A0A087WZS0_HUMAN Loading...

Ly6/neurotoxin 1

AlphaFold DB , UniProt , Accession A0A087WZS0, Species HUMAN (Homo sapiens, Human), Gene LYNX1, Length 82 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
1M62.2Low81.3Confident209 Ų209111.5 Ų111.5100%1.0362%0.617SS**  0-50.10-49.8-173.5-63.800111.5P3M1-P3 VanDerWaalsContact C-CD 3.5Å
2T72.2Confident81.4Confident115 Ų115111.5 Ų111.571%0.70661%0.614SS**Hα-helixtrans-59.5-39.6178.141.60000117L4 L5 T6T2-L4 PolarHBondContact O-N 3.21Å; T2-L5 PolarHBondContact O-N 3.42Å; T2-T6 PolarHBondContact O-N 3.37Å; T2-T6 PolarHBondContact O-OG1 3.49Å
3P79.5Confident81Confident83 Ų83116.1 Ų116.154%0.53963%0.632SS.*Hα-helixtrans-73.4-29-174.428.8-35.9000113M1 T6 L7M1-P3 VanDerWaalsContact C-CD 3.5Å; P3-T6 VanDerWaalsContact C-OG1 3.28Å; P3-T6 VanDerWaalsContact CA-OG1 3.29Å; P3-T6 WeakPolarHBondContact CA-OG1 3.36Å; P3-T6 PolarHBondContact O-OG1 3.21Å; P3-L7 PolarHBondContact O-N 3.1Å; P3-L7 VanDerWaalsContact O-N 3.1Å
4L85.2Confident80.1Confident123 Ų123112.1 Ų112.164%0.64463%0.631SS**Hα-helixtrans-68.8-43.5178-16286.3000110.3T2 T6 L7 I8T2-L4 PolarHBondContact O-N 3.21Å; L4-T6 VanDerWaalsContact C-N 3.35Å; L4-T6 PolarHBondContact O-N 3.47Å; L4-L7 WeakPolarHBondContact O-CB 3.46Å; L4-L7 PolarHBondContact O-N 2.78Å; L4-I8 HydrophobicContact CD2-CD1 4.36Å; L4-I8 HydrophobicContact CG-CD1 4.23Å; L4-I8 WeakPolarHBondContact O-CD1 3.29Å; L4-I8 VanDerWaalsContact O-CG1 3.25Å; L4-I8 WeakPolarHBondContact O-CG1 3.35Å; L4-I8 PolarHBondContact O-N 3.47Å
5L84.1Confident79.4Confident115 Ų115111.2 Ų111.260%0.60262%0.623SS**Hα-helixtrans-62.7-41.8178.3-155.598.9000111.5T2 L7 I8 L9T2-L5 PolarHBondContact O-N 3.42Å; L5-L7 VanDerWaalsContact C-N 3.33Å; L5-L7 PolarHBondContact O-N 3.27Å; L5-I8 PolarHBondContact O-N 3.32Å; L5-L9 HydrophobicContact CD2-CD1 4.25Å; L5-L9 WeakPolarHBondContact O-CD1 3.4Å; L5-L9 WeakPolarHBondContact O-CG 3.34Å; L5-L9 PolarHBondContact O-N 3.11Å; L5-L9 VanDerWaalsContact O-N 3.08Å
6T84Confident78.3Confident80 Ų80111.3 Ų111.349%0.49163%0.63SS.*Hα-helixtrans-64.8-36.9175.547.70000112.3T2 P3 L4 L9 V10T2-T6 PolarHBondContact O-N 3.37Å; T2-T6 PolarHBondContact O-OG1 3.49Å; P3-T6 VanDerWaalsContact C-OG1 3.28Å; P3-T6 VanDerWaalsContact CA-OG1 3.29Å; P3-T6 WeakPolarHBondContact CA-OG1 3.36Å; P3-T6 PolarHBondContact O-OG1 3.21Å; L4-T6 VanDerWaalsContact C-N 3.35Å; L4-T6 PolarHBondContact O-N 3.47Å; T6-L9 PolarHBondContact O-N 3.11Å; T6-V10 WeakPolarHBondContact O-CG2 3.39Å; T6-V10 PolarHBondContact O-N 3.43Å; T6-V10 VanDerWaalsContact O-N 3.11Å
7L86.7Confident77.2Confident119 Ų119114.6 Ų114.662%0.62365%0.645SS**Hα-helixtrans-63.9-44.6176.1-127.299.9000111.3P3 L4 L5 L9 V10 V11P3-L7 PolarHBondContact O-N 3.1Å; P3-L7 VanDerWaalsContact O-N 3.1Å; L4-L7 WeakPolarHBondContact O-CB 3.46Å; L4-L7 PolarHBondContact O-N 2.78Å; L5-L7 VanDerWaalsContact C-N 3.33Å; L5-L7 PolarHBondContact O-N 3.27Å; L7-L9 VanDerWaalsContact C-N 3.34Å; L7-L9 PolarHBondContact O-N 3.47Å; L7-V10 PolarHBondContact O-N 3.44Å; L7-V11 WeakPolarHBondContact O-CG2 3.19Å; L7-V11 PolarHBondContact O-N 3.17Å
8I85.9Confident76.3Confident86 Ų86112.3 Ų112.344%0.44164%0.643SS.*Hα-helixtrans-62.9-43-179.3-65.6159.9000110.5L4 L5 V11 L12L4-I8 HydrophobicContact CD2-CD1 4.36Å; L4-I8 HydrophobicContact CG-CD1 4.23Å; L4-I8 WeakPolarHBondContact O-CD1 3.29Å; L4-I8 VanDerWaalsContact O-CG1 3.25Å; L4-I8 WeakPolarHBondContact O-CG1 3.35Å; L4-I8 PolarHBondContact O-N 3.47Å; L5-I8 PolarHBondContact O-N 3.32Å; I8-V11 PolarHBondContact O-N 3.48Å; I8-L12 HydrophobicContact CG2-CD1 3.73Å; I8-L12 WeakPolarHBondContact O-CD1 3.37Å; I8-L12 PolarHBondContact O-N 3.12Å
