A0A096N0V7_PAPAN Loading...

Insulin-like peptide INSL5

May have a role in gut contractility or in thymic development and regulation. Activates RXFP4 with high potency and appears to be the endogenous ligand for this receptor.

AlphaFold DB (A0A2K5Y8H0), UniProt , Accession A0A096N0V7, Species PAPAN (Papio anubis, Olive baboon), Gene INSL5, Length 135 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
1M62Low83.3Confident210 Ų210120.8 Ų120.8100%1.03462%0.618SS**  0-46.10-68.7-177147.100113.5G3 S4M1-G3 PolarHBondContact O-N 2.94Å; M1-S4 PolarHBondContact O-N 2.79Å
2K73.6Confident83.5Confident171 Ų171117.2 Ų117.274%0.74361%0.612SS**Hα-helixtrans-60-44-177.9-60.7162.9179.71750113.9S4 I5 F6K2-S4 VanDerWaalsContact C-N 3.35Å; K2-S4 PolarHBondContact O-N 2.8Å; K2-I5 PolarHBondContact O-N 3.35Å; K2-F6 WeakPolarHBondContact O-CD2 3.44Å; K2-F6 PolarHBondContact O-N 2.84Å
3G78.8Confident83.8Confident47 Ų47113 Ų11349%0.48559%0.594SS.*Hα-helixtrans-61.8-37.4179.400000114.2M1 I5 F6 T7M1-G3 PolarHBondContact O-N 2.94Å; G3-I5 VanDerWaalsContact C-N 3.3Å; G3-I5 PolarHBondContact O-N 3Å; G3-F6 PolarHBondContact O-N 3.22Å; G3-T7 WeakPolarHBondContact O-CG2 3.27Å; G3-T7 PolarHBondContact O-N 3.24Å; G3-T7 PolarHBondContact O-OG1 3.17Å
4S83.8Confident83.8Confident70 Ų70112.4 Ų112.449%0.4959%0.591SS.*Hα-helixtrans-65.7-33.9178.8179.20000112.4M1 K2 T7 L8M1-S4 PolarHBondContact O-N 2.79Å; K2-S4 VanDerWaalsContact C-N 3.35Å; K2-S4 PolarHBondContact O-N 2.8Å; S4-T7 VanDerWaalsContact C-OG1 3.32Å; S4-T7 VanDerWaalsContact CA-OG1 3.28Å; S4-T7 WeakPolarHBondContact CA-OG1 3.44Å; S4-T7 PolarHBondContact O-N 2.91Å; S4-T7 PolarHBondContact O-OG1 2.95Å; S4-L8 WeakPolarHBondContact O-CB 3.43Å; S4-L8 VanDerWaalsContact O-CG 3.25Å; S4-L8 WeakPolarHBondContact O-CG 3.41Å; S4-L8 PolarHBondContact O-N 3Å
5I88.4Confident83.3Confident114 Ų114113.7 Ų113.759%0.58559%0.59SS**Hα-helixtrans-69.2-43178.1-63.1157.2000110.1K2 G3 L8 F9K2-I5 PolarHBondContact O-N 3.35Å; G3-I5 VanDerWaalsContact C-N 3.3Å; G3-I5 PolarHBondContact O-N 3Å; I5-L8 PolarHBondContact O-N 3.13Å; I5-F9 WeakPolarHBondContact O-CB 3.45Å; I5-F9 PolarHBondContact O-N 2.83Å
6F87Confident83Confident142 Ų142110.1 Ų110.162%0.62358%0.582SS**Hα-helixtrans-63.9-41.6174.4-74.5-71.3000112.2K2 G3 L8 F9 L10K2-F6 WeakPolarHBondContact O-CD2 3.44Å; K2-F6 PolarHBondContact O-N 2.84Å; G3-F6 PolarHBondContact O-N 3.22Å; F6-L8 PolarHBondContact O-N 3.03Å; F6-F9 PolarHBondContact O-N 2.99Å; F6-L10 WeakPolarHBondContact O-CB 3.02Å; F6-L10 VanDerWaalsContact O-CG 3.24Å; F6-L10 WeakPolarHBondContact O-CG 3.34Å; F6-L10 PolarHBondContact O-N 3.14Å
7T90.1Very high82.4Confident80 Ų80109.9 Ų109.949%0.49158%0.58SS.*Hα-helixtrans-63-42177.653.10000112G3 S4 L10 F11G3-T7 WeakPolarHBondContact O-CG2 3.27Å; G3-T7 PolarHBondContact O-N 3.24Å; G3-T7 PolarHBondContact O-OG1 3.17Å; S4-T7 VanDerWaalsContact C-OG1 3.32Å; S4-T7 VanDerWaalsContact CA-OG1 3.28Å; S4-T7 WeakPolarHBondContact CA-OG1 3.44Å; S4-T7 PolarHBondContact O-N 2.91Å; S4-T7 PolarHBondContact O-OG1 2.95Å; T7-L10 PolarHBondContact O-N 3.24Å; T7-F11 WeakPolarHBondContact O-CB 3.31Å; T7-F11 PolarHBondContact O-N 3.37Å
8L87.8Confident81.3Confident109 Ų109107.8 Ų107.857%0.57158%0.576SS**Hα-helixtrans-67.2-39.5178.3-71173.8000111.9S4 I5 F6 F11 S12S4-L8 WeakPolarHBondContact O-CB 3.43Å; S4-L8 VanDerWaalsContact O-CG 3.25Å; S4-L8 WeakPolarHBondContact O-CG 3.41Å; S4-L8 PolarHBondContact O-N 3Å; I5-L8 PolarHBondContact O-N 3.13Å; F6-L8 PolarHBondContact O-N 3.03Å; L8-F11 PolarHBondContact O-N 3.02Å; L8-S12 WeakPolarHBondContact O-CB 3.34Å; L8-S12 PolarHBondContact O-N 3Å; L8-S12 PolarHBondContact O-OG 2.02Å
9F89.8Confident80.1Confident136 Ų136109.4 Ų109.460%0.59658%0.58SS**Hα-helixtrans-63.3-47.4175.4-177.4-99.7000111.5I5 F6 F11 S12 V13I5-F9 WeakPolarHBondContact O-CB 3.45Å; I5-F9 PolarHBondContact O-N 2.83Å; F6-F9 PolarHBondContact O-N 2.99Å; F9-F11 PolarHBondContact O-N 3.06Å; F9-S12 PolarHBondContact O-N 3.42Å; F9-V13 HydrophobicContact CD1-CG2 4.46Å; F9-V13 HydrophobicContact CE1-CG2 4.11Å; F9-V13 HydrophobicContact CZ-CG2 4.17Å; F9-V13 WeakPolarHBondContact O-CG2 3.06Å; F9-V13 PolarHBondContact O-N 2.94Å
10L89.7Confident78.8Confident104 Ų104110 Ų11055%0.54559%0.587SS.*Hα-helixtrans-61.5-43.2175.9-69.3174.4000111.8F6 T7 S12 V13 L14F6-L10 WeakPolarHBondContact O-CB 3.02Å; F6-L10 VanDerWaalsContact O-CG 3.24Å; F6-L10 WeakPolarHBondContact O-CG 3.34Å; F6-L10 PolarHBondContact O-N 3.14Å; T7-L10 PolarHBondContact O-N 3.24Å; L10-S12 VanDerWaalsContact C-N 3.33Å; L10-S12 PolarHBondContact O-N 3.12Å; L10-V13 PolarHBondContact O-N 3.5Å; L10-L14 WeakPolarHBondContact O-CB 3.04Å; L10-L14 VanDerWaalsContact O-CG 3.28Å; L10-L14 WeakPolarHBondContact O-CG 3.22Å; L10-L14 PolarHBondContact O-N 3Å
11F85.6Confident77.5Confident146 Ų146112.7 Ų112.764%0.6459%0.589SS**Hα-helixtrans-60.4-44176.1-124.4-90.3000111.7T7 L8 F9 V13 L14 F15T7-F11 WeakPolarHBondContact O-CB 3.31Å; T7-F11 PolarHBondContact O-N 3.37Å; L8-F11 PolarHBondContact O-N 3.02Å; F9-F11 PolarHBondContact O-N 3.06Å; F11-V13 VanDerWaalsContact C-N 3.35Å; F11-V13 PolarHBondContact O-N 3.25Å; F11-L14 PolarHBondContact O-N 3.17Å; F11-F15 WeakPolarHBondContact O-CB 3.44Å; F11-F15 PolarHBondContact O-N 3.43Å
12S86Confident77.1Confident77 Ų77107.5 Ų107.554%0.53857%0.574SS.*Hα-helixtrans-62.3-42.2179-57.90000111.8L8 F9 L10 F15 A16L8-S12 WeakPolarHBondContact O-CB 3.34Å; L8-S12 PolarHBondContact O-N 3Å; L8-S12 PolarHBondContact O-OG 2.02Å; F9-S12 PolarHBondContact O-N 3.42Å; L10-S12 VanDerWaalsContact C-N 3.33Å; L10-S12 PolarHBondContact O-N 3.12Å; S12-F15 PolarHBondContact O-N 2.88Å; S12-A16 WeakPolarHBondContact O-CB 3.46Å; S12-A16 PolarHBondContact O-N 3.28Å
