A0A096LP32_HUMAN Loading...

Cyclin dependent kinase like 5

AlphaFold DB , UniProt , Accession A0A096LP32, Species HUMAN (Homo sapiens, Human), Gene CDKL5, Length 68 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
1M38.8Very low58.3Low242 Ų242127.7 Ų127.7100%1.19269%0.689SS**  0108.60-130.3169.5176.700106.9I3M1-I3 PolarHBondContact O-N 2.89Å
2K35.3Very low61.2Low211 Ų211126.3 Ų126.392%0.91767%0.672SS**PPolyproline II helixtrans-77.2122.7-178.4-73.3-179.5177.2179.60108.5
3I48.3Very low63.9Low146 Ų146119.8 Ų119.875%0.74963%0.634SS**PPolyproline II helixtrans-62.1124.1172.2-56.3168.7000106.4M1 N5M1-I3 PolarHBondContact O-N 2.89Å; I3-N5 PolarHBondContact O-N 3.13Å
4P48.3Very low66.2Low109 Ų109118.2 Ų118.271%0.70862%0.621SS**PPolyproline II helixtrans-59.5139.1-179.322.1-30.4000109.9I6P4-I6 PolarHBondContact O-N 3.01Å
5N49.1Very low68.2Low143 Ų143117 Ų11777%0.76561%0.614SS**  trans-55.8107.1-178.2-170.2-25.8000110.1I3 G7I3-N5 PolarHBondContact O-N 3.13Å; N5-G7 PolarHBondContact O-N 3.43Å; N5-G7 VanDerWaalsContact O-N 3.09Å; N5-G7 PolarHBondContact OD1-N 2.8Å; N5-G7 VanDerWaalsContact OD1-N 3.12Å
6I54.5Low69.9Low131 Ų131114.1 Ų114.167%0.67260%0.599SS**G310 helixtrans-60.5-16.4-178.7-77.7161.2000112.3P4 N8 V9P4-I6 PolarHBondContact O-N 3.01Å; I6-N8 PolarHBondContact O-N 3.34Å; I6-V9 PolarHBondContact O-N 2.81Å
7G52.7Low71.5Confident58 Ų58109.1 Ų109.160%0.59858%0.581SS**G310 helixtrans-58.1-10.3179.700000115.7N5N5-G7 PolarHBondContact O-N 3.43Å; N5-G7 VanDerWaalsContact O-N 3.09Å; N5-G7 PolarHBondContact OD1-N 2.8Å; N5-G7 VanDerWaalsContact OD1-N 3.12Å
8N62.5Low72.9Confident109 Ų109108.4 Ų108.458%0.58358%0.581SS**G310 helixtrans-112.6-5.7-177.5-147.33.5000115.7I6 N11I6-N8 PolarHBondContact O-N 3.34Å; N8-N11 PolarHBondContact OD1-ND2 2.86Å
9V77.5Confident74.1Confident81 Ų81107.9 Ų107.949%0.49158%0.582SS.*THydrogen-bonded Turntrans-72.4-43.2-176.9177.90000111.2I6 N11 K12 F13I6-V9 PolarHBondContact O-N 2.81Å; V9-N11 PolarHBondContact O-N 3.48Å; V9-K12 PolarHBondContact O-N 2.85Å; V9-F13 HydrophobicContact CG1-CE2 4.18Å; V9-F13 VanDerWaalsContact O-CD2 3.32Å; V9-F13 WeakPolarHBondContact O-CD2 3.37Å; V9-F13 WeakPolarHBondContact O-CE2 3.18Å
10M85.4Confident75.1Confident78 Ų78104.1 Ų104.138%0.38457%0.569SS.*G310 helixtrans-66.8-22.5-177.9-71-55.5-60.200113.5K12 F13 I41M10-K12 PolarHBondContact O-N 2.81Å; M10-F13 PolarHBondContact O-N 2.82Å; M10-F13 VanDerWaalsContact O-N 3.07Å; M10-I41 HydrophobicContact CE-CD1 3.97Å; M10-I41 HydrophobicContact CE-CG2 4.37Å; M10-I41 HydrophobicContact SD-CD1 3.94Å; M10-I41 HydrophobicContact SD-CG2 4.02Å
11N89Confident76.1Confident97 Ų97105.6 Ų105.652%0.51957%0.573SS.*G310 helixtrans-63.6-23177.8-71.2-24.1000113.2N8 V9 F13 K33N8-N11 PolarHBondContact OD1-ND2 2.86Å; V9-N11 PolarHBondContact O-N 3.48Å; N11-F13 PolarHBondContact O-N 3.41Å; N11-K33 WeakPolarHBondContact O-CD 3.39Å; N11-K33 WeakPolarHBondContact O-CE 3.35Å; N11-K33 PolarHBondContact O-NZ 2.88Å
12K93.4Very high78.4Confident111 Ų11196 Ų9648%0.48354%0.536SS..G310 helixtrans-76-9.8177.3-59.1-171.9176.4-167.30113.5V9 M10 H32 K33V9-K12 PolarHBondContact O-N 2.85Å; M10-K12 PolarHBondContact O-N 2.81Å; K12-H32 PolarHBondContact O-CD2 2.88Å; K12-K33 WeakPolarHBondContact O-CB 3.41Å; K12-K33 WeakPolarHBondContact O-CG 3.48Å; K12-K33 PolarHBondContact O-N 3.43Å
