A0A087X8I8_POEFO Loading...

Nucleolar protein 8

Plays an essential role in the survival of diffuse-type gastric cancer cells. Acts as a nucleolar anchoring protein for DDX47. May be involved in regulation of gene expression at the post-transcriptional level or in ribosome biogenesis in cancer cells.

AlphaFold DB , UniProt , Accession A0A087X8I8, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 1,094 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
1M81.4Confident88.2Confident118 Ų11849.4 Ų49.458%0.58123%0.234SC*.  0132.70-163174.6-172.200110.8L29 N51 I52 N53M1-L29 HydrophobicContact CE-CD1 4.03Å; M1-L29 HydrophobicContact CG-CD1 4.05Å; M1-L29 HydrophobicContact SD-CD1 4.04Å; M1-N51 HydrophobicContact CE-CB 3.76Å; M1-I52 CarbonylContact C-O 3.55Å; M1-I52 VanDerWaalsContact CA-O 3.32Å; M1-I52 WeakPolarHBondContact CA-O 3.5Å; M1-N53 WeakPolarHBondContact CA-OD1 3.27Å; M1-N53 PolarHBondContact N-OD1 2.78Å
2R87.4Confident88Confident133 Ų13351.5 Ų51.550%0.50225%0.253SS..EExtended strand (participates in β ladder)trans-138147.2166.9-69.7-67.5-166.5174.83.4107I52 L59R2-I52 PolarHBondContact N-O 3.34Å; R2-I52 PolarHBondContact O-N 3.23Å; R2-L59 HydrophobicContact CG-CD2 4.38Å
3R90.1Very high88Confident40 Ų4048 Ų4815%0.15124%0.237CC..EExtended strand (participates in β ladder)trans-100.5130171.8-162.4172.1-170.6-1342.3108.9E32 I50 N51 A81R3-E32 IonicContact NH2-OE2 2.72Å; R3-E32 PolarHBondContact NH2-OE2 2.86Å; R3-I50 CarbonylContact C-O 3.58Å; R3-I50 WeakPolarHBondContact CA-O 3.33Å; R3-N51 WeakPolarHBondContact CB-OD1 3.39Å; R3-N51 VanDerWaalsContact CG-OD1 3.27Å; R3-N51 WeakPolarHBondContact CG-OD1 3.45Å; R3-A81 HydrophobicContact CB-CB 4.19Å; R3-A81 HydrophobicContact CG-CB 4Å; R3-A81 PolarHBondContact O-N 3.07Å
4L91.4Very high88.2Confident0 Ų049.3 Ų49.30%025%0.249CC..EExtended strand (participates in β ladder)trans-113.2139.7177.9-55.1-176.2000109.8F22 Y49 I50 I52 I54 L59 I78 E79L4-F22 HydrophobicContact CD1-CD1 4.27Å; L4-F22 HydrophobicContact CD1-CE1 4.1Å; L4-Y49 CarbonylContact O-C 3.44Å; L4-Y49 VanDerWaalsContact O-CA 3.27Å; L4-Y49 WeakPolarHBondContact O-CA 3.41Å; L4-I50 PolarHBondContact N-O 2.7Å; L4-I50 PolarHBondContact O-N 3.27Å; L4-I52 HydrophobicContact CD1-CG2 3.91Å; L4-I52 HydrophobicContact CG-CG2 4Å; L4-I54 HydrophobicContact CD1-CD1 3.98Å; L4-L59 HydrophobicContact CD1-CD1 4.13Å; L4-L59 HydrophobicContact CD2-CD1 3.52Å; L4-L59 HydrophobicContact CG-CD1 4.47Å; L4-I78 HydrophobicContact CD1-CG2 4.42Å; L4-E79 CarbonylContact C-O 3.57Å; L4-E79 WeakPolarHBondContact CA-O 3.48Å
