A0A087WUU4_HUMAN Loading...

C-C motif chemokine ligand 16

AlphaFold DB , UniProt , Accession A0A087WUU4, Species HUMAN (Homo sapiens, Human), Gene CCL16, Length 53 aa.

>A0A087WUU4_HUMAN|A0A087WUU4|CCL16
MKVSEAALSLLVLILIITSASRSQPSWSAVSRSRLTTTSASRVQVILLPQPPE
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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
1M58.8Low82.7Confident217 Ų217111.6 Ų111.6100%1.06962%0.622SS**  0-31.70-64.1170.780.200113.9V3M1-V3 PolarHBondContact O-N 3.32Å
2K63.1Low83.4Confident188 Ų188109.1 Ų109.182%0.81761%0.611SS**Hα-helixtrans-73.5-23.6-174.8-139.9136.278.6167.70116.1S4 A6K2-S4 VanDerWaalsContact C-N 3.34Å; K2-A6 PolarHBondContact O-N 3.14Å
3V70.8Confident83.9Confident125 Ų125108.2 Ų108.276%0.75860%0.603SS**Hα-helixtrans-71.7-29.4178.184.70000112.5M1 A7M1-V3 PolarHBondContact O-N 3.32Å; V3-A7 WeakPolarHBondContact O-CB 3.39Å; V3-A7 PolarHBondContact O-N 3.41Å
4S83.3Confident84.4Confident62 Ų62106.6 Ų106.643%0.43459%0.592SS.*Hα-helixtrans-64.7-46.7176.4178.10000110.9K2 A6 A7 L8K2-S4 VanDerWaalsContact C-N 3.34Å; S4-A6 PolarHBondContact O-N 3.27Å; S4-A7 PolarHBondContact O-N 2.95Å; S4-L8 WeakPolarHBondContact O-CG 3.46Å; S4-L8 PolarHBondContact O-N 2.96Å
5E86.4Confident84.7Confident129 Ų129106.5 Ų106.560%0.60359%0.589SS**Hα-helixtrans-60.9-44178.9-60.6-6495.100111.7A7 L8 S9E5-A7 PolarHBondContact O-N 3.37Å; E5-L8 PolarHBondContact O-N 3.44Å; E5-S9 VanDerWaalsContact O-CB 3.3Å; E5-S9 WeakPolarHBondContact O-CB 3.38Å; E5-S9 PolarHBondContact O-N 3.26Å
6A89.1Confident84.7Confident62 Ų62106.4 Ų106.451%0.51259%0.586SS.*Hα-helixtrans-64.9-39176.700000112K2 S4 S9 L10K2-A6 PolarHBondContact O-N 3.14Å; S4-A6 PolarHBondContact O-N 3.27Å; A6-S9 PolarHBondContact O-N 2.81Å; A6-L10 WeakPolarHBondContact O-CB 3.02Å; A6-L10 PolarHBondContact O-N 3.29Å
7A90.9Very high84.6Confident57 Ų57105.8 Ų105.847%0.47158%0.58SS.*Hα-helixtrans-66.5-42.5176.400000112.1V3 S4 E5 L10 L11V3-A7 WeakPolarHBondContact O-CB 3.39Å; V3-A7 PolarHBondContact O-N 3.41Å; S4-A7 PolarHBondContact O-N 2.95Å; E5-A7 PolarHBondContact O-N 3.37Å; A7-L10 PolarHBondContact O-N 2.82Å; A7-L11 WeakPolarHBondContact O-CB 3.44Å; A7-L11 PolarHBondContact O-N 3.21Å
8L91.7Very high84.6Confident94 Ų94102.8 Ų102.849%0.49257%0.566SS.*Hα-helixtrans-63.1-44173.8-69.1174.1000111.1S4 E5 L10 L11 V12S4-L8 WeakPolarHBondContact O-CG 3.46Å; S4-L8 PolarHBondContact O-N 2.96Å; E5-L8 PolarHBondContact O-N 3.44Å; L8-L10 VanDerWaalsContact C-N 3.33Å; L8-L10 PolarHBondContact O-N 3.39Å; L8-L11 PolarHBondContact O-N 3.29Å; L8-V12 VanDerWaalsContact O-CG2 3.29Å; L8-V12 WeakPolarHBondContact O-CG2 3.12Å; L8-V12 PolarHBondContact O-N 3.07Å
