A0A096N4N6_PAPAN Loading...

Prefoldin subunit 1

Binds specifically to cytosolic chaperonin (c-CPN) and transfers target proteins to it. Binds to nascent polypeptide chain and promotes folding in an environment in which there are many competing pathways for nonnative proteins.

AlphaFold DB (Q5RAM7), UniProt , Accession A0A096N4N6, Species PAPAN (Papio anubis, Olive baboon), Gene PFDN1, Length 122 aa.

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

 

Download Structure   PDB   PAE   Table  
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
1M46.2Very low74.5Confident242 Ų242102.7 Ų102.7100%1.19256%0.557SS**  0118.30-68.3177.2-176.100106.4A3M1-A3 PolarHBondContact O-N 3.17Å
2A53Low76Confident85 Ų8595.7 Ų95.770%0.70252%0.523SS*.  trans-58.8132.3173.400000108.1
3A63.8Low77.3Confident47 Ų4795.2 Ų95.239%0.38851%0.514SS..  trans-59143.2178.900000108.8M1 V5 D6M1-A3 PolarHBondContact O-N 3.17Å; A3-V5 PolarHBondContact O-N 3.34Å; A3-D6 PolarHBondContact O-N 2.72Å
4P69.1Low78.5Confident101 Ų10194.4 Ų94.466%0.65651%0.513SS*.Hα-helixtrans-50.8-31.6-177.817.8-31.1000113.1D6 L7 E8P4-D6 PolarHBondContact O-N 3.5Å; P4-L7 WeakPolarHBondContact O-CB 3.33Å; P4-L7 PolarHBondContact O-N 3.22Å; P4-E8 PolarHBondContact O-N 3.34Å
5V67.3Low79.5Confident79 Ų7997.2 Ų97.248%0.47952%0.522SS..Hα-helixtrans-65.5-34.4177.4-175.70000113.4A3 L7 E8 L9A3-V5 PolarHBondContact O-N 3.34Å; V5-L7 PolarHBondContact O-N 3.34Å; V5-E8 PolarHBondContact O-N 2.96Å; V5-L9 WeakPolarHBondContact O-CB 3.26Å; V5-L9 PolarHBondContact O-N 2.76Å
6D80.3Confident80.5Confident60 Ų6092.6 Ų92.632%0.32150%0.497SS..Hα-helixtrans-67.6-30.1176.7-72.3-34.2000111.2A3 P4 K10 R119A3-D6 PolarHBondContact O-N 2.72Å; P4-D6 PolarHBondContact O-N 3.5Å; D6-K10 VanDerWaalsContact O-CB 3.25Å; D6-K10 WeakPolarHBondContact O-CB 3.43Å; D6-K10 PolarHBondContact O-N 3.36Å; D6-R119 IonicContact OD1-CZ 3.92Å; D6-R119 VanDerWaalsContact OD1-CZ 3.26Å; D6-R119 IonicContact OD1-NH1 3.86Å; D6-R119 PolarHBondContact OD1-NH1 3.38Å; D6-R119 IonicContact OD1-NH2 2.78Å; D6-R119 PolarHBondContact OD1-NH2 2.93Å; D6-R119 IonicContact OD2-NH2 3.73Å
7L85.5Confident81.3Confident97 Ų9794.6 Ų94.651%0.50850%0.503SS..Hα-helixtrans-72.1-41.3176.1-172.966.5000111.5P4 V5 K10 K11P4-L7 WeakPolarHBondContact O-CB 3.33Å; P4-L7 PolarHBondContact O-N 3.22Å; V5-L7 PolarHBondContact O-N 3.34Å; L7-K10 PolarHBondContact O-N 2.99Å; L7-K11 VanDerWaalsContact O-CG 3.31Å; L7-K11 WeakPolarHBondContact O-CG 3.35Å; L7-K11 PolarHBondContact O-N 3.45Å
8E85.7Confident82.2Confident126 Ų12692.7 Ų92.759%0.58950%0.502SS*.Hα-helixtrans-62.6-47.5175.5-71178.4175.600111.6P4 V5 K10 K11 A12P4-E8 PolarHBondContact O-N 3.34Å; V5-E8 PolarHBondContact O-N 2.96Å; E8-K10 VanDerWaalsContact C-N 3.34Å; E8-K10 PolarHBondContact O-N 2.69Å; E8-K11 WeakPolarHBondContact O-CB 3.23Å; E8-K11 PolarHBondContact O-N 3.02Å; E8-A12 PolarHBondContact O-N 3.15Å
9L88.5Confident82.9Confident26 Ų2691.4 Ų91.414%0.13649%0.491CS..Hα-helixtrans-61.7-43.5177.6-175.565.5000111.5V5 K11 A12 F13 I112 L116V5-L9 WeakPolarHBondContact O-CB 3.26Å; V5-L9 PolarHBondContact O-N 2.76Å; L9-K11 VanDerWaalsContact C-N 3.32Å; L9-K11 PolarHBondContact O-N 3.21Å; L9-A12 PolarHBondContact O-N 3.01Å; L9-F13 HydrophobicContact CD1-CD2 4.05Å; L9-F13 HydrophobicContact CD1-CE2 3.6Å; L9-F13 HydrophobicContact CD1-CZ 4.42Å; L9-F13 HydrophobicContact CD2-CE2 4.07Å; L9-F13 HydrophobicContact CG-CD2 3.84Å; L9-F13 HydrophobicContact CG-CE2 3.59Å; L9-F13 WeakPolarHBondContact O-CD2 3.31Å; L9-F13 PolarHBondContact O-N 3.42Å; L9-I112 HydrophobicContact CD1-CG2 4.36Å; L9-L116 HydrophobicContact CD1-CD2 4.06Å; L9-L116 HydrophobicContact CD1-CG 4.33Å; L9-L116 HydrophobicContact CD2-CD2 3.67Å; L9-L116 HydrophobicContact CG-CD2 4.49Å
10K88.8Confident83.6Confident146 Ų14688.5 Ų88.564%0.63548%0.477SS*.Hα-helixtrans-60.9-41.2175.7-175.1175.8-179.4178.90111.8D6 L7 E8 T14D6-K10 VanDerWaalsContact O-CB 3.25Å; D6-K10 WeakPolarHBondContact O-CB 3.43Å; D6-K10 PolarHBondContact O-N 3.36Å; L7-K10 PolarHBondContact O-N 2.99Å; E8-K10 VanDerWaalsContact C-N 3.34Å; E8-K10 PolarHBondContact O-N 2.69Å; K10-T14 PolarHBondContact O-N 2.92Å; K10-T14 VanDerWaalsContact O-N 3.14Å; K10-T14 PolarHBondContact O-OG1 3.5Å; K10-T14 VanDerWaalsContact O-OG1 3.1Å
11K91.9Very high84.2Confident121 Ų12188 Ų8853%0.52647%0.473SS..Hα-helixtrans-63.1-48.1175-75.5176178-176.50111.4L7 E8 L9 F13 T14 E15L7-K11 VanDerWaalsContact O-CG 3.31Å; L7-K11 WeakPolarHBondContact O-CG 3.35Å; L7-K11 PolarHBondContact O-N 3.45Å; E8-K11 WeakPolarHBondContact O-CB 3.23Å; E8-K11 PolarHBondContact O-N 3.02Å; L9-K11 VanDerWaalsContact C-N 3.32Å; L9-K11 PolarHBondContact O-N 3.21Å; K11-F13 VanDerWaalsContact C-N 3.31Å; K11-F13 PolarHBondContact O-N 3.29Å; K11-T14 PolarHBondContact O-N 3.26Å; K11-T14 VanDerWaalsContact O-N 3.12Å; K11-E15 WeakPolarHBondContact O-CG 3.33Å; K11-E15 PolarHBondContact O-N 3.33Å
12A92.4Very high86.6Confident18 Ų1879.5 Ų79.515%0.14943%0.433CS..Hα-helixtrans-58.5-41.1178.300000112.2E8 L9 E15 L16 I112 M115E8-A12 PolarHBondContact O-N 3.15Å; L9-A12 PolarHBondContact O-N 3.01Å; A12-E15 PolarHBondContact O-N 2.94Å; A12-L16 WeakPolarHBondContact O-CB 3.48Å; A12-L16 PolarHBondContact O-N 3.14Å; A12-I112 HydrophobicContact CB-CD1 4.12Å; A12-I112 HydrophobicContact CB-CG1 4.03Å; A12-I112 WeakPolarHBondContact O-CD1 3.4Å; A12-M115 HydrophobicContact CB-CE 3.82Å
13F92.3Very high88.7Confident90 Ų9076 Ų7640%0.39540%0.402SS..Hα-helixtrans-63.3-43.3174.4-84.7-63.4000113.2L9 K11 E15 L16 Q17 I112 L116L9-F13 HydrophobicContact CD1-CD2 4.05Å; L9-F13 HydrophobicContact CD1-CE2 3.6Å; L9-F13 HydrophobicContact CD1-CZ 4.42Å; L9-F13 HydrophobicContact CD2-CE2 4.07Å; L9-F13 HydrophobicContact CG-CD2 3.84Å; L9-F13 HydrophobicContact CG-CE2 3.59Å; L9-F13 WeakPolarHBondContact O-CD2 3.31Å; L9-F13 PolarHBondContact O-N 3.42Å; K11-F13 VanDerWaalsContact C-N 3.31Å; K11-F13 PolarHBondContact O-N 3.29Å; F13-E15 VanDerWaalsContact C-N 3.34Å; F13-L16 PolarHBondContact O-N 2.85Å; F13-Q17 WeakPolarHBondContact O-CB 3.49Å; F13-Q17 PolarHBondContact O-N 2.88Å; F13-I112 HydrophobicContact CD1-CG2 4.19Å; F13-I112 HydrophobicContact CE1-CG2 3.59Å; F13-I112 HydrophobicContact CE2-CG2 4.15Å; F13-I112 HydrophobicContact CZ-CG2 3.57Å; F13-L116 HydrophobicContact CZ-CD1 4.2Å
14T94.1Very high90.2Very high83 Ų8378.9 Ų78.951%0.50941%0.408SS..Hα-helixtrans-62.3-42.6176.3-590000111.3K10 K11 Q17 A18K10-T14 PolarHBondContact O-N 2.92Å; K10-T14 VanDerWaalsContact O-N 3.14Å; K10-T14 PolarHBondContact O-OG1 3.5Å; K10-T14 VanDerWaalsContact O-OG1 3.1Å; K11-T14 PolarHBondContact O-N 3.26Å; K11-T14 VanDerWaalsContact O-N 3.12Å; T14-Q17 PolarHBondContact O-N 3.34Å; T14-A18 PolarHBondContact O-N 2.68Å
15E94.2Very high91.5Very high137 Ų13779.7 Ų79.764%0.6440%0.403SS*.Hα-helixtrans-65.5-43.5177-72.3175.5-168.200111.9K11 A12 F13 Q17 A18 K19K11-E15 WeakPolarHBondContact O-CG 3.33Å; K11-E15 PolarHBondContact O-N 3.33Å; A12-E15 PolarHBondContact O-N 2.94Å; F13-E15 VanDerWaalsContact C-N 3.34Å; E15-Q17 VanDerWaalsContact C-N 3.35Å; E15-Q17 PolarHBondContact O-N 3.17Å; E15-A18 PolarHBondContact O-N 2.68Å; E15-K19 WeakPolarHBondContact O-CB 3.48Å; E15-K19 PolarHBondContact O-N 3.49Å
16L95.5Very high93Very high24 Ų2480 Ų8013%0.12640%0.398CS..Hα-helixtrans-59.6-46.6174.1175.466.4000110.9A12 F13 A18 K19 V20 A108 E109 I112A12-L16 WeakPolarHBondContact O-CB 3.48Å; A12-L16 PolarHBondContact O-N 3.14Å; F13-L16 PolarHBondContact O-N 2.85Å; L16-A18 VanDerWaalsContact C-N 3.33Å; L16-A18 PolarHBondContact O-N 3.31Å; L16-K19 PolarHBondContact O-N 3.23Å; L16-K19 VanDerWaalsContact O-N 3.17Å; L16-V20 HydrophobicContact CD1-CG2 4.03Å; L16-V20 HydrophobicContact CG-CG2 4.23Å; L16-V20 WeakPolarHBondContact O-CB 3.48Å; L16-V20 VanDerWaalsContact O-CG2 3.24Å; L16-V20 WeakPolarHBondContact O-CG2 3.45Å; L16-V20 PolarHBondContact O-N 3.36Å; L16-A108 HydrophobicContact CD1-CB 3.71Å; L16-E109 HydrophobicContact CD1-CG 3.78Å; L16-E109 HydrophobicContact CD2-CG 3.96Å; L16-E109 HydrophobicContact CG-CG 4.47Å; L16-I112 HydrophobicContact CB-CD1 3.5Å; L16-I112 HydrophobicContact CD2-CD1 3.54Å; L16-I112 HydrophobicContact CG-CD1 4.02Å
