A0A077ZLR4_TRITR Loading...

Phe ZIP domain containing protein

AlphaFold DB , UniProt , Accession A0A077ZLR4, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 200 aa.

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

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
1M44.2Very low48.1Very low242 Ų242163.4 Ų163.4100%1.19288%0.881SS**  0140.80-88.2-179.9161.800108.2
2L52.6Low48Very low174 Ų174156.2 Ų156.291%0.91187%0.874SS**  trans84.180.8-176.9-52.8175.6000116
3S41.9Very low48.6Very low124 Ų124158.4 Ų158.487%0.86787%0.868SS**  trans-69.3137.1155.6-610000110
4V54.4Low49.3Very low141 Ų141155.6 Ų155.686%0.85585%0.852SS**  trans-121.8120.9159.7-85.30000109.4
5N52.4Low49.8Very low164 Ų164151.8 Ų151.888%0.87784%0.841SS**  trans-75.6125.7-168.8-163.39.1000110.2G7N5-G7 PolarHBondContact O-N 3.46Å
6V50.6Low50.3Low129 Ų129147 Ų14778%0.78283%0.827SS**  trans-74.2114.2175.6177.30000108.1S8V6-S8 PolarHBondContact O-N 3.2Å
7G46.3Very low50.9Low81 Ų81147.2 Ų147.284%0.83582%0.817SS**  trans-61.197.6176.100000112N5N5-G7 PolarHBondContact O-N 3.46Å
8S42.3Very low51.6Low113 Ų113143.1 Ų143.179%0.7980%0.8SS**  trans-91.4100.4158.9-178.70000107.8V6V6-S8 PolarHBondContact O-N 3.2Å
9L48.5Very low52.6Low143 Ų143139.5 Ų139.575%0.74979%0.786SS**  trans-162.5131.3157.3-141.365000112.5
10R47.7Very low53.7Low230 Ų230135.5 Ų135.587%0.86877%0.767SS**  trans83.774.7160.1-45.2-167.7-171.1-173.13.4116.8
11R48.2Very low55Low256 Ų256132.3 Ų132.397%0.96675%0.75SS**  trans-125.797.1151.2-136.1-175.7-84.6-141.3-0.8107
12G47.3Very low57.3Low77 Ų77123.3 Ų123.379%0.79472%0.715SS**SBendtrans149.361.3176.300000116.9
13K55.3Low59.2Low185 Ų185123 Ų12380%0.80470%0.701SS**SBendtrans-158.217156.3-152.1161175.51710115.5
14D58.5Low61.7Low119 Ų119122.2 Ų122.264%0.63668%0.684SS**  trans-110.1-8.6-169.7-58.3-43.3000115.1A16 K17 S18D14-A16 PolarHBondContact O-N 3.41Å; D14-K17 PolarHBondContact O-N 3.19Å; D14-S18 PolarHBondContact O-N 2.98Å
15S57.4Low63.7Low99 Ų99121.4 Ų121.469%0.69267%0.671SS**Hα-helixtrans-71.6-30.1-173.854.90000114.9S18S15-S18 PolarHBondContact O-OG 2.87Å
16A56.9Low65.7Low75 Ų75119.2 Ų119.262%0.6265%0.654SS**Hα-helixtrans-76.5-29178.200000112.6D14 S19D14-A16 PolarHBondContact O-N 3.41Å; A16-S19 PolarHBondContact O-OG 3.29Å; A16-S19 VanDerWaalsContact O-OG 3.07Å
17K60Low67.9Low151 Ų151115 Ų11566%0.65763%0.63SS**Hα-helixtrans-73-37.9176.4-70.2-177.8177.7-179.10111.2D14 S19 S20 V21D14-K17 PolarHBondContact O-N 3.19Å; K17-S19 VanDerWaalsContact C-N 3.3Å; K17-S19 PolarHBondContact O-N 3.23Å; K17-S20 PolarHBondContact O-N 3.41Å; K17-V21 VanDerWaalsContact O-CG2 3.3Å; K17-V21 WeakPolarHBondContact O-CG2 3.43Å; K17-V21 PolarHBondContact O-N 3.35Å; K17-V21 VanDerWaalsContact O-N 3.13Å
18S63.6Low70.3Confident73 Ų73115.6 Ų115.651%0.5161%0.614SS.*Hα-helixtrans-64.1-32.9-179.660.10000113.2D14 S15 A22D14-S18 PolarHBondContact O-N 2.98Å; S15-S18 PolarHBondContact O-OG 2.87Å; S18-A22 WeakPolarHBondContact O-CB 3.45Å; S18-A22 PolarHBondContact O-N 3.05Å
19S71.4Confident73Confident75 Ų75114 Ų11452%0.52460%0.602SS.*Hα-helixtrans-73.6-36.9178.458.70000113.1A16 K17 A22 W23A16-S19 PolarHBondContact O-OG 3.29Å; A16-S19 VanDerWaalsContact O-OG 3.07Å; K17-S19 VanDerWaalsContact C-N 3.3Å; K17-S19 PolarHBondContact O-N 3.23Å; S19-A22 PolarHBondContact O-N 3.35Å; S19-W23 PolarHBondContact O-N 3.3Å
20S75.2Confident75.3Confident58 Ų58110 Ų11041%0.40659%0.586SS.*Hα-helixtrans-64.8-46.3175.5-161.30000110.4K17 A22 W23 E24K17-S20 PolarHBondContact O-N 3.41Å; S20-A22 VanDerWaalsContact C-N 3.32Å; S20-A22 PolarHBondContact O-N 2.93Å; S20-W23 PolarHBondContact O-N 3.18Å; S20-E24 WeakPolarHBondContact O-CG 3.35Å; S20-E24 PolarHBondContact O-N 2.92Å; S20-E24 PolarHBondContact OG-OE1 3.04Å; S20-E24 VanDerWaalsContact OG-OE1 3.08Å
21V80.6Confident77.6Confident70 Ų70101.8 Ų101.842%0.42457%0.567SS.*Hα-helixtrans-59.5-43.7177174.70000110.8K17 W23 E24 E25K17-V21 VanDerWaalsContact O-CG2 3.3Å; K17-V21 WeakPolarHBondContact O-CG2 3.43Å; K17-V21 PolarHBondContact O-N 3.35Å; K17-V21 VanDerWaalsContact O-N 3.13Å; V21-W23 PolarHBondContact O-N 3.37Å; V21-E24 PolarHBondContact O-N 3.03Å; V21-E25 HydrophobicContact CG1-CG 4.28Å; V21-E25 WeakPolarHBondContact CG1-OE1 3.34Å; V21-E25 WeakPolarHBondContact O-CB 3.46Å; V21-E25 VanDerWaalsContact O-CG 3.27Å; V21-E25 WeakPolarHBondContact O-CG 3.39Å; V21-E25 PolarHBondContact O-N 3.39Å
22A91.3Very high80Confident53 Ų5396.9 Ų96.944%0.43855%0.553SS.*Hα-helixtrans-64.6-35.9177.800000113.5S18 S19 S20 F26S18-A22 WeakPolarHBondContact O-CB 3.45Å; S18-A22 PolarHBondContact O-N 3.05Å; S19-A22 PolarHBondContact O-N 3.35Å; S20-A22 VanDerWaalsContact C-N 3.32Å; S20-A22 PolarHBondContact O-N 2.93Å; A22-F26 WeakPolarHBondContact O-CB 3.05Å; A22-F26 PolarHBondContact O-N 2.85Å
23W93.6Very high82.4Confident167 Ų167100.1 Ų100.163%0.63355%0.545SS*.Hα-helixtrans-69-44.6176.5170.6-111.6000111.8S19 S20 V21 F26 C27S19-W23 PolarHBondContact O-N 3.3Å; S20-W23 PolarHBondContact O-N 3.18Å; V21-W23 PolarHBondContact O-N 3.37Å; W23-F26 AromaticContact CE3-CD1 3.84Å; W23-F26 HydrophobicContact CE3-CD1 3.84Å; W23-F26 HydrophobicContact CE3-CE1 4.46Å; W23-F26 HydrophobicContact CH2-CD1 4.4Å; W23-F26 HydrophobicContact CH2-CE1 4.38Å; W23-F26 AromaticContact CZ3-CD1 3.58Å; W23-F26 HydrophobicContact CZ3-CD1 3.58Å; W23-F26 AromaticContact CZ3-CE1 3.76Å; W23-F26 HydrophobicContact CZ3-CE1 3.76Å; W23-F26 PolarHBondContact O-N 2.95Å; W23-C27 WeakPolarHBondContact CZ2-SG 3.45Å; W23-C27 PolarHBondContact O-N 2.94Å; W23-C27 PolarHBondContact O-SG 3.22Å
24E94.5Very high84.4Confident107 Ų10792.5 Ų92.550%0.552%0.517SS..Hα-helixtrans-62.8-46.4176.5-71.4166.9-145.900111.2S20 V21 F26 C27 D28S20-E24 WeakPolarHBondContact O-CG 3.35Å; S20-E24 PolarHBondContact O-N 2.92Å; S20-E24 PolarHBondContact OG-OE1 3.04Å; S20-E24 VanDerWaalsContact OG-OE1 3.08Å; V21-E24 PolarHBondContact O-N 3.03Å; E24-F26 VanDerWaalsContact C-N 3.32Å; E24-F26 PolarHBondContact O-N 2.99Å; E24-C27 PolarHBondContact O-N 2.91Å; E24-C27 VanDerWaalsContact O-N 3.16Å; E24-D28 WeakPolarHBondContact O-CB 3.27Å; E24-D28 PolarHBondContact O-N 2.94Å
25E95.9Very high86.3Confident125 Ų12589.5 Ų89.558%0.58451%0.508SS*.Hα-helixtrans-60.5-39.4175.9-74.9177-178.800112.7V21 S29V21-E25 HydrophobicContact CG1-CG 4.28Å; V21-E25 WeakPolarHBondContact CG1-OE1 3.34Å; V21-E25 WeakPolarHBondContact O-CB 3.46Å; V21-E25 VanDerWaalsContact O-CG 3.27Å; V21-E25 WeakPolarHBondContact O-CG 3.39Å; V21-E25 PolarHBondContact O-N 3.39Å; E25-S29 WeakPolarHBondContact O-CB 3.41Å; E25-S29 PolarHBondContact O-N 3.34Å
26F95.4Very high88.3Confident117 Ų11792 Ų9251%0.51350%0.504SS..Hα-helixtrans-61.9-48.8173.8168.2-100.7000111.1A22 W23 E24 D28 S29 C30A22-F26 WeakPolarHBondContact O-CB 3.05Å; A22-F26 PolarHBondContact O-N 2.85Å; W23-F26 AromaticContact CE3-CD1 3.84Å; W23-F26 HydrophobicContact CE3-CD1 3.84Å; W23-F26 HydrophobicContact CE3-CE1 4.46Å; W23-F26 HydrophobicContact CH2-CD1 4.4Å; W23-F26 HydrophobicContact CH2-CE1 4.38Å; W23-F26 AromaticContact CZ3-CD1 3.58Å; W23-F26 HydrophobicContact CZ3-CD1 3.58Å; W23-F26 AromaticContact CZ3-CE1 3.76Å; W23-F26 HydrophobicContact CZ3-CE1 3.76Å; W23-F26 PolarHBondContact O-N 2.95Å; E24-F26 VanDerWaalsContact C-N 3.32Å; E24-F26 PolarHBondContact O-N 2.99Å; F26-D28 VanDerWaalsContact C-N 3.35Å; F26-D28 PolarHBondContact O-N 3.18Å; F26-S29 PolarHBondContact O-N 2.95Å; F26-C30 PolarHBondContact O-N 3.49Å; F26-C30 PolarHBondContact O-SG 3.1Å