9S90.3Very high84.3Confident83 Ų83101.1 Ų101.158%0.5856%0.562SS**Hα-helixtrans-63.1-39.7177.7-160.60000111.9E5 A6 L13E5-S9 VanDerWaalsContact O-CB 3.3Å; E5-S9 WeakPolarHBondContact O-CB 3.38Å; E5-S9 PolarHBondContact O-N 3.26Å; A6-S9 PolarHBondContact O-N 2.81Å; S9-L13 WeakPolarHBondContact O-CB 3.39Å; S9-L13 PolarHBondContact O-N 2.57Å
10L92.4Very high83.7Confident106 Ų10698.1 Ų98.156%0.55555%0.551SS**Hα-helixtrans-66.4-43.2175.2-172.570.4000111.2A6 A7 L8 L13 I14A6-L10 WeakPolarHBondContact O-CB 3.02Å; A6-L10 PolarHBondContact O-N 3.29Å; A7-L10 PolarHBondContact O-N 2.82Å; L8-L10 VanDerWaalsContact C-N 3.33Å; L8-L10 PolarHBondContact O-N 3.39Å; L10-L13 PolarHBondContact O-N 3.16Å; L10-I14 HydrophobicContact CG-CD1 4.01Å; L10-I14 VanDerWaalsContact O-CG1 3.27Å; L10-I14 WeakPolarHBondContact O-CG1 3.41Å; L10-I14 PolarHBondContact O-N 2.99Å
11L93Very high83Confident105 Ų10596.7 Ų96.755%0.5555%0.547SS..Hα-helixtrans-61.2-46.3178.1-165.883.2000111.5A7 L8 I14 L15A7-L11 WeakPolarHBondContact O-CB 3.44Å; A7-L11 PolarHBondContact O-N 3.21Å; L8-L11 PolarHBondContact O-N 3.29Å; L11-I14 PolarHBondContact O-N 2.94Å; L11-L15 WeakPolarHBondContact O-CG 3.44Å; L11-L15 PolarHBondContact O-N 3.06Å
12V91.1Very high83.3Confident81 Ų8195.7 Ų95.749%0.49153%0.532SS..Hα-helixtrans-62-44177.2171.30000110.9L8 I14 L15 I16L8-V12 VanDerWaalsContact O-CG2 3.29Å; L8-V12 WeakPolarHBondContact O-CG2 3.12Å; L8-V12 PolarHBondContact O-N 3.07Å; V12-I14 PolarHBondContact O-N 2.97Å; V12-L15 PolarHBondContact O-N 3.44Å; V12-I16 HydrophobicContact CG1-CD1 4.06Å; V12-I16 WeakPolarHBondContact O-CG1 3.09Å; V12-I16 PolarHBondContact O-N 2.75Å
13L90Very high83.4Confident97 Ų9790.8 Ų90.851%0.50852%0.521SS..Hα-helixtrans-60.9-44.1177.9-176.263.4000111.9S9 L10 L15 I16 I17S9-L13 WeakPolarHBondContact O-CB 3.39Å; S9-L13 PolarHBondContact O-N 2.57Å; L10-L13 PolarHBondContact O-N 3.16Å; L13-L15 VanDerWaalsContact C-N 3.34Å; L13-L15 PolarHBondContact O-N 3.14Å; L13-I16 PolarHBondContact O-N 2.68Å; L13-I17 HydrophobicContact CD1-CD1 4.19Å; L13-I17 HydrophobicContact CG-CD1 4.04Å; L13-I17 WeakPolarHBondContact O-CG1 3.38Å; L13-I17 PolarHBondContact O-N 3.15Å; L13-I17 VanDerWaalsContact O-N 3.12Å
14I90.4Very high83.1Confident87 Ų8788 Ų8845%0.44650%0.5SS..Hα-helixtrans-63.2-40.3177.5-68.3166.9000111.1L10 L11 V12 I17 T18L10-I14 HydrophobicContact CG-CD1 4.01Å; L10-I14 VanDerWaalsContact O-CG1 3.27Å; L10-I14 WeakPolarHBondContact O-CG1 3.41Å; L10-I14 PolarHBondContact O-N 2.99Å; L11-I14 PolarHBondContact O-N 2.94Å; V12-I14 PolarHBondContact O-N 2.97Å; I14-I17 PolarHBondContact O-N 2.92Å; I14-T18 VanDerWaalsContact O-CB 3.28Å; I14-T18 WeakPolarHBondContact O-CB 3.43Å; I14-T18 PolarHBondContact O-N 3.4Å; I14-T18 PolarHBondContact O-OG1 2.89Å