13F95.6Very high80.6Confident41 Ų4189.8 Ų89.818%0.1852%0.524CS..EExtended strand (participates in β ladder)trans-119.8141.3-173.5-58.8-86.3000111V9 M10 N11 C30 R31 H32 K33 V39 I41V9-F13 HydrophobicContact CG1-CE2 4.18Å; V9-F13 VanDerWaalsContact O-CD2 3.32Å; V9-F13 WeakPolarHBondContact O-CD2 3.37Å; V9-F13 WeakPolarHBondContact O-CE2 3.18Å; M10-F13 PolarHBondContact O-N 2.82Å; M10-F13 VanDerWaalsContact O-N 3.07Å; N11-F13 PolarHBondContact O-N 3.41Å; F13-C30 HydrophobicContact CB-CB 4.12Å; F13-C30 HydrophobicContact CD1-CB 4.45Å; F13-R31 CarbonylContact C-O 3.55Å; F13-R31 VanDerWaalsContact CA-O 3.31Å; F13-R31 WeakPolarHBondContact CA-O 3.44Å; F13-H32 HydrophobicContact CD1-CB 3.93Å; F13-H32 AromaticContact CD1-CD2 3.86Å; F13-H32 HydrophobicContact CE1-CB 3.79Å; F13-H32 AromaticContact CE1-CD2 3.39Å; F13-H32 WeakPolarHBondContact CE1-CD2 3.43Å; F13-H32 AromaticContact CE1-CG 3.94Å; F13-H32 AromaticContact CZ-CD2 3.64Å; F13-K33 WeakPolarHBondContact O-CE 3.47Å; F13-V39 HydrophobicContact CD1-CG2 3.79Å; F13-V39 HydrophobicContact CE1-CG2 3.75Å; F13-I41 HydrophobicContact CB-CD1 4.11Å; F13-I41 HydrophobicContact CD1-CD1 4Å; F13-I41 HydrophobicContact CD2-CD1 3.91Å; F13-I41 HydrophobicContact CE1-CD1 4.41Å; F13-I41 HydrophobicContact CE2-CD1 4.33Å; F13-I41 HydrophobicContact CG-CD1 3.73Å
14E96.2Very high82.3Confident98 Ų9889 Ų8946%0.45851%0.512SS..EExtended strand (participates in β ladder)trans-96.4127.9166.8178.6-173.4-163.800108.3L16 C30 R31 K33E14-L16 HydrophobicContact CG-CD2 4.19Å; E14-L16 PolarHBondContact O-N 2.81Å; E14-C30 CarbonylContact O-C 3.45Å; E14-C30 WeakPolarHBondContact O-CA 3.32Å; E14-C30 WeakPolarHBondContact O-CB 3.31Å; E14-R31 HydrophobicContact CB-CB 4.4Å; E14-R31 PolarHBondContact N-O 3.26Å; E14-R31 PolarHBondContact O-N 3.37Å; E14-K33 HydrophobicContact CB-CG 4.48Å
15I95.8Very high84.2Confident100 Ų10084 Ų8451%0.51348%0.48SS..EExtended strand (participates in β ladder)trans-82.8117.6177.6-60.1169.1000108L28I15-L28 HydrophobicContact CD1-CD1 4.11Å; I15-L28 HydrophobicContact CG1-CD1 4.41Å; I15-L28 HydrophobicContact CG2-CD2 4.4Å
16L96.8Very high86.2Confident70 Ų7078.7 Ų78.737%0.36645%0.453SS..EExtended strand (participates in β ladder)trans-90.8-23178.4-58-177.9000112.4E14 K29 R31 I38E14-L16 HydrophobicContact CG-CD2 4.19Å; E14-L16 PolarHBondContact O-N 2.81Å; L16-K29 HydrophobicContact CB-CB 4.48Å; L16-K29 HydrophobicContact CB-CG 4.27Å; L16-K29 WeakPolarHBondContact CB-O 3.44Å; L16-K29 HydrophobicContact CD1-CD 4.5Å; L16-K29 HydrophobicContact CD1-CG 4.3Å; L16-K29 PolarHBondContact N-O 2.66Å; L16-R31 HydrophobicContact CD1-CB 4.1Å; L16-R31 HydrophobicContact CD2-CB 4.34Å; L16-R31 HydrophobicContact CG-CB 4.27Å; L16-I38 HydrophobicContact CD1-CD1 3.72Å
17G96.4Very high88.1Confident29 Ų2974.5 Ų74.530%0.29943%0.434SS..EExtended strand (participates in β ladder)trans160.7-178.2176.900000113.2L28 K29G17-L28 CarbonylContact O-C 3.59Å; G17-L28 WeakPolarHBondContact O-CA 3.45Å; G17-K29 PolarHBondContact N-O 2.95Å; G17-K29 PolarHBondContact O-N 2.86Å
18V96.9Very high90.2Very high97 Ų9772.8 Ų72.859%0.58841%0.411SS*.EExtended strand (participates in β ladder)trans-91131.1174177.20000109V26 L28V18-V26 HydrophobicContact CB-CG1 4.46Å; V18-V26 HydrophobicContact CG1-CG1 3.63Å; V18-V26 HydrophobicContact CG2-CG1 4.06Å; V18-L28 HydrophobicContact CG2-CD2 3.87Å
19V96.2Very high91.8Very high99 Ų9972.3 Ų72.360%0.640%0.403SS*.EExtended strand (participates in β ladder)trans-87.2-39.3172.2-1790000110.4V27 K29V19-V27 HydrophobicContact CB-CB 4.31Å; V19-V27 HydrophobicContact CB-CG1 4.08Å; V19-V27 HydrophobicContact CG2-CG1 4.4Å; V19-V27 PolarHBondContact N-O 3.4Å; V19-K29 HydrophobicContact CG2-CB 3.62Å
