A0A075B674_MOUSE Loading...

Immunoglobulin heavy variable 1-78

AlphaFold DB , UniProt , Accession A0A075B674, Species MOUSE (Mus musculus, Mouse), Gene Ighv1-78, Length 98 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
1Q87.1Confident95.4Very high197 Ų197111 Ų11192%0.92160%0.595SS**  0139.40-174.4177.411.400108.1G26Q1-G26 WeakPolarHBondContact O-CA 3.42Å
2V92.6Very high95.4Very high70 Ų70106.6 Ų106.642%0.42458%0.575SS.*  trans-83.3133177174.20000109.6L4 S25 Y27V2-L4 HydrophobicContact CG1-CD1 4.19Å; V2-S25 WeakPolarHBondContact CA-O 3.34Å; V2-Y27 HydrophobicContact CB-CD1 4.46Å; V2-Y27 HydrophobicContact CG1-CD1 3.67Å; V2-Y27 HydrophobicContact CG1-CE1 3.71Å; V2-Y27 HydrophobicContact CG2-CD1 4.11Å
3Q95.9Very high95.3Very high100 Ų100111.7 Ų111.747%0.46759%0.589SS.*EExtended strand (participates in β ladder)trans-140.6141.9177.4-62-178.9-18.400111.6S25Q3-S25 PolarHBondContact N-O 2.98Å; Q3-S25 PolarHBondContact O-N 3.45Å
4L97.1Very high95.3Very high55 Ų55112.1 Ų112.129%0.28860%0.601SS.*EExtended strand (participates in β ladder)trans-121.1115.4170.2-80.469.8000106.9V2 K23 V24 Y27 C96 R98V2-L4 HydrophobicContact CG1-CD1 4.19Å; L4-K23 WeakPolarHBondContact CA-O 3.47Å; L4-V24 HydrophobicContact CG-CG2 4.21Å; L4-Y27 HydrophobicContact CD1-CE1 4.32Å; L4-C96 HydrophobicContact CD2-CB 4.47Å; L4-R98 HydrophobicContact CD2-CB 4.44Å
5Q97.6Very high95.3Very high134 Ų134108.1 Ų108.163%0.62660%0.596SS**EExtended strand (participates in β ladder)trans-112.4117.1-178.1-174.917316.700109.9C22 K23Q5-C22 CarbonylContact O-C 3.59Å; Q5-C22 WeakPolarHBondContact O-CA 3.31Å; Q5-K23 PolarHBondContact N-O 3.01Å; Q5-K23 PolarHBondContact O-N 2.96Å
6Q98Very high95.5Very high55 Ų55103.4 Ų103.426%0.25758%0.576SS.*EExtended strand (participates in β ladder)trans-90.9160.8178.6-72.7179.2-119.100112.6S21 C22 Y94 F95 C96Q6-S21 CarbonylContact C-O 3.57Å; Q6-S21 WeakPolarHBondContact CA-O 3.29Å; Q6-C22 HydrophobicContact CG-CB 4.19Å; Q6-Y94 PolarHBondContact NE2-O 3.39Å; Q6-F95 VanDerWaalsContact OE1-CA 3.3Å; Q6-C96 HydrophobicContact CG-CB 4.48Å; Q6-C96 WeakPolarHBondContact CG-SG 3.1Å
7S97.5Very high95.6Very high48 Ų48100.8 Ų100.834%0.33657%0.566SS.*PPolyproline II helixtrans-61.3156.3166.751.20000111.1S21S7-S21 WeakPolarHBondContact CB-OG 3.43Å; S7-S21 PolarHBondContact N-O 3.2Å; S7-S21 PolarHBondContact OG-N 3.26Å
8D96.7Very high95.7Very high153 Ų15396.3 Ų96.382%0.81854%0.542SS*.PPolyproline II helixtrans-62.5164.6176.7-62.7-45.4000112.4
9A96Very high95.8Very high111 Ų11197.1 Ų97.192%0.91754%0.539SS*.PPolyproline II helixtrans-63.6139.4176.600000111.3
10E95.2Very high95.9Very high120 Ų12093.3 Ų93.356%0.56152%0.517SS*.  trans-125.3136.5-179.1-163.5178.7153.600110.8V12 V18E10-V12 HydrophobicContact CG-CG1 3.8Å; E10-V12 VanDerWaalsContact OE1-CG1 3.28Å; E10-V12 WeakPolarHBondContact OE1-CG1 3.28Å; E10-V18 HydrophobicContact CB-CG2 4.3Å; E10-V18 VanDerWaalsContact OE2-CG2 3.29Å; E10-V18 WeakPolarHBondContact OE2-CG2 3.15Å
11L95.5Very high96Very high178 Ų17890.3 Ų90.393%0.93250%0.503SS*.  trans-104.1121170.9-69.9173.4000108.9
12V95.3Very high96.5Very high58 Ų5881 Ų8135%0.35246%0.459SS..  trans-126.7156.5-176.1-60.40000111.2E10 A16 L86E10-V12 HydrophobicContact CG-CG1 3.8Å; E10-V12 VanDerWaalsContact OE1-CG1 3.28Å; E10-V12 WeakPolarHBondContact OE1-CG1 3.28Å; V12-A16 HydrophobicContact CB-CB 4.11Å; V12-L86 HydrophobicContact CG2-CD1 3.48Å; V12-L86 VanDerWaalsContact CG2-CD1 3.48Å
13K94.9Very high96.8Very high173 Ų17383.1 Ų83.175%0.75246%0.463SS*.  trans-76.8152.6176.4-64.5-179.7-178.21780110.8G15 A16K13-G15 PolarHBondContact O-N 3.07Å; K13-A16 WeakPolarHBondContact O-CB 3.44Å; K13-A16 PolarHBondContact O-N 2.77Å; K13-A16 VanDerWaalsContact O-N 3.07Å
14P94.5Very high96.9Very high118 Ų11878.6 Ų78.677%0.76644%0.442SS*.THydrogen-bonded Turntrans-53140.1168-2534.7000111.6A16P14-A16 PolarHBondContact O-N 3.29Å
15G96.3Very high96.9Very high51 Ų5178.4 Ų78.453%0.52645%0.445SS..THydrogen-bonded Turntrans82-12.7-174.900000114.8K13 L86K13-G15 PolarHBondContact O-N 3.07Å; G15-L86 PolarHBondContact N-O 3.48Å
16A97.4Very high96.8Very high33 Ų3374.6 Ų74.627%0.27344%0.442SS..  trans-70171.8175.600000112V12 K13 P14 S85 L86V12-A16 HydrophobicContact CB-CB 4.11Å; K13-A16 WeakPolarHBondContact O-CB 3.44Å; K13-A16 PolarHBondContact O-N 2.77Å; K13-A16 VanDerWaalsContact O-N 3.07Å; P14-A16 PolarHBondContact O-N 3.29Å; A16-S85 PolarHBondContact O-N 3.09Å; A16-L86 WeakPolarHBondContact O-CB 3.36Å; A16-L86 WeakPolarHBondContact O-CG 3.17Å; A16-L86 PolarHBondContact O-N 2.87Å
17S96.9Very high96.6Very high59 Ų5974 Ų7441%0.41344%0.438SS..  trans-119.7147.3172.1-530000109.4L83 N84S17-L83 CarbonylContact C-O 3.57Å; S17-L83 WeakPolarHBondContact CA-O 2.93Å; S17-L83 WeakPolarHBondContact CB-O 3.37Å; S17-N84 WeakPolarHBondContact OG-CA 3.46Å; S17-N84 PolarHBondContact OG-OD1 3.29Å
18V97.3Very high96.6Very high20 Ų2075.4 Ų75.412%0.12145%0.445CS..EExtended strand (participates in β ladder)trans-125.4146.7177.871.30000109.7E10 I20 Q82 L83 L86E10-V18 HydrophobicContact CB-CG2 4.3Å; E10-V18 VanDerWaalsContact OE2-CG2 3.29Å; E10-V18 WeakPolarHBondContact OE2-CG2 3.15Å; V18-I20 HydrophobicContact CG1-CG1 4.43Å; V18-I20 HydrophobicContact CG2-CG1 4.44Å; V18-Q82 CarbonylContact O-C 3.56Å; V18-Q82 VanDerWaalsContact O-CA 3.27Å; V18-Q82 WeakPolarHBondContact O-CA 3.43Å; V18-L83 HydrophobicContact CG1-CB 4.08Å; V18-L83 HydrophobicContact CG1-CD1 4.36Å; V18-L83 PolarHBondContact N-O 2.91Å; V18-L83 PolarHBondContact O-N 2.83Å; V18-L86 HydrophobicContact CB-CD1 4Å; V18-L86 HydrophobicContact CG1-CD1 3.8Å
19K97.7Very high96.6Very high111 Ų11168.4 Ų68.448%0.48341%0.407SS..EExtended strand (participates in β ladder)trans-123.4107.7175.2-172.7178.3-177.9-179.30110.1Y80 M81K19-Y80 HydrophobicContact CD-CD1 4.32Å; K19-Y80 VanDerWaalsContact CE-CD1 3.47Å; K19-Y80 HydrophobicContact CG-CD1 4.25Å; K19-M81 WeakPolarHBondContact CA-O 3.4Å
20I98.2Very high96.7Very high21 Ų2165 Ų6511%0.10838%0.375CS..EExtended strand (participates in β ladder)trans-92129.4180-50.4-174.6000108.6V18 W36 Y80 M81 Y94V18-I20 HydrophobicContact CG1-CG1 4.43Å; V18-I20 HydrophobicContact CG2-CG1 4.44Å; I20-W36 HydrophobicContact CB-CH2 4.26Å; I20-W36 HydrophobicContact CB-CZ3 4.11Å; I20-W36 HydrophobicContact CG2-CH2 3.99Å; I20-W36 HydrophobicContact CG2-CZ3 3.73Å; I20-Y80 CarbonylContact O-C 3.4Å; I20-Y80 VanDerWaalsContact O-CA 3.24Å; I20-Y80 WeakPolarHBondContact O-CA 3.18Å; I20-M81 HydrophobicContact CD1-CE 3.66Å; I20-M81 HydrophobicContact CG1-CE 4.31Å; I20-M81 PolarHBondContact N-O 2.02Å; I20-M81 PolarHBondContact O-N 2.84Å; I20-Y94 HydrophobicContact CD1-CD2 3.99Å; I20-Y94 HydrophobicContact CD1-CG 3.85Å