13V86.8Confident76.4Confident63 Ų63108.6 Ų108.638%0.38258%0.578SS.*Hα-helixtrans-66-44.3176.4173.40000111.2F9 L10 F11 F15 A16 I17F9-V13 HydrophobicContact CD1-CG2 4.46Å; F9-V13 HydrophobicContact CE1-CG2 4.11Å; F9-V13 HydrophobicContact CZ-CG2 4.17Å; F9-V13 WeakPolarHBondContact O-CG2 3.06Å; F9-V13 PolarHBondContact O-N 2.94Å; L10-V13 PolarHBondContact O-N 3.5Å; F11-V13 VanDerWaalsContact C-N 3.35Å; F11-V13 PolarHBondContact O-N 3.25Å; V13-F15 VanDerWaalsContact C-N 3.33Å; V13-F15 PolarHBondContact O-N 3.03Å; V13-A16 PolarHBondContact O-N 3.23Å; V13-I17 HydrophobicContact CG1-CD1 3.82Å; V13-I17 WeakPolarHBondContact O-CD1 3.43Å; V13-I17 VanDerWaalsContact O-CG1 3.26Å; V13-I17 WeakPolarHBondContact O-CG1 3.34Å; V13-I17 PolarHBondContact O-N 2.03Å
14L84Confident76Confident105 Ų105110.9 Ų110.955%0.5558%0.576SS.*Hα-helixtrans-62.6-39.9177-71.9171000112.2L10 F11 I17 S18L10-L14 WeakPolarHBondContact O-CB 3.04Å; L10-L14 VanDerWaalsContact O-CG 3.28Å; L10-L14 WeakPolarHBondContact O-CG 3.22Å; L10-L14 PolarHBondContact O-N 3Å; F11-L14 PolarHBondContact O-N 3.17Å; L14-I17 PolarHBondContact O-N 3.48Å; L14-S18 WeakPolarHBondContact O-CB 3.4Å; L14-S18 PolarHBondContact O-N 3.21Å; L14-S18 PolarHBondContact O-OG 3.25Å
15F76.2Confident75.9Confident132 Ų132111.2 Ų111.258%0.57958%0.579SS**Hα-helixtrans-65.9-44.6177.7-141-95.9000110.9F11 S12 V13 I17 S18 E19F11-F15 WeakPolarHBondContact O-CB 3.44Å; F11-F15 PolarHBondContact O-N 3.43Å; S12-F15 PolarHBondContact O-N 2.88Å; V13-F15 VanDerWaalsContact C-N 3.33Å; V13-F15 PolarHBondContact O-N 3.03Å; F15-I17 VanDerWaalsContact C-N 3.29Å; F15-I17 PolarHBondContact O-N 3.09Å; F15-S18 PolarHBondContact O-N 3.45Å; F15-S18 VanDerWaalsContact O-N 3.1Å; F15-E19 PolarHBondContact O-N 2.75Å; F15-E19 VanDerWaalsContact O-N 3.1Å
16A79.1Confident75.7Confident56 Ų56108.2 Ų108.246%0.46357%0.565SS.*Hα-helixtrans-60-36.7175.800000112.8S12 V13S12-A16 WeakPolarHBondContact O-CB 3.46Å; S12-A16 PolarHBondContact O-N 3.28Å; V13-A16 PolarHBondContact O-N 3.23Å
17I71.4Confident75.9Confident107 Ų107109.8 Ų109.855%0.54957%0.567SS.*Hα-helixtrans-73.5-34.6176.1-63.1162000111.3V13 L14 F15 V20 R21V13-I17 HydrophobicContact CG1-CD1 3.82Å; V13-I17 WeakPolarHBondContact O-CD1 3.43Å; V13-I17 VanDerWaalsContact O-CG1 3.26Å; V13-I17 WeakPolarHBondContact O-CG1 3.34Å; V13-I17 PolarHBondContact O-N 2.03Å; L14-I17 PolarHBondContact O-N 3.48Å; F15-I17 VanDerWaalsContact C-N 3.29Å; F15-I17 PolarHBondContact O-N 3.09Å; I17-V20 PolarHBondContact O-N 3.18Å; I17-R21 PolarHBondContact O-N 3.36Å
18S64Low75.8Confident72 Ų72107 Ų10750%0.50355%0.549SS..Hα-helixtrans-69.6-34.4-178.4-59.90000112.6L14 F15 V20 R21 S22L14-S18 WeakPolarHBondContact O-CB 3.4Å; L14-S18 PolarHBondContact O-N 3.21Å; L14-S18 PolarHBondContact O-OG 3.25Å; F15-S18 PolarHBondContact O-N 3.45Å; F15-S18 VanDerWaalsContact O-N 3.1Å; S18-V20 PolarHBondContact O-N 2.6Å; S18-R21 PolarHBondContact O-N 3.06Å; S18-R21 VanDerWaalsContact O-N 3.12Å; S18-S22 PolarHBondContact O-N 3.43Å
19E57.9Low76Confident138 Ų138104.5 Ų104.565%0.64554%0.541SS*.Hα-helixtrans-59.6-36174.7-72.6-174.9157.200112.1F15 R21F15-E19 PolarHBondContact O-N 2.75Å; F15-E19 VanDerWaalsContact O-N 3.1Å; E19-R21 VanDerWaalsContact C-N 3.32Å; E19-R21 PolarHBondContact O-N 3.5Å
20V53.3Low76Confident121 Ų12199.9 Ų99.973%0.73353%0.531SS*.Hα-helixtrans-69.9-31.4178.2-177.60000111.6I17 S18I17-V20 PolarHBondContact O-N 3.18Å; S18-V20 PolarHBondContact O-N 2.6Å
21R51.6Low76Confident167 Ų16797.4 Ų97.463%0.6353%0.525SS*.Hα-helixtrans-79.5-19.4-177.8-167.6167.9-128.6-177.89.3113.8I17 S18 E19 K23 E24I17-R21 PolarHBondContact O-N 3.36Å; S18-R21 PolarHBondContact O-N 3.06Å; S18-R21 VanDerWaalsContact O-N 3.12Å; E19-R21 VanDerWaalsContact C-N 3.32Å; E19-R21 PolarHBondContact O-N 3.5Å; R21-K23 PolarHBondContact O-N 2.91Å; R21-E24 VanDerWaalsContact CD-OE1 3.24Å; R21-E24 WeakPolarHBondContact CD-OE1 3.41Å; R21-E24 HydrophobicContact CG-CG 4.08Å; R21-E24 WeakPolarHBondContact CG-OE1 3.31Å; R21-E24 VanDerWaalsContact CG-OE2 3.28Å; R21-E24 WeakPolarHBondContact CG-OE2 3.49Å; R21-E24 IonicContact CZ-OE1 2.72Å; R21-E24 IonicContact CZ-OE2 3.86Å; R21-E24 IonicContact NE-OE1 2.69Å; R21-E24 PolarHBondContact NE-OE1 2.9Å; R21-E24 VanDerWaalsContact NE-OE1 3.1Å; R21-E24 IonicContact NE-OE2 3.1Å; R21-E24 PolarHBondContact NE-OE2 2.9Å; R21-E24 IonicContact NH2-OE2 3.79Å; R21-E24 WeakPolarHBondContact O-CG 2.95Å; R21-E24 PolarHBondContact O-N 3.09Å
22S53.4Low76.2Confident101 Ų10195.2 Ų95.271%0.70652%0.517SS*.THydrogen-bonded Turntrans-61.5-12-175.7-174.20000114.3S18S18-S22 PolarHBondContact O-N 3.43Å
23K59Low76.4Confident193 Ų19392 Ų9284%0.83949%0.494SS*.THydrogen-bonded Turntrans-115.625.9179.1-156.3148.2-177.5165.80113.2R21 S25R21-K23 PolarHBondContact O-N 2.91Å; K23-S25 PolarHBondContact O-N 3.24Å
24E71.5Confident76.6Confident95 Ų9593.2 Ų93.244%0.44450%0.497SS..PPolyproline II helixtrans-78.3116.2168.872-169.1171.500109.8R21 V26R21-E24 VanDerWaalsContact CD-OE1 3.24Å; R21-E24 WeakPolarHBondContact CD-OE1 3.41Å; R21-E24 HydrophobicContact CG-CG 4.08Å; R21-E24 WeakPolarHBondContact CG-OE1 3.31Å; R21-E24 VanDerWaalsContact CG-OE2 3.28Å; R21-E24 WeakPolarHBondContact CG-OE2 3.49Å; R21-E24 IonicContact CZ-OE1 2.72Å; R21-E24 IonicContact CZ-OE2 3.86Å; R21-E24 IonicContact NE-OE1 2.69Å; R21-E24 PolarHBondContact NE-OE1 2.9Å; R21-E24 VanDerWaalsContact NE-OE1 3.1Å; R21-E24 IonicContact NE-OE2 3.1Å; R21-E24 PolarHBondContact NE-OE2 2.9Å; R21-E24 IonicContact NH2-OE2 3.79Å; R21-E24 WeakPolarHBondContact O-CG 2.95Å; R21-E24 PolarHBondContact O-N 3.09Å; E24-V26 HydrophobicContact CG-CG1 4.45Å
