A0A5K4F3Y1_SCHMA Loading...

Zf-CHCC domain-containing protein

AlphaFold DB , UniProt , Accession A0A5K4F3Y1, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 98 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
1M41.4Very low67.5Low234 Ų234114 Ų114100%1.15361%0.607SS**  099.90-70.9167.6-173.300107L3M1-L3 PolarHBondContact O-N 3.2Å
2A52.9Low69.3Low93 Ų93109.3 Ų109.377%0.76959%0.587SS**  trans-67.5115.1178.600000108.7N4A2-N4 PolarHBondContact O-N 2.84Å
3L58.3Low70.5Confident83 Ų83109.5 Ų109.544%0.43559%0.586SS.*  trans-66.5122.4170.2-77.6162.2000107.7M1 G5 K7 L11 L19M1-L3 PolarHBondContact O-N 3.2Å; L3-G5 PolarHBondContact O-N 3.01Å; L3-K7 HydrophobicContact CD2-CB 4.38Å; L3-L11 HydrophobicContact CD1-CD1 3.92Å; L3-L19 HydrophobicContact CD1-CD1 3.8Å
4N62.9Low71.6Confident120 Ų120113.7 Ų113.764%0.64259%0.592SS**  trans-45.2135.4172.4-69.8-9.5000110.1A2 V6 K7 F8A2-N4 PolarHBondContact O-N 2.84Å; N4-V6 PolarHBondContact O-N 3.5Å; N4-K7 WeakPolarHBondContact O-CA 3.38Å; N4-K7 WeakPolarHBondContact O-CB 3.39Å; N4-K7 PolarHBondContact O-N 2.82Å; N4-F8 PolarHBondContact O-N 3.28Å
5G67.9Low72.5Confident55 Ų55109.9 Ų109.957%0.56757%0.572SS**Hα-helixtrans-50.7-32.6-168.800000115.1L3 F8 L9L3-G5 PolarHBondContact O-N 3.01Å; G5-F8 PolarHBondContact O-N 2.81Å; G5-L9 PolarHBondContact O-N 2.99Å; G5-L9 VanDerWaalsContact O-N 3.1Å
6V72Confident73.2Confident106 Ų106107.4 Ų107.464%0.64255%0.553SS**Hα-helixtrans-66.5-37.4175.8-171.50000112.7N4N4-V6 PolarHBondContact O-N 3.5Å
7K71.2Confident73.9Confident132 Ų132108.4 Ų108.457%0.57455%0.549SS*.Hα-helixtrans-73.1-39.4177.3-69.1-175.2177.7-179.80111.3L3 N4 L9 R10L3-K7 HydrophobicContact CD2-CB 4.38Å; N4-K7 WeakPolarHBondContact O-CA 3.38Å; N4-K7 WeakPolarHBondContact O-CB 3.39Å; N4-K7 PolarHBondContact O-N 2.82Å; K7-L9 VanDerWaalsContact C-N 3.25Å; K7-L9 PolarHBondContact O-N 3.15Å; K7-R10 PolarHBondContact O-N 3.3Å; K7-R10 VanDerWaalsContact O-N 3.13Å
8F73.1Confident74.4Confident63 Ų63111.2 Ų111.228%0.27655%0.552SS.*Hα-helixtrans-58.7-41.1174.5-174.1-99.6000111.1N4 G5 R10 L11 R16 L19N4-F8 PolarHBondContact O-N 3.28Å; G5-F8 PolarHBondContact O-N 2.81Å; F8-R10 PolarHBondContact O-N 3.2Å; F8-L11 HydrophobicContact CD2-CD1 4.45Å; F8-L11 PolarHBondContact O-N 3.42Å; F8-R16 HydrophobicContact CD1-CG 4.47Å; F8-R16 HydrophobicContact CE1-CB 4.09Å; F8-R16 HydrophobicContact CE1-CG 4.1Å; F8-R16 HydrophobicContact CE2-CB 4.19Å; F8-R16 HydrophobicContact CE2-CG 4.33Å; F8-R16 HydrophobicContact CZ-CB 3.69Å; F8-R16 HydrophobicContact CZ-CG 4.03Å; F8-R16 VanDerWaalsContact O-CD 3.31Å; F8-R16 WeakPolarHBondContact O-CD 3.4Å; F8-R16 PolarHBondContact O-NE 3.43Å; F8-R16 VanDerWaalsContact O-NE 3.11Å; F8-L19 HydrophobicContact CD2-CD1 4.25Å; F8-L19 HydrophobicContact CE2-CB 4.15Å; F8-L19 HydrophobicContact CE2-CD1 4.13Å
9L74.7Confident75Confident117 Ų117107.9 Ų107.961%0.61354%0.536SS*.THydrogen-bonded Turntrans-67.1-16.1178.5-110.373.4000115.2G5 K7 R16G5-L9 PolarHBondContact O-N 2.99Å; G5-L9 VanDerWaalsContact O-N 3.1Å; K7-L9 VanDerWaalsContact C-N 3.25Å; K7-L9 PolarHBondContact O-N 3.15Å; L9-R16 VanDerWaalsContact C-CZ 3.48Å; L9-R16 VanDerWaalsContact CA-NH2 3.31Å; L9-R16 PolarHBondContact O-NH1 3.21Å; L9-R16 PolarHBondContact O-NH2 3.44Å
10R84.5Confident75.4Confident211 Ų211106.6 Ų106.680%0.79653%0.525SS*.THydrogen-bonded Turntrans-91-11.3177.7-71.2-176.9178.1-165.9-0.5113.4K7 F8K7-R10 PolarHBondContact O-N 3.3Å; K7-R10 VanDerWaalsContact O-N 3.13Å; F8-R10 PolarHBondContact O-N 3.2Å
11L84Confident75.9Confident40 Ų40101.7 Ų101.721%0.20950%0.502CS..SBendtrans-71.8147.1178.9-62.2176.3000110.4L3 F8 L15 R16 L19L3-L11 HydrophobicContact CD1-CD1 3.92Å; F8-L11 HydrophobicContact CD2-CD1 4.45Å; F8-L11 PolarHBondContact O-N 3.42Å; L11-L15 HydrophobicContact CB-CB 4.43Å; L11-L15 HydrophobicContact CB-CD2 4.43Å; L11-L15 HydrophobicContact CD1-CD2 4.3Å; L11-L15 HydrophobicContact CD1-CG 4.28Å; L11-L15 HydrophobicContact CD2-CD2 3.85Å; L11-L15 HydrophobicContact CG-CD2 4.41Å; L11-R16 HydrophobicContact CB-CG 3.84Å; L11-R16 PolarHBondContact O-NE 3.14Å; L11-R16 PolarHBondContact O-NH1 3.22Å; L11-R16 VanDerWaalsContact O-NH1 3.16Å; L11-L19 HydrophobicContact CD1-CD1 3.46Å; L11-L19 VanDerWaalsContact CD1-CD1 3.46Å
12P88.1Confident78.2Confident57 Ų5791.6 Ų91.637%0.3745%0.453SS..  trans-60.8147.9171.228.6-34.9000109.6Y14 L15 R16P12-Y14 VanDerWaalsContact C-N 3.27Å; P12-Y14 HydrophobicContact CB-CD1 3.76Å; P12-Y14 HydrophobicContact CB-CE1 3.33Å; P12-Y14 HydrophobicContact CG-CD1 4.1Å; P12-Y14 HydrophobicContact CG-CE1 3.42Å; P12-Y14 VanDerWaalsContact CG-CE1 3.42Å; P12-Y14 HydrophobicContact CG-CE2 4.09Å; P12-Y14 WeakPolarHBondContact CG-OH 3.19Å; P12-Y14 PolarHBondContact O-N 3.46Å; P12-L15 HydrophobicContact CG-CB 3.97Å; P12-L15 WeakPolarHBondContact O-CB 3.11Å; P12-L15 PolarHBondContact O-N 2.95Å; P12-R16 PolarHBondContact O-N 3.21Å