15L89.1Confident81.7Confident105 Ų10590.5 Ų90.555%0.5551%0.514SS..Hα-helixtrans-64.3-41.3177.4-73.7175.2000112.4L11 V12 L13 S19L11-L15 WeakPolarHBondContact O-CG 3.44Å; L11-L15 PolarHBondContact O-N 3.06Å; V12-L15 PolarHBondContact O-N 3.44Å; L13-L15 VanDerWaalsContact C-N 3.34Å; L13-L15 PolarHBondContact O-N 3.14Å; L15-S19 VanDerWaalsContact O-CB 3.23Å; L15-S19 WeakPolarHBondContact O-CB 3.06Å; L15-S19 PolarHBondContact O-N 2.92Å; L15-S19 PolarHBondContact O-OG 3.33Å
16I84.8Confident80.4Confident105 Ų10587 Ų8754%0.53850%0.504SS..Hα-helixtrans-64.8-45.8178.2-67.4174.9000110.8V12 L13 S19 A20V12-I16 HydrophobicContact CG1-CD1 4.06Å; V12-I16 WeakPolarHBondContact O-CG1 3.09Å; V12-I16 PolarHBondContact O-N 2.75Å; L13-I16 PolarHBondContact O-N 2.68Å; I16-S19 WeakPolarHBondContact CA-OG 3.49Å; I16-S19 PolarHBondContact O-OG 2.86Å; I16-A20 WeakPolarHBondContact O-CB 3.44Å; I16-A20 PolarHBondContact O-N 3.24Å; I16-A20 VanDerWaalsContact O-N 3.09Å
17I82.9Confident78.8Confident95 Ų9592.9 Ų92.949%0.48751%0.513SS..Hα-helixtrans-64.9-46.9179.2-64.3167000110.5L13 I14 S19 A20 S21L13-I17 HydrophobicContact CD1-CD1 4.19Å; L13-I17 HydrophobicContact CG-CD1 4.04Å; L13-I17 WeakPolarHBondContact O-CG1 3.38Å; L13-I17 PolarHBondContact O-N 3.15Å; L13-I17 VanDerWaalsContact O-N 3.12Å; I14-I17 PolarHBondContact O-N 2.92Å; I17-S19 PolarHBondContact O-N 2.97Å; I17-A20 PolarHBondContact O-N 3.19Å; I17-S21 WeakPolarHBondContact O-CB 2.87Å; I17-S21 PolarHBondContact O-N 3.43Å; I17-S21 PolarHBondContact O-OG 3.43Å; I17-S21 VanDerWaalsContact O-OG 3.11Å
18T84.3Confident77.1Confident53 Ų5392.8 Ų92.833%0.32551%0.509SS..Hα-helixtrans-69.5-34.5-176.3-500000112.5I14 R22I14-T18 VanDerWaalsContact O-CB 3.28Å; I14-T18 WeakPolarHBondContact O-CB 3.43Å; I14-T18 PolarHBondContact O-N 3.4Å; I14-T18 PolarHBondContact O-OG1 2.89Å; T18-R22 WeakPolarHBondContact O-CB 3.39Å; T18-R22 PolarHBondContact O-N 2.81Å
19S80.1Confident75.4Confident69 Ų6990.9 Ų90.948%0.48351%0.507SS..Hα-helixtrans-69-40.4174.656.60000111.9L15 I16 I17L15-S19 VanDerWaalsContact O-CB 3.23Å; L15-S19 WeakPolarHBondContact O-CB 3.06Å; L15-S19 PolarHBondContact O-N 2.92Å; L15-S19 PolarHBondContact O-OG 3.33Å; I16-S19 WeakPolarHBondContact CA-OG 3.49Å; I16-S19 PolarHBondContact O-OG 2.86Å; I17-S19 PolarHBondContact O-N 2.97Å