25S80.6Confident76.8Confident77 Ų7795.3 Ų95.354%0.53850%0.497SS..PPolyproline II helixtrans-80.3122.2168.752.10000108.7K23 C126K23-S25 PolarHBondContact O-N 3.24Å; S25-C126 WeakPolarHBondContact CA-O 3.26Å
26V85.4Confident77.5Confident51 Ų5190.4 Ų90.431%0.30948%0.478SS..BIsolated β-bridgetrans-103.9136.5179.1-66.10000110.2E24 L28 G125 C126E24-V26 HydrophobicContact CG-CG1 4.45Å; V26-L28 HydrophobicContact CG2-CD1 3.76Å; V26-L28 HydrophobicContact CG2-CG 3.98Å; V26-G125 WeakPolarHBondContact O-CA 3.5Å; V26-C126 PolarHBondContact N-O 2.93Å; V26-C126 PolarHBondContact O-N 3.32Å
27R91.1Very high78Confident175 Ų17588 Ų8866%0.6646%0.458SS*.  trans-85.7114175.8-63.8-17972.9-179.75.2109C121 C122 T123R27-C121 VanDerWaalsContact CA-O 3.31Å; R27-C121 WeakPolarHBondContact CA-O 3.24Å; R27-C122 PolarHBondContact NE-O 3.47Å; R27-C122 PolarHBondContact NH2-O 3.26Å; R27-T123 PolarHBondContact NE-O 2.77Å; R27-T123 PolarHBondContact NH2-O 3.34Å
28L88.7Confident78.9Confident22 Ų2288.1 Ų88.112%0.11546%0.458CS..  trans-123.4122.8-176.9-68.2166.2000108.9V26 E32 Y33 T36 C121 C122 L131V26-L28 HydrophobicContact CG2-CD1 3.76Å; V26-L28 HydrophobicContact CG2-CG 3.98Å; L28-E32 HydrophobicContact CD2-CB 4.25Å; L28-Y33 HydrophobicContact CB-CD2 4.44Å; L28-T36 HydrophobicContact CD1-CG2 3.78Å; L28-C121 PolarHBondContact N-O 2.96Å; L28-C121 CarbonylContact O-C 3.52Å; L28-C122 PolarHBondContact O-N 3.42Å; L28-L131 HydrophobicContact CD1-CD1 3.88Å; L28-L131 HydrophobicContact CD1-CD2 4.15Å
29C91.3Very high80.1Confident57 Ų5793 Ų9339%0.38547%0.467SS..  trans-125.5149.6-177.2-560000110.8A31 E32 C122C29-A31 PolarHBondContact O-N 3.33Å; C29-E32 PolarHBondContact O-N 3.46Å; C29-C122 HydrophobicContact CB-CB 3.95Å; C29-C122 WeakPolarHBondContact CB-SG 3.4Å; C29-C122 WeakPolarHBondContact SG-CA 3.44Å; C29-C122 WeakPolarHBondContact SG-CB 3.43Å; C29-C122 CovalentContact SG-SG 2.03Å; C29-C122 PolarHBondContact SG-SG 3.03Å
30G90.5Very high81.5Confident39 Ų3987.3 Ų87.340%0.40244%0.441SS..Hα-helixtrans53.8-123.1171.300000114.1E32 Y33 I34G30-E32 VanDerWaalsContact C-N 3.33Å; G30-E32 PolarHBondContact O-N 3.19Å; G30-Y33 PolarHBondContact O-N 3.32Å; G30-I34 WeakPolarHBondContact O-CG1 3.1Å; G30-I34 PolarHBondContact O-N 3.47Å
31A88.3Confident83Confident51 Ų5182.8 Ų82.842%0.42141%0.414SS..Hα-helixtrans-68.9-29.3-17600000113.5C29 I34 R35C29-A31 PolarHBondContact O-N 3.33Å; A31-I34 PolarHBondContact O-N 3.1Å; A31-R35 WeakPolarHBondContact O-CG 3.28Å; A31-R35 PolarHBondContact O-N 3.05Å
32E90.8Very high84.6Confident100 Ų10076.7 Ų76.747%0.46740%0.4SS..Hα-helixtrans-68-42.1178.3-63.4-51.4115.900110.9L28 C29 G30 I34 R35 T36L28-E32 HydrophobicContact CD2-CB 4.25Å; C29-E32 PolarHBondContact O-N 3.46Å; G30-E32 VanDerWaalsContact C-N 3.33Å; G30-E32 PolarHBondContact O-N 3.19Å; E32-I34 VanDerWaalsContact C-N 3.32Å; E32-I34 PolarHBondContact O-N 2.98Å; E32-R35 PolarHBondContact O-N 3.33Å; E32-R35 IonicContact OE1-CZ 2.9Å; E32-R35 IonicContact OE1-NH1 3.72Å; E32-R35 PolarHBondContact OE1-NH1 3.3Å; E32-T36 WeakPolarHBondContact O-CB 3.24Å; E32-T36 PolarHBondContact O-N 3.12Å; E32-T36 PolarHBondContact O-OG1 3.02Å
33Y90.4Very high85.5Confident11 Ų1173.9 Ų73.94%0.04338%0.38CS..Hα-helixtrans-55.2-48.7171.4172.3-95.3000111.5L28 G30 R35 T36 V37 Q118 C121 L131 L134L28-Y33 HydrophobicContact CB-CD2 4.44Å; G30-Y33 PolarHBondContact O-N 3.32Å; Y33-R35 PolarHBondContact O-N 2.93Å; Y33-T36 PolarHBondContact O-N 3.46Å; Y33-V37 HydrophobicContact CD1-CG2 4.34Å; Y33-V37 HydrophobicContact CD2-CG2 4.22Å; Y33-V37 HydrophobicContact CE1-CG2 3.96Å; Y33-V37 HydrophobicContact CE2-CG2 3.84Å; Y33-V37 HydrophobicContact CG-CG2 4.46Å; Y33-V37 WeakPolarHBondContact O-CB 3.3Å; Y33-V37 VanDerWaalsContact O-CG2 3.3Å; Y33-V37 WeakPolarHBondContact O-CG2 3.49Å; Y33-V37 PolarHBondContact O-N 3.1Å; Y33-Q118 HydrophobicContact CD1-CB 4.07Å; Y33-Q118 HydrophobicContact CD1-CG 3.68Å; Y33-Q118 HydrophobicContact CD2-CG 4.47Å; Y33-Q118 HydrophobicContact CE1-CB 3.79Å; Y33-Q118 HydrophobicContact CE1-CG 3.94Å; Y33-Q118 HydrophobicContact CE2-CB 4.37Å; Y33-Q118 HydrophobicContact CG-CB 4.48Å; Y33-Q118 HydrophobicContact CG-CG 3.97Å; Y33-C121 HydrophobicContact CD2-CB 4.2Å; Y33-C121 HydrophobicContact CE2-CB 4.32Å; Y33-L131 HydrophobicContact CD2-CD2 4.16Å; Y33-L131 HydrophobicContact CE2-CD2 3.95Å; Y33-L134 VanDerWaalsContact OH-CD1 3.31Å; Y33-L134 WeakPolarHBondContact OH-CD1 3.4Å
34I89.9Confident86.1Confident88 Ų8865.9 Ų65.945%0.45135%0.349SS..Hα-helixtrans-63-46.7-178.4-62.1168.9000110.8G30 A31 E32 T36 V37 I38G30-I34 WeakPolarHBondContact O-CG1 3.1Å; G30-I34 PolarHBondContact O-N 3.47Å; A31-I34 PolarHBondContact O-N 3.1Å; E32-I34 VanDerWaalsContact C-N 3.32Å; E32-I34 PolarHBondContact O-N 2.98Å; I34-T36 VanDerWaalsContact C-N 3.34Å; I34-T36 PolarHBondContact O-N 3.1Å; I34-V37 PolarHBondContact O-N 2.91Å; I34-I38 HydrophobicContact CG2-CD1 3.7Å; I34-I38 HydrophobicContact CG2-CG1 4.35Å; I34-I38 WeakPolarHBondContact O-CB 3.38Å; I34-I38 VanDerWaalsContact O-CG1 3.26Å; I34-I38 WeakPolarHBondContact O-CG1 3.46Å; I34-I38 PolarHBondContact O-N 3.39Å
35R88.8Confident85.8Confident148 Ų14870.8 Ų70.856%0.55836%0.363SS*.Hα-helixtrans-58.8-45.9177.7-74.5177-178.1111.76.6111.5A31 E32 Y33 I38 Y39A31-R35 WeakPolarHBondContact O-CG 3.28Å; A31-R35 PolarHBondContact O-N 3.05Å; E32-R35 PolarHBondContact O-N 3.33Å; E32-R35 IonicContact OE1-CZ 2.9Å; E32-R35 IonicContact OE1-NH1 3.72Å; E32-R35 PolarHBondContact OE1-NH1 3.3Å; Y33-R35 PolarHBondContact O-N 2.93Å; R35-I38 PolarHBondContact O-N 3.29Å; R35-Y39 WeakPolarHBondContact O-CB 3.26Å; R35-Y39 PolarHBondContact O-N 2.92Å