27C96.9Very high90.2Very high42 Ų4292.8 Ų92.828%0.28450%0.497SS..Hα-helixtrans-61-44.6178.4-67.40000111.4W23 E24 S29 C30 A31W23-C27 WeakPolarHBondContact CZ2-SG 3.45Å; W23-C27 PolarHBondContact O-N 2.94Å; W23-C27 PolarHBondContact O-SG 3.22Å; E24-C27 PolarHBondContact O-N 2.91Å; E24-C27 VanDerWaalsContact O-N 3.16Å; C27-S29 PolarHBondContact O-N 3.49Å; C27-C30 PolarHBondContact O-N 3.22Å; C27-A31 VanDerWaalsContact O-CB 3.29Å; C27-A31 WeakPolarHBondContact O-CB 3.09Å; C27-A31 PolarHBondContact O-N 3.26Å
28D96.7Very high92Very high93 Ų9388.2 Ų88.250%0.49748%0.478SS..Hα-helixtrans-61.3-42.1177.2-83.6-1.3000112.2E24 F26 A31 K32E24-D28 WeakPolarHBondContact O-CB 3.27Å; E24-D28 PolarHBondContact O-N 2.94Å; F26-D28 VanDerWaalsContact C-N 3.35Å; F26-D28 PolarHBondContact O-N 3.18Å; D28-A31 PolarHBondContact O-N 3.07Å; D28-K32 WeakPolarHBondContact O-CB 3.39Å; D28-K32 VanDerWaalsContact O-CG 3.24Å; D28-K32 WeakPolarHBondContact O-CG 3.44Å; D28-K32 PolarHBondContact O-N 3.48Å
29S97.3Very high93.7Very high79 Ų7987.2 Ų87.255%0.55247%0.474SS*.Hα-helixtrans-63.5-45.2177.1-173.80000111.4E25 F26 C27 K32 F33E25-S29 WeakPolarHBondContact O-CB 3.41Å; E25-S29 PolarHBondContact O-N 3.34Å; F26-S29 PolarHBondContact O-N 2.95Å; C27-S29 PolarHBondContact O-N 3.49Å; S29-K32 PolarHBondContact O-N 2.82Å; S29-F33 PolarHBondContact O-N 3.08Å; S29-F33 VanDerWaalsContact O-N 3.1Å
30C97.1Very high94.9Very high60 Ų6087.9 Ų87.941%0.40547%0.469SS..Hα-helixtrans-64.2-42.8175.5-71.10000112.3F26 C27 F33 A34F26-C30 PolarHBondContact O-N 3.49Å; F26-C30 PolarHBondContact O-SG 3.1Å; C27-C30 PolarHBondContact O-N 3.22Å; C30-F33 PolarHBondContact O-N 3.06Å; C30-A34 WeakPolarHBondContact O-CB 3.44Å; C30-A34 PolarHBondContact O-N 3.45Å
31A97.4Very high96Very high57 Ų5788 Ų8847%0.47147%0.47SS..Hα-helixtrans-63.2-42.9178.200000111.5C27 D28 F33 A34 A35C27-A31 VanDerWaalsContact O-CB 3.29Å; C27-A31 WeakPolarHBondContact O-CB 3.09Å; C27-A31 PolarHBondContact O-N 3.26Å; D28-A31 PolarHBondContact O-N 3.07Å; A31-F33 VanDerWaalsContact C-N 3.34Å; A31-F33 PolarHBondContact O-N 3.39Å; A31-A34 PolarHBondContact O-N 2.95Å; A31-A35 VanDerWaalsContact O-CB 3.27Å; A31-A35 WeakPolarHBondContact O-CB 3.27Å; A31-A35 PolarHBondContact O-N 2.98Å
32K98Very high96.7Very high152 Ų15287.1 Ų87.166%0.66146%0.459SS*.Hα-helixtrans-59.4-44.1174.3-76.8168.8-175.9165.40112D28 S29 Y36D28-K32 WeakPolarHBondContact O-CB 3.39Å; D28-K32 VanDerWaalsContact O-CG 3.24Å; D28-K32 WeakPolarHBondContact O-CG 3.44Å; D28-K32 PolarHBondContact O-N 3.48Å; S29-K32 PolarHBondContact O-N 2.82Å; K32-Y36 WeakPolarHBondContact O-CB 3.46Å; K32-Y36 PolarHBondContact O-N 3.34Å
33F98Very high96.9Very high146 Ų14690.1 Ų90.164%0.6446%0.464SS*.Hα-helixtrans-65.3-47.6178-177.3-96.6000111.8S29 C30 A31 A35 Y36 D37S29-F33 PolarHBondContact O-N 3.08Å; S29-F33 VanDerWaalsContact O-N 3.1Å; C30-F33 PolarHBondContact O-N 3.06Å; A31-F33 VanDerWaalsContact C-N 3.34Å; A31-F33 PolarHBondContact O-N 3.39Å; F33-A35 VanDerWaalsContact C-N 3.34Å; F33-A35 PolarHBondContact O-N 3.43Å; F33-Y36 PolarHBondContact O-N 3.27Å; F33-D37 WeakPolarHBondContact O-CB 3.25Å; F33-D37 PolarHBondContact O-N 2.94Å
34A97.6Very high97.1Very high24 Ų2486.4 Ų86.420%0.19846%0.456CS..Hα-helixtrans-62.1-40.1178.200000112.4C30 A31 D37 F38C30-A34 WeakPolarHBondContact O-CB 3.44Å; C30-A34 PolarHBondContact O-N 3.45Å; A31-A34 PolarHBondContact O-N 2.95Å; A34-D37 PolarHBondContact O-N 3.44Å; A34-F38 VanDerWaalsContact O-CB 3.27Å; A34-F38 WeakPolarHBondContact O-CB 3.27Å; A34-F38 PolarHBondContact O-N 3.44Å
35A98Very high97.2Very high56 Ų5686.5 Ų86.546%0.46345%0.453SS..Hα-helixtrans-64.5-42.5176.100000112A31 F33 A39A31-A35 VanDerWaalsContact O-CB 3.27Å; A31-A35 WeakPolarHBondContact O-CB 3.27Å; A31-A35 PolarHBondContact O-N 2.98Å; F33-A35 VanDerWaalsContact C-N 3.34Å; F33-A35 PolarHBondContact O-N 3.43Å; A35-A39 VanDerWaalsContact O-CB 3.25Å; A35-A39 WeakPolarHBondContact O-CB 3.49Å; A35-A39 PolarHBondContact O-N 3.5Å
36Y98.3Very high97.2Very high152 Ų15282 Ų8260%0.59643%0.433SS*.Hα-helixtrans-62.8-48.1176.3176.6-95.5000111.9K32 F33 A39 Q40K32-Y36 WeakPolarHBondContact O-CB 3.46Å; K32-Y36 PolarHBondContact O-N 3.34Å; F33-Y36 PolarHBondContact O-N 3.27Å; Y36-A39 PolarHBondContact O-N 3.05Å; Y36-Q40 HydrophobicContact CE1-CG 4.09Å; Y36-Q40 HydrophobicContact CE2-CG 4.44Å; Y36-Q40 WeakPolarHBondContact O-CG 3.29Å; Y36-Q40 PolarHBondContact O-N 3.07Å; Y36-Q40 VanDerWaalsContact O-N 3.07Å
37D98Very high97.2Very high91 Ų9180 Ų8049%0.48744%0.438SS..Hα-helixtrans-62.5-43.6179.9-172.863.6000112.1F33 A34 Q40 S41F33-D37 WeakPolarHBondContact O-CB 3.25Å; F33-D37 PolarHBondContact O-N 2.94Å; A34-D37 PolarHBondContact O-N 3.44Å; D37-Q40 PolarHBondContact O-N 2.87Å; D37-S41 PolarHBondContact O-N 3.04Å; D37-S41 PolarHBondContact O-OG 3.42Å; D37-S41 VanDerWaalsContact O-OG 3.08Å
38F97.9Very high97.2Very high55 Ų5585.4 Ų85.424%0.24146%0.459CS..Hα-helixtrans-66.4-40.7176.6-177.9-118000112.3A34 Q40 S41 W42 V61 F65A34-F38 VanDerWaalsContact O-CB 3.27Å; A34-F38 WeakPolarHBondContact O-CB 3.27Å; A34-F38 PolarHBondContact O-N 3.44Å; F38-Q40 VanDerWaalsContact C-N 3.33Å; F38-Q40 PolarHBondContact O-N 3.21Å; F38-S41 PolarHBondContact O-N 3.2Å; F38-W42 WeakPolarHBondContact O-CB 3.47Å; F38-W42 PolarHBondContact O-N 3.46Å; F38-V61 HydrophobicContact CE1-CG1 3.72Å; F38-V61 HydrophobicContact CZ-CG1 3.56Å; F38-F65 HydrophobicContact CB-CD2 4.29Å; F38-F65 HydrophobicContact CB-CE1 4.43Å; F38-F65 HydrophobicContact CB-CE2 3.91Å; F38-F65 HydrophobicContact CB-CZ 3.99Å; F38-F65 HydrophobicContact CD1-CB 4.01Å; F38-F65 HydrophobicContact CD1-CD1 4.01Å; F38-F65 AromaticContact CD1-CD2 3.83Å; F38-F65 HydrophobicContact CD1-CD2 3.83Å; F38-F65 HydrophobicContact CD1-CE1 4.46Å; F38-F65 HydrophobicContact CD1-CE2 4.29Å; F38-F65 AromaticContact CD1-CG 3.66Å; F38-F65 HydrophobicContact CD1-CG 3.66Å; F38-F65 AromaticContact CD2-CD2 3.35Å; F38-F65 HydrophobicContact CD2-CD2 3.35Å; F38-F65 AromaticContact CD2-CE2 3.6Å; F38-F65 HydrophobicContact CD2-CE2 3.6Å; F38-F65 HydrophobicContact CD2-CG 4.06Å; F38-F65 HydrophobicContact CD2-CZ 4.48Å; F38-F65 HydrophobicContact CE1-CB 3.45Å; F38-F65 VanDerWaalsContact CE1-CB 3.45Å; F38-F65 HydrophobicContact CE1-CD1 4.32Å; F38-F65 AromaticContact CE1-CD2 3.94Å; F38-F65 HydrophobicContact CE1-CD2 3.94Å; F38-F65 AromaticContact CE1-CG 3.64Å; F38-F65 HydrophobicContact CE1-CG 3.64Å; F38-F65 HydrophobicContact CE2-CB 4.15Å; F38-F65 AromaticContact CE2-CD2 3.49Å; F38-F65 HydrophobicContact CE2-CD2 3.49Å; F38-F65 VanDerWaalsContact CE2-CD2 3.49Å; F38-F65 HydrophobicContact CE2-CE2 4.21Å; F38-F65 HydrophobicContact CE2-CG 4.05Å; F38-F65 HydrophobicContact CG-CD1 4.3Å; F38-F65 AromaticContact CG-CD2 3.53Å; F38-F65 HydrophobicContact CG-CD2 3.53Å; F38-F65 HydrophobicContact CG-CE1 4.41Å; F38-F65 AromaticContact CG-CE2 3.66Å; F38-F65 HydrophobicContact CG-CE2 3.66Å; F38-F65 AromaticContact CG-CG 3.87Å; F38-F65 HydrophobicContact CG-CG 3.87Å; F38-F65 HydrophobicContact CG-CZ 4.11Å; F38-F65 HydrophobicContact CZ-CB 3.54Å; F38-F65 AromaticContact CZ-CD2 3.8Å; F38-F65 HydrophobicContact CZ-CD2 3.8Å; F38-F65 AromaticContact CZ-CG 3.86Å; F38-F65 HydrophobicContact CZ-CG 3.86Å
