A0A087Y6Z8_POEFO Loading...

Unique cartilage matrix-associated protein

May be involved in the negative control of osteogenic differentiation of osteochondrogenic precursor cells in peripheral zones of fetal cartilage and at the cartilage-bone interface.

AlphaFold DB , UniProt , Accession A0A087Y6Z8, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 136 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M60.6Low79.5Confident214 Ų214115.9 Ų115.9100%1.05460%0.598SS**  053.60-68.9-158.9157.100111.9
2S66.6Low80.2Confident93 Ų93114.6 Ų114.665%0.6559%0.592SS**  trans-104.7-2217447.70000111.9R5 A6S2-R5 WeakPolarHBondContact O-CB 3.38Å; S2-R5 PolarHBondContact O-N 3.23Å; S2-A6 PolarHBondContact O-N 3.26Å; S2-A6 VanDerWaalsContact O-N 3.13Å
3W71.1Confident80.7Confident190 Ų190110 Ų11072%0.7258%0.576SS**Hα-helixtrans-68.5-37-176.8-160.535.6000112.8R5 A6 F7W3-R5 VanDerWaalsContact C-N 3.31Å; W3-R5 PolarHBondContact O-N 3.48Å; W3-A6 WeakPolarHBondContact O-CB 3.29Å; W3-A6 PolarHBondContact O-N 3.2Å; W3-F7 AromaticContact CD1-CE2 3.74Å; W3-F7 HydrophobicContact CD2-CD2 4.24Å; W3-F7 AromaticContact CD2-CE2 3.4Å; W3-F7 HydrophobicContact CD2-CE2 3.4Å; W3-F7 VanDerWaalsContact CD2-CE2 3.4Å; W3-F7 HydrophobicContact CD2-CZ 4.17Å; W3-F7 AromaticContact CE2-CE2 3.17Å; W3-F7 AromaticContact CE2-CZ 3.44Å; W3-F7 VanDerWaalsContact CE2-CZ 3.44Å; W3-F7 AromaticContact CE3-CE2 3.94Å; W3-F7 HydrophobicContact CE3-CE2 3.94Å; W3-F7 HydrophobicContact CG-CD2 4.23Å; W3-F7 AromaticContact CG-CE2 3.79Å; W3-F7 HydrophobicContact CG-CE2 3.79Å; W3-F7 HydrophobicContact CH2-CE2 4.05Å; W3-F7 HydrophobicContact CH2-CZ 4.16Å; W3-F7 AromaticContact CZ2-CE2 3.54Å; W3-F7 HydrophobicContact CZ2-CE2 3.54Å; W3-F7 AromaticContact CZ2-CZ 3.45Å; W3-F7 HydrophobicContact CZ2-CZ 3.45Å; W3-F7 VanDerWaalsContact CZ2-CZ 3.45Å; W3-F7 HydrophobicContact CZ3-CE2 4.23Å; W3-F7 AromaticContact NE1-CE2 3.38Å; W3-F7 AromaticContact NE1-CZ 3.55Å; W3-F7 WeakPolarHBondContact O-CD2 3.04Å; W3-F7 PolarHBondContact O-N 3.42Å
4T81.6Confident81.2Confident82 Ų82108.5 Ų108.550%0.50357%0.567SS.*Hα-helixtrans-61.8-38.917351.10000112F7 I8T4-F7 PolarHBondContact O-N 3.02Å; T4-I8 WeakPolarHBondContact O-CD1 3.48Å; T4-I8 WeakPolarHBondContact O-CG1 3.23Å; T4-I8 PolarHBondContact O-N 3.44Å
5R79.8Confident81.5Confident183 Ų183108.3 Ų108.369%0.69157%0.566SS**Hα-helixtrans-65.8-39.6175.9-62.1-177178.5-176.3-1.7111.6S2 W3 I8 L9S2-R5 WeakPolarHBondContact O-CB 3.38Å; S2-R5 PolarHBondContact O-N 3.23Å; W3-R5 VanDerWaalsContact C-N 3.31Å; W3-R5 PolarHBondContact O-N 3.48Å; R5-I8 PolarHBondContact O-N 3.47Å; R5-L9 WeakPolarHBondContact O-CB 3.47Å; R5-L9 VanDerWaalsContact O-CG 3.28Å; R5-L9 WeakPolarHBondContact O-CG 3.42Å; R5-L9 PolarHBondContact O-N 2.7Å
6A83.4Confident81.7Confident56 Ų56106.9 Ų106.946%0.46356%0.559SS.*Hα-helixtrans-63.4-42.8175.700000112.1S2 W3 L9 S10S2-A6 PolarHBondContact O-N 3.26Å; S2-A6 VanDerWaalsContact O-N 3.13Å; W3-A6 WeakPolarHBondContact O-CB 3.29Å; W3-A6 PolarHBondContact O-N 3.2Å; A6-L9 PolarHBondContact O-N 3.35Å; A6-S10 WeakPolarHBondContact O-CB 3.38Å; A6-S10 PolarHBondContact O-N 3.25Å
7F84.6Confident81.8Confident113 Ų113107.2 Ų107.250%0.49656%0.56SS.*Hα-helixtrans-64.5-41.6175.5-76.5-62.8000113.1W3 T4 S10 S11W3-F7 AromaticContact CD1-CE2 3.74Å; W3-F7 HydrophobicContact CD2-CD2 4.24Å; W3-F7 AromaticContact CD2-CE2 3.4Å; W3-F7 HydrophobicContact CD2-CE2 3.4Å; W3-F7 VanDerWaalsContact CD2-CE2 3.4Å; W3-F7 HydrophobicContact CD2-CZ 4.17Å; W3-F7 AromaticContact CE2-CE2 3.17Å; W3-F7 AromaticContact CE2-CZ 3.44Å; W3-F7 VanDerWaalsContact CE2-CZ 3.44Å; W3-F7 AromaticContact CE3-CE2 3.94Å; W3-F7 HydrophobicContact CE3-CE2 3.94Å; W3-F7 HydrophobicContact CG-CD2 4.23Å; W3-F7 AromaticContact CG-CE2 3.79Å; W3-F7 HydrophobicContact CG-CE2 3.79Å; W3-F7 HydrophobicContact CH2-CE2 4.05Å; W3-F7 HydrophobicContact CH2-CZ 4.16Å; W3-F7 AromaticContact CZ2-CE2 3.54Å; W3-F7 HydrophobicContact CZ2-CE2 3.54Å; W3-F7 AromaticContact CZ2-CZ 3.45Å; W3-F7 HydrophobicContact CZ2-CZ 3.45Å; W3-F7 VanDerWaalsContact CZ2-CZ 3.45Å; W3-F7 HydrophobicContact CZ3-CE2 4.23Å; W3-F7 AromaticContact NE1-CE2 3.38Å; W3-F7 AromaticContact NE1-CZ 3.55Å; W3-F7 WeakPolarHBondContact O-CD2 3.04Å; W3-F7 PolarHBondContact O-N 3.42Å; T4-F7 PolarHBondContact O-N 3.02Å; F7-S10 PolarHBondContact O-N 3.41Å; F7-S11 PolarHBondContact O-N 2.8Å; F7-S11 PolarHBondContact O-OG 2.92Å
8I86.1Confident81.7Confident105 Ų105106.8 Ų106.854%0.53856%0.557SS.*Hα-helixtrans-64.6-42.8177.9-67.2162.8000110.7T4 R5 S10 S11 L12T4-I8 WeakPolarHBondContact O-CD1 3.48Å; T4-I8 WeakPolarHBondContact O-CG1 3.23Å; T4-I8 PolarHBondContact O-N 3.44Å; R5-I8 PolarHBondContact O-N 3.47Å; I8-S10 VanDerWaalsContact C-N 3.33Å; I8-S10 PolarHBondContact O-N 3.26Å; I8-S11 PolarHBondContact O-N 2.88Å; I8-S11 PolarHBondContact O-OG 3.3Å; I8-L12 WeakPolarHBondContact O-CB 3.26Å; I8-L12 PolarHBondContact O-N 3.48Å
9L87.2Confident81.4Confident119 Ų119105.1 Ų105.162%0.62355%0.552SS**Hα-helixtrans-66.7-36.8177.3-71170.6000111.9R5 A6 S13R5-L9 WeakPolarHBondContact O-CB 3.47Å; R5-L9 VanDerWaalsContact O-CG 3.28Å; R5-L9 WeakPolarHBondContact O-CG 3.42Å; R5-L9 PolarHBondContact O-N 2.7Å; A6-L9 PolarHBondContact O-N 3.35Å; L9-S13 PolarHBondContact O-N 2.91Å; L9-S13 PolarHBondContact O-OG 3Å
10S87.4Confident81Confident61 Ų61106.7 Ų106.743%0.42755%0.554SS.*Hα-helixtrans-68.1-39.8175.5-179.20000112.8A6 F7 I8 S13 I14A6-S10 WeakPolarHBondContact O-CB 3.38Å; A6-S10 PolarHBondContact O-N 3.25Å; F7-S10 PolarHBondContact O-N 3.41Å; I8-S10 VanDerWaalsContact C-N 3.33Å; I8-S10 PolarHBondContact O-N 3.26Å; S10-S13 PolarHBondContact O-OG 3.36Å; S10-I14 WeakPolarHBondContact O-CD1 3.34Å; S10-I14 VanDerWaalsContact O-CG1 3.26Å; S10-I14 WeakPolarHBondContact O-CG1 3.46Å; S10-I14 PolarHBondContact O-N 3.16Å
11S85.9Confident80.2Confident59 Ų59105.1 Ų105.141%0.41355%0.552SS.*Hα-helixtrans-71.2-36.8177.563.10000111.2F7 I8 I14 L15F7-S11 PolarHBondContact O-N 2.8Å; F7-S11 PolarHBondContact O-OG 2.92Å; I8-S11 PolarHBondContact O-N 2.88Å; I8-S11 PolarHBondContact O-OG 3.3Å; S11-I14 PolarHBondContact O-N 3.1Å; S11-L15 WeakPolarHBondContact O-CG 3.38Å; S11-L15 PolarHBondContact O-N 3.19Å
12L87.9Confident80.2Confident100 Ų10098.8 Ų98.852%0.52453%0.529SS..Hα-helixtrans-63.6-41.6176-156.1101.1000111.6I8 L15 L16I8-L12 WeakPolarHBondContact O-CB 3.26Å; I8-L12 PolarHBondContact O-N 3.48Å; L12-L15 PolarHBondContact O-N 3.16Å; L12-L16 WeakPolarHBondContact O-CB 3.4Å; L12-L16 PolarHBondContact O-N 2.87Å
13S87.1Confident79.7Confident55 Ų5599.9 Ų99.939%0.38553%0.532SS..Hα-helixtrans-65.6-40.3178.168.10000112.3L9 S10 L16 I17L9-S13 PolarHBondContact O-N 2.91Å; L9-S13 PolarHBondContact O-OG 3Å; S10-S13 PolarHBondContact O-OG 3.36Å; S13-L16 WeakPolarHBondContact O-CB 3.09Å; S13-L16 PolarHBondContact O-N 3.38Å; S13-I17 WeakPolarHBondContact O-CG1 3.42Å; S13-I17 PolarHBondContact O-N 3.11Å
14I88.1Confident78.9Confident89 Ų8996.1 Ų96.146%0.45653%0.53SS..Hα-helixtrans-63.1-45175.5-66.6164.2000110.6S10 S11 L16 I17 I18S10-I14 WeakPolarHBondContact O-CD1 3.34Å; S10-I14 VanDerWaalsContact O-CG1 3.26Å; S10-I14 WeakPolarHBondContact O-CG1 3.46Å; S10-I14 PolarHBondContact O-N 3.16Å; S11-I14 PolarHBondContact O-N 3.1Å; I14-L16 VanDerWaalsContact C-N 3.28Å; I14-L16 PolarHBondContact O-N 3.46Å; I14-I17 PolarHBondContact O-N 3.1Å; I14-I18 HydrophobicContact CG2-CD1 3.84Å; I14-I18 VanDerWaalsContact O-CG1 3.3Å; I14-I18 WeakPolarHBondContact O-CG1 3.17Å; I14-I18 PolarHBondContact O-N 2.83Å
