A0A096NIR8_PAPAN Loading...

C-C motif chemokine

Chemokine, which displays chemotactic activity for T lymphocytes, preferentially Th2 cells, but not monocytes or granulocytes. Therefore plays an important role in a wide range of inflammatory and immunological processes. Acts by binding to CCR4 at T-cell surface. Mediates GM-CSF/CSF2-driven pain and inflammation. In the brain, required to maintain the typical, highly branched morphology of hippocampal microglia under homeostatic conditions. May be important for the appropriate adaptation of microglial morphology and synaptic plasticity to acute lipopolysaccharide (LPS)-induced neuroinflammation. Plays a role in wound healing, mainly by inducing fibroblast migration into the wound.

AlphaFold DB , UniProt , Accession A0A096NIR8, Species PAPAN (Papio anubis, Olive baboon), Gene CCL17, Length 94 aa.

Structure Viewer
Loading PAE data...
(Predicted Aligned Error values between residue pairs)
Error loading PAE data: please refresh the page.

Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M53.8Low74.4Confident242 Ų242116.9 Ų116.9100%1.19264%0.638SS**  071.30-59.5162.9-160.500109.2
2A57.7Low75.1Confident66 Ų66118 Ų11855%0.54564%0.642SS.*  trans-136.4-3.4179.900000116.2M6A2-M6 WeakPolarHBondContact O-CG 3.38Å
3P67.2Low75.4Confident106 Ų106118.5 Ų118.569%0.68864%0.643SS**Hα-helixtrans-78.2-34.6-173.731.5-34.1000112.7L7P3-L7 VanDerWaalsContact O-CB 3.32Å; P3-L7 WeakPolarHBondContact O-CB 3.11Å; P3-L7 PolarHBondContact O-N 3.43Å
4L72.6Confident75.5Confident139 Ų139117.5 Ų117.573%0.72864%0.636SS**Hα-helixtrans-72.7-39.4-171.8-159.375.6000112.8L7 A8L4-L7 PolarHBondContact O-N 2.97Å; L4-A8 WeakPolarHBondContact O-CB 3.33Å; L4-A8 PolarHBondContact O-N 3.14Å
5K76Confident75.5Confident172 Ų172112.3 Ų112.375%0.74862%0.621SS**Hα-helixtrans-68.6-40.1178.6-67.4-173.5175.9-175.90111.7A8 L9K5-A8 PolarHBondContact O-N 3.09Å; K5-L9 WeakPolarHBondContact O-CG 3.39Å; K5-L9 PolarHBondContact O-N 3.02Å; K5-L9 VanDerWaalsContact O-N 3.11Å
6M78.1Confident75.2Confident122 Ų122108.4 Ų108.460%0.60161%0.607SS**Hα-helixtrans-65.8-42.5175.3-69.5-64.3-73.700111.2A2 A8 L9 V10A2-M6 WeakPolarHBondContact O-CG 3.38Å; M6-A8 PolarHBondContact O-N 2.76Å; M6-L9 PolarHBondContact O-N 3.25Å; M6-V10 WeakPolarHBondContact O-CG2 3.33Å; M6-V10 PolarHBondContact O-N 3.33Å
7L81.5Confident74.7Confident103 Ų103106 Ų10654%0.53960%0.6SS.*Hα-helixtrans-62.3-42.6176.6-167.371.7000111.8P3 L4 L9 V10 I11P3-L7 VanDerWaalsContact O-CB 3.32Å; P3-L7 WeakPolarHBondContact O-CB 3.11Å; P3-L7 PolarHBondContact O-N 3.43Å; L4-L7 PolarHBondContact O-N 2.97Å; L7-L9 PolarHBondContact O-N 3.32Å; L7-V10 PolarHBondContact O-N 3.47Å; L7-I11 HydrophobicContact CG-CD1 4.06Å; L7-I11 VanDerWaalsContact O-CG1 3.28Å; L7-I11 WeakPolarHBondContact O-CG1 3.46Å; L7-I11 PolarHBondContact O-N 3.1Å
8A81.9Confident74Confident56 Ų56106.8 Ų106.846%0.46360%0.601SS.*Hα-helixtrans-62.8-40.7177.600000112.6L4 K5 M6 I11 L12L4-A8 WeakPolarHBondContact O-CB 3.33Å; L4-A8 PolarHBondContact O-N 3.14Å; K5-A8 PolarHBondContact O-N 3.09Å; M6-A8 PolarHBondContact O-N 2.76Å; A8-I11 PolarHBondContact O-N 3.4Å; A8-L12 WeakPolarHBondContact O-CB 3.47Å; A8-L12 PolarHBondContact O-N 3.01Å
9L82.8Confident73.3Confident97 Ų97109.7 Ų109.751%0.50861%0.609SS.*Hα-helixtrans-65.2-42.3176.8-74.4166000112K5 M6 L7 L12 L13K5-L9 WeakPolarHBondContact O-CG 3.39Å; K5-L9 PolarHBondContact O-N 3.02Å; K5-L9 VanDerWaalsContact O-N 3.11Å; M6-L9 PolarHBondContact O-N 3.25Å; L7-L9 PolarHBondContact O-N 3.32Å; L9-L12 PolarHBondContact O-N 3.12Å; L9-L13 WeakPolarHBondContact O-CB 3.47Å; L9-L13 WeakPolarHBondContact O-CD1 3.32Å; L9-L13 VanDerWaalsContact O-CG 3.31Å; L9-L13 WeakPolarHBondContact O-CG 3.32Å; L9-L13 PolarHBondContact O-N 3.34Å
10V84.1Confident72.4Confident75 Ų75111.6 Ų111.646%0.45561%0.613SS.*Hα-helixtrans-62.8-45177.5170.10000110.7M6 L7 L12 L13 L14M6-V10 WeakPolarHBondContact O-CG2 3.33Å; M6-V10 PolarHBondContact O-N 3.33Å; L7-V10 PolarHBondContact O-N 3.47Å; V10-L12 VanDerWaalsContact C-N 3.35Å; V10-L12 PolarHBondContact O-N 3.07Å; V10-L13 PolarHBondContact O-N 2.96Å; V10-L14 HydrophobicContact CG1-CD1 3.59Å; V10-L14 WeakPolarHBondContact O-CB 3.46Å; V10-L14 WeakPolarHBondContact O-CD1 3.33Å; V10-L14 PolarHBondContact O-N 2.96Å
11I83.2Confident71.8Confident108 Ų108112.4 Ų112.455%0.55462%0.616SS**Hα-helixtrans-62.2-42.1177.3-67.8165.7000111.3L7 A8 L14 G15L7-I11 HydrophobicContact CG-CD1 4.06Å; L7-I11 VanDerWaalsContact O-CG1 3.28Å; L7-I11 WeakPolarHBondContact O-CG1 3.46Å; L7-I11 PolarHBondContact O-N 3.1Å; A8-I11 PolarHBondContact O-N 3.4Å; I11-L14 PolarHBondContact O-N 2.67Å; I11-G15 PolarHBondContact O-N 3.1Å
12L82.4Confident72.1Confident130 Ų130108.7 Ų108.768%0.68160%0.595SS**Hα-helixtrans-64.4-43.1179-167.476.6000111.7A8 L9 V10 G15 A16A8-L12 WeakPolarHBondContact O-CB 3.47Å; A8-L12 PolarHBondContact O-N 3.01Å; L9-L12 PolarHBondContact O-N 3.12Å; V10-L12 VanDerWaalsContact C-N 3.35Å; V10-L12 PolarHBondContact O-N 3.07Å; L12-G15 PolarHBondContact O-N 3.45Å; L12-A16 WeakPolarHBondContact O-CB 3.39Å; L12-A16 PolarHBondContact O-N 2.87Å