36T90.6Very high84.9Confident29 Ų2975.4 Ų75.418%0.17837%0.369CS..Hα-helixtrans-64.4-45.5178.9-58.40000111.8L28 E32 Y33 I34 I38 Y39 I40 M128 L131L28-T36 HydrophobicContact CD1-CG2 3.78Å; E32-T36 WeakPolarHBondContact O-CB 3.24Å; E32-T36 PolarHBondContact O-N 3.12Å; E32-T36 PolarHBondContact O-OG1 3.02Å; Y33-T36 PolarHBondContact O-N 3.46Å; I34-T36 VanDerWaalsContact C-N 3.34Å; I34-T36 PolarHBondContact O-N 3.1Å; T36-I38 PolarHBondContact O-N 3.47Å; T36-Y39 PolarHBondContact O-N 3.07Å; T36-I40 HydrophobicContact CG2-CD1 3.67Å; T36-I40 HydrophobicContact CG2-CG1 4.39Å; T36-I40 WeakPolarHBondContact O-CB 3.3Å; T36-I40 VanDerWaalsContact O-CG1 3.3Å; T36-I40 WeakPolarHBondContact O-CG1 3.5Å; T36-I40 PolarHBondContact O-N 3.48Å; T36-M128 HydrophobicContact CG2-CE 4.46Å; T36-L131 HydrophobicContact CG2-CD1 4.27Å; T36-L131 HydrophobicContact CG2-CD2 4.45Å
37V89.6Confident83.7Confident7 Ų779.7 Ų79.74%0.04238%0.379CS..Hα-helixtrans-62.5-43.4177.71720000111.1Y33 I34 Y39 I40 C41 L131 L134Y33-V37 HydrophobicContact CD1-CG2 4.34Å; Y33-V37 HydrophobicContact CD2-CG2 4.22Å; Y33-V37 HydrophobicContact CE1-CG2 3.96Å; Y33-V37 HydrophobicContact CE2-CG2 3.84Å; Y33-V37 HydrophobicContact CG-CG2 4.46Å; Y33-V37 WeakPolarHBondContact O-CB 3.3Å; Y33-V37 VanDerWaalsContact O-CG2 3.3Å; Y33-V37 WeakPolarHBondContact O-CG2 3.49Å; Y33-V37 PolarHBondContact O-N 3.1Å; I34-V37 PolarHBondContact O-N 2.91Å; V37-Y39 PolarHBondContact O-N 3.37Å; V37-I40 PolarHBondContact O-N 2.93Å; V37-C41 WeakPolarHBondContact O-CB 3.47Å; V37-C41 PolarHBondContact O-N 3.34Å; V37-C41 PolarHBondContact O-SG 3.32Å; V37-L131 HydrophobicContact CG2-CD2 3.63Å; V37-L134 HydrophobicContact CG1-CD1 3.96Å; V37-L134 HydrophobicContact CG2-CD1 3.81Å
38I90.4Very high82.4Confident108 Ų10878.7 Ų78.755%0.55438%0.375SS*.Hα-helixtrans-60.6-47.1176.1-70169.2000110.5I34 R35 T36 I40 C41 A42I34-I38 HydrophobicContact CG2-CD1 3.7Å; I34-I38 HydrophobicContact CG2-CG1 4.35Å; I34-I38 WeakPolarHBondContact O-CB 3.38Å; I34-I38 VanDerWaalsContact O-CG1 3.26Å; I34-I38 WeakPolarHBondContact O-CG1 3.46Å; I34-I38 PolarHBondContact O-N 3.39Å; R35-I38 PolarHBondContact O-N 3.29Å; T36-I38 PolarHBondContact O-N 3.47Å; I38-I40 PolarHBondContact O-N 3.48Å; I38-C41 PolarHBondContact O-N 2.92Å; I38-A42 WeakPolarHBondContact O-CB 3.46Å; I38-A42 PolarHBondContact O-N 3.39Å
39Y88.9Confident80.9Confident176 Ų17683.9 Ų83.969%0.6940%0.399SS*.Hα-helixtrans-59-48179.2177.2-97.8000111.8R35 T36 V37 S43R35-Y39 WeakPolarHBondContact O-CB 3.26Å; R35-Y39 PolarHBondContact O-N 2.92Å; T36-Y39 PolarHBondContact O-N 3.07Å; V37-Y39 PolarHBondContact O-N 3.37Å; Y39-S43 WeakPolarHBondContact O-CB 3.32Å; Y39-S43 PolarHBondContact O-N 3.45Å
40I87Confident79.1Confident17 Ų1786.3 Ų86.39%0.08741%0.408CS..Hα-helixtrans-64.4-50179.2-67.9169.1000110.6T36 V37 I38 A42 S43 S44 M128 L131T36-I40 HydrophobicContact CG2-CD1 3.67Å; T36-I40 HydrophobicContact CG2-CG1 4.39Å; T36-I40 WeakPolarHBondContact O-CB 3.3Å; T36-I40 VanDerWaalsContact O-CG1 3.3Å; T36-I40 WeakPolarHBondContact O-CG1 3.5Å; T36-I40 PolarHBondContact O-N 3.48Å; V37-I40 PolarHBondContact O-N 2.93Å; I38-I40 PolarHBondContact O-N 3.48Å; I40-A42 PolarHBondContact O-N 3Å; I40-S43 PolarHBondContact O-N 3.34Å; I40-S43 VanDerWaalsContact O-N 3.17Å; I40-S43 PolarHBondContact O-OG 2.94Å; I40-S44 PolarHBondContact O-N 3.49Å; I40-M128 HydrophobicContact CD1-CE 4.02Å; I40-M128 HydrophobicContact CD1-SD 3.71Å; I40-M128 HydrophobicContact CG1-SD 4.37Å; I40-L131 HydrophobicContact CD1-CB 3.67Å; I40-L131 HydrophobicContact CD1-CD1 4.2Å; I40-L131 HydrophobicContact CD1-CG 4.43Å
41C85.4Confident77.4Confident26 Ų2690.3 Ų90.318%0.17642%0.416CS..Hα-helixtrans-65-39.3-179.5-66.80000112.5V37 I38 S43 S44 R45 C135V37-C41 WeakPolarHBondContact O-CB 3.47Å; V37-C41 PolarHBondContact O-N 3.34Å; V37-C41 PolarHBondContact O-SG 3.32Å; I38-C41 PolarHBondContact O-N 2.92Å; C41-S43 VanDerWaalsContact C-N 3.34Å; C41-S43 PolarHBondContact O-N 3.39Å; C41-S44 PolarHBondContact O-N 3.46Å; C41-S44 PolarHBondContact O-OG 3.45Å; C41-R45 PolarHBondContact O-N 3.02Å; C41-C135 WeakPolarHBondContact CA-SG 3.12Å; C41-C135 HydrophobicContact CB-CB 3.66Å; C41-C135 WeakPolarHBondContact CB-SG 3.03Å; C41-C135 WeakPolarHBondContact SG-CB 3.41Å; C41-C135 CovalentContact SG-SG 2.03Å; C41-C135 PolarHBondContact SG-SG 2.72Å
42A85.9Confident75.7Confident39 Ų3991.1 Ų91.132%0.32243%0.429SS..Hα-helixtrans-57.8-49.8172.600000109.8I38 I40 S44 R45 W46I38-A42 WeakPolarHBondContact O-CB 3.46Å; I38-A42 PolarHBondContact O-N 3.39Å; I40-A42 PolarHBondContact O-N 3Å; A42-S44 VanDerWaalsContact C-N 3.28Å; A42-S44 PolarHBondContact O-N 2.98Å; A42-R45 WeakPolarHBondContact O-CA 3.39Å; A42-R45 WeakPolarHBondContact O-CB 3.38Å; A42-R45 PolarHBondContact O-N 3.34Å; A42-W46 PolarHBondContact O-N 3.36Å
43S71.8Confident73.6Confident42 Ų4291.4 Ų91.429%0.29443%0.433SS..Hα-helixtrans-59.3-36.9178.680.50000112.9Y39 I40 C41 R45 W46 R47Y39-S43 WeakPolarHBondContact O-CB 3.32Å; Y39-S43 PolarHBondContact O-N 3.45Å; I40-S43 PolarHBondContact O-N 3.34Å; I40-S43 VanDerWaalsContact O-N 3.17Å; I40-S43 PolarHBondContact O-OG 2.94Å; C41-S43 VanDerWaalsContact C-N 3.34Å; C41-S43 PolarHBondContact O-N 3.39Å; S43-R45 VanDerWaalsContact C-N 3.35Å; S43-W46 PolarHBondContact O-N 3.45Å; S43-R47 WeakPolarHBondContact O-CB 3.42Å; S43-R47 PolarHBondContact O-N 2.69Å
44S70.3Confident71.3Confident26 Ų2696.6 Ų96.618%0.18247%0.468CS..Hα-helixtrans-65.5-37.817579.10000112I40 C41 A42 R47 R48 C135I40-S44 PolarHBondContact O-N 3.49Å; C41-S44 PolarHBondContact O-N 3.46Å; C41-S44 PolarHBondContact O-OG 3.45Å; A42-S44 VanDerWaalsContact C-N 3.28Å; A42-S44 PolarHBondContact O-N 2.98Å; S44-R47 PolarHBondContact O-N 3Å; S44-R48 WeakPolarHBondContact O-CG 3.45Å; S44-R48 PolarHBondContact O-N 2.76Å; S44-C135 WeakPolarHBondContact OG-CB 3.03Å
