A0A023IMJ0_RAT Loading...

RT1-DOb

Involved in the presentation of foreign antigens to the immune system.

AlphaFold DB , UniProt , Accession A0A023IMJ0, Species RAT (Rattus norvegicus, Rat), Gene DOb, Length 236 aa.

Structure Viewer
Loading PAE data...
(Predicted Aligned Error values between residue pairs)
Error loading PAE data: please refresh the page.

 

Download Structure   PDB   PAE   Table  
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
1G55.6Low83.3Confident133 Ų133132.6 Ų132.6100%1.37174%0.735SS**  0101.8000000108.6
2R58.3Low84.5Confident247 Ų247127.6 Ų127.693%0.93272%0.724SS**  trans-165.297.8164.2-110.6177.9-174.3159.52104S4R2-S4 PolarHBondContact O-N 3.36Å; R2-S4 VanDerWaalsContact O-N 3.16Å
3D66.3Low85.6Confident161 Ų161125.2 Ų125.286%0.86170%0.7SS**PPolyproline II helixtrans-53.1119.3168.4-63.3-43.2000106.7
4S71.5Confident86.5Confident111 Ų111121.4 Ų121.478%0.77669%0.693SS**PPolyproline II helixtrans-62.3126.2161.8-155.60000105.2R2 E6R2-S4 PolarHBondContact O-N 3.36Å; R2-S4 VanDerWaalsContact O-N 3.16Å; S4-E6 PolarHBondContact O-N 3.39Å
5P86.1Confident87.3Confident109 Ų109116.5 Ų116.571%0.70866%0.662SS**PPolyproline II helixtrans-58.1141.3-178.622.4-30.9000109.8D7P5-D7 PolarHBondContact O-N 3.28Å
6E92Very high88Confident183 Ų183111.6 Ų111.686%0.85564%0.636SS**PPolyproline II helixtrans-59.3126.2173.4-69-177.5171.700109.4S4 F8S4-E6 PolarHBondContact O-N 3.39Å; E6-F8 HydrophobicContact CB-CE2 4.4Å
7D95.3Very high88.6Confident123 Ų123110.8 Ų110.866%0.65862%0.621SS**  trans-142.6142.9-179.8-174.329.6000110.2P5P5-D7 PolarHBondContact O-N 3.28Å
8F96.4Very high89.1Confident142 Ų142108.6 Ų108.662%0.62360%0.604SS**  trans-141.6130.2-178.6-59.1-85.7000109.4E6 F33E6-F8 HydrophobicContact CB-CE2 4.4Å; F8-F33 HydrophobicContact CB-CE2 4.44Å; F8-F33 AromaticContact CD1-CZ 3.88Å; F8-F33 HydrophobicContact CD1-CZ 3.88Å
9V98Very high89.6Confident56 Ų56107.6 Ų107.634%0.33960%0.601SS.*  trans-123.4130.3-174.5-175.30000109.9Q11 N34V9-Q11 HydrophobicContact CG1-CG 3.75Å; V9-N34 PolarHBondContact N-OD1 3.14Å; V9-N34 PolarHBondContact O-N 3.02Å
10I98Very high89.8Confident126 Ų126108.4 Ų108.465%0.64660%0.604SS**EExtended strand (participates in β ladder)trans-111.4135166-170.6170.3000109.1I32I10-I32 WeakPolarHBondContact CA-O 3.45Å
11Q98.6Very high90Very high68 Ų68104.7 Ų104.732%0.31859%0.59SS.*EExtended strand (participates in β ladder)trans-131.5144.6179.8-46.1173.651.300109.5V9 I32 N34V9-Q11 HydrophobicContact CG1-CG 3.75Å; Q11-I32 HydrophobicContact CB-CB 4.23Å; Q11-I32 HydrophobicContact CB-CD1 4.34Å; Q11-I32 PolarHBondContact N-O 2.9Å; Q11-I32 PolarHBondContact O-N 3.32Å; Q11-N34 PolarHBondContact NE2-O 2.82Å
12A98.2Very high92Very high72 Ų72100.2 Ų100.260%0.59554%0.536SS*.EExtended strand (participates in β ladder)trans-125.8132.616700000108.7R30 F31A12-R30 CarbonylContact C-O 3.57Å; A12-R30 VanDerWaalsContact CA-O 3.28Å; A12-R30 WeakPolarHBondContact CA-O 3.28Å; A12-F31 HydrophobicContact CB-CD1 4.33Å; A12-F31 HydrophobicContact CB-CE1 4.4Å
13K98.5Very high93.7Very high97 Ų9794.1 Ų94.142%0.42252%0.519SS..EExtended strand (participates in β ladder)trans-120.8117.8177.6-63.8-177.4179.9178.70109.2E15 V29 R30 I32K13-E15 HydrophobicContact CB-CG 4.16Å; K13-V29 CarbonylContact O-C 3.52Å; K13-V29 VanDerWaalsContact O-CA 3.26Å; K13-V29 WeakPolarHBondContact O-CA 3.5Å; K13-R30 HydrophobicContact CB-CB 4.41Å; K13-R30 PolarHBondContact N-O 2.9Å; K13-R30 PolarHBondContact O-N 3.21Å; K13-I32 HydrophobicContact CD-CD1 4.17Å; K13-I32 HydrophobicContact CG-CD1 4.11Å
14A98.1Very high95.2Very high72 Ų7293.1 Ų93.160%0.59551%0.507SS*.EExtended strand (participates in β ladder)trans-98.499.5173.300000108.8F27A14-F27 HydrophobicContact CB-CE2 4.04Å; A14-F27 HydrophobicContact CB-CZ 4.34Å
15E98.4Very high96.5Very high48 Ų4888.7 Ų88.722%0.22448%0.475CS..EExtended strand (participates in β ladder)trans-102.8134.1-172-60.1176.2152.400110.3K13 Y17 F27 L28 R30K13-E15 HydrophobicContact CB-CG 4.16Å; E15-Y17 HydrophobicContact CB-CE2 3.81Å; E15-Y17 PolarHBondContact OE2-OH 3.49Å; E15-F27 WeakPolarHBondContact O-CA 3.36Å; E15-F27 WeakPolarHBondContact O-CD2 3.48Å; E15-L28 HydrophobicContact CB-CB 4.42Å; E15-L28 PolarHBondContact N-O 2.89Å; E15-L28 PolarHBondContact O-N 3.02Å; E15-R30 IonicContact OE1-NE 2.68Å; E15-R30 IonicContact OE2-CZ 3.73Å; E15-R30 IonicContact OE2-NE 3.67Å; E15-R30 PolarHBondContact OE2-NE 3.39Å; E15-R30 IonicContact OE2-NH2 3.7Å
16C98.5Very high97.1Very high38 Ų3887.9 Ų87.926%0.25746%0.458SS..EExtended strand (participates in β ladder)trans-119.4115.8175-65.10000108.8F18 C80C16-F18 HydrophobicContact CB-CD2 4.39Å; C16-F18 HydrophobicContact CB-CE1 4.43Å; C16-F18 HydrophobicContact CB-CE2 3.47Å; C16-F18 VanDerWaalsContact CB-CE2 3.47Å; C16-F18 HydrophobicContact CB-CZ 3.5Å; C16-F18 VanDerWaalsContact CB-CZ 3.5Å; C16-F18 WeakPolarHBondContact O-CD2 3.42Å; C16-F18 WeakPolarHBondContact O-CE2 3.39Å; C16-C80 HydrophobicContact CB-CB 3.57Å; C16-C80 WeakPolarHBondContact CB-SG 3.33Å; C16-C80 WeakPolarHBondContact SG-CA 3.43Å; C16-C80 WeakPolarHBondContact SG-CB 3.46Å; C16-C80 CovalentContact SG-SG 2.03Å; C16-C80 PolarHBondContact SG-SG 2.84Å
17Y98.3Very high97.4Very high98 Ų9879.8 Ų79.838%0.38442%0.419SS..EExtended strand (participates in β ladder)trans-100.4122177-60.8-86.7000109.5E15 V25 R26 L28E15-Y17 HydrophobicContact CB-CE2 3.81Å; E15-Y17 PolarHBondContact OE2-OH 3.49Å; Y17-V25 WeakPolarHBondContact O-CA 3.12Å; Y17-R26 PolarHBondContact N-O 3.3Å; Y17-R26 PolarHBondContact O-N 2.98Å; Y17-L28 HydrophobicContact CE2-CB 4.13Å; Y17-L28 HydrophobicContact CE2-CD2 4.1Å
18F98.2Very high97.6Very high71 Ų7174 Ų7431%0.31139%0.389SS..EExtended strand (participates in β ladder)trans-109.6131.4-176.1-60.2-81.2000109.8C16 G21 T22 V25 C80 Y84C16-F18 HydrophobicContact CB-CD2 4.39Å; C16-F18 HydrophobicContact CB-CE1 4.43Å; C16-F18 HydrophobicContact CB-CE2 3.47Å; C16-F18 VanDerWaalsContact CB-CE2 3.47Å; C16-F18 HydrophobicContact CB-CZ 3.5Å; C16-F18 VanDerWaalsContact CB-CZ 3.5Å; C16-F18 WeakPolarHBondContact O-CD2 3.42Å; C16-F18 WeakPolarHBondContact O-CE2 3.39Å; F18-G21 WeakPolarHBondContact CB-O 3.4Å; F18-T22 HydrophobicContact CD1-CG2 4.44Å; F18-V25 HydrophobicContact CD1-CG1 4.23Å; F18-V25 HydrophobicContact CD1-CG2 3.89Å; F18-V25 HydrophobicContact CE1-CG1 4.04Å; F18-V25 HydrophobicContact CE1-CG2 4.22Å; F18-C80 HydrophobicContact CE1-CB 3.98Å; F18-C80 WeakPolarHBondContact CE1-O 3.25Å; F18-C80 HydrophobicContact CZ-CB 3.89Å; F18-C80 VanDerWaalsContact CZ-O 3.29Å; F18-C80 WeakPolarHBondContact CZ-O 3.41Å; F18-Y84 HydrophobicContact CB-CD2 4.35Å; F18-Y84 HydrophobicContact CB-CE2 4.23Å; F18-Y84 AromaticContact CD1-CD2 3.52Å; F18-Y84 HydrophobicContact CD1-CD2 3.52Å; F18-Y84 HydrophobicContact CD1-CE2 4.16Å; F18-Y84 HydrophobicContact CD1-CG 4.2Å; F18-Y84 AromaticContact CD2-CD2 3.97Å; F18-Y84 HydrophobicContact CD2-CD2 3.97Å; F18-Y84 AromaticContact CE1-CD2 3.69Å; F18-Y84 HydrophobicContact CE1-CD2 3.69Å; F18-Y84 HydrophobicContact CE1-CG 4.03Å; F18-Y84 HydrophobicContact CE2-CD2 4.11Å; F18-Y84 AromaticContact CG-CD2 3.68Å; F18-Y84 HydrophobicContact CG-CD2 3.68Å; F18-Y84 HydrophobicContact CG-CE2 4.05Å; F18-Y84 AromaticContact CZ-CD2 3.97Å; F18-Y84 HydrophobicContact CZ-CD2 3.97Å; F18-Y84 HydrophobicContact CZ-CG 4.4Å
19T97.4Very high97.7Very high89 Ų8968.3 Ų68.355%0.54637%0.365SS..EExtended strand (participates in β ladder)trans-133.4132.7174.3-56.20000109.7K24T19-K24 PolarHBondContact N-O 2.97Å; T19-K24 PolarHBondContact O-N 2.88Å
20N95.4Very high97.7Very high124 Ų12468.7 Ų68.766%0.66336%0.361SS*.THydrogen-bonded Turntrans52.660.4-171.3-16226.2000111.9T22 E23N20-T22 PolarHBondContact O-N 3.49Å; N20-E23 HydrophobicContact CB-CB 4.26Å; N20-E23 PolarHBondContact ND2-OE2 3.3Å; N20-E23 WeakPolarHBondContact O-CB 3.47Å; N20-E23 PolarHBondContact O-N 3.43Å
21G93.9Very high97.7Very high30 Ų3064.6 Ų64.631%0.30934%0.338SS..THydrogen-bonded Turntrans64.8-118.9-171.500000110.9F18F18-G21 WeakPolarHBondContact CB-O 3.4Å
22T96.6Very high97.7Very high39 Ų3962 Ų6224%0.23933%0.326CS..THydrogen-bonded Turntrans-103.49.7176.862.10000113F18 N20 K24 V25 R81 Y84F18-T22 HydrophobicContact CD1-CG2 4.44Å; N20-T22 PolarHBondContact O-N 3.49Å; T22-K24 PolarHBondContact O-N 3.35Å; T22-V25 WeakPolarHBondContact O-CG2 3.45Å; T22-R81 PolarHBondContact O-NH1 2.84Å; T22-R81 PolarHBondContact O-NH2 3.26Å; T22-R81 VanDerWaalsContact O-NH2 3.08Å; T22-Y84 HydrophobicContact CG2-CD1 3.41Å; T22-Y84 VanDerWaalsContact CG2-CD1 3.41Å; T22-Y84 HydrophobicContact CG2-CD2 4.14Å; T22-Y84 HydrophobicContact CG2-CE1 3.81Å; T22-Y84 HydrophobicContact CG2-CE2 4.45Å; T22-Y84 HydrophobicContact CG2-CG 3.61Å
23E94.9Very high97.7Very high120 Ų12062.1 Ų62.156%0.56131%0.314SS*.THydrogen-bonded Turntrans-57.8-56.6-177.4-171.2-172147.200111.4N20 R81N20-E23 HydrophobicContact CB-CB 4.26Å; N20-E23 PolarHBondContact ND2-OE2 3.3Å; N20-E23 WeakPolarHBondContact O-CB 3.47Å; N20-E23 PolarHBondContact O-N 3.43Å; E23-R81 PolarHBondContact O-NH2 3.46Å
24K97.6Very high97.7Very high140 Ų14060.3 Ų60.361%0.60931%0.308SS*.EExtended strand (participates in β ladder)trans-108.2125.4175.3-64.3178.6-176.41780109.3T19 T22T19-K24 PolarHBondContact N-O 2.97Å; T19-K24 PolarHBondContact O-N 2.88Å; T22-K24 PolarHBondContact O-N 3.35Å
25V98.4Very high97.7Very high18 Ų1864.7 Ų64.711%0.10932%0.321CS..EExtended strand (participates in β ladder)trans-134.5121.9-179-176.90000108.7Y17 F18 T22 V76 C80 R81Y17-V25 WeakPolarHBondContact O-CA 3.12Å; F18-V25 HydrophobicContact CD1-CG1 4.23Å; F18-V25 HydrophobicContact CD1-CG2 3.89Å; F18-V25 HydrophobicContact CE1-CG1 4.04Å; F18-V25 HydrophobicContact CE1-CG2 4.22Å; T22-V25 WeakPolarHBondContact O-CG2 3.45Å; V25-V76 HydrophobicContact CB-CG1 3.95Å; V25-V76 HydrophobicContact CG1-CG1 3.95Å; V25-C80 HydrophobicContact CG1-CB 3.55Å; V25-R81 HydrophobicContact CG2-CG 4.07Å
26R98.3Very high97.7Very high92 Ų9266.6 Ų66.635%0.34733%0.33SS..EExtended strand (participates in β ladder)trans-109.3128.9171.4-179-177.7178.9-163.90108.9Y17 D42 S43 D44Y17-R26 PolarHBondContact N-O 3.3Å; Y17-R26 PolarHBondContact O-N 2.98Å; R26-D42 IonicContact CZ-OD1 2.72Å; R26-D42 IonicContact CZ-OD2 3.8Å; R26-D42 IonicContact NE-OD1 2.62Å; R26-D42 PolarHBondContact NE-OD1 3.45Å; R26-D42 IonicContact NE-OD2 2.8Å; R26-D42 PolarHBondContact NE-OD2 3.44Å; R26-D42 IonicContact NH2-OD1 3.37Å; R26-D42 IonicContact NH2-OD2 3.59Å; R26-D42 PolarHBondContact NH2-OD2 3.48Å; R26-S43 WeakPolarHBondContact CA-OG 3.31Å; R26-D44 WeakPolarHBondContact CD-OD2 3.48Å; R26-D44 IonicContact NE-OD2 3.38Å
27F98.6Very high97.7Very high12 Ų1266.6 Ų66.65%0.05333%0.326CS..EExtended strand (participates in β ladder)trans-105.9127.5173.7177.8-116.4000109.4A14 E15 V29 F41 S43 A75 V76 C80A14-F27 HydrophobicContact CB-CE2 4.04Å; A14-F27 HydrophobicContact CB-CZ 4.34Å; E15-F27 WeakPolarHBondContact O-CA 3.36Å; E15-F27 WeakPolarHBondContact O-CD2 3.48Å; F27-V29 HydrophobicContact CD1-CG2 4.15Å; F27-V29 HydrophobicContact CE1-CG2 3.23Å; F27-V29 HydrophobicContact CE2-CG2 3.96Å; F27-V29 HydrophobicContact CZ-CG2 3.13Å; F27-F41 HydrophobicContact CD1-CD1 4.07Å; F27-F41 HydrophobicContact CD1-CE1 4.11Å; F27-F41 HydrophobicContact CE1-CD1 4.34Å; F27-S43 PolarHBondContact N-OG 2.93Å; F27-S43 WeakPolarHBondContact O-CB 3.43Å; F27-S43 PolarHBondContact O-N 2.96Å; F27-S43 PolarHBondContact O-OG 3.42Å; F27-A75 HydrophobicContact CD1-CB 3.59Å; F27-A75 HydrophobicContact CD2-CB 4.5Å; F27-A75 HydrophobicContact CE1-CB 3.29Å; F27-A75 HydrophobicContact CE2-CB 4.26Å; F27-A75 HydrophobicContact CG-CB 4.17Å; F27-A75 HydrophobicContact CZ-CB 3.65Å; F27-V76 HydrophobicContact CB-CG2 3.71Å; F27-C80 WeakPolarHBondContact CD2-SG 3.12Å
28L98.5Very high97.7Very high3 Ų362.8 Ų62.82%0.01631%0.311CS..EExtended strand (participates in β ladder)trans-131.7119.4-178.1-177.466.7000108.9E15 Y17 R30 H40 F41 D42E15-L28 HydrophobicContact CB-CB 4.42Å; E15-L28 PolarHBondContact N-O 2.89Å; E15-L28 PolarHBondContact O-N 3.02Å; Y17-L28 HydrophobicContact CE2-CB 4.13Å; Y17-L28 HydrophobicContact CE2-CD2 4.1Å; L28-R30 HydrophobicContact CD2-CG 4.22Å; L28-R30 VanDerWaalsContact CD2-CZ 3.47Å; L28-R30 HydrophobicContact CG-CG 4.08Å; L28-H40 HydrophobicContact CD1-CB 4.03Å; L28-F41 CarbonylContact C-O 3.56Å; L28-F41 VanDerWaalsContact CA-O 3.31Å; L28-F41 WeakPolarHBondContact CA-O 3.48Å; L28-F41 WeakPolarHBondContact CD1-O 3.2Å; L28-D42 HydrophobicContact CD1-CB 3.94Å
29V98.4Very high97.7Very high21 Ų2159.4 Ų59.413%0.12730%0.296CS..EExtended strand (participates in β ladder)trans-105.8114.8172.2-171.90000108.7K13 F27 F31 H40 F41K13-V29 CarbonylContact O-C 3.52Å; K13-V29 VanDerWaalsContact O-CA 3.26Å; K13-V29 WeakPolarHBondContact O-CA 3.5Å; F27-V29 HydrophobicContact CD1-CG2 4.15Å; F27-V29 HydrophobicContact CE1-CG2 3.23Å; F27-V29 HydrophobicContact CE2-CG2 3.96Å; F27-V29 HydrophobicContact CZ-CG2 3.13Å; V29-F31 HydrophobicContact CB-CE2 4.16Å; V29-F31 HydrophobicContact CG1-CD2 4.3Å; V29-F31 HydrophobicContact CG1-CE1 4.49Å; V29-F31 HydrophobicContact CG1-CE2 3.53Å; V29-F31 HydrophobicContact CG1-CZ 3.65Å; V29-H40 CarbonylContact O-C 3.57Å; V29-H40 WeakPolarHBondContact O-CA 3.46Å; V29-H40 WeakPolarHBondContact O-CB 3.42Å; V29-F41 HydrophobicContact CB-CB 4.29Å; V29-F41 PolarHBondContact N-O 2.95Å; V29-F41 PolarHBondContact O-N 3.12Å
30R98.6Very high97.8Very high65 Ų6556.3 Ų56.325%0.24528%0.276CS..EExtended strand (participates in β ladder)trans-100.4135.7177.5-57178.1-175.4-103.31.5110.4A12 K13 E15 L28 I32 E37 H40A12-R30 CarbonylContact C-O 3.57Å; A12-R30 VanDerWaalsContact CA-O 3.28Å; A12-R30 WeakPolarHBondContact CA-O 3.28Å; K13-R30 HydrophobicContact CB-CB 4.41Å; K13-R30 PolarHBondContact N-O 2.9Å; K13-R30 PolarHBondContact O-N 3.21Å; E15-R30 IonicContact OE1-NE 2.68Å; E15-R30 IonicContact OE2-CZ 3.73Å; E15-R30 IonicContact OE2-NE 3.67Å; E15-R30 PolarHBondContact OE2-NE 3.39Å; E15-R30 IonicContact OE2-NH2 3.7Å; L28-R30 HydrophobicContact CD2-CG 4.22Å; L28-R30 VanDerWaalsContact CD2-CZ 3.47Å; L28-R30 HydrophobicContact CG-CG 4.08Å; R30-I32 HydrophobicContact CB-CD1 3.83Å; R30-E37 HydrophobicContact CB-CG 4.16Å; R30-E37 WeakPolarHBondContact CD-OE2 3.31Å; R30-E37 IonicContact CZ-OE2 2.93Å; R30-E37 IonicContact NE-OE2 3.08Å; R30-E37 IonicContact NH1-OE1 2.64Å; R30-E37 PolarHBondContact NH1-OE1 2.96Å; R30-E37 IonicContact NH1-OE2 3.76Å; R30-E37 PolarHBondContact NH1-OE2 2.97Å; R30-H40 HydrophobicContact CG-CB 4.42Å
31F98.6Very high97.9Very high39 Ų3950.4 Ų50.417%0.17124%0.244CC..EExtended strand (participates in β ladder)trans-111.9122.7172.1-61.4-94.8000108.5A12 V29 E37 Y38 L39 F48 W62A12-F31 HydrophobicContact CB-CD1 4.33Å; A12-F31 HydrophobicContact CB-CE1 4.4Å; V29-F31 HydrophobicContact CB-CE2 4.16Å; V29-F31 HydrophobicContact CG1-CD2 4.3Å; V29-F31 HydrophobicContact CG1-CE1 4.49Å; V29-F31 HydrophobicContact CG1-CE2 3.53Å; V29-F31 HydrophobicContact CG1-CZ 3.65Å; F31-E37 WeakPolarHBondContact O-CA 3.32Å; F31-Y38 HydrophobicContact CB-CD1 4.41Å; F31-Y38 HydrophobicContact CB-CE1 3.7Å; F31-Y38 HydrophobicContact CB-CE2 4.19Å; F31-Y38 VanDerWaalsContact O-CD1 3.28Å; F31-Y38 WeakPolarHBondContact O-CD1 3.38Å; F31-Y38 PolarHBondContact O-N 3.11Å; F31-L39 HydrophobicContact CB-CD2 4.48Å; F31-L39 HydrophobicContact CD2-CD2 3.33Å; F31-L39 HydrophobicContact CE2-CD2 3.78Å; F31-L39 HydrophobicContact CG-CD2 4.1Å; F31-L39 PolarHBondContact N-O 3.09Å; F31-F48 HydrophobicContact CE2-CE1 4.18Å; F31-W62 HydrophobicContact CD1-CH2 4Å; F31-W62 HydrophobicContact CD1-CZ3 4.27Å; F31-W62 HydrophobicContact CD2-CH2 4.49Å; F31-W62 HydrophobicContact CD2-CZ3 4Å; F31-W62 AromaticContact CE1-CH2 3.71Å; F31-W62 HydrophobicContact CE1-CH2 3.71Å; F31-W62 AromaticContact CE1-CZ3 3.85Å; F31-W62 HydrophobicContact CE1-CZ3 3.85Å; F31-W62 HydrophobicContact CE2-CH2 4.24Å; F31-W62 AromaticContact CE2-CZ3 3.55Å; F31-W62 HydrophobicContact CE2-CZ3 3.55Å; F31-W62 HydrophobicContact CG-CH2 4.38Å; F31-W62 HydrophobicContact CG-CZ3 4.34Å; F31-W62 AromaticContact CZ-CH2 3.83Å; F31-W62 HydrophobicContact CZ-CH2 3.83Å; F31-W62 AromaticContact CZ-CZ3 3.46Å; F31-W62 HydrophobicContact CZ-CZ3 3.46Å; F31-W62 VanDerWaalsContact CZ-CZ3 3.46Å
