G4V7H0_SCHMA Loading...

3'(2'),5'-bisphosphate nucleotidase 1

AlphaFold DB , UniProt , Accession G4V7H0, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 325 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
1M68.6Low93.8Very high218 Ų21854.3 Ų54.3100%1.07425%0.254SS*.  0136.60-168.8-179.3-67.600107.2
2R87.4Confident94.2Very high214 Ų21449.8 Ų49.881%0.80823%0.233SC*.PPolyproline II helixtrans-68.6132.5-179.5-156.9176.4-162.11744108.4
3P93Very high94.6Very high45 Ų4545.9 Ų45.929%0.29222%0.215SC..PPolyproline II helixtrans-58.3140.9179.3-25.133.8000111.5M7 K8 L91P3-M7 HydrophobicContact CB-CB 4.47Å; P3-K8 HydrophobicContact CB-CG 4.07Å; P3-K8 WeakPolarHBondContact O-CE 3.25Å; P3-L91 HydrophobicContact CB-CD2 3.96Å; P3-L91 HydrophobicContact CG-CD2 4.19Å
4P96.1Very high94.9Very high32 Ų3243.1 Ų43.121%0.20820%0.203CC..PPolyproline II helixtrans-54.1156.2174.4-30.740.2000113.1V6 M7 K8 C95 K100P4-V6 PolarHBondContact O-N 3.07Å; P4-M7 HydrophobicContact CB-CG 4.47Å; P4-M7 PolarHBondContact O-N 3.25Å; P4-M7 VanDerWaalsContact O-N 3.17Å; P4-K8 PolarHBondContact O-N 3.43Å; P4-C95 HydrophobicContact CB-CB 4.13Å; P4-C95 HydrophobicContact CG-CB 3.63Å; P4-K100 HydrophobicContact CG-CG 3.99Å
5L97.3Very high95.1Very high34 Ų3440.7 Ų40.718%0.17819%0.193CC..Hα-helixtrans-56.5-50.1-174179.760.4000112.3M7 K8 I9 F63 L104 I107L5-M7 VanDerWaalsContact C-N 3.28Å; L5-M7 PolarHBondContact O-N 3.43Å; L5-K8 PolarHBondContact O-N 3.05Å; L5-K8 VanDerWaalsContact O-N 3.08Å; L5-I9 HydrophobicContact CD1-CD1 4.01Å; L5-I9 HydrophobicContact CD1-CG1 4.25Å; L5-I9 HydrophobicContact CG-CD1 3.89Å; L5-I9 HydrophobicContact CG-CG1 4.5Å; L5-I9 WeakPolarHBondContact O-CG1 3.39Å; L5-I9 PolarHBondContact O-N 3.4Å; L5-F63 HydrophobicContact CD1-CD1 4.06Å; L5-F63 HydrophobicContact CD1-CE1 4.19Å; L5-L104 HydrophobicContact CD1-CD1 4.36Å; L5-L104 HydrophobicContact CD2-CB 4.03Å; L5-L104 HydrophobicContact CD2-CD1 3.93Å; L5-I107 HydrophobicContact CD2-CD1 3.93Å; L5-I107 HydrophobicContact CG-CD1 4.17Å
6V97.8Very high95.3Very high2 Ų238.2 Ų38.21%0.01218%0.181CC..Hα-helixtrans-55.8-39.3178.268.80000113P4 I9 L10 C95 L99 V141 L171P4-V6 PolarHBondContact O-N 3.07Å; V6-I9 PolarHBondContact O-N 3Å; V6-L10 WeakPolarHBondContact O-CB 3.43Å; V6-L10 PolarHBondContact O-N 3.2Å; V6-C95 VanDerWaalsContact CG1-SG 3.58Å; V6-L99 HydrophobicContact CG1-CB 4.04Å; V6-L99 WeakPolarHBondContact CG1-O 3.39Å; V6-V141 HydrophobicContact CG2-CG2 4.48Å; V6-L171 HydrophobicContact CG2-CD1 3.95Å
7M98.1Very high95.5Very high3 Ų335.9 Ų35.92%0.01517%0.17CC..Hα-helixtrans-67.8-38.3178.7-66.5-56.6-63.900111.5P3 P4 L5 A11 V90 L91 C95 L171 L174P3-M7 HydrophobicContact CB-CB 4.47Å; P4-M7 HydrophobicContact CB-CG 4.47Å; P4-M7 PolarHBondContact O-N 3.25Å; P4-M7 VanDerWaalsContact O-N 3.17Å; L5-M7 VanDerWaalsContact C-N 3.28Å; L5-M7 PolarHBondContact O-N 3.43Å; M7-A11 VanDerWaalsContact O-CB 3.25Å; M7-A11 WeakPolarHBondContact O-CB 3.49Å; M7-A11 PolarHBondContact O-N 3.08Å; M7-V90 HydrophobicContact CE-CG1 4Å; M7-V90 WeakPolarHBondContact CE-O 3.25Å; M7-L91 HydrophobicContact CB-CD2 4.27Å; M7-C95 HydrophobicContact CG-CB 3.62Å; M7-C95 HydrophobicContact SD-CB 4.12Å; M7-L171 HydrophobicContact SD-CD2 3.5Å; M7-L171 WeakPolarHBondContact SD-CD2 3.32Å; M7-L174 HydrophobicContact CE-CD2 4.46Å
8K98.1Very high95.6Very high49 Ų4937.6 Ų37.621%0.21318%0.18CC..Hα-helixtrans-66.8-42.6175.2-64.6-179.7-70.21620111.4P3 P4 L5 A11 A12 F63P3-K8 HydrophobicContact CB-CG 4.07Å; P3-K8 WeakPolarHBondContact O-CE 3.25Å; P4-K8 PolarHBondContact O-N 3.43Å; L5-K8 PolarHBondContact O-N 3.05Å; L5-K8 VanDerWaalsContact O-N 3.08Å; K8-A11 PolarHBondContact O-N 3.31Å; K8-A12 WeakPolarHBondContact O-CB 3.46Å; K8-A12 PolarHBondContact O-N 3.5Å; K8-F63 HydrophobicContact CB-CE1 3.87Å; K8-F63 HydrophobicContact CB-CZ 3.86Å
9I98.5Very high95.7Very high0 Ų038.8 Ų38.80%019%0.185CC..Hα-helixtrans-64.3-43.6177.9-65.3172.1000110.1L5 V6 A12 S13 F63 L66 L104 I107 V109 I134L5-I9 HydrophobicContact CD1-CD1 4.01Å; L5-I9 HydrophobicContact CD1-CG1 4.25Å; L5-I9 HydrophobicContact CG-CD1 3.89Å; L5-I9 HydrophobicContact CG-CG1 4.5Å; L5-I9 WeakPolarHBondContact O-CG1 3.39Å; L5-I9 PolarHBondContact O-N 3.4Å; V6-I9 PolarHBondContact O-N 3Å; I9-A12 PolarHBondContact O-N 3.18Å; I9-S13 WeakPolarHBondContact O-CB 3.49Å; I9-S13 PolarHBondContact O-N 3.18Å; I9-S13 PolarHBondContact O-OG 3.28Å; I9-F63 HydrophobicContact CB-CE2 4.31Å; I9-F63 HydrophobicContact CB-CZ 4.35Å; I9-F63 HydrophobicContact CG1-CD1 4.12Å; I9-F63 HydrophobicContact CG1-CD2 4.01Å; I9-F63 HydrophobicContact CG1-CE1 3.89Å; I9-F63 HydrophobicContact CG1-CE2 3.77Å; I9-F63 HydrophobicContact CG1-CG 4.18Å; I9-F63 HydrophobicContact CG1-CZ 3.72Å; I9-L66 HydrophobicContact CD1-CD1 3.99Å; I9-L66 HydrophobicContact CD1-CD2 4.33Å; I9-L66 HydrophobicContact CG2-CD2 4.46Å; I9-L104 HydrophobicContact CD1-CD1 4.48Å; I9-I107 HydrophobicContact CD1-CD1 3.79Å; I9-I107 HydrophobicContact CD1-CG2 4.07Å; I9-V109 HydrophobicContact CG2-CG2 3.94Å; I9-I134 HydrophobicContact CB-CD1 4.48Å; I9-I134 HydrophobicContact CG2-CD1 3.83Å; I9-I134 HydrophobicContact CG2-CG1 4.13Å
10L98.7Very high95.8Very high0 Ų036.9 Ų36.90%018%0.175CC..Hα-helixtrans-62.3-44174.7-176.662000112V6 A12 S13 V14 V90 I134 V144 W169 L171V6-L10 WeakPolarHBondContact O-CB 3.43Å; V6-L10 PolarHBondContact O-N 3.2Å; L10-A12 VanDerWaalsContact C-N 3.35Å; L10-A12 PolarHBondContact O-N 3.29Å; L10-S13 WeakPolarHBondContact O-CB 3.43Å; L10-S13 PolarHBondContact O-N 3.17Å; L10-V14 WeakPolarHBondContact O-CG2 3.31Å; L10-V14 PolarHBondContact O-N 2.89Å; L10-V90 HydrophobicContact CB-CG1 4.3Å; L10-V90 HydrophobicContact CD2-CG1 4.04Å; L10-V90 HydrophobicContact CG-CG1 3.99Å; L10-I134 HydrophobicContact CB-CD1 3.9Å; L10-I134 HydrophobicContact CD1-CD1 3.98Å; L10-V144 HydrophobicContact CD1-CG2 4.23Å; L10-W169 HydrophobicContact CD1-CE3 4.45Å; L10-W169 HydrophobicContact CD2-CE3 3.74Å; L10-W169 HydrophobicContact CD2-CZ3 3.81Å; L10-W169 HydrophobicContact CG-CE3 4.26Å; L10-L171 HydrophobicContact CD2-CB 3.96Å; L10-L171 HydrophobicContact CD2-CD1 4.26Å; L10-L171 HydrophobicContact CD2-CD2 4.42Å; L10-L171 HydrophobicContact CD2-CG 4.47Å
11A98.7Very high95.9Very high0 Ų035.1 Ų35.10%017%0.167CC..Hα-helixtrans-62.4-40.117700000112.6M7 K8 S15 L86 N87 V90 L91M7-A11 VanDerWaalsContact O-CB 3.25Å; M7-A11 WeakPolarHBondContact O-CB 3.49Å; M7-A11 PolarHBondContact O-N 3.08Å; K8-A11 PolarHBondContact O-N 3.31Å; A11-S15 PolarHBondContact O-N 2.83Å; A11-L86 HydrophobicContact CB-CB 4.14Å; A11-N87 WeakPolarHBondContact O-CB 3.42Å; A11-N87 PolarHBondContact O-N 3.02Å; A11-V90 HydrophobicContact CB-CB 3.94Å; A11-V90 HydrophobicContact CB-CG1 3.95Å; A11-L91 HydrophobicContact CB-CD1 4.41Å; A11-L91 HydrophobicContact CB-CD2 3.63Å; A11-L91 HydrophobicContact CB-CG 3.81Å
12A98.7Very high97.1Very high0 Ų027.6 Ų27.60%014%0.135CC..Hα-helixtrans-63.6-45.9172.100000111K8 I9 L10 V14 S15 L16 L59 I62 F63 L86K8-A12 WeakPolarHBondContact O-CB 3.46Å; K8-A12 PolarHBondContact O-N 3.5Å; I9-A12 PolarHBondContact O-N 3.18Å; L10-A12 VanDerWaalsContact C-N 3.35Å; L10-A12 PolarHBondContact O-N 3.29Å; A12-V14 VanDerWaalsContact C-N 3.32Å; A12-V14 PolarHBondContact O-N 3.3Å; A12-S15 PolarHBondContact O-N 3.4Å; A12-L16 WeakPolarHBondContact O-CB 3.22Å; A12-L16 VanDerWaalsContact O-CG 3.23Å; A12-L16 WeakPolarHBondContact O-CG 3.34Å; A12-L16 PolarHBondContact O-N 3.38Å; A12-L59 HydrophobicContact CB-CD2 4.15Å; A12-I62 HydrophobicContact CB-CD1 3.88Å; A12-F63 HydrophobicContact CB-CE2 3.79Å; A12-F63 HydrophobicContact CB-CZ 4.29Å; A12-L86 HydrophobicContact CB-CD2 3.56Å
13S98.7Very high97.5Very high0 Ų019.2 Ų19.20%011%0.106CC..Hα-helixtrans-59.1-42.7-179.8-57.90000111.7I9 L10 L16 A17I9-S13 WeakPolarHBondContact O-CB 3.49Å; I9-S13 PolarHBondContact O-N 3.18Å; I9-S13 PolarHBondContact O-OG 3.28Å; L10-S13 WeakPolarHBondContact O-CB 3.43Å; L10-S13 PolarHBondContact O-N 3.17Å; S13-L16 PolarHBondContact O-N 3.44Å; S13-A17 VanDerWaalsContact O-CB 3.29Å; S13-A17 WeakPolarHBondContact O-CB 3.16Å; S13-A17 PolarHBondContact O-N 3.37Å
14V98.7Very high97.7Very high6 Ų617.1 Ų17.14%0.0369%0.092CC..Hα-helixtrans-61.6-47.2175.6167.60000111.4L10 A12 L16 D18 N87 V90 V144 I167 W169L10-V14 WeakPolarHBondContact O-CG2 3.31Å; L10-V14 PolarHBondContact O-N 2.89Å; A12-V14 VanDerWaalsContact C-N 3.32Å; A12-V14 PolarHBondContact O-N 3.3Å; V14-L16 PolarHBondContact O-N 2.65Å; V14-D18 PolarHBondContact O-N 2.94Å; V14-N87 HydrophobicContact CB-CB 4.01Å; V14-N87 HydrophobicContact CG1-CB 3.7Å; V14-N87 WeakPolarHBondContact CG1-ND2 3.43Å; V14-V90 HydrophobicContact CB-CG2 4.2Å; V14-V90 HydrophobicContact CG1-CG2 4.31Å; V14-V90 HydrophobicContact CG2-CG2 3.88Å; V14-V144 HydrophobicContact CG2-CG2 3.75Å; V14-I167 HydrophobicContact CG1-CG2 4.05Å; V14-I167 HydrophobicContact CG2-CG2 4.5Å; V14-W169 HydrophobicContact CG2-CB 3.86Å; V14-W169 HydrophobicContact CG2-CD2 4.28Å; V14-W169 HydrophobicContact CG2-CG 3.75Å
15S98.4Very high97.6Very high8 Ų818.1 Ų18.16%0.0569%0.092CC..Hα-helixtrans-64.5-38.3177.1-72.60000112.7A11 A12 K19 E85 N87A11-S15 PolarHBondContact O-N 2.83Å; A12-S15 PolarHBondContact O-N 3.4Å; S15-K19 WeakPolarHBondContact O-CG 3.46Å; S15-K19 PolarHBondContact O-N 2.99Å; S15-E85 WeakPolarHBondContact CB-O 3.48Å; S15-N87 PolarHBondContact OG-N 3.1Å
16L98.6Very high97.5Very high0 Ų019.3 Ų19.30%011%0.107CC..Hα-helixtrans-74.6-34.8-179.5-68.3170.7000112.5A12 S13 V14 D18 K19 A20 I55 S58 L59 I132A12-L16 WeakPolarHBondContact O-CB 3.22Å; A12-L16 VanDerWaalsContact O-CG 3.23Å; A12-L16 WeakPolarHBondContact O-CG 3.34Å; A12-L16 PolarHBondContact O-N 3.38Å; S13-L16 PolarHBondContact O-N 3.44Å; V14-L16 PolarHBondContact O-N 2.65Å; L16-D18 VanDerWaalsContact C-N 3.32Å; L16-D18 PolarHBondContact O-N 2.73Å; L16-K19 PolarHBondContact O-N 2.84Å; L16-A20 WeakPolarHBondContact O-CB 3.43Å; L16-A20 PolarHBondContact O-N 3.36Å; L16-I55 HydrophobicContact CB-CG1 4.21Å; L16-S58 WeakPolarHBondContact CD2-OG 3.21Å; L16-L59 HydrophobicContact CD1-CD2 3.81Å; L16-L59 HydrophobicContact CD1-CG 3.7Å; L16-I132 HydrophobicContact CB-CD1 4.45Å
17A98.5Very high97.3Very high0 Ų019.4 Ų19.40%011%0.108CC..Hα-helixtrans-64.5-35.817400000112.2S13 C21 I132 V144 A146 I167S13-A17 VanDerWaalsContact O-CB 3.29Å; S13-A17 WeakPolarHBondContact O-CB 3.16Å; S13-A17 PolarHBondContact O-N 3.37Å; A17-C21 PolarHBondContact O-N 3.47Å; A17-C21 PolarHBondContact O-SG 3.41Å; A17-I132 HydrophobicContact CB-CD1 4Å; A17-V144 HydrophobicContact CB-CB 4.43Å; A17-V144 HydrophobicContact CB-CG1 3.66Å; A17-A146 HydrophobicContact CB-CB 3.81Å; A17-I167 HydrophobicContact CB-CD1 4.34Å
18D97.5Very high97.1Very high66 Ų6622.5 Ų22.535%0.35312%0.12SC..Hα-helixtrans-67.2-40.3173.1-174.243.8000112V14 L16 C21 C22 T165 I167V14-D18 PolarHBondContact O-N 2.94Å; L16-D18 VanDerWaalsContact C-N 3.32Å; L16-D18 PolarHBondContact O-N 2.73Å; D18-C21 WeakPolarHBondContact O-CB 3.33Å; D18-C21 PolarHBondContact O-N 2.99Å; D18-C22 PolarHBondContact O-N 2.92Å; D18-C22 PolarHBondContact O-SG 2.97Å; D18-T165 WeakPolarHBondContact OD1-CG2 3.45Å; D18-T165 PolarHBondContact OD1-OG1 2.91Å; D18-I167 HydrophobicContact CB-CD1 4.01Å; D18-I167 HydrophobicContact CB-CG1 4.31Å
19K97.1Very high96.9Very high61 Ų6125.7 Ų25.727%0.26514%0.139SC..Hα-helixtrans-64.4-43.3174.5-68.9-179.8-171.3-168.30112S15 L16 C21 C22 L23 S83 E85S15-K19 WeakPolarHBondContact O-CG 3.46Å; S15-K19 PolarHBondContact O-N 2.99Å; L16-K19 PolarHBondContact O-N 2.84Å; K19-C21 VanDerWaalsContact C-N 3.33Å; K19-C21 PolarHBondContact O-N 2.83Å; K19-C22 WeakPolarHBondContact O-CB 3.34Å; K19-C22 PolarHBondContact O-N 2.85Å; K19-C22 VanDerWaalsContact O-N 3.12Å; K19-L23 WeakPolarHBondContact O-CG 3.14Å; K19-L23 PolarHBondContact O-N 2.93Å; K19-S83 WeakPolarHBondContact CE-OG 3.43Å; K19-S83 VanDerWaalsContact NZ-CB 3.28Å; K19-S83 PolarHBondContact NZ-OG 2.85Å; K19-E85 WeakPolarHBondContact CE-OE2 3.47Å; K19-E85 IonicContact NZ-OE2 2.7Å; K19-E85 PolarHBondContact NZ-OE2 2.97Å
20A97.7Very high96.6Very high0 Ų028.4 Ų28.40%016%0.158CC..Hα-helixtrans-58.7-44.1172.400000111.3L16 C22 L23 I24 S51 I55 V130L16-A20 WeakPolarHBondContact O-CB 3.43Å; L16-A20 PolarHBondContact O-N 3.36Å; A20-C22 VanDerWaalsContact C-N 3.27Å; A20-C22 PolarHBondContact O-N 3.41Å; A20-L23 WeakPolarHBondContact O-CB 3.46Å; A20-L23 PolarHBondContact O-N 2.98Å; A20-L23 VanDerWaalsContact O-N 3.12Å; A20-I24 VanDerWaalsContact O-CG1 3.31Å; A20-I24 WeakPolarHBondContact O-CG1 3.38Å; A20-I24 PolarHBondContact O-N 3.28Å; A20-S51 PolarHBondContact O-OG 3.22Å; A20-I55 HydrophobicContact CB-CD1 3.81Å; A20-I55 HydrophobicContact CB-CG1 4.25Å; A20-V130 HydrophobicContact CB-CG1 4.03Å; A20-V130 HydrophobicContact CB-CG2 4.07Å
21C97.3Very high96.1Very high0 Ų037.4 Ų37.40%020%0.197CC..Hα-helixtrans-57.5-39.1173.9-72.20000112.9A17 D18 K19 I24 R25 A146 P148 T165A17-C21 PolarHBondContact O-N 3.47Å; A17-C21 PolarHBondContact O-SG 3.41Å; D18-C21 WeakPolarHBondContact O-CB 3.33Å; D18-C21 PolarHBondContact O-N 2.99Å; K19-C21 VanDerWaalsContact C-N 3.33Å; K19-C21 PolarHBondContact O-N 2.83Å; C21-I24 PolarHBondContact O-N 2.89Å; C21-R25 WeakPolarHBondContact O-CG 2.87Å; C21-R25 PolarHBondContact O-N 3.21Å; C21-R25 VanDerWaalsContact O-N 3.09Å; C21-A146 VanDerWaalsContact SG-CB 3.56Å; C21-P148 HydrophobicContact CB-CB 3.92Å; C21-T165 HydrophobicContact CB-CG2 3.73Å
22C95.3Very high95.7Very high59 Ų5941.4 Ų41.440%0.39922%0.219SC..Hα-helixtrans-65.9-41.6176.2-64.10000112.1D18 K19 A20 R25 A26D18-C22 PolarHBondContact O-N 2.92Å; D18-C22 PolarHBondContact O-SG 2.97Å; K19-C22 WeakPolarHBondContact O-CB 3.34Å; K19-C22 PolarHBondContact O-N 2.85Å; K19-C22 VanDerWaalsContact O-N 3.12Å; A20-C22 VanDerWaalsContact C-N 3.27Å; A20-C22 PolarHBondContact O-N 3.41Å; C22-R25 PolarHBondContact SG-NH2 3.46Å; C22-A26 WeakPolarHBondContact O-CB 3.37Å; C22-A26 PolarHBondContact O-N 3.28Å
23L95.4Very high95.3Very high39 Ų3942.8 Ų42.820%0.20423%0.226CC..Hα-helixtrans-63.1-46.1175.2-67.2171.8000111.3K19 A20 R25 A26 V27 C54 L80K19-L23 WeakPolarHBondContact O-CG 3.14Å; K19-L23 PolarHBondContact O-N 2.93Å; A20-L23 WeakPolarHBondContact O-CB 3.46Å; A20-L23 PolarHBondContact O-N 2.98Å; A20-L23 VanDerWaalsContact O-N 3.12Å; L23-R25 VanDerWaalsContact C-N 3.34Å; L23-R25 PolarHBondContact O-N 2.91Å; L23-A26 PolarHBondContact O-N 3.17Å; L23-V27 WeakPolarHBondContact O-CG2 3.41Å; L23-V27 PolarHBondContact O-N 2.9Å; L23-C54 HydrophobicContact CD1-CB 3.67Å; L23-L80 HydrophobicContact CD2-CD2 4.34Å
24I96.4Very high95Very high0 Ų044.7 Ų44.70%024%0.242CC..Hα-helixtrans-57.9-46.9178.5-67.7165.6000111A20 C21 V27 Y28 A47 S51 L114 F120 V128 V130 P148 F149A20-I24 VanDerWaalsContact O-CG1 3.31Å; A20-I24 WeakPolarHBondContact O-CG1 3.38Å; A20-I24 PolarHBondContact O-N 3.28Å; C21-I24 PolarHBondContact O-N 2.89Å; I24-V27 PolarHBondContact O-N 2.99Å; I24-Y28 WeakPolarHBondContact O-CB 3.5Å; I24-Y28 PolarHBondContact O-N 3.27Å; I24-A47 HydrophobicContact CG1-CB 4.15Å; I24-S51 WeakPolarHBondContact CG1-OG 3.33Å; I24-L114 HydrophobicContact CD1-CB 4.49Å; I24-L114 HydrophobicContact CD1-CD1 4.4Å; I24-L114 HydrophobicContact CD1-CG 4.29Å; I24-L114 HydrophobicContact CG1-CD1 4.22Å; I24-L114 HydrophobicContact CG2-CD1 4.3Å; I24-F120 HydrophobicContact CG2-CE2 3.81Å; I24-F120 HydrophobicContact CG2-CZ 4.19Å; I24-V128 HydrophobicContact CG2-CG1 4.38Å; I24-V130 HydrophobicContact CD1-CG2 3.34Å; I24-P148 HydrophobicContact CB-CB 4.32Å; I24-P148 HydrophobicContact CB-CG 4.45Å; I24-P148 HydrophobicContact CD1-CG 4.28Å; I24-P148 HydrophobicContact CG2-CB 4.13Å; I24-P148 HydrophobicContact CG2-CG 3.95Å; I24-F149 HydrophobicContact CG2-CE2 3.8Å; I24-F149 HydrophobicContact CG2-CZ 4.27Å
25R94.8Very high94.4Very high53 Ų5348.5 Ų48.520%0.226%0.261CS..Hα-helixtrans-60.7-46.4175.5-74-167.2-65.8-90.3-1.7112.2C21 C22 L23 V27 Y28 D29 P148 F149 T165C21-R25 WeakPolarHBondContact O-CG 2.87Å; C21-R25 PolarHBondContact O-N 3.21Å; C21-R25 VanDerWaalsContact O-N 3.09Å; C22-R25 PolarHBondContact SG-NH2 3.46Å; L23-R25 VanDerWaalsContact C-N 3.34Å; L23-R25 PolarHBondContact O-N 2.91Å; R25-V27 VanDerWaalsContact C-N 3.31Å; R25-V27 PolarHBondContact O-N 3.36Å; R25-Y28 PolarHBondContact O-N 2.91Å; R25-D29 WeakPolarHBondContact O-CB 3.24Å; R25-D29 VanDerWaalsContact O-CG 3.27Å; R25-D29 PolarHBondContact O-N 3.03Å; R25-P148 HydrophobicContact CG-CB 4.34Å; R25-P148 PolarHBondContact NH1-O 3.35Å; R25-F149 HydrophobicContact CB-CE1 4.44Å; R25-F149 HydrophobicContact CG-CD1 4.19Å; R25-F149 HydrophobicContact CG-CE1 3.65Å; R25-F149 HydrophobicContact CG-CZ 3.91Å; R25-T165 VanDerWaalsContact CZ-OG1 3.3Å; R25-T165 PolarHBondContact NH1-OG1 2.93Å; R25-T165 PolarHBondContact NH2-OG1 2.83Å
26A93.9Very high94Very high60 Ų6052.1 Ų52.150%0.49628%0.279SS..Hα-helixtrans-60.8-39.4178.800000112.4C22 L23 S30C22-A26 WeakPolarHBondContact O-CB 3.37Å; C22-A26 PolarHBondContact O-N 3.28Å; L23-A26 PolarHBondContact O-N 3.17Å; A26-S30 WeakPolarHBondContact O-CB 3.48Å; A26-S30 PolarHBondContact O-N 3.24Å; A26-S30 VanDerWaalsContact O-N 3.12Å
27V94.7Very high93.4Very high4 Ų457.7 Ų57.72%0.02431%0.309CS..Hα-helixtrans-66.2-46.2174.7174.90000111L23 I24 R25 D29 S30 L33 R46 A47L23-V27 WeakPolarHBondContact O-CG2 3.41Å; L23-V27 PolarHBondContact O-N 2.9Å; I24-V27 PolarHBondContact O-N 2.99Å; R25-V27 VanDerWaalsContact C-N 3.31Å; R25-V27 PolarHBondContact O-N 3.36Å; V27-D29 PolarHBondContact O-N 3.41Å; V27-S30 WeakPolarHBondContact O-CB 3.14Å; V27-S30 PolarHBondContact O-N 3.08Å; V27-S30 PolarHBondContact O-OG 2.93Å; V27-L33 HydrophobicContact CG1-CD2 4.05Å; V27-R46 HydrophobicContact CG1-CB 4.1Å; V27-R46 HydrophobicContact CG2-CG 4.28Å; V27-A47 HydrophobicContact CB-CB 3.94Å; V27-A47 HydrophobicContact CG1-CB 3.92Å; V27-A47 HydrophobicContact CG2-CB 4.2Å
28Y94Very high92.7Very high68 Ų6861.3 Ų61.327%0.26732%0.324SS..Hα-helixtrans-58.9-47.4177.8-170.5-101.6000112.3I24 R25 S30 K31 F120 I125 F149I24-Y28 WeakPolarHBondContact O-CB 3.5Å; I24-Y28 PolarHBondContact O-N 3.27Å; R25-Y28 PolarHBondContact O-N 2.91Å; Y28-S30 VanDerWaalsContact C-N 3.26Å; Y28-S30 PolarHBondContact O-N 3.35Å; Y28-K31 PolarHBondContact O-N 2.96Å; Y28-K31 VanDerWaalsContact O-N 3.08Å; Y28-F120 HydrophobicContact CD2-CD2 4.02Å; Y28-F120 AromaticContact CD2-CE2 3.44Å; Y28-F120 HydrophobicContact CD2-CE2 3.44Å; Y28-F120 VanDerWaalsContact CD2-CE2 3.44Å; Y28-F120 AromaticContact CD2-CZ 3.88Å; Y28-F120 HydrophobicContact CD2-CZ 3.88Å; Y28-F120 HydrophobicContact CE2-CE2 4.4Å; Y28-F120 AromaticContact CG-CE2 3.97Å; Y28-F120 HydrophobicContact CG-CE2 3.97Å; Y28-F120 HydrophobicContact CG-CZ 4.37Å; Y28-I125 HydrophobicContact CD2-CG2 3.75Å; Y28-I125 HydrophobicContact CE1-CD1 3.95Å; Y28-I125 HydrophobicContact CE1-CG2 4.12Å; Y28-I125 HydrophobicContact CE2-CG2 3.21Å; Y28-I125 HydrophobicContact CG-CG2 4.39Å; Y28-I125 VanDerWaalsContact CZ-CG2 3.41Å; Y28-F149 HydrophobicContact CD1-CE1 4.07Å; Y28-F149 HydrophobicContact CD1-CZ 4.04Å; Y28-F149 HydrophobicContact CG-CE1 4.36Å; Y28-F149 AromaticContact CG-CZ 3.86Å; Y28-F149 HydrophobicContact CG-CZ 3.86Å
29D92.4Very high91.9Very high116 Ų11659.8 Ų59.862%0.6232%0.324SS*.Hα-helixtrans-65.4-29.7-179.7-69.6-20.1000112.7R25 V27 K31R25-D29 WeakPolarHBondContact O-CB 3.24Å; R25-D29 VanDerWaalsContact O-CG 3.27Å; R25-D29 PolarHBondContact O-N 3.03Å; V27-D29 PolarHBondContact O-N 3.41Å; D29-K31 PolarHBondContact O-N 3.1Å
30S93Very high90.8Very high57 Ų5763.6 Ų63.640%0.39935%0.352SS..Hα-helixtrans-66.8-18.4175.980.30000113.6A26 V27 Y28 D32 R46A26-S30 WeakPolarHBondContact O-CB 3.48Å; A26-S30 PolarHBondContact O-N 3.24Å; A26-S30 VanDerWaalsContact O-N 3.12Å; V27-S30 WeakPolarHBondContact O-CB 3.14Å; V27-S30 PolarHBondContact O-N 3.08Å; V27-S30 PolarHBondContact O-OG 2.93Å; Y28-S30 VanDerWaalsContact C-N 3.26Å; Y28-S30 PolarHBondContact O-N 3.35Å; S30-D32 PolarHBondContact O-N 2.71Å; S30-D32 PolarHBondContact OG-N 3.31Å; S30-D32 PolarHBondContact OG-O 3.39Å; S30-R46 PolarHBondContact OG-NH2 2.83Å
31K89.3Confident89.5Confident189 Ų18968 Ų6882%0.82238%0.376SS*.THydrogen-bonded Turntrans596.6-172.5-53.5-179.2-178.7179.80115.1Y28 D29Y28-K31 PolarHBondContact O-N 2.96Å; Y28-K31 VanDerWaalsContact O-N 3.08Å; D29-K31 PolarHBondContact O-N 3.1Å
32D90.3Very high88.8Confident84 Ų8470.5 Ų70.545%0.44939%0.389SS..  trans-108.487.7173.8175.726.4000108.8S30 A34 R46S30-D32 PolarHBondContact O-N 2.71Å; S30-D32 PolarHBondContact OG-N 3.31Å; S30-D32 PolarHBondContact OG-O 3.39Å; D32-A34 VanDerWaalsContact C-N 3.28Å; D32-A34 PolarHBondContact OD1-N 3.23Å; D32-R46 PolarHBondContact O-NH1 3.3Å; D32-R46 PolarHBondContact O-NH2 3.35Å; D32-R46 IonicContact OD2-NH1 3.66Å; D32-R46 PolarHBondContact OD2-NH1 2.75Å
33L90.3Very high88.5Confident28 Ų2869.7 Ų69.715%0.14738%0.381CS..  trans-76.7-16.7-179.3-58.2-173.1000112.4V27 I35 S45 R46 F120V27-L33 HydrophobicContact CG1-CD2 4.05Å; L33-I35 VanDerWaalsContact C-N 3.33Å; L33-I35 HydrophobicContact CB-CD1 4.23Å; L33-I35 HydrophobicContact CB-CG1 3.78Å; L33-I35 HydrophobicContact CD1-CD1 4.22Å; L33-I35 PolarHBondContact O-N 3.49Å; L33-S45 CarbonylContact O-C 3.55Å; L33-S45 WeakPolarHBondContact O-CA 3.42Å; L33-S45 WeakPolarHBondContact O-CB 3.46Å; L33-R46 PolarHBondContact O-N 2.72Å; L33-F120 HydrophobicContact CD1-CE1 4.39Å; L33-F120 HydrophobicContact CD2-CE1 3.68Å; L33-F120 HydrophobicContact CD2-CZ 3.91Å
34A90.5Very high88.4Confident41 Ų4168.6 Ų68.634%0.33937%0.374SS..  trans38.659.3-17400000113.1D32 R46 R49D32-A34 VanDerWaalsContact C-N 3.28Å; D32-A34 PolarHBondContact OD1-N 3.23Å; A34-R46 HydrophobicContact CB-CB 4.23Å; A34-R49 PolarHBondContact O-NH2 2.64Å
35I88Confident88.3Confident86 Ų8668.6 Ų68.644%0.44137%0.374SS..  trans-69.2134.4-176-58.3167.9000110L33 L43 Q44 T121L33-I35 VanDerWaalsContact C-N 3.33Å; L33-I35 HydrophobicContact CB-CD1 4.23Å; L33-I35 HydrophobicContact CB-CG1 3.78Å; L33-I35 HydrophobicContact CD1-CD1 4.22Å; L33-I35 PolarHBondContact O-N 3.49Å; I35-L43 HydrophobicContact CG2-CB 4.47Å; I35-L43 HydrophobicContact CG2-CD2 4.15Å; I35-Q44 CarbonylContact C-O 3.59Å; I35-Q44 WeakPolarHBondContact CA-O 3.5Å; I35-T121 HydrophobicContact CD1-CG2 3.54Å; I35-T121 HydrophobicContact CG1-CG2 3.98Å
36I89Confident88.2Confident83 Ų8369 Ų6943%0.42638%0.376SS..EExtended strand (participates in β ladder)trans-114.6129.3169.5-58.8-179.1000106.8Q44 R49I36-Q44 PolarHBondContact N-O 2.84Å; I36-Q44 PolarHBondContact O-N 3.43Å; I36-R49 VanDerWaalsContact CD1-NH1 3.33Å
37D86.5Confident88.3Confident118 Ų11866.1 Ų66.163%0.63135%0.352SS*.EExtended strand (participates in β ladder)trans-87.3111.9171-173.4-21.2000108.2G39 L43D37-G39 PolarHBondContact OD1-N 2.89Å; D37-L43 HydrophobicContact CB-CD2 4.37Å
38K84.3Confident88.4Confident76 Ų7665.9 Ų65.933%0.3335%0.351SS..EExtended strand (participates in β ladder)trans-90.4-5.8178.9-61.9-177-61.3-176.80111.9D42 Q44 E72K38-D42 WeakPolarHBondContact CA-O 3.35Å; K38-D42 HydrophobicContact CB-CB 4.18Å; K38-D42 WeakPolarHBondContact CB-O 3.42Å; K38-D42 WeakPolarHBondContact CB-OD2 3.25Å; K38-D42 WeakPolarHBondContact CE-OD1 3.39Å; K38-D42 WeakPolarHBondContact CE-OD2 3.42Å; K38-D42 PolarHBondContact N-O 3.39Å; K38-D42 IonicContact NZ-OD1 2.65Å; K38-D42 PolarHBondContact NZ-OD1 3.32Å; K38-D42 IonicContact NZ-OD2 2.76Å; K38-Q44 HydrophobicContact CD-CB 3.81Å; K38-Q44 HydrophobicContact CG-CB 4.17Å; K38-E72 IonicContact NZ-OE1 3.75Å; K38-E72 IonicContact NZ-OE2 3.93Å; K38-E72 PolarHBondContact NZ-OE2 3.48Å
39G80.1Confident88.5Confident33 Ų3364.1 Ų64.134%0.3434%0.344SS..EExtended strand (participates in β ladder)trans143.9-162.7-178.600000113.5D37 D41 D42D37-G39 PolarHBondContact OD1-N 2.89Å; G39-D41 PolarHBondContact O-N 3.35Å; G39-D42 PolarHBondContact O-N 3.09Å; G39-D42 VanDerWaalsContact O-N 3.15Å
40V74.5Confident88.7Confident142 Ų14259.8 Ų59.886%0.86132%0.321SS*.THydrogen-bonded Turntrans-61.8111.7-176-1750000110.5D42V40-D42 PolarHBondContact O-N 2.8Å
41D70.2Confident88.9Confident92 Ų9257.1 Ų57.149%0.49230%0.302SS..THydrogen-bonded Turntrans58.922.4-178.2-68.4-56000114.9G39 K118G39-D41 PolarHBondContact O-N 3.35Å; D41-K118 IonicContact OD1-NZ 2.64Å; D41-K118 PolarHBondContact OD1-NZ 2.87Å
42D81.9Confident89.3Confident53 Ų5348.4 Ų48.428%0.28326%0.264SS..EExtended strand (participates in β ladder)trans-117.890.4-178-170.413.5000110.6K38 G39 V40K38-D42 WeakPolarHBondContact CA-O 3.35Å; K38-D42 HydrophobicContact CB-CB 4.18Å; K38-D42 WeakPolarHBondContact CB-O 3.42Å; K38-D42 WeakPolarHBondContact CB-OD2 3.25Å; K38-D42 WeakPolarHBondContact CE-OD1 3.39Å; K38-D42 WeakPolarHBondContact CE-OD2 3.42Å; K38-D42 PolarHBondContact N-O 3.39Å; K38-D42 IonicContact NZ-OD1 2.65Å; K38-D42 PolarHBondContact NZ-OD1 3.32Å; K38-D42 IonicContact NZ-OD2 2.76Å; G39-D42 PolarHBondContact O-N 3.09Å; G39-D42 VanDerWaalsContact O-N 3.15Å; V40-D42 PolarHBondContact O-N 2.8Å
43L90Very high89.5Confident42 Ų4245.9 Ų45.922%0.2225%0.248CC..EExtended strand (participates in β ladder)trans-99.3147.2-179.9-60.8179000110.3I35 D37 T117 T121I35-L43 HydrophobicContact CG2-CB 4.47Å; I35-L43 HydrophobicContact CG2-CD2 4.15Å; D37-L43 HydrophobicContact CB-CD2 4.37Å; L43-T117 HydrophobicContact CB-CG2 4.2Å; L43-T117 WeakPolarHBondContact O-CG2 3.1Å; L43-T121 HydrophobicContact CD1-CG2 4.09Å
44Q92.6Very high89.8Confident16 Ų1644.9 Ų44.98%0.07524%0.243CC..EExtended strand (participates in β ladder)trans-132.9123.1171.7-177.8-162.482.800109.7I35 I36 K38 D48 R49 E72I35-Q44 CarbonylContact C-O 3.59Å; I35-Q44 WeakPolarHBondContact CA-O 3.5Å; I36-Q44 PolarHBondContact N-O 2.84Å; I36-Q44 PolarHBondContact O-N 3.43Å; K38-Q44 HydrophobicContact CD-CB 3.81Å; K38-Q44 HydrophobicContact CG-CB 4.17Å; Q44-D48 HydrophobicContact CG-CB 4.09Å; Q44-R49 HydrophobicContact CG-CG 4.08Å; Q44-R49 VanDerWaalsContact OE1-CD 3.25Å; Q44-E72 WeakPolarHBondContact CG-OE2 3.38Å; Q44-E72 PolarHBondContact NE2-OE2 3.01Å