17Q94.4Very high93.7Very high127 Ų12778 Ų7859%0.59339%0.388SS*.Hα-helixtrans-59.7-44.7179.1-173.1179.41400111.3F13 T14 E15 K19 V20 I21F13-Q17 WeakPolarHBondContact O-CB 3.49Å; F13-Q17 PolarHBondContact O-N 2.88Å; T14-Q17 PolarHBondContact O-N 3.34Å; E15-Q17 VanDerWaalsContact C-N 3.35Å; E15-Q17 PolarHBondContact O-N 3.17Å; Q17-K19 VanDerWaalsContact C-N 3.35Å; Q17-K19 PolarHBondContact O-N 3.36Å; Q17-V20 PolarHBondContact O-N 3.34Å; Q17-I21 HydrophobicContact CG-CD1 4.15Å; Q17-I21 WeakPolarHBondContact O-CG1 3.28Å; Q17-I21 PolarHBondContact O-N 3.39Å; Q17-I21 VanDerWaalsContact O-N 3.08Å
18A95.9Very high94.3Very high59 Ų5980 Ų8049%0.48839%0.392SS..Hα-helixtrans-61.1-44.2175.700000111.6T14 E15 L16 I21 D22T14-A18 PolarHBondContact O-N 2.68Å; E15-A18 PolarHBondContact O-N 2.68Å; L16-A18 VanDerWaalsContact C-N 3.33Å; L16-A18 PolarHBondContact O-N 3.31Å; A18-I21 PolarHBondContact O-N 3.01Å; A18-D22 WeakPolarHBondContact O-CB 3.42Å; A18-D22 PolarHBondContact O-N 2.96Å
19K95.8Very high94.8Very high68 Ų6879.1 Ų79.130%0.29639%0.391SS..Hα-helixtrans-63.7-40.5178.5-168.4178.8-172.1-179.60112.7E15 L16 Q17 T23 S104 V105 A108E15-K19 WeakPolarHBondContact O-CB 3.48Å; E15-K19 PolarHBondContact O-N 3.49Å; L16-K19 PolarHBondContact O-N 3.23Å; L16-K19 VanDerWaalsContact O-N 3.17Å; Q17-K19 VanDerWaalsContact C-N 3.35Å; Q17-K19 PolarHBondContact O-N 3.36Å; K19-T23 WeakPolarHBondContact O-CB 3.08Å; K19-T23 PolarHBondContact O-N 3.46Å; K19-T23 PolarHBondContact O-OG1 3.36Å; K19-S104 WeakPolarHBondContact CE-O 3.4Å; K19-S104 WeakPolarHBondContact CE-OG 3.45Å; K19-S104 PolarHBondContact NZ-O 3.16Å; K19-S104 PolarHBondContact NZ-OG 2.96Å; K19-V105 HydrophobicContact CG-CG2 4.29Å; K19-A108 HydrophobicContact CD-CB 4.03Å
20V96.5Very high95.3Very high34 Ų3478.1 Ų78.121%0.20639%0.387CS..Hα-helixtrans-62.8-47.8176.3169.70000110.3L16 Q17 T23 Q24 V105L16-V20 HydrophobicContact CD1-CG2 4.03Å; L16-V20 HydrophobicContact CG-CG2 4.23Å; L16-V20 WeakPolarHBondContact O-CB 3.48Å; L16-V20 VanDerWaalsContact O-CG2 3.24Å; L16-V20 WeakPolarHBondContact O-CG2 3.45Å; L16-V20 PolarHBondContact O-N 3.36Å; Q17-V20 PolarHBondContact O-N 3.34Å; V20-T23 PolarHBondContact O-N 2.89Å; V20-Q24 HydrophobicContact CG1-CG 4.45Å; V20-Q24 WeakPolarHBondContact O-CB 3.31Å; V20-Q24 VanDerWaalsContact O-CG 3.29Å; V20-Q24 WeakPolarHBondContact O-CG 3.5Å; V20-Q24 PolarHBondContact O-N 3.32Å; V20-V105 HydrophobicContact CG2-CG1 3.66Å
21I96.9Very high95.7Very high79 Ų7974.1 Ų74.141%0.40537%0.372SS..Hα-helixtrans-62-49.2180-67.8167.3000110.8Q17 A18 T23 Q24 Q25Q17-I21 HydrophobicContact CG-CD1 4.15Å; Q17-I21 WeakPolarHBondContact O-CG1 3.28Å; Q17-I21 PolarHBondContact O-N 3.39Å; Q17-I21 VanDerWaalsContact O-N 3.08Å; A18-I21 PolarHBondContact O-N 3.01Å; I21-T23 VanDerWaalsContact C-N 3.34Å; I21-T23 PolarHBondContact O-N 3.12Å; I21-Q24 PolarHBondContact O-N 3.23Å; I21-Q25 WeakPolarHBondContact O-CG 3.22Å; I21-Q25 PolarHBondContact O-N 3.41Å; I21-Q25 VanDerWaalsContact O-N 3.07Å
22D96.2Very high96Very high63 Ų6373.3 Ų73.334%0.33737%0.372SS..Hα-helixtrans-60.6-43.2178.3175.564.8000111.6A18 Q25 K26A18-D22 WeakPolarHBondContact O-CB 3.42Å; A18-D22 PolarHBondContact O-N 2.96Å; D22-Q25 PolarHBondContact O-N 3.47Å; D22-K26 VanDerWaalsContact CG-NZ 3.32Å; D22-K26 WeakPolarHBondContact O-CG 3.48Å; D22-K26 PolarHBondContact O-N 2.82Å; D22-K26 WeakPolarHBondContact OD1-CE 3.46Å; D22-K26 IonicContact OD1-NZ 2.67Å; D22-K26 PolarHBondContact OD1-NZ 3.11Å; D22-K26 VanDerWaalsContact OD1-NZ 3.17Å; D22-K26 WeakPolarHBondContact OD2-CE 3.34Å; D22-K26 IonicContact OD2-NZ 2.71Å; D22-K26 PolarHBondContact OD2-NZ 3.45Å
23T96.9Very high96.2Very high10 Ų1076.9 Ų76.96%0.06139%0.386CS..Hα-helixtrans-62.1-48176.8-64.20000111.5K19 V20 I21 Q25 K26 V27 L101 V105K19-T23 WeakPolarHBondContact O-CB 3.08Å; K19-T23 PolarHBondContact O-N 3.46Å; K19-T23 PolarHBondContact O-OG1 3.36Å; V20-T23 PolarHBondContact O-N 2.89Å; I21-T23 VanDerWaalsContact C-N 3.34Å; I21-T23 PolarHBondContact O-N 3.12Å; T23-Q25 VanDerWaalsContact C-N 3.28Å; T23-Q25 PolarHBondContact O-N 2.92Å; T23-K26 PolarHBondContact O-N 2.96Å; T23-V27 HydrophobicContact CG2-CG2 4.04Å; T23-V27 WeakPolarHBondContact O-CB 3.45Å; T23-V27 VanDerWaalsContact O-CG2 3.25Å; T23-V27 WeakPolarHBondContact O-CG2 3.36Å; T23-V27 PolarHBondContact O-N 2.8Å; T23-L101 HydrophobicContact CG2-CB 3.79Å; T23-V105 HydrophobicContact CG2-CG2 3.61Å; T23-V105 WeakPolarHBondContact OG1-CG2 3.43Å
24Q96.1Very high96.5Very high109 Ų10973.5 Ų73.551%0.50937%0.372SS..Hα-helixtrans-59-39.7178.3-75.3176.5-3.300112.2V20 I21 K28V20-Q24 HydrophobicContact CG1-CG 4.45Å; V20-Q24 WeakPolarHBondContact O-CB 3.31Å; V20-Q24 VanDerWaalsContact O-CG 3.29Å; V20-Q24 WeakPolarHBondContact O-CG 3.5Å; V20-Q24 PolarHBondContact O-N 3.32Å; I21-Q24 PolarHBondContact O-N 3.23Å; Q24-K28 WeakPolarHBondContact O-CB 3.43Å; Q24-K28 VanDerWaalsContact O-CG 3.27Å; Q24-K28 WeakPolarHBondContact O-CG 3.11Å; Q24-K28 PolarHBondContact O-N 3.4Å; Q24-K28 VanDerWaalsContact O-N 3.1Å
25Q97.1Very high96.7Very high118 Ų11876.4 Ų76.455%0.55138%0.38SS*.Hα-helixtrans-65.1-47.1175.7-70.6177.7-1.300111.7I21 D22 T23 V27 K28 L29I21-Q25 WeakPolarHBondContact O-CG 3.22Å; I21-Q25 PolarHBondContact O-N 3.41Å; I21-Q25 VanDerWaalsContact O-N 3.07Å; D22-Q25 PolarHBondContact O-N 3.47Å; T23-Q25 VanDerWaalsContact C-N 3.28Å; T23-Q25 PolarHBondContact O-N 2.92Å; Q25-V27 PolarHBondContact O-N 2.91Å; Q25-K28 PolarHBondContact O-N 3.38Å; Q25-L29 WeakPolarHBondContact O-CG 3.48Å; Q25-L29 PolarHBondContact O-N 2.67Å
26K97.1Very high96.9Very high86 Ų8676.1 Ų76.137%0.37438%0.378SS..Hα-helixtrans-64.5-39.4179.3-74.5172.4178.21650112.8D22 T23 L29 A30 L101D22-K26 VanDerWaalsContact CG-NZ 3.32Å; D22-K26 WeakPolarHBondContact O-CG 3.48Å; D22-K26 PolarHBondContact O-N 2.82Å; D22-K26 WeakPolarHBondContact OD1-CE 3.46Å; D22-K26 IonicContact OD1-NZ 2.67Å; D22-K26 PolarHBondContact OD1-NZ 3.11Å; D22-K26 VanDerWaalsContact OD1-NZ 3.17Å; D22-K26 WeakPolarHBondContact OD2-CE 3.34Å; D22-K26 IonicContact OD2-NZ 2.71Å; D22-K26 PolarHBondContact OD2-NZ 3.45Å; T23-K26 PolarHBondContact O-N 2.96Å; K26-L29 PolarHBondContact O-N 3.34Å; K26-A30 WeakPolarHBondContact O-CB 3.5Å; K26-A30 PolarHBondContact O-N 2.88Å; K26-L101 HydrophobicContact CB-CD1 3.63Å; K26-L101 HydrophobicContact CD-CD1 4.21Å; K26-L101 HydrophobicContact CD-CD2 4.31Å
27V96.8Very high97Very high18 Ų1876.4 Ų76.411%0.10938%0.38CS..Hα-helixtrans-63.8-46.4176170.50000110.5T23 Q25 L29 A30 D31 K98 E102T23-V27 HydrophobicContact CG2-CG2 4.04Å; T23-V27 WeakPolarHBondContact O-CB 3.45Å; T23-V27 VanDerWaalsContact O-CG2 3.25Å; T23-V27 WeakPolarHBondContact O-CG2 3.36Å; T23-V27 PolarHBondContact O-N 2.8Å; Q25-V27 PolarHBondContact O-N 2.91Å; V27-L29 VanDerWaalsContact C-N 3.33Å; V27-L29 PolarHBondContact O-N 3.24Å; V27-A30 WeakPolarHBondContact O-CB 3.27Å; V27-A30 PolarHBondContact O-N 3.38Å; V27-A30 VanDerWaalsContact O-N 3.14Å; V27-D31 PolarHBondContact O-N 3.31Å; V27-K98 HydrophobicContact CG1-CD 3.94Å; V27-K98 HydrophobicContact CG1-CG 4.02Å; V27-K98 HydrophobicContact CG2-CG 4.16Å; V27-E102 HydrophobicContact CG2-CG 4.41Å
28K97Very high97.2Very high139 Ų13973.2 Ų73.260%0.60437%0.367SS*.Hα-helixtrans-58.6-42.5175.6-74.9175.4-178.6-177.70112.7Q24 Q25 D31 I32Q24-K28 WeakPolarHBondContact O-CB 3.43Å; Q24-K28 VanDerWaalsContact O-CG 3.27Å; Q24-K28 WeakPolarHBondContact O-CG 3.11Å; Q24-K28 PolarHBondContact O-N 3.4Å; Q24-K28 VanDerWaalsContact O-N 3.1Å; Q25-K28 PolarHBondContact O-N 3.38Å; K28-D31 PolarHBondContact O-N 3.21Å; K28-I32 WeakPolarHBondContact O-CG1 3.44Å; K28-I32 PolarHBondContact O-N 3.4Å
29L97.1Very high97.3Very high106 Ų10680 Ų8056%0.55538%0.38SS*.Hα-helixtrans-64-41.7176-72.7174.4000111.9Q25 K26 V27 I32 Q33Q25-L29 WeakPolarHBondContact O-CG 3.48Å; Q25-L29 PolarHBondContact O-N 2.67Å; K26-L29 PolarHBondContact O-N 3.34Å; V27-L29 VanDerWaalsContact C-N 3.33Å; V27-L29 PolarHBondContact O-N 3.24Å; L29-I32 PolarHBondContact O-N 3.19Å; L29-Q33 WeakPolarHBondContact O-CG 3.25Å; L29-Q33 PolarHBondContact O-N 2.94Å; L29-Q33 VanDerWaalsContact O-N 3.09Å
30A97.5Very high97.3Very high6 Ų679.2 Ų79.25%0.0538%0.381CS..Hα-helixtrans-62.9-41.6176.200000111.7K26 V27 I32 Q33 I34 L94K26-A30 WeakPolarHBondContact O-CB 3.5Å; K26-A30 PolarHBondContact O-N 2.88Å; V27-A30 WeakPolarHBondContact O-CB 3.27Å; V27-A30 PolarHBondContact O-N 3.38Å; V27-A30 VanDerWaalsContact O-N 3.14Å; A30-I32 PolarHBondContact O-N 2.89Å; A30-Q33 PolarHBondContact O-N 3.07Å; A30-I34 WeakPolarHBondContact O-CB 3.45Å; A30-I34 VanDerWaalsContact O-CG1 3.26Å; A30-I34 WeakPolarHBondContact O-CG1 3.31Å; A30-I34 PolarHBondContact O-N 3.44Å; A30-L94 HydrophobicContact CB-CD2 4.28Å