13L78.7Confident72.2Confident125 Ų125109 Ų10965%0.65460%0.597SS**Hα-helixtrans-65.5-43.6177.9-74.7163.3000111.9L9 V10 A16 S17L9-L13 WeakPolarHBondContact O-CB 3.47Å; L9-L13 WeakPolarHBondContact O-CD1 3.32Å; L9-L13 VanDerWaalsContact O-CG 3.31Å; L9-L13 WeakPolarHBondContact O-CG 3.32Å; L9-L13 PolarHBondContact O-N 3.34Å; V10-L13 PolarHBondContact O-N 2.96Å; L13-A16 PolarHBondContact O-N 3.47Å; L13-S17 PolarHBondContact O-N 3.16Å; L13-S17 VanDerWaalsContact O-N 3.08Å
14L76.4Confident71.9Confident104 Ų104108.9 Ų108.955%0.54561%0.605SS.*Hα-helixtrans-63.7-43.3175.1-85.6147.3000111.7V10 I11 A16 S17 L18V10-L14 HydrophobicContact CG1-CD1 3.59Å; V10-L14 WeakPolarHBondContact O-CB 3.46Å; V10-L14 WeakPolarHBondContact O-CD1 3.33Å; V10-L14 PolarHBondContact O-N 2.96Å; I11-L14 PolarHBondContact O-N 2.67Å; L14-A16 PolarHBondContact O-N 3.43Å; L14-S17 PolarHBondContact O-N 2.9Å; L14-S17 PolarHBondContact O-OG 3.02Å; L14-L18 PolarHBondContact O-N 2.83Å
15G76.6Confident71.1Confident40 Ų40112.3 Ų112.341%0.41261%0.609SS.*Hα-helixtrans-61.5-42.4176.300000113.2I11 L12 L18I11-G15 PolarHBondContact O-N 3.1Å; L12-G15 PolarHBondContact O-N 3.45Å; G15-L18 PolarHBondContact O-N 2.87Å
16A70.7Confident70.2Confident49 Ų49106.7 Ų106.741%0.40560%0.6SS.*Hα-helixtrans-66.5-35.4176.700000112.5L12 L13 L14 L18 Q19L12-A16 WeakPolarHBondContact O-CB 3.39Å; L12-A16 PolarHBondContact O-N 2.87Å; L13-A16 PolarHBondContact O-N 3.47Å; L14-A16 PolarHBondContact O-N 3.43Å; A16-L18 VanDerWaalsContact C-N 3.3Å; A16-L18 PolarHBondContact O-N 3.42Å; A16-Q19 PolarHBondContact O-N 3.15Å
17S66.8Low69.2Low68 Ų68104.9 Ų104.948%0.47660%0.595SS.*Hα-helixtrans-68.1-27.7178.372.90000113.6L13 L14 Q19L13-S17 PolarHBondContact O-N 3.16Å; L13-S17 VanDerWaalsContact O-N 3.08Å; L14-S17 PolarHBondContact O-N 2.9Å; L14-S17 PolarHBondContact O-OG 3.02Å; S17-Q19 VanDerWaalsContact C-N 3.28Å; S17-Q19 PolarHBondContact O-N 3.31Å
18L62.4Low68.2Low121 Ų121105.1 Ų105.163%0.63460%0.597SS**Hα-helixtrans-71-21.8178.4-117.571.8000113.2L14 G15 A16 H20L14-L18 PolarHBondContact O-N 2.83Å; G15-L18 PolarHBondContact O-N 2.87Å; A16-L18 VanDerWaalsContact C-N 3.3Å; A16-L18 PolarHBondContact O-N 3.42Å; L18-H20 PolarHBondContact O-N 3.22Å
19Q60.6Low67.4Low161 Ų161109 Ų10975%0.75262%0.615SS**THydrogen-bonded Turntrans-74.4-13-178.6-60.2-174.5-59.700113.4A16 S17A16-Q19 PolarHBondContact O-N 3.15Å; S17-Q19 VanDerWaalsContact C-N 3.28Å; S17-Q19 PolarHBondContact O-N 3.31Å
20H55.6Low66.7Low148 Ų148108.4 Ų108.469%0.68563%0.632SS**THydrogen-bonded Turntrans-93.15.4-179.5-83.1-72.8000114.6L18 H22L18-H20 PolarHBondContact O-N 3.22Å; H20-H22 PolarHBondContact O-N 3.21Å
21I59.6Low66.4Low129 Ų129109.8 Ų109.866%0.66263%0.629SS**  trans-7678170.9-51.6179000108.1A23I21-A23 PolarHBondContact O-N 3.18Å
22H59Low66.6Low163 Ų163109.3 Ų109.376%0.75562%0.624SS**  trans-64.394.3157.2-68.6104.9000106.4H20 A24H20-H22 PolarHBondContact O-N 3.21Å; H22-A24 PolarHBondContact O-N 3.38Å
23A60.2Low67.2Low73 Ų73105.6 Ų105.660%0.60361%0.609SS**  trans-55116.1163.600000106.5I21 R25I21-A23 PolarHBondContact O-N 3.18Å; A23-R25 PolarHBondContact O-N 3.23Å
24A60.2Low68Low103 Ų10399.8 Ų99.885%0.85158%0.578SS**  trans-62.482.9161.400000106.1H22 G26H22-A24 PolarHBondContact O-N 3.38Å; A24-G26 PolarHBondContact O-N 3.17Å
25R56.9Low68.9Low212 Ų212101.8 Ų101.880%0.859%0.589SS**  trans-54.8119.9168.6-74-178.2172.7163.1-1.4104.2A23 T27A23-R25 PolarHBondContact O-N 3.23Å; R25-T27 HydrophobicContact CB-CG2 4.43Å; R25-T27 PolarHBondContact O-N 3.41Å
26G56.5Low69.8Low54 Ų54107.9 Ų107.956%0.55760%0.604SS**  trans-63.481.8171.800000108.5A24 N28 V29A24-G26 PolarHBondContact O-N 3.17Å; G26-N28 PolarHBondContact O-N 3.36Å; G26-V29 PolarHBondContact O-N 3.5Å
27T57.7Low71.1Confident84 Ų84108.5 Ų108.552%0.51560%0.596SS.*THydrogen-bonded Turntrans-66.8-3.9178.7550000112.3R25 R31R25-T27 HydrophobicContact CB-CG2 4.43Å; R25-T27 PolarHBondContact O-N 3.41Å; T27-R31 PolarHBondContact O-NE 2.97Å; T27-R31 PolarHBondContact OG1-NH1 3.08Å
28N60.6Low72.6Confident107 Ų107110.3 Ų110.357%0.57260%0.596SS**THydrogen-bonded Turntrans-90.8-3.6-176.4-59.4-35.2000113.4G26 G30 R31G26-N28 PolarHBondContact O-N 3.36Å; N28-G30 PolarHBondContact O-N 2.79Å; N28-R31 PolarHBondContact O-N 2.66Å
29V64.9Low74.1Confident139 Ų139114.8 Ų114.884%0.84261%0.61SS**THydrogen-bonded Turntrans-66.1110.2176.7-178.50000108.8G26G26-V29 PolarHBondContact O-N 3.5Å
30G67.8Low75.6Confident83 Ų83109 Ų10986%0.85659%0.593SS**THydrogen-bonded Turntrans88.74.4179.100000115.8N28N28-G30 PolarHBondContact O-N 2.79Å
31R77.5Confident77.5Confident105 Ų105106.1 Ų106.140%0.39660%0.596SS.*  trans-80.7126.7171.9-80.8-174.1-174.7153.10.5110.9T27 N28 P54 D56T27-R31 PolarHBondContact O-NE 2.97Å; T27-R31 PolarHBondContact OG1-NH1 3.08Å; N28-R31 PolarHBondContact O-N 2.66Å; R31-P54 HydrophobicContact CG-CG 4.38Å; R31-D56 WeakPolarHBondContact CD-OD2 3.3Å; R31-D56 IonicContact CZ-OD1 3.53Å; R31-D56 IonicContact CZ-OD2 3.25Å; R31-D56 VanDerWaalsContact CZ-OD2 3.25Å; R31-D56 IonicContact NE-OD1 3.62Å; R31-D56 IonicContact NE-OD2 3.45Å; R31-D56 PolarHBondContact NE-OD2 2.81Å; R31-D56 IonicContact NH1-OD1 3.55Å; R31-D56 IonicContact NH1-OD2 2.61Å; R31-D56 PolarHBondContact NH1-OD2 3.01Å
32E88.3Confident79.2Confident97 Ų97101.5 Ų101.545%0.45357%0.572SS.*  trans-97.1113.8173.4-170.4-178.2-174.100109.8Y51E32-Y51 VanDerWaalsContact CD-OH 3.31Å; E32-Y51 PolarHBondContact OE2-OH 3.33Å