20G94.3Very high92.7Very high31 Ų3168.4 Ų68.432%0.3238%0.38SS..EExtended strand (participates in β ladder)trans-176.1159.2178.200000112.8V27G20-V27 PolarHBondContact N-O 3.33Å; G20-V27 PolarHBondContact O-N 2.9Å
21E94.4Very high93.3Very high137 Ų13768.6 Ų68.664%0.6438%0.376SS*.EExtended strand (participates in β ladder)trans-118.9136.8174178.6171.8176.500109.5V26 K45E21-V26 HydrophobicContact CB-CG2 4.31Å; E21-V26 HydrophobicContact CG-CG2 4.02Å; E21-K45 WeakPolarHBondContact OE1-CE 3.33Å; E21-K45 IonicContact OE1-NZ 2.74Å; E21-K45 PolarHBondContact OE1-NZ 3.39Å
22G87.1Confident93.7Very high41 Ų4165.3 Ų65.342%0.42336%0.358SS..EExtended strand (participates in β ladder)trans-128.9-176.5173.800000112.1Y24 G25 K45G22-Y24 PolarHBondContact O-N 3.28Å; G22-G25 PolarHBondContact N-O 2.85Å; G22-G25 PolarHBondContact O-N 2.87Å; G22-K45 PolarHBondContact O-NZ 3.34Å
23A83Confident93.8Very high80 Ų8065.4 Ų65.466%0.66136%0.358SS*.THydrogen-bonded Turntrans-54.7-37.1179.400000112.6
24Y82.6Confident93.8Very high129 Ų12970.7 Ų70.751%0.50638%0.383SS..THydrogen-bonded Turntrans-99.8-9.4-170.8-55.6-71.1000114.9G22 F44 K45 V53G22-Y24 PolarHBondContact O-N 3.28Å; Y24-F44 WeakPolarHBondContact O-CA 3.32Å; Y24-K45 PolarHBondContact O-N 3Å; Y24-V53 HydrophobicContact CD1-CG1 3.81Å; Y24-V53 HydrophobicContact CE1-CG1 3.91Å; Y24-V53 HydrophobicContact CE1-CG2 4.34Å
25G88.4Confident93.8Very high4 Ų470 Ų704%0.04139%0.386CS..EExtended strand (participates in β ladder)trans167.9179.4-169.900000115.1G22 K43G22-G25 PolarHBondContact N-O 2.85Å; G22-G25 PolarHBondContact O-N 2.87Å; G25-K43 CarbonylContact C-O 3.47Å; G25-K43 WeakPolarHBondContact CA-O 3.49Å
26V92.1Very high93.8Very high32 Ų3271.2 Ų71.219%0.19439%0.389CS..EExtended strand (participates in β ladder)trans-115.9133.5177.3-177.70000108.9V18 E21 L28 K43V18-V26 HydrophobicContact CB-CG1 4.46Å; V18-V26 HydrophobicContact CG1-CG1 3.63Å; V18-V26 HydrophobicContact CG2-CG1 4.06Å; E21-V26 HydrophobicContact CB-CG2 4.31Å; E21-V26 HydrophobicContact CG-CG2 4.02Å; V26-L28 HydrophobicContact CG1-CD2 3.93Å; V26-K43 PolarHBondContact N-O 3.34Å; V26-K43 PolarHBondContact O-N 3.26Å
27V94.3Very high93.8Very high43 Ų4373.7 Ų73.726%0.26140%0.399SS..EExtended strand (participates in β ladder)trans-95.9120.3172.2-176.60000108.6V19 G20 A40 K42V19-V27 HydrophobicContact CB-CB 4.31Å; V19-V27 HydrophobicContact CB-CG1 4.08Å; V19-V27 HydrophobicContact CG2-CG1 4.4Å; V19-V27 PolarHBondContact N-O 3.4Å; G20-V27 PolarHBondContact N-O 3.33Å; G20-V27 PolarHBondContact O-N 2.9Å; V27-A40 HydrophobicContact CG1-CB 4.02Å; V27-K42 HydrophobicContact CG2-CB 4.34Å; V27-K42 HydrophobicContact CG2-CG 4.16Å
28L95.8Very high93.9Very high22 Ų2276.1 Ų76.112%0.11540%0.404CS..EExtended strand (participates in β ladder)trans-100.2137.8178.3-57.2175.5000109.8I15 G17 V18 V26 A40 I41I15-L28 HydrophobicContact CD1-CD1 4.11Å; I15-L28 HydrophobicContact CG1-CD1 4.41Å; I15-L28 HydrophobicContact CG2-CD2 4.4Å; G17-L28 CarbonylContact O-C 3.59Å; G17-L28 WeakPolarHBondContact O-CA 3.45Å; V18-L28 HydrophobicContact CG2-CD2 3.87Å; V26-L28 HydrophobicContact CG1-CD2 3.93Å; L28-A40 CarbonylContact O-C 3.55Å; L28-A40 WeakPolarHBondContact O-CA 3.49Å; L28-I41 PolarHBondContact N-O 3.5Å; L28-I41 PolarHBondContact O-N 2.79Å