31D97.6Very high97.4Very high62 Ų6280.4 Ų80.433%0.33238%0.383SS..Hα-helixtrans-60.7-45178.2-70.3-28.3000111.9V27 K28 Q33 I34 E35 K98V27-D31 PolarHBondContact O-N 3.31Å; K28-D31 PolarHBondContact O-N 3.21Å; D31-Q33 VanDerWaalsContact C-N 3.34Å; D31-Q33 PolarHBondContact O-N 2.94Å; D31-I34 PolarHBondContact O-N 3.41Å; D31-E35 PolarHBondContact O-N 3.31Å; D31-K98 IonicContact OD1-NZ 3.37Å; D31-K98 PolarHBondContact OD1-NZ 2.9Å; D31-K98 IonicContact OD2-NZ 2.67Å; D31-K98 PolarHBondContact OD2-NZ 2.65Å
32I97.9Very high97.4Very high103 Ų10383.3 Ų83.353%0.52839%0.393SS..Hα-helixtrans-62.4-42.3176.2-64.4165.2000111K28 L29 A30 E35 Q36K28-I32 WeakPolarHBondContact O-CG1 3.44Å; K28-I32 PolarHBondContact O-N 3.4Å; L29-I32 PolarHBondContact O-N 3.19Å; A30-I32 PolarHBondContact O-N 2.89Å; I32-E35 PolarHBondContact O-N 2.94Å; I32-Q36 PolarHBondContact O-N 3.36Å
33Q97.7Very high97.5Very high94 Ų9485.9 Ų85.944%0.43940%0.402SS..Hα-helixtrans-65.6-41178-72.9177.8-9.600111.9L29 A30 D31 E35 Q36 L37 L94L29-Q33 WeakPolarHBondContact O-CG 3.25Å; L29-Q33 PolarHBondContact O-N 2.94Å; L29-Q33 VanDerWaalsContact O-N 3.09Å; A30-Q33 PolarHBondContact O-N 3.07Å; D31-Q33 VanDerWaalsContact C-N 3.34Å; D31-Q33 PolarHBondContact O-N 2.94Å; Q33-E35 VanDerWaalsContact C-N 3.34Å; Q33-Q36 PolarHBondContact O-N 2.99Å; Q33-L37 WeakPolarHBondContact O-CB 3.38Å; Q33-L37 VanDerWaalsContact O-CG 3.31Å; Q33-L37 WeakPolarHBondContact O-CG 3.32Å; Q33-L37 PolarHBondContact O-N 3.21Å; Q33-L94 HydrophobicContact CB-CD1 3.64Å
34I98.2Very high97.5Very high19 Ų1985.4 Ų85.410%0.09740%0.399CS..Hα-helixtrans-61.6-43.7175.2-72.8166.6000110.3A30 D31 Q36 L37 N38 I91 L94 E95A30-I34 WeakPolarHBondContact O-CB 3.45Å; A30-I34 VanDerWaalsContact O-CG1 3.26Å; A30-I34 WeakPolarHBondContact O-CG1 3.31Å; A30-I34 PolarHBondContact O-N 3.44Å; D31-I34 PolarHBondContact O-N 3.41Å; I34-Q36 PolarHBondContact O-N 2.92Å; I34-L37 PolarHBondContact O-N 2.98Å; I34-N38 VanDerWaalsContact CG2-ND2 3.29Å; I34-N38 WeakPolarHBondContact CG2-ND2 3.28Å; I34-N38 WeakPolarHBondContact O-CB 3.44Å; I34-N38 PolarHBondContact O-N 2.75Å; I34-N38 PolarHBondContact O-ND2 3.13Å; I34-I91 HydrophobicContact CG2-CG2 4.3Å; I34-L94 HydrophobicContact CD1-CB 3.83Å; I34-L94 HydrophobicContact CG1-CB 3.66Å; I34-L94 HydrophobicContact CG1-CD1 3.87Å; I34-L94 HydrophobicContact CG1-CG 4.43Å; I34-E95 HydrophobicContact CD1-CG 3.88Å
35E98.1Very high97.6Very high144 Ų14484.8 Ų84.867%0.67340%0.396SS*.Hα-helixtrans-60.4-46176.9-170.6-174.916900111.7D31 I32 Q33 L37 N38 R39D31-E35 PolarHBondContact O-N 3.31Å; I32-E35 PolarHBondContact O-N 2.94Å; Q33-E35 VanDerWaalsContact C-N 3.34Å; E35-L37 PolarHBondContact O-N 3.36Å; E35-N38 PolarHBondContact O-N 2.67Å; E35-R39 PolarHBondContact O-N 2.99Å
36Q98.1Very high97.6Very high130 Ų13084 Ų8461%0.60740%0.396SS*.Hα-helixtrans-60.6-46.9177.1-175.9178.9-3.900111.8I32 Q33 I34 R39 T40I32-Q36 PolarHBondContact O-N 3.36Å; Q33-Q36 PolarHBondContact O-N 2.99Å; I34-Q36 PolarHBondContact O-N 2.92Å; Q36-R39 WeakPolarHBondContact O-CB 3.46Å; Q36-R39 PolarHBondContact O-N 3.17Å; Q36-T40 PolarHBondContact O-N 3Å; Q36-T40 PolarHBondContact O-OG1 3.29Å
37L98.3Very high97.6Very high31 Ų3181.8 Ų81.816%0.16239%0.389CS..Hα-helixtrans-64.7-40178.8-71.6166.4000111.9Q33 I34 E35 R39 T40 K41 A87 K90 I91 L94Q33-L37 WeakPolarHBondContact O-CB 3.38Å; Q33-L37 VanDerWaalsContact O-CG 3.31Å; Q33-L37 WeakPolarHBondContact O-CG 3.32Å; Q33-L37 PolarHBondContact O-N 3.21Å; I34-L37 PolarHBondContact O-N 2.98Å; E35-L37 PolarHBondContact O-N 3.36Å; L37-R39 VanDerWaalsContact C-N 3.29Å; L37-R39 PolarHBondContact O-N 3.38Å; L37-T40 PolarHBondContact O-N 3.28Å; L37-K41 WeakPolarHBondContact O-CB 3.39Å; L37-K41 PolarHBondContact O-N 3.07Å; L37-A87 HydrophobicContact CD2-CB 4.44Å; L37-K90 HydrophobicContact CD1-CB 3.61Å; L37-K90 HydrophobicContact CD2-CB 4.26Å; L37-K90 HydrophobicContact CD2-CD 4.15Å; L37-I91 HydrophobicContact CB-CD1 3.9Å; L37-I91 HydrophobicContact CB-CG1 3.62Å; L37-I91 HydrophobicContact CD1-CG1 4.07Å; L37-L94 HydrophobicContact CD1-CD1 3.67Å
38N98.1Very high97.6Very high59 Ų5981.5 Ų81.532%0.31639%0.387SS..Hα-helixtrans-59.6-41.2174.6-86.4-52.3000111.5I34 E35 K42 I91I34-N38 VanDerWaalsContact CG2-ND2 3.29Å; I34-N38 WeakPolarHBondContact CG2-ND2 3.28Å; I34-N38 WeakPolarHBondContact O-CB 3.44Å; I34-N38 PolarHBondContact O-N 2.75Å; I34-N38 PolarHBondContact O-ND2 3.13Å; E35-N38 PolarHBondContact O-N 2.67Å; N38-K42 WeakPolarHBondContact O-CB 3.47Å; N38-K42 VanDerWaalsContact O-CG 3.29Å; N38-K42 WeakPolarHBondContact O-CG 3.48Å; N38-K42 PolarHBondContact O-N 3Å; N38-I91 WeakPolarHBondContact OD1-CD1 3.47Å
39R98.1Very high97.6Very high203 Ų20378 Ų7877%0.76638%0.378SS*.Hα-helixtrans-64.8-44174.7-172.6177.2178.8-177.2-0.3111.7E35 Q36 L37 K42 H43E35-R39 PolarHBondContact O-N 2.99Å; Q36-R39 WeakPolarHBondContact O-CB 3.46Å; Q36-R39 PolarHBondContact O-N 3.17Å; L37-R39 VanDerWaalsContact C-N 3.29Å; L37-R39 PolarHBondContact O-N 3.38Å; R39-K42 PolarHBondContact O-N 3.06Å; R39-H43 WeakPolarHBondContact O-CB 3.29Å; R39-H43 PolarHBondContact O-N 2.84Å
40T96.7Very high97.6Very high51 Ų5179 Ų7931%0.31338%0.38SS..Hα-helixtrans-62.2-43.8176.8-59.40000112.1Q36 L37 H43 A44Q36-T40 PolarHBondContact O-N 3Å; Q36-T40 PolarHBondContact O-OG1 3.29Å; L37-T40 PolarHBondContact O-N 3.28Å; T40-H43 PolarHBondContact O-N 3.35Å; T40-A44 WeakPolarHBondContact O-CB 3.48Å; T40-A44 PolarHBondContact O-N 3.27Å
41K97.7Very high97.4Very high58 Ų5879.8 Ų79.825%0.25238%0.382SS..Hα-helixtrans-60.1-50.3176-177.6-178.8178.6175.60111.2L37 H43 A44 H45 Q84 A87 E88L37-K41 WeakPolarHBondContact O-CB 3.39Å; L37-K41 PolarHBondContact O-N 3.07Å; K41-H43 PolarHBondContact O-N 2.94Å; K41-A44 PolarHBondContact O-N 2.95Å; K41-H45 WeakPolarHBondContact O-CB 3.36Å; K41-H45 PolarHBondContact O-N 2.92Å; K41-Q84 HydrophobicContact CG-CB 4.43Å; K41-A87 HydrophobicContact CB-CB 3.94Å; K41-E88 HydrophobicContact CD-CB 4.4Å; K41-E88 IonicContact NZ-OE2 2.93Å; K41-E88 PolarHBondContact NZ-OE2 3.38Å
42K97.9Very high97.2Very high141 Ų14180.2 Ų80.261%0.61338%0.383SS*.Hα-helixtrans-59.2-45177.7-75.1175.3-179.2-179.70111.9N38 R39 H45 L46N38-K42 WeakPolarHBondContact O-CB 3.47Å; N38-K42 VanDerWaalsContact O-CG 3.29Å; N38-K42 WeakPolarHBondContact O-CG 3.48Å; N38-K42 PolarHBondContact O-N 3Å; R39-K42 PolarHBondContact O-N 3.06Å; K42-H45 PolarHBondContact O-N 3.41Å; K42-L46 WeakPolarHBondContact O-CB 3.22Å; K42-L46 VanDerWaalsContact O-CG 3.29Å; K42-L46 WeakPolarHBondContact O-CG 3.44Å; K42-L46 PolarHBondContact O-N 3.37Å
43H97.4Very high97.1Very high116 Ų11680.6 Ų80.654%0.53739%0.391SS..Hα-helixtrans-61-47.1176.9-176.7-56.6000111.6R39 T40 K41 H45 L46 T47R39-H43 WeakPolarHBondContact O-CB 3.29Å; R39-H43 PolarHBondContact O-N 2.84Å; T40-H43 PolarHBondContact O-N 3.35Å; K41-H43 PolarHBondContact O-N 2.94Å; H43-H45 VanDerWaalsContact C-N 3.31Å; H43-H45 PolarHBondContact O-N 2.9Å; H43-L46 PolarHBondContact O-N 2.99Å; H43-T47 PolarHBondContact CE1-OG1 2.95Å; H43-T47 PolarHBondContact ND1-OG1 3.22Å; H43-T47 PolarHBondContact O-N 3.33Å; H43-T47 PolarHBondContact O-OG1 3.43Å
44A97.3Very high97Very high0 Ų079.8 Ų79.80%039%0.389CS..Hα-helixtrans-61.3-41.4178.800000111.6T40 K41 D48 L80 K83 Q84T40-A44 WeakPolarHBondContact O-CB 3.48Å; T40-A44 PolarHBondContact O-N 3.27Å; K41-A44 PolarHBondContact O-N 2.95Å; A44-D48 VanDerWaalsContact O-CB 3.28Å; A44-D48 WeakPolarHBondContact O-CB 3.48Å; A44-D48 PolarHBondContact O-N 3.45Å; A44-L80 HydrophobicContact CB-CD2 4.28Å; A44-K83 HydrophobicContact CB-CB 4.39Å; A44-K83 HydrophobicContact CB-CD 4.03Å; A44-K83 HydrophobicContact CB-CG 4.11Å; A44-Q84 HydrophobicContact CB-CG 3.65Å
45H97.9Very high96.8Very high96 Ų9684 Ų8444%0.44442%0.415SS..Hα-helixtrans-63.8-42.7175.7-179.864.3000113.5K41 K42 H43 D48 T49 Q84K41-H45 WeakPolarHBondContact O-CB 3.36Å; K41-H45 PolarHBondContact O-N 2.92Å; K42-H45 PolarHBondContact O-N 3.41Å; H43-H45 VanDerWaalsContact C-N 3.31Å; H43-H45 PolarHBondContact O-N 2.9Å; H45-D48 PolarHBondContact O-N 3.44Å; H45-T49 WeakPolarHBondContact O-CB 3.44Å; H45-T49 PolarHBondContact O-N 3.38Å; H45-T49 PolarHBondContact O-OG1 3.44Å; H45-Q84 HydrophobicContact CB-CG 4.4Å; H45-Q84 PolarHBondContact ND1-OE1 3.32Å