33C94.4Very high80.9Confident53 Ų5396 Ų9636%0.35855%0.55SS.*  trans-113.3148173.5-66.90000111.1C57C33-C57 VanDerWaalsContact CA-SG 3.52Å; C33-C57 HydrophobicContact CB-CB 3.85Å; C33-C57 WeakPolarHBondContact CB-SG 3.45Å; C33-C57 WeakPolarHBondContact SG-CB 3.34Å; C33-C57 CovalentContact SG-SG 2.05Å; C33-C57 PolarHBondContact SG-SG 2.04Å
34C96.4Very high82.6Confident2 Ų295.2 Ų95.21%0.01454%0.536CS..  trans-88.1112.7175.7-73.40000111.6A61 C73C34-A61 HydrophobicContact CB-CB 3.67Å; C34-C73 VanDerWaalsContact CA-SG 3.6Å; C34-C73 HydrophobicContact CB-CB 3.63Å; C34-C73 WeakPolarHBondContact CB-SG 3.4Å; C34-C73 VanDerWaalsContact SG-CA 3.58Å; C34-C73 WeakPolarHBondContact SG-CB 3.35Å; C34-C73 CovalentContact SG-SG 2.04Å; C34-C73 PolarHBondContact SG-SG 2.7Å
35L94.6Very high84.2Confident146 Ų146101.5 Ų101.576%0.76454%0.538SS*.SBendtrans-74.7-31.9175.4-60.1180000112.8R59L35-R59 PolarHBondContact O-NE 2.61Å
36K96.1Very high86.1Confident168 Ų16897.1 Ų97.173%0.7352%0.524SS*.SBendtrans-146.2148-179.562.8-175.9176.4-175.50111C73K36-C73 VanDerWaalsContact O-CB 3.3Å; K36-C73 WeakPolarHBondContact O-CB 3.32Å
37Y97.8Very high88Confident63 Ų6395.1 Ų95.125%0.24750%0.501CS..  trans-78.8145.8170.4-55.4-47.6000111.3D60 A61 D75Y37-D60 WeakPolarHBondContact CE1-O 3.44Å; Y37-D60 PolarHBondContact OH-O 3.47Å; Y37-A61 HydrophobicContact CE1-CB 3.98Å; Y37-D75 HydrophobicContact CD1-CB 4.36Å; Y37-D75 HydrophobicContact CD2-CB 3.73Å; Y37-D75 HydrophobicContact CE1-CB 4.35Å; Y37-D75 HydrophobicContact CE2-CB 3.72Å; Y37-D75 HydrophobicContact CG-CB 4.07Å
38F96.6Very high89.8Confident106 Ų10697.3 Ų97.347%0.46550%0.503SS..  trans-67.5127.9170.8179.1-111.3000109.9G40 I72 C73F38-G40 WeakPolarHBondContact CD1-O 3.48Å; F38-G40 WeakPolarHBondContact CE1-O 3.47Å; F38-G40 VanDerWaalsContact CZ-CA 3.49Å; F38-I72 HydrophobicContact CB-CG2 3.61Å; F38-I72 HydrophobicContact CD1-CG2 3.58Å; F38-I72 HydrophobicContact CE1-CG2 4.35Å; F38-I72 HydrophobicContact CG-CG2 3.68Å; F38-C73 WeakPolarHBondContact CB-O 3.12Å; F38-C73 PolarHBondContact N-O 3.04Å
39K94.8Very high91.6Very high214 Ų21495 Ų9593%0.9349%0.493SS*.  trans-92.8-5.3-178.1-63.9-174.9177.8-1770113.9
40G93.1Very high93.1Very high39 Ų3992 Ų9240%0.40247%0.466SS..SBendtrans-85.9178.4-178.300000113.5F38F38-G40 WeakPolarHBondContact CD1-O 3.48Å; F38-G40 WeakPolarHBondContact CE1-O 3.47Å; F38-G40 VanDerWaalsContact CZ-CA 3.49Å
41A93.8Very high94.5Very high89 Ų8991.6 Ų91.674%0.73644%0.44SS*.  trans-73132.5174.700000111.3P43A41-P43 WeakPolarHBondContact O-CD 3.31Å
42I95.5Very high95.4Very high31 Ų3191.8 Ų91.816%0.15945%0.445CS..  trans-72.2117.5177.6-58.1170.9000109L44 L47 F64 K80 V81 A84I42-L44 PolarHBondContact O-N 3.13Å; I42-L47 HydrophobicContact CG2-CD1 3.86Å; I42-L47 HydrophobicContact CG2-CD2 4.22Å; I42-L47 HydrophobicContact CG2-CG 4.45Å; I42-F64 HydrophobicContact CD1-CD2 4.48Å; I42-F64 HydrophobicContact CD1-CE2 3.97Å; I42-F64 HydrophobicContact CG2-CD2 4.23Å; I42-F64 HydrophobicContact CG2-CE2 4.41Å; I42-K80 HydrophobicContact CD1-CB 4.44Å; I42-V81 HydrophobicContact CD1-CB 4.5Å; I42-V81 HydrophobicContact CD1-CG2 3.65Å; I42-A84 HydrophobicContact CG2-CB 4.13Å
43P95.3Very high95.7Very high47 Ų4787.4 Ų87.431%0.30543%0.425SS..  trans-81.681-175.333.6-35000111A41 R45 K46 L47 I72A41-P43 WeakPolarHBondContact O-CD 3.31Å; P43-R45 VanDerWaalsContact C-N 3.33Å; P43-R45 PolarHBondContact O-N 3.43Å; P43-R45 VanDerWaalsContact O-N 3.15Å; P43-K46 HydrophobicContact CB-CB 4.18Å; P43-K46 HydrophobicContact CB-CD 4.24Å; P43-K46 HydrophobicContact CB-CG 4.33Å; P43-K46 HydrophobicContact CG-CB 4.31Å; P43-K46 PolarHBondContact O-N 2.87Å; P43-L47 PolarHBondContact O-N 3.03Å; P43-I72 HydrophobicContact CG-CD1 4.17Å
44L95.2Very high95.7Very high58 Ų5887 Ų8730%0.30442%0.422SS..G310 helixtrans-45.3-49.5-173-68.2178.3000114.4I42 K46 L47 A84 Y87I42-L44 PolarHBondContact O-N 3.13Å; L44-K46 PolarHBondContact O-N 2.81Å; L44-K46 VanDerWaalsContact O-N 3.16Å; L44-L47 HydrophobicContact CD2-CD1 4.2Å; L44-L47 WeakPolarHBondContact O-CB 3.43Å; L44-L47 WeakPolarHBondContact O-CG 3.29Å; L44-L47 PolarHBondContact O-N 2.86Å; L44-L47 VanDerWaalsContact O-N 3.14Å; L44-A84 HydrophobicContact CD2-CB 3.44Å; L44-A84 VanDerWaalsContact CD2-CB 3.44Å; L44-Y87 HydrophobicContact CB-CD1 4.33Å; L44-Y87 HydrophobicContact CB-CE1 4.36Å; L44-Y87 HydrophobicContact CD2-CD1 4.39Å; L44-Y87 VanDerWaalsContact O-CE1 3.31Å; L44-Y87 WeakPolarHBondContact O-CE1 3.32Å
45R94.3Very high95.4Very high234 Ų23495.5 Ų95.588%0.88346%0.461SS*.G310 helixtrans-66.1-16.1-178.5-65.4-175.8179.7172-0.7114.4P43P43-R45 VanDerWaalsContact C-N 3.33Å; P43-R45 PolarHBondContact O-N 3.43Å; P43-R45 VanDerWaalsContact O-N 3.15Å
46K96.1Very high95.2Very high120 Ų12092.3 Ų92.352%0.52245%0.445SS..G310 helixtrans-99.9-2.6179.5-60.8-173.8179-178.20112.2P43 L44 T66 V67P43-K46 HydrophobicContact CB-CB 4.18Å; P43-K46 HydrophobicContact CB-CD 4.24Å; P43-K46 HydrophobicContact CB-CG 4.33Å; P43-K46 HydrophobicContact CG-CB 4.31Å; P43-K46 PolarHBondContact O-N 2.87Å; L44-K46 PolarHBondContact O-N 2.81Å; L44-K46 VanDerWaalsContact O-N 3.16Å; K46-T66 CarbonylContact O-C 3.44Å; K46-T66 WeakPolarHBondContact O-CA 3.12Å; K46-T66 VanDerWaalsContact O-CB 3.29Å; K46-T66 WeakPolarHBondContact O-CB 3.43Å; K46-V67 PolarHBondContact O-N 3.14Å