29K96.8Very high93.8Very high98 Ų9873.2 Ų73.243%0.42639%0.387SS..EExtended strand (participates in β ladder)trans-84122.7163.8-175.2176.5176.3174.70107.1L16 G17 V19 I38L16-K29 HydrophobicContact CB-CB 4.48Å; L16-K29 HydrophobicContact CB-CG 4.27Å; L16-K29 WeakPolarHBondContact CB-O 3.44Å; L16-K29 HydrophobicContact CD1-CD 4.5Å; L16-K29 HydrophobicContact CD1-CG 4.3Å; L16-K29 PolarHBondContact N-O 2.66Å; G17-K29 PolarHBondContact N-O 2.95Å; G17-K29 PolarHBondContact O-N 2.86Å; V19-K29 HydrophobicContact CG2-CB 3.62Å; K29-I38 HydrophobicContact CG-CG2 4.16Å
30C97.1Very high93.7Very high0 Ų072.1 Ų72.10%039%0.388CS..EExtended strand (participates in β ladder)trans-127.8156.4-179-60.30000111.1F13 E14 I38 V39 I41F13-C30 HydrophobicContact CB-CB 4.12Å; F13-C30 HydrophobicContact CD1-CB 4.45Å; E14-C30 CarbonylContact O-C 3.45Å; E14-C30 WeakPolarHBondContact O-CA 3.32Å; E14-C30 WeakPolarHBondContact O-CB 3.31Å; C30-I38 WeakPolarHBondContact O-CA 3.38Å; C30-V39 HydrophobicContact CB-CG2 3.98Å; C30-V39 PolarHBondContact N-O 3.19Å; C30-V39 PolarHBondContact O-N 3.41Å; C30-I41 HydrophobicContact CB-CD1 3.97Å; C30-I41 HydrophobicContact CB-CG1 4.24Å
31R97.5Very high93.7Very high82 Ų8272.3 Ų72.331%0.30938%0.381SS..EExtended strand (participates in β ladder)trans-109.9127.4167-175.4-177.1-58.9-805108.9F13 E14 L16 K33 H36 E37 I38F13-R31 CarbonylContact C-O 3.55Å; F13-R31 VanDerWaalsContact CA-O 3.31Å; F13-R31 WeakPolarHBondContact CA-O 3.44Å; E14-R31 HydrophobicContact CB-CB 4.4Å; E14-R31 PolarHBondContact N-O 3.26Å; E14-R31 PolarHBondContact O-N 3.37Å; L16-R31 HydrophobicContact CD1-CB 4.1Å; L16-R31 HydrophobicContact CD2-CB 4.34Å; L16-R31 HydrophobicContact CG-CB 4.27Å; R31-K33 PolarHBondContact O-N 3.34Å; R31-H36 PolarHBondContact NH1-O 2.81Å; R31-H36 VanDerWaalsContact NH1-O 3.13Å; R31-E37 CarbonylContact C-O 3.59Å; R31-E37 WeakPolarHBondContact CA-O 3.46Å; R31-I38 HydrophobicContact CB-CD1 4.22Å; R31-I38 HydrophobicContact CG-CD1 4.32Å
32H96.6Very high93.5Very high27 Ų2770.1 Ų70.113%0.12537%0.369CS..EExtended strand (participates in β ladder)trans-70.1125169-173-112.2000109.2K12 F13 E34 T35 H36 E37K12-H32 PolarHBondContact O-CD2 2.88Å; F13-H32 HydrophobicContact CD1-CB 3.93Å; F13-H32 AromaticContact CD1-CD2 3.86Å; F13-H32 HydrophobicContact CE1-CB 3.79Å; F13-H32 AromaticContact CE1-CD2 3.39Å; F13-H32 WeakPolarHBondContact CE1-CD2 3.43Å; F13-H32 AromaticContact CE1-CG 3.94Å; F13-H32 AromaticContact CZ-CD2 3.64Å; H32-E34 VanDerWaalsContact C-N 3.31Å; H32-E34 IonicContact CE1-OE2 3.99Å; H32-E34 PolarHBondContact O-N 3.18Å; H32-T35 WeakPolarHBondContact CB-OG1 3.13Å; H32-T35 WeakPolarHBondContact ND1-CG2 3.48Å; H32-T35 PolarHBondContact ND1-N 2.82Å; H32-T35 PolarHBondContact ND1-OG1 2.87Å; H32-H36 WeakPolarHBondContact O-CA 3.49Å; H32-H36 PolarHBondContact O-N 3.47Å; H32-E37 PolarHBondContact N-O 3.07Å
33K95.4Very high93.5Very high113 Ų11375 Ų7549%0.49138%0.379SS..THydrogen-bonded Turntrans-65-33.6-168.5-70.8176.5-178.6172.80113.2N11 K12 F13 E14 R31N11-K33 WeakPolarHBondContact O-CD 3.39Å; N11-K33 WeakPolarHBondContact O-CE 3.35Å; N11-K33 PolarHBondContact O-NZ 2.88Å; K12-K33 WeakPolarHBondContact O-CB 3.41Å; K12-K33 WeakPolarHBondContact O-CG 3.48Å; K12-K33 PolarHBondContact O-N 3.43Å; F13-K33 WeakPolarHBondContact O-CE 3.47Å; E14-K33 HydrophobicContact CB-CG 4.48Å; R31-K33 PolarHBondContact O-N 3.34Å
34E95.8Very high93.6Very high153 Ų15373.7 Ų73.772%0.71536%0.359SS*.THydrogen-bonded Turntrans-88.5-43.1-176.5-64.3174.6177.700112.8H32H32-E34 VanDerWaalsContact C-N 3.31Å; H32-E34 IonicContact CE1-OE2 3.99Å; H32-E34 PolarHBondContact O-N 3.18Å
