A0A087WZN3_HUMAN Loading...

Dehydrogenase/reductase 11

AlphaFold DB , UniProt , Accession A0A087WZN3, Species HUMAN (Homo sapiens, Human), Gene DHRS11, Length 150 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
1M93.1Very high97.6Very high154 Ų15488.5 Ų88.576%0.75949%0.485SS*.  0-73.40-170.3178.474.700111.5S3 A4 I5M1-S3 VanDerWaalsContact C-N 3.31Å; M1-S3 PolarHBondContact O-N 2.84Å; M1-A4 WeakPolarHBondContact O-CB 3.34Å; M1-A4 PolarHBondContact O-N 2.78Å; M1-I5 HydrophobicContact CG-CD1 4.13Å; M1-I5 PolarHBondContact O-N 3.05Å
2F97Very high97.7Very high36 Ų3682.7 Ų82.716%0.15845%0.454CS..Hα-helixtrans-55-38.2-176.7-78.2-91.7000114.8A4 I5 R6 V12 C49 E52 A53F2-A4 VanDerWaalsContact C-N 3.3Å; F2-A4 PolarHBondContact O-N 3.33Å; F2-I5 PolarHBondContact O-N 3.39Å; F2-R6 WeakPolarHBondContact O-CB 3.45Å; F2-R6 PolarHBondContact O-N 3.07Å; F2-V12 HydrophobicContact CD1-CG2 3.94Å; F2-V12 HydrophobicContact CE1-CB 4.16Å; F2-V12 HydrophobicContact CE1-CG1 4.5Å; F2-V12 HydrophobicContact CE1-CG2 3.7Å; F2-C49 HydrophobicContact CE2-CB 4.4Å; F2-C49 HydrophobicContact CZ-CB 4.48Å; F2-E52 HydrophobicContact CB-CB 4.44Å; F2-E52 HydrophobicContact CD1-CB 3.85Å; F2-E52 HydrophobicContact CD2-CB 3.51Å; F2-E52 HydrophobicContact CD2-CG 4.03Å; F2-E52 HydrophobicContact CE1-CB 3.89Å; F2-E52 HydrophobicContact CE2-CB 3.57Å; F2-E52 HydrophobicContact CE2-CG 4.27Å; F2-E52 HydrophobicContact CG-CB 3.66Å; F2-E52 HydrophobicContact CG-CG 4.45Å; F2-E52 HydrophobicContact CZ-CB 3.76Å; F2-A53 HydrophobicContact CE1-CB 3.99Å; F2-A53 HydrophobicContact CZ-CB 4.19Å
3S97.8Very high97.7Very high99 Ų9982.2 Ų82.269%0.69245%0.45SS*.Hα-helixtrans-57.4-39.4173.4172.10000113.5M1 S7M1-S3 VanDerWaalsContact C-N 3.31Å; M1-S3 PolarHBondContact O-N 2.84Å; S3-S7 PolarHBondContact O-N 3.16Å; S3-S7 VanDerWaalsContact O-N 3.16Å; S3-S7 PolarHBondContact O-OG 2.94Å
4A98.4Very high97.8Very high42 Ų4284 Ų8435%0.34746%0.457SS..Hα-helixtrans-72.3-38.6177.100000111.7M1 F2 R6 S7 Q8M1-A4 WeakPolarHBondContact O-CB 3.34Å; M1-A4 PolarHBondContact O-N 2.78Å; F2-A4 VanDerWaalsContact C-N 3.3Å; F2-A4 PolarHBondContact O-N 3.33Å; A4-R6 VanDerWaalsContact C-N 3.34Å; A4-R6 PolarHBondContact O-N 3.37Å; A4-S7 PolarHBondContact O-N 2.74Å; A4-S7 PolarHBondContact O-OG 3.21Å; A4-S7 VanDerWaalsContact O-OG 3.07Å; A4-Q8 WeakPolarHBondContact O-CB 3.35Å; A4-Q8 WeakPolarHBondContact O-CG 3.49Å; A4-Q8 PolarHBondContact O-N 2.7Å
5I98.6Very high97.9Very high44 Ų4479.2 Ų79.223%0.22643%0.432CS..Hα-helixtrans-61.6-45.3174.6-58.9171.7000110M1 F2 S7 Q8 H9 S10 G11 V12M1-I5 HydrophobicContact CG-CD1 4.13Å; M1-I5 PolarHBondContact O-N 3.05Å; F2-I5 PolarHBondContact O-N 3.39Å; I5-S7 VanDerWaalsContact C-N 3.33Å; I5-S7 PolarHBondContact O-N 3.4Å; I5-Q8 PolarHBondContact O-N 3.06Å; I5-H9 HydrophobicContact CG2-CB 4.22Å; I5-H9 CarbonylContact O-C 3.46Å; I5-H9 WeakPolarHBondContact O-CA 3.35Å; I5-H9 WeakPolarHBondContact O-CB 3.5Å; I5-H9 PolarHBondContact O-N 3.28Å; I5-S10 PolarHBondContact O-N 3.42Å; I5-G11 WeakPolarHBondContact CG2-O 3.41Å; I5-V12 HydrophobicContact CB-CG2 4.47Å; I5-V12 HydrophobicContact CD1-CG2 3.87Å; I5-V12 HydrophobicContact CG2-CG2 3.77Å
6R97.5Very high97.9Very high146 Ų14679.8 Ų79.855%0.55143%0.434SS*.Hα-helixtrans-59.1-42.2177.9-173.9178.6179.7-76-0.3112.3F2 A4 S10 E59F2-R6 WeakPolarHBondContact O-CB 3.45Å; F2-R6 PolarHBondContact O-N 3.07Å; A4-R6 VanDerWaalsContact C-N 3.34Å; A4-R6 PolarHBondContact O-N 3.37Å; R6-S10 WeakPolarHBondContact O-CA 3.48Å; R6-S10 PolarHBondContact O-N 3.49Å; R6-E59 WeakPolarHBondContact CD-OE1 3.39Å; R6-E59 IonicContact CZ-OE2 3.91Å; R6-E59 IonicContact NE-OE1 2.96Å; R6-E59 PolarHBondContact NE-OE1 2.95Å; R6-E59 IonicContact NE-OE2 2.7Å; R6-E59 PolarHBondContact NE-OE2 3.34Å; R6-E59 IonicContact NH2-OE2 3.63Å
7S98Very high98Very high89 Ų8975.9 Ų75.962%0.62241%0.412SS*.Hα-helixtrans-76.4-25.9-178.763.20000114.2S3 A4 I5S3-S7 PolarHBondContact O-N 3.16Å; S3-S7 VanDerWaalsContact O-N 3.16Å; S3-S7 PolarHBondContact O-OG 2.94Å; A4-S7 PolarHBondContact O-N 2.74Å; A4-S7 PolarHBondContact O-OG 3.21Å; A4-S7 VanDerWaalsContact O-OG 3.07Å; I5-S7 VanDerWaalsContact C-N 3.33Å; I5-S7 PolarHBondContact O-N 3.4Å
8Q98.5Very high98Very high133 Ų13377.4 Ų77.462%0.62142%0.42SS*.Hα-helixtrans-107-24.6-172.8-63.9169.11700113.6A4 I5A4-Q8 WeakPolarHBondContact O-CB 3.35Å; A4-Q8 WeakPolarHBondContact O-CG 3.49Å; A4-Q8 PolarHBondContact O-N 2.7Å; I5-Q8 PolarHBondContact O-N 3.06Å
9H98.3Very high98Very high130 Ų13077.3 Ų77.360%0.60243%0.43SS*.Hα-helixtrans-140.817.4-168.7-52.5-56.9000113.2I5 G11I5-H9 HydrophobicContact CG2-CB 4.22Å; I5-H9 CarbonylContact O-C 3.46Å; I5-H9 WeakPolarHBondContact O-CA 3.35Å; I5-H9 WeakPolarHBondContact O-CB 3.5Å; I5-H9 PolarHBondContact O-N 3.28Å; H9-G11 PolarHBondContact O-N 2.88Å
10S97.8Very high98Very high86 Ų8675.1 Ų75.160%0.60143%0.426SS*.SBendtrans69.2-44.6-178.2-50.30000115.2I5 R6 R60I5-S10 PolarHBondContact O-N 3.42Å; R6-S10 WeakPolarHBondContact O-CA 3.48Å; R6-S10 PolarHBondContact O-N 3.49Å; S10-R60 WeakPolarHBondContact O-CD 3.28Å
11G98.3Very high98Very high15 Ų1573.6 Ų73.616%0.15542%0.417CS..  trans168.2-164.2-179.500000113.9I5 H9 S56I5-G11 WeakPolarHBondContact CG2-O 3.41Å; H9-G11 PolarHBondContact O-N 2.88Å; G11-S56 VanDerWaalsContact CA-OG 3.28Å; G11-S56 WeakPolarHBondContact CA-OG 3.35Å
12V98.6Very high98.2Very high18 Ų1866.4 Ų66.411%0.10938%0.382CS..  trans-118.7119.7-177.6177.90000110.6F2 I5 I14 C15 A53 S56 M57 R60F2-V12 HydrophobicContact CD1-CG2 3.94Å; F2-V12 HydrophobicContact CE1-CB 4.16Å; F2-V12 HydrophobicContact CE1-CG1 4.5Å; F2-V12 HydrophobicContact CE1-CG2 3.7Å; I5-V12 HydrophobicContact CB-CG2 4.47Å; I5-V12 HydrophobicContact CD1-CG2 3.87Å; I5-V12 HydrophobicContact CG2-CG2 3.77Å; V12-I14 WeakPolarHBondContact CG1-O 3.44Å; V12-C15 HydrophobicContact CG1-CB 4.37Å; V12-A53 HydrophobicContact CG1-CB 4.23Å; V12-S56 PolarHBondContact N-OG 3.2Å; V12-M57 VanDerWaalsContact O-CG 3.27Å; V12-M57 WeakPolarHBondContact O-CG 3.47Å; V12-R60 VanDerWaalsContact C-NH2 3.31Å; V12-R60 PolarHBondContact O-NH2 3.05Å
13D98.8Very high98.2Very high76 Ų7668.4 Ų68.441%0.40639%0.389SS..SBendtrans-100.2-23.1175.1-62.6-16.9000112.5M57 R60 G65 H66D13-M57 WeakPolarHBondContact O-CE 3.47Å; D13-R60 IonicContact OD1-CZ 3.18Å; D13-R60 IonicContact OD1-NH1 3.74Å; D13-R60 PolarHBondContact OD1-NH1 3.18Å; D13-R60 IonicContact OD1-NH2 2.74Å; D13-R60 PolarHBondContact OD1-NH2 2.83Å; D13-R60 IonicContact OD2-NH1 3.39Å; D13-G65 CarbonylContact O-C 3.57Å; D13-G65 WeakPolarHBondContact O-CA 3.38Å; D13-H66 PolarHBondContact O-N 2.84Å
14I98.8Very high98.1Very high108 Ų10866 Ų6655%0.55437%0.371SS*.EExtended strand (participates in β ladder)trans-130.5126.6176.2-60.5175.5000109.5V12 I16 H66V12-I14 WeakPolarHBondContact CG1-O 3.44Å; I14-I16 HydrophobicContact CG2-CD1 3.63Å; I14-I16 HydrophobicContact CG2-CG1 4.19Å; I14-H66 CarbonylContact C-O 3.56Å; I14-H66 VanDerWaalsContact CA-O 3.27Å; I14-H66 WeakPolarHBondContact CA-O 3.4Å; I14-H66 HydrophobicContact CG1-CB 4.46Å
15C98.9Very high98Very high12 Ų1265.1 Ų65.18%0.08136%0.36CS..EExtended strand (participates in β ladder)trans-117.3116.4175.6-173.90000110V12 A53 H66 I67 I68V12-C15 HydrophobicContact CG1-CB 4.37Å; C15-A53 HydrophobicContact CB-CB 3.56Å; C15-H66 PolarHBondContact N-O 3.18Å; C15-I67 HydrophobicContact CB-CG1 4.24Å; C15-I67 HydrophobicContact CB-CG2 4.39Å; C15-I67 WeakPolarHBondContact O-CA 3.45Å; C15-I68 PolarHBondContact O-N 3.06Å
16I98.8Very high98Very high88 Ų8864.4 Ų64.445%0.45136%0.358SS..EExtended strand (participates in β ladder)trans-104.4100174.8-46-60.9000108.8I14 N18 I68 I70I14-I16 HydrophobicContact CG2-CD1 3.63Å; I14-I16 HydrophobicContact CG2-CG1 4.19Å; I16-N18 HydrophobicContact CG2-CB 4.08Å; I16-N18 PolarHBondContact O-N 3.39Å; I16-I68 CarbonylContact C-O 3.55Å; I16-I68 WeakPolarHBondContact CA-O 3.46Å; I16-I68 HydrophobicContact CD1-CB 3.73Å; I16-I68 HydrophobicContact CD1-CD1 3.6Å; I16-I68 HydrophobicContact CD1-CG1 4.03Å; I16-I70 HydrophobicContact CG2-CD1 4.4Å; I16-I70 HydrophobicContact CG2-CG1 4.31Å
17N98.8Very high98.1Very high14 Ų1461.7 Ų61.78%0.07535%0.354CS..EExtended strand (participates in β ladder)trans-78.578.1174.1-67.9-51.8000109.9L46 C49 T50 I68 N69 I70N17-L46 HydrophobicContact CB-CB 4.24Å; N17-L46 HydrophobicContact CB-CD1 3.78Å; N17-L46 HydrophobicContact CB-CG 3.66Å; N17-C49 WeakPolarHBondContact OD1-CB 3.42Å; N17-T50 PolarHBondContact ND2-OG1 3.35Å; N17-I68 PolarHBondContact N-O 3.31Å; N17-N69 WeakPolarHBondContact CB-OD1 3.49Å; N17-N69 PolarHBondContact ND2-OD1 2.8Å; N17-I70 PolarHBondContact O-N 2.75Å
18N98.6Very high98.1Very high104 Ų10465.7 Ų65.756%0.55637%0.367SS*.  trans-95.1-32.8-177174.569.6000114.2I16 G20 I70I16-N18 HydrophobicContact CG2-CB 4.08Å; I16-N18 PolarHBondContact O-N 3.39Å; N18-G20 PolarHBondContact O-N 3.18Å; N18-I70 HydrophobicContact CB-CG1 3.78Å
19A98.1Very high98.1Very high74 Ų7464.4 Ų64.461%0.61237%0.373SS*.  trans-56.3129.8-175.700000111V41A19-V41 HydrophobicContact CB-CG1 4.21Å
20G97.4Very high98Very high33 Ų3359 Ų5934%0.3435%0.352SS..  trans-168154.918000000112.4N18 N42N18-G20 PolarHBondContact O-N 3.18Å; G20-N42 WeakPolarHBondContact CA-OD1 3.27Å
21L98Very high98Very high44 Ų4457.1 Ų57.123%0.2334%0.339CS..  trans-146.2164.6177.769123.4000111.9R23 D37 M38 V41 N42 Y87L21-R23 HydrophobicContact CD1-CG 3.69Å; L21-D37 HydrophobicContact CD1-CB 4.43Å; L21-M38 HydrophobicContact CD1-CG 4.23Å; L21-V41 HydrophobicContact CD2-CB 3.61Å; L21-V41 HydrophobicContact CD2-CG1 3.96Å; L21-V41 HydrophobicContact CD2-CG2 3.53Å; L21-N42 PolarHBondContact N-OD1 3.17Å; L21-N42 PolarHBondContact O-ND2 3.37Å; L21-N42 PolarHBondContact O-OD1 3.2Å; L21-Y87 WeakPolarHBondContact O-CD2 3.41Å