45R66.2Low69Low197 Ų19799.6 Ų99.674%0.74348%0.48SS*.Hα-helixtrans-70.3-42.2176.6-173.4178.2179.2134.4-0.1111.9C41 A42 S43 R47 R48 H49C41-R45 PolarHBondContact O-N 3.02Å; A42-R45 WeakPolarHBondContact O-CA 3.39Å; A42-R45 WeakPolarHBondContact O-CB 3.38Å; A42-R45 PolarHBondContact O-N 3.34Å; S43-R45 VanDerWaalsContact C-N 3.35Å; R45-R47 VanDerWaalsContact C-N 3.3Å; R45-R47 PolarHBondContact O-N 3.46Å; R45-R48 PolarHBondContact O-N 3.31Å; R45-H49 PolarHBondContact O-N 2.94Å
46W60.7Low66.4Low174 Ų17496.4 Ų96.466%0.65949%0.485SS*.Hα-helixtrans-61.7-38.4173.3-74106.7000111.7A42 S43 H49 L50A42-W46 PolarHBondContact O-N 3.36Å; S43-W46 PolarHBondContact O-N 3.45Å; W46-H49 WeakPolarHBondContact O-CB 3.5Å; W46-H49 PolarHBondContact O-N 2.81Å; W46-H49 VanDerWaalsContact O-N 3.13Å; W46-L50 PolarHBondContact O-N 2.68Å
47R60.9Low63.8Low141 Ų141103.2 Ų103.253%0.53252%0.515SS..Hα-helixtrans-62.5-44.6177.2-149.8176.5-61.7-113.92.1112S43 S44 R45 H49 L50 E51S43-R47 WeakPolarHBondContact O-CB 3.42Å; S43-R47 PolarHBondContact O-N 2.69Å; S44-R47 PolarHBondContact O-N 3Å; R45-R47 VanDerWaalsContact C-N 3.3Å; R45-R47 PolarHBondContact O-N 3.46Å; R47-H49 PolarHBondContact O-N 2.87Å; R47-L50 PolarHBondContact O-N 2.03Å; R47-L50 VanDerWaalsContact O-N 3.15Å; R47-E51 PolarHBondContact O-N 2.95Å
48R63.8Low61.7Low154 Ų154111.6 Ų111.658%0.58155%0.554SS**Hα-helixtrans-60.3-29.6173.2-65.1173.4-167.9140.22113.2S44 R45 C135S44-R48 WeakPolarHBondContact O-CG 3.45Å; S44-R48 PolarHBondContact O-N 2.76Å; R45-R48 PolarHBondContact O-N 3.31Å; R48-C135 PolarHBondContact NH2-O 3.06Å
49H58.3Low59.2Low132 Ų132110.1 Ų110.161%0.61156%0.558SS**Hα-helixtrans-78.8-35.3176.2-174.4-84.7000112.5R45 W46 R47R45-H49 PolarHBondContact O-N 2.94Å; W46-H49 WeakPolarHBondContact O-CB 3.5Å; W46-H49 PolarHBondContact O-N 2.81Å; W46-H49 VanDerWaalsContact O-N 3.13Å; R47-H49 PolarHBondContact O-N 2.87Å
50L53.2Low56.5Low108 Ų108110.9 Ų110.957%0.56557%0.568SS**Hα-helixtrans-77.4-29.4177.7-76.1166.2000113.1W46 R47 G52 I53W46-L50 PolarHBondContact O-N 2.68Å; R47-L50 PolarHBondContact O-N 2.03Å; R47-L50 VanDerWaalsContact O-N 3.15Å; L50-G52 PolarHBondContact O-N 3.17Å; L50-G52 VanDerWaalsContact O-N 3.1Å; L50-I53 PolarHBondContact O-N 3.44Å
51E55Low54.2Low123 Ų123116.8 Ų116.858%0.57561%0.605SS**THydrogen-bonded Turntrans-62.8-13.7173.8-122.582.5-130.700113.4R47R47-E51 PolarHBondContact O-N 2.95Å
52G51.6Low51.9Low68 Ų68117.9 Ų117.970%0.70162%0.621SS**THydrogen-bonded Turntrans-84.9-2.7170.400000114.6L50L50-G52 PolarHBondContact O-N 3.17Å; L50-G52 VanDerWaalsContact O-N 3.1Å
53I47.4Very low49.3Very low105 Ų105124.1 Ų124.154%0.53865%0.648SS.*SBendtrans-117.5125174.4-60.7-167.9000107.6L50 Q55L50-I53 PolarHBondContact O-N 3.44Å; I53-Q55 PolarHBondContact O-N 2.68Å; I53-Q55 VanDerWaalsContact O-N 3.08Å
54P42.5Very low47.4Very low121 Ų121127 Ų12779%0.78667%0.668SS**  trans-54.3120.8-179.2-24.733.1000111.3A56P54-A56 PolarHBondContact O-N 2.81Å
55Q41.4Very low45.6Very low151 Ų151136.1 Ų136.171%0.70671%0.706SS**  trans-35101176.8-75.6-92.25.900113.4I53I53-Q55 PolarHBondContact O-N 2.68Å; I53-Q55 VanDerWaalsContact O-N 3.08Å
56A34.2Very low43.9Very low81 Ų81135 Ų13567%0.66971%0.709SS**  trans-114.498.1155.700000107.8P54P54-A56 PolarHBondContact O-N 2.81Å
57Q35.4Very low42.5Very low171 Ų171134 Ų13480%0.79972%0.715SS**  trans59.891.3144.7-59.4171-100.500116.2A59Q57-A59 PolarHBondContact O-N 3.3Å
58Q44.6Very low41.2Very low183 Ų183133.3 Ų133.386%0.85573%0.729SS**SBendtrans-57.287.4143.7-82.3-178.2-37.700109.4
59A38.4Very low39.5Very low78 Ų78132.6 Ų132.665%0.64574%0.737SS**  trans-174.386.7157.200000108.9Q57Q57-A59 PolarHBondContact O-N 3.3Å
60E32.9Very low38Very low191 Ų191133.3 Ų133.389%0.89374%0.738SS**  trans-150.1102.7145.7-120.4-175.1149.700111.3G62E60-G62 PolarHBondContact O-N 3.48Å
61T37.9Very low36.9Very low141 Ų141139.9 Ų139.987%0.86576%0.756SS**  trans-43.9123.4149.3-720000110.2
62G37Very low35.6Very low50 Ų50141 Ų14152%0.51576%0.761SS.*  trans58.5109.915500000116.9E60E60-G62 PolarHBondContact O-N 3.48Å
63N31.1Very low34.4Very low169 Ų169145.4 Ų145.490%0.90476%0.761SS**  174.1137.3121.9-82.1-36.7000111.7
64S31.6Very low33.3Very low102 Ų102146.1 Ų146.171%0.71378%0.775SS**  trans53.996.7162.4-91.10000119Q66S64-Q66 PolarHBondContact O-N 3.46Å
65F33.8Very low32.8Very low219 Ų219147.8 Ų147.896%0.96177%0.772SS**  trans-59.392.2142.9-83.2-93.4000108.7L67F65-L67 PolarHBondContact O-N 2.85Å
66Q29.8Very low32Very low174 Ų174149.8 Ų149.881%0.81378%0.782SS**  trans-81.196.2156.5-86.1-166.51600108.2S64 P68S64-Q66 PolarHBondContact O-N 3.46Å; Q66-P68 WeakPolarHBondContact O-CD 3.09Å
67L31.8Very low31.7Very low151 Ų151152.7 Ų152.779%0.79179%0.786SS**  trans-62121.6158.3-172.676.5000108.4F65 N69F65-L67 PolarHBondContact O-N 2.85Å; L67-N69 PolarHBondContact O-N 3.48Å
68P33.1Very low31.9Very low128 Ų128149.6 Ų149.683%0.83178%0.781SS**  trans-7599.3166.6-6.123.4000108Q66Q66-P68 WeakPolarHBondContact O-CD 3.09Å
69N28.9Very low31Very low139 Ų139144.2 Ų144.274%0.74377%0.768SS**  trans-78.8121.1162.3-178.6-8.8000108.3L67L67-N69 PolarHBondContact O-N 3.48Å
70K26.9Very low30.8Very low147 Ų147148.7 Ų148.764%0.63978%0.775SS**  177.4102125.6-169.3158.9-175.1148.70111.7E72K70-E72 WeakPolarHBondContact CE-OE1 3.06Å; K70-E72 IonicContact NZ-OE1 3.83Å; K70-E72 PolarHBondContact NZ-OE1 3.4Å
71R29.9Very low30.7Very low245 Ų245147.3 Ų147.393%0.92577%0.774SS**  -140.9120.3127.8-73.8-157.4-168.9169.85.4108.5
72E28.3Very low30.4Very low146 Ų146147.4 Ų147.468%0.68277%0.769SS**  trans-70.7127.1-178.9-68.5168.2177.200110.3K70K70-E72 WeakPolarHBondContact CE-OE1 3.06Å; K70-E72 IonicContact NZ-OE1 3.83Å; K70-E72 PolarHBondContact NZ-OE1 3.4Å