35T96.9Very high93.4Very high83 Ų8371.2 Ų71.251%0.50935%0.351SS..THydrogen-bonded Turntrans-91.7-9.7-176.362.10000112.8H32 E37H32-T35 WeakPolarHBondContact CB-OG1 3.13Å; H32-T35 WeakPolarHBondContact ND1-CG2 3.48Å; H32-T35 PolarHBondContact ND1-N 2.82Å; H32-T35 PolarHBondContact ND1-OG1 2.87Å; T35-E37 PolarHBondContact O-N 2.81Å; T35-E37 WeakPolarHBondContact OG1-CB 3.35Å
36H95.3Very high92.4Very high125 Ų12578.9 Ų78.958%0.57939%0.39SS*.  trans57.68.6-172.2-61-59.3000115.8R31 H32R31-H36 PolarHBondContact NH1-O 2.81Å; R31-H36 VanDerWaalsContact NH1-O 3.13Å; H32-H36 WeakPolarHBondContact O-CA 3.49Å; H32-H36 PolarHBondContact O-N 3.47Å
37E97.8Very high90.7Very high122 Ų12281.3 Ų81.357%0.5741%0.409SS*.  trans-65.2139.3179.3-169.9179.1176.100111.2R31 H32 T35 V39R31-E37 CarbonylContact C-O 3.59Å; R31-E37 WeakPolarHBondContact CA-O 3.46Å; H32-E37 PolarHBondContact N-O 3.07Å; T35-E37 PolarHBondContact O-N 2.81Å; T35-E37 WeakPolarHBondContact OG1-CB 3.35Å; E37-V39 HydrophobicContact CG-CG1 4.15Å
38I96.8Very high88.9Confident80 Ų8082.3 Ų82.341%0.4141%0.411SS..EExtended strand (participates in β ladder)trans-88.1122.2174.3-59.3-58.7000108.7L16 K29 C30 R31L16-I38 HydrophobicContact CD1-CD1 3.72Å; K29-I38 HydrophobicContact CG-CG2 4.16Å; C30-I38 WeakPolarHBondContact O-CA 3.38Å; R31-I38 HydrophobicContact CB-CD1 4.22Å; R31-I38 HydrophobicContact CG-CD1 4.32Å
39V95.8Very high87.2Confident37 Ų3790 Ų9022%0.22445%0.446CS..EExtended strand (participates in β ladder)trans-128.6157.1-178.3-58.60000111.1F13 C30 E37 I41F13-V39 HydrophobicContact CD1-CG2 3.79Å; F13-V39 HydrophobicContact CE1-CG2 3.75Å; C30-V39 HydrophobicContact CB-CG2 3.98Å; C30-V39 PolarHBondContact N-O 3.19Å; C30-V39 PolarHBondContact O-N 3.41Å; E37-V39 HydrophobicContact CG-CG1 4.15Å; V39-I41 HydrophobicContact CG2-CD1 4.43Å; V39-I41 HydrophobicContact CG2-CG1 4.18Å
40A95.1Very high85.9Confident76 Ų7689.1 Ų89.163%0.62845%0.446SS*.EExtended strand (participates in β ladder)trans-102.2129169.100000109.8V27 L28V27-A40 HydrophobicContact CG1-CB 4.02Å; L28-A40 CarbonylContact O-C 3.55Å; L28-A40 WeakPolarHBondContact O-CA 3.49Å
41I93Very high84.8Confident34 Ų3496.5 Ų96.517%0.17448%0.48CS..EExtended strand (participates in β ladder)trans-116.1116.2176.8-59.5-174.7000108.9M10 F13 L28 C30 V39M10-I41 HydrophobicContact CE-CD1 3.97Å; M10-I41 HydrophobicContact CE-CG2 4.37Å; M10-I41 HydrophobicContact SD-CD1 3.94Å; M10-I41 HydrophobicContact SD-CG2 4.02Å; F13-I41 HydrophobicContact CB-CD1 4.11Å; F13-I41 HydrophobicContact CD1-CD1 4Å; F13-I41 HydrophobicContact CD2-CD1 3.91Å; F13-I41 HydrophobicContact CE1-CD1 4.41Å; F13-I41 HydrophobicContact CE2-CD1 4.33Å; F13-I41 HydrophobicContact CG-CD1 3.73Å; L28-I41 PolarHBondContact N-O 3.5Å; L28-I41 PolarHBondContact O-N 2.79Å; C30-I41 HydrophobicContact CB-CD1 3.97Å; C30-I41 HydrophobicContact CB-CG1 4.24Å; V39-I41 HydrophobicContact CG2-CD1 4.43Å; V39-I41 HydrophobicContact CG2-CG1 4.18Å
42K90.2Very high83.7Confident91 Ų9199.6 Ų99.640%0.39650%0.499SS..EExtended strand (participates in β ladder)trans-87.7110.8174.5-171.3171.7-179.5-178.10109.7V27 F44V27-K42 HydrophobicContact CG2-CB 4.34Å; V27-K42 HydrophobicContact CG2-CG 4.16Å; K42-F44 HydrophobicContact CD-CE1 4.11Å; K42-F44 HydrophobicContact CD-CE2 4.42Å; K42-F44 HydrophobicContact CD-CZ 3.86Å; K42-F44 HydrophobicContact CG-CE1 4.48Å; K42-F44 HydrophobicContact CG-CE2 4.24Å; K42-F44 HydrophobicContact CG-CZ 4.15Å
43K87.9Confident82.7Confident144 Ų144100 Ų10063%0.62650%0.503SS*.EExtended strand (participates in β ladder)trans-91.5115.6171.5-176.3179.7178.3-176.10108.6G25 V26G25-K43 CarbonylContact C-O 3.47Å; G25-K43 WeakPolarHBondContact CA-O 3.49Å; V26-K43 PolarHBondContact N-O 3.34Å; V26-K43 PolarHBondContact O-N 3.26Å