45S93.4Very high90.2Very high0 Ų042.9 Ų42.90%023%0.227CC..  trans-98.1174.4174.185.30000111.9L33 A47 D48 R49L33-S45 CarbonylContact O-C 3.55Å; L33-S45 WeakPolarHBondContact O-CA 3.42Å; L33-S45 WeakPolarHBondContact O-CB 3.46Å; S45-A47 PolarHBondContact O-N 3.39Å; S45-A47 WeakPolarHBondContact OG-CB 3.2Å; S45-A47 PolarHBondContact OG-N 2.82Å; S45-D48 VanDerWaalsContact CA-OD2 3.22Å; S45-D48 WeakPolarHBondContact CA-OD2 3.14Å; S45-D48 WeakPolarHBondContact CB-OD2 3.36Å; S45-D48 PolarHBondContact N-OD2 3.17Å; S45-D48 PolarHBondContact O-N 2.63Å; S45-D48 PolarHBondContact OG-OD2 2.67Å; S45-R49 PolarHBondContact O-N 3.36Å; S45-R49 PolarHBondContact O-NH1 2.99Å
46R93.8Very high90.6Very high60 Ų6040.1 Ų40.123%0.22621%0.214CC..Hα-helixtrans-59.1-32.1168.8-175.2173.875.7-147.3-2.4111.7V27 S30 D32 L33 A34 R49 D50V27-R46 HydrophobicContact CG1-CB 4.1Å; V27-R46 HydrophobicContact CG2-CG 4.28Å; S30-R46 PolarHBondContact OG-NH2 2.83Å; D32-R46 PolarHBondContact O-NH1 3.3Å; D32-R46 PolarHBondContact O-NH2 3.35Å; D32-R46 IonicContact OD2-NH1 3.66Å; D32-R46 PolarHBondContact OD2-NH1 2.75Å; L33-R46 PolarHBondContact O-N 2.72Å; A34-R46 HydrophobicContact CB-CB 4.23Å; R46-R49 PolarHBondContact O-N 2.88Å; R46-D50 VanDerWaalsContact CG-OD2 3.28Å; R46-D50 WeakPolarHBondContact CG-OD2 3.34Å; R46-D50 VanDerWaalsContact O-CB 3.3Å; R46-D50 WeakPolarHBondContact O-CB 3.31Å; R46-D50 VanDerWaalsContact O-CG 3.27Å; R46-D50 PolarHBondContact O-N 3.36Å
47A96.4Very high90.9Very high0 Ų037.7 Ų37.70%020%0.201CC..Hα-helixtrans-65-41.5-179.400000111.6I24 V27 S45 S51 L114 F120I24-A47 HydrophobicContact CG1-CB 4.15Å; V27-A47 HydrophobicContact CB-CB 3.94Å; V27-A47 HydrophobicContact CG1-CB 3.92Å; V27-A47 HydrophobicContact CG2-CB 4.2Å; S45-A47 PolarHBondContact O-N 3.39Å; S45-A47 WeakPolarHBondContact OG-CB 3.2Å; S45-A47 PolarHBondContact OG-N 2.82Å; A47-S51 WeakPolarHBondContact O-CB 3.24Å; A47-S51 PolarHBondContact O-N 2.83Å; A47-S51 PolarHBondContact O-OG 3.36Å; A47-L114 HydrophobicContact CB-CD1 3.54Å; A47-F120 HydrophobicContact CB-CE1 3.87Å; A47-F120 HydrophobicContact CB-CZ 4Å
48D96.7Very high91.4Very high0 Ų032.1 Ų32.10%017%0.171CC..Hα-helixtrans-60.3-51.4176.3-45.6-116.3000110Q44 S45 D50 Q52 E72 P113 L114 T117Q44-D48 HydrophobicContact CG-CB 4.09Å; S45-D48 VanDerWaalsContact CA-OD2 3.22Å; S45-D48 WeakPolarHBondContact CA-OD2 3.14Å; S45-D48 WeakPolarHBondContact CB-OD2 3.36Å; S45-D48 PolarHBondContact N-OD2 3.17Å; S45-D48 PolarHBondContact O-N 2.63Å; S45-D48 PolarHBondContact OG-OD2 2.67Å; D48-D50 PolarHBondContact O-N 3.25Å; D48-Q52 WeakPolarHBondContact O-CB 3.19Å; D48-Q52 PolarHBondContact O-N 2.97Å; D48-E72 HydrophobicContact CB-CG 4.24Å; D48-E72 WeakPolarHBondContact CB-OE1 3.45Å; D48-P113 HydrophobicContact CB-CG 4.27Å; D48-P113 VanDerWaalsContact O-CB 3.31Å; D48-P113 WeakPolarHBondContact O-CB 3.44Å; D48-P113 WeakPolarHBondContact O-CG 3.43Å; D48-L114 HydrophobicContact CB-CB 4.38Å; D48-T117 VanDerWaalsContact OD1-CG2 3.23Å; D48-T117 WeakPolarHBondContact OD1-CG2 3.45Å; D48-T117 PolarHBondContact OD1-OG1 3.5Å
49R95.6Very high92.1Very high31 Ų3128.5 Ų28.512%0.11716%0.155CC..Hα-helixtrans-61.7-47.6-180-65.6-172.1-67.6-81.70.7112.6A34 I36 Q44 S45 R46 Q52 R53 L75A34-R49 PolarHBondContact O-NH2 2.64Å; I36-R49 VanDerWaalsContact CD1-NH1 3.33Å; Q44-R49 HydrophobicContact CG-CG 4.08Å; Q44-R49 VanDerWaalsContact OE1-CD 3.25Å; S45-R49 PolarHBondContact O-N 3.36Å; S45-R49 PolarHBondContact O-NH1 2.99Å; R46-R49 PolarHBondContact O-N 2.88Å; R49-Q52 PolarHBondContact O-N 2.89Å; R49-R53 WeakPolarHBondContact O-CB 3.38Å; R49-R53 VanDerWaalsContact O-CG 3.31Å; R49-R53 WeakPolarHBondContact O-CG 3.45Å; R49-R53 PolarHBondContact O-N 3.08Å; R49-L75 HydrophobicContact CB-CD1 4.2Å; R49-L75 HydrophobicContact CG-CD1 4.43Å; R49-L75 HydrophobicContact CG-CD2 4.27Å
50D95.9Very high92.8Very high25 Ų2530.2 Ų30.213%0.13416%0.157CC..Hα-helixtrans-69.1-40.3-175.6-72.6-6.7000111.5R46 D48 R53 C54 L80R46-D50 VanDerWaalsContact CG-OD2 3.28Å; R46-D50 WeakPolarHBondContact CG-OD2 3.34Å; R46-D50 VanDerWaalsContact O-CB 3.3Å; R46-D50 WeakPolarHBondContact O-CB 3.31Å; R46-D50 VanDerWaalsContact O-CG 3.27Å; R46-D50 PolarHBondContact O-N 3.36Å; D48-D50 PolarHBondContact O-N 3.25Å; D50-R53 IonicContact OD1-NH1 3.81Å; D50-R53 PolarHBondContact OD1-NH1 3.31Å; D50-C54 WeakPolarHBondContact O-CB 3.17Å; D50-C54 PolarHBondContact O-N 3.32Å; D50-L80 HydrophobicContact CB-CD1 3.59Å; D50-L80 VanDerWaalsContact O-CD1 3.3Å; D50-L80 WeakPolarHBondContact O-CD1 3.06Å
51S96.8Very high93.8Very high0 Ų027.7 Ų27.70%014%0.136CC..Hα-helixtrans-63.2-46.5173.7-70.40000111.9A20 I24 A47 R53 C54 I55 P113A20-S51 PolarHBondContact O-OG 3.22Å; I24-S51 WeakPolarHBondContact CG1-OG 3.33Å; A47-S51 WeakPolarHBondContact O-CB 3.24Å; A47-S51 PolarHBondContact O-N 2.83Å; A47-S51 PolarHBondContact O-OG 3.36Å; S51-R53 PolarHBondContact O-N 2.76Å; S51-C54 PolarHBondContact O-N 2.98Å; S51-I55 WeakPolarHBondContact O-CD1 3.41Å; S51-I55 WeakPolarHBondContact O-CG1 3.48Å; S51-I55 PolarHBondContact O-N 3.18Å; S51-P113 WeakPolarHBondContact CB-O 3.47Å
52Q97.6Very high95.1Very high7 Ų725.1 Ų25.13%0.03312%0.121CC..Hα-helixtrans-62.2-45.8177.9-176.4160.1-60.700111.7D48 R49 C54 I55 V56 G70 E71 G73 L75 P113D48-Q52 WeakPolarHBondContact O-CB 3.19Å; D48-Q52 PolarHBondContact O-N 2.97Å; R49-Q52 PolarHBondContact O-N 2.89Å; Q52-C54 VanDerWaalsContact C-N 3.31Å; Q52-C54 PolarHBondContact O-N 2.67Å; Q52-I55 PolarHBondContact O-N 2.83Å; Q52-V56 HydrophobicContact CG-CG2 3.71Å; Q52-V56 WeakPolarHBondContact O-CB 3.12Å; Q52-V56 VanDerWaalsContact O-CG2 3.31Å; Q52-V56 WeakPolarHBondContact O-CG2 3.29Å; Q52-V56 PolarHBondContact O-N 3.49Å; Q52-G70 VanDerWaalsContact OE1-C 3.28Å; Q52-E71 VanDerWaalsContact OE1-N 3.13Å; Q52-G73 PolarHBondContact NE2-O 2.94Å; Q52-L75 HydrophobicContact CB-CD1 3.88Å; Q52-L75 HydrophobicContact CG-CD1 4.05Å; Q52-P113 HydrophobicContact CB-CB 3.77Å; Q52-P113 HydrophobicContact CB-CG 3.96Å
53R96.2Very high95.8Very high31 Ų3123.3 Ų23.312%0.11711%0.111CC..Hα-helixtrans-55.7-47.6175.7-76.1-178.9-168.8118.9-2.1111.2R49 D50 S51 Q57 L75 D76 L80R49-R53 WeakPolarHBondContact O-CB 3.38Å; R49-R53 VanDerWaalsContact O-CG 3.31Å; R49-R53 WeakPolarHBondContact O-CG 3.45Å; R49-R53 PolarHBondContact O-N 3.08Å; D50-R53 IonicContact OD1-NH1 3.81Å; D50-R53 PolarHBondContact OD1-NH1 3.31Å; S51-R53 PolarHBondContact O-N 2.76Å; R53-Q57 VanDerWaalsContact O-CB 3.24Å; R53-Q57 WeakPolarHBondContact O-CB 3.38Å; R53-Q57 WeakPolarHBondContact O-CG 3.38Å; R53-Q57 PolarHBondContact O-N 2.73Å; R53-Q57 VanDerWaalsContact O-N 3.17Å; R53-L75 HydrophobicContact CG-CB 4.23Å; R53-L75 HydrophobicContact CG-CD1 4.1Å; R53-D76 WeakPolarHBondContact CD-O 3.43Å; R53-D76 IonicContact CZ-OD2 3.65Å; R53-D76 PolarHBondContact NE-O 2.76Å; R53-D76 IonicContact NE-OD1 2.71Å; R53-D76 IonicContact NE-OD2 2.72Å; R53-D76 IonicContact NH2-OD1 2.84Å; R53-D76 IonicContact NH2-OD2 3.66Å; R53-D76 PolarHBondContact NH2-OD2 3.39Å; R53-L80 HydrophobicContact CB-CD1 4.04Å
54C96.6Very high96.2Very high6 Ų626 Ų264%0.04113%0.131CC..Hα-helixtrans-60.4-49.6179.5-175.30000111.9L23 D50 S51 Q52 S58L23-C54 HydrophobicContact CD1-CB 3.67Å; D50-C54 WeakPolarHBondContact O-CB 3.17Å; D50-C54 PolarHBondContact O-N 3.32Å; S51-C54 PolarHBondContact O-N 2.98Å; Q52-C54 VanDerWaalsContact C-N 3.31Å; Q52-C54 PolarHBondContact O-N 2.67Å; C54-S58 WeakPolarHBondContact O-CB 3.28Å; C54-S58 PolarHBondContact O-N 2.92Å; C54-S58 PolarHBondContact O-OG 2.73Å
55I97.7Very high96.3Very high0 Ų028 Ų280%016%0.155CC..Hα-helixtrans-66.9-55.9-176.6-67.7160.2000110.9L16 A20 S51 Q52 Q57 S58 L59 V111 V130 I132L16-I55 HydrophobicContact CB-CG1 4.21Å; A20-I55 HydrophobicContact CB-CD1 3.81Å; A20-I55 HydrophobicContact CB-CG1 4.25Å; S51-I55 WeakPolarHBondContact O-CD1 3.41Å; S51-I55 WeakPolarHBondContact O-CG1 3.48Å; S51-I55 PolarHBondContact O-N 3.18Å; Q52-I55 PolarHBondContact O-N 2.83Å; I55-Q57 PolarHBondContact O-N 2.89Å; I55-S58 PolarHBondContact O-N 3.46Å; I55-L59 HydrophobicContact CG2-CD1 3.81Å; I55-L59 HydrophobicContact CG2-CG 4.44Å; I55-L59 WeakPolarHBondContact O-CB 3.45Å; I55-L59 WeakPolarHBondContact O-CG 3.21Å; I55-L59 PolarHBondContact O-N 2.89Å; I55-V111 HydrophobicContact CB-CG1 4.38Å; I55-V111 HydrophobicContact CD1-CG1 3.96Å; I55-V111 HydrophobicContact CG2-CG1 3.97Å; I55-V111 HydrophobicContact CG2-CG2 3.82Å; I55-V130 HydrophobicContact CD1-CG1 3.82Å; I55-I132 HydrophobicContact CD1-CD1 3.95Å; I55-I132 HydrophobicContact CD1-CG1 4.33Å; I55-I132 HydrophobicContact CG1-CD1 4.08Å; I55-I132 HydrophobicContact CG2-CD1 3.9Å; I55-I132 HydrophobicContact CG2-CG1 4.41Å
56V96.8Very high96.6Very high28 Ų2828.3 Ų28.317%0.1716%0.157CC..Hα-helixtrans-65-46-171.6175.80000111.2Q52 S58 L59 N60 V68Q52-V56 HydrophobicContact CG-CG2 3.71Å; Q52-V56 WeakPolarHBondContact O-CB 3.12Å; Q52-V56 VanDerWaalsContact O-CG2 3.31Å; Q52-V56 WeakPolarHBondContact O-CG2 3.29Å; Q52-V56 PolarHBondContact O-N 3.49Å; V56-S58 VanDerWaalsContact C-N 3.35Å; V56-S58 PolarHBondContact O-N 2.86Å; V56-L59 PolarHBondContact O-N 3.36Å; V56-N60 WeakPolarHBondContact O-CB 3.38Å; V56-N60 VanDerWaalsContact O-CG 3.32Å; V56-N60 PolarHBondContact O-N 3.19Å; V56-N60 PolarHBondContact O-ND2 3.25Å; V56-V68 HydrophobicContact CB-CG1 4.42Å; V56-V68 HydrophobicContact CG1-CB 4.43Å; V56-V68 HydrophobicContact CG1-CG1 4.31Å; V56-V68 HydrophobicContact CG2-CG1 3.9Å
57Q95.7Very high96.7Very high32 Ų3228.5 Ų28.515%0.1516%0.16CC..Hα-helixtrans-66.1-39.9179.9-66.2177.819.400112.3R53 I55 N60 E61 P77 R82R53-Q57 VanDerWaalsContact O-CB 3.24Å; R53-Q57 WeakPolarHBondContact O-CB 3.38Å; R53-Q57 WeakPolarHBondContact O-CG 3.38Å; R53-Q57 PolarHBondContact O-N 2.73Å; R53-Q57 VanDerWaalsContact O-N 3.17Å; I55-Q57 PolarHBondContact O-N 2.89Å; Q57-N60 PolarHBondContact O-N 3.38Å; Q57-E61 WeakPolarHBondContact O-CB 3.49Å; Q57-E61 PolarHBondContact O-N 3.03Å; Q57-P77 VanDerWaalsContact NE2-C 3.32Å; Q57-P77 PolarHBondContact NE2-O 3.44Å; Q57-R82 HydrophobicContact CB-CG 4.16Å
58S97.5Very high96.8Very high0 Ų029.8 Ų29.80%017%0.168CC..Hα-helixtrans-66.3-42.9178.3-62.40000111.3L16 C54 I55 V56 E61 I62 S83L16-S58 WeakPolarHBondContact CD2-OG 3.21Å; C54-S58 WeakPolarHBondContact O-CB 3.28Å; C54-S58 PolarHBondContact O-N 2.92Å; C54-S58 PolarHBondContact O-OG 2.73Å; I55-S58 PolarHBondContact O-N 3.46Å; V56-S58 VanDerWaalsContact C-N 3.35Å; V56-S58 PolarHBondContact O-N 2.86Å; S58-E61 PolarHBondContact O-N 2.81Å; S58-I62 WeakPolarHBondContact O-CD1 3.44Å; S58-I62 WeakPolarHBondContact O-CG1 3.25Å; S58-I62 PolarHBondContact O-N 3.39Å; S58-S83 VanDerWaalsContact CB-O 3.29Å; S58-S83 WeakPolarHBondContact CB-O 3.46Å; S58-S83 PolarHBondContact OG-N 3.33Å
59L97.7Very high96.9Very high0 Ų031.1 Ų31.10%018%0.175CC..Hα-helixtrans-61.6-44.6175.7-75.5174.8000112A12 L16 I55 V56 E61 I62 F63 L66 V68 V109A12-L59 HydrophobicContact CB-CD2 4.15Å; L16-L59 HydrophobicContact CD1-CD2 3.81Å; L16-L59 HydrophobicContact CD1-CG 3.7Å; I55-L59 HydrophobicContact CG2-CD1 3.81Å; I55-L59 HydrophobicContact CG2-CG 4.44Å; I55-L59 WeakPolarHBondContact O-CB 3.45Å; I55-L59 WeakPolarHBondContact O-CG 3.21Å; I55-L59 PolarHBondContact O-N 2.89Å; V56-L59 PolarHBondContact O-N 3.36Å; L59-E61 VanDerWaalsContact C-N 3.29Å; L59-E61 PolarHBondContact O-N 3.07Å; L59-I62 PolarHBondContact O-N 3.3Å; L59-F63 HydrophobicContact CD2-CD2 4.29Å; L59-F63 HydrophobicContact CD2-CE2 4.29Å; L59-F63 PolarHBondContact O-N 3.09Å; L59-L66 HydrophobicContact CB-CD2 4.42Å; L59-V68 HydrophobicContact CB-CG2 3.97Å; L59-V68 HydrophobicContact CD1-CG1 4.03Å; L59-V68 HydrophobicContact CD1-CG2 4.12Å; L59-V109 HydrophobicContact CD1-CB 4.48Å; L59-V109 HydrophobicContact CD1-CG1 3.84Å
60N95.5Very high97Very high70 Ų7030.2 Ų30.237%0.37418%0.175SC..Hα-helixtrans-64.6-33.2177.4-73.8-21.4000112.7V56 Q57 F63 P64V56-N60 WeakPolarHBondContact O-CB 3.38Å; V56-N60 VanDerWaalsContact O-CG 3.32Å; V56-N60 PolarHBondContact O-N 3.19Å; V56-N60 PolarHBondContact O-ND2 3.25Å; Q57-N60 PolarHBondContact O-N 3.38Å; N60-F63 CarbonylContact O-C 3.51Å; N60-P64 WeakPolarHBondContact O-CA 3.19Å
61E95.9Very high97Very high89 Ų8930.7 Ų30.742%0.41618%0.176SC..Hα-helixtrans-72.6-42.4175.4-175.3167151.600112.3Q57 S58 L59 R82 T84Q57-E61 WeakPolarHBondContact O-CB 3.49Å; Q57-E61 PolarHBondContact O-N 3.03Å; S58-E61 PolarHBondContact O-N 2.81Å; L59-E61 VanDerWaalsContact C-N 3.29Å; L59-E61 PolarHBondContact O-N 3.07Å; E61-R82 WeakPolarHBondContact OE2-CD 3.23Å; E61-R82 IonicContact OE2-CZ 3.77Å; E61-R82 IonicContact OE2-NE 3.78Å; E61-R82 IonicContact OE2-NH1 2.65Å; E61-R82 PolarHBondContact OE2-NH1 3.21Å; E61-T84 HydrophobicContact CG-CG2 4.34Å
62I97.2Very high96.9Very high37 Ų3731.5 Ų31.519%0.1918%0.18CC..Hα-helixtrans-71.2-38.6178.9-59.6160.3000111A12 S58 L59 T84 L86A12-I62 HydrophobicContact CB-CD1 3.88Å; S58-I62 WeakPolarHBondContact O-CD1 3.44Å; S58-I62 WeakPolarHBondContact O-CG1 3.25Å; S58-I62 PolarHBondContact O-N 3.39Å; L59-I62 PolarHBondContact O-N 3.3Å; I62-T84 HydrophobicContact CG1-CG2 4.22Å; I62-L86 HydrophobicContact CG2-CD2 4.39Å
63F97.5Very high96.6Very high15 Ų1533.2 Ų33.27%0.06620%0.199CC..SBendtrans-128.676-175.1-50.8-74.4000111L5 K8 I9 A12 L59 N60 G65 L66 L104L5-F63 HydrophobicContact CD1-CD1 4.06Å; L5-F63 HydrophobicContact CD1-CE1 4.19Å; K8-F63 HydrophobicContact CB-CE1 3.87Å; K8-F63 HydrophobicContact CB-CZ 3.86Å; I9-F63 HydrophobicContact CB-CE2 4.31Å; I9-F63 HydrophobicContact CB-CZ 4.35Å; I9-F63 HydrophobicContact CG1-CD1 4.12Å; I9-F63 HydrophobicContact CG1-CD2 4.01Å; I9-F63 HydrophobicContact CG1-CE1 3.89Å; I9-F63 HydrophobicContact CG1-CE2 3.77Å; I9-F63 HydrophobicContact CG1-CG 4.18Å; I9-F63 HydrophobicContact CG1-CZ 3.72Å; A12-F63 HydrophobicContact CB-CE2 3.79Å; A12-F63 HydrophobicContact CB-CZ 4.29Å; L59-F63 HydrophobicContact CD2-CD2 4.29Å; L59-F63 HydrophobicContact CD2-CE2 4.29Å; L59-F63 PolarHBondContact O-N 3.09Å; N60-F63 CarbonylContact O-C 3.51Å; F63-G65 PolarHBondContact O-N 3.06Å; F63-L66 HydrophobicContact CB-CB 3.82Å; F63-L66 HydrophobicContact CB-CD2 3.99Å; F63-L66 HydrophobicContact CD2-CD2 4Å; F63-L66 HydrophobicContact CG-CD2 4.29Å; F63-L66 VanDerWaalsContact O-CB 3.25Å; F63-L66 WeakPolarHBondContact O-CB 3.26Å; F63-L66 PolarHBondContact O-N 2.93Å; F63-L104 HydrophobicContact CB-CD1 4.49Å
64P96.8Very high96.3Very high100 Ų10040.1 Ų40.165%0.64924%0.239SC*.THydrogen-bonded Turntrans-54.8124.6176-26.135.2000111.4N60 L104N60-P64 WeakPolarHBondContact O-CA 3.19Å; P64-L104 WeakPolarHBondContact O-CD2 3.47Å
65G96.3Very high96Very high56 Ų5642.2 Ų42.258%0.57725%0.249SC*.THydrogen-bonded Turntrans95.2-5.7-177.500000115.3F63 H67F63-G65 PolarHBondContact O-N 3.06Å; G65-H67 PolarHBondContact O-N 3.32Å
66L97.8Very high95.6Very high7 Ų746.6 Ų46.64%0.03727%0.273CS..  trans-64.1133.6173.7-178.261.6000110.8I9 L59 F63 V68 L104 I107 V109I9-L66 HydrophobicContact CD1-CD1 3.99Å; I9-L66 HydrophobicContact CD1-CD2 4.33Å; I9-L66 HydrophobicContact CG2-CD2 4.46Å; L59-L66 HydrophobicContact CB-CD2 4.42Å; F63-L66 HydrophobicContact CB-CB 3.82Å; F63-L66 HydrophobicContact CB-CD2 3.99Å; F63-L66 HydrophobicContact CD2-CD2 4Å; F63-L66 HydrophobicContact CG-CD2 4.29Å; F63-L66 VanDerWaalsContact O-CB 3.25Å; F63-L66 WeakPolarHBondContact O-CB 3.26Å; F63-L66 PolarHBondContact O-N 2.93Å; L66-V68 HydrophobicContact CB-CG2 4.49Å; L66-V68 HydrophobicContact CD2-CG2 4.03Å; L66-V68 HydrophobicContact CG-CG2 3.97Å; L66-V68 PolarHBondContact O-N 3.33Å; L66-L104 HydrophobicContact CB-CD1 4.04Å; L66-L104 HydrophobicContact CD1-CD1 3.77Å; L66-L104 HydrophobicContact CG-CD1 4.48Å; L66-I107 HydrophobicContact CD1-CB 4.13Å; L66-I107 HydrophobicContact CD1-CG2 3.73Å; L66-V109 HydrophobicContact CD1-CG2 4.24Å; L66-V109 HydrophobicContact CD2-CG2 3.92Å; L66-V109 HydrophobicContact CG-CG2 4.32Å
67H97.6Very high94.9Very high65 Ų6549.3 Ų49.330%0.30129%0.291SS..EExtended strand (participates in β ladder)trans-77.9116.7170.9-63.4-58.3000110.2G65 V108 V109 L287G65-H67 PolarHBondContact O-N 3.32Å; H67-V108 HydrophobicContact CB-CB 4.49Å; H67-V108 HydrophobicContact CB-CG1 4.29Å; H67-V108 HydrophobicContact CB-CG2 4.17Å; H67-V109 PolarHBondContact O-N 3.34Å; H67-L287 HydrophobicContact CB-CD1 4.06Å
68V97.8Very high94.3Very high27 Ų2749.1 Ų49.116%0.16430%0.298CS..EExtended strand (participates in β ladder)trans-123.8120.1175.9-1700000108.8V56 L59 L66 V109 V111V56-V68 HydrophobicContact CB-CG1 4.42Å; V56-V68 HydrophobicContact CG1-CB 4.43Å; V56-V68 HydrophobicContact CG1-CG1 4.31Å; V56-V68 HydrophobicContact CG2-CG1 3.9Å; L59-V68 HydrophobicContact CB-CG2 3.97Å; L59-V68 HydrophobicContact CD1-CG1 4.03Å; L59-V68 HydrophobicContact CD1-CG2 4.12Å; L66-V68 HydrophobicContact CB-CG2 4.49Å; L66-V68 HydrophobicContact CD2-CG2 4.03Å; L66-V68 HydrophobicContact CG-CG2 3.97Å; L66-V68 PolarHBondContact O-N 3.33Å; V68-V109 CarbonylContact C-O 3.55Å; V68-V109 WeakPolarHBondContact CA-O 3.36Å; V68-V109 HydrophobicContact CG1-CB 4.33Å; V68-V109 HydrophobicContact CG1-CG1 4.37Å; V68-V109 HydrophobicContact CG2-CB 4.34Å; V68-V111 HydrophobicContact CG1-CG2 3.82Å
69I97.8Very high93.6Very high28 Ų2857.4 Ų57.414%0.14434%0.342CS..EExtended strand (participates in β ladder)trans-113.9113.8178.9-57.3173000107.8V108 V109 W110 V111 W259 L287I69-V108 HydrophobicContact CD1-CG1 3.78Å; I69-V108 HydrophobicContact CG1-CG1 4.14Å; I69-V109 PolarHBondContact N-O 3.37Å; I69-W110 HydrophobicContact CB-CD2 4.41Å; I69-W110 HydrophobicContact CB-CE3 3.85Å; I69-W110 HydrophobicContact CB-CZ3 3.94Å; I69-W110 HydrophobicContact CD1-CE3 4.24Å; I69-W110 HydrophobicContact CD1-CH2 3.5Å; I69-W110 VanDerWaalsContact CD1-CH2 3.5Å; I69-W110 HydrophobicContact CD1-CZ2 3.8Å; I69-W110 HydrophobicContact CD1-CZ3 3.73Å; I69-W110 HydrophobicContact CG1-CZ3 4.45Å; I69-W110 HydrophobicContact CG2-CE3 3.83Å; I69-W110 HydrophobicContact CG2-CH2 4.43Å; I69-W110 HydrophobicContact CG2-CZ3 3.59Å; I69-W110 CarbonylContact O-C 3.59Å; I69-W110 WeakPolarHBondContact O-CA 3.46Å; I69-V111 PolarHBondContact O-N 3.03Å; I69-W259 HydrophobicContact CG2-CE3 4.41Å; I69-W259 HydrophobicContact CG2-CZ3 4.23Å; I69-L287 HydrophobicContact CD1-CD1 4.25Å
70G97.6Very high93Very high11 Ų1159.4 Ų59.411%0.11335%0.352CS..EExtended strand (participates in β ladder)trans-104.5149.5175.800000112.1Q52 E72 G73 V111Q52-G70 VanDerWaalsContact OE1-C 3.28Å; G70-E72 VanDerWaalsContact C-N 3.31Å; G70-E72 PolarHBondContact O-N 3.41Å; G70-G73 PolarHBondContact O-N 3.37Å; G70-V111 WeakPolarHBondContact CA-O 3.2Å
71E97.2Very high92.2Very high35 Ų3561 Ų6116%0.16437%0.367CS..THydrogen-bonded Turntrans-53.4-43.9178.7172.6157.1-146.400114.1Q52 G73 V111 W259Q52-E71 VanDerWaalsContact OE1-N 3.13Å; E71-G73 PolarHBondContact O-N 2.7Å; E71-V111 PolarHBondContact N-O 3.24Å; E71-W259 HydrophobicContact CB-CD2 3.95Å; E71-W259 HydrophobicContact CB-CG 4.04Å; E71-W259 HydrophobicContact CB-CZ2 3.9Å; E71-W259 HydrophobicContact CG-CZ2 3.73Å; E71-W259 PolarHBondContact OE1-NE1 3.31Å; E71-W259 PolarHBondContact OE2-NE1 2.97Å
72E94.7Very high91.9Very high18 Ų1863.4 Ų63.48%0.08437%0.372CS..THydrogen-bonded Turntrans-79.28.6-168.9-51.4-57.6169.100113.9K38 Q44 D48 G70 L75 P113K38-E72 IonicContact NZ-OE1 3.75Å; K38-E72 IonicContact NZ-OE2 3.93Å; K38-E72 PolarHBondContact NZ-OE2 3.48Å; Q44-E72 WeakPolarHBondContact CG-OE2 3.38Å; Q44-E72 PolarHBondContact NE2-OE2 3.01Å; D48-E72 HydrophobicContact CB-CG 4.24Å; D48-E72 WeakPolarHBondContact CB-OE1 3.45Å; G70-E72 VanDerWaalsContact C-N 3.31Å; G70-E72 PolarHBondContact O-N 3.41Å; E72-L75 HydrophobicContact CB-CD1 4.04Å; E72-L75 HydrophobicContact CB-CD2 4.1Å; E72-L75 HydrophobicContact CB-CG 4.22Å; E72-P113 HydrophobicContact CG-CG 3.99Å
73G91.6Very high91.7Very high42 Ų4262.1 Ų62.143%0.43337%0.366SS..  trans64.6-151.7-177.800000113Q52 G70 E71 L75Q52-G73 PolarHBondContact NE2-O 2.94Å; G70-G73 PolarHBondContact O-N 3.37Å; E71-G73 PolarHBondContact O-N 2.7Å; G73-L75 PolarHBondContact O-N 2.69Å
74D89.8Confident91.6Very high176 Ų17665.6 Ų65.694%0.94139%0.389SS*.SBendtrans-75.3109.3178.9-69.2-34.6000110.5
75L90.1Very high91.5Very high51 Ų5166 Ų6627%0.26738%0.382SS..  trans-97.5149.4173.2-61.9178.6000110.5R49 Q52 R53 E72 G73R49-L75 HydrophobicContact CB-CD1 4.2Å; R49-L75 HydrophobicContact CG-CD1 4.43Å; R49-L75 HydrophobicContact CG-CD2 4.27Å; Q52-L75 HydrophobicContact CB-CD1 3.88Å; Q52-L75 HydrophobicContact CG-CD1 4.05Å; R53-L75 HydrophobicContact CG-CB 4.23Å; R53-L75 HydrophobicContact CG-CD1 4.1Å; E72-L75 HydrophobicContact CB-CD1 4.04Å; E72-L75 HydrophobicContact CB-CD2 4.1Å; E72-L75 HydrophobicContact CB-CG 4.22Å; G73-L75 PolarHBondContact O-N 2.69Å
76D89.5Confident91.6Very high92 Ų9265.6 Ų65.649%0.49237%0.366SS..  trans-59.6151.7166.472.694.8000110.3R53 G78R53-D76 WeakPolarHBondContact CD-O 3.43Å; R53-D76 IonicContact CZ-OD2 3.65Å; R53-D76 PolarHBondContact NE-O 2.76Å; R53-D76 IonicContact NE-OD1 2.71Å; R53-D76 IonicContact NE-OD2 2.72Å; R53-D76 IonicContact NH2-OD1 2.84Å; R53-D76 IonicContact NH2-OD2 3.66Å; R53-D76 PolarHBondContact NH2-OD2 3.39Å; D76-G78 PolarHBondContact O-N 2.91Å; D76-G78 VanDerWaalsContact O-N 3.1Å; D76-G78 WeakPolarHBondContact OD1-CA 3.42Å; D76-G78 PolarHBondContact OD1-N 3.07Å
77P81Confident91.6Very high84 Ų8467.5 Ų67.555%0.54538%0.377SS..  trans-64.8-19.2-175.123.7-33.2000113.6Q57Q57-P77 VanDerWaalsContact NE2-C 3.32Å; Q57-P77 PolarHBondContact NE2-O 3.44Å
78G82.5Confident91.6Very high29 Ų2970.6 Ų70.630%0.29940%0.395SS..THydrogen-bonded Turntrans52.8-160.7-173.600000113.4D76D76-G78 PolarHBondContact O-N 2.91Å; D76-G78 VanDerWaalsContact O-N 3.1Å; D76-G78 WeakPolarHBondContact OD1-CA 3.42Å; D76-G78 PolarHBondContact OD1-N 3.07Å
79N83.6Confident91.5Very high173 Ų17371.7 Ų71.793%0.92541%0.407SS*.THydrogen-bonded Turntrans-124.627.7179.5-74-29.1000112.5
80L85.3Confident91.5Very high42 Ų4270.3 Ų70.322%0.2240%0.4CS..PPolyproline II helixtrans-78.3142.7-179.2-71.3170.1000111.4L23 D50 R53 R82L23-L80 HydrophobicContact CD2-CD2 4.34Å; D50-L80 HydrophobicContact CB-CD1 3.59Å; D50-L80 VanDerWaalsContact O-CD1 3.3Å; D50-L80 WeakPolarHBondContact O-CD1 3.06Å; R53-L80 HydrophobicContact CB-CD1 4.04Å; L80-R82 PolarHBondContact O-N 2.99Å
81P79.2Confident91.5Very high105 Ų10571.8 Ų71.868%0.68241%0.405SS*.PPolyproline II helixtrans-65.2131.8176.727.4-33.4000110.2
82R88.7Confident91.5Very high139 Ų13977.8 Ų77.853%0.52543%0.433SS..PPolyproline II helixtrans-83157.6170.8-58.7176.3-167.8166.43.7110Q57 E61 L80Q57-R82 HydrophobicContact CB-CG 4.16Å; E61-R82 WeakPolarHBondContact OE2-CD 3.23Å; E61-R82 IonicContact OE2-CZ 3.77Å; E61-R82 IonicContact OE2-NE 3.78Å; E61-R82 IonicContact OE2-NH1 2.65Å; E61-R82 PolarHBondContact OE2-NH1 3.21Å; L80-R82 PolarHBondContact O-N 2.99Å
83S92.6Very high91.6Very high9 Ų981.6 Ų81.66%0.06345%0.447CS..  trans-132.3124.8-178.8160.60000110.9K19 S58 E85K19-S83 WeakPolarHBondContact CE-OG 3.43Å; K19-S83 VanDerWaalsContact NZ-CB 3.28Å; K19-S83 PolarHBondContact NZ-OG 2.85Å; S58-S83 VanDerWaalsContact CB-O 3.29Å; S58-S83 WeakPolarHBondContact CB-O 3.46Å; S58-S83 PolarHBondContact OG-N 3.33Å; S83-E85 PolarHBondContact OG-N 2.72Å
84T95.2Very high91.8Very high89 Ų8987.8 Ų87.855%0.54647%0.465SS..  trans-100.112.8171.962.40000113.1E61 I62E61-T84 HydrophobicContact CG-CG2 4.34Å; I62-T84 HydrophobicContact CG1-CG2 4.22Å
85E96Very high92.1Very high109 Ų10980 Ų8051%0.50942%0.423SS..  trans-70.4137.9-177.9-171.7179174.900111.5S15 K19 S83S15-E85 WeakPolarHBondContact CB-O 3.48Å; K19-E85 WeakPolarHBondContact CE-OE2 3.47Å; K19-E85 IonicContact NZ-OE2 2.7Å; K19-E85 PolarHBondContact NZ-OE2 2.97Å; S83-E85 PolarHBondContact OG-N 2.72Å
86L97.5Very high92.5Very high46 Ų4678 Ų7824%0.24141%0.414CS..  trans-114.5134.7174.1-56.9-177.4000109.2A11 A12 I62 L88 L91A11-L86 HydrophobicContact CB-CB 4.14Å; A12-L86 HydrophobicContact CB-CD2 3.56Å; I62-L86 HydrophobicContact CG2-CD2 4.39Å; L86-L88 PolarHBondContact O-N 3.47Å; L86-L88 VanDerWaalsContact O-N 3.09Å; L86-L91 HydrophobicContact CB-CD1 4.2Å; L86-L91 HydrophobicContact CD1-CD1 4.27Å
87N97.9Very high92.8Very high48 Ų4878.8 Ų78.826%0.25742%0.424SS..  trans-67.2110.2175.4-171.8-69.9000110.4A11 V14 S15 A89 V90A11-N87 WeakPolarHBondContact O-CB 3.42Å; A11-N87 PolarHBondContact O-N 3.02Å; V14-N87 HydrophobicContact CB-CB 4.01Å; V14-N87 HydrophobicContact CG1-CB 3.7Å; V14-N87 WeakPolarHBondContact CG1-ND2 3.43Å; S15-N87 PolarHBondContact OG-N 3.1Å; N87-A89 VanDerWaalsContact C-N 3.32Å; N87-A89 PolarHBondContact O-N 3.43Å; N87-A89 WeakPolarHBondContact OD1-CB 3.44Å; N87-A89 PolarHBondContact OD1-N 3.02Å; N87-A89 VanDerWaalsContact OD1-N 3.12Å; N87-V90 HydrophobicContact CB-CB 4.47Å; N87-V90 HydrophobicContact CB-CG2 4Å; N87-V90 PolarHBondContact O-N 3.17Å; N87-V90 PolarHBondContact OD1-N 2.96Å
88L97.1Very high93.4Very high129 Ų12982.8 Ų82.868%0.67544%0.435SS*.Hα-helixtrans-66-33.1-175.1-62-178.8000112.9L86 V90 L91 E92L86-L88 PolarHBondContact O-N 3.47Å; L86-L88 VanDerWaalsContact O-N 3.09Å; L88-V90 VanDerWaalsContact C-N 3.29Å; L88-V90 PolarHBondContact O-N 3.03Å; L88-L91 HydrophobicContact CD2-CD1 4.39Å; L88-L91 WeakPolarHBondContact O-CA 3.12Å; L88-L91 WeakPolarHBondContact O-CB 3.48Å; L88-L91 PolarHBondContact O-N 2.98Å; L88-E92 PolarHBondContact O-N 2.84Å
89A96.3Very high94.1Very high50 Ų5082 Ų8241%0.41342%0.424SS..Hα-helixtrans-64.5-33.6178.900000112.1N87 L91 E92 Y93N87-A89 VanDerWaalsContact C-N 3.32Å; N87-A89 PolarHBondContact O-N 3.43Å; N87-A89 WeakPolarHBondContact OD1-CB 3.44Å; N87-A89 PolarHBondContact OD1-N 3.02Å; N87-A89 VanDerWaalsContact OD1-N 3.12Å; A89-L91 VanDerWaalsContact C-N 3.3Å; A89-L91 PolarHBondContact O-N 3.5Å; A89-E92 PolarHBondContact O-N 3.4Å; A89-Y93 VanDerWaalsContact O-CD2 3.25Å; A89-Y93 WeakPolarHBondContact O-CD2 3.5Å; A89-Y93 WeakPolarHBondContact O-CE2 3.48Å
