A0A077Z2K0_TRITR Loading...

Gemin7 domain containing protein

AlphaFold DB , UniProt , Accession A0A077Z2K0, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 95 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
1M61.9Low83.6Confident228 Ų228127.5 Ų127.5100%1.12363%0.634SS**  0-14.70-114.3-174.5-73.100112.3
2E68Low84.6Confident159 Ų159120.3 Ų120.374%0.74362%0.616SS**Hα-helixtrans-68.7-41.6178-68.7171.5164.700113.4A4 S5 D6E2-A4 PolarHBondContact O-N 3.1Å; E2-A4 VanDerWaalsContact O-N 3.09Å; E2-S5 WeakPolarHBondContact O-CA 3.33Å; E2-S5 WeakPolarHBondContact O-CB 3.46Å; E2-S5 PolarHBondContact O-N 3.09Å; E2-D6 PolarHBondContact O-N 2.87Å; E2-D6 VanDerWaalsContact O-N 3.1Å
3E71.9Confident85.4Confident170 Ų170120.8 Ų120.879%0.79461%0.611SS**Hα-helixtrans-54.9-35.2-178.7-63.8179.1169.900114.1S5 A7E3-S5 VanDerWaalsContact C-N 3.35Å; E3-A7 WeakPolarHBondContact O-CB 3.33Å; E3-A7 PolarHBondContact O-N 3.23Å
4A76.8Confident86.2Confident71 Ų71119.1 Ų119.159%0.58760%0.604SS**Hα-helixtrans-71.4-29.9177.900000112.7E2 R8E2-A4 PolarHBondContact O-N 3.1Å; E2-A4 VanDerWaalsContact O-N 3.09Å; A4-R8 WeakPolarHBondContact O-CB 3.4Å; A4-R8 PolarHBondContact O-N 3.36Å
5S82.5Confident86.7Confident58 Ų58116.9 Ų116.941%0.40659%0.585SS.*Hα-helixtrans-71.5-49.3174.9-162.80000110.1E2 E3 A7 R8 E9E2-S5 WeakPolarHBondContact O-CA 3.33Å; E2-S5 WeakPolarHBondContact O-CB 3.46Å; E2-S5 PolarHBondContact O-N 3.09Å; E3-S5 VanDerWaalsContact C-N 3.35Å; S5-A7 VanDerWaalsContact C-N 3.34Å; S5-A7 PolarHBondContact O-N 3.06Å; S5-R8 WeakPolarHBondContact O-CA 3.41Å; S5-R8 WeakPolarHBondContact O-CB 3.4Å; S5-R8 PolarHBondContact O-N 2.92Å; S5-E9 PolarHBondContact O-N 3.37Å
6D89Confident87.2Confident99 Ų99116.8 Ų116.853%0.52958%0.582SS.*Hα-helixtrans-60.6-43.7-179.5-63.6-16000111.5E2 R8 E9 L10E2-D6 PolarHBondContact O-N 2.87Å; E2-D6 VanDerWaalsContact O-N 3.1Å; D6-R8 VanDerWaalsContact C-N 3.29Å; D6-R8 PolarHBondContact O-N 3.08Å; D6-E9 PolarHBondContact O-N 3Å; D6-L10 WeakPolarHBondContact O-CB 3.49Å; D6-L10 PolarHBondContact O-N 3.25Å
7A93.1Very high87.5Confident47 Ų47116.7 Ų116.739%0.38858%0.58SS.*Hα-helixtrans-66.3-28.417600000113.1E3 S5 R11E3-A7 WeakPolarHBondContact O-CB 3.33Å; E3-A7 PolarHBondContact O-N 3.23Å; S5-A7 VanDerWaalsContact C-N 3.34Å; S5-A7 PolarHBondContact O-N 3.06Å; A7-R11 WeakPolarHBondContact O-CB 3.32Å; A7-R11 VanDerWaalsContact O-CG 3.23Å; A7-R11 WeakPolarHBondContact O-CG 3.23Å; A7-R11 PolarHBondContact O-N 3.37Å; A7-R11 PolarHBondContact O-NE 2.91Å; A7-R11 VanDerWaalsContact O-NE 3.08Å
8R93.4Very high87.8Confident189 Ų189115.6 Ų115.671%0.71357%0.571SS**Hα-helixtrans-74.4-44.6174.9-178.3-178.9178.3-178.2-1.2110.9A4 S5 D6 R11 G12A4-R8 WeakPolarHBondContact O-CB 3.4Å; A4-R8 PolarHBondContact O-N 3.36Å; S5-R8 WeakPolarHBondContact O-CA 3.41Å; S5-R8 WeakPolarHBondContact O-CB 3.4Å; S5-R8 PolarHBondContact O-N 2.92Å; D6-R8 VanDerWaalsContact C-N 3.29Å; D6-R8 PolarHBondContact O-N 3.08Å; R8-R11 PolarHBondContact O-N 2.98Å; R8-G12 PolarHBondContact O-N 2.97Å
9E94.2Very high88Confident112 Ų112112.7 Ų112.752%0.52356%0.558SS.*Hα-helixtrans-63.6-45.4177.7-71.1-177.1-166.900111.7S5 D6 R11 G12 K13S5-E9 PolarHBondContact O-N 3.37Å; D6-E9 PolarHBondContact O-N 3Å; E9-R11 PolarHBondContact O-N 3.28Å; E9-G12 WeakPolarHBondContact O-CA 3.46Å; E9-G12 PolarHBondContact O-N 3.37Å; E9-G12 VanDerWaalsContact O-N 3.09Å; E9-K13 PolarHBondContact O-N 3.01Å
10L94.6Very high88.2Confident103 Ų103112.5 Ų112.554%0.53956%0.555SS.*Hα-helixtrans-59.7-44.9176.2-178.261000111.7D6 G12 K13 L14D6-L10 WeakPolarHBondContact O-CB 3.49Å; D6-L10 PolarHBondContact O-N 3.25Å; L10-G12 VanDerWaalsContact C-N 3.27Å; L10-G12 PolarHBondContact O-N 3.09Å; L10-K13 PolarHBondContact O-N 3.45Å; L10-L14 HydrophobicContact CD1-CD1 4.36Å; L10-L14 HydrophobicContact CD1-CG 4.32Å; L10-L14 HydrophobicContact CG-CD1 4.13Å; L10-L14 WeakPolarHBondContact O-CG 3.32Å; L10-L14 PolarHBondContact O-N 3.41Å
11R94.7Very high88.3Confident167 Ų167111.1 Ų111.163%0.6355%0.553SS**Hα-helixtrans-60.2-37.6174.2-79.1-176.7-65.4172-0.2112.3A7 R8 E9 R15A7-R11 WeakPolarHBondContact O-CB 3.32Å; A7-R11 VanDerWaalsContact O-CG 3.23Å; A7-R11 WeakPolarHBondContact O-CG 3.23Å; A7-R11 PolarHBondContact O-N 3.37Å; A7-R11 PolarHBondContact O-NE 2.91Å; A7-R11 VanDerWaalsContact O-NE 3.08Å; R8-R11 PolarHBondContact O-N 2.98Å; E9-R11 PolarHBondContact O-N 3.28Å; R11-R15 WeakPolarHBondContact O-CB 3.36Å; R11-R15 PolarHBondContact O-N 3.01Å
12G95.3Very high89.7Confident40 Ų40100.8 Ų100.841%0.41250%0.503SS..Hα-helixtrans-61.3-50175.100000112.2R8 E9 L10 R15 Q16R8-G12 PolarHBondContact O-N 2.97Å; E9-G12 WeakPolarHBondContact O-CA 3.46Å; E9-G12 PolarHBondContact O-N 3.37Å; E9-G12 VanDerWaalsContact O-N 3.09Å; L10-G12 VanDerWaalsContact C-N 3.27Å; L10-G12 PolarHBondContact O-N 3.09Å; G12-R15 PolarHBondContact O-N 3.1Å; G12-Q16 PolarHBondContact O-N 2.98Å
13K95.5Very high90.7Very high128 Ų12896.3 Ų96.356%0.55749%0.489SS*.Hα-helixtrans-60-51.9178-69.5177.6-179174.70112E9 L10 R15 Q16 E17E9-K13 PolarHBondContact O-N 3.01Å; L10-K13 PolarHBondContact O-N 3.45Å; K13-R15 VanDerWaalsContact C-N 3.25Å; K13-R15 PolarHBondContact O-N 2.95Å; K13-Q16 WeakPolarHBondContact O-CB 3.12Å; K13-Q16 PolarHBondContact O-N 3.04Å; K13-Q16 VanDerWaalsContact O-N 3.1Å; K13-E17 PolarHBondContact O-N 2.92Å
14L96Very high91.6Very high97 Ų9791.5 Ų91.551%0.50848%0.479SS..Hα-helixtrans-59-38.7177.9-69174.1000112.1L10 F18L10-L14 HydrophobicContact CD1-CD1 4.36Å; L10-L14 HydrophobicContact CD1-CG 4.32Å; L10-L14 HydrophobicContact CG-CD1 4.13Å; L10-L14 WeakPolarHBondContact O-CG 3.32Å; L10-L14 PolarHBondContact O-N 3.41Å; L14-F18 VanDerWaalsContact O-CB 3.25Å; L14-F18 WeakPolarHBondContact O-CB 3.27Å; L14-F18 PolarHBondContact O-N 2.86Å
15R94.2Very high92.4Very high86 Ų8689.1 Ų89.133%0.32546%0.456SS..Hα-helixtrans-66.9-40177.8178.156.8175.7173.11111.8R11 G12 K13 L19 P50R11-R15 WeakPolarHBondContact O-CB 3.36Å; R11-R15 PolarHBondContact O-N 3.01Å; G12-R15 PolarHBondContact O-N 3.1Å; K13-R15 VanDerWaalsContact C-N 3.25Å; K13-R15 PolarHBondContact O-N 2.95Å; R15-L19 HydrophobicContact CG-CD1 4.26Å; R15-L19 WeakPolarHBondContact O-CG 3.25Å; R15-L19 PolarHBondContact O-N 3.05Å; R15-P50 PolarHBondContact NH1-O 3.27Å; R15-P50 PolarHBondContact NH2-O 3.3Å