15L85.2Confident77.2Confident106 Ų106101 Ų10156%0.55554%0.544SS*.Hα-helixtrans-61-39.1175.7-76.6168.6000111.8S11 L12 I18 T19S11-L15 WeakPolarHBondContact O-CG 3.38Å; S11-L15 PolarHBondContact O-N 3.19Å; L12-L15 PolarHBondContact O-N 3.16Å; L15-I18 PolarHBondContact O-N 3.33Å; L15-T19 WeakPolarHBondContact O-CG2 3.33Å; L15-T19 PolarHBondContact O-N 3.21Å; L15-T19 PolarHBondContact O-OG1 3.12Å
16L84.8Confident75.9Confident86 Ų8697 Ų9745%0.4554%0.543SS..Hα-helixtrans-62.3-45.4175-131.5144.9000111L12 S13 I14 I18 T19 F20L12-L16 WeakPolarHBondContact O-CB 3.4Å; L12-L16 PolarHBondContact O-N 2.87Å; S13-L16 WeakPolarHBondContact O-CB 3.09Å; S13-L16 PolarHBondContact O-N 3.38Å; I14-L16 VanDerWaalsContact C-N 3.28Å; I14-L16 PolarHBondContact O-N 3.46Å; L16-I18 VanDerWaalsContact C-N 3.3Å; L16-I18 PolarHBondContact O-N 3.06Å; L16-T19 PolarHBondContact O-N 3.04Å; L16-T19 PolarHBondContact O-OG1 2.91Å; L16-F20 HydrophobicContact CD2-CD2 3.55Å; L16-F20 HydrophobicContact CD2-CE2 3.27Å; L16-F20 HydrophobicContact CD2-CZ 4.32Å; L16-F20 HydrophobicContact CG-CD2 4.44Å; L16-F20 HydrophobicContact CG-CE2 4.26Å; L16-F20 VanDerWaalsContact O-CD2 3.23Å; L16-F20 WeakPolarHBondContact O-CD2 3.46Å; L16-F20 PolarHBondContact O-N 3.01Å
17I83.6Confident74.2Confident112 Ų11299.6 Ų99.657%0.57457%0.565SS**Hα-helixtrans-61.7-40.7176.8-66.4162.3000111S13 I14 S21S13-I17 WeakPolarHBondContact O-CG1 3.42Å; S13-I17 PolarHBondContact O-N 3.11Å; I14-I17 PolarHBondContact O-N 3.1Å; I17-S21 VanDerWaalsContact O-CB 3.25Å; I17-S21 WeakPolarHBondContact O-CB 3.48Å; I17-S21 PolarHBondContact O-N 3.35Å; I17-S21 PolarHBondContact O-OG 2.84Å
18I79.3Confident72.6Confident100 Ų10097.5 Ų97.551%0.51357%0.569SS.*Hα-helixtrans-67.4-41.5179.4-66.7166.1000111.5I14 L15 L16 S21 S22I14-I18 HydrophobicContact CG2-CD1 3.84Å; I14-I18 VanDerWaalsContact O-CG1 3.3Å; I14-I18 WeakPolarHBondContact O-CG1 3.17Å; I14-I18 PolarHBondContact O-N 2.83Å; L15-I18 PolarHBondContact O-N 3.33Å; L16-I18 VanDerWaalsContact C-N 3.3Å; L16-I18 PolarHBondContact O-N 3.06Å; I18-S21 PolarHBondContact O-N 2.94Å; I18-S22 PolarHBondContact O-N 2.82Å
19T76.4Confident70.6Confident73 Ų7398.6 Ų98.645%0.44858%0.58SS.*Hα-helixtrans-70.1-37.6178.656.30000112.3L15 L16 S22 V23L15-T19 WeakPolarHBondContact O-CG2 3.33Å; L15-T19 PolarHBondContact O-N 3.21Å; L15-T19 PolarHBondContact O-OG1 3.12Å; L16-T19 PolarHBondContact O-N 3.04Å; L16-T19 PolarHBondContact O-OG1 2.91Å; T19-S22 PolarHBondContact O-N 3.22Å; T19-S22 PolarHBondContact O-OG 3.4Å; T19-V23 VanDerWaalsContact O-CG2 3.3Å; T19-V23 WeakPolarHBondContact O-CG2 3.09Å; T19-V23 PolarHBondContact O-N 2.98Å; T19-V23 VanDerWaalsContact O-N 3.12Å
20F72.5Confident68.6Low138 Ų138102.3 Ų102.361%0.60559%0.586SS**Hα-helixtrans-69.8-34.9173.2-83.4-94.4000111.9L16 S22 V23 V24L16-F20 HydrophobicContact CD2-CD2 3.55Å; L16-F20 HydrophobicContact CD2-CE2 3.27Å; L16-F20 HydrophobicContact CD2-CZ 4.32Å; L16-F20 HydrophobicContact CG-CD2 4.44Å; L16-F20 HydrophobicContact CG-CE2 4.26Å; L16-F20 VanDerWaalsContact O-CD2 3.23Å; L16-F20 WeakPolarHBondContact O-CD2 3.46Å; L16-F20 PolarHBondContact O-N 3.01Å; F20-S22 VanDerWaalsContact C-N 3.34Å; F20-S22 PolarHBondContact O-N 3.29Å; F20-V23 PolarHBondContact O-N 2.81Å; F20-V24 PolarHBondContact O-N 2.85Å
21S64.8Low66.9Low73 Ų73106.9 Ų106.951%0.5161%0.606SS.*Hα-helixtrans-68.8-29.5174.6-58.30000113I17 I18 V24I17-S21 VanDerWaalsContact O-CB 3.25Å; I17-S21 WeakPolarHBondContact O-CB 3.48Å; I17-S21 PolarHBondContact O-N 3.35Å; I17-S21 PolarHBondContact O-OG 2.84Å; I18-S21 PolarHBondContact O-N 2.94Å; S21-V24 CarbonylContact O-C 3.58Å
22S60.8Low65.1Low82 Ų82109.3 Ų109.357%0.57361%0.614SS**Hα-helixtrans-79.4-25.3173.670.20000113.2I18 T19 F20I18-S22 PolarHBondContact O-N 2.82Å; T19-S22 PolarHBondContact O-N 3.22Å; T19-S22 PolarHBondContact O-OG 3.4Å; F20-S22 VanDerWaalsContact C-N 3.34Å; F20-S22 PolarHBondContact O-N 3.29Å
23V56.4Low63.5Low116 Ų116110.4 Ų110.470%0.70363%0.63SS**Hα-helixtrans-72.2-31.3170.2171.10000111.2T19 F20 K25T19-V23 VanDerWaalsContact O-CG2 3.3Å; T19-V23 WeakPolarHBondContact O-CG2 3.09Å; T19-V23 PolarHBondContact O-N 2.98Å; T19-V23 VanDerWaalsContact O-N 3.12Å; F20-V23 PolarHBondContact O-N 2.81Å; V23-K25 PolarHBondContact O-N 2.98Å
24V53Low61.9Low111 Ų111116.5 Ų116.567%0.67365%0.65SS**SBendtrans-73.871.8160.1-175.30000107.9F20 S21 S26F20-V24 PolarHBondContact O-N 2.85Å; S21-V24 CarbonylContact O-C 3.58Å; V24-S26 PolarHBondContact O-N 3.32Å
25K47.7Very low60.1Low185 Ų185118 Ų11880%0.80467%0.665SS**  trans-43113.3167.6-106.4164.9173.3155.30107.9V23 A27V23-K25 PolarHBondContact O-N 2.98Å; K25-A27 PolarHBondContact O-N 3.38Å
26S51.8Low58.5Low97 Ų97117.3 Ų117.368%0.67868%0.675SS**  trans-33.6133.8171.1-61.30000110.9V24 A28V24-S26 PolarHBondContact O-N 3.32Å; S26-A28 PolarHBondContact O-N 3.44Å
27A47.5Very low57.2Low112 Ų112119.1 Ų119.193%0.92669%0.685SS**  trans-66.436154.500000111K25 V29K25-A27 PolarHBondContact O-N 3.38Å; A27-V29 PolarHBondContact O-N 3.46Å; A27-V29 VanDerWaalsContact O-N 3.16Å
28A50.5Low55.9Low69 Ų69117.1 Ų117.157%0.5769%0.685SS**  trans-75.7103.2171.300000105.9S26 R30S26-A28 PolarHBondContact O-N 3.44Å; A28-R30 PolarHBondContact O-N 3.24Å; A28-R30 VanDerWaalsContact O-N 3.14Å
29V44.4Very low54.8Low128 Ų128117.4 Ų117.478%0.77668%0.684SS**  trans-47.1119.8158.1173.10000106.4A27 D31A27-V29 PolarHBondContact O-N 3.46Å; A27-V29 VanDerWaalsContact O-N 3.16Å; V29-D31 PolarHBondContact O-N 2.71Å
30R46.4Very low53.9Low196 Ų196116.7 Ų116.774%0.7469%0.691SS**  trans-68.8124.6171.3-63.6-163-175.4-174.21.3107.3A28 D32A28-R30 PolarHBondContact O-N 3.24Å; A28-R30 VanDerWaalsContact O-N 3.14Å; R30-D32 HydrophobicContact CB-CB 4.21Å; R30-D32 WeakPolarHBondContact CD-OD2 3.35Å; R30-D32 IonicContact NH1-OD2 3.61Å; R30-D32 PolarHBondContact O-N 2.97Å
31D50.1Low53.3Low158 Ų158113.7 Ų113.785%0.84569%0.692SS**  trans-72.240.5163.6-82.2-26000111V29 S33V29-D31 PolarHBondContact O-N 2.71Å; D31-S33 PolarHBondContact O-N 3.3Å; D31-S33 VanDerWaalsContact O-N 3.08Å
32D49.1Very low52.9Low110 Ų110112.4 Ų112.459%0.58869%0.686SS**  trans-77.397.6168.9-67.5-21.1000105.6R30 K34R30-D32 HydrophobicContact CB-CB 4.21Å; R30-D32 WeakPolarHBondContact CD-OD2 3.35Å; R30-D32 IonicContact NH1-OD2 3.61Å; R30-D32 PolarHBondContact O-N 2.97Å; D32-K34 PolarHBondContact O-N 3.32Å
33S54.4Low52.8Low122 Ų122116.7 Ų116.785%0.85369%0.689SS**SBendtrans-68.950.9-178.751.30000113.6D31D31-S33 PolarHBondContact O-N 3.3Å; D31-S33 VanDerWaalsContact O-N 3.08Å
34K53.8Low53Low184 Ų184119.5 Ų119.580%0.870%0.695SS**  trans-144.2105163-119.9176.5-178.2177.70109D32 A36D32-K34 PolarHBondContact O-N 3.32Å; K34-A36 PolarHBondContact O-N 2.94Å
35P49.2Very low53.7Low121 Ų121119.6 Ų119.679%0.78670%0.695SS**  trans-66.8101.2170.427.7-30.7000107.4D37P35-D37 PolarHBondContact O-N 3.49Å
36A52.2Low54.8Low91 Ų91118.1 Ų118.175%0.75269%0.689SS**  trans-57.9121.7154.700000105.6K34 A38K34-A36 PolarHBondContact O-N 2.94Å; A36-A38 VanDerWaalsContact C-N 3.34Å; A36-A38 PolarHBondContact O-N 3.43Å
