHBondContact O-CB 3.38Å; I105-L109 PolarHBondContact O-N 2.8Å; A106-L109 PolarHBondContact O-N 3.11Å; L109-Y112 PolarHBondContact O-N 2.87Å; L109-K113 HydrophobicContact CD1-CD 4.39Å; L109-K113 HydrophobicContact CD1-CG 4.35Å; L109-K113 HydrophobicContact CG-CD 4.41Å; L109-K113 WeakPolarHBondContact O-CG 3.45Å; L109-K113 PolarHBondContact O-N 2.89Å
110V97.7Very high94.5Very high75 Ų7563.4 Ų63.446%0.45533%0.326SS..Hα-helixtrans-60.4-46.71771690000110.6A106 L107 Y112 K113 N114A106-V110 WeakPolarHBondContact O-CG2 3.28Å; A106-V110 PolarHBondContact O-N 2.98Å; L107-V110 PolarHBondContact O-N 2.81Å; V110-Y112 VanDerWaalsContact C-N 3.34Å; V110-Y112 PolarHBondContact O-N 2.79Å; V110-K113 PolarHBondContact O-N 2.82Å; V110-N114 WeakPolarHBondContact O-CB 3.37Å; V110-N114 PolarHBondContact O-N 2.7Å; V110-N114 PolarHBondContact O-OD1 3.18Å
111R97.1Very high94.1Very high148 Ų14859.5 Ų59.556%0.55831%0.311SS*.Hα-helixtrans-57.9-46.6176-73.9171.2-176.8166.52.1111.6L107 A108 N114 Q115L107-R111 WeakPolarHBondContact O-CB 3.33Å; L107-R111 VanDerWaalsContact O-CG 3.27Å; L107-R111 WeakPolarHBondContact O-CG 3.45Å; L107-R111 PolarHBondContact O-N 2.82Å; A108-R111 PolarHBondContact O-N 2.87Å; R111-N114 PolarHBondContact O-N 2.82Å; R111-Q115 WeakPolarHBondContact O-CG 3.46Å; R111-Q115 PolarHBondContact O-N 2.96Å
112Y97.3Very high93.1Very high42 Ų4268.1 Ų68.117%0.16534%0.344CS..Hα-helixtrans-58.6-50.8177.4178.9-91.6000111.5E33 F62 A108 L109 V110 N114 Q115 Q116E33-Y112 WeakPolarHBondContact O-CD2 3.43Å; F62-Y112 HydrophobicContact CB-CD1 3.56Å; F62-Y112 HydrophobicContact CB-CD2 4.17Å; F62-Y112 HydrophobicContact CB-CE1 3.96Å; F62-Y112 HydrophobicContact CB-CG 3.68Å; F62-Y112 HydrophobicContact CD2-CD2 4.15Å; F62-Y112 AromaticContact CD2-CG 3.94Å; F62-Y112 HydrophobicContact CD2-CG 3.94Å; F62-Y112 HydrophobicContact CG-CG 4.27Å; A108-Y112 WeakPolarHBondContact O-CB 3.44Å; A108-Y112 PolarHBondContact O-N 2.99Å; L109-Y112 PolarHBondContact O-N 2.87Å; V110-Y112 VanDerWaalsContact C-N 3.34Å; V110-Y112 PolarHBondContact O-N 2.79Å; Y112-N114 PolarHBondContact O-N 3.41Å; Y112-Q115 PolarHBondContact O-N 3.13Å; Y112-Q116 HydrophobicContact CD1-CG 4.2Å; Y112-Q116 HydrophobicContact CE1-CG 3.8Å; Y112-Q116 WeakPolarHBondContact O-CG 3.5Å; Y112-Q116 PolarHBondContact O-N 3.05Å
113K96.6Very high91.9Very high89 Ų8970.8 Ų70.839%0.38736%0.36SS..Hα-helixtrans-62.7-40.4179.9-72.2-175177.3-177.40112.5E66 L109 V110 Q115 Q116 A117E66-K113 PolarHBondContact O-NZ 3.11Å; L109-K113 HydrophobicContact CD1-CD 4.39Å; L109-K113 HydrophobicContact CD1-CG 4.35Å; L109-K113 HydrophobicContact CG-CD 4.41Å; L109-K113 WeakPolarHBondContact O-CG 3.45Å; L109-K113 PolarHBondContact O-N 2.89Å; V110-K113 PolarHBondContact O-N 2.82Å; K113-Q115 PolarHBondContact O-N 3.13Å; K113-Q116 PolarHBondContact O-N 3.13Å; K113-A117 WeakPolarHBondContact O-CB 3.07Å; K113-A117 PolarHBondContact O-N 2.8Å