46L98Very high96.4Very high102 Ų10283.2 Ų83.253%0.53442%0.416SS..Hα-helixtrans-64.1-48.2177.1-72.7170.9000111.2K42 H43 D48 T49 E50K42-L46 WeakPolarHBondContact O-CB 3.22Å; K42-L46 VanDerWaalsContact O-CG 3.29Å; K42-L46 WeakPolarHBondContact O-CG 3.44Å; K42-L46 PolarHBondContact O-N 3.37Å; H43-L46 PolarHBondContact O-N 2.99Å; L46-D48 VanDerWaalsContact C-N 3.27Å; L46-D48 PolarHBondContact O-N 3.47Å; L46-T49 PolarHBondContact O-N 3.48Å; L46-E50 WeakPolarHBondContact O-CG 3.41Å; L46-E50 PolarHBondContact O-N 2.96Å
47T96.7Very high96.1Very high39 Ų3985.9 Ų85.924%0.23943%0.428CS..Hα-helixtrans-58.2-42.5175.5-54.40000111.1H43 E50 I51 L80H43-T47 PolarHBondContact CE1-OG1 2.95Å; H43-T47 PolarHBondContact ND1-OG1 3.22Å; H43-T47 PolarHBondContact O-N 3.33Å; H43-T47 PolarHBondContact O-OG1 3.43Å; T47-E50 PolarHBondContact O-N 2.92Å; T47-I51 WeakPolarHBondContact O-CG1 3.37Å; T47-I51 WeakPolarHBondContact O-CG2 3.4Å; T47-I51 PolarHBondContact O-N 3Å; T47-L80 HydrophobicContact CG2-CD1 3.92Å; T47-L80 HydrophobicContact CG2-CD2 4.26Å
48D96.7Very high95.9Very high12 Ų1286.7 Ų86.76%0.06443%0.434CS..Hα-helixtrans-62.7-45.9178.7-168.248.7000112A44 H45 L46 E50 I51 M52 H77 L80A44-D48 VanDerWaalsContact O-CB 3.28Å; A44-D48 WeakPolarHBondContact O-CB 3.48Å; A44-D48 PolarHBondContact O-N 3.45Å; H45-D48 PolarHBondContact O-N 3.44Å; L46-D48 VanDerWaalsContact C-N 3.27Å; L46-D48 PolarHBondContact O-N 3.47Å; D48-E50 VanDerWaalsContact C-N 3.32Å; D48-E50 PolarHBondContact O-N 3.16Å; D48-I51 WeakPolarHBondContact O-CG1 3.26Å; D48-I51 PolarHBondContact O-N 3.05Å; D48-M52 WeakPolarHBondContact O-CB 3.42Å; D48-M52 WeakPolarHBondContact O-CG 3.29Å; D48-M52 PolarHBondContact O-N 3.34Å; D48-H77 VanDerWaalsContact CG-ND1 3.34Å; D48-H77 IonicContact OD1-CE1 3.57Å; D48-H77 IonicContact OD1-CG 3.68Å; D48-H77 IonicContact OD1-ND1 2.68Å; D48-H77 PolarHBondContact OD1-ND1 3.14Å; D48-H77 IonicContact OD2-CE1 3.34Å; D48-H77 PolarHBondContact OD2-CE1 2.91Å; D48-H77 IonicContact OD2-ND1 3.31Å; D48-H77 PolarHBondContact OD2-ND1 3.37Å; D48-L80 HydrophobicContact CB-CB 4.02Å; D48-L80 HydrophobicContact CB-CD1 3.93Å
49T97.1Very high95.8Very high67 Ų6789.2 Ų89.241%0.41145%0.448SS..Hα-helixtrans-59.5-44.8176.6-56.60000111H45 L46 M52 T53H45-T49 WeakPolarHBondContact O-CB 3.44Å; H45-T49 PolarHBondContact O-N 3.38Å; H45-T49 PolarHBondContact O-OG1 3.44Å; L46-T49 PolarHBondContact O-N 3.48Å; T49-M52 PolarHBondContact O-N 2.94Å; T49-T53 VanDerWaalsContact O-CG2 3.25Å; T49-T53 WeakPolarHBondContact O-CG2 3.42Å; T49-T53 PolarHBondContact O-N 3.24Å
50E96Very high95.6Very high127 Ų12780.3 Ų80.359%0.59342%0.415SS*.Hα-helixtrans-62.1-49.2178.4-73.6173.1-177.300112L46 T47 D48 M52 T53L46-E50 WeakPolarHBondContact O-CG 3.41Å; L46-E50 PolarHBondContact O-N 2.96Å; T47-E50 PolarHBondContact O-N 2.92Å; D48-E50 VanDerWaalsContact C-N 3.32Å; D48-E50 PolarHBondContact O-N 3.16Å; E50-M52 VanDerWaalsContact C-N 3.27Å; E50-M52 PolarHBondContact O-N 3.4Å; E50-T53 PolarHBondContact O-N 3.03Å; E50-T53 VanDerWaalsContact O-N 3.16Å; E50-T53 PolarHBondContact O-OG1 2.88Å
51I94Very high95.6Very high21 Ų2184.1 Ų84.111%0.10843%0.425CS..Hα-helixtrans-65.3-31.9179.764164.6000112.3T47 D48 T53 L54 M60 K73 I76 H77 L80T47-I51 WeakPolarHBondContact O-CG1 3.37Å; T47-I51 WeakPolarHBondContact O-CG2 3.4Å; T47-I51 PolarHBondContact O-N 3Å; D48-I51 WeakPolarHBondContact O-CG1 3.26Å; D48-I51 PolarHBondContact O-N 3.05Å; I51-T53 PolarHBondContact O-N 3.36Å; I51-L54 PolarHBondContact O-N 3.19Å; I51-M60 HydrophobicContact CB-CE 4.41Å; I51-K73 VanDerWaalsContact O-CE 3.26Å; I51-K73 WeakPolarHBondContact O-CE 3.26Å; I51-I76 HydrophobicContact CD1-CB 4.34Å; I51-I76 HydrophobicContact CD1-CG2 3.78Å; I51-H77 HydrophobicContact CD1-CB 4.44Å; I51-L80 HydrophobicContact CD1-CD1 3.67Å; I51-L80 HydrophobicContact CG1-CD1 4.35Å
52M94.3Very high95.4Very high71 Ų7184.1 Ų84.135%0.3543%0.426SS..Hα-helixtrans-68.3-23.3178.4-73.4-56.6104.300112.6D48 T49 E50 L54 K73 H77D48-M52 WeakPolarHBondContact O-CB 3.42Å; D48-M52 WeakPolarHBondContact O-CG 3.29Å; D48-M52 PolarHBondContact O-N 3.34Å; T49-M52 PolarHBondContact O-N 2.94Å; E50-M52 VanDerWaalsContact C-N 3.27Å; E50-M52 PolarHBondContact O-N 3.4Å; M52-L54 VanDerWaalsContact C-N 3.3Å; M52-L54 PolarHBondContact O-N 3.5Å; M52-K73 HydrophobicContact CE-CD 4.19Å; M52-K73 HydrophobicContact CE-CG 3.72Å; M52-K73 PolarHBondContact O-NZ 3.32Å; M52-H77 HydrophobicContact CE-CB 3.64Å
53T95.5Very high95.2Very high111 Ų11179.7 Ų79.768%0.68142%0.42SS*.THydrogen-bonded Turntrans-74.1-18.3175.271.10000114.2T49 E50 I51T49-T53 VanDerWaalsContact O-CG2 3.25Å; T49-T53 WeakPolarHBondContact O-CG2 3.42Å; T49-T53 PolarHBondContact O-N 3.24Å; E50-T53 PolarHBondContact O-N 3.03Å; E50-T53 VanDerWaalsContact O-N 3.16Å; E50-T53 PolarHBondContact O-OG1 2.88Å; I51-T53 PolarHBondContact O-N 3.36Å
54L95Very high95Very high78 Ų7877.6 Ų77.641%0.40842%0.415SS..SBendtrans-83150.4-178.2-60.8174.5000110.8I51 M52 T58 M60 K73I51-L54 PolarHBondContact O-N 3.19Å; M52-L54 VanDerWaalsContact C-N 3.3Å; M52-L54 PolarHBondContact O-N 3.5Å; L54-T58 HydrophobicContact CB-CG2 4.41Å; L54-T58 HydrophobicContact CD1-CG2 4.15Å; L54-M60 HydrophobicContact CB-CE 3.91Å; L54-M60 HydrophobicContact CD1-CE 3.79Å; L54-M60 HydrophobicContact CD1-SD 4.28Å; L54-M60 HydrophobicContact CG-CE 4.48Å; L54-K73 PolarHBondContact O-NZ 2.84Å
55V94.3Very high94.8Very high106 Ų10681.7 Ų81.764%0.64246%0.457SS*.  trans-64.2149175.4-61.80000110.9E57 T58V55-E57 PolarHBondContact O-N 3.32Å; V55-E57 VanDerWaalsContact O-N 3.17Å; V55-T58 WeakPolarHBondContact CG2-OG1 3.32Å; V55-T58 VanDerWaalsContact O-CB 3.23Å; V55-T58 WeakPolarHBondContact O-CB 3.33Å; V55-T58 PolarHBondContact O-N 3.38Å; V55-T58 PolarHBondContact O-OG1 2.99Å
56D90.6Very high94.7Very high129 Ų12988.8 Ų88.869%0.6948%0.48SS*.THydrogen-bonded Turntrans-63.9-24-171.7-64.1-24.9000114.3T58 K73D56-T58 PolarHBondContact O-N 3.41Å; D56-K73 WeakPolarHBondContact OD1-CD 3.49Å; D56-K73 IonicContact OD1-NZ 2.76Å; D56-K73 PolarHBondContact OD1-NZ 3.46Å
57E91.1Very high94.7Very high185 Ų18590 Ų9086%0.86448%0.484SS*.THydrogen-bonded Turntrans-75.5-5.2175.9-63.2-179.2172.200113.8V55 N59V55-E57 PolarHBondContact O-N 3.32Å; V55-E57 VanDerWaalsContact O-N 3.17Å; E57-N59 PolarHBondContact O-N 3.38Å
58T94.3Very high94.7Very high48 Ų4895.4 Ų95.429%0.29451%0.505SS..SBendtrans-67.1125.9-178.9-52.70000110.3L54 V55 D56 M60L54-T58 HydrophobicContact CB-CG2 4.41Å; L54-T58 HydrophobicContact CD1-CG2 4.15Å; V55-T58 WeakPolarHBondContact CG2-OG1 3.32Å; V55-T58 VanDerWaalsContact O-CB 3.23Å; V55-T58 WeakPolarHBondContact O-CB 3.33Å; V55-T58 PolarHBondContact O-N 3.38Å; V55-T58 PolarHBondContact O-OG1 2.99Å; D56-T58 PolarHBondContact O-N 3.41Å; T58-M60 HydrophobicContact CG2-CE 3.97Å; T58-M60 HydrophobicContact CG2-SD 4.22Å; T58-M60 WeakPolarHBondContact O-CG 3.49Å; T58-M60 PolarHBondContact O-N 2.91Å
59N94.6Very high94.7Very high113 Ų11398.3 Ų98.360%0.60452%0.52SS*.  trans-61.3122.6172.6-69.8-43.9000110.8E57 Y61 L70E57-N59 PolarHBondContact O-N 3.38Å; N59-Y61 HydrophobicContact CB-CE2 3.92Å; N59-L70 HydrophobicContact CB-CD1 4.22Å
60M94.9Very high94.7Very high15 Ų15100 Ų1007%0.07453%0.526CS..EExtended strand (participates in β ladder)trans-115143.1177.8-54.3-65.7-17600111I51 L54 T58 L70 Q71 K73 I76I51-M60 HydrophobicContact CB-CE 4.41Å; L54-M60 HydrophobicContact CB-CE 3.91Å; L54-M60 HydrophobicContact CD1-CE 3.79Å; L54-M60 HydrophobicContact CD1-SD 4.28Å; L54-M60 HydrophobicContact CG-CE 4.48Å; T58-M60 HydrophobicContact CG2-CE 3.97Å; T58-M60 HydrophobicContact CG2-SD 4.22Å; T58-M60 WeakPolarHBondContact O-CG 3.49Å; T58-M60 PolarHBondContact O-N 2.91Å; M60-L70 WeakPolarHBondContact O-CA 3.31Å; M60-Q71 PolarHBondContact O-N 3.34Å; M60-K73 HydrophobicContact CE-CB 4.39Å; M60-K73 HydrophobicContact CE-CD 4.18Å; M60-K73 HydrophobicContact CE-CG 4.16Å; M60-K73 HydrophobicContact CG-CB 4.25Å; M60-I76 HydrophobicContact CB-CD1 3.27Å; M60-I76 HydrophobicContact CG-CD1 4.25Å