21S98.4Very high96.7Very high32 Ų3262.6 Ų62.622%0.22437%0.366CS..EExtended strand (participates in β ladder)trans-98.2150.6173.664.70000111.3Q6 S7 A79 Y80Q6-S21 CarbonylContact C-O 3.57Å; Q6-S21 WeakPolarHBondContact CA-O 3.29Å; S7-S21 WeakPolarHBondContact CB-OG 3.43Å; S7-S21 PolarHBondContact N-O 3.2Å; S7-S21 PolarHBondContact OG-N 3.26Å; S21-A79 CarbonylContact C-O 3.49Å; S21-Y80 VanDerWaalsContact CB-CE1 3.49Å
22C98.5Very high96.8Very high0 Ų057.4 Ų57.40%034%0.337CS..EExtended strand (participates in β ladder)trans-136.599.9170.6177.30000109.1Q5 Q6 W36 T78 A79 C96Q5-C22 CarbonylContact O-C 3.59Å; Q5-C22 WeakPolarHBondContact O-CA 3.31Å; Q6-C22 HydrophobicContact CG-CB 4.19Å; C22-W36 HydrophobicContact CB-CH2 3.63Å; C22-W36 HydrophobicContact CB-CZ2 3.85Å; C22-T78 WeakPolarHBondContact O-CA 3.46Å; C22-A79 PolarHBondContact N-O 2.95Å; C22-A79 PolarHBondContact O-N 2.91Å; C22-C96 HydrophobicContact CB-CB 3.48Å; C22-C96 VanDerWaalsContact CB-CB 3.48Å; C22-C96 WeakPolarHBondContact CB-SG 3.16Å; C22-C96 WeakPolarHBondContact SG-CB 3.23Å; C22-C96 CovalentContact SG-SG 2.02Å; C22-C96 PolarHBondContact SG-SG 2.69Å
23K98.1Very high96.9Very high115 Ų11556.7 Ų56.750%0.533%0.332SS..EExtended strand (participates in β ladder)trans-84.8129177.7-173.7175.7-175.9178.90109.8L4 Q5L4-K23 WeakPolarHBondContact CA-O 3.47Å; Q5-K23 PolarHBondContact N-O 3.01Å; Q5-K23 PolarHBondContact O-N 2.96Å
24V97.4Very high97.1Very high5 Ų548.4 Ų48.43%0.0330%0.296CS..EExtended strand (participates in β ladder)trans-106.2137.9-175.5168.60000110L4 Y27 F29 I34 S77L4-V24 HydrophobicContact CG-CG2 4.21Å; V24-Y27 HydrophobicContact CG1-CD1 3.96Å; V24-Y27 HydrophobicContact CG1-CD2 4.36Å; V24-Y27 HydrophobicContact CG1-CE1 3.22Å; V24-Y27 HydrophobicContact CG1-CE2 3.68Å; V24-Y27 HydrophobicContact CG1-CG 4.48Å; V24-Y27 WeakPolarHBondContact CG1-OH 3.27Å; V24-F29 HydrophobicContact CB-CD2 3.71Å; V24-F29 HydrophobicContact CB-CE2 4.21Å; V24-F29 HydrophobicContact CG1-CD2 4Å; V24-F29 HydrophobicContact CG2-CD2 3.75Å; V24-F29 HydrophobicContact CG2-CE2 3.83Å; V24-I34 HydrophobicContact CG2-CD1 3.87Å; V24-S77 PolarHBondContact N-O 3.3Å
25S96.9Very high97.2Very high51 Ų5145.2 Ų45.236%0.35727%0.271SS..EExtended strand (participates in β ladder)trans-142.5160.4170.1720000112.3V2 Q3V2-S25 WeakPolarHBondContact CA-O 3.34Å; Q3-S25 PolarHBondContact N-O 2.98Å; Q3-S25 PolarHBondContact O-N 3.45Å
26G96.1Very high97.4Very high54 Ų5442.8 Ų42.856%0.55725%0.246SC*.SBendtrans89.35176.700000115.9Q1Q1-G26 WeakPolarHBondContact O-CA 3.42Å
27Y94.4Very high97.4Very high42 Ų4242.2 Ų42.217%0.16524%0.238CC..SBendtrans-158.9169170.565.5-91.5000110.9V2 L4 V24 F29 H32 I34 R98V2-Y27 HydrophobicContact CB-CD1 4.46Å; V2-Y27 HydrophobicContact CG1-CD1 3.67Å; V2-Y27 HydrophobicContact CG1-CE1 3.71Å; V2-Y27 HydrophobicContact CG2-CD1 4.11Å; L4-Y27 HydrophobicContact CD1-CE1 4.32Å; V24-Y27 HydrophobicContact CG1-CD1 3.96Å; V24-Y27 HydrophobicContact CG1-CD2 4.36Å; V24-Y27 HydrophobicContact CG1-CE1 3.22Å; V24-Y27 HydrophobicContact CG1-CE2 3.68Å; V24-Y27 HydrophobicContact CG1-CG 4.48Å; V24-Y27 WeakPolarHBondContact CG1-OH 3.27Å; Y27-F29 PolarHBondContact O-N 3.19Å; Y27-F29 VanDerWaalsContact O-N 3.11Å; Y27-H32 AromaticContact CD2-CD2 3.3Å; Y27-H32 WeakPolarHBondContact CD2-CD2 3.39Å; Y27-H32 AromaticContact CD2-NE2 3.96Å; Y27-H32 HydrophobicContact CE2-CB 3.97Å; Y27-H32 AromaticContact CE2-CD2 3.52Å; Y27-H32 AromaticContact CE2-CG 3.97Å; Y27-I34 WeakPolarHBondContact OH-CD1 3.24Å; Y27-R98 VanDerWaalsContact CE1-CD 3.42Å; Y27-R98 VanDerWaalsContact CE2-CD 3.48Å; Y27-R98 WeakPolarHBondContact OH-CD 3.35Å
28T96.3Very high97.4Very high79 Ų7939.7 Ų39.749%0.48522%0.22SC..  trans-68.1104.1174.7-52.70000110.6T30 D31T28-T30 WeakPolarHBondContact CG2-OG1 3.39Å; T28-T30 PolarHBondContact O-N 3.44Å; T28-T30 VanDerWaalsContact O-N 3.1Å; T28-D31 VanDerWaalsContact CB-OD2 3.23Å; T28-D31 WeakPolarHBondContact CB-OD2 3.49Å; T28-D31 HydrophobicContact CG2-CB 4.34Å; T28-D31 WeakPolarHBondContact CG2-OD2 3.32Å; T28-D31 WeakPolarHBondContact O-CB 3.32Å; T28-D31 PolarHBondContact O-N 3.33Å
29F96.9Very high97.3Very high6 Ų642.7 Ų42.73%0.02623%0.232CC..G310 helixtrans-51.4-37.3-176.4176.3-120.8000113.7V24 Y27 D31 I34 P53 A72 A79V24-F29 HydrophobicContact CB-CD2 3.71Å; V24-F29 HydrophobicContact CB-CE2 4.21Å; V24-F29 HydrophobicContact CG1-CD2 4Å; V24-F29 HydrophobicContact CG2-CD2 3.75Å; V24-F29 HydrophobicContact CG2-CE2 3.83Å; Y27-F29 PolarHBondContact O-N 3.19Å; Y27-F29 VanDerWaalsContact O-N 3.11Å; F29-D31 PolarHBondContact O-N 2.82Å; F29-I34 HydrophobicContact CD2-CD1 4.49Å; F29-I34 HydrophobicContact CE2-CD1 4.17Å; F29-I34 HydrophobicContact CE2-CG1 3.78Å; F29-P53 HydrophobicContact CD1-CB 3.78Å; F29-P53 HydrophobicContact CD1-CG 4.15Å; F29-P53 HydrophobicContact CD2-CG 4.16Å; F29-P53 HydrophobicContact CE1-CB 3.45Å; F29-P53 VanDerWaalsContact CE1-CB 3.45Å; F29-P53 HydrophobicContact CE1-CG 3.73Å; F29-P53 HydrophobicContact CE2-CB 4.38Å; F29-P53 HydrophobicContact CE2-CG 3.73Å; F29-P53 HydrophobicContact CG-CB 4.39Å; F29-P53 HydrophobicContact CG-CG 4.37Å; F29-P53 HydrophobicContact CZ-CB 3.78Å; F29-P53 HydrophobicContact CZ-CG 3.49Å; F29-P53 VanDerWaalsContact CZ-CG 3.49Å; F29-A72 HydrophobicContact CE1-CB 4.08Å; F29-A72 HydrophobicContact CZ-CB 4.01Å; F29-A79 HydrophobicContact CE2-CB 4.33Å; F29-A79 HydrophobicContact CZ-CB 4.15Å
30T97.6Very high97.1Very high40 Ų4039.6 Ų39.625%0.24522%0.218CC..G310 helixtrans-75.4-2.618055.30000114.8T28 Y52 R54 K74T28-T30 WeakPolarHBondContact CG2-OG1 3.39Å; T28-T30 PolarHBondContact O-N 3.44Å; T28-T30 VanDerWaalsContact O-N 3.1Å; T30-Y52 WeakPolarHBondContact O-CE2 3.42Å; T30-R54 VanDerWaalsContact O-CB 3.31Å; T30-R54 WeakPolarHBondContact O-CB 3.39Å; T30-R54 PolarHBondContact O-NE 2.92Å; T30-K74 HydrophobicContact CG2-CD 4.39Å; T30-K74 HydrophobicContact CG2-CG 4.11Å
31D96.9Very high96.7Very high69 Ų6944.7 Ų44.737%0.36925%0.252SS..G310 helixtrans-97.6-4.8-177.8-66.9-10.7000113T28 F29 R54T28-D31 VanDerWaalsContact CB-OD2 3.23Å; T28-D31 WeakPolarHBondContact CB-OD2 3.49Å; T28-D31 HydrophobicContact CG2-CB 4.34Å; T28-D31 WeakPolarHBondContact CG2-OD2 3.32Å; T28-D31 WeakPolarHBondContact O-CB 3.32Å; T28-D31 PolarHBondContact O-N 3.33Å; F29-D31 PolarHBondContact O-N 2.82Å; D31-R54 IonicContact OD1-CZ 3.21Å; D31-R54 IonicContact OD1-NE 3.22Å; D31-R54 IonicContact OD1-NH2 3.93Å; D31-R54 PolarHBondContact OD1-NH2 2.62Å
32H96.3Very high96.3Very high69 Ų6951.6 Ų51.632%0.31928%0.281SS..SBendtrans-136.4150-176.4-59.6-87.9000112.6Y27 P53 R98Y27-H32 AromaticContact CD2-CD2 3.3Å; Y27-H32 WeakPolarHBondContact CD2-CD2 3.39Å; Y27-H32 AromaticContact CD2-NE2 3.96Å; Y27-H32 HydrophobicContact CE2-CB 3.97Å; Y27-H32 AromaticContact CE2-CD2 3.52Å; Y27-H32 AromaticContact CE2-CG 3.97Å; H32-P53 WeakPolarHBondContact O-CD 3.49Å; H32-R98 HydrophobicContact CB-CG 3.66Å; H32-R98 PolarHBondContact CD2-NH1 2.84Å; H32-R98 VanDerWaalsContact CD2-NH1 3.28Å; H32-R98 PolarHBondContact CE1-NH1 2.82Å; H32-R98 PolarHBondContact NE2-NH1 2.7Å