20A72.8Confident73.8Confident42 Ų4291.5 Ų91.535%0.34751%0.507SS..Hα-helixtrans-62-42.6172.400000111.9I16 I17 S23 Q24I16-A20 WeakPolarHBondContact O-CB 3.44Å; I16-A20 PolarHBondContact O-N 3.24Å; I16-A20 VanDerWaalsContact O-N 3.09Å; I17-A20 PolarHBondContact O-N 3.19Å; A20-S23 PolarHBondContact O-N 3.26Å; A20-Q24 WeakPolarHBondContact O-CG 3.14Å; A20-Q24 PolarHBondContact O-N 3.06Å; A20-Q24 PolarHBondContact O-OE1 3.47Å
21S68.3Low72Confident68 Ų6888.9 Ų88.948%0.47650%0.497SS..Hα-helixtrans-72.1-31.5-179.5-61.70000114.5I17 S23 Q24I17-S21 WeakPolarHBondContact O-CB 2.87Å; I17-S21 PolarHBondContact O-N 3.43Å; I17-S21 PolarHBondContact O-OG 3.43Å; I17-S21 VanDerWaalsContact O-OG 3.11Å; S21-S23 VanDerWaalsContact C-N 3.26Å; S21-S23 PolarHBondContact O-N 3.46Å; S21-Q24 VanDerWaalsContact CA-OE1 3.29Å; S21-Q24 PolarHBondContact O-N 3.36Å
22R65Low70.2Confident197 Ų19791.6 Ų91.674%0.74350%0.5SS*.Hα-helixtrans-70.6-20.2176.4-100.5-175.6-74.7-134.82.5114.1T18T18-R22 WeakPolarHBondContact O-CB 3.39Å; T18-R22 PolarHBondContact O-N 2.81Å
23S65.5Low68.5Low84 Ų8491.2 Ų91.259%0.58750%0.501SS*.THydrogen-bonded Turntrans-108.215.6177.4-58.90000113.2A20 S21 P25A20-S23 PolarHBondContact O-N 3.26Å; S21-S23 VanDerWaalsContact C-N 3.26Å; S21-S23 PolarHBondContact O-N 3.46Å; S23-P25 WeakPolarHBondContact O-CD 3.14Å
24Q64.1Low66.9Low67 Ų6795.2 Ų95.231%0.31351%0.51SS..THydrogen-bonded Turntrans-91.5101.7-177.8-95154.92.300112.6A20 S21 W27A20-Q24 WeakPolarHBondContact O-CG 3.14Å; A20-Q24 PolarHBondContact O-N 3.06Å; A20-Q24 PolarHBondContact O-OE1 3.47Å; S21-Q24 VanDerWaalsContact CA-OE1 3.29Å; S21-Q24 PolarHBondContact O-N 3.36Å; Q24-W27 HydrophobicContact CG-CB 3.98Å; Q24-W27 VanDerWaalsContact NE2-CB 3.35Å; Q24-W27 VanDerWaalsContact NE2-CD2 3.33Å
25P53.7Low65.3Low114 Ų11497 Ų9774%0.7452%0.519SS*.THydrogen-bonded Turn-102-3107.325.9-20.7000112.2S23 A29S23-P25 WeakPolarHBondContact O-CD 3.14Å; P25-A29 PolarHBondContact O-N 3.34Å
26S59.2Low63.7Low56 Ų5696.4 Ų96.439%0.39252%0.52SS..Hα-helixtrans-81.4-16.2-163.388.60000117.1S28 A29 V30S26-S28 VanDerWaalsContact C-N 3.28Å; S26-S28 PolarHBondContact O-N 3.12Å; S26-A29 PolarHBondContact O-N 3.46Å; S26-V30 WeakPolarHBondContact O-CG2 3.2Å; S26-V30 PolarHBondContact O-N 2.94Å
27W55.3Low62.3Low186 Ų18696.2 Ų96.271%0.70552%0.524SS*.Hα-helixtrans-68.5-35.1175.9-135.4-10.4000111.4Q24 S31Q24-W27 HydrophobicContact CG-CB 3.98Å; Q24-W27 VanDerWaalsContact NE2-CB 3.35Å; Q24-W27 VanDerWaalsContact NE2-CD2 3.33Å; W27-S31 WeakPolarHBondContact O-CB 3.33Å; W27-S31 PolarHBondContact O-N 3.11Å; W27-S31 PolarHBondContact O-OG 3.5Å
28S55.7Low61.1Low55 Ų5594.9 Ų94.939%0.38552%0.52SS..Hα-helixtrans-75-32.4172.2-1650000111.5S26 R32S26-S28 VanDerWaalsContact C-N 3.28Å; S26-S28 PolarHBondContact O-N 3.12Å; S28-R32 WeakPolarHBondContact O-CB 3.48Å; S28-R32 PolarHBondContact O-N 3.09Å; S28-R32 VanDerWaalsContact OG-CZ 3.29Å; S28-R32 PolarHBondContact OG-NE 2.94Å; S28-R32 PolarHBondContact OG-NH2 3.26Å