22A97.4Very high98.1Very high4 Ų460.5 Ų60.53%0.03336%0.357CS..  trans-124.6144.9163.100000108.9M38 Y87 F126 L130A22-M38 HydrophobicContact CB-SD 4.43Å; A22-Y87 HydrophobicContact CB-CD2 3.83Å; A22-Y87 HydrophobicContact CB-CG 3.95Å; A22-F126 HydrophobicContact CB-CE1 3.89Å; A22-F126 HydrophobicContact CB-CZ 3.65Å; A22-L130 HydrophobicContact CB-CD1 3.8Å; A22-L130 HydrophobicContact CB-CD2 4.47Å
23R96.8Very high98.1Very high78 Ų7862.7 Ų62.729%0.29437%0.373SS..  trans-114145.1168.7-59.4-65.7-71.7146.3-3.9108.4L21 D25 M38 D132L21-R23 HydrophobicContact CD1-CG 3.69Å; R23-D25 WeakPolarHBondContact CB-OD2 3.2Å; R23-D25 PolarHBondContact O-N 2.94Å; R23-M38 HydrophobicContact CB-CE 4.1Å; R23-M38 HydrophobicContact CB-CG 4.49Å; R23-M38 HydrophobicContact CB-SD 4.47Å; R23-M38 HydrophobicContact CG-CG 4.28Å; R23-M38 PolarHBondContact N-SD 3.14Å; R23-M38 VanDerWaalsContact N-SD 3.35Å; R23-D132 IonicContact NH1-OD2 3.09Å; R23-D132 PolarHBondContact NH1-OD2 2.96Å; R23-D132 VanDerWaalsContact NH1-OD2 3.09Å
24P95.8Very high98Very high49 Ų4959.1 Ų59.132%0.31835%0.354SS..  trans-75.943.5-176.233.1-36.6000113V83 L130P24-V83 HydrophobicContact CB-CB 4.22Å; P24-V83 HydrophobicContact CB-CG1 4.18Å; P24-L130 HydrophobicContact CB-CD1 4.2Å; P24-L130 WeakPolarHBondContact CG-O 3.44Å
25D97.3Very high98Very high22 Ų2256.9 Ų56.912%0.11834%0.339CS..  trans-100.397-176-69.8-71.1000110.3R23 S31 G34 W35R23-D25 WeakPolarHBondContact CB-OD2 3.2Å; R23-D25 PolarHBondContact O-N 2.94Å; D25-S31 VanDerWaalsContact CG-OG 3.25Å; D25-S31 WeakPolarHBondContact OD1-CB 3.18Å; D25-S31 PolarHBondContact OD1-N 3.2Å; D25-S31 PolarHBondContact OD1-OG 3.34Å; D25-S31 PolarHBondContact OD2-OG 2.96Å; D25-G34 WeakPolarHBondContact OD2-CA 3.15Å; D25-W35 PolarHBondContact O-NE1 2.96Å
26T98.2Very high98Very high29 Ų2962.1 Ų62.118%0.17836%0.36CS..  trans-66.6161.3-179.379.80000112.4L28 S29 G30 W35 V83T26-L28 VanDerWaalsContact C-N 3.3Å; T26-L28 PolarHBondContact O-N 3.12Å; T26-S29 PolarHBondContact OG1-N 2.96Å; T26-S29 PolarHBondContact OG1-OG 2.95Å; T26-G30 WeakPolarHBondContact O-CA 3.21Å; T26-G30 PolarHBondContact O-N 2.89Å; T26-W35 WeakPolarHBondContact O-CZ2 3.27Å; T26-V83 HydrophobicContact CG2-CG1 4.11Å
27L98.6Very high98Very high89 Ų8961.4 Ų61.447%0.46636%0.357SS..THydrogen-bonded Turntrans-67.8-26.5-179.6-59.5-178.1000114.2H85 F86L27-H85 HydrophobicContact CD1-CB 3.85Å; L27-H85 HydrophobicContact CD2-CB 4.4Å; L27-H85 HydrophobicContact CG-CB 3.83Å; L27-F86 HydrophobicContact CD2-CB 4.01Å; L27-F86 HydrophobicContact CD2-CD2 3.97Å
28L98.4Very high98Very high174 Ų17460.7 Ų60.791%0.91135%0.354SS*.THydrogen-bonded Turntrans-88.6-23.7-174.4-60.4-177.1000113.4T26T26-L28 VanDerWaalsContact C-N 3.3Å; T26-L28 PolarHBondContact O-N 3.12Å
29S97.9Very high98Very high105 Ų10560.3 Ų60.373%0.73435%0.347SS*.THydrogen-bonded Turntrans-151.15.1-171.960.40000114.7T26T26-S29 PolarHBondContact OG1-N 2.96Å; T26-S29 PolarHBondContact OG1-OG 2.95Å
30G97.3Very high98.1Very high17 Ų1760.4 Ų60.418%0.17534%0.337CS..  trans-69.1158.5-179.700000113.3T26T26-G30 WeakPolarHBondContact O-CA 3.21Å; T26-G30 PolarHBondContact O-N 2.89Å
31S98.3Very high98.1Very high46 Ų4661 Ų6132%0.32233%0.334SS..  trans-76.6133.9176.571.90000111.7D25 S33 G34 W35D25-S31 VanDerWaalsContact CG-OG 3.25Å; D25-S31 WeakPolarHBondContact OD1-CB 3.18Å; D25-S31 PolarHBondContact OD1-N 3.2Å; D25-S31 PolarHBondContact OD1-OG 3.34Å; D25-S31 PolarHBondContact OD2-OG 2.96Å; S31-S33 WeakPolarHBondContact CB-OG 3.44Å; S31-S33 PolarHBondContact O-N 2.99Å; S31-S33 PolarHBondContact OG-OG 2.81Å; S31-G34 PolarHBondContact O-N 2.92Å; S31-G34 VanDerWaalsContact O-N 3.14Å; S31-G34 PolarHBondContact OG-N 2.97Å; S31-W35 PolarHBondContact O-N 2.95Å
32T98.7Very high98.2Very high87 Ų8759 Ų5953%0.53432%0.323SS..Hα-helixtrans-59.9-28.8173.1-48.40000112.1W35 K36T32-W35 HydrophobicContact CG2-CE3 4.47Å; T32-W35 PolarHBondContact O-N 3.37Å; T32-K36 WeakPolarHBondContact O-CG 3.37Å; T32-K36 PolarHBondContact O-N 2.95Å
33S98.5Very high98.2Very high63 Ų6359.2 Ų59.244%0.44132%0.324SS..Hα-helixtrans-60.7-47.2174.241.50000112.1S31 W35 K36 D37S31-S33 WeakPolarHBondContact CB-OG 3.44Å; S31-S33 PolarHBondContact O-N 2.99Å; S31-S33 PolarHBondContact OG-OG 2.81Å; S33-W35 VanDerWaalsContact C-N 3.31Å; S33-W35 PolarHBondContact O-N 3.48Å; S33-K36 WeakPolarHBondContact O-CB 3.2Å; S33-K36 PolarHBondContact O-N 3.26Å; S33-D37 VanDerWaalsContact O-CG 3.23Å; S33-D37 PolarHBondContact O-N 2.72Å
34G98.1Very high98.3Very high1 Ų159.1 Ų59.11%0.0133%0.329CS..Hα-helixtrans-67.7-32.9179.200000113.1D25 S31 D37 M38D25-G34 WeakPolarHBondContact OD2-CA 3.15Å; S31-G34 PolarHBondContact O-N 2.92Å; S31-G34 VanDerWaalsContact O-N 3.14Å; S31-G34 PolarHBondContact OG-N 2.97Å; G34-D37 PolarHBondContact O-N 3.2Å; G34-M38 WeakPolarHBondContact O-CE 3.46Å; G34-M38 WeakPolarHBondContact O-CG 3.45Å; G34-M38 PolarHBondContact O-N 2.92Å
35W98.8Very high98.5Very high62 Ų6258.7 Ų58.724%0.23533%0.33CS..Hα-helixtrans-61.8-45.9170.1-63.3-9.6000112.2D25 T26 S31 T32 S33 M38 F39 F86D25-W35 PolarHBondContact O-NE1 2.96Å; T26-W35 WeakPolarHBondContact O-CZ2 3.27Å; S31-W35 PolarHBondContact O-N 2.95Å; T32-W35 HydrophobicContact CG2-CE3 4.47Å; T32-W35 PolarHBondContact O-N 3.37Å; S33-W35 VanDerWaalsContact C-N 3.31Å; S33-W35 PolarHBondContact O-N 3.48Å; W35-M38 PolarHBondContact O-N 3.47Å; W35-F39 WeakPolarHBondContact O-CB 3.15Å; W35-F39 PolarHBondContact O-N 3.43Å; W35-F86 HydrophobicContact CB-CD1 4.14Å; W35-F86 HydrophobicContact CB-CD2 4.14Å; W35-F86 HydrophobicContact CB-CE1 3.72Å; W35-F86 HydrophobicContact CB-CE2 3.73Å; W35-F86 HydrophobicContact CB-CG 4.33Å; W35-F86 HydrophobicContact CB-CZ 3.51Å; W35-F86 AromaticContact CD1-CD1 3.99Å; W35-F86 AromaticContact CD1-CD2 3.6Å; W35-F86 AromaticContact CD1-CG 3.55Å; W35-F86 AromaticContact CD2-CD2 3.9Å; W35-F86 HydrophobicContact CD2-CD2 3.9Å; W35-F86 AromaticContact CD2-CE2 3.9Å; W35-F86 HydrophobicContact CD2-CE2 3.9Å; W35-F86 HydrophobicContact CE3-CE2 4.31Å; W35-F86 HydrophobicContact CG-CD1 4.19Å; W35-F86 AromaticContact CG-CD2 3.61Å; W35-F86 HydrophobicContact CG-CD2 3.61Å; W35-F86 HydrophobicContact CG-CE1 4.2Å; W35-F86 AromaticContact CG-CE2 3.62Å; W35-F86 HydrophobicContact CG-CE2 3.62Å; W35-F86 AromaticContact CG-CG 3.91Å; W35-F86 HydrophobicContact CG-CG 3.91Å; W35-F86 AromaticContact CG-CZ 3.93Å; W35-F86 HydrophobicContact CG-CZ 3.93Å; W35-F86 AromaticContact NE1-CD2 3.88Å; W35-F86 VanDerWaalsContact O-CE1 3.3Å; W35-F86 WeakPolarHBondContact O-CE1 3.21Å
36K98.8Very high98.6Very high121 Ų12158.1 Ų58.153%0.52633%0.327SS..Hα-helixtrans-62.3-42.6174.8-73-178.7-61.8-179.90111.5T32 S33 F39 N40T32-K36 WeakPolarHBondContact O-CG 3.37Å; T32-K36 PolarHBondContact O-N 2.95Å; S33-K36 WeakPolarHBondContact O-CB 3.2Å; S33-K36 PolarHBondContact O-N 3.26Å; K36-F39 PolarHBondContact O-N 2.92Å; K36-N40 WeakPolarHBondContact O-CB 3.22Å; K36-N40 PolarHBondContact O-N 2.85Å; K36-N40 PolarHBondContact O-ND2 3.03Å
37D98.6Very high98.6Very high73 Ų7358.7 Ų58.739%0.3933%0.332SS..Hα-helixtrans-60.6-47.7178.3-66.3-19.4000111.4L21 S33 G34 N40 V41L21-D37 HydrophobicContact CD1-CB 4.43Å; S33-D37 VanDerWaalsContact O-CG 3.23Å; S33-D37 PolarHBondContact O-N 2.72Å; G34-D37 PolarHBondContact O-N 3.2Å; D37-N40 PolarHBondContact O-N 3.5Å; D37-V41 PolarHBondContact O-N 3.41Å; D37-V41 VanDerWaalsContact O-N 3.16Å
38M98.8Very high98.6Very high0 Ų057.6 Ų57.60%033%0.326CS..Hα-helixtrans-60.9-45.5176.1-74.9-173.7-80.500111.7L21 A22 R23 G34 W35 N42 F86 T90L21-M38 HydrophobicContact CD1-CG 4.23Å; A22-M38 HydrophobicContact CB-SD 4.43Å; R23-M38 HydrophobicContact CB-CE 4.1Å; R23-M38 HydrophobicContact CB-CG 4.49Å; R23-M38 HydrophobicContact CB-SD 4.47Å; R23-M38 HydrophobicContact CG-CG 4.28Å; R23-M38 PolarHBondContact N-SD 3.14Å; R23-M38 VanDerWaalsContact N-SD 3.35Å; G34-M38 WeakPolarHBondContact O-CE 3.46Å; G34-M38 WeakPolarHBondContact O-CG 3.45Å; G34-M38 PolarHBondContact O-N 2.92Å; W35-M38 PolarHBondContact O-N 3.47Å; M38-N42 WeakPolarHBondContact O-CB 3.46Å; M38-N42 PolarHBondContact O-N 3.06Å; M38-N42 PolarHBondContact O-ND2 2.82Å; M38-F86 HydrophobicContact CB-CD1 4.24Å; M38-F86 HydrophobicContact CB-CE1 4.39Å; M38-F86 HydrophobicContact CE-CB 3.86Å; M38-F86 HydrophobicContact CE-CD1 3.6Å; M38-F86 HydrophobicContact CE-CG 4.03Å; M38-F86 HydrophobicContact SD-CD1 4.24Å; M38-T90 HydrophobicContact CB-CG2 4.13Å
39F98.9Very high98.6Very high95 Ų9550.7 Ų50.742%0.41729%0.292SS..Hα-helixtrans-66.2-45.2179.1-175.8-95.1000112.2W35 K36 V41 V43 L44W35-F39 WeakPolarHBondContact O-CB 3.15Å; W35-F39 PolarHBondContact O-N 3.43Å; K36-F39 PolarHBondContact O-N 2.92Å; F39-V41 VanDerWaalsContact C-N 3.28Å; F39-V41 PolarHBondContact O-N 3.33Å; F39-V43 HydrophobicContact CD2-CB 3.87Å; F39-V43 HydrophobicContact CD2-CG1 4.26Å; F39-V43 HydrophobicContact CD2-CG2 3.89Å; F39-V43 HydrophobicContact CE2-CB 3.81Å; F39-V43 HydrophobicContact CE2-CG1 3.68Å; F39-V43 HydrophobicContact CE2-CG2 4.12Å; F39-V43 HydrophobicContact CG-CB 4.39Å; F39-V43 HydrophobicContact CZ-CB 4.28Å; F39-V43 HydrophobicContact CZ-CG1 4.01Å; F39-V43 WeakPolarHBondContact O-CA 3.47Å; F39-V43 WeakPolarHBondContact O-CB 3.31Å; F39-V43 PolarHBondContact O-N 3.23Å; F39-L44 HydrophobicContact CD1-CB 4.35Å; F39-L44 HydrophobicContact CE1-CB 4.16Å; F39-L44 PolarHBondContact O-N 3.39Å
40N98.9Very high98.7Very high76 Ų7646.5 Ų46.541%0.40626%0.262SS..Iπ-helixtrans-57.8-41.2-178.6-76.9-16.7000111.6K36 D37 A45K36-N40 WeakPolarHBondContact O-CB 3.22Å; K36-N40 PolarHBondContact O-N 2.85Å; K36-N40 PolarHBondContact O-ND2 3.03Å; D37-N40 PolarHBondContact O-N 3.5Å; N40-A45 VanDerWaalsContact O-CB 3.26Å; N40-A45 WeakPolarHBondContact O-CB 3.37Å; N40-A45 PolarHBondContact O-N 3.18Å