16Q93.9Very high92.9Very high114 Ų11491 Ų9153%0.53346%0.455SS..Hα-helixtrans-62.8-54.1176.6179.2178.6-1400110.7G12 K13 F18 L19 E20G12-Q16 PolarHBondContact O-N 2.98Å; K13-Q16 WeakPolarHBondContact O-CB 3.12Å; K13-Q16 PolarHBondContact O-N 3.04Å; K13-Q16 VanDerWaalsContact O-N 3.1Å; Q16-F18 PolarHBondContact O-N 3.07Å; Q16-L19 PolarHBondContact O-N 3.4Å; Q16-E20 HydrophobicContact CG-CG 4.45Å; Q16-E20 VanDerWaalsContact CG-OE1 3.27Å; Q16-E20 WeakPolarHBondContact CG-OE1 3.28Å; Q16-E20 PolarHBondContact NE2-OE1 3.04Å; Q16-E20 WeakPolarHBondContact O-CG 3.5Å; Q16-E20 PolarHBondContact O-N 2.81Å
17E93.4Very high93.1Very high116 Ų11690.9 Ų90.954%0.54245%0.454SS..Hα-helixtrans-56-40.3178.5-70.6175.8-173.300111.9K13 E20 T21K13-E17 PolarHBondContact O-N 2.92Å; E17-E20 PolarHBondContact O-N 2.92Å; E17-T21 WeakPolarHBondContact O-CB 3.36Å; E17-T21 PolarHBondContact O-N 3.21Å; E17-T21 PolarHBondContact O-OG1 2.92Å
18F92.1Very high93.1Very high96 Ų9693 Ų9342%0.42145%0.452SS..Hα-helixtrans-64.3-43.1176.4178.3-105.2000112.8L14 Q16 T21 V22 F52L14-F18 VanDerWaalsContact O-CB 3.25Å; L14-F18 WeakPolarHBondContact O-CB 3.27Å; L14-F18 PolarHBondContact O-N 2.86Å; Q16-F18 PolarHBondContact O-N 3.07Å; F18-T21 PolarHBondContact O-N 3.47Å; F18-V22 HydrophobicContact CE1-CG2 4.29Å; F18-V22 HydrophobicContact CE2-CG2 4.2Å; F18-V22 HydrophobicContact CZ-CG2 4.06Å; F18-V22 VanDerWaalsContact O-CG2 3.28Å; F18-V22 WeakPolarHBondContact O-CG2 3.45Å; F18-V22 PolarHBondContact O-N 2.73Å; F18-F52 HydrophobicContact CD1-CE2 4.07Å; F18-F52 HydrophobicContact CD1-CZ 4.15Å; F18-F52 HydrophobicContact CE1-CD1 4.37Å; F18-F52 AromaticContact CE1-CD2 3.72Å; F18-F52 HydrophobicContact CE1-CD2 3.72Å; F18-F52 AromaticContact CE1-CE1 3.89Å; F18-F52 HydrophobicContact CE1-CE1 3.89Å; F18-F52 AromaticContact CE1-CE2 3.25Å; F18-F52 HydrophobicContact CE1-CE2 3.25Å; F18-F52 HydrophobicContact CE1-CG 4.3Å; F18-F52 AromaticContact CE1-CZ 3.32Å; F18-F52 HydrophobicContact CE1-CZ 3.32Å; F18-F52 HydrophobicContact CZ-CD1 4.23Å; F18-F52 HydrophobicContact CZ-CD2 4.29Å; F18-F52 AromaticContact CZ-CE1 3.87Å; F18-F52 HydrophobicContact CZ-CE1 3.87Å; F18-F52 HydrophobicContact CZ-CE2 4.04Å; F18-F52 HydrophobicContact CZ-CG 4.43Å; F18-F52 AromaticContact CZ-CZ 3.79Å; F18-F52 HydrophobicContact CZ-CZ 3.79Å
19L92.3Very high93.2Very high62 Ų6288 Ų8833%0.32544%0.437SS..Hα-helixtrans-69.1-37.3178.1-74175.9000112.2R15 Q16 V22 S23 F52R15-L19 HydrophobicContact CG-CD1 4.26Å; R15-L19 WeakPolarHBondContact O-CG 3.25Å; R15-L19 PolarHBondContact O-N 3.05Å; Q16-L19 PolarHBondContact O-N 3.4Å; L19-V22 PolarHBondContact O-N 2.92Å; L19-S23 WeakPolarHBondContact O-CB 3.41Å; L19-S23 PolarHBondContact O-N 3.43Å; L19-S23 PolarHBondContact O-OG 3.06Å; L19-F52 HydrophobicContact CD2-CE2 4.03Å; L19-F52 HydrophobicContact CD2-CZ 4.32Å
20E91.6Very high93.3Very high107 Ų10782.7 Ų82.750%0.541%0.412SS..Hα-helixtrans-62.7-46.2173.9-72.5172.6-175.400110.6Q16 E17 V22 S23 A24Q16-E20 HydrophobicContact CG-CG 4.45Å; Q16-E20 VanDerWaalsContact CG-OE1 3.27Å; Q16-E20 WeakPolarHBondContact CG-OE1 3.28Å; Q16-E20 PolarHBondContact NE2-OE1 3.04Å; Q16-E20 WeakPolarHBondContact O-CG 3.5Å; Q16-E20 PolarHBondContact O-N 2.81Å; E17-E20 PolarHBondContact O-N 2.92Å; E20-V22 PolarHBondContact O-N 2.93Å; E20-S23 WeakPolarHBondContact O-CB 3.43Å; E20-S23 PolarHBondContact O-N 3.46Å; E20-A24 PolarHBondContact O-N 3.48Å
21T90.4Very high93.4Very high84 Ų8478.9 Ų78.952%0.51539%0.393SS..Hα-helixtrans-58-49.6174.8-58.60000111.2E17 F18 S23 A24 L25E17-T21 WeakPolarHBondContact O-CB 3.36Å; E17-T21 PolarHBondContact O-N 3.21Å; E17-T21 PolarHBondContact O-OG1 2.92Å; F18-T21 PolarHBondContact O-N 3.47Å; T21-S23 VanDerWaalsContact C-N 3.26Å; T21-S23 PolarHBondContact O-N 3.04Å; T21-A24 WeakPolarHBondContact O-CB 3.44Å; T21-A24 PolarHBondContact O-N 3.24Å; T21-L25 WeakPolarHBondContact O-CG 3.48Å; T21-L25 PolarHBondContact O-N 3.43Å
22V91.1Very high93.5Very high12 Ų1271 Ų717%0.07336%0.363CS..Hα-helixtrans-63.6-35.6-179.81690000111.6F18 L19 E20 A24 L25 F45 F52F18-V22 HydrophobicContact CE1-CG2 4.29Å; F18-V22 HydrophobicContact CE2-CG2 4.2Å; F18-V22 HydrophobicContact CZ-CG2 4.06Å; F18-V22 VanDerWaalsContact O-CG2 3.28Å; F18-V22 WeakPolarHBondContact O-CG2 3.45Å; F18-V22 PolarHBondContact O-N 2.73Å; L19-V22 PolarHBondContact O-N 2.92Å; E20-V22 PolarHBondContact O-N 2.93Å; V22-A24 VanDerWaalsContact C-N 3.26Å; V22-A24 PolarHBondContact O-N 2.65Å; V22-L25 WeakPolarHBondContact O-CB 3.43Å; V22-L25 PolarHBondContact O-N 3.03Å; V22-L25 VanDerWaalsContact O-N 3.08Å; V22-F45 HydrophobicContact CG1-CE1 4.23Å; V22-F45 HydrophobicContact CG1-CZ 4.27Å; V22-F52 HydrophobicContact CB-CE1 4.1Å; V22-F52 HydrophobicContact CB-CZ 3.89Å; V22-F52 HydrophobicContact CG1-CE1 3.62Å; V22-F52 HydrophobicContact CG1-CZ 3.65Å; V22-F52 HydrophobicContact CG2-CE1 3.52Å; V22-F52 HydrophobicContact CG2-CZ 3.53Å
23S90Very high93.6Very high65 Ų6571.1 Ų71.146%0.45535%0.353SS..Hα-helixtrans-65.8-30.6175.2-57.30000111.9L19 E20 T21 L25 Y26L19-S23 WeakPolarHBondContact O-CB 3.41Å; L19-S23 PolarHBondContact O-N 3.43Å; L19-S23 PolarHBondContact O-OG 3.06Å; E20-S23 WeakPolarHBondContact O-CB 3.43Å; E20-S23 PolarHBondContact O-N 3.46Å; T21-S23 VanDerWaalsContact C-N 3.26Å; T21-S23 PolarHBondContact O-N 3.04Å; S23-L25 PolarHBondContact O-N 3.09Å; S23-Y26 WeakPolarHBondContact O-CD2 3.39Å
24A90.6Very high93.7Very high69 Ų6966.4 Ų66.457%0.5733%0.334SS*.Hα-helixtrans-72.9-13.1173.600000113.9E20 T21 V22E20-A24 PolarHBondContact O-N 3.48Å; T21-A24 WeakPolarHBondContact O-CB 3.44Å; T21-A24 PolarHBondContact O-N 3.24Å; V22-A24 VanDerWaalsContact C-N 3.26Å; V22-A24 PolarHBondContact O-N 2.65Å