90V97.9Very high94.7Very high0 Ų078.4 Ų78.40%040%0.4CS..Hα-helixtrans-62.9-39.7171.6175.50000110.9M7 L10 A11 V14 N87 L88 E92 Y93 W169M7-V90 HydrophobicContact CE-CG1 4Å; M7-V90 WeakPolarHBondContact CE-O 3.25Å; L10-V90 HydrophobicContact CB-CG1 4.3Å; L10-V90 HydrophobicContact CD2-CG1 4.04Å; L10-V90 HydrophobicContact CG-CG1 3.99Å; A11-V90 HydrophobicContact CB-CB 3.94Å; A11-V90 HydrophobicContact CB-CG1 3.95Å; V14-V90 HydrophobicContact CB-CG2 4.2Å; V14-V90 HydrophobicContact CG1-CG2 4.31Å; V14-V90 HydrophobicContact CG2-CG2 3.88Å; N87-V90 HydrophobicContact CB-CB 4.47Å; N87-V90 HydrophobicContact CB-CG2 4Å; N87-V90 PolarHBondContact O-N 3.17Å; N87-V90 PolarHBondContact OD1-N 2.96Å; L88-V90 VanDerWaalsContact C-N 3.29Å; L88-V90 PolarHBondContact O-N 3.03Å; V90-E92 PolarHBondContact O-N 3.28Å; V90-Y93 PolarHBondContact O-N 2.88Å; V90-W169 HydrophobicContact CB-CH2 4.43Å; V90-W169 HydrophobicContact CG1-CH2 4.32Å; V90-W169 HydrophobicContact CG1-CZ3 4.33Å; V90-W169 HydrophobicContact CG2-CD2 4.29Å; V90-W169 HydrophobicContact CG2-CH2 4.09Å; V90-W169 HydrophobicContact CG2-CZ2 3.78Å; V90-W169 HydrophobicContact CG2-CZ3 4.46Å
91L97.5Very high95Very high42 Ų4283.4 Ų83.422%0.2243%0.427CS..Hα-helixtrans-75.1-10.2-176.8-59.7-178.9000114.1P3 M7 A11 L86 L88 A89 Y93P3-L91 HydrophobicContact CB-CD2 3.96Å; P3-L91 HydrophobicContact CG-CD2 4.19Å; M7-L91 HydrophobicContact CB-CD2 4.27Å; A11-L91 HydrophobicContact CB-CD1 4.41Å; A11-L91 HydrophobicContact CB-CD2 3.63Å; A11-L91 HydrophobicContact CB-CG 3.81Å; L86-L91 HydrophobicContact CB-CD1 4.2Å; L86-L91 HydrophobicContact CD1-CD1 4.27Å; L88-L91 HydrophobicContact CD2-CD1 4.39Å; L88-L91 WeakPolarHBondContact O-CA 3.12Å; L88-L91 WeakPolarHBondContact O-CB 3.48Å; L88-L91 PolarHBondContact O-N 2.98Å; A89-L91 VanDerWaalsContact C-N 3.3Å; A89-L91 PolarHBondContact O-N 3.5Å; L91-Y93 VanDerWaalsContact C-N 3.31Å
92E96.7Very high95.7Very high160 Ų16079.6 Ų79.675%0.74840%0.403SS*.THydrogen-bonded Turntrans-74-23.8172.8-69.1176.7177.800112.3L88 A89 V90L88-E92 PolarHBondContact O-N 2.84Å; A89-E92 PolarHBondContact O-N 3.4Å; V90-E92 PolarHBondContact O-N 3.28Å
93Y97.1Very high96Very high99 Ų9975.3 Ų75.339%0.38839%0.394SS..SBendtrans-78.9143.9179.5-68.5-85000112.4A89 V90 L91 W169 L174 F177A89-Y93 VanDerWaalsContact O-CD2 3.25Å; A89-Y93 WeakPolarHBondContact O-CD2 3.5Å; A89-Y93 WeakPolarHBondContact O-CE2 3.48Å; V90-Y93 PolarHBondContact O-N 2.88Å; L91-Y93 VanDerWaalsContact C-N 3.31Å; Y93-W169 AromaticContact CD2-CH2 3.88Å; Y93-W169 HydrophobicContact CD2-CH2 3.88Å; Y93-W169 HydrophobicContact CD2-CZ2 4.39Å; Y93-W169 HydrophobicContact CE2-CH2 4.03Å; Y93-W169 HydrophobicContact CE2-CZ2 4.16Å; Y93-L174 HydrophobicContact CD1-CD1 4.01Å; Y93-L174 HydrophobicContact CD1-CD2 4.43Å; Y93-L174 HydrophobicContact CG-CD1 4.38Å; Y93-L174 HydrophobicContact CG-CD2 4.11Å; Y93-F177 HydrophobicContact CD1-CE1 4.21Å; Y93-F177 AromaticContact CD1-CZ 3.92Å; Y93-F177 HydrophobicContact CD1-CZ 3.92Å; Y93-F177 HydrophobicContact CE1-CD1 4.44Å; Y93-F177 AromaticContact CE1-CE1 3.38Å; Y93-F177 HydrophobicContact CE1-CE1 3.38Å; Y93-F177 AromaticContact CE1-CZ 3.57Å; Y93-F177 HydrophobicContact CE1-CZ 3.57Å; Y93-F177 HydrophobicContact CE2-CD1 4.37Å; Y93-F177 AromaticContact CE2-CE1 3.96Å; Y93-F177 HydrophobicContact CE2-CE1 3.96Å; Y93-F177 HydrophobicContact CE2-CZ 4.25Å; Y93-F177 HydrophobicContact CG-CZ 4.4Å; Y93-F177 AromaticContact CZ-CD1 3.89Å; Y93-F177 AromaticContact CZ-CE1 3.24Å; Y93-F177 AromaticContact CZ-CZ 3.76Å; Y93-F177 WeakPolarHBondContact OH-CE1 3.43Å
94Q95.9Very high96.2Very high172 Ų17276.8 Ų76.880%0.80440%0.401SS*.PPolyproline II helixtrans-75.5127.4173.5-172.9172.53.300110.4
95C97.1Very high96.2Very high11 Ų1178.2 Ų78.27%0.07441%0.405CS..PPolyproline II helixtrans-61.8132.6174.8-1720000110.8P4 V6 M7P4-C95 HydrophobicContact CB-CB 4.13Å; P4-C95 HydrophobicContact CG-CB 3.63Å; V6-C95 VanDerWaalsContact CG1-SG 3.58Å; M7-C95 HydrophobicContact CG-CB 3.62Å; M7-C95 HydrophobicContact SD-CB 4.12Å
96P97.2Very high96.2Very high10 Ų1077 Ų777%0.06540%0.403CS..PPolyproline II helixtrans-52.4135.8170.7-2836.5000111.2E98 L99 K100 L171 L174P96-E98 PolarHBondContact O-N 3.34Å; P96-E98 VanDerWaalsContact O-N 3.1Å; P96-L99 HydrophobicContact CB-CD1 4.42Å; P96-L99 HydrophobicContact CB-CG 4.45Å; P96-L99 HydrophobicContact CG-CD1 4.35Å; P96-L99 PolarHBondContact O-N 2.57Å; P96-K100 PolarHBondContact O-N 3.31Å; P96-L171 HydrophobicContact CG-CD2 4.1Å; P96-L174 HydrophobicContact CG-CB 4.04Å
97P96.2Very high96.2Very high108 Ų10874.9 Ų74.970%0.70139%0.392SS*.G310 helixtrans-53.5-36.8-174.7-28.435.2000114L99 K100P97-L99 PolarHBondContact O-N 3.07Å; P97-K100 WeakPolarHBondContact O-CB 3.39Å; P97-K100 PolarHBondContact O-N 3.16Å
98E94.8Very high96.3Very high168 Ų16872.8 Ų72.879%0.78538%0.38SS*.G310 helixtrans-65.3-21.5-179.2-63.5150.1-14200113.9P96P96-E98 PolarHBondContact O-N 3.34Å; P96-E98 VanDerWaalsContact O-N 3.1Å
99L96.5Very high96.3Very high13 Ų1366.7 Ų66.77%0.06835%0.348CS..G310 helixtrans-108.7-0.8-175.9-54.9179.9000113V6 P96 P97 C102 L136 V141 L171V6-L99 HydrophobicContact CG1-CB 4.04Å; V6-L99 WeakPolarHBondContact CG1-O 3.39Å; P96-L99 HydrophobicContact CB-CD1 4.42Å; P96-L99 HydrophobicContact CB-CG 4.45Å; P96-L99 HydrophobicContact CG-CD1 4.35Å; P96-L99 PolarHBondContact O-N 2.57Å; P97-L99 PolarHBondContact O-N 3.07Å; L99-C102 PolarHBondContact O-SG 2.93Å; L99-L136 HydrophobicContact CD2-CD2 3.82Å; L99-V141 HydrophobicContact CD1-CB 4.28Å; L99-V141 HydrophobicContact CD2-CB 4.11Å; L99-V141 HydrophobicContact CD2-CG1 3.86Å; L99-L171 HydrophobicContact CD1-CD1 3.75Å; L99-L171 HydrophobicContact CD1-CD2 4.27Å; L99-L171 HydrophobicContact CD1-CG 3.89Å
100K95Very high96.5Very high98 Ų9864.3 Ų64.343%0.42633%0.329SS..THydrogen-bonded Turntrans-67.6-42.1-170.8-172.4-176.9176.4-172.40112.9P4 P96 P97P4-K100 HydrophobicContact CG-CG 3.99Å; P96-K100 PolarHBondContact O-N 3.31Å; P97-K100 WeakPolarHBondContact O-CB 3.39Å; P97-K100 PolarHBondContact O-N 3.16Å
101D92.4Very high96.5Very high147 Ų14764.3 Ų64.379%0.78633%0.329SS*.THydrogen-bonded Turntrans-108.447.6-170.6-59.1-42.4000111.5
102C93.8Very high96.6Very high24 Ų2462.4 Ų62.416%0.16232%0.319CS..  trans-82144.7176.149.60000112.8L99 I107 L136L99-C102 PolarHBondContact O-SG 2.93Å; C102-I107 HydrophobicContact CB-CD1 4.36Å; C102-L136 HydrophobicContact CB-CD1 3.56Å; C102-L136 HydrophobicContact CB-CD2 3.91Å; C102-L136 HydrophobicContact CB-CG 4.41Å
103S94.9Very high96.6Very high50 Ų5054.8 Ų54.835%0.3528%0.283SS..  trans-84.4154.1168.8-1720000110.9D105 D106 I107S103-D105 VanDerWaalsContact C-N 3.29Å; S103-D105 PolarHBondContact OG-N 3.3Å; S103-D106 WeakPolarHBondContact CB-OD2 3.31Å; S103-I107 WeakPolarHBondContact O-CG1 3.45Å
104L96.4Very high96.7Very high39 Ų3950 Ų5020%0.20427%0.265CS..SBendtrans-64.6-37.3171.8-169.569.3000111.4L5 I9 F63 P64 L66 D106 I107L5-L104 HydrophobicContact CD1-CD1 4.36Å; L5-L104 HydrophobicContact CD2-CB 4.03Å; L5-L104 HydrophobicContact CD2-CD1 3.93Å; I9-L104 HydrophobicContact CD1-CD1 4.48Å; F63-L104 HydrophobicContact CB-CD1 4.49Å; P64-L104 WeakPolarHBondContact O-CD2 3.47Å; L66-L104 HydrophobicContact CB-CD1 4.04Å; L66-L104 HydrophobicContact CD1-CD1 3.77Å; L66-L104 HydrophobicContact CG-CD1 4.48Å; L104-D106 PolarHBondContact O-N 3.15Å; L104-I107 PolarHBondContact O-N 3.35Å; L104-I107 VanDerWaalsContact O-N 3.08Å
105D95.9Very high96.8Very high119 Ų11942.1 Ų42.164%0.63623%0.228SC*.THydrogen-bonded Turntrans-65.8-23.2-177.2-57.9-26.6000113S103 I107S103-D105 VanDerWaalsContact C-N 3.29Å; S103-D105 PolarHBondContact OG-N 3.3Å; D105-I107 VanDerWaalsContact C-N 3.35Å
106D95.9Very high96.7Very high84 Ų8442.1 Ų42.145%0.44923%0.23SC..THydrogen-bonded Turntrans-88-6.2178.5-65.3-44.1000112.8S103 L104 L136 A137S103-D106 WeakPolarHBondContact CB-OD2 3.31Å; L104-D106 PolarHBondContact O-N 3.15Å; D106-L136 HydrophobicContact CB-CD1 3.7Å; D106-L136 WeakPolarHBondContact O-CA 3.45Å; D106-A137 PolarHBondContact O-N 3.28Å
107I98.3Very high96.5Very high2 Ų242.4 Ų42.41%0.0123%0.231CC..EExtended strand (participates in β ladder)trans-101.9127.8-175.5-62.1173.1000110.3L5 I9 L66 C102 S103 L104 D105 V109 I134 S135 L136L5-I107 HydrophobicContact CD2-CD1 3.93Å; L5-I107 HydrophobicContact CG-CD1 4.17Å; I9-I107 HydrophobicContact CD1-CD1 3.79Å; I9-I107 HydrophobicContact CD1-CG2 4.07Å; L66-I107 HydrophobicContact CD1-CB 4.13Å; L66-I107 HydrophobicContact CD1-CG2 3.73Å; C102-I107 HydrophobicContact CB-CD1 4.36Å; S103-I107 WeakPolarHBondContact O-CG1 3.45Å; L104-I107 PolarHBondContact O-N 3.35Å; L104-I107 VanDerWaalsContact O-N 3.08Å; D105-I107 VanDerWaalsContact C-N 3.35Å; I107-V109 HydrophobicContact CG2-CG2 4.4Å; I107-I134 HydrophobicContact CG2-CG2 3.96Å; I107-S135 VanDerWaalsContact CA-O 3.31Å; I107-S135 WeakPolarHBondContact CA-O 3.37Å; I107-L136 HydrophobicContact CG1-CD1 3.72Å
108V98.7Very high96.4Very high4 Ų439.2 Ų39.22%0.02421%0.206CC..EExtended strand (participates in β ladder)trans-122.6127.7168-173.10000108.8H67 I69 W110 S135 L287H67-V108 HydrophobicContact CB-CB 4.49Å; H67-V108 HydrophobicContact CB-CG1 4.29Å; H67-V108 HydrophobicContact CB-CG2 4.17Å; I69-V108 HydrophobicContact CD1-CG1 3.78Å; I69-V108 HydrophobicContact CG1-CG1 4.14Å; V108-W110 HydrophobicContact CG1-CD2 4.48Å; V108-W110 HydrophobicContact CG1-CZ2 4.22Å; V108-S135 WeakPolarHBondContact CB-OG 3.06Å; V108-S135 PolarHBondContact N-O 3.37Å; V108-S135 PolarHBondContact O-N 2.86Å; V108-S135 PolarHBondContact O-OG 3.2Å; V108-L287 HydrophobicContact CG2-CB 4.04Å
109V98.8Very high96.4Very high0 Ų031.5 Ų31.50%017%0.17CC..EExtended strand (participates in β ladder)trans-97.7123.2172.8-1800000109.5I9 L59 L66 H67 V68 I69 I107 V111 I132 G133 I134I9-V109 HydrophobicContact CG2-CG2 3.94Å; L59-V109 HydrophobicContact CD1-CB 4.48Å; L59-V109 HydrophobicContact CD1-CG1 3.84Å; L66-V109 HydrophobicContact CD1-CG2 4.24Å; L66-V109 HydrophobicContact CD2-CG2 3.92Å; L66-V109 HydrophobicContact CG-CG2 4.32Å; H67-V109 PolarHBondContact O-N 3.34Å; V68-V109 CarbonylContact C-O 3.55Å; V68-V109 WeakPolarHBondContact CA-O 3.36Å; V68-V109 HydrophobicContact CG1-CB 4.33Å; V68-V109 HydrophobicContact CG1-CG1 4.37Å; V68-V109 HydrophobicContact CG2-CB 4.34Å; I69-V109 PolarHBondContact N-O 3.37Å; I107-V109 HydrophobicContact CG2-CG2 4.4Å; V109-V111 HydrophobicContact CG1-CG2 4.02Å; V109-I132 HydrophobicContact CG1-CG2 3.62Å; V109-G133 CarbonylContact C-O 3.33Å; V109-G133 VanDerWaalsContact CA-O 3.24Å; V109-G133 WeakPolarHBondContact CA-O 3.32Å; V109-I134 HydrophobicContact CG2-CG1 4.43Å
110W98.8Very high96.3Very high0 Ų031 Ų310%017%0.167CC..EExtended strand (participates in β ladder)trans-104.5125.5178.4-64.588000109.4I69 V108 G133 K258 W259 C262 Y285 H291I69-W110 HydrophobicContact CB-CD2 4.41Å; I69-W110 HydrophobicContact CB-CE3 3.85Å; I69-W110 HydrophobicContact CB-CZ3 3.94Å; I69-W110 HydrophobicContact CD1-CE3 4.24Å; I69-W110 HydrophobicContact CD1-CH2 3.5Å; I69-W110 VanDerWaalsContact CD1-CH2 3.5Å; I69-W110 HydrophobicContact CD1-CZ2 3.8Å; I69-W110 HydrophobicContact CD1-CZ3 3.73Å; I69-W110 HydrophobicContact CG1-CZ3 4.45Å; I69-W110 HydrophobicContact CG2-CE3 3.83Å; I69-W110 HydrophobicContact CG2-CH2 4.43Å; I69-W110 HydrophobicContact CG2-CZ3 3.59Å; I69-W110 CarbonylContact O-C 3.59Å; I69-W110 WeakPolarHBondContact O-CA 3.46Å; V108-W110 HydrophobicContact CG1-CD2 4.48Å; V108-W110 HydrophobicContact CG1-CZ2 4.22Å; W110-G133 PolarHBondContact N-O 2.86Å; W110-G133 PolarHBondContact O-N 2.93Å; W110-K258 HydrophobicContact CD2-CB 3.79Å; W110-K258 HydrophobicContact CE3-CB 3.5Å; W110-K258 VanDerWaalsContact CE3-CB 3.5Å; W110-K258 HydrophobicContact CH2-CB 3.83Å; W110-K258 HydrophobicContact CH2-CG 3.98Å; W110-K258 HydrophobicContact CZ2-CB 4.11Å; W110-K258 HydrophobicContact CZ2-CG 4.29Å; W110-K258 HydrophobicContact CZ3-CB 3.52Å; W110-K258 HydrophobicContact CZ3-CG 4.11Å; W110-W259 HydrophobicContact CE3-CE3 4.11Å; W110-W259 HydrophobicContact CZ3-CE3 4.23Å; W110-C262 HydrophobicContact CB-CB 3.81Å; W110-C262 HydrophobicContact CG-CB 4.06Å; W110-Y285 PolarHBondContact NE1-O 2.96Å; W110-H291 AromaticContact CH2-CD2 3.69Å; W110-H291 AromaticContact CZ3-CD2 3.69Å; W110-H291 AromaticContact CZ3-NE2 3.96Å
111V98.8Very high96.2Very high0 Ų028.1 Ų28.10%016%0.158CC..EExtended strand (participates in β ladder)trans-120.2118.5-173.2-1780000110.2I55 V68 I69 G70 E71 V109 L131 I132I55-V111 HydrophobicContact CB-CG1 4.38Å; I55-V111 HydrophobicContact CD1-CG1 3.96Å; I55-V111 HydrophobicContact CG2-CG1 3.97Å; I55-V111 HydrophobicContact CG2-CG2 3.82Å; V68-V111 HydrophobicContact CG1-CG2 3.82Å; I69-V111 PolarHBondContact O-N 3.03Å; G70-V111 WeakPolarHBondContact CA-O 3.2Å; E71-V111 PolarHBondContact N-O 3.24Å; V109-V111 HydrophobicContact CG1-CG2 4.02Å; V111-L131 WeakPolarHBondContact CA-O 3.31Å; V111-I132 HydrophobicContact CG2-CG2 4.47Å
112D98.6Very high96.2Very high2 Ų225.5 Ų25.51%0.01114%0.141CC..EExtended strand (participates in β ladder)trans-102.3106.3157.8-172.1-32.6000106.5L114 D115 L131 W259D112-L114 PolarHBondContact O-N 2.81Å; D112-L114 PolarHBondContact OD1-N 2.94Å; D112-D115 WeakPolarHBondContact OD1-CA 3.3Å; D112-D115 PolarHBondContact OD1-N 3.05Å; D112-D115 WeakPolarHBondContact OD2-CB 3.39Å; D112-L131 HydrophobicContact CB-CB 3.8Å; D112-L131 HydrophobicContact CB-CD1 3.93Å; D112-L131 HydrophobicContact CB-CG 3.96Å; D112-L131 PolarHBondContact N-O 3.1Å; D112-L131 PolarHBondContact O-N 3.21Å; D112-W259 HydrophobicContact CB-CB 4.07Å; D112-W259 HydrophobicContact CB-CG 4.48Å
113P98.1Very high96.1Very high0 Ų026 Ų260%015%0.15CC..EExtended strand (participates in β ladder)trans-70.6-20.8-174.232.3-37.7000113D48 S51 Q52 E72D48-P113 HydrophobicContact CB-CG 4.27Å; D48-P113 VanDerWaalsContact O-CB 3.31Å; D48-P113 WeakPolarHBondContact O-CB 3.44Å; D48-P113 WeakPolarHBondContact O-CG 3.43Å; S51-P113 WeakPolarHBondContact CB-O 3.47Å; Q52-P113 HydrophobicContact CB-CB 3.77Å; Q52-P113 HydrophobicContact CB-CG 3.96Å; E72-P113 HydrophobicContact CG-CG 3.99Å
114L98.1Very high96Very high0 Ų026 Ų260%015%0.146CC..EExtended strand (participates in β ladder)trans-160.588.8178.8-166.7166.1000109.1I24 A47 D48 D112 G116 T117 F120 V128 T129I24-L114 HydrophobicContact CD1-CB 4.49Å; I24-L114 HydrophobicContact CD1-CD1 4.4Å; I24-L114 HydrophobicContact CD1-CG 4.29Å; I24-L114 HydrophobicContact CG1-CD1 4.22Å; I24-L114 HydrophobicContact CG2-CD1 4.3Å; A47-L114 HydrophobicContact CB-CD1 3.54Å; D48-L114 HydrophobicContact CB-CB 4.38Å; D112-L114 PolarHBondContact O-N 2.81Å; D112-L114 PolarHBondContact OD1-N 2.94Å; L114-G116 PolarHBondContact O-N 2.8Å; L114-T117 PolarHBondContact O-OG1 3.5Å; L114-T117 VanDerWaalsContact O-OG1 3.04Å; L114-F120 HydrophobicContact CD1-CD1 3.92Å; L114-F120 HydrophobicContact CD1-CE1 4.09Å; L114-F120 HydrophobicContact CD1-CG 4.14Å; L114-F120 HydrophobicContact CD1-CZ 4.44Å; L114-F120 HydrophobicContact CD2-CB 4.03Å; L114-F120 HydrophobicContact CD2-CG 4.36Å; L114-V128 HydrophobicContact CD1-CG1 4.49Å; L114-V128 HydrophobicContact CD2-CG1 3.76Å; L114-V128 HydrophobicContact CD2-CG2 4.43Å; L114-V128 HydrophobicContact CG-CG1 3.78Å; L114-T129 CarbonylContact C-O 3.47Å; L114-T129 WeakPolarHBondContact CA-O 3.4Å
115D97.8Very high96Very high6 Ų624.7 Ų24.73%0.03214%0.139CC..EExtended strand (participates in β ladder)trans-74.9124.1173.7166.752.6000108.8D112 V128 T129 L131 G233 C234 G235D112-D115 WeakPolarHBondContact OD1-CA 3.3Å; D112-D115 PolarHBondContact OD1-N 3.05Å; D112-D115 WeakPolarHBondContact OD2-CB 3.39Å; D115-V128 WeakPolarHBondContact O-CA 3.4Å; D115-T129 WeakPolarHBondContact CB-OG1 3.43Å; D115-T129 PolarHBondContact N-O 3.49Å; D115-T129 PolarHBondContact O-N 2.87Å; D115-T129 PolarHBondContact OD2-OG1 2.84Å; D115-L131 HydrophobicContact CB-CD1 3.75Å; D115-L131 HydrophobicContact CB-CG 3.87Å; D115-G233 VanDerWaalsContact CG-CA 3.46Å; D115-G233 WeakPolarHBondContact OD1-CA 3.49Å; D115-G233 WeakPolarHBondContact OD2-CA 3.35Å; D115-C234 VanDerWaalsContact CG-N 3.26Å; D115-C234 PolarHBondContact OD1-N 2.86Å; D115-C234 PolarHBondContact OD2-N 3.25Å; D115-G235 PolarHBondContact OD2-N 3.47Å
116G95.4Very high95.9Very high11 Ų1123 Ų2311%0.11313%0.128CC..THydrogen-bonded Turntrans96.433.6-175.800000114.7L114 K118 E119 F120L114-G116 PolarHBondContact O-N 2.8Å; G116-K118 VanDerWaalsContact C-N 3.26Å; G116-K118 PolarHBondContact O-N 2.77Å; G116-E119 WeakPolarHBondContact O-CB 3.22Å; G116-E119 PolarHBondContact O-N 3.5Å; G116-E119 VanDerWaalsContact O-N 3.09Å; G116-F120 PolarHBondContact O-N 2.83Å
117T94.2Very high95.9Very high16 Ų1619.9 Ų19.910%0.09811%0.11CC..Hα-helixtrans-53.6-39.3178.6-40.20000113.1L43 D48 L114 F120 T121L43-T117 HydrophobicContact CB-CG2 4.2Å; L43-T117 WeakPolarHBondContact O-CG2 3.1Å; D48-T117 VanDerWaalsContact OD1-CG2 3.23Å; D48-T117 WeakPolarHBondContact OD1-CG2 3.45Å; D48-T117 PolarHBondContact OD1-OG1 3.5Å; L114-T117 PolarHBondContact O-OG1 3.5Å; L114-T117 VanDerWaalsContact O-OG1 3.04Å; T117-F120 WeakPolarHBondContact O-CB 3.37Å; T117-F120 PolarHBondContact O-N 3.37Å; T117-T121 WeakPolarHBondContact O-CG2 3.37Å; T117-T121 PolarHBondContact O-N 3.25Å; T117-T121 PolarHBondContact O-OG1 3.41Å
118K93Very high95.9Very high41 Ų4119.8 Ų19.818%0.17811%0.11CC..Hα-helixtrans-58.8-51.6174.9-175.8163177.81730111.7D41 G116 F120 T121 E122D41-K118 IonicContact OD1-NZ 2.64Å; D41-K118 PolarHBondContact OD1-NZ 2.87Å; G116-K118 VanDerWaalsContact C-N 3.26Å; G116-K118 PolarHBondContact O-N 2.77Å; K118-F120 VanDerWaalsContact C-N 3.3Å; K118-F120 PolarHBondContact O-N 2.91Å; K118-T121 PolarHBondContact O-N 3.31Å; K118-T121 PolarHBondContact O-OG1 3.4Å; K118-E122 WeakPolarHBondContact O-CG 3.42Å; K118-E122 PolarHBondContact O-N 2.94Å; K118-E122 VanDerWaalsContact O-N 3.11Å
119E94.4Very high95.9Very high6 Ų619.6 Ų19.63%0.02811%0.109CC..Hα-helixtrans-60.2-38.3175.1-8069.7-142.800112.8G116 E122 G123 L124 F127 R209 S210 G232G116-E119 WeakPolarHBondContact O-CB 3.22Å; G116-E119 PolarHBondContact O-N 3.5Å; G116-E119 VanDerWaalsContact O-N 3.09Å; E119-E122 CarbonylContact O-C 3.55Å; E119-E122 PolarHBondContact O-N 3.01Å; E119-G123 PolarHBondContact O-N 3.44Å; E119-G123 VanDerWaalsContact O-N 3.15Å; E119-L124 HydrophobicContact CB-CB 4Å; E119-L124 HydrophobicContact CG-CB 4.17Å; E119-L124 HydrophobicContact CG-CD1 4.46Å; E119-L124 WeakPolarHBondContact O-CA 3.48Å; E119-L124 PolarHBondContact O-N 2.87Å; E119-F127 HydrophobicContact CB-CB 4.08Å; E119-F127 HydrophobicContact CB-CD2 4.13Å; E119-F127 HydrophobicContact CG-CB 4.01Å; E119-F127 HydrophobicContact CG-CD2 3.55Å; E119-F127 HydrophobicContact CG-CE2 4.43Å; E119-F127 HydrophobicContact CG-CG 4.12Å; E119-R209 IonicContact OE1-CZ 3.96Å; E119-R209 IonicContact OE1-NH1 3.62Å; E119-R209 PolarHBondContact OE1-NH1 3.29Å; E119-S210 PolarHBondContact OE1-OG 2.85Å; E119-G232 VanDerWaalsContact CD-CA 3.44Å; E119-G232 WeakPolarHBondContact OE2-CA 3.41Å
120F94.9Very high95.9Very high1 Ų119.6 Ų19.60%0.00411%0.109CC..Hα-helixtrans-59.3-47175.2-177.1-115.1000112I24 Y28 L33 A47 L114 G116 T117 K118 E122 G123 I125 V128 F149I24-F120 HydrophobicContact CG2-CE2 3.81Å; I24-F120 HydrophobicContact CG2-CZ 4.19Å; Y28-F120 HydrophobicContact CD2-CD2 4.02Å; Y28-F120 AromaticContact CD2-CE2 3.44Å; Y28-F120 HydrophobicContact CD2-CE2 3.44Å; Y28-F120 VanDerWaalsContact CD2-CE2 3.44Å; Y28-F120 AromaticContact CD2-CZ 3.88Å; Y28-F120 HydrophobicContact CD2-CZ 3.88Å; Y28-F120 HydrophobicContact CE2-CE2 4.4Å; Y28-F120 AromaticContact CG-CE2 3.97Å; Y28-F120 HydrophobicContact CG-CE2 3.97Å; Y28-F120 HydrophobicContact CG-CZ 4.37Å; L33-F120 HydrophobicContact CD1-CE1 4.39Å; L33-F120 HydrophobicContact CD2-CE1 3.68Å; L33-F120 HydrophobicContact CD2-CZ 3.91Å; A47-F120 HydrophobicContact CB-CE1 3.87Å; A47-F120 HydrophobicContact CB-CZ 4Å; L114-F120 HydrophobicContact CD1-CD1 3.92Å; L114-F120 HydrophobicContact CD1-CE1 4.09Å; L114-F120 HydrophobicContact CD1-CG 4.14Å; L114-F120 HydrophobicContact CD1-CZ 4.44Å; L114-F120 HydrophobicContact CD2-CB 4.03Å; L114-F120 HydrophobicContact CD2-CG 4.36Å; G116-F120 PolarHBondContact O-N 2.83Å; T117-F120 WeakPolarHBondContact O-CB 3.37Å; T117-F120 PolarHBondContact O-N 3.37Å; K118-F120 VanDerWaalsContact C-N 3.3Å; K118-F120 PolarHBondContact O-N 2.91Å; F120-E122 VanDerWaalsContact C-N 3.26Å; F120-E122 PolarHBondContact O-N 3.25Å; F120-G123 PolarHBondContact O-N 2.84Å; F120-G123 VanDerWaalsContact O-N 3.16Å; F120-I125 HydrophobicContact CD2-CG2 4.1Å; F120-V128 HydrophobicContact CB-CG2 3.69Å; F120-V128 HydrophobicContact CD2-CG2 3.93Å; F120-V128 HydrophobicContact CG-CG2 4.25Å; F120-F149 HydrophobicContact CD2-CE2 4.41Å; F120-F149 HydrophobicContact CE2-CE2 4.08Å; F120-F149 HydrophobicContact CE2-CZ 4.34Å
121T92.7Very high95.9Very high38 Ų3819.6 Ų19.623%0.23311%0.109CC..Hα-helixtrans-67.6-26.2178.563.70000113.4I35 L43 T117 K118 G123I35-T121 HydrophobicContact CD1-CG2 3.54Å; I35-T121 HydrophobicContact CG1-CG2 3.98Å; L43-T121 HydrophobicContact CD1-CG2 4.09Å; T117-T121 WeakPolarHBondContact O-CG2 3.37Å; T117-T121 PolarHBondContact O-N 3.25Å; T117-T121 PolarHBondContact O-OG1 3.41Å; K118-T121 PolarHBondContact O-N 3.31Å; K118-T121 PolarHBondContact O-OG1 3.4Å; T121-G123 VanDerWaalsContact C-N 3.33Å
122E92.4Very high95.9Very high93 Ų9319.6 Ų19.644%0.43511%0.109SC..THydrogen-bonded Turntrans-87.90.8176.5-67.3176.8177.900113.1K118 E119 F120 L124 R209K118-E122 WeakPolarHBondContact O-CG 3.42Å; K118-E122 PolarHBondContact O-N 2.94Å; K118-E122 VanDerWaalsContact O-N 3.11Å; E119-E122 CarbonylContact O-C 3.55Å; E119-E122 PolarHBondContact O-N 3.01Å; F120-E122 VanDerWaalsContact C-N 3.26Å; F120-E122 PolarHBondContact O-N 3.25Å; E122-L124 VanDerWaalsContact C-N 3.3Å; E122-L124 PolarHBondContact O-N 2.97Å; E122-R209 IonicContact OE2-CZ 3.22Å; E122-R209 IonicContact OE2-NH1 3.76Å; E122-R209 PolarHBondContact OE2-NH1 2.97Å; E122-R209 IonicContact OE2-NH2 3.72Å; E122-R209 PolarHBondContact OE2-NH2 3.08Å
123G92.5Very high95.9Very high34 Ų3419.5 Ų19.535%0.35111%0.108SC..THydrogen-bonded Turntrans77.69.5-179.200000114.7E119 F120 T121 I125E119-G123 PolarHBondContact O-N 3.44Å; E119-G123 VanDerWaalsContact O-N 3.15Å; F120-G123 PolarHBondContact O-N 2.84Å; F120-G123 VanDerWaalsContact O-N 3.16Å; T121-G123 VanDerWaalsContact C-N 3.33Å; G123-I125 PolarHBondContact O-N 3Å; G123-I125 VanDerWaalsContact O-N 3.08Å
124L93.4Very high95.9Very high51 Ų5119.5 Ų19.527%0.26711%0.108SC..  trans-87.253.4175.9-61.9173.8000111.2E119 E122 E126 F127E119-L124 HydrophobicContact CB-CB 4Å; E119-L124 HydrophobicContact CG-CB 4.17Å; E119-L124 HydrophobicContact CG-CD1 4.46Å; E119-L124 WeakPolarHBondContact O-CA 3.48Å; E119-L124 PolarHBondContact O-N 2.87Å; E122-L124 VanDerWaalsContact C-N 3.3Å; E122-L124 PolarHBondContact O-N 2.97Å; L124-E126 PolarHBondContact O-N 3.01Å; L124-F127 HydrophobicContact CB-CD2 3.88Å; L124-F127 HydrophobicContact CB-CE2 4.16Å; L124-F127 HydrophobicContact CD1-CE2 4.47Å; L124-F127 WeakPolarHBondContact O-CD2 3.32Å; L124-F127 PolarHBondContact O-N 3.12Å
125I95Very high96Very high10 Ų1019.5 Ų19.55%0.05111%0.108CC..G310 helixtrans-61.7-17.8-169.254.9173.1000115.4Y28 F120 G123 F127 V128 F149 Y163Y28-I125 HydrophobicContact CD2-CG2 3.75Å; Y28-I125 HydrophobicContact CE1-CD1 3.95Å; Y28-I125 HydrophobicContact CE1-CG2 4.12Å; Y28-I125 HydrophobicContact CE2-CG2 3.21Å; Y28-I125 HydrophobicContact CG-CG2 4.39Å; Y28-I125 VanDerWaalsContact CZ-CG2 3.41Å; F120-I125 HydrophobicContact CD2-CG2 4.1Å; G123-I125 PolarHBondContact O-N 3Å; G123-I125 VanDerWaalsContact O-N 3.08Å; I125-F127 PolarHBondContact O-N 2.95Å; I125-V128 WeakPolarHBondContact O-CB 3.48Å; I125-V128 PolarHBondContact O-N 2.87Å; I125-F149 HydrophobicContact CB-CB 4.29Å; I125-F149 HydrophobicContact CB-CD1 4.45Å; I125-F149 HydrophobicContact CB-CD2 3.62Å; I125-F149 HydrophobicContact CB-CE2 3.96Å; I125-F149 HydrophobicContact CB-CG 3.89Å; I125-F149 HydrophobicContact CB-CZ 4.49Å; I125-F149 HydrophobicContact CD1-CB 4.23Å; I125-F149 HydrophobicContact CD1-CD1 3.68Å; I125-F149 HydrophobicContact CD1-CD2 4.41Å; I125-F149 HydrophobicContact CD1-CE1 4.04Å; I125-F149 HydrophobicContact CD1-CG 3.86Å; I125-F149 HydrophobicContact CG1-CB 4.27Å; I125-F149 HydrophobicContact CG1-CD1 4.45Å; I125-F149 HydrophobicContact CG1-CD2 4.39Å; I125-F149 HydrophobicContact CG1-CG 4.14Å; I125-F149 HydrophobicContact CG2-CD2 4.3Å; I125-F149 HydrophobicContact CG2-CE2 4.12Å; I125-F149 HydrophobicContact CG2-CZ 4.43Å; I125-F149 WeakPolarHBondContact O-CD2 3.32Å; I125-Y163 HydrophobicContact CD1-CD2 4.09Å; I125-Y163 HydrophobicContact CD1-CE2 3.55Å; I125-Y163 HydrophobicContact CG1-CE2 4.37Å
126E94Very high96Very high84 Ų8420.4 Ų20.439%0.39311%0.113SC..G310 helixtrans-62.3-26.2176.965.1-152.7-130.400113.7L124 Y236L124-E126 PolarHBondContact O-N 3.01Å; E126-Y236 WeakPolarHBondContact O-CD2 3.46Å; E126-Y236 WeakPolarHBondContact O-CE2 3.48Å
127F96.2Very high96Very high18 Ų1823.4 Ų23.48%0.07914%0.136CC..G310 helixtrans-82.8-14179.5-62.3-56.6000113.5E119 L124 I125 T129 A231 Y236E119-F127 HydrophobicContact CB-CB 4.08Å; E119-F127 HydrophobicContact CB-CD2 4.13Å; E119-F127 HydrophobicContact CG-CB 4.01Å; E119-F127 HydrophobicContact CG-CD2 3.55Å; E119-F127 HydrophobicContact CG-CE2 4.43Å; E119-F127 HydrophobicContact CG-CG 4.12Å; L124-F127 HydrophobicContact CB-CD2 3.88Å; L124-F127 HydrophobicContact CB-CE2 4.16Å; L124-F127 HydrophobicContact CD1-CE2 4.47Å; L124-F127 WeakPolarHBondContact O-CD2 3.32Å; L124-F127 PolarHBondContact O-N 3.12Å; I125-F127 PolarHBondContact O-N 2.95Å; F127-T129 PolarHBondContact O-N 3.4Å; F127-A231 HydrophobicContact CD1-CB 3.86Å; F127-A231 HydrophobicContact CE1-CB 3.56Å; F127-A231 HydrophobicContact CZ-CB 4.41Å; F127-Y236 AromaticContact CD1-CD1 3.58Å; F127-Y236 HydrophobicContact CD1-CD1 3.58Å; F127-Y236 HydrophobicContact CD1-CD2 4.13Å; F127-Y236 AromaticContact CD1-CE1 3.62Å; F127-Y236 HydrophobicContact CD1-CE1 3.62Å; F127-Y236 HydrophobicContact CD1-CE2 4.15Å; F127-Y236 AromaticContact CD1-CG 3.86Å; F127-Y236 HydrophobicContact CD1-CG 3.86Å; F127-Y236 AromaticContact CD1-CZ 3.9Å; F127-Y236 HydrophobicContact CE1-CD1 4.05Å; F127-Y236 AromaticContact CE1-CE1 3.67Å; F127-Y236 HydrophobicContact CE1-CE1 3.67Å; F127-Y236 AromaticContact CE1-CZ 4Å