29A55.6Low59.7Low54 Ų5495.3 Ų95.345%0.44653%0.526SS..Hα-helixtrans-69.6-46.6178.600000112.6P25 S26 S33P25-A29 PolarHBondContact O-N 3.34Å; S26-A29 PolarHBondContact O-N 3.46Å; A29-S33 WeakPolarHBondContact O-CB 3.37Å; A29-S33 PolarHBondContact O-N 2.75Å
30V56.4Low58.6Low96 Ų9694.5 Ų94.558%0.58252%0.523SS*.Hα-helixtrans-74.4-33-179.7-178.20000111.4S26 R34S26-V30 WeakPolarHBondContact O-CG2 3.2Å; S26-V30 PolarHBondContact O-N 2.94Å; V30-R34 PolarHBondContact O-N 2.93Å; V30-R34 VanDerWaalsContact O-N 3.15Å
31S55.2Low58Low50 Ų5096.1 Ų96.135%0.3553%0.531SS..Hα-helixtrans-79.7-37.3178.4-48.70000113.1W27 L35W27-S31 WeakPolarHBondContact O-CB 3.33Å; W27-S31 PolarHBondContact O-N 3.11Å; W27-S31 PolarHBondContact O-OG 3.5Å; S31-L35 WeakPolarHBondContact O-CB 3.29Å; S31-L35 PolarHBondContact O-N 3.4Å; S31-L35 VanDerWaalsContact O-N 3.14Å
32R54.6Low57.5Low163 Ų163101.8 Ų101.862%0.61554%0.542SS*.Hα-helixtrans-66.2-42.2167.4-86.8-177.7-83.7179-7.5111.2S28 R34 L35 T36S28-R32 WeakPolarHBondContact O-CB 3.48Å; S28-R32 PolarHBondContact O-N 3.09Å; S28-R32 VanDerWaalsContact OG-CZ 3.29Å; S28-R32 PolarHBondContact OG-NE 2.94Å; S28-R32 PolarHBondContact OG-NH2 3.26Å; R32-R34 PolarHBondContact O-N 3Å; R32-L35 CarbonylContact O-C 3.53Å; R32-L35 PolarHBondContact O-N 3.44Å; R32-L35 VanDerWaalsContact O-N 3.16Å; R32-T36 WeakPolarHBondContact O-CB 3.49Å; R32-T36 PolarHBondContact O-N 3.39Å; R32-T36 PolarHBondContact O-OG1 3.42Å
33S55.8Low57.2Low72 Ų7295.6 Ų95.650%0.50353%0.526SS..Hα-helixtrans-64.3-39.2-176.8-164.10000112.2A29 T36 T37A29-S33 WeakPolarHBondContact O-CB 3.37Å; A29-S33 PolarHBondContact O-N 2.75Å; S33-T36 PolarHBondContact O-N 3.47Å; S33-T37 WeakPolarHBondContact O-CB 3.4Å; S33-T37 PolarHBondContact O-N 3.42Å; S33-T37 PolarHBondContact O-OG1 2.86Å; S33-T37 VanDerWaalsContact O-OG1 3.06Å
34R56.8Low56.9Low182 Ų18298.2 Ų98.269%0.68753%0.529SS*.Hα-helixtrans-69.6-38.9172.8-144.8171.986.8-118.26.4112.2V30 R32 T38V30-R34 PolarHBondContact O-N 2.93Å; V30-R34 VanDerWaalsContact O-N 3.15Å; R32-R34 PolarHBondContact O-N 3Å; R34-T38 WeakPolarHBondContact O-CB 3.5Å; R34-T38 PolarHBondContact O-N 3.41Å; R34-T38 PolarHBondContact O-OG1 2.88Å
35L56.9Low56.6Low125 Ų125100.4 Ų100.465%0.65455%0.547SS*.Hα-helixtrans-67.3-32.7174.9-83.5162.7000112.8S31 R32 S39S31-L35 WeakPolarHBondContact O-CB 3.29Å; S31-L35 PolarHBondContact O-N 3.4Å; S31-L35 VanDerWaalsContact O-N 3.14Å; R32-L35 CarbonylContact O-C 3.53Å; R32-L35 PolarHBondContact O-N 3.44Å; R32-L35 VanDerWaalsContact O-N 3.16Å; L35-S39 WeakPolarHBondContact O-CA 3.23Å; L35-S39 WeakPolarHBondContact O-CB 3.4Å; L35-S39 PolarHBondContact O-N 2.88Å