13I85.6Confident79.8Confident112 Ų11292.4 Ų92.457%0.57444%0.441SS*.Hα-helixtrans-52.3-44-170-68.5170.2000112L15 R16 Y17I13-L15 VanDerWaalsContact C-N 3.26Å; I13-L15 PolarHBondContact O-N 3.44Å; I13-R16 WeakPolarHBondContact O-CB 3.43Å; I13-R16 PolarHBondContact O-N 3.24Å; I13-Y17 HydrophobicContact CG2-CD2 3.51Å; I13-Y17 HydrophobicContact CG2-CE2 3.15Å; I13-Y17 VanDerWaalsContact O-CD2 3.23Å; I13-Y17 WeakPolarHBondContact O-CD2 3.29Å; I13-Y17 PolarHBondContact O-N 3.33Å
14Y85.2Confident81.3Confident169 Ų16988.9 Ų88.966%0.66342%0.423SS*.Hα-helixtrans-59.3-35.5178.967.7-97.8000113.1P12 R18P12-Y14 VanDerWaalsContact C-N 3.27Å; P12-Y14 HydrophobicContact CB-CD1 3.76Å; P12-Y14 HydrophobicContact CB-CE1 3.33Å; P12-Y14 HydrophobicContact CG-CD1 4.1Å; P12-Y14 HydrophobicContact CG-CE1 3.42Å; P12-Y14 VanDerWaalsContact CG-CE1 3.42Å; P12-Y14 HydrophobicContact CG-CE2 4.09Å; P12-Y14 WeakPolarHBondContact CG-OH 3.19Å; P12-Y14 PolarHBondContact O-N 3.46Å; Y14-R18 WeakPolarHBondContact O-CB 3.29Å; Y14-R18 PolarHBondContact O-N 3.43Å
15L86Confident82.6Confident57 Ų5783.2 Ų83.230%0.29839%0.393SS..Hα-helixtrans-77.4-33.5-179.1-173.357.1000111L11 P12 I13 R18 L19L11-L15 HydrophobicContact CB-CB 4.43Å; L11-L15 HydrophobicContact CB-CD2 4.43Å; L11-L15 HydrophobicContact CD1-CD2 4.3Å; L11-L15 HydrophobicContact CD1-CG 4.28Å; L11-L15 HydrophobicContact CD2-CD2 3.85Å; L11-L15 HydrophobicContact CG-CD2 4.41Å; P12-L15 HydrophobicContact CG-CB 3.97Å; P12-L15 WeakPolarHBondContact O-CB 3.11Å; P12-L15 PolarHBondContact O-N 2.95Å; I13-L15 VanDerWaalsContact C-N 3.26Å; I13-L15 PolarHBondContact O-N 3.44Å; L15-R18 PolarHBondContact O-N 3.06Å; L15-L19 WeakPolarHBondContact O-CG 3.41Å; L15-L19 PolarHBondContact O-N 3.45Å
16R83.6Confident83.7Confident69 Ų6983.6 Ų83.626%0.2638%0.384SS..Hα-helixtrans-62.4-47.3171.1-61.7-167.1-147.4175-152.9111.3F8 L9 L11 P12 I13 R18 L19 Y20F8-R16 HydrophobicContact CD1-CG 4.47Å; F8-R16 HydrophobicContact CE1-CB 4.09Å; F8-R16 HydrophobicContact CE1-CG 4.1Å; F8-R16 HydrophobicContact CE2-CB 4.19Å; F8-R16 HydrophobicContact CE2-CG 4.33Å; F8-R16 HydrophobicContact CZ-CB 3.69Å; F8-R16 HydrophobicContact CZ-CG 4.03Å; F8-R16 VanDerWaalsContact O-CD 3.31Å; F8-R16 WeakPolarHBondContact O-CD 3.4Å; F8-R16 PolarHBondContact O-NE 3.43Å; F8-R16 VanDerWaalsContact O-NE 3.11Å; L9-R16 VanDerWaalsContact C-CZ 3.48Å; L9-R16 VanDerWaalsContact CA-NH2 3.31Å; L9-R16 PolarHBondContact O-NH1 3.21Å; L9-R16 PolarHBondContact O-NH2 3.44Å; L11-R16 HydrophobicContact CB-CG 3.84Å; L11-R16 PolarHBondContact O-NE 3.14Å; L11-R16 PolarHBondContact O-NH1 3.22Å; L11-R16 VanDerWaalsContact O-NH1 3.16Å; P12-R16 PolarHBondContact O-N 3.21Å; I13-R16 WeakPolarHBondContact O-CB 3.43Å; I13-R16 PolarHBondContact O-N 3.24Å; R16-R18 VanDerWaalsContact C-N 3.32Å; R16-R18 PolarHBondContact O-N 3.21Å; R16-L19 PolarHBondContact O-N 3.31Å; R16-Y20 WeakPolarHBondContact O-CB 3.44Å; R16-Y20 PolarHBondContact O-N 2.93Å
17Y84.1Confident84.7Confident125 Ų12581.6 Ų81.649%0.4937%0.372SS..Hα-helixtrans-60.2-42.3176.7-79.5-55.5000112.2I13 Y20 S21 T46I13-Y17 HydrophobicContact CG2-CD2 3.51Å; I13-Y17 HydrophobicContact CG2-CE2 3.15Å; I13-Y17 VanDerWaalsContact O-CD2 3.23Å; I13-Y17 WeakPolarHBondContact O-CD2 3.29Å; I13-Y17 PolarHBondContact O-N 3.33Å; Y17-Y20 PolarHBondContact O-N 2.94Å; Y17-S21 WeakPolarHBondContact O-CB 3.47Å; Y17-S21 PolarHBondContact O-N 3.04Å; Y17-T46 HydrophobicContact CD1-CG2 4.25Å; Y17-T46 WeakPolarHBondContact CD1-O 3.22Å; Y17-T46 HydrophobicContact CG-CG2 4.17Å
18R84.2Confident85.8Confident158 Ų15878.9 Ų78.960%0.59637%0.367SS*.Hα-helixtrans-61.8-47.8175.7-173.6172.5-175.31761.4111.9Y14 L15 R16 S21 T22Y14-R18 WeakPolarHBondContact O-CB 3.29Å; Y14-R18 PolarHBondContact O-N 3.43Å; L15-R18 PolarHBondContact O-N 3.06Å; R16-R18 VanDerWaalsContact C-N 3.32Å; R16-R18 PolarHBondContact O-N 3.21Å; R18-S21 PolarHBondContact O-N 2.88Å; R18-T22 VanDerWaalsContact O-CG2 3.3Å; R18-T22 WeakPolarHBondContact O-CG2 3.44Å; R18-T22 PolarHBondContact O-N 3.28Å; R18-T22 PolarHBondContact O-OG1 3.3Å; R18-T22 VanDerWaalsContact O-OG1 3.1Å
19L84.5Confident86.9Confident49 Ų4977 Ų7726%0.25736%0.361SS..Hα-helixtrans-60-48.9178.4-73.6172.7000111.4L3 F8 L11 L15 R16 S21 T22 E23L3-L19 HydrophobicContact CD1-CD1 3.8Å; F8-L19 HydrophobicContact CD2-CD1 4.25Å; F8-L19 HydrophobicContact CE2-CB 4.15Å; F8-L19 HydrophobicContact CE2-CD1 4.13Å; L11-L19 HydrophobicContact CD1-CD1 3.46Å; L11-L19 VanDerWaalsContact CD1-CD1 3.46Å; L15-L19 WeakPolarHBondContact O-CG 3.41Å; L15-L19 PolarHBondContact O-N 3.45Å; R16-L19 PolarHBondContact O-N 3.31Å; L19-S21 PolarHBondContact O-N 3.29Å; L19-T22 WeakPolarHBondContact CA-OG1 3.5Å; L19-T22 PolarHBondContact O-N 3.39Å; L19-T22 PolarHBondContact O-OG1 3.05Å; L19-E23 WeakPolarHBondContact O-CG 3.32Å; L19-E23 PolarHBondContact O-N 2.96Å