128V97.7Very high96.2Very high1 Ų123 Ų231%0.00614%0.135CC..  trans-69.9133-174177.70000110.1I24 L114 D115 F120 I125 P148I24-V128 HydrophobicContact CG2-CG1 4.38Å; L114-V128 HydrophobicContact CD1-CG1 4.49Å; L114-V128 HydrophobicContact CD2-CG1 3.76Å; L114-V128 HydrophobicContact CD2-CG2 4.43Å; L114-V128 HydrophobicContact CG-CG1 3.78Å; D115-V128 WeakPolarHBondContact O-CA 3.4Å; F120-V128 HydrophobicContact CB-CG2 3.69Å; F120-V128 HydrophobicContact CD2-CG2 3.93Å; F120-V128 HydrophobicContact CG-CG2 4.25Å; I125-V128 WeakPolarHBondContact O-CB 3.48Å; I125-V128 PolarHBondContact O-N 2.87Å; V128-P148 HydrophobicContact CB-CG 4.24Å; V128-P148 HydrophobicContact CG1-CG 3.74Å; V128-P148 WeakPolarHBondContact O-CD 3.34Å
129T98.7Very high96.4Very high0 Ų027.9 Ų27.90%016%0.156CC..EExtended strand (participates in β ladder)trans-134.4164.8170.367.20000112.6L114 D115 F127 L131 I145 A146 Q147 L239L114-T129 CarbonylContact C-O 3.47Å; L114-T129 WeakPolarHBondContact CA-O 3.4Å; D115-T129 WeakPolarHBondContact CB-OG1 3.43Å; D115-T129 PolarHBondContact N-O 3.49Å; D115-T129 PolarHBondContact O-N 2.87Å; D115-T129 PolarHBondContact OD2-OG1 2.84Å; F127-T129 PolarHBondContact O-N 3.4Å; T129-L131 WeakPolarHBondContact OG1-CD2 3.24Å; T129-I145 HydrophobicContact CG2-CG2 3.95Å; T129-A146 CarbonylContact C-O 3.5Å; T129-A146 WeakPolarHBondContact CA-O 3.16Å; T129-A146 WeakPolarHBondContact CB-O 3.28Å; T129-Q147 HydrophobicContact CG2-CG 4.05Å; T129-L239 HydrophobicContact CG2-CD1 4.27Å
130V98.8Very high96.6Very high0 Ų027.8 Ų27.80%016%0.156CC..EExtended strand (participates in β ladder)trans-112.7129.3165.3-176.50000107.3A20 I24 I55 I132 I145 A146A20-V130 HydrophobicContact CB-CG1 4.03Å; A20-V130 HydrophobicContact CB-CG2 4.07Å; I24-V130 HydrophobicContact CD1-CG2 3.34Å; I55-V130 HydrophobicContact CD1-CG1 3.82Å; V130-I132 HydrophobicContact CG1-CG1 4.42Å; V130-I145 WeakPolarHBondContact O-CA 3.28Å; V130-A146 HydrophobicContact CB-CB 4.21Å; V130-A146 PolarHBondContact N-O 3.22Å; V130-A146 PolarHBondContact O-N 3.2Å
131L98.9Very high96.8Very high0 Ų028.3 Ų28.30%016%0.16CC..EExtended strand (participates in β ladder)trans-113.6124-178.2-44.2178.6000110.2V111 D112 D115 T129 V144 I145 A263 P264V111-L131 WeakPolarHBondContact CA-O 3.31Å; D112-L131 HydrophobicContact CB-CB 3.8Å; D112-L131 HydrophobicContact CB-CD1 3.93Å; D112-L131 HydrophobicContact CB-CG 3.96Å; D112-L131 PolarHBondContact N-O 3.1Å; D112-L131 PolarHBondContact O-N 3.21Å; D115-L131 HydrophobicContact CB-CD1 3.75Å; D115-L131 HydrophobicContact CB-CG 3.87Å; T129-L131 WeakPolarHBondContact OG1-CD2 3.24Å; L131-V144 WeakPolarHBondContact CA-O 3.48Å; L131-I145 HydrophobicContact CD2-CB 4.29Å; L131-I145 HydrophobicContact CD2-CG1 4.15Å; L131-I145 HydrophobicContact CD2-CG2 3.86Å; L131-A263 HydrophobicContact CB-CB 3.93Å; L131-P264 HydrophobicContact CD1-CG 3.91Å; L131-P264 HydrophobicContact CD2-CG 3.99Å
132I98.9Very high97.1Very high0 Ų026.5 Ų26.50%015%0.149CC..EExtended strand (participates in β ladder)trans-128.199.4171.5-52.9178.2000107.4L16 A17 I55 V109 V111 V130 G143 V144 A263L16-I132 HydrophobicContact CB-CD1 4.45Å; A17-I132 HydrophobicContact CB-CD1 4Å; I55-I132 HydrophobicContact CD1-CD1 3.95Å; I55-I132 HydrophobicContact CD1-CG1 4.33Å; I55-I132 HydrophobicContact CG1-CD1 4.08Å; I55-I132 HydrophobicContact CG2-CD1 3.9Å; I55-I132 HydrophobicContact CG2-CG1 4.41Å; V109-I132 HydrophobicContact CG1-CG2 3.62Å; V111-I132 HydrophobicContact CG2-CG2 4.47Å; V130-I132 HydrophobicContact CG1-CG1 4.42Å; I132-G143 CarbonylContact O-C 3.58Å; I132-G143 WeakPolarHBondContact O-CA 3.5Å; I132-V144 HydrophobicContact CB-CB 4.41Å; I132-V144 PolarHBondContact N-O 2.98Å; I132-V144 PolarHBondContact O-N 3Å; I132-A263 VanDerWaalsContact C-CB 3.48Å
133G98.9Very high97.4Very high0 Ų022.1 Ų22.10%013%0.128CC..EExtended strand (participates in β ladder)trans-96.1137.2-178.800000111.5V109 W110V109-G133 CarbonylContact C-O 3.33Å; V109-G133 VanDerWaalsContact CA-O 3.24Å; V109-G133 WeakPolarHBondContact CA-O 3.32Å; W110-G133 PolarHBondContact N-O 2.86Å; W110-G133 PolarHBondContact O-N 2.93Å
134I98.8Very high97.7Very high0 Ų020.5 Ų20.50%011%0.111CC..EExtended strand (participates in β ladder)trans-114.2115.2178.2-54.4167.9000107.5I9 L10 I107 V109 V141 G142I9-I134 HydrophobicContact CB-CD1 4.48Å; I9-I134 HydrophobicContact CG2-CD1 3.83Å; I9-I134 HydrophobicContact CG2-CG1 4.13Å; L10-I134 HydrophobicContact CB-CD1 3.9Å; L10-I134 HydrophobicContact CD1-CD1 3.98Å; I107-I134 HydrophobicContact CG2-CG2 3.96Å; V109-I134 HydrophobicContact CG2-CG1 4.43Å; I134-V141 HydrophobicContact CG2-CG2 4.28Å; I134-V141 WeakPolarHBondContact O-CG2 3.42Å; I134-V141 PolarHBondContact O-N 3.27Å; I134-G142 WeakPolarHBondContact CA-O 3.29Å; I134-G142 PolarHBondContact N-O 3Å; I134-G142 PolarHBondContact O-N 3.44Å
135S98.7Very high98Very high0 Ų018 Ų180%010%0.099CC..EExtended strand (participates in β ladder)trans-102.9148.9171.970.70000111.2I107 V108 K139 Y285I107-S135 VanDerWaalsContact CA-O 3.31Å; I107-S135 WeakPolarHBondContact CA-O 3.37Å; V108-S135 WeakPolarHBondContact CB-OG 3.06Å; V108-S135 PolarHBondContact N-O 3.37Å; V108-S135 PolarHBondContact O-N 2.86Å; V108-S135 PolarHBondContact O-OG 3.2Å; S135-K139 CarbonylContact C-O 3.46Å; S135-K139 WeakPolarHBondContact CA-O 3.09Å; S135-K139 WeakPolarHBondContact CB-O 3.42Å; S135-Y285 PolarHBondContact OG-O 3.25Å
136L98.2Very high98.2Very high25 Ų2517.6 Ų17.613%0.13110%0.096CC..EExtended strand (participates in β ladder)trans-131.8122.5173.6177.767000108.3L99 C102 D106 I107 G138 K139 V141L99-L136 HydrophobicContact CD2-CD2 3.82Å; C102-L136 HydrophobicContact CB-CD1 3.56Å; C102-L136 HydrophobicContact CB-CD2 3.91Å; C102-L136 HydrophobicContact CB-CG 4.41Å; D106-L136 HydrophobicContact CB-CD1 3.7Å; D106-L136 WeakPolarHBondContact O-CA 3.45Å; I107-L136 HydrophobicContact CG1-CD1 3.72Å; L136-G138 PolarHBondContact O-N 3.12Å; L136-K139 PolarHBondContact N-O 3.18Å; L136-K139 PolarHBondContact O-N 3.24Å; L136-V141 HydrophobicContact CB-CB 4.49Å; L136-V141 HydrophobicContact CB-CG1 3.89Å; L136-V141 HydrophobicContact CB-CG2 3.75Å
137A96.6Very high98.4Very high73 Ų7313.9 Ų13.960%0.6038%0.079SC*.THydrogen-bonded Turntrans49.142.5-174.800000112.3D106 K139D106-A137 PolarHBondContact O-N 3.28Å; A137-K139 VanDerWaalsContact C-N 3.27Å; A137-K139 PolarHBondContact O-N 2.81Å
138G97.5Very high98.4Very high8 Ų813 Ų138%0.0828%0.075CC..THydrogen-bonded Turntrans74.91.1179.500000116.5L136 Y285L136-G138 PolarHBondContact O-N 3.12Å; G138-Y285 PolarHBondContact O-N 3.12Å
139K98.2Very high98.3Very high143 Ų14313.5 Ų13.562%0.6228%0.077SC*.EExtended strand (participates in β ladder)trans-99.7136.9175-63.6179.3-177.2174.90110.6S135 L136 A137 V141S135-K139 CarbonylContact C-O 3.46Å; S135-K139 WeakPolarHBondContact CA-O 3.09Å; S135-K139 WeakPolarHBondContact CB-O 3.42Å; L136-K139 PolarHBondContact N-O 3.18Å; L136-K139 PolarHBondContact O-N 3.24Å; A137-K139 VanDerWaalsContact C-N 3.27Å; A137-K139 PolarHBondContact O-N 2.81Å; K139-V141 PolarHBondContact O-N 3.04Å
140P98.5Very high98.1Very high4 Ų416.1 Ų16.13%0.0269%0.088CC..EExtended strand (participates in β ladder)trans-74.3115.5175.230.1-29000109.2E265 A266 Y285P140-E265 HydrophobicContact CB-CG 4.43Å; P140-E265 HydrophobicContact CG-CB 4.19Å; P140-E265 HydrophobicContact CG-CG 3.64Å; P140-E265 VanDerWaalsContact CG-OE1 3.26Å; P140-E265 WeakPolarHBondContact CG-OE1 3.22Å; P140-A266 HydrophobicContact CB-CB 4.05Å; P140-Y285 HydrophobicContact CB-CD2 4.15Å; P140-Y285 HydrophobicContact CB-CE2 4.08Å; P140-Y285 HydrophobicContact CG-CD2 3.95Å; P140-Y285 HydrophobicContact CG-CE2 3.67Å
141V98.6Very high97.6Very high13 Ų1320.2 Ų20.28%0.07911%0.105CC..EExtended strand (participates in β ladder)trans-111.5-27.6-173.7-66.30000113.1V6 L99 I134 L136 K139 L171 V172V6-V141 HydrophobicContact CG2-CG2 4.48Å; L99-V141 HydrophobicContact CD1-CB 4.28Å; L99-V141 HydrophobicContact CD2-CB 4.11Å; L99-V141 HydrophobicContact CD2-CG1 3.86Å; I134-V141 HydrophobicContact CG2-CG2 4.28Å; I134-V141 WeakPolarHBondContact O-CG2 3.42Å; I134-V141 PolarHBondContact O-N 3.27Å; L136-V141 HydrophobicContact CB-CB 4.49Å; L136-V141 HydrophobicContact CB-CG1 3.89Å; L136-V141 HydrophobicContact CB-CG2 3.75Å; K139-V141 PolarHBondContact O-N 3.04Å; V141-L171 CarbonylContact O-C 3.38Å; V141-L171 WeakPolarHBondContact O-CA 3.43Å; V141-L171 WeakPolarHBondContact O-CD1 3.25Å; V141-V172 WeakPolarHBondContact O-CG2 3.38Å; V141-V172 PolarHBondContact O-N 2.9Å
142G98.7Very high96.6Very high0 Ų023.3 Ų23.30%013%0.131CC..EExtended strand (participates in β ladder)trans-151165.1176.400000111.5I134 G170 A266I134-G142 WeakPolarHBondContact CA-O 3.29Å; I134-G142 PolarHBondContact N-O 3Å; I134-G142 PolarHBondContact O-N 3.44Å; G142-G170 CarbonylContact C-O 3.5Å; G142-G170 WeakPolarHBondContact CA-O 3.13Å; G142-A266 WeakPolarHBondContact O-CB 3.37Å
143G98.8Very high95.4Very high0 Ų029 Ų290%016%0.161CC..EExtended strand (participates in β ladder)trans-177.2169.9177.100000114.2I132 W169 G170 V267I132-G143 CarbonylContact O-C 3.58Å; I132-G143 WeakPolarHBondContact O-CA 3.5Å; G143-W169 CarbonylContact O-C 3.56Å; G143-W169 VanDerWaalsContact O-CA 3.23Å; G143-W169 WeakPolarHBondContact O-CA 3.38Å; G143-W169 WeakPolarHBondContact O-CB 3.45Å; G143-G170 PolarHBondContact N-O 2.82Å; G143-G170 PolarHBondContact O-N 2.9Å; G143-V267 WeakPolarHBondContact O-CG2 3.33Å
144V98.9Very high93.8Very high0 Ų034 Ų340%019%0.194CC..EExtended strand (participates in β ladder)trans-128.1132.2177.7-171.40000109L10 V14 A17 L131 I132 A146 I167 V168 W169 A263L10-V144 HydrophobicContact CD1-CG2 4.23Å; V14-V144 HydrophobicContact CG2-CG2 3.75Å; A17-V144 HydrophobicContact CB-CB 4.43Å; A17-V144 HydrophobicContact CB-CG1 3.66Å; L131-V144 WeakPolarHBondContact CA-O 3.48Å; I132-V144 HydrophobicContact CB-CB 4.41Å; I132-V144 PolarHBondContact N-O 2.98Å; I132-V144 PolarHBondContact O-N 3Å; V144-A146 HydrophobicContact CG1-CB 4.43Å; V144-I167 HydrophobicContact CG1-CG2 3.6Å; V144-V168 CarbonylContact C-O 3.53Å; V144-V168 WeakPolarHBondContact CA-O 3.36Å; V144-W169 HydrophobicContact CG1-CB 4.48Å; V144-W169 HydrophobicContact CG2-CB 4.07Å; V144-A263 WeakPolarHBondContact O-CB 3.43Å
145I98.9Very high92.1Very high0 Ų040 Ų400%023%0.231CC..EExtended strand (participates in β ladder)trans-118.7103.7166.9-50.4172000106.4T129 V130 L131 V168 V238 L239 P264 V267T129-I145 HydrophobicContact CG2-CG2 3.95Å; V130-I145 WeakPolarHBondContact O-CA 3.28Å; L131-I145 HydrophobicContact CD2-CB 4.29Å; L131-I145 HydrophobicContact CD2-CG1 4.15Å; L131-I145 HydrophobicContact CD2-CG2 3.86Å; I145-V168 PolarHBondContact N-O 3.38Å; I145-V168 WeakPolarHBondContact O-CB 3.47Å; I145-V168 PolarHBondContact O-N 2.81Å; I145-V238 HydrophobicContact CD1-CB 4.42Å; I145-V238 HydrophobicContact CD1-CG1 4.06Å; I145-L239 HydrophobicContact CB-CD2 4.36Å; I145-L239 HydrophobicContact CD1-CD2 4.26Å; I145-L239 HydrophobicContact CG2-CD1 3.87Å; I145-L239 HydrophobicContact CG2-CD2 4.12Å; I145-L239 HydrophobicContact CG2-CG 3.94Å; I145-P264 HydrophobicContact CD1-CB 4.22Å; I145-P264 HydrophobicContact CD1-CG 4.32Å; I145-P264 HydrophobicContact CG1-CG 4.43Å; I145-V267 HydrophobicContact CD1-CB 4.11Å; I145-V267 HydrophobicContact CD1-CG1 4.25Å; I145-V267 HydrophobicContact CD1-CG2 4.26Å; I145-V267 HydrophobicContact CG1-CG2 4.13Å
146A98.8Very high90.1Very high0 Ų042.2 Ų42.20%025%0.249CC..EExtended strand (participates in β ladder)trans-103.9131.4-17900000111.2A17 C21 T129 V130 V144 P148 R166 I167A17-A146 HydrophobicContact CB-CB 3.81Å; C21-A146 VanDerWaalsContact SG-CB 3.56Å; T129-A146 CarbonylContact C-O 3.5Å; T129-A146 WeakPolarHBondContact CA-O 3.16Å; T129-A146 WeakPolarHBondContact CB-O 3.28Å; V130-A146 HydrophobicContact CB-CB 4.21Å; V130-A146 PolarHBondContact N-O 3.22Å; V130-A146 PolarHBondContact O-N 3.2Å; V144-A146 HydrophobicContact CG1-CB 4.43Å; A146-P148 WeakPolarHBondContact O-CD 3.19Å; A146-R166 CarbonylContact C-O 3.58Å; A146-R166 WeakPolarHBondContact CA-O 3.41Å; A146-I167 HydrophobicContact CB-CD1 3.39Å
147Q98.2Very high87.9Confident6 Ų649.3 Ų49.33%0.02829%0.287CS..EExtended strand (participates in β ladder)trans-100.7110.3174.3-64-176.8-81.300109.1T129 F149 Y150 T165 R166 L239T129-Q147 HydrophobicContact CG2-CG 4.05Å; Q147-F149 PolarHBondContact O-N 3.27Å; Q147-Y150 VanDerWaalsContact OE1-CD2 3.23Å; Q147-T165 WeakPolarHBondContact O-CA 3.33Å; Q147-R166 HydrophobicContact CB-CB 4.34Å; Q147-R166 PolarHBondContact N-O 3.02Å; Q147-R166 PolarHBondContact O-N 3.14Å; Q147-R166 VanDerWaalsContact OE1-CD 3.27Å; Q147-R166 VanDerWaalsContact OE1-NH1 3.1Å; Q147-L239 HydrophobicContact CG-CD1 3.5Å; Q147-L239 VanDerWaalsContact CG-CD1 3.5Å
148P97.3Very high85.7Confident0 Ų050 Ų500%028%0.284CS..EExtended strand (participates in β ladder)trans-66.2-27.6174.820.2-28.6000113.2C21 I24 R25 V128 A146C21-P148 HydrophobicContact CB-CB 3.92Å; I24-P148 HydrophobicContact CB-CB 4.32Å; I24-P148 HydrophobicContact CB-CG 4.45Å; I24-P148 HydrophobicContact CD1-CG 4.28Å; I24-P148 HydrophobicContact CG2-CB 4.13Å; I24-P148 HydrophobicContact CG2-CG 3.95Å; R25-P148 HydrophobicContact CG-CB 4.34Å; R25-P148 PolarHBondContact NH1-O 3.35Å; V128-P148 HydrophobicContact CB-CG 4.24Å; V128-P148 HydrophobicContact CG1-CG 3.74Å; V128-P148 WeakPolarHBondContact O-CD 3.34Å; A146-P148 WeakPolarHBondContact O-CD 3.19Å
149F95.9Very high83.6Confident11 Ų1156.9 Ų56.95%0.04832%0.324CS..EExtended strand (participates in β ladder)trans-122.158.4-175.7-54.1-80.7000112.3I24 R25 Y28 F120 I125 Q147 Y163I24-F149 HydrophobicContact CG2-CE2 3.8Å; I24-F149 HydrophobicContact CG2-CZ 4.27Å; R25-F149 HydrophobicContact CB-CE1 4.44Å; R25-F149 HydrophobicContact CG-CD1 4.19Å; R25-F149 HydrophobicContact CG-CE1 3.65Å; R25-F149 HydrophobicContact CG-CZ 3.91Å; Y28-F149 HydrophobicContact CD1-CE1 4.07Å; Y28-F149 HydrophobicContact CD1-CZ 4.04Å; Y28-F149 HydrophobicContact CG-CE1 4.36Å; Y28-F149 AromaticContact CG-CZ 3.86Å; Y28-F149 HydrophobicContact CG-CZ 3.86Å; F120-F149 HydrophobicContact CD2-CE2 4.41Å; F120-F149 HydrophobicContact CE2-CE2 4.08Å; F120-F149 HydrophobicContact CE2-CZ 4.34Å; I125-F149 HydrophobicContact CB-CB 4.29Å; I125-F149 HydrophobicContact CB-CD1 4.45Å; I125-F149 HydrophobicContact CB-CD2 3.62Å; I125-F149 HydrophobicContact CB-CE2 3.96Å; I125-F149 HydrophobicContact CB-CG 3.89Å; I125-F149 HydrophobicContact CB-CZ 4.49Å; I125-F149 HydrophobicContact CD1-CB 4.23Å; I125-F149 HydrophobicContact CD1-CD1 3.68Å; I125-F149 HydrophobicContact CD1-CD2 4.41Å; I125-F149 HydrophobicContact CD1-CE1 4.04Å; I125-F149 HydrophobicContact CD1-CG 3.86Å; I125-F149 HydrophobicContact CG1-CB 4.27Å; I125-F149 HydrophobicContact CG1-CD1 4.45Å; I125-F149 HydrophobicContact CG1-CD2 4.39Å; I125-F149 HydrophobicContact CG1-CG 4.14Å; I125-F149 HydrophobicContact CG2-CD2 4.3Å; I125-F149 HydrophobicContact CG2-CE2 4.12Å; I125-F149 HydrophobicContact CG2-CZ 4.43Å; I125-F149 WeakPolarHBondContact O-CD2 3.32Å; Q147-F149 PolarHBondContact O-N 3.27Å; F149-Y163 HydrophobicContact CB-CD1 3.7Å; F149-Y163 HydrophobicContact CB-CD2 4.47Å; F149-Y163 HydrophobicContact CB-CE1 4.08Å; F149-Y163 HydrophobicContact CB-CG 3.91Å; F149-Y163 HydrophobicContact CD1-CD2 4.23Å; F149-Y163 HydrophobicContact CD1-CG 4.19Å; F149-Y163 WeakPolarHBondContact O-CD1 3.2Å; F149-Y163 WeakPolarHBondContact O-CE1 3.36Å
150Y94.6Very high81.4Confident56 Ų5654 Ų5422%0.2232%0.316CS..EExtended strand (participates in β ladder)trans-84.2135.4177.6-179.3-112.7000112.4Q147 A152 Y163 T164 R166Q147-Y150 VanDerWaalsContact OE1-CD2 3.23Å; Y150-A152 HydrophobicContact CD1-CB 4.46Å; Y150-A152 HydrophobicContact CE1-CB 3.9Å; Y150-Y163 WeakPolarHBondContact O-CA 3.48Å; Y150-T164 WeakPolarHBondContact CB-O 3.43Å; Y150-T164 PolarHBondContact N-O 3.21Å; Y150-T164 PolarHBondContact O-N 3.35Å; Y150-R166 HydrophobicContact CD1-CB 3.73Å; Y150-R166 HydrophobicContact CD1-CG 4.23Å; Y150-R166 HydrophobicContact CD2-CB 4.28Å; Y150-R166 HydrophobicContact CE1-CB 4.44Å; Y150-R166 HydrophobicContact CE1-CG 4.47Å; Y150-R166 VanDerWaalsContact CE2-NH1 3.29Å; Y150-R166 HydrophobicContact CG-CB 3.61Å; Y150-R166 HydrophobicContact CG-CG 4.3Å
151K88Confident79.6Confident86 Ų8657.5 Ų57.537%0.37434%0.338SS..  trans-106.6108.1170-85.8167.8173.4165.60109.6N153 Y163K151-N153 VanDerWaalsContact C-N 3.31Å; K151-N153 PolarHBondContact O-N 3.42Å; K151-Y163 HydrophobicContact CD-CD1 4.17Å; K151-Y163 HydrophobicContact CD-CE1 3.51Å; K151-Y163 WeakPolarHBondContact CE-OH 3.23Å; K151-Y163 HydrophobicContact CG-CD1 3.65Å; K151-Y163 HydrophobicContact CG-CE1 3.51Å; K151-Y163 PolarHBondContact NZ-OH 2.97Å
152A77.5Confident78.5Confident64 Ų6461.8 Ų61.853%0.52936%0.361SS..SBendtrans-64.1-36.3177.600000112.7Y150Y150-A152 HydrophobicContact CD1-CB 4.46Å; Y150-A152 HydrophobicContact CE1-CB 3.9Å
153N73.3Confident77.8Confident121 Ų12164.3 Ų64.365%0.64737%0.371SS*.  trans-125.379.9179.4-70.5-32.9000110.5K151 T155 A156K151-N153 VanDerWaalsContact C-N 3.31Å; K151-N153 PolarHBondContact O-N 3.42Å; N153-T155 PolarHBondContact O-N 3.39Å; N153-T155 VanDerWaalsContact O-N 3.11Å; N153-A156 HydrophobicContact CB-CB 4.09Å; N153-A156 WeakPolarHBondContact O-CB 3.38Å; N153-A156 PolarHBondContact O-N 3.43Å; N153-A156 VanDerWaalsContact O-N 3.12Å
154P65.9Low77.4Confident105 Ų10567.8 Ų67.868%0.68239%0.392SS*.THydrogen-bonded Turntrans-63.8-16.6-17923.7-31.2000113.6
155T62.2Low77.2Confident126 Ų12669.4 Ų69.477%0.77340%0.402SS*.THydrogen-bonded Turntrans-91.8-3.5177.755.10000114.2N153 N157N153-T155 PolarHBondContact O-N 3.39Å; N153-T155 VanDerWaalsContact O-N 3.11Å; T155-N157 PolarHBondContact O-N 2.89Å
156A58.5Low77.1Confident46 Ų4670.7 Ų70.738%0.3841%0.407SS..  trans-67117.9174.300000108.8N153 T158N153-A156 HydrophobicContact CB-CB 4.09Å; N153-A156 WeakPolarHBondContact O-CB 3.38Å; N153-A156 PolarHBondContact O-N 3.43Å; N153-A156 VanDerWaalsContact O-N 3.12Å; A156-T158 HydrophobicContact CB-CG2 4.4Å; A156-T158 PolarHBondContact O-N 2.7Å
157N51.8Low77.1Confident173 Ų17372.3 Ų72.393%0.92542%0.415SS*.  trans-68.435.6174.9-85-11.4000112.8T155T155-N157 PolarHBondContact O-N 2.89Å
158T49.8Very low77.1Confident89 Ų8972 Ų7255%0.54641%0.414SS..  trans-89.3126.2174570000108.3A156 D160A156-T158 HydrophobicContact CB-CG2 4.4Å; A156-T158 PolarHBondContact O-N 2.7Å; T158-D160 PolarHBondContact O-N 3.04Å; T158-D160 VanDerWaalsContact O-N 3.08Å
159T53.4Low77.2Confident152 Ų15273 Ų7393%0.93342%0.418SS*.SBendtrans-64.1-5167.849.50000112.9P161T159-P161 VanDerWaalsContact O-CD 3.27Å; T159-P161 WeakPolarHBondContact O-CD 3.45Å
160D51.8Low77.3Confident82 Ų8272.5 Ų72.544%0.43942%0.415SS..  trans-81.8110.9177-163.6-7.7000109.7T158 N162T158-D160 PolarHBondContact O-N 3.04Å; T158-D160 VanDerWaalsContact O-N 3.08Å; D160-N162 VanDerWaalsContact CG-CG 3.4Å; D160-N162 PolarHBondContact O-N 2.74Å; D160-N162 PolarHBondContact OD1-OD1 3.48Å; D160-N162 VanDerWaalsContact OD2-CG 3.28Å; D160-N162 PolarHBondContact OD2-ND2 2.52Å; D160-N162 PolarHBondContact OD2-OD1 3.02Å
161P61.6Low77.5Confident78 Ų7869.9 Ų69.951%0.50641%0.405SS..  trans-74.969.2170.834.7-32.8000108.1T159 Y163T159-P161 VanDerWaalsContact O-CD 3.27Å; T159-P161 WeakPolarHBondContact O-CD 3.45Å; P161-Y163 HydrophobicContact CB-CD2 3.84Å; P161-Y163 HydrophobicContact CB-CE2 3.73Å; P161-Y163 PolarHBondContact O-N 3.43Å
162N73.6Confident78Confident103 Ų10367.7 Ų67.755%0.55140%0.399SS*.  trans-71.267.4175.1-85.9-38.5000110.1D160D160-N162 VanDerWaalsContact CG-CG 3.4Å; D160-N162 PolarHBondContact O-N 2.74Å; D160-N162 PolarHBondContact OD1-OD1 3.48Å; D160-N162 VanDerWaalsContact OD2-CG 3.28Å; D160-N162 PolarHBondContact OD2-ND2 2.52Å; D160-N162 PolarHBondContact OD2-OD1 3.02Å
163Y84.9Confident79Confident52 Ų5267.8 Ų67.820%0.20441%0.406CS..  trans-70.2132.9169.7-73.2-61.3000109.1I125 F149 Y150 K151 P161I125-Y163 HydrophobicContact CD1-CD2 4.09Å; I125-Y163 HydrophobicContact CD1-CE2 3.55Å; I125-Y163 HydrophobicContact CG1-CE2 4.37Å; F149-Y163 HydrophobicContact CB-CD1 3.7Å; F149-Y163 HydrophobicContact CB-CD2 4.47Å; F149-Y163 HydrophobicContact CB-CE1 4.08Å; F149-Y163 HydrophobicContact CB-CG 3.91Å; F149-Y163 HydrophobicContact CD1-CD2 4.23Å; F149-Y163 HydrophobicContact CD1-CG 4.19Å; F149-Y163 WeakPolarHBondContact O-CD1 3.2Å; F149-Y163 WeakPolarHBondContact O-CE1 3.36Å; Y150-Y163 WeakPolarHBondContact O-CA 3.48Å; K151-Y163 HydrophobicContact CD-CD1 4.17Å; K151-Y163 HydrophobicContact CD-CE1 3.51Å; K151-Y163 WeakPolarHBondContact CE-OH 3.23Å; K151-Y163 HydrophobicContact CG-CD1 3.65Å; K151-Y163 HydrophobicContact CG-CE1 3.51Å; K151-Y163 PolarHBondContact NZ-OH 2.97Å; P161-Y163 HydrophobicContact CB-CD2 3.84Å; P161-Y163 HydrophobicContact CB-CE2 3.73Å; P161-Y163 PolarHBondContact O-N 3.43Å
164T89.9Confident80.1Confident73 Ų7364.3 Ų64.345%0.44839%0.387SS..EExtended strand (participates in β ladder)trans-121.7161.9173.560.10000110.3Y150Y150-T164 WeakPolarHBondContact CB-O 3.43Å; Y150-T164 PolarHBondContact N-O 3.21Å; Y150-T164 PolarHBondContact O-N 3.35Å
165T95.1Very high81.6Confident35 Ų3560.2 Ų60.222%0.21536%0.364CS..EExtended strand (participates in β ladder)trans-67.3133.6164.2-51.20000108.6D18 C21 R25 Q147 I167D18-T165 WeakPolarHBondContact OD1-CG2 3.45Å; D18-T165 PolarHBondContact OD1-OG1 2.91Å; C21-T165 HydrophobicContact CB-CG2 3.73Å; R25-T165 VanDerWaalsContact CZ-OG1 3.3Å; R25-T165 PolarHBondContact NH1-OG1 2.93Å; R25-T165 PolarHBondContact NH2-OG1 2.83Å; Q147-T165 WeakPolarHBondContact O-CA 3.33Å; T165-I167 HydrophobicContact CG2-CD1 3.38Å; T165-I167 HydrophobicContact CG2-CG1 3.93Å
166R97.3Very high83.4Confident27 Ų2755.1 Ų55.110%0.10233%0.333CS..EExtended strand (participates in β ladder)trans-117.4126.3159.3-178.9-163.5-175.3-178.88.1109.3A146 Q147 Y150 V168 G178 E243A146-R166 CarbonylContact C-O 3.58Å; A146-R166 WeakPolarHBondContact CA-O 3.41Å; Q147-R166 HydrophobicContact CB-CB 4.34Å; Q147-R166 PolarHBondContact N-O 3.02Å; Q147-R166 PolarHBondContact O-N 3.14Å; Q147-R166 VanDerWaalsContact OE1-CD 3.27Å; Q147-R166 VanDerWaalsContact OE1-NH1 3.1Å; Y150-R166 HydrophobicContact CD1-CB 3.73Å; Y150-R166 HydrophobicContact CD1-CG 4.23Å; Y150-R166 HydrophobicContact CD2-CB 4.28Å; Y150-R166 HydrophobicContact CE1-CB 4.44Å; Y150-R166 HydrophobicContact CE1-CG 4.47Å; Y150-R166 VanDerWaalsContact CE2-NH1 3.29Å; Y150-R166 HydrophobicContact CG-CB 3.61Å; Y150-R166 HydrophobicContact CG-CG 4.3Å; R166-V168 HydrophobicContact CG-CG2 4.25Å; R166-G178 PolarHBondContact NE-O 3.12Å; R166-G178 PolarHBondContact NH2-O 3.03Å; R166-E243 IonicContact CZ-OE1 3.87Å; R166-E243 IonicContact NH1-OE1 2.91Å; R166-E243 PolarHBondContact NH1-OE1 3.02Å; R166-E243 IonicContact NH2-OE1 2.76Å
167I98.4Very high85.3Confident33 Ų3354.9 Ų54.917%0.16932%0.323CS..EExtended strand (participates in β ladder)trans-104.5110.9174.4-51.5-60.5000109V14 A17 D18 V144 A146 T165 G178V14-I167 HydrophobicContact CG1-CG2 4.05Å; V14-I167 HydrophobicContact CG2-CG2 4.5Å; A17-I167 HydrophobicContact CB-CD1 4.34Å; D18-I167 HydrophobicContact CB-CD1 4.01Å; D18-I167 HydrophobicContact CB-CG1 4.31Å; V144-I167 HydrophobicContact CG1-CG2 3.6Å; A146-I167 HydrophobicContact CB-CD1 3.39Å; T165-I167 HydrophobicContact CG2-CD1 3.38Å; T165-I167 HydrophobicContact CG2-CG1 3.93Å; I167-G178 WeakPolarHBondContact O-CA 3.06Å
168V98.7Very high87.4Confident0 Ų048.9 Ų48.90%030%0.302CS..EExtended strand (participates in β ladder)trans-98131168.51780000108.2V144 I145 R166 V176 F177 V179 L239 L242 V267V144-V168 CarbonylContact C-O 3.53Å; V144-V168 WeakPolarHBondContact CA-O 3.36Å; I145-V168 PolarHBondContact N-O 3.38Å; I145-V168 WeakPolarHBondContact O-CB 3.47Å; I145-V168 PolarHBondContact O-N 2.81Å; R166-V168 HydrophobicContact CG-CG2 4.25Å; V168-V176 HydrophobicContact CG1-CG1 3.9Å; V168-F177 WeakPolarHBondContact CA-O 3.37Å; V168-V179 HydrophobicContact CG1-CB 4.4Å; V168-V179 HydrophobicContact CG1-CG1 3.67Å; V168-V179 HydrophobicContact CG2-CB 4.14Å; V168-V179 HydrophobicContact CG2-CG1 4.31Å; V168-L239 HydrophobicContact CB-CD2 4.05Å; V168-L239 HydrophobicContact CG1-CD2 4.14Å; V168-L239 HydrophobicContact CG2-CD2 3.82Å; V168-L242 HydrophobicContact CG1-CD1 4.48Å; V168-V267 HydrophobicContact CG1-CG1 3.93Å