37D57.9Low56Low124 Ų124118 Ų11866%0.66368%0.679SS**  trans-41.588.6-168.3-73.5-63.3000114P35 Q39P35-D37 PolarHBondContact O-N 3.49Å; D37-Q39 HydrophobicContact CB-CB 4.36Å; D37-Q39 HydrophobicContact CB-CG 4.09Å; D37-Q39 PolarHBondContact O-N 3.33Å; D37-Q39 PolarHBondContact OD1-NE2 2.97Å
38A55.7Low57.5Low70 Ų70115.3 Ų115.358%0.57966%0.657SS**  trans-77.250.6165.900000108.8A36 G40 A42A36-A38 VanDerWaalsContact C-N 3.34Å; A36-A38 PolarHBondContact O-N 3.43Å; A38-G40 VanDerWaalsContact C-N 3.33Å; A38-G40 PolarHBondContact O-N 3.44Å; A38-A42 HydrophobicContact CB-CB 4.46Å
39Q55.9Low58.6Low105 Ų105120.4 Ų120.449%0.49167%0.669SS.*  trans-78.2-14.8-168.5-94.1179.621.600113.6D37 R43D37-Q39 HydrophobicContact CB-CB 4.36Å; D37-Q39 HydrophobicContact CB-CG 4.09Å; D37-Q39 PolarHBondContact O-N 3.33Å; D37-Q39 PolarHBondContact OD1-NE2 2.97Å; Q39-R43 WeakPolarHBondContact O-CD 3.34Å
40G58Low60Low58 Ų58118 Ų11860%0.59866%0.657SS**SBendtrans-91.2-61.3-17500000114.7A38A38-G40 VanDerWaalsContact C-N 3.33Å; A38-G40 PolarHBondContact O-N 3.44Å
41A59.4Low61.4Low75 Ų75112.8 Ų112.862%0.6265%0.645SS**SBendtrans-89.5-39.4-168.700000113.8R43 Q44A41-R43 VanDerWaalsContact C-N 3.34Å; A41-R43 PolarHBondContact O-N 3.27Å; A41-Q44 PolarHBondContact O-N 3.43Å
42A57.2Low62.7Low47 Ų47106.2 Ų106.239%0.38861%0.612SS.*Hα-helixtrans-69.9-31.9-177.900000112.4A38 Q44 V45 F46A38-A42 HydrophobicContact CB-CB 4.46Å; A42-Q44 VanDerWaalsContact C-N 3.28Å; A42-Q44 PolarHBondContact O-N 2.91Å; A42-V45 PolarHBondContact O-N 2.94Å; A42-F46 WeakPolarHBondContact O-CD2 3.49Å; A42-F46 PolarHBondContact O-N 2.66Å
43R58.4Low63.7Low171 Ų171103.8 Ų103.865%0.64560%0.604SS**Hα-helixtrans-69.3-20.7174.7-76.3-170.6174.4-178.1-0.6114Q39 A41 F46Q39-R43 WeakPolarHBondContact O-CD 3.34Å; A41-R43 VanDerWaalsContact C-N 3.34Å; A41-R43 PolarHBondContact O-N 3.27Å; R43-F46 VanDerWaalsContact O-O 3.1Å
44Q60.7Low64.3Low176 Ų176102.4 Ų102.482%0.82259%0.587SS**Hα-helixtrans-79.1-31.4175.1-88.9-178.3-3.100112.5A41 A42A41-Q44 PolarHBondContact O-N 3.43Å; A42-Q44 VanDerWaalsContact C-N 3.28Å; A42-Q44 PolarHBondContact O-N 2.91Å
45V67.1Low65Low112 Ų11298.9 Ų98.968%0.67957%0.572SS**Hα-helixtrans-88-33.6180-177.20000111.4A42A42-V45 PolarHBondContact O-N 2.94Å
46F70.7Confident65.7Low154 Ų15499.4 Ų99.468%0.67556%0.562SS**SBendtrans-113.7121.2-178.9-61.3-75.9000111.5A42 R43A42-F46 WeakPolarHBondContact O-CD2 3.49Å; A42-F46 PolarHBondContact O-N 2.66Å; R43-F46 VanDerWaalsContact O-O 3.1Å
47M77.8Confident66.1Low95 Ų9598 Ų9847%0.46855%0.547SS..  trans-67.9144.1173.1-178.617053.400110.9D51 A52 F55M47-D51 HydrophobicContact CG-CB 3.56Å; M47-D51 HydrophobicContact SD-CB 3.78Å; M47-A52 VanDerWaalsContact CE-CA 3.48Å; M47-A52 HydrophobicContact CE-CB 3.78Å; M47-F55 HydrophobicContact CE-CD2 3.4Å; M47-F55 HydrophobicContact CE-CE2 3.36Å; M47-F55 HydrophobicContact CE-CG 4.25Å; M47-F55 HydrophobicContact CE-CZ 4.16Å; M47-F55 HydrophobicContact SD-CD2 3.93Å; M47-F55 HydrophobicContact SD-CE2 3.29Å; M47-F55 WeakPolarHBondContact SD-CE2 3.34Å; M47-F55 HydrophobicContact SD-CZ 4.05Å
48A79.6Confident65.9Low55 Ų5598.1 Ų98.146%0.45554%0.543SS..  trans-59.8146.1177.300000111.7S50 D51 A52A48-S50 VanDerWaalsContact C-N 3.28Å; A48-S50 PolarHBondContact O-N 2.6Å; A48-D51 PolarHBondContact O-N 2.89Å; A48-A52 PolarHBondContact O-N 3.31Å
49E73Confident65.9Low177 Ų177101.1 Ų101.183%0.82754%0.543SS*.Hα-helixtrans-57.1-39.5-176.2-174.4-178.3172.100112.8D51 A52 S53E49-D51 VanDerWaalsContact C-N 3.33Å; E49-D51 PolarHBondContact O-N 2.76Å; E49-A52 PolarHBondContact O-N 3.15Å; E49-S53 WeakPolarHBondContact O-CB 3.39Å; E49-S53 PolarHBondContact O-N 3.02Å
50S74.4Confident65.8Low76 Ų76106.9 Ų106.953%0.53156%0.56SS.*Hα-helixtrans-60.2-42.1175.853.60000112.1A48 S53 N54A48-S50 VanDerWaalsContact C-N 3.28Å; A48-S50 PolarHBondContact O-N 2.6Å; S50-S53 PolarHBondContact O-OG 3.3Å; S50-N54 PolarHBondContact O-ND2 3.31Å
51D75.9Confident65.5Low88 Ų88113.6 Ų113.647%0.47157%0.568SS.*Hα-helixtrans-73.5-39.6177.9-72.7-15.4000111.1M47 A48 E49 S53 N54 F55M47-D51 HydrophobicContact CG-CB 3.56Å; M47-D51 HydrophobicContact SD-CB 3.78Å; A48-D51 PolarHBondContact O-N 2.89Å; E49-D51 VanDerWaalsContact C-N 3.33Å; E49-D51 PolarHBondContact O-N 2.76Å; D51-S53 VanDerWaalsContact C-N 3.32Å; D51-S53 PolarHBondContact O-N 2.97Å; D51-N54 WeakPolarHBondContact O-CB 3.46Å; D51-N54 PolarHBondContact O-N 2.96Å; D51-F55 VanDerWaalsContact O-CD2 3.23Å; D51-F55 WeakPolarHBondContact O-CD2 3.49Å
52A75.5Confident65.2Low20 Ų20114.7 Ų114.717%0.16557%0.571CS.*Hα-helixtrans-63.3-36.2175.200000112.9M47 A48 E49 N54 F55 F56M47-A52 VanDerWaalsContact CE-CA 3.48Å; M47-A52 HydrophobicContact CE-CB 3.78Å; A48-A52 PolarHBondContact O-N 3.31Å; E49-A52 PolarHBondContact O-N 3.15Å; A52-N54 PolarHBondContact O-N 3.25Å; A52-F55 WeakPolarHBondContact O-CB 3.38Å; A52-F55 PolarHBondContact O-N 3.47Å; A52-F56 HydrophobicContact CB-CE2 4.38Å; A52-F56 WeakPolarHBondContact O-CD2 3.44Å; A52-F56 PolarHBondContact O-N 2.8Å
53S70.9Confident65.2Low59 Ų59123.5 Ų123.541%0.41359%0.594SS.*Hα-helixtrans-60.2-31.217979.30000112E49 S50 D51 F56 S57E49-S53 WeakPolarHBondContact O-CB 3.39Å; E49-S53 PolarHBondContact O-N 3.02Å; S50-S53 PolarHBondContact O-OG 3.3Å; D51-S53 VanDerWaalsContact C-N 3.32Å; D51-S53 PolarHBondContact O-N 2.97Å; S53-F56 PolarHBondContact O-N 2.9Å; S53-S57 WeakPolarHBondContact O-CB 3.33Å; S53-S57 PolarHBondContact O-N 3.08Å; S53-S57 PolarHBondContact O-OG 2.81Å
54N67.9Low65.4Low92 Ų92125.1 Ų125.149%0.49260%0.6SS.*Hα-helixtrans-68.6-32.6174.8-69.9-40.6000112.3S50 D51 A52 F56 S57 Q58S50-N54 PolarHBondContact O-ND2 3.31Å; D51-N54 WeakPolarHBondContact O-CB 3.46Å; D51-N54 PolarHBondContact O-N 2.96Å; A52-N54 PolarHBondContact O-N 3.25Å; N54-F56 VanDerWaalsContact C-N 3.32Å; N54-F56 PolarHBondContact O-N 3.43Å; N54-S57 WeakPolarHBondContact CA-OG 3.07Å; N54-S57 PolarHBondContact O-OG 2.94Å; N54-Q58 WeakPolarHBondContact O-CB 3.3Å; N54-Q58 PolarHBondContact O-N 3.13Å
55F67.9Low65.5Low110 Ų110121 Ų12148%0.48259%0.591SS.*Hα-helixtrans-67.7-34.4172.7-69.5-95.7000111.7M47 D51 A52 K59M47-F55 HydrophobicContact CE-CD2 3.4Å; M47-F55 HydrophobicContact CE-CE2 3.36Å; M47-F55 HydrophobicContact CE-CG 4.25Å; M47-F55 HydrophobicContact CE-CZ 4.16Å; M47-F55 HydrophobicContact SD-CD2 3.93Å; M47-F55 HydrophobicContact SD-CE2 3.29Å; M47-F55 WeakPolarHBondContact SD-CE2 3.34Å; M47-F55 HydrophobicContact SD-CZ 4.05Å; D51-F55 VanDerWaalsContact O-CD2 3.23Å; D51-F55 WeakPolarHBondContact O-CD2 3.49Å; A52-F55 WeakPolarHBondContact O-CB 3.38Å; A52-F55 PolarHBondContact O-N 3.47Å; F55-K59 WeakPolarHBondContact O-CB 3.45Å; F55-K59 WeakPolarHBondContact O-CD 3.38Å; F55-K59 WeakPolarHBondContact O-CG 3.36Å; F55-K59 PolarHBondContact O-N 3.29Å
56F64.5Low65.6Low132 Ų132121.8 Ų121.858%0.57960%0.598SS**Hα-helixtrans-78.4-36.6176.8-63-69.9000112.8A52 S53 N54 K59 R60A52-F56 HydrophobicContact CB-CE2 4.38Å; A52-F56 WeakPolarHBondContact O-CD2 3.44Å; A52-F56 PolarHBondContact O-N 2.8Å; S53-F56 PolarHBondContact O-N 2.9Å; N54-F56 VanDerWaalsContact C-N 3.32Å; N54-F56 PolarHBondContact O-N 3.43Å; F56-K59 HydrophobicContact CD1-CD 4.41Å; F56-K59 CarbonylContact O-C 3.57Å; F56-K59 WeakPolarHBondContact O-CB 3.39Å; F56-K59 PolarHBondContact O-N 2.81Å; F56-R60 PolarHBondContact O-N 2.94Å