25L92.5Very high93.6Very high20 Ų2069.4 Ų69.411%0.10534%0.34CS..THydrogen-bonded Turntrans-89.2-8.3-179.2-61.8174.9000113.9T21 V22 S23 D27 R28 F45 F82T21-L25 WeakPolarHBondContact O-CG 3.48Å; T21-L25 PolarHBondContact O-N 3.43Å; V22-L25 WeakPolarHBondContact O-CB 3.43Å; V22-L25 PolarHBondContact O-N 3.03Å; V22-L25 VanDerWaalsContact O-N 3.08Å; S23-L25 PolarHBondContact O-N 3.09Å; L25-D27 PolarHBondContact O-N 3.13Å; L25-R28 WeakPolarHBondContact O-CB 3.36Å; L25-R28 VanDerWaalsContact O-CG 3.28Å; L25-R28 WeakPolarHBondContact O-CG 3.4Å; L25-R28 PolarHBondContact O-N 3.08Å; L25-F45 HydrophobicContact CB-CD1 4.04Å; L25-F45 HydrophobicContact CB-CE1 4.35Å; L25-F45 WeakPolarHBondContact O-CD1 3.11Å; L25-F82 HydrophobicContact CB-CD1 4.04Å; L25-F82 HydrophobicContact CB-CE1 4.02Å; L25-F82 HydrophobicContact CD1-CD1 3.93Å; L25-F82 HydrophobicContact CD1-CD2 3.74Å; L25-F82 HydrophobicContact CD1-CE1 3.92Å; L25-F82 HydrophobicContact CD1-CE2 3.76Å; L25-F82 HydrophobicContact CD1-CG 3.82Å; L25-F82 HydrophobicContact CD1-CZ 3.85Å; L25-F82 HydrophobicContact CD2-CB 3.8Å; L25-F82 HydrophobicContact CD2-CD1 3.98Å; L25-F82 HydrophobicContact CD2-CG 3.87Å; L25-F82 HydrophobicContact CG-CD1 4.2Å; L25-F82 HydrophobicContact CG-CE1 4.42Å; L25-F82 HydrophobicContact CG-CG 4.32Å
26Y92.7Very high93.6Very high98 Ų9869.3 Ų69.338%0.38437%0.366SS..THydrogen-bonded Turntrans-54134.8175.5-75.7-66.9000111.2S23 R28 F45 V46 A47S23-Y26 WeakPolarHBondContact O-CD2 3.39Å; Y26-R28 PolarHBondContact O-N 3.38Å; Y26-F45 HydrophobicContact CD1-CE1 4.28Å; Y26-F45 HydrophobicContact CE1-CE1 4.44Å; Y26-V46 WeakPolarHBondContact CD1-O 3.11Å; Y26-V46 WeakPolarHBondContact CE1-O 3.46Å; Y26-A47 HydrophobicContact CE1-CB 4.08Å
27D93.6Very high93.6Very high97 Ų9767.5 Ų67.552%0.51936%0.359SS..THydrogen-bonded Turntrans59.918.7-176.2-60.7-58.9000114.8L25 E44 F45 K58L25-D27 PolarHBondContact O-N 3.13Å; D27-E44 WeakPolarHBondContact CA-OE1 3.03Å; D27-E44 WeakPolarHBondContact CB-OE1 3.47Å; D27-F45 WeakPolarHBondContact CA-O 3.48Å; D27-F45 PolarHBondContact N-O 3.36Å; D27-K58 IonicContact OD1-NZ 2.79Å; D27-K58 PolarHBondContact OD1-NZ 3.35Å
28R94Very high93.5Very high92 Ų9268.2 Ų68.235%0.34738%0.377SS..  trans-86.1147.5171.2-61.4-63.9-179.8177.8-3.4111.9L25 Y26 E44 F45L25-R28 WeakPolarHBondContact O-CB 3.36Å; L25-R28 VanDerWaalsContact O-CG 3.28Å; L25-R28 WeakPolarHBondContact O-CG 3.4Å; L25-R28 PolarHBondContact O-N 3.08Å; Y26-R28 PolarHBondContact O-N 3.38Å; R28-E44 WeakPolarHBondContact O-CA 3.23Å; R28-E44 WeakPolarHBondContact O-CG 3.06Å; R28-F45 PolarHBondContact O-N 3.25Å
29Q95.6Very high93.5Very high83 Ų8366.2 Ų66.239%0.38837%0.374SS..EExtended strand (participates in β ladder)trans-65139.5168.6-64.9-56.7-48.800110T43 E44 E83Q29-T43 PolarHBondContact OE1-O 2.97Å; Q29-E44 PolarHBondContact NE2-OE2 3.42Å; Q29-E83 PolarHBondContact O-N 3.14Å; Q29-E83 VanDerWaalsContact O-N 3.14Å
30A95.8Very high93.7Very high1 Ų166.1 Ų66.11%0.00838%0.377CS..EExtended strand (participates in β ladder)trans-139.2143.5-177.500000111.2T43 F57 I80 E81 F82A30-T43 HydrophobicContact CB-CG2 4.36Å; A30-T43 PolarHBondContact N-O 2.81Å; A30-T43 PolarHBondContact O-N 3.44Å; A30-T43 VanDerWaalsContact O-O 3.09Å; A30-F57 HydrophobicContact CB-CE1 4.37Å; A30-I80 HydrophobicContact CB-CG2 4.01Å; A30-E81 CarbonylContact C-O 3.48Å; A30-E81 WeakPolarHBondContact CA-O 3.18Å; A30-F82 HydrophobicContact CB-CD1 3.89Å; A30-F82 HydrophobicContact CB-CE1 3.98Å
31T96.8Very high93.9Very high23 Ų2361.1 Ų61.114%0.14135%0.354CS..EExtended strand (participates in β ladder)trans-106.4112.6170.9-59.90000108.6P40 I41 Q42 I80 E81T31-P40 HydrophobicContact CG2-CB 3.45Å; T31-P40 VanDerWaalsContact CG2-CB 3.45Å; T31-P40 HydrophobicContact CG2-CG 4.1Å; T31-I41 WeakPolarHBondContact CA-O 3.28Å; T31-Q42 PolarHBondContact OG1-NE2 3.14Å; T31-Q42 PolarHBondContact OG1-OE1 3.34Å; T31-I80 WeakPolarHBondContact O-CA 3.2Å; T31-E81 PolarHBondContact N-O 2.62Å; T31-E81 PolarHBondContact O-N 2.76Å
32V97Very high94.1Very high0 Ų061.4 Ų61.40%035%0.35CS..EExtended strand (participates in β ladder)trans-101123.4-177.1-176.20000110L34 I41 T43 F57 V77 I80V32-L34 HydrophobicContact CG1-CD2 3.61Å; V32-L34 HydrophobicContact CG1-CG 4.21Å; V32-I41 PolarHBondContact N-O 3.03Å; V32-I41 PolarHBondContact O-N 3.21Å; V32-T43 HydrophobicContact CG2-CG2 3.67Å; V32-F57 HydrophobicContact CG2-CD1 4.47Å; V32-F57 HydrophobicContact CG2-CE1 3.77Å; V32-F57 HydrophobicContact CG2-CE2 3.87Å; V32-F57 HydrophobicContact CG2-CZ 3.43Å; V32-F57 VanDerWaalsContact CG2-CZ 3.43Å; V32-V77 HydrophobicContact CG1-CG2 4.27Å; V32-I80 HydrophobicContact CG1-CG1 4.47Å; V32-I80 HydrophobicContact CG2-CG1 4.48Å; V32-I80 HydrophobicContact CG2-CG2 4.23Å
33H97.2Very high94.4Very high43 Ų4360.9 Ų60.920%0.19935%0.346CS..EExtended strand (participates in β ladder)trans-99.3117.1172.5-67.9-99.7000109.6V78 R79 E81H33-V78 HydrophobicContact CB-CB 4.23Å; H33-V78 PolarHBondContact O-N 3.46Å; H33-R79 HydrophobicContact CB-CG 3.79Å; H33-R79 PolarHBondContact CD2-NE 2.87Å; H33-R79 PolarHBondContact CE1-NH2 3.04Å; H33-R79 VanDerWaalsContact CE1-NH2 3.25Å; H33-R79 PolarHBondContact N-O 3.38Å; H33-R79 PolarHBondContact NE2-NE 3.34Å; H33-R79 PolarHBondContact NE2-NH2 3.43Å; H33-E81 IonicContact NE2-OE2 3.78Å
34L96.5Very high94.7Very high30 Ų3059 Ų5916%0.15733%0.331CS..EExtended strand (participates in β ladder)trans-101.7149.6178.6-58.8-175.6000112.1V32 L37 I41 F60 V72 D76 V77V32-L34 HydrophobicContact CG1-CD2 3.61Å; V32-L34 HydrophobicContact CG1-CG 4.21Å; L34-L37 HydrophobicContact CB-CD1 4.12Å; L34-L37 HydrophobicContact CB-CG 4.36Å; L34-L37 HydrophobicContact CD1-CD1 3.96Å; L34-L37 HydrophobicContact CG-CD1 4.46Å; L34-L37 PolarHBondContact O-N 2.82Å; L34-I41 HydrophobicContact CD1-CD1 3.75Å; L34-I41 HydrophobicContact CG-CD1 4.33Å; L34-F60 HydrophobicContact CD1-CZ 4.22Å; L34-V72 HydrophobicContact CD2-CG1 3.67Å; L34-D76 CarbonylContact C-O 3.58Å; L34-D76 WeakPolarHBondContact CA-O 3.49Å; L34-D76 HydrophobicContact CD2-CB 4.45Å; L34-D76 WeakPolarHBondContact CD2-O 3.32Å; L34-V77 HydrophobicContact CD2-CG2 3.85Å
35Y95.5Very high95Very high159 Ų15955.9 Ų55.962%0.62430%0.304SS*.THydrogen-bonded Turntrans-61.2137.1169.9-76.2-74.9000110.7L37 S75 D76 V78Y35-L37 VanDerWaalsContact C-N 3.25Å; Y35-L37 PolarHBondContact O-N 3.05Å; Y35-S75 WeakPolarHBondContact CD2-O 3.17Å; Y35-D76 PolarHBondContact N-O 2.78Å; Y35-V78 HydrophobicContact CD1-CG2 3.68Å; Y35-V78 HydrophobicContact CD2-CG2 3.92Å; Y35-V78 HydrophobicContact CE1-CG2 3.74Å; Y35-V78 HydrophobicContact CE2-CG2 3.95Å; Y35-V78 HydrophobicContact CG-CG2 3.78Å