39A97.6Very high97.1Very high53 Ų5383.7 Ų83.744%0.43845%0.45SS..Hα-helixtrans-62.9-38.3176.800000112.5A35 Y36 W42 H43A35-A39 VanDerWaalsContact O-CB 3.25Å; A35-A39 WeakPolarHBondContact O-CB 3.49Å; A35-A39 PolarHBondContact O-N 3.5Å; Y36-A39 PolarHBondContact O-N 3.05Å; A39-W42 PolarHBondContact O-N 3.41Å; A39-H43 WeakPolarHBondContact O-CB 3.4Å; A39-H43 PolarHBondContact O-N 2.93Å
40Q98Very high96.9Very high88 Ų8883.9 Ų83.941%0.41145%0.449SS..Hα-helixtrans-64.5-44.3173.4-70.6-63.3-43.700111.6Y36 D37 F38 W42 H43 N44Y36-Q40 HydrophobicContact CE1-CG 4.09Å; Y36-Q40 HydrophobicContact CE2-CG 4.44Å; Y36-Q40 WeakPolarHBondContact O-CG 3.29Å; Y36-Q40 PolarHBondContact O-N 3.07Å; Y36-Q40 VanDerWaalsContact O-N 3.07Å; D37-Q40 PolarHBondContact O-N 2.87Å; F38-Q40 VanDerWaalsContact C-N 3.33Å; F38-Q40 PolarHBondContact O-N 3.21Å; Q40-W42 VanDerWaalsContact C-N 3.35Å; Q40-W42 PolarHBondContact O-N 3.28Å; Q40-H43 PolarHBondContact O-N 3.5Å; Q40-N44 VanDerWaalsContact O-CG 3.28Å; Q40-N44 PolarHBondContact O-N 3.28Å; Q40-N44 PolarHBondContact O-ND2 2.94Å
41S97.2Very high96.7Very high62 Ų6285.8 Ų85.843%0.43446%0.459SS..Hα-helixtrans-63.1-41177-61.20000112D37 F38 N44 Y45D37-S41 PolarHBondContact O-N 3.04Å; D37-S41 PolarHBondContact O-OG 3.42Å; D37-S41 VanDerWaalsContact O-OG 3.08Å; F38-S41 PolarHBondContact O-N 3.2Å; S41-N44 PolarHBondContact O-N 2.9Å; S41-Y45 PolarHBondContact O-N 3.46Å
42W95.9Very high96.5Very high50 Ų5083.5 Ų83.519%0.18944%0.44CS..Hα-helixtrans-63.1-44.9174.6173.6-120.1000112.2F38 A39 Q40 N44 Y45 L46 V61F38-W42 WeakPolarHBondContact O-CB 3.47Å; F38-W42 PolarHBondContact O-N 3.46Å; A39-W42 PolarHBondContact O-N 3.41Å; Q40-W42 VanDerWaalsContact C-N 3.35Å; Q40-W42 PolarHBondContact O-N 3.28Å; W42-N44 VanDerWaalsContact C-N 3.31Å; W42-N44 PolarHBondContact O-N 2.87Å; W42-Y45 AromaticContact CE3-CD1 3.63Å; W42-Y45 HydrophobicContact CE3-CD1 3.63Å; W42-Y45 HydrophobicContact CE3-CE1 4.33Å; W42-Y45 HydrophobicContact CE3-CG 4.31Å; W42-Y45 HydrophobicContact CH2-CD1 4.08Å; W42-Y45 HydrophobicContact CH2-CE1 4.13Å; W42-Y45 AromaticContact CZ3-CD1 3.25Å; W42-Y45 HydrophobicContact CZ3-CD1 3.25Å; W42-Y45 AromaticContact CZ3-CE1 3.51Å; W42-Y45 HydrophobicContact CZ3-CE1 3.51Å; W42-Y45 HydrophobicContact CZ3-CG 4.27Å; W42-Y45 WeakPolarHBondContact O-CB 3.49Å; W42-Y45 PolarHBondContact O-N 3.46Å; W42-L46 HydrophobicContact CD2-CD1 4.31Å; W42-L46 HydrophobicContact CD2-CG 4.1Å; W42-L46 HydrophobicContact CE3-CG 4.47Å; W42-L46 HydrophobicContact CH2-CD2 3.58Å; W42-L46 HydrophobicContact CH2-CG 4.11Å; W42-L46 HydrophobicContact CZ2-CD1 3.75Å; W42-L46 HydrophobicContact CZ2-CD2 3.45Å; W42-L46 VanDerWaalsContact CZ2-CD2 3.45Å; W42-L46 HydrophobicContact CZ2-CG 3.69Å; W42-L46 HydrophobicContact CZ3-CD2 4.23Å; W42-L46 HydrophobicContact CZ3-CG 4.48Å; W42-L46 PolarHBondContact O-N 3.1Å; W42-V61 HydrophobicContact CD2-CG1 4.02Å; W42-V61 HydrophobicContact CD2-CG2 4.43Å; W42-V61 HydrophobicContact CE3-CG1 4.04Å; W42-V61 HydrophobicContact CE3-CG2 4.44Å; W42-V61 HydrophobicContact CG-CG1 4.42Å; W42-V61 HydrophobicContact CH2-CG2 3.73Å; W42-V61 HydrophobicContact CZ2-CG2 3.69Å; W42-V61 HydrophobicContact CZ3-CG1 4.39Å; W42-V61 HydrophobicContact CZ3-CG2 4.1Å
43H95.9Very high96.1Very high116 Ų11680.5 Ų80.554%0.53743%0.43SS..Hα-helixtrans-58.3-43.3175.4175.8-86.2000111.8A39 Q40 L46 A47A39-H43 WeakPolarHBondContact O-CB 3.4Å; A39-H43 PolarHBondContact O-N 2.93Å; Q40-H43 PolarHBondContact O-N 3.5Å; H43-L46 PolarHBondContact O-N 3.4Å; H43-A47 PolarHBondContact O-N 2.99Å
44N96.9Very high95.6Very high89 Ų8981 Ų8148%0.47644%0.44SS..Hα-helixtrans-65.3-41.5176.2-65.3-21.1000111.8Q40 S41 W42 L46 A47 E48Q40-N44 VanDerWaalsContact O-CG 3.28Å; Q40-N44 PolarHBondContact O-N 3.28Å; Q40-N44 PolarHBondContact O-ND2 2.94Å; S41-N44 PolarHBondContact O-N 2.9Å; W42-N44 VanDerWaalsContact C-N 3.31Å; W42-N44 PolarHBondContact O-N 2.87Å; N44-L46 VanDerWaalsContact C-N 3.32Å; N44-L46 PolarHBondContact O-N 3.39Å; N44-A47 WeakPolarHBondContact O-CB 3.48Å; N44-A47 PolarHBondContact O-N 3.29Å; N44-E48 PolarHBondContact O-N 2.93Å
45Y97Very high95.4Very high110 Ų11087 Ų8743%0.43146%0.461SS..Hα-helixtrans-58.9-42174.4173.1-91.9000112.3S41 W42 E48 N49 A52S41-Y45 PolarHBondContact O-N 3.46Å; W42-Y45 AromaticContact CE3-CD1 3.63Å; W42-Y45 HydrophobicContact CE3-CD1 3.63Å; W42-Y45 HydrophobicContact CE3-CE1 4.33Å; W42-Y45 HydrophobicContact CE3-CG 4.31Å; W42-Y45 HydrophobicContact CH2-CD1 4.08Å; W42-Y45 HydrophobicContact CH2-CE1 4.13Å; W42-Y45 AromaticContact CZ3-CD1 3.25Å; W42-Y45 HydrophobicContact CZ3-CD1 3.25Å; W42-Y45 AromaticContact CZ3-CE1 3.51Å; W42-Y45 HydrophobicContact CZ3-CE1 3.51Å; W42-Y45 HydrophobicContact CZ3-CG 4.27Å; W42-Y45 WeakPolarHBondContact O-CB 3.49Å; W42-Y45 PolarHBondContact O-N 3.46Å; Y45-E48 PolarHBondContact O-N 3.45Å; Y45-N49 HydrophobicContact CE1-CB 4.15Å; Y45-N49 WeakPolarHBondContact CE2-ND2 3.35Å; Y45-N49 WeakPolarHBondContact O-CB 3.41Å; Y45-N49 PolarHBondContact O-N 2.91Å; Y45-N49 PolarHBondContact O-ND2 3.39Å; Y45-A52 HydrophobicContact CE1-CB 4.09Å
46L96.3Very high95.1Very high30 Ų3086.5 Ų86.516%0.15745%0.452CS..Hα-helixtrans-66.8-35.5176.6-73.6-177.7000112.9W42 H43 N44 E48 N49 P50 A52 I53W42-L46 HydrophobicContact CD2-CD1 4.31Å; W42-L46 HydrophobicContact CD2-CG 4.1Å; W42-L46 HydrophobicContact CE3-CG 4.47Å; W42-L46 HydrophobicContact CH2-CD2 3.58Å; W42-L46 HydrophobicContact CH2-CG 4.11Å; W42-L46 HydrophobicContact CZ2-CD1 3.75Å; W42-L46 HydrophobicContact CZ2-CD2 3.45Å; W42-L46 VanDerWaalsContact CZ2-CD2 3.45Å; W42-L46 HydrophobicContact CZ2-CG 3.69Å; W42-L46 HydrophobicContact CZ3-CD2 4.23Å; W42-L46 HydrophobicContact CZ3-CG 4.48Å; W42-L46 PolarHBondContact O-N 3.1Å; H43-L46 PolarHBondContact O-N 3.4Å; N44-L46 VanDerWaalsContact C-N 3.32Å; N44-L46 PolarHBondContact O-N 3.39Å; L46-E48 PolarHBondContact O-N 3.47Å; L46-N49 CarbonylContact O-C 3.18Å; L46-N49 PolarHBondContact O-N 3.27Å; L46-P50 WeakPolarHBondContact O-CA 3.36Å; L46-A52 HydrophobicContact CD2-CB 3.93Å; L46-I53 HydrophobicContact CB-CG1 4.21Å; L46-I53 HydrophobicContact CD1-CG1 4.29Å; L46-I53 HydrophobicContact CD2-CG1 3.85Å; L46-I53 HydrophobicContact CG-CG1 4.35Å
47A95.7Very high94.9Very high76 Ų7682.1 Ų82.163%0.62844%0.444SS*.Hα-helixtrans-62.6-34.7174.700000111.9H43 N44H43-A47 PolarHBondContact O-N 2.99Å; N44-A47 WeakPolarHBondContact O-CB 3.48Å; N44-A47 PolarHBondContact O-N 3.29Å
48E96.2Very high94.7Very high154 Ų15484.9 Ų84.972%0.7245%0.454SS*.Hα-helixtrans-81.8-27.4175-65.6176.7-176.900112.8N44 Y45 L46 P50N44-E48 PolarHBondContact O-N 2.93Å; Y45-E48 PolarHBondContact O-N 3.45Å; L46-E48 PolarHBondContact O-N 3.47Å; E48-P50 VanDerWaalsContact C-CD 3.49Å; E48-P50 WeakPolarHBondContact O-CD 3.24Å
49N95.7Very high94.6Very high58 Ų5890.1 Ų90.131%0.3148%0.479SS..  trans-126.767-174.9-60.3-86.3000111.3Y45 L46 T51 A52Y45-N49 HydrophobicContact CE1-CB 4.15Å; Y45-N49 WeakPolarHBondContact CE2-ND2 3.35Å; Y45-N49 WeakPolarHBondContact O-CB 3.41Å; Y45-N49 PolarHBondContact O-N 2.91Å; Y45-N49 PolarHBondContact O-ND2 3.39Å; L46-N49 CarbonylContact O-C 3.18Å; L46-N49 PolarHBondContact O-N 3.27Å; N49-T51 PolarHBondContact O-N 3.2Å; N49-A52 HydrophobicContact CB-CB 4.36Å; N49-A52 WeakPolarHBondContact O-CB 3.44Å; N49-A52 PolarHBondContact O-N 3.23Å