114N96.8Very high90.6Very high94 Ų9477.8 Ų77.850%0.50338%0.379SS..Hα-helixtrans-62.7-42.1176.3-71.4-5.1000111.7V110 R111 Y112 Q116 A117 L118V110-N114 WeakPolarHBondContact O-CB 3.37Å; V110-N114 PolarHBondContact O-N 2.7Å; V110-N114 PolarHBondContact O-OD1 3.18Å; R111-N114 PolarHBondContact O-N 2.82Å; Y112-N114 PolarHBondContact O-N 3.41Å; N114-Q116 PolarHBondContact O-N 3.02Å; N114-A117 PolarHBondContact O-N 3.46Å; N114-L118 WeakPolarHBondContact O-CG 3.18Å; N114-L118 PolarHBondContact O-N 2.96Å
115Q95.1Very high89.2Confident84 Ų8482.3 Ų82.339%0.39340%0.4SS..Hα-helixtrans-62.9-41.1175.1-72.4175-300112.1R111 Y112 K113 L118 R119R111-Q115 WeakPolarHBondContact O-CG 3.46Å; R111-Q115 PolarHBondContact O-N 2.96Å; Y112-Q115 PolarHBondContact O-N 3.13Å; K113-Q115 PolarHBondContact O-N 3.13Å; Q115-L118 PolarHBondContact O-N 3.46Å; Q115-R119 VanDerWaalsContact O-CG 3.28Å; Q115-R119 WeakPolarHBondContact O-CG 3.4Å; Q115-R119 PolarHBondContact O-N 3.11Å
116Q93.7Very high87.5Confident63 Ų6389 Ų8929%0.29444%0.435SS..Hα-helixtrans-63.8-44.1175.4-64.1-59.2-30.400111.5Y112 K113 N114 L118 R119 T120Y112-Q116 HydrophobicContact CD1-CG 4.2Å; Y112-Q116 HydrophobicContact CE1-CG 3.8Å; Y112-Q116 WeakPolarHBondContact O-CG 3.5Å; Y112-Q116 PolarHBondContact O-N 3.05Å; K113-Q116 PolarHBondContact O-N 3.13Å; N114-Q116 PolarHBondContact O-N 3.02Å; Q116-L118 PolarHBondContact O-N 2.9Å; Q116-R119 PolarHBondContact O-N 3.32Å; Q116-T120 WeakPolarHBondContact O-CG2 3.44Å; Q116-T120 PolarHBondContact O-N 2.63Å; Q116-T120 PolarHBondContact O-OG1 3.33Å; Q116-T120 VanDerWaalsContact O-OG1 3.12Å
117A92.9Very high85.7Confident58 Ų5897 Ų9748%0.47946%0.459SS..Hα-helixtrans-61-41.3177.200000112.5K113 N114 T120 G121K113-A117 WeakPolarHBondContact O-CB 3.07Å; K113-A117 PolarHBondContact O-N 2.8Å; N114-A117 PolarHBondContact O-N 3.46Å; A117-T120 PolarHBondContact O-OG1 3.31Å; A117-T120 VanDerWaalsContact O-OG1 3.12Å; A117-G121 PolarHBondContact O-N 3.49Å
118L92.1Very high83.8Confident111 Ų11197.4 Ų97.458%0.58147%0.466SS*.Hα-helixtrans-64.7-40.2175-72.4172.2000112.3N114 Q115 Q116 R122N114-L118 WeakPolarHBondContact O-CG 3.18Å; N114-L118 PolarHBondContact O-N 2.96Å; Q115-L118 PolarHBondContact O-N 3.46Å; Q116-L118 PolarHBondContact O-N 2.9Å; L118-R122 WeakPolarHBondContact O-CB 2.75Å; L118-R122 WeakPolarHBondContact O-CG 3.15Å; L118-R122 PolarHBondContact O-N 2.78Å
119R87.9Confident81.5Confident144 Ų144100.5 Ų100.554%0.54349%0.491SS..Hα-helixtrans-64.5-50.6177.1-72.5171-176.5173.51.6110.9Q115 Q116 G121 R122 T123Q115-R119 VanDerWaalsContact O-CG 3.28Å; Q115-R119 WeakPolarHBondContact O-CG 3.4Å; Q115-R119 PolarHBondContact O-N 3.11Å; Q116-R119 PolarHBondContact O-N 3.32Å; R119-G121 VanDerWaalsContact C-N 3.35Å; R119-G121 PolarHBondContact O-N 3.24Å; R119-R122 PolarHBondContact O-N 2.82Å; R119-T123 PolarHBondContact O-N 2.89Å; R119-T123 PolarHBondContact O-OG1 2.91Å