47L97.1Very high95Very high12 Ų1284.8 Ų84.86%0.06341%0.413CS..EExtended strand (participates in β ladder)trans-75.1138179.1-57.9-172.4000110.2I42 P43 L44 F64 T66 A84 L88I42-L47 HydrophobicContact CG2-CD1 3.86Å; I42-L47 HydrophobicContact CG2-CD2 4.22Å; I42-L47 HydrophobicContact CG2-CG 4.45Å; P43-L47 PolarHBondContact O-N 3.03Å; L44-L47 HydrophobicContact CD2-CD1 4.2Å; L44-L47 WeakPolarHBondContact O-CB 3.43Å; L44-L47 WeakPolarHBondContact O-CG 3.29Å; L44-L47 PolarHBondContact O-N 2.86Å; L44-L47 VanDerWaalsContact O-N 3.14Å; L47-F64 HydrophobicContact CD1-CD1 3.9Å; L47-F64 HydrophobicContact CD1-CE1 4.33Å; L47-F64 HydrophobicContact CD1-CG 4.15Å; L47-F64 HydrophobicContact CD2-CB 3.83Å; L47-F64 HydrophobicContact CD2-CG 4.32Å; L47-T66 HydrophobicContact CD2-CG2 4.28Å; L47-A84 HydrophobicContact CD1-CB 4.03Å; L47-L88 HydrophobicContact CB-CD1 4.1Å; L47-L88 HydrophobicContact CB-CD2 3.79Å; L47-L88 HydrophobicContact CB-CG 4.23Å; L47-L88 HydrophobicContact CD1-CD1 4.05Å; L47-L88 HydrophobicContact CD1-CG 4.38Å
48K96.4Very high94.7Very high131 Ų13187.2 Ų87.257%0.5744%0.44SS*.EExtended strand (participates in β ladder)trans-109.1-47.8178.1179.4-177.4176.5-177.10111.2V65 V67K48-V65 WeakPolarHBondContact CB-O 3.29Å; K48-V65 PolarHBondContact N-O 3.13Å; K48-V67 HydrophobicContact CB-CG1 4.12Å
49T97Very high94.6Very high57 Ų5787.9 Ų87.935%0.3544%0.439SS..EExtended strand (participates in β ladder)trans-154.9177.4-178.9-170.10000110.7V65T49-V65 HydrophobicContact CG2-CB 3.75Å; T49-V65 HydrophobicContact CG2-CG1 4.47Å; T49-V65 HydrophobicContact CG2-CG2 4.03Å; T49-V65 PolarHBondContact N-O 3.27Å; T49-V65 PolarHBondContact O-N 3.5Å
50W97.4Very high94.6Very high76 Ų7682 Ų8229%0.28842%0.418SS..EExtended strand (participates in β ladder)trans-143.7157.1174.568.7-85.1000110.9I62 V63 F64 L85 L88W50-I62 HydrophobicContact CB-CG2 4.34Å; W50-I62 HydrophobicContact CE3-CD1 4.22Å; W50-I62 HydrophobicContact CE3-CG2 4.2Å; W50-I62 HydrophobicContact CZ3-CD1 4.12Å; W50-V63 CarbonylContact C-O 3.57Å; W50-V63 WeakPolarHBondContact CA-O 3.48Å; W50-F64 HydrophobicContact CB-CD1 3.72Å; W50-F64 HydrophobicContact CB-CE1 3.99Å; W50-L85 HydrophobicContact CB-CD2 4.32Å; W50-L85 HydrophobicContact CD2-CD2 3.21Å; W50-L85 VanDerWaalsContact CE2-CD2 3.42Å; W50-L85 HydrophobicContact CE3-CD2 3.55Å; W50-L85 HydrophobicContact CG-CD2 3.56Å; W50-L85 HydrophobicContact CH2-CD2 4.21Å; W50-L85 HydrophobicContact CZ2-CD2 3.93Å; W50-L85 HydrophobicContact CZ3-CD2 4.03Å; W50-L88 HydrophobicContact CB-CD1 4.11Å; W50-L88 HydrophobicContact CG-CD1 4.3Å
51Y96.3Very high94.9Very high76 Ų7680.1 Ų80.130%0.29840%0.398SS..EExtended strand (participates in β ladder)trans-146.8163167.359.7-82000110.1E32 V63 V65E32-Y51 VanDerWaalsContact CD-OH 3.31Å; E32-Y51 PolarHBondContact OE2-OH 3.33Å; Y51-V63 HydrophobicContact CD1-CB 4.11Å; Y51-V63 HydrophobicContact CD1-CG1 4.49Å; Y51-V63 HydrophobicContact CD2-CB 4.21Å; Y51-V63 HydrophobicContact CD2-CG2 4.39Å; Y51-V63 HydrophobicContact CE1-CB 3.65Å; Y51-V63 HydrophobicContact CE1-CG1 3.64Å; Y51-V63 HydrophobicContact CE2-CB 3.79Å; Y51-V63 HydrophobicContact CE2-CG1 4.33Å; Y51-V63 HydrophobicContact CE2-CG2 3.8Å; Y51-V63 HydrophobicContact CG-CB 4.37Å; Y51-V63 VanDerWaalsContact CZ-CB 3.49Å; Y51-V63 PolarHBondContact N-O 3.49Å; Y51-V63 PolarHBondContact O-N 2.86Å; Y51-V63 WeakPolarHBondContact OH-CG1 3.46Å; Y51-V65 HydrophobicContact CD1-CG2 4.1Å; Y51-V65 HydrophobicContact CE1-CG2 3.64Å
52Q96.4Very high95.1Very high108 Ų10876.3 Ų76.351%0.50537%0.366SS..EExtended strand (participates in β ladder)trans-95.9141.1172.1-171.6173.4-14.200109.4A61 I62Q52-A61 WeakPolarHBondContact CA-O 3.37Å; Q52-I62 HydrophobicContact CB-CD1 4.09Å; Q52-I62 HydrophobicContact CG-CD1 4.18Å
53T95.8Very high95.2Very high5 Ų574.9 Ų74.93%0.03136%0.358CS..PPolyproline II helixtrans-65.2153.7172.150.90000111A61 V63T53-A61 HydrophobicContact CG2-CB 3.86Å; T53-A61 PolarHBondContact N-O 2.92Å; T53-A61 PolarHBondContact OG1-N 2.87Å; T53-A61 VanDerWaalsContact OG1-N 3.08Å; T53-A61 PolarHBondContact OG1-O 3.04Å; T53-V63 HydrophobicContact CG2-CG2 3.87Å
54P93Very high95.3Very high46 Ų4672.6 Ų72.630%0.29934%0.344SS..PPolyproline II helixtrans-52.9146.9173.1-2634.7000113.2R31 D56 C57R31-P54 HydrophobicContact CG-CG 4.38Å; P54-D56 WeakPolarHBondContact CB-OD1 3.44Å; P54-D56 PolarHBondContact O-N 2.98Å; P54-C57 VanDerWaalsContact O-CB 3.3Å; P54-C57 WeakPolarHBondContact O-CB 2.96Å; P54-C57 PolarHBondContact O-N 3.22Å; P54-C57 VanDerWaalsContact O-N 3.11Å; P54-C57 PolarHBondContact O-SG 3.1Å
55E90.8Very high95.4Very high179 Ų17971 Ų7184%0.83634%0.336SS*.THydrogen-bonded Turntrans-65.5-22-179-63.6-178.3175.900113.3C57E55-C57 PolarHBondContact O-N 2.8Å
56D89.6Confident95.6Very high79 Ų7960.3 Ų60.342%0.42230%0.297SS..THydrogen-bonded Turntrans-77.6-7176.261.9-73000113.4R31 P54R31-D56 WeakPolarHBondContact CD-OD2 3.3Å; R31-D56 IonicContact CZ-OD1 3.53Å; R31-D56 IonicContact CZ-OD2 3.25Å; R31-D56 VanDerWaalsContact CZ-OD2 3.25Å; R31-D56 IonicContact NE-OD1 3.62Å; R31-D56 IonicContact NE-OD2 3.45Å; R31-D56 PolarHBondContact NE-OD2 2.81Å; R31-D56 IonicContact NH1-OD1 3.55Å; R31-D56 IonicContact NH1-OD2 2.61Å; R31-D56 PolarHBondContact NH1-OD2 3.01Å; P54-D56 WeakPolarHBondContact CB-OD1 3.44Å; P54-D56 PolarHBondContact O-N 2.98Å