50P92.7Very high94.5Very high82 Ų8292.3 Ų92.353%0.53248%0.48SS..G310 helixtrans-61.2-24.8-174.323.3-34.3000113L46 E48 A52 I53L46-P50 WeakPolarHBondContact O-CA 3.36Å; E48-P50 VanDerWaalsContact C-CD 3.49Å; E48-P50 WeakPolarHBondContact O-CD 3.24Å; P50-A52 PolarHBondContact O-N 3.22Å; P50-I53 HydrophobicContact CB-CD1 4.36Å; P50-I53 WeakPolarHBondContact O-CG1 3.47Å; P50-I53 PolarHBondContact O-N 3.4Å
51T93.3Very high94.4Very high100 Ų10088.9 Ų88.961%0.61347%0.466SS*.G310 helixtrans-67-13.5176.272.70000113.8N49 K55N49-T51 PolarHBondContact O-N 3.2Å; T51-K55 WeakPolarHBondContact O-CD 3.27Å; T51-K55 WeakPolarHBondContact O-CE 3.15Å; T51-K55 VanDerWaalsContact O-CG 3.27Å; T51-K55 WeakPolarHBondContact O-CG 3.38Å
52A91.7Very high94.4Very high9 Ų988.2 Ų88.27%0.07446%0.463CS..G310 helixtrans-86.5-17.1179.300000113.4Y45 L46 N49 P50 D54 K55 V56Y45-A52 HydrophobicContact CE1-CB 4.09Å; L46-A52 HydrophobicContact CD2-CB 3.93Å; N49-A52 HydrophobicContact CB-CB 4.36Å; N49-A52 WeakPolarHBondContact O-CB 3.44Å; N49-A52 PolarHBondContact O-N 3.23Å; P50-A52 PolarHBondContact O-N 3.22Å; A52-D54 VanDerWaalsContact C-N 3.3Å; A52-D54 PolarHBondContact O-N 3.01Å; A52-K55 PolarHBondContact O-N 3.2Å; A52-K55 VanDerWaalsContact O-N 3.1Å; A52-V56 PolarHBondContact O-N 3.39Å
53I89.3Confident94.4Very high90 Ų9089 Ų8946%0.46248%0.477SS..THydrogen-bonded Turntrans-54.5-45.7-173.3-65.4172.1000111.4L46 P50L46-I53 HydrophobicContact CB-CG1 4.21Å; L46-I53 HydrophobicContact CD1-CG1 4.29Å; L46-I53 HydrophobicContact CD2-CG1 3.85Å; L46-I53 HydrophobicContact CG-CG1 4.35Å; P50-I53 HydrophobicContact CB-CD1 4.36Å; P50-I53 WeakPolarHBondContact O-CG1 3.47Å; P50-I53 PolarHBondContact O-N 3.4Å
54D89.1Confident94.5Very high157 Ų15790 Ų9084%0.8448%0.48SS*.THydrogen-bonded Turntrans-97.40.3-176.6-56.2-45.2000113.5A52A52-D54 VanDerWaalsContact C-N 3.3Å; A52-D54 PolarHBondContact O-N 3.01Å
55K93Very high94.5Very high149 Ų14988.4 Ų88.465%0.64847%0.469SS*.THydrogen-bonded Turntrans-93.7-30.1-175.2-70.9-178.1-174.3169.60113.2T51 A52T51-K55 WeakPolarHBondContact O-CD 3.27Å; T51-K55 WeakPolarHBondContact O-CE 3.15Å; T51-K55 VanDerWaalsContact O-CG 3.27Å; T51-K55 WeakPolarHBondContact O-CG 3.38Å; A52-K55 PolarHBondContact O-N 3.2Å; A52-K55 VanDerWaalsContact O-N 3.1Å
56V92.3Very high94.6Very high45 Ų4587 Ų8727%0.27347%0.471SS..SBendtrans-129119.9-170.6-164.50000108.8A52 E60 V61A52-V56 PolarHBondContact O-N 3.39Å; V56-E60 HydrophobicContact CG1-CB 4.05Å; V56-E60 HydrophobicContact CG1-CG 4.05Å; V56-V61 HydrophobicContact CB-CG2 4.18Å; V56-V61 HydrophobicContact CG1-CG2 3.48Å; V56-V61 VanDerWaalsContact CG1-CG2 3.48Å
57S94Very high94.6Very high60 Ų6089.7 Ų89.742%0.4249%0.485SS..  trans-68.8149.7175.268.40000111.2Q59 E60 V61S57-Q59 PolarHBondContact O-N 3.23Å; S57-E60 WeakPolarHBondContact O-CB 3.48Å; S57-E60 PolarHBondContact O-N 2.75Å; S57-E60 WeakPolarHBondContact OG-CB 3.1Å; S57-E60 PolarHBondContact OG-N 3.33Å; S57-V61 WeakPolarHBondContact O-CG2 3.37Å; S57-V61 PolarHBondContact O-N 2.98Å; S57-V61 VanDerWaalsContact O-N 3.07Å
58E93.4Very high94.7Very high149 Ų14987.2 Ų87.270%0.69647%0.465SS*.Hα-helixtrans-59.3-32.6177.2-61.289.2159.500111.8V61 A62E58-V61 PolarHBondContact O-N 3.23Å; E58-A62 VanDerWaalsContact O-CB 3.29Å; E58-A62 WeakPolarHBondContact O-CB 3.22Å; E58-A62 PolarHBondContact O-N 3.46Å
59Q95.5Very high94.8Very high165 Ų16584.3 Ų84.377%0.77145%0.451SS*.Hα-helixtrans-65.7-40.5175.8-174.4176.6-2.700112.1S57 A62 S63S57-Q59 PolarHBondContact O-N 3.23Å; Q59-A62 PolarHBondContact O-N 3.1Å; Q59-S63 WeakPolarHBondContact O-CB 3.38Å; Q59-S63 PolarHBondContact O-N 3.28Å
60E96Very high94.8Very high99 Ų9984.7 Ų84.746%0.46346%0.455SS..Hα-helixtrans-65.6-44.8175.6-177178.3174.100111V56 S57 A62 S63 K64V56-E60 HydrophobicContact CG1-CB 4.05Å; V56-E60 HydrophobicContact CG1-CG 4.05Å; S57-E60 WeakPolarHBondContact O-CB 3.48Å; S57-E60 PolarHBondContact O-N 2.75Å; S57-E60 WeakPolarHBondContact OG-CB 3.1Å; S57-E60 PolarHBondContact OG-N 3.33Å; E60-A62 VanDerWaalsContact C-N 3.34Å; E60-A62 PolarHBondContact O-N 3.04Å; E60-S63 PolarHBondContact O-N 3.44Å; E60-K64 WeakPolarHBondContact O-CG 3.44Å; E60-K64 PolarHBondContact O-N 2.8Å
61V95.8Very high95Very high17 Ų1787.9 Ų87.910%0.10346%0.456CS..Hα-helixtrans-59.6-45.3175.7-179.40000110.8F38 W42 V56 S57 E58 K64 F65F38-V61 HydrophobicContact CE1-CG1 3.72Å; F38-V61 HydrophobicContact CZ-CG1 3.56Å; W42-V61 HydrophobicContact CD2-CG1 4.02Å; W42-V61 HydrophobicContact CD2-CG2 4.43Å; W42-V61 HydrophobicContact CE3-CG1 4.04Å; W42-V61 HydrophobicContact CE3-CG2 4.44Å; W42-V61 HydrophobicContact CG-CG1 4.42Å; W42-V61 HydrophobicContact CH2-CG2 3.73Å; W42-V61 HydrophobicContact CZ2-CG2 3.69Å; W42-V61 HydrophobicContact CZ3-CG1 4.39Å; W42-V61 HydrophobicContact CZ3-CG2 4.1Å; V56-V61 HydrophobicContact CB-CG2 4.18Å; V56-V61 HydrophobicContact CG1-CG2 3.48Å; V56-V61 VanDerWaalsContact CG1-CG2 3.48Å; S57-V61 WeakPolarHBondContact O-CG2 3.37Å; S57-V61 PolarHBondContact O-N 2.98Å; S57-V61 VanDerWaalsContact O-N 3.07Å; E58-V61 PolarHBondContact O-N 3.23Å; V61-K64 PolarHBondContact O-N 3.3Å; V61-F65 WeakPolarHBondContact O-CB 3.5Å; V61-F65 PolarHBondContact O-N 3.46Å
62A96.7Very high95.1Very high47 Ų4791 Ų9139%0.38846%0.458SS..Hα-helixtrans-62.7-43.7177.500000112.1E58 Q59 E60 K64 F65 V66E58-A62 VanDerWaalsContact O-CB 3.29Å; E58-A62 WeakPolarHBondContact O-CB 3.22Å; E58-A62 PolarHBondContact O-N 3.46Å; Q59-A62 PolarHBondContact O-N 3.1Å; E60-A62 VanDerWaalsContact C-N 3.34Å; E60-A62 PolarHBondContact O-N 3.04Å; A62-K64 PolarHBondContact O-N 3.02Å; A62-F65 WeakPolarHBondContact O-CB 3.31Å; A62-F65 PolarHBondContact O-N 3.29Å; A62-V66 WeakPolarHBondContact O-CG2 3.29Å; A62-V66 PolarHBondContact O-N 3.47Å
63S97.2Very high95.4Very high67 Ų6796.3 Ų96.347%0.46948%0.479SS..Hα-helixtrans-60.7-47176.8-170.40000111.4Q59 E60 F65 V66 D67Q59-S63 WeakPolarHBondContact O-CB 3.38Å; Q59-S63 PolarHBondContact O-N 3.28Å; E60-S63 PolarHBondContact O-N 3.44Å; S63-F65 VanDerWaalsContact C-N 3.3Å; S63-F65 PolarHBondContact O-N 2.94Å; S63-V66 PolarHBondContact O-N 3.39Å; S63-D67 PolarHBondContact O-N 3.35Å
64K97.1Very high95.7Very high138 Ų13896.9 Ų96.960%0.648%0.48SS*.Hα-helixtrans-62.4-38.6177.4-69.5-67.3-176.4-174.90112.2E60 V61 A62 A68E60-K64 WeakPolarHBondContact O-CG 3.44Å; E60-K64 PolarHBondContact O-N 2.8Å; V61-K64 PolarHBondContact O-N 3.3Å; A62-K64 PolarHBondContact O-N 3.02Å; K64-A68 WeakPolarHBondContact O-CB 3.15Å; K64-A68 PolarHBondContact O-N 3.34Å; K64-A68 VanDerWaalsContact O-N 3.1Å