32I98.8Very high98.1Very high14 Ų1449.4 Ų49.47%0.07223%0.232CC..EExtended strand (participates in β ladder)trans-125.3128.1-172.3-54.5103.9000109.3I10 Q11 K13 R30 E36 E37I10-I32 WeakPolarHBondContact CA-O 3.45Å; Q11-I32 HydrophobicContact CB-CB 4.23Å; Q11-I32 HydrophobicContact CB-CD1 4.34Å; Q11-I32 PolarHBondContact N-O 2.9Å; Q11-I32 PolarHBondContact O-N 3.32Å; K13-I32 HydrophobicContact CD-CD1 4.17Å; K13-I32 HydrophobicContact CG-CD1 4.11Å; R30-I32 HydrophobicContact CB-CD1 3.83Å; I32-E36 CarbonylContact C-O 3.49Å; I32-E36 VanDerWaalsContact CA-O 3.29Å; I32-E36 WeakPolarHBondContact CA-O 3.42Å; I32-E37 HydrophobicContact CG1-CB 4Å; I32-E37 HydrophobicContact CG1-CG 4.22Å
33F98.4Very high98.2Very high75 Ų7548.8 Ų48.833%0.32923%0.229SC..EExtended strand (participates in β ladder)trans-107.4121.1168.5-177.8-110.6000108.9F8 L35 E36 Y38 L54F8-F33 HydrophobicContact CB-CE2 4.44Å; F8-F33 AromaticContact CD1-CZ 3.88Å; F8-F33 HydrophobicContact CD1-CZ 3.88Å; F33-L35 PolarHBondContact O-N 3.26Å; F33-E36 PolarHBondContact N-O 3.4Å; F33-E36 WeakPolarHBondContact O-CB 3.41Å; F33-E36 PolarHBondContact O-N 2.74Å; F33-Y38 HydrophobicContact CB-CD1 4.01Å; F33-Y38 HydrophobicContact CB-CE1 4.2Å; F33-L54 HydrophobicContact CB-CD2 4.03Å; F33-L54 HydrophobicContact CD1-CD2 4.21Å; F33-L54 HydrophobicContact CG-CD2 4.34Å
34N97.4Very high98.3Very high58 Ų5848.4 Ų48.431%0.3123%0.231SC..THydrogen-bonded Turntrans52.9-98.4-164.5-60-38.9000111.3V9 Q11V9-N34 PolarHBondContact N-OD1 3.14Å; V9-N34 PolarHBondContact O-N 3.02Å; Q11-N34 PolarHBondContact NE2-O 2.82Å
35L97.7Very high98.3Very high165 Ų16546.6 Ų46.686%0.86423%0.227SC*.THydrogen-bonded Turntrans-1210.7175.5-60.9177.4000112.6F33F33-L35 PolarHBondContact O-N 3.26Å
36E98.4Very high98.3Very high87 Ų8746.2 Ų46.241%0.40723%0.227SC..EExtended strand (participates in β ladder)trans-89.5108179.2-174.7-177.6157.600109.7I32 F33 Y38 T52I32-E36 CarbonylContact C-O 3.49Å; I32-E36 VanDerWaalsContact CA-O 3.29Å; I32-E36 WeakPolarHBondContact CA-O 3.42Å; F33-E36 PolarHBondContact N-O 3.4Å; F33-E36 WeakPolarHBondContact O-CB 3.41Å; F33-E36 PolarHBondContact O-N 2.74Å; E36-Y38 PolarHBondContact O-N 3.45Å; E36-T52 HydrophobicContact CG-CG2 3.91Å; E36-T52 WeakPolarHBondContact OE1-CB 3.15Å; E36-T52 VanDerWaalsContact OE1-CG2 3.23Å; E36-T52 WeakPolarHBondContact OE1-CG2 3.31Å; E36-T52 PolarHBondContact OE1-OG1 2.98Å
37E98.5Very high98.3Very high38 Ų3845.1 Ų45.118%0.17823%0.228CC..EExtended strand (participates in β ladder)trans-72106.6165.6-174.1-173.1152.600108.4R30 F31 I32 H40 L51R30-E37 HydrophobicContact CB-CG 4.16Å; R30-E37 WeakPolarHBondContact CD-OE2 3.31Å; R30-E37 IonicContact CZ-OE2 2.93Å; R30-E37 IonicContact NE-OE2 3.08Å; R30-E37 IonicContact NH1-OE1 2.64Å; R30-E37 PolarHBondContact NH1-OE1 2.96Å; R30-E37 IonicContact NH1-OE2 3.76Å; R30-E37 PolarHBondContact NH1-OE2 2.97Å; F31-E37 WeakPolarHBondContact O-CA 3.32Å; I32-E37 HydrophobicContact CG1-CB 4Å; I32-E37 HydrophobicContact CG1-CG 4.22Å; E37-H40 IonicContact OE1-CG 3.92Å; E37-H40 IonicContact OE1-ND1 3.64Å; E37-H40 PolarHBondContact OE1-ND1 3.31Å; E37-H40 VanDerWaalsContact OE1-ND1 3.08Å; E37-L51 HydrophobicContact CB-CD1 4.2Å; E37-L51 HydrophobicContact CG-CD1 3.74Å; E37-L51 WeakPolarHBondContact O-CB 3.28Å; E37-L51 VanDerWaalsContact OE1-CD1 3.3Å; E37-L51 WeakPolarHBondContact OE1-CD1 3.46Å
38Y98.6Very high98.3Very high18 Ų1844.9 Ų44.97%0.07123%0.226CC..EExtended strand (participates in β ladder)trans-96-23.8-172.766.1-91000112.5F31 F33 E36 L51 T52 L54F31-Y38 HydrophobicContact CB-CD1 4.41Å; F31-Y38 HydrophobicContact CB-CE1 3.7Å; F31-Y38 HydrophobicContact CB-CE2 4.19Å; F31-Y38 VanDerWaalsContact O-CD1 3.28Å; F31-Y38 WeakPolarHBondContact O-CD1 3.38Å; F31-Y38 PolarHBondContact O-N 3.11Å; F33-Y38 HydrophobicContact CB-CD1 4.01Å; F33-Y38 HydrophobicContact CB-CE1 4.2Å; E36-Y38 PolarHBondContact O-N 3.45Å; Y38-L51 PolarHBondContact O-N 3.37Å; Y38-T52 WeakPolarHBondContact CA-OG1 3.32Å; Y38-T52 WeakPolarHBondContact CB-OG1 3.3Å; Y38-T52 PolarHBondContact O-N 2.91Å; Y38-L54 HydrophobicContact CD1-CD2 4.19Å; Y38-L54 HydrophobicContact CD2-CG 4.33Å; Y38-L54 HydrophobicContact CG-CD2 4.02Å; Y38-L54 HydrophobicContact CG-CG 4.23Å
39L98.5Very high98.3Very high0 Ų046.7 Ų46.70%024%0.238CC..EExtended strand (participates in β ladder)trans-155.2146.6-177.3176.8148.9000111F31 F48 V49 D58 A59 W62F31-L39 HydrophobicContact CB-CD2 4.48Å; F31-L39 HydrophobicContact CD2-CD2 3.33Å; F31-L39 HydrophobicContact CE2-CD2 3.78Å; F31-L39 HydrophobicContact CG-CD2 4.1Å; F31-L39 PolarHBondContact N-O 3.09Å; L39-F48 HydrophobicContact CD2-CB 4.46Å; L39-F48 HydrophobicContact CD2-CD1 3.71Å; L39-F48 HydrophobicContact CD2-CE1 4.48Å; L39-V49 WeakPolarHBondContact CA-O 3.39Å; L39-D58 HydrophobicContact CD1-CB 3.56Å; L39-A59 HydrophobicContact CD1-CB 3.75Å; L39-A59 VanDerWaalsContact CD1-N 3.27Å; L39-W62 HydrophobicContact CD1-CE3 4.5Å; L39-W62 HydrophobicContact CD2-CE3 3.92Å; L39-W62 HydrophobicContact CD2-CH2 4.46Å; L39-W62 HydrophobicContact CD2-CZ3 3.58Å
40H98.6Very high98.3Very high24 Ų2447.2 Ų47.211%0.11124%0.244CC..EExtended strand (participates in β ladder)trans-140.4157.6166.361.8-120.9000113.5L28 V29 R30 E37 F48 V49L28-H40 HydrophobicContact CD1-CB 4.03Å; V29-H40 CarbonylContact O-C 3.57Å; V29-H40 WeakPolarHBondContact O-CA 3.46Å; V29-H40 WeakPolarHBondContact O-CB 3.42Å; R30-H40 HydrophobicContact CG-CB 4.42Å; E37-H40 IonicContact OE1-CG 3.92Å; E37-H40 IonicContact OE1-ND1 3.64Å; E37-H40 PolarHBondContact OE1-ND1 3.31Å; E37-H40 VanDerWaalsContact OE1-ND1 3.08Å; H40-F48 CarbonylContact O-C 3.56Å; H40-F48 VanDerWaalsContact O-CA 3.25Å; H40-F48 WeakPolarHBondContact O-CA 3.38Å; H40-V49 PolarHBondContact N-O 3.47Å; H40-V49 PolarHBondContact O-N 3.5Å
41F98.7Very high98.3Very high0 Ų048.3 Ų48.30%025%0.254CS..EExtended strand (participates in β ladder)trans-99126.6159.6176.2-92.2000109.5F27 L28 V29 F48 L69 S72 R73F27-F41 HydrophobicContact CD1-CD1 4.07Å; F27-F41 HydrophobicContact CD1-CE1 4.11Å; F27-F41 HydrophobicContact CE1-CD1 4.34Å; L28-F41 CarbonylContact C-O 3.56Å; L28-F41 VanDerWaalsContact CA-O 3.31Å; L28-F41 WeakPolarHBondContact CA-O 3.48Å; L28-F41 WeakPolarHBondContact CD1-O 3.2Å; V29-F41 HydrophobicContact CB-CB 4.29Å; V29-F41 PolarHBondContact N-O 2.95Å; V29-F41 PolarHBondContact O-N 3.12Å; F41-F48 HydrophobicContact CB-CD1 3.58Å; F41-F48 HydrophobicContact CB-CE1 3.55Å; F41-F48 HydrophobicContact CB-CG 4.26Å; F41-F48 HydrophobicContact CB-CZ 4.16Å; F41-F48 HydrophobicContact CD2-CD1 4.32Å; F41-F48 HydrophobicContact CD2-CD2 4.07Å; F41-F48 HydrophobicContact CD2-CE1 4.29Å; F41-F48 AromaticContact CD2-CE2 3.99Å; F41-F48 HydrophobicContact CD2-CE2 3.99Å; F41-F48 HydrophobicContact CD2-CG 4.25Å; F41-F48 HydrophobicContact CD2-CZ 4.12Å; F41-F48 HydrophobicContact CG-CD1 4.45Å; F41-F48 HydrophobicContact CG-CE1 4.3Å; F41-F48 HydrophobicContact CG-CZ 4.45Å; F41-L69 HydrophobicContact CE2-CD2 4.18Å; F41-S72 WeakPolarHBondContact CE1-O 3.36Å; F41-S72 VanDerWaalsContact CE2-CB 3.48Å; F41-S72 VanDerWaalsContact CZ-CB 3.49Å; F41-R73 HydrophobicContact CE2-CG 4.34Å; F41-R73 HydrophobicContact CZ-CB 4.48Å; F41-R73 HydrophobicContact CZ-CG 3.81Å
42D98.4Very high98.2Very high10 Ų1048.4 Ų48.45%0.05326%0.258CS..EExtended strand (participates in β ladder)trans-115.5123.2174.9-172.9-8.1000110.4R26 L28 D44 L45 G46 L47R26-D42 IonicContact CZ-OD1 2.72Å; R26-D42 IonicContact CZ-OD2 3.8Å; R26-D42 IonicContact NE-OD1 2.62Å; R26-D42 PolarHBondContact NE-OD1 3.45Å; R26-D42 IonicContact NE-OD2 2.8Å; R26-D42 PolarHBondContact NE-OD2 3.44Å; R26-D42 IonicContact NH2-OD1 3.37Å; R26-D42 IonicContact NH2-OD2 3.59Å; R26-D42 PolarHBondContact NH2-OD2 3.48Å; L28-D42 HydrophobicContact CD1-CB 3.94Å; D42-D44 PolarHBondContact O-N 2.85Å; D42-D44 PolarHBondContact OD1-N 3.29Å; D42-L45 HydrophobicContact CB-CB 4.33Å; D42-L45 HydrophobicContact CB-CD1 4.18Å; D42-L45 HydrophobicContact CB-CG 4.19Å; D42-L45 CarbonylContact O-C 3.4Å; D42-L45 PolarHBondContact O-N 3.4Å; D42-L45 VanDerWaalsContact O-N 3.12Å; D42-G46 PolarHBondContact O-N 3.47Å; D42-L47 PolarHBondContact N-O 2.98Å
43S98.3Very high98.2Very high26 Ų2655.7 Ų55.718%0.18229%0.292CS..THydrogen-bonded Turntrans-62.4-27.8179.364.80000113.7R26 F27 L45 G46R26-S43 WeakPolarHBondContact CA-OG 3.31Å; F27-S43 PolarHBondContact N-OG 2.93Å; F27-S43 WeakPolarHBondContact O-CB 3.43Å; F27-S43 PolarHBondContact O-N 2.96Å; F27-S43 PolarHBondContact O-OG 3.42Å; S43-L45 VanDerWaalsContact C-N 3.25Å; S43-L45 PolarHBondContact O-N 3.49Å; S43-G46 PolarHBondContact O-N 3.26Å
44D97.9Very high98.2Very high112 Ų11256.5 Ų56.560%0.59930%0.299SS*.THydrogen-bonded Turntrans-70.5-27.4178.9-69.5-4.5000111.3R26 D42R26-D44 WeakPolarHBondContact CD-OD2 3.48Å; R26-D44 IonicContact NE-OD2 3.38Å; D42-D44 PolarHBondContact O-N 2.85Å; D42-D44 PolarHBondContact OD1-N 3.29Å
45L97.8Very high98.2Very high102 Ų10253.8 Ų53.853%0.53429%0.285SS..THydrogen-bonded Turntrans-93.8-27.7173.6-57.7178.9000112.2D42 S43 L47 V49D42-L45 HydrophobicContact CB-CB 4.33Å; D42-L45 HydrophobicContact CB-CD1 4.18Å; D42-L45 HydrophobicContact CB-CG 4.19Å; D42-L45 CarbonylContact O-C 3.4Å; D42-L45 PolarHBondContact O-N 3.4Å; D42-L45 VanDerWaalsContact O-N 3.12Å; S43-L45 VanDerWaalsContact C-N 3.25Å; S43-L45 PolarHBondContact O-N 3.49Å; L45-L47 VanDerWaalsContact C-N 3.3Å; L45-L47 HydrophobicContact CB-CG 4.24Å; L45-L47 PolarHBondContact O-N 3.29Å; L45-V49 HydrophobicContact CD1-CG2 3.68Å
46G97.6Very high98.2Very high9 Ų951.8 Ų51.89%0.09327%0.271CS..THydrogen-bonded Turntrans70.321.3-178.200000114.2D42 S43 R73D42-G46 PolarHBondContact O-N 3.47Å; S43-G46 PolarHBondContact O-N 3.26Å; G46-R73 VanDerWaalsContact O-CZ 3.26Å; G46-R73 PolarHBondContact O-NE 3.46Å; G46-R73 PolarHBondContact O-NH2 3.11Å
47L98.3Very high98.2Very high70 Ų7052.8 Ų52.837%0.36628%0.283SS..EExtended strand (participates in β ladder)trans-151.5165.6-177.159.586.7000112.1D42 L45 V49 N63 L69D42-L47 PolarHBondContact N-O 2.98Å; L45-L47 VanDerWaalsContact C-N 3.3Å; L45-L47 HydrophobicContact CB-CG 4.24Å; L45-L47 PolarHBondContact O-N 3.29Å; L47-V49 HydrophobicContact CD1-CG2 3.54Å; L47-N63 WeakPolarHBondContact CB-OD1 3.41Å; L47-L69 HydrophobicContact CB-CD2 4.37Å
48F98.5Very high98.2Very high6 Ų653 Ų533%0.02629%0.285CS..EExtended strand (participates in β ladder)trans-82.2133.1174-64.1-89.4000110.6F31 L39 H40 F41 W62 N63 L68 L69F31-F48 HydrophobicContact CE2-CE1 4.18Å; L39-F48 HydrophobicContact CD2-CB 4.46Å; L39-F48 HydrophobicContact CD2-CD1 3.71Å; L39-F48 HydrophobicContact CD2-CE1 4.48Å; H40-F48 CarbonylContact O-C 3.56Å; H40-F48 VanDerWaalsContact O-CA 3.25Å; H40-F48 WeakPolarHBondContact O-CA 3.38Å; F41-F48 HydrophobicContact CB-CD1 3.58Å; F41-F48 HydrophobicContact CB-CE1 3.55Å; F41-F48 HydrophobicContact CB-CG 4.26Å; F41-F48 HydrophobicContact CB-CZ 4.16Å; F41-F48 HydrophobicContact CD2-CD1 4.32Å; F41-F48 HydrophobicContact CD2-CD2 4.07Å; F41-F48 HydrophobicContact CD2-CE1 4.29Å; F41-F48 AromaticContact CD2-CE2 3.99Å; F41-F48 HydrophobicContact CD2-CE2 3.99Å; F41-F48 HydrophobicContact CD2-CG 4.25Å; F41-F48 HydrophobicContact CD2-CZ 4.12Å; F41-F48 HydrophobicContact CG-CD1 4.45Å; F41-F48 HydrophobicContact CG-CE1 4.3Å; F41-F48 HydrophobicContact CG-CZ 4.45Å; F48-W62 AromaticContact CD1-CE3 3.58Å; F48-W62 HydrophobicContact CD1-CE3 3.58Å; F48-W62 HydrophobicContact CD1-CZ3 4.14Å; F48-W62 HydrophobicContact CD2-CB 3.82Å; F48-W62 AromaticContact CE1-CE3 3.43Å; F48-W62 HydrophobicContact CE1-CE3 3.43Å; F48-W62 VanDerWaalsContact CE1-CE3 3.43Å; F48-W62 AromaticContact CE1-CZ3 3.87Å; F48-W62 HydrophobicContact CE1-CZ3 3.87Å; F48-W62 HydrophobicContact CE2-CB 4.06Å; F48-W62 HydrophobicContact CE2-CE3 4.47Å; F48-W62 HydrophobicContact CG-CB 4.16Å; F48-W62 HydrophobicContact CG-CE3 4.14Å; F48-W62 AromaticContact CZ-CE3 3.92Å; F48-W62 HydrophobicContact CZ-CE3 3.92Å; F48-N63 PolarHBondContact N-OD1 3.23Å; F48-N63 PolarHBondContact O-ND2 3.1Å; F48-L68 HydrophobicContact CE2-CD2 3.77Å; F48-L68 HydrophobicContact CE2-CG 3.8Å; F48-L68 HydrophobicContact CZ-CD1 4.32Å; F48-L68 HydrophobicContact CZ-CD2 3.76Å; F48-L68 HydrophobicContact CZ-CG 3.79Å; F48-L69 HydrophobicContact CD2-CD2 3.83Å; F48-L69 HydrophobicContact CE2-CD2 3.97Å
49V98.4Very high98.1Very high42 Ų4252.5 Ų52.526%0.25529%0.285SS..EExtended strand (participates in β ladder)trans-121.3125.1-179.2-175.90000108.4L39 H40 L45 L47L39-V49 WeakPolarHBondContact CA-O 3.39Å; H40-V49 PolarHBondContact N-O 3.47Å; H40-V49 PolarHBondContact O-N 3.5Å; L45-V49 HydrophobicContact CD1-CG2 3.68Å; L47-V49 HydrophobicContact CD1-CG2 3.54Å
50A98.4Very high98.1Very high32 Ų3256.8 Ų56.826%0.26431%0.308SS..EExtended strand (participates in β ladder)trans-74.1132.1168.900000109.5G55 E56 A59A50-G55 VanDerWaalsContact CB-C 3.47Å; A50-E56 HydrophobicContact CB-CG 4.21Å; A50-A59 HydrophobicContact CB-CB 3.9Å
51L98.1Very high98.1Very high87 Ų8760.7 Ų60.746%0.45533%0.326SS..SBendtrans-98.2-25.3173.7-69-174000112.2E37 Y38E37-L51 HydrophobicContact CB-CD1 4.2Å; E37-L51 HydrophobicContact CG-CD1 3.74Å; E37-L51 WeakPolarHBondContact O-CB 3.28Å; E37-L51 VanDerWaalsContact OE1-CD1 3.3Å; E37-L51 WeakPolarHBondContact OE1-CD1 3.46Å; Y38-L51 PolarHBondContact O-N 3.37Å
52T98.2Very high98Very high41 Ų4162.8 Ų62.825%0.25233%0.334SS..SBendtrans-137.6167.6179.172.80000110.4E36 Y38 L54 G55E36-T52 HydrophobicContact CG-CG2 3.91Å; E36-T52 WeakPolarHBondContact OE1-CB 3.15Å; E36-T52 VanDerWaalsContact OE1-CG2 3.23Å; E36-T52 WeakPolarHBondContact OE1-CG2 3.31Å; E36-T52 PolarHBondContact OE1-OG1 2.98Å; Y38-T52 WeakPolarHBondContact CA-OG1 3.32Å; Y38-T52 WeakPolarHBondContact CB-OG1 3.3Å; Y38-T52 PolarHBondContact O-N 2.91Å; T52-L54 PolarHBondContact O-N 3.32Å; T52-L54 VanDerWaalsContact O-N 3.16Å; T52-G55 PolarHBondContact O-N 3.5Å
53E97.6Very high98Very high168 Ų16864.5 Ų64.579%0.78534%0.343SS*.Hα-helixtrans-55.1-33.5-180-65.9-177.917900112.3G55 E56E53-G55 PolarHBondContact O-N 3.02Å; E53-E56 PolarHBondContact O-N 3.48Å
54L97.8Very high98Very high92 Ų9270.1 Ų70.148%0.48236%0.364SS..Hα-helixtrans-59.5-32.4177.8-176.862.9000112.3F33 Y38 T52F33-L54 HydrophobicContact CB-CD2 4.03Å; F33-L54 HydrophobicContact CD1-CD2 4.21Å; F33-L54 HydrophobicContact CG-CD2 4.34Å; Y38-L54 HydrophobicContact CD1-CD2 4.19Å; Y38-L54 HydrophobicContact CD2-CG 4.33Å; Y38-L54 HydrophobicContact CG-CD2 4.02Å; Y38-L54 HydrophobicContact CG-CG 4.23Å; T52-L54 PolarHBondContact O-N 3.32Å; T52-L54 VanDerWaalsContact O-N 3.16Å
55G98.3Very high98Very high0 Ų069.7 Ų69.70%035%0.354CS..Hα-helixtrans-88.5-9.3-178.200000115.8A50 T52 E53 V57 D58 A59A50-G55 VanDerWaalsContact CB-C 3.47Å; T52-G55 PolarHBondContact O-N 3.5Å; E53-G55 PolarHBondContact O-N 3.02Å; G55-V57 PolarHBondContact O-N 2.95Å; G55-D58 PolarHBondContact O-N 3.49Å; G55-A59 WeakPolarHBondContact O-CB 3.35Å; G55-A59 PolarHBondContact O-N 2.84Å
56E98.2Very high98Very high124 Ų12470.4 Ų70.458%0.57936%0.358SS*.Hα-helixtrans-60.9-44.2-173.7-70.4-173.4172.700112.5A50 E53 A59 D60A50-E56 HydrophobicContact CB-CG 4.21Å; E53-E56 PolarHBondContact O-N 3.48Å; E56-A59 PolarHBondContact O-N 3.07Å; E56-D60 WeakPolarHBondContact O-CB 3.45Å; E56-D60 PolarHBondContact O-N 2.98Å