61Y96.1Very high94.6Very high132 Ų13296.4 Ų96.452%0.51851%0.509SS..EExtended strand (participates in β ladder)trans-128.1123.2-179-63.7-97.7000111.2N59 F68 I69 L70N59-Y61 HydrophobicContact CB-CE2 3.92Å; Y61-F68 HydrophobicContact CD1-CB 4.4Å; Y61-I69 CarbonylContact C-O 3.52Å; Y61-I69 VanDerWaalsContact CA-O 3.28Å; Y61-I69 WeakPolarHBondContact CA-O 3.29Å; Y61-L70 HydrophobicContact CD1-CB 4.22Å; Y61-L70 HydrophobicContact CE1-CB 3.99Å; Y61-L70 HydrophobicContact CE1-CD1 4.05Å; Y61-L70 HydrophobicContact CE2-CD1 4.28Å
62E93.5Very high94.6Very high58 Ų5898.8 Ų98.827%0.27153%0.528SS..EExtended strand (participates in β ladder)trans-82.8129.8172.8-169.6-169.6-17900110F68 I69 Q71 Q79E62-F68 CarbonylContact O-C 3.59Å; E62-F68 WeakPolarHBondContact O-CA 3.48Å; E62-I69 PolarHBondContact N-O 3.48Å; E62-I69 PolarHBondContact O-N 2.89Å; E62-Q71 HydrophobicContact CB-CG 4.35Å; E62-Q71 PolarHBondContact OE2-NE2 3.02Å; E62-Q71 PolarHBondContact OE2-OE1 2.97Å; E62-Q79 VanDerWaalsContact CD-NE2 3.32Å; E62-Q79 PolarHBondContact OE1-NE2 2.71Å; E62-Q79 PolarHBondContact OE1-OE1 2.72Å; E62-Q79 PolarHBondContact OE2-NE2 2.8Å; E62-Q79 PolarHBondContact OE2-OE1 3.04Å
63G93.8Very high94.7Very high48 Ų4896.7 Ų96.750%0.49552%0.516SS..EExtended strand (participates in β ladder)trans-79.5119.6175.400000112.5M67G63-M67 CarbonylContact C-O 3.58Å; G63-M67 WeakPolarHBondContact CA-O 3.43Å
64V93.1Very high94.6Very high72 Ų7298 Ų9844%0.43652%0.515SS..EExtended strand (participates in β ladder)trans-120.897174.1-176.40000109.2R66 M67 I69V64-R66 PolarHBondContact O-N 3.4Å; V64-R66 VanDerWaalsContact O-N 3.11Å; V64-M67 PolarHBondContact N-O 3.31Å; V64-M67 WeakPolarHBondContact O-CB 3.44Å; V64-M67 PolarHBondContact O-N 2.96Å; V64-I69 HydrophobicContact CB-CD1 4.35Å; V64-I69 HydrophobicContact CG2-CD1 3.89Å; V64-I69 HydrophobicContact CG2-CG1 4.48Å
65G94.2Very high94.6Very high85 Ų8596 Ų9688%0.87651%0.509SS*.THydrogen-bonded Turntrans63.9-110.3-174.200000111.6
66R96.1Very high94.6Very high246 Ų24691.8 Ų91.893%0.92848%0.483SS*.THydrogen-bonded Turntrans-100.1-1.1174.3-63.8-174.6-66.3-179.8-0.5113.3V64V64-R66 PolarHBondContact O-N 3.4Å; V64-R66 VanDerWaalsContact O-N 3.11Å
67M97Very high94.9Very high127 Ų12788 Ų8863%0.62646%0.461SS*.EExtended strand (participates in β ladder)trans-99.4155.9-178.1-63.5174.259.400110.6G63 V64G63-M67 CarbonylContact C-O 3.58Å; G63-M67 WeakPolarHBondContact CA-O 3.43Å; V64-M67 PolarHBondContact N-O 3.31Å; V64-M67 WeakPolarHBondContact O-CB 3.44Å; V64-M67 PolarHBondContact O-N 2.96Å
68F96.9Very high95.2Very high153 Ų15383 Ų8367%0.67144%0.441SS*.EExtended strand (participates in β ladder)trans-126.1119.7173.3-72.9-81.6000108.3Y61 E62Y61-F68 HydrophobicContact CD1-CB 4.4Å; E62-F68 CarbonylContact O-C 3.59Å; E62-F68 WeakPolarHBondContact O-CA 3.48Å
69I96.4Very high95.2Very high73 Ų7384.3 Ų84.337%0.37444%0.443SS..EExtended strand (participates in β ladder)trans-107.8127.4-174.6-59.7177.4000108.6Y61 E62 V64 Q71Y61-I69 CarbonylContact C-O 3.52Å; Y61-I69 VanDerWaalsContact CA-O 3.28Å; Y61-I69 WeakPolarHBondContact CA-O 3.29Å; E62-I69 PolarHBondContact N-O 3.48Å; E62-I69 PolarHBondContact O-N 2.89Å; V64-I69 HydrophobicContact CB-CD1 4.35Å; V64-I69 HydrophobicContact CG2-CD1 3.89Å; V64-I69 HydrophobicContact CG2-CG1 4.48Å; I69-Q71 PolarHBondContact O-N 2.98Å
70L96.8Very high95.3Very high103 Ų10379.8 Ų79.854%0.53942%0.419SS..EExtended strand (participates in β ladder)trans-60.7126.9175-178.270.7000109.8N59 M60 Y61N59-L70 HydrophobicContact CB-CD1 4.22Å; M60-L70 WeakPolarHBondContact O-CA 3.31Å; Y61-L70 HydrophobicContact CD1-CB 4.22Å; Y61-L70 HydrophobicContact CE1-CB 3.99Å; Y61-L70 HydrophobicContact CE1-CD1 4.05Å; Y61-L70 HydrophobicContact CE2-CD1 4.28Å
71Q94.9Very high95.5Very high51 Ų5182.5 Ų82.524%0.23843%0.433CS..EExtended strand (participates in β ladder)trans-139.3160.7176.8-73.5-167.6-5.300111.4M60 E62 I69 I76M60-Q71 PolarHBondContact O-N 3.34Å; E62-Q71 HydrophobicContact CB-CG 4.35Å; E62-Q71 PolarHBondContact OE2-NE2 3.02Å; E62-Q71 PolarHBondContact OE2-OE1 2.97Å; I69-Q71 PolarHBondContact O-N 2.98Å; Q71-I76 HydrophobicContact CB-CD1 4Å; Q71-I76 HydrophobicContact CB-CG1 3.93Å
72S94.3Very high95.5Very high71 Ų7180.4 Ų80.450%0.49743%0.428SS..  trans-69.9149.5172.163.80000110.7E74 A75 I76S72-E74 PolarHBondContact O-N 3.47Å; S72-A75 PolarHBondContact O-N 3.05Å; S72-A75 VanDerWaalsContact O-N 3.14Å; S72-A75 WeakPolarHBondContact OG-CB 3.32Å; S72-A75 PolarHBondContact OG-N 3.37Å; S72-I76 PolarHBondContact O-N 3.09Å
73K94.4Very high95.7Very high26 Ų2682.4 Ų82.411%0.11344%0.436CS..Hα-helixtrans-53.6-41.6173.3179.8179.1171.7-172.30111.9I51 M52 L54 D56 M60 I76 H77I51-K73 VanDerWaalsContact O-CE 3.26Å; I51-K73 WeakPolarHBondContact O-CE 3.26Å; M52-K73 HydrophobicContact CE-CD 4.19Å; M52-K73 HydrophobicContact CE-CG 3.72Å; M52-K73 PolarHBondContact O-NZ 3.32Å; L54-K73 PolarHBondContact O-NZ 2.84Å; D56-K73 WeakPolarHBondContact OD1-CD 3.49Å; D56-K73 IonicContact OD1-NZ 2.76Å; D56-K73 PolarHBondContact OD1-NZ 3.46Å; M60-K73 HydrophobicContact CE-CB 4.39Å; M60-K73 HydrophobicContact CE-CD 4.18Å; M60-K73 HydrophobicContact CE-CG 4.16Å; M60-K73 HydrophobicContact CG-CB 4.25Å; K73-I76 PolarHBondContact O-N 2.88Å; K73-H77 WeakPolarHBondContact O-CB 3.48Å; K73-H77 PolarHBondContact O-N 3.49Å
74E94.2Very high95.9Very high139 Ų13981.2 Ų81.265%0.6542%0.418SS*.Hα-helixtrans-63.3-41.1177.6-173.6-177.6-177.900112.9S72 H77 N78S72-E74 PolarHBondContact O-N 3.47Å; E74-H77 PolarHBondContact O-N 3.23Å; E74-N78 WeakPolarHBondContact O-CB 3.13Å; E74-N78 PolarHBondContact O-N 3.48Å; E74-N78 PolarHBondContact O-ND2 2.99Å; E74-N78 VanDerWaalsContact O-ND2 3.15Å
75A94.7Very high96.1Very high35 Ų3582.8 Ų82.829%0.28942%0.419SS..Hα-helixtrans-63.1-46.7178.100000111.1S72 N78 Q79S72-A75 PolarHBondContact O-N 3.05Å; S72-A75 VanDerWaalsContact O-N 3.14Å; S72-A75 WeakPolarHBondContact OG-CB 3.32Å; S72-A75 PolarHBondContact OG-N 3.37Å; A75-N78 PolarHBondContact O-N 3.23Å; A75-Q79 VanDerWaalsContact O-CG 3.31Å; A75-Q79 WeakPolarHBondContact O-CG 3.46Å; A75-Q79 PolarHBondContact O-N 2.97Å
76I95.6Very high96.3Very high18 Ų1881.9 Ų81.99%0.09239%0.393CS..Hα-helixtrans-65.8-40.8179-63.9168.2000110.9I51 M60 Q71 S72 K73 N78 Q79 L80I51-I76 HydrophobicContact CD1-CB 4.34Å; I51-I76 HydrophobicContact CD1-CG2 3.78Å; M60-I76 HydrophobicContact CB-CD1 3.27Å; M60-I76 HydrophobicContact CG-CD1 4.25Å; Q71-I76 HydrophobicContact CB-CD1 4Å; Q71-I76 HydrophobicContact CB-CG1 3.93Å; S72-I76 PolarHBondContact O-N 3.09Å; K73-I76 PolarHBondContact O-N 2.88Å; I76-N78 PolarHBondContact O-N 3.38Å; I76-Q79 PolarHBondContact O-N 3.15Å; I76-L80 HydrophobicContact CG2-CD1 3.89Å; I76-L80 HydrophobicContact CG2-CG 4.34Å; I76-L80 WeakPolarHBondContact O-CB 3.33Å; I76-L80 VanDerWaalsContact O-CG 3.31Å; I76-L80 WeakPolarHBondContact O-CG 3.31Å; I76-L80 PolarHBondContact O-N 2.76Å
77H95.7Very high96.4Very high49 Ų4970.4 Ų70.423%0.22735%0.35CS..Hα-helixtrans-55.6-52.5174179.455.6000111.6D48 I51 M52 K73 E74 Q79 L80 L81D48-H77 VanDerWaalsContact CG-ND1 3.34Å; D48-H77 IonicContact OD1-CE1 3.57Å; D48-H77 IonicContact OD1-CG 3.68Å; D48-H77 IonicContact OD1-ND1 2.68Å; D48-H77 PolarHBondContact OD1-ND1 3.14Å; D48-H77 IonicContact OD2-CE1 3.34Å; D48-H77 PolarHBondContact OD2-CE1 2.91Å; D48-H77 IonicContact OD2-ND1 3.31Å; D48-H77 PolarHBondContact OD2-ND1 3.37Å; I51-H77 HydrophobicContact CD1-CB 4.44Å; M52-H77 HydrophobicContact CE-CB 3.64Å; K73-H77 WeakPolarHBondContact O-CB 3.48Å; K73-H77 PolarHBondContact O-N 3.49Å; E74-H77 PolarHBondContact O-N 3.23Å; H77-Q79 VanDerWaalsContact C-N 3.32Å; H77-Q79 PolarHBondContact O-N 3.37Å; H77-L80 PolarHBondContact O-N 2.9Å; H77-L80 VanDerWaalsContact O-N 3.12Å; H77-L81 WeakPolarHBondContact NE2-CD1 3.49Å; H77-L81 WeakPolarHBondContact O-CG 3.37Å; H77-L81 PolarHBondContact O-N 3.37Å
78N96.7Very high96.4Very high82 Ų8267.7 Ų67.744%0.43934%0.336SS..Hα-helixtrans-61.3-39.7179.6-73.3-34.5000112.3E74 A75 I76 L81 E82E74-N78 WeakPolarHBondContact O-CB 3.13Å; E74-N78 PolarHBondContact O-N 3.48Å; E74-N78 PolarHBondContact O-ND2 2.99Å; E74-N78 VanDerWaalsContact O-ND2 3.15Å; A75-N78 PolarHBondContact O-N 3.23Å; I76-N78 PolarHBondContact O-N 3.38Å; N78-L81 PolarHBondContact O-N 3.03Å; N78-E82 WeakPolarHBondContact O-CB 3.42Å; N78-E82 PolarHBondContact O-N 3.14Å