9L86.4Confident75.9Confident102 Ų102116.5 Ų116.553%0.53466%0.656SS.*Hα-helixtrans-62.9-42.8177.6-73.6161.2000112.1L5 T6 L7 V11 L12 M13L5-L9 HydrophobicContact CD2-CD1 4.25Å; L5-L9 WeakPolarHBondContact O-CD1 3.4Å; L5-L9 WeakPolarHBondContact O-CG 3.34Å; L5-L9 PolarHBondContact O-N 3.11Å; L5-L9 VanDerWaalsContact O-N 3.08Å; T6-L9 PolarHBondContact O-N 3.11Å; L7-L9 VanDerWaalsContact C-N 3.34Å; L7-L9 PolarHBondContact O-N 3.47Å; L9-V11 VanDerWaalsContact C-N 3.34Å; L9-V11 PolarHBondContact O-N 3.23Å; L9-L12 PolarHBondContact O-N 3.36Å; L9-M13 WeakPolarHBondContact O-CG 3.45Å; L9-M13 PolarHBondContact O-N 3.08Å; L9-M13 VanDerWaalsContact O-N 3.11Å
10V84.4Confident75.8Confident108 Ų108113.2 Ų113.266%0.65564%0.644SS**Hα-helixtrans-63.1-41.3176.8171.20000111.3T6 L7 M13 G14T6-V10 WeakPolarHBondContact O-CG2 3.39Å; T6-V10 PolarHBondContact O-N 3.43Å; T6-V10 VanDerWaalsContact O-N 3.11Å; L7-V10 PolarHBondContact O-N 3.44Å; V10-M13 PolarHBondContact O-N 3.01Å; V10-G14 PolarHBondContact O-N 3.46Å
11V84.2Confident76.5Confident86 Ų86110.5 Ų110.552%0.52163%0.627SS.*Hα-helixtrans-62.9-47.5177171.30000110.9L7 I8 L9 M13 G14 L15L7-V11 WeakPolarHBondContact O-CG2 3.19Å; L7-V11 PolarHBondContact O-N 3.17Å; I8-V11 PolarHBondContact O-N 3.48Å; L9-V11 VanDerWaalsContact C-N 3.34Å; L9-V11 PolarHBondContact O-N 3.23Å; V11-M13 VanDerWaalsContact C-N 3.31Å; V11-M13 PolarHBondContact O-N 3.34Å; V11-G14 PolarHBondContact O-N 2.99Å; V11-G14 VanDerWaalsContact O-N 3.12Å; V11-L15 HydrophobicContact CG1-CD1 3.97Å; V11-L15 WeakPolarHBondContact O-CD1 3.25Å; V11-L15 PolarHBondContact O-N 3.04Å
12L81.9Confident78.1Confident112 Ų112104.9 Ų104.959%0.58660%0.601SS**Hα-helixtrans-59.1-38178.1-98.7103.1000113.5I8 L9 G14 L15I8-L12 HydrophobicContact CG2-CD1 3.73Å; I8-L12 WeakPolarHBondContact O-CD1 3.37Å; I8-L12 PolarHBondContact O-N 3.12Å; L9-L12 PolarHBondContact O-N 3.36Å; L12-G14 VanDerWaalsContact C-N 3.28Å; L12-G14 PolarHBondContact O-N 3.32Å; L12-L15 PolarHBondContact O-N 3.47Å
13M76.8Confident79.2Confident171 Ų17199.6 Ų99.684%0.84257%0.569SS**Hα-helixtrans-75-20.3179.8-61.8-68.4-80.700112.8L9 V10 V11L9-M13 WeakPolarHBondContact O-CG 3.45Å; L9-M13 PolarHBondContact O-N 3.08Å; L9-M13 VanDerWaalsContact O-N 3.11Å; V10-M13 PolarHBondContact O-N 3.01Å; V11-M13 VanDerWaalsContact C-N 3.31Å; V11-M13 PolarHBondContact O-N 3.34Å
14G68.4Low80.1Confident60 Ų6099.1 Ų99.162%0.61956%0.559SS**Hα-helixtrans-93.4-6.6176.200000114.4V10 V11 L12 P16V10-G14 PolarHBondContact O-N 3.46Å; V11-G14 PolarHBondContact O-N 2.99Å; V11-G14 VanDerWaalsContact O-N 3.12Å; L12-G14 VanDerWaalsContact C-N 3.28Å; L12-G14 PolarHBondContact O-N 3.32Å; G14-P16 VanDerWaalsContact O-CD 3.23Å; G14-P16 WeakPolarHBondContact O-CD 3.23Å
15L69.3Low80.6Confident99 Ų9995.3 Ų95.352%0.51854%0.541SS..SBendtrans-72.1113.6179.6-94.9136.4000109.6V11 L12 L17V11-L15 HydrophobicContact CG1-CD1 3.97Å; V11-L15 WeakPolarHBondContact O-CD1 3.25Å; V11-L15 PolarHBondContact O-N 3.04Å; L12-L15 PolarHBondContact O-N 3.47Å; L15-L17 PolarHBondContact O-N 3.05Å
16P61.2Low81.3Confident112 Ų11291 Ų9173%0.72752%0.521SS*.  trans-65.9111175.726.8-31.5000108.6G14 A18G14-P16 VanDerWaalsContact O-CD 3.23Å; G14-P16 WeakPolarHBondContact O-CD 3.23Å; P16-A18 PolarHBondContact O-N 2.98Å; P16-A18 VanDerWaalsContact O-N 3.11Å
17L60.3Low81.9Confident168 Ų16890.3 Ų90.388%0.8852%0.523SS*.  trans-69.1-1175.6-114.983.6000113.5L15 Q19L15-L17 PolarHBondContact O-N 3.05Å; L17-Q19 PolarHBondContact O-N 3.39Å; L17-Q19 VanDerWaalsContact O-N 3.09Å
18A61.7Low82.4Confident74 Ų7491.2 Ų91.261%0.61252%0.519SS*.  trans-80.693-177.300000110P16 A20P16-A18 PolarHBondContact O-N 2.98Å; P16-A18 VanDerWaalsContact O-N 3.11Å; A18-A20 PolarHBondContact O-N 3.49Å
19Q67.8Low82.8Confident192 Ų19292.8 Ų92.890%0.89753%0.529SS*.  trans-64103.2161.6-61.2-163.112.200107.6L17 L21L17-Q19 PolarHBondContact O-N 3.39Å; L17-Q19 VanDerWaalsContact O-N 3.09Å; Q19-L21 PolarHBondContact O-N 3.09Å