57S58.8Low65.6Low63 Ų63118.5 Ų118.544%0.44158%0.584SS.*Hα-helixtrans-72-36175.974.10000111.7S53 N54 R60S53-S57 WeakPolarHBondContact O-CB 3.33Å; S53-S57 PolarHBondContact O-N 3.08Å; S53-S57 PolarHBondContact O-OG 2.81Å; N54-S57 WeakPolarHBondContact CA-OG 3.07Å; N54-S57 PolarHBondContact O-OG 2.94Å; S57-R60 WeakPolarHBondContact O-CB 3.06Å; S57-R60 PolarHBondContact O-N 3.02Å; S57-R60 VanDerWaalsContact O-N 3.12Å
58Q55.3Low65.8Low125 Ų125117 Ų11758%0.58458%0.583SS**Hα-helixtrans-72.5-31.3171.1-153.3168.443.300111.1N54 R60 R61N54-Q58 WeakPolarHBondContact O-CB 3.3Å; N54-Q58 PolarHBondContact O-N 3.13Å; Q58-R60 VanDerWaalsContact C-N 3.27Å; Q58-R60 PolarHBondContact O-N 3.19Å; Q58-R61 VanDerWaalsContact O-CB 3.26Å; Q58-R61 WeakPolarHBondContact O-CB 3.42Å; Q58-R61 PolarHBondContact O-N 3.32Å
59K54.6Low66.2Low134 Ų134123.2 Ų123.258%0.58360%0.596SS**Hα-helixtrans-67.7-16.4165.4-81.7173.2-174.7-178.90113.9F55 F56 R61 S62F55-K59 WeakPolarHBondContact O-CB 3.45Å; F55-K59 WeakPolarHBondContact O-CD 3.38Å; F55-K59 WeakPolarHBondContact O-CG 3.36Å; F55-K59 PolarHBondContact O-N 3.29Å; F56-K59 HydrophobicContact CD1-CD 4.41Å; F56-K59 CarbonylContact O-C 3.57Å; F56-K59 WeakPolarHBondContact O-CB 3.39Å; F56-K59 PolarHBondContact O-N 2.81Å; K59-R61 PolarHBondContact O-N 3.09Å; K59-S62 WeakPolarHBondContact O-CA 3.48Å; K59-S62 WeakPolarHBondContact O-CB 3.4Å; K59-S62 PolarHBondContact O-N 3.23Å; K59-S62 PolarHBondContact O-OG 2.81Å
60R54.4Low67Low225 Ų225117.7 Ų117.785%0.84958%0.58SS**THydrogen-bonded Turntrans-67.7-7.3166-69.7-176.3178.2176.90.1112.5F56 S57 Q58 S62F56-R60 PolarHBondContact O-N 2.94Å; S57-R60 WeakPolarHBondContact O-CB 3.06Å; S57-R60 PolarHBondContact O-N 3.02Å; S57-R60 VanDerWaalsContact O-N 3.12Å; Q58-R60 VanDerWaalsContact C-N 3.27Å; Q58-R60 PolarHBondContact O-N 3.19Å; R60-S62 PolarHBondContact O-N 3.29Å
61R51.8Low67.7Low199 Ų199118.7 Ų118.775%0.75158%0.576SS**THydrogen-bonded Turntrans-78.118.9157.9-60.9-174.9-172.7179.52.5113.3Q58 K59 R63Q58-R61 VanDerWaalsContact O-CB 3.26Å; Q58-R61 WeakPolarHBondContact O-CB 3.42Å; Q58-R61 PolarHBondContact O-N 3.32Å; K59-R61 PolarHBondContact O-N 3.09Å; R61-R63 CarbonylContact O-C 3.57Å; R61-R63 VanDerWaalsContact O-C 3.3Å; R61-R63 PolarHBondContact O-N 3.29Å; R61-R63 VanDerWaalsContact O-O 3.1Å
62S52.1Low68.4Low99 Ų99116.9 Ų116.969%0.69257%0.569SS**  trans-70.611.5173.371.50000114.5K59 R60 R64K59-S62 WeakPolarHBondContact O-CA 3.48Å; K59-S62 WeakPolarHBondContact O-CB 3.4Å; K59-S62 PolarHBondContact O-N 3.23Å; K59-S62 PolarHBondContact O-OG 2.81Å; R60-S62 PolarHBondContact O-N 3.29Å; S62-R64 PolarHBondContact O-N 3.16Å; S62-R64 VanDerWaalsContact O-N 3.1Å
63R58.3Low69.2Low232 Ų232119.5 Ų119.588%0.87558%0.577SS**SBendtrans-75.387.9144-68.5179.6104.9110.9-3105.2R61 S65R61-R63 CarbonylContact O-C 3.57Å; R61-R63 VanDerWaalsContact O-C 3.3Å; R61-R63 PolarHBondContact O-N 3.29Å; R61-R63 VanDerWaalsContact O-O 3.1Å; R63-S65 PolarHBondContact O-N 3.4Å; R63-S65 VanDerWaalsContact O-N 3.11Å
64R61.3Low70.3Confident204 Ų204119.5 Ų119.577%0.7758%0.581SS**  trans-34.9125.9160.6-68.6175.2176.3154-1.5106S62S62-R64 PolarHBondContact O-N 3.16Å; S62-R64 VanDerWaalsContact O-N 3.1Å
65S64.1Low71.5Confident89 Ų89118.8 Ų118.862%0.62258%0.575SS**  trans-44.8138.6168.451.40000107.1R63 K67R63-S65 PolarHBondContact O-N 3.4Å; R63-S65 VanDerWaalsContact O-N 3.11Å; S65-K67 PolarHBondContact O-N 3.14Å
66P68.8Low72.8Confident129 Ų129118.2 Ų118.284%0.83857%0.573SS**  trans-45.7117.5178.2-5.42.5000107.2S68P66-S68 PolarHBondContact O-N 3.35Å; P66-S68 VanDerWaalsContact O-N 3.16Å
67K70.7Confident74.3Confident85 Ų85119.5 Ų119.537%0.3757%0.574SS.*  trans-51.5129.2-173.4-90.7-175165.91760107.5S65 Y69 V72 E75S65-K67 PolarHBondContact O-N 3.14Å; K67-Y69 PolarHBondContact O-N 2.72Å; K67-V72 HydrophobicContact CB-CG2 3.73Å; K67-V72 HydrophobicContact CD-CG2 4.23Å; K67-E75 WeakPolarHBondContact CE-OE1 3.45Å; K67-E75 IonicContact NZ-OE1 2.6Å; K67-E75 PolarHBondContact NZ-OE1 3.35Å; K67-E75 IonicContact NZ-OE2 2.66Å; K67-E75 PolarHBondContact NZ-OE2 3.18Å
68S82.5Confident76.1Confident64 Ų64123.4 Ų123.445%0.44859%0.587SS.*  trans-60142.5177.1177.30000108.3P66 A70 E71 V72P66-S68 PolarHBondContact O-N 3.35Å; P66-S68 VanDerWaalsContact O-N 3.16Å; S68-A70 PolarHBondContact O-N 3.3Å; S68-A70 VanDerWaalsContact O-N 3.1Å; S68-E71 PolarHBondContact N-OE2 2.81Å; S68-E71 WeakPolarHBondContact O-CB 3.36Å; S68-E71 PolarHBondContact O-N 3.08Å; S68-V72 PolarHBondContact O-N 3.09Å; S68-V72 VanDerWaalsContact O-N 3.16Å
69Y87.8Confident78Confident186 Ų186124.6 Ų124.673%0.72959%0.591SS**Hα-helixtrans-52.3-36.8179.3-179.8-98.6000111.9K67 E71 V72 Q73K67-Y69 PolarHBondContact O-N 2.72Å; Y69-E71 PolarHBondContact O-N 3.36Å; Y69-V72 PolarHBondContact O-N 3.41Å; Y69-Q73 PolarHBondContact O-N 3.18Å
70A89.8Confident80Confident60 Ų60125.7 Ų125.750%0.49659%0.591SS.*Hα-helixtrans-62.7-39.717600000113.1S68 Q73 A74S68-A70 PolarHBondContact O-N 3.3Å; S68-A70 VanDerWaalsContact O-N 3.1Å; A70-Q73 PolarHBondContact O-N 2.83Å; A70-A74 WeakPolarHBondContact O-CB 3.42Å; A70-A74 PolarHBondContact O-N 3.41Å
71E88.1Confident82Confident97 Ų97117 Ų11745%0.45357%0.567SS.*Hα-helixtrans-66.7-42.9177.6-64.9170.5175.900110.9S68 Y69 Q73 A74 E75S68-E71 PolarHBondContact N-OE2 2.81Å; S68-E71 WeakPolarHBondContact O-CB 3.36Å; S68-E71 PolarHBondContact O-N 3.08Å; Y69-E71 PolarHBondContact O-N 3.36Å; E71-Q73 VanDerWaalsContact C-N 3.3Å; E71-Q73 PolarHBondContact O-N 3.24Å; E71-A74 PolarHBondContact O-N 3.46Å; E71-E75 WeakPolarHBondContact O-CG 3.38Å; E71-E75 PolarHBondContact O-N 2.85Å
72V90.6Very high84.2Confident51 Ų51109.1 Ų109.131%0.30954%0.544SS..Hα-helixtrans-61.7-42.3176.6179.70000110.5K67 S68 Y69 E75 Q76K67-V72 HydrophobicContact CB-CG2 3.73Å; K67-V72 HydrophobicContact CD-CG2 4.23Å; S68-V72 PolarHBondContact O-N 3.09Å; S68-V72 VanDerWaalsContact O-N 3.16Å; Y69-V72 PolarHBondContact O-N 3.41Å; V72-E75 PolarHBondContact O-N 3.44Å; V72-Q76 WeakPolarHBondContact O-CB 3.41Å; V72-Q76 WeakPolarHBondContact O-CG 3.41Å; V72-Q76 PolarHBondContact O-N 3.05Å
73Q94Very high86.3Confident75 Ų75107.9 Ų107.935%0.3554%0.536SS..Hα-helixtrans-66-42.5177.9-167.2177.637.500111.9Y69 A70 E71 Q76 R77Y69-Q73 PolarHBondContact O-N 3.18Å; A70-Q73 PolarHBondContact O-N 2.83Å; E71-Q73 VanDerWaalsContact C-N 3.3Å; E71-Q73 PolarHBondContact O-N 3.24Å; Q73-Q76 PolarHBondContact O-N 2.86Å; Q73-R77 WeakPolarHBondContact O-CG 3.19Å; Q73-R77 PolarHBondContact O-N 3.03Å
74A92.8Very high88.2Confident58 Ų58101.9 Ų101.948%0.47952%0.518SS..Hα-helixtrans-61.7-43.8175.800000111.8A70 E71 Q76 R77 M78A70-A74 WeakPolarHBondContact O-CB 3.42Å; A70-A74 PolarHBondContact O-N 3.41Å; E71-A74 PolarHBondContact O-N 3.46Å; A74-Q76 PolarHBondContact O-N 2.98Å; A74-R77 PolarHBondContact O-N 3.32Å; A74-M78 PolarHBondContact O-N 2.88Å
75E92.4Very high89.9Confident78 Ų7899.9 Ų99.936%0.36451%0.51SS..Hα-helixtrans-63.5-40.6175.3-75.1-176.717100112.6K67 E71 V72 R77 M78 K79K67-E75 WeakPolarHBondContact CE-OE1 3.45Å; K67-E75 IonicContact NZ-OE1 2.6Å; K67-E75 PolarHBondContact NZ-OE1 3.35Å; K67-E75 IonicContact NZ-OE2 2.66Å; K67-E75 PolarHBondContact NZ-OE2 3.18Å; E71-E75 WeakPolarHBondContact O-CG 3.38Å; E71-E75 PolarHBondContact O-N 2.85Å; V72-E75 PolarHBondContact O-N 3.44Å; E75-R77 VanDerWaalsContact C-N 3.35Å; E75-M78 PolarHBondContact O-N 3.33Å; E75-K79 WeakPolarHBondContact O-CG 3.42Å; E75-K79 PolarHBondContact O-N 2.85Å