41V98.8Very high98.8Very high46 Ų4652.3 Ų52.328%0.27928%0.279SS..Iπ-helixtrans-86.6-54.5179.3-179.80000111.8A19 L21 D37 F39 V43A19-V41 HydrophobicContact CB-CG1 4.21Å; L21-V41 HydrophobicContact CD2-CB 3.61Å; L21-V41 HydrophobicContact CD2-CG1 3.96Å; L21-V41 HydrophobicContact CD2-CG2 3.53Å; D37-V41 PolarHBondContact O-N 3.41Å; D37-V41 VanDerWaalsContact O-N 3.16Å; F39-V41 VanDerWaalsContact C-N 3.28Å; F39-V41 PolarHBondContact O-N 3.33Å; V41-V43 VanDerWaalsContact C-N 3.3Å; V41-V43 PolarHBondContact O-N 3.09Å
42N98.9Very high98.8Very high1 Ų153.1 Ų53.11%0.00528%0.278CS..Iπ-helixtrans-72.7-24.3-167.9-56.1-8.8000113G20 L21 M38 T90 V94G20-N42 WeakPolarHBondContact CA-OD1 3.27Å; L21-N42 PolarHBondContact N-OD1 3.17Å; L21-N42 PolarHBondContact O-ND2 3.37Å; L21-N42 PolarHBondContact O-OD1 3.2Å; M38-N42 WeakPolarHBondContact O-CB 3.46Å; M38-N42 PolarHBondContact O-N 3.06Å; M38-N42 PolarHBondContact O-ND2 2.82Å; N42-T90 HydrophobicContact CB-CG2 4.49Å; N42-T90 PolarHBondContact ND2-OG1 3.47Å; N42-V94 WeakPolarHBondContact O-CG2 3.38Å
43V98.9Very high98.8Very high9 Ų949 Ų496%0.05525%0.252CS..Iπ-helixtrans-120.5-60.3-174.9-173.20000110.7F39 V41 L46 S47 T90 A93 L97F39-V43 HydrophobicContact CD2-CB 3.87Å; F39-V43 HydrophobicContact CD2-CG1 4.26Å; F39-V43 HydrophobicContact CD2-CG2 3.89Å; F39-V43 HydrophobicContact CE2-CB 3.81Å; F39-V43 HydrophobicContact CE2-CG1 3.68Å; F39-V43 HydrophobicContact CE2-CG2 4.12Å; F39-V43 HydrophobicContact CG-CB 4.39Å; F39-V43 HydrophobicContact CZ-CB 4.28Å; F39-V43 HydrophobicContact CZ-CG1 4.01Å; F39-V43 WeakPolarHBondContact O-CA 3.47Å; F39-V43 WeakPolarHBondContact O-CB 3.31Å; F39-V43 PolarHBondContact O-N 3.23Å; V41-V43 VanDerWaalsContact C-N 3.3Å; V41-V43 PolarHBondContact O-N 3.09Å; V43-L46 PolarHBondContact O-N 2.97Å; V43-S47 WeakPolarHBondContact O-CB 3.28Å; V43-S47 PolarHBondContact O-N 3.44Å; V43-S47 PolarHBondContact O-OG 3.1Å; V43-S47 VanDerWaalsContact O-OG 3.06Å; V43-T90 HydrophobicContact CG2-CG2 4.3Å; V43-A93 HydrophobicContact CG1-CB 4.31Å; V43-A93 HydrophobicContact CG2-CB 4.1Å; V43-L97 HydrophobicContact CG1-CD1 3.74Å
44L98.9Very high98.8Very high76 Ų7648.3 Ų48.340%0.39824%0.24SC..Iπ-helixtrans-68.1-49.5-170.6-175.563000112.2F39 L46 S47 I48F39-L44 HydrophobicContact CD1-CB 4.35Å; F39-L44 HydrophobicContact CE1-CB 4.16Å; F39-L44 PolarHBondContact O-N 3.39Å; L44-L46 VanDerWaalsContact C-N 3.31Å; L44-L46 PolarHBondContact O-N 2.87Å; L44-S47 PolarHBondContact O-N 3.26Å; L44-I48 HydrophobicContact CD1-CD1 4.29Å; L44-I48 HydrophobicContact CG-CD1 3.96Å; L44-I48 VanDerWaalsContact O-CG1 3.3Å; L44-I48 WeakPolarHBondContact O-CG1 3.33Å; L44-I48 PolarHBondContact O-N 2.85Å
45A98.9Very high98.8Very high40 Ų4052.6 Ų52.633%0.33126%0.26SS..Iπ-helixtrans-63.6-38.1177.900000111.8N40 I48 C49N40-A45 VanDerWaalsContact O-CB 3.26Å; N40-A45 WeakPolarHBondContact O-CB 3.37Å; N40-A45 PolarHBondContact O-N 3.18Å; A45-I48 PolarHBondContact O-N 2.84Å; A45-C49 WeakPolarHBondContact O-CB 3.46Å; A45-C49 PolarHBondContact O-N 2.82Å; A45-C49 PolarHBondContact O-SG 3.08Å
46L98.9Very high98.9Very high11 Ų1150 Ų506%0.05825%0.251CS..Hα-helixtrans-57.6-49.8171.5175.6152.9000111.1N17 V43 L44 I48 C49 T50 N69 V94N17-L46 HydrophobicContact CB-CB 4.24Å; N17-L46 HydrophobicContact CB-CD1 3.78Å; N17-L46 HydrophobicContact CB-CG 3.66Å; V43-L46 PolarHBondContact O-N 2.97Å; L44-L46 VanDerWaalsContact C-N 3.31Å; L44-L46 PolarHBondContact O-N 2.87Å; L46-I48 PolarHBondContact O-N 3.32Å; L46-C49 PolarHBondContact O-N 2.94Å; L46-T50 WeakPolarHBondContact O-CB 3.5Å; L46-T50 PolarHBondContact O-N 2.82Å; L46-T50 PolarHBondContact O-OG1 3.11Å; L46-T50 VanDerWaalsContact O-OG1 3.08Å; L46-N69 HydrophobicContact CD1-CB 4.09Å; L46-V94 HydrophobicContact CD1-CG1 4.02Å; L46-V94 HydrophobicContact CD1-CG2 3.88Å
47S98.9Very high98.9Very high41 Ų4144.2 Ų44.229%0.28723%0.226SC..Hα-helixtrans-64.7-39.5179.2-63.90000112.4V43 L44 R51V43-S47 WeakPolarHBondContact O-CB 3.28Å; V43-S47 PolarHBondContact O-N 3.44Å; V43-S47 PolarHBondContact O-OG 3.1Å; V43-S47 VanDerWaalsContact O-OG 3.06Å; L44-S47 PolarHBondContact O-N 3.26Å; S47-R51 WeakPolarHBondContact O-CB 3.13Å; S47-R51 PolarHBondContact O-N 3.19Å
48I98.9Very high98.9Very high66 Ų6646.3 Ų46.334%0.33823%0.232SC..Hα-helixtrans-62.2-50.3174.5-69165.6000110L44 A45 L46 T50 R51 E52L44-I48 HydrophobicContact CD1-CD1 4.29Å; L44-I48 HydrophobicContact CG-CD1 3.96Å; L44-I48 VanDerWaalsContact O-CG1 3.3Å; L44-I48 WeakPolarHBondContact O-CG1 3.33Å; L44-I48 PolarHBondContact O-N 2.85Å; A45-I48 PolarHBondContact O-N 2.84Å; L46-I48 PolarHBondContact O-N 3.32Å; I48-T50 VanDerWaalsContact C-N 3.33Å; I48-T50 PolarHBondContact O-N 2.86Å; I48-R51 PolarHBondContact O-N 3.4Å; I48-E52 HydrophobicContact CG2-CG 4.23Å; I48-E52 WeakPolarHBondContact O-CG 3.46Å; I48-E52 PolarHBondContact O-N 2.87Å
49C98.9Very high98.8Very high29 Ų2950.8 Ų50.820%0.19625%0.253CS..Hα-helixtrans-64.5-37.4-178.9-68.10000112.3F2 N17 A45 L46 A53F2-C49 HydrophobicContact CE2-CB 4.4Å; F2-C49 HydrophobicContact CZ-CB 4.48Å; N17-C49 WeakPolarHBondContact OD1-CB 3.42Å; A45-C49 WeakPolarHBondContact O-CB 3.46Å; A45-C49 PolarHBondContact O-N 2.82Å; A45-C49 PolarHBondContact O-SG 3.08Å; L46-C49 PolarHBondContact O-N 2.94Å; C49-A53 WeakPolarHBondContact O-CB 3.38Å; C49-A53 PolarHBondContact O-N 2.91Å
50T98.9Very high98.8Very high17 Ų1749.5 Ų49.510%0.10425%0.245CC..Hα-helixtrans-58.3-50.9170.2-70.80000111.5N17 L46 I48 A53 Y54 I67 L101N17-T50 PolarHBondContact ND2-OG1 3.35Å; L46-T50 WeakPolarHBondContact O-CB 3.5Å; L46-T50 PolarHBondContact O-N 2.82Å; L46-T50 PolarHBondContact O-OG1 3.11Å; L46-T50 VanDerWaalsContact O-OG1 3.08Å; I48-T50 VanDerWaalsContact C-N 3.33Å; I48-T50 PolarHBondContact O-N 2.86Å; T50-A53 PolarHBondContact O-N 3.18Å; T50-Y54 WeakPolarHBondContact O-CB 3.49Å; T50-Y54 PolarHBondContact O-N 2.89Å; T50-I67 HydrophobicContact CG2-CD1 4.04Å; T50-I67 HydrophobicContact CG2-CG2 4.41Å; T50-L101 HydrophobicContact CG2-CD1 3.65Å; T50-L101 HydrophobicContact CG2-CD2 3.63Å; T50-L101 HydrophobicContact CG2-CG 4.22Å
51R98.9Very high98.8Very high139 Ų13953 Ų5353%0.52526%0.264SS..Hα-helixtrans-59.3-51179.7-177.6-170.769.2-152.8-0.6111.4S47 I48 A53 Y54 Q55S47-R51 WeakPolarHBondContact O-CB 3.13Å; S47-R51 PolarHBondContact O-N 3.19Å; I48-R51 PolarHBondContact O-N 3.4Å; R51-A53 PolarHBondContact O-N 2.96Å; R51-Y54 PolarHBondContact O-N 3.34Å; R51-Q55 WeakPolarHBondContact O-CG 3.4Å; R51-Q55 PolarHBondContact O-N 3.48Å
52E98.9Very high98.8Very high63 Ų6352 Ų5229%0.29426%0.257SS..Hα-helixtrans-67-36.3-177.9-61.4-51.7127.800112.1F2 I48 Q55 S56F2-E52 HydrophobicContact CB-CB 4.44Å; F2-E52 HydrophobicContact CD1-CB 3.85Å; F2-E52 HydrophobicContact CD2-CB 3.51Å; F2-E52 HydrophobicContact CD2-CG 4.03Å; F2-E52 HydrophobicContact CE1-CB 3.89Å; F2-E52 HydrophobicContact CE2-CB 3.57Å; F2-E52 HydrophobicContact CE2-CG 4.27Å; F2-E52 HydrophobicContact CG-CB 3.66Å; F2-E52 HydrophobicContact CG-CG 4.45Å; F2-E52 HydrophobicContact CZ-CB 3.76Å; I48-E52 HydrophobicContact CG2-CG 4.23Å; I48-E52 WeakPolarHBondContact O-CG 3.46Å; I48-E52 PolarHBondContact O-N 2.87Å; E52-Q55 PolarHBondContact O-N 3.37Å; E52-S56 WeakPolarHBondContact O-CB 3.26Å; E52-S56 PolarHBondContact O-N 3.3Å
53A98.9Very high98.8Very high0 Ų055 Ų550%027%0.274CS..Hα-helixtrans-64.6-45.5174.400000111.7F2 V12 C15 C49 T50 R51 Q55 S56 M57F2-A53 HydrophobicContact CE1-CB 3.99Å; F2-A53 HydrophobicContact CZ-CB 4.19Å; V12-A53 HydrophobicContact CG1-CB 4.23Å; C15-A53 HydrophobicContact CB-CB 3.56Å; C49-A53 WeakPolarHBondContact O-CB 3.38Å; C49-A53 PolarHBondContact O-N 2.91Å; T50-A53 PolarHBondContact O-N 3.18Å; R51-A53 PolarHBondContact O-N 2.96Å; A53-Q55 PolarHBondContact O-N 2.95Å; A53-S56 WeakPolarHBondContact O-CB 3.37Å; A53-S56 PolarHBondContact O-N 3.3Å; A53-M57 HydrophobicContact CB-CE 4.31Å; A53-M57 WeakPolarHBondContact O-CG 3.36Å; A53-M57 PolarHBondContact O-N 3.42Å
54Y98.9Very high98.8Very high49 Ų4960.5 Ų60.519%0.19230%0.303CS..Hα-helixtrans-60.4-44.4174.6169.8-109.1000112.1T50 R51 S56 M57 K58 L105 I112T50-Y54 WeakPolarHBondContact O-CB 3.49Å; T50-Y54 PolarHBondContact O-N 2.89Å; R51-Y54 PolarHBondContact O-N 3.34Å; Y54-S56 VanDerWaalsContact C-N 3.28Å; Y54-S56 PolarHBondContact O-N 3.42Å; Y54-M57 PolarHBondContact O-N 2.86Å; Y54-K58 HydrophobicContact CE1-CD 4.2Å; Y54-K58 VanDerWaalsContact O-CB 3.31Å; Y54-K58 WeakPolarHBondContact O-CB 3.43Å; Y54-K58 PolarHBondContact O-N 2.9Å; Y54-L105 HydrophobicContact CD2-CD2 3.73Å; Y54-L105 HydrophobicContact CE2-CD2 3.94Å; Y54-I112 HydrophobicContact CD2-CD1 4.16Å; Y54-I112 HydrophobicContact CE2-CD1 4.32Å
55Q98.8Very high98.8Very high90 Ų9057.1 Ų57.142%0.42129%0.286SS..Hα-helixtrans-61-38.7175.8-67.8-59.9-24.900111.8R51 E52 A53 K58 E59R51-Q55 WeakPolarHBondContact O-CG 3.4Å; R51-Q55 PolarHBondContact O-N 3.48Å; E52-Q55 PolarHBondContact O-N 3.37Å; A53-Q55 PolarHBondContact O-N 2.95Å; Q55-K58 PolarHBondContact O-N 3.27Å; Q55-E59 WeakPolarHBondContact O-CB 3.29Å; Q55-E59 PolarHBondContact O-N 2.99Å
56S98.8Very high98.8Very high7 Ų756.2 Ų56.25%0.04928%0.275CS..Hα-helixtrans-65-38.4175.2-172.70000112.9G11 V12 E52 A53 Y54 E59 R60G11-S56 VanDerWaalsContact CA-OG 3.28Å; G11-S56 WeakPolarHBondContact CA-OG 3.35Å; V12-S56 PolarHBondContact N-OG 3.2Å; E52-S56 WeakPolarHBondContact O-CB 3.26Å; E52-S56 PolarHBondContact O-N 3.3Å; A53-S56 WeakPolarHBondContact O-CB 3.37Å; A53-S56 PolarHBondContact O-N 3.3Å; Y54-S56 VanDerWaalsContact C-N 3.28Å; Y54-S56 PolarHBondContact O-N 3.42Å; S56-E59 WeakPolarHBondContact O-CG 3.48Å; S56-R60 PolarHBondContact O-NE 3.2Å; S56-R60 PolarHBondContact O-NH2 2.88Å