169W98.8Very high89.7Confident22 Ų2245.2 Ų45.28%0.08328%0.279CS..EExtended strand (participates in β ladder)trans-142.9158177.962.7-87000110.9L10 V14 V90 Y93 G143 V144 L174 V176 F177L10-W169 HydrophobicContact CD1-CE3 4.45Å; L10-W169 HydrophobicContact CD2-CE3 3.74Å; L10-W169 HydrophobicContact CD2-CZ3 3.81Å; L10-W169 HydrophobicContact CG-CE3 4.26Å; V14-W169 HydrophobicContact CG2-CB 3.86Å; V14-W169 HydrophobicContact CG2-CD2 4.28Å; V14-W169 HydrophobicContact CG2-CG 3.75Å; V90-W169 HydrophobicContact CB-CH2 4.43Å; V90-W169 HydrophobicContact CG1-CH2 4.32Å; V90-W169 HydrophobicContact CG1-CZ3 4.33Å; V90-W169 HydrophobicContact CG2-CD2 4.29Å; V90-W169 HydrophobicContact CG2-CH2 4.09Å; V90-W169 HydrophobicContact CG2-CZ2 3.78Å; V90-W169 HydrophobicContact CG2-CZ3 4.46Å; Y93-W169 AromaticContact CD2-CH2 3.88Å; Y93-W169 HydrophobicContact CD2-CH2 3.88Å; Y93-W169 HydrophobicContact CD2-CZ2 4.39Å; Y93-W169 HydrophobicContact CE2-CH2 4.03Å; Y93-W169 HydrophobicContact CE2-CZ2 4.16Å; G143-W169 CarbonylContact O-C 3.56Å; G143-W169 VanDerWaalsContact O-CA 3.23Å; G143-W169 WeakPolarHBondContact O-CA 3.38Å; G143-W169 WeakPolarHBondContact O-CB 3.45Å; V144-W169 HydrophobicContact CG1-CB 4.48Å; V144-W169 HydrophobicContact CG2-CB 4.07Å; W169-L174 HydrophobicContact CH2-CD2 4.48Å; W169-L174 HydrophobicContact CZ3-CD2 4.21Å; W169-V176 CarbonylContact O-C 3.59Å; W169-V176 WeakPolarHBondContact O-CA 3.46Å; W169-F177 HydrophobicContact CD2-CB 3.96Å; W169-F177 AromaticContact CD2-CD2 3.84Å; W169-F177 HydrophobicContact CD2-CD2 3.84Å; W169-F177 HydrophobicContact CD2-CG 4.24Å; W169-F177 VanDerWaalsContact CE2-CB 3.43Å; W169-F177 AromaticContact CE2-CD2 3.71Å; W169-F177 AromaticContact CE2-CG 3.72Å; W169-F177 AromaticContact CE3-CD2 3.61Å; W169-F177 HydrophobicContact CE3-CD2 3.61Å; W169-F177 HydrophobicContact CE3-CE2 4.23Å; W169-F177 HydrophobicContact CE3-CG 4.44Å; W169-F177 HydrophobicContact CG-CB 4.34Å; W169-F177 HydrophobicContact CH2-CB 4.36Å; W169-F177 HydrophobicContact CH2-CD1 4.36Å; W169-F177 AromaticContact CH2-CD2 3.19Å; W169-F177 HydrophobicContact CH2-CD2 3.19Å; W169-F177 AromaticContact CH2-CE2 3.41Å; W169-F177 HydrophobicContact CH2-CE2 3.41Å; W169-F177 VanDerWaalsContact CH2-CE2 3.41Å; W169-F177 AromaticContact CH2-CG 3.72Å; W169-F177 HydrophobicContact CH2-CG 3.72Å; W169-F177 HydrophobicContact CH2-CZ 4.1Å; W169-F177 HydrophobicContact CZ2-CB 3.66Å; W169-F177 HydrophobicContact CZ2-CD1 4.13Å; W169-F177 AromaticContact CZ2-CD2 3.41Å; W169-F177 HydrophobicContact CZ2-CD2 3.41Å; W169-F177 VanDerWaalsContact CZ2-CD2 3.41Å; W169-F177 HydrophobicContact CZ2-CE2 4.06Å; W169-F177 AromaticContact CZ2-CG 3.44Å; W169-F177 HydrophobicContact CZ2-CG 3.44Å; W169-F177 VanDerWaalsContact CZ2-CG 3.44Å; W169-F177 AromaticContact CZ3-CD2 3.3Å; W169-F177 HydrophobicContact CZ3-CD2 3.3Å; W169-F177 AromaticContact CZ3-CE2 3.51Å; W169-F177 HydrophobicContact CZ3-CE2 3.51Å; W169-F177 HydrophobicContact CZ3-CG 4.21Å; W169-F177 PolarHBondContact N-O 3.04Å; W169-F177 PolarHBondContact O-N 2.92Å
170G98.7Very high91.7Very high0 Ų044.9 Ų44.90%027%0.272CS..EExtended strand (participates in β ladder)trans-153.2156.8-179.100000112.4G142 G143 G175G142-G170 CarbonylContact C-O 3.5Å; G142-G170 WeakPolarHBondContact CA-O 3.13Å; G143-G170 PolarHBondContact N-O 2.82Å; G143-G170 PolarHBondContact O-N 2.9Å; G170-G175 VanDerWaalsContact CA-O 3.25Å; G170-G175 WeakPolarHBondContact CA-O 3.49Å
171L98.7Very high93.8Very high0 Ų044 Ų440%027%0.271CS..EExtended strand (participates in β ladder)trans-141.1126.1173.5-17576.2000108.2V6 M7 L10 P96 L99 V141 G173 L174 G175V6-L171 HydrophobicContact CG2-CD1 3.95Å; M7-L171 HydrophobicContact SD-CD2 3.5Å; M7-L171 WeakPolarHBondContact SD-CD2 3.32Å; L10-L171 HydrophobicContact CD2-CB 3.96Å; L10-L171 HydrophobicContact CD2-CD1 4.26Å; L10-L171 HydrophobicContact CD2-CD2 4.42Å; L10-L171 HydrophobicContact CD2-CG 4.47Å; P96-L171 HydrophobicContact CG-CD2 4.1Å; L99-L171 HydrophobicContact CD1-CD1 3.75Å; L99-L171 HydrophobicContact CD1-CD2 4.27Å; L99-L171 HydrophobicContact CD1-CG 3.89Å; V141-L171 CarbonylContact O-C 3.38Å; V141-L171 WeakPolarHBondContact O-CA 3.43Å; V141-L171 WeakPolarHBondContact O-CD1 3.25Å; L171-G173 PolarHBondContact O-N 2.8Å; L171-L174 HydrophobicContact CB-CB 4.07Å; L171-L174 HydrophobicContact CB-CD2 4.33Å; L171-L174 HydrophobicContact CD2-CB 4.27Å; L171-L174 HydrophobicContact CD2-CD2 4.16Å; L171-L174 HydrophobicContact CG-CB 4.49Å; L171-L174 WeakPolarHBondContact O-CB 3.16Å; L171-L174 PolarHBondContact O-N 2.77Å; L171-G175 PolarHBondContact N-O 2.77Å; L171-G175 VanDerWaalsContact N-O 3.07Å; L171-G175 PolarHBondContact O-N 2.97Å
172V98.3Very high95.4Very high40 Ų4045.6 Ų45.624%0.24227%0.274CS..THydrogen-bonded Turntrans-58.2129.1179.6175.10000109.2V141 L174 R269V141-V172 WeakPolarHBondContact O-CG2 3.38Å; V141-V172 PolarHBondContact O-N 2.9Å; V172-L174 VanDerWaalsContact C-N 3.32Å; V172-R269 HydrophobicContact CG2-CB 3.96Å
173G97.5Very high96.3Very high66 Ų6644.1 Ų44.168%0.6827%0.266SS*.THydrogen-bonded Turntrans86.5-9.4-174.900000115L171L171-G173 PolarHBondContact O-N 2.8Å
174L97.6Very high96.7Very high49 Ų4941.8 Ų41.826%0.25726%0.257SS..THydrogen-bonded Turntrans-109.2-44.8175-177.862.5000112.4M7 Y93 P96 W169 L171 V172 F177M7-L174 HydrophobicContact CE-CD2 4.46Å; Y93-L174 HydrophobicContact CD1-CD1 4.01Å; Y93-L174 HydrophobicContact CD1-CD2 4.43Å; Y93-L174 HydrophobicContact CG-CD1 4.38Å; Y93-L174 HydrophobicContact CG-CD2 4.11Å; P96-L174 HydrophobicContact CG-CB 4.04Å; W169-L174 HydrophobicContact CH2-CD2 4.48Å; W169-L174 HydrophobicContact CZ3-CD2 4.21Å; L171-L174 HydrophobicContact CB-CB 4.07Å; L171-L174 HydrophobicContact CB-CD2 4.33Å; L171-L174 HydrophobicContact CD2-CB 4.27Å; L171-L174 HydrophobicContact CD2-CD2 4.16Å; L171-L174 HydrophobicContact CG-CB 4.49Å; L171-L174 WeakPolarHBondContact O-CB 3.16Å; L171-L174 PolarHBondContact O-N 2.77Å; V172-L174 VanDerWaalsContact C-N 3.32Å; L174-F177 HydrophobicContact CD2-CE2 3.92Å; L174-F177 HydrophobicContact CD2-CZ 4.2Å; L174-F177 HydrophobicContact CG-CE2 3.9Å; L174-F177 HydrophobicContact CG-CZ 3.96Å
175G98.1Very high96.4Very high18 Ų1843 Ų4319%0.18627%0.269CS..EExtended strand (participates in β ladder)trans126.5-167.9-17700000113.3G170 L171 A270G170-G175 VanDerWaalsContact CA-O 3.25Å; G170-G175 WeakPolarHBondContact CA-O 3.49Å; L171-G175 PolarHBondContact N-O 2.77Å; L171-G175 VanDerWaalsContact N-O 3.07Å; L171-G175 PolarHBondContact O-N 2.97Å; G175-A270 WeakPolarHBondContact CA-O 3.41Å; G175-A270 WeakPolarHBondContact O-CB 3.33Å
176V98.4Very high95.8Very high20 Ų2042.7 Ų42.712%0.12127%0.268CS..EExtended strand (participates in β ladder)trans-119.8145.3179.1178.70000109.9V168 W169 V179 P181 V267 A270V168-V176 HydrophobicContact CG1-CG1 3.9Å; W169-V176 CarbonylContact O-C 3.59Å; W169-V176 WeakPolarHBondContact O-CA 3.46Å; V176-V179 HydrophobicContact CG1-CG1 3.47Å; V176-V179 VanDerWaalsContact CG1-CG1 3.47Å; V176-P181 HydrophobicContact CB-CG 4.39Å; V176-V267 HydrophobicContact CG1-CG1 3.79Å; V176-V267 HydrophobicContact CG2-CG1 3.97Å; V176-V267 WeakPolarHBondContact CG2-O 3.48Å; V176-A270 HydrophobicContact CG2-CB 3.7Å
177F98.5Very high94.8Very high41 Ų4147.6 Ų47.618%0.1829%0.29CS..EExtended strand (participates in β ladder)trans-134.5157.4-175.9-55.4-89.8000110.6Y93 V168 W169 L174 V179Y93-F177 HydrophobicContact CD1-CE1 4.21Å; Y93-F177 AromaticContact CD1-CZ 3.92Å; Y93-F177 HydrophobicContact CD1-CZ 3.92Å; Y93-F177 HydrophobicContact CE1-CD1 4.44Å; Y93-F177 AromaticContact CE1-CE1 3.38Å; Y93-F177 HydrophobicContact CE1-CE1 3.38Å; Y93-F177 AromaticContact CE1-CZ 3.57Å; Y93-F177 HydrophobicContact CE1-CZ 3.57Å; Y93-F177 HydrophobicContact CE2-CD1 4.37Å; Y93-F177 AromaticContact CE2-CE1 3.96Å; Y93-F177 HydrophobicContact CE2-CE1 3.96Å; Y93-F177 HydrophobicContact CE2-CZ 4.25Å; Y93-F177 HydrophobicContact CG-CZ 4.4Å; Y93-F177 AromaticContact CZ-CD1 3.89Å; Y93-F177 AromaticContact CZ-CE1 3.24Å; Y93-F177 AromaticContact CZ-CZ 3.76Å; Y93-F177 WeakPolarHBondContact OH-CE1 3.43Å; V168-F177 WeakPolarHBondContact CA-O 3.37Å; W169-F177 HydrophobicContact CD2-CB 3.96Å; W169-F177 AromaticContact CD2-CD2 3.84Å; W169-F177 HydrophobicContact CD2-CD2 3.84Å; W169-F177 HydrophobicContact CD2-CG 4.24Å; W169-F177 VanDerWaalsContact CE2-CB 3.43Å; W169-F177 AromaticContact CE2-CD2 3.71Å; W169-F177 AromaticContact CE2-CG 3.72Å; W169-F177 AromaticContact CE3-CD2 3.61Å; W169-F177 HydrophobicContact CE3-CD2 3.61Å; W169-F177 HydrophobicContact CE3-CE2 4.23Å; W169-F177 HydrophobicContact CE3-CG 4.44Å; W169-F177 HydrophobicContact CG-CB 4.34Å; W169-F177 HydrophobicContact CH2-CB 4.36Å; W169-F177 HydrophobicContact CH2-CD1 4.36Å; W169-F177 AromaticContact CH2-CD2 3.19Å; W169-F177 HydrophobicContact CH2-CD2 3.19Å; W169-F177 AromaticContact CH2-CE2 3.41Å; W169-F177 HydrophobicContact CH2-CE2 3.41Å; W169-F177 VanDerWaalsContact CH2-CE2 3.41Å; W169-F177 AromaticContact CH2-CG 3.72Å; W169-F177 HydrophobicContact CH2-CG 3.72Å; W169-F177 HydrophobicContact CH2-CZ 4.1Å; W169-F177 HydrophobicContact CZ2-CB 3.66Å; W169-F177 HydrophobicContact CZ2-CD1 4.13Å; W169-F177 AromaticContact CZ2-CD2 3.41Å; W169-F177 HydrophobicContact CZ2-CD2 3.41Å; W169-F177 VanDerWaalsContact CZ2-CD2 3.41Å; W169-F177 HydrophobicContact CZ2-CE2 4.06Å; W169-F177 AromaticContact CZ2-CG 3.44Å; W169-F177 HydrophobicContact CZ2-CG 3.44Å; W169-F177 VanDerWaalsContact CZ2-CG 3.44Å; W169-F177 AromaticContact CZ3-CD2 3.3Å; W169-F177 HydrophobicContact CZ3-CD2 3.3Å; W169-F177 AromaticContact CZ3-CE2 3.51Å; W169-F177 HydrophobicContact CZ3-CE2 3.51Å; W169-F177 HydrophobicContact CZ3-CG 4.21Å; W169-F177 PolarHBondContact N-O 3.04Å; W169-F177 PolarHBondContact O-N 2.92Å; L174-F177 HydrophobicContact CD2-CE2 3.92Å; L174-F177 HydrophobicContact CD2-CZ 4.2Å; L174-F177 HydrophobicContact CG-CE2 3.9Å; L174-F177 HydrophobicContact CG-CZ 3.96Å; F177-V179 PolarHBondContact O-N 3.48Å
178G97.2Very high93.3Very high46 Ų4647.9 Ų47.947%0.47429%0.292SS..SBendtrans79.9-2.9-173.900000114.6R166 I167R166-G178 PolarHBondContact NE-O 3.12Å; R166-G178 PolarHBondContact NH2-O 3.03Å; I167-G178 WeakPolarHBondContact O-CA 3.06Å
179V96.8Very high91.4Very high12 Ų1254.5 Ų54.57%0.07334%0.335CS..SBendtrans-144.7151170.261.10000108.3V168 V176 F177 P181 L242 E243V168-V179 HydrophobicContact CG1-CB 4.4Å; V168-V179 HydrophobicContact CG1-CG1 3.67Å; V168-V179 HydrophobicContact CG2-CB 4.14Å; V168-V179 HydrophobicContact CG2-CG1 4.31Å; V176-V179 HydrophobicContact CG1-CG1 3.47Å; V176-V179 VanDerWaalsContact CG1-CG1 3.47Å; F177-V179 PolarHBondContact O-N 3.48Å; V179-P181 HydrophobicContact CG1-CG 4.41Å; V179-P181 WeakPolarHBondContact O-CD 3.25Å; V179-L242 HydrophobicContact CG1-CD1 4.46Å; V179-L242 HydrophobicContact CG2-CB 4.48Å; V179-E243 HydrophobicContact CG2-CG 4.42Å
180N95.8Very high89.6Confident145 Ų14557.4 Ų57.478%0.77535%0.346SS*.  trans-100.6103165.2-65.8-42.8000106.9L182N180-L182 PolarHBondContact O-N 2.89Å
181P96.1Very high87.8Confident65 Ų6562 Ų6242%0.42238%0.376SS..  trans-58.2132.5-177.7-26.135.5000111.8V176 V179 L242V176-P181 HydrophobicContact CB-CG 4.39Å; V179-P181 HydrophobicContact CG1-CG 4.41Å; V179-P181 WeakPolarHBondContact O-CD 3.25Å; P181-L242 CarbonylContact C-O 3.59Å; P181-L242 WeakPolarHBondContact CA-O 3.09Å; P181-L242 HydrophobicContact CG-CD2 4.48Å
182L95.5Very high86.9Confident110 Ų11063.4 Ų63.458%0.57638%0.383SS*.  trans-118.9145.5176.4-63.8176.2000109.2N180 L242 G244N180-L182 PolarHBondContact O-N 2.89Å; L182-L242 PolarHBondContact N-O 2.75Å; L182-G244 WeakPolarHBondContact O-CA 3.34Å; L182-G244 PolarHBondContact O-N 3.5Å
183L93.2Very high86.1Confident72 Ų7263.6 Ų63.638%0.37738%0.383SS..  trans-82.7148166.7-67.7173.8000109.1K187 V302 W305L183-K187 HydrophobicContact CD1-CD 3.81Å; L183-K187 HydrophobicContact CD1-CG 4.38Å; L183-V302 HydrophobicContact CD2-CG2 3.36Å; L183-W305 HydrophobicContact CD2-CH2 4.35Å
184P91.2Very high85.5Confident4 Ų466.7 Ų66.73%0.02638%0.38CS..  trans-60.6163171.827.7-35000111.7S186 G244 H247 W305P184-S186 PolarHBondContact O-N 3.28Å; P184-S186 VanDerWaalsContact O-N 3.12Å; P184-G244 VanDerWaalsContact CA-O 3.24Å; P184-G244 WeakPolarHBondContact CA-O 3.5Å; P184-H247 HydrophobicContact CG-CB 4.33Å; P184-H247 WeakPolarHBondContact CG-CD2 3.42Å; P184-W305 HydrophobicContact CG-CH2 3.82Å; P184-W305 HydrophobicContact CG-CZ3 3.92Å
185S84.6Confident84.9Confident99 Ų9969.9 Ų69.969%0.69240%0.397SS*.SBendtrans-59.6-26-171.752.20000113.9P202S185-P202 WeakPolarHBondContact OG-CG 3.35Å
186S81.9Confident84.3Confident28 Ų2869.9 Ų69.920%0.19640%0.396CS..SBendtrans-111.1144.1169.189.10000110.5P184 P202 H247P184-S186 PolarHBondContact O-N 3.28Å; P184-S186 VanDerWaalsContact O-N 3.12Å; S186-P202 PolarHBondContact OG-O 3.25Å; S186-H247 PolarHBondContact O-CD2 3.37Å; S186-H247 PolarHBondContact O-NE2 3.34Å; S186-H247 PolarHBondContact OG-NE2 3.14Å
187K76.4Confident83.5Confident130 Ų13075.1 Ų75.157%0.56542%0.419SS*.  trans-117146.4178.2-62-176.1-174.3-174.20109.9L183 W305L183-K187 HydrophobicContact CD1-CD 3.81Å; L183-K187 HydrophobicContact CD1-CG 4.38Å; K187-W305 HydrophobicContact CB-CZ2 4.26Å
188L68Low82.8Confident39 Ų3978.2 Ų78.220%0.20443%0.432CS..SBendtrans-61.1150.8160.5-59.5-168.1000109.9Y190 W305L188-Y190 VanDerWaalsContact CA-N 3.33Å; L188-Y190 WeakPolarHBondContact CD2-O 3.39Å; L188-W305 HydrophobicContact CB-CD2 4.28Å; L188-W305 HydrophobicContact CB-CG 4.14Å; L188-W305 HydrophobicContact CD1-CB 3.4Å; L188-W305 VanDerWaalsContact CD1-CD1 3.41Å; L188-W305 HydrophobicContact CD1-CD2 3.88Å; L188-W305 HydrophobicContact CD1-CG 3.25Å; L188-W305 HydrophobicContact CG-CB 4.29Å; L188-W305 HydrophobicContact CG-CD2 3.76Å; L188-W305 HydrophobicContact CG-CE3 4.47Å; L188-W305 HydrophobicContact CG-CG 3.67Å
189P57.2Low82.2Confident138 Ų13884.2 Ų84.290%0.89645%0.452SS*.SBendcis-94.576.415.637.3-34000112.8
190Y61.7Low81.6Confident83 Ų8388.3 Ų88.333%0.32548%0.477SS..SBendtrans-94.6113.8157.4-169-106000105.3L188 I192 N193 A196L188-Y190 VanDerWaalsContact CA-N 3.33Å; L188-Y190 WeakPolarHBondContact CD2-O 3.39Å; Y190-I192 PolarHBondContact O-N 3.12Å; Y190-N193 HydrophobicContact CD1-CB 4.16Å; Y190-N193 HydrophobicContact CE1-CB 3.28Å; Y190-N193 PolarHBondContact OH-ND2 2.9Å; Y190-A196 HydrophobicContact CE1-CB 4.39Å
191P61.2Low81Confident98 Ų9882.7 Ų82.764%0.63645%0.45SS*.  trans-53.4139.6172.124.6-32.2000107.6N193P191-N193 WeakPolarHBondContact O-CB 3.41Å; P191-N193 PolarHBondContact O-N 3.47Å
192I79.8Confident80.7Confident28 Ų2880.8 Ų80.814%0.14444%0.437CS..  trans-52.5109.8174.2-62.1173.6000106.6Y190 F223 Y224 Y309 C312Y190-I192 PolarHBondContact O-N 3.12Å; I192-F223 WeakPolarHBondContact CG2-O 3.24Å; I192-Y224 HydrophobicContact CG2-CD2 3.9Å; I192-Y309 HydrophobicContact CD1-CD1 3.42Å; I192-Y309 VanDerWaalsContact CD1-CD1 3.42Å; I192-Y309 HydrophobicContact CD1-CE1 3.61Å; I192-Y309 HydrophobicContact CD1-CG 3.93Å; I192-Y309 HydrophobicContact CG1-CE1 4.33Å; I192-C312 HydrophobicContact CD1-CB 4.39Å; I192-C312 WeakPolarHBondContact CD1-SG 3.45Å
193N80.6Confident80.6Confident44 Ų4476.4 Ų76.424%0.23541%0.414CS..  trans-107.1118.1-166.2-175.30.8000109.7Y190 P191 N195 A196Y190-N193 HydrophobicContact CD1-CB 4.16Å; Y190-N193 HydrophobicContact CE1-CB 3.28Å; Y190-N193 PolarHBondContact OH-ND2 2.9Å; P191-N193 WeakPolarHBondContact O-CB 3.41Å; P191-N193 PolarHBondContact O-N 3.47Å; N193-N195 PolarHBondContact O-N 3.16Å; N193-N195 WeakPolarHBondContact OD1-CB 3.45Å; N193-N195 PolarHBondContact OD1-N 3.37Å; N193-A196 HydrophobicContact CB-CB 4.29Å; N193-A196 WeakPolarHBondContact O-CB 3.39Å; N193-A196 PolarHBondContact O-N 2.88Å
194Q85.3Confident80.7Confident131 Ų13173.9 Ų73.961%0.61240%0.401SS*.THydrogen-bonded Turntrans-54.7-22.2171.765.7-176.2-9.100114.7Y224Q194-Y224 VanDerWaalsContact CA-CD1 3.49Å; Q194-Y224 VanDerWaalsContact CA-CG 3.49Å; Q194-Y224 HydrophobicContact CB-CD1 3.47Å; Q194-Y224 VanDerWaalsContact CB-CD1 3.47Å; Q194-Y224 HydrophobicContact CB-CD2 4.28Å; Q194-Y224 HydrophobicContact CB-CE1 3.51Å; Q194-Y224 HydrophobicContact CB-CE2 4.31Å; Q194-Y224 HydrophobicContact CB-CG 3.87Å
195N86.2Confident80.9Confident116 Ų11673.7 Ų73.762%0.6240%0.399SS*.THydrogen-bonded Turntrans-102.19.9179.2-57-55.5000113.2N193 Q197N193-N195 PolarHBondContact O-N 3.16Å; N193-N195 WeakPolarHBondContact OD1-CB 3.45Å; N193-N195 PolarHBondContact OD1-N 3.37Å; N195-Q197 PolarHBondContact O-N 3.24Å
196A84.1Confident81.5Confident19 Ų1969 Ų6916%0.15737%0.366CS..  trans-58136.4176.200000110.6Y190 N193 T226Y190-A196 HydrophobicContact CE1-CB 4.39Å; N193-A196 HydrophobicContact CB-CB 4.29Å; N193-A196 WeakPolarHBondContact O-CB 3.39Å; N193-A196 PolarHBondContact O-N 2.88Å; A196-T226 HydrophobicContact CB-CG2 3.75Å
197Q82.4Confident82.2Confident130 Ų13067.7 Ų67.761%0.60736%0.357SS*.  trans-115136.4176.4-63.2-175.6-20.500109.7N195 L199 T200 S201N195-Q197 PolarHBondContact O-N 3.24Å; Q197-L199 PolarHBondContact O-N 2.82Å; Q197-T200 PolarHBondContact O-N 2.93Å; Q197-S201 CarbonylContact O-C 3.28Å; Q197-S201 VanDerWaalsContact O-C 3.28Å; Q197-S201 PolarHBondContact O-N 3.02Å
198K83.3Confident83.1Confident105 Ų10561.7 Ų61.746%0.45733%0.331SS..THydrogen-bonded Turntrans-49.7-38.5-174.8-171.4173.6-178.31700113.8P202 E227K198-P202 WeakPolarHBondContact O-CB 3.21Å; K198-E227 WeakPolarHBondContact CE-OE2 3.35Å; K198-E227 IonicContact NZ-OE1 3.08Å; K198-E227 PolarHBondContact NZ-OE1 2.96Å; K198-E227 IonicContact NZ-OE2 2.7Å; K198-E227 PolarHBondContact NZ-OE2 3.15Å; K198-E227 VanDerWaalsContact NZ-OE2 3.08Å
199L84.2Confident84.3Confident172 Ų17263.7 Ų63.790%0.90134%0.336SS*.THydrogen-bonded Turntrans-80.8-26.5-175.5-65.2176000114.1Q197Q197-L199 PolarHBondContact O-N 2.82Å
200T84.3Confident85.7Confident98 Ų9858.2 Ų58.260%0.60130%0.301SS*.THydrogen-bonded Turntrans-113.1-28.2-172600000113.2Q197Q197-T200 PolarHBondContact O-N 2.93Å
201S84.9Confident86.7Confident28 Ų2857.8 Ų57.820%0.19630%0.302CS..SBendtrans-148.364.7-178-54.80000108.8Q197 H203Q197-S201 CarbonylContact O-C 3.28Å; Q197-S201 VanDerWaalsContact O-C 3.28Å; Q197-S201 PolarHBondContact O-N 3.02Å; S201-H203 PolarHBondContact O-N 3.3Å
202P89.3Confident88Confident24 Ų2456.3 Ų56.316%0.15628%0.284CS..  trans-60124.5-177.723.7-33.1000110.6S185 S186 K198 T226 H247S185-P202 WeakPolarHBondContact OG-CG 3.35Å; S186-P202 PolarHBondContact OG-O 3.25Å; K198-P202 WeakPolarHBondContact O-CB 3.21Å; P202-T226 WeakPolarHBondContact CA-OG1 3.42Å; P202-H247 PolarHBondContact O-CE1 2.93Å; P202-H247 PolarHBondContact O-NE2 3.24Å; P202-H247 VanDerWaalsContact O-NE2 3.17Å
203H92.8Very high88.4Confident18 Ų1857.2 Ų57.28%0.08329%0.293CS..  trans-118.3116.8166.3-177.3-149.6000108.3S201 F223 Y224 T226 E227 H247 Y309S201-H203 PolarHBondContact O-N 3.3Å; H203-F223 PolarHBondContact CE1-O 2.9Å; H203-F223 PolarHBondContact ND1-O 2.98Å; H203-Y224 PolarHBondContact ND1-O 3.15Å; H203-T226 HydrophobicContact CB-CG2 4.2Å; H203-T226 PolarHBondContact N-OG1 3.31Å; H203-T226 WeakPolarHBondContact O-CA 2.99Å; H203-T226 PolarHBondContact O-N 2.94Å; H203-T226 PolarHBondContact O-OG1 3.07Å; H203-E227 PolarHBondContact O-N 3.24Å; H203-E227 VanDerWaalsContact O-N 3.17Å; H203-H247 AromaticContact CD2-CG 3.91Å; H203-Y309 AromaticContact CE1-CE1 3.86Å; H203-Y309 AromaticContact NE2-CE1 3.44Å; H203-Y309 WeakPolarHBondContact NE2-CE1 3.42Å; H203-Y309 AromaticContact NE2-CZ 3.78Å; H203-Y309 PolarHBondContact NE2-OH 3.04Å
204I94.6Very high88.8Confident20 Ų2062.3 Ų62.310%0.10332%0.319CS..EExtended strand (participates in β ladder)trans-120.9123.6-170.8-50.8173.8000108E227 L229 R245 A246 H247I204-E227 WeakPolarHBondContact CA-O 3.44Å; I204-E227 HydrophobicContact CG1-CB 4.2Å; I204-E227 HydrophobicContact CG2-CB 4.27Å; I204-E227 HydrophobicContact CG2-CG 4.21Å; I204-L229 HydrophobicContact CG2-CD1 3.79Å; I204-L229 HydrophobicContact CG2-CD2 4.41Å; I204-L229 HydrophobicContact CG2-CG 3.65Å; I204-R245 WeakPolarHBondContact CG2-O 3.45Å; I204-A246 HydrophobicContact CG2-CB 4.16Å; I204-H247 PolarHBondContact N-ND1 3.27Å; I204-H247 PolarHBondContact O-N 3.24Å; I204-H247 PolarHBondContact O-ND1 3.38Å
205I95.9Very high89Confident0 Ų058.5 Ų58.50%031%0.305CS..EExtended strand (participates in β ladder)trans-107.8147.317470.2173.2000109.4V207 D220 F223 P225 E227 V228 L229 V248I205-V207 HydrophobicContact CD1-CG1 3.88Å; I205-V207 HydrophobicContact CG1-CG1 4.1Å; I205-D220 HydrophobicContact CD1-CB 3.74Å; I205-F223 HydrophobicContact CG2-CB 4.34Å; I205-F223 HydrophobicContact CG2-CD2 4.47Å; I205-P225 HydrophobicContact CD1-CB 3.94Å; I205-P225 HydrophobicContact CD1-CG 3.88Å; I205-P225 HydrophobicContact CG1-CB 3.86Å; I205-P225 HydrophobicContact CG1-CG 4.33Å; I205-P225 HydrophobicContact CG2-CB 3.98Å; I205-E227 PolarHBondContact N-O 3.03Å; I205-V228 HydrophobicContact CD1-CG1 4.27Å; I205-V228 HydrophobicContact CD1-CG2 3.94Å; I205-V228 HydrophobicContact CG1-CB 4.22Å; I205-V228 HydrophobicContact CG1-CG1 4.06Å; I205-V228 HydrophobicContact CG1-CG2 3.88Å; I205-L229 PolarHBondContact O-N 3.22Å; I205-V248 WeakPolarHBondContact CA-O 3.37Å; I205-V248 HydrophobicContact CB-CG1 4Å; I205-V248 HydrophobicContact CG2-CG1 3.44Å; I205-V248 VanDerWaalsContact CG2-CG1 3.44Å
206V97.5Very high89.3Confident0 Ų053 Ų530%028%0.275CS..EExtended strand (participates in β ladder)trans-111.8131.9169.565.70000110L229 A231 K237 V240 L241 A246 V248 Y249 V250V206-L229 CarbonylContact C-O 3.57Å; V206-L229 WeakPolarHBondContact CA-O 3.11Å; V206-L229 HydrophobicContact CB-CB 4.24Å; V206-L229 HydrophobicContact CG2-CB 4.11Å; V206-A231 HydrophobicContact CG2-CB 4.19Å; V206-K237 HydrophobicContact CG1-CB 4.32Å; V206-K237 HydrophobicContact CG2-CB 4.32Å; V206-K237 HydrophobicContact CG2-CD 4.25Å; V206-K237 HydrophobicContact CG2-CG 3.82Å; V206-V240 HydrophobicContact CB-CG1 4.06Å; V206-V240 HydrophobicContact CG1-CG1 4.24Å; V206-V240 HydrophobicContact CG2-CB 4.46Å; V206-V240 HydrophobicContact CG2-CG1 4.15Å; V206-V240 HydrophobicContact CG2-CG2 4.5Å; V206-L241 HydrophobicContact CG1-CD2 4.25Å; V206-A246 HydrophobicContact CB-CB 3.99Å; V206-A246 HydrophobicContact CG1-CB 4.03Å; V206-V248 PolarHBondContact N-O 3.5Å; V206-Y249 HydrophobicContact CG1-CD2 4.28Å; V206-Y249 HydrophobicContact CG1-CG 4.23Å; V206-Y249 WeakPolarHBondContact O-CA 3.41Å; V206-V250 PolarHBondContact O-N 3.07Å; V206-V250 VanDerWaalsContact O-N 3.09Å
207V97.2Very high89.7Confident0 Ų056.3 Ų56.30%029%0.29CS..EExtended strand (participates in β ladder)trans-134.4165.5-173.2-54.60000110.8I205 R209 D220 V228 L229 R230 A231 V250I205-V207 HydrophobicContact CD1-CG1 3.88Å; I205-V207 HydrophobicContact CG1-CG1 4.1Å; V207-R209 PolarHBondContact O-N 2.98Å; V207-D220 WeakPolarHBondContact CG1-OD1 3.23Å; V207-V228 HydrophobicContact CG1-CG1 4.16Å; V207-V228 HydrophobicContact CG2-CG1 3.56Å; V207-L229 PolarHBondContact N-O 2.91Å; V207-R230 HydrophobicContact CG2-CG 3.92Å; V207-A231 PolarHBondContact O-N 3.37Å; V207-V250 HydrophobicContact CG1-CG1 3.69Å
208T95.6Very high90.1Very high4 Ų455.7 Ų55.73%0.02529%0.286CS..EExtended strand (participates in β ladder)trans-59.7136.9173-175.40000111.9S210 H211 R212 H216 F251T208-S210 PolarHBondContact OG1-N 3.17Å; T208-H211 HydrophobicContact CG2-CB 4.21Å; T208-H211 VanDerWaalsContact CG2-O 3.22Å; T208-H211 WeakPolarHBondContact CG2-O 2.92Å; T208-H211 PolarHBondContact OG1-N 2.78Å; T208-R212 WeakPolarHBondContact O-CD 3.36Å; T208-H216 WeakPolarHBondContact CG2-NE2 3.19Å; T208-F251 HydrophobicContact CG2-CD2 3.9Å; T208-F251 HydrophobicContact CG2-CE2 3.96Å
209R93Very high90.4Very high81 Ų8150.7 Ų50.731%0.30626%0.264SS..SBendtrans-75.3-46.2169.7175.8-177.5163.3-96.4-5.6111.6E119 E122 V207 R230 A231E119-R209 IonicContact OE1-CZ 3.96Å; E119-R209 IonicContact OE1-NH1 3.62Å; E119-R209 PolarHBondContact OE1-NH1 3.29Å; E122-R209 IonicContact OE2-CZ 3.22Å; E122-R209 IonicContact OE2-NH1 3.76Å; E122-R209 PolarHBondContact OE2-NH1 2.97Å; E122-R209 IonicContact OE2-NH2 3.72Å; E122-R209 PolarHBondContact OE2-NH2 3.08Å; V207-R209 PolarHBondContact O-N 2.98Å; R209-R230 HydrophobicContact CB-CB 4.39Å; R209-A231 PolarHBondContact N-O 3.09Å; R209-A231 VanDerWaalsContact N-O 3.1Å
210S86.9Confident90.8Very high23 Ų2342.9 Ų42.916%0.16122%0.223CC..SBendtrans-107.3-11-157.9-63.70000115.4E119 T208E119-S210 PolarHBondContact OE1-OG 2.85Å; T208-S210 PolarHBondContact OG1-N 3.17Å
211H82.6Confident91.1Very high74 Ų7440.2 Ų40.234%0.34322%0.215SC..  trans-122.661.5-174.5-57.2114.4000111.3T208 H216 F251T208-H211 HydrophobicContact CG2-CB 4.21Å; T208-H211 VanDerWaalsContact CG2-O 3.22Å; T208-H211 WeakPolarHBondContact CG2-O 2.92Å; T208-H211 PolarHBondContact OG1-N 2.78Å; H211-H216 PolarHBondContact O-CE1 3.02Å; H211-H216 PolarHBondContact O-NE2 2.96Å; H211-F251 HydrophobicContact CB-CE2 4.17Å
212R88.3Confident91.5Very high68 Ų6839.4 Ų39.426%0.25721%0.211SC..  trans-95.5145-173.6-67.2-68.9-63.7-173.71.6112.6T208 D217 D220 R230T208-R212 WeakPolarHBondContact O-CD 3.36Å; R212-D217 IonicContact CZ-OD1 3.15Å; R212-D217 IonicContact NE-OD1 2.74Å; R212-D217 IonicContact NH2-OD1 2.67Å; R212-D217 PolarHBondContact NH2-OD1 3.15Å; R212-D220 IonicContact CZ-OD2 4Å; R212-D220 IonicContact NH1-OD1 3.94Å; R212-D220 IonicContact NH1-OD2 3.02Å; R212-D220 PolarHBondContact NH1-OD2 3.24Å; R212-D220 IonicContact NH2-OD2 3.94Å; R212-D220 PolarHBondContact NH2-OD2 3.22Å; R212-R230 VanDerWaalsContact NE-NH1 3.15Å
213S87.2Confident91.7Very high47 Ų4738.3 Ų38.333%0.32920%0.203SC..  trans-143.5172.1172.470.80000110.7T215 H216 D217S213-T215 PolarHBondContact O-N 3.11Å; S213-T215 PolarHBondContact OG-N 3.11Å; S213-H216 PolarHBondContact N-ND1 3.03Å; S213-H216 VanDerWaalsContact N-ND1 3.15Å; S213-H216 WeakPolarHBondContact O-CA 3.28Å; S213-H216 VanDerWaalsContact O-CB 3.25Å; S213-H216 WeakPolarHBondContact O-CB 3.3Å; S213-H216 PolarHBondContact O-N 3.3Å; S213-H216 PolarHBondContact OG-ND1 3.39Å; S213-D217 PolarHBondContact O-N 3.15Å
214L89.3Confident91.6Very high150 Ų15042.4 Ų42.479%0.78522%0.219SC*.Hα-helixtrans-58-34.7174.5-67.3174.6000112.6H216 D217 F218L214-H216 PolarHBondContact O-N 2.71Å; L214-D217 PolarHBondContact O-N 2.75Å; L214-F218 PolarHBondContact O-N 3.49Å
215T90.1Very high91.6Very high51 Ų5143.2 Ų43.231%0.31323%0.225SC..Hα-helixtrans-58.3-35.7173.7-49.90000111.4S213 V219 P252 F321S213-T215 PolarHBondContact O-N 3.11Å; S213-T215 PolarHBondContact OG-N 3.11Å; T215-V219 HydrophobicContact CG2-CG2 4.4Å; T215-V219 WeakPolarHBondContact O-CB 3.47Å; T215-V219 WeakPolarHBondContact O-CG2 3.24Å; T215-V219 PolarHBondContact O-N 2.95Å; T215-P252 HydrophobicContact CG2-CB 4.26Å; T215-F321 HydrophobicContact CG2-CE2 3.97Å; T215-F321 HydrophobicContact CG2-CZ 4.21Å