76Q95.8Very high91.4Very high97 Ų97104.7 Ų104.745%0.45352%0.515SS..Hα-helixtrans-63.7-41.5176-77.3-176.63.500111.7V72 Q73 A74 M78 K79 R80V72-Q76 WeakPolarHBondContact O-CB 3.41Å; V72-Q76 WeakPolarHBondContact O-CG 3.41Å; V72-Q76 PolarHBondContact O-N 3.05Å; Q73-Q76 PolarHBondContact O-N 2.86Å; A74-Q76 PolarHBondContact O-N 2.98Å; Q76-M78 VanDerWaalsContact C-N 3.34Å; Q76-K79 PolarHBondContact O-N 2.84Å; Q76-R80 WeakPolarHBondContact O-CG 3.49Å; Q76-R80 PolarHBondContact O-N 2.93Å
77R96.1Very high92.7Very high159 Ų159106 Ų10660%0.650%0.503SS*.Hα-helixtrans-60.8-44.6174.4-71.9175-175.4174.64.3111.2Q73 A74 E75 K79 R80 A81Q73-R77 WeakPolarHBondContact O-CG 3.19Å; Q73-R77 PolarHBondContact O-N 3.03Å; A74-R77 PolarHBondContact O-N 3.32Å; E75-R77 VanDerWaalsContact C-N 3.35Å; R77-K79 VanDerWaalsContact C-N 3.34Å; R77-K79 PolarHBondContact O-N 3.12Å; R77-R80 PolarHBondContact O-N 3.15Å; R77-A81 WeakPolarHBondContact O-CB 3.18Å; R77-A81 PolarHBondContact O-N 3.22Å
78M95.9Very high93.9Very high146 Ų146106.6 Ų106.672%0.71951%0.507SS*.Hα-helixtrans-60.2-43.6176.5-169.9-163.9-157.900112A74 E75 Q76 A81 A82A74-M78 PolarHBondContact O-N 2.88Å; E75-M78 PolarHBondContact O-N 3.33Å; Q76-M78 VanDerWaalsContact C-N 3.34Å; M78-A81 PolarHBondContact O-N 3.41Å; M78-A82 WeakPolarHBondContact O-CB 3.3Å; M78-A82 PolarHBondContact O-N 2.86Å
79K96.3Very high94.6Very high150 Ų150110 Ų11065%0.65251%0.511SS*.Hα-helixtrans-63.5-42177.1-74.7179.3-179.4-177.50112.2E75 Q76 R77 A82 S83E75-K79 WeakPolarHBondContact O-CG 3.42Å; E75-K79 PolarHBondContact O-N 2.85Å; Q76-K79 PolarHBondContact O-N 2.84Å; R77-K79 VanDerWaalsContact C-N 3.34Å; R77-K79 PolarHBondContact O-N 3.12Å; K79-A82 PolarHBondContact O-N 3.46Å; K79-S83 WeakPolarHBondContact O-CB 3.37Å; K79-S83 PolarHBondContact O-N 3.06Å
80R96.6Very high95Very high157 Ų157106.1 Ų106.159%0.59250%0.503SS*.Hα-helixtrans-63.6-49.5175.7-69.7-179.2-159.7-166.75111.2Q76 R77 A82 S83 E84Q76-R80 WeakPolarHBondContact O-CG 3.49Å; Q76-R80 PolarHBondContact O-N 2.93Å; R77-R80 PolarHBondContact O-N 3.15Å; R80-A82 VanDerWaalsContact C-N 3.26Å; R80-A82 PolarHBondContact O-N 2.83Å; R80-S83 CarbonylContact O-C 3.3Å; R80-S83 WeakPolarHBondContact O-CA 3.24Å; R80-S83 VanDerWaalsContact O-CB 3.3Å; R80-S83 WeakPolarHBondContact O-CB 3.35Å; R80-S83 PolarHBondContact O-N 3.12Å; R80-E84 WeakPolarHBondContact O-CB 3.48Å; R80-E84 WeakPolarHBondContact O-CG 3.43Å; R80-E84 PolarHBondContact O-N 2.98Å
81A97Very high95.3Very high42 Ų42106.4 Ų106.435%0.34749%0.494SS..Hα-helixtrans-61.3-33177.500000113.2R77 M78 R85R77-A81 WeakPolarHBondContact O-CB 3.18Å; R77-A81 PolarHBondContact O-N 3.22Å; M78-A81 PolarHBondContact O-N 3.41Å; A81-R85 WeakPolarHBondContact O-CG 3.39Å; A81-R85 PolarHBondContact O-N 3.43Å; A81-R85 VanDerWaalsContact O-N 3.15Å; A81-R85 PolarHBondContact O-NE 3.02Å
82A97.2Very high95.7Very high33 Ų33107.1 Ų107.127%0.27350%0.498SS..Hα-helixtrans-72.8-36.3173.800000112.5M78 K79 R80 R86M78-A82 WeakPolarHBondContact O-CB 3.3Å; M78-A82 PolarHBondContact O-N 2.86Å; K79-A82 PolarHBondContact O-N 3.46Å; R80-A82 VanDerWaalsContact C-N 3.26Å; R80-A82 PolarHBondContact O-N 2.83Å; A82-R86 WeakPolarHBondContact O-CG 3.48Å; A82-R86 PolarHBondContact O-N 2.99Å
83S97.4Very high95.8Very high74 Ų74108.8 Ų108.852%0.51750%0.502SS..Hα-helixtrans-65.9-45.5173.5172.70000111.5K79 R80 R86 R87K79-S83 WeakPolarHBondContact O-CB 3.37Å; K79-S83 PolarHBondContact O-N 3.06Å; R80-S83 CarbonylContact O-C 3.3Å; R80-S83 WeakPolarHBondContact O-CA 3.24Å; R80-S83 VanDerWaalsContact O-CB 3.3Å; R80-S83 WeakPolarHBondContact O-CB 3.35Å; R80-S83 PolarHBondContact O-N 3.12Å; S83-R86 PolarHBondContact O-N 3.31Å; S83-R87 PolarHBondContact O-N 3.19Å
84E96.9Very high95.8Very high106 Ų106111.9 Ų111.950%0.49551%0.511SS..Hα-helixtrans-60.1-51.3178.4-74.6161.9-176.900110.5R80 R86 R87 E88R80-E84 WeakPolarHBondContact O-CB 3.48Å; R80-E84 WeakPolarHBondContact O-CG 3.43Å; R80-E84 PolarHBondContact O-N 2.98Å; E84-R86 VanDerWaalsContact C-N 3.27Å; E84-R86 PolarHBondContact O-N 3.16Å; E84-R87 CarbonylContact O-C 3.5Å; E84-R87 WeakPolarHBondContact O-CA 3.25Å; E84-R87 WeakPolarHBondContact O-CB 3.3Å; E84-R87 PolarHBondContact O-N 3.39Å; E84-E88 WeakPolarHBondContact O-CG 3.35Å; E84-E88 PolarHBondContact O-N 3.41Å
85R96.8Very high96Very high162 Ų162113 Ų11361%0.61151%0.509SS*.Hα-helixtrans-57-36.9176.6-75.7-174.9-67.5139.6-7.3114.2A81 R87 Y89A81-R85 WeakPolarHBondContact O-CG 3.39Å; A81-R85 PolarHBondContact O-N 3.43Å; A81-R85 VanDerWaalsContact O-N 3.15Å; A81-R85 PolarHBondContact O-NE 3.02Å; R85-R87 VanDerWaalsContact C-N 3.35Å; R85-Y89 WeakPolarHBondContact O-CB 3.42Å; R85-Y89 PolarHBondContact O-N 2.99Å; R85-Y89 VanDerWaalsContact O-N 3.09Å
86R95.2Very high96Very high190 Ų190114.3 Ų114.372%0.71752%0.515SS*.Hα-helixtrans-69.4-36.6175.8-77178.4177.3-175.3-1.7111.9A82 S83 E84 N90A82-R86 WeakPolarHBondContact O-CG 3.48Å; A82-R86 PolarHBondContact O-N 2.99Å; S83-R86 PolarHBondContact O-N 3.31Å; E84-R86 VanDerWaalsContact C-N 3.27Å; E84-R86 PolarHBondContact O-N 3.16Å; R86-N90 PolarHBondContact O-N 3.45Å; R86-N90 PolarHBondContact O-ND2 2.91Å
87R97.4Very high95.9Very high155 Ų155117 Ų11759%0.58552%0.521SS*.Hα-helixtrans-68.8-49.5177.2-179.7-178.3170.6-161.1-11.5110.6S83 E84 R85 Y89 N90 E91S83-R87 PolarHBondContact O-N 3.19Å; E84-R87 CarbonylContact O-C 3.5Å; E84-R87 WeakPolarHBondContact O-CA 3.25Å; E84-R87 WeakPolarHBondContact O-CB 3.3Å; E84-R87 PolarHBondContact O-N 3.39Å; R85-R87 VanDerWaalsContact C-N 3.35Å; R87-Y89 VanDerWaalsContact C-N 3.34Å; R87-Y89 PolarHBondContact O-N 2.69Å; R87-N90 PolarHBondContact O-N 3.5Å; R87-N90 VanDerWaalsContact O-N 3.09Å; R87-E91 HydrophobicContact CG-CG 4.35Å; R87-E91 IonicContact CZ-OE1 3.2Å; R87-E91 IonicContact NE-OE1 2.72Å; R87-E91 PolarHBondContact NE-OE1 3.23Å; R87-E91 IonicContact NE-OE2 3.82Å; R87-E91 IonicContact NH2-OE1 2.81Å; R87-E91 PolarHBondContact NH2-OE1 3.44Å; R87-E91 WeakPolarHBondContact O-CG 3.43Å; R87-E91 PolarHBondContact O-N 2.97Å
88E96Very high95.7Very high99 Ų99114.3 Ų114.346%0.46352%0.516SS..Hα-helixtrans-54.3-50.1176.5-71.9167.4178.800110.7E84 N90 E91 E92E84-E88 WeakPolarHBondContact O-CG 3.35Å; E84-E88 PolarHBondContact O-N 3.41Å; E88-N90 VanDerWaalsContact C-N 3.3Å; E88-N90 PolarHBondContact O-N 2.95Å; E88-E91 PolarHBondContact O-N 3.37Å; E88-E91 VanDerWaalsContact O-N 3.13Å; E88-E92 WeakPolarHBondContact O-CB 3.34Å; E88-E92 WeakPolarHBondContact O-CG 3.25Å; E88-E92 PolarHBondContact O-N 2.9Å
89Y96.5Very high95.6Very high135 Ų135111.5 Ų111.553%0.52950%0.504SS..Hα-helixtrans-56.4-42.8176176.6-96.8000113R85 R87 Q93R85-Y89 WeakPolarHBondContact O-CB 3.42Å; R85-Y89 PolarHBondContact O-N 2.99Å; R85-Y89 VanDerWaalsContact O-N 3.09Å; R87-Y89 VanDerWaalsContact C-N 3.34Å; R87-Y89 PolarHBondContact O-N 2.69Å; Y89-Q93 HydrophobicContact CD1-CG 4.44Å; Y89-Q93 HydrophobicContact CE1-CG 4.02Å; Y89-Q93 HydrophobicContact CE2-CG 4.28Å; Y89-Q93 VanDerWaalsContact O-CG 3.24Å; Y89-Q93 WeakPolarHBondContact O-CG 3.29Å; Y89-Q93 PolarHBondContact O-N 3.44Å