20A73.6Confident83Confident49 Ų4988.5 Ų88.541%0.40551%0.509SS..  trans-79.9108.4-177.200000107.8A18 R38A18-A20 PolarHBondContact O-N 3.49Å; A20-R38 HydrophobicContact CB-CG 4.46Å; A20-R38 PolarHBondContact O-NH1 3.01Å
21L91.5Very high83.3Confident57 Ų5788.6 Ų88.630%0.29851%0.506SS..  trans-77.5127.4-176.8-171.272000110.2Q19 C39 V43 A44Q19-L21 PolarHBondContact O-N 3.09Å; L21-C39 HydrophobicContact CB-CB 4.36Å; L21-C39 WeakPolarHBondContact O-CB 3.31Å; L21-C39 PolarHBondContact O-N 3.25Å; L21-V43 HydrophobicContact CD2-CG1 4.04Å; L21-A44 VanDerWaalsContact CD2-C 3.41Å
22D95.1Very high83.8Confident91 Ų9187.6 Ų87.649%0.48750%0.498SS..EExtended strand (participates in β ladder)trans-104.6121.7174.7-75.5-66.1000109.9R38D22-R38 WeakPolarHBondContact OD1-CA 3.21Å; D22-R38 VanDerWaalsContact OD1-CD 3.31Å; D22-R38 WeakPolarHBondContact OD1-CD 3.09Å; D22-R38 IonicContact OD1-NE 3.85Å; D22-R38 IonicContact OD1-NH1 3.97Å; D22-R38 IonicContact OD2-CZ 3.63Å; D22-R38 IonicContact OD2-NE 3.97Å; D22-R38 IonicContact OD2-NH1 2.78Å; D22-R38 PolarHBondContact OD2-NH1 2.98Å
23C96.1Very high84.5Confident5 Ų582.9 Ų82.93%0.03447%0.474CS..EExtended strand (participates in β ladder)trans-127.1163.8179.4-62.50000110.6P36 M37 C39 C46C23-P36 CarbonylContact O-C 3.59Å; C23-P36 WeakPolarHBondContact O-CA 3.11Å; C23-M37 PolarHBondContact N-O 3.11Å; C23-M37 PolarHBondContact O-N 2.78Å; C23-M37 VanDerWaalsContact O-O 3.07Å; C23-C39 VanDerWaalsContact CB-SG 3.58Å; C23-C39 PolarHBondContact SG-SG 2.97Å; C23-C46 HydrophobicContact CB-CB 3.81Å; C23-C46 WeakPolarHBondContact CB-SG 3.34Å; C23-C46 WeakPolarHBondContact SG-CA 3.45Å; C23-C46 WeakPolarHBondContact SG-CB 3.46Å; C23-C46 CovalentContact SG-SG 2.03Å; C23-C46 PolarHBondContact SG-SG 2.85Å
24H97.3Very high85.4Confident72 Ų7282.1 Ų82.133%0.33347%0.466SS..EExtended strand (participates in β ladder)trans-83.2130.7163.3-64-68.9000110N35 K62H24-N35 CarbonylContact C-O 3.6Å; H24-N35 VanDerWaalsContact CA-O 3.27Å; H24-N35 WeakPolarHBondContact CA-O 3.41Å; H24-N35 PolarHBondContact ND1-N 3.46Å; H24-K62 HydrophobicContact CB-CB 4.31Å; H24-K62 HydrophobicContact CB-CD 3.56Å; H24-K62 CarbonylContact O-C 3.57Å; H24-K62 WeakPolarHBondContact O-CB 3.41Å
25V97Very high86.8Confident43 Ų4382.6 Ų82.626%0.26146%0.455SS..  trans-125.298.5177.9179.30000109.4N35 M37 K62 C64V25-N35 PolarHBondContact N-O 3.48Å; V25-N35 WeakPolarHBondContact O-CB 3.37Å; V25-N35 PolarHBondContact O-ND2 3.22Å; V25-M37 HydrophobicContact CB-CB 4.49Å; V25-M37 HydrophobicContact CB-CE 3.41Å; V25-M37 VanDerWaalsContact CB-CE 3.41Å; V25-M37 HydrophobicContact CG1-CE 3.65Å; V25-M37 HydrophobicContact CG2-CB 4.34Å; V25-M37 HydrophobicContact CG2-CE 4.46Å; V25-M37 WeakPolarHBondContact O-CE 3.1Å; V25-K62 WeakPolarHBondContact CA-O 3.33Å; V25-C64 VanDerWaalsContact CG2-SG 3.53Å
26C97.6Very high88.1Confident26 Ų2682.4 Ų82.418%0.17646%0.459CS..EExtended strand (participates in β ladder)trans-162.4164.1-17354.20000111.9C33 N35 S61 K62C26-C33 HydrophobicContact CB-CB 3.85Å; C26-C33 WeakPolarHBondContact CB-SG 3.4Å; C26-C33 WeakPolarHBondContact SG-CB 3.39Å; C26-C33 PolarHBondContact SG-O 3.27Å; C26-C33 VanDerWaalsContact SG-O 3.39Å; C26-C33 CovalentContact SG-SG 2.04Å; C26-C33 PolarHBondContact SG-SG 2.82Å; C26-N35 HydrophobicContact CB-CB 3.85Å; C26-S61 CarbonylContact O-C 3.55Å; C26-S61 WeakPolarHBondContact O-CA 3.39Å; C26-K62 PolarHBondContact N-O 2.85Å; C26-K62 VanDerWaalsContact N-O 3.1Å; C26-K62 PolarHBondContact O-N 2.89Å
27A96.6Very high89.7Confident65 Ų6580.8 Ų80.854%0.53744%0.443SS..EExtended strand (participates in β ladder)trans-136.8137.2168.700000109.8V60A27-V60 WeakPolarHBondContact CA-O 3.33Å