36G93.8Very high95.2Very high85 Ų8557 Ų5788%0.87631%0.312SS*.THydrogen-bonded Turntrans80.4-5.3177.800000115.4
37L93.1Very high95.3Very high76 Ų7654 Ų5440%0.39831%0.307SS..  trans-105.4133.1172-61.8-174.5000110.6L34 Y35 I41L34-L37 HydrophobicContact CB-CD1 4.12Å; L34-L37 HydrophobicContact CB-CG 4.36Å; L34-L37 HydrophobicContact CD1-CD1 3.96Å; L34-L37 HydrophobicContact CG-CD1 4.46Å; L34-L37 PolarHBondContact O-N 2.82Å; Y35-L37 VanDerWaalsContact C-N 3.25Å; Y35-L37 PolarHBondContact O-N 3.05Å; L37-I41 HydrophobicContact CD1-CD1 3.92Å
38S91.2Very high95.4Very high130 Ų13050.5 Ų50.591%0.90929%0.29SS*.SBendtrans-81.9-21.6175.955.60000113.2
39C92.6Very high95.2Very high55 Ų5553.6 Ų53.637%0.37230%0.302SS..SBendtrans-107.3135.1-179.851.70000110.8P63C39-P63 WeakPolarHBondContact SG-CG 3.43Å
40P95.5Very high94.7Very high59 Ų5953.6 Ų53.638%0.38331%0.309SS..  trans-71.9155.3173.230.5-33.7000111.5T31T31-P40 HydrophobicContact CG2-CB 3.45Å; T31-P40 VanDerWaalsContact CG2-CB 3.45Å; T31-P40 HydrophobicContact CG2-CG 4.1Å
41I96.1Very high94.4Very high2 Ų259.2 Ų59.21%0.0134%0.338CS..EExtended strand (participates in β ladder)trans-104.8119.4-179.2-62.4176.6000109.4T31 V32 L34 L37 F60T31-I41 WeakPolarHBondContact CA-O 3.28Å; V32-I41 PolarHBondContact N-O 3.03Å; V32-I41 PolarHBondContact O-N 3.21Å; L34-I41 HydrophobicContact CD1-CD1 3.75Å; L34-I41 HydrophobicContact CG-CD1 4.33Å; L37-I41 HydrophobicContact CD1-CD1 3.92Å; I41-F60 HydrophobicContact CB-CE2 4.41Å; I41-F60 HydrophobicContact CB-CZ 4.27Å; I41-F60 HydrophobicContact CD1-CD1 4.42Å; I41-F60 HydrophobicContact CD1-CE1 3.44Å; I41-F60 VanDerWaalsContact CD1-CE1 3.44Å; I41-F60 HydrophobicContact CD1-CE2 4.31Å; I41-F60 HydrophobicContact CD1-CZ 3.37Å; I41-F60 HydrophobicContact CG1-CZ 4.39Å; I41-F60 HydrophobicContact CG2-CD1 3.99Å; I41-F60 HydrophobicContact CG2-CD2 3.83Å; I41-F60 HydrophobicContact CG2-CE1 3.91Å; I41-F60 HydrophobicContact CG2-CE2 3.72Å; I41-F60 HydrophobicContact CG2-CG 3.97Å; I41-F60 HydrophobicContact CG2-CZ 3.78Å
42Q95.8Very high94Very high91 Ų9159.1 Ų59.143%0.42534%0.336SS..EExtended strand (participates in β ladder)trans-78.2131.7170.4-65.2-59.2-31.100109.7T31 N61T31-Q42 PolarHBondContact OG1-NE2 3.14Å; T31-Q42 PolarHBondContact OG1-OE1 3.34Å; Q42-N61 PolarHBondContact O-N 3.29Å
43T96.9Very high93.9Very high1 Ų163.3 Ų63.31%0.00636%0.355CS..EExtended strand (participates in β ladder)trans-163.2177.5-175-162.80000111.3Q29 A30 V32 F57 K58 F60Q29-T43 PolarHBondContact OE1-O 2.97Å; A30-T43 HydrophobicContact CB-CG2 4.36Å; A30-T43 PolarHBondContact N-O 2.81Å; A30-T43 PolarHBondContact O-N 3.44Å; A30-T43 VanDerWaalsContact O-O 3.09Å; V32-T43 HydrophobicContact CG2-CG2 3.67Å; T43-F57 HydrophobicContact CG2-CB 4.08Å; T43-F57 HydrophobicContact CG2-CD1 3.35Å; T43-F57 HydrophobicContact CG2-CE1 3.82Å; T43-F57 HydrophobicContact CG2-CG 3.76Å; T43-F57 WeakPolarHBondContact OG1-CB 3.4Å; T43-K58 PolarHBondContact OG1-O 3.17Å; T43-F60 HydrophobicContact CG2-CD2 4.23Å
44E96.9Very high93.7Very high26 Ų2664.9 Ų64.912%0.12136%0.363CS..EExtended strand (participates in β ladder)trans-120.8130.8175.8-168.5-179.7147.700110.4D27 R28 Q29 F57 K58D27-E44 WeakPolarHBondContact CA-OE1 3.03Å; D27-E44 WeakPolarHBondContact CB-OE1 3.47Å; R28-E44 WeakPolarHBondContact O-CA 3.23Å; R28-E44 WeakPolarHBondContact O-CG 3.06Å; Q29-E44 PolarHBondContact NE2-OE2 3.42Å; E44-F57 CarbonylContact O-C 3.58Å; E44-F57 VanDerWaalsContact O-CA 3.25Å; E44-F57 WeakPolarHBondContact O-CA 3.16Å; E44-K58 HydrophobicContact CB-CG 3.87Å; E44-K58 VanDerWaalsContact CD-NZ 3.32Å; E44-K58 HydrophobicContact CG-CG 4.46Å; E44-K58 PolarHBondContact N-O 3.23Å; E44-K58 PolarHBondContact O-N 2.62Å; E44-K58 WeakPolarHBondContact OE1-CE 3.37Å; E44-K58 IonicContact OE1-NZ 2.62Å; E44-K58 PolarHBondContact OE1-NZ 2.97Å; E44-K58 WeakPolarHBondContact OE2-CE 3.49Å; E44-K58 IonicContact OE2-NZ 3.62Å
45F96.5Very high93.7Very high2 Ų264.4 Ų64.41%0.00936%0.359CS..EExtended strand (participates in β ladder)trans-77.2125.3-176.6179.3-113.7000111.6V22 L25 Y26 D27 R28 A47 C48 F55 F57 F82V22-F45 HydrophobicContact CG1-CE1 4.23Å; V22-F45 HydrophobicContact CG1-CZ 4.27Å; L25-F45 HydrophobicContact CB-CD1 4.04Å; L25-F45 HydrophobicContact CB-CE1 4.35Å; L25-F45 WeakPolarHBondContact O-CD1 3.11Å; Y26-F45 HydrophobicContact CD1-CE1 4.28Å; Y26-F45 HydrophobicContact CE1-CE1 4.44Å; D27-F45 WeakPolarHBondContact CA-O 3.48Å; D27-F45 PolarHBondContact N-O 3.36Å; R28-F45 PolarHBondContact O-N 3.25Å; F45-A47 VanDerWaalsContact CE2-O 3.23Å; F45-A47 WeakPolarHBondContact CE2-O 3.5Å; F45-C48 HydrophobicContact CE2-CB 4.09Å; F45-C48 HydrophobicContact CZ-CB 3.85Å; F45-F55 HydrophobicContact CE2-CD1 4.02Å; F45-F57 HydrophobicContact CB-CD1 4.34Å; F45-F57 HydrophobicContact CB-CE1 4.19Å; F45-F57 HydrophobicContact CD2-CD1 4.29Å; F45-F57 AromaticContact CD2-CE1 3.82Å; F45-F57 HydrophobicContact CD2-CE1 3.82Å; F45-F57 HydrophobicContact CD2-CZ 4.44Å; F45-F82 HydrophobicContact CB-CD1 4.45Å; F45-F82 HydrophobicContact CB-CE1 3.67Å; F45-F82 HydrophobicContact CD1-CE1 4.04Å; F45-F82 HydrophobicContact CD2-CE1 4.33Å; F45-F82 AromaticContact CG-CE1 3.76Å; F45-F82 HydrophobicContact CG-CE1 3.76Å; F45-F82 HydrophobicContact CG-CZ 4.33Å
46V96.4Very high93.8Very high45 Ų4558.2 Ų58.227%0.27334%0.341SS..EExtended strand (participates in β ladder)trans-114.1-39.1-173.7-179.80000112.2Y26 A56 K58Y26-V46 WeakPolarHBondContact CD1-O 3.11Å; Y26-V46 WeakPolarHBondContact CE1-O 3.46Å; V46-A56 HydrophobicContact CB-CB 4.44Å; V46-A56 PolarHBondContact N-O 2.95Å; V46-K58 HydrophobicContact CG2-CB 3.87Å; V46-K58 HydrophobicContact CG2-CD 3.74Å; V46-K58 HydrophobicContact CG2-CG 3.62Å
47A94.9Very high94Very high35 Ų3554.3 Ų54.329%0.28930%0.3SS..EExtended strand (participates in β ladder)trans-166.5163.5176.200000114.3Y26 F45 F55 A56Y26-A47 HydrophobicContact CE1-CB 4.08Å; F45-A47 VanDerWaalsContact CE2-O 3.23Å; F45-A47 WeakPolarHBondContact CE2-O 3.5Å; A47-F55 CarbonylContact O-C 3.59Å; A47-A56 HydrophobicContact CB-CB 4.14Å; A47-A56 PolarHBondContact N-O 3.17Å; A47-A56 PolarHBondContact O-N 3.4Å