33T97.8Very high95.8Very high42 Ų4256.6 Ų56.626%0.25830%0.304SS..  trans-74.9145.3169.345.60000110.9H35 Y50 I51 Y52T33-H35 PolarHBondContact OG1-NE2 3.05Å; T33-H35 VanDerWaalsContact OG1-NE2 3.09Å; T33-Y50 HydrophobicContact CG2-CD2 3.76Å; T33-Y50 HydrophobicContact CG2-CE2 4.08Å; T33-Y50 HydrophobicContact CG2-CG 4.36Å; T33-I51 CarbonylContact C-O 3.53Å; T33-I51 WeakPolarHBondContact CA-O 3.35Å; T33-Y52 HydrophobicContact CG2-CD2 3.99Å; T33-Y52 HydrophobicContact CG2-CG 4.13Å
34I98.3Very high95.4Very high0 Ų052.7 Ų52.70%030%0.296CS..EExtended strand (participates in β ladder)trans-106.6117.7169-52.9-57.3000108.3V24 Y27 F29 Y50 I51 P53 A79 C96 A97V24-I34 HydrophobicContact CG2-CD1 3.87Å; Y27-I34 WeakPolarHBondContact OH-CD1 3.24Å; F29-I34 HydrophobicContact CD2-CD1 4.49Å; F29-I34 HydrophobicContact CE2-CD1 4.17Å; F29-I34 HydrophobicContact CE2-CG1 3.78Å; I34-Y50 CarbonylContact O-C 3.6Å; I34-Y50 WeakPolarHBondContact O-CA 3.43Å; I34-Y50 WeakPolarHBondContact O-CB 3.2Å; I34-I51 HydrophobicContact CB-CG2 4.22Å; I34-I51 PolarHBondContact N-O 2.9Å; I34-I51 PolarHBondContact O-N 2.87Å; I34-P53 HydrophobicContact CG1-CG 4.31Å; I34-A79 HydrophobicContact CB-CB 4.04Å; I34-A79 HydrophobicContact CG1-CB 4.04Å; I34-A79 HydrophobicContact CG2-CB 3.9Å; I34-C96 HydrophobicContact CG2-CB 4.01Å; I34-A97 CarbonylContact C-O 3.59Å; I34-A97 WeakPolarHBondContact CA-O 3.3Å
35H98.5Very high95.3Very high50 Ų5057.6 Ų57.623%0.23132%0.322CS..EExtended strand (participates in β ladder)trans-88.5147.9176.8-66.9-107000109.6T33 M37 W47 G49 Y50 C96 A97T33-H35 PolarHBondContact OG1-NE2 3.05Å; T33-H35 VanDerWaalsContact OG1-NE2 3.09Å; H35-M37 HydrophobicContact CB-CE 3.67Å; H35-M37 HydrophobicContact CB-SD 4.35Å; H35-M37 WeakPolarHBondContact O-CE 3.49Å; H35-W47 AromaticContact ND1-NE1 3.27Å; H35-W47 PolarHBondContact ND1-NE1 3.03Å; H35-G49 WeakPolarHBondContact CA-O 3.4Å; H35-Y50 AromaticContact CE1-CD1 3.96Å; H35-C96 CarbonylContact O-C 3.53Å; H35-C96 VanDerWaalsContact O-CA 3.25Å; H35-C96 WeakPolarHBondContact O-CA 3.49Å; H35-A97 HydrophobicContact CB-CB 4.46Å; H35-A97 PolarHBondContact N-O 3.05Å; H35-A97 PolarHBondContact O-N 3.28Å
36W98.6Very high95.3Very high0 Ų056.4 Ų56.40%031%0.311CS..EExtended strand (participates in β ladder)trans-118.2137.5169.6-6892000111.2I20 C22 I48 G49 L70 A79 M81 F95 C96I20-W36 HydrophobicContact CB-CH2 4.26Å; I20-W36 HydrophobicContact CB-CZ3 4.11Å; I20-W36 HydrophobicContact CG2-CH2 3.99Å; I20-W36 HydrophobicContact CG2-CZ3 3.73Å; C22-W36 HydrophobicContact CB-CH2 3.63Å; C22-W36 HydrophobicContact CB-CZ2 3.85Å; W36-I48 HydrophobicContact CB-CB 4.08Å; W36-I48 HydrophobicContact CB-CD1 4.29Å; W36-I48 HydrophobicContact CB-CG2 4.47Å; W36-I48 WeakPolarHBondContact O-CB 3.34Å; W36-I48 PolarHBondContact O-N 3.3Å; W36-G49 PolarHBondContact N-O 2.93Å; W36-L70 HydrophobicContact CB-CD2 4.49Å; W36-L70 VanDerWaalsContact CD1-CD2 3.48Å; W36-L70 HydrophobicContact CG-CD2 4Å; W36-A79 HydrophobicContact CZ2-CB 4.25Å; W36-M81 HydrophobicContact CB-SD 3.86Å; W36-M81 HydrophobicContact CD2-CB 3.57Å; W36-M81 HydrophobicContact CD2-CG 4.37Å; W36-M81 HydrophobicContact CD2-SD 4.1Å; W36-M81 HydrophobicContact CE3-CB 3.82Å; W36-M81 HydrophobicContact CE3-CE 3.96Å; W36-M81 HydrophobicContact CE3-SD 4.08Å; W36-M81 HydrophobicContact CG-CB 4.06Å; W36-M81 HydrophobicContact CG-CG 4.47Å; W36-M81 HydrophobicContact CG-SD 4.04Å; W36-M81 HydrophobicContact CH2-CB 4.08Å; W36-M81 HydrophobicContact CZ2-CB 3.88Å; W36-M81 HydrophobicContact CZ3-CB 4.07Å; W36-M81 HydrophobicContact CZ3-CE 4.4Å; W36-F95 WeakPolarHBondContact CA-O 3.38Å; W36-C96 HydrophobicContact CD2-CB 4.34Å; W36-C96 HydrophobicContact CE3-CB 4.1Å; W36-C96 HydrophobicContact CH2-CB 4.1Å; W36-C96 HydrophobicContact CZ2-CB 4.31Å; W36-C96 HydrophobicContact CZ3-CB 3.97Å
37M97.8Very high95.3Very high22 Ų2257.6 Ų57.611%0.10830%0.298CS..EExtended strand (participates in β ladder)trans-136.9149-176.4-67114.3-63.900110.1H35 L45 E46 Y94 F95 A97H35-M37 HydrophobicContact CB-CE 3.67Å; H35-M37 HydrophobicContact CB-SD 4.35Å; H35-M37 WeakPolarHBondContact O-CE 3.49Å; M37-L45 HydrophobicContact CB-CD1 3.68Å; M37-L45 HydrophobicContact CB-CG 4.1Å; M37-L45 HydrophobicContact CG-CD1 4.3Å; M37-L45 HydrophobicContact CG-CD2 4.3Å; M37-L45 HydrophobicContact CG-CG 4.24Å; M37-E46 CarbonylContact C-O 3.56Å; M37-E46 VanDerWaalsContact CA-O 3.26Å; M37-E46 WeakPolarHBondContact CA-O 3.42Å; M37-Y94 WeakPolarHBondContact O-CA 3.43Å; M37-F95 WeakPolarHBondContact CE-O 3.33Å; M37-F95 PolarHBondContact N-O 3.47Å; M37-F95 PolarHBondContact O-N 2.75Å; M37-A97 HydrophobicContact CE-CB 3.7Å; M37-A97 HydrophobicContact SD-CB 3.93Å
38K97.2Very high95.5Very high6 Ų655.6 Ų55.63%0.02629%0.291CS..EExtended strand (participates in β ladder)trans-113.5130.3174.7-178.5-178-178.4179.40108.4E46 I48 F64 E89 D90 A92 Y94K38-E46 HydrophobicContact CB-CB 4.43Å; K38-E46 PolarHBondContact N-O 2.93Å; K38-E46 PolarHBondContact O-N 2.82Å; K38-I48 HydrophobicContact CB-CD1 4.08Å; K38-I48 HydrophobicContact CB-CG1 4.23Å; K38-F64 HydrophobicContact CB-CZ 4.31Å; K38-F64 HydrophobicContact CD-CE1 4.01Å; K38-F64 HydrophobicContact CD-CZ 3.83Å; K38-E89 WeakPolarHBondContact CE-O 3.45Å; K38-E89 PolarHBondContact NZ-O 2.61Å; K38-D90 IonicContact NZ-OD1 3.71Å; K38-A92 HydrophobicContact CD-CB 4.18Å; K38-A92 HydrophobicContact CG-CB 3.45Å; K38-A92 VanDerWaalsContact CG-CB 3.45Å; K38-Y94 HydrophobicContact CB-CD1 4.1Å; K38-Y94 HydrophobicContact CB-CE1 3.79Å; K38-Y94 HydrophobicContact CD-CE1 4.09Å; K38-Y94 HydrophobicContact CG-CD1 4.33Å; K38-Y94 HydrophobicContact CG-CE1 3.72Å
39Q96.5Very high95.6Very high82 Ų8251.8 Ų51.838%0.38327%0.267SS..EExtended strand (participates in β ladder)trans-119.1123.6173.5-169.2-178.130.900110.2G44 L45 A92 V93 F95Q39-G44 WeakPolarHBondContact CA-O 3.15Å; Q39-L45 HydrophobicContact CB-CD1 4.06Å; Q39-A92 WeakPolarHBondContact O-CB 3.35Å; Q39-V93 PolarHBondContact N-O 3.35Å; Q39-V93 PolarHBondContact O-N 3.09Å; Q39-F95 HydrophobicContact CB-CD2 4.29Å; Q39-F95 HydrophobicContact CB-CE2 3.69Å; Q39-F95 VanDerWaalsContact OE1-CE2 3.22Å
40R93.6Very high95.7Very high47 Ų4754.7 Ų54.718%0.17728%0.279CS..EExtended strand (participates in β ladder)trans-111.5143166.8-70.9-167.1-80.1-169.9-16.2109.3E42 Q43 G44 E46 E89 A92R40-E42 PolarHBondContact O-N 2.72Å; R40-E42 VanDerWaalsContact O-N 3.16Å; R40-Q43 HydrophobicContact CB-CB 4.23Å; R40-Q43 VanDerWaalsContact NH2-CD 3.27Å; R40-Q43 PolarHBondContact O-N 3.28Å; R40-G44 PolarHBondContact N-O 3.16Å; R40-G44 PolarHBondContact O-N 3.26Å; R40-G44 VanDerWaalsContact O-N 3.14Å; R40-E46 IonicContact NH2-OE1 3.68Å; R40-E89 PolarHBondContact NH1-O 2.93Å; R40-A92 HydrophobicContact CG-CB 3.84Å