120T85.5Confident79.3Confident72 Ų72105.9 Ų105.944%0.44253%0.527SS..Hα-helixtrans-66.4-36.3179.856.50000112.3Q116 A117 T123 R124Q116-T120 WeakPolarHBondContact O-CG2 3.44Å; Q116-T120 PolarHBondContact O-N 2.63Å; Q116-T120 PolarHBondContact O-OG1 3.33Å; Q116-T120 VanDerWaalsContact O-OG1 3.12Å; A117-T120 PolarHBondContact O-OG1 3.31Å; A117-T120 VanDerWaalsContact O-OG1 3.12Å; T120-T123 PolarHBondContact O-N 3.49Å; T120-R124 WeakPolarHBondContact O-CG 3.39Å; T120-R124 PolarHBondContact O-N 2.85Å
121G79.3Confident77.3Confident23 Ų23110.6 Ų110.624%0.23755%0.548CS..Hα-helixtrans-62.1-48.7173.100000112.5A117 R119 T123 R124 H125A117-G121 PolarHBondContact O-N 3.49Å; R119-G121 VanDerWaalsContact C-N 3.35Å; R119-G121 PolarHBondContact O-N 3.24Å; G121-T123 VanDerWaalsContact C-N 3.33Å; G121-T123 PolarHBondContact O-N 2.8Å; G121-R124 PolarHBondContact O-N 2.7Å; G121-H125 PolarHBondContact O-CD2 3.04Å; G121-H125 PolarHBondContact O-N 3.48Å
122R73.6Confident75.1Confident181 Ų181106.8 Ų106.868%0.68356%0.555SS**Hα-helixtrans-59.1-43.4174.7-78.3177.8178.2167.7-0.2112.2L118 R119 R124 H125 L126L118-R122 WeakPolarHBondContact O-CB 2.75Å; L118-R122 WeakPolarHBondContact O-CG 3.15Å; L118-R122 PolarHBondContact O-N 2.78Å; R119-R122 PolarHBondContact O-N 2.82Å; R122-R124 VanDerWaalsContact C-N 3.33Å; R122-R124 PolarHBondContact O-N 2.92Å; R122-H125 PolarHBondContact O-N 2.8Å; R122-L126 WeakPolarHBondContact O-CG 3.42Å; R122-L126 PolarHBondContact O-N 3.31Å
123T68.3Low73Confident70 Ų70110.4 Ų110.443%0.42959%0.586SS.*Hα-helixtrans-58.5-45175.7-58.50000111.3R119 T120 G121 H125 L126 Y127R119-T123 PolarHBondContact O-N 2.89Å; R119-T123 PolarHBondContact O-OG1 2.91Å; T120-T123 PolarHBondContact O-N 3.49Å; G121-T123 VanDerWaalsContact C-N 3.33Å; G121-T123 PolarHBondContact O-N 2.8Å; T123-H125 PolarHBondContact O-N 2.89Å; T123-L126 PolarHBondContact O-N 3.43Å; T123-Y127 HydrophobicContact CG2-CD2 3.69Å; T123-Y127 HydrophobicContact CG2-CE2 3.42Å; T123-Y127 VanDerWaalsContact CG2-CE2 3.42Å; T123-Y127 WeakPolarHBondContact O-CD2 3.4Å; T123-Y127 PolarHBondContact O-N 3.46Å
124R68.3Low70.8Confident185 Ų185112.9 Ų112.970%0.69861%0.609SS**Hα-helixtrans-60.8-42.5175.7-72.1175-178.7179-0.1112.5T120 G121 R122 L126 Y127 T128T120-R124 WeakPolarHBondContact O-CG 3.39Å; T120-R124 PolarHBondContact O-N 2.85Å; G121-R124 PolarHBondContact O-N 2.7Å; R122-R124 VanDerWaalsContact C-N 3.33Å; R122-R124 PolarHBondContact O-N 2.92Å; R124-L126 VanDerWaalsContact C-N 3.35Å; R124-L126 PolarHBondContact O-N 2.87Å; R124-Y127 PolarHBondContact O-N 3.07Å; R124-T128 WeakPolarHBondContact O-CB 3.35Å; R124-T128 PolarHBondContact O-N 2.98Å; R124-T128 VanDerWaalsContact O-N 3.1Å; R124-T128 PolarHBondContact O-OG1 3.01Å
125H64.1Low68.7Low148 Ų148111.2 Ų111.269%0.68562%0.615SS**Hα-helixtrans-64.2-37.6177.7-73.9-64.8000113G121 R122 T123 T128 A129G121-H125 PolarHBondContact O-CD2 3.04Å; G121-H125 PolarHBondContact O-N 3.48Å; R122-H125 PolarHBondContact O-N 2.8Å; T123-H125 PolarHBondContact O-N 2.89Å; H125-T128 PolarHBondContact O-N 2.75Å; H125-A129 PolarHBondContact O-N 3.29Å