20Y83.8Confident87.9Confident82 Ų8277 Ų7732%0.32236%0.358SS..Hα-helixtrans-58.9-48.3177.6175.8-104.2000112.3R16 Y17 T22 E23 S24 D49R16-Y20 WeakPolarHBondContact O-CB 3.44Å; R16-Y20 PolarHBondContact O-N 2.93Å; Y17-Y20 PolarHBondContact O-N 2.94Å; Y20-T22 VanDerWaalsContact C-N 3.31Å; Y20-T22 PolarHBondContact O-N 3.21Å; Y20-E23 PolarHBondContact O-N 2.9Å; Y20-S24 WeakPolarHBondContact O-CB 3.25Å; Y20-S24 PolarHBondContact O-N 2.81Å; Y20-D49 PolarHBondContact OH-OD1 3.18Å; Y20-D49 PolarHBondContact OH-OD2 2.74Å
21S86Confident88.4Confident4 Ų472 Ų723%0.02835%0.351CS..Hα-helixtrans-57.7-43.6176.9174.70000111.9Y17 R18 L19 A25 V42Y17-S21 WeakPolarHBondContact O-CB 3.47Å; Y17-S21 PolarHBondContact O-N 3.04Å; R18-S21 PolarHBondContact O-N 2.88Å; L19-S21 PolarHBondContact O-N 3.29Å; S21-A25 WeakPolarHBondContact O-CB 3.39Å; S21-A25 PolarHBondContact O-N 3.19Å; S21-V42 WeakPolarHBondContact OG-CG1 3.3Å; S21-V42 PolarHBondContact OG-O 3.08Å
22T88.7Confident88.9Confident21 Ų2172.5 Ų72.513%0.12937%0.365CS..Hα-helixtrans-67.5-42.6177.355.10000112.5R18 L19 Y20 A25 T26 V37 V42R18-T22 VanDerWaalsContact O-CG2 3.3Å; R18-T22 WeakPolarHBondContact O-CG2 3.44Å; R18-T22 PolarHBondContact O-N 3.28Å; R18-T22 PolarHBondContact O-OG1 3.3Å; R18-T22 VanDerWaalsContact O-OG1 3.1Å; L19-T22 WeakPolarHBondContact CA-OG1 3.5Å; L19-T22 PolarHBondContact O-N 3.39Å; L19-T22 PolarHBondContact O-OG1 3.05Å; Y20-T22 VanDerWaalsContact C-N 3.31Å; Y20-T22 PolarHBondContact O-N 3.21Å; T22-A25 PolarHBondContact O-N 3.27Å; T22-T26 WeakPolarHBondContact O-CG2 3.39Å; T22-T26 PolarHBondContact O-N 3.34Å; T22-T26 PolarHBondContact O-OG1 2.73Å; T22-V37 HydrophobicContact CG2-CG1 3.94Å; T22-V42 HydrophobicContact CG2-CG1 4.07Å
23E88Confident89.2Confident110 Ų11073.2 Ų73.251%0.51436%0.363SS..Hα-helixtrans-60.8-49.7176.9-74.6-176.6168.200110.5L19 Y20 A25 T26L19-E23 WeakPolarHBondContact O-CG 3.32Å; L19-E23 PolarHBondContact O-N 2.96Å; Y20-E23 PolarHBondContact O-N 2.9Å; E23-A25 PolarHBondContact O-N 3.45Å; E23-T26 PolarHBondContact O-N 3.09Å; E23-T26 PolarHBondContact O-OG1 3.43Å
24S88.9Confident89.7Confident10 Ų1071 Ų717%0.0736%0.355CS..Hα-helixtrans-59.2-46.3178.1-156.30000111.5Y20 T26 T27 D49 K50Y20-S24 WeakPolarHBondContact O-CB 3.25Å; Y20-S24 PolarHBondContact O-N 2.81Å; S24-T26 VanDerWaalsContact C-N 3.32Å; S24-T26 PolarHBondContact O-N 3.12Å; S24-T27 WeakPolarHBondContact O-CB 3.2Å; S24-T27 PolarHBondContact O-N 3.41Å; S24-T27 PolarHBondContact O-OG1 3.47Å; S24-T27 VanDerWaalsContact O-OG1 3.11Å; S24-D49 WeakPolarHBondContact OG-CA 3.12Å; S24-D49 PolarHBondContact OG-OD1 3.1Å; S24-K50 WeakPolarHBondContact O-CB 3.33Å; S24-K50 WeakPolarHBondContact O-CD 3.41Å; S24-K50 PolarHBondContact OG-N 3.1Å
25A90.7Very high90.1Very high1 Ų164.6 Ų64.61%0.00833%0.331CS..Hα-helixtrans-64.7-32.2-178.800000114S21 T22 E23 T27 F35 V42 F45 K50S21-A25 WeakPolarHBondContact O-CB 3.39Å; S21-A25 PolarHBondContact O-N 3.19Å; T22-A25 PolarHBondContact O-N 3.27Å; E23-A25 PolarHBondContact O-N 3.45Å; A25-T27 VanDerWaalsContact C-N 3.26Å; A25-T27 PolarHBondContact O-N 3.22Å; A25-F35 HydrophobicContact CB-CB 4.21Å; A25-F35 HydrophobicContact CB-CD2 4.49Å; A25-F35 PolarHBondContact O-N 2.99Å; A25-V42 HydrophobicContact CB-CB 4.27Å; A25-V42 HydrophobicContact CB-CG1 3.88Å; A25-V42 HydrophobicContact CB-CG2 3.82Å; A25-F45 HydrophobicContact CB-CD2 3.67Å; A25-F45 HydrophobicContact CB-CE2 4.07Å; A25-K50 PolarHBondContact O-NZ 2.97Å
26T90.5Very high90.4Very high62 Ų6265.4 Ų65.438%0.3834%0.341SS..Hα-helixtrans-73.5-13.8179.357.60000114T22 E23 S24 V28 T34 V37T22-T26 WeakPolarHBondContact O-CG2 3.39Å; T22-T26 PolarHBondContact O-N 3.34Å; T22-T26 PolarHBondContact O-OG1 2.73Å; E23-T26 PolarHBondContact O-N 3.09Å; E23-T26 PolarHBondContact O-OG1 3.43Å; S24-T26 VanDerWaalsContact C-N 3.32Å; S24-T26 PolarHBondContact O-N 3.12Å; T26-V28 PolarHBondContact O-N 3.28Å; T26-T34 WeakPolarHBondContact CA-OG1 3.33Å; T26-T34 PolarHBondContact O-OG1 3.02Å; T26-V37 HydrophobicContact CG2-CG2 4.46Å
27T92.6Very high90.6Very high64 Ų6466 Ų6639%0.39335%0.353SS..PPolyproline II helixtrans-59.8119.2177.4-54.40000110.6S24 A25 K50 V52S24-T27 WeakPolarHBondContact O-CB 3.2Å; S24-T27 PolarHBondContact O-N 3.41Å; S24-T27 PolarHBondContact O-OG1 3.47Å; S24-T27 VanDerWaalsContact O-OG1 3.11Å; A25-T27 VanDerWaalsContact C-N 3.26Å; A25-T27 PolarHBondContact O-N 3.22Å; T27-K50 WeakPolarHBondContact O-CE 3.45Å; T27-K50 PolarHBondContact O-NZ 3.29Å; T27-V52 HydrophobicContact CG2-CB 4.12Å; T27-V52 HydrophobicContact CG2-CG1 4.45Å; T27-V52 HydrophobicContact CG2-CG2 3.83Å