57C92.3Very high95.6Very high10 Ų1058.9 Ų58.97%0.06830%0.298CS..SBendtrans-67.3141.7170.8-66.60000110.2C33 P54 E55 R59C33-C57 VanDerWaalsContact CA-SG 3.52Å; C33-C57 HydrophobicContact CB-CB 3.85Å; C33-C57 WeakPolarHBondContact CB-SG 3.45Å; C33-C57 WeakPolarHBondContact SG-CB 3.34Å; C33-C57 CovalentContact SG-SG 2.05Å; C33-C57 PolarHBondContact SG-SG 2.04Å; P54-C57 VanDerWaalsContact O-CB 3.3Å; P54-C57 WeakPolarHBondContact O-CB 2.96Å; P54-C57 PolarHBondContact O-N 3.22Å; P54-C57 VanDerWaalsContact O-N 3.11Å; P54-C57 PolarHBondContact O-SG 3.1Å; E55-C57 PolarHBondContact O-N 2.8Å; C57-R59 PolarHBondContact O-N 2.97Å
58S92.2Very high95.6Very high114 Ų11464.2 Ų64.280%0.79732%0.323SS*.SBendtrans-60.9-13.6176.658.50000114.7
59R93.5Very high95.6Very high120 Ų12063.6 Ų63.645%0.45333%0.326SS..SBendtrans-138.3126.8-179.4-65.7178.4178.7-86.1-4.2109.2L35 C57 A61L35-R59 PolarHBondContact O-NE 2.61Å; C57-R59 PolarHBondContact O-N 2.97Å; R59-A61 PolarHBondContact O-N 3.26Å
60D96.3Very high95.6Very high90 Ų9066.9 Ų66.948%0.48134%0.335SS..  trans-66131.3166.3-62.9-30.3000109.6Y37 P76Y37-D60 WeakPolarHBondContact CE1-O 3.44Å; Y37-D60 PolarHBondContact OH-O 3.47Å; D60-P76 HydrophobicContact CB-CG 4.02Å; D60-P76 WeakPolarHBondContact O-CD 3.46Å
61A97.9Very high95.6Very high0 Ų065.8 Ų65.80%034%0.342CS..  trans-144.5145.917700000112.1C34 Y37 Q52 T53 R59 S74C34-A61 HydrophobicContact CB-CB 3.67Å; Y37-A61 HydrophobicContact CE1-CB 3.98Å; Q52-A61 WeakPolarHBondContact CA-O 3.37Å; T53-A61 HydrophobicContact CG2-CB 3.86Å; T53-A61 PolarHBondContact N-O 2.92Å; T53-A61 PolarHBondContact OG1-N 2.87Å; T53-A61 VanDerWaalsContact OG1-N 3.08Å; T53-A61 PolarHBondContact OG1-O 3.04Å; R59-A61 PolarHBondContact O-N 3.26Å; A61-S74 WeakPolarHBondContact CA-O 3.42Å
62I97.9Very high95.6Very high10 Ų1063 Ų635%0.05133%0.332CS..EExtended strand (participates in β ladder)trans-96.9122.9161.3-60.3-62.3000107.2W50 Q52 F64 S74 P76 V81 L85W50-I62 HydrophobicContact CB-CG2 4.34Å; W50-I62 HydrophobicContact CE3-CD1 4.22Å; W50-I62 HydrophobicContact CE3-CG2 4.2Å; W50-I62 HydrophobicContact CZ3-CD1 4.12Å; Q52-I62 HydrophobicContact CB-CD1 4.09Å; Q52-I62 HydrophobicContact CG-CD1 4.18Å; I62-F64 HydrophobicContact CG2-CD1 4.46Å; I62-F64 HydrophobicContact CG2-CE1 4.01Å; I62-F64 HydrophobicContact CG2-CE2 4.2Å; I62-F64 HydrophobicContact CG2-CZ 3.86Å; I62-S74 PolarHBondContact N-O 3.02Å; I62-S74 WeakPolarHBondContact O-CA 3.3Å; I62-S74 WeakPolarHBondContact O-CB 3.39Å; I62-S74 PolarHBondContact O-N 3.42Å; I62-P76 HydrophobicContact CG1-CB 4.15Å; I62-P76 HydrophobicContact CG1-CG 4.19Å; I62-V81 HydrophobicContact CB-CG1 4.05Å; I62-V81 HydrophobicContact CG1-CG1 4.22Å; I62-V81 HydrophobicContact CG2-CG1 4.35Å; I62-L85 HydrophobicContact CG1-CD1 4.26Å; I62-L85 HydrophobicContact CG2-CD1 4.48Å; I62-L85 HydrophobicContact CG2-CD2 4.1Å; I62-L85 HydrophobicContact CG2-CG 4.41Å
63V98.1Very high95.7Very high0 Ų059.1 Ų59.10%032%0.317CS..EExtended strand (participates in β ladder)trans-98.6116174.3-174.10000108.6W50 Y51 T53 A71 I72W50-V63 CarbonylContact C-O 3.57Å; W50-V63 WeakPolarHBondContact CA-O 3.48Å; Y51-V63 HydrophobicContact CD1-CB 4.11Å; Y51-V63 HydrophobicContact CD1-CG1 4.49Å; Y51-V63 HydrophobicContact CD2-CB 4.21Å; Y51-V63 HydrophobicContact CD2-CG2 4.39Å; Y51-V63 HydrophobicContact CE1-CB 3.65Å; Y51-V63 HydrophobicContact CE1-CG1 3.64Å; Y51-V63 HydrophobicContact CE2-CB 3.79Å; Y51-V63 HydrophobicContact CE2-CG1 4.33Å; Y51-V63 HydrophobicContact CE2-CG2 3.8Å; Y51-V63 HydrophobicContact CG-CB 4.37Å; Y51-V63 VanDerWaalsContact CZ-CB 3.49Å; Y51-V63 PolarHBondContact N-O 3.49Å; Y51-V63 PolarHBondContact O-N 2.86Å; Y51-V63 WeakPolarHBondContact OH-CG1 3.46Å; T53-V63 HydrophobicContact CG2-CG2 3.87Å; V63-A71 HydrophobicContact CG1-CB 3.79Å; V63-I72 WeakPolarHBondContact CA-O 3.02Å
64F98.3Very high95.8Very high0 Ų059.1 Ų59.10%032%0.317CS..EExtended strand (participates in β ladder)trans-87.1134.3167.7-62.4-69.2000110.1I42 L47 W50 I62 A71 I72 S74 V81 A84 L85 L88I42-F64 HydrophobicContact CD1-CD2 4.48Å; I42-F64 HydrophobicContact CD1-CE2 3.97Å; I42-F64 HydrophobicContact CG2-CD2 4.23Å; I42-F64 HydrophobicContact CG2-CE2 4.41Å; L47-F64 HydrophobicContact CD1-CD1 3.9Å; L47-F64 HydrophobicContact CD1-CE1 4.33Å; L47-F64 HydrophobicContact CD1-CG 4.15Å; L47-F64 HydrophobicContact CD2-CB 3.83Å; L47-F64 HydrophobicContact CD2-CG 4.32Å; W50-F64 HydrophobicContact CB-CD1 3.72Å; W50-F64 HydrophobicContact CB-CE1 3.99Å; I62-F64 HydrophobicContact CG2-CD1 4.46Å; I62-F64 HydrophobicContact CG2-CE1 4.01Å; I62-F64 HydrophobicContact CG2-CE2 4.2Å; I62-F64 HydrophobicContact CG2-CZ 3.86Å; F64-A71 CarbonylContact O-C 3.52Å; F64-A71 WeakPolarHBondContact O-CA 3.42Å; F64-I72 HydrophobicContact CB-CB 4.3Å; F64-I72 PolarHBondContact N-O 3.45Å; F64-I72 PolarHBondContact O-N 3.49Å; F64-S74 WeakPolarHBondContact CD2-OG 3.08Å; F64-V81 HydrophobicContact CE2-CB 4.4Å; F64-V81 HydrophobicContact CE2-CG1 3.88Å; F64-V81 HydrophobicContact CE2-CG2 4.3Å; F64-V81 HydrophobicContact CZ-CG1 3.84Å; F64-A84 HydrophobicContact CE1-CB 3.92Å; F64-A84 HydrophobicContact CE2-CB 4.13Å; F64-A84 HydrophobicContact CZ-CB 3.56Å; F64-L85 HydrophobicContact CE1-CD2 4.28Å; F64-L85 HydrophobicContact CE1-CG 4.19Å; F64-L85 HydrophobicContact CZ-CG 4.17Å; F64-L88 HydrophobicContact CD1-CD1 3.79Å; F64-L88 HydrophobicContact CE1-CD1 4.01Å