44F84.1Confident81.9Confident53 Ų5399 Ų9923%0.23250%0.498CS..EExtended strand (participates in β ladder)trans-76.5147.8176.7-64.3-92.2000110.9Y24 K42 E48 T57Y24-F44 WeakPolarHBondContact O-CA 3.32Å; K42-F44 HydrophobicContact CD-CE1 4.11Å; K42-F44 HydrophobicContact CD-CE2 4.42Å; K42-F44 HydrophobicContact CD-CZ 3.86Å; K42-F44 HydrophobicContact CG-CE1 4.48Å; K42-F44 HydrophobicContact CG-CE2 4.24Å; K42-F44 HydrophobicContact CG-CZ 4.15Å; F44-E48 HydrophobicContact CB-CG 4.47Å; F44-E48 WeakPolarHBondContact CB-OE1 3.47Å; F44-E48 VanDerWaalsContact CG-OE1 3.29Å; F44-E48 WeakPolarHBondContact CG-OE1 3.31Å; F44-T57 HydrophobicContact CD1-CG2 4.34Å; F44-T57 HydrophobicContact CE1-CG2 3.51Å; F44-T57 HydrophobicContact CE2-CG2 4.44Å; F44-T57 HydrophobicContact CZ-CG2 3.57Å
45K79.8Confident81.3Confident77 Ų7796.1 Ų96.134%0.33549%0.485SS..  trans-75.7144.7174.1-71.4174.3179.4176.30108.8E21 G22 Y24 S47E21-K45 WeakPolarHBondContact OE1-CE 3.33Å; E21-K45 IonicContact OE1-NZ 2.74Å; E21-K45 PolarHBondContact OE1-NZ 3.39Å; G22-K45 PolarHBondContact O-NZ 3.34Å; Y24-K45 PolarHBondContact O-N 3Å; K45-S47 PolarHBondContact O-N 3.13Å
46D65.8Low80.7Confident164 Ų16495.5 Ų95.588%0.87748%0.481SS*.SBendtrans-632.5-178.2-67-41.2000114.6E48D46-E48 PolarHBondContact O-N 3.49Å
47S56.4Low80.1Confident83 Ų8390.4 Ų90.458%0.5846%0.459SS*.  trans-71.317.4171.658.10000114.1K45 E49K45-S47 PolarHBondContact O-N 3.13Å; S47-E49 PolarHBondContact O-N 2.94Å; S47-E49 VanDerWaalsContact O-N 3.13Å
48E56.8Low79.5Confident64 Ų6488.6 Ų88.630%0.29945%0.453SS..THydrogen-bonded Turntrans-74.316178.1-70.1-167.2172.800113.9F44 D46 N50 K54F44-E48 HydrophobicContact CB-CG 4.47Å; F44-E48 WeakPolarHBondContact CB-OE1 3.47Å; F44-E48 VanDerWaalsContact CG-OE1 3.29Å; F44-E48 WeakPolarHBondContact CG-OE1 3.31Å; D46-E48 PolarHBondContact O-N 3.49Å; E48-N50 PolarHBondContact O-N 3.48Å; E48-K54 WeakPolarHBondContact O-CD 3.48Å; E48-K54 WeakPolarHBondContact O-CE 3.08Å; E48-K54 PolarHBondContact O-NZ 3.21Å
49E60.1Low79Confident183 Ų18392.9 Ų92.986%0.85546%0.464SS*.THydrogen-bonded Turntrans-72.1-14.5173.6-67.4-168.4167.300112.9S47 E51S47-E49 PolarHBondContact O-N 2.94Å; S47-E49 VanDerWaalsContact O-N 3.13Å; E49-E51 PolarHBondContact O-N 3.28Å
50N69.3Low78.4Confident80 Ų8095.5 Ų95.543%0.42847%0.474SS..  trans-81.3113174.4-170.4-28.1000111.4E48 E52 V53 K54E48-N50 PolarHBondContact O-N 3.48Å; N50-E52 VanDerWaalsContact C-N 3.25Å; N50-E52 PolarHBondContact O-N 3.42Å; N50-E52 WeakPolarHBondContact OD1-CB 3.35Å; N50-E52 PolarHBondContact OD1-N 2.98Å; N50-V53 HydrophobicContact CB-CB 4.33Å; N50-V53 HydrophobicContact CB-CG2 3.92Å; N50-V53 WeakPolarHBondContact O-CB 3.43Å; N50-V53 PolarHBondContact O-N 2.99Å; N50-V53 VanDerWaalsContact O-N 3.08Å; N50-K54 PolarHBondContact O-N 2.94Å
51E74.4Confident78Confident155 Ų15595 Ų9572%0.72446%0.46SS*.Hα-helixtrans-58.9-32.3-179.1-163.3155.5-157.800113.2E49 V53 K54 E55E49-E51 PolarHBondContact O-N 3.28Å; E51-V53 VanDerWaalsContact C-N 3.35Å; E51-V53 PolarHBondContact O-N 2.74Å; E51-K54 PolarHBondContact O-N 3.49Å; E51-E55 PolarHBondContact O-N 3.27Å
52E75.6Confident77.7Confident148 Ų148100.3 Ų100.369%0.69248%0.482SS*.Hα-helixtrans-67.1-35.5176.3-58.6179.1166.500112.3N50 T56N50-E52 VanDerWaalsContact C-N 3.25Å; N50-E52 PolarHBondContact O-N 3.42Å; N50-E52 WeakPolarHBondContact OD1-CB 3.35Å; N50-E52 PolarHBondContact OD1-N 2.98Å; E52-T56 WeakPolarHBondContact O-CB 3.29Å; E52-T56 PolarHBondContact O-N 3.22Å; E52-T56 PolarHBondContact O-OG1 3.49Å