57V97.7Very high98Very high107 Ų10774.5 Ų74.565%0.64838%0.378SS*.Hα-helixtrans-64.4-46.4-179.8179.50000110.7G55 Q61G55-V57 PolarHBondContact O-N 2.95Å; V57-Q61 VanDerWaalsContact O-CB 3.31Å; V57-Q61 WeakPolarHBondContact O-CB 3.27Å; V57-Q61 PolarHBondContact O-N 3.13Å
58D97.9Very high97.9Very high42 Ų4272.9 Ų72.923%0.22537%0.369CS..Hα-helixtrans-66-43.3179.2-77.8-25.8000111.2L39 G55 D60 Q61 W62L39-D58 HydrophobicContact CD1-CB 3.56Å; G55-D58 PolarHBondContact O-N 3.49Å; D58-D60 PolarHBondContact O-N 3.3Å; D58-Q61 PolarHBondContact O-N 2.91Å; D58-W62 HydrophobicContact CB-CD2 4.46Å; D58-W62 HydrophobicContact CB-CZ2 4.35Å; D58-W62 WeakPolarHBondContact O-CB 3.32Å; D58-W62 VanDerWaalsContact O-CD1 3.26Å; D58-W62 PolarHBondContact O-N 3.47Å
59A98.1Very high97.8Very high9 Ų973 Ų737%0.07437%0.37CS..Hα-helixtrans-62-46.7179.400000111.5L39 A50 G55 E56 N63L39-A59 HydrophobicContact CD1-CB 3.75Å; L39-A59 VanDerWaalsContact CD1-N 3.27Å; A50-A59 HydrophobicContact CB-CB 3.9Å; G55-A59 WeakPolarHBondContact O-CB 3.35Å; G55-A59 PolarHBondContact O-N 2.84Å; E56-A59 PolarHBondContact O-N 3.07Å; A59-N63 VanDerWaalsContact O-CB 3.23Å; A59-N63 WeakPolarHBondContact O-CB 3.39Å; A59-N63 PolarHBondContact O-N 3.27Å; A59-N63 PolarHBondContact O-ND2 3.08Å
60D97.7Very high97.8Very high90 Ų9077 Ų7748%0.48139%0.386SS..Hα-helixtrans-62-45.8176.6177.765.6000111.6E56 D58 K64E56-D60 WeakPolarHBondContact O-CB 3.45Å; E56-D60 PolarHBondContact O-N 2.98Å; D58-D60 PolarHBondContact O-N 3.3Å; D60-K64 WeakPolarHBondContact O-CD 3.37Å; D60-K64 WeakPolarHBondContact O-CG 3.01Å; D60-K64 PolarHBondContact O-N 3.3Å; D60-K64 WeakPolarHBondContact OD1-CE 3.4Å; D60-K64 IonicContact OD1-NZ 3.35Å; D60-K64 PolarHBondContact OD1-NZ 2.97Å; D60-K64 IonicContact OD2-NZ 3.62Å; D60-K64 PolarHBondContact OD2-NZ 3.41Å
61Q97.9Very high97.7Very high105 Ų10579.5 Ų79.549%0.49140%0.398SS..Hα-helixtrans-66.7-44.8-179.5-173.9178.54.800112.2V57 D58 K64V57-Q61 VanDerWaalsContact O-CB 3.31Å; V57-Q61 WeakPolarHBondContact O-CB 3.27Å; V57-Q61 PolarHBondContact O-N 3.13Å; D58-Q61 PolarHBondContact O-N 2.91Å; Q61-K64 PolarHBondContact O-N 3.46Å
62W98.2Very high97.7Very high45 Ų4576.1 Ų76.117%0.1738%0.382CS..Hα-helixtrans-75.1-32.3-173.9-67.613.6000111.7F31 L39 F48 D58 K64 R65 L68F31-W62 HydrophobicContact CD1-CH2 4Å; F31-W62 HydrophobicContact CD1-CZ3 4.27Å; F31-W62 HydrophobicContact CD2-CH2 4.49Å; F31-W62 HydrophobicContact CD2-CZ3 4Å; F31-W62 AromaticContact CE1-CH2 3.71Å; F31-W62 HydrophobicContact CE1-CH2 3.71Å; F31-W62 AromaticContact CE1-CZ3 3.85Å; F31-W62 HydrophobicContact CE1-CZ3 3.85Å; F31-W62 HydrophobicContact CE2-CH2 4.24Å; F31-W62 AromaticContact CE2-CZ3 3.55Å; F31-W62 HydrophobicContact CE2-CZ3 3.55Å; F31-W62 HydrophobicContact CG-CH2 4.38Å; F31-W62 HydrophobicContact CG-CZ3 4.34Å; F31-W62 AromaticContact CZ-CH2 3.83Å; F31-W62 HydrophobicContact CZ-CH2 3.83Å; F31-W62 AromaticContact CZ-CZ3 3.46Å; F31-W62 HydrophobicContact CZ-CZ3 3.46Å; F31-W62 VanDerWaalsContact CZ-CZ3 3.46Å; L39-W62 HydrophobicContact CD1-CE3 4.5Å; L39-W62 HydrophobicContact CD2-CE3 3.92Å; L39-W62 HydrophobicContact CD2-CH2 4.46Å; L39-W62 HydrophobicContact CD2-CZ3 3.58Å; F48-W62 AromaticContact CD1-CE3 3.58Å; F48-W62 HydrophobicContact CD1-CE3 3.58Å; F48-W62 HydrophobicContact CD1-CZ3 4.14Å; F48-W62 HydrophobicContact CD2-CB 3.82Å; F48-W62 AromaticContact CE1-CE3 3.43Å; F48-W62 HydrophobicContact CE1-CE3 3.43Å; F48-W62 VanDerWaalsContact CE1-CE3 3.43Å; F48-W62 AromaticContact CE1-CZ3 3.87Å; F48-W62 HydrophobicContact CE1-CZ3 3.87Å; F48-W62 HydrophobicContact CE2-CB 4.06Å; F48-W62 HydrophobicContact CE2-CE3 4.47Å; F48-W62 HydrophobicContact CG-CB 4.16Å; F48-W62 HydrophobicContact CG-CE3 4.14Å; F48-W62 AromaticContact CZ-CE3 3.92Å; F48-W62 HydrophobicContact CZ-CE3 3.92Å; D58-W62 HydrophobicContact CB-CD2 4.46Å; D58-W62 HydrophobicContact CB-CZ2 4.35Å; D58-W62 WeakPolarHBondContact O-CB 3.32Å; D58-W62 VanDerWaalsContact O-CD1 3.26Å; D58-W62 PolarHBondContact O-N 3.47Å; W62-K64 PolarHBondContact O-N 2.95Å; W62-R65 WeakPolarHBondContact O-CB 3.49Å; W62-R65 PolarHBondContact O-N 2.9Å; W62-R65 VanDerWaalsContact O-N 3.12Å; W62-L68 HydrophobicContact CB-CD2 3.73Å; W62-L68 HydrophobicContact CD2-CD2 4.1Å; W62-L68 HydrophobicContact CE3-CD2 4.39Å; W62-L68 HydrophobicContact CG-CD2 3.82Å
63N98.4Very high97.6Very high46 Ų4679.9 Ų79.925%0.24639%0.391CS..Hα-helixtrans-68.9-19.9172.4-74.3-35.2000113.5L47 F48 A59 R65 L69L47-N63 WeakPolarHBondContact CB-OD1 3.41Å; F48-N63 PolarHBondContact N-OD1 3.23Å; F48-N63 PolarHBondContact O-ND2 3.1Å; A59-N63 VanDerWaalsContact O-CB 3.23Å; A59-N63 WeakPolarHBondContact O-CB 3.39Å; A59-N63 PolarHBondContact O-N 3.27Å; A59-N63 PolarHBondContact O-ND2 3.08Å; N63-R65 VanDerWaalsContact C-N 3.34Å; N63-L69 WeakPolarHBondContact O-CD1 3.41Å
64K97.9Very high97.6Very high144 Ų14473.5 Ų73.563%0.62637%0.368SS*.THydrogen-bonded Turntrans-82.3-14172.3-69.9167.4-174.1166.40112.9D60 Q61 W62 L66D60-K64 WeakPolarHBondContact O-CD 3.37Å; D60-K64 WeakPolarHBondContact O-CG 3.01Å; D60-K64 PolarHBondContact O-N 3.3Å; D60-K64 WeakPolarHBondContact OD1-CE 3.4Å; D60-K64 IonicContact OD1-NZ 3.35Å; D60-K64 PolarHBondContact OD1-NZ 2.97Å; D60-K64 IonicContact OD2-NZ 3.62Å; D60-K64 PolarHBondContact OD2-NZ 3.41Å; Q61-K64 PolarHBondContact O-N 3.46Å; W62-K64 PolarHBondContact O-N 2.95Å; K64-L66 PolarHBondContact O-N 2.77Å
65R98.1Very high97.7Very high103 Ų10369.5 Ų69.539%0.38935%0.348SS..  trans-87.895.1176.1-63.5-130-32.9-107.60.6110.8W62 N63 D67 L68 L69W62-R65 WeakPolarHBondContact O-CB 3.49Å; W62-R65 PolarHBondContact O-N 2.9Å; W62-R65 VanDerWaalsContact O-N 3.12Å; N63-R65 VanDerWaalsContact C-N 3.34Å; R65-D67 VanDerWaalsContact C-N 3.31Å; R65-D67 WeakPolarHBondContact CB-OD1 3.34Å; R65-D67 IonicContact NE-OD1 3.69Å; R65-D67 IonicContact NE-OD2 3.72Å; R65-D67 IonicContact NH2-OD2 3.78Å; R65-D67 PolarHBondContact O-N 3.16Å; R65-L68 HydrophobicContact CB-CB 3.84Å; R65-L68 PolarHBondContact O-N 3.01Å; R65-L69 PolarHBondContact O-N 3.33Å; R65-L69 VanDerWaalsContact O-N 3.08Å
66L96.4Very high97.7Very high117 Ų11770.5 Ų70.561%0.61335%0.354SS*.Hα-helixtrans-61.4-38.4-177.8-64.1179.4000112.9K64 L68 L69 E70K64-L66 PolarHBondContact O-N 2.77Å; L66-L68 VanDerWaalsContact C-N 3.28Å; L66-L68 PolarHBondContact O-N 2.88Å; L66-L69 PolarHBondContact O-N 3.3Å; L66-E70 WeakPolarHBondContact O-CB 3.41Å; L66-E70 WeakPolarHBondContact O-CG 2.98Å; L66-E70 PolarHBondContact O-N 3.45Å
67D97.3Very high97.6Very high94 Ų9469.4 Ų69.450%0.50335%0.352SS..Hα-helixtrans-56.7-42.3175.361.6-54.1000112.2R65 T71R65-D67 VanDerWaalsContact C-N 3.31Å; R65-D67 WeakPolarHBondContact CB-OD1 3.34Å; R65-D67 IonicContact NE-OD1 3.69Å; R65-D67 IonicContact NE-OD2 3.72Å; R65-D67 IonicContact NH2-OD2 3.78Å; R65-D67 PolarHBondContact O-N 3.16Å; D67-T71 WeakPolarHBondContact O-CB 3.41Å; D67-T71 PolarHBondContact O-N 3Å; D67-T71 VanDerWaalsContact O-N 3.1Å; D67-T71 PolarHBondContact O-OG1 3.39Å
68L96.9Very high97.5Very high36 Ų3669 Ų6919%0.18834%0.344CS..Hα-helixtrans-71.5-45.3179.8-177.561.7000111.1F48 W62 R65 L66 T71 S72F48-L68 HydrophobicContact CE2-CD2 3.77Å; F48-L68 HydrophobicContact CE2-CG 3.8Å; F48-L68 HydrophobicContact CZ-CD1 4.32Å; F48-L68 HydrophobicContact CZ-CD2 3.76Å; F48-L68 HydrophobicContact CZ-CG 3.79Å; W62-L68 HydrophobicContact CB-CD2 3.73Å; W62-L68 HydrophobicContact CD2-CD2 4.1Å; W62-L68 HydrophobicContact CE3-CD2 4.39Å; W62-L68 HydrophobicContact CG-CD2 3.82Å; R65-L68 HydrophobicContact CB-CB 3.84Å; R65-L68 PolarHBondContact O-N 3.01Å; L66-L68 VanDerWaalsContact C-N 3.28Å; L66-L68 PolarHBondContact O-N 2.88Å; L68-T71 PolarHBondContact O-N 3.23Å; L68-S72 WeakPolarHBondContact O-CB 3.42Å; L68-S72 PolarHBondContact O-N 3.47Å; L68-S72 PolarHBondContact O-OG 3.41Å
69L96.9Very high97.5Very high9 Ų970 Ų705%0.04735%0.352CS..Hα-helixtrans-61.5-45.3177.7-79178.2000112.1F41 L47 F48 N63 R65 L66 S72 R73F41-L69 HydrophobicContact CE2-CD2 4.18Å; L47-L69 HydrophobicContact CB-CD2 4.37Å; F48-L69 HydrophobicContact CD2-CD2 3.83Å; F48-L69 HydrophobicContact CE2-CD2 3.97Å; N63-L69 WeakPolarHBondContact O-CD1 3.41Å; R65-L69 PolarHBondContact O-N 3.33Å; R65-L69 VanDerWaalsContact O-N 3.08Å; L66-L69 PolarHBondContact O-N 3.3Å; L69-S72 PolarHBondContact O-N 3.46Å; L69-R73 WeakPolarHBondContact O-CB 3.27Å; L69-R73 WeakPolarHBondContact O-CD 3.41Å; L69-R73 WeakPolarHBondContact O-CG 3.42Å; L69-R73 PolarHBondContact O-N 2.9Å
70E97Very high97.5Very high126 Ų12669.6 Ų69.659%0.58935%0.348SS*.Hα-helixtrans-60.6-45.7177-74.6178.8-177.600111.3L66 R73 A74L66-E70 WeakPolarHBondContact O-CB 3.41Å; L66-E70 WeakPolarHBondContact O-CG 2.98Å; L66-E70 PolarHBondContact O-N 3.45Å; E70-R73 PolarHBondContact O-N 2.91Å; E70-A74 VanDerWaalsContact O-CB 3.31Å; E70-A74 WeakPolarHBondContact O-CB 3.33Å; E70-A74 PolarHBondContact O-N 2.97Å
71T97.1Very high97.5Very high85 Ų8568.3 Ų68.352%0.52134%0.336SS..Hα-helixtrans-61.9-46.6177.4-57.50000111.8D67 L68 R73 A74 A75D67-T71 WeakPolarHBondContact O-CB 3.41Å; D67-T71 PolarHBondContact O-N 3Å; D67-T71 VanDerWaalsContact O-N 3.1Å; D67-T71 PolarHBondContact O-OG1 3.39Å; L68-T71 PolarHBondContact O-N 3.23Å; T71-R73 PolarHBondContact O-N 3.48Å; T71-A74 PolarHBondContact O-N 3.38Å; T71-A75 PolarHBondContact O-N 3.01Å; T71-A75 VanDerWaalsContact O-N 3.1Å
72S97.3Very high97.4Very high15 Ų1568.2 Ų68.211%0.10534%0.336CS..Hα-helixtrans-63.6-40.3178.2-62.30000112.7F41 L68 L69 A74 A75F41-S72 WeakPolarHBondContact CE1-O 3.36Å; F41-S72 VanDerWaalsContact CE2-CB 3.48Å; F41-S72 VanDerWaalsContact CZ-CB 3.49Å; L68-S72 WeakPolarHBondContact O-CB 3.42Å; L68-S72 PolarHBondContact O-N 3.47Å; L68-S72 PolarHBondContact O-OG 3.41Å; L69-S72 PolarHBondContact O-N 3.46Å; S72-A74 VanDerWaalsContact C-N 3.35Å; S72-A75 VanDerWaalsContact O-CB 3.29Å; S72-A75 WeakPolarHBondContact O-CB 3.38Å; S72-A75 PolarHBondContact O-N 3.18Å
73R97.8Very high97.4Very high120 Ų12071.1 Ų71.145%0.45335%0.352SS..Hα-helixtrans-64.8-40.7175.2-71.9167.2-174.4164.61.6111.5F41 G46 L69 E70 T71 A75F41-R73 HydrophobicContact CE2-CG 4.34Å; F41-R73 HydrophobicContact CZ-CB 4.48Å; F41-R73 HydrophobicContact CZ-CG 3.81Å; G46-R73 VanDerWaalsContact O-CZ 3.26Å; G46-R73 PolarHBondContact O-NE 3.46Å; G46-R73 PolarHBondContact O-NH2 3.11Å; L69-R73 WeakPolarHBondContact O-CB 3.27Å; L69-R73 WeakPolarHBondContact O-CD 3.41Å; L69-R73 WeakPolarHBondContact O-CG 3.42Å; L69-R73 PolarHBondContact O-N 2.9Å; E70-R73 PolarHBondContact O-N 2.91Å; T71-R73 PolarHBondContact O-N 3.48Å; R73-A75 PolarHBondContact O-N 3.07Å
74A97.8Very high97.4Very high35 Ų3571.5 Ų71.529%0.28935%0.35SS..Hα-helixtrans-70.6-18.5179.500000113.2E70 T71 S72 V76 N77 M78E70-A74 VanDerWaalsContact O-CB 3.31Å; E70-A74 WeakPolarHBondContact O-CB 3.33Å; E70-A74 PolarHBondContact O-N 2.97Å; T71-A74 PolarHBondContact O-N 3.38Å; S72-A74 VanDerWaalsContact C-N 3.35Å; A74-V76 PolarHBondContact O-N 2.97Å; A74-N77 PolarHBondContact O-N 3.42Å; A74-M78 HydrophobicContact CB-CE 3.37Å; A74-M78 HydrophobicContact CB-CG 4.45Å; A74-M78 HydrophobicContact CB-SD 4.09Å; A74-M78 PolarHBondContact O-N 3.02Å
75A97.9Very high97.3Very high8 Ų871.6 Ų71.67%0.06635%0.35CS..Hα-helixtrans-60.5-25179.700000114F27 T71 S72 R73 N77 V79 C80F27-A75 HydrophobicContact CD1-CB 3.59Å; F27-A75 HydrophobicContact CD2-CB 4.5Å; F27-A75 HydrophobicContact CE1-CB 3.29Å; F27-A75 HydrophobicContact CE2-CB 4.26Å; F27-A75 HydrophobicContact CG-CB 4.17Å; F27-A75 HydrophobicContact CZ-CB 3.65Å; T71-A75 PolarHBondContact O-N 3.01Å; T71-A75 VanDerWaalsContact O-N 3.1Å; S72-A75 VanDerWaalsContact O-CB 3.29Å; S72-A75 WeakPolarHBondContact O-CB 3.38Å; S72-A75 PolarHBondContact O-N 3.18Å; R73-A75 PolarHBondContact O-N 3.07Å; A75-N77 PolarHBondContact O-N 3.09Å; A75-V79 HydrophobicContact CB-CB 4.42Å; A75-V79 HydrophobicContact CB-CG2 4.06Å; A75-V79 WeakPolarHBondContact O-CA 3.44Å; A75-V79 VanDerWaalsContact O-CB 3.29Å; A75-V79 WeakPolarHBondContact O-CB 3.3Å; A75-V79 PolarHBondContact O-N 3.21Å; A75-C80 PolarHBondContact O-N 3.5Å
76V98.3Very high97.3Very high21 Ų2171.9 Ų71.913%0.12736%0.359CS..Iπ-helixtrans-53-43.1170.4175.40000111.1V25 F27 A74 C80 R81V25-V76 HydrophobicContact CB-CG1 3.95Å; V25-V76 HydrophobicContact CG1-CG1 3.95Å; F27-V76 HydrophobicContact CB-CG2 3.71Å; A74-V76 PolarHBondContact O-N 2.97Å; V76-C80 WeakPolarHBondContact O-CB 3.31Å; V76-R81 WeakPolarHBondContact O-CG 3.35Å; V76-R81 PolarHBondContact O-N 2.85Å; V76-R81 VanDerWaalsContact O-N 3.11Å
77N97.6Very high97.3Very high100 Ų10067.4 Ų67.454%0.53534%0.341SS..Iπ-helixtrans-90.4-47.6-178.5-66.8-36.6000112.1A74 A75 R81 Q82A74-N77 PolarHBondContact O-N 3.42Å; A75-N77 PolarHBondContact O-N 3.09Å; N77-R81 WeakPolarHBondContact OD1-CD 3.45Å; N77-R81 PolarHBondContact OD1-NE 2.82Å; N77-R81 VanDerWaalsContact OD1-NE 3.09Å; N77-Q82 PolarHBondContact O-N 3.2Å
78M95.5Very high97.3Very high100 Ų10063.3 Ų63.349%0.49332%0.321SS..Iπ-helixtrans-75.5-27.2-172.1-60.2-171.9-53.100113.2A74 Q82A74-M78 HydrophobicContact CB-CE 3.37Å; A74-M78 HydrophobicContact CB-CG 4.45Å; A74-M78 HydrophobicContact CB-SD 4.09Å; A74-M78 PolarHBondContact O-N 3.02Å; M78-Q82 WeakPolarHBondContact O-CB 3.44Å; M78-Q82 PolarHBondContact O-OE1 2.85Å
79V96.5Very high97.4Very high63 Ų6364.7 Ų64.738%0.38233%0.331SS..Iπ-helixtrans-107.4-70.7178-176.30000108.9A75 R81 Q82 E83A75-V79 HydrophobicContact CB-CB 4.42Å; A75-V79 HydrophobicContact CB-CG2 4.06Å; A75-V79 WeakPolarHBondContact O-CA 3.44Å; A75-V79 VanDerWaalsContact O-CB 3.29Å; A75-V79 WeakPolarHBondContact O-CB 3.3Å; A75-V79 PolarHBondContact O-N 3.21Å; V79-R81 PolarHBondContact O-N 3.36Å; V79-Q82 PolarHBondContact O-N 3.19Å; V79-E83 HydrophobicContact CG1-CG 4.39Å; V79-E83 WeakPolarHBondContact O-CB 3.39Å; V79-E83 VanDerWaalsContact O-CG 3.3Å; V79-E83 WeakPolarHBondContact O-CG 3.25Å; V79-E83 PolarHBondContact O-N 2.81Å
80C98.3Very high97.4Very high0 Ų071.7 Ų71.70%036%0.362CS..Iπ-helixtrans-59.6-54.8-167.6-59.30000113.5C16 F18 V25 F27 A75 V76 Q82 Y84C16-C80 HydrophobicContact CB-CB 3.57Å; C16-C80 WeakPolarHBondContact CB-SG 3.33Å; C16-C80 WeakPolarHBondContact SG-CA 3.43Å; C16-C80 WeakPolarHBondContact SG-CB 3.46Å; C16-C80 CovalentContact SG-SG 2.03Å; C16-C80 PolarHBondContact SG-SG 2.84Å; F18-C80 HydrophobicContact CE1-CB 3.98Å; F18-C80 WeakPolarHBondContact CE1-O 3.25Å; F18-C80 HydrophobicContact CZ-CB 3.89Å; F18-C80 VanDerWaalsContact CZ-O 3.29Å; F18-C80 WeakPolarHBondContact CZ-O 3.41Å; V25-C80 HydrophobicContact CG1-CB 3.55Å; F27-C80 WeakPolarHBondContact CD2-SG 3.12Å; A75-C80 PolarHBondContact O-N 3.5Å; V76-C80 WeakPolarHBondContact O-CB 3.31Å; C80-Q82 VanDerWaalsContact C-N 3.34Å; C80-Q82 PolarHBondContact O-N 2.64Å; C80-Y84 VanDerWaalsContact O-CB 3.31Å; C80-Y84 WeakPolarHBondContact O-CB 3.36Å; C80-Y84 PolarHBondContact O-N 2.92Å
81R98.3Very high97.4Very high62 Ų6268 Ų6823%0.23435%0.348CS..Iπ-helixtrans-68-34.7-178.8-69.3174.8-172.7-86.1-11.1112.6T22 E23 V25 V76 N77 V79 K85T22-R81 PolarHBondContact O-NH1 2.84Å; T22-R81 PolarHBondContact O-NH2 3.26Å; T22-R81 VanDerWaalsContact O-NH2 3.08Å; E23-R81 PolarHBondContact O-NH2 3.46Å; V25-R81 HydrophobicContact CG2-CG 4.07Å; V76-R81 WeakPolarHBondContact O-CG 3.35Å; V76-R81 PolarHBondContact O-N 2.85Å; V76-R81 VanDerWaalsContact O-N 3.11Å; N77-R81 WeakPolarHBondContact OD1-CD 3.45Å; N77-R81 PolarHBondContact OD1-NE 2.82Å; N77-R81 VanDerWaalsContact OD1-NE 3.09Å; V79-R81 PolarHBondContact O-N 3.36Å; R81-K85 VanDerWaalsContact O-CG 3.26Å; R81-K85 WeakPolarHBondContact O-CG 3.32Å; R81-K85 PolarHBondContact O-N 2.84Å