216H92.6Very high91.4Very high1 Ų144.6 Ų44.61%0.00523%0.234CC..Hα-helixtrans-65.5-50.9175.3-66.972.5000112T208 H211 S213 L214 F218 V219 D220 F251 P252T208-H216 WeakPolarHBondContact CG2-NE2 3.19Å; H211-H216 PolarHBondContact O-CE1 3.02Å; H211-H216 PolarHBondContact O-NE2 2.96Å; S213-H216 PolarHBondContact N-ND1 3.03Å; S213-H216 VanDerWaalsContact N-ND1 3.15Å; S213-H216 WeakPolarHBondContact O-CA 3.28Å; S213-H216 VanDerWaalsContact O-CB 3.25Å; S213-H216 WeakPolarHBondContact O-CB 3.3Å; S213-H216 PolarHBondContact O-N 3.3Å; S213-H216 PolarHBondContact OG-ND1 3.39Å; L214-H216 PolarHBondContact O-N 2.71Å; H216-F218 PolarHBondContact O-N 2.88Å; H216-V219 PolarHBondContact O-N 2.73Å; H216-D220 VanDerWaalsContact O-CB 3.24Å; H216-D220 WeakPolarHBondContact O-CB 3.31Å; H216-D220 PolarHBondContact O-N 3.25Å; H216-F251 AromaticContact NE2-CD2 3.69Å; H216-F251 AromaticContact NE2-CE2 3.71Å; H216-P252 HydrophobicContact CB-CG 4.13Å; H216-P252 VanDerWaalsContact CD2-CD 3.41Å; H216-P252 WeakPolarHBondContact CD2-CD 3.45Å
217D91Very high91.3Very high88 Ų8847.6 Ų47.647%0.47125%0.248SC..Hα-helixtrans-59.7-38.2-179.7-64.4-36.6000111.6R212 S213 L214 G221R212-D217 IonicContact CZ-OD1 3.15Å; R212-D217 IonicContact NE-OD1 2.74Å; R212-D217 IonicContact NH2-OD1 2.67Å; R212-D217 PolarHBondContact NH2-OD1 3.15Å; S213-D217 PolarHBondContact O-N 3.15Å; L214-D217 PolarHBondContact O-N 2.75Å; D217-G221 PolarHBondContact O-N 3.26Å; D217-G221 VanDerWaalsContact O-N 3.12Å
218F90.9Very high91.2Very high118 Ų11850.1 Ų50.152%0.51826%0.263SS..Hα-helixtrans-67.1-48.6178.5-173.4-122.8000112.8L214 H216 G221 A222 P314 V317L214-F218 PolarHBondContact O-N 3.49Å; H216-F218 PolarHBondContact O-N 2.88Å; F218-G221 PolarHBondContact O-N 2.76Å; F218-A222 PolarHBondContact O-N 3.29Å; F218-P314 HydrophobicContact CD1-CG 4.32Å; F218-P314 HydrophobicContact CE1-CB 3.79Å; F218-P314 HydrophobicContact CE1-CG 3.5Å; F218-P314 VanDerWaalsContact CE1-CG 3.5Å; F218-P314 HydrophobicContact CE2-CG 4.49Å; F218-P314 HydrophobicContact CZ-CB 3.97Å; F218-P314 HydrophobicContact CZ-CG 3.6Å; F218-V317 HydrophobicContact CD1-CG2 3.78Å; F218-V317 HydrophobicContact CE1-CG2 3.75Å
219V90.9Very high91.2Very high0 Ų051.9 Ų51.90%027%0.272CS..Hα-helixtrans-68.2-42.3179.4166.30000111.6T215 H216 G221 A222 F223 V250 P252 L313 V317T215-V219 HydrophobicContact CG2-CG2 4.4Å; T215-V219 WeakPolarHBondContact O-CB 3.47Å; T215-V219 WeakPolarHBondContact O-CG2 3.24Å; T215-V219 PolarHBondContact O-N 2.95Å; H216-V219 PolarHBondContact O-N 2.73Å; V219-G221 VanDerWaalsContact C-N 3.28Å; V219-G221 PolarHBondContact O-N 2.79Å; V219-A222 WeakPolarHBondContact O-CB 3.18Å; V219-A222 PolarHBondContact O-N 2.75Å; V219-A222 VanDerWaalsContact O-N 3.15Å; V219-F223 HydrophobicContact CG1-CE2 4.17Å; V219-F223 HydrophobicContact CG1-CZ 4.32Å; V219-V250 HydrophobicContact CG1-CG2 3.76Å; V219-P252 HydrophobicContact CB-CB 3.92Å; V219-P252 HydrophobicContact CB-CG 3.89Å; V219-P252 HydrophobicContact CG1-CB 3.93Å; V219-P252 HydrophobicContact CG1-CG 4.06Å; V219-P252 HydrophobicContact CG2-CB 3.79Å; V219-P252 HydrophobicContact CG2-CG 4.24Å; V219-L313 HydrophobicContact CB-CD2 4.43Å; V219-L313 HydrophobicContact CG1-CD2 3.58Å; V219-L313 HydrophobicContact CG2-CD2 4.33Å; V219-V317 HydrophobicContact CG2-CG1 3.75Å; V219-V317 HydrophobicContact CG2-CG2 4.05Å
220D91.7Very high91.4Very high7 Ų753.9 Ų53.94%0.03728%0.28CS..Hα-helixtrans-58.6-43.3176.9-66.6-10.5000111I205 V207 R212 H216 A222 F223 P225 V250I205-D220 HydrophobicContact CD1-CB 3.74Å; V207-D220 WeakPolarHBondContact CG1-OD1 3.23Å; R212-D220 IonicContact CZ-OD2 4Å; R212-D220 IonicContact NH1-OD1 3.94Å; R212-D220 IonicContact NH1-OD2 3.02Å; R212-D220 PolarHBondContact NH1-OD2 3.24Å; R212-D220 IonicContact NH2-OD2 3.94Å; R212-D220 PolarHBondContact NH2-OD2 3.22Å; H216-D220 VanDerWaalsContact O-CB 3.24Å; H216-D220 WeakPolarHBondContact O-CB 3.31Å; H216-D220 PolarHBondContact O-N 3.25Å; D220-A222 VanDerWaalsContact C-N 3.28Å; D220-A222 PolarHBondContact O-N 3.45Å; D220-F223 PolarHBondContact O-N 3.48Å; D220-P225 WeakPolarHBondContact O-CD 3.43Å; D220-V250 WeakPolarHBondContact OD1-CG1 3.3Å
221G91.8Very high91.9Very high42 Ų4253 Ų5343%0.43327%0.273SS..Hα-helixtrans-63.4-31.7178.300000113.5D217 F218 V219 F223 Y224D217-G221 PolarHBondContact O-N 3.26Å; D217-G221 VanDerWaalsContact O-N 3.12Å; F218-G221 PolarHBondContact O-N 2.76Å; V219-G221 VanDerWaalsContact C-N 3.28Å; V219-G221 PolarHBondContact O-N 2.79Å; G221-F223 PolarHBondContact O-N 2.77Å; G221-Y224 PolarHBondContact O-N 3.28Å
222A92.7Very high92.5Very high12 Ų1249.5 Ų49.510%0.09926%0.258CS..Hα-helixtrans-64.4-20.3178.600000113.2F218 V219 D220 Y224 C312 P314F218-A222 PolarHBondContact O-N 3.29Å; V219-A222 WeakPolarHBondContact O-CB 3.18Å; V219-A222 PolarHBondContact O-N 2.75Å; V219-A222 VanDerWaalsContact O-N 3.15Å; D220-A222 VanDerWaalsContact C-N 3.28Å; D220-A222 PolarHBondContact O-N 3.45Å; A222-Y224 WeakPolarHBondContact O-CD2 3.48Å; A222-Y224 WeakPolarHBondContact O-CE2 3.42Å; A222-C312 WeakPolarHBondContact CB-O 3.37Å; A222-P314 HydrophobicContact CB-CG 4.45Å
223F92Very high92.9Very high0 Ų046.6 Ų46.60%025%0.249CC..THydrogen-bonded Turntrans-89.9-1.8176.3-60.4-33.1000113.9I192 H203 I205 V219 D220 G221 V248 V250 L298 Y309 C312 L313I192-F223 WeakPolarHBondContact CG2-O 3.24Å; H203-F223 PolarHBondContact CE1-O 2.9Å; H203-F223 PolarHBondContact ND1-O 2.98Å; I205-F223 HydrophobicContact CG2-CB 4.34Å; I205-F223 HydrophobicContact CG2-CD2 4.47Å; V219-F223 HydrophobicContact CG1-CE2 4.17Å; V219-F223 HydrophobicContact CG1-CZ 4.32Å; D220-F223 PolarHBondContact O-N 3.48Å; G221-F223 PolarHBondContact O-N 2.77Å; F223-V248 HydrophobicContact CD2-CG1 4.47Å; F223-V250 HydrophobicContact CD2-CG1 4.34Å; F223-V250 HydrophobicContact CE2-CB 3.81Å; F223-V250 HydrophobicContact CE2-CG1 3.97Å; F223-V250 HydrophobicContact CE2-CG2 3.74Å; F223-V250 HydrophobicContact CZ-CG2 4.33Å; F223-L298 HydrophobicContact CE2-CD1 4.2Å; F223-L298 HydrophobicContact CZ-CD1 3.87Å; F223-Y309 AromaticContact CD1-CD1 3.86Å; F223-Y309 HydrophobicContact CD1-CD1 3.86Å; F223-Y309 HydrophobicContact CE1-CD1 4.02Å; F223-Y309 WeakPolarHBondContact CE1-O 3.11Å; F223-Y309 HydrophobicContact CG-CD1 4.18Å; F223-Y309 HydrophobicContact CZ-CD1 4.43Å; F223-C312 HydrophobicContact CD1-CB 3.89Å; F223-C312 HydrophobicContact CE1-CB 4.15Å; F223-L313 HydrophobicContact CE1-CD2 3.73Å; F223-L313 HydrophobicContact CE1-CG 4.1Å; F223-L313 HydrophobicContact CZ-CD2 3.61Å; F223-L313 HydrophobicContact CZ-CG 4.21Å
224Y92.3Very high93.4Very high104 Ų10444.7 Ų44.741%0.40824%0.236SC..  trans4853.8-178.5-50.1-78.5000113.3I192 Q194 H203 G221 A222I192-Y224 HydrophobicContact CG2-CD2 3.9Å; Q194-Y224 VanDerWaalsContact CA-CD1 3.49Å; Q194-Y224 VanDerWaalsContact CA-CG 3.49Å; Q194-Y224 HydrophobicContact CB-CD1 3.47Å; Q194-Y224 VanDerWaalsContact CB-CD1 3.47Å; Q194-Y224 HydrophobicContact CB-CD2 4.28Å; Q194-Y224 HydrophobicContact CB-CE1 3.51Å; Q194-Y224 HydrophobicContact CB-CE2 4.31Å; Q194-Y224 HydrophobicContact CB-CG 3.87Å; H203-Y224 PolarHBondContact ND1-O 3.15Å; G221-Y224 PolarHBondContact O-N 3.28Å; A222-Y224 WeakPolarHBondContact O-CD2 3.48Å; A222-Y224 WeakPolarHBondContact O-CE2 3.42Å
225P93.1Very high93.9Very high37 Ų3737.6 Ų37.624%0.2420%0.198CC..  trans-66.5138.1-179.828.9-35.9000110.9I205 D220 E227 V228I205-P225 HydrophobicContact CD1-CB 3.94Å; I205-P225 HydrophobicContact CD1-CG 3.88Å; I205-P225 HydrophobicContact CG1-CB 3.86Å; I205-P225 HydrophobicContact CG1-CG 4.33Å; I205-P225 HydrophobicContact CG2-CB 3.98Å; D220-P225 WeakPolarHBondContact O-CD 3.43Å; P225-E227 VanDerWaalsContact C-N 3.32Å; P225-V228 HydrophobicContact CB-CG2 3.98Å; P225-V228 HydrophobicContact CG-CG2 3.79Å
226T93.3Very high94.3Very high30 Ų3036.2 Ų36.218%0.18419%0.187CC..SBendtrans-82.6-16.616569.10000112.3A196 P202 H203A196-T226 HydrophobicContact CB-CG2 3.75Å; P202-T226 WeakPolarHBondContact CA-OG1 3.42Å; H203-T226 HydrophobicContact CB-CG2 4.2Å; H203-T226 PolarHBondContact N-OG1 3.31Å; H203-T226 WeakPolarHBondContact O-CA 2.99Å; H203-T226 PolarHBondContact O-N 2.94Å; H203-T226 PolarHBondContact O-OG1 3.07Å
227E94.4Very high94.5Very high63 Ų6336.4 Ų36.429%0.29419%0.188SC..EExtended strand (participates in β ladder)trans-156.1142.6177.3177.4162.4-13700110.6K198 H203 I204 I205 P225 L229K198-E227 WeakPolarHBondContact CE-OE2 3.35Å; K198-E227 IonicContact NZ-OE1 3.08Å; K198-E227 PolarHBondContact NZ-OE1 2.96Å; K198-E227 IonicContact NZ-OE2 2.7Å; K198-E227 PolarHBondContact NZ-OE2 3.15Å; K198-E227 VanDerWaalsContact NZ-OE2 3.08Å; H203-E227 PolarHBondContact O-N 3.24Å; H203-E227 VanDerWaalsContact O-N 3.17Å; I204-E227 WeakPolarHBondContact CA-O 3.44Å; I204-E227 HydrophobicContact CG1-CB 4.2Å; I204-E227 HydrophobicContact CG2-CB 4.27Å; I204-E227 HydrophobicContact CG2-CG 4.21Å; I205-E227 PolarHBondContact N-O 3.03Å; P225-E227 VanDerWaalsContact C-N 3.32Å; E227-L229 HydrophobicContact CG-CD2 4.12Å
228V95.3Very high94.9Very high52 Ų5232.2 Ų32.232%0.31517%0.166SC..EExtended strand (participates in β ladder)trans-120.8109178.2-177.90000108.5I205 V207 P225 R230I205-V228 HydrophobicContact CD1-CG1 4.27Å; I205-V228 HydrophobicContact CD1-CG2 3.94Å; I205-V228 HydrophobicContact CG1-CB 4.22Å; I205-V228 HydrophobicContact CG1-CG1 4.06Å; I205-V228 HydrophobicContact CG1-CG2 3.88Å; V207-V228 HydrophobicContact CG1-CG1 4.16Å; V207-V228 HydrophobicContact CG2-CG1 3.56Å; P225-V228 HydrophobicContact CB-CG2 3.98Å; P225-V228 HydrophobicContact CG-CG2 3.79Å; V228-R230 HydrophobicContact CG1-CG 4.46Å
229L96.7Very high95.3Very high42 Ų4226.7 Ų26.722%0.2214%0.142CC..EExtended strand (participates in β ladder)trans-83.1128172.1-57.6-177.2000109.2I204 I205 V206 V207 E227 V240 R245 A246I204-L229 HydrophobicContact CG2-CD1 3.79Å; I204-L229 HydrophobicContact CG2-CD2 4.41Å; I204-L229 HydrophobicContact CG2-CG 3.65Å; I205-L229 PolarHBondContact O-N 3.22Å; V206-L229 CarbonylContact C-O 3.57Å; V206-L229 WeakPolarHBondContact CA-O 3.11Å; V206-L229 HydrophobicContact CB-CB 4.24Å; V206-L229 HydrophobicContact CG2-CB 4.11Å; V207-L229 PolarHBondContact N-O 2.91Å; E227-L229 HydrophobicContact CG-CD2 4.12Å; L229-V240 HydrophobicContact CD1-CG1 3.9Å; L229-R245 HydrophobicContact CD1-CB 4.37Å; L229-R245 WeakPolarHBondContact CD1-O 3.19Å; L229-A246 HydrophobicContact CD1-CB 4.44Å
230R96.7Very high95.6Very high123 Ų12326.8 Ų26.846%0.46414%0.142SC..EExtended strand (participates in β ladder)trans-107121.3177.2-64180-178.2-84.8-0.6108.9V207 R209 R212 V228V207-R230 HydrophobicContact CG2-CG 3.92Å; R209-R230 HydrophobicContact CB-CB 4.39Å; R212-R230 VanDerWaalsContact NE-NH1 3.15Å; V228-R230 HydrophobicContact CG1-CG 4.46Å
231A97Very high95.9Very high3 Ų326.4 Ų26.43%0.02514%0.14CC..EExtended strand (participates in β ladder)trans-139.6146.5-17800000112.4F127 V206 V207 R209 Y236 K237F127-A231 HydrophobicContact CD1-CB 3.86Å; F127-A231 HydrophobicContact CE1-CB 3.56Å; F127-A231 HydrophobicContact CZ-CB 4.41Å; V206-A231 HydrophobicContact CG2-CB 4.19Å; V207-A231 PolarHBondContact O-N 3.37Å; R209-A231 PolarHBondContact N-O 3.09Å; R209-A231 VanDerWaalsContact N-O 3.1Å; A231-Y236 HydrophobicContact CB-CD1 3.74Å; A231-Y236 HydrophobicContact CB-CE1 3.96Å; A231-K237 HydrophobicContact CB-CG 3.98Å
232G96Very high96.2Very high2 Ų224.5 Ų24.52%0.02112%0.12CC..SBendtrans-74.9166.6164.200000111.6E119E119-G232 VanDerWaalsContact CD-CA 3.44Å; E119-G232 WeakPolarHBondContact OE2-CA 3.41Å
233G96.6Very high96.4Very high6 Ų626 Ų266%0.06213%0.125CC..  trans69.6125.5171.800000116.2D115 K237D115-G233 VanDerWaalsContact CG-CA 3.46Å; D115-G233 WeakPolarHBondContact OD1-CA 3.49Å; D115-G233 WeakPolarHBondContact OD2-CA 3.35Å; G233-K237 WeakPolarHBondContact O-CE 3.5Å; G233-K237 WeakPolarHBondContact O-CG 3.5Å; G233-K237 PolarHBondContact O-N 3Å; G233-K237 PolarHBondContact O-NZ 3.2Å
234C97.9Very high96.6Very high8 Ų826.7 Ų26.75%0.05413%0.132CC..Hα-helixtrans-62.4-42174.9-73.30000112D115 K237 V238 T256 D260D115-C234 VanDerWaalsContact CG-N 3.26Å; D115-C234 PolarHBondContact OD1-N 2.86Å; D115-C234 PolarHBondContact OD2-N 3.25Å; C234-K237 PolarHBondContact O-N 3.06Å; C234-V238 PolarHBondContact O-N 3.37Å; C234-T256 VanDerWaalsContact SG-CG2 3.55Å; C234-D260 HydrophobicContact CB-CB 3.93Å; C234-D260 WeakPolarHBondContact CB-O 3.42Å; C234-D260 PolarHBondContact SG-OD1 3.35Å; C234-D260 VanDerWaalsContact SG-OD1 3.38Å
235G98.5Very high96.7Very high0 Ų026.5 Ų26.50%013%0.131CC..Hα-helixtrans-60.8-48175.400000112.4D115 K237 V238 L239D115-G235 PolarHBondContact OD2-N 3.47Å; G235-K237 VanDerWaalsContact C-N 3.32Å; G235-K237 PolarHBondContact O-N 3.34Å; G235-V238 PolarHBondContact O-N 2.96Å; G235-V238 VanDerWaalsContact O-N 3.14Å; G235-L239 WeakPolarHBondContact O-CG 3.04Å; G235-L239 PolarHBondContact O-N 3.09Å
236Y98.4Very high96.9Very high22 Ų2224.8 Ų24.89%0.08612%0.12CC..Hα-helixtrans-60.7-41.1178.6-172.9-83.3000112E126 F127 A231 V238 L239 V240 R245E126-Y236 WeakPolarHBondContact O-CD2 3.46Å; E126-Y236 WeakPolarHBondContact O-CE2 3.48Å; F127-Y236 AromaticContact CD1-CD1 3.58Å; F127-Y236 HydrophobicContact CD1-CD1 3.58Å; F127-Y236 HydrophobicContact CD1-CD2 4.13Å; F127-Y236 AromaticContact CD1-CE1 3.62Å; F127-Y236 HydrophobicContact CD1-CE1 3.62Å; F127-Y236 HydrophobicContact CD1-CE2 4.15Å; F127-Y236 AromaticContact CD1-CG 3.86Å; F127-Y236 HydrophobicContact CD1-CG 3.86Å; F127-Y236 AromaticContact CD1-CZ 3.9Å; F127-Y236 HydrophobicContact CE1-CD1 4.05Å; F127-Y236 AromaticContact CE1-CE1 3.67Å; F127-Y236 HydrophobicContact CE1-CE1 3.67Å; F127-Y236 AromaticContact CE1-CZ 4Å; A231-Y236 HydrophobicContact CB-CD1 3.74Å; A231-Y236 HydrophobicContact CB-CE1 3.96Å; Y236-V238 VanDerWaalsContact C-N 3.27Å; Y236-V238 PolarHBondContact O-N 3.17Å; Y236-L239 WeakPolarHBondContact O-CA 3.39Å; Y236-L239 WeakPolarHBondContact O-CB 3.45Å; Y236-L239 PolarHBondContact O-N 3.5Å; Y236-L239 VanDerWaalsContact O-N 3.07Å; Y236-V240 HydrophobicContact CD1-CG2 3.76Å; Y236-V240 HydrophobicContact CE1-CG2 3.46Å; Y236-V240 VanDerWaalsContact CE1-CG2 3.46Å; Y236-V240 WeakPolarHBondContact O-CG2 3.38Å; Y236-V240 PolarHBondContact O-N 3.15Å; Y236-R245 PolarHBondContact OH-NH1 3.35Å; Y236-R245 PolarHBondContact OH-NH2 2.9Å
237K98.5Very high97Very high6 Ų623.6 Ų23.63%0.02611%0.112CC..Hα-helixtrans-63.1-32.2177.5-71.3-175.3-67.9-70.90112.7V206 A231 G233 C234 G235 V240 L241 Y249V206-K237 HydrophobicContact CG1-CB 4.32Å; V206-K237 HydrophobicContact CG2-CB 4.32Å; V206-K237 HydrophobicContact CG2-CD 4.25Å; V206-K237 HydrophobicContact CG2-CG 3.82Å; A231-K237 HydrophobicContact CB-CG 3.98Å; G233-K237 WeakPolarHBondContact O-CE 3.5Å; G233-K237 WeakPolarHBondContact O-CG 3.5Å; G233-K237 PolarHBondContact O-N 3Å; G233-K237 PolarHBondContact O-NZ 3.2Å; C234-K237 PolarHBondContact O-N 3.06Å; G235-K237 VanDerWaalsContact C-N 3.32Å; G235-K237 PolarHBondContact O-N 3.34Å; K237-V240 WeakPolarHBondContact O-CB 3.43Å; K237-V240 PolarHBondContact O-N 2.74Å; K237-L241 PolarHBondContact O-N 3.09Å; K237-Y249 HydrophobicContact CB-CD1 4Å; K237-Y249 HydrophobicContact CB-CD2 3.97Å; K237-Y249 HydrophobicContact CB-CE1 4.07Å; K237-Y249 HydrophobicContact CB-CE2 4.1Å; K237-Y249 HydrophobicContact CB-CG 3.97Å; K237-Y249 HydrophobicContact CD-CD2 3.76Å; K237-Y249 HydrophobicContact CD-CE2 3.4Å; K237-Y249 VanDerWaalsContact CD-CE2 3.4Å; K237-Y249 WeakPolarHBondContact CE-OH 3.45Å; K237-Y249 HydrophobicContact CG-CD2 4.41Å; K237-Y249 HydrophobicContact CG-CE2 4.35Å
238V98.7Very high97.1Very high0 Ų020.6 Ų20.60%010%0.098CC..Hα-helixtrans-73-36.8170.6169.10000112.2I145 C234 G235 Y236 V240 L241 L242 Y249 P264 L268 L275I145-V238 HydrophobicContact CD1-CB 4.42Å; I145-V238 HydrophobicContact CD1-CG1 4.06Å; C234-V238 PolarHBondContact O-N 3.37Å; G235-V238 PolarHBondContact O-N 2.96Å; G235-V238 VanDerWaalsContact O-N 3.14Å; Y236-V238 VanDerWaalsContact C-N 3.27Å; Y236-V238 PolarHBondContact O-N 3.17Å; V238-V240 VanDerWaalsContact C-N 3.26Å; V238-V240 PolarHBondContact O-N 3.02Å; V238-L241 WeakPolarHBondContact O-CB 3.31Å; V238-L241 PolarHBondContact O-N 3.38Å; V238-L242 HydrophobicContact CG1-CD1 4.09Å; V238-L242 HydrophobicContact CG1-CG 4.34Å; V238-L242 WeakPolarHBondContact O-CG 3.42Å; V238-L242 PolarHBondContact O-N 3.4Å; V238-Y249 HydrophobicContact CG2-CD1 4.28Å; V238-P264 HydrophobicContact CB-CB 3.88Å; V238-P264 HydrophobicContact CG1-CB 4.19Å; V238-P264 HydrophobicContact CG2-CB 3.53Å; V238-L268 HydrophobicContact CG1-CB 4Å; V238-L268 HydrophobicContact CG1-CD1 4.45Å; V238-L275 HydrophobicContact CG2-CD1 4.18Å
239L98.4Very high97.2Very high1 Ų118.2 Ų18.21%0.0058%0.083CC..Hα-helixtrans-59.5-38.5171.9-64.5176.9000111.7T129 I145 Q147 V168 G235 Y236 L241 L242 E243T129-L239 HydrophobicContact CG2-CD1 4.27Å; I145-L239 HydrophobicContact CB-CD2 4.36Å; I145-L239 HydrophobicContact CD1-CD2 4.26Å; I145-L239 HydrophobicContact CG2-CD1 3.87Å; I145-L239 HydrophobicContact CG2-CD2 4.12Å; I145-L239 HydrophobicContact CG2-CG 3.94Å; Q147-L239 HydrophobicContact CG-CD1 3.5Å; Q147-L239 VanDerWaalsContact CG-CD1 3.5Å; V168-L239 HydrophobicContact CB-CD2 4.05Å; V168-L239 HydrophobicContact CG1-CD2 4.14Å; V168-L239 HydrophobicContact CG2-CD2 3.82Å; G235-L239 WeakPolarHBondContact O-CG 3.04Å; G235-L239 PolarHBondContact O-N 3.09Å; Y236-L239 WeakPolarHBondContact O-CA 3.39Å; Y236-L239 WeakPolarHBondContact O-CB 3.45Å; Y236-L239 PolarHBondContact O-N 3.5Å; Y236-L239 VanDerWaalsContact O-N 3.07Å; L239-L241 VanDerWaalsContact C-N 3.27Å; L239-L241 PolarHBondContact O-N 3.18Å; L239-L242 HydrophobicContact CD2-CD1 4.24Å; L239-L242 PolarHBondContact O-N 2.95Å; L239-E243 WeakPolarHBondContact O-CB 3.4Å; L239-E243 WeakPolarHBondContact O-CG 3.44Å; L239-E243 PolarHBondContact O-N 2.88Å
240V97.9Very high97.2Very high2 Ų216.2 Ų16.21%0.0127%0.073CC..Hα-helixtrans-58-39173.4173.20000111.5V206 L229 Y236 K237 V238 R245 A246V206-V240 HydrophobicContact CB-CG1 4.06Å; V206-V240 HydrophobicContact CG1-CG1 4.24Å; V206-V240 HydrophobicContact CG2-CB 4.46Å; V206-V240 HydrophobicContact CG2-CG1 4.15Å; V206-V240 HydrophobicContact CG2-CG2 4.5Å; L229-V240 HydrophobicContact CD1-CG1 3.9Å; Y236-V240 HydrophobicContact CD1-CG2 3.76Å; Y236-V240 HydrophobicContact CE1-CG2 3.46Å; Y236-V240 VanDerWaalsContact CE1-CG2 3.46Å; Y236-V240 WeakPolarHBondContact O-CG2 3.38Å; Y236-V240 PolarHBondContact O-N 3.15Å; K237-V240 WeakPolarHBondContact O-CB 3.43Å; K237-V240 PolarHBondContact O-N 2.74Å; V238-V240 VanDerWaalsContact C-N 3.26Å; V238-V240 PolarHBondContact O-N 3.02Å; V240-R245 HydrophobicContact CG1-CB 3.69Å; V240-R245 WeakPolarHBondContact O-CB 3.37Å; V240-R245 PolarHBondContact O-N 3.37Å; V240-A246 HydrophobicContact CG1-CB 3.74Å
241L98Very high97.2Very high0 Ų010.7 Ų10.70%05%0.052CC..Hα-helixtrans-68.6-47.5174.6-60.5-177000111.9V206 K237 V238 L239 E243 G244 A246 L268 A299 P301V206-L241 HydrophobicContact CG1-CD2 4.25Å; K237-L241 PolarHBondContact O-N 3.09Å; V238-L241 WeakPolarHBondContact O-CB 3.31Å; V238-L241 PolarHBondContact O-N 3.38Å; L239-L241 VanDerWaalsContact C-N 3.27Å; L239-L241 PolarHBondContact O-N 3.18Å; L241-E243 PolarHBondContact O-N 3.5Å; L241-G244 PolarHBondContact O-N 2.88Å; L241-A246 HydrophobicContact CD2-CB 3.94Å; L241-L268 HydrophobicContact CB-CD1 4.47Å; L241-L268 HydrophobicContact CD1-CD2 4.15Å; L241-A299 HydrophobicContact CD1-CB 3.94Å; L241-P301 HydrophobicContact CB-CB 4.39Å
242L98Very high97.2Very high2 Ų210.6 Ų10.61%0.015%0.051CC..Hα-helixtrans-60.7-33.6178.7-68.4170.7000111.7V168 V179 P181 L182 V238 L239 G244 V267 L268 S271V168-L242 HydrophobicContact CG1-CD1 4.48Å; V179-L242 HydrophobicContact CG1-CD1 4.46Å; V179-L242 HydrophobicContact CG2-CB 4.48Å; P181-L242 CarbonylContact C-O 3.59Å; P181-L242 WeakPolarHBondContact CA-O 3.09Å; P181-L242 HydrophobicContact CG-CD2 4.48Å; L182-L242 PolarHBondContact N-O 2.75Å; V238-L242 HydrophobicContact CG1-CD1 4.09Å; V238-L242 HydrophobicContact CG1-CG 4.34Å; V238-L242 WeakPolarHBondContact O-CG 3.42Å; V238-L242 PolarHBondContact O-N 3.4Å; L239-L242 HydrophobicContact CD2-CD1 4.24Å; L239-L242 PolarHBondContact O-N 2.95Å; L242-G244 PolarHBondContact O-N 3.05Å; L242-V267 HydrophobicContact CD1-CG1 3.69Å; L242-L268 HydrophobicContact CD2-CD1 4.08Å; L242-L268 HydrophobicContact CG-CD1 4.48Å; L242-S271 WeakPolarHBondContact CD2-OG 3.43Å
243E96.9Very high97Very high42 Ų4212 Ų1220%0.1966%0.06CC..THydrogen-bonded Turntrans-79.71.9177.4-69.5174.3167.300113.6R166 V179 L239 L241 R245R166-E243 IonicContact CZ-OE1 3.87Å; R166-E243 IonicContact NH1-OE1 2.91Å; R166-E243 PolarHBondContact NH1-OE1 3.02Å; R166-E243 IonicContact NH2-OE1 2.76Å; V179-E243 HydrophobicContact CG2-CG 4.42Å; L239-E243 WeakPolarHBondContact O-CB 3.4Å; L239-E243 WeakPolarHBondContact O-CG 3.44Å; L239-E243 PolarHBondContact O-N 2.88Å; L241-E243 PolarHBondContact O-N 3.5Å; E243-R245 HydrophobicContact CB-CG 4.02Å; E243-R245 PolarHBondContact O-N 3.41Å; E243-R245 VanDerWaalsContact OE2-CD 3.22Å; E243-R245 WeakPolarHBondContact OE2-CD 3.38Å; E243-R245 IonicContact OE2-CZ 2.77Å; E243-R245 IonicContact OE2-NH1 3.98Å; E243-R245 PolarHBondContact OE2-NH1 2.95Å
244G95.7Very high96.7Very high15 Ų1517.2 Ų17.216%0.1558%0.083CC..THydrogen-bonded Turntrans67.518.8-178.100000113.7L182 P184 L241 L242L182-G244 WeakPolarHBondContact O-CA 3.34Å; L182-G244 PolarHBondContact O-N 3.5Å; P184-G244 VanDerWaalsContact CA-O 3.24Å; P184-G244 WeakPolarHBondContact CA-O 3.5Å; L241-G244 PolarHBondContact O-N 2.88Å; L242-G244 PolarHBondContact O-N 3.05Å
245R95.8Very high96.3Very high101 Ų10119.1 Ų19.138%0.38111%0.105SC..SBendtrans-84.4-19.3-178.2-68.3166.561.6-164.6-1.3112.7I204 L229 Y236 V240 E243I204-R245 WeakPolarHBondContact CG2-O 3.45Å; L229-R245 HydrophobicContact CD1-CB 4.37Å; L229-R245 WeakPolarHBondContact CD1-O 3.19Å; Y236-R245 PolarHBondContact OH-NH1 3.35Å; Y236-R245 PolarHBondContact OH-NH2 2.9Å; V240-R245 HydrophobicContact CG1-CB 3.69Å; V240-R245 WeakPolarHBondContact O-CB 3.37Å; V240-R245 PolarHBondContact O-N 3.37Å; E243-R245 HydrophobicContact CB-CG 4.02Å; E243-R245 PolarHBondContact O-N 3.41Å; E243-R245 VanDerWaalsContact OE2-CD 3.22Å; E243-R245 WeakPolarHBondContact OE2-CD 3.38Å; E243-R245 IonicContact OE2-CZ 2.77Å; E243-R245 IonicContact OE2-NH1 3.98Å; E243-R245 PolarHBondContact OE2-NH1 2.95Å
246A95.9Very high96.1Very high0 Ų019.5 Ų19.50%011%0.107CC..  trans-140.7160.5173.900000111.9I204 V206 L229 V240 L241I204-A246 HydrophobicContact CG2-CB 4.16Å; V206-A246 HydrophobicContact CB-CB 3.99Å; V206-A246 HydrophobicContact CG1-CB 4.03Å; L229-A246 HydrophobicContact CD1-CB 4.44Å; V240-A246 HydrophobicContact CG1-CB 3.74Å; L241-A246 HydrophobicContact CD2-CB 3.94Å
247H95.3Very high96Very high5 Ų520.9 Ų20.92%0.02311%0.113CC..SBendtrans-95.6-28.3179.6-56.869.8000112.2P184 S186 P202 H203 I204 P301 W305 Y309P184-H247 HydrophobicContact CG-CB 4.33Å; P184-H247 WeakPolarHBondContact CG-CD2 3.42Å; S186-H247 PolarHBondContact O-CD2 3.37Å; S186-H247 PolarHBondContact O-NE2 3.34Å; S186-H247 PolarHBondContact OG-NE2 3.14Å; P202-H247 PolarHBondContact O-CE1 2.93Å; P202-H247 PolarHBondContact O-NE2 3.24Å; P202-H247 VanDerWaalsContact O-NE2 3.17Å; H203-H247 AromaticContact CD2-CG 3.91Å; I204-H247 PolarHBondContact N-ND1 3.27Å; I204-H247 PolarHBondContact O-N 3.24Å; I204-H247 PolarHBondContact O-ND1 3.38Å; H247-P301 WeakPolarHBondContact O-CD 3.43Å; H247-W305 HydrophobicContact CB-CZ3 4.38Å; H247-Y309 VanDerWaalsContact CB-OH 3.29Å; H247-Y309 WeakPolarHBondContact CB-OH 3.35Å
248V96.5Very high96Very high0 Ų021.2 Ų21.20%012%0.115CC..EExtended strand (participates in β ladder)trans-149.4140.8178.259.10000110.7I205 V206 F223 L298 A299 T300 Y309I205-V248 WeakPolarHBondContact CA-O 3.37Å; I205-V248 HydrophobicContact CB-CG1 4Å; I205-V248 HydrophobicContact CG2-CG1 3.44Å; I205-V248 VanDerWaalsContact CG2-CG1 3.44Å; V206-V248 PolarHBondContact N-O 3.5Å; F223-V248 HydrophobicContact CD2-CG1 4.47Å; V248-L298 HydrophobicContact CG2-CD1 3.49Å; V248-L298 VanDerWaalsContact CG2-CD1 3.49Å; V248-L298 HydrophobicContact CG2-CG 4.42Å; V248-A299 CarbonylContact C-O 3.55Å; V248-A299 VanDerWaalsContact CA-O 3.3Å; V248-A299 WeakPolarHBondContact CA-O 3.43Å; V248-A299 WeakPolarHBondContact CG2-O 3.19Å; V248-T300 HydrophobicContact CB-CG2 4.35Å; V248-T300 HydrophobicContact CG2-CG2 4.2Å; V248-Y309 HydrophobicContact CB-CD1 4.1Å; V248-Y309 HydrophobicContact CB-CD2 4.47Å; V248-Y309 HydrophobicContact CB-CE1 3.71Å; V248-Y309 HydrophobicContact CB-CE2 4.09Å; V248-Y309 HydrophobicContact CB-CG 4.47Å; V248-Y309 HydrophobicContact CG1-CD1 3.93Å; V248-Y309 HydrophobicContact CG1-CE1 3.4Å; V248-Y309 VanDerWaalsContact CG1-CE1 3.4Å; V248-Y309 HydrophobicContact CG2-CD1 4.12Å; V248-Y309 HydrophobicContact CG2-CD2 4.45Å; V248-Y309 HydrophobicContact CG2-CE1 4.25Å; V248-Y309 HydrophobicContact CG2-CG 4.24Å
249Y97.9Very high96Very high2 Ų221.9 Ų21.91%0.00812%0.117CC..EExtended strand (participates in β ladder)trans-99.3124.4164.3165.7-151.2000107.7V206 K237 V238 F251 I297 L298 A299V206-Y249 HydrophobicContact CG1-CD2 4.28Å; V206-Y249 HydrophobicContact CG1-CG 4.23Å; V206-Y249 WeakPolarHBondContact O-CA 3.41Å; K237-Y249 HydrophobicContact CB-CD1 4Å; K237-Y249 HydrophobicContact CB-CD2 3.97Å; K237-Y249 HydrophobicContact CB-CE1 4.07Å; K237-Y249 HydrophobicContact CB-CE2 4.1Å; K237-Y249 HydrophobicContact CB-CG 3.97Å; K237-Y249 HydrophobicContact CD-CD2 3.76Å; K237-Y249 HydrophobicContact CD-CE2 3.4Å; K237-Y249 VanDerWaalsContact CD-CE2 3.4Å; K237-Y249 WeakPolarHBondContact CE-OH 3.45Å; K237-Y249 HydrophobicContact CG-CD2 4.41Å; K237-Y249 HydrophobicContact CG-CE2 4.35Å; V238-Y249 HydrophobicContact CG2-CD1 4.28Å; Y249-F251 HydrophobicContact CE2-CB 3.89Å; Y249-I297 HydrophobicContact CD1-CG2 3.96Å; Y249-I297 HydrophobicContact CE1-CB 4.32Å; Y249-I297 HydrophobicContact CE1-CD1 4.15Å; Y249-I297 HydrophobicContact CE1-CG2 3.67Å; Y249-I297 WeakPolarHBondContact OH-CD1 3.48Å; Y249-L298 WeakPolarHBondContact O-CA 3.49Å; Y249-A299 HydrophobicContact CD1-CB 4.2Å; Y249-A299 PolarHBondContact N-O 3.38Å; Y249-A299 PolarHBondContact O-N 2.93Å