28V94.5Very high90.8Very high76 Ų7666.8 Ų66.846%0.46137%0.365SS..PPolyproline II helixtrans-76.9131.6-175.4-174.80000110.6T26 Q33T26-V28 PolarHBondContact O-N 3.28Å; V28-Q33 WeakPolarHBondContact CA-O 3.27Å
29T96.3Very high91.2Very high24 Ų2461.5 Ų61.515%0.14735%0.349CS..PPolyproline II helixtrans-75.4167.2175.1640000111.8T31 G32 Q33 V52T29-T31 PolarHBondContact O-N 3.11Å; T29-T31 VanDerWaalsContact O-N 3.09Å; T29-T31 PolarHBondContact OG1-N 2.84Å; T29-T31 PolarHBondContact OG1-OG1 2.99Å; T29-G32 PolarHBondContact O-N 3.44Å; T29-Q33 HydrophobicContact CG2-CB 4.25Å; T29-Q33 PolarHBondContact N-O 3.22Å; T29-Q33 WeakPolarHBondContact OG1-CB 3.43Å; T29-Q33 PolarHBondContact OG1-N 2.78Å; T29-V52 HydrophobicContact CG2-CG2 4.34Å
30H95.2Very high91.6Very high117 Ų11764.7 Ų64.754%0.54237%0.372SS..THydrogen-bonded Turntrans-59.7-20173.669.7-88.7000113.6F56H30-F56 HydrophobicContact CB-CB 4.48Å; H30-F56 HydrophobicContact CB-CD1 3.83Å; H30-F56 HydrophobicContact CB-CD2 4.04Å; H30-F56 HydrophobicContact CB-CE1 4.01Å; H30-F56 HydrophobicContact CB-CE2 4.21Å; H30-F56 HydrophobicContact CB-CG 3.85Å; H30-F56 HydrophobicContact CB-CZ 4.2Å
31T96Very high92Very high106 Ų10662.4 Ų62.465%0.6537%0.368SS*.THydrogen-bonded Turntrans-88.1-4173.756.20000114.1T29T29-T31 PolarHBondContact O-N 3.11Å; T29-T31 VanDerWaalsContact O-N 3.09Å; T29-T31 PolarHBondContact OG1-N 2.84Å; T29-T31 PolarHBondContact OG1-OG1 2.99Å
32G94.5Very high92.3Very high49 Ų4962.7 Ų62.751%0.50537%0.37SS..  trans89.63.8-176.700000115.3T29T29-G32 PolarHBondContact O-N 3.44Å
33Q95.1Very high92.4Very high72 Ų7264.8 Ų64.834%0.33639%0.389SS..  trans-73.4135.2-178.4-170.1-82.7-9.600111.8V28 T29 F35 K50V28-Q33 WeakPolarHBondContact CA-O 3.27Å; T29-Q33 HydrophobicContact CG2-CB 4.25Å; T29-Q33 PolarHBondContact N-O 3.22Å; T29-Q33 WeakPolarHBondContact OG1-CB 3.43Å; T29-Q33 PolarHBondContact OG1-N 2.78Å; Q33-F35 VanDerWaalsContact NE2-CZ 3.26Å; Q33-K50 PolarHBondContact O-NZ 2.78Å
34T94.6Very high92.5Very high67 Ų6767.3 Ų67.341%0.41139%0.394SS..  trans-147.2160.3171.8-1700000110.2T26T26-T34 WeakPolarHBondContact CA-OG1 3.33Å; T26-T34 PolarHBondContact O-OG1 3.02Å
35F94Very high92.7Very high33 Ų3368 Ų6815%0.14540%0.396CS..  trans-101.6140.5174.4-68.7-83000110A25 Q33 D39 V42 F45A25-F35 HydrophobicContact CB-CB 4.21Å; A25-F35 HydrophobicContact CB-CD2 4.49Å; A25-F35 PolarHBondContact O-N 2.99Å; Q33-F35 VanDerWaalsContact NE2-CZ 3.26Å; F35-D39 HydrophobicContact CB-CB 4.47Å; F35-D39 HydrophobicContact CD1-CB 4.46Å; F35-V42 HydrophobicContact CB-CG2 3.86Å; F35-F45 AromaticContact CD2-CE2 3.75Å; F35-F45 HydrophobicContact CD2-CE2 3.75Å; F35-F45 HydrophobicContact CD2-CZ 4.28Å; F35-F45 AromaticContact CE2-CE2 3.65Å; F35-F45 HydrophobicContact CE2-CE2 3.65Å; F35-F45 AromaticContact CE2-CZ 3.79Å; F35-F45 HydrophobicContact CE2-CZ 3.79Å; F35-F45 HydrophobicContact CZ-CE2 4.44Å
36S91.7Very high92.5Very high75 Ų7570 Ų7052%0.52441%0.408SS..  trans-68.6150.8169.882.40000110.2N38 D39 V42S36-N38 PolarHBondContact O-N 3.11Å; S36-N38 VanDerWaalsContact O-N 3.11Å; S36-D39 VanDerWaalsContact O-CB 3.27Å; S36-D39 WeakPolarHBondContact O-CB 3.45Å; S36-D39 PolarHBondContact O-N 3.42Å; S36-D39 PolarHBondContact OG-N 3.29Å; S36-V42 WeakPolarHBondContact O-CG2 3Å
37V88.3Confident92.2Very high82 Ų8275 Ų7550%0.49743%0.431SS..THydrogen-bonded Turntrans-58.9-27.7-178.8178.60000112.6T22 T26T22-V37 HydrophobicContact CG2-CG1 3.94Å; T26-V37 HydrophobicContact CG2-CG2 4.46Å
38N89.5Confident91.9Very high140 Ų14073.6 Ų73.675%0.74943%0.429SS*.THydrogen-bonded Turntrans-96.13-179.1-62.3-27.8000113.1S36S36-N38 PolarHBondContact O-N 3.11Å; S36-N38 VanDerWaalsContact O-N 3.11Å
39D92.4Very high91.7Very high48 Ų4874 Ų7426%0.25743%0.429SS..  trans-71.5124.7177.9-168.8-42.5000109.7F35 S36 S41 V42F35-D39 HydrophobicContact CB-CB 4.47Å; F35-D39 HydrophobicContact CD1-CB 4.46Å; S36-D39 VanDerWaalsContact O-CB 3.27Å; S36-D39 WeakPolarHBondContact O-CB 3.45Å; S36-D39 PolarHBondContact O-N 3.42Å; S36-D39 PolarHBondContact OG-N 3.29Å; D39-S41 PolarHBondContact O-N 3.04Å; D39-S41 VanDerWaalsContact O-N 3.08Å; D39-S41 WeakPolarHBondContact OD1-CA 3.48Å; D39-S41 WeakPolarHBondContact OD1-CB 3.36Å; D39-S41 PolarHBondContact OD1-N 3.24Å; D39-S41 PolarHBondContact OD1-OG 2.92Å; D39-V42 HydrophobicContact CB-CG2 4.2Å; D39-V42 VanDerWaalsContact O-CB 3.3Å; D39-V42 WeakPolarHBondContact O-CB 3.3Å; D39-V42 VanDerWaalsContact O-CG2 3.28Å; D39-V42 WeakPolarHBondContact O-CG2 3.16Å; D39-V42 PolarHBondContact O-N 3.34Å
40P92.1Very high91.6Very high116 Ų11673.9 Ų73.975%0.75343%0.426SS*.G310 helixtrans-59.3-23.2178.325-35000112.8V42 A43P40-V42 PolarHBondContact O-N 3.24Å; P40-A43 WeakPolarHBondContact O-CB 3.35Å; P40-A43 PolarHBondContact O-N 3.11Å