65F97.7Very high96Very high55 Ų5594 Ų9424%0.24147%0.465CS..Hα-helixtrans-62.7-47.7175.2173.3-103.1000111.7F38 V61 A62 S63 D67 A68 F69F38-F65 HydrophobicContact CB-CD2 4.29Å; F38-F65 HydrophobicContact CB-CE1 4.43Å; F38-F65 HydrophobicContact CB-CE2 3.91Å; F38-F65 HydrophobicContact CB-CZ 3.99Å; F38-F65 HydrophobicContact CD1-CB 4.01Å; F38-F65 HydrophobicContact CD1-CD1 4.01Å; F38-F65 AromaticContact CD1-CD2 3.83Å; F38-F65 HydrophobicContact CD1-CD2 3.83Å; F38-F65 HydrophobicContact CD1-CE1 4.46Å; F38-F65 HydrophobicContact CD1-CE2 4.29Å; F38-F65 AromaticContact CD1-CG 3.66Å; F38-F65 HydrophobicContact CD1-CG 3.66Å; F38-F65 AromaticContact CD2-CD2 3.35Å; F38-F65 HydrophobicContact CD2-CD2 3.35Å; F38-F65 AromaticContact CD2-CE2 3.6Å; F38-F65 HydrophobicContact CD2-CE2 3.6Å; F38-F65 HydrophobicContact CD2-CG 4.06Å; F38-F65 HydrophobicContact CD2-CZ 4.48Å; F38-F65 HydrophobicContact CE1-CB 3.45Å; F38-F65 VanDerWaalsContact CE1-CB 3.45Å; F38-F65 HydrophobicContact CE1-CD1 4.32Å; F38-F65 AromaticContact CE1-CD2 3.94Å; F38-F65 HydrophobicContact CE1-CD2 3.94Å; F38-F65 AromaticContact CE1-CG 3.64Å; F38-F65 HydrophobicContact CE1-CG 3.64Å; F38-F65 HydrophobicContact CE2-CB 4.15Å; F38-F65 AromaticContact CE2-CD2 3.49Å; F38-F65 HydrophobicContact CE2-CD2 3.49Å; F38-F65 VanDerWaalsContact CE2-CD2 3.49Å; F38-F65 HydrophobicContact CE2-CE2 4.21Å; F38-F65 HydrophobicContact CE2-CG 4.05Å; F38-F65 HydrophobicContact CG-CD1 4.3Å; F38-F65 AromaticContact CG-CD2 3.53Å; F38-F65 HydrophobicContact CG-CD2 3.53Å; F38-F65 HydrophobicContact CG-CE1 4.41Å; F38-F65 AromaticContact CG-CE2 3.66Å; F38-F65 HydrophobicContact CG-CE2 3.66Å; F38-F65 AromaticContact CG-CG 3.87Å; F38-F65 HydrophobicContact CG-CG 3.87Å; F38-F65 HydrophobicContact CG-CZ 4.11Å; F38-F65 HydrophobicContact CZ-CB 3.54Å; F38-F65 AromaticContact CZ-CD2 3.8Å; F38-F65 HydrophobicContact CZ-CD2 3.8Å; F38-F65 AromaticContact CZ-CG 3.86Å; F38-F65 HydrophobicContact CZ-CG 3.86Å; V61-F65 WeakPolarHBondContact O-CB 3.5Å; V61-F65 PolarHBondContact O-N 3.46Å; A62-F65 WeakPolarHBondContact O-CB 3.31Å; A62-F65 PolarHBondContact O-N 3.29Å; S63-F65 VanDerWaalsContact C-N 3.3Å; S63-F65 PolarHBondContact O-N 2.94Å; F65-D67 PolarHBondContact O-N 3.47Å; F65-A68 PolarHBondContact O-N 2.84Å; F65-F69 HydrophobicContact CE1-CB 4.39Å; F65-F69 HydrophobicContact CE1-CD2 4.46Å; F65-F69 HydrophobicContact CZ-CB 4.4Å; F65-F69 HydrophobicContact CZ-CD2 4.03Å; F65-F69 WeakPolarHBondContact O-CB 3.46Å; F65-F69 PolarHBondContact O-N 2.96Å
66V97.7Very high96.1Very high79 Ų7990.7 Ų90.748%0.47945%0.451SS..Hα-helixtrans-61.3-45.1179.4172.90000110.9A62 S63 A68 F69 V70A62-V66 WeakPolarHBondContact O-CG2 3.29Å; A62-V66 PolarHBondContact O-N 3.47Å; S63-V66 PolarHBondContact O-N 3.39Å; V66-A68 VanDerWaalsContact C-N 3.29Å; V66-A68 PolarHBondContact O-N 2.62Å; V66-F69 PolarHBondContact O-N 3.42Å; V66-V70 HydrophobicContact CG1-CG2 4.42Å; V66-V70 WeakPolarHBondContact O-CG2 3.3Å; V66-V70 PolarHBondContact O-N 2.79Å
67D96.8Very high96.2Very high87 Ų8790 Ų9047%0.46545%0.451SS..Hα-helixtrans-60.5-37.2177.4-70.9-19.7000112.8S63 F65 R71S63-D67 PolarHBondContact O-N 3.35Å; F65-D67 PolarHBondContact O-N 3.47Å; D67-R71 WeakPolarHBondContact O-CG 3.27Å; D67-R71 PolarHBondContact O-NE 3.34Å
68A97.7Very high96.1Very high25 Ų2592.8 Ų92.821%0.20745%0.452CS..Hα-helixtrans-74.2-46.1174.700000111.4K64 F65 V66 V70 R71 Y72K64-A68 WeakPolarHBondContact O-CB 3.15Å; K64-A68 PolarHBondContact O-N 3.34Å; K64-A68 VanDerWaalsContact O-N 3.1Å; F65-A68 PolarHBondContact O-N 2.84Å; V66-A68 VanDerWaalsContact C-N 3.29Å; V66-A68 PolarHBondContact O-N 2.62Å; A68-V70 PolarHBondContact O-N 2.77Å; A68-R71 PolarHBondContact O-N 3.4Å; A68-Y72 HydrophobicContact CB-CD2 4.35Å; A68-Y72 HydrophobicContact CB-CE2 4.35Å; A68-Y72 WeakPolarHBondContact O-CD2 3.38Å; A68-Y72 PolarHBondContact O-N 3.29Å
69F97.5Very high96.1Very high93 Ų9390.9 Ų90.941%0.40844%0.438SS..Hα-helixtrans-56.2-48.5-177.9178.1-90.4000111.1F65 V66 R71 Y72 F73F65-F69 HydrophobicContact CE1-CB 4.39Å; F65-F69 HydrophobicContact CE1-CD2 4.46Å; F65-F69 HydrophobicContact CZ-CB 4.4Å; F65-F69 HydrophobicContact CZ-CD2 4.03Å; F65-F69 WeakPolarHBondContact O-CB 3.46Å; F65-F69 PolarHBondContact O-N 2.96Å; V66-F69 PolarHBondContact O-N 3.42Å; F69-R71 VanDerWaalsContact C-N 3.34Å; F69-R71 PolarHBondContact O-N 3.41Å; F69-Y72 PolarHBondContact O-N 2.92Å; F69-F73 HydrophobicContact CD1-CB 4.32Å; F69-F73 HydrophobicContact CE1-CB 4.03Å; F69-F73 HydrophobicContact CE1-CD2 4.46Å; F69-F73 HydrophobicContact CE1-CG 4.2Å; F69-F73 HydrophobicContact CZ-CB 4.28Å; F69-F73 HydrophobicContact CZ-CD2 4.22Å; F69-F73 HydrophobicContact CZ-CG 4.37Å; F69-F73 WeakPolarHBondContact O-CB 3.3Å; F69-F73 PolarHBondContact O-N 2.77Å
70V97Very high96Very high65 Ų6587.1 Ų87.139%0.39442%0.423SS..Hα-helixtrans-58.1-47.6179.4173.40000110.8V66 A68 Y72 F73 E74V66-V70 HydrophobicContact CG1-CG2 4.42Å; V66-V70 WeakPolarHBondContact O-CG2 3.3Å; V66-V70 PolarHBondContact O-N 2.79Å; A68-V70 PolarHBondContact O-N 2.77Å; V70-Y72 PolarHBondContact O-N 3.46Å; V70-F73 PolarHBondContact O-N 3.46Å; V70-E74 HydrophobicContact CG1-CG 4.35Å; V70-E74 WeakPolarHBondContact O-CB 3.46Å; V70-E74 VanDerWaalsContact O-CG 3.3Å; V70-E74 WeakPolarHBondContact O-CG 3.33Å; V70-E74 PolarHBondContact O-N 3.32Å
71R96Very high95.6Very high150 Ų15085.7 Ų85.757%0.56642%0.423SS*.Hα-helixtrans-61.1-45.9179.6-70.6-176.7-71.8144.7-5.2112.6D67 A68 F69 N75D67-R71 WeakPolarHBondContact O-CG 3.27Å; D67-R71 PolarHBondContact O-NE 3.34Å; A68-R71 PolarHBondContact O-N 3.4Å; F69-R71 VanDerWaalsContact C-N 3.34Å; F69-R71 PolarHBondContact O-N 3.41Å; R71-N75 PolarHBondContact O-N 3Å; R71-N75 PolarHBondContact O-ND2 3.19Å
72Y96.8Very high95Very high164 Ų16491.9 Ų91.964%0.64344%0.444SS*.Hα-helixtrans-72-41.8179.8-74.1-67000112.2A68 F69 V70 N75 E76A68-Y72 HydrophobicContact CB-CD2 4.35Å; A68-Y72 HydrophobicContact CB-CE2 4.35Å; A68-Y72 WeakPolarHBondContact O-CD2 3.38Å; A68-Y72 PolarHBondContact O-N 3.29Å; F69-Y72 PolarHBondContact O-N 2.92Å; V70-Y72 PolarHBondContact O-N 3.46Å; Y72-N75 PolarHBondContact O-N 3.06Å; Y72-E76 VanDerWaalsContact O-CB 3.3Å; Y72-E76 WeakPolarHBondContact O-CB 3.36Å; Y72-E76 PolarHBondContact O-N 2.98Å
73F96.5Very high94.2Very high122 Ų12292.6 Ų92.654%0.53544%0.444SS..Hα-helixtrans-61.6-47177.8175.3-98.3000111.5F69 V70 N75 E76 A77F69-F73 HydrophobicContact CD1-CB 4.32Å; F69-F73 HydrophobicContact CE1-CB 4.03Å; F69-F73 HydrophobicContact CE1-CD2 4.46Å; F69-F73 HydrophobicContact CE1-CG 4.2Å; F69-F73 HydrophobicContact CZ-CB 4.28Å; F69-F73 HydrophobicContact CZ-CD2 4.22Å; F69-F73 HydrophobicContact CZ-CG 4.37Å; F69-F73 WeakPolarHBondContact O-CB 3.3Å; F69-F73 PolarHBondContact O-N 2.77Å; V70-F73 PolarHBondContact O-N 3.46Å; F73-N75 VanDerWaalsContact C-N 3.34Å; F73-N75 PolarHBondContact O-N 3.37Å; F73-E76 PolarHBondContact O-N 3.16Å; F73-A77 HydrophobicContact CE1-CB 4.32Å; F73-A77 HydrophobicContact CZ-CB 4.3Å; F73-A77 WeakPolarHBondContact O-CB 3.36Å; F73-A77 PolarHBondContact O-N 3.03Å
74E95.5Very high93.1Very high102 Ų10292.3 Ų92.348%0.47744%0.442SS..Hα-helixtrans-60.9-43.5178.9-77.1-175.7173.800112.2V70 R78V70-E74 HydrophobicContact CG1-CG 4.35Å; V70-E74 WeakPolarHBondContact O-CB 3.46Å; V70-E74 VanDerWaalsContact O-CG 3.3Å; V70-E74 WeakPolarHBondContact O-CG 3.33Å; V70-E74 PolarHBondContact O-N 3.32Å; E74-R78 WeakPolarHBondContact O-CB 3.3Å; E74-R78 PolarHBondContact O-N 3.4Å
75N95.1Very high92Very high97 Ų9794.1 Ų94.152%0.51945%0.445SS..Hα-helixtrans-62.4-46.2177.2-77.1-17.7000111.3R71 Y72 F73 R78 R79R71-N75 PolarHBondContact O-N 3Å; R71-N75 PolarHBondContact O-ND2 3.19Å; Y72-N75 PolarHBondContact O-N 3.06Å; F73-N75 VanDerWaalsContact C-N 3.34Å; F73-N75 PolarHBondContact O-N 3.37Å; N75-R78 PolarHBondContact O-N 3.37Å; N75-R79 WeakPolarHBondContact O-CB 3.41Å; N75-R79 PolarHBondContact O-N 3.42Å