5Y92.2Very high88.3Confident42 Ų4253.3 Ų53.317%0.16527%0.266CS..EExtended strand (participates in β ladder)trans-90.9137.5164.9171.3-109000108.5F47 Y49 I78 E79Y5-F47 HydrophobicContact CD2-CD2 4.44Å; Y5-F47 HydrophobicContact CE2-CB 3.66Å; Y5-F47 AromaticContact CE2-CD2 3.74Å; Y5-F47 HydrophobicContact CE2-CD2 3.74Å; Y5-F47 AromaticContact CE2-CG 3.93Å; Y5-F47 HydrophobicContact CE2-CG 3.93Å; Y5-Y49 HydrophobicContact CD2-CD1 4.14Å; Y5-Y49 AromaticContact CD2-CE1 3.61Å; Y5-Y49 HydrophobicContact CD2-CE1 3.61Å; Y5-Y49 HydrophobicContact CG-CE1 4.28Å; Y5-I78 WeakPolarHBondContact O-CA 3.36Å; Y5-E79 HydrophobicContact CD1-CB 4.43Å; Y5-E79 PolarHBondContact N-O 3.37Å; Y5-E79 PolarHBondContact O-N 3.02Å; Y5-E79 VanDerWaalsContact O-N 3.09Å
6V92.1Very high88.5Confident0 Ų060.7 Ų60.70%030%0.296CS..EExtended strand (participates in β ladder)trans-128.990.5178.9-169.20000108.5L9 F22 F47 A48 I50 L76 Q77 I78V6-L9 HydrophobicContact CB-CD1 4.42Å; V6-L9 HydrophobicContact CG1-CD1 4.11Å; V6-L9 HydrophobicContact CG1-CD2 3.87Å; V6-L9 HydrophobicContact CG1-CG 4.08Å; V6-F22 HydrophobicContact CB-CZ 4.49Å; V6-F22 HydrophobicContact CG1-CE2 4.25Å; V6-F22 HydrophobicContact CG1-CZ 4.08Å; V6-F22 HydrophobicContact CG2-CE1 4.22Å; V6-F22 HydrophobicContact CG2-CE2 4.02Å; V6-F22 HydrophobicContact CG2-CZ 3.52Å; V6-F47 CarbonylContact O-C 3.54Å; V6-F47 VanDerWaalsContact O-CA 3.27Å; V6-F47 WeakPolarHBondContact O-CA 3.35Å; V6-A48 HydrophobicContact CB-CB 4.42Å; V6-A48 PolarHBondContact N-O 2.87Å; V6-A48 PolarHBondContact O-N 2.76Å; V6-I50 HydrophobicContact CG2-CD1 3.76Å; V6-I50 HydrophobicContact CG2-CG1 4.06Å; V6-L76 HydrophobicContact CG1-CD2 3.98Å; V6-L76 HydrophobicContact CG1-CG 4.26Å; V6-Q77 CarbonylContact C-O 3.56Å; V6-Q77 WeakPolarHBondContact CA-O 3.36Å; V6-I78 HydrophobicContact CG1-CG1 4.21Å; V6-I78 HydrophobicContact CG2-CG1 4.41Å
7G91.3Very high88.6Confident0 Ų059.4 Ų59.40%029%0.291CS..EExtended strand (participates in β ladder)trans-85170.2172.700000112.7L9 L76 Q77G7-L9 VanDerWaalsContact C-N 3.34Å; G7-L9 PolarHBondContact O-N 3.37Å; G7-L76 WeakPolarHBondContact O-CA 3.41Å; G7-Q77 PolarHBondContact N-O 3.07Å; G7-Q77 PolarHBondContact O-N 2.89Å
8G88Confident88.7Confident30 Ų3056.1 Ų56.131%0.30928%0.275SS..EExtended strand (participates in β ladder)trans71.826.2175.900000114.5T75G8-T75 WeakPolarHBondContact CA-O 3.39Å