250V97.3Very high96Very high0 Ų022.7 Ų22.70%012%0.122CC..EExtended strand (participates in β ladder)trans-125.1137.2174.566.60000112.2V206 V207 V219 D220 F223 L278 I297 L298V206-V250 PolarHBondContact O-N 3.07Å; V206-V250 VanDerWaalsContact O-N 3.09Å; V207-V250 HydrophobicContact CG1-CG1 3.69Å; V219-V250 HydrophobicContact CG1-CG2 3.76Å; D220-V250 WeakPolarHBondContact OD1-CG1 3.3Å; F223-V250 HydrophobicContact CD2-CG1 4.34Å; F223-V250 HydrophobicContact CE2-CB 3.81Å; F223-V250 HydrophobicContact CE2-CG1 3.97Å; F223-V250 HydrophobicContact CE2-CG2 3.74Å; F223-V250 HydrophobicContact CZ-CG2 4.33Å; V250-L278 HydrophobicContact CG2-CD2 3.83Å; V250-I297 WeakPolarHBondContact CA-O 3.34Å; V250-L298 HydrophobicContact CB-CD1 4.29Å; V250-L298 HydrophobicContact CG2-CD1 4.21Å
251F97Very high96.1Very high8 Ų822.6 Ų22.64%0.03512%0.121CC..EExtended strand (participates in β ladder)trans-139.590.1171.9-179.9-109000109.7T208 H211 H216 Y249 S253 T256 G296 I297T208-F251 HydrophobicContact CG2-CD2 3.9Å; T208-F251 HydrophobicContact CG2-CE2 3.96Å; H211-F251 HydrophobicContact CB-CE2 4.17Å; H216-F251 AromaticContact NE2-CD2 3.69Å; H216-F251 AromaticContact NE2-CE2 3.71Å; Y249-F251 HydrophobicContact CE2-CB 3.89Å; F251-S253 WeakPolarHBondContact CD1-O 3.39Å; F251-S253 WeakPolarHBondContact CE1-O 3.37Å; F251-S253 PolarHBondContact O-N 2.79Å; F251-T256 HydrophobicContact CD1-CG2 3.95Å; F251-T256 HydrophobicContact CE1-CG2 3.73Å; F251-T256 HydrophobicContact CZ-CG2 4.38Å; F251-G296 CarbonylContact O-C 3.49Å; F251-G296 WeakPolarHBondContact O-CA 3.24Å; F251-I297 HydrophobicContact CB-CB 4.04Å; F251-I297 HydrophobicContact CD1-CD1 4.48Å; F251-I297 PolarHBondContact N-O 3.07Å; F251-I297 PolarHBondContact O-N 2.97Å
252P95.3Very high96.1Very high1 Ų122.6 Ų22.61%0.00612%0.121CC..  trans-86.862.1-175.737.4-36.3000111.6T215 H216 V219 L278 F321T215-P252 HydrophobicContact CG2-CB 4.26Å; H216-P252 HydrophobicContact CB-CG 4.13Å; H216-P252 VanDerWaalsContact CD2-CD 3.41Å; H216-P252 WeakPolarHBondContact CD2-CD 3.45Å; V219-P252 HydrophobicContact CB-CB 3.92Å; V219-P252 HydrophobicContact CB-CG 3.89Å; V219-P252 HydrophobicContact CG1-CB 3.93Å; V219-P252 HydrophobicContact CG1-CG 4.06Å; V219-P252 HydrophobicContact CG2-CB 3.79Å; V219-P252 HydrophobicContact CG2-CG 4.24Å; P252-L278 HydrophobicContact CB-CD1 3.65Å; P252-L278 HydrophobicContact CB-CD2 4.36Å; P252-F321 VanDerWaalsContact C-CZ 3.41Å; P252-F321 HydrophobicContact CB-CZ 4.28Å; P252-F321 VanDerWaalsContact O-CZ 3.31Å; P252-F321 WeakPolarHBondContact O-CZ 3.46Å
253S93Very high96.1Very high30 Ų3022.5 Ų22.521%0.2112%0.121CC..SBendtrans-155.7161.5178-174.60000111.3F251 G296F251-S253 WeakPolarHBondContact CD1-O 3.39Å; F251-S253 WeakPolarHBondContact CE1-O 3.37Å; F251-S253 PolarHBondContact O-N 2.79Å; S253-G296 VanDerWaalsContact O-CA 3.24Å; S253-G296 WeakPolarHBondContact O-CA 3.39Å
254Q90.2Very high96.2Very high116 Ų11620.6 Ų20.654%0.54211%0.112SC..SBendtrans-72.5161.5156.866.9-172.429.200109.9L294Q254-L294 HydrophobicContact CB-CD2 4.49Å
255G88.6Confident96.4Very high49 Ų4919.9 Ų19.951%0.50511%0.105SC..  trans139.2-33.1170.700000113.3
256T95.2Very high96.5Very high8 Ų815.1 Ų15.15%0.0499%0.087CC..  trans-78.3159.3173.461.60000111C234 F251 D260 N293 I297C234-T256 VanDerWaalsContact SG-CG2 3.55Å; F251-T256 HydrophobicContact CD1-CG2 3.95Å; F251-T256 HydrophobicContact CE1-CG2 3.73Å; F251-T256 HydrophobicContact CZ-CG2 4.38Å; T256-D260 WeakPolarHBondContact CA-OD2 3.4Å; T256-D260 HydrophobicContact CG2-CB 4.4Å; T256-N293 WeakPolarHBondContact O-CB 3.34Å; T256-N293 PolarHBondContact O-N 3.19Å; T256-N293 WeakPolarHBondContact OG1-CB 2.95Å; T256-N293 PolarHBondContact OG1-ND2 2.95Å; T256-I297 HydrophobicContact CG2-CD1 3.87Å
257K97Very high96.7Very high50 Ų5015.1 Ų15.122%0.2179%0.087CC..BIsolated β-bridgetrans-131.9178.5-178.3-63.5177.9-173.381.10110.4W259 D260 H291 N293K257-W259 VanDerWaalsContact C-N 3.27Å; K257-W259 HydrophobicContact CB-CD2 3.92Å; K257-W259 HydrophobicContact CB-CE3 4.41Å; K257-W259 HydrophobicContact CB-CG 4.42Å; K257-W259 HydrophobicContact CB-CH2 4.42Å; K257-W259 HydrophobicContact CB-CZ2 3.94Å; K257-W259 HydrophobicContact CD-CH2 3.6Å; K257-W259 HydrophobicContact CD-CZ2 3.05Å; K257-W259 HydrophobicContact CG-CZ2 4.11Å; K257-W259 PolarHBondContact O-N 3.21Å; K257-D260 PolarHBondContact N-OD2 3.3Å; K257-D260 WeakPolarHBondContact O-CB 3.1Å; K257-D260 PolarHBondContact O-N 3.02Å; K257-D260 VanDerWaalsContact O-N 3.15Å; K257-H291 CarbonylContact C-O 3.39Å; K257-H291 WeakPolarHBondContact CA-O 3.29Å; K257-H291 WeakPolarHBondContact CB-O 3.42Å; K257-N293 VanDerWaalsContact C-ND2 3.31Å; K257-N293 PolarHBondContact O-ND2 2.88Å
258K98.3Very high96.8Very high13 Ų1314.9 Ų14.96%0.0579%0.086CC..Hα-helixtrans-62.4-30.5-175.8-63.8-54.3169.5-74.10113.7W110 T261 C262 K284 Y285 K290 H291 D292 N293W110-K258 HydrophobicContact CD2-CB 3.79Å; W110-K258 HydrophobicContact CE3-CB 3.5Å; W110-K258 VanDerWaalsContact CE3-CB 3.5Å; W110-K258 HydrophobicContact CH2-CB 3.83Å; W110-K258 HydrophobicContact CH2-CG 3.98Å; W110-K258 HydrophobicContact CZ2-CB 4.11Å; W110-K258 HydrophobicContact CZ2-CG 4.29Å; W110-K258 HydrophobicContact CZ3-CB 3.52Å; W110-K258 HydrophobicContact CZ3-CG 4.11Å; K258-T261 PolarHBondContact O-N 3.24Å; K258-C262 WeakPolarHBondContact O-CB 3.3Å; K258-C262 PolarHBondContact O-N 3.36Å; K258-K284 WeakPolarHBondContact CD-O 3.41Å; K258-K284 WeakPolarHBondContact CE-O 3.47Å; K258-Y285 HydrophobicContact CB-CD1 3.89Å; K258-Y285 HydrophobicContact CB-CE1 4.07Å; K258-Y285 HydrophobicContact CD-CD1 3.8Å; K258-Y285 HydrophobicContact CD-CE1 3.76Å; K258-Y285 HydrophobicContact CG-CD1 4.21Å; K258-Y285 HydrophobicContact CG-CE1 4.44Å; K258-Y285 WeakPolarHBondContact O-CE1 3.15Å; K258-K290 WeakPolarHBondContact CE-O 3.37Å; K258-K290 PolarHBondContact NZ-O 3.28Å; K258-H291 WeakPolarHBondContact CG-O 3.2Å; K258-H291 PolarHBondContact N-O 3.25Å; K258-H291 PolarHBondContact NZ-O 3.06Å; K258-H291 VanDerWaalsContact NZ-O 3.09Å; K258-D292 PolarHBondContact NZ-O 3.06Å; K258-N293 WeakPolarHBondContact CE-OD1 3.35Å; K258-N293 PolarHBondContact NZ-OD1 3.41Å
259W98.5Very high96.9Very high14 Ų1419.2 Ų19.25%0.05310%0.102CC..Hα-helixtrans-68-34.5174.945.684.5000113I69 E71 W110 D112 K257 T261 H291I69-W259 HydrophobicContact CG2-CE3 4.41Å; I69-W259 HydrophobicContact CG2-CZ3 4.23Å; E71-W259 HydrophobicContact CB-CD2 3.95Å; E71-W259 HydrophobicContact CB-CG 4.04Å; E71-W259 HydrophobicContact CB-CZ2 3.9Å; E71-W259 HydrophobicContact CG-CZ2 3.73Å; E71-W259 PolarHBondContact OE1-NE1 3.31Å; E71-W259 PolarHBondContact OE2-NE1 2.97Å; W110-W259 HydrophobicContact CE3-CE3 4.11Å; W110-W259 HydrophobicContact CZ3-CE3 4.23Å; D112-W259 HydrophobicContact CB-CB 4.07Å; D112-W259 HydrophobicContact CB-CG 4.48Å; K257-W259 VanDerWaalsContact C-N 3.27Å; K257-W259 HydrophobicContact CB-CD2 3.92Å; K257-W259 HydrophobicContact CB-CE3 4.41Å; K257-W259 HydrophobicContact CB-CG 4.42Å; K257-W259 HydrophobicContact CB-CH2 4.42Å; K257-W259 HydrophobicContact CB-CZ2 3.94Å; K257-W259 HydrophobicContact CD-CH2 3.6Å; K257-W259 HydrophobicContact CD-CZ2 3.05Å; K257-W259 HydrophobicContact CG-CZ2 4.11Å; K257-W259 PolarHBondContact O-N 3.21Å; W259-T261 VanDerWaalsContact C-N 3.28Å; W259-T261 PolarHBondContact O-N 3.23Å; W259-H291 HydrophobicContact CH2-CB 4.3Å; W259-H291 AromaticContact CH2-ND1 3.8Å; W259-H291 HydrophobicContact CZ3-CB 4.06Å; W259-H291 AromaticContact CZ3-CG 3.84Å; W259-H291 AromaticContact CZ3-ND1 3.46Å; W259-H291 WeakPolarHBondContact CZ3-ND1 3.32Å
260D98.4Very high97Very high18 Ų1819.9 Ų19.910%0.09611%0.108CC..Hα-helixtrans-62.3-32.5173.2-69.1-91.9000113.3C234 T256 K257 P264C234-D260 HydrophobicContact CB-CB 3.93Å; C234-D260 WeakPolarHBondContact CB-O 3.42Å; C234-D260 PolarHBondContact SG-OD1 3.35Å; C234-D260 VanDerWaalsContact SG-OD1 3.38Å; T256-D260 WeakPolarHBondContact CA-OD2 3.4Å; T256-D260 HydrophobicContact CG2-CB 4.4Å; K257-D260 PolarHBondContact N-OD2 3.3Å; K257-D260 WeakPolarHBondContact O-CB 3.1Å; K257-D260 PolarHBondContact O-N 3.02Å; K257-D260 VanDerWaalsContact O-N 3.15Å; D260-P264 WeakPolarHBondContact O-CD 3.17Å; D260-P264 VanDerWaalsContact O-CG 3.25Å; D260-P264 WeakPolarHBondContact O-CG 3.32Å
261T98.7Very high97Very high1 Ų121.8 Ų21.81%0.00612%0.121CC..Hα-helixtrans-111.7-25.1-167.757.70000114.4K258 W259 A263 E265 L275 Y283 Y285 N293 I297K258-T261 PolarHBondContact O-N 3.24Å; W259-T261 VanDerWaalsContact C-N 3.28Å; W259-T261 PolarHBondContact O-N 3.23Å; T261-A263 PolarHBondContact O-N 2.85Å; T261-E265 WeakPolarHBondContact O-CB 3.45Å; T261-E265 PolarHBondContact O-N 3.46Å; T261-L275 HydrophobicContact CG2-CD2 4.19Å; T261-Y283 HydrophobicContact CG2-CE2 4.43Å; T261-Y285 VanDerWaalsContact CB-OH 3.25Å; T261-Y285 WeakPolarHBondContact CB-OH 3.39Å; T261-Y285 PolarHBondContact O-OH 3.45Å; T261-Y285 WeakPolarHBondContact OG1-CE1 3.47Å; T261-Y285 PolarHBondContact OG1-OH 3.29Å; T261-N293 VanDerWaalsContact CG2-ND2 3.32Å; T261-N293 WeakPolarHBondContact CG2-ND2 3.18Å; T261-N293 PolarHBondContact OG1-ND2 3.02Å; T261-I297 HydrophobicContact CG2-CD1 3.57Å; T261-I297 HydrophobicContact CG2-CG1 4.09Å
262C98.9Very high97Very high0 Ų023.5 Ų23.50%014%0.141CC..Hα-helixtrans-61.6-51.8-173.8-172.40000112.6W110 K258 A266 Y285W110-C262 HydrophobicContact CB-CB 3.81Å; W110-C262 HydrophobicContact CG-CB 4.06Å; K258-C262 WeakPolarHBondContact O-CB 3.3Å; K258-C262 PolarHBondContact O-N 3.36Å; C262-A266 WeakPolarHBondContact O-CB 3.4Å; C262-A266 PolarHBondContact O-N 2.94Å; C262-A266 VanDerWaalsContact O-N 3.08Å; C262-Y285 VanDerWaalsContact CA-CE1 3.42Å; C262-Y285 HydrophobicContact CB-CD1 3.53Å; C262-Y285 HydrophobicContact CB-CE1 3.48Å; C262-Y285 VanDerWaalsContact CB-CE1 3.48Å; C262-Y285 HydrophobicContact CB-CG 4.33Å
263A98.9Very high97.2Very high0 Ų023.7 Ų23.70%014%0.143CC..Hα-helixtrans-68.7-47.8179.400000111.3L131 I132 V144 T261 E265 A266 V267L131-A263 HydrophobicContact CB-CB 3.93Å; I132-A263 VanDerWaalsContact C-CB 3.48Å; V144-A263 WeakPolarHBondContact O-CB 3.43Å; T261-A263 PolarHBondContact O-N 2.85Å; A263-E265 PolarHBondContact O-N 2.84Å; A263-A266 PolarHBondContact O-N 3.47Å; A263-V267 WeakPolarHBondContact O-CG2 3.39Å; A263-V267 PolarHBondContact O-N 3.22Å
264P98.9Very high97.4Very high1 Ų124.1 Ų24.11%0.00614%0.143CC..Hα-helixtrans-61.1-39.8178.4-28.640.6000113.9L131 I145 V238 D260 L268L131-P264 HydrophobicContact CD1-CG 3.91Å; L131-P264 HydrophobicContact CD2-CG 3.99Å; I145-P264 HydrophobicContact CD1-CB 4.22Å; I145-P264 HydrophobicContact CD1-CG 4.32Å; I145-P264 HydrophobicContact CG1-CG 4.43Å; V238-P264 HydrophobicContact CB-CB 3.88Å; V238-P264 HydrophobicContact CG1-CB 4.19Å; V238-P264 HydrophobicContact CG2-CB 3.53Å; D260-P264 WeakPolarHBondContact O-CD 3.17Å; D260-P264 VanDerWaalsContact O-CG 3.25Å; D260-P264 WeakPolarHBondContact O-CG 3.32Å; P264-L268 WeakPolarHBondContact O-CB 3.4Å; P264-L268 PolarHBondContact O-N 2.72Å
265E98.8Very high97.8Very high1 Ų118.7 Ų18.71%0.00512%0.117CC..Hα-helixtrans-63.6-47.5174.2-178.8175.416300111.4P140 T261 A263 V267 L268 R269 L275 Y285P140-E265 HydrophobicContact CB-CG 4.43Å; P140-E265 HydrophobicContact CG-CB 4.19Å; P140-E265 HydrophobicContact CG-CG 3.64Å; P140-E265 VanDerWaalsContact CG-OE1 3.26Å; P140-E265 WeakPolarHBondContact CG-OE1 3.22Å; T261-E265 WeakPolarHBondContact O-CB 3.45Å; T261-E265 PolarHBondContact O-N 3.46Å; A263-E265 PolarHBondContact O-N 2.84Å; E265-V267 VanDerWaalsContact C-N 3.35Å; E265-V267 PolarHBondContact O-N 3.35Å; E265-L268 PolarHBondContact O-N 3.38Å; E265-R269 HydrophobicContact CG-CG 4.1Å; E265-R269 WeakPolarHBondContact O-CB 3.47Å; E265-R269 WeakPolarHBondContact O-CG 3.22Å; E265-R269 PolarHBondContact O-N 2.79Å; E265-R269 IonicContact OE1-NH1 3.78Å; E265-R269 PolarHBondContact OE1-NH1 3.28Å; E265-L275 HydrophobicContact CB-CB 4.01Å; E265-L275 HydrophobicContact CB-CD1 4.38Å; E265-L275 HydrophobicContact CB-CD2 4.25Å; E265-L275 HydrophobicContact CB-CG 4.44Å; E265-L275 HydrophobicContact CG-CB 3.96Å; E265-Y285 WeakPolarHBondContact OE2-CE2 3.47Å; E265-Y285 PolarHBondContact OE2-OH 3.12Å
266A98.8Very high98.3Very high0 Ų016.5 Ų16.50%09%0.094CC..Hα-helixtrans-59.5-45.6-179.600000112.2P140 G142 C262 A263 A270P140-A266 HydrophobicContact CB-CB 4.05Å; G142-A266 WeakPolarHBondContact O-CB 3.37Å; C262-A266 WeakPolarHBondContact O-CB 3.4Å; C262-A266 PolarHBondContact O-N 2.94Å; C262-A266 VanDerWaalsContact O-N 3.08Å; A263-A266 PolarHBondContact O-N 3.47Å; A266-A270 WeakPolarHBondContact O-CB 3.38Å; A266-A270 PolarHBondContact O-N 2.57Å
267V98.9Very high98.4Very high0 Ų016.5 Ų16.50%09%0.094CC..Hα-helixtrans-65.5-45.9178.2177.50000110.5G143 I145 V168 V176 L242 A263 E265 R269 A270 S271G143-V267 WeakPolarHBondContact O-CG2 3.33Å; I145-V267 HydrophobicContact CD1-CB 4.11Å; I145-V267 HydrophobicContact CD1-CG1 4.25Å; I145-V267 HydrophobicContact CD1-CG2 4.26Å; I145-V267 HydrophobicContact CG1-CG2 4.13Å; V168-V267 HydrophobicContact CG1-CG1 3.93Å; V176-V267 HydrophobicContact CG1-CG1 3.79Å; V176-V267 HydrophobicContact CG2-CG1 3.97Å; V176-V267 WeakPolarHBondContact CG2-O 3.48Å; L242-V267 HydrophobicContact CD1-CG1 3.69Å; A263-V267 WeakPolarHBondContact O-CG2 3.39Å; A263-V267 PolarHBondContact O-N 3.22Å; E265-V267 VanDerWaalsContact C-N 3.35Å; E265-V267 PolarHBondContact O-N 3.35Å; V267-R269 PolarHBondContact O-N 3.03Å; V267-A270 PolarHBondContact O-N 3.41Å; V267-S271 PolarHBondContact O-N 3.04Å
268L98.8Very high98.3Very high0 Ų014.1 Ų14.10%08%0.083CC..Hα-helixtrans-63-40.7178.9-174.161.1000112.3V238 L241 L242 P264 E265 A270 S271 G272 G273 I274 L275 A299V238-L268 HydrophobicContact CG1-CB 4Å; V238-L268 HydrophobicContact CG1-CD1 4.45Å; L241-L268 HydrophobicContact CB-CD1 4.47Å; L241-L268 HydrophobicContact CD1-CD2 4.15Å; L242-L268 HydrophobicContact CD2-CD1 4.08Å; L242-L268 HydrophobicContact CG-CD1 4.48Å; P264-L268 WeakPolarHBondContact O-CB 3.4Å; P264-L268 PolarHBondContact O-N 2.72Å; E265-L268 PolarHBondContact O-N 3.38Å; L268-A270 VanDerWaalsContact C-N 3.33Å; L268-A270 PolarHBondContact O-N 2.84Å; L268-S271 PolarHBondContact O-N 3.08Å; L268-S271 PolarHBondContact O-OG 3.27Å; L268-G272 PolarHBondContact O-N 2.63Å; L268-G273 WeakPolarHBondContact O-CA 3.43Å; L268-G273 PolarHBondContact O-N 2.71Å; L268-I274 VanDerWaalsContact CD2-O 3.28Å; L268-I274 WeakPolarHBondContact CD2-O 3.34Å; L268-L275 HydrophobicContact CD2-CB 4.2Å; L268-A299 HydrophobicContact CD2-CB 3.82Å
269R98.6Very high98.2Very high92 Ų9214.6 Ų14.635%0.3479%0.088SC..Hα-helixtrans-64-39.3175-72.7174.470.1121.510.1111.9V172 E265 V267 S271 G272 G273V172-R269 HydrophobicContact CG2-CB 3.96Å; E265-R269 HydrophobicContact CG-CG 4.1Å; E265-R269 WeakPolarHBondContact O-CB 3.47Å; E265-R269 WeakPolarHBondContact O-CG 3.22Å; E265-R269 PolarHBondContact O-N 2.79Å; E265-R269 IonicContact OE1-NH1 3.78Å; E265-R269 PolarHBondContact OE1-NH1 3.28Å; V267-R269 PolarHBondContact O-N 3.03Å; R269-S271 PolarHBondContact O-N 3.23Å; R269-G272 PolarHBondContact O-N 3.37Å; R269-G273 WeakPolarHBondContact CA-O 3.49Å
270A98.5Very high98.1Very high16 Ų1615 Ų1513%0.13210%0.096CC..Hα-helixtrans-64.4-22.617700000112.8G175 V176 A266 V267 L268G175-A270 WeakPolarHBondContact CA-O 3.41Å; G175-A270 WeakPolarHBondContact O-CB 3.33Å; V176-A270 HydrophobicContact CG2-CB 3.7Å; A266-A270 WeakPolarHBondContact O-CB 3.38Å; A266-A270 PolarHBondContact O-N 2.57Å; V267-A270 PolarHBondContact O-N 3.41Å; L268-A270 VanDerWaalsContact C-N 3.33Å; L268-A270 PolarHBondContact O-N 2.84Å
271S98.1Very high98Very high40 Ų4019.1 Ų19.128%0.2812%0.115SC..THydrogen-bonded Turntrans-91.82.2171.268.80000114.6L242 V267 L268 R269L242-S271 WeakPolarHBondContact CD2-OG 3.43Å; V267-S271 PolarHBondContact O-N 3.04Å; L268-S271 PolarHBondContact O-N 3.08Å; L268-S271 PolarHBondContact O-OG 3.27Å; R269-S271 PolarHBondContact O-N 3.23Å
272G97.5Very high97.9Very high43 Ų4323 Ų2344%0.44314%0.139SC..THydrogen-bonded Turntrans90.27.6-177.800000115.5L268 R269 A303L268-G272 PolarHBondContact O-N 2.63Å; R269-G272 PolarHBondContact O-N 3.37Å; G272-A303 PolarHBondContact O-N 2.92Å
273G97.9Very high97.9Very high5 Ų524 Ų245%0.05214%0.144CC..  trans-85.9-174.3171.500000112.9L268 R269 T300 P301L268-G273 WeakPolarHBondContact O-CA 3.43Å; L268-G273 PolarHBondContact O-N 2.71Å; R269-G273 WeakPolarHBondContact CA-O 3.49Å; G273-T300 CarbonylContact C-O 3.56Å; G273-T300 WeakPolarHBondContact CA-O 3.36Å; G273-P301 VanDerWaalsContact CA-C 3.47Å; G273-P301 VanDerWaalsContact CA-O 3.32Å; G273-P301 WeakPolarHBondContact CA-O 3.46Å; G273-P301 PolarHBondContact N-O 3.37Å
274I98.2Very high97.8Very high40 Ų4031.2 Ų31.221%0.20518%0.175CC..EExtended strand (participates in β ladder)trans-146147177.1-162.4168.1000110.5L268 T276 A299 T300 A303 L306L268-I274 VanDerWaalsContact CD2-O 3.28Å; L268-I274 WeakPolarHBondContact CD2-O 3.34Å; I274-T276 HydrophobicContact CD1-CG2 4.07Å; I274-T276 HydrophobicContact CG1-CG2 3.98Å; I274-A299 CarbonylContact O-C 3.51Å; I274-A299 WeakPolarHBondContact O-CA 3.42Å; I274-A299 WeakPolarHBondContact O-CB 3.41Å; I274-T300 WeakPolarHBondContact CG2-OG1 3.49Å; I274-T300 PolarHBondContact N-O 3.25Å; I274-T300 PolarHBondContact O-N 3.11Å; I274-A303 HydrophobicContact CB-CB 3.95Å; I274-A303 HydrophobicContact CG2-CB 4.23Å; I274-L306 HydrophobicContact CD1-CD2 3.95Å; I274-L306 HydrophobicContact CG1-CD2 4.48Å; I274-L306 HydrophobicContact CG2-CB 3.79Å; I274-L306 HydrophobicContact CG2-CD1 4.29Å; I274-L306 HydrophobicContact CG2-CD2 3.98Å; I274-L306 HydrophobicContact CG2-CG 4.24Å
275L98.7Very high97.8Very high2 Ų231.1 Ų31.11%0.0117%0.174CC..EExtended strand (participates in β ladder)trans-130.6127.7170.3-176.4156.6000107.5V238 T261 E265 L268 Y283 I297 A299V238-L275 HydrophobicContact CG2-CD1 4.18Å; T261-L275 HydrophobicContact CG2-CD2 4.19Å; E265-L275 HydrophobicContact CB-CB 4.01Å; E265-L275 HydrophobicContact CB-CD1 4.38Å; E265-L275 HydrophobicContact CB-CD2 4.25Å; E265-L275 HydrophobicContact CB-CG 4.44Å; E265-L275 HydrophobicContact CG-CB 3.96Å; L268-L275 HydrophobicContact CD2-CB 4.2Å; L275-Y283 HydrophobicContact CD2-CD2 3.7Å; L275-Y283 HydrophobicContact CD2-CE2 3.58Å; L275-I297 HydrophobicContact CD1-CG2 4.05Å; L275-I297 HydrophobicContact CD2-CG2 4.1Å; L275-I297 HydrophobicContact CG-CG2 3.83Å; L275-A299 HydrophobicContact CB-CB 3.8Å; L275-A299 HydrophobicContact CD1-CB 4.09Å; L275-A299 HydrophobicContact CG-CB 3.82Å
276T98.3Very high97.7Very high3 Ų333.5 Ų33.52%0.01819%0.187CC..EExtended strand (participates in β ladder)trans-136.3-178.5179.461.60000110.1I274 G280 Q281 I297 L298 L306I274-T276 HydrophobicContact CD1-CG2 4.07Å; I274-T276 HydrophobicContact CG1-CG2 3.98Å; T276-G280 WeakPolarHBondContact OG1-CA 3.35Å; T276-Q281 VanDerWaalsContact CB-O 3.28Å; T276-Q281 WeakPolarHBondContact CB-O 3.41Å; T276-I297 WeakPolarHBondContact O-CA 3.4Å; T276-L298 PolarHBondContact N-O 3.24Å; T276-L298 PolarHBondContact O-N 3.16Å; T276-L298 PolarHBondContact OG1-O 3.38Å; T276-L306 HydrophobicContact CG2-CD2 3.55Å
277D97.2Very high97.6Very high7 Ų737.1 Ų37.14%0.03721%0.206CC..  trans-70.7175.5158.275.517.2000112.9T279 G280 Q281 Y283 R295 G296D277-T279 VanDerWaalsContact CG-OG1 3.28Å; D277-T279 PolarHBondContact O-N 3.15Å; D277-T279 VanDerWaalsContact OD1-CA 3.28Å; D277-T279 WeakPolarHBondContact OD1-CA 3.47Å; D277-T279 WeakPolarHBondContact OD1-CB 3.48Å; D277-T279 PolarHBondContact OD1-N 2.82Å; D277-T279 PolarHBondContact OD1-OG1 3.47Å; D277-T279 PolarHBondContact OD2-OG1 2.86Å; D277-G280 PolarHBondContact O-N 3.32Å; D277-G280 VanDerWaalsContact O-N 3.1Å; D277-G280 PolarHBondContact OD1-N 3.2Å; D277-Q281 PolarHBondContact N-O 3.26Å; D277-Q281 PolarHBondContact OD1-N 2.94Å; D277-Y283 HydrophobicContact CB-CE1 4.46Å; D277-R295 HydrophobicContact CB-CB 3.52Å; D277-R295 WeakPolarHBondContact OD2-CB 3.48Å; D277-R295 WeakPolarHBondContact OD2-CD 3.45Å; D277-R295 IonicContact OD2-NH1 2.94Å; D277-G296 VanDerWaalsContact CA-O 3.22Å; D277-G296 WeakPolarHBondContact CA-O 3.4Å
278L95.7Very high97.4Very high0 Ų044.1 Ų44.10%024%0.243CC..THydrogen-bonded Turntrans-61.8-22.9178.2-70.4-179.4000113.9V250 P252 G280 R295 L298 L313 V317 F321V250-L278 HydrophobicContact CG2-CD2 3.83Å; P252-L278 HydrophobicContact CB-CD1 3.65Å; P252-L278 HydrophobicContact CB-CD2 4.36Å; L278-G280 VanDerWaalsContact C-N 3.29Å; L278-R295 WeakPolarHBondContact CB-O 3.4Å; L278-R295 WeakPolarHBondContact CG-O 3.44Å; L278-R295 PolarHBondContact N-O 2.91Å; L278-R295 VanDerWaalsContact N-O 3.07Å; L278-L298 HydrophobicContact CD2-CB 4.36Å; L278-L313 HydrophobicContact CB-CD1 4.26Å; L278-L313 VanDerWaalsContact O-CD1 3.24Å; L278-L313 WeakPolarHBondContact O-CD1 3.39Å; L278-V317 HydrophobicContact CD1-CG1 4.46Å; L278-F321 HydrophobicContact CD1-CD1 3.47Å; L278-F321 VanDerWaalsContact CD1-CD1 3.47Å; L278-F321 HydrophobicContact CD1-CD2 3.9Å; L278-F321 HydrophobicContact CD1-CE1 3.46Å; L278-F321 VanDerWaalsContact CD1-CE1 3.46Å; L278-F321 HydrophobicContact CD1-CE2 3.87Å; L278-F321 HydrophobicContact CD1-CG 3.71Å; L278-F321 HydrophobicContact CD1-CZ 3.67Å; L278-F321 HydrophobicContact CG-CD1 4.32Å
279T95.3Very high97.3Very high24 Ų2444.7 Ų44.715%0.14725%0.248CC..THydrogen-bonded Turntrans-87.6-1.9-179.874.70000112.4D277 Q281 L318 F321 S322D277-T279 VanDerWaalsContact CG-OG1 3.28Å; D277-T279 PolarHBondContact O-N 3.15Å; D277-T279 VanDerWaalsContact OD1-CA 3.28Å; D277-T279 WeakPolarHBondContact OD1-CA 3.47Å; D277-T279 WeakPolarHBondContact OD1-CB 3.48Å; D277-T279 PolarHBondContact OD1-N 2.82Å; D277-T279 PolarHBondContact OD1-OG1 3.47Å; D277-T279 PolarHBondContact OD2-OG1 2.86Å; T279-Q281 WeakPolarHBondContact OG1-CG 3.44Å; T279-L318 HydrophobicContact CG2-CD2 4.48Å; T279-F321 HydrophobicContact CG2-CB 4.36Å; T279-S322 WeakPolarHBondContact CG2-OG 3.15Å
280G96.4Very high97.1Very high22 Ų2246.5 Ų46.523%0.22726%0.258CS..SBendtrans83.69.2-177.300000114.1T276 D277 L278T276-G280 WeakPolarHBondContact OG1-CA 3.35Å; D277-G280 PolarHBondContact O-N 3.32Å; D277-G280 VanDerWaalsContact O-N 3.1Å; D277-G280 PolarHBondContact OD1-N 3.2Å; L278-G280 VanDerWaalsContact C-N 3.29Å
281Q96.8Very high97Very high105 Ų10549.2 Ų49.249%0.49127%0.268SS..PPolyproline II helixtrans-84.1139.8178.5-61.7-60.4-43.900111.3T276 D277 T279T276-Q281 VanDerWaalsContact CB-O 3.28Å; T276-Q281 WeakPolarHBondContact CB-O 3.41Å; D277-Q281 PolarHBondContact N-O 3.26Å; D277-Q281 PolarHBondContact OD1-N 2.94Å; T279-Q281 WeakPolarHBondContact OG1-CG 3.44Å
282P97.2Very high96.9Very high81 Ų8151.1 Ų51.153%0.52628%0.275SS..PPolyproline II helixtrans-71.8147.8177.630.9-35000111.2
283Y97.4Very high96.9Very high23 Ų2349.1 Ų49.19%0.0925%0.254CS..PPolyproline II helixtrans-72.9152.5168.6-70.5-67.5000111.7T261 L275 D277 Y285 N293 G296T261-Y283 HydrophobicContact CG2-CE2 4.43Å; L275-Y283 HydrophobicContact CD2-CD2 3.7Å; L275-Y283 HydrophobicContact CD2-CE2 3.58Å; D277-Y283 HydrophobicContact CB-CE1 4.46Å; Y283-Y285 VanDerWaalsContact CB-CE2 3.43Å; Y283-Y285 VanDerWaalsContact CB-CZ 3.49Å; Y283-Y285 WeakPolarHBondContact CB-OH 3.43Å; Y283-N293 WeakPolarHBondContact CD1-OD1 3.25Å; Y283-N293 HydrophobicContact CE1-CB 3.68Å; Y283-N293 VanDerWaalsContact CE1-CG 3.43Å; Y283-N293 WeakPolarHBondContact CE1-OD1 3.48Å; Y283-G296 PolarHBondContact OH-O 2.86Å
284K97.2Very high96.7Very high150 Ų15051 Ų5165%0.65226%0.263SS*.  trans-107.9138.2168.1-64.8-175.2-179.2179.30109.4K258 A289K258-K284 WeakPolarHBondContact CD-O 3.41Å; K258-K284 WeakPolarHBondContact CE-O 3.47Å; K284-A289 WeakPolarHBondContact O-CB 3.49Å
285Y98.5Very high96.6Very high0 Ų051.9 Ų51.90%026%0.264CS..  trans-125.620.9-175.3-61.8-84.8000112.4W110 S135 G138 P140 K258 T261 C262 E265 Y283W110-Y285 PolarHBondContact NE1-O 2.96Å; S135-Y285 PolarHBondContact OG-O 3.25Å; G138-Y285 PolarHBondContact O-N 3.12Å; P140-Y285 HydrophobicContact CB-CD2 4.15Å; P140-Y285 HydrophobicContact CB-CE2 4.08Å; P140-Y285 HydrophobicContact CG-CD2 3.95Å; P140-Y285 HydrophobicContact CG-CE2 3.67Å; K258-Y285 HydrophobicContact CB-CD1 3.89Å; K258-Y285 HydrophobicContact CB-CE1 4.07Å; K258-Y285 HydrophobicContact CD-CD1 3.8Å; K258-Y285 HydrophobicContact CD-CE1 3.76Å; K258-Y285 HydrophobicContact CG-CD1 4.21Å; K258-Y285 HydrophobicContact CG-CE1 4.44Å; K258-Y285 WeakPolarHBondContact O-CE1 3.15Å; T261-Y285 VanDerWaalsContact CB-OH 3.25Å; T261-Y285 WeakPolarHBondContact CB-OH 3.39Å; T261-Y285 PolarHBondContact O-OH 3.45Å; T261-Y285 WeakPolarHBondContact OG1-CE1 3.47Å; T261-Y285 PolarHBondContact OG1-OH 3.29Å; C262-Y285 VanDerWaalsContact CA-CE1 3.42Å; C262-Y285 HydrophobicContact CB-CD1 3.53Å; C262-Y285 HydrophobicContact CB-CE1 3.48Å; C262-Y285 VanDerWaalsContact CB-CE1 3.48Å; C262-Y285 HydrophobicContact CB-CG 4.33Å; E265-Y285 WeakPolarHBondContact OE2-CE2 3.47Å; E265-Y285 PolarHBondContact OE2-OH 3.12Å; Y283-Y285 VanDerWaalsContact CB-CE2 3.43Å; Y283-Y285 VanDerWaalsContact CB-CZ 3.49Å; Y283-Y285 WeakPolarHBondContact CB-OH 3.43Å
286D97.3Very high96.5Very high50 Ų5051.8 Ų51.827%0.26726%0.264SS..SBendtrans-71.8167.8175.764.687.8000111.4N288 A289D286-N288 PolarHBondContact O-N 2.65Å; D286-N288 PolarHBondContact OD1-N 2.64Å; D286-A289 WeakPolarHBondContact O-CB 3.41Å; D286-A289 PolarHBondContact O-N 3.1Å; D286-A289 PolarHBondContact OD1-N 2.76Å