82Q96.9Very high97.3Very high103 Ų10367.7 Ų67.748%0.48135%0.346SS..Hα-helixtrans-66.9-50.7178.5-177.8170.8-33.400110.7N77 M78 V79 C80 Y84 K85 L86N77-Q82 PolarHBondContact O-N 3.2Å; M78-Q82 WeakPolarHBondContact O-CB 3.44Å; M78-Q82 PolarHBondContact O-OE1 2.85Å; V79-Q82 PolarHBondContact O-N 3.19Å; C80-Q82 VanDerWaalsContact C-N 3.34Å; C80-Q82 PolarHBondContact O-N 2.64Å; Q82-Y84 PolarHBondContact O-N 2.9Å; Q82-K85 PolarHBondContact O-N 2.83Å; Q82-L86 HydrophobicContact CG-CD1 4.13Å; Q82-L86 WeakPolarHBondContact O-CG 3.29Å; Q82-L86 PolarHBondContact O-N 2.74Å
83E96.9Very high97.3Very high106 Ų10673 Ų7350%0.49537%0.369SS..Hα-helixtrans-64.6-39.6178.9-67.4-53.2135.500112.1V79 K85 L86 G87V79-E83 HydrophobicContact CG1-CG 4.39Å; V79-E83 WeakPolarHBondContact O-CB 3.39Å; V79-E83 VanDerWaalsContact O-CG 3.3Å; V79-E83 WeakPolarHBondContact O-CG 3.25Å; V79-E83 PolarHBondContact O-N 2.81Å; E83-K85 VanDerWaalsContact C-N 3.3Å; E83-K85 PolarHBondContact O-N 3.2Å; E83-L86 PolarHBondContact O-N 2.86Å; E83-G87 PolarHBondContact O-N 2.86Å
84Y97.9Very high97.3Very high55 Ų5571.5 Ų71.522%0.21636%0.363CS..Hα-helixtrans-55.3-48172.8-175.5-75.9000111F18 T22 C80 Q82 L86 G87 A88 V92F18-Y84 HydrophobicContact CB-CD2 4.35Å; F18-Y84 HydrophobicContact CB-CE2 4.23Å; F18-Y84 AromaticContact CD1-CD2 3.52Å; F18-Y84 HydrophobicContact CD1-CD2 3.52Å; F18-Y84 HydrophobicContact CD1-CE2 4.16Å; F18-Y84 HydrophobicContact CD1-CG 4.2Å; F18-Y84 AromaticContact CD2-CD2 3.97Å; F18-Y84 HydrophobicContact CD2-CD2 3.97Å; F18-Y84 AromaticContact CE1-CD2 3.69Å; F18-Y84 HydrophobicContact CE1-CD2 3.69Å; F18-Y84 HydrophobicContact CE1-CG 4.03Å; F18-Y84 HydrophobicContact CE2-CD2 4.11Å; F18-Y84 AromaticContact CG-CD2 3.68Å; F18-Y84 HydrophobicContact CG-CD2 3.68Å; F18-Y84 HydrophobicContact CG-CE2 4.05Å; F18-Y84 AromaticContact CZ-CD2 3.97Å; F18-Y84 HydrophobicContact CZ-CD2 3.97Å; F18-Y84 HydrophobicContact CZ-CG 4.4Å; T22-Y84 HydrophobicContact CG2-CD1 3.41Å; T22-Y84 VanDerWaalsContact CG2-CD1 3.41Å; T22-Y84 HydrophobicContact CG2-CD2 4.14Å; T22-Y84 HydrophobicContact CG2-CE1 3.81Å; T22-Y84 HydrophobicContact CG2-CE2 4.45Å; T22-Y84 HydrophobicContact CG2-CG 3.61Å; C80-Y84 VanDerWaalsContact O-CB 3.31Å; C80-Y84 WeakPolarHBondContact O-CB 3.36Å; C80-Y84 PolarHBondContact O-N 2.92Å; Q82-Y84 PolarHBondContact O-N 2.9Å; Y84-L86 PolarHBondContact O-N 2.86Å; Y84-G87 PolarHBondContact O-N 2.71Å; Y84-A88 HydrophobicContact CD1-CB 4.39Å; Y84-A88 HydrophobicContact CE1-CB 4.23Å; Y84-A88 WeakPolarHBondContact O-CA 3.25Å; Y84-A88 WeakPolarHBondContact O-CB 3.37Å; Y84-A88 PolarHBondContact O-N 2.82Å; Y84-V92 HydrophobicContact CE2-CG2 3.88Å
85K97.1Very high97.3Very high145 Ų14573.6 Ų73.663%0.6337%0.37SS*.Hα-helixtrans-64.7-40.4-178.9-74.1172.4-178.5-177.60112.3R81 Q82 E83R81-K85 VanDerWaalsContact O-CG 3.26Å; R81-K85 WeakPolarHBondContact O-CG 3.32Å; R81-K85 PolarHBondContact O-N 2.84Å; Q82-K85 PolarHBondContact O-N 2.83Å; E83-K85 VanDerWaalsContact C-N 3.3Å; E83-K85 PolarHBondContact O-N 3.2Å
86L97.4Very high97.3Very high109 Ų10974.9 Ų74.957%0.57138%0.376SS*.Hα-helixtrans-70.5-39.5179.2-68.1173.1000111.8Q82 E83 Y84Q82-L86 HydrophobicContact CG-CD1 4.13Å; Q82-L86 WeakPolarHBondContact O-CG 3.29Å; Q82-L86 PolarHBondContact O-N 2.74Å; E83-L86 PolarHBondContact O-N 2.86Å; Y84-L86 PolarHBondContact O-N 2.86Å
87G97.4Very high97.3Very high23 Ų2377.5 Ų77.524%0.23739%0.394CS..Hα-helixtrans-86.3-21.1-176.500000115E83 Y84 P89 F90 T91E83-G87 PolarHBondContact O-N 2.86Å; Y84-G87 PolarHBondContact O-N 2.71Å; G87-P89 VanDerWaalsContact C-CD 3.44Å; G87-F90 PolarHBondContact O-N 3.42Å; G87-T91 PolarHBondContact O-N 3.4Å; G87-T91 PolarHBondContact O-OG1 2.72Å
88A97.5Very high97.4Very high9 Ų973.7 Ų73.77%0.07438%0.375CS..G310 helixtrans-48.8-46-173.100000114.5Y84 F90 T91 V92 E93Y84-A88 HydrophobicContact CD1-CB 4.39Å; Y84-A88 HydrophobicContact CE1-CB 4.23Å; Y84-A88 WeakPolarHBondContact O-CA 3.25Å; Y84-A88 WeakPolarHBondContact O-CB 3.37Å; Y84-A88 PolarHBondContact O-N 2.82Å; A88-F90 PolarHBondContact O-N 2.9Å; A88-F90 VanDerWaalsContact O-N 3.09Å; A88-T91 PolarHBondContact O-N 2.75Å; A88-V92 HydrophobicContact CB-CB 4.47Å; A88-V92 PolarHBondContact O-N 3.21Å; A88-V92 VanDerWaalsContact O-N 3.09Å; A88-E93 PolarHBondContact O-N 2.87Å
89P97.6Very high97.5Very high64 Ų6474.4 Ų74.442%0.41638%0.377SS..G310 helixtrans-59.5-25.8-179.6-25.936.3000114.4G87G87-P89 VanDerWaalsContact C-CD 3.44Å
90F96.4Very high97.6Very high157 Ų15772.4 Ų72.469%0.68937%0.365SS*.G310 helixtrans-111.2-2.5-175.4-49.8-73.3000113.6G87 A88G87-F90 PolarHBondContact O-N 3.42Å; A88-F90 PolarHBondContact O-N 2.9Å; A88-F90 VanDerWaalsContact O-N 3.09Å
91T96.9Very high97.6Very high47 Ų4775 Ų7529%0.28838%0.381SS..THydrogen-bonded Turntrans-124.6-70.2-177.554.60000111.3G87 A88 R94 Y124 W154G87-T91 PolarHBondContact O-N 3.4Å; G87-T91 PolarHBondContact O-OG1 2.72Å; A88-T91 PolarHBondContact O-N 2.75Å; T91-R94 WeakPolarHBondContact O-CB 3.25Å; T91-R94 PolarHBondContact O-N 3.03Å; T91-Y124 WeakPolarHBondContact O-CE1 3.31Å; T91-W154 HydrophobicContact CG2-CH2 3.98Å; T91-W154 HydrophobicContact CG2-CZ3 4.01Å
92V96.4Very high97.6Very high80 Ų8073.2 Ų73.249%0.48538%0.376SS..THydrogen-bonded Turntrans-69.6-43.3-176.8179.80000111.5Y84 A88 R94Y84-V92 HydrophobicContact CE2-CG2 3.88Å; A88-V92 HydrophobicContact CB-CB 4.47Å; A88-V92 PolarHBondContact O-N 3.21Å; A88-V92 VanDerWaalsContact O-N 3.09Å; V92-R94 VanDerWaalsContact C-N 3.29Å
93E96.4Very high97.5Very high126 Ų12673 Ų7359%0.58937%0.372SS*.SBendtrans-86.4-5.7-178.1-62.6174.7-165.200112.4A88 N95A88-E93 PolarHBondContact O-N 2.87Å; E93-N95 PolarHBondContact O-N 2.82Å; E93-N95 PolarHBondContact O-ND2 2.95Å
94R97.6Very high97.5Very high89 Ų8969.2 Ų69.234%0.33636%0.357SS..  trans-64.7124.5178.4179.3-179.1172.778.1-1109.2T91 V92 V96 Y124T91-R94 WeakPolarHBondContact O-CB 3.25Å; T91-R94 PolarHBondContact O-N 3.03Å; V92-R94 VanDerWaalsContact C-N 3.29Å; R94-V96 HydrophobicContact CG-CG2 4.4Å; R94-Y124 HydrophobicContact CB-CD1 4.04Å; R94-Y124 HydrophobicContact CB-CE1 3.96Å; R94-Y124 HydrophobicContact CG-CD1 3.77Å; R94-Y124 HydrophobicContact CG-CE1 4.11Å; R94-Y124 HydrophobicContact CG-CG 4.47Å; R94-Y124 VanDerWaalsContact O-CD1 3.31Å; R94-Y124 WeakPolarHBondContact O-CD1 3.32Å
95N98Very high97.3Very high79 Ų7971.3 Ų71.342%0.42237%0.368SS..  trans-134.4126.2176.2-78.9-68.7000108.8E93 Y124 P125E93-N95 PolarHBondContact O-N 2.82Å; E93-N95 PolarHBondContact O-ND2 2.95Å; N95-Y124 CarbonylContact C-O 3.54Å; N95-Y124 WeakPolarHBondContact CA-O 3.49Å; N95-P125 WeakPolarHBondContact OD1-CD 3.4Å
96V98.4Very high97Very high34 Ų3472.7 Ų72.721%0.20637%0.37CS..BIsolated β-bridgetrans-126.3121.5176.8-1730000107.8R94 D122 F123 Y124 H178 S180R94-V96 HydrophobicContact CG-CG2 4.4Å; V96-D122 WeakPolarHBondContact CG1-O 3.35Å; V96-F123 WeakPolarHBondContact O-CA 3.31Å; V96-Y124 PolarHBondContact N-O 3.23Å; V96-Y124 PolarHBondContact O-N 3.31Å; V96-Y124 VanDerWaalsContact O-N 3.08Å; V96-H178 PolarHBondContact O-CE1 3.07Å; V96-S180 PolarHBondContact O-OG 2.84Å
97P98.4Very high96.5Very high77 Ų7773.3 Ų73.350%0.538%0.378SS..PPolyproline II helixtrans-69.7143.2-178.730-34.5000112.9S180 L181P97-S180 WeakPolarHBondContact CA-OG 3.46Å; P97-L181 HydrophobicContact CB-CD2 3.93Å
98P98.6Very high95.9Very high19 Ų1973.5 Ų73.512%0.12338%0.375CS..PPolyproline II helixtrans-70.6148.5175.526.9-32.8000112.3V100 V120 T121 F123 V176 H178 L181P98-V100 HydrophobicContact CB-CG2 4.28Å; P98-V100 HydrophobicContact CG-CG2 4.37Å; P98-V120 HydrophobicContact CB-CG1 3.47Å; P98-V120 VanDerWaalsContact CB-CG1 3.47Å; P98-V120 HydrophobicContact CG-CG1 4.31Å; P98-T121 VanDerWaalsContact CA-O 3.32Å; P98-T121 WeakPolarHBondContact CA-O 3.5Å; P98-F123 HydrophobicContact CB-CB 3.76Å; P98-F123 HydrophobicContact CB-CD1 4.1Å; P98-F123 HydrophobicContact CB-CG 4.21Å; P98-F123 HydrophobicContact CG-CB 4.42Å; P98-V176 HydrophobicContact CG-CG1 4.09Å; P98-H178 HydrophobicContact CG-CB 4.43Å; P98-L181 HydrophobicContact CG-CD1 3.89Å; P98-L181 HydrophobicContact CG-CG 4.45Å
99E98.4Very high95.3Very high115 Ų11577.4 Ų77.454%0.53740%0.395SS..EExtended strand (participates in β ladder)trans-89.5128.6156.4-174.2170.4174.500108.9V120 T121E99-V120 WeakPolarHBondContact O-CA 3.32Å; E99-T121 PolarHBondContact N-O 3.5Å; E99-T121 PolarHBondContact O-N 2.92Å
100V98.6Very high94.6Very high22 Ų2276.2 Ų76.213%0.13338%0.384CS..EExtended strand (participates in β ladder)trans-118.5121.4-175.6-174.10000109.1P98 V120 V176 V185 V187P98-V100 HydrophobicContact CB-CG2 4.28Å; P98-V100 HydrophobicContact CG-CG2 4.37Å; V100-V120 HydrophobicContact CG1-CG2 4.46Å; V100-V120 HydrophobicContact CG2-CG1 4.32Å; V100-V176 HydrophobicContact CG1-CG2 3.9Å; V100-V176 HydrophobicContact CG2-CB 4.14Å; V100-V176 HydrophobicContact CG2-CG1 4.35Å; V100-V176 HydrophobicContact CG2-CG2 3.8Å; V100-V185 HydrophobicContact CB-CG1 4.49Å; V100-V185 HydrophobicContact CG2-CG1 4.23Å; V100-V187 HydrophobicContact CB-CG2 3.83Å; V100-V187 HydrophobicContact CG1-CB 4.15Å; V100-V187 HydrophobicContact CG1-CG2 3.59Å
101T98.2Very high94Very high55 Ų5576.5 Ų76.534%0.33739%0.388SS..EExtended strand (participates in β ladder)trans-128.2138.9176.956.10000110.3C118 S119T101-C118 CarbonylContact O-C 3.54Å; T101-C118 WeakPolarHBondContact O-CA 3.5Å; T101-S119 PolarHBondContact N-O 2.98Å; T101-S119 PolarHBondContact O-N 2.82Å; T101-S119 PolarHBondContact OG1-O 2.94Å
102V98.2Very high93.7Very high23 Ų2379.5 Ų79.514%0.13940%0.399CS..EExtended strand (participates in β ladder)trans-121125.1177.7177.20000109.8L116 L117 C118 W132 C174 V187 W189V102-L116 HydrophobicContact CG1-CD1 3.9Å; V102-L116 HydrophobicContact CG1-CD2 3.95Å; V102-L116 HydrophobicContact CG1-CG 3.82Å; V102-L117 VanDerWaalsContact CA-O 3.27Å; V102-L117 WeakPolarHBondContact CA-O 3.46Å; V102-C118 HydrophobicContact CG2-CB 4.28Å; V102-W132 HydrophobicContact CG1-CH2 3.72Å; V102-W132 HydrophobicContact CG1-CZ3 4.26Å; V102-W132 HydrophobicContact CG2-CH2 4.21Å; V102-C174 HydrophobicContact CG2-CB 3.65Å; V102-V187 HydrophobicContact CB-CG1 4Å; V102-V187 HydrophobicContact CG2-CB 3.85Å; V102-V187 HydrophobicContact CG2-CG1 3.71Å; V102-W189 HydrophobicContact CB-CB 4.47Å; V102-W189 HydrophobicContact CG1-CB 3.6Å; V102-W189 HydrophobicContact CG1-CG 4.23Å
103Y95.8Very high93.5Very high99 Ų9983.4 Ų83.439%0.38841%0.411SS..EExtended strand (participates in β ladder)trans-153.7150.3-179.559.2-87.1000111.5L117Y103-L117 HydrophobicContact CD2-CB 4.36Å; Y103-L117 HydrophobicContact CE1-CB 4.33Å; Y103-L117 HydrophobicContact CE2-CB 3.99Å; Y103-L117 HydrophobicContact CE2-CD2 3.8Å; Y103-L117 HydrophobicContact CE2-CG 4.33Å; Y103-L117 PolarHBondContact N-O 3.05Å; Y103-L117 PolarHBondContact O-N 3.04Å
104P96.3Very high93.4Very high27 Ų2778.2 Ų78.218%0.17539%0.388CS..EExtended strand (participates in β ladder)trans-78.3150.3175.833.6-34.6000110.7R106 P108 L115 L116 M164 W189P104-R106 VanDerWaalsContact C-N 3.26Å; P104-R106 WeakPolarHBondContact CB-O 3.1Å; P104-R106 PolarHBondContact O-N 2.83Å; P104-P108 HydrophobicContact CG-CG 4.29Å; P104-L115 CarbonylContact C-O 3.49Å; P104-L115 WeakPolarHBondContact CA-O 3.23Å; P104-L116 HydrophobicContact CB-CD1 4.25Å; P104-M164 HydrophobicContact CB-CE 4.37Å; P104-W189 HydrophobicContact CB-CZ2 4.46Å; P104-W189 HydrophobicContact CG-CZ2 4.31Å
105E93.6Very high93.4Very high98 Ų9875.7 Ų75.746%0.45838%0.381SS..SBendtrans-60.4-40.9176.4-170.9-165-134.900111L115 L117E105-L115 HydrophobicContact CB-CB 4Å; E105-L115 PolarHBondContact N-O 3.49Å; E105-L117 HydrophobicContact CB-CD1 3.78Å
106R90.9Very high93.3Very high174 Ų17472 Ų7266%0.65736%0.36SS*.SBendtrans-131164.2-178.4-56.9178.9-158-178.31.3110.5P104 P108 N114P104-R106 VanDerWaalsContact C-N 3.26Å; P104-R106 WeakPolarHBondContact CB-O 3.1Å; P104-R106 PolarHBondContact O-N 2.83Å; R106-P108 WeakPolarHBondContact O-CD 3.15Å; R106-N114 PolarHBondContact N-OD1 3.01Å; R106-N114 PolarHBondContact O-ND2 3.31Å
107T87.2Confident93.3Very high123 Ų12371.6 Ų71.676%0.75536%0.357SS*.  trans-51116.6173.4-53.30000110L109T107-L109 PolarHBondContact O-N 2.87Å
108P84.2Confident93.4Very high27 Ų2767.9 Ų67.918%0.17533%0.333CS..  trans-69.2130.4-174.127.8-37.5000111.4P104 R106 W189 P192P104-P108 HydrophobicContact CG-CG 4.29Å; R106-P108 WeakPolarHBondContact O-CD 3.15Å; P108-W189 HydrophobicContact CB-CH2 4.06Å; P108-W189 HydrophobicContact CB-CZ2 3.91Å; P108-W189 HydrophobicContact CG-CZ2 3.95Å; P108-P192 HydrophobicContact CB-CG 3.65Å; P108-P192 HydrophobicContact CG-CG 3.25Å
109L84.2Confident93.3Very high91 Ų9167.7 Ų67.748%0.47633%0.332SS..  trans-120.6134.3170.9-65.5175.3000108.2T107 Q112 P166T107-L109 PolarHBondContact O-N 2.87Å; L109-Q112 HydrophobicContact CB-CB 4.18Å; L109-Q112 HydrophobicContact CB-CG 4.06Å; L109-Q112 VanDerWaalsContact CD1-OE1 3.28Å; L109-Q112 PolarHBondContact O-N 2.79Å; L109-P166 WeakPolarHBondContact O-CG 3.3Å
110L83.3Confident93.4Very high38 Ų3862.2 Ų62.220%0.19931%0.307CS..THydrogen-bonded Turntrans-58142.7178.7-67.4178.4000110.2Q112 L168 A191 E194L110-Q112 PolarHBondContact O-N 2.02Å; L110-Q112 VanDerWaalsContact O-N 3.09Å; L110-L168 HydrophobicContact CD1-CB 4.41Å; L110-A191 HydrophobicContact CD2-CB 4.48Å; L110-E194 HydrophobicContact CD1-CG 3.76Å
111Q84.8Confident93.4Very high164 Ų16462.4 Ų62.477%0.76631%0.308SS*.THydrogen-bonded Turntrans61.414.9177.4-57.5164.2-2.800114.7P166Q111-P166 PolarHBondContact N-O 3.09Å; Q111-P166 VanDerWaalsContact N-O 3.11Å
112Q89.3Confident93.4Very high110 Ų11063.3 Ų63.351%0.51431%0.311SS..SBendtrans-112.9143.4172.5-62.9-169.29.900111.2L109 L110 N114 P166L109-Q112 HydrophobicContact CB-CB 4.18Å; L109-Q112 HydrophobicContact CB-CG 4.06Å; L109-Q112 VanDerWaalsContact CD1-OE1 3.28Å; L109-Q112 PolarHBondContact O-N 2.79Å; L110-Q112 PolarHBondContact O-N 2.02Å; L110-Q112 VanDerWaalsContact O-N 3.09Å; Q112-N114 PolarHBondContact O-N 2.94Å; Q112-P166 WeakPolarHBondContact O-CD 3.43Å
113H93.8Very high93.4Very high162 Ų16262.2 Ų62.275%0.7530%0.304SS*.  trans-60.3135.1175.9-72.4-81.8000111.6I165H113-I165 WeakPolarHBondContact CE1-CD1 3.45Å; H113-I165 WeakPolarHBondContact ND1-CG1 3.39Å
114N94.3Very high93.5Very high17 Ų1759.3 Ų59.39%0.09129%0.293CS..EExtended strand (participates in β ladder)trans-148.4170.1173.6-155-14.7000109.9R106 Q112 M164R106-N114 PolarHBondContact N-OD1 3.01Å; R106-N114 PolarHBondContact O-ND2 3.31Å; Q112-N114 PolarHBondContact O-N 2.94Å; N114-M164 HydrophobicContact CB-CE 4.18Å; N114-M164 PolarHBondContact N-O 2.87Å; N114-M164 PolarHBondContact O-N 3.38Å; N114-M164 VanDerWaalsContact O-O 3.1Å
115L96.5Very high93.6Very high36 Ų3659.8 Ų59.819%0.18830%0.296CS..EExtended strand (participates in β ladder)trans-113.5132.3171.5-73.2168.9000108.8P104 E105 L117 M144 L162 E163P104-L115 CarbonylContact C-O 3.49Å; P104-L115 WeakPolarHBondContact CA-O 3.23Å; E105-L115 HydrophobicContact CB-CB 4Å; E105-L115 PolarHBondContact N-O 3.49Å; L115-L117 HydrophobicContact CB-CD1 4.23Å; L115-M144 HydrophobicContact CD2-CE 4.06Å; L115-L162 WeakPolarHBondContact CA-O 3.43Å; L115-E163 HydrophobicContact CD2-CB 4.34Å; L115-E163 HydrophobicContact CD2-CG 3.58Å