57M98.8Very high98.8Very high0 Ų055.7 Ų55.70%027%0.272CS..Hα-helixtrans-66.9-47.2174-65.7170.6-161.700110.6V12 D13 A53 Y54 E59 R60 N61 V62 I67 I112V12-M57 VanDerWaalsContact O-CG 3.27Å; V12-M57 WeakPolarHBondContact O-CG 3.47Å; D13-M57 WeakPolarHBondContact O-CE 3.47Å; A53-M57 HydrophobicContact CB-CE 4.31Å; A53-M57 WeakPolarHBondContact O-CG 3.36Å; A53-M57 PolarHBondContact O-N 3.42Å; Y54-M57 PolarHBondContact O-N 2.86Å; M57-E59 PolarHBondContact O-N 3.42Å; M57-R60 CarbonylContact O-C 3.57Å; M57-R60 PolarHBondContact O-N 3.26Å; M57-N61 PolarHBondContact O-N 2.78Å; M57-N61 VanDerWaalsContact O-N 3.14Å; M57-V62 HydrophobicContact CB-CB 4.01Å; M57-V62 HydrophobicContact CB-CG1 4.37Å; M57-V62 HydrophobicContact CG-CB 4.4Å; M57-V62 HydrophobicContact CG-CG1 4.32Å; M57-V62 PolarHBondContact O-N 3.3Å; M57-I67 HydrophobicContact CE-CG1 4.14Å; M57-I112 HydrophobicContact CB-CD1 3.95Å; M57-I112 HydrophobicContact SD-CD1 3.89Å; M57-I112 HydrophobicContact SD-CG1 4.24Å; M57-I112 HydrophobicContact SD-CG2 3.78Å
58K98.7Very high98.8Very high118 Ų11855.4 Ų55.451%0.51327%0.267SS..Hα-helixtrans-59.9-46.9-178.5-174.6-179-179179.20112.5Y54 Q55 R60 N61Y54-K58 HydrophobicContact CE1-CD 4.2Å; Y54-K58 VanDerWaalsContact O-CB 3.31Å; Y54-K58 WeakPolarHBondContact O-CB 3.43Å; Y54-K58 PolarHBondContact O-N 2.9Å; Q55-K58 PolarHBondContact O-N 3.27Å; K58-R60 PolarHBondContact O-N 3.12Å; K58-N61 PolarHBondContact O-N 3.02Å
59E98.4Very high98.8Very high94 Ų9452.3 Ų52.344%0.43925%0.251SS..Hα-helixtrans-65.1-18.7-178.777.3179.7155.400113.1R6 Q55 S56 M57R6-E59 WeakPolarHBondContact CD-OE1 3.39Å; R6-E59 IonicContact CZ-OE2 3.91Å; R6-E59 IonicContact NE-OE1 2.96Å; R6-E59 PolarHBondContact NE-OE1 2.95Å; R6-E59 IonicContact NE-OE2 2.7Å; R6-E59 PolarHBondContact NE-OE2 3.34Å; R6-E59 IonicContact NH2-OE2 3.63Å; Q55-E59 WeakPolarHBondContact O-CB 3.29Å; Q55-E59 PolarHBondContact O-N 2.99Å; S56-E59 WeakPolarHBondContact O-CG 3.48Å; M57-E59 PolarHBondContact O-N 3.42Å
60R98.4Very high98.8Very high67 Ų6752.7 Ų52.725%0.25325%0.251SS..THydrogen-bonded Turntrans-108.36-180-66.1178.2-63.4115.33.2113.6S10 V12 D13 S56 M57 K58 V62S10-R60 WeakPolarHBondContact O-CD 3.28Å; V12-R60 VanDerWaalsContact C-NH2 3.31Å; V12-R60 PolarHBondContact O-NH2 3.05Å; D13-R60 IonicContact OD1-CZ 3.18Å; D13-R60 IonicContact OD1-NH1 3.74Å; D13-R60 PolarHBondContact OD1-NH1 3.18Å; D13-R60 IonicContact OD1-NH2 2.74Å; D13-R60 PolarHBondContact OD1-NH2 2.83Å; D13-R60 IonicContact OD2-NH1 3.39Å; S56-R60 PolarHBondContact O-NE 3.2Å; S56-R60 PolarHBondContact O-NH2 2.88Å; M57-R60 CarbonylContact O-C 3.57Å; M57-R60 PolarHBondContact O-N 3.26Å; K58-R60 PolarHBondContact O-N 3.12Å; R60-V62 HydrophobicContact CB-CG2 4.13Å; R60-V62 PolarHBondContact O-N 3.24Å
61N98.4Very high98.8Very high150 Ų15052.1 Ų52.180%0.80225%0.247SC*.THydrogen-bonded Turntrans57.332.6-176.7-52.498.5000113.8M57 K58M57-N61 PolarHBondContact O-N 2.78Å; M57-N61 VanDerWaalsContact O-N 3.14Å; K58-N61 PolarHBondContact O-N 3.02Å
62V98.8Very high98.7Very high24 Ų2446 Ų4615%0.14523%0.226CC..  trans-77127.1172.3174.40000108.9M57 R60M57-V62 HydrophobicContact CB-CB 4.01Å; M57-V62 HydrophobicContact CB-CG1 4.37Å; M57-V62 HydrophobicContact CG-CB 4.4Å; M57-V62 HydrophobicContact CG-CG1 4.32Å; M57-V62 PolarHBondContact O-N 3.3Å; R60-V62 HydrophobicContact CB-CG2 4.13Å; R60-V62 PolarHBondContact O-N 3.24Å
63D98.6Very high98.7Very high66 Ų6646.2 Ų46.235%0.35323%0.228SC..  trans-116.4-5.6-175.7-167.935.7000113.2T110 H111 I112D63-T110 WeakPolarHBondContact OD1-CA 3.31Å; D63-T110 WeakPolarHBondContact OD1-CB 3.44Å; D63-H111 CarbonylContact O-C 3.59Å; D63-H111 WeakPolarHBondContact O-CA 3.26Å; D63-H111 WeakPolarHBondContact O-CB 3.22Å; D63-H111 PolarHBondContact O-N 3.14Å; D63-H111 PolarHBondContact OD1-N 3.04Å; D63-H111 IonicContact OD1-ND1 3.74Å; D63-H111 IonicContact OD2-CE1 3.64Å; D63-H111 IonicContact OD2-CG 3.7Å; D63-H111 IonicContact OD2-ND1 2.72Å; D63-H111 PolarHBondContact OD2-ND1 3.34Å; D63-I112 PolarHBondContact O-N 3.27Å
64D98.8Very high98.6Very high124 Ų12446.9 Ų46.966%0.66323%0.233SC*.SBendtrans-121.215.7-174.266.2-26.1000113.8
65G98.8Very high98.6Very high4 Ų444.6 Ų44.64%0.04122%0.224CC..  trans-61.8170.5177.800000114.1D13 I112 R113D13-G65 CarbonylContact O-C 3.57Å; D13-G65 WeakPolarHBondContact O-CA 3.38Å; G65-I112 WeakPolarHBondContact O-CA 3.3Å; G65-R113 PolarHBondContact O-N 3.5Å
66H98.9Very high98.6Very high22 Ų2244.5 Ų44.510%0.10222%0.223CC..EExtended strand (participates in β ladder)trans-143.4124.2-179.5-156.1165.4000112.9D13 I14 C15 R113 T115D13-H66 PolarHBondContact O-N 2.84Å; I14-H66 CarbonylContact C-O 3.56Å; I14-H66 VanDerWaalsContact CA-O 3.27Å; I14-H66 WeakPolarHBondContact CA-O 3.4Å; I14-H66 HydrophobicContact CG1-CB 4.46Å; C15-H66 PolarHBondContact N-O 3.18Å; H66-R113 HydrophobicContact CB-CB 4.48Å; H66-R113 VanDerWaalsContact CD2-CB 3.46Å; H66-R113 WeakPolarHBondContact CD2-CB 3.27Å; H66-R113 PolarHBondContact CD2-O 3.44Å; H66-R113 VanDerWaalsContact CD2-O 3.32Å; H66-R113 PolarHBondContact ND1-NE 2.86Å; H66-R113 PolarHBondContact ND1-NH2 3.45Å; H66-R113 VanDerWaalsContact ND1-NH2 3.12Å; H66-T115 WeakPolarHBondContact NE2-CB 3.39Å; H66-T115 PolarHBondContact NE2-OG1 2.91Å
67I98.9Very high98.5Very high0 Ų050.3 Ų50.30%024%0.244CC..EExtended strand (participates in β ladder)trans-105.1120.8171.2-56.2178.7000108.8C15 T50 M57 L101 R113 A114 T115C15-I67 HydrophobicContact CB-CG1 4.24Å; C15-I67 HydrophobicContact CB-CG2 4.39Å; C15-I67 WeakPolarHBondContact O-CA 3.45Å; T50-I67 HydrophobicContact CG2-CD1 4.04Å; T50-I67 HydrophobicContact CG2-CG2 4.41Å; M57-I67 HydrophobicContact CE-CG1 4.14Å; I67-L101 HydrophobicContact CB-CD2 4.06Å; I67-L101 HydrophobicContact CD1-CD2 4.19Å; I67-L101 HydrophobicContact CG2-CD2 3.87Å; I67-R113 PolarHBondContact N-O 2.96Å; I67-A114 WeakPolarHBondContact O-CA 3.37Å; I67-T115 PolarHBondContact O-N 3.35Å
68I98.9Very high98.5Very high35 Ų3554.4 Ų54.418%0.17927%0.269CS..EExtended strand (participates in β ladder)trans-119.1118.5-178.6-57.8168.6000109.3C15 I16 N17 I70 T115 I117C15-I68 PolarHBondContact O-N 3.06Å; I16-I68 CarbonylContact C-O 3.55Å; I16-I68 WeakPolarHBondContact CA-O 3.46Å; I16-I68 HydrophobicContact CD1-CB 3.73Å; I16-I68 HydrophobicContact CD1-CD1 3.6Å; I16-I68 HydrophobicContact CD1-CG1 4.03Å; N17-I68 PolarHBondContact N-O 3.31Å; I68-I70 HydrophobicContact CG2-CD1 4.41Å; I68-T115 CarbonylContact C-O 3.4Å; I68-T115 WeakPolarHBondContact CA-O 3.45Å; I68-I117 HydrophobicContact CG2-CG1 4.03Å
69N98.9Very high98.3Very high1 Ų152.2 Ų52.21%0.00526%0.262CS..EExtended strand (participates in β ladder)trans-97.7123.8177.8-66.6-27.7000110.8N17 L46 N71 V94 T98 T115 C116 I117N17-N69 WeakPolarHBondContact CB-OD1 3.49Å; N17-N69 PolarHBondContact ND2-OD1 2.8Å; L46-N69 HydrophobicContact CD1-CB 4.09Å; N69-N71 PolarHBondContact O-N 3.13Å; N69-N71 VanDerWaalsContact O-N 3.13Å; N69-V94 HydrophobicContact CB-CG1 3.9Å; N69-T98 PolarHBondContact ND2-OG1 2.85Å; N69-T115 PolarHBondContact N-O 3.46Å; N69-C116 HydrophobicContact CB-CB 4.19Å; N69-C116 CarbonylContact O-C 3.59Å; N69-C116 WeakPolarHBondContact O-CA 3.35Å; N69-C116 WeakPolarHBondContact O-CB 3.14Å; N69-I117 PolarHBondContact O-N 2.77Å
70I98.8Very high98.1Very high37 Ų3753.9 Ų53.919%0.1928%0.282CS..EExtended strand (participates in β ladder)trans-81.1100.7172.9-54.5-55.6000108.6I16 N17 N18 I68 K91 I117I16-I70 HydrophobicContact CG2-CD1 4.4Å; I16-I70 HydrophobicContact CG2-CG1 4.31Å; N17-I70 PolarHBondContact O-N 2.75Å; N18-I70 HydrophobicContact CB-CG1 3.78Å; I68-I70 HydrophobicContact CG2-CD1 4.41Å; I70-K91 PolarHBondContact O-NZ 2.9Å; I70-I117 HydrophobicContact CD1-CB 4.22Å; I70-I117 HydrophobicContact CD1-CG1 4.36Å
71N98.6Very high97.9Very high4 Ų454.2 Ų54.22%0.02129%0.288CS..  trans-89.2-149.1175.8-162.6-9.6000109.6N69 K91 V94 T95 C116 I117N69-N71 PolarHBondContact O-N 3.13Å; N69-N71 VanDerWaalsContact O-N 3.13Å; N71-K91 WeakPolarHBondContact OD1-CB 3.16Å; N71-K91 PolarHBondContact OD1-O 2.9Å; N71-K91 VanDerWaalsContact OD1-O 3.11Å; N71-V94 HydrophobicContact CB-CG1 3.95Å; N71-T95 PolarHBondContact ND2-OG1 3.41Å; N71-C116 HydrophobicContact CB-CB 4.05Å; N71-I117 CarbonylContact C-O 2.92Å; N71-I117 VanDerWaalsContact CA-O 3.3Å; N71-I117 WeakPolarHBondContact CA-O 3.47Å; N71-I117 WeakPolarHBondContact CB-O 3.32Å; N71-I117 PolarHBondContact N-O 2.72Å
72S98.3Very high97.8Very high12 Ų1250.2 Ų50.28%0.08427%0.271CS..  trans-160.7158.7179.5175.30000108.9S74 G75 Y87 S118S72-S74 PolarHBondContact O-N 3.3Å; S72-S74 WeakPolarHBondContact OG-CB 3.46Å; S72-S74 PolarHBondContact OG-N 3.33Å; S72-S74 PolarHBondContact OG-OG 3.45Å; S72-G75 PolarHBondContact O-N 2.96Å; S72-Y87 WeakPolarHBondContact CB-OH 3.33Å; S72-Y87 PolarHBondContact OG-OH 3.13Å; S72-S118 PolarHBondContact O-OG 2.71Å
73M97.8Very high97.7Very high66 Ų6650.4 Ų50.433%0.32527%0.273SS..G310 helixtrans-57-26162.5-72-56.3-62.900111.8G75 H76 R77 P119M73-G75 PolarHBondContact O-N 2.9Å; M73-H76 PolarHBondContact O-N 3.07Å; M73-H76 VanDerWaalsContact O-N 3.07Å; M73-R77 WeakPolarHBondContact O-CG 3.48Å; M73-R77 PolarHBondContact O-N 2.9Å; M73-P119 WeakPolarHBondContact CG-O 3.37Å; M73-P119 PolarHBondContact N-O 3Å
74S98Very high97.6Very high15 Ų1547.9 Ų47.911%0.10526%0.26CS..G310 helixtrans-66.3-13.4171.5-62.10000114.2S72 R77 S88 Y92S72-S74 PolarHBondContact O-N 3.3Å; S72-S74 WeakPolarHBondContact OG-CB 3.46Å; S72-S74 PolarHBondContact OG-N 3.33Å; S72-S74 PolarHBondContact OG-OG 3.45Å; S74-R77 CarbonylContact C-O 3.53Å; S74-R77 WeakPolarHBondContact CA-O 3.38Å; S74-S88 WeakPolarHBondContact O-CB 3.49Å; S74-Y92 VanDerWaalsContact O-CD2 3.29Å; S74-Y92 WeakPolarHBondContact O-CD2 3.33Å; S74-Y92 VanDerWaalsContact O-CE2 3.28Å; S74-Y92 WeakPolarHBondContact O-CE2 3.27Å
75G98.5Very high97.6Very high1 Ų144.2 Ų44.21%0.0124%0.239CC..G310 helixtrans-81.4-1.8170.800000114.1S72 M73 K91 T95S72-G75 PolarHBondContact O-N 2.96Å; M73-G75 PolarHBondContact O-N 2.9Å; G75-K91 VanDerWaalsContact CA-C 3.45Å; G75-T95 PolarHBondContact O-OG1 2.82Å
76H98.4Very high97.6Very high87 Ų8746.3 Ų46.340%0.40325%0.246SC..THydrogen-bonded Turntrans-128.5-12-176.8-56.7-59.9000113.4M73 Y92 S118M73-H76 PolarHBondContact O-N 3.07Å; M73-H76 VanDerWaalsContact O-N 3.07Å; H76-Y92 PolarHBondContact O-OH 3.38Å; H76-S118 PolarHBondContact CD2-OG 3.41Å; H76-S118 PolarHBondContact NE2-OG 3.44Å