90N96.1Very high95.3Very high104 Ų104112.6 Ų112.656%0.55651%0.505SS*.Hα-helixtrans-71.7-34179.1-69.8-17.8000112.5R86 R87 E88 R94R86-N90 PolarHBondContact O-N 3.45Å; R86-N90 PolarHBondContact O-ND2 2.91Å; R87-N90 PolarHBondContact O-N 3.5Å; R87-N90 VanDerWaalsContact O-N 3.09Å; E88-N90 VanDerWaalsContact C-N 3.3Å; E88-N90 PolarHBondContact O-N 2.95Å; N90-R94 PolarHBondContact O-N 2.84Å
91E96.4Very high95.1Very high66 Ų66109.1 Ų109.131%0.30850%0.498SS..Hα-helixtrans-67.6-47.7175-74.8175.1170.700109.9R87 E88 Q93 R94 D95R87-E91 HydrophobicContact CG-CG 4.35Å; R87-E91 IonicContact CZ-OE1 3.2Å; R87-E91 IonicContact NE-OE1 2.72Å; R87-E91 PolarHBondContact NE-OE1 3.23Å; R87-E91 IonicContact NE-OE2 3.82Å; R87-E91 IonicContact NH2-OE1 2.81Å; R87-E91 PolarHBondContact NH2-OE1 3.44Å; R87-E91 WeakPolarHBondContact O-CG 3.43Å; R87-E91 PolarHBondContact O-N 2.97Å; E88-E91 PolarHBondContact O-N 3.37Å; E88-E91 VanDerWaalsContact O-N 3.13Å; E91-Q93 VanDerWaalsContact C-N 3.34Å; E91-Q93 PolarHBondContact O-N 3.34Å; E91-R94 PolarHBondContact O-N 2.95Å; E91-R94 VanDerWaalsContact O-N 3.08Å; E91-D95 WeakPolarHBondContact O-CB 3.16Å; E91-D95 VanDerWaalsContact O-CG 3.22Å; E91-D95 PolarHBondContact O-N 3.05Å
92E95.6Very high94.8Very high113 Ų113111.9 Ų111.953%0.52850%0.504SS..Hα-helixtrans-55.3-46.8174.2-74.4174.717700111.8E88 R94 D95 E96E88-E92 WeakPolarHBondContact O-CB 3.34Å; E88-E92 WeakPolarHBondContact O-CG 3.25Å; E88-E92 PolarHBondContact O-N 2.9Å; E92-R94 VanDerWaalsContact C-N 3.29Å; E92-R94 PolarHBondContact O-N 2.77Å; E92-D95 PolarHBondContact O-N 3.23Å; E92-E96 WeakPolarHBondContact O-CB 3.35Å; E92-E96 VanDerWaalsContact O-CG 3.3Å; E92-E96 WeakPolarHBondContact O-CG 3.42Å; E92-E96 PolarHBondContact O-N 3.5Å
93Q93.6Very high94.4Very high86 Ų86115.9 Ų115.940%0.40252%0.516SS..Hα-helixtrans-63.2-34.1178-72.3-62.2-76.800113.3Y89 E91 E96 Y97Y89-Q93 HydrophobicContact CD1-CG 4.44Å; Y89-Q93 HydrophobicContact CE1-CG 4.02Å; Y89-Q93 HydrophobicContact CE2-CG 4.28Å; Y89-Q93 VanDerWaalsContact O-CG 3.24Å; Y89-Q93 WeakPolarHBondContact O-CG 3.29Å; Y89-Q93 PolarHBondContact O-N 3.44Å; E91-Q93 VanDerWaalsContact C-N 3.34Å; E91-Q93 PolarHBondContact O-N 3.34Å; Q93-E96 PolarHBondContact NE2-OE2 2.91Å; Q93-Y97 PolarHBondContact O-N 3.4Å
94R94.3Very high94.1Very high140 Ų140118.1 Ų118.153%0.52852%0.523SS..Hα-helixtrans-73.8-44.4176.1-167.2-172.171.1-158.8-5.4110.8N90 E91 E92 Y97 E98N90-R94 PolarHBondContact O-N 2.84Å; E91-R94 PolarHBondContact O-N 2.95Å; E91-R94 VanDerWaalsContact O-N 3.08Å; E92-R94 VanDerWaalsContact C-N 3.29Å; E92-R94 PolarHBondContact O-N 2.77Å; R94-Y97 WeakPolarHBondContact O-CB 3.32Å; R94-Y97 PolarHBondContact O-N 3.36Å; R94-E98 IonicContact NE-OE1 3.41Å; R94-E98 PolarHBondContact NE-OE1 3.28Å; R94-E98 WeakPolarHBondContact O-CG 3.3Å; R94-E98 PolarHBondContact O-N 2.95Å
95D96Very high93.8Very high82 Ų82120.4 Ų120.444%0.43953%0.527SS..Hα-helixtrans-66.9-38.9-177.7-67.6-4.7000111E91 E92 Y97 E98 N99E91-D95 WeakPolarHBondContact O-CB 3.16Å; E91-D95 VanDerWaalsContact O-CG 3.22Å; E91-D95 PolarHBondContact O-N 3.05Å; E92-D95 PolarHBondContact O-N 3.23Å; D95-Y97 VanDerWaalsContact C-N 3.33Å; D95-Y97 PolarHBondContact O-N 2.85Å; D95-E98 PolarHBondContact O-N 3.44Å; D95-N99 WeakPolarHBondContact O-CB 3.43Å; D95-N99 PolarHBondContact O-N 3.23Å
96E93.7Very high93.7Very high105 Ų105117.1 Ų117.149%0.49152%0.521SS..Hα-helixtrans-58-44.7170.9-77.8176.8179.300111.5E92 Q93 N99 Y100E92-E96 WeakPolarHBondContact O-CB 3.35Å; E92-E96 VanDerWaalsContact O-CG 3.3Å; E92-E96 WeakPolarHBondContact O-CG 3.42Å; E92-E96 PolarHBondContact O-N 3.5Å; Q93-E96 PolarHBondContact NE2-OE2 2.91Å; E96-N99 PolarHBondContact O-N 3.14Å; E96-Y100 WeakPolarHBondContact O-CD2 3.45Å; E96-Y100 PolarHBondContact O-N 2.99Å
97Y92.3Very high93.5Very high152 Ų152110.1 Ų110.160%0.59650%0.504SS*.Hα-helixtrans-66.4-44.6178.9178.7-102.1000112.5Q93 R94 D95 N99 Y100 L101Q93-Y97 PolarHBondContact O-N 3.4Å; R94-Y97 WeakPolarHBondContact O-CB 3.32Å; R94-Y97 PolarHBondContact O-N 3.36Å; D95-Y97 VanDerWaalsContact C-N 3.33Å; D95-Y97 PolarHBondContact O-N 2.85Å; Y97-N99 VanDerWaalsContact C-N 3.32Å; Y97-Y100 PolarHBondContact O-N 3.32Å; Y97-L101 HydrophobicContact CD1-CD1 4.02Å; Y97-L101 HydrophobicContact CE1-CD1 3.39Å; Y97-L101 HydrophobicContact CE1-CG 4.25Å; Y97-L101 HydrophobicContact CE2-CD1 4.42Å; Y97-L101 WeakPolarHBondContact O-CG 3.23Å; Y97-L101 PolarHBondContact O-N 2.93Å; Y97-L101 VanDerWaalsContact O-N 3.16Å
98E92.6Very high93.1Very high104 Ų104107.8 Ų107.849%0.48650%0.5SS..Hα-helixtrans-62.9-40.7176.1-73.1179.4-166.700111.3R94 D95 L101 E102R94-E98 IonicContact NE-OE1 3.41Å; R94-E98 PolarHBondContact NE-OE1 3.28Å; R94-E98 WeakPolarHBondContact O-CG 3.3Å; R94-E98 PolarHBondContact O-N 2.95Å; D95-E98 PolarHBondContact O-N 3.44Å; E98-L101 PolarHBondContact O-N 2.82Å; E98-E102 PolarHBondContact O-N 2.93Å
99N94.4Very high93Very high87 Ų87106.2 Ų106.247%0.46550%0.497SS..Hα-helixtrans-62.3-47.4176.6-170.7-44.6000111.6D95 E96 Y97 L101 E102 E103D95-N99 WeakPolarHBondContact O-CB 3.43Å; D95-N99 PolarHBondContact O-N 3.23Å; E96-N99 PolarHBondContact O-N 3.14Å; Y97-N99 VanDerWaalsContact C-N 3.32Å; N99-L101 VanDerWaalsContact C-N 3.29Å; N99-L101 PolarHBondContact O-N 3.44Å; N99-E102 PolarHBondContact O-N 3.37Å; N99-E102 VanDerWaalsContact O-N 3.12Å; N99-E103 PolarHBondContact O-N 2.98Å; N99-E103 WeakPolarHBondContact OD1-CG 3.41Å; N99-E103 PolarHBondContact OD1-OE1 3.09Å
100Y90.3Very high92.8Very high172 Ų172103.5 Ų103.568%0.67549%0.491SS*.Hα-helixtrans-56.3-42.4175.5-102.4-81.2000113E96 Y97 D104E96-Y100 WeakPolarHBondContact O-CD2 3.45Å; E96-Y100 PolarHBondContact O-N 2.99Å; Y97-Y100 PolarHBondContact O-N 3.32Å; Y100-D104 WeakPolarHBondContact O-CB 3.38Å; Y100-D104 PolarHBondContact O-N 3.22Å
101L91.2Very high92.5Very high84 Ų84104.2 Ų104.244%0.4449%0.491SS..Hα-helixtrans-68.9-35.7178.3-71.8178.8000112.7Y97 E98 N99 R105Y97-L101 HydrophobicContact CD1-CD1 4.02Å; Y97-L101 HydrophobicContact CE1-CD1 3.39Å; Y97-L101 HydrophobicContact CE1-CG 4.25Å; Y97-L101 HydrophobicContact CE2-CD1 4.42Å; Y97-L101 WeakPolarHBondContact O-CG 3.23Å; Y97-L101 PolarHBondContact O-N 2.93Å; Y97-L101 VanDerWaalsContact O-N 3.16Å; E98-L101 PolarHBondContact O-N 2.82Å; N99-L101 VanDerWaalsContact C-N 3.29Å; N99-L101 PolarHBondContact O-N 3.44Å; L101-R105 WeakPolarHBondContact O-CB 3.26Å; L101-R105 PolarHBondContact O-N 3.17Å; L101-R105 VanDerWaalsContact O-N 3.14Å
102E90.7Very high92.4Very high101 Ų101107.3 Ų107.347%0.47250%0.5SS..Hα-helixtrans-71.1-44.3177-163.272.2177.400110.7E98 N99 D104 R105 D106E98-E102 PolarHBondContact O-N 2.93Å; N99-E102 PolarHBondContact O-N 3.37Å; N99-E102 VanDerWaalsContact O-N 3.12Å; E102-D104 PolarHBondContact O-N 3.48Å; E102-R105 PolarHBondContact O-N 3.14Å; E102-D106 WeakPolarHBondContact O-CB 3.45Å; E102-D106 PolarHBondContact O-N 3.02Å
103E89.6Confident92.2Very high116 Ų116104.3 Ų104.354%0.54249%0.492SS..Hα-helixtrans-58.7-44.6175-77.5-173.6171.600111.9N99 D106 A107N99-E103 PolarHBondContact O-N 2.98Å; N99-E103 WeakPolarHBondContact OD1-CG 3.41Å; N99-E103 PolarHBondContact OD1-OE1 3.09Å; E103-D106 PolarHBondContact O-N 3.4Å; E103-A107 WeakPolarHBondContact O-CB 3.37Å; E103-A107 PolarHBondContact O-N 2.96Å