48C94.6Very high94.2Very high23 Ų2353.3 Ų53.316%0.15529%0.292CS..EExtended strand (participates in β ladder)trans-139.7156.5164640000111F45 F52 H54 F55F45-C48 HydrophobicContact CE2-CB 4.09Å; F45-C48 HydrophobicContact CZ-CB 3.85Å; C48-F52 HydrophobicContact CB-CD1 4.25Å; C48-F52 HydrophobicContact CB-CE1 4.32Å; C48-F52 WeakPolarHBondContact SG-CE1 3.38Å; C48-H54 WeakPolarHBondContact CA-O 3.41Å; C48-H54 WeakPolarHBondContact CB-O 3.45Å; C48-F55 HydrophobicContact CB-CD1 4.22Å
49R90.4Very high94.4Very high156 Ų15650.6 Ų50.659%0.58927%0.267SS*.  trans-68.4151165-65.2-70.8-76.5-173.9-6.5109L51 F52 H54R49-L51 PolarHBondContact O-N 2.8Å; R49-F52 WeakPolarHBondContact O-CA 3.34Å; R49-F52 PolarHBondContact O-N 2.91Å; R49-H54 PolarHBondContact N-O 3.2Å
50P85.4Confident94.5Very high83 Ų8348.5 Ų48.554%0.53925%0.252SS..THydrogen-bonded Turntrans-53.5-32.7178.6-28.535.4000113.4R15 F52R15-P50 PolarHBondContact NH1-O 3.27Å; R15-P50 PolarHBondContact NH2-O 3.3Å; P50-F52 VanDerWaalsContact C-N 3.29Å; P50-F52 WeakPolarHBondContact O-CD2 3.5Å; P50-F52 WeakPolarHBondContact O-CE2 3.49Å; P50-F52 PolarHBondContact O-N 3.04Å
51L89.6Confident94.4Very high119 Ų11949.1 Ų49.162%0.62325%0.252SS*.THydrogen-bonded Turntrans-86.35178.7-60.9-179.2000114.1R49 E53R49-L51 PolarHBondContact O-N 2.8Å; L51-E53 HydrophobicContact CB-CG 3.97Å; L51-E53 WeakPolarHBondContact CD1-OE1 3.44Å; L51-E53 PolarHBondContact O-N 3.39Å
52F89Confident94.1Very high22 Ų2250.4 Ų50.410%0.09626%0.261CS..  trans57.530.5177.4-64.9-99.3000113.5F18 L19 V22 C48 R49 P50 H54 F55 K74F18-F52 HydrophobicContact CD1-CE2 4.07Å; F18-F52 HydrophobicContact CD1-CZ 4.15Å; F18-F52 HydrophobicContact CE1-CD1 4.37Å; F18-F52 AromaticContact CE1-CD2 3.72Å; F18-F52 HydrophobicContact CE1-CD2 3.72Å; F18-F52 AromaticContact CE1-CE1 3.89Å; F18-F52 HydrophobicContact CE1-CE1 3.89Å; F18-F52 AromaticContact CE1-CE2 3.25Å; F18-F52 HydrophobicContact CE1-CE2 3.25Å; F18-F52 HydrophobicContact CE1-CG 4.3Å; F18-F52 AromaticContact CE1-CZ 3.32Å; F18-F52 HydrophobicContact CE1-CZ 3.32Å; F18-F52 HydrophobicContact CZ-CD1 4.23Å; F18-F52 HydrophobicContact CZ-CD2 4.29Å; F18-F52 AromaticContact CZ-CE1 3.87Å; F18-F52 HydrophobicContact CZ-CE1 3.87Å; F18-F52 HydrophobicContact CZ-CE2 4.04Å; F18-F52 HydrophobicContact CZ-CG 4.43Å; F18-F52 AromaticContact CZ-CZ 3.79Å; F18-F52 HydrophobicContact CZ-CZ 3.79Å; L19-F52 HydrophobicContact CD2-CE2 4.03Å; L19-F52 HydrophobicContact CD2-CZ 4.32Å; V22-F52 HydrophobicContact CB-CE1 4.1Å; V22-F52 HydrophobicContact CB-CZ 3.89Å; V22-F52 HydrophobicContact CG1-CE1 3.62Å; V22-F52 HydrophobicContact CG1-CZ 3.65Å; V22-F52 HydrophobicContact CG2-CE1 3.52Å; V22-F52 HydrophobicContact CG2-CZ 3.53Å; C48-F52 HydrophobicContact CB-CD1 4.25Å; C48-F52 HydrophobicContact CB-CE1 4.32Å; C48-F52 WeakPolarHBondContact SG-CE1 3.38Å; R49-F52 WeakPolarHBondContact O-CA 3.34Å; R49-F52 PolarHBondContact O-N 2.91Å; P50-F52 VanDerWaalsContact C-N 3.29Å; P50-F52 WeakPolarHBondContact O-CD2 3.5Å; P50-F52 WeakPolarHBondContact O-CE2 3.49Å; P50-F52 PolarHBondContact O-N 3.04Å; F52-H54 VanDerWaalsContact C-N 3.31Å; F52-F55 HydrophobicContact CB-CZ 4.28Å; F52-F55 AromaticContact CD1-CE1 3.88Å; F52-F55 HydrophobicContact CD1-CE1 3.88Å; F52-F55 HydrophobicContact CD1-CZ 4.35Å; F52-K74 WeakPolarHBondContact O-CB 3.49Å; F52-K74 WeakPolarHBondContact O-CD 3.35Å
53E93.1Very high93.7Very high87 Ų8750.4 Ų50.441%0.40727%0.269SS..SBendtrans-74.1-28.5178.1-61.7149.7163.100111.5L51 K74L51-E53 HydrophobicContact CB-CG 3.97Å; L51-E53 WeakPolarHBondContact CD1-OE1 3.44Å; L51-E53 PolarHBondContact O-N 3.39Å; E53-K74 PolarHBondContact O-N 2.89Å
54H94.9Very high93.3Very high76 Ų7655.2 Ų55.235%0.35231%0.309SS..EExtended strand (participates in β ladder)trans-142.9144.1-176.8-57.891.9000110.7C48 R49 F52 I71 V72C48-H54 WeakPolarHBondContact CA-O 3.41Å; C48-H54 WeakPolarHBondContact CB-O 3.45Å; R49-H54 PolarHBondContact N-O 3.2Å; F52-H54 VanDerWaalsContact C-N 3.31Å; H54-I71 HydrophobicContact CB-CG2 4Å; H54-V72 CarbonylContact C-O 3.59Å; H54-V72 WeakPolarHBondContact CA-O 2.81Å
55F96.4Very high93.1Very high21 Ų2155.7 Ų55.79%0.09232%0.321CS..EExtended strand (participates in β ladder)trans-119.8128.1175.4-54.1-89.6000108.8F45 A47 C48 F52 F57 I71 V72 K74 V77 I80F45-F55 HydrophobicContact CE2-CD1 4.02Å; A47-F55 CarbonylContact O-C 3.59Å; C48-F55 HydrophobicContact CB-CD1 4.22Å; F52-F55 HydrophobicContact CB-CZ 4.28Å; F52-F55 AromaticContact CD1-CE1 3.88Å; F52-F55 HydrophobicContact CD1-CE1 3.88Å; F52-F55 HydrophobicContact CD1-CZ 4.35Å; F55-F57 HydrophobicContact CB-CD2 4.15Å; F55-F57 HydrophobicContact CB-CE2 3.38Å; F55-F57 HydrophobicContact CB-CZ 3.63Å; F55-F57 HydrophobicContact CG-CE2 4.35Å; F55-F57 HydrophobicContact CG-CZ 4.32Å; F55-I71 CarbonylContact O-C 3.52Å; F55-I71 WeakPolarHBondContact O-CA 3.25Å; F55-V72 PolarHBondContact N-O 3.34Å; F55-V72 PolarHBondContact O-N 2.97Å; F55-K74 HydrophobicContact CE2-CB 4.23Å; F55-V77 HydrophobicContact CD2-CG2 4.35Å; F55-V77 HydrophobicContact CE2-CG2 4.46Å; F55-I80 HydrophobicContact CD1-CD1 3.65Å; F55-I80 HydrophobicContact CD2-CD1 4.14Å; F55-I80 HydrophobicContact CE1-CD1 3.61Å; F55-I80 HydrophobicContact CE2-CD1 4.12Å; F55-I80 HydrophobicContact CG-CD1 3.93Å; F55-I80 HydrophobicContact CZ-CD1 3.86Å
56A97.2Very high92.9Very high28 Ų2861.9 Ų61.923%0.23135%0.35CS..EExtended strand (participates in β ladder)trans-98131.917300000109V46 A47 A70V46-A56 HydrophobicContact CB-CB 4.44Å; V46-A56 PolarHBondContact N-O 2.95Å; A47-A56 HydrophobicContact CB-CB 4.14Å; A47-A56 PolarHBondContact N-O 3.17Å; A47-A56 PolarHBondContact O-N 3.4Å; A56-A70 WeakPolarHBondContact CA-O 3.2Å