65V97.6Very high96.1Very high24 Ų2459.3 Ų59.315%0.14532%0.315CS..EExtended strand (participates in β ladder)trans-105.6125173.2-174.30000108.2K48 T49 Y51K48-V65 WeakPolarHBondContact CB-O 3.29Å; K48-V65 PolarHBondContact N-O 3.13Å; T49-V65 HydrophobicContact CG2-CB 3.75Å; T49-V65 HydrophobicContact CG2-CG1 4.47Å; T49-V65 HydrophobicContact CG2-CG2 4.03Å; T49-V65 PolarHBondContact N-O 3.27Å; T49-V65 PolarHBondContact O-N 3.5Å; Y51-V65 HydrophobicContact CD1-CG2 4.1Å; Y51-V65 HydrophobicContact CE1-CG2 3.64Å
66T97.4Very high96.4Very high10 Ų1052.1 Ų52.16%0.06129%0.285CS..EExtended strand (participates in β ladder)trans-81.6166176.763.50000111.8K46 L47 Q68 N69 K70 I72K46-T66 CarbonylContact O-C 3.44Å; K46-T66 WeakPolarHBondContact O-CA 3.12Å; K46-T66 VanDerWaalsContact O-CB 3.29Å; K46-T66 WeakPolarHBondContact O-CB 3.43Å; L47-T66 HydrophobicContact CD2-CG2 4.28Å; T66-Q68 PolarHBondContact O-N 2.05Å; T66-Q68 VanDerWaalsContact O-N 3.13Å; T66-Q68 PolarHBondContact OG1-N 3.45Å; T66-N69 WeakPolarHBondContact O-CA 3.2Å; T66-N69 PolarHBondContact O-N 3.11Å; T66-K70 HydrophobicContact CG2-CB 4.48Å; T66-K70 PolarHBondContact N-O 3.25Å; T66-K70 WeakPolarHBondContact OG1-CB 3.44Å; T66-K70 PolarHBondContact OG1-N 3.45Å; T66-K70 PolarHBondContact OG1-O 3.04Å; T66-I72 HydrophobicContact CG2-CD1 3.8Å; T66-I72 HydrophobicContact CG2-CG1 4.44Å
67V96.9Very high96.7Very high90 Ų9054 Ų5455%0.54530%0.295SS..THydrogen-bonded Turntrans-58.2-23172-63.40000113.3K46 K48 N69K46-V67 PolarHBondContact O-N 3.14Å; K48-V67 HydrophobicContact CB-CG1 4.12Å; V67-N69 VanDerWaalsContact C-N 3.26Å; V67-N69 PolarHBondContact O-N 2.61Å
68Q97.1Very high96.9Very high123 Ų12356.7 Ų56.758%0.57531%0.308SS*.THydrogen-bonded Turntrans-88.615.1173.4-63.6-178-5.300112.8T66 K70T66-Q68 PolarHBondContact O-N 2.05Å; T66-Q68 VanDerWaalsContact O-N 3.13Å; T66-Q68 PolarHBondContact OG1-N 3.45Å; Q68-K70 HydrophobicContact CB-CG 4.37Å; Q68-K70 PolarHBondContact O-N 3.43Å; Q68-K70 VanDerWaalsContact O-N 3.1Å
69N96.3Very high97.1Very high118 Ų11859.9 Ų59.963%0.63131%0.308SS*.  trans56.622.2-176.6-61.6-34.7000114.8T66 V67T66-N69 WeakPolarHBondContact O-CA 3.2Å; T66-N69 PolarHBondContact O-N 3.11Å; V67-N69 VanDerWaalsContact C-N 3.26Å; V67-N69 PolarHBondContact O-N 2.61Å
70K96.6Very high97.2Very high127 Ų12761.2 Ų61.255%0.55232%0.317SS*.  trans-80.3128.7171.2-58.7179.6176.9171.30110T66 Q68T66-K70 HydrophobicContact CG2-CB 4.48Å; T66-K70 PolarHBondContact N-O 3.25Å; T66-K70 WeakPolarHBondContact OG1-CB 3.44Å; T66-K70 PolarHBondContact OG1-N 3.45Å; T66-K70 PolarHBondContact OG1-O 3.04Å; Q68-K70 HydrophobicContact CB-CG 4.37Å; Q68-K70 PolarHBondContact O-N 3.43Å; Q68-K70 VanDerWaalsContact O-N 3.1Å
71A96.8Very high97.3Very high53 Ų5357 Ų5744%0.43830%0.295SS..EExtended strand (participates in β ladder)trans-84.9137.3173.800000111.3V63 F64V63-A71 HydrophobicContact CG1-CB 3.79Å; F64-A71 CarbonylContact O-C 3.52Å; F64-A71 WeakPolarHBondContact O-CA 3.42Å
72I97.7Very high97.2Very high16 Ų1661.9 Ų61.98%0.08232%0.316CS..EExtended strand (participates in β ladder)trans-127.2100.2179.2-54.7177.1000108.6F38 P43 V63 F64 T66 S74F38-I72 HydrophobicContact CB-CG2 3.61Å; F38-I72 HydrophobicContact CD1-CG2 3.58Å; F38-I72 HydrophobicContact CE1-CG2 4.35Å; F38-I72 HydrophobicContact CG-CG2 3.68Å; P43-I72 HydrophobicContact CG-CD1 4.17Å; V63-I72 WeakPolarHBondContact CA-O 3.02Å; F64-I72 HydrophobicContact CB-CB 4.3Å; F64-I72 PolarHBondContact N-O 3.45Å; F64-I72 PolarHBondContact O-N 3.49Å; T66-I72 HydrophobicContact CG2-CD1 3.8Å; T66-I72 HydrophobicContact CG2-CG1 4.44Å; I72-S74 PolarHBondContact O-N 3.06Å; I72-S74 PolarHBondContact O-OG 2.83Å; I72-S74 VanDerWaalsContact O-OG 3.13Å
73C98Very high97.1Very high27 Ų2768.4 Ų68.418%0.18234%0.344CS..EExtended strand (participates in β ladder)trans-64124.1172.3-74.10000111.1C34 K36 F38C34-C73 VanDerWaalsContact CA-SG 3.6Å; C34-C73 HydrophobicContact CB-CB 3.63Å; C34-C73 WeakPolarHBondContact CB-SG 3.4Å; C34-C73 VanDerWaalsContact SG-CA 3.58Å; C34-C73 WeakPolarHBondContact SG-CB 3.35Å; C34-C73 CovalentContact SG-SG 2.04Å; C34-C73 PolarHBondContact SG-SG 2.7Å; K36-C73 VanDerWaalsContact O-CB 3.3Å; K36-C73 WeakPolarHBondContact O-CB 3.32Å; F38-C73 WeakPolarHBondContact CB-O 3.12Å; F38-C73 PolarHBondContact N-O 3.04Å
74S98Very high97.1Very high5 Ų568.4 Ų68.44%0.03534%0.344CS..EExtended strand (participates in β ladder)trans-136.7146.9-174.2-46.90000112.2A61 I62 F64 I72 P76 V81A61-S74 WeakPolarHBondContact CA-O 3.42Å; I62-S74 PolarHBondContact N-O 3.02Å; I62-S74 WeakPolarHBondContact O-CA 3.3Å; I62-S74 WeakPolarHBondContact O-CB 3.39Å; I62-S74 PolarHBondContact O-N 3.42Å; F64-S74 WeakPolarHBondContact CD2-OG 3.08Å; I72-S74 PolarHBondContact O-N 3.06Å; I72-S74 PolarHBondContact O-OG 2.83Å; I72-S74 VanDerWaalsContact O-OG 3.13Å; S74-P76 WeakPolarHBondContact O-CD 3.31Å; S74-V81 VanDerWaalsContact CB-CG2 3.49Å