41P89.4Confident95.7Very high128 Ų12853 Ų5383%0.83127%0.268SS*.THydrogen-bonded Turntrans-50-41.6176.5-28.335.2000112.9
42E89.2Confident95.8Very high177 Ų17752.2 Ų52.283%0.82726%0.26SS*.THydrogen-bonded Turntrans-86.3-16-173.1-46.9-57.9158.300114.8R40R40-E42 PolarHBondContact O-N 2.72Å; R40-E42 VanDerWaalsContact O-N 3.16Å
43Q87.9Confident95.9Very high104 Ų10449 Ų4949%0.48625%0.246SC..THydrogen-bonded Turntrans-123.9-4.6-168-59.6-169.2-9.700114.5R40 E46R40-Q43 HydrophobicContact CB-CB 4.23Å; R40-Q43 VanDerWaalsContact NH2-CD 3.27Å; R40-Q43 PolarHBondContact O-N 3.28Å; Q43-E46 PolarHBondContact OE1-OE1 2.99Å
44G90.8Very high95.9Very high33 Ų3353.3 Ų53.334%0.3426%0.257SS..EExtended strand (participates in β ladder)trans73.3-153-176.700000112.6Q39 R40Q39-G44 WeakPolarHBondContact CA-O 3.15Å; R40-G44 PolarHBondContact N-O 3.16Å; R40-G44 PolarHBondContact O-N 3.26Å; R40-G44 VanDerWaalsContact O-N 3.14Å
45L94.5Very high95.9Very high109 Ų10958.3 Ų58.357%0.57128%0.284SS*.EExtended strand (participates in β ladder)trans-96.6119.4-173.9-167.371.5000110.7M37 Q39 F95M37-L45 HydrophobicContact CB-CD1 3.68Å; M37-L45 HydrophobicContact CB-CG 4.1Å; M37-L45 HydrophobicContact CG-CD1 4.3Å; M37-L45 HydrophobicContact CG-CD2 4.3Å; M37-L45 HydrophobicContact CG-CG 4.24Å; Q39-L45 HydrophobicContact CB-CD1 4.06Å; L45-F95 HydrophobicContact CD1-CD2 4.36Å
46E96.4Very high95.8Very high26 Ų2657.9 Ų57.912%0.12129%0.293CS..EExtended strand (participates in β ladder)trans-106.5127.7174.3-64.8-171.2-90.300110.2M37 K38 R40 Q43 K63 F64M37-E46 CarbonylContact C-O 3.56Å; M37-E46 VanDerWaalsContact CA-O 3.26Å; M37-E46 WeakPolarHBondContact CA-O 3.42Å; K38-E46 HydrophobicContact CB-CB 4.43Å; K38-E46 PolarHBondContact N-O 2.93Å; K38-E46 PolarHBondContact O-N 2.82Å; R40-E46 IonicContact NH2-OE1 3.68Å; Q43-E46 PolarHBondContact OE1-OE1 2.99Å; E46-K63 IonicContact OE2-NZ 2.7Å; E46-K63 PolarHBondContact OE2-NZ 3.32Å; E46-F64 HydrophobicContact CB-CE2 4.5Å
47W97.5Very high95.8Very high78 Ų7860.2 Ų60.230%0.29531%0.309SS..EExtended strand (participates in β ladder)trans-78.3128173.9179.768.7000110.7H35 G49 Y50 K59 N61H35-W47 AromaticContact ND1-NE1 3.27Å; H35-W47 PolarHBondContact ND1-NE1 3.03Å; W47-G49 VanDerWaalsContact CE2-C 3.47Å; W47-G49 VanDerWaalsContact CE2-CA 3.46Å; W47-G49 PolarHBondContact NE1-O 3Å; W47-Y50 HydrophobicContact CH2-CD1 4.36Å; W47-Y50 AromaticContact CZ2-CD1 3.71Å; W47-Y50 HydrophobicContact CZ2-CD1 3.71Å; W47-Y50 HydrophobicContact CZ2-CG 4.44Å; W47-K59 HydrophobicContact CH2-CB 4.23Å; W47-K59 HydrophobicContact CH2-CD 4.14Å; W47-K59 HydrophobicContact CH2-CG 4Å; W47-N61 HydrophobicContact CE3-CB 3.9Å; W47-N61 HydrophobicContact CZ3-CB 4.1Å; W47-N61 WeakPolarHBondContact O-CB 3.26Å; W47-N61 PolarHBondContact O-ND2 3.07Å
48I98.2Very high95.8Very high0 Ų062 Ų620%032%0.321CS..EExtended strand (participates in β ladder)trans-90.4-47.4-179.3-61.5174.2000110.4W36 K38 Y60 N61 F64 A68 M81 Y94W36-I48 HydrophobicContact CB-CB 4.08Å; W36-I48 HydrophobicContact CB-CD1 4.29Å; W36-I48 HydrophobicContact CB-CG2 4.47Å; W36-I48 WeakPolarHBondContact O-CB 3.34Å; W36-I48 PolarHBondContact O-N 3.3Å; K38-I48 HydrophobicContact CB-CD1 4.08Å; K38-I48 HydrophobicContact CB-CG1 4.23Å; I48-Y60 WeakPolarHBondContact O-CA 3.33Å; I48-N61 PolarHBondContact O-N 2.76Å; I48-F64 HydrophobicContact CB-CD2 4.22Å; I48-F64 HydrophobicContact CB-CG 4.22Å; I48-F64 HydrophobicContact CD1-CE1 4.43Å; I48-F64 HydrophobicContact CG1-CD1 4.12Å; I48-F64 HydrophobicContact CG1-CD2 4.12Å; I48-F64 HydrophobicContact CG1-CE1 3.98Å; I48-F64 HydrophobicContact CG1-CE2 3.97Å; I48-F64 HydrophobicContact CG1-CG 4.18Å; I48-F64 HydrophobicContact CG1-CZ 3.9Å; I48-F64 HydrophobicContact CG2-CB 3.81Å; I48-F64 HydrophobicContact CG2-CD1 4.08Å; I48-F64 HydrophobicContact CG2-CD2 4.28Å; I48-F64 HydrophobicContact CG2-CG 3.8Å; I48-A68 HydrophobicContact CG2-CB 3.85Å; I48-M81 HydrophobicContact CD1-CE 4.13Å; I48-M81 HydrophobicContact CD1-SD 3.49Å; I48-M81 WeakPolarHBondContact CD1-SD 3.34Å; I48-M81 HydrophobicContact CG2-SD 4.06Å; I48-Y94 HydrophobicContact CD1-CD1 3.69Å; I48-Y94 HydrophobicContact CD1-CE1 3.75Å
49G98.4Very high95.9Very high0 Ų067.3 Ų67.30%034%0.344CS..EExtended strand (participates in β ladder)trans168.7-179.6-170.500000112.7H35 W36 W47 K59H35-G49 WeakPolarHBondContact CA-O 3.4Å; W36-G49 PolarHBondContact N-O 2.93Å; W47-G49 VanDerWaalsContact CE2-C 3.47Å; W47-G49 VanDerWaalsContact CE2-CA 3.46Å; W47-G49 PolarHBondContact NE1-O 3Å; G49-K59 CarbonylContact C-O 3.56Å; G49-K59 WeakPolarHBondContact CA-O 3.05Å
50Y98.6Very high96Very high66 Ų6665.9 Ų65.926%0.25934%0.336SS..EExtended strand (participates in β ladder)trans-136.8158.6166.572.5-110.3000110.8T33 I34 H35 W47 T58 K59 L70T33-Y50 HydrophobicContact CG2-CD2 3.76Å; T33-Y50 HydrophobicContact CG2-CE2 4.08Å; T33-Y50 HydrophobicContact CG2-CG 4.36Å; I34-Y50 CarbonylContact O-C 3.6Å; I34-Y50 WeakPolarHBondContact O-CA 3.43Å; I34-Y50 WeakPolarHBondContact O-CB 3.2Å; H35-Y50 AromaticContact CE1-CD1 3.96Å; W47-Y50 HydrophobicContact CH2-CD1 4.36Å; W47-Y50 AromaticContact CZ2-CD1 3.71Å; W47-Y50 HydrophobicContact CZ2-CD1 3.71Å; W47-Y50 HydrophobicContact CZ2-CG 4.44Å; Y50-T58 VanDerWaalsContact O-CA 3.28Å; Y50-T58 WeakPolarHBondContact O-CA 3.25Å; Y50-K59 HydrophobicContact CD1-CB 3.94Å; Y50-K59 HydrophobicContact CE1-CB 3.44Å; Y50-K59 VanDerWaalsContact CE1-CB 3.44Å; Y50-K59 HydrophobicContact CE1-CD 3.89Å; Y50-K59 HydrophobicContact CE1-CG 4.27Å; Y50-K59 HydrophobicContact CE2-CB 4.21Å; Y50-K59 PolarHBondContact N-O 3Å; Y50-K59 PolarHBondContact O-N 3.29Å; Y50-K59 VanDerWaalsContact O-N 3.09Å; Y50-L70 VanDerWaalsContact C-CD1 3.47Å; Y50-L70 WeakPolarHBondContact O-CD1 3.47Å
51I98.6Very high96.1Very high4 Ų465.9 Ų65.92%0.02134%0.339CS..EExtended strand (participates in β ladder)trans-120.7137162.8-176.2163.4000109.6T33 I34 P53 S57 T58 L70 A72 A79T33-I51 CarbonylContact C-O 3.53Å; T33-I51 WeakPolarHBondContact CA-O 3.35Å; I34-I51 HydrophobicContact CB-CG2 4.22Å; I34-I51 PolarHBondContact N-O 2.9Å; I34-I51 PolarHBondContact O-N 2.87Å; I51-P53 WeakPolarHBondContact O-CD 3.13Å; I51-S57 CarbonylContact C-O 3.59Å; I51-S57 WeakPolarHBondContact CA-O 2.99Å; I51-T58 HydrophobicContact CB-CG2 4.08Å; I51-T58 HydrophobicContact CD1-CG2 4.11Å; I51-T58 HydrophobicContact CG1-CG2 3.95Å; I51-L70 HydrophobicContact CB-CB 4.1Å; I51-A72 HydrophobicContact CD1-CB 3.73Å; I51-A72 HydrophobicContact CG1-CB 4.38Å; I51-A79 HydrophobicContact CG2-CB 4.32Å