57F97.2Very high92.9Very high3 Ų364 Ų641%0.01336%0.359CS..EExtended strand (participates in β ladder)trans-131155.6-178.3-64.3-72.6000111.1A30 V32 T43 E44 F45 F55 F60 R69 A70 V72 I80A30-F57 HydrophobicContact CB-CE1 4.37Å; V32-F57 HydrophobicContact CG2-CD1 4.47Å; V32-F57 HydrophobicContact CG2-CE1 3.77Å; V32-F57 HydrophobicContact CG2-CE2 3.87Å; V32-F57 HydrophobicContact CG2-CZ 3.43Å; V32-F57 VanDerWaalsContact CG2-CZ 3.43Å; T43-F57 HydrophobicContact CG2-CB 4.08Å; T43-F57 HydrophobicContact CG2-CD1 3.35Å; T43-F57 HydrophobicContact CG2-CE1 3.82Å; T43-F57 HydrophobicContact CG2-CG 3.76Å; T43-F57 WeakPolarHBondContact OG1-CB 3.4Å; E44-F57 CarbonylContact O-C 3.58Å; E44-F57 VanDerWaalsContact O-CA 3.25Å; E44-F57 WeakPolarHBondContact O-CA 3.16Å; F45-F57 HydrophobicContact CB-CD1 4.34Å; F45-F57 HydrophobicContact CB-CE1 4.19Å; F45-F57 HydrophobicContact CD2-CD1 4.29Å; F45-F57 AromaticContact CD2-CE1 3.82Å; F45-F57 HydrophobicContact CD2-CE1 3.82Å; F45-F57 HydrophobicContact CD2-CZ 4.44Å; F55-F57 HydrophobicContact CB-CD2 4.15Å; F55-F57 HydrophobicContact CB-CE2 3.38Å; F55-F57 HydrophobicContact CB-CZ 3.63Å; F55-F57 HydrophobicContact CG-CE2 4.35Å; F55-F57 HydrophobicContact CG-CZ 4.32Å; F57-F60 HydrophobicContact CB-CD2 3.98Å; F57-F60 HydrophobicContact CD2-CD2 4.23Å; F57-F60 HydrophobicContact CD2-CE2 4.15Å; F57-F60 HydrophobicContact CG-CD2 4.31Å; F57-R69 WeakPolarHBondContact O-CA 3.35Å; F57-A70 PolarHBondContact N-O 3.39Å; F57-A70 PolarHBondContact O-N 2.74Å; F57-V72 HydrophobicContact CD2-CB 4.3Å; F57-V72 HydrophobicContact CD2-CG2 3.8Å; F57-V72 HydrophobicContact CE2-CB 4.06Å; F57-V72 HydrophobicContact CE2-CG2 3.95Å; F57-I80 HydrophobicContact CZ-CD1 4.09Å
58K97Very high92.9Very high55 Ų5566.9 Ų66.924%0.23938%0.377CS..EExtended strand (participates in β ladder)trans-121.8158.6168.367.5-171.8-176.8-159.60111D27 T43 E44 V46 F60 S68D27-K58 IonicContact OD1-NZ 2.79Å; D27-K58 PolarHBondContact OD1-NZ 3.35Å; T43-K58 PolarHBondContact OG1-O 3.17Å; E44-K58 HydrophobicContact CB-CG 3.87Å; E44-K58 VanDerWaalsContact CD-NZ 3.32Å; E44-K58 HydrophobicContact CG-CG 4.46Å; E44-K58 PolarHBondContact N-O 3.23Å; E44-K58 PolarHBondContact O-N 2.62Å; E44-K58 WeakPolarHBondContact OE1-CE 3.37Å; E44-K58 IonicContact OE1-NZ 2.62Å; E44-K58 PolarHBondContact OE1-NZ 2.97Å; E44-K58 WeakPolarHBondContact OE2-CE 3.49Å; E44-K58 IonicContact OE2-NZ 3.62Å; V46-K58 HydrophobicContact CG2-CB 3.87Å; V46-K58 HydrophobicContact CG2-CD 3.74Å; V46-K58 HydrophobicContact CG2-CG 3.62Å; K58-F60 VanDerWaalsContact C-N 3.33Å; K58-F60 PolarHBondContact O-N 2.86Å; K58-S68 VanDerWaalsContact CA-O 3.32Å; K58-S68 WeakPolarHBondContact CA-O 3.38Å; K58-S68 WeakPolarHBondContact CB-O 3.45Å
59N96Very high93Very high73 Ų7375 Ų7539%0.3941%0.405SS..EExtended strand (participates in β ladder)trans53.748.6-175.4-56.6-38.2000112.3N61 L67 S68N59-N61 PolarHBondContact O-N 2.85Å; N59-L67 CarbonylContact C-O 3.54Å; N59-S68 PolarHBondContact N-O 2.88Å
60F95.4Very high93.2Very high12 Ų1268.4 Ų68.45%0.05338%0.383CS..EExtended strand (participates in β ladder)trans-82.5102.3-172.9-170-89.6000110.3L34 I41 T43 F57 K58 S62 L67 A70 V72L34-F60 HydrophobicContact CD1-CZ 4.22Å; I41-F60 HydrophobicContact CB-CE2 4.41Å; I41-F60 HydrophobicContact CB-CZ 4.27Å; I41-F60 HydrophobicContact CD1-CD1 4.42Å; I41-F60 HydrophobicContact CD1-CE1 3.44Å; I41-F60 VanDerWaalsContact CD1-CE1 3.44Å; I41-F60 HydrophobicContact CD1-CE2 4.31Å; I41-F60 HydrophobicContact CD1-CZ 3.37Å; I41-F60 HydrophobicContact CG1-CZ 4.39Å; I41-F60 HydrophobicContact CG2-CD1 3.99Å; I41-F60 HydrophobicContact CG2-CD2 3.83Å; I41-F60 HydrophobicContact CG2-CE1 3.91Å; I41-F60 HydrophobicContact CG2-CE2 3.72Å; I41-F60 HydrophobicContact CG2-CG 3.97Å; I41-F60 HydrophobicContact CG2-CZ 3.78Å; T43-F60 HydrophobicContact CG2-CD2 4.23Å; F57-F60 HydrophobicContact CB-CD2 3.98Å; F57-F60 HydrophobicContact CD2-CD2 4.23Å; F57-F60 HydrophobicContact CD2-CE2 4.15Å; F57-F60 HydrophobicContact CG-CD2 4.31Å; K58-F60 VanDerWaalsContact C-N 3.33Å; K58-F60 PolarHBondContact O-N 2.86Å; F60-S62 PolarHBondContact O-N 3.2Å; F60-L67 HydrophobicContact CB-CB 4.3Å; F60-L67 HydrophobicContact CD1-CD1 4.28Å; F60-L67 PolarHBondContact N-O 2.91Å; F60-L67 PolarHBondContact O-N 2.8Å; F60-A70 HydrophobicContact CB-CB 3.84Å; F60-A70 HydrophobicContact CD1-CB 4.03Å; F60-A70 HydrophobicContact CD2-CB 3.92Å; F60-A70 HydrophobicContact CE2-CB 4.46Å; F60-A70 HydrophobicContact CG-CB 3.67Å; F60-V72 HydrophobicContact CE2-CG2 3.71Å; F60-V72 HydrophobicContact CZ-CG2 3.88Å
61N92.3Very high93.7Very high72 Ų7270.7 Ų70.739%0.38539%0.39SS..EExtended strand (participates in β ladder)trans-92.583.4-171.4-67.4-28.9000111.8Q42 N59 Q66Q42-N61 PolarHBondContact O-N 3.29Å; N59-N61 PolarHBondContact O-N 2.85Å; N61-Q66 WeakPolarHBondContact OD1-CG 2.93Å
62S89.8Confident94Very high28 Ų2865.5 Ų65.520%0.19636%0.363CS..EExtended strand (participates in β ladder)trans-83.4163.217879.50000112.1F60 A64 G65F60-S62 PolarHBondContact O-N 3.2Å; S62-A64 PolarHBondContact O-N 2.85Å; S62-A64 VanDerWaalsContact O-N 3.14Å; S62-A64 PolarHBondContact OG-N 2.79Å; S62-G65 PolarHBondContact N-O 2.91Å; S62-G65 CarbonylContact O-C 3.58Å; S62-G65 PolarHBondContact O-N 2.96Å; S62-G65 VanDerWaalsContact O-O 3.12Å; S62-G65 PolarHBondContact OG-N 2.81Å; S62-G65 PolarHBondContact OG-O 2.79Å
63P88.3Confident94.4Very high91 Ų9170.7 Ų70.759%0.59138%0.382SS*.THydrogen-bonded Turntrans-58.7-22.7170.8-28.138.3000114.6C39 G65C39-P63 WeakPolarHBondContact SG-CG 3.43Å; P63-G65 VanDerWaalsContact C-N 3.28Å
64A88.3Confident94.5Very high102 Ų10272.7 Ų72.784%0.84339%0.389SS*.THydrogen-bonded Turntrans-82.7-6.717700000113S62S62-A64 PolarHBondContact O-N 2.85Å; S62-A64 VanDerWaalsContact O-N 3.14Å; S62-A64 PolarHBondContact OG-N 2.79Å
65G91.7Very high94.6Very high37 Ų3772.9 Ų72.938%0.38140%0.399SS..EExtended strand (participates in β ladder)trans129176.6-175.700000113S62 P63S62-G65 PolarHBondContact N-O 2.91Å; S62-G65 CarbonylContact O-C 3.58Å; S62-G65 PolarHBondContact O-N 2.96Å; S62-G65 VanDerWaalsContact O-O 3.12Å; S62-G65 PolarHBondContact OG-N 2.81Å; S62-G65 PolarHBondContact OG-O 2.79Å; P63-G65 VanDerWaalsContact C-N 3.28Å
66Q93.6Very high94.6Very high132 Ų13274.2 Ų74.262%0.61741%0.407SS*.EExtended strand (participates in β ladder)trans-85127.7179.2178.3170.423.700111.1N61N61-Q66 WeakPolarHBondContact OD1-CG 2.93Å