104D90.1Very high92.2Very high122 Ų122107.2 Ų107.265%0.65250%0.499SS*.Hα-helixtrans-64.1-42.7178.6-164.248.5000111.3Y100 E102 E108Y100-D104 WeakPolarHBondContact O-CB 3.38Å; Y100-D104 PolarHBondContact O-N 3.22Å; E102-D104 PolarHBondContact O-N 3.48Å; D104-E108 WeakPolarHBondContact O-CB 3.26Å; D104-E108 PolarHBondContact O-N 2.73Å
105R92.1Very high92.1Very high154 Ų154105.7 Ų105.758%0.58150%0.498SS*.Hα-helixtrans-65-46.8176.4-176.5-173.4-61.4-154.42112.1L101 E102 A107 E108 V109L101-R105 WeakPolarHBondContact O-CB 3.26Å; L101-R105 PolarHBondContact O-N 3.17Å; L101-R105 VanDerWaalsContact O-N 3.14Å; E102-R105 PolarHBondContact O-N 3.14Å; R105-A107 VanDerWaalsContact C-N 3.33Å; R105-E108 PolarHBondContact O-N 2.94Å; R105-V109 WeakPolarHBondContact O-CB 3.42Å; R105-V109 VanDerWaalsContact O-CG2 3.26Å; R105-V109 WeakPolarHBondContact O-CG2 3.31Å; R105-V109 PolarHBondContact O-N 3.02Å
106D92.8Very high91.9Very high92 Ų92105 Ų10549%0.49250%0.497SS..Hα-helixtrans-66.4-38.2-179.9-82.5-10.5000111.2E102 E103 N110E102-D106 WeakPolarHBondContact O-CB 3.45Å; E102-D106 PolarHBondContact O-N 3.02Å; E103-D106 PolarHBondContact O-N 3.4Å; D106-N110 WeakPolarHBondContact O-CB 3.3Å; D106-N110 PolarHBondContact O-N 3.09Å
107A90.9Very high91.7Very high43 Ų43105 Ų10536%0.35550%0.5SS..Hα-helixtrans-60.8-50.6172.500000111E103 R105 V109 N110 E111E103-A107 WeakPolarHBondContact O-CB 3.37Å; E103-A107 PolarHBondContact O-N 2.96Å; R105-A107 VanDerWaalsContact C-N 3.33Å; A107-V109 PolarHBondContact O-N 2.82Å; A107-N110 PolarHBondContact O-N 2.86Å; A107-E111 WeakPolarHBondContact O-CB 3.37Å; A107-E111 WeakPolarHBondContact O-CG 3.22Å; A107-E111 PolarHBondContact O-N 3.46Å
108E90.9Very high91.6Very high107 Ų107103.9 Ų103.950%0.550%0.501SS..Hα-helixtrans-59-45.7178.7-166.6-154167.300111.7D104 R105 N110 E111 R112D104-E108 WeakPolarHBondContact O-CB 3.26Å; D104-E108 PolarHBondContact O-N 2.73Å; R105-E108 PolarHBondContact O-N 2.94Å; E108-N110 PolarHBondContact O-N 3.32Å; E108-E111 PolarHBondContact O-N 2.95Å; E108-R112 VanDerWaalsContact CD-NH2 3.29Å; E108-R112 WeakPolarHBondContact O-CB 3.35Å; E108-R112 PolarHBondContact O-N 3.5Å; E108-R112 IonicContact OE1-CZ 3.79Å; E108-R112 IonicContact OE1-NH2 2.65Å; E108-R112 PolarHBondContact OE1-NH2 3.17Å; E108-R112 IonicContact OE2-NH2 3.7Å
109V92.1Very high91.4Very high65 Ų65104.7 Ų104.739%0.39450%0.504SS..Hα-helixtrans-65.3-40.5179.5170.60000111.1R105 A107 S113R105-V109 WeakPolarHBondContact O-CB 3.42Å; R105-V109 VanDerWaalsContact O-CG2 3.26Å; R105-V109 WeakPolarHBondContact O-CG2 3.31Å; R105-V109 PolarHBondContact O-N 3.02Å; A107-V109 PolarHBondContact O-N 2.82Å; V109-S113 VanDerWaalsContact O-CB 3.26Å; V109-S113 WeakPolarHBondContact O-CB 3.33Å; V109-S113 PolarHBondContact O-N 3.42Å; V109-S113 PolarHBondContact O-OG 3.29Å
110N92.5Very high91.2Very high78 Ų78105.2 Ų105.242%0.41751%0.507SS..Hα-helixtrans-66.7-45177.6-169.3-6.7000111.1D106 A107 E108 S113 R114D106-N110 WeakPolarHBondContact O-CB 3.3Å; D106-N110 PolarHBondContact O-N 3.09Å; A107-N110 PolarHBondContact O-N 2.86Å; E108-N110 PolarHBondContact O-N 3.32Å; N110-S113 PolarHBondContact O-N 3.17Å; N110-R114 VanDerWaalsContact O-CG 3.29Å; N110-R114 WeakPolarHBondContact O-CG 3.26Å; N110-R114 PolarHBondContact O-N 2.87Å; N110-R114 PolarHBondContact OD1-NE 3.06Å
111E91.2Very high91Very high119 Ų119104.5 Ų104.556%0.55650%0.503SS*.Hα-helixtrans-59.9-49.9175.8-73.9-177.8177.700111.4A107 E108 S113 R114 E115A107-E111 WeakPolarHBondContact O-CB 3.37Å; A107-E111 WeakPolarHBondContact O-CG 3.22Å; A107-E111 PolarHBondContact O-N 3.46Å; E108-E111 PolarHBondContact O-N 2.95Å; E111-S113 VanDerWaalsContact C-N 3.26Å; E111-S113 PolarHBondContact O-N 2.89Å; E111-R114 WeakPolarHBondContact O-CB 3.38Å; E111-R114 PolarHBondContact O-N 3.5Å; E111-E115 WeakPolarHBondContact O-CG 3.49Å; E111-E115 PolarHBondContact O-N 2.92Å
112R92.7Very high90.6Very high131 Ų131107.8 Ų107.849%0.49452%0.516SS..Hα-helixtrans-58.3-39.7175.7-168.1-169.7-58155.20.9112.2E108 T116E108-R112 VanDerWaalsContact CD-NH2 3.29Å; E108-R112 WeakPolarHBondContact O-CB 3.35Å; E108-R112 PolarHBondContact O-N 3.5Å; E108-R112 IonicContact OE1-CZ 3.79Å; E108-R112 IonicContact OE1-NH2 2.65Å; E108-R112 PolarHBondContact OE1-NH2 3.17Å; E108-R112 IonicContact OE2-NH2 3.7Å; R112-T116 WeakPolarHBondContact O-CB 3.43Å; R112-T116 WeakPolarHBondContact O-CG2 3.44Å; R112-T116 PolarHBondContact O-N 3.27Å; R112-T116 PolarHBondContact O-OG1 2.65Å
113S93Very high90.3Very high51 Ų51112 Ų11236%0.35753%0.529SS..Hα-helixtrans-68.9-35.5177.5-61.30000111.9V109 N110 E111 T116 N117V109-S113 VanDerWaalsContact O-CB 3.26Å; V109-S113 WeakPolarHBondContact O-CB 3.33Å; V109-S113 PolarHBondContact O-N 3.42Å; V109-S113 PolarHBondContact O-OG 3.29Å; N110-S113 PolarHBondContact O-N 3.17Å; E111-S113 VanDerWaalsContact C-N 3.26Å; E111-S113 PolarHBondContact O-N 2.89Å; S113-T116 WeakPolarHBondContact CA-OG1 3.36Å; S113-T116 PolarHBondContact O-OG1 3.49Å; S113-N117 WeakPolarHBondContact O-CB 3.36Å; S113-N117 PolarHBondContact O-N 2.91Å; S113-N117 VanDerWaalsContact O-N 3.14Å; S113-N117 PolarHBondContact O-ND2 3.03Å
114R92.9Very high89.8Confident147 Ų147112.8 Ų112.856%0.55553%0.532SS*.Hα-helixtrans-66.6-50.6174.8-74.2172.1-177.5-170.4-4111N110 E111 T116 N117 E118N110-R114 VanDerWaalsContact O-CG 3.29Å; N110-R114 WeakPolarHBondContact O-CG 3.26Å; N110-R114 PolarHBondContact O-N 2.87Å; N110-R114 PolarHBondContact OD1-NE 3.06Å; E111-R114 WeakPolarHBondContact O-CB 3.38Å; E111-R114 PolarHBondContact O-N 3.5Å; R114-T116 VanDerWaalsContact C-N 3.33Å; R114-T116 PolarHBondContact O-N 3.37Å; R114-N117 PolarHBondContact O-N 3.26Å; R114-N117 VanDerWaalsContact O-N 3.17Å; R114-E118 WeakPolarHBondContact O-CG 3.36Å; R114-E118 PolarHBondContact O-N 3.38Å
115E91.9Very high89.2Confident107 Ų107112.8 Ų112.850%0.552%0.524SS..Hα-helixtrans-57.5-45.3178.9-70.4178.8174.500112E111 N117 E118 Q119E111-E115 WeakPolarHBondContact O-CG 3.49Å; E111-E115 PolarHBondContact O-N 2.92Å; E115-N117 PolarHBondContact O-N 3.26Å; E115-E118 PolarHBondContact O-N 3.02Å; E115-Q119 WeakPolarHBondContact O-CB 3.44Å; E115-Q119 VanDerWaalsContact O-CG 3.3Å; E115-Q119 WeakPolarHBondContact O-CG 3.32Å; E115-Q119 PolarHBondContact O-N 3.09Å
116T92.3Very high88.6Confident67 Ų67109.8 Ų109.841%0.41152%0.519SS..Hα-helixtrans-64.5-39.7178.346.60000112.3R112 S113 R114 L120R112-T116 WeakPolarHBondContact O-CB 3.43Å; R112-T116 WeakPolarHBondContact O-CG2 3.44Å; R112-T116 PolarHBondContact O-N 3.27Å; R112-T116 PolarHBondContact O-OG1 2.65Å; S113-T116 WeakPolarHBondContact CA-OG1 3.36Å; S113-T116 PolarHBondContact O-OG1 3.49Å; R114-T116 VanDerWaalsContact C-N 3.33Å; R114-T116 PolarHBondContact O-N 3.37Å; T116-L120 WeakPolarHBondContact O-CG 3.48Å; T116-L120 PolarHBondContact O-N 2.92Å
117N89.9Confident87.6Confident105 Ų105107.9 Ų107.956%0.56152%0.521SS*.Hα-helixtrans-66.2-39.3174.3-81-55.9000112.4S113 R114 E115 L120 R121S113-N117 WeakPolarHBondContact O-CB 3.36Å; S113-N117 PolarHBondContact O-N 2.91Å; S113-N117 VanDerWaalsContact O-N 3.14Å; S113-N117 PolarHBondContact O-ND2 3.03Å; R114-N117 PolarHBondContact O-N 3.26Å; R114-N117 VanDerWaalsContact O-N 3.17Å; E115-N117 PolarHBondContact O-N 3.26Å; N117-L120 PolarHBondContact O-N 3.42Å; N117-R121 VanDerWaalsContact O-CB 3.31Å; N117-R121 WeakPolarHBondContact O-CB 3.45Å; N117-R121 PolarHBondContact O-N 3.02Å