77R97.8Very high97.6Very high129 Ų12946.3 Ų46.349%0.48725%0.246SC..  trans-154.7150.817557.2179.6-177.9-173.82.4110.5M73 S74 Y92M73-R77 WeakPolarHBondContact O-CG 3.48Å; M73-R77 PolarHBondContact O-N 2.9Å; S74-R77 CarbonylContact C-O 3.53Å; S74-R77 WeakPolarHBondContact CA-O 3.38Å; R77-Y92 VanDerWaalsContact CA-OH 3.26Å; R77-Y92 WeakPolarHBondContact CA-OH 3.28Å; R77-Y92 PolarHBondContact N-OH 3.12Å; R77-Y92 VanDerWaalsContact N-OH 3.16Å
78V98.1Very high97.6Very high86 Ų8646.3 Ų46.352%0.52125%0.246SC..  trans-102.6111.9173.4-174.80000108.5Y92V78-Y92 HydrophobicContact CG2-CE2 4.02Å
79L94.3Very high97.6Very high72 Ų7247.4 Ų47.438%0.37726%0.26SS..  trans-73.5148.5173.7-63.8175.2000109.9L81 H85L79-L81 PolarHBondContact O-N 3.01Å; L79-H85 PolarHBondContact O-CD2 3.2Å; L79-H85 PolarHBondContact O-NE2 2.84Å; L79-H85 VanDerWaalsContact O-NE2 3.16Å
80P95.2Very high97.6Very high130 Ų13047.6 Ų47.684%0.84426%0.261SS*.SBendtrans-74.557.6175.533.3-36.5000111.4
81L93.1Very high97.6Very high74 Ų7446.2 Ų46.239%0.38725%0.254SS..  trans-12990.5179.5179.462.4000108.4L79 V83 T84 H85L79-L81 PolarHBondContact O-N 3.01Å; L81-V83 HydrophobicContact CD1-CG2 3.87Å; L81-V83 HydrophobicContact CD2-CG2 4.43Å; L81-V83 HydrophobicContact CG-CG2 3.85Å; L81-V83 PolarHBondContact O-N 3.47Å; L81-T84 HydrophobicContact CD2-CG2 3.82Å; L81-T84 HydrophobicContact CG-CG2 4.23Å; L81-T84 PolarHBondContact O-N 3.37Å; L81-T84 PolarHBondContact O-OG1 2.93Å; L81-H85 PolarHBondContact O-CD2 2.92Å
82S96.8Very high97.6Very high65 Ų6550.8 Ų50.846%0.45527%0.271SS..G310 helixtrans-53.4-34.9-166.5-54.30000115T84 H85S82-T84 PolarHBondContact O-N 3.27Å; S82-H85 PolarHBondContact O-N 3.41Å
83V95.9Very high97.6Very high29 Ų2951.7 Ų51.718%0.17628%0.28CS..G310 helixtrans-67.3-11.4178.6-65.50000113.8P24 T26 L81P24-V83 HydrophobicContact CB-CB 4.22Å; P24-V83 HydrophobicContact CB-CG1 4.18Å; T26-V83 HydrophobicContact CG2-CG1 4.11Å; L81-V83 HydrophobicContact CD1-CG2 3.87Å; L81-V83 HydrophobicContact CD2-CG2 4.43Å; L81-V83 HydrophobicContact CG-CG2 3.85Å; L81-V83 PolarHBondContact O-N 3.47Å
84T97.3Very high97.7Very high12 Ų1248.6 Ų48.67%0.07426%0.264CS..G310 helixtrans-113.1-0.4177.561.30000113.8L81 S82 F86 Y87 S88 L130L81-T84 HydrophobicContact CD2-CG2 3.82Å; L81-T84 HydrophobicContact CG-CG2 4.23Å; L81-T84 PolarHBondContact O-N 3.37Å; L81-T84 PolarHBondContact O-OG1 2.93Å; S82-T84 PolarHBondContact O-N 3.27Å; T84-F86 PolarHBondContact O-N 2.9Å; T84-Y87 CarbonylContact O-C 3.59Å; T84-Y87 WeakPolarHBondContact O-CA 3.09Å; T84-Y87 WeakPolarHBondContact O-CB 3.39Å; T84-Y87 PolarHBondContact O-N 3.27Å; T84-Y87 VanDerWaalsContact O-N 3.13Å; T84-S88 PolarHBondContact O-N 3Å; T84-S88 PolarHBondContact O-OG 2.91Å; T84-L130 HydrophobicContact CG2-CD2 3.89Å
85H98.7Very high97.7Very high48 Ų4849.8 Ų49.822%0.22227%0.271CS..Hα-helixtrans-60.3-44.1-175.4-71.9175.9000112.8L27 L79 L81 S82 S88 A89L27-H85 HydrophobicContact CD1-CB 3.85Å; L27-H85 HydrophobicContact CD2-CB 4.4Å; L27-H85 HydrophobicContact CG-CB 3.83Å; L79-H85 PolarHBondContact O-CD2 3.2Å; L79-H85 PolarHBondContact O-NE2 2.84Å; L79-H85 VanDerWaalsContact O-NE2 3.16Å; L81-H85 PolarHBondContact O-CD2 2.92Å; S82-H85 PolarHBondContact O-N 3.41Å; H85-S88 WeakPolarHBondContact O-CB 3.39Å; H85-S88 PolarHBondContact O-N 3.5Å; H85-A89 PolarHBondContact O-N 3.5Å; H85-A89 VanDerWaalsContact O-N 3.1Å
86F98.7Very high97.8Very high47 Ų4753 Ų5321%0.20630%0.297CS..Hα-helixtrans-67.6-38.2176-163.3-82.3000111.7L27 W35 M38 T84 S88 A89 T90L27-F86 HydrophobicContact CD2-CB 4.01Å; L27-F86 HydrophobicContact CD2-CD2 3.97Å; W35-F86 HydrophobicContact CB-CD1 4.14Å; W35-F86 HydrophobicContact CB-CD2 4.14Å; W35-F86 HydrophobicContact CB-CE1 3.72Å; W35-F86 HydrophobicContact CB-CE2 3.73Å; W35-F86 HydrophobicContact CB-CG 4.33Å; W35-F86 HydrophobicContact CB-CZ 3.51Å; W35-F86 AromaticContact CD1-CD1 3.99Å; W35-F86 AromaticContact CD1-CD2 3.6Å; W35-F86 AromaticContact CD1-CG 3.55Å; W35-F86 AromaticContact CD2-CD2 3.9Å; W35-F86 HydrophobicContact CD2-CD2 3.9Å; W35-F86 AromaticContact CD2-CE2 3.9Å; W35-F86 HydrophobicContact CD2-CE2 3.9Å; W35-F86 HydrophobicContact CE3-CE2 4.31Å; W35-F86 HydrophobicContact CG-CD1 4.19Å; W35-F86 AromaticContact CG-CD2 3.61Å; W35-F86 HydrophobicContact CG-CD2 3.61Å; W35-F86 HydrophobicContact CG-CE1 4.2Å; W35-F86 AromaticContact CG-CE2 3.62Å; W35-F86 HydrophobicContact CG-CE2 3.62Å; W35-F86 AromaticContact CG-CG 3.91Å; W35-F86 HydrophobicContact CG-CG 3.91Å; W35-F86 AromaticContact CG-CZ 3.93Å; W35-F86 HydrophobicContact CG-CZ 3.93Å; W35-F86 AromaticContact NE1-CD2 3.88Å; W35-F86 VanDerWaalsContact O-CE1 3.3Å; W35-F86 WeakPolarHBondContact O-CE1 3.21Å; M38-F86 HydrophobicContact CB-CD1 4.24Å; M38-F86 HydrophobicContact CB-CE1 4.39Å; M38-F86 HydrophobicContact CE-CB 3.86Å; M38-F86 HydrophobicContact CE-CD1 3.6Å; M38-F86 HydrophobicContact CE-CG 4.03Å; M38-F86 HydrophobicContact SD-CD1 4.24Å; T84-F86 PolarHBondContact O-N 2.9Å; F86-S88 VanDerWaalsContact C-N 3.35Å; F86-S88 PolarHBondContact O-N 3.44Å; F86-A89 WeakPolarHBondContact O-CB 3.19Å; F86-A89 PolarHBondContact O-N 3.26Å; F86-T90 HydrophobicContact CD1-CG2 4.05Å; F86-T90 HydrophobicContact CE1-CG2 3.96Å; F86-T90 WeakPolarHBondContact O-CG2 3.47Å; F86-T90 PolarHBondContact O-N 3.09Å
87Y98.7Very high97.8Very high23 Ų2352.2 Ų52.29%0.0930%0.296CS..Hα-helixtrans-57.2-46.1171.6164.6-95000111.9L21 A22 S72 T84 A89 T90 K91 F126L21-Y87 WeakPolarHBondContact O-CD2 3.41Å; A22-Y87 HydrophobicContact CB-CD2 3.83Å; A22-Y87 HydrophobicContact CB-CG 3.95Å; S72-Y87 WeakPolarHBondContact CB-OH 3.33Å; S72-Y87 PolarHBondContact OG-OH 3.13Å; T84-Y87 CarbonylContact O-C 3.59Å; T84-Y87 WeakPolarHBondContact O-CA 3.09Å; T84-Y87 WeakPolarHBondContact O-CB 3.39Å; T84-Y87 PolarHBondContact O-N 3.27Å; T84-Y87 VanDerWaalsContact O-N 3.13Å; Y87-A89 VanDerWaalsContact C-N 3.3Å; Y87-A89 PolarHBondContact O-N 2.95Å; Y87-T90 WeakPolarHBondContact O-CB 3.42Å; Y87-T90 PolarHBondContact O-N 3.16Å; Y87-T90 PolarHBondContact O-OG1 2.85Å; Y87-K91 HydrophobicContact CD2-CG 4.41Å; Y87-K91 HydrophobicContact CE1-CG 3.99Å; Y87-K91 HydrophobicContact CE2-CD 4.34Å; Y87-K91 HydrophobicContact CE2-CG 3.87Å; Y87-K91 PolarHBondContact O-N 3.31Å; Y87-K91 WeakPolarHBondContact OH-CE 3.26Å; Y87-F126 HydrophobicContact CD2-CZ 4.08Å; Y87-F126 HydrophobicContact CE2-CE2 4.16Å; Y87-F126 AromaticContact CE2-CZ 3.55Å; Y87-F126 HydrophobicContact CE2-CZ 3.55Å; Y87-F126 AromaticContact CZ-CZ 3.9Å
88S98.8Very high97.8Very high0 Ų046.5 Ų46.50%028%0.275CS..Hα-helixtrans-56.9-44.9175.5-59.90000110.7S74 T84 H85 F86 T90 K91 Y92S74-S88 WeakPolarHBondContact O-CB 3.49Å; T84-S88 PolarHBondContact O-N 3Å; T84-S88 PolarHBondContact O-OG 2.91Å; H85-S88 WeakPolarHBondContact O-CB 3.39Å; H85-S88 PolarHBondContact O-N 3.5Å; F86-S88 VanDerWaalsContact C-N 3.35Å; F86-S88 PolarHBondContact O-N 3.44Å; S88-T90 VanDerWaalsContact C-N 3.31Å; S88-T90 PolarHBondContact O-N 3.46Å; S88-K91 CarbonylContact O-C 3.58Å; S88-K91 PolarHBondContact O-N 2.84Å; S88-Y92 WeakPolarHBondContact O-CD2 3.49Å; S88-Y92 PolarHBondContact O-N 3.45Å
89A98.9Very high97.9Very high57 Ų5746.3 Ų46.347%0.47127%0.269SS..Hα-helixtrans-57.2-42.1174.700000112.5H85 F86 Y87 K91 Y92 A93H85-A89 PolarHBondContact O-N 3.5Å; H85-A89 VanDerWaalsContact O-N 3.1Å; F86-A89 WeakPolarHBondContact O-CB 3.19Å; F86-A89 PolarHBondContact O-N 3.26Å; Y87-A89 VanDerWaalsContact C-N 3.3Å; Y87-A89 PolarHBondContact O-N 2.95Å; A89-K91 VanDerWaalsContact C-N 3.29Å; A89-K91 PolarHBondContact O-N 2.78Å; A89-Y92 PolarHBondContact O-N 3.43Å; A89-A93 PolarHBondContact O-N 2.88Å
90T98.9Very high98.1Very high5 Ų544 Ų443%0.03126%0.262CS..Hα-helixtrans-62.3-36.2174.771.60000112.6M38 N42 V43 F86 Y87 S88 A93 V94M38-T90 HydrophobicContact CB-CG2 4.13Å; N42-T90 HydrophobicContact CB-CG2 4.49Å; N42-T90 PolarHBondContact ND2-OG1 3.47Å; V43-T90 HydrophobicContact CG2-CG2 4.3Å; F86-T90 HydrophobicContact CD1-CG2 4.05Å; F86-T90 HydrophobicContact CE1-CG2 3.96Å; F86-T90 WeakPolarHBondContact O-CG2 3.47Å; F86-T90 PolarHBondContact O-N 3.09Å; Y87-T90 WeakPolarHBondContact O-CB 3.42Å; Y87-T90 PolarHBondContact O-N 3.16Å; Y87-T90 PolarHBondContact O-OG1 2.85Å; S88-T90 VanDerWaalsContact C-N 3.31Å; S88-T90 PolarHBondContact O-N 3.46Å; T90-A93 WeakPolarHBondContact O-CB 3.49Å; T90-A93 PolarHBondContact O-N 3.33Å; T90-V94 WeakPolarHBondContact O-CG2 3.3Å; T90-V94 PolarHBondContact O-N 3.03Å; T90-V94 VanDerWaalsContact O-N 3.14Å
91K98.8Very high98.3Very high9 Ų938.5 Ų38.54%0.03923%0.225CC..Hα-helixtrans-76.7-30.4178.6-68.9-59.7-174.1-175.20113I70 N71 G75 Y87 S88 A89 A93 V94 T95I70-K91 PolarHBondContact O-NZ 2.9Å; N71-K91 WeakPolarHBondContact OD1-CB 3.16Å; N71-K91 PolarHBondContact OD1-O 2.9Å; N71-K91 VanDerWaalsContact OD1-O 3.11Å; G75-K91 VanDerWaalsContact CA-C 3.45Å; Y87-K91 HydrophobicContact CD2-CG 4.41Å; Y87-K91 HydrophobicContact CE1-CG 3.99Å; Y87-K91 HydrophobicContact CE2-CD 4.34Å; Y87-K91 HydrophobicContact CE2-CG 3.87Å; Y87-K91 PolarHBondContact O-N 3.31Å; Y87-K91 WeakPolarHBondContact OH-CE 3.26Å; S88-K91 CarbonylContact O-C 3.58Å; S88-K91 PolarHBondContact O-N 2.84Å; A89-K91 VanDerWaalsContact C-N 3.29Å; A89-K91 PolarHBondContact O-N 2.78Å; K91-A93 VanDerWaalsContact C-N 3.32Å; K91-V94 HydrophobicContact CD-CG2 4.39Å; K91-V94 WeakPolarHBondContact O-CB 3.27Å; K91-V94 PolarHBondContact O-N 3.21Å; K91-T95 PolarHBondContact O-N 3.23Å; K91-T95 PolarHBondContact O-OG1 3.42Å