75D97.9Very high97Very high50 Ų5069.6 Ų69.627%0.26735%0.35SS..  trans-71.6119.9177.9-175.3-16.4000110.5Y37 N77 D78 V81Y37-D75 HydrophobicContact CD1-CB 4.36Å; Y37-D75 HydrophobicContact CD2-CB 3.73Å; Y37-D75 HydrophobicContact CE1-CB 4.35Å; Y37-D75 HydrophobicContact CE2-CB 3.72Å; Y37-D75 HydrophobicContact CG-CB 4.07Å; D75-N77 PolarHBondContact O-N 2.89Å; D75-N77 VanDerWaalsContact O-N 3.1Å; D75-N77 WeakPolarHBondContact OD1-CB 3.45Å; D75-N77 PolarHBondContact OD1-N 2.71Å; D75-N77 PolarHBondContact OD1-ND2 3.4Å; D75-D78 HydrophobicContact CB-CB 4.25Å; D75-D78 PolarHBondContact O-N 3.35Å; D75-D78 VanDerWaalsContact O-N 3.14Å; D75-V81 WeakPolarHBondContact O-CB 3.14Å; D75-V81 VanDerWaalsContact O-CG2 3.32Å; D75-V81 WeakPolarHBondContact O-CG2 2.98Å
76P97.2Very high97Very high29 Ų2975.5 Ų75.519%0.18837%0.374CS..THydrogen-bonded Turntrans-58.2-23.9178-20.331.3000113.8D60 I62 S74 K82D60-P76 HydrophobicContact CB-CG 4.02Å; D60-P76 WeakPolarHBondContact O-CD 3.46Å; I62-P76 HydrophobicContact CG1-CB 4.15Å; I62-P76 HydrophobicContact CG1-CG 4.19Å; S74-P76 WeakPolarHBondContact O-CD 3.31Å; P76-K82 WeakPolarHBondContact O-CE 3.38Å
77N96.6Very high96.9Very high119 Ų11979 Ų7964%0.63639%0.386SS*.THydrogen-bonded Turntrans-84.5-16.9-177.9-63.2-57000113.4D75 K79D75-N77 PolarHBondContact O-N 2.89Å; D75-N77 VanDerWaalsContact O-N 3.1Å; D75-N77 WeakPolarHBondContact OD1-CB 3.45Å; D75-N77 PolarHBondContact OD1-N 2.71Å; D75-N77 PolarHBondContact OD1-ND2 3.4Å; N77-K79 PolarHBondContact O-N 3.35Å
78D97.1Very high96.8Very high66 Ų6675 Ų7535%0.35336%0.362SS..  trans-67.5129.1179.4-173.6-24.5000111.1D75 K80 V81 K82D75-D78 HydrophobicContact CB-CB 4.25Å; D75-D78 PolarHBondContact O-N 3.35Å; D75-D78 VanDerWaalsContact O-N 3.14Å; D78-K80 PolarHBondContact O-N 2.72Å; D78-K80 WeakPolarHBondContact OD1-CB 3.44Å; D78-K80 PolarHBondContact OD1-N 3.29Å; D78-V81 HydrophobicContact CB-CB 4.23Å; D78-V81 HydrophobicContact CB-CG2 3.84Å; D78-V81 WeakPolarHBondContact O-CB 3.35Å; D78-V81 PolarHBondContact O-N 3.08Å; D78-V81 VanDerWaalsContact O-N 3.09Å; D78-K82 PolarHBondContact O-N 3.3Å; D78-K82 VanDerWaalsContact O-N 3.07Å
79K96.3Very high96.7Very high180 Ų18072.9 Ų72.978%0.78335%0.352SS*.Hα-helixtrans-57.2-34.6177.1-63.5-177.3-177.9178.80112.5N77 K82 K83N77-K79 PolarHBondContact O-N 3.35Å; K79-K82 PolarHBondContact O-N 3.48Å; K79-K83 PolarHBondContact O-N 3.45Å
80K95.3Very high96.7Very high149 Ų14970.4 Ų70.465%0.64834%0.344SS*.Hα-helixtrans-67.8-37.7177.4-64.5175.4-176.2170.50111.5I42 D78 K83 A84I42-K80 HydrophobicContact CD1-CB 4.44Å; D78-K80 PolarHBondContact O-N 2.72Å; D78-K80 WeakPolarHBondContact OD1-CB 3.44Å; D78-K80 PolarHBondContact OD1-N 3.29Å; K80-K83 PolarHBondContact O-N 3.39Å; K80-A84 PolarHBondContact O-N 3.43Å
81V97.6Very high96.4Very high2 Ų268.5 Ų68.51%0.01234%0.339CS..Hα-helixtrans-65.5-46.4175.5173.90000110.1I42 I62 F64 S74 D75 D78 K83 A84 L85I42-V81 HydrophobicContact CD1-CB 4.5Å; I42-V81 HydrophobicContact CD1-CG2 3.65Å; I62-V81 HydrophobicContact CB-CG1 4.05Å; I62-V81 HydrophobicContact CG1-CG1 4.22Å; I62-V81 HydrophobicContact CG2-CG1 4.35Å; F64-V81 HydrophobicContact CE2-CB 4.4Å; F64-V81 HydrophobicContact CE2-CG1 3.88Å; F64-V81 HydrophobicContact CE2-CG2 4.3Å; F64-V81 HydrophobicContact CZ-CG1 3.84Å; S74-V81 VanDerWaalsContact CB-CG2 3.49Å; D75-V81 WeakPolarHBondContact O-CB 3.14Å; D75-V81 VanDerWaalsContact O-CG2 3.32Å; D75-V81 WeakPolarHBondContact O-CG2 2.98Å; D78-V81 HydrophobicContact CB-CB 4.23Å; D78-V81 HydrophobicContact CB-CG2 3.84Å; D78-V81 WeakPolarHBondContact O-CB 3.35Å; D78-V81 PolarHBondContact O-N 3.08Å; D78-V81 VanDerWaalsContact O-N 3.09Å; V81-K83 VanDerWaalsContact C-N 3.28Å; V81-K83 PolarHBondContact O-N 3.41Å; V81-A84 WeakPolarHBondContact O-CB 3.41Å; V81-A84 PolarHBondContact O-N 2.89Å; V81-A84 VanDerWaalsContact O-N 3.1Å; V81-L85 HydrophobicContact CG1-CD1 4.3Å; V81-L85 PolarHBondContact O-N 3.5Å
82K97.3Very high95.8Very high102 Ų10272.8 Ų72.844%0.44335%0.35SS..Hα-helixtrans-59.2-37.9174.5-66.1177.8-177.2177.40112.5P76 D78 K79 K86P76-K82 WeakPolarHBondContact O-CE 3.38Å; D78-K82 PolarHBondContact O-N 3.3Å; D78-K82 VanDerWaalsContact O-N 3.07Å; K79-K82 PolarHBondContact O-N 3.48Å; K82-K86 WeakPolarHBondContact O-CG 3.44Å; K82-K86 PolarHBondContact O-N 2.96Å; K82-K86 VanDerWaalsContact O-N 3.12Å
83K96.3Very high94.9Very high147 Ų14782.5 Ų82.564%0.63939%0.386SS*.Hα-helixtrans-66.7-41.8174.6-171.7176.3-178.9177.30111.9K79 K80 V81 K86 Y87K79-K83 PolarHBondContact O-N 3.45Å; K80-K83 PolarHBondContact O-N 3.39Å; V81-K83 VanDerWaalsContact C-N 3.28Å; V81-K83 PolarHBondContact O-N 3.41Å; K83-K86 PolarHBondContact O-N 2.98Å; K83-Y87 PolarHBondContact O-N 2.98Å
84A97.1Very high93.3Very high0 Ų088.7 Ų88.70%043%0.43CS..Hα-helixtrans-64.4-40.5176.800000112.5I42 L44 L47 F64 K80 V81 Y87 L88I42-A84 HydrophobicContact CG2-CB 4.13Å; L44-A84 HydrophobicContact CD2-CB 3.44Å; L44-A84 VanDerWaalsContact CD2-CB 3.44Å; L47-A84 HydrophobicContact CD1-CB 4.03Å; F64-A84 HydrophobicContact CE1-CB 3.92Å; F64-A84 HydrophobicContact CE2-CB 4.13Å; F64-A84 HydrophobicContact CZ-CB 3.56Å; K80-A84 PolarHBondContact O-N 3.43Å; V81-A84 WeakPolarHBondContact O-CB 3.41Å; V81-A84 PolarHBondContact O-N 2.89Å; V81-A84 VanDerWaalsContact O-N 3.1Å; A84-Y87 WeakPolarHBondContact O-CB 3.28Å; A84-Y87 PolarHBondContact O-N 3.46Å; A84-L88 PolarHBondContact O-N 3.35Å