53V75.5Confident77.6Confident35 Ų35101.8 Ų101.821%0.21249%0.492CS..Hα-helixtrans-70.8-39.1177.5177.40000110.3Y24 N50 E51 T56 T57Y24-V53 HydrophobicContact CD1-CG1 3.81Å; Y24-V53 HydrophobicContact CE1-CG1 3.91Å; Y24-V53 HydrophobicContact CE1-CG2 4.34Å; N50-V53 HydrophobicContact CB-CB 4.33Å; N50-V53 HydrophobicContact CB-CG2 3.92Å; N50-V53 WeakPolarHBondContact O-CB 3.43Å; N50-V53 PolarHBondContact O-N 2.99Å; N50-V53 VanDerWaalsContact O-N 3.08Å; E51-V53 VanDerWaalsContact C-N 3.35Å; E51-V53 PolarHBondContact O-N 2.74Å; V53-T56 PolarHBondContact O-N 2.99Å; V53-T57 WeakPolarHBondContact O-CB 3.01Å; V53-T57 PolarHBondContact O-N 3.25Å; V53-T57 PolarHBondContact O-OG1 2.94Å
54K77.7Confident77.5Confident92 Ų92100.2 Ų100.240%0.449%0.489SS..Hα-helixtrans-62.4-47174-79.1173.8163.5141.40111.7E48 N50 E51 T56 T57 L58E48-K54 WeakPolarHBondContact O-CD 3.48Å; E48-K54 WeakPolarHBondContact O-CE 3.08Å; E48-K54 PolarHBondContact O-NZ 3.21Å; N50-K54 PolarHBondContact O-N 2.94Å; E51-K54 PolarHBondContact O-N 3.49Å; K54-T56 PolarHBondContact O-N 3.04Å; K54-T57 PolarHBondContact O-N 3.25Å; K54-L58 WeakPolarHBondContact O-CG 3.36Å; K54-L58 PolarHBondContact O-N 2.76Å
55E83.8Confident77.6Confident92 Ų92107.8 Ų107.843%0.4352%0.516SS..Hα-helixtrans-60.4-45.2178.1-80.9-59.9120.300112.1E51 T57 L58 R59E51-E55 PolarHBondContact O-N 3.27Å; E55-T57 PolarHBondContact O-N 3.42Å; E55-L58 PolarHBondContact O-N 2.88Å; E55-R59 WeakPolarHBondContact O-CG 3.34Å; E55-R59 PolarHBondContact O-N 3.46Å
56T83.9Confident77.9Confident71 Ų71109.3 Ų109.344%0.43653%0.532SS..Hα-helixtrans-61.7-45.6176.6-55.80000110.9E52 V53 K54 L58 R59 E60E52-T56 WeakPolarHBondContact O-CB 3.29Å; E52-T56 PolarHBondContact O-N 3.22Å; E52-T56 PolarHBondContact O-OG1 3.49Å; V53-T56 PolarHBondContact O-N 2.99Å; K54-T56 PolarHBondContact O-N 3.04Å; T56-L58 PolarHBondContact O-N 3.49Å; T56-R59 PolarHBondContact O-N 3.05Å; T56-E60 WeakPolarHBondContact O-CG 3.5Å; T56-E60 PolarHBondContact O-N 3.01Å
57T82.9Confident78.6Confident17 Ų17106.7 Ų106.710%0.10452%0.518CS..Hα-helixtrans-61-42.5177.8-58.90000112.1F44 V53 K54 E55 R59 E60 L61F44-T57 HydrophobicContact CD1-CG2 4.34Å; F44-T57 HydrophobicContact CE1-CG2 3.51Å; F44-T57 HydrophobicContact CE2-CG2 4.44Å; F44-T57 HydrophobicContact CZ-CG2 3.57Å; V53-T57 WeakPolarHBondContact O-CB 3.01Å; V53-T57 PolarHBondContact O-N 3.25Å; V53-T57 PolarHBondContact O-OG1 2.94Å; K54-T57 PolarHBondContact O-N 3.25Å; E55-T57 PolarHBondContact O-N 3.42Å; T57-R59 PolarHBondContact O-N 3.36Å; T57-E60 PolarHBondContact O-N 2.83Å; T57-L61 HydrophobicContact CG2-CD1 4.19Å; T57-L61 HydrophobicContact CG2-CG 4.5Å; T57-L61 WeakPolarHBondContact O-CB 3.32Å; T57-L61 VanDerWaalsContact O-CG 3.31Å; T57-L61 WeakPolarHBondContact O-CG 3.35Å; T57-L61 PolarHBondContact O-N 3.35Å
58L83.9Confident78.6Confident85 Ų85116.2 Ų116.245%0.44555%0.549SS..Hα-helixtrans-65.1-38.2177.4-73.5174.9000112.5K54 E55 T56 L61 K62K54-L58 WeakPolarHBondContact O-CG 3.36Å; K54-L58 PolarHBondContact O-N 2.76Å; E55-L58 PolarHBondContact O-N 2.88Å; T56-L58 PolarHBondContact O-N 3.49Å; L58-L61 PolarHBondContact O-N 3.08Å; L58-K62 WeakPolarHBondContact O-CG 3.46Å; L58-K62 PolarHBondContact O-N 2.74Å