116L97.3Very high93.8Very high0 Ų055.9 Ų55.90%028%0.282CS..EExtended strand (participates in β ladder)trans-101.7125.9170.3-16465.4000109.1V102 P104 W132 M161 L162 M164 Y172 W189V102-L116 HydrophobicContact CG1-CD1 3.9Å; V102-L116 HydrophobicContact CG1-CD2 3.95Å; V102-L116 HydrophobicContact CG1-CG 3.82Å; P104-L116 HydrophobicContact CB-CD1 4.25Å; L116-W132 HydrophobicContact CB-CH2 4.21Å; L116-W132 HydrophobicContact CB-CZ2 4.4Å; L116-W132 HydrophobicContact CD2-CE3 4.45Å; L116-W132 HydrophobicContact CD2-CH2 3.46Å; L116-W132 VanDerWaalsContact CD2-CH2 3.46Å; L116-W132 HydrophobicContact CD2-CZ2 4.38Å; L116-W132 HydrophobicContact CD2-CZ3 3.5Å; L116-W132 HydrophobicContact CG-CH2 3.6Å; L116-W132 HydrophobicContact CG-CZ2 4.23Å; L116-W132 HydrophobicContact CG-CZ3 4.19Å; L116-M161 CarbonylContact O-C 3.53Å; L116-M161 VanDerWaalsContact O-CA 3.27Å; L116-M161 WeakPolarHBondContact O-CA 3.08Å; L116-L162 PolarHBondContact N-O 2.88Å; L116-L162 PolarHBondContact O-N 3.32Å; L116-M164 HydrophobicContact CB-CE 3.81Å; L116-M164 HydrophobicContact CB-CG 4.45Å; L116-M164 HydrophobicContact CB-SD 3.85Å; L116-M164 HydrophobicContact CD1-CE 3.87Å; L116-M164 HydrophobicContact CD2-SD 4.22Å; L116-M164 HydrophobicContact CG-CE 4.29Å; L116-M164 HydrophobicContact CG-SD 4.43Å; L116-Y172 VanDerWaalsContact CD2-CB 3.45Å; L116-Y172 HydrophobicContact CD2-CD1 4.38Å; L116-Y172 HydrophobicContact CD2-CG 3.89Å; L116-W189 HydrophobicContact CD1-CB 4.34Å; L116-W189 HydrophobicContact CD1-CD2 3.67Å; L116-W189 HydrophobicContact CD1-CE3 4.01Å; L116-W189 HydrophobicContact CD1-CG 3.81Å; L116-W189 HydrophobicContact CD2-CB 4.22Å; L116-W189 HydrophobicContact CD2-CD2 4.29Å; L116-W189 HydrophobicContact CD2-CE3 4.03Å; L116-W189 HydrophobicContact CD2-CG 4.39Å
117L98.4Very high94.1Very high26 Ų2653.5 Ų53.514%0.13628%0.282CS..EExtended strand (participates in β ladder)trans-104128.5-177-71.175.6000108.9V102 Y103 E105 L115 T159 M161V102-L117 VanDerWaalsContact CA-O 3.27Å; V102-L117 WeakPolarHBondContact CA-O 3.46Å; Y103-L117 HydrophobicContact CD2-CB 4.36Å; Y103-L117 HydrophobicContact CE1-CB 4.33Å; Y103-L117 HydrophobicContact CE2-CB 3.99Å; Y103-L117 HydrophobicContact CE2-CD2 3.8Å; Y103-L117 HydrophobicContact CE2-CG 4.33Å; Y103-L117 PolarHBondContact N-O 3.05Å; Y103-L117 PolarHBondContact O-N 3.04Å; E105-L117 HydrophobicContact CB-CD1 3.78Å; L115-L117 HydrophobicContact CB-CD1 4.23Å; L117-T159 HydrophobicContact CB-CG2 4.15Å; L117-T159 HydrophobicContact CD2-CG2 4.15Å; L117-T159 HydrophobicContact CG-CG2 4.29Å; L117-M161 HydrophobicContact CG-CG 3.99Å
118C98.6Very high94.7Very high0 Ų049.4 Ų49.40%026%0.255CS..EExtended strand (participates in β ladder)trans-103.9100.8162.9-176.50000107.9T101 V102 W132 T159 V160 C174T101-C118 CarbonylContact O-C 3.54Å; T101-C118 WeakPolarHBondContact O-CA 3.5Å; V102-C118 HydrophobicContact CG2-CB 4.28Å; C118-W132 HydrophobicContact CB-CH2 3.93Å; C118-W132 HydrophobicContact CB-CZ2 3.47Å; C118-W132 VanDerWaalsContact CB-CZ2 3.47Å; C118-T159 WeakPolarHBondContact O-CA 3.45Å; C118-V160 PolarHBondContact N-O 3.05Å; C118-V160 PolarHBondContact O-N 3.12Å; C118-C174 HydrophobicContact CB-CB 3.57Å; C118-C174 WeakPolarHBondContact CB-SG 3.42Å; C118-C174 WeakPolarHBondContact SG-CB 3.29Å; C118-C174 CovalentContact SG-SG 2.02Å; C118-C174 PolarHBondContact SG-SG 3.16Å
119S98.5Very high95.3Very high15 Ų1550.3 Ų50.311%0.10526%0.262CS..EExtended strand (participates in β ladder)trans-89.1122175.9-172.70000109.3T101T101-S119 PolarHBondContact N-O 2.98Å; T101-S119 PolarHBondContact O-N 2.82Å; T101-S119 PolarHBondContact OG1-O 2.94Å
120V98.8Very high96Very high0 Ų047.3 Ų47.30%025%0.248CC..EExtended strand (participates in β ladder)trans-120.2110.6-178.3-1710000107.8P98 E99 V100 F123 I128 V130 Q157 T158 V176P98-V120 HydrophobicContact CB-CG1 3.47Å; P98-V120 VanDerWaalsContact CB-CG1 3.47Å; P98-V120 HydrophobicContact CG-CG1 4.31Å; E99-V120 WeakPolarHBondContact O-CA 3.32Å; V100-V120 HydrophobicContact CG1-CG2 4.46Å; V100-V120 HydrophobicContact CG2-CG1 4.32Å; V120-F123 HydrophobicContact CB-CE1 4.36Å; V120-F123 HydrophobicContact CG1-CD1 3.91Å; V120-F123 HydrophobicContact CG1-CE1 3.9Å; V120-F123 WeakPolarHBondContact O-CE1 3.39Å; V120-I128 HydrophobicContact CG1-CD1 3.6Å; V120-V130 HydrophobicContact CG2-CG1 4.43Å; V120-V130 HydrophobicContact CG2-CG2 4.12Å; V120-Q157 CarbonylContact O-C 3.59Å; V120-Q157 VanDerWaalsContact O-CA 3.25Å; V120-Q157 WeakPolarHBondContact O-CA 3.41Å; V120-T158 HydrophobicContact CB-CG2 4.16Å; V120-T158 PolarHBondContact N-O 3.23Å; V120-T158 PolarHBondContact O-N 3.48Å; V120-V176 HydrophobicContact CG1-CG1 4.17Å; V120-V176 HydrophobicContact CG2-CG2 3.91Å
121T98.6Very high96.7Very high25 Ų2548.7 Ų48.715%0.15325%0.25CC..EExtended strand (participates in β ladder)trans-125.3164.5-169.357.70000112.7P98 E99 F123 Q157P98-T121 VanDerWaalsContact CA-O 3.32Å; P98-T121 WeakPolarHBondContact CA-O 3.5Å; E99-T121 PolarHBondContact N-O 3.5Å; E99-T121 PolarHBondContact O-N 2.92Å; T121-F123 VanDerWaalsContact C-N 3.3Å; T121-F123 PolarHBondContact O-N 2.86Å; T121-Q157 HydrophobicContact CG2-CB 4.07Å
122D98.1Very high97.4Very high74 Ų7441 Ų4140%0.39621%0.214SC..EExtended strand (participates in β ladder)trans58.830.8167.8-53.7-40.5000115.8V96 F156V96-D122 WeakPolarHBondContact CG1-O 3.35Å; D122-F156 PolarHBondContact N-O 3.01Å; D122-F156 VanDerWaalsContact N-O 3.13Å
123F98.6Very high97.8Very high0 Ų037.5 Ų37.50%020%0.197CC..EExtended strand (participates in β ladder)trans-105.1158.8-178.866-89.2000114.1V96 P98 V120 T121 P125 I128 L148 T155 F156 T158 H178V96-F123 WeakPolarHBondContact O-CA 3.31Å; P98-F123 HydrophobicContact CB-CB 3.76Å; P98-F123 HydrophobicContact CB-CD1 4.1Å; P98-F123 HydrophobicContact CB-CG 4.21Å; P98-F123 HydrophobicContact CG-CB 4.42Å; V120-F123 HydrophobicContact CB-CE1 4.36Å; V120-F123 HydrophobicContact CG1-CD1 3.91Å; V120-F123 HydrophobicContact CG1-CE1 3.9Å; V120-F123 WeakPolarHBondContact O-CE1 3.39Å; T121-F123 VanDerWaalsContact C-N 3.3Å; T121-F123 PolarHBondContact O-N 2.86Å; F123-P125 VanDerWaalsContact CD2-O 3.29Å; F123-P125 WeakPolarHBondContact CD2-O 3.45Å; F123-I128 HydrophobicContact CD1-CD1 4.07Å; F123-I128 HydrophobicContact CD2-CD1 3.89Å; F123-I128 HydrophobicContact CE1-CD1 3.85Å; F123-I128 HydrophobicContact CE2-CB 3.87Å; F123-I128 HydrophobicContact CE2-CD1 3.68Å; F123-I128 HydrophobicContact CE2-CG1 4.38Å; F123-I128 HydrophobicContact CE2-CG2 3.83Å; F123-I128 HydrophobicContact CG-CD1 4.09Å; F123-I128 HydrophobicContact CZ-CB 4.25Å; F123-I128 HydrophobicContact CZ-CD1 3.66Å; F123-I128 HydrophobicContact CZ-CG2 3.8Å; F123-L148 HydrophobicContact CE2-CD1 3.95Å; F123-L148 HydrophobicContact CZ-CD1 3.69Å; F123-T155 CarbonylContact O-C 3.47Å; F123-T155 WeakPolarHBondContact O-CA 3.43Å; F123-F156 VanDerWaalsContact CD1-O 3.31Å; F123-F156 WeakPolarHBondContact CD1-O 3.47Å; F123-F156 HydrophobicContact CD2-CB 4.19Å; F123-F156 HydrophobicContact CE1-CB 4.28Å; F123-F156 WeakPolarHBondContact CE1-O 3.42Å; F123-F156 HydrophobicContact CE2-CB 3.76Å; F123-F156 HydrophobicContact CZ-CB 3.81Å; F123-F156 PolarHBondContact N-O 2.63Å; F123-F156 PolarHBondContact O-N 2.76Å; F123-T158 HydrophobicContact CE1-CG2 4.37Å; F123-T158 HydrophobicContact CZ-CG2 4.28Å; F123-H178 AromaticContact CD2-CD2 3.82Å; F123-H178 AromaticContact CD2-NE2 3.61Å
124Y98.6Very high98Very high38 Ų3833 Ų3315%0.14917%0.173CC..BIsolated β-bridgetrans-156.2138.9172.7-173.5-80.6000109.8T91 R94 N95 V96 W154 F156 H178T91-Y124 WeakPolarHBondContact O-CE1 3.31Å; R94-Y124 HydrophobicContact CB-CD1 4.04Å; R94-Y124 HydrophobicContact CB-CE1 3.96Å; R94-Y124 HydrophobicContact CG-CD1 3.77Å; R94-Y124 HydrophobicContact CG-CE1 4.11Å; R94-Y124 HydrophobicContact CG-CG 4.47Å; R94-Y124 VanDerWaalsContact O-CD1 3.31Å; R94-Y124 WeakPolarHBondContact O-CD1 3.32Å; N95-Y124 CarbonylContact C-O 3.54Å; N95-Y124 WeakPolarHBondContact CA-O 3.49Å; V96-Y124 PolarHBondContact N-O 3.23Å; V96-Y124 PolarHBondContact O-N 3.31Å; V96-Y124 VanDerWaalsContact O-N 3.08Å; Y124-W154 WeakPolarHBondContact CD2-O 3.42Å; Y124-W154 HydrophobicContact CE2-CE3 4.01Å; Y124-F156 HydrophobicContact CD2-CD2 4Å; Y124-F156 AromaticContact CD2-CE2 3.56Å; Y124-F156 HydrophobicContact CD2-CE2 3.56Å; Y124-F156 AromaticContact CE2-CE2 3.82Å; Y124-F156 HydrophobicContact CE2-CE2 3.82Å; Y124-H178 VanDerWaalsContact C-CE1 3.46Å; Y124-H178 PolarHBondContact O-CE1 2.87Å
125P98.4Very high98Very high38 Ų3836.5 Ų36.525%0.24719%0.192CC..SBendcis-72.9-179.44.332.4-37.9000113.3N95 F123 D127 H178 P179N95-P125 WeakPolarHBondContact OD1-CD 3.4Å; F123-P125 VanDerWaalsContact CD2-O 3.29Å; F123-P125 WeakPolarHBondContact CD2-O 3.45Å; P125-D127 VanDerWaalsContact C-N 3.26Å; P125-D127 PolarHBondContact O-N 3.38Å; P125-H178 PolarHBondContact O-NE2 2.89Å; P125-P179 HydrophobicContact CG-CG 4.32Å
126G97.9Very high97.9Very high15 Ų1538 Ų3816%0.15522%0.216CC..SBendtrans-75.3-11.6-178.200000115I128 L148 F156G126-I128 PolarHBondContact O-N 2.86Å; G126-L148 WeakPolarHBondContact O-CD1 3.37Å; G126-F156 VanDerWaalsContact CA-CD2 3.48Å; G126-F156 VanDerWaalsContact N-CE2 3.34Å
127D97.4Very high97.9Very high125 Ų12545.4 Ų45.467%0.66825%0.251SS*.  trans-75.8115.5179.8-171.746.7000110.3P125 H178 P179P125-D127 VanDerWaalsContact C-N 3.26Å; P125-D127 PolarHBondContact O-N 3.38Å; D127-H178 PolarHBondContact O-CD2 2.92Å; D127-H178 VanDerWaalsContact O-CD2 3.23Å; D127-P179 WeakPolarHBondContact O-CD 3.03Å
128I98.4Very high97.9Very high37 Ų3747.4 Ų47.419%0.1926%0.26CS..  trans-150147.5-171.9-165164.5000110.8V120 F123 G126 V130 T158 V176 E177 H178V120-I128 HydrophobicContact CG1-CD1 3.6Å; F123-I128 HydrophobicContact CD1-CD1 4.07Å; F123-I128 HydrophobicContact CD2-CD1 3.89Å; F123-I128 HydrophobicContact CE1-CD1 3.85Å; F123-I128 HydrophobicContact CE2-CB 3.87Å; F123-I128 HydrophobicContact CE2-CD1 3.68Å; F123-I128 HydrophobicContact CE2-CG1 4.38Å; F123-I128 HydrophobicContact CE2-CG2 3.83Å; F123-I128 HydrophobicContact CG-CD1 4.09Å; F123-I128 HydrophobicContact CZ-CB 4.25Å; F123-I128 HydrophobicContact CZ-CD1 3.66Å; F123-I128 HydrophobicContact CZ-CG2 3.8Å; G126-I128 PolarHBondContact O-N 2.86Å; I128-V130 HydrophobicContact CD1-CG2 4.34Å; I128-V130 HydrophobicContact CG1-CG2 4.15Å; I128-T158 HydrophobicContact CG2-CG2 4.37Å; I128-V176 HydrophobicContact CD1-CG1 3.83Å; I128-V176 HydrophobicContact CG1-CG1 4.13Å; I128-E177 WeakPolarHBondContact CG1-O 3.45Å; I128-H178 HydrophobicContact CD1-CB 4.36Å; I128-H178 HydrophobicContact CG1-CB 4.19Å
129S98.3Very high97.8Very high45 Ų4550.2 Ų50.232%0.31527%0.273SS..EExtended strand (participates in β ladder)trans-121.1123.9173.8167.10000109.5V176 E177S129-V176 WeakPolarHBondContact O-CA 3.17Å; S129-E177 PolarHBondContact N-O 2.95Å; S129-E177 PolarHBondContact O-N 3.41Å
130V98.6Very high97.7Very high29 Ų2958.4 Ų58.418%0.17630%0.301CS..EExtended strand (participates in β ladder)trans-127.5123.1-178.1-176.90000108.3V120 I128 T158 V160 C174 L175 V176V120-V130 HydrophobicContact CG2-CG1 4.43Å; V120-V130 HydrophobicContact CG2-CG2 4.12Å; I128-V130 HydrophobicContact CD1-CG2 4.34Å; I128-V130 HydrophobicContact CG1-CG2 4.15Å; V130-T158 HydrophobicContact CG2-CG2 4.31Å; V130-V160 HydrophobicContact CB-CG2 3.75Å; V130-V160 HydrophobicContact CG1-CB 3.84Å; V130-V160 HydrophobicContact CG1-CG1 4.46Å; V130-V160 HydrophobicContact CG1-CG2 3.58Å; V130-V160 HydrophobicContact CG2-CG2 4.4Å; V130-C174 VanDerWaalsContact CG1-SG 3.55Å; V130-L175 WeakPolarHBondContact CA-O 3.31Å; V130-V176 HydrophobicContact CG1-CG2 4.28Å; V130-V176 HydrophobicContact CG2-CG1 4.46Å; V130-V176 HydrophobicContact CG2-CG2 4.28Å
131R98.5Very high97.6Very high66 Ų6663 Ų6325%0.24933%0.333CS..EExtended strand (participates in β ladder)trans-131.4144.8-175.1-66.1-174.7-72.1143.4-6.8111.3F133 E138 L175 E177R131-F133 HydrophobicContact CB-CE2 3.97Å; R131-E138 IonicContact CZ-OE2 2.76Å; R131-E138 IonicContact NH1-OE2 3.79Å; R131-E138 PolarHBondContact NH1-OE2 2.81Å; R131-L175 PolarHBondContact N-O 2.61Å; R131-L175 VanDerWaalsContact NH2-CD2 3.25Å; R131-L175 PolarHBondContact O-N 2.8Å; R131-E177 IonicContact CZ-OE1 2.64Å; R131-E177 IonicContact NH2-OE1 2.84Å; R131-E177 PolarHBondContact NH2-OE1 3.4Å
132W98.6Very high97.5Very high2 Ų262.9 Ų62.91%0.00834%0.337CS..EExtended strand (participates in β ladder)trans-96.5145.3173.5-82.3110.5000111.4V102 L116 C118 E138 E139 V143 V160 L162 S173 C174V102-W132 HydrophobicContact CG1-CH2 3.72Å; V102-W132 HydrophobicContact CG1-CZ3 4.26Å; V102-W132 HydrophobicContact CG2-CH2 4.21Å; L116-W132 HydrophobicContact CB-CH2 4.21Å; L116-W132 HydrophobicContact CB-CZ2 4.4Å; L116-W132 HydrophobicContact CD2-CE3 4.45Å; L116-W132 HydrophobicContact CD2-CH2 3.46Å; L116-W132 VanDerWaalsContact CD2-CH2 3.46Å; L116-W132 HydrophobicContact CD2-CZ2 4.38Å; L116-W132 HydrophobicContact CD2-CZ3 3.5Å; L116-W132 HydrophobicContact CG-CH2 3.6Å; L116-W132 HydrophobicContact CG-CZ2 4.23Å; L116-W132 HydrophobicContact CG-CZ3 4.19Å; C118-W132 HydrophobicContact CB-CH2 3.93Å; C118-W132 HydrophobicContact CB-CZ2 3.47Å; C118-W132 VanDerWaalsContact CB-CZ2 3.47Å; W132-E138 WeakPolarHBondContact O-CA 3.47Å; W132-E139 HydrophobicContact CB-CB 4.36Å; W132-E139 PolarHBondContact O-N 3.16Å; W132-V143 HydrophobicContact CB-CG2 4.32Å; W132-V143 HydrophobicContact CG-CG2 4.49Å; W132-V160 PolarHBondContact NE1-O 3.26Å; W132-L162 HydrophobicContact CB-CD2 4.24Å; W132-L162 HydrophobicContact CD2-CB 3.98Å; W132-L162 HydrophobicContact CD2-CD2 4.08Å; W132-L162 HydrophobicContact CE3-CD2 4.22Å; W132-L162 HydrophobicContact CG-CB 3.97Å; W132-L162 HydrophobicContact CG-CD2 4.11Å; W132-L162 HydrophobicContact CG-CG 4.5Å; W132-L162 HydrophobicContact CZ2-CB 4.39Å; W132-S173 CarbonylContact C-O 3.56Å; W132-C174 HydrophobicContact CE3-CB 4.2Å; W132-C174 HydrophobicContact CH2-CB 3.98Å; W132-C174 HydrophobicContact CZ2-CB 4.41Å; W132-C174 HydrophobicContact CZ3-CB 3.87Å
133F98.3Very high97.5Very high38 Ų3861.9 Ų61.917%0.16733%0.334CS..EExtended strand (participates in β ladder)trans-131.7140.4171.2-71.2-104.2000109.4R131 Q137 E138 Y172 S173 L175R131-F133 HydrophobicContact CB-CE2 3.97Å; F133-Q137 CarbonylContact C-O 3.46Å; F133-Q137 WeakPolarHBondContact CA-O 3.38Å; F133-E138 HydrophobicContact CD1-CB 4.09Å; F133-E138 HydrophobicContact CE1-CB 3.74Å; F133-E138 HydrophobicContact CE1-CG 4.31Å; F133-E138 HydrophobicContact CE2-CG 4.34Å; F133-E138 HydrophobicContact CZ-CB 4.04Å; F133-E138 HydrophobicContact CZ-CG 4.1Å; F133-Y172 CarbonylContact O-C 3.59Å; F133-Y172 VanDerWaalsContact O-CA 3.31Å; F133-Y172 WeakPolarHBondContact O-CA 3.15Å; F133-S173 PolarHBondContact N-O 2.73Å; F133-S173 PolarHBondContact O-N 3.27Å; F133-L175 HydrophobicContact CD2-CB 4.05Å; F133-L175 HydrophobicContact CE2-CB 3.79Å; F133-L175 HydrophobicContact CE2-CD2 3.64Å; F133-L175 HydrophobicContact CE2-CG 4.38Å; F133-L175 HydrophobicContact CZ-CD2 4.05Å
134R96.8Very high97.4Very high66 Ų6665.8 Ų65.825%0.24935%0.353CS..EExtended strand (participates in β ladder)trans-119.6123.7168.3-176-178.8179-174.41.3108.2G136 Q137 E167 D170 Y172R134-G136 PolarHBondContact O-N 3.33Å; R134-G136 VanDerWaalsContact O-N 3.07Å; R134-Q137 PolarHBondContact N-O 3.02Å; R134-Q137 PolarHBondContact O-N 3.16Å; R134-E167 IonicContact NH2-OE1 3.14Å; R134-E167 PolarHBondContact NH2-OE1 2.92Å; R134-E167 VanDerWaalsContact NH2-OE1 3.14Å; R134-D170 IonicContact CZ-OD1 3.63Å; R134-D170 IonicContact CZ-OD2 3.36Å; R134-D170 IonicContact NE-OD1 3.13Å; R134-D170 PolarHBondContact NE-OD1 3.42Å; R134-D170 VanDerWaalsContact NE-OD1 3.13Å; R134-D170 IonicContact NE-OD2 3.3Å; R134-D170 PolarHBondContact NE-OD2 3.29Å; R134-D170 IonicContact NH2-OD1 3.26Å; R134-D170 PolarHBondContact NH2-OD1 3.39Å; R134-D170 IonicContact NH2-OD2 2.74Å; R134-D170 PolarHBondContact NH2-OD2 2.97Å; R134-Y172 HydrophobicContact CB-CD1 4.23Å; R134-Y172 HydrophobicContact CB-CE1 4.22Å; R134-Y172 HydrophobicContact CG-CD1 4.17Å; R134-Y172 HydrophobicContact CG-CE1 3.81Å; R134-Y172 PolarHBondContact NE-OH 3.08Å
135N95.4Very high97.4Very high91 Ų9167.3 Ų67.349%0.48737%0.369SS..THydrogen-bonded Turntrans51.335.7179.3-57-32.7000113.3Q137 D170 V171N135-Q137 VanDerWaalsContact C-N 3.34Å; N135-Q137 PolarHBondContact O-N 3.08Å; N135-D170 PolarHBondContact ND2-OD1 2.78Å; N135-V171 PolarHBondContact N-O 3.34Å; N135-V171 PolarHBondContact OD1-N 2.9Å