92Y98.9Very high98.6Very high100 Ų10039.3 Ų39.339%0.39222%0.223SC..Hα-helixtrans-62.2-40166.9-92.9-102.4000111.7S74 H76 R77 V78 S88 A89 V94 T95 A96S74-Y92 VanDerWaalsContact O-CD2 3.29Å; S74-Y92 WeakPolarHBondContact O-CD2 3.33Å; S74-Y92 VanDerWaalsContact O-CE2 3.28Å; S74-Y92 WeakPolarHBondContact O-CE2 3.27Å; H76-Y92 PolarHBondContact O-OH 3.38Å; R77-Y92 VanDerWaalsContact CA-OH 3.26Å; R77-Y92 WeakPolarHBondContact CA-OH 3.28Å; R77-Y92 PolarHBondContact N-OH 3.12Å; R77-Y92 VanDerWaalsContact N-OH 3.16Å; V78-Y92 HydrophobicContact CG2-CE2 4.02Å; S88-Y92 WeakPolarHBondContact O-CD2 3.49Å; S88-Y92 PolarHBondContact O-N 3.45Å; A89-Y92 PolarHBondContact O-N 3.43Å; Y92-V94 VanDerWaalsContact C-N 3.31Å; Y92-V94 PolarHBondContact O-N 3.27Å; Y92-T95 WeakPolarHBondContact O-CB 3.35Å; Y92-T95 PolarHBondContact O-N 2.94Å; Y92-A96 PolarHBondContact O-N 3.5Å
93A98.9Very high98.7Very high31 Ų3140.2 Ų40.226%0.25622%0.221SC..Hα-helixtrans-60.7-41.6172.600000111.3V43 A89 T90 K91 T95 A96 L97V43-A93 HydrophobicContact CG1-CB 4.31Å; V43-A93 HydrophobicContact CG2-CB 4.1Å; A89-A93 PolarHBondContact O-N 2.88Å; T90-A93 WeakPolarHBondContact O-CB 3.49Å; T90-A93 PolarHBondContact O-N 3.33Å; K91-A93 VanDerWaalsContact C-N 3.32Å; A93-T95 VanDerWaalsContact C-N 3.32Å; A93-T95 PolarHBondContact O-N 3.23Å; A93-A96 PolarHBondContact O-N 3.22Å; A93-L97 VanDerWaalsContact O-CB 3.27Å; A93-L97 WeakPolarHBondContact O-CB 3.4Å; A93-L97 WeakPolarHBondContact O-CD1 3.36Å; A93-L97 WeakPolarHBondContact O-CG 3.38Å; A93-L97 PolarHBondContact O-N 3.06Å
94V98.9Very high98.8Very high0 Ų045 Ų450%024%0.241CC..Hα-helixtrans-60.6-39.9174.3178.10000112.1N42 L46 N69 N71 T90 K91 Y92 T98N42-V94 WeakPolarHBondContact O-CG2 3.38Å; L46-V94 HydrophobicContact CD1-CG1 4.02Å; L46-V94 HydrophobicContact CD1-CG2 3.88Å; N69-V94 HydrophobicContact CB-CG1 3.9Å; N71-V94 HydrophobicContact CB-CG1 3.95Å; T90-V94 WeakPolarHBondContact O-CG2 3.3Å; T90-V94 PolarHBondContact O-N 3.03Å; T90-V94 VanDerWaalsContact O-N 3.14Å; K91-V94 HydrophobicContact CD-CG2 4.39Å; K91-V94 WeakPolarHBondContact O-CB 3.27Å; K91-V94 PolarHBondContact O-N 3.21Å; Y92-V94 VanDerWaalsContact C-N 3.31Å; Y92-V94 PolarHBondContact O-N 3.27Å; V94-T98 WeakPolarHBondContact O-CB 3.45Å; V94-T98 PolarHBondContact O-N 3.19Å; V94-T98 PolarHBondContact O-OG1 3.11Å
95T98.9Very high98.9Very high40 Ų4044.8 Ų44.825%0.24524%0.239CC..Hα-helixtrans-57-53.5174.1-56.80000110.8N71 G75 K91 Y92 A93 T98 E99N71-T95 PolarHBondContact ND2-OG1 3.41Å; G75-T95 PolarHBondContact O-OG1 2.82Å; K91-T95 PolarHBondContact O-N 3.23Å; K91-T95 PolarHBondContact O-OG1 3.42Å; Y92-T95 WeakPolarHBondContact O-CB 3.35Å; Y92-T95 PolarHBondContact O-N 2.94Å; A93-T95 VanDerWaalsContact C-N 3.32Å; A93-T95 PolarHBondContact O-N 3.23Å; T95-T98 PolarHBondContact O-N 2.99Å; T95-E99 PolarHBondContact O-N 2.92Å
96A98.9Very high98.9Very high69 Ų6949.4 Ų49.457%0.5726%0.255SS*.Hα-helixtrans-64.5-44.2-17900000112.4Y92 A93 T98 E99 G100Y92-A96 PolarHBondContact O-N 3.5Å; A93-A96 PolarHBondContact O-N 3.22Å; A96-T98 VanDerWaalsContact C-N 3.34Å; A96-T98 PolarHBondContact O-N 3.42Å; A96-E99 PolarHBondContact O-N 3.19Å; A96-G100 PolarHBondContact O-N 2.82Å
97L98.9Very high98.9Very high70 Ų7054.8 Ų54.837%0.36628%0.281SS..Hα-helixtrans-64.8-36.1-179.8-73.3167.9000112.5V43 A93 G100 L101V43-L97 HydrophobicContact CG1-CD1 3.74Å; A93-L97 VanDerWaalsContact O-CB 3.27Å; A93-L97 WeakPolarHBondContact O-CB 3.4Å; A93-L97 WeakPolarHBondContact O-CD1 3.36Å; A93-L97 WeakPolarHBondContact O-CG 3.38Å; A93-L97 PolarHBondContact O-N 3.06Å; L97-G100 PolarHBondContact O-N 2.86Å; L97-L101 WeakPolarHBondContact O-CB 3.49Å; L97-L101 PolarHBondContact O-N 2.99Å
98T98.9Very high98.9Very high9 Ų955.8 Ų55.86%0.05529%0.293CS..Hα-helixtrans-68.4-40.2177.8-52.70000111.2N69 V94 T95 A96 L101 R102 C116N69-T98 PolarHBondContact ND2-OG1 2.85Å; V94-T98 WeakPolarHBondContact O-CB 3.45Å; V94-T98 PolarHBondContact O-N 3.19Å; V94-T98 PolarHBondContact O-OG1 3.11Å; T95-T98 PolarHBondContact O-N 2.99Å; A96-T98 VanDerWaalsContact C-N 3.34Å; A96-T98 PolarHBondContact O-N 3.42Å; T98-L101 PolarHBondContact O-N 3.32Å; T98-R102 PolarHBondContact O-N 2.79Å; T98-R102 VanDerWaalsContact O-N 3.07Å; T98-C116 HydrophobicContact CG2-CB 3.91Å
99E98.9Very high98.9Very high82 Ų8264 Ų6438%0.38333%0.332SS..Hα-helixtrans-67.3-41.2174.817451.7-15500111.6T95 A96 R102 Q103T95-E99 PolarHBondContact O-N 2.92Å; A96-E99 PolarHBondContact O-N 3.19Å; E99-R102 WeakPolarHBondContact O-CB 3.45Å; E99-R102 PolarHBondContact O-N 2.69Å; E99-R102 IonicContact OE1-CZ 3.44Å; E99-R102 IonicContact OE1-NE 3.38Å; E99-R102 PolarHBondContact OE1-NE 3.28Å; E99-R102 IonicContact OE1-NH2 2.69Å; E99-R102 PolarHBondContact OE1-NH2 3.45Å; E99-R102 IonicContact OE2-CZ 3.72Å; E99-R102 IonicContact OE2-NE 2.87Å; E99-R102 PolarHBondContact OE2-NE 2.87Å; E99-R102 IonicContact OE2-NH2 3.69Å; E99-Q103 WeakPolarHBondContact O-CG 3.37Å; E99-Q103 PolarHBondContact O-N 3.07Å; E99-Q103 PolarHBondContact OE1-NE2 3.29Å
100G98.9Very high98.9Very high23 Ų2362.8 Ų62.824%0.23732%0.319CS..Hα-helixtrans-57.9-47.7172.200000112.3A96 L97 R102 Q103 E104A96-G100 PolarHBondContact O-N 2.82Å; L97-G100 PolarHBondContact O-N 2.86Å; G100-R102 VanDerWaalsContact C-N 3.32Å; G100-R102 PolarHBondContact O-N 3.38Å; G100-Q103 WeakPolarHBondContact O-CA 3.49Å; G100-Q103 WeakPolarHBondContact O-CB 3.36Å; G100-Q103 PolarHBondContact O-N 3.32Å; G100-E104 PolarHBondContact O-N 2.99Å
101L98.9Very high98.9Very high15 Ų1569.2 Ų69.28%0.07935%0.348CS..Hα-helixtrans-56.7-44.4176.5176.863.7000112T50 I67 L97 T98 Q103 E104 L105 A114T50-L101 HydrophobicContact CG2-CD1 3.65Å; T50-L101 HydrophobicContact CG2-CD2 3.63Å; T50-L101 HydrophobicContact CG2-CG 4.22Å; I67-L101 HydrophobicContact CB-CD2 4.06Å; I67-L101 HydrophobicContact CD1-CD2 4.19Å; I67-L101 HydrophobicContact CG2-CD2 3.87Å; L97-L101 WeakPolarHBondContact O-CB 3.49Å; L97-L101 PolarHBondContact O-N 2.99Å; T98-L101 PolarHBondContact O-N 3.32Å; L101-Q103 PolarHBondContact O-N 3.29Å; L101-E104 PolarHBondContact O-N 2.79Å; L101-L105 HydrophobicContact CD1-CD1 4.09Å; L101-L105 HydrophobicContact CD1-CD2 4.41Å; L101-L105 HydrophobicContact CD1-CG 4.01Å; L101-L105 HydrophobicContact CG-CD1 3.94Å; L101-L105 HydrophobicContact CG-CG 4.3Å; L101-L105 WeakPolarHBondContact O-CB 3.4Å; L101-L105 VanDerWaalsContact O-CG 3.26Å; L101-L105 WeakPolarHBondContact O-CG 3.5Å; L101-L105 PolarHBondContact O-N 3.03Å; L101-A114 HydrophobicContact CB-CB 4.39Å; L101-A114 HydrophobicContact CD2-CB 3.78Å; L101-A114 HydrophobicContact CG-CB 3.89Å
102R98.9Very high98.9Very high91 Ų9169.3 Ų69.334%0.34335%0.349SS..Hα-helixtrans-59.2-35.6176.7-170.2-15962.571.5-3.1111.9T98 E99 G100 R106 A114T98-R102 PolarHBondContact O-N 2.79Å; T98-R102 VanDerWaalsContact O-N 3.07Å; E99-R102 WeakPolarHBondContact O-CB 3.45Å; E99-R102 PolarHBondContact O-N 2.69Å; E99-R102 IonicContact OE1-CZ 3.44Å; E99-R102 IonicContact OE1-NE 3.38Å; E99-R102 PolarHBondContact OE1-NE 3.28Å; E99-R102 IonicContact OE1-NH2 2.69Å; E99-R102 PolarHBondContact OE1-NH2 3.45Å; E99-R102 IonicContact OE2-CZ 3.72Å; E99-R102 IonicContact OE2-NE 2.87Å; E99-R102 PolarHBondContact OE2-NE 2.87Å; E99-R102 IonicContact OE2-NH2 3.69Å; G100-R102 VanDerWaalsContact C-N 3.32Å; G100-R102 PolarHBondContact O-N 3.38Å; R102-R106 PolarHBondContact O-N 3.19Å; R102-A114 HydrophobicContact CB-CB 4.18Å
103Q98.9Very high98.9Very high85 Ų8571.4 Ų71.440%0.39736%0.356SS..Hα-helixtrans-72.8-44.4177.2-62.1172.418.400111.7E99 G100 L101 L105 R106 E107E99-Q103 WeakPolarHBondContact O-CG 3.37Å; E99-Q103 PolarHBondContact O-N 3.07Å; E99-Q103 PolarHBondContact OE1-NE2 3.29Å; G100-Q103 WeakPolarHBondContact O-CA 3.49Å; G100-Q103 WeakPolarHBondContact O-CB 3.36Å; G100-Q103 PolarHBondContact O-N 3.32Å; L101-Q103 PolarHBondContact O-N 3.29Å; Q103-L105 PolarHBondContact O-N 3.38Å; Q103-R106 PolarHBondContact O-N 3.01Å; Q103-E107 PolarHBondContact O-N 3.14Å
104E98.9Very high98.9Very high129 Ų12970.8 Ų70.860%0.60335%0.351SS*.Hα-helixtrans-61.5-41.9176.9-70.4-178.5-146.500112G100 L101 R106 E107 A108G100-E104 PolarHBondContact O-N 2.99Å; L101-E104 PolarHBondContact O-N 2.79Å; E104-R106 VanDerWaalsContact C-N 3.31Å; E104-R106 PolarHBondContact O-N 2.65Å; E104-E107 PolarHBondContact O-N 3.35Å; E104-A108 WeakPolarHBondContact O-CB 3.46Å; E104-A108 PolarHBondContact O-N 3.13Å
105L98.9Very high98.9Very high7 Ų773.3 Ų73.34%0.03737%0.366CS..Hα-helixtrans-63.9-36.4177.5-69.3173000112.5Y54 L101 Q103 Q109 T110 I112 A114Y54-L105 HydrophobicContact CD2-CD2 3.73Å; Y54-L105 HydrophobicContact CE2-CD2 3.94Å; L101-L105 HydrophobicContact CD1-CD1 4.09Å; L101-L105 HydrophobicContact CD1-CD2 4.41Å; L101-L105 HydrophobicContact CD1-CG 4.01Å; L101-L105 HydrophobicContact CG-CD1 3.94Å; L101-L105 HydrophobicContact CG-CG 4.3Å; L101-L105 WeakPolarHBondContact O-CB 3.4Å; L101-L105 VanDerWaalsContact O-CG 3.26Å; L101-L105 WeakPolarHBondContact O-CG 3.5Å; L101-L105 PolarHBondContact O-N 3.03Å; Q103-L105 PolarHBondContact O-N 3.38Å; L105-Q109 PolarHBondContact O-N 3.05Å; L105-T110 PolarHBondContact O-N 3.38Å; L105-T110 VanDerWaalsContact O-N 3.11Å; L105-T110 PolarHBondContact O-OG1 2.82Å; L105-I112 HydrophobicContact CD1-CB 4.34Å; L105-I112 HydrophobicContact CD1-CG2 3.95Å; L105-I112 WeakPolarHBondContact CD1-O 3.18Å; L105-I112 HydrophobicContact CD2-CB 4.05Å; L105-I112 HydrophobicContact CD2-CD1 4.5Å; L105-I112 HydrophobicContact CD2-CG2 3.97Å; L105-A114 HydrophobicContact CD1-CB 3.96Å
106R98.8Very high98.8Very high146 Ų14673.4 Ų73.455%0.55137%0.368SS*.Hα-helixtrans-70.7-42.2174.1-180-173.460.9-145.8-9.2111.6R102 Q103 E104 A108 Q109R102-R106 PolarHBondContact O-N 3.19Å; Q103-R106 PolarHBondContact O-N 3.01Å; E104-R106 VanDerWaalsContact C-N 3.31Å; E104-R106 PolarHBondContact O-N 2.65Å; R106-A108 VanDerWaalsContact C-N 3.26Å; R106-A108 PolarHBondContact O-N 3.35Å; R106-Q109 WeakPolarHBondContact O-CA 3.49Å; R106-Q109 PolarHBondContact O-N 3.33Å
107E98.8Very high98.8Very high160 Ų16074.1 Ų74.175%0.74836%0.362SS*.Hα-helixtrans-60.4-38.8175.3-179.7177-15400111.3Q103 E104 Q109Q103-E107 PolarHBondContact O-N 3.14Å; E104-E107 PolarHBondContact O-N 3.35Å; E107-Q109 PolarHBondContact O-N 3.04Å; E107-Q109 VanDerWaalsContact O-N 3.13Å