28Y96.8Very high91.3Very high137 Ų13780.4 Ų80.454%0.53743%0.429SS..EExtended strand (participates in β ladder)trans-150.3145.3-179-176.7-114.4000111.8G30 N32 K59 V60Y28-G30 PolarHBondContact O-N 2.99Å; Y28-N32 WeakPolarHBondContact CD1-O 3.13Å; Y28-K59 CarbonylContact O-C 3.4Å; Y28-K59 WeakPolarHBondContact O-CA 3.48Å; Y28-K59 WeakPolarHBondContact O-CG 3.27Å; Y28-V60 PolarHBondContact N-O 2.98Å; Y28-V60 PolarHBondContact O-N 2.78Å
29N95.1Very high92.9Very high120 Ų12077.3 Ų77.364%0.64240%0.404SS*.SBendtrans-86.780.4173.7-65.5-28.5000109.1M58N29-M58 CarbonylContact C-O 3.59Å
30G91.7Very high94Very high12 Ų1271.8 Ų71.812%0.12438%0.384CS..SBendtrans174.8-165.7178.400000110.9Y28 N32 M58Y28-G30 PolarHBondContact O-N 2.99Å; G30-N32 PolarHBondContact O-N 2.04Å; G30-M58 PolarHBondContact N-O 2.85Å
31D90.4Very high94.7Very high109 Ų10974.4 Ų74.458%0.58341%0.406SS*.SBendtrans-62.8-43.8-174.5-58.6-96.3000113.6M58D31-M58 HydrophobicContact CB-CE 3.84Å; D31-M58 WeakPolarHBondContact OD1-CE 3.45Å
32N93.5Very high94.4Very high66 Ų6679 Ų7935%0.35343%0.428SS..  trans-154.6163.2-172.1-151.97.8000112.5Y28 G30 F34 K62Y28-N32 WeakPolarHBondContact CD1-O 3.13Å; G30-N32 PolarHBondContact O-N 2.04Å; N32-F34 HydrophobicContact CB-CE2 4.3Å; N32-F34 HydrophobicContact CB-CZ 4.45Å; N32-F34 WeakPolarHBondContact ND2-CZ 3.47Å; N32-K62 WeakPolarHBondContact OD1-CE 3.32Å; N32-K62 PolarHBondContact OD1-NZ 3.19Å
33C96.2Very high94.2Very high13 Ų1375.3 Ų75.39%0.08841%0.409CS..  trans-142.1151171.767.80000110.1C26 V60 K62C26-C33 HydrophobicContact CB-CB 3.85Å; C26-C33 WeakPolarHBondContact CB-SG 3.4Å; C26-C33 WeakPolarHBondContact SG-CB 3.39Å; C26-C33 PolarHBondContact SG-O 3.27Å; C26-C33 VanDerWaalsContact SG-O 3.39Å; C26-C33 CovalentContact SG-SG 2.04Å; C26-C33 PolarHBondContact SG-SG 2.82Å; C33-V60 HydrophobicContact CB-CG1 4.08Å; C33-K62 WeakPolarHBondContact O-CE 2.82Å
34F97.3Very high94Very high155 Ų15577.9 Ų77.968%0.6843%0.43SS*.  trans-130.3114.5-176.5-59.4-86.5000109.8N32N32-F34 HydrophobicContact CB-CE2 4.3Å; N32-F34 HydrophobicContact CB-CZ 4.45Å; N32-F34 WeakPolarHBondContact ND2-CZ 3.47Å
35N97.4Very high93.8Very high70 Ų7080.6 Ų80.637%0.37444%0.438SS..  trans-153.382172.9-172.825.8000109.3H24 V25 C26 M37H24-N35 CarbonylContact C-O 3.6Å; H24-N35 VanDerWaalsContact CA-O 3.27Å; H24-N35 WeakPolarHBondContact CA-O 3.41Å; H24-N35 PolarHBondContact ND1-N 3.46Å; V25-N35 PolarHBondContact N-O 3.48Å; V25-N35 WeakPolarHBondContact O-CB 3.37Å; V25-N35 PolarHBondContact O-ND2 3.22Å; C26-N35 HydrophobicContact CB-CB 3.85Å; N35-M37 WeakPolarHBondContact ND2-CE 3.41Å; N35-M37 PolarHBondContact O-N 3.2Å
36P96.2Very high93.7Very high94 Ų9481.5 Ų81.561%0.6145%0.446SS*.EExtended strand (participates in β ladder)trans-64.6129.4-176.827.9-32.9000110.4C23C23-P36 CarbonylContact O-C 3.59Å; C23-P36 WeakPolarHBondContact O-CA 3.11Å
37M94.8Very high93.5Very high78 Ų7882.6 Ų82.638%0.38445%0.449SS..EExtended strand (participates in β ladder)trans-143.8146.5179.9-69-155.4-10300110.5C23 V25 N35C23-M37 PolarHBondContact N-O 3.11Å; C23-M37 PolarHBondContact O-N 2.78Å; C23-M37 VanDerWaalsContact O-O 3.07Å; V25-M37 HydrophobicContact CB-CB 4.49Å; V25-M37 HydrophobicContact CB-CE 3.41Å; V25-M37 VanDerWaalsContact CB-CE 3.41Å; V25-M37 HydrophobicContact CG1-CE 3.65Å; V25-M37 HydrophobicContact CG2-CB 4.34Å; V25-M37 HydrophobicContact CG2-CE 4.46Å; V25-M37 WeakPolarHBondContact O-CE 3.1Å; N35-M37 WeakPolarHBondContact ND2-CE 3.41Å; N35-M37 PolarHBondContact O-N 3.2Å
38R94.9Very high93.4Very high160 Ų16083.1 Ų83.160%0.60445%0.446SS*.EExtended strand (participates in β ladder)trans-73.1124.8171.5-166.880.890.3169.47.3109.8A20 D22A20-R38 HydrophobicContact CB-CG 4.46Å; A20-R38 PolarHBondContact O-NH1 3.01Å; D22-R38 WeakPolarHBondContact OD1-CA 3.21Å; D22-R38 VanDerWaalsContact OD1-CD 3.31Å; D22-R38 WeakPolarHBondContact OD1-CD 3.09Å; D22-R38 IonicContact OD1-NE 3.85Å; D22-R38 IonicContact OD1-NH1 3.97Å; D22-R38 IonicContact OD2-CZ 3.63Å; D22-R38 IonicContact OD2-NE 3.97Å; D22-R38 IonicContact OD2-NH1 2.78Å; D22-R38 PolarHBondContact OD2-NH1 2.98Å