136G94.4Very high97.2Very high67 Ų6769.2 Ų69.269%0.69138%0.38SS*.THydrogen-bonded Turntrans83.3-2.7179.900000115.9R134R134-G136 PolarHBondContact O-N 3.33Å; R134-G136 VanDerWaalsContact O-N 3.07Å
137Q97.2Very high97.2Very high157 Ų15770.1 Ų70.173%0.73439%0.389SS*.EExtended strand (participates in β ladder)trans-100.5138.5173.7-64.6-171.1-11.500110.7F133 R134 N135 E139F133-Q137 CarbonylContact C-O 3.46Å; F133-Q137 WeakPolarHBondContact CA-O 3.38Å; R134-Q137 PolarHBondContact N-O 3.02Å; R134-Q137 PolarHBondContact O-N 3.16Å; N135-Q137 VanDerWaalsContact C-N 3.34Å; N135-Q137 PolarHBondContact O-N 3.08Å; Q137-E139 PolarHBondContact O-N 3.32Å
138E97.9Very high97.2Very high68 Ų6868.3 Ų68.332%0.31838%0.379SS..EExtended strand (participates in β ladder)trans-67.6125.3-180-168.5176.4138.200110.4R131 W132 F133 R140R131-E138 IonicContact CZ-OE2 2.76Å; R131-E138 IonicContact NH1-OE2 3.79Å; R131-E138 PolarHBondContact NH1-OE2 2.81Å; W132-E138 WeakPolarHBondContact O-CA 3.47Å; F133-E138 HydrophobicContact CD1-CB 4.09Å; F133-E138 HydrophobicContact CE1-CB 3.74Å; F133-E138 HydrophobicContact CE1-CG 4.31Å; F133-E138 HydrophobicContact CE2-CG 4.34Å; F133-E138 HydrophobicContact CZ-CB 4.04Å; F133-E138 HydrophobicContact CZ-CG 4.1Å; E138-R140 IonicContact OE1-CZ 3.91Å; E138-R140 IonicContact OE1-NE 3.03Å; E138-R140 PolarHBondContact OE1-NE 3.13Å; E138-R140 IonicContact OE1-NH2 2.81Å; E138-R140 PolarHBondContact OE1-NH2 3.2Å
139E97.1Very high97.2Very high59 Ų5969.5 Ų69.528%0.27639%0.388SS..EExtended strand (participates in β ladder)trans-102.6128.9179.5-173.857.6-95.500109.7W132 Q137 S141 L162W132-E139 HydrophobicContact CB-CB 4.36Å; W132-E139 PolarHBondContact O-N 3.16Å; Q137-E139 PolarHBondContact O-N 3.32Å; E139-S141 WeakPolarHBondContact OE1-CB 3.28Å; E139-S141 PolarHBondContact OE1-N 2.96Å; E139-L162 HydrophobicContact CG-CD1 3.63Å; E139-L162 HydrophobicContact CG-CD2 4.39Å
140R96.9Very high97.2Very high187 Ų18776 Ų7671%0.70641%0.405SS*.  trans-125.3-22-178.7-67.1-179173.2-113.61.2112E138E138-R140 IonicContact OE1-CZ 3.91Å; E138-R140 IonicContact OE1-NE 3.03Å; E138-R140 PolarHBondContact OE1-NE 3.13Å; E138-R140 IonicContact OE1-NH2 2.81Å; E138-R140 PolarHBondContact OE1-NH2 3.2Å
141S96.5Very high97.1Very high96 Ų9677.1 Ų77.167%0.67141%0.411SS*.THydrogen-bonded Turntrans-74.5136.3177.6-1720000109.6E139 V143E139-S141 WeakPolarHBondContact OE1-CB 3.28Å; E139-S141 PolarHBondContact OE1-N 2.96Å; S141-V143 PolarHBondContact O-N 2.86Å
142G95.2Very high97Very high23 Ų2377.3 Ų77.324%0.23743%0.433CS..THydrogen-bonded Turntrans69.713.4179.600000114.8E163G142-E163 PolarHBondContact O-N 2.71Å
143V98.1Very high97Very high53 Ų5381.5 Ų81.532%0.32146%0.456SS..EExtended strand (participates in β ladder)trans-85.5130175.4178.20000110.4W132 S141 V160 M161 L162W132-V143 HydrophobicContact CB-CG2 4.32Å; W132-V143 HydrophobicContact CG-CG2 4.49Å; S141-V143 PolarHBondContact O-N 2.86Å; V143-V160 HydrophobicContact CG1-CG1 3.57Å; V143-M161 CarbonylContact C-O 3.57Å; V143-M161 VanDerWaalsContact CA-O 3.3Å; V143-M161 WeakPolarHBondContact CA-O 3.43Å; V143-L162 HydrophobicContact CG2-CD1 3.74Å
144M97.8Very high97Very high82 Ų8286.6 Ų86.640%0.40447%0.474SS..EExtended strand (participates in β ladder)trans-128.8150.9176.7-60.5-172.4-72.500110.6L115 V160 M161L115-M144 HydrophobicContact CD2-CE 4.06Å; M144-V160 CarbonylContact O-C 3.56Å; M144-V160 WeakPolarHBondContact O-CA 3.29Å; M144-M161 HydrophobicContact CB-CB 4.36Å; M144-M161 HydrophobicContact CB-CE 4.08Å; M144-M161 PolarHBondContact N-O 2.98Å; M144-M161 PolarHBondContact O-N 2.64Å
145S96.9Very high97Very high69 Ų6984 Ų8448%0.48347%0.466SS..EExtended strand (participates in β ladder)trans-130.1144.4175.5176.20000110.5G147 T159S145-G147 PolarHBondContact O-N 3.06Å; S145-G147 PolarHBondContact OG-N 3.27Å; S145-T159 WeakPolarHBondContact CA-O 3.47Å
146T95.4Very high97.2Very high79 Ų7980.3 Ų80.349%0.48545%0.445SS..  trans-69.7-9.6168.858.10000113T159 M161T146-T159 PolarHBondContact N-O 3.26Å; T146-T159 PolarHBondContact OG1-N 3.17Å; T146-T159 PolarHBondContact OG1-O 3.08Å; T146-M161 HydrophobicContact CG2-CE 3.93Å
147G96.8Very high97.4Very high33 Ų3380.4 Ų80.434%0.3443%0.427SS..  trans74.1-177.7-163.100000112S145 T158S145-G147 PolarHBondContact O-N 3.06Å; S145-G147 PolarHBondContact OG-N 3.27Å; G147-T158 WeakPolarHBondContact O-CB 3.38Å; G147-T158 PolarHBondContact O-OG1 3.23Å
148L97.8Very high97.5Very high87 Ų8773.2 Ų73.246%0.45539%0.394SS..  trans-83.2124.2179.7-172.373.3000110.5F123 G126 F156F123-L148 HydrophobicContact CE2-CD1 3.95Å; F123-L148 HydrophobicContact CZ-CD1 3.69Å; G126-L148 WeakPolarHBondContact O-CD1 3.37Å; L148-F156 HydrophobicContact CD1-CB 3.7Å; L148-F156 HydrophobicContact CD1-CD1 3.94Å; L148-F156 HydrophobicContact CD1-CG 4.03Å; L148-F156 HydrophobicContact CD2-CD1 3.64Å; L148-F156 HydrophobicContact CD2-CE1 3.8Å; L148-F156 HydrophobicContact CD2-CG 4.32Å; L148-F156 HydrophobicContact CG-CB 4.34Å; L148-F156 HydrophobicContact CG-CD1 3.65Å; L148-F156 HydrophobicContact CG-CE1 4.29Å; L148-F156 HydrophobicContact CG-CG 4.26Å
149V98.3Very high97.5Very high62 Ų6271.1 Ų71.138%0.37639%0.386SS..EExtended strand (participates in β ladder)trans-106.2132.8176.3179.70000109.3F156 Q157V149-F156 VanDerWaalsContact O-CA 3.25Å; V149-F156 WeakPolarHBondContact O-CA 3.46Å; V149-Q157 HydrophobicContact CB-CG 3.73Å; V149-Q157 HydrophobicContact CG1-CG 4.13Å; V149-Q157 PolarHBondContact N-O 2.94Å; V149-Q157 PolarHBondContact O-N 2.85Å
150R98.1Very high97.6Very high181 Ų18168.7 Ų68.768%0.68338%0.376SS*.EExtended strand (participates in β ladder)trans-95.4121.4175.4-174.9-174.2-62.5-88-0.3109.6F156R150-F156 HydrophobicContact CB-CD1 4.21Å; R150-F156 HydrophobicContact CB-CE1 4.05Å; R150-F156 HydrophobicContact CG-CE1 4.12Å
151N97.7Very high97.6Very high54 Ų5461.5 Ų61.529%0.28935%0.35SS..  trans-79.6-19.8-174.8-66.9-21.1000113.8D153 T155 Q157N151-D153 VanDerWaalsContact CB-OD1 3.25Å; N151-D153 WeakPolarHBondContact CB-OD1 3.12Å; N151-T155 PolarHBondContact N-O 3.35Å; N151-T155 VanDerWaalsContact N-O 3.16Å; N151-T155 PolarHBondContact ND2-OG1 2.93Å; N151-Q157 PolarHBondContact OD1-NE2 3.16Å
152G97Very high97.7Very high69 Ų6957 Ų5771%0.71132%0.319SS*.SBendtrans89.8-1.3-17800000114.4
153D97.6Very high97.8Very high91 Ų9161.7 Ų61.749%0.48733%0.334SS..SBendtrans-115.321.8-179.166.4-5.7000112.9N151 T155N151-D153 VanDerWaalsContact CB-OD1 3.25Å; N151-D153 WeakPolarHBondContact CB-OD1 3.12Å; D153-T155 VanDerWaalsContact C-N 3.31Å; D153-T155 WeakPolarHBondContact OD1-CB 3.42Å; D153-T155 PolarHBondContact OD1-N 2.68Å; D153-T155 PolarHBondContact OD1-OG1 2.8Å
154W97.4Very high97.6Very high144 Ų14459.5 Ų59.555%0.54532%0.321SS..SBendtrans66.826.6-173.4-61.273.4000115T91 Y124T91-W154 HydrophobicContact CG2-CH2 3.98Å; T91-W154 HydrophobicContact CG2-CZ3 4.01Å; Y124-W154 WeakPolarHBondContact CD2-O 3.42Å; Y124-W154 HydrophobicContact CE2-CE3 4.01Å
155T98.4Very high97.4Very high13 Ų1358.8 Ų58.88%0.0832%0.318CS..  trans-124165.4165.370.50000111.8F123 N151 D153F123-T155 CarbonylContact O-C 3.47Å; F123-T155 WeakPolarHBondContact O-CA 3.43Å; N151-T155 PolarHBondContact N-O 3.35Å; N151-T155 VanDerWaalsContact N-O 3.16Å; N151-T155 PolarHBondContact ND2-OG1 2.93Å; D153-T155 VanDerWaalsContact C-N 3.31Å; D153-T155 WeakPolarHBondContact OD1-CB 3.42Å; D153-T155 PolarHBondContact OD1-N 2.68Å; D153-T155 PolarHBondContact OD1-OG1 2.8Å
156F98.6Very high97.2Very high12 Ų1255.5 Ų55.55%0.05330%0.295CS..EExtended strand (participates in β ladder)trans-125.2161.9175.6-63.1-88.2000110.7D122 F123 Y124 G126 L148 V149 R150D122-F156 PolarHBondContact N-O 3.01Å; D122-F156 VanDerWaalsContact N-O 3.13Å; F123-F156 VanDerWaalsContact CD1-O 3.31Å; F123-F156 WeakPolarHBondContact CD1-O 3.47Å; F123-F156 HydrophobicContact CD2-CB 4.19Å; F123-F156 HydrophobicContact CE1-CB 4.28Å; F123-F156 WeakPolarHBondContact CE1-O 3.42Å; F123-F156 HydrophobicContact CE2-CB 3.76Å; F123-F156 HydrophobicContact CZ-CB 3.81Å; F123-F156 PolarHBondContact N-O 2.63Å; F123-F156 PolarHBondContact O-N 2.76Å; Y124-F156 HydrophobicContact CD2-CD2 4Å; Y124-F156 AromaticContact CD2-CE2 3.56Å; Y124-F156 HydrophobicContact CD2-CE2 3.56Å; Y124-F156 AromaticContact CE2-CE2 3.82Å; Y124-F156 HydrophobicContact CE2-CE2 3.82Å; G126-F156 VanDerWaalsContact CA-CD2 3.48Å; G126-F156 VanDerWaalsContact N-CE2 3.34Å; L148-F156 HydrophobicContact CD1-CB 3.7Å; L148-F156 HydrophobicContact CD1-CD1 3.94Å; L148-F156 HydrophobicContact CD1-CG 4.03Å; L148-F156 HydrophobicContact CD2-CD1 3.64Å; L148-F156 HydrophobicContact CD2-CE1 3.8Å; L148-F156 HydrophobicContact CD2-CG 4.32Å; L148-F156 HydrophobicContact CG-CB 4.34Å; L148-F156 HydrophobicContact CG-CD1 3.65Å; L148-F156 HydrophobicContact CG-CE1 4.29Å; L148-F156 HydrophobicContact CG-CG 4.26Å; V149-F156 VanDerWaalsContact O-CA 3.25Å; V149-F156 WeakPolarHBondContact O-CA 3.46Å; R150-F156 HydrophobicContact CB-CD1 4.21Å; R150-F156 HydrophobicContact CB-CE1 4.05Å; R150-F156 HydrophobicContact CG-CE1 4.12Å
157Q98.5Very high97Very high69 Ų6956.9 Ų56.932%0.32230%0.296SS..EExtended strand (participates in β ladder)trans-141.6155.9168.863.7-177.7-43.400110.9V120 T121 V149 N151V120-Q157 CarbonylContact O-C 3.59Å; V120-Q157 VanDerWaalsContact O-CA 3.25Å; V120-Q157 WeakPolarHBondContact O-CA 3.41Å; T121-Q157 HydrophobicContact CG2-CB 4.07Å; V149-Q157 HydrophobicContact CB-CG 3.73Å; V149-Q157 HydrophobicContact CG1-CG 4.13Å; V149-Q157 PolarHBondContact N-O 2.94Å; V149-Q157 PolarHBondContact O-N 2.85Å; N151-Q157 PolarHBondContact OD1-NE2 3.16Å
158T98.6Very high96.6Very high7 Ų761.3 Ų61.34%0.04331%0.311CS..EExtended strand (participates in β ladder)trans-151.6148.9170.1-168.40000109.7V120 F123 I128 V130 G147V120-T158 HydrophobicContact CB-CG2 4.16Å; V120-T158 PolarHBondContact N-O 3.23Å; V120-T158 PolarHBondContact O-N 3.48Å; F123-T158 HydrophobicContact CE1-CG2 4.37Å; F123-T158 HydrophobicContact CZ-CG2 4.28Å; I128-T158 HydrophobicContact CG2-CG2 4.37Å; V130-T158 HydrophobicContact CG2-CG2 4.31Å; G147-T158 WeakPolarHBondContact O-CB 3.38Å; G147-T158 PolarHBondContact O-OG1 3.23Å
159T98.6Very high96.2Very high23 Ų2360 Ų6014%0.14132%0.319CS..EExtended strand (participates in β ladder)trans-120.2124.8172.7-52.60000109L117 C118 S145 T146 M161L117-T159 HydrophobicContact CB-CG2 4.15Å; L117-T159 HydrophobicContact CD2-CG2 4.15Å; L117-T159 HydrophobicContact CG-CG2 4.29Å; C118-T159 WeakPolarHBondContact O-CA 3.45Å; S145-T159 WeakPolarHBondContact CA-O 3.47Å; T146-T159 PolarHBondContact N-O 3.26Å; T146-T159 PolarHBondContact OG1-N 3.17Å; T146-T159 PolarHBondContact OG1-O 3.08Å; T159-M161 HydrophobicContact CG2-CG 4.34Å
160V98.6Very high95.9Very high9 Ų957.4 Ų57.46%0.05530%0.303CS..EExtended strand (participates in β ladder)trans-109.3117174.1-174.70000108.9C118 V130 W132 V143 M144C118-V160 PolarHBondContact N-O 3.05Å; C118-V160 PolarHBondContact O-N 3.12Å; V130-V160 HydrophobicContact CB-CG2 3.75Å; V130-V160 HydrophobicContact CG1-CB 3.84Å; V130-V160 HydrophobicContact CG1-CG1 4.46Å; V130-V160 HydrophobicContact CG1-CG2 3.58Å; V130-V160 HydrophobicContact CG2-CG2 4.4Å; W132-V160 PolarHBondContact NE1-O 3.26Å; V143-V160 HydrophobicContact CG1-CG1 3.57Å; M144-V160 CarbonylContact O-C 3.56Å; M144-V160 WeakPolarHBondContact O-CA 3.29Å
161M98.4Very high95.8Very high36 Ų3651.3 Ų51.318%0.17729%0.286CS..EExtended strand (participates in β ladder)trans-98.3146.1-177.6-66.2149.9-73.300110.3L116 L117 V143 M144 T146 T159L116-M161 CarbonylContact O-C 3.53Å; L116-M161 VanDerWaalsContact O-CA 3.27Å; L116-M161 WeakPolarHBondContact O-CA 3.08Å; L117-M161 HydrophobicContact CG-CG 3.99Å; V143-M161 CarbonylContact C-O 3.57Å; V143-M161 VanDerWaalsContact CA-O 3.3Å; V143-M161 WeakPolarHBondContact CA-O 3.43Å; M144-M161 HydrophobicContact CB-CB 4.36Å; M144-M161 HydrophobicContact CB-CE 4.08Å; M144-M161 PolarHBondContact N-O 2.98Å; M144-M161 PolarHBondContact O-N 2.64Å; T146-M161 HydrophobicContact CG2-CE 3.93Å; T159-M161 HydrophobicContact CG2-CG 4.34Å
162L98.4Very high95.7Very high2 Ų248.9 Ų48.91%0.0127%0.272CS..EExtended strand (participates in β ladder)trans-125.4123.1171.317465.8000109.7L115 L116 W132 E139 V143 M164 Y172L115-L162 WeakPolarHBondContact CA-O 3.43Å; L116-L162 PolarHBondContact N-O 2.88Å; L116-L162 PolarHBondContact O-N 3.32Å; W132-L162 HydrophobicContact CB-CD2 4.24Å; W132-L162 HydrophobicContact CD2-CB 3.98Å; W132-L162 HydrophobicContact CD2-CD2 4.08Å; W132-L162 HydrophobicContact CE3-CD2 4.22Å; W132-L162 HydrophobicContact CG-CB 3.97Å; W132-L162 HydrophobicContact CG-CD2 4.11Å; W132-L162 HydrophobicContact CG-CG 4.5Å; W132-L162 HydrophobicContact CZ2-CB 4.39Å; E139-L162 HydrophobicContact CG-CD1 3.63Å; E139-L162 HydrophobicContact CG-CD2 4.39Å; V143-L162 HydrophobicContact CG2-CD1 3.74Å; L162-M164 PolarHBondContact O-N 2.93Å; L162-Y172 HydrophobicContact CD2-CD1 3.64Å; L162-Y172 HydrophobicContact CD2-CE1 3.99Å
163E97.6Very high95.8Very high120 Ų12046.7 Ų46.756%0.56125%0.246SC*.EExtended strand (participates in β ladder)trans-66.7124.6165.4-70.2-179.6-179.100110.1L115 G142L115-E163 HydrophobicContact CD2-CB 4.34Å; L115-E163 HydrophobicContact CD2-CG 3.58Å; G142-E163 PolarHBondContact O-N 2.71Å
164M93.8Very high95.8Very high8 Ų842.3 Ų42.34%0.03922%0.223CC..EExtended strand (participates in β ladder)trans-140.6155.5-178.965.2168.1-176.300112.7P104 N114 L116 L162 Y172 W189P104-M164 HydrophobicContact CB-CE 4.37Å; N114-M164 HydrophobicContact CB-CE 4.18Å; N114-M164 PolarHBondContact N-O 2.87Å; N114-M164 PolarHBondContact O-N 3.38Å; N114-M164 VanDerWaalsContact O-O 3.1Å; L116-M164 HydrophobicContact CB-CE 3.81Å; L116-M164 HydrophobicContact CB-CG 4.45Å; L116-M164 HydrophobicContact CB-SD 3.85Å; L116-M164 HydrophobicContact CD1-CE 3.87Å; L116-M164 HydrophobicContact CD2-SD 4.22Å; L116-M164 HydrophobicContact CG-CE 4.29Å; L116-M164 HydrophobicContact CG-SD 4.43Å; L162-M164 PolarHBondContact O-N 2.93Å; M164-Y172 HydrophobicContact CB-CE1 3.97Å; M164-Y172 HydrophobicContact SD-CD1 4.47Å; M164-Y172 HydrophobicContact SD-CD2 4.25Å; M164-Y172 HydrophobicContact SD-CE1 4.18Å; M164-Y172 HydrophobicContact SD-CE2 3.95Å; M164-Y172 HydrophobicContact SD-CG 4.5Å; M164-W189 HydrophobicContact CE-CE3 4.44Å; M164-W189 HydrophobicContact CE-CH2 3.69Å; M164-W189 HydrophobicContact CE-CZ2 4.31Å; M164-W189 HydrophobicContact CE-CZ3 3.77Å; M164-W189 HydrophobicContact SD-CE3 4.49Å; M164-W189 HydrophobicContact SD-CH2 4.36Å; M164-W189 HydrophobicContact SD-CZ3 3.88Å
165I94Very high95.9Very high67 Ų6736.8 Ų36.834%0.34420%0.204SC..  trans-121.7100.1164-56.3174000104.6H113 E167H113-I165 WeakPolarHBondContact CE1-CD1 3.45Å; H113-I165 WeakPolarHBondContact ND1-CG1 3.39Å; I165-E167 PolarHBondContact O-N 3.04Å
166P91.2Very high95.9Very high0 Ų036.2 Ų36.20%020%0.2CC..  trans-70.8129.7-170.128.2-31.7000110.8L109 Q111 Q112 W189 A191L109-P166 WeakPolarHBondContact O-CG 3.3Å; Q111-P166 PolarHBondContact N-O 3.09Å; Q111-P166 VanDerWaalsContact N-O 3.11Å; Q112-P166 WeakPolarHBondContact O-CD 3.43Å; P166-W189 HydrophobicContact CB-CH2 4.29Å; P166-W189 HydrophobicContact CB-CZ3 4.4Å; P166-A191 HydrophobicContact CB-CB 4.02Å
167E90.8Very high95.9Very high108 Ų10839 Ų3951%0.50521%0.213SC..  trans-105.2154.5171.7-65.4173.5-135.400110.6R134 I165 G169 D170 A191R134-E167 IonicContact NH2-OE1 3.14Å; R134-E167 PolarHBondContact NH2-OE1 2.92Å; R134-E167 VanDerWaalsContact NH2-OE1 3.14Å; I165-E167 PolarHBondContact O-N 3.04Å; E167-G169 PolarHBondContact O-N 2.96Å; E167-D170 WeakPolarHBondContact CB-OD2 3.03Å; E167-D170 PolarHBondContact N-OD2 3.47Å; E167-D170 WeakPolarHBondContact O-CB 3.37Å; E167-D170 PolarHBondContact O-N 3.09Å; E167-D170 VanDerWaalsContact O-N 3.08Å; E167-A191 WeakPolarHBondContact O-CB 3.43Å