41S91.9Very high91.5Very high34 Ų3476.1 Ų76.124%0.23844%0.441CS..G310 helixtrans-61.8-22.8176.1-58.80000113.4D39 A43 R44D39-S41 PolarHBondContact O-N 3.04Å; D39-S41 VanDerWaalsContact O-N 3.08Å; D39-S41 WeakPolarHBondContact OD1-CA 3.48Å; D39-S41 WeakPolarHBondContact OD1-CB 3.36Å; D39-S41 PolarHBondContact OD1-N 3.24Å; D39-S41 PolarHBondContact OD1-OG 2.92Å; S41-A43 PolarHBondContact O-N 3.26Å; S41-R44 VanDerWaalsContact O-CG 3.22Å; S41-R44 WeakPolarHBondContact O-CG 3.28Å; S41-R44 PolarHBondContact O-N 2.9Å; S41-R44 PolarHBondContact O-NE 3.39Å; S41-R44 PolarHBondContact OG-NH2 2.9Å
42V92.7Very high91.5Very high10 Ų1072.7 Ų72.76%0.06142%0.42CS..G310 helixtrans-58.3-33.4179171.70000111.1S21 T22 A25 F35 S36 D39 P40 R44 F45S21-V42 WeakPolarHBondContact OG-CG1 3.3Å; S21-V42 PolarHBondContact OG-O 3.08Å; T22-V42 HydrophobicContact CG2-CG1 4.07Å; A25-V42 HydrophobicContact CB-CB 4.27Å; A25-V42 HydrophobicContact CB-CG1 3.88Å; A25-V42 HydrophobicContact CB-CG2 3.82Å; F35-V42 HydrophobicContact CB-CG2 3.86Å; S36-V42 WeakPolarHBondContact O-CG2 3Å; D39-V42 HydrophobicContact CB-CG2 4.2Å; D39-V42 VanDerWaalsContact O-CB 3.3Å; D39-V42 WeakPolarHBondContact O-CB 3.3Å; D39-V42 VanDerWaalsContact O-CG2 3.28Å; D39-V42 WeakPolarHBondContact O-CG2 3.16Å; D39-V42 PolarHBondContact O-N 3.34Å; P40-V42 PolarHBondContact O-N 3.24Å; V42-R44 PolarHBondContact O-N 3.03Å; V42-F45 WeakPolarHBondContact O-CD2 3.19Å; V42-F45 PolarHBondContact O-N 3.2Å
43A90.4Very high91.5Very high65 Ų6575 Ų7554%0.53742%0.421SS..G310 helixtrans-55.2-24.8-17900000114P40 S41 F45 T46P40-A43 WeakPolarHBondContact O-CB 3.35Å; P40-A43 PolarHBondContact O-N 3.11Å; S41-A43 PolarHBondContact O-N 3.26Å; A43-F45 PolarHBondContact O-N 3.29Å; A43-T46 VanDerWaalsContact O-CB 3.29Å; A43-T46 WeakPolarHBondContact O-CB 3.44Å; A43-T46 PolarHBondContact O-N 3.28Å; A43-T46 PolarHBondContact O-OG1 3.34Å
44R91.1Very high91.5Very high162 Ų16281 Ų8161%0.61145%0.446SS*.G310 helixtrans-63.8-24.517680.7-174.367-168.2-1.3113.2S41 V42 T46S41-R44 VanDerWaalsContact O-CG 3.22Å; S41-R44 WeakPolarHBondContact O-CG 3.28Å; S41-R44 PolarHBondContact O-N 2.9Å; S41-R44 PolarHBondContact O-NE 3.39Å; S41-R44 PolarHBondContact OG-NH2 2.9Å; V42-R44 PolarHBondContact O-N 3.03Å; R44-T46 VanDerWaalsContact C-N 3.29Å; R44-T46 PolarHBondContact O-N 3.03Å
45F92.2Very high91.6Very high24 Ų2484.2 Ų84.211%0.10546%0.456CS..G310 helixtrans-91.613.9-180-51.2-68000113A25 F35 V42 A43 G48 K50A25-F45 HydrophobicContact CB-CD2 3.67Å; A25-F45 HydrophobicContact CB-CE2 4.07Å; F35-F45 AromaticContact CD2-CE2 3.75Å; F35-F45 HydrophobicContact CD2-CE2 3.75Å; F35-F45 HydrophobicContact CD2-CZ 4.28Å; F35-F45 AromaticContact CE2-CE2 3.65Å; F35-F45 HydrophobicContact CE2-CE2 3.65Å; F35-F45 AromaticContact CE2-CZ 3.79Å; F35-F45 HydrophobicContact CE2-CZ 3.79Å; F35-F45 HydrophobicContact CZ-CE2 4.44Å; V42-F45 WeakPolarHBondContact O-CD2 3.19Å; V42-F45 PolarHBondContact O-N 3.2Å; A43-F45 PolarHBondContact O-N 3.29Å; F45-G48 CarbonylContact C-O 3.46Å; F45-G48 WeakPolarHBondContact CA-O 3.44Å; F45-K50 HydrophobicContact CD1-CB 3.76Å; F45-K50 HydrophobicContact CD1-CG 4.47Å; F45-K50 HydrophobicContact CE1-CB 3.61Å; F45-K50 HydrophobicContact CE1-CG 3.82Å; F45-K50 HydrophobicContact CG-CB 4.39Å; F45-K50 HydrophobicContact CZ-CB 4.12Å; F45-K50 HydrophobicContact CZ-CD 4.36Å; F45-K50 HydrophobicContact CZ-CG 3.97Å
46T86.5Confident91.7Very high45 Ų4585.2 Ų85.228%0.27646%0.461SS..G310 helixtrans-69.5-35.6179.2-54.60000112Y17 A43 R44Y17-T46 HydrophobicContact CD1-CG2 4.25Å; Y17-T46 WeakPolarHBondContact CD1-O 3.22Å; Y17-T46 HydrophobicContact CG-CG2 4.17Å; A43-T46 VanDerWaalsContact O-CB 3.29Å; A43-T46 WeakPolarHBondContact O-CB 3.44Å; A43-T46 PolarHBondContact O-N 3.28Å; A43-T46 PolarHBondContact O-OG1 3.34Å; R44-T46 VanDerWaalsContact C-N 3.29Å; R44-T46 PolarHBondContact O-N 3.03Å
47I85Confident91.9Very high166 Ų16685.1 Ų85.185%0.85146%0.464SS*.SBendtrans-104.4-24.3-174.5-58.5173.6000111.5
48G86.7Confident92.3Very high34 Ų3488.3 Ų88.335%0.35147%0.474SS..SBendtrans-143.9156.7-177.900000112.7F45F45-G48 CarbonylContact C-O 3.46Å; F45-G48 WeakPolarHBondContact CA-O 3.44Å
49D89.5Confident92.6Very high85 Ų8588 Ų8846%0.45547%0.466SS..  trans-73.7148.3-177.7-84.1-45.5000113.7Y20 S24 L51Y20-D49 PolarHBondContact OH-OD1 3.18Å; Y20-D49 PolarHBondContact OH-OD2 2.74Å; S24-D49 WeakPolarHBondContact OG-CA 3.12Å; S24-D49 PolarHBondContact OG-OD1 3.1Å; D49-L51 PolarHBondContact O-N 2.94Å; D49-L51 VanDerWaalsContact O-N 3.11Å