108A98.7Very high98.7Very high43 Ų4372.3 Ų72.336%0.35536%0.355SS..THydrogen-bonded Turntrans-70.92.8173.300000114.4E104 R106 T110E104-A108 WeakPolarHBondContact O-CB 3.46Å; E104-A108 PolarHBondContact O-N 3.13Å; R106-A108 VanDerWaalsContact C-N 3.26Å; R106-A108 PolarHBondContact O-N 3.35Å; A108-T110 VanDerWaalsContact C-N 3.29Å; A108-T110 HydrophobicContact CB-CG2 4.04Å; A108-T110 PolarHBondContact O-N 3.45Å
109Q98.6Very high98.6Very high173 Ų17373.5 Ų73.581%0.80836%0.363SS*.THydrogen-bonded Turntrans56.637.8-179.8-57.7-176.9-17.200113.8L105 R106 E107L105-Q109 PolarHBondContact O-N 3.05Å; R106-Q109 WeakPolarHBondContact O-CA 3.49Å; R106-Q109 PolarHBondContact O-N 3.33Å; E107-Q109 PolarHBondContact O-N 3.04Å; E107-Q109 VanDerWaalsContact O-N 3.13Å
110T98.8Very high98.2Very high32 Ų3271.9 Ų71.920%0.19637%0.368CS..  trans-103.9158.6178.171.10000112.1D63 L105 A108 I112D63-T110 WeakPolarHBondContact OD1-CA 3.31Å; D63-T110 WeakPolarHBondContact OD1-CB 3.44Å; L105-T110 PolarHBondContact O-N 3.38Å; L105-T110 VanDerWaalsContact O-N 3.11Å; L105-T110 PolarHBondContact O-OG1 2.82Å; A108-T110 VanDerWaalsContact C-N 3.29Å; A108-T110 HydrophobicContact CB-CG2 4.04Å; A108-T110 PolarHBondContact O-N 3.45Å; T110-I112 HydrophobicContact CG2-CD1 4.24Å
111H98.8Very high97.7Very high139 Ų13973 Ų7364%0.64437%0.371SS*.  trans-9710.8166.8-54.591.2000112.6D63 R113D63-H111 CarbonylContact O-C 3.59Å; D63-H111 WeakPolarHBondContact O-CA 3.26Å; D63-H111 WeakPolarHBondContact O-CB 3.22Å; D63-H111 PolarHBondContact O-N 3.14Å; D63-H111 PolarHBondContact OD1-N 3.04Å; D63-H111 IonicContact OD1-ND1 3.74Å; D63-H111 IonicContact OD2-CE1 3.64Å; D63-H111 IonicContact OD2-CG 3.7Å; D63-H111 IonicContact OD2-ND1 2.72Å; D63-H111 PolarHBondContact OD2-ND1 3.34Å; H111-R113 PolarHBondContact O-N 3.05Å
112I98.9Very high97.2Very high12 Ų1274.4 Ų74.46%0.06238%0.38CS..  trans-62134.2173.7-61.1168.4000108.3Y54 M57 D63 G65 L105 T110Y54-I112 HydrophobicContact CD2-CD1 4.16Å; Y54-I112 HydrophobicContact CE2-CD1 4.32Å; M57-I112 HydrophobicContact CB-CD1 3.95Å; M57-I112 HydrophobicContact SD-CD1 3.89Å; M57-I112 HydrophobicContact SD-CG1 4.24Å; M57-I112 HydrophobicContact SD-CG2 3.78Å; D63-I112 PolarHBondContact O-N 3.27Å; G65-I112 WeakPolarHBondContact O-CA 3.3Å; L105-I112 HydrophobicContact CD1-CB 4.34Å; L105-I112 HydrophobicContact CD1-CG2 3.95Å; L105-I112 WeakPolarHBondContact CD1-O 3.18Å; L105-I112 HydrophobicContact CD2-CB 4.05Å; L105-I112 HydrophobicContact CD2-CD1 4.5Å; L105-I112 HydrophobicContact CD2-CG2 3.97Å; T110-I112 HydrophobicContact CG2-CD1 4.24Å
113R98.9Very high96.8Very high143 Ų14374.1 Ų74.154%0.5438%0.382SS..EExtended strand (participates in β ladder)trans-98.6147-173.7-61177.5-65.3168-2.3111.5G65 H66 I67 H111G65-R113 PolarHBondContact O-N 3.5Å; H66-R113 HydrophobicContact CB-CB 4.48Å; H66-R113 VanDerWaalsContact CD2-CB 3.46Å; H66-R113 WeakPolarHBondContact CD2-CB 3.27Å; H66-R113 PolarHBondContact CD2-O 3.44Å; H66-R113 VanDerWaalsContact CD2-O 3.32Å; H66-R113 PolarHBondContact ND1-NE 2.86Å; H66-R113 PolarHBondContact ND1-NH2 3.45Å; H66-R113 VanDerWaalsContact ND1-NH2 3.12Å; I67-R113 PolarHBondContact N-O 2.96Å; H111-R113 PolarHBondContact O-N 3.05Å
114A98.8Very high96.3Very high19 Ų1973.1 Ų73.116%0.15738%0.382CS..EExtended strand (participates in β ladder)trans-123.7127.216900000109.6I67 L101 R102 L105I67-A114 WeakPolarHBondContact O-CA 3.37Å; L101-A114 HydrophobicContact CB-CB 4.39Å; L101-A114 HydrophobicContact CD2-CB 3.78Å; L101-A114 HydrophobicContact CG-CB 3.89Å; R102-A114 HydrophobicContact CB-CB 4.18Å; L105-A114 HydrophobicContact CD1-CB 3.96Å
115T98.8Very high96Very high52 Ų5273 Ų7332%0.31938%0.381SS..EExtended strand (participates in β ladder)trans-134.5149.5178.3-61.10000109.8H66 I67 I68 N69 I117H66-T115 WeakPolarHBondContact NE2-CB 3.39Å; H66-T115 PolarHBondContact NE2-OG1 2.91Å; I67-T115 PolarHBondContact O-N 3.35Å; I68-T115 CarbonylContact C-O 3.4Å; I68-T115 WeakPolarHBondContact CA-O 3.45Å; N69-T115 PolarHBondContact N-O 3.46Å; T115-I117 HydrophobicContact CG2-CD1 4.02Å
116C97.8Very high95.7Very high42 Ų4275.6 Ų75.628%0.28439%0.392SS..EExtended strand (participates in β ladder)trans-120.9147.7159.6680000111.3N69 N71 T98N69-C116 HydrophobicContact CB-CB 4.19Å; N69-C116 CarbonylContact O-C 3.59Å; N69-C116 WeakPolarHBondContact O-CA 3.35Å; N69-C116 WeakPolarHBondContact O-CB 3.14Å; N71-C116 HydrophobicContact CB-CB 4.05Å; T98-C116 HydrophobicContact CG2-CB 3.91Å
117I98.5Very high95.3Very high84 Ų8468.8 Ų68.843%0.43137%0.367SS..EExtended strand (participates in β ladder)trans-109.9131.6172.8-52.7-60000107.3I68 N69 I70 N71 T115 P119I68-I117 HydrophobicContact CG2-CG1 4.03Å; N69-I117 PolarHBondContact O-N 2.77Å; I70-I117 HydrophobicContact CD1-CB 4.22Å; I70-I117 HydrophobicContact CD1-CG1 4.36Å; N71-I117 CarbonylContact C-O 2.92Å; N71-I117 VanDerWaalsContact CA-O 3.3Å; N71-I117 WeakPolarHBondContact CA-O 3.47Å; N71-I117 WeakPolarHBondContact CB-O 3.32Å; N71-I117 PolarHBondContact N-O 2.72Å; T115-I117 HydrophobicContact CG2-CD1 4.02Å; I117-P119 HydrophobicContact CG2-CG 4.22Å; I117-P119 VanDerWaalsContact O-CD 3.31Å; I117-P119 WeakPolarHBondContact O-CD 3.15Å
118S98.1Very high94.9Very high33 Ų3364.8 Ų64.823%0.23135%0.347CS..  trans-119.179.6-177.1-72.40000111.9S72 H76S72-S118 PolarHBondContact O-OG 2.71Å; H76-S118 PolarHBondContact CD2-OG 3.41Å; H76-S118 PolarHBondContact NE2-OG 3.44Å
119P95.9Very high94.5Very high33 Ų3369.5 Ų69.521%0.21436%0.36CS..  trans-67.1156.6177-18.332.4000112.8M73 I117 V122M73-P119 WeakPolarHBondContact CG-O 3.37Å; M73-P119 PolarHBondContact N-O 3Å; I117-P119 HydrophobicContact CG2-CG 4.22Å; I117-P119 VanDerWaalsContact O-CD 3.31Å; I117-P119 WeakPolarHBondContact O-CD 3.15Å; P119-V122 HydrophobicContact CB-CG2 3.66Å; P119-V122 HydrophobicContact CG-CG2 4.48Å
120G91.1Very high94.2Very high48 Ų4861.8 Ų61.850%0.49532%0.324SS..SBendtrans-76.3-145.1157.300000111.1
121V88.1Confident93.6Very high48 Ų4861 Ų6129%0.29132%0.319SS..  trans-71131.6173.6-179.70000110T141 Y142 M145 C147 L148V121-T141 HydrophobicContact CG1-CG2 4.36Å; V121-Y142 HydrophobicContact CG1-CD1 3.6Å; V121-Y142 HydrophobicContact CG1-CE1 3.61Å; V121-M145 HydrophobicContact CB-CE 4.39Å; V121-M145 HydrophobicContact CG2-CE 3.49Å; V121-M145 VanDerWaalsContact CG2-CE 3.49Å; V121-C147 HydrophobicContact CB-CB 4.37Å; V121-C147 HydrophobicContact CG1-CB 4.1Å; V121-C147 WeakPolarHBondContact O-CA 3.39Å; V121-C147 VanDerWaalsContact O-CB 3.29Å; V121-C147 WeakPolarHBondContact O-CB 3.43Å; V121-L148 PolarHBondContact O-N 3.22Å
122V88.6Confident93Very high44 Ų4458.2 Ų58.227%0.26731%0.308SS..BIsolated β-bridgetrans-125.8129.3177.1-171.60000108.8P119 T124 Y142 L148P119-V122 HydrophobicContact CB-CG2 3.66Å; P119-V122 HydrophobicContact CG-CG2 4.48Å; V122-T124 HydrophobicContact CB-CG2 4.46Å; V122-T124 HydrophobicContact CG1-CG2 4.03Å; V122-T124 PolarHBondContact O-N 3.45Å; V122-T124 PolarHBondContact O-OG1 2.94Å; V122-Y142 WeakPolarHBondContact O-CE1 3.42Å; V122-L148 HydrophobicContact CG1-CB 4.23Å; V122-L148 HydrophobicContact CG2-CB 4.29Å; V122-L148 HydrophobicContact CG2-CD1 4.45Å
123E89.1Confident92.3Very high84 Ų8466.9 Ų66.939%0.39335%0.345SS..SBendtrans-67.7101.6-177.7-166.2178.6170.800110.6Y142 L148 P150E123-Y142 HydrophobicContact CB-CD1 4.3Å; E123-Y142 HydrophobicContact CG-CD1 4.4Å; E123-Y142 HydrophobicContact CG-CD2 4.44Å; E123-Y142 HydrophobicContact CG-CG 4.23Å; E123-L148 PolarHBondContact N-O 3.48Å; E123-P150 WeakPolarHBondContact O-CG 3.17Å
124T89.8Confident91.8Very high64 Ų6463.3 Ų63.339%0.39334%0.337SS..SBendtrans-151.6-177.6-175.961.10000109.7V122 F126 Y142V122-T124 HydrophobicContact CB-CG2 4.46Å; V122-T124 HydrophobicContact CG1-CG2 4.03Å; V122-T124 PolarHBondContact O-N 3.45Å; V122-T124 PolarHBondContact O-OG1 2.94Å; T124-F126 PolarHBondContact O-N 3.41Å; T124-F126 VanDerWaalsContact O-N 3.09Å; T124-F126 VanDerWaalsContact OG1-CB 3.28Å; T124-F126 WeakPolarHBondContact OG1-CB 3.43Å; T124-F126 PolarHBondContact OG1-N 3.4Å; T124-Y142 PolarHBondContact O-OH 2.83Å
125Q92.2Very high91.1Very high126 Ų12666.3 Ų66.359%0.58936%0.355SS*.THydrogen-bonded Turntrans-70.83.2170.9-65.2-57.589.300114.3K129Q125-K129 WeakPolarHBondContact O-CG 3.3Å; Q125-K129 PolarHBondContact O-N 3.3Å; Q125-K129 VanDerWaalsContact O-N 3.1Å
126F92.4Very high90.5Very high63 Ų6371.7 Ų71.728%0.27638%0.376SS..Hα-helixtrans-63-50.3-175.2-169.2-83.6000112.3A22 Y87 T124 F128 K129 L130A22-F126 HydrophobicContact CB-CE1 3.89Å; A22-F126 HydrophobicContact CB-CZ 3.65Å; Y87-F126 HydrophobicContact CD2-CZ 4.08Å; Y87-F126 HydrophobicContact CE2-CE2 4.16Å; Y87-F126 AromaticContact CE2-CZ 3.55Å; Y87-F126 HydrophobicContact CE2-CZ 3.55Å; Y87-F126 AromaticContact CZ-CZ 3.9Å; T124-F126 PolarHBondContact O-N 3.41Å; T124-F126 VanDerWaalsContact O-N 3.09Å; T124-F126 VanDerWaalsContact OG1-CB 3.28Å; T124-F126 WeakPolarHBondContact OG1-CB 3.43Å; T124-F126 PolarHBondContact OG1-N 3.4Å; F126-F128 PolarHBondContact O-N 3.17Å; F126-K129 PolarHBondContact O-N 3.31Å; F126-L130 PolarHBondContact O-N 3.28Å
127A89.8Confident89.9Confident3 Ų374.3 Ų74.33%0.02538%0.383CS..Hα-helixtrans-67.7-37.3-179.600000111.9K129 L130 H131 A138 T141 Y142A127-K129 VanDerWaalsContact C-N 3.28Å; A127-K129 PolarHBondContact O-N 3.14Å; A127-L130 PolarHBondContact O-N 3.15Å; A127-H131 PolarHBondContact O-N 2.87Å; A127-A138 HydrophobicContact CB-CB 4.36Å; A127-T141 HydrophobicContact CB-CG2 4.1Å; A127-Y142 HydrophobicContact CB-CE1 4.34Å; A127-Y142 HydrophobicContact CB-CE2 3.59Å; A127-Y142 VanDerWaalsContact CB-CZ 3.46Å; A127-Y142 WeakPolarHBondContact CB-OH 3.29Å; A127-Y142 PolarHBondContact N-OH 3.18Å