168L89.8Confident95.9Very high125 Ų12536.3 Ų36.365%0.65420%0.201SC*.THydrogen-bonded Turntrans-62.1125.7-179.8-176.569.1000110.3L110 D170L110-L168 HydrophobicContact CD1-CB 4.41Å; L168-D170 VanDerWaalsContact C-N 3.34Å
169G87.9Confident95.9Very high60 Ų6039.7 Ų39.762%0.61922%0.223SC*.THydrogen-bonded Turntrans88-2.7-179.600000114.5E167 V171E167-G169 PolarHBondContact O-N 2.96Å; G169-V171 PolarHBondContact O-N 2.85Å
170D93.1Very high95.9Very high8 Ų839.9 Ų39.94%0.04323%0.225CC..  trans-61136.7169.6-84.8-30.4000111.3R134 N135 E167 L168 Y172 A191R134-D170 IonicContact CZ-OD1 3.63Å; R134-D170 IonicContact CZ-OD2 3.36Å; R134-D170 IonicContact NE-OD1 3.13Å; R134-D170 PolarHBondContact NE-OD1 3.42Å; R134-D170 VanDerWaalsContact NE-OD1 3.13Å; R134-D170 IonicContact NE-OD2 3.3Å; R134-D170 PolarHBondContact NE-OD2 3.29Å; R134-D170 IonicContact NH2-OD1 3.26Å; R134-D170 PolarHBondContact NH2-OD1 3.39Å; R134-D170 IonicContact NH2-OD2 2.74Å; R134-D170 PolarHBondContact NH2-OD2 2.97Å; N135-D170 PolarHBondContact ND2-OD1 2.78Å; E167-D170 WeakPolarHBondContact CB-OD2 3.03Å; E167-D170 PolarHBondContact N-OD2 3.47Å; E167-D170 WeakPolarHBondContact O-CB 3.37Å; E167-D170 PolarHBondContact O-N 3.09Å; E167-D170 VanDerWaalsContact O-N 3.08Å; L168-D170 VanDerWaalsContact C-N 3.34Å; D170-Y172 HydrophobicContact CB-CD2 4.13Å; D170-Y172 HydrophobicContact CB-CE2 3.45Å; D170-Y172 VanDerWaalsContact CB-CE2 3.45Å; D170-Y172 PolarHBondContact OD2-OH 2.85Å; D170-A191 HydrophobicContact CB-CB 4.24Å; D170-A191 PolarHBondContact O-N 3.25Å; D170-A191 VanDerWaalsContact O-N 3.1Å
171V95.5Very high95.8Very high53 Ų5341 Ų4132%0.32123%0.23SC..EExtended strand (participates in β ladder)trans-119.4117.3170.3-172.50000108.7N135 G169 A188 M190N135-V171 PolarHBondContact N-O 3.34Å; N135-V171 PolarHBondContact OD1-N 2.9Å; G169-V171 PolarHBondContact O-N 2.85Å; V171-A188 HydrophobicContact CG1-CB 4.26Å; V171-M190 HydrophobicContact CG1-CG 4.39Å; V171-M190 HydrophobicContact CG2-CG 4.2Å
172Y97Very high95.8Very high3 Ų345.5 Ų45.51%0.01226%0.262CS..EExtended strand (participates in β ladder)trans-101.6135.6174.3-62.5-95000108.9L116 F133 R134 L162 M164 D170 A188 W189L116-Y172 VanDerWaalsContact CD2-CB 3.45Å; L116-Y172 HydrophobicContact CD2-CD1 4.38Å; L116-Y172 HydrophobicContact CD2-CG 3.89Å; F133-Y172 CarbonylContact O-C 3.59Å; F133-Y172 VanDerWaalsContact O-CA 3.31Å; F133-Y172 WeakPolarHBondContact O-CA 3.15Å; R134-Y172 HydrophobicContact CB-CD1 4.23Å; R134-Y172 HydrophobicContact CB-CE1 4.22Å; R134-Y172 HydrophobicContact CG-CD1 4.17Å; R134-Y172 HydrophobicContact CG-CE1 3.81Å; R134-Y172 PolarHBondContact NE-OH 3.08Å; L162-Y172 HydrophobicContact CD2-CD1 3.64Å; L162-Y172 HydrophobicContact CD2-CE1 3.99Å; M164-Y172 HydrophobicContact CB-CE1 3.97Å; M164-Y172 HydrophobicContact SD-CD1 4.47Å; M164-Y172 HydrophobicContact SD-CD2 4.25Å; M164-Y172 HydrophobicContact SD-CE1 4.18Å; M164-Y172 HydrophobicContact SD-CE2 3.95Å; M164-Y172 HydrophobicContact SD-CG 4.5Å; D170-Y172 HydrophobicContact CB-CD2 4.13Å; D170-Y172 HydrophobicContact CB-CE2 3.45Å; D170-Y172 VanDerWaalsContact CB-CE2 3.45Å; D170-Y172 PolarHBondContact OD2-OH 2.85Å; Y172-A188 CarbonylContact O-C 3.51Å; Y172-A188 VanDerWaalsContact O-CA 3.32Å; Y172-A188 WeakPolarHBondContact O-CA 2.99Å; Y172-W189 AromaticContact CD2-CE3 3.65Å; Y172-W189 HydrophobicContact CD2-CE3 3.65Å; Y172-W189 AromaticContact CD2-CZ3 3.76Å; Y172-W189 HydrophobicContact CD2-CZ3 3.76Å; Y172-W189 HydrophobicContact CE2-CE3 4.38Å; Y172-W189 HydrophobicContact CE2-CZ3 4.01Å; Y172-W189 HydrophobicContact CG-CE3 4.35Å; Y172-W189 PolarHBondContact N-O 2.99Å; Y172-W189 PolarHBondContact O-N 3.08Å
173S98.1Very high95.8Very high22 Ų2255 Ų5515%0.15430%0.298CS..EExtended strand (participates in β ladder)trans-130.8128.9179.7-63.10000110.8W132 F133 V187W132-S173 CarbonylContact C-O 3.56Å; F133-S173 PolarHBondContact N-O 2.73Å; F133-S173 PolarHBondContact O-N 3.27Å; S173-V187 WeakPolarHBondContact CA-O 3.35Å
174C98.6Very high95.8Very high0 Ų052.7 Ų52.70%029%0.293CS..EExtended strand (participates in β ladder)trans-93.6116.9168.1-178.40000109.2V102 C118 V130 W132 S186 V187V102-C174 HydrophobicContact CG2-CB 3.65Å; C118-C174 HydrophobicContact CB-CB 3.57Å; C118-C174 WeakPolarHBondContact CB-SG 3.42Å; C118-C174 WeakPolarHBondContact SG-CB 3.29Å; C118-C174 CovalentContact SG-SG 2.02Å; C118-C174 PolarHBondContact SG-SG 3.16Å; V130-C174 VanDerWaalsContact CG1-SG 3.55Å; W132-C174 HydrophobicContact CE3-CB 4.2Å; W132-C174 HydrophobicContact CH2-CB 3.98Å; W132-C174 HydrophobicContact CZ2-CB 4.41Å; W132-C174 HydrophobicContact CZ3-CB 3.87Å; C174-S186 WeakPolarHBondContact O-CA 3.44Å; C174-V187 PolarHBondContact N-O 3.24Å; C174-V187 PolarHBondContact O-N 2.97Å
175L98.7Very high96Very high28 Ų2854.8 Ų54.815%0.14731%0.306CS..EExtended strand (participates in β ladder)trans-101.8122.5177.9-173.373.8000109.7V130 R131 F133 P184 V185V130-L175 WeakPolarHBondContact CA-O 3.31Å; R131-L175 PolarHBondContact N-O 2.61Å; R131-L175 VanDerWaalsContact NH2-CD2 3.25Å; R131-L175 PolarHBondContact O-N 2.8Å; F133-L175 HydrophobicContact CD2-CB 4.05Å; F133-L175 HydrophobicContact CE2-CB 3.79Å; F133-L175 HydrophobicContact CE2-CD2 3.64Å; F133-L175 HydrophobicContact CE2-CG 4.38Å; F133-L175 HydrophobicContact CZ-CD2 4.05Å; L175-P184 HydrophobicContact CD1-CB 3.72Å; L175-P184 HydrophobicContact CG-CB 4.22Å; L175-V185 CarbonylContact C-O 3.5Å; L175-V185 WeakPolarHBondContact CA-O 3.26Å
176V98.8Very high96.2Very high0 Ų055 Ų550%031%0.314CS..EExtended strand (participates in β ladder)trans-117.2125.1-177.9-179.10000109.9P98 V100 V120 I128 S129 V130 P184 V185P98-V176 HydrophobicContact CG-CG1 4.09Å; V100-V176 HydrophobicContact CG1-CG2 3.9Å; V100-V176 HydrophobicContact CG2-CB 4.14Å; V100-V176 HydrophobicContact CG2-CG1 4.35Å; V100-V176 HydrophobicContact CG2-CG2 3.8Å; V120-V176 HydrophobicContact CG1-CG1 4.17Å; V120-V176 HydrophobicContact CG2-CG2 3.91Å; I128-V176 HydrophobicContact CD1-CG1 3.83Å; I128-V176 HydrophobicContact CG1-CG1 4.13Å; S129-V176 WeakPolarHBondContact O-CA 3.17Å; V130-V176 HydrophobicContact CG1-CG2 4.28Å; V130-V176 HydrophobicContact CG2-CG1 4.46Å; V130-V176 HydrophobicContact CG2-CG2 4.28Å; V176-P184 CarbonylContact O-C 3.56Å; V176-P184 VanDerWaalsContact O-CA 3.3Å; V176-P184 WeakPolarHBondContact O-CA 3.28Å; V176-V185 PolarHBondContact N-O 3.41Å; V176-V185 PolarHBondContact O-N 2.57Å
177E98.7Very high96.5Very high71 Ų7157 Ų5733%0.33233%0.326SS..EExtended strand (participates in β ladder)trans-115.7128.6173.3-62.6176.3-171.700108.8I128 S129 R131 P184I128-E177 WeakPolarHBondContact CG1-O 3.45Å; S129-E177 PolarHBondContact N-O 2.95Å; S129-E177 PolarHBondContact O-N 3.41Å; R131-E177 IonicContact CZ-OE1 2.64Å; R131-E177 IonicContact NH2-OE1 2.84Å; R131-E177 PolarHBondContact NH2-OE1 3.4Å; E177-P184 HydrophobicContact CG-CB 3.82Å; E177-P184 HydrophobicContact CG-CG 3.85Å
178H98.7Very high96.8Very high13 Ų1354.8 Ų54.86%0.0633%0.327CS..  trans-152.2142.5-176.8-178.7-103.3000109.7V96 P98 F123 Y124 P125 D127 I128 S180 L181V96-H178 PolarHBondContact O-CE1 3.07Å; P98-H178 HydrophobicContact CG-CB 4.43Å; F123-H178 AromaticContact CD2-CD2 3.82Å; F123-H178 AromaticContact CD2-NE2 3.61Å; Y124-H178 VanDerWaalsContact C-CE1 3.46Å; Y124-H178 PolarHBondContact O-CE1 2.87Å; P125-H178 PolarHBondContact O-NE2 2.89Å; D127-H178 PolarHBondContact O-CD2 2.92Å; D127-H178 VanDerWaalsContact O-CD2 3.23Å; I128-H178 HydrophobicContact CD1-CB 4.36Å; I128-H178 HydrophobicContact CG1-CB 4.19Å; H178-S180 PolarHBondContact CE1-OG 3.32Å; H178-S180 VanDerWaalsContact ND1-CB 3.35Å; H178-S180 WeakPolarHBondContact ND1-CB 3.25Å; H178-S180 PolarHBondContact ND1-N 2.72Å; H178-S180 PolarHBondContact ND1-OG 2.96Å; H178-S180 PolarHBondContact O-N 3Å; H178-S180 VanDerWaalsContact O-N 3.08Å; H178-L181 HydrophobicContact CB-CD1 4.03Å; H178-L181 HydrophobicContact CB-CG 4.28Å; H178-L181 WeakPolarHBondContact O-CB 3.23Å; H178-L181 PolarHBondContact O-N 3.2Å
179P97.9Very high97Very high78 Ų7850.5 Ų50.551%0.50630%0.302SS..THydrogen-bonded Turntrans-56.9-26.8-175.9-28.936.7000115.4P125 D127 L181P125-P179 HydrophobicContact CG-CG 4.32Å; D127-P179 WeakPolarHBondContact O-CD 3.03Å; P179-L181 PolarHBondContact O-N 2.87Å
180S98Very high97.3Very high26 Ų2654.3 Ų54.318%0.18231%0.305CS..THydrogen-bonded Turntrans-75.4-11.7177.478.40000113.9V96 P97 H178V96-S180 PolarHBondContact O-OG 2.84Å; P97-S180 WeakPolarHBondContact CA-OG 3.46Å; H178-S180 PolarHBondContact CE1-OG 3.32Å; H178-S180 VanDerWaalsContact ND1-CB 3.35Å; H178-S180 WeakPolarHBondContact ND1-CB 3.25Å; H178-S180 PolarHBondContact ND1-N 2.72Å; H178-S180 PolarHBondContact ND1-OG 2.96Å; H178-S180 PolarHBondContact O-N 3Å; H178-S180 VanDerWaalsContact O-N 3.08Å
181L98Very high96.9Very high33 Ų3354.4 Ų54.417%0.17331%0.307CS..  trans-99.5130.9-175.5-64.9173.4000109.6P97 P98 H178 P179 R183 V185P97-L181 HydrophobicContact CB-CD2 3.93Å; P98-L181 HydrophobicContact CG-CD1 3.89Å; P98-L181 HydrophobicContact CG-CG 4.45Å; H178-L181 HydrophobicContact CB-CD1 4.03Å; H178-L181 HydrophobicContact CB-CG 4.28Å; H178-L181 WeakPolarHBondContact O-CB 3.23Å; H178-L181 PolarHBondContact O-N 3.2Å; P179-L181 PolarHBondContact O-N 2.87Å; L181-R183 WeakPolarHBondContact CB-O 3.34Å; L181-R183 PolarHBondContact O-N 3.47Å; L181-V185 HydrophobicContact CD1-CB 4.29Å; L181-V185 HydrophobicContact CD1-CG2 3.78Å; L181-V185 HydrophobicContact CD2-CG2 4.06Å
182P97.3Very high96Very high131 Ų13154.1 Ų54.185%0.85131%0.307SS*.SBendtrans-69.1-23177.628.6-35000112.6
183R97.6Very high94.5Very high201 Ų20157.3 Ų57.376%0.75833%0.329SS*.SBendtrans-147.8156.5177.2-62.9-176-168156.14.4109.5L181L181-R183 WeakPolarHBondContact CB-O 3.34Å; L181-R183 PolarHBondContact O-N 3.47Å
184P97.9Very high92.6Very high71 Ų7164.1 Ų64.146%0.46136%0.358SS..  trans-57.2140.3174.3-20.831.6000111.8L175 V176 E177L175-P184 HydrophobicContact CD1-CB 3.72Å; L175-P184 HydrophobicContact CG-CB 4.22Å; V176-P184 CarbonylContact O-C 3.56Å; V176-P184 VanDerWaalsContact O-CA 3.3Å; V176-P184 WeakPolarHBondContact O-CA 3.28Å; E177-P184 HydrophobicContact CG-CB 3.82Å; E177-P184 HydrophobicContact CG-CG 3.85Å
185V98.3Very high90.7Very high52 Ų5272 Ų7232%0.31539%0.39SS..EExtended strand (participates in β ladder)trans-96.6130.5174.1168.90000108.5V100 L175 V176 L181 V187V100-V185 HydrophobicContact CB-CG1 4.49Å; V100-V185 HydrophobicContact CG2-CG1 4.23Å; L175-V185 CarbonylContact C-O 3.5Å; L175-V185 WeakPolarHBondContact CA-O 3.26Å; V176-V185 PolarHBondContact N-O 3.41Å; V176-V185 PolarHBondContact O-N 2.57Å; L181-V185 HydrophobicContact CD1-CB 4.29Å; L181-V185 HydrophobicContact CD1-CG2 3.78Å; L181-V185 HydrophobicContact CD2-CG2 4.06Å; V185-V187 HydrophobicContact CG1-CG2 4.2Å
186S97.8Very high88.6Confident72 Ų7273 Ų7350%0.50340%0.399SS..EExtended strand (participates in β ladder)trans-119.8119.6176.7-176.40000109.8C174C174-S186 WeakPolarHBondContact O-CA 3.44Å
187V98.1Very high86.8Confident41 Ų4181.2 Ų81.225%0.24843%0.43CS..EExtended strand (participates in β ladder)trans-108.7121.4174.9-1790000108.8V100 V102 S173 C174 V185V100-V187 HydrophobicContact CB-CG2 3.83Å; V100-V187 HydrophobicContact CG1-CB 4.15Å; V100-V187 HydrophobicContact CG1-CG2 3.59Å; V102-V187 HydrophobicContact CB-CG1 4Å; V102-V187 HydrophobicContact CG2-CB 3.85Å; V102-V187 HydrophobicContact CG2-CG1 3.71Å; S173-V187 WeakPolarHBondContact CA-O 3.35Å; C174-V187 PolarHBondContact N-O 3.24Å; C174-V187 PolarHBondContact O-N 2.97Å; V185-V187 HydrophobicContact CG1-CG2 4.2Å
188A96.8Very high84.9Confident63 Ų6383.7 Ų83.752%0.52144%0.441SS..EExtended strand (participates in β ladder)trans-98.1145.2-177.500000111.8V171 Y172V171-A188 HydrophobicContact CG1-CB 4.26Å; Y172-A188 CarbonylContact O-C 3.51Å; Y172-A188 VanDerWaalsContact O-CA 3.32Å; Y172-A188 WeakPolarHBondContact O-CA 2.99Å
189W95.4Very high83.1Confident35 Ų3591 Ų9113%0.13347%0.473CS..EExtended strand (participates in β ladder)trans-129.2131.8170.8-179.192.1000109V102 P104 P108 L116 M164 P166 Y172 A191V102-W189 HydrophobicContact CB-CB 4.47Å; V102-W189 HydrophobicContact CG1-CB 3.6Å; V102-W189 HydrophobicContact CG1-CG 4.23Å; P104-W189 HydrophobicContact CB-CZ2 4.46Å; P104-W189 HydrophobicContact CG-CZ2 4.31Å; P108-W189 HydrophobicContact CB-CH2 4.06Å; P108-W189 HydrophobicContact CB-CZ2 3.91Å; P108-W189 HydrophobicContact CG-CZ2 3.95Å; L116-W189 HydrophobicContact CD1-CB 4.34Å; L116-W189 HydrophobicContact CD1-CD2 3.67Å; L116-W189 HydrophobicContact CD1-CE3 4.01Å; L116-W189 HydrophobicContact CD1-CG 3.81Å; L116-W189 HydrophobicContact CD2-CB 4.22Å; L116-W189 HydrophobicContact CD2-CD2 4.29Å; L116-W189 HydrophobicContact CD2-CE3 4.03Å; L116-W189 HydrophobicContact CD2-CG 4.39Å; M164-W189 HydrophobicContact CE-CE3 4.44Å; M164-W189 HydrophobicContact CE-CH2 3.69Å; M164-W189 HydrophobicContact CE-CZ2 4.31Å; M164-W189 HydrophobicContact CE-CZ3 3.77Å; M164-W189 HydrophobicContact SD-CE3 4.49Å; M164-W189 HydrophobicContact SD-CH2 4.36Å; M164-W189 HydrophobicContact SD-CZ3 3.88Å; P166-W189 HydrophobicContact CB-CH2 4.29Å; P166-W189 HydrophobicContact CB-CZ3 4.4Å; Y172-W189 AromaticContact CD2-CE3 3.65Å; Y172-W189 HydrophobicContact CD2-CE3 3.65Å; Y172-W189 AromaticContact CD2-CZ3 3.76Å; Y172-W189 HydrophobicContact CD2-CZ3 3.76Å; Y172-W189 HydrophobicContact CE2-CE3 4.38Å; Y172-W189 HydrophobicContact CE2-CZ3 4.01Å; Y172-W189 HydrophobicContact CG-CE3 4.35Å; Y172-W189 PolarHBondContact N-O 2.99Å; Y172-W189 PolarHBondContact O-N 3.08Å; W189-A191 HydrophobicContact CH2-CB 4.44Å; W189-A191 HydrophobicContact CZ3-CB 4.25Å
190M92.6Very high81.4Confident139 Ų13991.8 Ų91.869%0.68547%0.472SS*.EExtended strand (participates in β ladder)trans-107.7137.7-178.5-68.9179.4-84.400109.6V171V171-M190 HydrophobicContact CG1-CG 4.39Å; V171-M190 HydrophobicContact CG2-CG 4.2Å
191A86Confident79.8Confident11 Ų1195.7 Ų95.79%0.09149%0.49CS..PPolyproline II helixtrans-58137.7173.300000110.3L110 P166 E167 D170 W189 S193L110-A191 HydrophobicContact CD2-CB 4.48Å; P166-A191 HydrophobicContact CB-CB 4.02Å; E167-A191 WeakPolarHBondContact O-CB 3.43Å; D170-A191 HydrophobicContact CB-CB 4.24Å; D170-A191 PolarHBondContact O-N 3.25Å; D170-A191 VanDerWaalsContact O-N 3.1Å; W189-A191 HydrophobicContact CH2-CB 4.44Å; W189-A191 HydrophobicContact CZ3-CB 4.25Å; A191-S193 PolarHBondContact O-N 3.47Å
192P76.4Confident78.6Confident47 Ų4797.9 Ų97.931%0.30551%0.508SS..PPolyproline II helixtrans-59.5137.1178.7-12.421.1000110.8P108P108-P192 HydrophobicContact CB-CG 3.65Å; P108-P192 HydrophobicContact CG-CG 3.25Å
193S66.1Low77.5Confident70 Ų7093.5 Ų93.549%0.4949%0.487SS..PPolyproline II helixtrans-76.6139.8163.454.40000109.8A191 Y195A191-S193 PolarHBondContact O-N 3.47Å; S193-Y195 PolarHBondContact O-N 3.46Å; S193-Y195 VanDerWaalsContact O-N 3.12Å; S193-Y195 PolarHBondContact OG-O 3.09Å
194E57.4Low76.7Confident164 Ų16486.1 Ų86.177%0.76647%0.469SS*.SBendtrans-57.1-25.2168.7-72.3-172.1151.400111.9L110L110-E194 HydrophobicContact CD1-CG 3.76Å
195Y57.9Low75.7Confident167 Ų16786.4 Ų86.466%0.65547%0.47SS*.SBendtrans-101.1108.5178.9-78.1-86.5000111.5S193 W197 I200S193-Y195 PolarHBondContact O-N 3.46Å; S193-Y195 VanDerWaalsContact O-N 3.12Å; S193-Y195 PolarHBondContact OG-O 3.09Å; Y195-W197 PolarHBondContact O-N 2.88Å; Y195-I200 HydrophobicContact CD1-CD1 3.7Å; Y195-I200 HydrophobicContact CD1-CG1 4.25Å; Y195-I200 HydrophobicContact CG-CD1 4.32Å