39C93.5Very high93.1Very high10 Ų1078.9 Ų78.97%0.06843%0.434CS..PPolyproline II helixtrans-77.4153.8174.9-62.70000112L21 C23 V43 C64L21-C39 HydrophobicContact CB-CB 4.36Å; L21-C39 WeakPolarHBondContact O-CB 3.31Å; L21-C39 PolarHBondContact O-N 3.25Å; C23-C39 VanDerWaalsContact CB-SG 3.58Å; C23-C39 PolarHBondContact SG-SG 2.97Å; C39-V43 HydrophobicContact CB-CB 3.96Å; C39-V43 HydrophobicContact CB-CG1 3.84Å; C39-C64 VanDerWaalsContact CA-SG 3.57Å; C39-C64 HydrophobicContact CB-CB 3.79Å; C39-C64 WeakPolarHBondContact CB-SG 3.06Å; C39-C64 WeakPolarHBondContact SG-CB 3.11Å; C39-C64 CovalentContact SG-SG 2.04Å; C39-C64 PolarHBondContact SG-SG 2.04Å
40P91.7Very high92.9Very high75 Ų7579.1 Ų79.149%0.48743%0.426SS..PPolyproline II helixtrans-59.6152.2170.7-20.732000112M42 V43P40-M42 HydrophobicContact CB-CG 4.31Å; P40-M42 PolarHBondContact O-N 2.98Å; P40-V43 WeakPolarHBondContact O-CB 3.42Å; P40-V43 PolarHBondContact O-N 2.97Å
41A87.9Confident92.8Very high105 Ų10581.2 Ų81.287%0.86844%0.437SS*.THydrogen-bonded Turntrans-59.2-21-176.500000115V43A41-V43 VanDerWaalsContact C-N 3.28Å; A41-V43 PolarHBondContact O-N 3.39Å
42M85.4Confident92.7Very high153 Ų15382.5 Ų82.575%0.75443%0.434SS*.THydrogen-bonded Turntrans-80.1-5.6177.670.7-174.6-166.300114.1P40P40-M42 HydrophobicContact CB-CG 4.31Å; P40-M42 PolarHBondContact O-N 2.98Å
43V91.9Very high92.3Very high14 Ų1486.3 Ų86.39%0.08545%0.445CS..  trans-98.5133.3-178.2168.60000109.7L21 C39 P40 A41 Y45 C64 V65L21-V43 HydrophobicContact CD2-CG1 4.04Å; C39-V43 HydrophobicContact CB-CB 3.96Å; C39-V43 HydrophobicContact CB-CG1 3.84Å; P40-V43 WeakPolarHBondContact O-CB 3.42Å; P40-V43 PolarHBondContact O-N 2.97Å; A41-V43 VanDerWaalsContact C-N 3.28Å; A41-V43 PolarHBondContact O-N 3.39Å; V43-Y45 WeakPolarHBondContact CG1-O 3.31Å; V43-C64 HydrophobicContact CB-CB 4.4Å; V43-C64 HydrophobicContact CG1-CB 3.77Å; V43-C64 HydrophobicContact CG2-CB 4.05Å; V43-V65 WeakPolarHBondContact CG1-O 3.28Å
44A91.4Very high92Very high59 Ų5988.6 Ų88.649%0.48846%0.458SS..  trans-116.1-7.5176.900000113.7L21L21-A44 VanDerWaalsContact CD2-C 3.41Å
45Y92.8Very high91.6Very high128 Ų12887.7 Ų87.750%0.50247%0.468SS..EExtended strand (participates in β ladder)trans-138.5148.1-173.8-56.5-81.6000113.7V43 V65 P66 C68V43-Y45 WeakPolarHBondContact CG1-O 3.31Å; Y45-V65 PolarHBondContact N-O 3.08Å; Y45-V65 PolarHBondContact O-N 3.39Å; Y45-P66 WeakPolarHBondContact CD2-O 3.13Å; Y45-C68 HydrophobicContact CG-CB 4.33Å
46C94.6Very high91.2Very high62 Ų6290.5 Ų90.542%0.41949%0.488SS..EExtended strand (participates in β ladder)trans-94.3124.5165.8-49.20000109.4C23C23-C46 HydrophobicContact CB-CB 3.81Å; C23-C46 WeakPolarHBondContact CB-SG 3.34Å; C23-C46 WeakPolarHBondContact SG-CA 3.45Å; C23-C46 WeakPolarHBondContact SG-CB 3.46Å; C23-C46 CovalentContact SG-SG 2.03Å; C23-C46 PolarHBondContact SG-SG 2.85Å
47M93.9Very high90.9Very high49 Ų4994.8 Ų94.824%0.24149%0.492CS..EExtended strand (participates in β ladder)trans-99.7131.8173.5-172.3178.2-172.500109.8K62 S63 V65M47-K62 CarbonylContact O-C 3.57Å; M47-K62 VanDerWaalsContact O-CA 3.25Å; M47-K62 WeakPolarHBondContact O-CA 3.45Å; M47-S63 PolarHBondContact N-O 2.93Å; M47-S63 PolarHBondContact O-N 3.41Å; M47-V65 HydrophobicContact CB-CG1 4.01Å; M47-V65 HydrophobicContact CB-CG2 3.73Å; M47-V65 HydrophobicContact SD-CG1 4.13Å
48T93.7Very high90.7Very high76 Ų7692.5 Ų92.547%0.46648%0.48SS..EExtended strand (participates in β ladder)trans-122.2116.4168.6-66.30000108.9R50 V60 S61 K62T48-R50 HydrophobicContact CG2-CG 4.44Å; T48-V60 HydrophobicContact CG2-CG2 4.01Å; T48-S61 CarbonylContact C-O 3.46Å; T48-S61 WeakPolarHBondContact CA-O 3.03Å; T48-K62 HydrophobicContact CG2-CG 4.14Å