128F90.9Very high89.2Confident75 Ų7570.3 Ų70.333%0.32936%0.362SS..Hα-helixtrans-63.1-31.9176.5-68.5-80000113F126 H131 D132 A138 A139 Y142F126-F128 PolarHBondContact O-N 3.17Å; F128-H131 CarbonylContact O-C 3.4Å; F128-D132 VanDerWaalsContact O-CA 3.28Å; F128-D132 WeakPolarHBondContact O-CA 3.45Å; F128-D132 PolarHBondContact O-N 3.2Å; F128-A138 HydrophobicContact CB-CB 4.28Å; F128-A138 HydrophobicContact CD1-CB 3.41Å; F128-A138 VanDerWaalsContact CD1-CB 3.41Å; F128-A138 HydrophobicContact CD2-CB 4.44Å; F128-A138 HydrophobicContact CE1-CB 3.73Å; F128-A138 HydrophobicContact CG-CB 3.81Å; F128-A138 HydrophobicContact CZ-CB 4.37Å; F128-A139 HydrophobicContact CZ-CB 4.48Å; F128-Y142 HydrophobicContact CD2-CE2 4.17Å; F128-Y142 HydrophobicContact CE2-CD2 4.24Å; F128-Y142 AromaticContact CE2-CE2 3.83Å; F128-Y142 HydrophobicContact CE2-CE2 3.83Å
129K91.1Very high88.5Confident143 Ų14370.3 Ų70.362%0.62237%0.365SS*.Hα-helixtrans-79-33.2173.3-70.4176.7-177.6-178.40113Q125 F126 A127Q125-K129 WeakPolarHBondContact O-CG 3.3Å; Q125-K129 PolarHBondContact O-N 3.3Å; Q125-K129 VanDerWaalsContact O-N 3.1Å; F126-K129 PolarHBondContact O-N 3.31Å; A127-K129 VanDerWaalsContact C-N 3.28Å; A127-K129 PolarHBondContact O-N 3.14Å
130L90.8Very high88Confident10 Ų1070.1 Ų70.15%0.05237%0.366CS..Hα-helixtrans-68.2-38.2175174.459.2000111.5A22 P24 T84 F126 A127A22-L130 HydrophobicContact CB-CD1 3.8Å; A22-L130 HydrophobicContact CB-CD2 4.47Å; P24-L130 HydrophobicContact CB-CD1 4.2Å; P24-L130 WeakPolarHBondContact CG-O 3.44Å; T84-L130 HydrophobicContact CG2-CD2 3.89Å; F126-L130 PolarHBondContact O-N 3.28Å; A127-L130 PolarHBondContact O-N 3.15Å
131H88.1Confident87.6Confident17 Ų1769.7 Ų69.78%0.07935%0.354CS..THydrogen-bonded Turntrans-110.848.5178.5-57.2-55.1000110.5A127 F128 K133 D134 A138A127-H131 PolarHBondContact O-N 2.87Å; F128-H131 CarbonylContact O-C 3.4Å; H131-K133 PolarHBondContact O-N 3.21Å; H131-K133 VanDerWaalsContact O-N 3.12Å; H131-D134 WeakPolarHBondContact CB-O 3.48Å; H131-D134 CarbonylContact O-C 3.25Å; H131-D134 VanDerWaalsContact O-C 3.25Å; H131-D134 PolarHBondContact O-N 3.16Å; H131-A138 HydrophobicContact CB-CB 4.11Å
132D84.3Confident87.3Confident79 Ų7968.7 Ų68.742%0.42235%0.345SS..THydrogen-bonded Turntrans-56.8-28.5-178.257.11.1000113.7R23 F128R23-D132 IonicContact NH1-OD2 3.09Å; R23-D132 PolarHBondContact NH1-OD2 2.96Å; R23-D132 VanDerWaalsContact NH1-OD2 3.09Å; F128-D132 VanDerWaalsContact O-CA 3.28Å; F128-D132 WeakPolarHBondContact O-CA 3.45Å; F128-D132 PolarHBondContact O-N 3.2Å
133K85.7Confident86.9Confident195 Ų19574.2 Ų74.285%0.84837%0.368SS*.THydrogen-bonded Turntrans-91-4.1176-64.6177.3-175.2-1780114.6H131H131-K133 PolarHBondContact O-N 3.21Å; H131-K133 VanDerWaalsContact O-N 3.12Å
134D87.4Confident86Confident68 Ų6877.7 Ų77.736%0.36438%0.384SS..  trans-146.278.4-174.3-171.6-12.2000111.1H131 E136 K137 A138H131-D134 WeakPolarHBondContact CB-O 3.48Å; H131-D134 CarbonylContact O-C 3.25Å; H131-D134 VanDerWaalsContact O-C 3.25Å; H131-D134 PolarHBondContact O-N 3.16Å; D134-E136 VanDerWaalsContact C-N 3.27Å; D134-E136 PolarHBondContact O-N 3.07Å; D134-K137 HydrophobicContact CB-CB 4.04Å; D134-K137 PolarHBondContact O-N 3.15Å; D134-K137 WeakPolarHBondContact OD1-CB 3.34Å; D134-K137 PolarHBondContact OD1-N 2.8Å; D134-K137 VanDerWaalsContact OD2-CB 3.27Å; D134-K137 WeakPolarHBondContact OD2-CB 3.47Å; D134-K137 WeakPolarHBondContact OD2-CD 3.47Å; D134-A138 PolarHBondContact O-N 3.04Å; D134-A138 VanDerWaalsContact O-N 3.14Å
135P84.7Confident85.1Confident82 Ų8279.9 Ų79.953%0.53239%0.391SS..Hα-helixtrans-63.4-29.3-177.9-22.934.4000113.9A138 A139P135-A138 WeakPolarHBondContact O-CB 3.35Å; P135-A138 PolarHBondContact O-N 3.36Å; P135-A139 PolarHBondContact O-N 2.77Å
136E86.9Confident84.4Confident165 Ų16584.3 Ų84.377%0.77141%0.408SS*.Hα-helixtrans-66.2-43.6176.9-67.5-176.5-178.200110.4D134 A138 A139 A140D134-E136 VanDerWaalsContact C-N 3.27Å; D134-E136 PolarHBondContact O-N 3.07Å; E136-A138 VanDerWaalsContact C-N 3.3Å; E136-A138 PolarHBondContact O-N 3.26Å; E136-A139 PolarHBondContact O-N 3.15Å; E136-A140 WeakPolarHBondContact O-CB 3.26Å; E136-A140 PolarHBondContact O-N 3.38Å
137K85.2Confident84Confident96 Ų9682.3 Ų82.342%0.41740%0.402SS..Hα-helixtrans-64.2-34.5173.4-174.4173.5-174.51700113.1D134 T141D134-K137 HydrophobicContact CB-CB 4.04Å; D134-K137 PolarHBondContact O-N 3.15Å; D134-K137 WeakPolarHBondContact OD1-CB 3.34Å; D134-K137 PolarHBondContact OD1-N 2.8Å; D134-K137 VanDerWaalsContact OD2-CB 3.27Å; D134-K137 WeakPolarHBondContact OD2-CB 3.47Å; D134-K137 WeakPolarHBondContact OD2-CD 3.47Å; K137-T141 PolarHBondContact O-N 3.16Å; K137-T141 PolarHBondContact O-OG1 2.86Å
138A82.9Confident83.5Confident0 Ų087.6 Ų87.60%043%0.429CS..Hα-helixtrans-62.4-48.4172.700000111.6A127 F128 H131 D134 P135 E136 T141A127-A138 HydrophobicContact CB-CB 4.36Å; F128-A138 HydrophobicContact CB-CB 4.28Å; F128-A138 HydrophobicContact CD1-CB 3.41Å; F128-A138 VanDerWaalsContact CD1-CB 3.41Å; F128-A138 HydrophobicContact CD2-CB 4.44Å; F128-A138 HydrophobicContact CE1-CB 3.73Å; F128-A138 HydrophobicContact CG-CB 3.81Å; F128-A138 HydrophobicContact CZ-CB 4.37Å; H131-A138 HydrophobicContact CB-CB 4.11Å; D134-A138 PolarHBondContact O-N 3.04Å; D134-A138 VanDerWaalsContact O-N 3.14Å; P135-A138 WeakPolarHBondContact O-CB 3.35Å; P135-A138 PolarHBondContact O-N 3.36Å; E136-A138 VanDerWaalsContact C-N 3.3Å; E136-A138 PolarHBondContact O-N 3.26Å; A138-T141 VanDerWaalsContact O-CB 3.26Å; A138-T141 WeakPolarHBondContact O-CB 3.28Å; A138-T141 PolarHBondContact O-N 3.19Å
139A84.1Confident82.7Confident34 Ų3491.6 Ų91.628%0.28145%0.447SS..Hα-helixtrans-61.7-45.2177.300000111.6F128 P135 E136 T141 Y142 E143F128-A139 HydrophobicContact CZ-CB 4.48Å; P135-A139 PolarHBondContact O-N 2.77Å; E136-A139 PolarHBondContact O-N 3.15Å; A139-T141 PolarHBondContact O-N 3.28Å; A139-T141 VanDerWaalsContact O-N 3.12Å; A139-Y142 PolarHBondContact O-N 3.45Å; A139-E143 PolarHBondContact O-N 3.37Å
140A85.3Confident81.6Confident28 Ų2893 Ų9323%0.23147%0.47CS..Hα-helixtrans-59.1-27.6178.300000113.2E136 Y142 E143 Q144E136-A140 WeakPolarHBondContact O-CB 3.26Å; E136-A140 PolarHBondContact O-N 3.38Å; A140-Y142 PolarHBondContact O-N 3.31Å; A140-E143 PolarHBondContact O-N 3.1Å; A140-Q144 VanDerWaalsContact O-CG 3.27Å; A140-Q144 WeakPolarHBondContact O-CG 3.36Å; A140-Q144 PolarHBondContact O-N 2.82Å
141T81.4Confident81.1Confident40 Ų4097.1 Ų97.125%0.24549%0.491CS..Hα-helixtrans-59.6-32.1175.4-59.20000111.9V121 A127 K137 A138 A139V121-T141 HydrophobicContact CG1-CG2 4.36Å; A127-T141 HydrophobicContact CB-CG2 4.1Å; K137-T141 PolarHBondContact O-N 3.16Å; K137-T141 PolarHBondContact O-OG1 2.86Å; A138-T141 VanDerWaalsContact O-CB 3.26Å; A138-T141 WeakPolarHBondContact O-CB 3.28Å; A138-T141 PolarHBondContact O-N 3.19Å; A139-T141 PolarHBondContact O-N 3.28Å; A139-T141 VanDerWaalsContact O-N 3.12Å
142Y82.4Confident80.7Confident26 Ų26101.3 Ų101.310%0.10251%0.512CS..Hα-helixtrans-92.1-18.4-177.9-60.6-55000113.7V121 V122 E123 T124 A127 F128 A139 A140V121-Y142 HydrophobicContact CG1-CD1 3.6Å; V121-Y142 HydrophobicContact CG1-CE1 3.61Å; V122-Y142 WeakPolarHBondContact O-CE1 3.42Å; E123-Y142 HydrophobicContact CB-CD1 4.3Å; E123-Y142 HydrophobicContact CG-CD1 4.4Å; E123-Y142 HydrophobicContact CG-CD2 4.44Å; E123-Y142 HydrophobicContact CG-CG 4.23Å; T124-Y142 PolarHBondContact O-OH 2.83Å; A127-Y142 HydrophobicContact CB-CE1 4.34Å; A127-Y142 HydrophobicContact CB-CE2 3.59Å; A127-Y142 VanDerWaalsContact CB-CZ 3.46Å; A127-Y142 WeakPolarHBondContact CB-OH 3.29Å; A127-Y142 PolarHBondContact N-OH 3.18Å; F128-Y142 HydrophobicContact CD2-CE2 4.17Å; F128-Y142 HydrophobicContact CE2-CD2 4.24Å; F128-Y142 AromaticContact CE2-CE2 3.83Å; F128-Y142 HydrophobicContact CE2-CE2 3.83Å; A139-Y142 PolarHBondContact O-N 3.45Å; A140-Y142 PolarHBondContact O-N 3.31Å
143E80.1Confident80.5Confident161 Ų161102.6 Ų102.675%0.75252%0.517SS*.Hα-helixtrans-83.8-31.2177.6-65.7177.1177.900112.6A139 A140 M145A139-E143 PolarHBondContact O-N 3.37Å; A140-E143 PolarHBondContact O-N 3.1Å; E143-M145 VanDerWaalsContact C-N 3.26Å; E143-M145 PolarHBondContact O-N 3.21Å
144Q70.6Confident80.2Confident157 Ų15797.1 Ų97.173%0.73450%0.498SS*.SBendtrans-70.7-18.5-175.2-74.2174.912.300114.2A140A140-Q144 VanDerWaalsContact O-CG 3.27Å; A140-Q144 WeakPolarHBondContact O-CG 3.36Å; A140-Q144 PolarHBondContact O-N 2.82Å
145M69.8Low79.8Confident109 Ų10998.9 Ų98.954%0.53751%0.506SS..SBendtrans-144.3143.8-179-70-173.2-74.900110.5V121 E143 C147V121-M145 HydrophobicContact CB-CE 4.39Å; V121-M145 HydrophobicContact CG2-CE 3.49Å; V121-M145 VanDerWaalsContact CG2-CE 3.49Å; E143-M145 VanDerWaalsContact C-N 3.26Å; E143-M145 PolarHBondContact O-N 3.21Å; M145-C147 PolarHBondContact O-N 3.36Å
146K79.1Confident79.5Confident220 Ų220100.1 Ų100.196%0.95751%0.505SS*.  trans-62.6100.1168.5-172180-178.2-179.60108.8
147C83.1Confident78.9Confident21 Ų2195.4 Ų95.414%0.14249%0.486CS..PPolyproline II helixtrans-88.4159179.552.60000111.5V121 M145V121-C147 HydrophobicContact CB-CB 4.37Å; V121-C147 HydrophobicContact CG1-CB 4.1Å; V121-C147 WeakPolarHBondContact O-CA 3.39Å; V121-C147 VanDerWaalsContact O-CB 3.29Å; V121-C147 WeakPolarHBondContact O-CB 3.43Å; M145-C147 PolarHBondContact O-N 3.36Å
148L79.7Confident78.4Confident114 Ų11495.4 Ų95.460%0.59749%0.491SS*.BIsolated β-bridgetrans-69.8136.6166.6-69.5171.3000108.7V121 V122 E123V121-L148 PolarHBondContact O-N 3.22Å; V122-L148 HydrophobicContact CG1-CB 4.23Å; V122-L148 HydrophobicContact CG2-CB 4.29Å; V122-L148 HydrophobicContact CG2-CD1 4.45Å; E123-L148 PolarHBondContact N-O 3.48Å
149K74.7Confident78.1Confident159 Ų159103.3 Ų103.369%0.69153%0.532SS*.PPolyproline II helixtrans-97.8150.5174.2-63.4-172.8174.2-1710109.8
150P66.6Low77.5Confident171 Ų171109.6 Ų109.6100%1.1155%0.554SS**  trans-58.50174.3-20.933000113.3E123E123-P150 WeakPolarHBondContact O-CG 3.17Å

Retrieved 150 of 150 residues in 482.7 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).