52Y98.4Very high96.5Very high54 Ų5466.1 Ų66.121%0.21233%0.329CS..  trans-96108.5167.2-172.6-150000109.3T30 T33 R54 D55 G56 S57T30-Y52 WeakPolarHBondContact O-CE2 3.42Å; T33-Y52 HydrophobicContact CG2-CD2 3.99Å; T33-Y52 HydrophobicContact CG2-CG 4.13Å; Y52-R54 HydrophobicContact CD1-CB 3.98Å; Y52-R54 HydrophobicContact CD2-CB 4.27Å; Y52-R54 HydrophobicContact CE1-CB 3.52Å; Y52-R54 HydrophobicContact CE1-CG 4.33Å; Y52-R54 HydrophobicContact CE2-CB 3.84Å; Y52-R54 HydrophobicContact CG-CB 4.33Å; Y52-R54 VanDerWaalsContact CZ-CB 3.44Å; Y52-R54 PolarHBondContact O-N 3.2Å; Y52-R54 VanDerWaalsContact O-N 3.12Å; Y52-R54 WeakPolarHBondContact OH-CD 3.49Å; Y52-R54 PolarHBondContact OH-NE 3.28Å; Y52-R54 VanDerWaalsContact OH-NE 3.12Å; Y52-D55 WeakPolarHBondContact CD1-OD1 3.42Å; Y52-G56 VanDerWaalsContact O-CA 3.28Å; Y52-G56 WeakPolarHBondContact O-CA 3.36Å; Y52-G56 PolarHBondContact O-N 2.78Å; Y52-S57 WeakPolarHBondContact CB-OG 2.99Å; Y52-S57 PolarHBondContact N-O 2.78Å
53P98.1Very high96.7Very high2 Ų264.7 Ų64.71%0.01332%0.321CS..THydrogen-bonded Turntrans-64.4-21.4-173-23.135.3000114.1F29 H32 I34 I51 A72 K74F29-P53 HydrophobicContact CD1-CB 3.78Å; F29-P53 HydrophobicContact CD1-CG 4.15Å; F29-P53 HydrophobicContact CD2-CG 4.16Å; F29-P53 HydrophobicContact CE1-CB 3.45Å; F29-P53 VanDerWaalsContact CE1-CB 3.45Å; F29-P53 HydrophobicContact CE1-CG 3.73Å; F29-P53 HydrophobicContact CE2-CB 4.38Å; F29-P53 HydrophobicContact CE2-CG 3.73Å; F29-P53 HydrophobicContact CG-CB 4.39Å; F29-P53 HydrophobicContact CG-CG 4.37Å; F29-P53 HydrophobicContact CZ-CB 3.78Å; F29-P53 HydrophobicContact CZ-CG 3.49Å; F29-P53 VanDerWaalsContact CZ-CG 3.49Å; H32-P53 WeakPolarHBondContact O-CD 3.49Å; I34-P53 HydrophobicContact CG1-CG 4.31Å; I51-P53 WeakPolarHBondContact O-CD 3.13Å; P53-A72 HydrophobicContact CB-CB 4.01Å; P53-A72 HydrophobicContact CG-CB 4.32Å; P53-K74 WeakPolarHBondContact O-CE 3.46Å
54R97.7Very high97.1Very high132 Ų13260.2 Ų60.250%0.49830%0.299SS..THydrogen-bonded Turntrans-58.3-53.7-179.6-166.8172.7-83.5-152.6-3.8112.1T30 D31 Y52 K74T30-R54 VanDerWaalsContact O-CB 3.31Å; T30-R54 WeakPolarHBondContact O-CB 3.39Å; T30-R54 PolarHBondContact O-NE 2.92Å; D31-R54 IonicContact OD1-CZ 3.21Å; D31-R54 IonicContact OD1-NE 3.22Å; D31-R54 IonicContact OD1-NH2 3.93Å; D31-R54 PolarHBondContact OD1-NH2 2.62Å; Y52-R54 HydrophobicContact CD1-CB 3.98Å; Y52-R54 HydrophobicContact CD2-CB 4.27Å; Y52-R54 HydrophobicContact CE1-CB 3.52Å; Y52-R54 HydrophobicContact CE1-CG 4.33Å; Y52-R54 HydrophobicContact CE2-CB 3.84Å; Y52-R54 HydrophobicContact CG-CB 4.33Å; Y52-R54 VanDerWaalsContact CZ-CB 3.44Å; Y52-R54 PolarHBondContact O-N 3.2Å; Y52-R54 VanDerWaalsContact O-N 3.12Å; Y52-R54 WeakPolarHBondContact OH-CD 3.49Å; Y52-R54 PolarHBondContact OH-NE 3.28Å; Y52-R54 VanDerWaalsContact OH-NE 3.12Å; R54-K74 WeakPolarHBondContact O-CE 3.49Å; R54-K74 PolarHBondContact O-NZ 3.49Å
55D97.3Very high97.3Very high105 Ų10564.7 Ų64.756%0.56131%0.309SS*.THydrogen-bonded Turntrans-114.2-7.1-174.260.312000113.1Y52 S57Y52-D55 WeakPolarHBondContact CD1-OD1 3.42Å; D55-S57 VanDerWaalsContact C-N 3.27Å; D55-S57 WeakPolarHBondContact OD1-CB 3.4Å; D55-S57 PolarHBondContact OD1-N 2.93Å; D55-S57 PolarHBondContact OD1-OG 3.37Å
56G97.4Very high97.3Very high41 Ų4163 Ų6342%0.42332%0.318SS..  trans77.610.3-17800000113.6Y52Y52-G56 VanDerWaalsContact O-CA 3.28Å; Y52-G56 WeakPolarHBondContact O-CA 3.36Å; Y52-G56 PolarHBondContact O-N 2.78Å
57S98Very high97.3Very high48 Ų4863.6 Ų63.634%0.33632%0.321SS..  trans-63.3139.3177.960.10000111.1I51 Y52 D55I51-S57 CarbonylContact C-O 3.59Å; I51-S57 WeakPolarHBondContact CA-O 2.99Å; Y52-S57 WeakPolarHBondContact CB-OG 2.99Å; Y52-S57 PolarHBondContact N-O 2.78Å; D55-S57 VanDerWaalsContact C-N 3.27Å; D55-S57 WeakPolarHBondContact OD1-CB 3.4Å; D55-S57 PolarHBondContact OD1-N 2.93Å; D55-S57 PolarHBondContact OD1-OG 3.37Å
58T98.4Very high97.3Very high59 Ų5960.1 Ų60.136%0.36231%0.308SS..EExtended strand (participates in β ladder)trans-129.1142.6-178.358.10000111.1Y50 I51 Y60 L70Y50-T58 VanDerWaalsContact O-CA 3.28Å; Y50-T58 WeakPolarHBondContact O-CA 3.25Å; I51-T58 HydrophobicContact CB-CG2 4.08Å; I51-T58 HydrophobicContact CD1-CG2 4.11Å; I51-T58 HydrophobicContact CG1-CG2 3.95Å; T58-Y60 WeakPolarHBondContact OG1-CE2 3.43Å; T58-L70 HydrophobicContact CG2-CB 4.07Å
59K98.2Very high97.3Very high119 Ų11963 Ų6352%0.51733%0.326SS..EExtended strand (participates in β ladder)trans-125.4140.8166.1-168.4-179.9179.3177.50108.9W47 G49 Y50W47-K59 HydrophobicContact CH2-CB 4.23Å; W47-K59 HydrophobicContact CH2-CD 4.14Å; W47-K59 HydrophobicContact CH2-CG 4Å; G49-K59 CarbonylContact C-O 3.56Å; G49-K59 WeakPolarHBondContact CA-O 3.05Å; Y50-K59 HydrophobicContact CD1-CB 3.94Å; Y50-K59 HydrophobicContact CE1-CB 3.44Å; Y50-K59 VanDerWaalsContact CE1-CB 3.44Å; Y50-K59 HydrophobicContact CE1-CD 3.89Å; Y50-K59 HydrophobicContact CE1-CG 4.27Å; Y50-K59 HydrophobicContact CE2-CB 4.21Å; Y50-K59 PolarHBondContact N-O 3Å; Y50-K59 PolarHBondContact O-N 3.29Å; Y50-K59 VanDerWaalsContact O-N 3.09Å
60Y98.4Very high97.3Very high52 Ų5263.3 Ų63.320%0.20433%0.328CS..EExtended strand (participates in β ladder)trans-118.4152.1178.7-62.2-93000110.1I48 T58 A68 L70I48-Y60 WeakPolarHBondContact O-CA 3.33Å; T58-Y60 WeakPolarHBondContact OG1-CE2 3.43Å; Y60-A68 HydrophobicContact CD1-CB 4.33Å; Y60-A68 HydrophobicContact CE1-CB 4.14Å; Y60-A68 WeakPolarHBondContact CE1-O 3.22Å; Y60-L70 HydrophobicContact CE1-CD1 4.07Å; Y60-L70 HydrophobicContact CE1-CG 3.68Å; Y60-L70 PolarHBondContact OH-N 2.84Å
61N97.2Very high97.3Very high47 Ų4763 Ų6325%0.25133%0.333SS..  trans-70.9137.6154.6179.4-26.2000108.3W47 I48 K63 F64 K65W47-N61 HydrophobicContact CE3-CB 3.9Å; W47-N61 HydrophobicContact CZ3-CB 4.1Å; W47-N61 WeakPolarHBondContact O-CB 3.26Å; W47-N61 PolarHBondContact O-ND2 3.07Å; I48-N61 PolarHBondContact O-N 2.76Å; N61-K63 PolarHBondContact O-N 2.77Å; N61-K63 VanDerWaalsContact O-N 3.12Å; N61-K63 PolarHBondContact OD1-N 2.82Å; N61-K63 VanDerWaalsContact OD1-N 3.11Å; N61-F64 HydrophobicContact CB-CD2 4.11Å; N61-F64 PolarHBondContact O-N 3.24Å; N61-K65 PolarHBondContact O-N 3.22Å
62E96.6Very high97.3Very high133 Ų13364.5 Ų64.562%0.62135%0.346SS*.G310 helixtrans-55.3-32.6-176.9-67.4-6014000112.7F64 K65E62-F64 PolarHBondContact O-N 2.94Å; E62-K65 WeakPolarHBondContact O-CB 3.44Å; E62-K65 PolarHBondContact O-N 2.77Å; E62-K65 IonicContact OE1-NZ 3.75Å; E62-K65 PolarHBondContact OE1-NZ 2.81Å; E62-K65 WeakPolarHBondContact OE2-CD 3.33Å; E62-K65 IonicContact OE2-NZ 2.78Å; E62-K65 PolarHBondContact OE2-NZ 2.83Å
63K94.4Very high97.3Very high147 Ų14764.6 Ų64.664%0.63935%0.35SS*.G310 helixtrans-59.8-29.4175.1-69.8-171.5-175.3-178.90114.1E46 N61E46-K63 IonicContact OE2-NZ 2.7Å; E46-K63 PolarHBondContact OE2-NZ 3.32Å; N61-K63 PolarHBondContact O-N 2.77Å; N61-K63 VanDerWaalsContact O-N 3.12Å; N61-K63 PolarHBondContact OD1-N 2.82Å; N61-K63 VanDerWaalsContact OD1-N 3.11Å