76E96.2Very high90.4Very high78 Ų7897.2 Ų97.236%0.36446%0.463SS..Hα-helixtrans-72-43.3-177.1-174.760-169.600112.3Y72 F73 R78 R79 I80Y72-E76 VanDerWaalsContact O-CB 3.3Å; Y72-E76 WeakPolarHBondContact O-CB 3.36Å; Y72-E76 PolarHBondContact O-N 2.98Å; F73-E76 PolarHBondContact O-N 3.16Å; E76-R78 VanDerWaalsContact C-N 3.3Å; E76-R78 PolarHBondContact O-N 3.45Å; E76-R79 WeakPolarHBondContact O-CB 3.21Å; E76-R79 PolarHBondContact O-N 2.91Å; E76-R79 IonicContact OE1-CZ 3.38Å; E76-R79 IonicContact OE1-NE 3.35Å; E76-R79 PolarHBondContact OE1-NE 2.99Å; E76-R79 IonicContact OE1-NH2 2.62Å; E76-R79 PolarHBondContact OE1-NH2 3.49Å; E76-R79 IonicContact OE2-CZ 3.63Å; E76-R79 IonicContact OE2-NE 2.79Å; E76-R79 PolarHBondContact OE2-NE 3.4Å; E76-R79 IonicContact OE2-NH2 3.65Å; E76-I80 HydrophobicContact CG-CD1 3.92Å; E76-I80 WeakPolarHBondContact O-CB 3.34Å; E76-I80 VanDerWaalsContact O-CG1 3.31Å; E76-I80 WeakPolarHBondContact O-CG1 3.48Å; E76-I80 PolarHBondContact O-N 2.84Å
77A93.8Very high88.7Confident31 Ų3198.5 Ų98.526%0.25647%0.467SS..Hα-helixtrans-59.2-43.7173.900000110.9F73 R79 I80 C81F73-A77 HydrophobicContact CE1-CB 4.32Å; F73-A77 HydrophobicContact CZ-CB 4.3Å; F73-A77 WeakPolarHBondContact O-CB 3.36Å; F73-A77 PolarHBondContact O-N 3.03Å; A77-R79 PolarHBondContact O-N 3.4Å; A77-I80 PolarHBondContact O-N 2.74Å; A77-C81 WeakPolarHBondContact O-CB 3.19Å; A77-C81 PolarHBondContact O-N 3.35Å; A77-C81 PolarHBondContact O-SG 3.46Å
78R93Very high86.8Confident119 Ų11999.4 Ų99.445%0.44947%0.472SS..Hα-helixtrans-63.2-41.2176.2-173.9-170.1-64.3-177.1-0.3111.7E74 N75 E76 R82E74-R78 WeakPolarHBondContact O-CB 3.3Å; E74-R78 PolarHBondContact O-N 3.4Å; N75-R78 PolarHBondContact O-N 3.37Å; E76-R78 VanDerWaalsContact C-N 3.3Å; E76-R78 PolarHBondContact O-N 3.45Å; R78-R82 VanDerWaalsContact CD-CZ 3.4Å; R78-R82 VanDerWaalsContact CG-NH1 3.29Å; R78-R82 WeakPolarHBondContact O-CB 3.46Å; R78-R82 WeakPolarHBondContact O-CG 3.42Å; R78-R82 PolarHBondContact O-N 2.92Å
79R93.7Very high84.7Confident109 Ų109103.4 Ų103.441%0.41149%0.49SS..Hα-helixtrans-63-49.8176-170.6-166.969.172.4-1.9111.5N75 E76 A77 T83N75-R79 WeakPolarHBondContact O-CB 3.41Å; N75-R79 PolarHBondContact O-N 3.42Å; E76-R79 WeakPolarHBondContact O-CB 3.21Å; E76-R79 PolarHBondContact O-N 2.91Å; E76-R79 IonicContact OE1-CZ 3.38Å; E76-R79 IonicContact OE1-NE 3.35Å; E76-R79 PolarHBondContact OE1-NE 2.99Å; E76-R79 IonicContact OE1-NH2 2.62Å; E76-R79 PolarHBondContact OE1-NH2 3.49Å; E76-R79 IonicContact OE2-CZ 3.63Å; E76-R79 IonicContact OE2-NE 2.79Å; E76-R79 PolarHBondContact OE2-NE 3.4Å; E76-R79 IonicContact OE2-NH2 3.65Å; A77-R79 PolarHBondContact O-N 3.4Å; R79-T83 WeakPolarHBondContact O-CB 3.07Å; R79-T83 PolarHBondContact O-N 3Å; R79-T83 PolarHBondContact O-OG1 3.49Å
80I91.7Very high82.5Confident86 Ų86102.2 Ų102.244%0.44149%0.493SS..Hα-helixtrans-64-48.5-180-67.3168.6000110.7E76 A77 R82 T83 S84E76-I80 HydrophobicContact CG-CD1 3.92Å; E76-I80 WeakPolarHBondContact O-CB 3.34Å; E76-I80 VanDerWaalsContact O-CG1 3.31Å; E76-I80 WeakPolarHBondContact O-CG1 3.48Å; E76-I80 PolarHBondContact O-N 2.84Å; A77-I80 PolarHBondContact O-N 2.74Å; I80-R82 PolarHBondContact O-N 3.23Å; I80-T83 PolarHBondContact O-N 3.05Å; I80-S84 WeakPolarHBondContact O-CB 3.37Å; I80-S84 PolarHBondContact O-N 3.17Å
81C88.1Confident80.5Confident69 Ų69104.8 Ų104.847%0.46651%0.509SS..Hα-helixtrans-63.6-38.6-179.3-73.70000112.5A77 S84 R85A77-C81 WeakPolarHBondContact O-CB 3.19Å; A77-C81 PolarHBondContact O-N 3.35Å; A77-C81 PolarHBondContact O-SG 3.46Å; C81-S84 PolarHBondContact O-N 2.96Å; C81-R85 VanDerWaalsContact O-CG 3.3Å; C81-R85 WeakPolarHBondContact O-CG 3.42Å; C81-R85 PolarHBondContact O-N 3.24Å
82R84.2Confident78.3Confident147 Ų147103.6 Ų103.656%0.55552%0.518SS*.Hα-helixtrans-65.6-45.2173.4-75.9174.2-179.6153.3-2.6111.9R78 I80 S84 R85 L86R78-R82 VanDerWaalsContact CD-CZ 3.4Å; R78-R82 VanDerWaalsContact CG-NH1 3.29Å; R78-R82 WeakPolarHBondContact O-CB 3.46Å; R78-R82 WeakPolarHBondContact O-CG 3.42Å; R78-R82 PolarHBondContact O-N 2.92Å; I80-R82 PolarHBondContact O-N 3.23Å; R82-S84 VanDerWaalsContact C-N 3.28Å; R82-S84 PolarHBondContact O-N 3.47Å; R82-R85 PolarHBondContact O-N 2.86Å; R82-R85 VanDerWaalsContact O-N 3.13Å; R82-L86 WeakPolarHBondContact O-CG 3.3Å; R82-L86 PolarHBondContact O-N 2.99Å
83T79.5Confident76.1Confident62 Ų62100.5 Ų100.538%0.3852%0.52SS..Hα-helixtrans-60.8-41.4177.4-51.30000110.8R79 I80 R85 L86 L87R79-T83 WeakPolarHBondContact O-CB 3.07Å; R79-T83 PolarHBondContact O-N 3Å; R79-T83 PolarHBondContact O-OG1 3.49Å; I80-T83 PolarHBondContact O-N 3.05Å; T83-R85 VanDerWaalsContact C-N 3.35Å; T83-R85 PolarHBondContact O-N 3.42Å; T83-L86 PolarHBondContact O-N 3.44Å; T83-L87 HydrophobicContact CG2-CD1 4.38Å; T83-L87 VanDerWaalsContact O-CG 3.3Å; T83-L87 WeakPolarHBondContact O-CG 3.34Å; T83-L87 PolarHBondContact O-N 2.86Å
84S74.7Confident73.5Confident60 Ų60102.1 Ų102.142%0.4253%0.534SS..Hα-helixtrans-64.6-36.4175.6-173.20000112.9I80 C81 R82 N88I80-S84 WeakPolarHBondContact O-CB 3.37Å; I80-S84 PolarHBondContact O-N 3.17Å; C81-S84 PolarHBondContact O-N 2.96Å; R82-S84 VanDerWaalsContact C-N 3.28Å; R82-S84 PolarHBondContact O-N 3.47Å; S84-N88 PolarHBondContact O-N 3.13Å; S84-N88 VanDerWaalsContact O-N 3.11Å
85R72.6Confident70.8Confident176 Ų176100.5 Ų100.566%0.66454%0.544SS*.Hα-helixtrans-67.7-44.2174.9-72.4174.6-170.8-168.72.3111.4C81 R82 T83 L87 N88 D89C81-R85 VanDerWaalsContact O-CG 3.3Å; C81-R85 WeakPolarHBondContact O-CG 3.42Å; C81-R85 PolarHBondContact O-N 3.24Å; R82-R85 PolarHBondContact O-N 2.86Å; R82-R85 VanDerWaalsContact O-N 3.13Å; T83-R85 VanDerWaalsContact C-N 3.35Å; T83-R85 PolarHBondContact O-N 3.42Å; R85-L87 VanDerWaalsContact C-N 3.32Å; R85-L87 PolarHBondContact O-N 3.18Å; R85-N88 PolarHBondContact O-N 3.36Å; R85-N88 VanDerWaalsContact O-N 3.14Å; R85-D89 PolarHBondContact O-N 3.35Å
86L64.7Low68.3Low121 Ų121100.2 Ų100.263%0.63455%0.55SS**Hα-helixtrans-63.6-36.9176.6-66.8176.3000112.4R82 T83 D89 S90R82-L86 WeakPolarHBondContact O-CG 3.3Å; R82-L86 PolarHBondContact O-N 2.99Å; T83-L86 PolarHBondContact O-N 3.44Å; L86-D89 PolarHBondContact O-N 3.06Å; L86-S90 WeakPolarHBondContact O-CB 3.37Å; L86-S90 PolarHBondContact O-N 2.89Å; L86-S90 PolarHBondContact O-OG 3.33Å
87L61.3Low65.7Low106 Ų106105.1 Ų105.156%0.55557%0.573SS**Hα-helixtrans-65.1-40.7173.6-71.7173.8000111.4T83 R85 S90 V91T83-L87 HydrophobicContact CG2-CD1 4.38Å; T83-L87 VanDerWaalsContact O-CG 3.3Å; T83-L87 WeakPolarHBondContact O-CG 3.34Å; T83-L87 PolarHBondContact O-N 2.86Å; R85-L87 VanDerWaalsContact C-N 3.32Å; R85-L87 PolarHBondContact O-N 3.18Å; L87-S90 PolarHBondContact O-N 3.32Å; L87-S90 PolarHBondContact O-OG 3.4Å; L87-V91 WeakPolarHBondContact O-CG2 3.41Å; L87-V91 PolarHBondContact O-N 2.89Å
88N57.5Low62.9Low106 Ų106108.7 Ų108.757%0.56760%0.596SS**Hα-helixtrans-66.7-39.2176.5-73-10.7000112.3S84 R85 V92S84-N88 PolarHBondContact O-N 3.13Å; S84-N88 VanDerWaalsContact O-N 3.11Å; R85-N88 PolarHBondContact O-N 3.36Å; R85-N88 VanDerWaalsContact O-N 3.14Å; N88-V92 WeakPolarHBondContact O-CG2 3.3Å
89D53.7Low60.3Low109 Ų109110 Ų11058%0.58361%0.611SS**Hα-helixtrans-71.8-33.5177.6-69.4-28.9000112.2R85 L86 V91 V92 S93R85-D89 PolarHBondContact O-N 3.35Å; L86-D89 PolarHBondContact O-N 3.06Å; D89-V91 VanDerWaalsContact C-N 3.27Å; D89-V91 PolarHBondContact O-N 3.46Å; D89-V92 PolarHBondContact O-N 3.08Å; D89-S93 PolarHBondContact O-N 2.93Å