73F24.9Very low30.2Very low162 Ų162150.6 Ų150.671%0.71178%0.78SS**  trans36.8113.2130.1-159.2-97.1000119.4E75F73-E75 HydrophobicContact CD2-CB 4.48Å; F73-E75 HydrophobicContact CE1-CB 3.85Å; F73-E75 HydrophobicContact CE2-CB 3.71Å; F73-E75 HydrophobicContact CE2-CG 4.32Å; F73-E75 WeakPolarHBondContact CE2-OE2 3.19Å; F73-E75 HydrophobicContact CZ-CB 3.36Å; F73-E75 HydrophobicContact CZ-CG 4.14Å; F73-E75 WeakPolarHBondContact CZ-OE2 3.33Å
74S25.5Very low30Very low120 Ų120151 Ų15184%0.83977%0.774SS**  trans-138.7112.6132.1-172.40000107.3
75E31.5Very low29.9Very low155 Ų155152.6 Ų152.672%0.72478%0.779SS**  trans-78.2116.5177.5-168.3178.3121.800108.8F73F73-E75 HydrophobicContact CD2-CB 4.48Å; F73-E75 HydrophobicContact CE1-CB 3.85Å; F73-E75 HydrophobicContact CE2-CB 3.71Å; F73-E75 HydrophobicContact CE2-CG 4.32Å; F73-E75 WeakPolarHBondContact CE2-OE2 3.19Å; F73-E75 HydrophobicContact CZ-CB 3.36Å; F73-E75 HydrophobicContact CZ-CG 4.14Å; F73-E75 WeakPolarHBondContact CZ-OE2 3.33Å
76E24.9Very low29.5Very low193 Ų193148.9 Ų148.990%0.90277%0.769SS**  trans-147.1118.6154.8-162.7178.6141.500108.4
77N27.1Very low29.4Very low142 Ų142145.7 Ų145.776%0.75977%0.773SS**  trans-121.4154.5168.5-165.320.3000104.5
78P40.1Very low29.2Very low107 Ų107144.3 Ų144.370%0.69578%0.776SS**  cis-133.4-179.57.428.6-4.5000114.4
79A25.9Very low29Very low70 Ų70141.6 Ų141.658%0.57977%0.771SS**  trans134118.3131.800000114
80Q33.9Very low28.8Very low171 Ų171143.6 Ų143.680%0.79978%0.776SS**  trans66113.7143.1-5.8-161.61.400116.4
81N30.8Very low28.8Very low162 Ų162143.6 Ų143.687%0.86678%0.783SS**  -174.8106.5113.1-94-66.1000109.8
82L32.6Very low28.7Very low144 Ų144143.3 Ų143.375%0.75478%0.782SS**  trans-91.1119.3173.6-166165.6000105.9K84L82-K84 HydrophobicContact CD2-CG 4.41Å; L82-K84 PolarHBondContact O-N 2.98Å
83P32Very low29Very low117 Ų117144.4 Ų144.476%0.7679%0.792SS**  trans-72.298168.9-16.731.3000108.8V85P83-V85 PolarHBondContact O-N 3.49Å
84K27.1Very low29Very low176 Ų176148 Ų14877%0.76580%0.8SS**  trans-60.2124.1156.6-83.1177.8174.1-179.90107.5L82L82-K84 HydrophobicContact CD2-CG 4.41Å; L82-K84 PolarHBondContact O-N 2.98Å
85V28.9Very low28.9Very low136 Ų136145.6 Ų145.682%0.82480%0.795SS**  trans-122.3120157.4177.10000105.4P83P83-V85 PolarHBondContact O-N 3.49Å
86D24.7Very low28.7Very low141 Ų141141.2 Ų141.275%0.75479%0.791SS**  trans-69.6142.8-163.5-63.1-62.5000113.3
87A28.9Very low28.9Very low107 Ų107141.3 Ų141.388%0.88479%0.792SS**  trans-74.2123.3164.500000109.3
88S27.7Very low29.4Very low123 Ų123140.7 Ų140.786%0.8679%0.794SS**  trans-115.7117.2156.9-174.70000106.7
89G27.6Very low29.2Very low71 Ų71140.9 Ų140.973%0.73280%0.795SS**  trans-75.8143.1-175.400000112.6
90E26.4Very low29.3Very low180 Ų180143.4 Ų143.484%0.84180%0.803SS**  trans-146.1123.9145.5-171.3124.7107.300108.7
91D26.6Very low29.5Very low148 Ų148143.2 Ų143.279%0.79180%0.802SS**  trans-68130.2178.2-52.9-57.4000110.9
92R26.7Very low29.5Very low238 Ų238143.7 Ų143.790%0.89880%0.799SS**  trans-148.1106.2143.3-70.5-155.7174.6-169.2-2.2112.5
93L34.8Very low29.6Very low169 Ų169144.9 Ų144.989%0.88581%0.805SS**  trans-50.1132.8156.1-72.7143000111.2
94W25.8Very low30.4Very low237 Ų237149.7 Ų149.790%0.89881%0.808SS**  trans-140.191.9151.7-164.7-93.6000110.3
95G24Very low30.7Very low71 Ų71150.7 Ų150.773%0.73281%0.813SS**  trans-81.8145.1153.500000109.5
96G26.2Very low31.3Very low62 Ų62148.9 Ų148.964%0.63981%0.806SS**  trans152.992.5165.500000115.3
97Q28.7Very low32.6Very low195 Ų195151.8 Ų151.891%0.91181%0.812SS**  trans32.5136.8146.9-81.1170.231.400123
98T38.8Very low33.2Very low130 Ų130155 Ų15580%0.79881%0.806SS**  trans-61.8157.916449.50000112.9
99P35.9Very low34.1Very low111 Ų111157.9 Ų157.972%0.72181%0.806SS**  -142.2139.410925.9-6.1000114.6
100T27.2Very low35.4Very low122 Ų122158.4 Ų158.475%0.74880%0.798SS**  trans66.8112.8132.8-38.30000119.7
101E38.7Very low37.3Very low167 Ų167156.7 Ų156.778%0.7880%0.8SS**  24141.2128.4-56.5-88.912300118.5
102E30.5Very low39.3Very low172 Ų172154 Ų15480%0.80478%0.784SS**  trans102.842.5164.2-55.6-69.1161.900118.4
103L33.8Very low41.9Very low169 Ų169145.3 Ų145.389%0.88576%0.759SS**  trans-142.527.4163.6-147.593.9000116.1K105L103-K105 PolarHBondContact O-N 2.94Å
104W48.9Very low44Very low218 Ų218144.4 Ų144.483%0.82674%0.744SS**  trans-83.948.9-178.5-128.3-28.8000113.6D124W104-D124 HydrophobicContact CH2-CB 3.78Å; W104-D124 HydrophobicContact CZ2-CB 4.01Å
105K34Very low46.7Very low197 Ų197139.9 Ų139.986%0.85773%0.733SS**  trans-151.755-179.7-130179.5-170.8177.60113.2L103L103-K105 PolarHBondContact O-N 2.94Å
106S41.5Very low49.7Very low99 Ų99140.6 Ų140.669%0.69272%0.72SS**  trans-152.294.1155.8-88.20000110.3K108S106-K108 PolarHBondContact O-N 3.44Å
107K51.5Low52.5Low202 Ų202138.9 Ų138.988%0.87870%0.696SS**  trans-46.987.4156.7-175.9179-175.8-179.30108.9
108K42Very low55.4Low173 Ų173132.4 Ų132.475%0.75267%0.666SS**  trans-89.9119164.1-75.5-177.3179.5178.80106.2S106 S110S106-K108 PolarHBondContact O-N 3.44Å; K108-S110 PolarHBondContact O-N 2.78Å
109H46.9Very low57.8Low185 Ų185130.3 Ų130.386%0.85665%0.653SS**  trans-67.436.6168.2-130.6-95.6000111.3
110S54.7Low60.4Low82 Ų82128.1 Ų128.157%0.57364%0.635SS**  trans-78.1123.2171.3170.20000105.7K108 M112K108-S110 PolarHBondContact O-N 2.78Å; S110-M112 VanDerWaalsContact C-N 3.3Å; S110-M112 PolarHBondContact O-N 3.45Å
111V65.9Low63.4Low144 Ų144122.3 Ų122.387%0.87360%0.599SS**  trans-58.899.5171.3178.70000106.6
112M68.6Low65.9Low92 Ų92116.3 Ų116.345%0.45358%0.575SS.*  trans-65.7144.9179.1-69.7-169.16600109.6S110 D116 L120S110-M112 VanDerWaalsContact C-N 3.3Å; S110-M112 PolarHBondContact O-N 3.45Å; M112-D116 HydrophobicContact CE-CB 3.88Å; M112-L120 HydrophobicContact CE-CD1 3.29Å; M112-L120 HydrophobicContact SD-CD1 4.23Å