36T55.2Low57.1Low91 Ų91101.9 Ų101.956%0.55855%0.547SS*.Hα-helixtrans-77.1-41177.4-51.20000111.9R32 S33 S39 A40R32-T36 WeakPolarHBondContact O-CB 3.49Å; R32-T36 PolarHBondContact O-N 3.39Å; R32-T36 PolarHBondContact O-OG1 3.42Å; S33-T36 PolarHBondContact O-N 3.47Å; T36-S39 PolarHBondContact O-N 3.44Å; T36-A40 WeakPolarHBondContact O-CB 3.36Å; T36-A40 PolarHBondContact O-N 3.49Å
37T54.4Low57Low101 Ų101105.4 Ų105.462%0.6256%0.561SS**Hα-helixtrans-68.5-35.9176.2-58.60000112S33 S41S33-T37 WeakPolarHBondContact O-CB 3.4Å; S33-T37 PolarHBondContact O-N 3.42Å; S33-T37 PolarHBondContact O-OG1 2.86Å; S33-T37 VanDerWaalsContact O-OG1 3.06Å; T37-S41 WeakPolarHBondContact O-CB 3.48Å; T37-S41 PolarHBondContact O-N 3.2Å
38T57.9Low57.3Low68 Ų68103 Ų10342%0.41756%0.562SS.*Hα-helixtrans-81.1-28.2174.5-27.30000112.4R34 R42R34-T38 WeakPolarHBondContact O-CB 3.5Å; R34-T38 PolarHBondContact O-N 3.41Å; R34-T38 PolarHBondContact O-OG1 2.88Å; T38-R42 WeakPolarHBondContact O-CB 3.3Å; T38-R42 PolarHBondContact O-N 3.39Å
39S55.2Low57.6Low62 Ų62105.7 Ų105.743%0.43458%0.577SS.*Hα-helixtrans-69.8-47.2175.3179.80000111.2L35 T36 S41 R42 V43L35-S39 WeakPolarHBondContact O-CA 3.23Å; L35-S39 WeakPolarHBondContact O-CB 3.4Å; L35-S39 PolarHBondContact O-N 2.88Å; T36-S39 PolarHBondContact O-N 3.44Å; S39-S41 VanDerWaalsContact C-N 3.26Å; S39-S41 PolarHBondContact O-N 3.45Å; S39-R42 PolarHBondContact O-N 3.06Å; S39-V43 WeakPolarHBondContact O-CB 3.33Å; S39-V43 WeakPolarHBondContact O-CG2 3.36Å; S39-V43 PolarHBondContact O-N 2.93Å
40A57.2Low58.1Low51 Ų51111.6 Ų111.642%0.42160%0.596SS.*Hα-helixtrans-64.4-31.5176.800000112.8T36 Q44T36-A40 WeakPolarHBondContact O-CB 3.36Å; T36-A40 PolarHBondContact O-N 3.49Å; A40-Q44 WeakPolarHBondContact O-CB 3.39Å; A40-Q44 WeakPolarHBondContact O-CG 3.27Å; A40-Q44 PolarHBondContact O-N 2.92Å; A40-Q44 PolarHBondContact O-NE2 3.35Å
41S59.4Low58.2Low76 Ų76112.1 Ų112.153%0.53160%0.601SS.*Hα-helixtrans-79.2-34.7177.9-1790000113.4T37 S39 V45T37-S41 WeakPolarHBondContact O-CB 3.48Å; T37-S41 PolarHBondContact O-N 3.2Å; S39-S41 VanDerWaalsContact C-N 3.26Å; S39-S41 PolarHBondContact O-N 3.45Å; S41-V45 WeakPolarHBondContact O-CG2 3.28Å
42R58.1Low58.3Low187 Ų187115.7 Ų115.771%0.70662%0.623SS**Hα-helixtrans-80.4-34.3172.5-84-172.7178.8-177.9-0.5113.7T38 S39 Q44 V45 I46T38-R42 WeakPolarHBondContact O-CB 3.3Å; T38-R42 PolarHBondContact O-N 3.39Å; S39-R42 PolarHBondContact O-N 3.06Å; R42-Q44 VanDerWaalsContact C-N 3.33Å; R42-V45 PolarHBondContact O-N 3Å; R42-I46 PolarHBondContact O-N 2.94Å