59R86Confident79.7Confident169 Ų169118.8 Ų118.864%0.63856%0.561SS**Hα-helixtrans-64.1-46.5175-71173-170.1-175.43.2111.2E55 T56 T57 L61 K62 M63E55-R59 WeakPolarHBondContact O-CG 3.34Å; E55-R59 PolarHBondContact O-N 3.46Å; T56-R59 PolarHBondContact O-N 3.05Å; T57-R59 PolarHBondContact O-N 3.36Å; R59-L61 PolarHBondContact O-N 3.47Å; R59-K62 PolarHBondContact O-N 2.88Å; R59-M63 PolarHBondContact O-N 3.13Å
60E84.6Confident80.7Confident93 Ų93115.4 Ų115.444%0.43555%0.546SS..Hα-helixtrans-59-46.3175.5-71.4-178.4177.400111.6T56 T57 K62 M63 L64T56-E60 WeakPolarHBondContact O-CG 3.5Å; T56-E60 PolarHBondContact O-N 3.01Å; T57-E60 PolarHBondContact O-N 2.83Å; E60-K62 VanDerWaalsContact C-N 3.34Å; E60-K62 PolarHBondContact O-N 2.97Å; E60-M63 PolarHBondContact O-N 3.23Å; E60-L64 WeakPolarHBondContact O-CG 2.95Å; E60-L64 PolarHBondContact O-N 2.91Å
61L85.3Confident81.3Confident65 Ų65117.4 Ų117.434%0.3455%0.552SS.*Hα-helixtrans-61.4-40.7177.6-74.1174000112.6T57 L58 R59 R65T57-L61 HydrophobicContact CG2-CD1 4.19Å; T57-L61 HydrophobicContact CG2-CG 4.5Å; T57-L61 WeakPolarHBondContact O-CB 3.32Å; T57-L61 VanDerWaalsContact O-CG 3.31Å; T57-L61 WeakPolarHBondContact O-CG 3.35Å; T57-L61 PolarHBondContact O-N 3.35Å; L58-L61 PolarHBondContact O-N 3.08Å; R59-L61 PolarHBondContact O-N 3.47Å; L61-R65 WeakPolarHBondContact O-CG 3.35Å; L61-R65 PolarHBondContact O-N 3.28Å; L61-R65 VanDerWaalsContact O-N 3.13Å
62K88.1Confident81.7Confident145 Ų145115.2 Ų115.263%0.6354%0.542SS*.Hα-helixtrans-61.5-46.6174.7-77.5174.9-177.3174.10110.6L58 R59 E60 R65 T66L58-K62 WeakPolarHBondContact O-CG 3.46Å; L58-K62 PolarHBondContact O-N 2.74Å; R59-K62 PolarHBondContact O-N 2.88Å; E60-K62 VanDerWaalsContact C-N 3.34Å; E60-K62 PolarHBondContact O-N 2.97Å; K62-R65 PolarHBondContact O-N 2.98Å; K62-T66 WeakPolarHBondContact O-CG2 3.46Å; K62-T66 PolarHBondContact O-N 3Å
63M88.7Confident82.1Confident123 Ų123113.1 Ų113.161%0.60653%0.533SS*.Hα-helixtrans-60.4-48.9177.9-177.5-178.6169.200111.3R59 E60 R65 T66 L67R59-M63 PolarHBondContact O-N 3.13Å; E60-M63 PolarHBondContact O-N 3.23Å; M63-R65 VanDerWaalsContact C-N 3.27Å; M63-R65 PolarHBondContact O-N 3.37Å; M63-T66 PolarHBondContact O-N 3.45Å; M63-T66 PolarHBondContact O-OG1 3.41Å; M63-L67 PolarHBondContact O-N 3.49Å
64L85.2Confident82.5Confident110 Ų110118.3 Ų118.358%0.57655%0.554SS**Hα-helixtrans-58.4-37.1179.5-72.1171.4000112.8E60 T66 L67E60-L64 WeakPolarHBondContact O-CG 2.95Å; E60-L64 PolarHBondContact O-N 2.91Å; L64-T66 PolarHBondContact O-N 3.09Å; L64-L67 HydrophobicContact CD2-CD1 4.2Å; L64-L67 PolarHBondContact O-N 3.12Å
65R85.1Confident82.9Confident212 Ų212120.2 Ų120.280%0.857%0.565SS**Hα-helixtrans-68.6-19.9176.1-72.8176.4-176.3178.43.1113.9L61 K62 M63L61-R65 WeakPolarHBondContact O-CG 3.35Å; L61-R65 PolarHBondContact O-N 3.28Å; L61-R65 VanDerWaalsContact O-N 3.13Å; K62-R65 PolarHBondContact O-N 2.98Å; M63-R65 VanDerWaalsContact C-N 3.27Å; M63-R65 PolarHBondContact O-N 3.37Å
66T87.1Confident82.8Confident110 Ų110122.4 Ų122.468%0.67558%0.575SS**Hα-helixtrans-91-9.4178.659.10000113.6K62 M63 L64K62-T66 WeakPolarHBondContact O-CG2 3.46Å; K62-T66 PolarHBondContact O-N 3Å; M63-T66 PolarHBondContact O-N 3.45Å; M63-T66 PolarHBondContact O-OG1 3.41Å; L64-T66 PolarHBondContact O-N 3.09Å
67L79.1Confident82.7Confident108 Ų108126.7 Ų126.757%0.56559%0.587SS**  trans-79.7132174-58.3176000109.2M63 L64M63-L67 PolarHBondContact O-N 3.49Å; L64-L67 HydrophobicContact CD2-CD1 4.2Å; L64-L67 PolarHBondContact O-N 3.12Å
68K56.8Low82.7Confident283 Ų283136.6 Ų136.6100%1.2363%0.631SS**  trans-101.70172.6-81.8-169.4176.5-176.80110.5

Retrieved 68 of 68 residues in 12.7 ms (Link to these results)