113S80.7Confident68.8Low55 Ų55111.3 Ų111.339%0.38556%0.556SS.*  trans-61.4145.6170.2179.70000109.7Q115 D116 L117S113-Q115 PolarHBondContact O-N 3.26Å; S113-Q115 PolarHBondContact OG-N 3.47Å; S113-D116 VanDerWaalsContact CB-OD2 3.27Å; S113-D116 WeakPolarHBondContact CB-OD2 3.37Å; S113-D116 PolarHBondContact O-N 2.93Å; S113-D116 VanDerWaalsContact O-N 3.14Å; S113-L117 PolarHBondContact O-N 3.43Å
114R79.8Confident71.3Confident150 Ų150106.9 Ų106.957%0.56653%0.533SS*.Hα-helixtrans-59.4-32.7175.9-61.5-176.881.7170.18.2111.6Q118 L134R114-Q118 WeakPolarHBondContact O-CB 3.13Å; R114-Q118 PolarHBondContact O-N 3.39Å; R114-L134 HydrophobicContact CG-CD2 4.25Å
115Q82.8Confident73.2Confident142 Ų14297.2 Ų97.266%0.66450%0.501SS*.Hα-helixtrans-69.4-40.1177.3-71.6173-17.600112S113 Q118 T119S113-Q115 PolarHBondContact O-N 3.26Å; S113-Q115 PolarHBondContact OG-N 3.47Å; Q115-Q118 PolarHBondContact O-N 3.19Å; Q115-T119 PolarHBondContact O-N 2.99Å; Q115-T119 PolarHBondContact O-OG1 3.42Å
116D86.4Confident75.7Confident86 Ų8688.1 Ų88.146%0.4646%0.463SS..Hα-helixtrans-65.9-42.2177.5-58.8-22.6000110.4M112 S113 T119 L120M112-D116 HydrophobicContact CE-CB 3.88Å; S113-D116 VanDerWaalsContact CB-OD2 3.27Å; S113-D116 WeakPolarHBondContact CB-OD2 3.37Å; S113-D116 PolarHBondContact O-N 2.93Å; S113-D116 VanDerWaalsContact O-N 3.14Å; D116-T119 PolarHBondContact O-N 3.36Å; D116-L120 WeakPolarHBondContact O-CG 3.4Å; D116-L120 PolarHBondContact O-N 3.47Å
117L86.3Confident77.9Confident25 Ų2584.5 Ų84.513%0.13144%0.437CS..Hα-helixtrans-65.8-40.6176.8-171.166.9000111.9S113 T119 L120 C121 L134S113-L117 PolarHBondContact O-N 3.43Å; L117-T119 VanDerWaalsContact C-N 3.3Å; L117-T119 PolarHBondContact O-N 2.9Å; L117-L120 PolarHBondContact O-N 2.87Å; L117-C121 WeakPolarHBondContact O-CB 3.42Å; L117-C121 PolarHBondContact O-N 3.46Å; L117-C121 PolarHBondContact O-SG 2.91Å; L117-L134 HydrophobicContact CD2-CD1 3.86Å; L117-L134 HydrophobicContact CD2-CD2 3.75Å; L117-L134 HydrophobicContact CD2-CG 3.92Å
118Q88.8Confident79.4Confident59 Ų5980 Ų8028%0.27642%0.421SS..Hα-helixtrans-59.2-42.1174.2-178.7178.110.700111.9Y33 R114 Q115 C122Y33-Q118 HydrophobicContact CD1-CB 4.07Å; Y33-Q118 HydrophobicContact CD1-CG 3.68Å; Y33-Q118 HydrophobicContact CD2-CG 4.47Å; Y33-Q118 HydrophobicContact CE1-CB 3.79Å; Y33-Q118 HydrophobicContact CE1-CG 3.94Å; Y33-Q118 HydrophobicContact CE2-CB 4.37Å; Y33-Q118 HydrophobicContact CG-CB 4.48Å; Y33-Q118 HydrophobicContact CG-CG 3.97Å; R114-Q118 WeakPolarHBondContact O-CB 3.13Å; R114-Q118 PolarHBondContact O-N 3.39Å; Q115-Q118 PolarHBondContact O-N 3.19Å; Q118-C122 PolarHBondContact O-N 3.03Å
119T90.1Very high81.3Confident86 Ų8676.6 Ų76.653%0.52841%0.414SS..Hα-helixtrans-64.1-47178.2-54.40000110.7Q115 D116 L117 C122 T123Q115-T119 PolarHBondContact O-N 2.99Å; Q115-T119 PolarHBondContact O-OG1 3.42Å; D116-T119 PolarHBondContact O-N 3.36Å; L117-T119 VanDerWaalsContact C-N 3.3Å; L117-T119 PolarHBondContact O-N 2.9Å; T119-C122 WeakPolarHBondContact O-CB 3.38Å; T119-C122 PolarHBondContact O-N 3.01Å; T119-C122 VanDerWaalsContact O-N 3.13Å; T119-T123 PolarHBondContact O-N 3.46Å; T119-T123 PolarHBondContact O-OG1 3.44Å
120L89.9Confident83.1Confident66 Ų6671.2 Ų71.235%0.34639%0.392SS..Hα-helixtrans-62.7-43.4177.5-73.9169.9000113.2M112 D116 L117 C122 T123 D124 G125M112-L120 HydrophobicContact CE-CD1 3.29Å; M112-L120 HydrophobicContact SD-CD1 4.23Å; D116-L120 WeakPolarHBondContact O-CG 3.4Å; D116-L120 PolarHBondContact O-N 3.47Å; L117-L120 PolarHBondContact O-N 2.87Å; L120-C122 PolarHBondContact O-N 3.29Å; L120-C122 VanDerWaalsContact O-N 3.17Å; L120-T123 WeakPolarHBondContact CA-OG1 3.47Å; L120-T123 PolarHBondContact O-N 3.24Å; L120-T123 PolarHBondContact O-OG1 2.97Å; L120-D124 PolarHBondContact O-N 3.4Å; L120-G125 PolarHBondContact O-N 3.25Å
121C90.1Very high84.6Confident0 Ų067.3 Ų67.30%037%0.365CS..Hα-helixtrans-64-21.7176.9-61.90000112.7R27 L28 Y33 L117 G125 C126R27-C121 VanDerWaalsContact CA-O 3.31Å; R27-C121 WeakPolarHBondContact CA-O 3.24Å; L28-C121 PolarHBondContact N-O 2.96Å; L28-C121 CarbonylContact O-C 3.52Å; Y33-C121 HydrophobicContact CD2-CB 4.2Å; Y33-C121 HydrophobicContact CE2-CB 4.32Å; L117-C121 WeakPolarHBondContact O-CB 3.42Å; L117-C121 PolarHBondContact O-N 3.46Å; L117-C121 PolarHBondContact O-SG 2.91Å; C121-G125 WeakPolarHBondContact O-CA 3.28Å; C121-G125 PolarHBondContact O-N 3.33Å; C121-C126 WeakPolarHBondContact CA-SG 3.43Å; C121-C126 HydrophobicContact CB-CB 3.71Å; C121-C126 WeakPolarHBondContact CB-SG 3.25Å; C121-C126 WeakPolarHBondContact SG-CB 3.47Å; C121-C126 CovalentContact SG-SG 2.02Å; C121-C126 PolarHBondContact SG-SG 3.15Å
122C90.9Very high85.4Confident40 Ų4063.2 Ų63.227%0.2734%0.342SS..Hα-helixtrans-85.5-40.7175.6-173.30000112R27 L28 C29 Q118 T119 L120R27-C122 PolarHBondContact NE-O 3.47Å; R27-C122 PolarHBondContact NH2-O 3.26Å; L28-C122 PolarHBondContact O-N 3.42Å; C29-C122 HydrophobicContact CB-CB 3.95Å; C29-C122 WeakPolarHBondContact CB-SG 3.4Å; C29-C122 WeakPolarHBondContact SG-CA 3.44Å; C29-C122 WeakPolarHBondContact SG-CB 3.43Å; C29-C122 CovalentContact SG-SG 2.03Å; C29-C122 PolarHBondContact SG-SG 3.03Å; Q118-C122 PolarHBondContact O-N 3.03Å; T119-C122 WeakPolarHBondContact O-CB 3.38Å; T119-C122 PolarHBondContact O-N 3.01Å; T119-C122 VanDerWaalsContact O-N 3.13Å; L120-C122 PolarHBondContact O-N 3.29Å; L120-C122 VanDerWaalsContact O-N 3.17Å
123T90.8Very high86.2Confident67 Ų6763 Ų6341%0.41136%0.356SS..Hα-helixtrans-74.8-54.8179.9520000112.2R27 T119 L120R27-T123 PolarHBondContact NE-O 2.77Å; R27-T123 PolarHBondContact NH2-O 3.34Å; T119-T123 PolarHBondContact O-N 3.46Å; T119-T123 PolarHBondContact O-OG1 3.44Å; L120-T123 WeakPolarHBondContact CA-OG1 3.47Å; L120-T123 PolarHBondContact O-N 3.24Å; L120-T123 PolarHBondContact O-OG1 2.97Å