43V59.7Low58.7Low67 Ų67120.6 Ų120.641%0.40665%0.653SS.*Hα-helixtrans-69.1-32.8178172.50000110.9S39 V45 I46 L47S39-V43 WeakPolarHBondContact O-CB 3.33Å; S39-V43 WeakPolarHBondContact O-CG2 3.36Å; S39-V43 PolarHBondContact O-N 2.93Å; V43-V45 VanDerWaalsContact C-N 3.29Å; V43-V45 PolarHBondContact O-N 2.7Å; V43-I46 PolarHBondContact O-N 3.47Å; V43-L47 HydrophobicContact CG1-CD1 3.79Å; V43-L47 HydrophobicContact CG1-CG 4.48Å; V43-L47 WeakPolarHBondContact O-CB 3.32Å; V43-L47 PolarHBondContact O-N 3.26Å
44Q57.5Low58.8Low139 Ų139123.1 Ų123.165%0.6566%0.661SS**Hα-helixtrans-63.6-30.9170.8-88.5173.672.400113.6A40 R42 L48A40-Q44 WeakPolarHBondContact O-CB 3.39Å; A40-Q44 WeakPolarHBondContact O-CG 3.27Å; A40-Q44 PolarHBondContact O-N 2.92Å; A40-Q44 PolarHBondContact O-NE2 3.35Å; R42-Q44 VanDerWaalsContact C-N 3.33Å; Q44-L48 PolarHBondContact O-N 3.04Å
45V59.3Low58.9Low114 Ų114119.9 Ų119.969%0.69166%0.659SS**Hα-helixtrans-77.5-25.4177.7178.80000111.8S41 R42 V43S41-V45 WeakPolarHBondContact O-CG2 3.28Å; R42-V45 PolarHBondContact O-N 3Å; V43-V45 VanDerWaalsContact C-N 3.29Å; V43-V45 PolarHBondContact O-N 2.7Å
46I64Low59Low144 Ų144119.7 Ų119.774%0.73866%0.659SS**Hα-helixtrans-84.6-26.9174.7-61.4167.8000111.5R42 V43R42-I46 PolarHBondContact O-N 2.94Å; V43-I46 PolarHBondContact O-N 3.47Å
47L57.9Low59.3Low130 Ų130121.4 Ų121.468%0.68167%0.665SS**SBendtrans-89.86.1177.1-83169.2000114.3V43 P49V43-L47 HydrophobicContact CG1-CD1 3.79Å; V43-L47 HydrophobicContact CG1-CG 4.48Å; V43-L47 WeakPolarHBondContact O-CB 3.32Å; V43-L47 PolarHBondContact O-N 3.26Å; L47-P49 WeakPolarHBondContact O-CD 3.37Å
48L61.1Low59.6Low137 Ų137122.6 Ų122.672%0.71767%0.668SS**SBendtrans-85.5100.8164.5-148.375.1000107.1Q44 Q50Q44-L48 PolarHBondContact O-N 3.04Å; L48-Q50 PolarHBondContact O-N 3.01Å; L48-Q50 VanDerWaalsContact O-N 3.14Å
49P62.3Low59.7Low110 Ų110126.3 Ų126.371%0.71469%0.685SS**PPolyproline II helixtrans-61.7122.4168.428.1-32.3000106.5L47L47-P49 WeakPolarHBondContact O-CD 3.37Å
50Q64.9Low60Low178 Ų178130.9 Ų130.983%0.83270%0.703SS**PPolyproline II helixtrans-51.3129.1169.6-171.717719.200107.9L48L48-Q50 PolarHBondContact O-N 3.01Å; L48-Q50 VanDerWaalsContact O-N 3.14Å
51P58.4Low60.2Low108 Ų108137 Ų13770%0.70173%0.725SS**PPolyproline II helixtrans-64.6133.8179.326.6-31.6000108.3
52P57.6Low60.3Low124 Ų124142.1 Ų142.181%0.80574%0.741SS**PPolyproline II helixtrans-69.4132.5174.528.8-31.1000109
53E62.5Low60.5Low267 Ų267138 Ų138100%1.24874%0.744SS**  trans-72.70149.6-73.7-174.9148.900109.6

Retrieved 53 of 53 residues in 39.7 ms (Link to these results)