50K93.4Very high92.9Very high22 Ų2289.5 Ų89.510%0.09647%0.473CS..  trans-65.9107.4162.3-172.5-175.4-178-179.10108.4S24 A25 T27 Q33 F45 V52S24-K50 WeakPolarHBondContact O-CB 3.33Å; S24-K50 WeakPolarHBondContact O-CD 3.41Å; S24-K50 PolarHBondContact OG-N 3.1Å; A25-K50 PolarHBondContact O-NZ 2.97Å; T27-K50 WeakPolarHBondContact O-CE 3.45Å; T27-K50 PolarHBondContact O-NZ 3.29Å; Q33-K50 PolarHBondContact O-NZ 2.78Å; F45-K50 HydrophobicContact CD1-CB 3.76Å; F45-K50 HydrophobicContact CD1-CG 4.47Å; F45-K50 HydrophobicContact CE1-CB 3.61Å; F45-K50 HydrophobicContact CE1-CG 3.82Å; F45-K50 HydrophobicContact CG-CB 4.39Å; F45-K50 HydrophobicContact CZ-CB 4.12Å; F45-K50 HydrophobicContact CZ-CD 4.36Å; F45-K50 HydrophobicContact CZ-CG 3.97Å; K50-V52 HydrophobicContact CD-CG2 4.13Å; K50-V52 HydrophobicContact CG-CG2 4Å; K50-V52 PolarHBondContact O-N 3.42Å
51L94.1Very high93.1Very high163 Ų16389.5 Ų89.585%0.85347%0.466SS*.  trans-73.2114.4177.6-58.7-179.2000110D49D49-L51 PolarHBondContact O-N 2.94Å; D49-L51 VanDerWaalsContact O-N 3.11Å
52V95.3Very high93.3Very high34 Ų3491.9 Ų91.921%0.20649%0.487CS..  trans-126125.4176.3-178.40000108.8T27 T29 K50 K54T27-V52 HydrophobicContact CG2-CB 4.12Å; T27-V52 HydrophobicContact CG2-CG1 4.45Å; T27-V52 HydrophobicContact CG2-CG2 3.83Å; T29-V52 HydrophobicContact CG2-CG2 4.34Å; K50-V52 HydrophobicContact CD-CG2 4.13Å; K50-V52 HydrophobicContact CG-CG2 4Å; K50-V52 PolarHBondContact O-N 3.42Å; V52-K54 PolarHBondContact O-N 3.37Å
53N95.8Very high93.5Very high98 Ų9898.3 Ų98.352%0.52452%0.517SS..  trans-66.6124.1173.1-176.59.3000109.5Q55 F56N53-Q55 VanDerWaalsContact C-N 3.31Å; N53-Q55 PolarHBondContact ND2-O 3.47Å; N53-Q55 VanDerWaalsContact ND2-O 3.12Å; N53-Q55 PolarHBondContact OD1-N 3.24Å; N53-F56 WeakPolarHBondContact O-CD1 3.49Å; N53-F56 WeakPolarHBondContact O-CE1 3.37Å
54K94.7Very high93.8Very high198 Ų19899.4 Ų99.486%0.86152%0.516SS*.SBendtrans-77.2-18.1179.4-61.5178.1-176.5176.20112.8V52V52-K54 PolarHBondContact O-N 3.37Å
55Q95.7Very high94.1Very high134 Ų13496.4 Ų96.463%0.62652%0.518SS*.SBendtrans-93.598.1179.5-67.5-178.2-61.200109.9N53 L60N53-Q55 VanDerWaalsContact C-N 3.31Å; N53-Q55 PolarHBondContact ND2-O 3.47Å; N53-Q55 VanDerWaalsContact ND2-O 3.12Å; N53-Q55 PolarHBondContact OD1-N 3.24Å; Q55-L60 HydrophobicContact CB-CD1 4.28Å
56F96Very high94.1Very high55 Ų55101.4 Ų101.424%0.24155%0.553CS.*  trans-84.7118.7-178.4-70.215.4000109.3H30 N53 E58 K59 L60H30-F56 HydrophobicContact CB-CB 4.48Å; H30-F56 HydrophobicContact CB-CD1 3.83Å; H30-F56 HydrophobicContact CB-CD2 4.04Å; H30-F56 HydrophobicContact CB-CE1 4.01Å; H30-F56 HydrophobicContact CB-CE2 4.21Å; H30-F56 HydrophobicContact CB-CG 3.85Å; H30-F56 HydrophobicContact CB-CZ 4.2Å; N53-F56 WeakPolarHBondContact O-CD1 3.49Å; N53-F56 WeakPolarHBondContact O-CE1 3.37Å; F56-E58 PolarHBondContact O-N 3.5Å; F56-K59 HydrophobicContact CB-CG 4.4Å; F56-K59 PolarHBondContact O-N 2.93Å; F56-L60 PolarHBondContact O-N 2.73Å
57A96.9Very high94.4Very high73 Ų73106.4 Ų106.460%0.60358%0.577SS**Hα-helixtrans-57.7-33.9-176.600000113.3K59 L60 I61A57-K59 VanDerWaalsContact C-N 3.34Å; A57-K59 PolarHBondContact O-N 2.82Å; A57-L60 PolarHBondContact O-N 2.62Å; A57-I61 WeakPolarHBondContact O-CG2 3.33Å; A57-I61 PolarHBondContact O-N 2.88Å
58E96.4Very high94.7Very high149 Ų149103.3 Ų103.370%0.69658%0.576SS**Hα-helixtrans-57.9-42.7175.2-175.4-173168.900112.7F56 I61 A62F56-E58 PolarHBondContact O-N 3.5Å; E58-I61 VanDerWaalsContact O-CG2 3.29Å; E58-I61 WeakPolarHBondContact O-CG2 3.16Å; E58-A62 WeakPolarHBondContact O-CB 3.47Å; E58-A62 PolarHBondContact O-N 3.2Å
59K96.2Very high94.8Very high134 Ų134104.1 Ų104.158%0.58358%0.575SS**Hα-helixtrans-70.5-43.3177.2-66-175.4178.4-179.50111F56 A57 I61 A62 E63F56-K59 HydrophobicContact CB-CG 4.4Å; F56-K59 PolarHBondContact O-N 2.93Å; A57-K59 VanDerWaalsContact C-N 3.34Å; A57-K59 PolarHBondContact O-N 2.82Å; K59-I61 VanDerWaalsContact C-N 3.34Å; K59-I61 PolarHBondContact O-N 2.82Å; K59-A62 PolarHBondContact O-N 3.5Å; K59-E63 WeakPolarHBondContact O-CG 3.48Å; K59-E63 PolarHBondContact O-N 2.85Å; K59-E63 VanDerWaalsContact O-N 3.14Å
60L97.5Very high94.7Very high78 Ų78109.9 Ų109.941%0.40860%0.596SS.*Hα-helixtrans-62-41.2-179.9-64.5176000112Q55 F56 A57 A62 E63Q55-L60 HydrophobicContact CB-CD1 4.28Å; F56-L60 PolarHBondContact O-N 2.73Å; A57-L60 PolarHBondContact O-N 2.62Å; L60-A62 VanDerWaalsContact C-N 3.34Å; L60-E63 PolarHBondContact O-N 2.78Å
61I96.4Very high94.5Very high116 Ų116114.1 Ų114.160%0.59562%0.617SS**Hα-helixtrans-71.4-30.9178.2-166.559.8000112.1A57 E58 K59 E63 V64A57-I61 WeakPolarHBondContact O-CG2 3.33Å; A57-I61 PolarHBondContact O-N 2.88Å; E58-I61 VanDerWaalsContact O-CG2 3.29Å; E58-I61 WeakPolarHBondContact O-CG2 3.16Å; K59-I61 VanDerWaalsContact C-N 3.34Å; K59-I61 PolarHBondContact O-N 2.82Å; I61-E63 VanDerWaalsContact C-N 3.27Å; I61-E63 PolarHBondContact O-N 2.97Å; I61-V64 HydrophobicContact CD1-CB 4.46Å; I61-V64 HydrophobicContact CD1-CG2 4.33Å; I61-V64 PolarHBondContact O-N 2.9Å
62A97.1Very high94.4Very high84 Ų84111 Ų11169%0.69460%0.601SS**Hα-helixtrans-69.1-24.6174.900000113.1E58 K59 L60 V64E58-A62 WeakPolarHBondContact O-CB 3.47Å; E58-A62 PolarHBondContact O-N 3.2Å; K59-A62 PolarHBondContact O-N 3.5Å; L60-A62 VanDerWaalsContact C-N 3.34Å; A62-V64 VanDerWaalsContact C-N 3.3Å