124D87.4Confident86.3Confident76 Ų7662.4 Ų62.441%0.40635%0.348SS..THydrogen-bonded Turntrans-109.3-17-166.6-56.3-54.8000112.2W104 L120W104-D124 HydrophobicContact CH2-CB 3.78Å; W104-D124 HydrophobicContact CZ2-CB 4.01Å; L120-D124 PolarHBondContact O-N 3.4Å
125G87.7Confident86.5Confident15 Ų1558.6 Ų58.616%0.15534%0.343CS..  trans84.7156.1-17500000111.9V26 L120 C121V26-G125 WeakPolarHBondContact O-CA 3.5Å; L120-G125 PolarHBondContact O-N 3.25Å; C121-G125 WeakPolarHBondContact O-CA 3.28Å; C121-G125 PolarHBondContact O-N 3.33Å
126C87.8Confident86.7Confident6 Ų654.4 Ų54.44%0.04133%0.327CS..BIsolated β-bridgetrans-129.5150.9-178.6-76.70000111.3S25 V26 C121 D130S25-C126 WeakPolarHBondContact CA-O 3.26Å; V26-C126 PolarHBondContact N-O 2.93Å; V26-C126 PolarHBondContact O-N 3.32Å; C121-C126 WeakPolarHBondContact CA-SG 3.43Å; C121-C126 HydrophobicContact CB-CB 3.71Å; C121-C126 WeakPolarHBondContact CB-SG 3.25Å; C121-C126 WeakPolarHBondContact SG-CB 3.47Å; C121-C126 CovalentContact SG-SG 2.02Å; C121-C126 PolarHBondContact SG-SG 3.15Å; C126-D130 HydrophobicContact CB-CB 4.24Å
127S86.9Confident86.7Confident23 Ų2352.7 Ų52.716%0.16132%0.32CS..  trans-83.9161.8171.868.90000111.1T129 D130 L131S127-T129 PolarHBondContact O-N 3.24Å; S127-T129 PolarHBondContact OG-N 3.13Å; S127-T129 PolarHBondContact OG-OG1 3.43Å; S127-D130 WeakPolarHBondContact CB-OD2 3.5Å; S127-D130 PolarHBondContact N-OD2 3.01Å; S127-D130 PolarHBondContact O-N 3.08Å; S127-D130 VanDerWaalsContact O-N 3.09Å; S127-D130 PolarHBondContact OG-N 2.97Å; S127-D130 PolarHBondContact OG-OD2 3.24Å; S127-L131 PolarHBondContact O-N 2.91Å
128M82.2Confident86.8Confident109 Ų10954.3 Ų54.354%0.53733%0.331SS..Hα-helixtrans-56.4-29171.5-80.8-82.4149.200112.8T36 I40 S132T36-M128 HydrophobicContact CG2-CE 4.46Å; I40-M128 HydrophobicContact CD1-CE 4.02Å; I40-M128 HydrophobicContact CD1-SD 3.71Å; I40-M128 HydrophobicContact CG1-SD 4.37Å; M128-S132 WeakPolarHBondContact O-CB 3.45Å; M128-S132 PolarHBondContact O-N 3.1Å; M128-S132 PolarHBondContact O-OG 2.86Å
129T82.4Confident86.6Confident100 Ų10054 Ų5461%0.61333%0.334SS*.Hα-helixtrans-70-37.3176.343.30000112.5S127 S132 A133S127-T129 PolarHBondContact O-N 3.24Å; S127-T129 PolarHBondContact OG-N 3.13Å; S127-T129 PolarHBondContact OG-OG1 3.43Å; T129-S132 WeakPolarHBondContact CA-OG 3.28Å; T129-S132 PolarHBondContact O-N 3.48Å; T129-S132 PolarHBondContact O-OG 3.39Å; T129-S132 VanDerWaalsContact O-OG 3.09Å; T129-A133 PolarHBondContact O-N 3.36Å
130D85.7Confident86.4Confident72 Ų7252 Ų5239%0.38532%0.322SS..Hα-helixtrans-69.6-38.9178.6-53.6-44.8000111C126 S127C126-D130 HydrophobicContact CB-CB 4.24Å; S127-D130 WeakPolarHBondContact CB-OD2 3.5Å; S127-D130 PolarHBondContact N-OD2 3.01Å; S127-D130 PolarHBondContact O-N 3.08Å; S127-D130 VanDerWaalsContact O-N 3.09Å; S127-D130 PolarHBondContact OG-N 2.97Å; S127-D130 PolarHBondContact OG-OD2 3.24Å
131L85.8Confident86.2Confident0 Ų051.1 Ų51.10%032%0.32CS..Hα-helixtrans-68.2-38.3176.5-71.4150.4000112.5L28 Y33 T36 V37 I40 S127 A133 L134L28-L131 HydrophobicContact CD1-CD1 3.88Å; L28-L131 HydrophobicContact CD1-CD2 4.15Å; Y33-L131 HydrophobicContact CD2-CD2 4.16Å; Y33-L131 HydrophobicContact CE2-CD2 3.95Å; T36-L131 HydrophobicContact CG2-CD1 4.27Å; T36-L131 HydrophobicContact CG2-CD2 4.45Å; V37-L131 HydrophobicContact CG2-CD2 3.63Å; I40-L131 HydrophobicContact CD1-CB 3.67Å; I40-L131 HydrophobicContact CD1-CD1 4.2Å; I40-L131 HydrophobicContact CD1-CG 4.43Å; S127-L131 PolarHBondContact O-N 2.91Å; L131-A133 VanDerWaalsContact C-N 3.35Å; L131-L134 WeakPolarHBondContact O-CB 3.2Å; L131-L134 PolarHBondContact O-N 3.44Å
132S83.3Confident85.9Confident58 Ų5854.7 Ų54.741%0.40634%0.343SS..Hα-helixtrans-75.7-20.7-17957.90000113.8M128 T129 L134 C135M128-S132 WeakPolarHBondContact O-CB 3.45Å; M128-S132 PolarHBondContact O-N 3.1Å; M128-S132 PolarHBondContact O-OG 2.86Å; T129-S132 WeakPolarHBondContact CA-OG 3.28Å; T129-S132 PolarHBondContact O-N 3.48Å; T129-S132 PolarHBondContact O-OG 3.39Å; T129-S132 VanDerWaalsContact O-OG 3.09Å; S132-L134 PolarHBondContact O-N 3.3Å; S132-L134 VanDerWaalsContact O-N 3.07Å; S132-C135 PolarHBondContact O-N 2.9Å
133A84.1Confident85.5Confident88 Ų8855.8 Ų55.873%0.72735%0.349SS*.THydrogen-bonded Turntrans-62.6-11173.100000114T129 L131T129-A133 PolarHBondContact O-N 3.36Å; L131-A133 VanDerWaalsContact C-N 3.35Å
134L83.1Confident85.1Confident43 Ų4354.9 Ų54.923%0.22534%0.344CS..THydrogen-bonded Turntrans-84-5.7-178.2-66.4170.2000115.7Y33 V37 R114 L117 L131 S132Y33-L134 VanDerWaalsContact OH-CD1 3.31Å; Y33-L134 WeakPolarHBondContact OH-CD1 3.4Å; V37-L134 HydrophobicContact CG1-CD1 3.96Å; V37-L134 HydrophobicContact CG2-CD1 3.81Å; R114-L134 HydrophobicContact CG-CD2 4.25Å; L117-L134 HydrophobicContact CD2-CD1 3.86Å; L117-L134 HydrophobicContact CD2-CD2 3.75Å; L117-L134 HydrophobicContact CD2-CG 3.92Å; L131-L134 WeakPolarHBondContact O-CB 3.2Å; L131-L134 PolarHBondContact O-N 3.44Å; S132-L134 PolarHBondContact O-N 3.3Å; S132-L134 VanDerWaalsContact O-N 3.07Å
135C84.4Confident84.9Confident69 Ų6953 Ų5347%0.46634%0.338SS..  trans-113.20-155.5-53.80000120.2C41 S44 R48 S132C41-C135 WeakPolarHBondContact CA-SG 3.12Å; C41-C135 HydrophobicContact CB-CB 3.66Å; C41-C135 WeakPolarHBondContact CB-SG 3.03Å; C41-C135 WeakPolarHBondContact SG-CB 3.41Å; C41-C135 CovalentContact SG-SG 2.03Å; C41-C135 PolarHBondContact SG-SG 2.72Å; S44-C135 WeakPolarHBondContact OG-CB 3.03Å; R48-C135 PolarHBondContact NH2-O 3.06Å; S132-C135 PolarHBondContact O-N 2.9Å

Retrieved 135 of 135 residues in 40.5 ms (Link to these results)

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