49T91.8Very high90.6Very high49 Ų4988.4 Ų88.430%0.30147%0.467SS..EExtended strand (participates in β ladder)trans-104.2125.5174.1-53.60000109.2V60 S61T49-V60 CarbonylContact O-C 3.56Å; T49-V60 WeakPolarHBondContact O-CA 3.25Å; T49-S61 PolarHBondContact N-O 3.1Å; T49-S61 PolarHBondContact O-N 2.81Å
50R90.3Very high90.6Very high125 Ų12588 Ų8847%0.47246%0.464SS..EExtended strand (participates in β ladder)trans-110.5119.4170.5-67.2178.577.7-178.65.3108.8T48 Y52 M58 V60T48-R50 HydrophobicContact CG2-CG 4.44Å; R50-Y52 HydrophobicContact CB-CE2 4.04Å; R50-Y52 PolarHBondContact NE-OH 2.9Å; R50-Y52 PolarHBondContact NH1-OH 3.42Å; R50-Y52 PolarHBondContact NH2-OH 2.79Å; R50-Y52 VanDerWaalsContact NH2-OH 3.12Å; R50-M58 PolarHBondContact NH2-SD 2.03Å; R50-V60 HydrophobicContact CG-CG2 4.25Å
51T88.6Confident90.8Very high56 Ų5686.7 Ų86.734%0.34446%0.457SS..EExtended strand (participates in β ladder)trans-107.4116.4177.1-51.50000108.9Y53 M58 K59T51-Y53 HydrophobicContact CG2-CD2 4.48Å; T51-Y53 HydrophobicContact CG2-CE1 4.05Å; T51-Y53 HydrophobicContact CG2-CE2 4.02Å; T51-M58 CarbonylContact O-C 3.42Å; T51-M58 WeakPolarHBondContact O-CA 3.08Å; T51-M58 VanDerWaalsContact O-CB 3.28Å; T51-M58 WeakPolarHBondContact O-CB 3.06Å; T51-K59 PolarHBondContact N-O 2.99Å; T51-K59 PolarHBondContact O-N 2.96Å
52Y89.1Confident91.2Very high135 Ų13582.8 Ų82.853%0.52942%0.42SS..EExtended strand (participates in β ladder)trans-94.1114.8173.6-63.9-93000108.9R50 M58R50-Y52 HydrophobicContact CB-CE2 4.04Å; R50-Y52 PolarHBondContact NE-OH 2.9Å; R50-Y52 PolarHBondContact NH1-OH 3.42Å; R50-Y52 PolarHBondContact NH2-OH 2.79Å; R50-Y52 VanDerWaalsContact NH2-OH 3.12Å; Y52-M58 HydrophobicContact CD1-CB 3.89Å; Y52-M58 HydrophobicContact CD1-SD 4.22Å; Y52-M58 HydrophobicContact CE1-CB 4.26Å; Y52-M58 HydrophobicContact CE1-CE 4.49Å; Y52-M58 HydrophobicContact CE1-SD 3.64Å; Y52-M58 HydrophobicContact CG-CB 4.37Å
53Y85.8Confident91.7Very high147 Ų14777.3 Ų77.358%0.57640%0.397SS*.SBendtrans-88.5-40.7174.9-64.1-80.1000110.9T51 R57 K59T51-Y53 HydrophobicContact CG2-CD2 4.48Å; T51-Y53 HydrophobicContact CG2-CE1 4.05Å; T51-Y53 HydrophobicContact CG2-CE2 4.02Å; Y53-R57 PolarHBondContact N-O 2.94Å; Y53-K59 HydrophobicContact CE2-CB 3.75Å
54T90.3Very high91.9Very high60 Ų6078.1 Ų78.137%0.36840%0.403SS..SBendtrans-139.5171.1171.772.50000108.4T56 R57T54-T56 PolarHBondContact O-N 2.89Å; T54-T56 PolarHBondContact OG1-N 2.99Å; T54-T56 PolarHBondContact OG1-OG1 2.8Å; T54-R57 PolarHBondContact N-O 3.32Å; T54-R57 VanDerWaalsContact N-O 3.08Å; T54-R57 PolarHBondContact O-N 2.64Å; T54-R57 VanDerWaalsContact O-O 3.08Å; T54-R57 WeakPolarHBondContact OG1-CB 3.07Å; T54-R57 PolarHBondContact OG1-N 3.27Å
55P87.6Confident92Very high137 Ų13776.4 Ų76.489%0.8939%0.387SS*.SBendtrans-56-24175.4-27.136.2000114.2
56T88.3Confident91.9Very high129 Ų12974.2 Ų74.279%0.79139%0.388SS*.SBendtrans-112.7-11.2-177.155.60000114T54T54-T56 PolarHBondContact O-N 2.89Å; T54-T56 PolarHBondContact OG1-N 2.99Å; T54-T56 PolarHBondContact OG1-OG1 2.8Å
57R90.6Very high91.7Very high184 Ų18480.1 Ų80.169%0.69440%0.401SS*.  trans-118.4117.5177.5-68-169.6-177.9-177.81.9110.5Y53 T54Y53-R57 PolarHBondContact N-O 2.94Å; T54-R57 PolarHBondContact N-O 3.32Å; T54-R57 VanDerWaalsContact N-O 3.08Å; T54-R57 PolarHBondContact O-N 2.64Å; T54-R57 VanDerWaalsContact O-O 3.08Å; T54-R57 WeakPolarHBondContact OG1-CB 3.07Å; T54-R57 PolarHBondContact OG1-N 3.27Å
58M91.7Very high91.4Very high29 Ų2980.7 Ų80.714%0.14341%0.409CS..EExtended strand (participates in β ladder)trans-134.6164.8172.963174.4139.700111.4N29 G30 D31 R50 T51 Y52N29-M58 CarbonylContact C-O 3.59Å; G30-M58 PolarHBondContact N-O 2.85Å; D31-M58 HydrophobicContact CB-CE 3.84Å; D31-M58 WeakPolarHBondContact OD1-CE 3.45Å; R50-M58 PolarHBondContact NH2-SD 2.03Å; T51-M58 CarbonylContact O-C 3.42Å; T51-M58 WeakPolarHBondContact O-CA 3.08Å; T51-M58 VanDerWaalsContact O-CB 3.28Å; T51-M58 WeakPolarHBondContact O-CB 3.06Å; Y52-M58 HydrophobicContact CD1-CB 3.89Å; Y52-M58 HydrophobicContact CD1-SD 4.22Å; Y52-M58 HydrophobicContact CE1-CB 4.26Å; Y52-M58 HydrophobicContact CE1-CE 4.49Å; Y52-M58 HydrophobicContact CE1-SD 3.64Å; Y52-M58 HydrophobicContact CG-CB 4.37Å