64F96.2Very high97.2Very high9 Ų970.2 Ų70.24%0.03937%0.374CS..G310 helixtrans-106.3-2.9-175.2-64.5-84.4000112.8K38 E46 I48 N61 E62 G66 K67 A68K38-F64 HydrophobicContact CB-CZ 4.31Å; K38-F64 HydrophobicContact CD-CE1 4.01Å; K38-F64 HydrophobicContact CD-CZ 3.83Å; E46-F64 HydrophobicContact CB-CE2 4.5Å; I48-F64 HydrophobicContact CB-CD2 4.22Å; I48-F64 HydrophobicContact CB-CG 4.22Å; I48-F64 HydrophobicContact CD1-CE1 4.43Å; I48-F64 HydrophobicContact CG1-CD1 4.12Å; I48-F64 HydrophobicContact CG1-CD2 4.12Å; I48-F64 HydrophobicContact CG1-CE1 3.98Å; I48-F64 HydrophobicContact CG1-CE2 3.97Å; I48-F64 HydrophobicContact CG1-CG 4.18Å; I48-F64 HydrophobicContact CG1-CZ 3.9Å; I48-F64 HydrophobicContact CG2-CB 3.81Å; I48-F64 HydrophobicContact CG2-CD1 4.08Å; I48-F64 HydrophobicContact CG2-CD2 4.28Å; I48-F64 HydrophobicContact CG2-CG 3.8Å; N61-F64 HydrophobicContact CB-CD2 4.11Å; N61-F64 PolarHBondContact O-N 3.24Å; E62-F64 PolarHBondContact O-N 2.94Å; F64-G66 PolarHBondContact O-N 3.14Å; F64-K67 PolarHBondContact O-N 3.16Å; F64-A68 HydrophobicContact CB-CB 4.2Å; F64-A68 PolarHBondContact O-N 3.22Å
65K95Very high97.2Very high127 Ų12769.2 Ų69.255%0.55239%0.387SS*.BIsolated β-bridgetrans-63.9124176.4-164.6175.8-173.4174.40109.3N61 E62 K67N61-K65 PolarHBondContact O-N 3.22Å; E62-K65 WeakPolarHBondContact O-CB 3.44Å; E62-K65 PolarHBondContact O-N 2.77Å; E62-K65 IonicContact OE1-NZ 3.75Å; E62-K65 PolarHBondContact OE1-NZ 2.81Å; E62-K65 WeakPolarHBondContact OE2-CD 3.33Å; E62-K65 IonicContact OE2-NZ 2.78Å; E62-K65 PolarHBondContact OE2-NZ 2.83Å; K65-K67 PolarHBondContact O-N 3.22Å
66G94.1Very high97.2Very high73 Ų7366 Ų6675%0.75337%0.373SS*.THydrogen-bonded Turntrans83.8-19.7-173.800000114.9F64F64-G66 PolarHBondContact O-N 3.14Å
67K96.2Very high97.2Very high40 Ų4066 Ų6617%0.17437%0.366CS..THydrogen-bonded Turntrans-87.5-45.8173.5-173.776.8175.7-160.90111.9F64 K65 L83 N84 S85 D90F64-K67 PolarHBondContact O-N 3.16Å; K65-K67 PolarHBondContact O-N 3.22Å; K67-L83 HydrophobicContact CG-CD2 4.4Å; K67-N84 WeakPolarHBondContact CD-O 3.13Å; K67-N84 WeakPolarHBondContact CE-O 3.4Å; K67-N84 PolarHBondContact NZ-O 3.12Å; K67-N84 PolarHBondContact O-N 2.87Å; K67-S85 PolarHBondContact NZ-O 2.87Å; K67-D90 WeakPolarHBondContact CE-OD2 3.38Å; K67-D90 IonicContact NZ-OD2 2.75Å; K67-D90 PolarHBondContact NZ-OD2 3.21Å
68A98Very high97.2Very high4 Ų464 Ų643%0.03335%0.352CS..EExtended strand (participates in β ladder)trans-99.3145.6-178.500000111.5I48 Y60 F64 Q82 L83I48-A68 HydrophobicContact CG2-CB 3.85Å; Y60-A68 HydrophobicContact CD1-CB 4.33Å; Y60-A68 HydrophobicContact CE1-CB 4.14Å; Y60-A68 WeakPolarHBondContact CE1-O 3.22Å; F64-A68 HydrophobicContact CB-CB 4.2Å; F64-A68 PolarHBondContact O-N 3.22Å; A68-Q82 CarbonylContact C-O 3.53Å; A68-Q82 VanDerWaalsContact CA-O 3.31Å; A68-Q82 WeakPolarHBondContact CA-O 3.12Å; A68-L83 HydrophobicContact CB-CD2 3.76Å
69T98.4Very high97.3Very high60 Ų6061.2 Ų61.237%0.36834%0.335SS..EExtended strand (participates in β ladder)trans-130.1120169.1-590000108.5T71 Q82T69-T71 HydrophobicContact CG2-CG2 4.33Å; T69-Q82 PolarHBondContact N-O 2.77Å; T69-Q82 PolarHBondContact O-N 3.32Å
70L98.6Very high97.3Very high8 Ų858.2 Ų58.24%0.04232%0.321CS..EExtended strand (participates in β ladder)trans-100.4131.3179.5-52.3-176.6000109.8W36 Y50 I51 T58 Y60 Y80 M81W36-L70 HydrophobicContact CB-CD2 4.49Å; W36-L70 VanDerWaalsContact CD1-CD2 3.48Å; W36-L70 HydrophobicContact CG-CD2 4Å; Y50-L70 VanDerWaalsContact C-CD1 3.47Å; Y50-L70 WeakPolarHBondContact O-CD1 3.47Å; I51-L70 HydrophobicContact CB-CB 4.1Å; T58-L70 HydrophobicContact CG2-CB 4.07Å; Y60-L70 HydrophobicContact CE1-CD1 4.07Å; Y60-L70 HydrophobicContact CE1-CG 3.68Å; Y60-L70 PolarHBondContact OH-N 2.84Å; L70-Y80 WeakPolarHBondContact CA-O 3.28Å; L70-M81 HydrophobicContact CD2-CB 3.75Å; L70-M81 HydrophobicContact CD2-CG 3.62Å; L70-M81 HydrophobicContact CD2-SD 4.38Å
71T98.4Very high97.3Very high60 Ų6055.8 Ų55.837%0.36831%0.311SS..EExtended strand (participates in β ladder)trans-137.9161.6176.856.70000110.5T69 A79 Y80T69-T71 HydrophobicContact CG2-CG2 4.33Å; T71-A79 CarbonylContact O-C 3.58Å; T71-A79 WeakPolarHBondContact O-CA 3.28Å; T71-Y80 PolarHBondContact N-O 3.11Å; T71-Y80 PolarHBondContact O-N 2.97Å
72A98.4Very high97.3Very high35 Ų3557 Ų5729%0.28932%0.315SS..EExtended strand (participates in β ladder)trans-139.9135.7178.500000110.3F29 I51 P53 T78F29-A72 HydrophobicContact CE1-CB 4.08Å; F29-A72 HydrophobicContact CZ-CB 4.01Å; I51-A72 HydrophobicContact CD1-CB 3.73Å; I51-A72 HydrophobicContact CG1-CB 4.38Å; P53-A72 HydrophobicContact CB-CB 4.01Å; P53-A72 HydrophobicContact CG-CB 4.32Å; A72-T78 WeakPolarHBondContact CA-O 3.43Å
73D98Very high97.4Very high56 Ų5650.6 Ų50.630%0.29929%0.286SS..EExtended strand (participates in β ladder)trans-105.4108169.9176.76000108.9S75 S76 S77 T78 Y80D73-S75 VanDerWaalsContact C-N 3.28Å; D73-S75 PolarHBondContact O-N 2.81Å; D73-S75 WeakPolarHBondContact OD1-CB 2.97Å; D73-S75 PolarHBondContact OD1-N 2.98Å; D73-S75 PolarHBondContact OD1-OG 2.86Å; D73-S75 PolarHBondContact OD2-OG 2.89Å; D73-S76 WeakPolarHBondContact CB-OG 2.96Å; D73-S76 PolarHBondContact OD1-N 2.65Å; D73-S76 VanDerWaalsContact OD2-CB 3.32Å; D73-S76 WeakPolarHBondContact OD2-CB 2.78Å; D73-S76 PolarHBondContact OD2-OG 3.43Å; D73-S77 PolarHBondContact O-N 3.48Å; D73-S77 VanDerWaalsContact O-N 3.1Å; D73-T78 PolarHBondContact N-O 3.12Å; D73-T78 PolarHBondContact O-N 3.06Å; D73-Y80 HydrophobicContact CB-CE2 4.03Å
74K97.1Very high97.5Very high120 Ų12045.4 Ų45.452%0.52227%0.265SS..THydrogen-bonded Turntrans-64.7-33.2179.6-64.6172.5175.6174.40111.9T30 P53 R54 S77T30-K74 HydrophobicContact CG2-CD 4.39Å; T30-K74 HydrophobicContact CG2-CG 4.11Å; P53-K74 WeakPolarHBondContact O-CE 3.46Å; R54-K74 WeakPolarHBondContact O-CE 3.49Å; R54-K74 PolarHBondContact O-NZ 3.49Å; K74-S77 PolarHBondContact O-N 3.1Å
75S96.7Very high97.5Very high110 Ų11048.8 Ų48.877%0.76929%0.289SS*.THydrogen-bonded Turntrans-70.3-38.3-175.172.70000112D73D73-S75 VanDerWaalsContact C-N 3.28Å; D73-S75 PolarHBondContact O-N 2.81Å; D73-S75 WeakPolarHBondContact OD1-CB 2.97Å; D73-S75 PolarHBondContact OD1-N 2.98Å; D73-S75 PolarHBondContact OD1-OG 2.86Å; D73-S75 PolarHBondContact OD2-OG 2.89Å
76S97.4Very high97.6Very high39 Ų3943.4 Ų43.427%0.27327%0.267SS..THydrogen-bonded Turntrans-96.71.5179.265.80000113.6D73 T78D73-S76 WeakPolarHBondContact CB-OG 2.96Å; D73-S76 PolarHBondContact OD1-N 2.65Å; D73-S76 VanDerWaalsContact OD2-CB 3.32Å; D73-S76 WeakPolarHBondContact OD2-CB 2.78Å; D73-S76 PolarHBondContact OD2-OG 3.43Å; S76-T78 PolarHBondContact O-N 2.86Å; S76-T78 PolarHBondContact O-OG1 2.86Å; S76-T78 WeakPolarHBondContact OG-CB 3.36Å; S76-T78 PolarHBondContact OG-OG1 2.91Å