9L90Very high88.9Confident11 Ų1157.9 Ų57.96%0.05828%0.281CS..EExtended strand (participates in β ladder)trans-82.5161.4171-59.3178.6000110.2V6 G7 V13 L18 L33 T46 A48 W71 L76V6-L9 HydrophobicContact CB-CD1 4.42Å; V6-L9 HydrophobicContact CG1-CD1 4.11Å; V6-L9 HydrophobicContact CG1-CD2 3.87Å; V6-L9 HydrophobicContact CG1-CG 4.08Å; G7-L9 VanDerWaalsContact C-N 3.34Å; G7-L9 PolarHBondContact O-N 3.37Å; L9-V13 HydrophobicContact CD2-CG1 4.41Å; L9-L18 HydrophobicContact CD1-CD1 3.94Å; L9-L18 HydrophobicContact CD1-CD2 3.84Å; L9-L18 HydrophobicContact CD1-CG 4.44Å; L9-L18 HydrophobicContact CD2-CD2 3.98Å; L9-L33 HydrophobicContact CD1-CD1 4.21Å; L9-T46 VanDerWaalsContact CB-OG1 3.3Å; L9-T46 WeakPolarHBondContact CB-OG1 3.26Å; L9-T46 PolarHBondContact N-O 2.71Å; L9-T46 PolarHBondContact O-OG1 2.79Å; L9-T46 VanDerWaalsContact O-OG1 3.08Å; L9-A48 HydrophobicContact CD1-CB 3.84Å; L9-W71 HydrophobicContact CD2-CE3 4.27Å; L9-W71 HydrophobicContact CD2-CZ3 4.02Å; L9-L76 HydrophobicContact CD2-CD1 4.34Å; L9-L76 HydrophobicContact CD2-CD2 4.48Å; L9-L76 HydrophobicContact CD2-CG 4.1Å
10N84.8Confident89Confident42 Ų4260 Ų6023%0.22529%0.293CS..  trans-108159.3175.1-55.8-83.7000109.9T12 V13 T46 K72 G74N10-T12 PolarHBondContact O-N 2.67Å; N10-V13 WeakPolarHBondContact O-CB 3.41Å; N10-V13 PolarHBondContact O-N 2.99Å; N10-T46 VanDerWaalsContact C-OG1 3.29Å; N10-T46 PolarHBondContact N-OG1 3.13Å; N10-T46 PolarHBondContact O-OG1 3.4Å; N10-K72 PolarHBondContact ND2-O 3.25Å; N10-K72 VanDerWaalsContact ND2-O 3.15Å; N10-G74 WeakPolarHBondContact ND2-CA 3.46Å; N10-G74 PolarHBondContact ND2-N 2.84Å
11H81.6Confident89Confident127 Ų12758.9 Ų58.959%0.58829%0.286SS*.THydrogen-bonded Turntrans-61.1-9.6176.166.786.9000115.1P43 T46H11-P43 HydrophobicContact CB-CB 3.87Å; H11-P43 HydrophobicContact CB-CG 3.34Å; H11-T46 HydrophobicContact CB-CG2 4.27Å
12T85.8Confident89.4Confident75 Ų7553.3 Ų53.346%0.4626%0.258SS..THydrogen-bonded Turntrans-90.7-4.4174.757.90000114N10N10-T12 PolarHBondContact O-N 2.67Å
13V88.4Confident89.5Confident6 Ų652.2 Ų52.24%0.03626%0.259CS..  trans-86.3124.3179.8177.70000109.9L9 N10 D17 L18 L33 W71 K72L9-V13 HydrophobicContact CD2-CG1 4.41Å; N10-V13 WeakPolarHBondContact O-CB 3.41Å; N10-V13 PolarHBondContact O-N 2.99Å; V13-D17 HydrophobicContact CG1-CB 4.24Å; V13-L18 HydrophobicContact CG1-CD1 4.42Å; V13-L18 HydrophobicContact CG1-CD2 4.04Å; V13-L18 HydrophobicContact CG1-CG 3.87Å; V13-L33 WeakPolarHBondContact O-CD2 3.27Å; V13-W71 HydrophobicContact CB-CZ3 4.47Å; V13-W71 HydrophobicContact CG1-CH2 3.87Å; V13-W71 HydrophobicContact CG1-CZ3 3.58Å; V13-W71 HydrophobicContact CG2-CE3 4.22Å; V13-W71 HydrophobicContact CG2-CZ3 3.97Å; V13-K72 HydrophobicContact CG2-CB 3.89Å; V13-K72 HydrophobicContact CG2-CG 4.2Å