59K92.1Very high91Very high75 Ų7584.4 Ų84.433%0.32642%0.419SS..EExtended strand (participates in β ladder)trans-128.7138.6171.9179.8179.8-177.7-179.30108.6Y28 T51 Y53Y28-K59 CarbonylContact O-C 3.4Å; Y28-K59 WeakPolarHBondContact O-CA 3.48Å; Y28-K59 WeakPolarHBondContact O-CG 3.27Å; T51-K59 PolarHBondContact N-O 2.99Å; T51-K59 PolarHBondContact O-N 2.96Å; Y53-K59 HydrophobicContact CE2-CB 3.75Å
60V94.4Very high90.3Very high1 Ų190.5 Ų90.51%0.00644%0.444CS..EExtended strand (participates in β ladder)trans-108.7141.7170.166.80000109.2A27 Y28 C33 T48 T49 R50 K62A27-V60 WeakPolarHBondContact CA-O 3.33Å; Y28-V60 PolarHBondContact N-O 2.98Å; Y28-V60 PolarHBondContact O-N 2.78Å; C33-V60 HydrophobicContact CB-CG1 4.08Å; T48-V60 HydrophobicContact CG2-CG2 4.01Å; T49-V60 CarbonylContact O-C 3.56Å; T49-V60 WeakPolarHBondContact O-CA 3.25Å; R50-V60 HydrophobicContact CG-CG2 4.25Å; V60-K62 HydrophobicContact CG2-CG 4.14Å
61S95.5Very high89.4Confident47 Ų4790 Ų9033%0.32946%0.455SS..EExtended strand (participates in β ladder)trans-133.9130.7168.8-177.90000109C26 T48 T49C26-S61 CarbonylContact O-C 3.55Å; C26-S61 WeakPolarHBondContact O-CA 3.39Å; T48-S61 CarbonylContact C-O 3.46Å; T48-S61 WeakPolarHBondContact CA-O 3.03Å; T49-S61 PolarHBondContact N-O 3.1Å; T49-S61 PolarHBondContact O-N 2.81Å
62K96.8Very high88.6Confident23 Ų2391.3 Ų91.310%0.146%0.463CS..EExtended strand (participates in β ladder)trans-124.2136.6179.4-52.2-177.4-173.8-76.50109.5H24 V25 C26 N32 C33 M47 T48 V60H24-K62 HydrophobicContact CB-CB 4.31Å; H24-K62 HydrophobicContact CB-CD 3.56Å; H24-K62 CarbonylContact O-C 3.57Å; H24-K62 WeakPolarHBondContact O-CB 3.41Å; V25-K62 WeakPolarHBondContact CA-O 3.33Å; C26-K62 PolarHBondContact N-O 2.85Å; C26-K62 VanDerWaalsContact N-O 3.1Å; C26-K62 PolarHBondContact O-N 2.89Å; N32-K62 WeakPolarHBondContact OD1-CE 3.32Å; N32-K62 PolarHBondContact OD1-NZ 3.19Å; C33-K62 WeakPolarHBondContact O-CE 2.82Å; M47-K62 CarbonylContact O-C 3.57Å; M47-K62 VanDerWaalsContact O-CA 3.25Å; M47-K62 WeakPolarHBondContact O-CA 3.45Å; T48-K62 HydrophobicContact CG2-CG 4.14Å; V60-K62 HydrophobicContact CG2-CG 4.14Å
63S95.5Very high87.1Confident38 Ų3894.1 Ų94.127%0.26647%0.474SS..EExtended strand (participates in β ladder)trans-154164.7-175.861.70000112.8M47M47-S63 PolarHBondContact N-O 2.93Å; M47-S63 PolarHBondContact O-N 3.41Å
64C95.6Very high85.5Confident32 Ų3291.7 Ų91.722%0.21647%0.471CS..EExtended strand (participates in β ladder)trans-89.4124.4172-66.60000109.1V25 C39 V43V25-C64 VanDerWaalsContact CG2-SG 3.53Å; C39-C64 VanDerWaalsContact CA-SG 3.57Å; C39-C64 HydrophobicContact CB-CB 3.79Å; C39-C64 WeakPolarHBondContact CB-SG 3.06Å; C39-C64 WeakPolarHBondContact SG-CB 3.11Å; C39-C64 CovalentContact SG-SG 2.04Å; C39-C64 PolarHBondContact SG-SG 2.04Å; V43-C64 HydrophobicContact CB-CB 4.4Å; V43-C64 HydrophobicContact CG1-CB 3.77Å; V43-C64 HydrophobicContact CG2-CB 4.05Å
65V94Very high83.8Confident23 Ų2391.8 Ų91.814%0.13948%0.484CS..EExtended strand (participates in β ladder)trans-134.7143.8179.3-62.20000113V43 Y45 M47 R67 C68V43-V65 WeakPolarHBondContact CG1-O 3.28Å; Y45-V65 PolarHBondContact N-O 3.08Å; Y45-V65 PolarHBondContact O-N 3.39Å; M47-V65 HydrophobicContact CB-CG1 4.01Å; M47-V65 HydrophobicContact CB-CG2 3.73Å; M47-V65 HydrophobicContact SD-CG1 4.13Å; V65-R67 VanDerWaalsContact C-N 3.26Å; V65-R67 WeakPolarHBondContact CB-O 3.35Å; V65-R67 WeakPolarHBondContact CG2-O 3.24Å; V65-R67 PolarHBondContact O-N 2.88Å; V65-C68 HydrophobicContact CG2-CB 4.12Å