77S97.9Very high97.6Very high39 Ų3943.1 Ų43.127%0.27325%0.251SS..THydrogen-bonded Turntrans49.643.7-172.8-610000112.6V24 D73 K74V24-S77 PolarHBondContact N-O 3.3Å; D73-S77 PolarHBondContact O-N 3.48Å; D73-S77 VanDerWaalsContact O-N 3.1Å; K74-S77 PolarHBondContact O-N 3.1Å
78T98.5Very high97.5Very high8 Ų846.1 Ų46.15%0.04928%0.277CS..EExtended strand (participates in β ladder)trans-123.3125.3-173.4-56.60000110.7C22 A72 D73 S76 Y80C22-T78 WeakPolarHBondContact O-CA 3.46Å; A72-T78 WeakPolarHBondContact CA-O 3.43Å; D73-T78 PolarHBondContact N-O 3.12Å; D73-T78 PolarHBondContact O-N 3.06Å; S76-T78 PolarHBondContact O-N 2.86Å; S76-T78 PolarHBondContact O-OG1 2.86Å; S76-T78 WeakPolarHBondContact OG-CB 3.36Å; S76-T78 PolarHBondContact OG-OG1 2.91Å; T78-Y80 HydrophobicContact CG2-CD1 4.31Å; T78-Y80 HydrophobicContact CG2-CD2 4.3Å; T78-Y80 HydrophobicContact CG2-CE1 3.74Å; T78-Y80 HydrophobicContact CG2-CE2 3.71Å
79A98.6Very high97.2Very high0 Ų051.9 Ų51.90%030%0.303CS..EExtended strand (participates in β ladder)trans-91.1148.8166.600000109.7S21 C22 F29 I34 W36 I51 T71S21-A79 CarbonylContact C-O 3.49Å; C22-A79 PolarHBondContact N-O 2.95Å; C22-A79 PolarHBondContact O-N 2.91Å; F29-A79 HydrophobicContact CE2-CB 4.33Å; F29-A79 HydrophobicContact CZ-CB 4.15Å; I34-A79 HydrophobicContact CB-CB 4.04Å; I34-A79 HydrophobicContact CG1-CB 4.04Å; I34-A79 HydrophobicContact CG2-CB 3.9Å; W36-A79 HydrophobicContact CZ2-CB 4.25Å; I51-A79 HydrophobicContact CG2-CB 4.32Å; T71-A79 CarbonylContact O-C 3.58Å; T71-A79 WeakPolarHBondContact O-CA 3.28Å
80Y98.6Very high97Very high56 Ų5649.9 Ų49.922%0.2229%0.29CS..EExtended strand (participates in β ladder)trans-129.1142176.1-57.1-90.4000110.8K19 I20 S21 L70 T71 D73 T78K19-Y80 HydrophobicContact CD-CD1 4.32Å; K19-Y80 VanDerWaalsContact CE-CD1 3.47Å; K19-Y80 HydrophobicContact CG-CD1 4.25Å; I20-Y80 CarbonylContact O-C 3.4Å; I20-Y80 VanDerWaalsContact O-CA 3.24Å; I20-Y80 WeakPolarHBondContact O-CA 3.18Å; S21-Y80 VanDerWaalsContact CB-CE1 3.49Å; L70-Y80 WeakPolarHBondContact CA-O 3.28Å; T71-Y80 PolarHBondContact N-O 3.11Å; T71-Y80 PolarHBondContact O-N 2.97Å; D73-Y80 HydrophobicContact CB-CE2 4.03Å; T78-Y80 HydrophobicContact CG2-CD1 4.31Å; T78-Y80 HydrophobicContact CG2-CD2 4.3Å; T78-Y80 HydrophobicContact CG2-CE1 3.74Å; T78-Y80 HydrophobicContact CG2-CE2 3.71Å
81M98.5Very high96.9Very high0 Ų053.8 Ų53.80%032%0.318CS..EExtended strand (participates in β ladder)trans-117.2121.6165.5177.9-177.169.100108.7K19 I20 W36 I48 L70 L83 Y94K19-M81 WeakPolarHBondContact CA-O 3.4Å; I20-M81 HydrophobicContact CD1-CE 3.66Å; I20-M81 HydrophobicContact CG1-CE 4.31Å; I20-M81 PolarHBondContact N-O 2.02Å; I20-M81 PolarHBondContact O-N 2.84Å; W36-M81 HydrophobicContact CB-SD 3.86Å; W36-M81 HydrophobicContact CD2-CB 3.57Å; W36-M81 HydrophobicContact CD2-CG 4.37Å; W36-M81 HydrophobicContact CD2-SD 4.1Å; W36-M81 HydrophobicContact CE3-CB 3.82Å; W36-M81 HydrophobicContact CE3-CE 3.96Å; W36-M81 HydrophobicContact CE3-SD 4.08Å; W36-M81 HydrophobicContact CG-CB 4.06Å; W36-M81 HydrophobicContact CG-CG 4.47Å; W36-M81 HydrophobicContact CG-SD 4.04Å; W36-M81 HydrophobicContact CH2-CB 4.08Å; W36-M81 HydrophobicContact CZ2-CB 3.88Å; W36-M81 HydrophobicContact CZ3-CB 4.07Å; W36-M81 HydrophobicContact CZ3-CE 4.4Å; I48-M81 HydrophobicContact CD1-CE 4.13Å; I48-M81 HydrophobicContact CD1-SD 3.49Å; I48-M81 WeakPolarHBondContact CD1-SD 3.34Å; I48-M81 HydrophobicContact CG2-SD 4.06Å; L70-M81 HydrophobicContact CD2-CB 3.75Å; L70-M81 HydrophobicContact CD2-CG 3.62Å; L70-M81 HydrophobicContact CD2-SD 4.38Å; M81-L83 HydrophobicContact CE-CD1 3.8Å; M81-L83 HydrophobicContact CE-CG 4.03Å; M81-L83 HydrophobicContact CG-CD2 4.47Å; M81-L83 HydrophobicContact CG-CG 4.34Å; M81-L83 HydrophobicContact SD-CD2 4.21Å; M81-L83 HydrophobicContact SD-CG 4.28Å; M81-Y94 HydrophobicContact CE-CD1 3.57Å; M81-Y94 HydrophobicContact CE-CE1 4.14Å; M81-Y94 HydrophobicContact CE-CG 4.02Å
82Q98.3Very high96.8Very high72 Ų7252.5 Ų52.534%0.33631%0.313SS..EExtended strand (participates in β ladder)trans-101.9127.8169.4-178.3172.4-28.700109.4V18 A68 T69 N84V18-Q82 CarbonylContact O-C 3.56Å; V18-Q82 VanDerWaalsContact O-CA 3.27Å; V18-Q82 WeakPolarHBondContact O-CA 3.43Å; A68-Q82 CarbonylContact C-O 3.53Å; A68-Q82 VanDerWaalsContact CA-O 3.31Å; A68-Q82 WeakPolarHBondContact CA-O 3.12Å; T69-Q82 PolarHBondContact N-O 2.77Å; T69-Q82 PolarHBondContact O-N 3.32Å; Q82-N84 PolarHBondContact NE2-OD1 2.84Å
83L97.7Very high96.7Very high0 Ų054.6 Ų54.60%032%0.322CS..EExtended strand (participates in β ladder)trans-111.3130171.8-64.4168.1000108.6S17 V18 K67 A68 M81 L86 Y94S17-L83 CarbonylContact C-O 3.57Å; S17-L83 WeakPolarHBondContact CA-O 2.93Å; S17-L83 WeakPolarHBondContact CB-O 3.37Å; V18-L83 HydrophobicContact CG1-CB 4.08Å; V18-L83 HydrophobicContact CG1-CD1 4.36Å; V18-L83 PolarHBondContact N-O 2.91Å; V18-L83 PolarHBondContact O-N 2.83Å; K67-L83 HydrophobicContact CG-CD2 4.4Å; A68-L83 HydrophobicContact CB-CD2 3.76Å; M81-L83 HydrophobicContact CE-CD1 3.8Å; M81-L83 HydrophobicContact CE-CG 4.03Å; M81-L83 HydrophobicContact CG-CD2 4.47Å; M81-L83 HydrophobicContact CG-CG 4.34Å; M81-L83 HydrophobicContact SD-CD2 4.21Å; M81-L83 HydrophobicContact SD-CG 4.28Å; L83-L86 HydrophobicContact CB-CD2 3.71Å; L83-L86 HydrophobicContact CD1-CD2 4.28Å; L83-Y94 HydrophobicContact CD1-CD1 4.28Å; L83-Y94 HydrophobicContact CD1-CE1 3.58Å; L83-Y94 HydrophobicContact CD1-CE2 4.19Å
84N96.8Very high96.6Very high37 Ų3753.2 Ų53.220%0.19831%0.313CS..  trans-108.6157.1-175.8-56.4-58.2000112.1S17 K67 Q82 L86S17-N84 WeakPolarHBondContact OG-CA 3.46Å; S17-N84 PolarHBondContact OG-OD1 3.29Å; K67-N84 WeakPolarHBondContact CD-O 3.13Å; K67-N84 WeakPolarHBondContact CE-O 3.4Å; K67-N84 PolarHBondContact NZ-O 3.12Å; K67-N84 PolarHBondContact O-N 2.87Å; Q82-N84 PolarHBondContact NE2-OD1 2.84Å; N84-L86 VanDerWaalsContact C-N 3.34Å; N84-L86 PolarHBondContact O-N 2.96Å
85S96.1Very high96.6Very high80 Ų8051.2 Ų51.256%0.55930%0.304SS*.SBendtrans51.448.6172.7-54.40000113.3A16 K67A16-S85 PolarHBondContact O-N 3.09Å; K67-S85 PolarHBondContact NZ-O 2.87Å
86L96.5Very high96.7Very high15 Ų1546.6 Ų46.68%0.07927%0.272CS..  trans-61.1145.3-170.2-69.5167.1000113.3V12 G15 A16 V18 L83 N84 D90V12-L86 HydrophobicContact CG2-CD1 3.48Å; V12-L86 VanDerWaalsContact CG2-CD1 3.48Å; G15-L86 PolarHBondContact N-O 3.48Å; A16-L86 WeakPolarHBondContact O-CB 3.36Å; A16-L86 WeakPolarHBondContact O-CG 3.17Å; A16-L86 PolarHBondContact O-N 2.87Å; V18-L86 HydrophobicContact CB-CD1 4Å; V18-L86 HydrophobicContact CG1-CD1 3.8Å; L83-L86 HydrophobicContact CB-CD2 3.71Å; L83-L86 HydrophobicContact CD1-CD2 4.28Å; N84-L86 VanDerWaalsContact C-N 3.34Å; N84-L86 PolarHBondContact O-N 2.96Å; L86-D90 HydrophobicContact CD2-CB 3.54Å