287L96.3Very high96.4Very high77 Ų7751.7 Ų51.740%0.40326%0.263SS..THydrogen-bonded Turntrans-57.7-27.3-174.4-176.262.6000113.5H67 I69 V108H67-L287 HydrophobicContact CB-CD1 4.06Å; I69-L287 HydrophobicContact CD1-CD1 4.25Å; V108-L287 HydrophobicContact CG2-CB 4.04Å
288N96.1Very high96.5Very high146 Ų14651.3 Ų51.378%0.78126%0.261SS*.THydrogen-bonded Turntrans-99.23.2-178.3-57.4-61.5000112.6D286 K290D286-N288 PolarHBondContact O-N 2.65Å; D286-N288 PolarHBondContact OD1-N 2.64Å; N288-K290 PolarHBondContact O-N 2.86Å
289A95.1Very high96.6Very high12 Ų1251.3 Ų51.310%0.09926%0.261CS..SBendtrans-63.7133.1178.200000110.1K284 D286 H291K284-A289 WeakPolarHBondContact O-CB 3.49Å; D286-A289 WeakPolarHBondContact O-CB 3.41Å; D286-A289 PolarHBondContact O-N 3.1Å; D286-A289 PolarHBondContact OD1-N 2.76Å; A289-H291 PolarHBondContact O-N 3.5Å
290K95.6Very high96.7Very high130 Ų13050.2 Ų50.257%0.56525%0.254SS*.  trans-56.5134.5168.7-67.6-177.8-177.51730108.9K258 N288 D292 D325K258-K290 WeakPolarHBondContact CE-O 3.37Å; K258-K290 PolarHBondContact NZ-O 3.28Å; N288-K290 PolarHBondContact O-N 2.86Å; K290-D292 VanDerWaalsContact C-N 3.33Å; K290-D292 PolarHBondContact O-N 3.39Å; K290-D325 PolarHBondContact NZ-O 3.08Å; K290-D325 PolarHBondContact NZ-OXT 3.19Å
291H96.4Very high96.7Very high73 Ų7349.6 Ų49.634%0.33825%0.246SC..SBendtrans-65.4-39.3-177-62.4178.2000111.2W110 K257 K258 W259 A289W110-H291 AromaticContact CH2-CD2 3.69Å; W110-H291 AromaticContact CZ3-CD2 3.69Å; W110-H291 AromaticContact CZ3-NE2 3.96Å; K257-H291 CarbonylContact C-O 3.39Å; K257-H291 WeakPolarHBondContact CA-O 3.29Å; K257-H291 WeakPolarHBondContact CB-O 3.42Å; K258-H291 WeakPolarHBondContact CG-O 3.2Å; K258-H291 PolarHBondContact N-O 3.25Å; K258-H291 PolarHBondContact NZ-O 3.06Å; K258-H291 VanDerWaalsContact NZ-O 3.09Å; W259-H291 HydrophobicContact CH2-CB 4.3Å; W259-H291 AromaticContact CH2-ND1 3.8Å; W259-H291 HydrophobicContact CZ3-CB 4.06Å; W259-H291 AromaticContact CZ3-CG 3.84Å; W259-H291 AromaticContact CZ3-ND1 3.46Å; W259-H291 WeakPolarHBondContact CZ3-ND1 3.32Å; A289-H291 PolarHBondContact O-N 3.5Å
292D96.3Very high96.6Very high80 Ų8046.2 Ų46.243%0.42823%0.233SC..BIsolated β-bridgetrans-67.4138.3-175.2-56.7-65.9000114.2K258 K290 L294K258-D292 PolarHBondContact NZ-O 3.06Å; K290-D292 VanDerWaalsContact C-N 3.33Å; K290-D292 PolarHBondContact O-N 3.39Å; D292-L294 HydrophobicContact CB-CD2 3.65Å; D292-L294 HydrophobicContact CB-CG 4.13Å
293N96Very high96.6Very high1 Ų144 Ų441%0.00522%0.221CC..  trans-98.785.1168.1-64.5-25.7000108.8T256 K257 K258 T261 Y283 R295T256-N293 WeakPolarHBondContact O-CB 3.34Å; T256-N293 PolarHBondContact O-N 3.19Å; T256-N293 WeakPolarHBondContact OG1-CB 2.95Å; T256-N293 PolarHBondContact OG1-ND2 2.95Å; K257-N293 VanDerWaalsContact C-ND2 3.31Å; K257-N293 PolarHBondContact O-ND2 2.88Å; K258-N293 WeakPolarHBondContact CE-OD1 3.35Å; K258-N293 PolarHBondContact NZ-OD1 3.41Å; T261-N293 VanDerWaalsContact CG2-ND2 3.32Å; T261-N293 WeakPolarHBondContact CG2-ND2 3.18Å; T261-N293 PolarHBondContact OG1-ND2 3.02Å; Y283-N293 WeakPolarHBondContact CD1-OD1 3.25Å; Y283-N293 HydrophobicContact CE1-CB 3.68Å; Y283-N293 VanDerWaalsContact CE1-CG 3.43Å; Y283-N293 WeakPolarHBondContact CE1-OD1 3.48Å; N293-R295 PolarHBondContact O-N 3.25Å
294L95.2Very high96.4Very high46 Ų4649.6 Ų49.624%0.24125%0.252CS..THydrogen-bonded Turntrans-73.5-19.5-173.1-56.5179000113.5Q254 D292 R324 D325Q254-L294 HydrophobicContact CB-CD2 4.49Å; D292-L294 HydrophobicContact CB-CD2 3.65Å; D292-L294 HydrophobicContact CB-CG 4.13Å; L294-R324 HydrophobicContact CB-CB 3.82Å; L294-R324 WeakPolarHBondContact O-CD 3.27Å; L294-R324 PolarHBondContact O-NH1 3.39Å; L294-D325 WeakPolarHBondContact CD1-O 3.46Å
295R95.5Very high96.3Very high58 Ų5843.1 Ų43.122%0.21922%0.224CC..THydrogen-bonded Turntrans-100.214.2-167.9-59.6-169.7178.7179.5-0.9114.6D277 L278 N293 F321 S322 R324 D325D277-R295 HydrophobicContact CB-CB 3.52Å; D277-R295 WeakPolarHBondContact OD2-CB 3.48Å; D277-R295 WeakPolarHBondContact OD2-CD 3.45Å; D277-R295 IonicContact OD2-NH1 2.94Å; L278-R295 WeakPolarHBondContact CB-O 3.4Å; L278-R295 WeakPolarHBondContact CG-O 3.44Å; L278-R295 PolarHBondContact N-O 2.91Å; L278-R295 VanDerWaalsContact N-O 3.07Å; N293-R295 PolarHBondContact O-N 3.25Å; R295-F321 VanDerWaalsContact C-CD1 3.44Å; R295-F321 WeakPolarHBondContact CG-O 3.49Å; R295-F321 WeakPolarHBondContact O-CD1 3.36Å; R295-S322 PolarHBondContact NH2-O 3.44Å; R295-R324 HydrophobicContact CG-CB 4.27Å; R295-R324 PolarHBondContact NE-O 3.12Å; R295-R324 PolarHBondContact NH2-O 3.06Å; R295-D325 IonicContact CZ-OD1 2.95Å; R295-D325 IonicContact NH2-OD1 2.73Å; R295-D325 PolarHBondContact NH2-OD1 2.78Å
296G95.8Very high96.1Very high0 Ų043.8 Ų43.80%023%0.227CC..  trans68178.3178.700000113.7F251 S253 D277 Y283F251-G296 CarbonylContact O-C 3.49Å; F251-G296 WeakPolarHBondContact O-CA 3.24Å; S253-G296 VanDerWaalsContact O-CA 3.24Å; S253-G296 WeakPolarHBondContact O-CA 3.39Å; D277-G296 VanDerWaalsContact CA-O 3.22Å; D277-G296 WeakPolarHBondContact CA-O 3.4Å; Y283-G296 PolarHBondContact OH-O 2.86Å
297I98Very high95.9Very high0 Ų045.6 Ų45.60%024%0.242CC..EExtended strand (participates in β ladder)trans-118.3137.6-178.6-60.4164.8000110.1Y249 V250 F251 T256 T261 L275 T276 A299Y249-I297 HydrophobicContact CD1-CG2 3.96Å; Y249-I297 HydrophobicContact CE1-CB 4.32Å; Y249-I297 HydrophobicContact CE1-CD1 4.15Å; Y249-I297 HydrophobicContact CE1-CG2 3.67Å; Y249-I297 WeakPolarHBondContact OH-CD1 3.48Å; V250-I297 WeakPolarHBondContact CA-O 3.34Å; F251-I297 HydrophobicContact CB-CB 4.04Å; F251-I297 HydrophobicContact CD1-CD1 4.48Å; F251-I297 PolarHBondContact N-O 3.07Å; F251-I297 PolarHBondContact O-N 2.97Å; T256-I297 HydrophobicContact CG2-CD1 3.87Å; T261-I297 HydrophobicContact CG2-CD1 3.57Å; T261-I297 HydrophobicContact CG2-CG1 4.09Å; L275-I297 HydrophobicContact CD1-CG2 4.05Å; L275-I297 HydrophobicContact CD2-CG2 4.1Å; L275-I297 HydrophobicContact CG-CG2 3.83Å; T276-I297 WeakPolarHBondContact O-CA 3.4Å; I297-A299 HydrophobicContact CG2-CB 4.45Å
298L97.8Very high95.7Very high0 Ų044.1 Ų44.10%024%0.238CC..EExtended strand (participates in β ladder)trans-131.3121.8164.3-169.264000108.8F223 V248 Y249 V250 T276 L278 L306 V310F223-L298 HydrophobicContact CE2-CD1 4.2Å; F223-L298 HydrophobicContact CZ-CD1 3.87Å; V248-L298 HydrophobicContact CG2-CD1 3.49Å; V248-L298 VanDerWaalsContact CG2-CD1 3.49Å; V248-L298 HydrophobicContact CG2-CG 4.42Å; Y249-L298 WeakPolarHBondContact O-CA 3.49Å; V250-L298 HydrophobicContact CB-CD1 4.29Å; V250-L298 HydrophobicContact CG2-CD1 4.21Å; T276-L298 PolarHBondContact N-O 3.24Å; T276-L298 PolarHBondContact O-N 3.16Å; T276-L298 PolarHBondContact OG1-O 3.38Å; L278-L298 HydrophobicContact CD2-CB 4.36Å; L298-L306 HydrophobicContact CB-CD1 4.22Å; L298-L306 HydrophobicContact CD2-CD1 3.58Å; L298-L306 HydrophobicContact CG-CD1 3.72Å; L298-V310 HydrophobicContact CD2-CG2 3.68Å
299A98.4Very high95.6Very high0 Ų037.2 Ų37.20%020%0.201CC..EExtended strand (participates in β ladder)trans-138.8140.6-178.700000112.8L241 V248 Y249 L268 I274 L275 I297L241-A299 HydrophobicContact CD1-CB 3.94Å; V248-A299 CarbonylContact C-O 3.55Å; V248-A299 VanDerWaalsContact CA-O 3.3Å; V248-A299 WeakPolarHBondContact CA-O 3.43Å; V248-A299 WeakPolarHBondContact CG2-O 3.19Å; Y249-A299 HydrophobicContact CD1-CB 4.2Å; Y249-A299 PolarHBondContact N-O 3.38Å; Y249-A299 PolarHBondContact O-N 2.93Å; L268-A299 HydrophobicContact CD2-CB 3.82Å; I274-A299 CarbonylContact O-C 3.51Å; I274-A299 WeakPolarHBondContact O-CA 3.42Å; I274-A299 WeakPolarHBondContact O-CB 3.41Å; L275-A299 HydrophobicContact CB-CB 3.8Å; L275-A299 HydrophobicContact CD1-CB 4.09Å; L275-A299 HydrophobicContact CG-CB 3.82Å; I297-A299 HydrophobicContact CG2-CB 4.45Å
300T97.1Very high95.6Very high0 Ų038 Ų380%020%0.204CC..EExtended strand (participates in β ladder)trans-132.1146.7-179.461.40000110.8V248 G273 I274 V302 W305 Y309V248-T300 HydrophobicContact CB-CG2 4.35Å; V248-T300 HydrophobicContact CG2-CG2 4.2Å; G273-T300 CarbonylContact C-O 3.56Å; G273-T300 WeakPolarHBondContact CA-O 3.36Å; I274-T300 WeakPolarHBondContact CG2-OG1 3.49Å; I274-T300 PolarHBondContact N-O 3.25Å; I274-T300 PolarHBondContact O-N 3.11Å; T300-V302 PolarHBondContact O-N 2.78Å; T300-V302 PolarHBondContact OG1-O 3.19Å; T300-W305 HydrophobicContact CG2-CB 4.15Å; T300-Y309 HydrophobicContact CG2-CD2 3.53Å; T300-Y309 HydrophobicContact CG2-CE2 3.59Å
301P96.7Very high95.5Very high10 Ų1036.4 Ų36.47%0.06521%0.21CC..SBendtrans-71-11.6177.630.6-34.3000113.1L241 H247 G273 W305L241-P301 HydrophobicContact CB-CB 4.39Å; H247-P301 WeakPolarHBondContact O-CD 3.43Å; G273-P301 VanDerWaalsContact CA-C 3.47Å; G273-P301 VanDerWaalsContact CA-O 3.32Å; G273-P301 WeakPolarHBondContact CA-O 3.46Å; G273-P301 PolarHBondContact N-O 3.37Å; P301-W305 HydrophobicContact CG-CE3 4.12Å; P301-W305 HydrophobicContact CG-CH2 4.34Å; P301-W305 HydrophobicContact CG-CZ3 3.64Å
302V95.4Very high95.3Very high34 Ų3434.6 Ų34.621%0.20621%0.205CC..SBendtrans-130.3122.4173.8-178.50000108.5L183 T300 D304 W305L183-V302 HydrophobicContact CD2-CG2 3.36Å; T300-V302 PolarHBondContact O-N 2.78Å; T300-V302 PolarHBondContact OG1-O 3.19Å; V302-D304 VanDerWaalsContact C-N 3.31Å; V302-D304 HydrophobicContact CG1-CB 4.41Å; V302-D304 PolarHBondContact O-N 3.02Å; V302-W305 HydrophobicContact CB-CD2 3.64Å; V302-W305 HydrophobicContact CB-CE3 4.28Å; V302-W305 HydrophobicContact CB-CG 3.76Å; V302-W305 HydrophobicContact CB-CZ2 4.09Å; V302-W305 HydrophobicContact CG1-CD2 4.44Å; V302-W305 HydrophobicContact CG1-CG 4.22Å; V302-W305 HydrophobicContact CG2-CD2 4.05Å; V302-W305 HydrophobicContact CG2-CE3 4.45Å; V302-W305 HydrophobicContact CG2-CH2 4.05Å; V302-W305 HydrophobicContact CG2-CZ2 3.58Å; V302-W305 HydrophobicContact CG2-CZ3 4.45Å; V302-W305 VanDerWaalsContact O-CB 3.3Å; V302-W305 WeakPolarHBondContact O-CB 3.34Å; V302-W305 PolarHBondContact O-N 3.44Å; V302-W305 VanDerWaalsContact O-N 3.11Å
303A95.9Very high95.1Very high33 Ų3331.2 Ų31.227%0.27319%0.187SC..G310 helixtrans-57.4-40.6-174.400000113.7G272 I274 W305 L306G272-A303 PolarHBondContact O-N 2.92Å; I274-A303 HydrophobicContact CB-CB 3.95Å; I274-A303 HydrophobicContact CG2-CB 4.23Å; A303-W305 PolarHBondContact O-N 2.95Å; A303-L306 WeakPolarHBondContact O-CB 3.17Å; A303-L306 PolarHBondContact O-N 2.87Å; A303-L306 VanDerWaalsContact O-N 3.12Å
304D93.7Very high94.9Very high141 Ų14132.5 Ų32.575%0.75420%0.195SC*.G310 helixtrans-63.1-12-179.2-65.8-12.3000113.8V302V302-D304 VanDerWaalsContact C-N 3.31Å; V302-D304 HydrophobicContact CG1-CB 4.41Å; V302-D304 PolarHBondContact O-N 3.02Å
305W94.3Very high94.8Very high15 Ų1537 Ų376%0.05721%0.213CC..G310 helixtrans-79.6-25.9178.7-62.34.7000112.7L183 P184 K187 L188 H247 T300 P301 V302 A303 S308 Y309L183-W305 HydrophobicContact CD2-CH2 4.35Å; P184-W305 HydrophobicContact CG-CH2 3.82Å; P184-W305 HydrophobicContact CG-CZ3 3.92Å; K187-W305 HydrophobicContact CB-CZ2 4.26Å; L188-W305 HydrophobicContact CB-CD2 4.28Å; L188-W305 HydrophobicContact CB-CG 4.14Å; L188-W305 HydrophobicContact CD1-CB 3.4Å; L188-W305 VanDerWaalsContact CD1-CD1 3.41Å; L188-W305 HydrophobicContact CD1-CD2 3.88Å; L188-W305 HydrophobicContact CD1-CG 3.25Å; L188-W305 HydrophobicContact CG-CB 4.29Å; L188-W305 HydrophobicContact CG-CD2 3.76Å; L188-W305 HydrophobicContact CG-CE3 4.47Å; L188-W305 HydrophobicContact CG-CG 3.67Å; H247-W305 HydrophobicContact CB-CZ3 4.38Å; T300-W305 HydrophobicContact CG2-CB 4.15Å; P301-W305 HydrophobicContact CG-CE3 4.12Å; P301-W305 HydrophobicContact CG-CH2 4.34Å; P301-W305 HydrophobicContact CG-CZ3 3.64Å; V302-W305 HydrophobicContact CB-CD2 3.64Å; V302-W305 HydrophobicContact CB-CE3 4.28Å; V302-W305 HydrophobicContact CB-CG 3.76Å; V302-W305 HydrophobicContact CB-CZ2 4.09Å; V302-W305 HydrophobicContact CG1-CD2 4.44Å; V302-W305 HydrophobicContact CG1-CG 4.22Å; V302-W305 HydrophobicContact CG2-CD2 4.05Å; V302-W305 HydrophobicContact CG2-CE3 4.45Å; V302-W305 HydrophobicContact CG2-CH2 4.05Å; V302-W305 HydrophobicContact CG2-CZ2 3.58Å; V302-W305 HydrophobicContact CG2-CZ3 4.45Å; V302-W305 VanDerWaalsContact O-CB 3.3Å; V302-W305 WeakPolarHBondContact O-CB 3.34Å; V302-W305 PolarHBondContact O-N 3.44Å; V302-W305 VanDerWaalsContact O-N 3.11Å; A303-W305 PolarHBondContact O-N 2.95Å; W305-S308 WeakPolarHBondContact O-CB 3.36Å; W305-S308 PolarHBondContact O-N 2.85Å; W305-S308 VanDerWaalsContact O-N 3.11Å; W305-Y309 HydrophobicContact CB-CD2 4.4Å; W305-Y309 HydrophobicContact CB-CE2 4.05Å; W305-Y309 WeakPolarHBondContact O-CD2 3.12Å; W305-Y309 PolarHBondContact O-N 3.45Å
306L94.7Very high94.6Very high13 Ų1340.6 Ų40.67%0.06823%0.232CC..Hα-helixtrans-54.4-47-172.3-176.674.8000113.7I274 T276 L298 A303 S308 Y309 V310I274-L306 HydrophobicContact CD1-CD2 3.95Å; I274-L306 HydrophobicContact CG1-CD2 4.48Å; I274-L306 HydrophobicContact CG2-CB 3.79Å; I274-L306 HydrophobicContact CG2-CD1 4.29Å; I274-L306 HydrophobicContact CG2-CD2 3.98Å; I274-L306 HydrophobicContact CG2-CG 4.24Å; T276-L306 HydrophobicContact CG2-CD2 3.55Å; L298-L306 HydrophobicContact CB-CD1 4.22Å; L298-L306 HydrophobicContact CD2-CD1 3.58Å; L298-L306 HydrophobicContact CG-CD1 3.72Å; A303-L306 WeakPolarHBondContact O-CB 3.17Å; A303-L306 PolarHBondContact O-N 2.87Å; A303-L306 VanDerWaalsContact O-N 3.12Å; L306-S308 PolarHBondContact O-N 2.96Å; L306-Y309 PolarHBondContact O-N 3.05Å; L306-Y309 VanDerWaalsContact O-N 3.08Å; L306-V310 HydrophobicContact CD1-CG2 4.42Å; L306-V310 HydrophobicContact CG-CG2 4.22Å; L306-V310 WeakPolarHBondContact O-CG2 3.45Å; L306-V310 PolarHBondContact O-N 3.17Å
307P93.6Very high94.5Very high88 Ų8841 Ų4157%0.57123%0.234SC*.Hα-helixtrans-59.5-32.1-179.1-25.136.1000113.6S311P307-S311 WeakPolarHBondContact O-CB 3.37Å; P307-S311 PolarHBondContact O-N 2.95Å
308S92.8Very high94.2Very high46 Ų4642.9 Ų42.932%0.32224%0.244SC..Hα-helixtrans-65.5-44.2177.4-610000110.9W305 L306 S311 C312W305-S308 WeakPolarHBondContact O-CB 3.36Å; W305-S308 PolarHBondContact O-N 2.85Å; W305-S308 VanDerWaalsContact O-N 3.11Å; L306-S308 PolarHBondContact O-N 2.96Å; S308-S311 PolarHBondContact O-N 3.1Å; S308-S311 PolarHBondContact O-OG 2.9Å; S308-C312 PolarHBondContact O-N 3.29Å; S308-C312 PolarHBondContact O-SG 3.47Å
309Y94.1Very high94.1Very high2 Ų247.2 Ų47.21%0.00827%0.267CS..Hα-helixtrans-67.4-44.5176.7-70.6-76000112I192 H203 F223 H247 V248 T300 W305 L306 S311 C312I192-Y309 HydrophobicContact CD1-CD1 3.42Å; I192-Y309 VanDerWaalsContact CD1-CD1 3.42Å; I192-Y309 HydrophobicContact CD1-CE1 3.61Å; I192-Y309 HydrophobicContact CD1-CG 3.93Å; I192-Y309 HydrophobicContact CG1-CE1 4.33Å; H203-Y309 AromaticContact CE1-CE1 3.86Å; H203-Y309 AromaticContact NE2-CE1 3.44Å; H203-Y309 WeakPolarHBondContact NE2-CE1 3.42Å; H203-Y309 AromaticContact NE2-CZ 3.78Å; H203-Y309 PolarHBondContact NE2-OH 3.04Å; F223-Y309 AromaticContact CD1-CD1 3.86Å; F223-Y309 HydrophobicContact CD1-CD1 3.86Å; F223-Y309 HydrophobicContact CE1-CD1 4.02Å; F223-Y309 WeakPolarHBondContact CE1-O 3.11Å; F223-Y309 HydrophobicContact CG-CD1 4.18Å; F223-Y309 HydrophobicContact CZ-CD1 4.43Å; H247-Y309 VanDerWaalsContact CB-OH 3.29Å; H247-Y309 WeakPolarHBondContact CB-OH 3.35Å; V248-Y309 HydrophobicContact CB-CD1 4.1Å; V248-Y309 HydrophobicContact CB-CD2 4.47Å; V248-Y309 HydrophobicContact CB-CE1 3.71Å; V248-Y309 HydrophobicContact CB-CE2 4.09Å; V248-Y309 HydrophobicContact CB-CG 4.47Å; V248-Y309 HydrophobicContact CG1-CD1 3.93Å; V248-Y309 HydrophobicContact CG1-CE1 3.4Å; V248-Y309 VanDerWaalsContact CG1-CE1 3.4Å; V248-Y309 HydrophobicContact CG2-CD1 4.12Å; V248-Y309 HydrophobicContact CG2-CD2 4.45Å; V248-Y309 HydrophobicContact CG2-CE1 4.25Å; V248-Y309 HydrophobicContact CG2-CG 4.24Å; T300-Y309 HydrophobicContact CG2-CD2 3.53Å; T300-Y309 HydrophobicContact CG2-CE2 3.59Å; W305-Y309 HydrophobicContact CB-CD2 4.4Å; W305-Y309 HydrophobicContact CB-CE2 4.05Å; W305-Y309 WeakPolarHBondContact O-CD2 3.12Å; W305-Y309 PolarHBondContact O-N 3.45Å; L306-Y309 PolarHBondContact O-N 3.05Å; L306-Y309 VanDerWaalsContact O-N 3.08Å; Y309-S311 PolarHBondContact O-N 3.29Å; Y309-C312 WeakPolarHBondContact O-CB 3.06Å; Y309-C312 PolarHBondContact O-N 3.12Å
310V94.5Very high93.8Very high28 Ų2851 Ų5117%0.1729%0.288CS..Hα-helixtrans-58-39.7176177.90000110.7L298 L306 C312 L313 L318L298-V310 HydrophobicContact CD2-CG2 3.68Å; L306-V310 HydrophobicContact CD1-CG2 4.42Å; L306-V310 HydrophobicContact CG-CG2 4.22Å; L306-V310 WeakPolarHBondContact O-CG2 3.45Å; L306-V310 PolarHBondContact O-N 3.17Å; V310-C312 PolarHBondContact O-N 2.67Å; V310-L313 PolarHBondContact O-N 2.82Å; V310-L313 VanDerWaalsContact O-N 3.16Å; V310-L318 HydrophobicContact CG1-CD2 4.34Å
311S92.5Very high93.6Very high97 Ų9751 Ų5168%0.67829%0.288SS*.Hα-helixtrans-67.1-18.6178.279.30000115P307 S308 Y309P307-S311 WeakPolarHBondContact O-CB 3.37Å; P307-S311 PolarHBondContact O-N 2.95Å; S308-S311 PolarHBondContact O-N 3.1Å; S308-S311 PolarHBondContact O-OG 2.9Å; Y309-S311 PolarHBondContact O-N 3.29Å
312C92.3Very high93.4Very high35 Ų3553.1 Ų53.124%0.23630%0.303CS..Hα-helixtrans-82.9-18.8176.2-73.30000112.7I192 A222 F223 S308 Y309 V310I192-C312 HydrophobicContact CD1-CB 4.39Å; I192-C312 WeakPolarHBondContact CD1-SG 3.45Å; A222-C312 WeakPolarHBondContact CB-O 3.37Å; F223-C312 HydrophobicContact CD1-CB 3.89Å; F223-C312 HydrophobicContact CE1-CB 4.15Å; S308-C312 PolarHBondContact O-N 3.29Å; S308-C312 PolarHBondContact O-SG 3.47Å; Y309-C312 WeakPolarHBondContact O-CB 3.06Å; Y309-C312 PolarHBondContact O-N 3.12Å; V310-C312 PolarHBondContact O-N 2.67Å
313L93.2Very high93.3Very high9 Ų955.4 Ų55.45%0.04733%0.325CS..SBendtrans-70.2132.3-178.3-66.4176.4000110.8V219 F223 L278 V310 L318V219-L313 HydrophobicContact CB-CD2 4.43Å; V219-L313 HydrophobicContact CG1-CD2 3.58Å; V219-L313 HydrophobicContact CG2-CD2 4.33Å; F223-L313 HydrophobicContact CE1-CD2 3.73Å; F223-L313 HydrophobicContact CE1-CG 4.1Å; F223-L313 HydrophobicContact CZ-CD2 3.61Å; F223-L313 HydrophobicContact CZ-CG 4.21Å; L278-L313 HydrophobicContact CB-CD1 4.26Å; L278-L313 VanDerWaalsContact O-CD1 3.24Å; L278-L313 WeakPolarHBondContact O-CD1 3.39Å; V310-L313 PolarHBondContact O-N 2.82Å; V310-L313 VanDerWaalsContact O-N 3.16Å; L313-L318 HydrophobicContact CB-CD1 4.31Å; L313-L318 HydrophobicContact CB-CD2 4.01Å; L313-L318 HydrophobicContact CB-CG 3.97Å; L313-L318 HydrophobicContact CD1-CD2 3.86Å
314P90.7Very high93Very high27 Ų2756.2 Ų56.218%0.17532%0.321CS..  trans-57143.1174.7-26.236.7000111.1F218 A222 E316 V317 L318F218-P314 HydrophobicContact CD1-CG 4.32Å; F218-P314 HydrophobicContact CE1-CB 3.79Å; F218-P314 HydrophobicContact CE1-CG 3.5Å; F218-P314 VanDerWaalsContact CE1-CG 3.5Å; F218-P314 HydrophobicContact CE2-CG 4.49Å; F218-P314 HydrophobicContact CZ-CB 3.97Å; F218-P314 HydrophobicContact CZ-CG 3.6Å; A222-P314 HydrophobicContact CB-CG 4.45Å; P314-E316 WeakPolarHBondContact CB-OE2 3.21Å; P314-E316 PolarHBondContact O-N 3.17Å; P314-V317 HydrophobicContact CB-CG2 4.2Å; P314-V317 HydrophobicContact CG-CG2 4.35Å; P314-V317 WeakPolarHBondContact O-CB 3.49Å; P314-V317 PolarHBondContact O-N 2.75Å; P314-L318 PolarHBondContact O-N 2.75Å; P314-L318 VanDerWaalsContact O-N 3.14Å
315K93.1Very high91.9Very high142 Ų14256.2 Ų56.262%0.61732%0.321SS*.Hα-helixtrans-57.2-38.3-177.5-174.5-175.9173.2-170.90111.6V317 L318 D319K315-V317 VanDerWaalsContact C-N 3.26Å; K315-V317 PolarHBondContact O-N 2.89Å; K315-L318 PolarHBondContact O-N 2.71Å; K315-L318 VanDerWaalsContact O-N 3.16Å; K315-D319 WeakPolarHBondContact CE-OD2 3.24Å; K315-D319 WeakPolarHBondContact O-CB 3.39Å; K315-D319 VanDerWaalsContact O-CG 3.29Å; K315-D319 PolarHBondContact O-N 3.26Å
316E93Very high91.8Very high132 Ų13258.3 Ų58.362%0.61733%0.334SS*.Hα-helixtrans-63-34.6-179.9-56.374.9-159.700111.9P314 D320P314-E316 WeakPolarHBondContact CB-OE2 3.21Å; P314-E316 PolarHBondContact O-N 3.17Å; E316-D320 WeakPolarHBondContact O-CB 3.17Å; E316-D320 PolarHBondContact O-N 2.78Å
317V92.4Very high91.6Very high9 Ų960.7 Ų60.76%0.05535%0.348CS..Hα-helixtrans-69.4-47.2174.2175.90000109.8F218 V219 L278 P314 K315 D319 D320 F321F218-V317 HydrophobicContact CD1-CG2 3.78Å; F218-V317 HydrophobicContact CE1-CG2 3.75Å; V219-V317 HydrophobicContact CG2-CG1 3.75Å; V219-V317 HydrophobicContact CG2-CG2 4.05Å; L278-V317 HydrophobicContact CD1-CG1 4.46Å; P314-V317 HydrophobicContact CB-CG2 4.2Å; P314-V317 HydrophobicContact CG-CG2 4.35Å; P314-V317 WeakPolarHBondContact O-CB 3.49Å; P314-V317 PolarHBondContact O-N 2.75Å; K315-V317 VanDerWaalsContact C-N 3.26Å; K315-V317 PolarHBondContact O-N 2.89Å; V317-D319 VanDerWaalsContact C-N 3.3Å; V317-D319 PolarHBondContact O-N 3.35Å; V317-D320 PolarHBondContact O-N 2.83Å; V317-F321 HydrophobicContact CG1-CD2 3.79Å; V317-F321 HydrophobicContact CG1-CE2 4Å; V317-F321 WeakPolarHBondContact O-CB 3.22Å; V317-F321 VanDerWaalsContact O-CD2 3.24Å; V317-F321 WeakPolarHBondContact O-CD2 3.46Å; V317-F321 PolarHBondContact O-N 3.23Å
318L92.9Very high91.5Very high39 Ų3959.2 Ų59.220%0.20434%0.336CS..Hα-helixtrans-61.3-41.2178.9-68.5174.1000111.7T279 V310 L313 P314 K315 S322T279-L318 HydrophobicContact CG2-CD2 4.48Å; V310-L318 HydrophobicContact CG1-CD2 4.34Å; L313-L318 HydrophobicContact CB-CD1 4.31Å; L313-L318 HydrophobicContact CB-CD2 4.01Å; L313-L318 HydrophobicContact CB-CG 3.97Å; L313-L318 HydrophobicContact CD1-CD2 3.86Å; P314-L318 PolarHBondContact O-N 2.75Å; P314-L318 VanDerWaalsContact O-N 3.14Å; K315-L318 PolarHBondContact O-N 2.71Å; K315-L318 VanDerWaalsContact O-N 3.16Å; L318-S322 WeakPolarHBondContact O-CB 3.03Å; L318-S322 PolarHBondContact O-N 2.83Å; L318-S322 PolarHBondContact O-OG 2.78Å
319D94Very high91.5Very high91 Ų9159.9 Ų59.949%0.48734%0.337SS..Hα-helixtrans-65.5-46.1178.8-71.8-14.3000111.2K315 V317 S322 A323K315-D319 WeakPolarHBondContact CE-OD2 3.24Å; K315-D319 WeakPolarHBondContact O-CB 3.39Å; K315-D319 VanDerWaalsContact O-CG 3.29Å; K315-D319 PolarHBondContact O-N 3.26Å; V317-D319 VanDerWaalsContact C-N 3.3Å; V317-D319 PolarHBondContact O-N 3.35Å; D319-S322 PolarHBondContact O-N 3.47Å; D319-A323 PolarHBondContact O-N 2.81Å
320D93.7Very high91.3Very high80 Ų8063.6 Ų63.643%0.42836%0.357SS..Hα-helixtrans-60.9-48.8176.9175.648000112E316 V317 A323 R324E316-D320 WeakPolarHBondContact O-CB 3.17Å; E316-D320 PolarHBondContact O-N 2.78Å; V317-D320 PolarHBondContact O-N 2.83Å; D320-A323 PolarHBondContact O-N 2.74Å; D320-R324 WeakPolarHBondContact O-CG 3.39Å; D320-R324 IonicContact OD1-NH2 3.17Å; D320-R324 IonicContact OD2-CZ 3.32Å; D320-R324 IonicContact OD2-NE 3.62Å; D320-R324 IonicContact OD2-NH2 3.67Å; D320-R324 PolarHBondContact OD2-NH2 3.04Å
321F93Very high91.1Very high1 Ų165.9 Ų65.90%0.00437%0.37CS..Hα-helixtrans-70.9-32.5-179.4-80.6-98.6000112.5T215 P252 L278 T279 R295 V317 A323 R324T215-F321 HydrophobicContact CG2-CE2 3.97Å; T215-F321 HydrophobicContact CG2-CZ 4.21Å; P252-F321 VanDerWaalsContact C-CZ 3.41Å; P252-F321 HydrophobicContact CB-CZ 4.28Å; P252-F321 VanDerWaalsContact O-CZ 3.31Å; P252-F321 WeakPolarHBondContact O-CZ 3.46Å; L278-F321 HydrophobicContact CD1-CD1 3.47Å; L278-F321 VanDerWaalsContact CD1-CD1 3.47Å; L278-F321 HydrophobicContact CD1-CD2 3.9Å; L278-F321 HydrophobicContact CD1-CE1 3.46Å; L278-F321 VanDerWaalsContact CD1-CE1 3.46Å; L278-F321 HydrophobicContact CD1-CE2 3.87Å; L278-F321 HydrophobicContact CD1-CG 3.71Å; L278-F321 HydrophobicContact CD1-CZ 3.67Å; L278-F321 HydrophobicContact CG-CD1 4.32Å; T279-F321 HydrophobicContact CG2-CB 4.36Å; R295-F321 VanDerWaalsContact C-CD1 3.44Å; R295-F321 WeakPolarHBondContact CG-O 3.49Å; R295-F321 WeakPolarHBondContact O-CD1 3.36Å; V317-F321 HydrophobicContact CG1-CD2 3.79Å; V317-F321 HydrophobicContact CG1-CE2 4Å; V317-F321 WeakPolarHBondContact O-CB 3.22Å; V317-F321 VanDerWaalsContact O-CD2 3.24Å; V317-F321 WeakPolarHBondContact O-CD2 3.46Å; V317-F321 PolarHBondContact O-N 3.23Å; F321-A323 PolarHBondContact O-N 3.08Å; F321-R324 PolarHBondContact O-N 3.08Å
322S92.4Very high91Very high54 Ų5463.7 Ų63.738%0.37835%0.348SS..Hα-helixtrans-65-27.3174.6-62.90000112.9T279 R295 L318 D319 R324T279-S322 WeakPolarHBondContact CG2-OG 3.15Å; R295-S322 PolarHBondContact NH2-O 3.44Å; L318-S322 WeakPolarHBondContact O-CB 3.03Å; L318-S322 PolarHBondContact O-N 2.83Å; L318-S322 PolarHBondContact O-OG 2.78Å; D319-S322 PolarHBondContact O-N 3.47Å; S322-R324 PolarHBondContact O-N 3.11Å
323A92.8Very high90.9Very high82 Ų8265.9 Ų65.968%0.67836%0.356SS*.THydrogen-bonded Turntrans-78.8-3.6-179.500000114.1D319 D320 F321D319-A323 PolarHBondContact O-N 2.81Å; D320-A323 PolarHBondContact O-N 2.74Å; F321-A323 PolarHBondContact O-N 3.08Å
324R89Confident90.7Very high50 Ų5070.7 Ų70.719%0.18938%0.382CS..  trans-94.6114.3-177-53.5176.2-174.5-168.51.6110L294 R295 D320 F321 S322L294-R324 HydrophobicContact CB-CB 3.82Å; L294-R324 WeakPolarHBondContact O-CD 3.27Å; L294-R324 PolarHBondContact O-NH1 3.39Å; R295-R324 HydrophobicContact CG-CB 4.27Å; R295-R324 PolarHBondContact NE-O 3.12Å; R295-R324 PolarHBondContact NH2-O 3.06Å; D320-R324 WeakPolarHBondContact O-CG 3.39Å; D320-R324 IonicContact OD1-NH2 3.17Å; D320-R324 IonicContact OD2-CZ 3.32Å; D320-R324 IonicContact OD2-NE 3.62Å; D320-R324 IonicContact OD2-NH2 3.67Å; D320-R324 PolarHBondContact OD2-NH2 3.04Å; F321-R324 PolarHBondContact O-N 3.08Å; S322-R324 PolarHBondContact O-N 3.11Å
325D71.3Confident90.7Very high141 Ų14174.6 Ų74.675%0.75440%0.401SS*.  trans-118.60-176.6-84.3-12.4000114.7K290 L294 R295K290-D325 PolarHBondContact NZ-O 3.08Å; K290-D325 PolarHBondContact NZ-OXT 3.19Å; L294-D325 WeakPolarHBondContact CD1-O 3.46Å; R295-D325 IonicContact CZ-OD1 2.95Å; R295-D325 IonicContact NH2-OD1 2.73Å; R295-D325 PolarHBondContact NH2-OD1 2.78Å

Retrieved 325 of 325 residues in 1214.2 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).