79Q96.1Very high96.5Very high75 Ų7564.7 Ų64.735%0.3532%0.324SS..Hα-helixtrans-62.9-41.8174.2-72.4173.7-18.800112.3E62 A75 I76 H77 E82 K83E62-Q79 VanDerWaalsContact CD-NE2 3.32Å; E62-Q79 PolarHBondContact OE1-NE2 2.71Å; E62-Q79 PolarHBondContact OE1-OE1 2.72Å; E62-Q79 PolarHBondContact OE2-NE2 2.8Å; E62-Q79 PolarHBondContact OE2-OE1 3.04Å; A75-Q79 VanDerWaalsContact O-CG 3.31Å; A75-Q79 WeakPolarHBondContact O-CG 3.46Å; A75-Q79 PolarHBondContact O-N 2.97Å; I76-Q79 PolarHBondContact O-N 3.15Å; H77-Q79 VanDerWaalsContact C-N 3.32Å; H77-Q79 PolarHBondContact O-N 3.37Å; Q79-E82 PolarHBondContact O-N 3.19Å; Q79-K83 WeakPolarHBondContact O-CB 3.32Å; Q79-K83 PolarHBondContact O-N 3.46Å
80L96.5Very high96.5Very high18 Ų1866.2 Ų66.29%0.09433%0.328CS..Hα-helixtrans-68.3-39.4178.1-71.4169.4000111.8A44 T47 D48 I51 I76 H77 K83 Q84A44-L80 HydrophobicContact CB-CD2 4.28Å; T47-L80 HydrophobicContact CG2-CD1 3.92Å; T47-L80 HydrophobicContact CG2-CD2 4.26Å; D48-L80 HydrophobicContact CB-CB 4.02Å; D48-L80 HydrophobicContact CB-CD1 3.93Å; I51-L80 HydrophobicContact CD1-CD1 3.67Å; I51-L80 HydrophobicContact CG1-CD1 4.35Å; I76-L80 HydrophobicContact CG2-CD1 3.89Å; I76-L80 HydrophobicContact CG2-CG 4.34Å; I76-L80 WeakPolarHBondContact O-CB 3.33Å; I76-L80 VanDerWaalsContact O-CG 3.31Å; I76-L80 WeakPolarHBondContact O-CG 3.31Å; I76-L80 PolarHBondContact O-N 2.76Å; H77-L80 PolarHBondContact O-N 2.9Å; H77-L80 VanDerWaalsContact O-N 3.12Å; L80-K83 PolarHBondContact O-N 2.67Å; L80-Q84 VanDerWaalsContact O-CG 3.27Å; L80-Q84 WeakPolarHBondContact O-CG 3.41Å; L80-Q84 PolarHBondContact O-N 3.5Å; L80-Q84 PolarHBondContact O-NE2 3.39Å
81L97.4Very high96.6Very high71 Ų7161.9 Ų61.937%0.37231%0.306SS..Hα-helixtrans-62-46172.9-70.6-173.9000111.6H77 N78 K83 Q84 K85H77-L81 WeakPolarHBondContact NE2-CD1 3.49Å; H77-L81 WeakPolarHBondContact O-CG 3.37Å; H77-L81 PolarHBondContact O-N 3.37Å; N78-L81 PolarHBondContact O-N 3.03Å; L81-K83 VanDerWaalsContact C-N 3.32Å; L81-K83 PolarHBondContact O-N 3.17Å; L81-Q84 WeakPolarHBondContact O-CB 3.11Å; L81-Q84 PolarHBondContact O-N 3.19Å; L81-K85 PolarHBondContact O-N 3.34Å
82E97.8Very high96.8Very high88 Ų8864.3 Ų64.341%0.41132%0.315SS..Hα-helixtrans-63.5-40.3177.7-174.358.7-160.300111.2N78 Q79 Q84 K85 I86N78-E82 WeakPolarHBondContact O-CB 3.42Å; N78-E82 PolarHBondContact O-N 3.14Å; Q79-E82 PolarHBondContact O-N 3.19Å; E82-Q84 VanDerWaalsContact C-N 3.33Å; E82-Q84 PolarHBondContact O-N 2.98Å; E82-K85 PolarHBondContact O-N 3.41Å; E82-I86 HydrophobicContact CG-CD1 3.91Å; E82-I86 HydrophobicContact CG-CG1 4.41Å; E82-I86 VanDerWaalsContact O-CG1 3.31Å; E82-I86 WeakPolarHBondContact O-CG1 3.41Å; E82-I86 PolarHBondContact O-N 3.31Å
83K96.7Very high96.9Very high101 Ų10166.9 Ų66.944%0.43932%0.32SS..Hα-helixtrans-61-39.7174.3-175.2174.3-180177.80112.5A44 Q79 L80 L81 A87A44-K83 HydrophobicContact CB-CB 4.39Å; A44-K83 HydrophobicContact CB-CD 4.03Å; A44-K83 HydrophobicContact CB-CG 4.11Å; Q79-K83 WeakPolarHBondContact O-CB 3.32Å; Q79-K83 PolarHBondContact O-N 3.46Å; L80-K83 PolarHBondContact O-N 2.67Å; L81-K83 VanDerWaalsContact C-N 3.32Å; L81-K83 PolarHBondContact O-N 3.17Å; K83-A87 WeakPolarHBondContact O-CB 3.48Å; K83-A87 PolarHBondContact O-N 2.84Å
84Q97.8Very high97.1Very high23 Ų2366.7 Ų66.711%0.10732%0.319CS..Hα-helixtrans-64.8-44.6174.7-71.317164.100111.3K41 A44 H45 L80 L81 E82 A87 E88K41-Q84 HydrophobicContact CG-CB 4.43Å; A44-Q84 HydrophobicContact CB-CG 3.65Å; H45-Q84 HydrophobicContact CB-CG 4.4Å; H45-Q84 PolarHBondContact ND1-OE1 3.32Å; L80-Q84 VanDerWaalsContact O-CG 3.27Å; L80-Q84 WeakPolarHBondContact O-CG 3.41Å; L80-Q84 PolarHBondContact O-N 3.5Å; L80-Q84 PolarHBondContact O-NE2 3.39Å; L81-Q84 WeakPolarHBondContact O-CB 3.11Å; L81-Q84 PolarHBondContact O-N 3.19Å; E82-Q84 VanDerWaalsContact C-N 3.33Å; E82-Q84 PolarHBondContact O-N 2.98Å; Q84-A87 PolarHBondContact O-N 2.98Å; Q84-E88 PolarHBondContact O-N 3.41Å
85K98.1Very high97.2Very high105 Ų10565 Ų6546%0.45731%0.311SS..Hα-helixtrans-62.6-49.9179.4-178.5-175.1167.5-161.60112.1L81 E82 A87 E88 E89L81-K85 PolarHBondContact O-N 3.34Å; E82-K85 PolarHBondContact O-N 3.41Å; K85-A87 VanDerWaalsContact C-N 3.26Å; K85-A87 PolarHBondContact O-N 3.05Å; K85-E88 WeakPolarHBondContact O-CB 3.18Å; K85-E88 PolarHBondContact O-N 3.36Å; K85-E88 VanDerWaalsContact O-N 3.07Å; K85-E89 WeakPolarHBondContact CE-OE1 3.5Å; K85-E89 WeakPolarHBondContact O-CG 3.43Å; K85-E89 PolarHBondContact O-N 3.1Å
86I98Very high97.4Very high66 Ų6669.8 Ų69.834%0.33833%0.328SS..Hα-helixtrans-57.9-41.3177.3-68.1167.2000110.9E82 K90E82-I86 HydrophobicContact CG-CD1 3.91Å; E82-I86 HydrophobicContact CG-CG1 4.41Å; E82-I86 VanDerWaalsContact O-CG1 3.31Å; E82-I86 WeakPolarHBondContact O-CG1 3.41Å; E82-I86 PolarHBondContact O-N 3.31Å; I86-K90 HydrophobicContact CG2-CD 4.25Å; I86-K90 WeakPolarHBondContact O-CG 3.45Å; I86-K90 PolarHBondContact O-N 3.06Å; I86-K90 VanDerWaalsContact O-N 3.13Å
87A97.9Very high97.4Very high4 Ų474.6 Ų74.63%0.03335%0.348CS..Hα-helixtrans-65.1-41.4177.200000111.8L37 K41 K83 Q84 K85 I91L37-A87 HydrophobicContact CD2-CB 4.44Å; K41-A87 HydrophobicContact CB-CB 3.94Å; K83-A87 WeakPolarHBondContact O-CB 3.48Å; K83-A87 PolarHBondContact O-N 2.84Å; Q84-A87 PolarHBondContact O-N 2.98Å; K85-A87 VanDerWaalsContact C-N 3.26Å; K85-A87 PolarHBondContact O-N 3.05Å; A87-I91 WeakPolarHBondContact O-CD1 3.16Å; A87-I91 VanDerWaalsContact O-CG1 3.22Å; A87-I91 WeakPolarHBondContact O-CG1 3.34Å; A87-I91 PolarHBondContact O-N 3.43Å
88E97.8Very high97.4Very high71 Ų7174.8 Ų74.833%0.33235%0.348SS..Hα-helixtrans-65.4-43.1176.9-175.4174.5152.700113.1K41 Q84 K85 I91 K92K41-E88 HydrophobicContact CD-CB 4.4Å; K41-E88 IonicContact NZ-OE2 2.93Å; K41-E88 PolarHBondContact NZ-OE2 3.38Å; Q84-E88 PolarHBondContact O-N 3.41Å; K85-E88 WeakPolarHBondContact O-CB 3.18Å; K85-E88 PolarHBondContact O-N 3.36Å; K85-E88 VanDerWaalsContact O-N 3.07Å; E88-I91 PolarHBondContact O-N 3.08Å; E88-K92 WeakPolarHBondContact O-CG 3.5Å; E88-K92 PolarHBondContact O-N 3.29Å; E88-K92 WeakPolarHBondContact OE1-CE 3.39Å; E88-K92 IonicContact OE1-NZ 2.75Å; E88-K92 PolarHBondContact OE1-NZ 3.49Å
89E98.2Very high97.4Very high90 Ų9073.4 Ų73.442%0.42135%0.345SS..Hα-helixtrans-60.1-47176.6-72.6175175.300111.1K85 I91 K92 E93K85-E89 WeakPolarHBondContact CE-OE1 3.5Å; K85-E89 WeakPolarHBondContact O-CG 3.43Å; K85-E89 PolarHBondContact O-N 3.1Å; E89-I91 VanDerWaalsContact C-N 3.32Å; E89-I91 PolarHBondContact O-N 2.85Å; E89-K92 WeakPolarHBondContact O-CB 3.25Å; E89-K92 PolarHBondContact O-N 3.19Å; E89-K92 VanDerWaalsContact O-N 3.17Å; E89-E93 WeakPolarHBondContact O-CG 3.46Å; E89-E93 PolarHBondContact O-N 2.93Å
90K97.9Very high97.5Very high105 Ų10576.3 Ų76.346%0.45735%0.354SS..Hα-helixtrans-63.2-35.5176.8-72.4179.9178.8-178.20113.3L37 I86 E93 L94L37-K90 HydrophobicContact CD1-CB 3.61Å; L37-K90 HydrophobicContact CD2-CB 4.26Å; L37-K90 HydrophobicContact CD2-CD 4.15Å; I86-K90 HydrophobicContact CG2-CD 4.25Å; I86-K90 WeakPolarHBondContact O-CG 3.45Å; I86-K90 PolarHBondContact O-N 3.06Å; I86-K90 VanDerWaalsContact O-N 3.13Å; K90-E93 PolarHBondContact O-N 3.33Å; K90-L94 WeakPolarHBondContact O-CG 3.48Å; K90-L94 PolarHBondContact O-N 3.37Å
91I98.1Very high97.5Very high12 Ų1276.5 Ų76.56%0.06236%0.355CS..Hα-helixtrans-62.1-48.4173.9-71.5161.3000109.8I34 L37 N38 A87 E88 E89 E93 L94 E95I34-I91 HydrophobicContact CG2-CG2 4.3Å; L37-I91 HydrophobicContact CB-CD1 3.9Å; L37-I91 HydrophobicContact CB-CG1 3.62Å; L37-I91 HydrophobicContact CD1-CG1 4.07Å; N38-I91 WeakPolarHBondContact OD1-CD1 3.47Å; A87-I91 WeakPolarHBondContact O-CD1 3.16Å; A87-I91 VanDerWaalsContact O-CG1 3.22Å; A87-I91 WeakPolarHBondContact O-CG1 3.34Å; A87-I91 PolarHBondContact O-N 3.43Å; E88-I91 PolarHBondContact O-N 3.08Å; E89-I91 VanDerWaalsContact C-N 3.32Å; E89-I91 PolarHBondContact O-N 2.85Å; I91-E93 VanDerWaalsContact C-N 3.32Å; I91-E93 PolarHBondContact O-N 3.49Å; I91-L94 PolarHBondContact O-N 3Å; I91-L94 VanDerWaalsContact O-N 3.16Å; I91-E95 HydrophobicContact CG2-CG 4.31Å; I91-E95 WeakPolarHBondContact O-CG 3.4Å; I91-E95 PolarHBondContact O-N 3.38Å
92K98.1Very high97.4Very high101 Ų10177.6 Ų77.644%0.43936%0.358SS..Hα-helixtrans-58.8-43178.3-70.4173.1-175.31650111.8E88 E89 E95 Q96E88-K92 WeakPolarHBondContact O-CG 3.5Å; E88-K92 PolarHBondContact O-N 3.29Å; E88-K92 WeakPolarHBondContact OE1-CE 3.39Å; E88-K92 IonicContact OE1-NZ 2.75Å; E88-K92 PolarHBondContact OE1-NZ 3.49Å; E89-K92 WeakPolarHBondContact O-CB 3.25Å; E89-K92 PolarHBondContact O-N 3.19Å; E89-K92 VanDerWaalsContact O-N 3.17Å; K92-E95 PolarHBondContact O-N 2.9Å; K92-Q96 WeakPolarHBondContact O-CB 3.5Å; K92-Q96 VanDerWaalsContact O-CG 3.26Å; K92-Q96 WeakPolarHBondContact O-CG 3.49Å; K92-Q96 PolarHBondContact O-N 3.17Å