90S52.1Low57.9Low68 Ų68115.3 Ų115.348%0.47664%0.637SS.*Hα-helixtrans-67.4-24.717875.90000113.9L86 L87L86-S90 WeakPolarHBondContact O-CB 3.37Å; L86-S90 PolarHBondContact O-N 2.89Å; L86-S90 PolarHBondContact O-OG 3.33Å; L87-S90 PolarHBondContact O-N 3.32Å; L87-S90 PolarHBondContact O-OG 3.4Å
91V53.3Low55.4Low119 Ų119117.5 Ų117.572%0.72166%0.655SS**Hα-helixtrans-83-23.5177.8177.40000111.6L87 D89L87-V91 WeakPolarHBondContact O-CG2 3.41Å; L87-V91 PolarHBondContact O-N 2.89Å; D89-V91 VanDerWaalsContact C-N 3.27Å; D89-V91 PolarHBondContact O-N 3.46Å
92V51.2Low53.2Low125 Ų125119 Ų11976%0.75867%0.666SS**Hα-helixtrans-92.9-23.1-177.7-177.60000112.4N88 D89N88-V92 WeakPolarHBondContact O-CG2 3.3Å; D89-V92 PolarHBondContact O-N 3.08Å
93S49.7Very low51.1Low98 Ų98120.7 Ų120.769%0.68568%0.68SS**SBendtrans-89.6-0.4-174.6-145.10000115.8D89 G95D89-S93 PolarHBondContact O-N 2.93Å; S93-G95 VanDerWaalsContact C-N 3.3Å; S93-G95 PolarHBondContact O-N 3.45Å
94N42.5Very low49.3Very low157 Ų157123.2 Ų123.284%0.8470%0.701SS**THydrogen-bonded Turntrans-91.737.6-174.5-118.165.4000114.5
95G39.5Very low47.9Very low67 Ų67124.4 Ų124.469%0.69171%0.714SS**THydrogen-bonded Turntrans-106.9-9.7-175.900000116.6S93S93-G95 VanDerWaalsContact C-N 3.3Å; S93-G95 PolarHBondContact O-N 3.45Å
96S42.2Very low46.2Very low91 Ų91124 Ų12464%0.63672%0.724SS**SBendtrans-151.9127.8-169.1-43.30000111.1
97H41.9Very low45.1Very low182 Ų182124 Ų12484%0.84373%0.733SS**  trans95.170.7169.1-44.8-66.3000118.1
98S35.1Very low44Very low105 Ų105130.4 Ų130.473%0.73475%0.75SS**  34.4121.1107.2-150.10000119.3
99L38Very low43.3Very low148 Ų148133 Ų13378%0.77576%0.764SS**  trans76.277.8154.8-53.6171.8000118.8
100F43Very low42.6Very low219 Ų219131.5 Ų131.596%0.96177%0.774SS**  trans-139.7138.1134.9-85.4-75.9000111.4
101T39.5Very low42.1Very low133 Ų133131.3 Ų131.382%0.81678%0.783SS**  trans-75.1158.4-165.64.60000113.7
102S42.1Very low41.9Very low99 Ų99129.8 Ų129.869%0.69278%0.782SS**  trans97.7106.7153.4-151.30000117.8
103E40.1Very low41.9Very low183 Ų183135.3 Ų135.386%0.85579%0.79SS**  trans47.1107139.8-64.4-173.9125.600118.7
104S40.7Very low42Very low116 Ų116134.4 Ų134.481%0.81179%0.788SS**  164.2119.3108.9-172.20000111.8
105A45.8Very low42.2Very low84 Ų84134.3 Ų134.369%0.69478%0.782SS**  trans60.1107.5142.700000120.3C107A105-C107 PolarHBondContact O-N 3.45Å
106L37Very low42.6Very low169 Ų169138.8 Ų138.889%0.88578%0.779SS**  trans-28.2122.4141.9-67.577.2000113.1
107C41.9Very low43.1Very low121 Ų121140.6 Ų140.682%0.81879%0.787SS**  trans-156.4104.1150.1-91.30000110.4A105A105-C107 PolarHBondContact O-N 3.45Å
108R38.1Very low43.3Very low240 Ų240139.2 Ų139.291%0.90679%0.785SS**  trans-59.8131.6148.5-79.5169.4136.4-130.60.6108
109N42.2Very low43.8Very low160 Ų160138.4 Ų138.486%0.85678%0.78SS**  trans170.8131.7153.7-86.8-11.5000107.2
110G38.3Very low44.2Very low77 Ų77137.3 Ų137.379%0.79477%0.774SS**  cis75.191.342.700000110.1
111G41.6Very low44.2Very low65 Ų65133.2 Ų133.267%0.6777%0.771SS**  trans128-1.6158.700000120.2R113G111-R113 VanDerWaalsContact C-N 3.32Å; G111-R113 PolarHBondContact O-N 2.92Å
112A49.5Very low44.1Very low86 Ų86131.7 Ų131.771%0.71177%0.766SS**THydrogen-bonded Turntrans-76.9-1.5-171.500000116.9
113R51Low43.8Very low242 Ų242132 Ų13291%0.91377%0.768SS**THydrogen-bonded Turntrans-80.4-21.8-176.1-171.4171.7167169.8-3.5114.1G111G111-R113 VanDerWaalsContact C-N 3.32Å; G111-R113 PolarHBondContact O-N 2.92Å
114A51Low44.1Very low78 Ų78132.5 Ų132.565%0.64577%0.77SS**SBendtrans-96.8-9-170.900000115.2
115Q47.9Very low44.3Very low155 Ų155132.6 Ų132.672%0.72477%0.766SS**SBendtrans-91.6-9.5-176.2-69.1-170.9-14.600114.5
116Y47.5Very low44.3Very low161 Ų161136.4 Ų136.463%0.63178%0.775SS**THydrogen-bonded Turntrans-77.9-21.7-175.9-109.6-87.3000114.5N118Y116-N118 VanDerWaalsContact C-N 3.32Å; Y116-N118 PolarHBondContact O-N 3.14Å
117V52.8Low44.6Very low130 Ų130133 Ų13379%0.78877%0.766SS**THydrogen-bonded Turntrans-77.5-15.6-177.6-64.70000113.7
118N45.9Very low44.5Very low152 Ų152134.7 Ų134.781%0.81377%0.766SS**SBendtrans-106.2-8.6-176.3-120.412.3000114.4Y116Y116-N118 VanDerWaalsContact C-N 3.32Å; Y116-N118 PolarHBondContact O-N 3.14Å
119S46.2Very low44.7Very low88 Ų88128.8 Ų128.862%0.61576%0.76SS**SBendtrans-100.71-175.6-69.80000115
120L47Very low44.6Very low126 Ų126126.9 Ų126.966%0.6676%0.76SS**SBendtrans-98.54.4-176.1-61.5178000114.3
121C41.7Very low45Very low132 Ų132130.5 Ų130.589%0.89276%0.761SS**  trans-9715.8173.1-780000113.9
122S38.2Very low45Very low101 Ų101132 Ų13271%0.70676%0.761SS**SBendtrans-102.7113.2170-70.60000110.1E124S122-E124 PolarHBondContact O-N 3.11Å
123S36Very low44.5Very low107 Ų107135 Ų13575%0.74877%0.765SS**  trans-46.1121.2176.356.80000113.6
124E44.8Very low44.3Very low192 Ų192131.1 Ų131.190%0.89776%0.762SS**  trans-11991.3155.8-55.2-166.713900106.4S122 D126S122-E124 PolarHBondContact O-N 3.11Å; E124-D126 PolarHBondContact O-N 2.92Å
125T46.6Very low43.6Very low119 Ų119132.6 Ų132.673%0.7377%0.767SS**  trans-67.699166.447.80000107.9S127T125-S127 VanDerWaalsContact C-N 3.31Å; T125-S127 PolarHBondContact O-N 3.42Å
126D44Very low43.2Very low164 Ų164133 Ų13388%0.87777%0.769SS**  trans-82.189158.9-140.1-23.1000106.4E124E124-D126 PolarHBondContact O-N 2.92Å
127S44.5Very low43Very low98 Ų98133.2 Ų133.269%0.68578%0.776SS**  trans-92109.6171.4-68.10000108.3T125 C129T125-S127 VanDerWaalsContact C-N 3.31Å; T125-S127 PolarHBondContact O-N 3.42Å; S127-C129 PolarHBondContact O-N 3.13Å
128D39.5Very low42.5Very low155 Ų155136 Ų13683%0.82978%0.778SS**  trans-45.2126.6155.1-79.5-46.5000110.1
129C42.8Very low42.1Very low116 Ų116133.2 Ų133.278%0.78477%0.77SS**  trans-175.2100.4143.8-95.10000109.5S127 N131S127-C129 PolarHBondContact O-N 3.13Å; C129-N131 PolarHBondContact O-N 3.02Å
130S40Very low42.3Very low121 Ų121137.7 Ų137.785%0.84679%0.786SS**  trans-44.3120.2156.2-60.20000110.9
131N45.4Very low42.5Very low153 Ų153141 Ų14182%0.81880%0.795SS**  trans-138.3110.7156-91.8-39.3000110C129C129-N131 PolarHBondContact O-N 3.02Å
132S41.9Very low43.2Very low97 Ų97144.2 Ų144.268%0.67879%0.794SS**  trans-50.8143.4166.249.40000112.7
133N40.3Very low44.1Very low148 Ų148147.9 Ų147.979%0.79180%0.797SS**  trans47.7112.8145.5-65.5-29.2000117.5
134L46Very low45.1Very low161 Ų161153.7 Ų153.784%0.84380%0.803SS**  167.5111.3112.3-83.5165.4000110.1
135S36.6Very low45.3Very low108 Ų108147.8 Ų147.876%0.75579%0.793SS**  trans20.4110.3141.357.20000119.1
136H40Very low46.2Very low163 Ų163150.4 Ų150.476%0.75580%0.802SS**  -158.8123.3124.8-152.3-79.5000111.8F138H136-F138 AromaticContact CE1-CD2 3.64Å; H136-F138 AromaticContact CE1-CE2 3.27Å; H136-F138 WeakPolarHBondContact CE1-CE2 3.49Å; H136-F138 AromaticContact ND1-CD2 3.52Å; H136-F138 AromaticContact ND1-CE2 3.67Å
137E42.3Very low47.3Very low167 Ų167152.6 Ų152.678%0.7880%0.804SS**  trans-72129.4174.1-175.8-178.2-178.500110.4
138F43.2Very low48.1Very low188 Ų188152.9 Ų152.983%0.82581%0.806SS**  trans-154.2112.4149.1-94.7-67.1000110.7H136H136-F138 AromaticContact CE1-CD2 3.64Å; H136-F138 AromaticContact CE1-CE2 3.27Å; H136-F138 WeakPolarHBondContact CE1-CE2 3.49Å; H136-F138 AromaticContact ND1-CD2 3.52Å; H136-F138 AromaticContact ND1-CE2 3.67Å
139S37.7Very low49.6Very low94 Ų94156.5 Ų156.566%0.65781%0.808SS**  trans-73.3128.1173.3-87.30000112.1