196S56.3Low75Confident48 Ų4887 Ų8734%0.33648%0.479SS..  trans-71.3108.5160.8169.30000108.2E198 K199 I200S196-E198 PolarHBondContact O-N 2.84Å; S196-E198 VanDerWaalsContact O-N 3.16Å; S196-K199 PolarHBondContact O-N 2.82Å; S196-I200 PolarHBondContact O-N 2.75Å
197W60.1Low74.5Confident172 Ų17290.5 Ų90.565%0.65249%0.486SS*.Hα-helixtrans-55.4-28.5174.763.9-90000112.1Y195 K199 I200 L201Y195-W197 PolarHBondContact O-N 2.88Å; W197-K199 VanDerWaalsContact C-N 3.34Å; W197-K199 PolarHBondContact O-N 3.11Å; W197-I200 PolarHBondContact O-N 3.36Å; W197-L201 HydrophobicContact CZ3-CD2 4.42Å; W197-L201 PolarHBondContact O-N 3.47Å
198E58.9Low74.1Confident123 Ų12393.9 Ų93.958%0.57550%0.502SS*.Hα-helixtrans-62.7-38174.6-63.8-154.9156.200112.8S196 S202S196-E198 PolarHBondContact O-N 2.84Å; S196-E198 VanDerWaalsContact O-N 3.16Å; E198-S202 PolarHBondContact O-N 3.4Å
199K60.4Low73.8Confident166 Ų16696.4 Ų96.472%0.72251%0.506SS*.Hα-helixtrans-72-35.4177.3-68.2-176.1179.8176.80112.2S196 W197 G203S196-K199 PolarHBondContact O-N 2.82Å; W197-K199 VanDerWaalsContact C-N 3.34Å; W197-K199 PolarHBondContact O-N 3.11Å; K199-G203 PolarHBondContact O-N 2.03Å
200I61.7Low73.6Confident95 Ų9596.8 Ų96.849%0.48752%0.521SS..Hα-helixtrans-67.5-41.8175.9-64.4163.8000110.5Y195 S196 W197 S202 G203 A204Y195-I200 HydrophobicContact CD1-CD1 3.7Å; Y195-I200 HydrophobicContact CD1-CG1 4.25Å; Y195-I200 HydrophobicContact CG-CD1 4.32Å; S196-I200 PolarHBondContact O-N 2.75Å; W197-I200 PolarHBondContact O-N 3.36Å; I200-S202 VanDerWaalsContact C-N 3.33Å; I200-S202 PolarHBondContact O-N 3.17Å; I200-G203 PolarHBondContact O-N 2.95Å; I200-A204 WeakPolarHBondContact O-CB 3.26Å; I200-A204 PolarHBondContact O-N 3.05Å
201L66.1Low73.6Confident108 Ų10893.6 Ų93.657%0.56551%0.507SS*.Hα-helixtrans-65.3-37.9-179.5-163.269.3000111.9W197 T205W197-L201 HydrophobicContact CZ3-CD2 4.42Å; W197-L201 PolarHBondContact O-N 3.47Å; L201-T205 PolarHBondContact O-N 3.45Å; L201-T205 PolarHBondContact O-OG1 3.28Å
202S71.2Confident73.9Confident79 Ų7996.8 Ų96.855%0.55253%0.525SS*.Hα-helixtrans-65.5-41.4172.5173.30000112.7E198 I200 T205 A206E198-S202 PolarHBondContact O-N 3.4Å; I200-S202 VanDerWaalsContact C-N 3.33Å; I200-S202 PolarHBondContact O-N 3.17Å; S202-T205 WeakPolarHBondContact CA-OG1 3.37Å; S202-T205 PolarHBondContact O-OG1 2.83Å; S202-A206 PolarHBondContact O-N 3.47Å
203G75.4Confident74.6Confident39 Ų3999.7 Ų99.740%0.40254%0.542SS..Hα-helixtrans-67.4-42.5176.900000113.3K199 I200 A206 F207K199-G203 PolarHBondContact O-N 2.03Å; I200-G203 PolarHBondContact O-N 2.95Å; G203-A206 PolarHBondContact O-N 2.84Å; G203-F207 WeakPolarHBondContact O-CB 3.29Å; G203-F207 PolarHBondContact O-N 2.72Å
204A79.8Confident75.8Confident47 Ų47103.6 Ų103.639%0.38855%0.55SS..Hα-helixtrans-66.8-38.9-179.400000112.4I200 F207 L208I200-A204 WeakPolarHBondContact O-CB 3.26Å; I200-A204 PolarHBondContact O-N 3.05Å; A204-F207 PolarHBondContact O-N 2.98Å; A204-L208 WeakPolarHBondContact O-CB 3.2Å; A204-L208 VanDerWaalsContact O-CG 3.31Å; A204-L208 WeakPolarHBondContact O-CG 3.29Å; A204-L208 PolarHBondContact O-N 2.78Å
205T77.3Confident77.5Confident77 Ų77100.8 Ų100.847%0.47254%0.54SS..Hα-helixtrans-65.8-42174.935.90000112L201 S202 F207 L208 L209L201-T205 PolarHBondContact O-N 3.45Å; L201-T205 PolarHBondContact O-OG1 3.28Å; S202-T205 WeakPolarHBondContact CA-OG1 3.37Å; S202-T205 PolarHBondContact O-OG1 2.83Å; T205-F207 PolarHBondContact O-N 2.78Å; T205-L208 PolarHBondContact O-N 3.4Å; T205-L209 WeakPolarHBondContact O-CG 3.16Å; T205-L209 PolarHBondContact O-N 3.49Å; T205-L209 VanDerWaalsContact O-N 3.09Å
206A82.7Confident79.2Confident63 Ų6397.1 Ų97.152%0.52154%0.535SS..Hα-helixtrans-63.5-40.4174.800000112.5S202 G203 L209 G210S202-A206 PolarHBondContact O-N 3.47Å; G203-A206 PolarHBondContact O-N 2.84Å; A206-L209 PolarHBondContact O-N 2.83Å; A206-G210 PolarHBondContact O-N 2.95Å
207F87.1Confident80.7Confident146 Ų14696.6 Ų96.664%0.6454%0.537SS*.Hα-helixtrans-66.9-41.1178.7-169.9-105.2000112.6G203 A204 T205 G210 L211G203-F207 WeakPolarHBondContact O-CB 3.29Å; G203-F207 PolarHBondContact O-N 2.72Å; A204-F207 PolarHBondContact O-N 2.98Å; T205-F207 PolarHBondContact O-N 2.78Å; F207-G210 PolarHBondContact O-N 3.03Å; F207-L211 HydrophobicContact CD1-CD1 3.73Å; F207-L211 HydrophobicContact CD1-CG 4.49Å; F207-L211 HydrophobicContact CE1-CD1 3.37Å; F207-L211 HydrophobicContact CE1-CG 4.17Å; F207-L211 HydrophobicContact CZ-CD1 4.05Å; F207-L211 HydrophobicContact CZ-CG 4.43Å; F207-L211 PolarHBondContact O-N 3.34Å
208L90.5Very high82.2Confident112 Ų11290.2 Ų90.259%0.58652%0.52SS*.Hα-helixtrans-64.3-39.9175.3-74.3168.7000112.2A204 T205 L211 T212A204-L208 WeakPolarHBondContact O-CB 3.2Å; A204-L208 VanDerWaalsContact O-CG 3.31Å; A204-L208 WeakPolarHBondContact O-CG 3.29Å; A204-L208 PolarHBondContact O-N 2.78Å; T205-L208 PolarHBondContact O-N 3.4Å; L208-L211 PolarHBondContact O-N 3.39Å; L208-T212 WeakPolarHBondContact O-CG2 3.37Å; L208-T212 PolarHBondContact O-N 2.91Å; L208-T212 VanDerWaalsContact O-N 3.11Å; L208-T212 PolarHBondContact O-OG1 2.89Å
209L91.4Very high83.6Confident117 Ų11788 Ų8861%0.61352%0.515SS*.Hα-helixtrans-64.4-41173.5-73169.3000111.5T205 A206 T212 V213T205-L209 WeakPolarHBondContact O-CG 3.16Å; T205-L209 PolarHBondContact O-N 3.49Å; T205-L209 VanDerWaalsContact O-N 3.09Å; A206-L209 PolarHBondContact O-N 2.83Å; L209-T212 PolarHBondContact O-N 2.86Å; L209-T212 PolarHBondContact O-OG1 2.84Å; L209-V213 WeakPolarHBondContact O-CG2 3.39Å; L209-V213 PolarHBondContact O-N 3.04Å
210G89.9Confident84.8Confident43 Ų4385.2 Ų85.244%0.44351%0.507SS..Hα-helixtrans-61.7-44.6175.100000113.2A206 F207 T212 V213 F214A206-G210 PolarHBondContact O-N 2.95Å; F207-G210 PolarHBondContact O-N 3.03Å; G210-T212 PolarHBondContact O-N 3.49Å; G210-V213 PolarHBondContact O-N 3.47Å; G210-F214 WeakPolarHBondContact O-CB 3.3Å; G210-F214 PolarHBondContact O-N 2.85Å
211L93.8Very high85.9Confident72 Ų7286 Ų8638%0.37751%0.508SS..Hα-helixtrans-63.8-40.2178.7-86.8167.6000112.9F207 L208 F214 L215F207-L211 HydrophobicContact CD1-CD1 3.73Å; F207-L211 HydrophobicContact CD1-CG 4.49Å; F207-L211 HydrophobicContact CE1-CD1 3.37Å; F207-L211 HydrophobicContact CE1-CG 4.17Å; F207-L211 HydrophobicContact CZ-CD1 4.05Å; F207-L211 HydrophobicContact CZ-CG 4.43Å; F207-L211 PolarHBondContact O-N 3.34Å; L208-L211 PolarHBondContact O-N 3.39Å; L211-F214 PolarHBondContact O-N 3.25Å; L211-L215 WeakPolarHBondContact O-CB 3.42Å; L211-L215 VanDerWaalsContact O-CG 3.28Å; L211-L215 WeakPolarHBondContact O-CG 3.11Å; L211-L215 PolarHBondContact O-N 2.91Å
212T91.4Very high86.7Confident77 Ų7786 Ų8647%0.47251%0.509SS..Hα-helixtrans-66.2-44.1178.750.90000111.4L208 L209 G210 F214 L215 V216L208-T212 WeakPolarHBondContact O-CG2 3.37Å; L208-T212 PolarHBondContact O-N 2.91Å; L208-T212 VanDerWaalsContact O-N 3.11Å; L208-T212 PolarHBondContact O-OG1 2.89Å; L209-T212 PolarHBondContact O-N 2.86Å; L209-T212 PolarHBondContact O-OG1 2.84Å; G210-T212 PolarHBondContact O-N 3.49Å; T212-F214 VanDerWaalsContact C-N 3.35Å; T212-F214 PolarHBondContact O-N 2.98Å; T212-L215 PolarHBondContact O-N 3.41Å; T212-V216 VanDerWaalsContact O-CG2 3.28Å; T212-V216 WeakPolarHBondContact O-CG2 3.35Å; T212-V216 PolarHBondContact O-N 3.27Å
213V91.3Very high87.2Confident109 Ų10989.5 Ų89.566%0.66151%0.514SS*.Hα-helixtrans-61.5-43.2174.8174.10000111.3L209 G210 V216 G217L209-V213 WeakPolarHBondContact O-CG2 3.39Å; L209-V213 PolarHBondContact O-N 3.04Å; G210-V213 PolarHBondContact O-N 3.47Å; V213-V216 PolarHBondContact O-N 2.94Å; V213-G217 PolarHBondContact O-N 3.49Å
214F92.4Very high87.2Confident151 Ų15190.3 Ų90.366%0.66252%0.517SS*.Hα-helixtrans-63.4-46178.4-176.5-97.9000112.4G210 L211 T212 G217 A218G210-F214 WeakPolarHBondContact O-CB 3.3Å; G210-F214 PolarHBondContact O-N 2.85Å; L211-F214 PolarHBondContact O-N 3.25Å; T212-F214 VanDerWaalsContact C-N 3.35Å; T212-F214 PolarHBondContact O-N 2.98Å; F214-G217 PolarHBondContact O-N 3.41Å; F214-A218 WeakPolarHBondContact O-CB 3.34Å; F214-A218 PolarHBondContact O-N 3.19Å
215L91.9Very high87Confident106 Ų10692.8 Ų92.856%0.55552%0.521SS*.Hα-helixtrans-63.3-43178.5-73.9170.3000111.9L211 T212 A218 V219L211-L215 WeakPolarHBondContact O-CB 3.42Å; L211-L215 VanDerWaalsContact O-CG 3.28Å; L211-L215 WeakPolarHBondContact O-CG 3.11Å; L211-L215 PolarHBondContact O-N 2.91Å; T212-L215 PolarHBondContact O-N 3.41Å; L215-A218 PolarHBondContact O-N 3.39Å; L215-V219 WeakPolarHBondContact O-CG2 3.31Å; L215-V219 PolarHBondContact O-N 3.18Å
216V92.8Very high86.7Confident90 Ų9096.1 Ų96.155%0.54553%0.528SS..Hα-helixtrans-62.6-44.9175.3172.40000110.6T212 V213 A218 V219 I220T212-V216 VanDerWaalsContact O-CG2 3.28Å; T212-V216 WeakPolarHBondContact O-CG2 3.35Å; T212-V216 PolarHBondContact O-N 3.27Å; V213-V216 PolarHBondContact O-N 2.94Å; V216-A218 PolarHBondContact O-N 3.31Å; V216-V219 PolarHBondContact O-N 3.04Å; V216-I220 HydrophobicContact CG1-CD1 3.83Å; V216-I220 VanDerWaalsContact O-CG1 3.31Å; V216-I220 WeakPolarHBondContact O-CG1 3.43Å; V216-I220 PolarHBondContact O-N 3.35Å
217G89.5Confident85.7Confident37 Ų3795.6 Ų95.638%0.38152%0.524SS..Hα-helixtrans-59-44.6175.600000112.8V213 F214 V219 I220 H221V213-G217 PolarHBondContact O-N 3.49Å; F214-G217 PolarHBondContact O-N 3.41Å; G217-V219 PolarHBondContact O-N 2.9Å; G217-I220 PolarHBondContact O-N 2.85Å; G217-H221 WeakPolarHBondContact O-CB 3.16Å; G217-H221 PolarHBondContact O-N 3.26Å
218A90.1Very high84.2Confident37 Ų3792.3 Ų92.331%0.30652%0.519SS..Hα-helixtrans-63.2-41.7177.100000112.1F214 L215 V216 H221 L222F214-A218 WeakPolarHBondContact O-CB 3.34Å; F214-A218 PolarHBondContact O-N 3.19Å; L215-A218 PolarHBondContact O-N 3.39Å; V216-A218 PolarHBondContact O-N 3.31Å; A218-H221 PolarHBondContact O-N 2.89Å; A218-L222 WeakPolarHBondContact O-CB 3.34Å; A218-L222 VanDerWaalsContact O-CG 3.25Å; A218-L222 WeakPolarHBondContact O-CG 3.42Å; A218-L222 PolarHBondContact O-N 3.1Å
219V88.1Confident82.6Confident77 Ų7794.9 Ų94.947%0.46753%0.53SS..Hα-helixtrans-63.9-42.8176.1170.70000111.3L215 V216 G217 L222 K223L215-V219 WeakPolarHBondContact O-CG2 3.31Å; L215-V219 PolarHBondContact O-N 3.18Å; V216-V219 PolarHBondContact O-N 3.04Å; G217-V219 PolarHBondContact O-N 2.9Å; V219-L222 PolarHBondContact O-N 2.97Å; V219-K223 HydrophobicContact CG1-CD 4.43Å; V219-K223 WeakPolarHBondContact O-CB 3.46Å; V219-K223 WeakPolarHBondContact O-CG 3.41Å; V219-K223 PolarHBondContact O-N 2.62Å
220I87.4Confident80.9Confident108 Ų10897 Ų9755%0.55454%0.537SS*.Hα-helixtrans-63.1-44.6176.5-67.1167.5000110.3V216 G217 K223 A224V216-I220 HydrophobicContact CG1-CD1 3.83Å; V216-I220 VanDerWaalsContact O-CG1 3.31Å; V216-I220 WeakPolarHBondContact O-CG1 3.43Å; V216-I220 PolarHBondContact O-N 3.35Å; G217-I220 PolarHBondContact O-N 2.85Å; I220-K223 PolarHBondContact O-N 3.43Å; I220-A224 WeakPolarHBondContact O-CB 3.38Å; I220-A224 PolarHBondContact O-N 3.12Å
221H83.8Confident79.1Confident110 Ų110100.2 Ų100.251%0.50955%0.548SS..Hα-helixtrans-63.7-43.7178.7-172.7-83.7000112.4G217 A218 K223 A224 Q225G217-H221 WeakPolarHBondContact O-CB 3.16Å; G217-H221 PolarHBondContact O-N 3.26Å; A218-H221 PolarHBondContact O-N 2.89Å; H221-K223 VanDerWaalsContact C-N 3.34Å; H221-K223 PolarHBondContact O-N 3.35Å; H221-A224 PolarHBondContact O-N 3.15Å; H221-Q225 VanDerWaalsContact CE1-CD 3.47Å; H221-Q225 PolarHBondContact CE1-NE2 2.77Å; H221-Q225 PolarHBondContact O-N 3.04Å
222L83.9Confident76.8Confident109 Ų109105.5 Ų105.557%0.57157%0.571SS**Hα-helixtrans-64.2-38176-72.8169.3000111.8A218 V219 K226A218-L222 WeakPolarHBondContact O-CB 3.34Å; A218-L222 VanDerWaalsContact O-CG 3.25Å; A218-L222 WeakPolarHBondContact O-CG 3.42Å; A218-L222 PolarHBondContact O-N 3.1Å; V219-L222 PolarHBondContact O-N 2.97Å; L222-K226 WeakPolarHBondContact O-CB 3.43Å; L222-K226 PolarHBondContact O-N 2.8Å
223K80.1Confident74.9Confident152 Ų152107.1 Ų107.166%0.66158%0.583SS**Hα-helixtrans-65.5-39.2172.6-76.8-175.2176.6-174.50112.1V219 I220 H221 K226 A227V219-K223 HydrophobicContact CG1-CD 4.43Å; V219-K223 WeakPolarHBondContact O-CB 3.46Å; V219-K223 WeakPolarHBondContact O-CG 3.41Å; V219-K223 PolarHBondContact O-N 2.62Å; I220-K223 PolarHBondContact O-N 3.43Å; H221-K223 VanDerWaalsContact C-N 3.34Å; H221-K223 PolarHBondContact O-N 3.35Å; K223-K226 PolarHBondContact O-N 3.1Å; K223-A227 PolarHBondContact O-N 3.28Å
224A76.8Confident72.4Confident57 Ų57105.9 Ų105.947%0.47159%0.592SS.*Hα-helixtrans-67.4-41.417700000112.5I220 H221 K226 A227 S228I220-A224 WeakPolarHBondContact O-CB 3.38Å; I220-A224 PolarHBondContact O-N 3.12Å; H221-A224 PolarHBondContact O-N 3.15Å; A224-K226 VanDerWaalsContact C-N 3.33Å; A224-A227 PolarHBondContact O-N 3Å; A224-S228 PolarHBondContact O-N 3Å
225Q75.3Confident70.1Confident99 Ų99106.2 Ų106.246%0.46360%0.601SS.*Hα-helixtrans-63.2-39.6173-76.5-170.9-35.800112H221 A227 S228 M229H221-Q225 VanDerWaalsContact CE1-CD 3.47Å; H221-Q225 PolarHBondContact CE1-NE2 2.77Å; H221-Q225 PolarHBondContact O-N 3.04Å; Q225-A227 VanDerWaalsContact C-N 3.34Å; Q225-A227 PolarHBondContact O-N 3.34Å; Q225-S228 PolarHBondContact O-N 2.79Å; Q225-S228 PolarHBondContact O-OG 3.39Å; Q225-M229 WeakPolarHBondContact O-CG 3.31Å; Q225-M229 PolarHBondContact O-N 2.91Å
226K71.1Confident67.5Low147 Ų147114.1 Ų114.164%0.63964%0.635SS**Hα-helixtrans-64.5-39.3176.2-161.5174.2-176.8-1780112L222 K223 A224 M229 E230L222-K226 WeakPolarHBondContact O-CB 3.43Å; L222-K226 PolarHBondContact O-N 2.8Å; K223-K226 PolarHBondContact O-N 3.1Å; A224-K226 VanDerWaalsContact C-N 3.33Å; K226-M229 PolarHBondContact O-N 3.32Å; K226-E230 PolarHBondContact O-N 3.37Å
227A60.2Low66.2Low51 Ų51115.3 Ų115.342%0.42164%0.639SS.*Hα-helixtrans-68.5-33.2174.500000113.1K223 A224 Q225 E230 T231K223-A227 PolarHBondContact O-N 3.28Å; A224-A227 PolarHBondContact O-N 3Å; Q225-A227 VanDerWaalsContact C-N 3.34Å; Q225-A227 PolarHBondContact O-N 3.34Å; A227-E230 PolarHBondContact O-N 3.35Å; A227-T231 PolarHBondContact O-N 3.08Å; A227-T231 PolarHBondContact O-OG1 3.38Å
228S57Low65Low77 Ų77119.4 Ų119.454%0.53865%0.653SS.*Hα-helixtrans-75-29.5175.4990000112.7A224 Q225 E230 T231A224-S228 PolarHBondContact O-N 3Å; Q225-S228 PolarHBondContact O-N 2.79Å; Q225-S228 PolarHBondContact O-OG 3.39Å; S228-E230 VanDerWaalsContact C-N 3.33Å; S228-T231 PolarHBondContact O-N 3.18Å
229M55.7Low63.6Low166 Ų166124 Ų12482%0.81867%0.672SS**Hα-helixtrans-71.7-24.7172.8-76.2176.171.400113.1Q225 K226 T231Q225-M229 WeakPolarHBondContact O-CG 3.31Å; Q225-M229 PolarHBondContact O-N 2.91Å; K226-M229 PolarHBondContact O-N 3.32Å; M229-T231 VanDerWaalsContact C-N 3.33Å
230E55.5Low62.1Low161 Ų161126.8 Ų126.875%0.75268%0.684SS**THydrogen-bonded Turntrans-83.1-6.5171.8-83.3175.2166.400113.3K226 A227 S228K226-E230 PolarHBondContact O-N 3.37Å; A227-E230 PolarHBondContact O-N 3.35Å; S228-E230 VanDerWaalsContact C-N 3.33Å
231T53.3Low60.5Low112 Ų112127.9 Ų127.969%0.68769%0.692SS**  trans-124.363.6-176-33.30000112.4A227 S228 M229A227-T231 PolarHBondContact O-N 3.08Å; A227-T231 PolarHBondContact O-OG1 3.38Å; S228-T231 PolarHBondContact O-N 3.18Å; M229-T231 VanDerWaalsContact C-N 3.33Å
232Q44.4Very low59Low182 Ų182129.1 Ų129.185%0.8570%0.704SS**SBendtrans-147.2137.1152.7-146.7149-20.300111
233P53Low57.2Low111 Ų111130.6 Ų130.672%0.72171%0.714SS**  trans-92.4147-14936.3-33.3000113.1
234G38.5Very low55.5Low83 Ų83128.9 Ų128.986%0.85672%0.718SS**  trans-88.511316200000110.4
235N42.8Very low53.7Low158 Ų158134.9 Ų134.985%0.84574%0.738SS**  trans-76.9125.1159.8-90.9-9.6000109.2
236E37.4Very low51.7Low272 Ų272138.2 Ų138.2100%1.27176%0.764SS**  -173.50124-105.6-175.9144.800109.6

Retrieved 236 of 236 residues in 233.4 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).