67L95.1Very high94.5Very high88 Ų8873.8 Ų73.846%0.46140%0.402SS..EExtended strand (participates in β ladder)trans-105132.9169.9-59.5174.4000109.3N59 F60 R69N59-L67 CarbonylContact C-O 3.54Å; F60-L67 HydrophobicContact CB-CB 4.3Å; F60-L67 HydrophobicContact CD1-CD1 4.28Å; F60-L67 PolarHBondContact N-O 2.91Å; F60-L67 PolarHBondContact O-N 2.8Å; L67-R69 VanDerWaalsContact C-N 3.26Å; L67-R69 PolarHBondContact O-N 3.23Å
68S95.9Very high94.5Very high96 Ų9677.3 Ų77.367%0.67142%0.423SS*.EExtended strand (participates in β ladder)trans-63.3-35.717760.10000111.9K58 N59K58-S68 VanDerWaalsContact CA-O 3.32Å; K58-S68 WeakPolarHBondContact CA-O 3.38Å; K58-S68 WeakPolarHBondContact CB-O 3.45Å; N59-S68 PolarHBondContact N-O 2.88Å
69R96.1Very high94.5Very high195 Ų19580.6 Ų80.674%0.73643%0.434SS*.EExtended strand (participates in β ladder)trans-144.2149.6175.6-63.8-172.4177.3-150.8-2.4111F57 L67F57-R69 WeakPolarHBondContact O-CA 3.35Å; L67-R69 VanDerWaalsContact C-N 3.26Å; L67-R69 PolarHBondContact O-N 3.23Å
70A95.9Very high94.5Very high16 Ų1678.8 Ų78.813%0.13242%0.424CS..EExtended strand (participates in β ladder)trans-143148.4174.400000111.2A56 F57 F60A56-A70 WeakPolarHBondContact CA-O 3.2Å; F57-A70 PolarHBondContact N-O 3.39Å; F57-A70 PolarHBondContact O-N 2.74Å; F60-A70 HydrophobicContact CB-CB 3.84Å; F60-A70 HydrophobicContact CD1-CB 4.03Å; F60-A70 HydrophobicContact CD2-CB 3.92Å; F60-A70 HydrophobicContact CE2-CB 4.46Å; F60-A70 HydrophobicContact CG-CB 3.67Å
71I96Very high94.5Very high132 Ų13282 Ų8268%0.67744%0.439SS*.EExtended strand (participates in β ladder)trans-112.7122.9164.2-60.6177.2000107H54 F55H54-I71 HydrophobicContact CB-CG2 4Å; F55-I71 CarbonylContact O-C 3.52Å; F55-I71 WeakPolarHBondContact O-CA 3.25Å
72V95.6Very high94.6Very high9 Ų981.2 Ų81.26%0.05543%0.433CS..EExtended strand (participates in β ladder)trans-113.1130.8-179.4-177.90000108.7L34 H54 F55 F57 F60 D76 V77L34-V72 HydrophobicContact CD2-CG1 3.67Å; H54-V72 CarbonylContact C-O 3.59Å; H54-V72 WeakPolarHBondContact CA-O 2.81Å; F55-V72 PolarHBondContact N-O 3.34Å; F55-V72 PolarHBondContact O-N 2.97Å; F57-V72 HydrophobicContact CD2-CB 4.3Å; F57-V72 HydrophobicContact CD2-CG2 3.8Å; F57-V72 HydrophobicContact CE2-CB 4.06Å; F57-V72 HydrophobicContact CE2-CG2 3.95Å; F60-V72 HydrophobicContact CE2-CG2 3.71Å; F60-V72 HydrophobicContact CZ-CG2 3.88Å; V72-D76 HydrophobicContact CG1-CB 4.29Å; V72-V77 HydrophobicContact CG1-CG2 3.45Å; V72-V77 VanDerWaalsContact CG1-CG2 3.45Å
73R96.3Very high94.4Very high131 Ų13186.5 Ų86.549%0.49445%0.454SS..EExtended strand (participates in β ladder)trans-79.9147.9177.3-53.7173.5-64.3179.15.4109.6S75 D76R73-S75 PolarHBondContact O-N 2.86Å; R73-S75 VanDerWaalsContact O-N 3.17Å; R73-D76 WeakPolarHBondContact CB-OD2 3.33Å; R73-D76 IonicContact CZ-OD1 3.56Å; R73-D76 IonicContact CZ-OD2 3.52Å; R73-D76 IonicContact NE-OD1 3.55Å; R73-D76 IonicContact NE-OD2 2.85Å; R73-D76 PolarHBondContact NE-OD2 3.31Å; R73-D76 IonicContact NH2-OD1 2.78Å; R73-D76 PolarHBondContact NH2-OD1 2.85Å; R73-D76 IonicContact NH2-OD2 3.31Å; R73-D76 PolarHBondContact NH2-OD2 2.97Å; R73-D76 WeakPolarHBondContact O-CB 3.33Å; R73-D76 PolarHBondContact O-N 2.84Å
74K95.9Very high94.1Very high129 Ų12987.5 Ų87.556%0.56145%0.453SS*.G310 helixtrans-52.9-37.6174-175.7-175.7177-179.40113F52 E53 F55 D76 V77F52-K74 WeakPolarHBondContact O-CB 3.49Å; F52-K74 WeakPolarHBondContact O-CD 3.35Å; E53-K74 PolarHBondContact O-N 2.89Å; F55-K74 HydrophobicContact CE2-CB 4.23Å; K74-D76 PolarHBondContact O-N 3.42Å; K74-V77 PolarHBondContact O-N 3.22Å
75S96.3Very high93.1Very high81 Ų8185.2 Ų85.257%0.56643%0.43SS*.G310 helixtrans-63.2-21.9179.256.90000113.9Y35 R73Y35-S75 WeakPolarHBondContact CD2-O 3.17Å; R73-S75 PolarHBondContact O-N 2.86Å; R73-S75 VanDerWaalsContact O-N 3.17Å
76D96.1Very high91.7Very high48 Ų4892.9 Ų92.926%0.25745%0.453SS..G310 helixtrans-90.1-13.7-178.9-53-35.5000111.5L34 Y35 V72 R73 K74L34-D76 CarbonylContact C-O 3.58Å; L34-D76 WeakPolarHBondContact CA-O 3.49Å; L34-D76 HydrophobicContact CD2-CB 4.45Å; L34-D76 WeakPolarHBondContact CD2-O 3.32Å; Y35-D76 PolarHBondContact N-O 2.78Å; V72-D76 HydrophobicContact CG1-CB 4.29Å; R73-D76 WeakPolarHBondContact CB-OD2 3.33Å; R73-D76 IonicContact CZ-OD1 3.56Å; R73-D76 IonicContact CZ-OD2 3.52Å; R73-D76 IonicContact NE-OD1 3.55Å; R73-D76 IonicContact NE-OD2 2.85Å; R73-D76 PolarHBondContact NE-OD2 3.31Å; R73-D76 IonicContact NH2-OD1 2.78Å; R73-D76 PolarHBondContact NH2-OD1 2.85Å; R73-D76 IonicContact NH2-OD2 3.31Å; R73-D76 PolarHBondContact NH2-OD2 2.97Å; R73-D76 WeakPolarHBondContact O-CB 3.33Å; R73-D76 PolarHBondContact O-N 2.84Å; K74-D76 PolarHBondContact O-N 3.42Å
77V96.4Very high90Very high19 Ų1996.3 Ų96.312%0.11546%0.462CS..EExtended strand (participates in β ladder)trans-99.3128.8-172.4177.60000110.8V32 L34 F55 V72 K74 I80V32-V77 HydrophobicContact CG1-CG2 4.27Å; L34-V77 HydrophobicContact CD2-CG2 3.85Å; F55-V77 HydrophobicContact CD2-CG2 4.35Å; F55-V77 HydrophobicContact CE2-CG2 4.46Å; V72-V77 HydrophobicContact CG1-CG2 3.45Å; V72-V77 VanDerWaalsContact CG1-CG2 3.45Å; K74-V77 PolarHBondContact O-N 3.22Å; V77-I80 HydrophobicContact CG1-CD1 4.16Å; V77-I80 HydrophobicContact CG1-CG1 3.64Å
78V96.6Very high87.9Confident78 Ų7897.1 Ų97.147%0.47347%0.467SS..EExtended strand (participates in β ladder)trans-81.7-50.7168.3-178.50000110H33 Y35H33-V78 HydrophobicContact CB-CB 4.23Å; H33-V78 PolarHBondContact O-N 3.46Å; Y35-V78 HydrophobicContact CD1-CG2 3.68Å; Y35-V78 HydrophobicContact CD2-CG2 3.92Å; Y35-V78 HydrophobicContact CE1-CG2 3.74Å; Y35-V78 HydrophobicContact CE2-CG2 3.95Å; Y35-V78 HydrophobicContact CG-CG2 3.78Å
79R96.2Very high85.9Confident124 Ų124101.2 Ų101.247%0.46848%0.475SS..EExtended strand (participates in β ladder)trans-160.4159.9178.862.7-179.2-170147.99.2110.9H33 E81H33-R79 HydrophobicContact CB-CG 3.79Å; H33-R79 PolarHBondContact CD2-NE 2.87Å; H33-R79 PolarHBondContact CE1-NH2 3.04Å; H33-R79 VanDerWaalsContact CE1-NH2 3.25Å; H33-R79 PolarHBondContact N-O 3.38Å; H33-R79 PolarHBondContact NE2-NE 3.34Å; H33-R79 PolarHBondContact NE2-NH2 3.43Å; R79-E81 IonicContact CZ-OE1 2.84Å; R79-E81 IonicContact NE-OE1 3.7Å; R79-E81 IonicContact NH1-OE1 2.62Å; R79-E81 PolarHBondContact NH1-OE1 2.96Å; R79-E81 IonicContact NH2-OE1 2.81Å; R79-E81 PolarHBondContact NH2-OE1 3.27Å; R79-E81 IonicContact NH2-OE2 3.75Å