118E88.5Confident86.7Confident130 Ų130111.2 Ų111.261%0.60753%0.533SS*.Hα-helixtrans-65.6-43.7176-74177.6-178.200111.7R114 E115 L120 R121 E122R114-E118 WeakPolarHBondContact O-CG 3.36Å; R114-E118 PolarHBondContact O-N 3.38Å; E115-E118 PolarHBondContact O-N 3.02Å; E118-L120 PolarHBondContact O-N 3Å; E118-R121 WeakPolarHBondContact O-CB 3.28Å; E118-R121 PolarHBondContact O-N 3.03Å; E118-E122 PolarHBondContact O-N 2.95Å
119Q90.2Very high85.5Confident121 Ų121113.2 Ų113.257%0.56554%0.537SS*.Hα-helixtrans-61.5-44175.2-73.2176.937.500112.2E115 R121 E122 Y123E115-Q119 WeakPolarHBondContact O-CB 3.44Å; E115-Q119 VanDerWaalsContact O-CG 3.3Å; E115-Q119 WeakPolarHBondContact O-CG 3.32Å; E115-Q119 PolarHBondContact O-N 3.09Å; Q119-R121 VanDerWaalsContact C-N 3.3Å; Q119-R121 PolarHBondContact O-N 3.32Å; Q119-E122 PolarHBondContact O-N 3.5Å; Q119-Y123 WeakPolarHBondContact O-CB 3.2Å; Q119-Y123 PolarHBondContact O-N 3.34Å
120L89.1Confident84.2Confident98 Ų98113.7 Ų113.751%0.51354%0.541SS..Hα-helixtrans-61.1-42.1174.3-78170.4000111.2T116 N117 E118 E122 Y123 H124T116-L120 WeakPolarHBondContact O-CG 3.48Å; T116-L120 PolarHBondContact O-N 2.92Å; N117-L120 PolarHBondContact O-N 3.42Å; E118-L120 PolarHBondContact O-N 3Å; L120-E122 VanDerWaalsContact C-N 3.34Å; L120-E122 PolarHBondContact O-N 3.14Å; L120-Y123 PolarHBondContact O-N 3.46Å; L120-H124 WeakPolarHBondContact O-CB 3.49Å; L120-H124 PolarHBondContact O-CD2 2.9Å; L120-H124 PolarHBondContact O-N 3.49Å
121R85.6Confident82.8Confident157 Ų157117.2 Ų117.259%0.59255%0.548SS*.Hα-helixtrans-63.7-39.9178.1-171.4178.6-178.1-82.6-2.5111.8N117 E118 Q119 Y125N117-R121 VanDerWaalsContact O-CB 3.31Å; N117-R121 WeakPolarHBondContact O-CB 3.45Å; N117-R121 PolarHBondContact O-N 3.02Å; E118-R121 WeakPolarHBondContact O-CB 3.28Å; E118-R121 PolarHBondContact O-N 3.03Å; Q119-R121 VanDerWaalsContact C-N 3.3Å; Q119-R121 PolarHBondContact O-N 3.32Å; R121-Y125 WeakPolarHBondContact O-CB 3.13Å; R121-Y125 PolarHBondContact O-N 2.86Å; R121-Y125 VanDerWaalsContact O-N 3.09Å
122E84.5Confident81.5Confident153 Ų153118.8 Ų118.872%0.71555%0.554SS**Hα-helixtrans-69.5-45.4176.5-172.1175.1-165.500111.8E118 Q119 L120 H124 Y125E118-E122 PolarHBondContact O-N 2.95Å; Q119-E122 PolarHBondContact O-N 3.5Å; L120-E122 VanDerWaalsContact C-N 3.34Å; L120-E122 PolarHBondContact O-N 3.14Å; E122-H124 VanDerWaalsContact C-N 3.26Å; E122-H124 PolarHBondContact O-N 3.3Å; E122-Y125 VanDerWaalsContact O-CB 3.22Å; E122-Y125 WeakPolarHBondContact O-CB 3.48Å; E122-Y125 PolarHBondContact O-N 3.43Å
123Y83.5Confident80.1Confident189 Ų189120.4 Ų120.474%0.74156%0.561SS**Hα-helixtrans-59.7-37.8177.4-178.5-99.8000112.5Q119 L120Q119-Y123 WeakPolarHBondContact O-CB 3.2Å; Q119-Y123 PolarHBondContact O-N 3.34Å; L120-Y123 PolarHBondContact O-N 3.46Å
124H79.8Confident78.5Confident132 Ų132127.9 Ų127.961%0.61158%0.582SS**THydrogen-bonded Turntrans-92.48.7177.1-65.9-62.5000113.8L120 E122 D126L120-H124 WeakPolarHBondContact O-CB 3.49Å; L120-H124 PolarHBondContact O-CD2 2.9Å; L120-H124 PolarHBondContact O-N 3.49Å; E122-H124 VanDerWaalsContact C-N 3.26Å; E122-H124 PolarHBondContact O-N 3.3Å; H124-D126 PolarHBondContact O-N 3.02Å; H124-D126 VanDerWaalsContact O-N 3.09Å
125Y76.7Confident76.8Confident123 Ų123129.7 Ų129.748%0.48259%0.594SS.*  trans-74.7102.7180-164.8-108.9000110.4R121 E122 G127 Y129R121-Y125 WeakPolarHBondContact O-CB 3.13Å; R121-Y125 PolarHBondContact O-N 2.86Å; R121-Y125 VanDerWaalsContact O-N 3.09Å; E122-Y125 VanDerWaalsContact O-CB 3.22Å; E122-Y125 WeakPolarHBondContact O-CB 3.48Å; E122-Y125 PolarHBondContact O-N 3.43Å; Y125-G127 PolarHBondContact O-N 3.41Å; Y125-Y129 PolarHBondContact OH-O 3.04Å
126D78.7Confident75Confident91 Ų91136.1 Ų136.149%0.48762%0.623SS.*  trans-82.93.7178.162.6-1.3000113.5H124 L128H124-D126 PolarHBondContact O-N 3.02Å; H124-D126 VanDerWaalsContact O-N 3.09Å; D126-L128 PolarHBondContact O-N 3.02Å; D126-L128 VanDerWaalsContact O-N 3.17Å; D126-L128 PolarHBondContact OD1-N 2.97Å; D126-L128 VanDerWaalsContact OD1-N 3.09Å
127G73.5Confident74.1Confident52 Ų52139.6 Ų139.654%0.53663%0.634SS.*SBendtrans70.21.7-177.300000114.7Y125Y125-G127 PolarHBondContact O-N 3.41Å
128L70.8Confident73.3Confident113 Ų113141.4 Ų141.459%0.59264%0.638SS**  trans-102.66-174.1-70.7160.6000112.9D126 P130 R131D126-L128 PolarHBondContact O-N 3.02Å; D126-L128 VanDerWaalsContact O-N 3.17Å; D126-L128 PolarHBondContact OD1-N 2.97Å; D126-L128 VanDerWaalsContact OD1-N 3.09Å; L128-P130 CarbonylContact O-C 3.49Å; L128-R131 VanDerWaalsContact O-CG 3.25Å; L128-R131 WeakPolarHBondContact O-CG 3.38Å; L128-R131 PolarHBondContact O-N 3.4Å
129Y66.5Low72.4Confident148 Ų148142 Ų14258%0.5864%0.639SS**  trans-106.3130.6-177.3-149-89.6000112Y125Y125-Y129 PolarHBondContact OH-O 3.04Å
130P63.5Low71.4Confident75 Ų75143.2 Ų143.249%0.48764%0.644SS.*SBendcis-85.4134.38.2-4.824.7000111.9L128 F132L128-P130 CarbonylContact O-C 3.49Å; P130-F132 VanDerWaalsContact C-N 3.26Å; P130-F132 HydrophobicContact CB-CD2 3.91Å; P130-F132 HydrophobicContact CB-CE2 3.53Å; P130-F132 HydrophobicContact CB-CZ 3.88Å; P130-F132 HydrophobicContact CG-CD2 4.26Å; P130-F132 HydrophobicContact CG-CE2 3.56Å; P130-F132 HydrophobicContact CG-CZ 4.06Å; P130-F132 PolarHBondContact O-N 3.44Å
131R63.2Low70.2Confident152 Ų152146.1 Ų146.157%0.57465%0.652SS**  trans-71.382.1169.4-79.9-166.7-90.4-139.3-11.4109.9L128 Y133L128-R131 VanDerWaalsContact O-CG 3.25Å; L128-R131 WeakPolarHBondContact O-CG 3.38Å; L128-R131 PolarHBondContact O-N 3.4Å; R131-Y133 HydrophobicContact CB-CD2 4.32Å; R131-Y133 HydrophobicContact CB-CE2 4.02Å; R131-Y133 HydrophobicContact CG-CE2 4.41Å; R131-Y133 PolarHBondContact O-N 3.22Å
132F64.9Low69.2Low153 Ų153145.3 Ų145.367%0.67166%0.656SS**  trans-79.894.3165.7-66.1-68.2000108.9P130 W134P130-F132 VanDerWaalsContact C-N 3.26Å; P130-F132 HydrophobicContact CB-CD2 3.91Å; P130-F132 HydrophobicContact CB-CE2 3.53Å; P130-F132 HydrophobicContact CB-CZ 3.88Å; P130-F132 HydrophobicContact CG-CD2 4.26Å; P130-F132 HydrophobicContact CG-CE2 3.56Å; P130-F132 HydrophobicContact CG-CZ 4.06Å; P130-F132 PolarHBondContact O-N 3.44Å; F132-W134 PolarHBondContact O-N 3.42Å; F132-W134 VanDerWaalsContact O-N 3.15Å
133Y63.5Low68.1Low165 Ų165144.8 Ų144.865%0.64765%0.652SS**  trans-76.393.6161.6-69.7-77.9000108R131 F135R131-Y133 HydrophobicContact CB-CD2 4.32Å; R131-Y133 HydrophobicContact CB-CE2 4.02Å; R131-Y133 HydrophobicContact CG-CE2 4.41Å; R131-Y133 PolarHBondContact O-N 3.22Å; Y133-F135 PolarHBondContact O-N 3.13Å
134W59.8Low66.9Low207 Ų207141.4 Ų141.478%0.78465%0.645SS**  trans-7499.3161.2-7591.8000107.1F132 H136F132-W134 PolarHBondContact O-N 3.42Å; F132-W134 VanDerWaalsContact O-N 3.15Å; W134-H136 PolarHBondContact O-N 3.24Å
135F56.9Low65.9Low185 Ų185142.2 Ų142.281%0.81165%0.648SS**  trans-66.8124167-71.2-86.7000108Y133Y133-F135 PolarHBondContact O-N 3.13Å
136H52.5Low64.9Low242 Ų242143.9 Ų143.9100%1.1266%0.663SS**  trans-115.40167.3-72.6-14.9000108.5W134W134-H136 PolarHBondContact O-N 3.24Å

Retrieved 136 of 136 residues in 348.2 ms (Link to these results)