140L50.6Low50.8Low182 Ų182158.3 Ų158.395%0.95381%0.809SS**  trans-130.787.5153.7-76.2174.7000110.3K142L140-K142 PolarHBondContact O-N 3.07Å
141K50.2Low51.5Low195 Ų195157 Ų15785%0.84880%0.8SS**  trans-74.4109.2163.4-68.6176.3177.8172.60109.4
142K56.5Low52.3Low200 Ų200160.3 Ų160.387%0.8780%0.803SS**  trans-163.492.6153.6-110.2170.9-176.7177.40108.8L140L140-K142 PolarHBondContact O-N 3.07Å
143K57.8Low53.5Low177 Ų177164.4 Ų164.477%0.7781%0.808SS**  61.9107.7103.8-85.3-168.9176.7177.90115.2
144R56Low54.2Low230 Ų230163 Ų16387%0.86881%0.81SS**  trans70.5110.2130.8-72.2-177.1173.2161-2.5118.7
145G50.2Low54.7Low68 Ų68162.2 Ų162.270%0.70181%0.812SS**  103.784.9124.300000116
146L64Low55.9Low173 Ų173166 Ų16691%0.90681%0.814SS**  trans-123.416.5164.5-68.9177.3000113.9S148L146-S148 PolarHBondContact O-N 3.43Å
147F66.8Low56.8Low211 Ų211169.1 Ų169.193%0.92582%0.819SS**  trans-78.780163.5-65.7-71.3000109.3R149F147-R149 VanDerWaalsContact C-N 3.31Å; F147-R149 PolarHBondContact O-N 3.2Å
148S62.5Low57.1Low103 Ų103166.2 Ų166.272%0.7282%0.817SS**  trans-63.596.8163.4-175.70000107.8L146 L150L146-S148 PolarHBondContact O-N 3.43Å; S148-L150 PolarHBondContact O-N 3.46Å
149R71.5Confident58Low231 Ų231164.2 Ų164.287%0.87282%0.815SS**  trans-66.398.1173.7-173.6173.8178.4163.7-0.5107.5F147 S151F147-R149 VanDerWaalsContact C-N 3.31Å; F147-R149 PolarHBondContact O-N 3.2Å; R149-S151 VanDerWaalsContact C-N 3.31Å; R149-S151 PolarHBondContact O-N 3.18Å
150L66.5Low59.2Low154 Ų154167.6 Ų167.681%0.80682%0.818SS**  trans-60.996.7168.5-66.3175.5000108.3S148 Y152S148-L150 PolarHBondContact O-N 3.46Å; L150-Y152 PolarHBondContact O-N 3.25Å
151S56.4Low59.4Low94 Ų94168.2 Ų168.266%0.65781%0.813SS**  trans-72.7104.2175.2165.50000109.3R149 K153R149-S151 VanDerWaalsContact C-N 3.31Å; R149-S151 PolarHBondContact O-N 3.18Å; S151-K153 PolarHBondContact O-N 2.93Å
152Y61.5Low60Low223 Ų223168.7 Ų168.788%0.87582%0.815SS**  trans-7275168.3-111.6-93.4000110.6L150L150-Y152 PolarHBondContact O-N 3.25Å
153K66.7Low60.4Low182 Ų182165.4 Ų165.479%0.79181%0.814SS**  trans-145.284.7165.8-78.2-164.6171.6-176.30108S151S151-K153 PolarHBondContact O-N 2.93Å
154S54.3Low60Low118 Ų118162.1 Ų162.183%0.82581%0.814SS**  trans153.681.6152.7-700000111.1
155V56.4Low59.9Low146 Ų146159.2 Ų159.289%0.88581%0.814SS**  trans-124.183.7152.7-176.20000106.4
156K61.9Low60.1Low186 Ų186165 Ų16581%0.80982%0.823SS**  trans-107113.3168.2-83-174.7175.3177.30107.6
157R59Low59.7Low229 Ų229164.7 Ų164.786%0.86482%0.817SS**SBendtrans64.3137.8149.4-59.5-171.9-70.6174-2.2119
158S49.7Very low58.8Low106 Ų106158.8 Ų158.874%0.74180%0.802SS**  trans84.389.6143.2-1700000116.9
159L61Low58Low147 Ų147160.9 Ų160.977%0.7781%0.81SS**  trans-132.3108.5150.7-69.1-179.6000109.1
160F63.1Low56.8Low165 Ų165158.9 Ų158.972%0.72481%0.808SS**  trans68.795.3149.5-51.4-63.5000117.9
161K56.1Low56Low195 Ų195157 Ų15785%0.84881%0.805SS**  92.992.484.7-91.2-170.5176.9-175.40111.3
162K61.9Low55.4Low204 Ų204159.9 Ų159.989%0.88781%0.813SS**PPolyproline II helixtrans-68137.4158.2-98.4171.3163.8171.10109.1
163P64.4Low54.5Low131 Ų131154.3 Ų154.385%0.85181%0.807SS**PPolyproline II helixtrans-76.1123158.910.92.1000109.3
164S50.2Low53.3Low109 Ų109150.4 Ų150.476%0.76280%0.801SS**PPolyproline II helixtrans-80.5128.4165.455.20000109.2E166S164-E166 PolarHBondContact O-N 3.32Å
165L54.2Low53Low169 Ų169154.3 Ų154.389%0.88580%0.803SS**  trans-74.8113163.7-167.492.8000106.7
166E53.7Low52.4Low189 Ų189152.1 Ų152.188%0.88379%0.794SS**  trans-86.5127.6177-152-173.2-17600109.1S164S164-E166 PolarHBondContact O-N 3.32Å
167E55.8Low51.6Low166 Ų166151.7 Ų151.778%0.77680%0.795SS**  trans-109120.4178.9-171.8169.9140.600109.3
168S47.1Very low50.9Low87 Ų87152.2 Ų152.261%0.60880%0.797SS**  trans44.6111.2152.671.10000120.6
169V46.7Very low50.8Low148 Ų148153.6 Ų153.690%0.89780%0.804SS**  trans-146.8117.1132.9-177.10000108.3
170F46Very low50.3Low188 Ų188154.9 Ų154.983%0.82581%0.811SS**  trans-65.1151.4171.3-81-90.1000110.9
171P50.7Low49.4Very low114 Ų114152.7 Ų152.774%0.7482%0.815SS**  -150.7159.675.935.4-13.5000117.6
172D42.1Very low49.4Very low156 Ų156152.7 Ų152.783%0.83482%0.816SS**  trans42112.4149.9-69.4-24000121
173S43.1Very low48.8Very low106 Ų106151.3 Ų151.374%0.74181%0.812SS**  151.5121.3102.5-1610000112.6
174C42.2Very low48.3Very low99 Ų99154 Ų15467%0.66981%0.805SS**  trans65.6111.7147.7-68.30000122.6
175K48.5Very low48.3Very low200 Ų200156.6 Ų156.687%0.8781%0.811SS**  trans72.8138.5136.3-55.3178.4-174.5-174.30116.4
176S42.1Very low48.4Very low100 Ų100157.6 Ų157.670%0.69980%0.803SS**  cis-170.5151.5-0.6-166.80000107
177E45.2Very low48.2Very low177 Ų177154.5 Ų154.583%0.82780%0.802SS**  trans77.6100.7153-74.3175.6-162.700124.2
178R45.3Very low48.5Very low241 Ų241156 Ų15691%0.90981%0.806SS**  trans29.5137.2140.9-62.7-178.3-169.5174.74.6122.1
179P47.5Very low49Very low134 Ų134158.9 Ų158.987%0.8782%0.82SS**  trans-132.4153.3134.831-14.4000115.6
180L50.8Low49.2Very low175 Ų175158 Ų15892%0.91682%0.819SS**  trans-66.5152.1-178.1-76.1138.2000115.2
181S44.1Very low50Low118 Ų118153.4 Ų153.483%0.82582%0.815SS**  trans-63.9137.817854.20000115.8
182K56.5Low50.9Low196 Ų196158 Ų15885%0.85282%0.824SS**  trans-124.4153.4160.9-84.1176.7178.3173.90106.2
183Q48.4Very low52.3Low174 Ų174156.8 Ų156.881%0.81382%0.822SS**  cis-172.5146-5.1174.9177.6-31.100104.9
184R54.8Low53.8Low187 Ų187158.2 Ų158.271%0.70683%0.826SS**  trans-71.8132.2-169.2-168.317180.3162.32.2113.9
185N49.2Very low55.3Low164 Ų164159.2 Ų159.288%0.87783%0.829SS**  trans-67131.1164.7-77.6-29.8000110.6
186R56Low56.4Low191 Ų191158.1 Ų158.172%0.72183%0.827SS**  trans-123.4110173.5-90.5-172.6145.5-175.5-6.6110.3
187S49.5Very low57.9Low124 Ų124160.5 Ų160.587%0.86783%0.831SS**  trans-67.1140.8159.9-48.20000109.8
188K63.6Low58.9Low198 Ų198159.4 Ų159.486%0.86183%0.829SS**  trans-122.7109.9169.7-71-176.3178.51780109.4
189T56.1Low60Low146 Ų146156.1 Ų156.190%0.89682%0.823SS**PPolyproline II helixtrans-73.8140.1161.412.30000109.4
190C50.5Low60.2Low130 Ų130161.9 Ų161.988%0.87884%0.839SS**PPolyproline II helixtrans-101.3123.3173.7-162.80000109.1
191A63.5Low60.7Low91 Ų91161.3 Ų161.375%0.75284%0.835SS**PPolyproline II helixtrans-97.5136.2169.100000109.3
192K70.4Confident61.6Low210 Ų210163.5 Ų163.591%0.91384%0.835SS**PPolyproline II helixtrans-94.5125.8169.9-96.1175.2169.2174.60108.2
193T71.9Confident61.9Low131 Ų131161.7 Ų161.780%0.80483%0.834SS**PPolyproline II helixtrans-102.3129.3169-31.20000108.2
194V73.2Confident62.6Low137 Ų137161 Ų16183%0.8384%0.836SS**PPolyproline II helixtrans-98.9128.2169.7175.10000106.8
195V75.1Confident63.1Low120 Ų120159.4 Ų159.473%0.72784%0.844SS**  trans-107.6120173.1175.90000107.5
196E71.7Confident64.1Low177 Ų177159.1 Ų159.183%0.82784%0.842SS**  trans-89.2126.8173.3-163.1171.1-155.900107.8
197I72.4Confident64.6Low150 Ų150156.8 Ų156.877%0.76985%0.85SS**  trans-104.1114.7175.1-55.8175.5000106.8
198I66.9Low65.8Low154 Ų154159.3 Ų159.379%0.7985%0.849SS**  trans-78.1127.1171.7-63.1169.8000107.3
199H66.9Low66Low172 Ų172156.1 Ų156.180%0.79685%0.848SS**  trans-91.1143.7169.6-132.1-97.8000109.2
200E53.2Low66.9Low255 Ų255157 Ų157100%1.19284%0.844SS**  trans-40.80-178.5-156.7173.6-172.700116.7

Retrieved 200 of 200 residues in 29.1 ms (Link to these results)