63E97.5Very high94.2Very high146 Ų146114.5 Ų114.568%0.68262%0.617SS**THydrogen-bonded Turntrans-75.1-18.2173.7-70.3169-164.900112.7K59 L60 I61K59-E63 WeakPolarHBondContact O-CG 3.48Å; K59-E63 PolarHBondContact O-N 2.85Å; K59-E63 VanDerWaalsContact O-N 3.14Å; L60-E63 PolarHBondContact O-N 2.78Å; I61-E63 VanDerWaalsContact C-N 3.27Å; I61-E63 PolarHBondContact O-N 2.97Å
64V96.3Very high94.1Very high87 Ų87111.6 Ų111.653%0.52760%0.603SS.*SBendtrans-78.3123179.2-179.20000109.8I61 A62I61-V64 HydrophobicContact CD1-CB 4.46Å; I61-V64 HydrophobicContact CD1-CG2 4.33Å; I61-V64 PolarHBondContact O-N 2.9Å; A62-V64 VanDerWaalsContact C-N 3.3Å
65P96.1Very high94.1Very high99 Ų99104.7 Ų104.764%0.64358%0.58SS**PPolyproline II helixtrans-67.9143.9178.828-34.3000111.1
66P93.7Very high94.1Very high129 Ų129100.6 Ų100.684%0.83857%0.565SS**PPolyproline II helixtrans-58.7139.1170.6-22.833000111.6
67I92.7Very high94.1Very high151 Ų151101.1 Ų101.177%0.77457%0.571SS**PPolyproline II helixtrans-89.4120176.3-59.5170000108.3
68A90.2Very high93.9Very high101 Ų101100.1 Ų100.184%0.83557%0.567SS**PPolyproline II helixtrans-74.6128.6175.500000110.9
69C88.4Confident93.8Very high50 Ų5094.9 Ų94.934%0.33855%0.553SS.*  trans-120.4151.2173.6-59.40000109.8L92C69-L92 HydrophobicContact CB-CD1 3.77Å
70K88.4Confident93.6Very high206 Ų20691.3 Ų91.390%0.89655%0.554SS**SBendtrans-92.9-21.4176.5-69-178.7-179.4177.40111.8
71E89.6Confident93.4Very high112 Ų11289.7 Ų89.752%0.52356%0.556SS.*SBendtrans-81.6149.1-175.4-57.376.4-169.500111.6I73E71-I73 VanDerWaalsContact C-N 3.3Å; E71-I73 PolarHBondContact O-N 3.24Å
72N91.3Very high93.3Very high97 Ų9789.3 Ų89.352%0.51957%0.571SS.*SBendtrans-72.8-23.9174.9-69.3-21.3000113N91 L92 L93N72-N91 PolarHBondContact O-OD1 3.25Å; N72-L92 PolarHBondContact O-N 3.35Å; N72-L93 HydrophobicContact CB-CD1 4.33Å; N72-L93 HydrophobicContact CB-CD2 3.92Å; N72-L93 HydrophobicContact CB-CG 3.87Å; N72-L93 WeakPolarHBondContact OD1-CD2 3.23Å
73I92.4Very high93.3Very high107 Ų10793.1 Ų93.155%0.54958%0.578SS.*EExtended strand (participates in β ladder)trans-131.6124.2177.2-58.8174.6000107.1E71 Y89 I90E71-I73 VanDerWaalsContact C-N 3.3Å; E71-I73 PolarHBondContact O-N 3.24Å; I73-Y89 HydrophobicContact CG2-CD1 4.17Å; I73-I90 WeakPolarHBondContact CA-O 3.49Å
74T93.1Very high93.2Very high38 Ų3887.7 Ų87.723%0.23356%0.562CS.*EExtended strand (participates in β ladder)trans-114.5164.1174.1-169.50000110.5Y89 I90 L92T74-Y89 CarbonylContact O-C 3.36Å; T74-Y89 VanDerWaalsContact O-CA 3.29Å; T74-Y89 WeakPolarHBondContact O-CA 3.31Å; T74-I90 HydrophobicContact CG2-CB 3.97Å; T74-I90 PolarHBondContact N-O 2.78Å; T74-I90 PolarHBondContact O-N 3.16Å; T74-L92 HydrophobicContact CG2-CD1 3.91Å; T74-L92 HydrophobicContact CG2-CG 4.32Å
75S94.2Very high93.2Very high53 Ų5387.4 Ų87.437%0.37156%0.555SS.*EExtended strand (participates in β ladder)trans-122.7140.4175.467.80000112.1K87 V88S75-K87 WeakPolarHBondContact OG-CE 3.49Å; S75-V88 CarbonylContact C-O 3.52Å; S75-V88 WeakPolarHBondContact CA-O 3.29Å
76C95Very high93.2Very high47 Ų4787.9 Ų87.932%0.31856%0.558SS.*EExtended strand (participates in β ladder)trans-123137.3175.1-172.70000109.7G78 H85 K87 V88 I90C76-G78 PolarHBondContact SG-N 3.01Å; C76-H85 PolarHBondContact O-CE1 3.38Å; C76-H85 PolarHBondContact SG-NE2 3.1Å; C76-H85 VanDerWaalsContact SG-NE2 3.42Å; C76-K87 WeakPolarHBondContact O-CA 3.41Å; C76-V88 HydrophobicContact CB-CG2 4.22Å; C76-V88 PolarHBondContact N-O 2.83Å; C76-V88 PolarHBondContact O-N 3.43Å; C76-I90 HydrophobicContact CB-CD1 4.19Å
77D96Very high93.3Very high67 Ų6787.6 Ų87.636%0.35854%0.543SS..  trans-119.52173.564.4-8.1000112.3G79 G84 H85D77-G79 PolarHBondContact O-N 3.02Å; D77-G79 PolarHBondContact OD1-N 3.17Å; D77-G84 CarbonylContact O-C 3.58Å; D77-G84 VanDerWaalsContact O-CA 3.25Å; D77-G84 WeakPolarHBondContact O-CA 3.16Å; D77-H85 PolarHBondContact O-N 3.45Å; D77-H85 VanDerWaalsContact O-O 3.09Å
78G93.9Very high93.5Very high51 Ų5183.6 Ų83.653%0.52653%0.526SS..  trans74.22.7-175.600000114.5C76 H85C76-G78 PolarHBondContact SG-N 3.01Å; G78-H85 PolarHBondContact N-NE2 3.47Å; G78-H85 VanDerWaalsContact N-NE2 3.2Å
79G93.6Very high93.8Very high39 Ų3986.3 Ų86.340%0.40252%0.516SS..SBendtrans84.2152.9-176.800000114D77 G81 G84D77-G79 PolarHBondContact O-N 3.02Å; D77-G79 PolarHBondContact OD1-N 3.17Å; G79-G81 VanDerWaalsContact C-N 3.34Å; G79-G81 PolarHBondContact O-N 3.2Å; G79-G84 WeakPolarHBondContact O-CA 3.44Å; G79-G84 PolarHBondContact O-N 3.27Å
80G93.2Very high94.1Very high59 Ų5987.6 Ų87.661%0.60852%0.518SS*.SBendtrans75.117.3175.800000115.1A82 L83G80-A82 PolarHBondContact O-N 3.13Å; G80-L83 PolarHBondContact O-N 3.22Å; G80-L83 VanDerWaalsContact O-N 3.1Å