126L63Low66.7Low141 Ų141116.8 Ų116.874%0.73864%0.641SS**Hα-helixtrans-68.1-34.3177.5-69.3171.6000113R122 T123 R124R122-L126 WeakPolarHBondContact O-CG 3.42Å; R122-L126 PolarHBondContact O-N 3.31Å; T123-L126 PolarHBondContact O-N 3.43Å; R124-L126 VanDerWaalsContact C-N 3.35Å; R124-L126 PolarHBondContact O-N 2.87Å
127Y58.2Low64.6Low202 Ų202121.3 Ų121.379%0.79267%0.667SS**Hα-helixtrans-82.9-10.2175.8-71.4-66.6000114.2T123 R124T123-Y127 HydrophobicContact CG2-CD2 3.69Å; T123-Y127 HydrophobicContact CG2-CE2 3.42Å; T123-Y127 VanDerWaalsContact CG2-CE2 3.42Å; T123-Y127 WeakPolarHBondContact O-CD2 3.4Å; T123-Y127 PolarHBondContact O-N 3.46Å; R124-Y127 PolarHBondContact O-N 3.07Å
128T57.4Low62.5Low104 Ų104127.3 Ų127.364%0.63869%0.685SS**THydrogen-bonded Turntrans-108.310.7179.6-370000112.2R124 H125 P130R124-T128 WeakPolarHBondContact O-CB 3.35Å; R124-T128 PolarHBondContact O-N 2.98Å; R124-T128 VanDerWaalsContact O-N 3.1Å; R124-T128 PolarHBondContact O-OG1 3.01Å; H125-T128 PolarHBondContact O-N 2.75Å; T128-P130 WeakPolarHBondContact O-CD 3.47Å
129A48.6Very low60.2Low69 Ų69128.8 Ų128.857%0.5770%0.698SS**SBendtrans-59.3123169.700000108.1H125 L131H125-A129 PolarHBondContact O-N 3.29Å; A129-L131 PolarHBondContact O-N 3.42Å
130P51.3Low58.2Low121 Ų121133.5 Ų133.579%0.78673%0.733SS**  trans-59.5118.8178.2-18.129.4000108.3T128 G132T128-P130 WeakPolarHBondContact O-CD 3.47Å; P130-G132 PolarHBondContact O-N 3.12Å
131L57.2Low56.8Low173 Ų173136.6 Ų136.691%0.90675%0.747SS**  trans-53.4111.1155.8-84.7150.4000105.4A129 S133A129-L131 PolarHBondContact O-N 3.42Å; L131-S133 PolarHBondContact O-N 2.87Å
132G50.2Low55.6Low69 Ų69142.5 Ų142.571%0.71177%0.774SS**  trans-51.6106.2-177.600000109.9P130 T134P130-G132 PolarHBondContact O-N 3.12Å; G132-T134 VanDerWaalsContact C-N 3.32Å; G132-T134 PolarHBondContact O-N 3.14Å
133S53Low54.6Low117 Ų117140.4 Ų140.482%0.81878%0.779SS**  trans-74.892.6159.9177.30000106.5L131L131-S133 PolarHBondContact O-N 2.87Å
134T50.1Low53.8Low141 Ų141144.5 Ų144.587%0.86580%0.8SS**  trans-12075157.154.30000106.7G132G132-T134 VanDerWaalsContact C-N 3.32Å; G132-T134 PolarHBondContact O-N 3.14Å
135G53.9Low52.9Low60 Ų60142 Ų14262%0.61981%0.806SS**  trans-113.894.6160.200000106.9
136E51.8Low52.2Low201 Ų201141.6 Ų141.694%0.93981%0.814SS**  trans-144.688.2149.9-69.1-167.3148.900106
137D50.3Low51.4Low157 Ų157141.6 Ų141.684%0.8482%0.82SS**  trans-70138.2162.6-75.1-48.9000109.4
138E48.1Very low50.9Low184 Ų184137 Ų13786%0.8682%0.822SS**  trans27.1107.4155.8-71-174.8144.500119.5
139V45.2Very low50.3Low142 Ų142139.8 Ų139.886%0.86184%0.837SS**  trans-137.3107.9131.3-176.90000108.2
140L44.1Very low50.5Low243 Ų243146.2 Ų146.2100%1.27286%0.861SS**  trans-176.30132.6-94.1172.3000110.4

Retrieved 140 of 140 residues in 114.5 ms (Link to these results)

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