85L97.1Very high93Very high25 Ų2592.9 Ų92.913%0.13145%0.449CS..Hα-helixtrans-58.1-50.9172.5-80164.9000111.8W50 I62 F64 V81 Y87 L88 Q89W50-L85 HydrophobicContact CB-CD2 4.32Å; W50-L85 HydrophobicContact CD2-CD2 3.21Å; W50-L85 VanDerWaalsContact CE2-CD2 3.42Å; W50-L85 HydrophobicContact CE3-CD2 3.55Å; W50-L85 HydrophobicContact CG-CD2 3.56Å; W50-L85 HydrophobicContact CH2-CD2 4.21Å; W50-L85 HydrophobicContact CZ2-CD2 3.93Å; W50-L85 HydrophobicContact CZ3-CD2 4.03Å; I62-L85 HydrophobicContact CG1-CD1 4.26Å; I62-L85 HydrophobicContact CG2-CD1 4.48Å; I62-L85 HydrophobicContact CG2-CD2 4.1Å; I62-L85 HydrophobicContact CG2-CG 4.41Å; F64-L85 HydrophobicContact CE1-CD2 4.28Å; F64-L85 HydrophobicContact CE1-CG 4.19Å; F64-L85 HydrophobicContact CZ-CG 4.17Å; V81-L85 HydrophobicContact CG1-CD1 4.3Å; V81-L85 PolarHBondContact O-N 3.5Å; L85-Y87 VanDerWaalsContact C-N 3.28Å; L85-Y87 PolarHBondContact O-N 3Å; L85-L88 PolarHBondContact O-N 3.35Å; L85-Q89 WeakPolarHBondContact O-CB 3.42Å; L85-Q89 VanDerWaalsContact O-CG 3.29Å; L85-Q89 WeakPolarHBondContact O-CG 3.37Å; L85-Q89 PolarHBondContact O-N 3.34Å
86K96.6Very high92.8Very high148 Ų14895.2 Ų95.264%0.64346%0.459SS*.Hα-helixtrans-58.7-40.3177.4-72.6-179.9-179.2-171.90112.3K82 K83 Q89 S90K82-K86 WeakPolarHBondContact O-CG 3.44Å; K82-K86 PolarHBondContact O-N 2.96Å; K82-K86 VanDerWaalsContact O-N 3.12Å; K83-K86 PolarHBondContact O-N 2.98Å; K86-Q89 PolarHBondContact O-N 3.07Å; K86-S90 WeakPolarHBondContact O-CB 3.42Å; K86-S90 PolarHBondContact O-N 3.34Å
87Y95.2Very high92.5Very high82 Ų8298.8 Ų98.832%0.32247%0.474SS..Hα-helixtrans-59.4-53175.2172.2-106.8000111.2L44 K83 A84 L85 Q89 S90 L91L44-Y87 HydrophobicContact CB-CD1 4.33Å; L44-Y87 HydrophobicContact CB-CE1 4.36Å; L44-Y87 HydrophobicContact CD2-CD1 4.39Å; L44-Y87 VanDerWaalsContact O-CE1 3.31Å; L44-Y87 WeakPolarHBondContact O-CE1 3.32Å; K83-Y87 PolarHBondContact O-N 2.98Å; A84-Y87 WeakPolarHBondContact O-CB 3.28Å; A84-Y87 PolarHBondContact O-N 3.46Å; L85-Y87 VanDerWaalsContact C-N 3.28Å; L85-Y87 PolarHBondContact O-N 3Å; Y87-Q89 PolarHBondContact O-N 3.45Å; Y87-S90 PolarHBondContact O-N 3.46Å; Y87-S90 VanDerWaalsContact O-N 3.17Å; Y87-S90 PolarHBondContact O-OG 3Å; Y87-L91 HydrophobicContact CD1-CD1 4.35Å; Y87-L91 HydrophobicContact CE1-CD1 3.73Å; Y87-L91 HydrophobicContact CE2-CD1 4.25Å; Y87-L91 HydrophobicContact CE2-CD2 4.48Å; Y87-L91 HydrophobicContact CE2-CG 4.44Å; Y87-L91 PolarHBondContact O-N 3.02Å
88L95.9Very high92.3Very high7 Ų797.6 Ų97.64%0.03747%0.465CS..Hα-helixtrans-60.7-42.4177.9-74.1173.7000112.6L47 W50 F64 A84 L85 S90 L91 Q92L47-L88 HydrophobicContact CB-CD1 4.1Å; L47-L88 HydrophobicContact CB-CD2 3.79Å; L47-L88 HydrophobicContact CB-CG 4.23Å; L47-L88 HydrophobicContact CD1-CD1 4.05Å; L47-L88 HydrophobicContact CD1-CG 4.38Å; W50-L88 HydrophobicContact CB-CD1 4.11Å; W50-L88 HydrophobicContact CG-CD1 4.3Å; F64-L88 HydrophobicContact CD1-CD1 3.79Å; F64-L88 HydrophobicContact CE1-CD1 4.01Å; A84-L88 PolarHBondContact O-N 3.35Å; L85-L88 PolarHBondContact O-N 3.35Å; L88-S90 VanDerWaalsContact C-N 3.28Å; L88-S90 PolarHBondContact O-N 3.48Å; L88-L91 PolarHBondContact O-N 3.11Å; L88-Q92 PolarHBondContact O-N 3.48Å
89Q95.1Very high92Very high78 Ų7899.6 Ų99.636%0.36447%0.472SS..Hα-helixtrans-62.5-34.9176.7-72.9171.4-17.200112.5L85 K86 Y87 L91 Q92L85-Q89 WeakPolarHBondContact O-CB 3.42Å; L85-Q89 VanDerWaalsContact O-CG 3.29Å; L85-Q89 WeakPolarHBondContact O-CG 3.37Å; L85-Q89 PolarHBondContact O-N 3.34Å; K86-Q89 PolarHBondContact O-N 3.07Å; Y87-Q89 PolarHBondContact O-N 3.45Å; Q89-L91 VanDerWaalsContact C-N 3.32Å; Q89-Q92 PolarHBondContact O-N 3.45Å
90S94.8Very high91.7Very high66 Ų6694.3 Ų94.346%0.46245%0.451SS..Hα-helixtrans-68-33.3176.574.10000112.4K86 Y87 L88 R93K86-S90 WeakPolarHBondContact O-CB 3.42Å; K86-S90 PolarHBondContact O-N 3.34Å; Y87-S90 PolarHBondContact O-N 3.46Å; Y87-S90 VanDerWaalsContact O-N 3.17Å; Y87-S90 PolarHBondContact O-OG 3Å; L88-S90 VanDerWaalsContact C-N 3.28Å; L88-S90 PolarHBondContact O-N 3.48Å; S90-R93 PolarHBondContact O-N 2.98Å
91L91.1Very high91.4Very high88 Ų8890.4 Ų90.446%0.46144%0.437SS..Hα-helixtrans-72.3-29.3176.2-63.4178.3000113Y87 L88 Q89 R93Y87-L91 HydrophobicContact CD1-CD1 4.35Å; Y87-L91 HydrophobicContact CE1-CD1 3.73Å; Y87-L91 HydrophobicContact CE2-CD1 4.25Å; Y87-L91 HydrophobicContact CE2-CD2 4.48Å; Y87-L91 HydrophobicContact CE2-CG 4.44Å; Y87-L91 PolarHBondContact O-N 3.02Å; L88-L91 PolarHBondContact O-N 3.11Å; Q89-L91 VanDerWaalsContact C-N 3.32Å; L91-R93 VanDerWaalsContact C-N 3.29Å
92Q84.7Confident91Very high143 Ų14397.2 Ų97.267%0.66847%0.469SS*.Hα-helixtrans-77.1-15.1178.1-68.9-173.6-63.600113.8L88 Q89L88-Q92 PolarHBondContact O-N 3.48Å; Q89-Q92 PolarHBondContact O-N 3.45Å
93R78.8Confident90.5Very high219 Ų21996.8 Ų96.883%0.82647%0.472SS*.THydrogen-bonded Turntrans-97.8-9.2-179.7-70.6-179.8179.2-179.9-0.5113.3S90 L91S90-R93 PolarHBondContact O-N 2.98Å; L91-R93 VanDerWaalsContact C-N 3.29Å
94S63Low89.9Confident158 Ų15892.2 Ų92.2100%1.10546%0.456SS*.  trans-91.90175.9-1760000110.9

Retrieved 94 of 94 residues in 148.5 ms (Link to these results)