81G91.8Very high94.3Very high44 Ų4482.2 Ų82.245%0.45450%0.5SS..G310 helixtrans60.2-108.817900000111.5G79 L83 G84G79-G81 VanDerWaalsContact C-N 3.34Å; G79-G81 PolarHBondContact O-N 3.2Å; G81-L83 PolarHBondContact O-N 2.93Å; G81-G84 PolarHBondContact O-N 2.94Å
82A94.1Very high94.3Very high109 Ų10980.7 Ų80.790%0.90149%0.494SS*.G310 helixtrans-72.5-9.2179.400000114.5G80G80-A82 PolarHBondContact O-N 3.13Å
83L97Very high94Very high163 Ų16379.8 Ų79.885%0.85349%0.489SS*.G310 helixtrans-82.4-15.7176.3-62.5177.6000113.2G80 G81G80-L83 PolarHBondContact O-N 3.22Å; G80-L83 VanDerWaalsContact O-N 3.1Å; G81-L83 PolarHBondContact O-N 2.93Å
84G95.8Very high93Very high33 Ų3381.2 Ų81.234%0.3451%0.506SS..SBendtrans-94.3-154.4178.400000112.8D77 G79 G81D77-G84 CarbonylContact O-C 3.58Å; D77-G84 VanDerWaalsContact O-CA 3.25Å; D77-G84 WeakPolarHBondContact O-CA 3.16Å; G79-G84 WeakPolarHBondContact O-CA 3.44Å; G79-G84 PolarHBondContact O-N 3.27Å; G81-G84 PolarHBondContact O-N 2.94Å
85H96Very high91.3Very high81 Ų8182.8 Ų82.838%0.37552%0.518SS..PPolyproline II helixtrans-90.8163.6175.961.971000110.8C76 D77 G78 K87C76-H85 PolarHBondContact O-CE1 3.38Å; C76-H85 PolarHBondContact SG-NE2 3.1Å; C76-H85 VanDerWaalsContact SG-NE2 3.42Å; D77-H85 PolarHBondContact O-N 3.45Å; D77-H85 VanDerWaalsContact O-O 3.09Å; G78-H85 PolarHBondContact N-NE2 3.47Å; G78-H85 VanDerWaalsContact N-NE2 3.2Å; H85-K87 PolarHBondContact O-N 3.22Å
86P96.9Very high88.9Confident109 Ų10986.3 Ų86.371%0.70854%0.541SS*.PPolyproline II helixtrans-52.3141.4172.5-26.735.6000111.6V88P86-V88 PolarHBondContact O-N 3.32Å; P86-V88 VanDerWaalsContact O-N 3.15Å
87K96.4Very high86.9Confident122 Ų12291.9 Ų91.953%0.5357%0.566SS.*PPolyproline II helixtrans-59.8119.5-179.5-173.2179.3-175.7-1770110.2S75 C76 H85 Y89S75-K87 WeakPolarHBondContact OG-CE 3.49Å; C76-K87 WeakPolarHBondContact O-CA 3.41Å; H85-K87 PolarHBondContact O-N 3.22Å; K87-Y89 WeakPolarHBondContact CE-OH 3.47Å; K87-Y89 PolarHBondContact NZ-OH 3.11Å
88V96.6Very high84.3Confident68 Ų6897.9 Ų97.941%0.41261%0.609SS.*EExtended strand (participates in β ladder)trans-112.3154.2174.7-62.90000110.3S75 C76 P86S75-V88 CarbonylContact C-O 3.52Å; S75-V88 WeakPolarHBondContact CA-O 3.29Å; C76-V88 HydrophobicContact CB-CG2 4.22Å; C76-V88 PolarHBondContact N-O 2.83Å; C76-V88 PolarHBondContact O-N 3.43Å; P86-V88 PolarHBondContact O-N 3.32Å; P86-V88 VanDerWaalsContact O-N 3.15Å
89Y95.5Very high83.8Confident157 Ų157100.2 Ų100.262%0.61661%0.613SS**EExtended strand (participates in β ladder)trans-111.1128.7175.1-64.1-86.8000109.6I73 T74 K87I73-Y89 HydrophobicContact CG2-CD1 4.17Å; T74-Y89 CarbonylContact O-C 3.36Å; T74-Y89 VanDerWaalsContact O-CA 3.29Å; T74-Y89 WeakPolarHBondContact O-CA 3.31Å; K87-Y89 WeakPolarHBondContact CE-OH 3.47Å; K87-Y89 PolarHBondContact NZ-OH 3.11Å
90I94.7Very high83.3Confident77 Ų77103.4 Ų103.440%0.39562%0.624SS.*EExtended strand (participates in β ladder)trans-111.5125.4-175.2-57.3167.6000108I73 T74 C76 L92I73-I90 WeakPolarHBondContact CA-O 3.49Å; T74-I90 HydrophobicContact CG2-CB 3.97Å; T74-I90 PolarHBondContact N-O 2.78Å; T74-I90 PolarHBondContact O-N 3.16Å; C76-I90 HydrophobicContact CB-CD1 4.19Å; I90-L92 HydrophobicContact CG2-CD2 4.1Å
91N93.1Very high82.8Confident94 Ų94105.9 Ų105.950%0.50363%0.625SS.*EExtended strand (participates in β ladder)trans-81.3130.5174.5-174.926.5000110.2N72 L93N72-N91 PolarHBondContact O-OD1 3.25Å; N91-L93 PolarHBondContact OD1-N 3.17Å
92L90.3Very high82.2Confident79 Ų79109.5 Ų109.541%0.41464%0.635SS.*  trans-114.55-180-59.9179.9000112.7C69 N72 T74 I90C69-L92 HydrophobicContact CB-CD1 3.77Å; N72-L92 PolarHBondContact O-N 3.35Å; T74-L92 HydrophobicContact CG2-CD1 3.91Å; T74-L92 HydrophobicContact CG2-CG 4.32Å; I90-L92 HydrophobicContact CG2-CD2 4.1Å
93L85Confident81.5Confident78 Ų78109.6 Ų109.641%0.40862%0.618SS.*  trans-68128.6172.4-72.5172.1000110.4N72 N91 S95N72-L93 HydrophobicContact CB-CD1 4.33Å; N72-L93 HydrophobicContact CB-CD2 3.92Å; N72-L93 HydrophobicContact CB-CG 3.87Å; N72-L93 WeakPolarHBondContact OD1-CD2 3.23Å; N91-L93 PolarHBondContact OD1-N 3.17Å; L93-S95 PolarHBondContact O-N 2.75Å
94P70Confident80.5Confident138 Ų138106 Ų10690%0.89660%0.603SS**  trans-77.261175.732.6-35000110.9
95S58.9Low79.4Confident70 Ų70111.2 Ų111.249%0.4962%0.621SS.*  trans-125.7119.1-179.859.10000110L93L93-S95 PolarHBondContact O-N 2.75Å
96C43Very low78.1Confident127 Ų127113.5 Ų113.586%0.85864%0.64SS**  trans105.335.2175.9-50.70000117.9
97I52.8Low76.5Confident164 Ų164113.9 Ų113.984%0.84164%0.635SS**  trans-97.6122.1150.2-54.8174.8000105.5
98P42Very low74.7Confident193 Ų193113.2 Ų113.2100%1.25364%0.644SS**  trans-61.20171.627.5-33.8000112

Retrieved 98 of 98 residues in 97.6 ms (Link to these results)