87T95.3Very high96.7Very high67 Ų6746.4 Ų46.441%0.41127%0.273SS..  trans-121.5171.7176.465.40000110.1E89 D90T87-E89 PolarHBondContact O-N 3.1Å; T87-E89 PolarHBondContact OG1-N 3.11Å; T87-D90 PolarHBondContact N-OD2 3.27Å; T87-D90 WeakPolarHBondContact O-CB 3.47Å; T87-D90 PolarHBondContact O-N 3.27Å; T87-D90 PolarHBondContact OG1-OD2 2.82Å
88S93.1Very high96.3Very high103 Ų10350.8 Ų50.872%0.7228%0.283SS*.G310 helixtrans-58.6-27.7174.451.30000113D90 S91S88-D90 PolarHBondContact O-N 3Å; S88-S91 WeakPolarHBondContact O-CB 3.38Å; S88-S91 PolarHBondContact O-N 2.7Å; S88-S91 PolarHBondContact O-OG 3.12Å
89E92.2Very high96.2Very high125 Ų12552.9 Ų52.958%0.58430%0.295SS*.G310 helixtrans-68.9-20.4176-62.4-173.3-17700113.1K38 R40 T87 S91K38-E89 WeakPolarHBondContact CE-O 3.45Å; K38-E89 PolarHBondContact NZ-O 2.61Å; R40-E89 PolarHBondContact NH1-O 2.93Å; T87-E89 PolarHBondContact O-N 3.1Å; T87-E89 PolarHBondContact OG1-N 3.11Å; E89-S91 VanDerWaalsContact C-N 3.32Å
90D94.7Very high96Very high17 Ų1755.7 Ų55.79%0.09131%0.31CS..G310 helixtrans-83.3-7.9178.9-60.6-54.8000113.1K38 K67 L86 T87 S88 A92 Y94K38-D90 IonicContact NZ-OD1 3.71Å; K67-D90 WeakPolarHBondContact CE-OD2 3.38Å; K67-D90 IonicContact NZ-OD2 2.75Å; K67-D90 PolarHBondContact NZ-OD2 3.21Å; L86-D90 HydrophobicContact CD2-CB 3.54Å; T87-D90 PolarHBondContact N-OD2 3.27Å; T87-D90 WeakPolarHBondContact O-CB 3.47Å; T87-D90 PolarHBondContact O-N 3.27Å; T87-D90 PolarHBondContact OG1-OD2 2.82Å; S88-D90 PolarHBondContact O-N 3Å; D90-A92 PolarHBondContact O-N 3.35Å; D90-A92 VanDerWaalsContact O-N 3.16Å; D90-Y94 WeakPolarHBondContact O-CE2 3.31Å; D90-Y94 PolarHBondContact O-OH 2.93Å
91S95.1Very high95.9Very high91 Ų9155.7 Ų55.764%0.63632%0.315SS*.  trans-66.5111.6172.2-62.60000110.4S88 E89S88-S91 WeakPolarHBondContact O-CB 3.38Å; S88-S91 PolarHBondContact O-N 2.7Å; S88-S91 PolarHBondContact O-OG 3.12Å; E89-S91 VanDerWaalsContact C-N 3.32Å
92A96.3Very high95.8Very high32 Ų3258.9 Ų58.926%0.26433%0.334SS..SBendtrans-164.4169.4-17300000110.7K38 Q39 R40 D90 Y94K38-A92 HydrophobicContact CD-CB 4.18Å; K38-A92 HydrophobicContact CG-CB 3.45Å; K38-A92 VanDerWaalsContact CG-CB 3.45Å; Q39-A92 WeakPolarHBondContact O-CB 3.35Å; R40-A92 HydrophobicContact CG-CB 3.84Å; D90-A92 PolarHBondContact O-N 3.35Å; D90-A92 VanDerWaalsContact O-N 3.16Å; A92-Y94 HydrophobicContact CB-CD2 4.44Å; A92-Y94 HydrophobicContact CB-CE2 3.89Å; A92-Y94 WeakPolarHBondContact O-CD2 3.33Å
93V96.6Very high95.6Very high79 Ų7958.1 Ų58.148%0.47933%0.334SS..EExtended strand (participates in β ladder)trans-85.1133.4162-171.60000108.1Q39 F95Q39-V93 PolarHBondContact N-O 3.35Å; Q39-V93 PolarHBondContact O-N 3.09Å; V93-F95 HydrophobicContact CB-CE2 3.87Å; V93-F95 HydrophobicContact CB-CZ 3.96Å; V93-F95 HydrophobicContact CG1-CD1 4.46Å; V93-F95 HydrophobicContact CG1-CD2 4.27Å; V93-F95 HydrophobicContact CG1-CE1 3.74Å; V93-F95 HydrophobicContact CG1-CE2 3.51Å; V93-F95 HydrophobicContact CG1-CZ 3.22Å
94Y97.5Very high95.5Very high28 Ų2862 Ų6211%0.1136%0.356CS..EExtended strand (participates in β ladder)trans-112.9133.3178.4-69.9-87000110Q6 I20 M37 K38 I48 M81 L83 D90 A92Q6-Y94 PolarHBondContact NE2-O 3.39Å; I20-Y94 HydrophobicContact CD1-CD2 3.99Å; I20-Y94 HydrophobicContact CD1-CG 3.85Å; M37-Y94 WeakPolarHBondContact O-CA 3.43Å; K38-Y94 HydrophobicContact CB-CD1 4.1Å; K38-Y94 HydrophobicContact CB-CE1 3.79Å; K38-Y94 HydrophobicContact CD-CE1 4.09Å; K38-Y94 HydrophobicContact CG-CD1 4.33Å; K38-Y94 HydrophobicContact CG-CE1 3.72Å; I48-Y94 HydrophobicContact CD1-CD1 3.69Å; I48-Y94 HydrophobicContact CD1-CE1 3.75Å; M81-Y94 HydrophobicContact CE-CD1 3.57Å; M81-Y94 HydrophobicContact CE-CE1 4.14Å; M81-Y94 HydrophobicContact CE-CG 4.02Å; L83-Y94 HydrophobicContact CD1-CD1 4.28Å; L83-Y94 HydrophobicContact CD1-CE1 3.58Å; L83-Y94 HydrophobicContact CD1-CE2 4.19Å; D90-Y94 WeakPolarHBondContact O-CE2 3.31Å; D90-Y94 PolarHBondContact O-OH 2.93Å; A92-Y94 HydrophobicContact CB-CD2 4.44Å; A92-Y94 HydrophobicContact CB-CE2 3.89Å; A92-Y94 WeakPolarHBondContact O-CD2 3.33Å
95F97.1Very high95.4Very high77 Ų7763.8 Ų63.834%0.33837%0.367SS..EExtended strand (participates in β ladder)trans-119.2144-179.6-58.3-82.4000110.5Q6 W36 M37 Q39 L45 V93Q6-F95 VanDerWaalsContact OE1-CA 3.3Å; W36-F95 WeakPolarHBondContact CA-O 3.38Å; M37-F95 WeakPolarHBondContact CE-O 3.33Å; M37-F95 PolarHBondContact N-O 3.47Å; M37-F95 PolarHBondContact O-N 2.75Å; Q39-F95 HydrophobicContact CB-CD2 4.29Å; Q39-F95 HydrophobicContact CB-CE2 3.69Å; Q39-F95 VanDerWaalsContact OE1-CE2 3.22Å; L45-F95 HydrophobicContact CD1-CD2 4.36Å; V93-F95 HydrophobicContact CB-CE2 3.87Å; V93-F95 HydrophobicContact CB-CZ 3.96Å; V93-F95 HydrophobicContact CG1-CD1 4.46Å; V93-F95 HydrophobicContact CG1-CD2 4.27Å; V93-F95 HydrophobicContact CG1-CE1 3.74Å; V93-F95 HydrophobicContact CG1-CE2 3.51Å; V93-F95 HydrophobicContact CG1-CZ 3.22Å
96C97.8Very high95.3Very high13 Ų1362.5 Ų62.59%0.08835%0.353CS..EExtended strand (participates in β ladder)trans-99.3145.1156.464.10000110L4 Q6 C22 I34 H35 W36L4-C96 HydrophobicContact CD2-CB 4.47Å; Q6-C96 HydrophobicContact CG-CB 4.48Å; Q6-C96 WeakPolarHBondContact CG-SG 3.1Å; C22-C96 HydrophobicContact CB-CB 3.48Å; C22-C96 VanDerWaalsContact CB-CB 3.48Å; C22-C96 WeakPolarHBondContact CB-SG 3.16Å; C22-C96 WeakPolarHBondContact SG-CB 3.23Å; C22-C96 CovalentContact SG-SG 2.02Å; C22-C96 PolarHBondContact SG-SG 2.69Å; I34-C96 HydrophobicContact CG2-CB 4.01Å; H35-C96 CarbonylContact O-C 3.53Å; H35-C96 VanDerWaalsContact O-CA 3.25Å; H35-C96 WeakPolarHBondContact O-CA 3.49Å; W36-C96 HydrophobicContact CD2-CB 4.34Å; W36-C96 HydrophobicContact CE3-CB 4.1Å; W36-C96 HydrophobicContact CH2-CB 4.1Å; W36-C96 HydrophobicContact CZ2-CB 4.31Å; W36-C96 HydrophobicContact CZ3-CB 3.97Å
97A96.8Very high95.2Very high35 Ų3566.5 Ų66.529%0.28938%0.375SS..EExtended strand (participates in β ladder)trans-139.7160.1177.300000110.6I34 H35 M37I34-A97 CarbonylContact C-O 3.59Å; I34-A97 WeakPolarHBondContact CA-O 3.3Å; H35-A97 HydrophobicContact CB-CB 4.46Å; H35-A97 PolarHBondContact N-O 3.05Å; H35-A97 PolarHBondContact O-N 3.28Å; M37-A97 HydrophobicContact CE-CB 3.7Å; M37-A97 HydrophobicContact SD-CB 3.93Å
98R90.2Very high95.2Very high131 Ų13166.5 Ų66.549%0.49437%0.372SS..  trans-123.50170.6-175.2-167.390.3154.3-4.1109.1L4 Y27 H32L4-R98 HydrophobicContact CD2-CB 4.44Å; Y27-R98 VanDerWaalsContact CE1-CD 3.42Å; Y27-R98 VanDerWaalsContact CE2-CD 3.48Å; Y27-R98 WeakPolarHBondContact OH-CD 3.35Å; H32-R98 HydrophobicContact CB-CG 3.66Å; H32-R98 PolarHBondContact CD2-NH1 2.84Å; H32-R98 VanDerWaalsContact CD2-NH1 3.28Å; H32-R98 PolarHBondContact CE1-NH1 2.82Å; H32-R98 PolarHBondContact NE2-NH1 2.7Å

Retrieved 98 of 98 residues in 108.3 ms (Link to these results)

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