93E97.9Very high97.3Very high126 Ų12680 Ų8059%0.58936%0.363SS*.Hα-helixtrans-60.7-44175.8-71.5177.817700112.4E89 K90 I91 Q96 K97E89-E93 WeakPolarHBondContact O-CG 3.46Å; E89-E93 PolarHBondContact O-N 2.93Å; K90-E93 PolarHBondContact O-N 3.33Å; I91-E93 VanDerWaalsContact C-N 3.32Å; I91-E93 PolarHBondContact O-N 3.49Å; E93-Q96 PolarHBondContact O-N 2.91Å; E93-K97 WeakPolarHBondContact O-CB 3.46Å; E93-K97 PolarHBondContact O-N 3.45Å
94L97.9Very high97.2Very high21 Ų2176.1 Ų76.111%0.1135%0.349CS..Hα-helixtrans-67.6-40.1178.7-72.5169.8000112.4A30 Q33 I34 L37 K90 I91 K97 K98A30-L94 HydrophobicContact CB-CD2 4.28Å; Q33-L94 HydrophobicContact CB-CD1 3.64Å; I34-L94 HydrophobicContact CD1-CB 3.83Å; I34-L94 HydrophobicContact CG1-CB 3.66Å; I34-L94 HydrophobicContact CG1-CD1 3.87Å; I34-L94 HydrophobicContact CG1-CG 4.43Å; L37-L94 HydrophobicContact CD1-CD1 3.67Å; K90-L94 WeakPolarHBondContact O-CG 3.48Å; K90-L94 PolarHBondContact O-N 3.37Å; I91-L94 PolarHBondContact O-N 3Å; I91-L94 VanDerWaalsContact O-N 3.16Å; L94-K97 PolarHBondContact O-N 3.37Å; L94-K98 WeakPolarHBondContact O-CB 3.29Å; L94-K98 PolarHBondContact O-N 2.83Å
95E97.4Very high97.1Very high103 Ų10375.8 Ų75.848%0.48135%0.348SS..Hα-helixtrans-63.5-43.9175-72.9176.8167.100111.6I34 I91 K92 K97 K98 S99I34-E95 HydrophobicContact CD1-CG 3.88Å; I91-E95 HydrophobicContact CG2-CG 4.31Å; I91-E95 WeakPolarHBondContact O-CG 3.4Å; I91-E95 PolarHBondContact O-N 3.38Å; K92-E95 PolarHBondContact O-N 2.9Å; E95-K97 VanDerWaalsContact C-N 3.35Å; E95-K97 PolarHBondContact O-N 3.08Å; E95-K98 PolarHBondContact O-N 3.07Å; E95-S99 PolarHBondContact O-N 3.39Å
96Q97.7Very high97.1Very high136 Ų13677 Ų7764%0.63635%0.353SS*.Hα-helixtrans-61-43.8174.3-74.5175.8700111.6K92 E93 S99 Y100K92-Q96 WeakPolarHBondContact O-CB 3.5Å; K92-Q96 VanDerWaalsContact O-CG 3.26Å; K92-Q96 WeakPolarHBondContact O-CG 3.49Å; K92-Q96 PolarHBondContact O-N 3.17Å; E93-Q96 PolarHBondContact O-N 2.91Å; Q96-S99 PolarHBondContact O-N 3.06Å; Q96-Y100 WeakPolarHBondContact O-CB 3.47Å; Q96-Y100 PolarHBondContact O-N 2.87Å
97K96.1Very high96.9Very high119 Ų11979.1 Ų79.152%0.51736%0.362SS..Hα-helixtrans-62.1-42.7176.8-175177.8-178.9178.30111.8E93 L94 E95 Y100 L101E93-K97 WeakPolarHBondContact O-CB 3.46Å; E93-K97 PolarHBondContact O-N 3.45Å; L94-K97 PolarHBondContact O-N 3.37Å; E95-K97 VanDerWaalsContact C-N 3.35Å; E95-K97 PolarHBondContact O-N 3.08Å; K97-Y100 PolarHBondContact O-N 3.11Å; K97-L101 HydrophobicContact CG-CD1 4.34Å; K97-L101 VanDerWaalsContact O-CG 3.32Å; K97-L101 WeakPolarHBondContact O-CG 3.2Å; K97-L101 PolarHBondContact O-N 3.41Å
98K96.4Very high96.7Very high54 Ų5479.8 Ų79.824%0.23537%0.368CS..Hα-helixtrans-59.6-52.1175.2175172.9176.61710111.1V27 D31 L94 E95 Y100 L101 E102V27-K98 HydrophobicContact CG1-CD 3.94Å; V27-K98 HydrophobicContact CG1-CG 4.02Å; V27-K98 HydrophobicContact CG2-CG 4.16Å; D31-K98 IonicContact OD1-NZ 3.37Å; D31-K98 PolarHBondContact OD1-NZ 2.9Å; D31-K98 IonicContact OD2-NZ 2.67Å; D31-K98 PolarHBondContact OD2-NZ 2.65Å; L94-K98 WeakPolarHBondContact O-CB 3.29Å; L94-K98 PolarHBondContact O-N 2.83Å; E95-K98 PolarHBondContact O-N 3.07Å; K98-Y100 VanDerWaalsContact C-N 3.29Å; K98-Y100 PolarHBondContact O-N 2.93Å; K98-L101 PolarHBondContact O-N 3.34Å; K98-L101 VanDerWaalsContact O-N 3.15Å; K98-E102 WeakPolarHBondContact CE-OE1 3.27Å; K98-E102 WeakPolarHBondContact CG-OE1 3.4Å; K98-E102 WeakPolarHBondContact O-CG 3.46Å; K98-E102 PolarHBondContact O-N 3.19Å
99S96.4Very high96.6Very high52 Ų5279.5 Ų79.536%0.36437%0.366SS..Hα-helixtrans-59.4-38.4177.8178.30000112.6E95 Q96 R103E95-S99 PolarHBondContact O-N 3.39Å; Q96-S99 PolarHBondContact O-N 3.06Å; S99-R103 WeakPolarHBondContact O-CB 3.43Å; S99-R103 VanDerWaalsContact O-CG 3.31Å; S99-R103 WeakPolarHBondContact O-CG 3.47Å; S99-R103 PolarHBondContact O-N 2.78Å; S99-R103 PolarHBondContact O-NE 2.94Å
100Y97.3Very high96.4Very high137 Ų13777.8 Ų77.854%0.53736%0.36SS..Hα-helixtrans-63.2-46.9174.8173.7-99.8000112.3Q96 K97 K98 R103 S104Q96-Y100 WeakPolarHBondContact O-CB 3.47Å; Q96-Y100 PolarHBondContact O-N 2.87Å; K97-Y100 PolarHBondContact O-N 3.11Å; K98-Y100 VanDerWaalsContact C-N 3.29Å; K98-Y100 PolarHBondContact O-N 2.93Å; Y100-R103 PolarHBondContact O-N 3.18Å; Y100-S104 WeakPolarHBondContact O-CB 3.36Å; Y100-S104 PolarHBondContact O-N 3.12Å
101L96.1Very high96.1Very high22 Ų2277.3 Ų77.312%0.11536%0.363CS..Hα-helixtrans-63.2-43.9179.6-69.6169.6000111.8T23 K26 K97 K98 S104 V105T23-L101 HydrophobicContact CG2-CB 3.79Å; K26-L101 HydrophobicContact CB-CD1 3.63Å; K26-L101 HydrophobicContact CD-CD1 4.21Å; K26-L101 HydrophobicContact CD-CD2 4.31Å; K97-L101 HydrophobicContact CG-CD1 4.34Å; K97-L101 VanDerWaalsContact O-CG 3.32Å; K97-L101 WeakPolarHBondContact O-CG 3.2Å; K97-L101 PolarHBondContact O-N 3.41Å; K98-L101 PolarHBondContact O-N 3.34Å; K98-L101 VanDerWaalsContact O-N 3.15Å; L101-S104 WeakPolarHBondContact O-CB 3.42Å; L101-S104 PolarHBondContact O-N 3.14Å; L101-V105 PolarHBondContact O-N 3.27Å
102E95Very high95.8Very high93 Ų9377.3 Ų77.344%0.43536%0.363SS..Hα-helixtrans-61.7-44.3176.9-70.7170.6172.700111.9V27 K98 S104 V105 K106V27-E102 HydrophobicContact CG2-CG 4.41Å; K98-E102 WeakPolarHBondContact CE-OE1 3.27Å; K98-E102 WeakPolarHBondContact CG-OE1 3.4Å; K98-E102 WeakPolarHBondContact O-CG 3.46Å; K98-E102 PolarHBondContact O-N 3.19Å; E102-S104 VanDerWaalsContact C-N 3.34Å; E102-S104 PolarHBondContact O-N 3.34Å; E102-V105 PolarHBondContact O-N 3.28Å; E102-K106 PolarHBondContact O-N 3.3Å
103R96.9Very high95.5Very high139 Ų13978 Ų7853%0.52536%0.362SS..Hα-helixtrans-60.4-43.6173.1-77-174.5-68.1161.6-1.5112S99 Y100 V105 K106 E107S99-R103 WeakPolarHBondContact O-CB 3.43Å; S99-R103 VanDerWaalsContact O-CG 3.31Å; S99-R103 WeakPolarHBondContact O-CG 3.47Å; S99-R103 PolarHBondContact O-N 2.78Å; S99-R103 PolarHBondContact O-NE 2.94Å; Y100-R103 PolarHBondContact O-N 3.18Å; R103-V105 VanDerWaalsContact C-N 3.31Å; R103-V105 PolarHBondContact O-N 3.43Å; R103-K106 WeakPolarHBondContact O-CB 3.4Å; R103-K106 PolarHBondContact O-N 2.88Å; R103-K106 VanDerWaalsContact O-N 3.14Å; R103-E107 WeakPolarHBondContact O-CG 3.39Å; R103-E107 PolarHBondContact O-N 3.39Å
104S95.1Very high95.1Very high19 Ų1978 Ų7813%0.13336%0.362CS..Hα-helixtrans-63.3-36.2-179.3-159.60000112.6K19 Y100 L101 E102 A108K19-S104 WeakPolarHBondContact CE-O 3.4Å; K19-S104 WeakPolarHBondContact CE-OG 3.45Å; K19-S104 PolarHBondContact NZ-O 3.16Å; K19-S104 PolarHBondContact NZ-OG 2.96Å; Y100-S104 WeakPolarHBondContact O-CB 3.36Å; Y100-S104 PolarHBondContact O-N 3.12Å; L101-S104 WeakPolarHBondContact O-CB 3.42Å; L101-S104 PolarHBondContact O-N 3.14Å; E102-S104 VanDerWaalsContact C-N 3.34Å; E102-S104 PolarHBondContact O-N 3.34Å; S104-A108 PolarHBondContact O-N 3.43Å
105V95.8Very high94.6Very high17 Ų1781.2 Ų81.210%0.10338%0.378CS..Hα-helixtrans-66.4-47.9172.11700000110.5K19 V20 T23 L101 E102 R103 E107 A108 E109K19-V105 HydrophobicContact CG-CG2 4.29Å; V20-V105 HydrophobicContact CG2-CG1 3.66Å; T23-V105 HydrophobicContact CG2-CG2 3.61Å; T23-V105 WeakPolarHBondContact OG1-CG2 3.43Å; L101-V105 PolarHBondContact O-N 3.27Å; E102-V105 PolarHBondContact O-N 3.28Å; R103-V105 VanDerWaalsContact C-N 3.31Å; R103-V105 PolarHBondContact O-N 3.43Å; V105-E107 VanDerWaalsContact C-N 3.34Å; V105-E107 PolarHBondContact O-N 2.89Å; V105-A108 WeakPolarHBondContact O-CB 3.48Å; V105-A108 PolarHBondContact O-N 3.36Å; V105-A108 VanDerWaalsContact O-N 3.08Å; V105-E109 HydrophobicContact CG1-CG 4.39Å; V105-E109 WeakPolarHBondContact O-CG 3.24Å; V105-E109 PolarHBondContact O-N 2.85Å
106K96.2Very high94.2Very high129 Ų12979.4 Ų79.456%0.56137%0.371SS*.Hα-helixtrans-57.9-44.5179.7-173-178.3175.9-1740112.4E102 R103 A108 E109 D110E102-K106 PolarHBondContact O-N 3.3Å; R103-K106 WeakPolarHBondContact O-CB 3.4Å; R103-K106 PolarHBondContact O-N 2.88Å; R103-K106 VanDerWaalsContact O-N 3.14Å; K106-A108 VanDerWaalsContact C-N 3.32Å; K106-A108 PolarHBondContact O-N 2.88Å; K106-E109 WeakPolarHBondContact O-CB 3.47Å; K106-E109 PolarHBondContact O-N 3.41Å; K106-D110 WeakPolarHBondContact O-CB 3.36Å; K106-D110 PolarHBondContact O-N 3.01Å