80I96.4Very high83.8Confident35 Ų3598 Ų9818%0.17947%0.473CS..EExtended strand (participates in β ladder)trans-127129.3172.5-52.6168.6000107.1A30 T31 V32 F55 F57 V77 F82A30-I80 HydrophobicContact CB-CG2 4.01Å; T31-I80 WeakPolarHBondContact O-CA 3.2Å; V32-I80 HydrophobicContact CG1-CG1 4.47Å; V32-I80 HydrophobicContact CG2-CG1 4.48Å; V32-I80 HydrophobicContact CG2-CG2 4.23Å; F55-I80 HydrophobicContact CD1-CD1 3.65Å; F55-I80 HydrophobicContact CD2-CD1 4.14Å; F55-I80 HydrophobicContact CE1-CD1 3.61Å; F55-I80 HydrophobicContact CE2-CD1 4.12Å; F55-I80 HydrophobicContact CG-CD1 3.93Å; F55-I80 HydrophobicContact CZ-CD1 3.86Å; F57-I80 HydrophobicContact CZ-CD1 4.09Å; V77-I80 HydrophobicContact CG1-CD1 4.16Å; V77-I80 HydrophobicContact CG1-CG1 3.64Å; I80-F82 HydrophobicContact CB-CE2 3.91Å; I80-F82 HydrophobicContact CB-CZ 4.31Å; I80-F82 HydrophobicContact CG2-CD2 4.04Å; I80-F82 HydrophobicContact CG2-CE1 4.18Å; I80-F82 HydrophobicContact CG2-CE2 3.43Å; I80-F82 VanDerWaalsContact CG2-CE2 3.43Å; I80-F82 HydrophobicContact CG2-CZ 3.52Å
81E96.1Very high81.7Confident78 Ų78104 Ų10436%0.36450%0.502SS..EExtended strand (participates in β ladder)trans-108.3137.3174-54.7-179.8148.600108.4A30 T31 H33 R79A30-E81 CarbonylContact C-O 3.48Å; A30-E81 WeakPolarHBondContact CA-O 3.18Å; T31-E81 PolarHBondContact N-O 2.62Å; T31-E81 PolarHBondContact O-N 2.76Å; H33-E81 IonicContact NE2-OE2 3.78Å; R79-E81 IonicContact CZ-OE1 2.84Å; R79-E81 IonicContact NE-OE1 3.7Å; R79-E81 IonicContact NH1-OE1 2.62Å; R79-E81 PolarHBondContact NH1-OE1 2.96Å; R79-E81 IonicContact NH2-OE1 2.81Å; R79-E81 PolarHBondContact NH2-OE1 3.27Å; R79-E81 IonicContact NH2-OE2 3.75Å
82F94.5Very high79.7Confident56 Ų56107.2 Ų107.225%0.24651%0.512CS..EExtended strand (participates in β ladder)trans-117.6143.4-179.8-65.5-93.8000109.7L25 A30 F45 I80 I84L25-F82 HydrophobicContact CB-CD1 4.04Å; L25-F82 HydrophobicContact CB-CE1 4.02Å; L25-F82 HydrophobicContact CD1-CD1 3.93Å; L25-F82 HydrophobicContact CD1-CD2 3.74Å; L25-F82 HydrophobicContact CD1-CE1 3.92Å; L25-F82 HydrophobicContact CD1-CE2 3.76Å; L25-F82 HydrophobicContact CD1-CG 3.82Å; L25-F82 HydrophobicContact CD1-CZ 3.85Å; L25-F82 HydrophobicContact CD2-CB 3.8Å; L25-F82 HydrophobicContact CD2-CD1 3.98Å; L25-F82 HydrophobicContact CD2-CG 3.87Å; L25-F82 HydrophobicContact CG-CD1 4.2Å; L25-F82 HydrophobicContact CG-CE1 4.42Å; L25-F82 HydrophobicContact CG-CG 4.32Å; A30-F82 HydrophobicContact CB-CD1 3.89Å; A30-F82 HydrophobicContact CB-CE1 3.98Å; F45-F82 HydrophobicContact CB-CD1 4.45Å; F45-F82 HydrophobicContact CB-CE1 3.67Å; F45-F82 HydrophobicContact CD1-CE1 4.04Å; F45-F82 HydrophobicContact CD2-CE1 4.33Å; F45-F82 AromaticContact CG-CE1 3.76Å; F45-F82 HydrophobicContact CG-CE1 3.76Å; F45-F82 HydrophobicContact CG-CZ 4.33Å; I80-F82 HydrophobicContact CB-CE2 3.91Å; I80-F82 HydrophobicContact CB-CZ 4.31Å; I80-F82 HydrophobicContact CG2-CD2 4.04Å; I80-F82 HydrophobicContact CG2-CE1 4.18Å; I80-F82 HydrophobicContact CG2-CE2 3.43Å; I80-F82 VanDerWaalsContact CG2-CE2 3.43Å; I80-F82 HydrophobicContact CG2-CZ 3.52Å; F82-I84 PolarHBondContact O-N 2.96Å
83E85.4Confident77.5Confident140 Ų140115.1 Ų115.165%0.65455%0.548SS*.  trans-77.6107.4167.6-168.3174.8-172.900108.9Q29Q29-E83 PolarHBondContact O-N 3.14Å; Q29-E83 VanDerWaalsContact O-N 3.14Å
84I81.5Confident74.9Confident111 Ų111116.3 Ų116.357%0.56956%0.564SS**  trans-95.8122.4178.1-56176.9000107.5F82 F86F82-I84 PolarHBondContact O-N 2.96Å; I84-F86 PolarHBondContact O-N 2.82Å; I84-F86 VanDerWaalsContact O-N 3.13Å
85P68Low72.5Confident54 Ų54123 Ų12335%0.35160%0.598SS.*  trans-66116.6169.128.5-32.3000107.8Y87P85-Y87 PolarHBondContact O-N 3.06Å; P85-Y87 VanDerWaalsContact O-N 3.09Å
86F62.9Low71.3Confident199 Ų199125.2 Ų125.287%0.87360%0.599SS**  trans-63.5112.1163.1-69.8-83.6000106.8I84 D88I84-F86 PolarHBondContact O-N 2.82Å; I84-F86 VanDerWaalsContact O-N 3.13Å; F86-D88 VanDerWaalsContact C-N 3.32Å; F86-D88 PolarHBondContact O-N 3.46Å
87Y56.6Low70Confident203 Ų203129.2 Ų129.280%0.79662%0.617SS**  trans-68101.6161.2-73.9-81.5000106P85 E89P85-Y87 PolarHBondContact O-N 3.06Å; P85-Y87 VanDerWaalsContact O-N 3.09Å; Y87-E89 PolarHBondContact O-N 3.29Å
88D51.2Low68.5Low106 Ų106135.3 Ų135.357%0.56765%0.645SS**  trans-63.6107.8166.1-157.4-18.4000106.2F86 N90 N91F86-D88 VanDerWaalsContact C-N 3.32Å; F86-D88 PolarHBondContact O-N 3.46Å; D88-N90 PolarHBondContact O-N 2.85Å; D88-N90 PolarHBondContact OD1-ND2 3.38Å; D88-N91 PolarHBondContact O-N 3.26Å; D88-N91 VanDerWaalsContact O-N 3.07Å
89E55Low66.9Low181 Ų181138.7 Ų138.785%0.84666%0.655SS**G310 helixtrans-56.5-14.9-179.9-72.9-169.1148.700112.1Y87 N91Y87-E89 PolarHBondContact O-N 3.29Å; E89-N91 VanDerWaalsContact C-N 3.33Å; E89-N91 PolarHBondContact O-N 2.91Å
90N51.9Low65Low129 Ų129139.6 Ų139.669%0.6967%0.667SS**G310 helixtrans-75.4-10.7177.6-62.9-52.6000115.1D88 K92D88-N90 PolarHBondContact O-N 2.85Å; D88-N90 PolarHBondContact OD1-ND2 3.38Å; N90-K92 VanDerWaalsContact C-N 3.33Å; N90-K92 PolarHBondContact O-N 3.07Å
91N51.9Low62.9Low140 Ų140146.6 Ų146.675%0.74970%0.699SS**G310 helixtrans-87.58.5-176-117.7-1.3000115.1D88 E89D88-N91 PolarHBondContact O-N 3.26Å; D88-N91 VanDerWaalsContact O-N 3.07Å; E89-N91 VanDerWaalsContact C-N 3.33Å; E89-N91 PolarHBondContact O-N 2.91Å
92K52.1Low60.6Low200 Ų200151.5 Ų151.587%0.8772%0.723SS**G310 helixtrans-94.416.9177-76.4-170.8177.5178.80115.1N90N90-K92 VanDerWaalsContact C-N 3.33Å; N90-K92 PolarHBondContact O-N 3.07Å
93Q49.7Very low58Low176 Ų176158.8 Ų158.882%0.82276%0.76SS**SBendtrans-105.41.4179.6-74.7-171.1-2.200115.7
94N42Very low55.7Low155 Ų155160.4 Ų160.483%0.82977%0.769SS**  trans-132.136.6-173.4-77.5-22.4000115.7
95E45.3Very low53.3Low271 Ų271164.9 Ų164.9100%1.26679%0.787SS**  trans-128.40159.9-78.8-171.1163.900111.4

Retrieved 95 of 95 residues in 93 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).