66P91.1Very high82Confident81 Ų8193.9 Ų93.953%0.52648%0.475SS..SBendtrans-67.8-27.8177.828-34.8000112.6Y45Y45-P66 WeakPolarHBondContact CD2-O 3.13Å
67R89.3Confident80.2Confident187 Ų18790.4 Ų90.471%0.70646%0.456SS*.SBendtrans-141.3143.1174.5-70.8-171.4164.8150.1-2.1109.5V65 F69V65-R67 VanDerWaalsContact C-N 3.26Å; V65-R67 WeakPolarHBondContact CB-O 3.35Å; V65-R67 WeakPolarHBondContact CG2-O 3.24Å; V65-R67 PolarHBondContact O-N 2.88Å; R67-F69 HydrophobicContact CB-CE2 4.18Å; R67-F69 HydrophobicContact CB-CZ 4.23Å
68C87.4Confident78.1Confident60 Ų6089 Ų8941%0.40546%0.455SS..  trans-118.6131.6176.8-1690000108.9Y45 V65Y45-C68 HydrophobicContact CG-CB 4.33Å; V65-C68 HydrophobicContact CG2-CB 4.12Å
69F84.7Confident76Confident155 Ų15595.2 Ų95.268%0.6848%0.484SS*.  trans-117.2130.8173.9-57.5-76.1000108.1R67 T71R67-F69 HydrophobicContact CB-CE2 4.18Å; R67-F69 HydrophobicContact CB-CZ 4.23Å; F69-T71 PolarHBondContact O-N 3.12Å
70E78.3Confident73.7Confident177 Ų17796 Ų9683%0.82750%0.504SS*.  trans-73.2123.5175.5-165.7164.5-16100108.8V72E70-V72 VanDerWaalsContact C-N 3.28Å; E70-V72 PolarHBondContact O-N 2.83Å
71T71.6Confident71.3Confident113 Ų113101.5 Ų101.569%0.69354%0.542SS*.  trans-76.686.6171.455.90000107.7F69 Y73F69-T71 PolarHBondContact O-N 3.12Å; T71-Y73 PolarHBondContact O-N 3.34Å
72V70.4Confident68.4Low85 Ų85109.2 Ų109.252%0.51559%0.588SS.*  trans-66120.8172.2-177.80000107.4E70 D74 S77E70-V72 VanDerWaalsContact C-N 3.28Å; E70-V72 PolarHBondContact O-N 2.83Å; V72-D74 HydrophobicContact CG1-CB 4.33Å; V72-D74 PolarHBondContact O-N 3.36Å; V72-S77 VanDerWaalsContact O-CB 3.31Å; V72-S77 WeakPolarHBondContact O-CB 2.78Å; V72-S77 PolarHBondContact O-OG 3.05Å
73Y58.3Low67Low193 Ų193113.6 Ų113.676%0.75761%0.612SS**  trans-82.876.1176-144.9-87.9000108.8T71 G75T71-Y73 PolarHBondContact O-N 3.34Å; Y73-G75 VanDerWaalsContact C-N 3.3Å
74D52.9Low65.5Low97 Ų97117.5 Ų117.552%0.51963%0.631SS.*SBendtrans-88.33.9175.163.8-10.9000112.9V72 Y76 S77V72-D74 HydrophobicContact CG1-CB 4.33Å; V72-D74 PolarHBondContact O-N 3.36Å; D74-Y76 PolarHBondContact O-N 3.5Å; D74-Y76 PolarHBondContact OD1-N 3.29Å; D74-S77 WeakPolarHBondContact OD1-CB 3.35Å; D74-S77 PolarHBondContact OD1-N 3.46Å; D74-S77 PolarHBondContact OD1-OG 3.03Å
75G54.2Low63.8Low61 Ų61122.3 Ų122.363%0.62965%0.654SS**SBendtrans78.5-8.7-17300000114.3Y73Y73-G75 VanDerWaalsContact C-N 3.3Å
76Y49.1Very low62.1Low181 Ų181128.1 Ų128.171%0.7168%0.684SS**  trans-108.3-20.9-177.7-157.9-100.3000113.1D74 K78D74-Y76 PolarHBondContact O-N 3.5Å; D74-Y76 PolarHBondContact OD1-N 3.29Å; Y76-K78 PolarHBondContact O-N 3.38Å
77S51Low60.2Low57 Ų57131.1 Ų131.140%0.39969%0.694SS.*G310 helixtrans-73.210.9-169.5-64.80000117.2V72 D74 H79V72-S77 VanDerWaalsContact O-CB 3.31Å; V72-S77 WeakPolarHBondContact O-CB 2.78Å; V72-S77 PolarHBondContact O-OG 3.05Å; D74-S77 WeakPolarHBondContact OD1-CB 3.35Å; D74-S77 PolarHBondContact OD1-N 3.46Å; D74-S77 PolarHBondContact OD1-OG 3.03Å; S77-H79 PolarHBondContact O-N 2.96Å
78K46.2Very low58.3Low154 Ų154127.3 Ų127.367%0.6769%0.693SS**G310 helixtrans-72.1-5.1177.3-54.9-155-177.7-167.90113.8Y76Y76-K78 PolarHBondContact O-N 3.38Å
79H46.6Very low56.2Low160 Ų160132.1 Ų132.174%0.74171%0.713SS**G310 helixtrans-99.40.7-174.9-64.9-64.8000115.3S77 S81S77-H79 PolarHBondContact O-N 2.96Å; H79-S81 PolarHBondContact O-N 3.37Å
80A44.6Very low54Low90 Ų90130.4 Ų130.474%0.74472%0.716SS**  trans-94.720.3-176.300000114.6
81S43.3Very low52Low117 Ų117126.5 Ų126.582%0.81871%0.707SS**  trans-110.692.7170.1-580000108.6H79H79-S81 PolarHBondContact O-N 3.37Å
82T36Very low50.2Low210 Ų210127.7 Ų127.7100%1.28871%0.708SS**  trans-84.40162.5-57.50000109.1

Retrieved 82 of 82 residues in 254.7 ms (Link to these results)