107E95.5Very high93.7Very high112 Ų11279.1 Ų79.152%0.52337%0.372SS..Hα-helixtrans-59-41.5175-73.1167.9-173.400112R103 V105 D110 N111R103-E107 WeakPolarHBondContact O-CG 3.39Å; R103-E107 PolarHBondContact O-N 3.39Å; V105-E107 VanDerWaalsContact C-N 3.34Å; V105-E107 PolarHBondContact O-N 2.89Å; E107-D110 PolarHBondContact O-N 3.4Å; E107-N111 WeakPolarHBondContact O-CB 3.31Å; E107-N111 PolarHBondContact O-N 3.41Å; E107-N111 PolarHBondContact O-ND2 2.95Å
108A93.9Very high93.2Very high18 Ų1876.2 Ų76.215%0.14937%0.369CS..Hα-helixtrans-68.1-36.4176.900000112.4L16 K19 S104 V105 K106 I112L16-A108 HydrophobicContact CD1-CB 3.71Å; K19-A108 HydrophobicContact CD-CB 4.03Å; S104-A108 PolarHBondContact O-N 3.43Å; V105-A108 WeakPolarHBondContact O-CB 3.48Å; V105-A108 PolarHBondContact O-N 3.36Å; V105-A108 VanDerWaalsContact O-N 3.08Å; K106-A108 VanDerWaalsContact C-N 3.32Å; K106-A108 PolarHBondContact O-N 2.88Å; A108-I112 WeakPolarHBondContact O-CG1 3.46Å; A108-I112 PolarHBondContact O-N 3.32Å
109E94.1Very high92.3Very high64 Ų6479.1 Ų79.130%0.29938%0.379SS..Hα-helixtrans-65.1-45.7172.4-67.9-175.6173.400112.2L16 V105 K106 I112 R113L16-E109 HydrophobicContact CD1-CG 3.78Å; L16-E109 HydrophobicContact CD2-CG 3.96Å; L16-E109 HydrophobicContact CG-CG 4.47Å; V105-E109 HydrophobicContact CG1-CG 4.39Å; V105-E109 WeakPolarHBondContact O-CG 3.24Å; V105-E109 PolarHBondContact O-N 2.85Å; K106-E109 WeakPolarHBondContact O-CB 3.47Å; K106-E109 PolarHBondContact O-N 3.41Å; E109-I112 PolarHBondContact O-N 3.25Å; E109-R113 WeakPolarHBondContact O-CG 3.5Å; E109-R113 PolarHBondContact O-N 3.49Å; E109-R113 IonicContact OE2-CZ 3.17Å; E109-R113 IonicContact OE2-NH1 2.65Å; E109-R113 IonicContact OE2-NH2 3.8Å; E109-R113 PolarHBondContact OE2-NH2 3.01Å
110D94.9Very high91.4Very high55 Ų5587.2 Ų87.229%0.29440%0.401SS..Hα-helixtrans-61.9-44.6179.7-73.9-27000110.7K106 E107 I112 R113 E114K106-D110 WeakPolarHBondContact O-CB 3.36Å; K106-D110 PolarHBondContact O-N 3.01Å; E107-D110 PolarHBondContact O-N 3.4Å; D110-I112 VanDerWaalsContact C-N 3.28Å; D110-I112 PolarHBondContact O-N 3.09Å; D110-R113 WeakPolarHBondContact O-CB 3.32Å; D110-R113 PolarHBondContact O-N 2.88Å; D110-R113 VanDerWaalsContact O-N 3.11Å; D110-R113 IonicContact OD1-CZ 3.26Å; D110-R113 IonicContact OD1-NH1 2.73Å; D110-R113 PolarHBondContact OD1-NH1 3.14Å; D110-E114 WeakPolarHBondContact O-CG 3.48Å; D110-E114 PolarHBondContact O-N 3.35Å
111N92Very high90.3Very high95 Ų9585 Ų8551%0.50841%0.412SS..Hα-helixtrans-56.1-40.8173.8-71.3-18.1000112.5E107 M115E107-N111 WeakPolarHBondContact O-CB 3.31Å; E107-N111 PolarHBondContact O-N 3.41Å; E107-N111 PolarHBondContact O-ND2 2.95Å; N111-M115 WeakPolarHBondContact O-CG 3.39Å; N111-M115 PolarHBondContact O-N 3.38Å
112I90.8Very high88.4Confident12 Ų1294.6 Ų94.66%0.06246%0.456CS..Hα-helixtrans-71.2-39177.7-71.5164.1000111.5L9 A12 F13 L16 A108 E109 D110 E114 M115 L116L9-I112 HydrophobicContact CD1-CG2 4.36Å; A12-I112 HydrophobicContact CB-CD1 4.12Å; A12-I112 HydrophobicContact CB-CG1 4.03Å; A12-I112 WeakPolarHBondContact O-CD1 3.4Å; F13-I112 HydrophobicContact CD1-CG2 4.19Å; F13-I112 HydrophobicContact CE1-CG2 3.59Å; F13-I112 HydrophobicContact CE2-CG2 4.15Å; F13-I112 HydrophobicContact CZ-CG2 3.57Å; L16-I112 HydrophobicContact CB-CD1 3.5Å; L16-I112 HydrophobicContact CD2-CD1 3.54Å; L16-I112 HydrophobicContact CG-CD1 4.02Å; A108-I112 WeakPolarHBondContact O-CG1 3.46Å; A108-I112 PolarHBondContact O-N 3.32Å; E109-I112 PolarHBondContact O-N 3.25Å; D110-I112 VanDerWaalsContact C-N 3.28Å; D110-I112 PolarHBondContact O-N 3.09Å; I112-E114 VanDerWaalsContact C-N 3.33Å; I112-M115 HydrophobicContact CB-CE 4.25Å; I112-M115 HydrophobicContact CG1-CE 3.64Å; I112-M115 PolarHBondContact O-N 2.97Å; I112-L116 HydrophobicContact CG2-CD1 4.47Å; I112-L116 WeakPolarHBondContact O-CG 3.42Å; I112-L116 PolarHBondContact O-N 3.27Å; I112-L116 VanDerWaalsContact O-N 3.09Å
113R91.1Very high88.1Confident114 Ų11494.7 Ų94.743%0.4346%0.457SS..Hα-helixtrans-61-43.2173.8-70.6176.1-166.5126.510.5111.1E109 D110 L116 M117E109-R113 WeakPolarHBondContact O-CG 3.5Å; E109-R113 PolarHBondContact O-N 3.49Å; E109-R113 IonicContact OE2-CZ 3.17Å; E109-R113 IonicContact OE2-NH1 2.65Å; E109-R113 IonicContact OE2-NH2 3.8Å; E109-R113 PolarHBondContact OE2-NH2 3.01Å; D110-R113 WeakPolarHBondContact O-CB 3.32Å; D110-R113 PolarHBondContact O-N 2.88Å; D110-R113 VanDerWaalsContact O-N 3.11Å; D110-R113 IonicContact OD1-CZ 3.26Å; D110-R113 IonicContact OD1-NH1 2.73Å; D110-R113 PolarHBondContact OD1-NH1 3.14Å; R113-L116 WeakPolarHBondContact O-CB 3.46Å; R113-L116 PolarHBondContact O-N 3.22Å; R113-M117 WeakPolarHBondContact O-CG 3.25Å; R113-M117 PolarHBondContact O-N 3.44Å
114E90.7Very high87.6Confident127 Ų12792.3 Ų92.359%0.59345%0.453SS*.Hα-helixtrans-62-45.4176.8-73.4-178.2-177.200111.9D110 I112 L116 M117 A118D110-E114 WeakPolarHBondContact O-CG 3.48Å; D110-E114 PolarHBondContact O-N 3.35Å; I112-E114 VanDerWaalsContact C-N 3.33Å; E114-L116 VanDerWaalsContact C-N 3.28Å; E114-L116 PolarHBondContact O-N 2.97Å; E114-M117 PolarHBondContact O-N 3.03Å; E114-M117 VanDerWaalsContact O-N 3.14Å; E114-A118 WeakPolarHBondContact O-CB 3.18Å; E114-A118 PolarHBondContact O-N 3.25Å
115M87.9Confident87.2Confident88 Ų8896.4 Ų96.443%0.43347%0.471SS..Hα-helixtrans-57.7-39.2174.4-74.4-171.6-70.800112.5A12 N111 I112 R119A12-M115 HydrophobicContact CB-CE 3.82Å; N111-M115 WeakPolarHBondContact O-CG 3.39Å; N111-M115 PolarHBondContact O-N 3.38Å; I112-M115 HydrophobicContact CB-CE 4.25Å; I112-M115 HydrophobicContact CG1-CE 3.64Å; I112-M115 PolarHBondContact O-N 2.97Å; M115-R119 PolarHBondContact O-N 2.99Å
116L87.7Confident86.7Confident65 Ų65101.1 Ų101.134%0.3449%0.493SS..Hα-helixtrans-69.1-39.2175.8-71.5172.7000112.8L9 F13 I112 R113 E114 R119 R120L9-L116 HydrophobicContact CD1-CD2 4.06Å; L9-L116 HydrophobicContact CD1-CG 4.33Å; L9-L116 HydrophobicContact CD2-CD2 3.67Å; L9-L116 HydrophobicContact CG-CD2 4.49Å; F13-L116 HydrophobicContact CZ-CD1 4.2Å; I112-L116 HydrophobicContact CG2-CD1 4.47Å; I112-L116 WeakPolarHBondContact O-CG 3.42Å; I112-L116 PolarHBondContact O-N 3.27Å; I112-L116 VanDerWaalsContact O-N 3.09Å; R113-L116 WeakPolarHBondContact O-CB 3.46Å; R113-L116 PolarHBondContact O-N 3.22Å; E114-L116 VanDerWaalsContact C-N 3.28Å; E114-L116 PolarHBondContact O-N 2.97Å; L116-R119 PolarHBondContact O-N 3.23Å; L116-R120 PolarHBondContact O-N 2.73Å
117M88.7Confident86.1Confident131 Ų13199.3 Ų99.365%0.64549%0.489SS*.Hα-helixtrans-68.2-43178-73.2-173.8-179.900111.7R113 E114 R119 R120 A121R113-M117 WeakPolarHBondContact O-CG 3.25Å; R113-M117 PolarHBondContact O-N 3.44Å; E114-M117 PolarHBondContact O-N 3.03Å; E114-M117 VanDerWaalsContact O-N 3.14Å; M117-R119 PolarHBondContact O-N 3.46Å; M117-R120 PolarHBondContact O-N 3.1Å; M117-A121 PolarHBondContact O-N 3.38Å
118A85.5Confident85.5Confident57 Ų5798.5 Ų98.547%0.47149%0.486SS..Hα-helixtrans-57.2-34.3175.800000112.1E114E114-A118 WeakPolarHBondContact O-CB 3.18Å; E114-A118 PolarHBondContact O-N 3.25Å
119R77.6Confident84.9Confident115 Ų115104.2 Ų104.243%0.43451%0.51SS..Hα-helixtrans-71-29.7175.4-169.3-178.2178.2169.37.2113.8D6 M115 L116 M117 A121D6-R119 IonicContact OD1-CZ 3.92Å; D6-R119 VanDerWaalsContact OD1-CZ 3.26Å; D6-R119 IonicContact OD1-NH1 3.86Å; D6-R119 PolarHBondContact OD1-NH1 3.38Å; D6-R119 IonicContact OD1-NH2 2.78Å; D6-R119 PolarHBondContact OD1-NH2 2.93Å; D6-R119 IonicContact OD2-NH2 3.73Å; M115-R119 PolarHBondContact O-N 2.99Å; L116-R119 PolarHBondContact O-N 3.23Å; M117-R119 PolarHBondContact O-N 3.46Å; R119-A121 VanDerWaalsContact C-N 3.34Å
120R76.7Confident84.2Confident222 Ų222107.3 Ų107.384%0.83853%0.527SS*.Hα-helixtrans-79.5-19.3178.1-70.7-178.6178.5-179.40113.1L116 M117 Q122L116-R120 PolarHBondContact O-N 2.73Å; M117-R120 PolarHBondContact O-N 3.1Å; R120-Q122 VanDerWaalsContact C-N 3.34Å
121A75.1Confident83.3Confident92 Ų92111.7 Ų111.776%0.7655%0.546SS*.THydrogen-bonded Turntrans-86.4-5.4177.400000113.3M117 R119M117-A121 PolarHBondContact O-N 3.38Å; R119-A121 VanDerWaalsContact C-N 3.34Å
122Q55.8Low82.5Confident222 Ų222113.2 Ų113.2100%1.03755%0.55SS*.  trans-102.40172.8-66.4-179.30.200110.3R120R120-Q122 VanDerWaalsContact C-N 3.34Å

Retrieved 122 of 122 residues in 218.2 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).