14T89.9Confident89.5Confident66 Ų6656.7 Ų56.741%0.40528%0.28SS..  trans-94.2162175740000112.4K16 D17 L18T14-K16 PolarHBondContact O-N 3.3Å; T14-K16 VanDerWaalsContact O-N 3.14Å; T14-K16 PolarHBondContact OG1-N 3.29Å; T14-D17 WeakPolarHBondContact CB-OD2 3.27Å; T14-D17 PolarHBondContact N-OD2 2.9Å; T14-D17 PolarHBondContact O-N 3Å; T14-D17 VanDerWaalsContact O-N 3.14Å; T14-D17 PolarHBondContact OG1-N 3.33Å; T14-D17 PolarHBondContact OG1-OD2 3.04Å; T14-L18 PolarHBondContact O-N 2.63Å
15Q90.9Very high89.2Confident109 Ų10958.8 Ų58.851%0.50929%0.289SS..Hα-helixtrans-52.3-31.9169.4-162-168.727.700112.5K19 V31Q15-K19 PolarHBondContact O-N 2.59Å; Q15-V31 HydrophobicContact CG-CB 3.65Å; Q15-V31 HydrophobicContact CG-CG1 3.63Å; Q15-V31 PolarHBondContact NE2-O 3.28Å
16K90.5Very high89.1Confident172 Ų17257.5 Ų57.575%0.74829%0.289SS*.Hα-helixtrans-74.4-40.9179.1-60.7178.5-178.3177.10112.3T14 L18 K19 D20T14-K16 PolarHBondContact O-N 3.3Å; T14-K16 VanDerWaalsContact O-N 3.14Å; T14-K16 PolarHBondContact OG1-N 3.29Å; K16-L18 VanDerWaalsContact C-N 3.25Å; K16-L18 PolarHBondContact O-N 2.99Å; K16-K19 PolarHBondContact O-N 3.06Å; K16-D20 PolarHBondContact O-N 3.18Å
17D91.1Very high89Confident39 Ų3963.3 Ų63.321%0.20932%0.315CS..Hα-helixtrans-60.5-38.1173.7-63.9-87.6000111.2V13 T14 R21 W71 K72V13-D17 HydrophobicContact CG1-CB 4.24Å; T14-D17 WeakPolarHBondContact CB-OD2 3.27Å; T14-D17 PolarHBondContact N-OD2 2.9Å; T14-D17 PolarHBondContact O-N 3Å; T14-D17 VanDerWaalsContact O-N 3.14Å; T14-D17 PolarHBondContact OG1-N 3.33Å; T14-D17 PolarHBondContact OG1-OD2 3.04Å; D17-R21 WeakPolarHBondContact O-CB 3.33Å; D17-R21 PolarHBondContact O-N 2.63Å; D17-W71 HydrophobicContact CB-CH2 3.66Å; D17-W71 HydrophobicContact CB-CZ2 3.87Å; D17-K72 WeakPolarHBondContact OD1-CE 3.43Å; D17-K72 IonicContact OD1-NZ 2.69Å; D17-K72 PolarHBondContact OD1-NZ 3.3Å; D17-K72 IonicContact OD2-NZ 2.66Å
18L90.3Very high88.9Confident0 Ų063.6 Ų63.60%032%0.317CS..Hα-helixtrans-67.2-46.1174.5-68.9173.1000111.4L9 V13 T14 K16 R21 F22 V31 L33 A48 I50 W71L9-L18 HydrophobicContact CD1-CD1 3.94Å; L9-L18 HydrophobicContact CD1-CD2 3.84Å; L9-L18 HydrophobicContact CD1-CG 4.44Å; L9-L18 HydrophobicContact CD2-CD2 3.98Å; V13-L18 HydrophobicContact CG1-CD1 4.42Å; V13-L18 HydrophobicContact CG1-CD2 4.04Å; V13-L18 HydrophobicContact CG1-CG 3.87Å; T14-L18 PolarHBondContact O-N 2.63Å; K16-L18 VanDerWaalsContact C-N 3.25Å; K16-L18 PolarHBondContact O-N 2.99Å; L18-R21 PolarHBondContact O-N 2.87Å; L18-F22 HydrophobicContact CD2-CE2 4.24Å; L18-F22 WeakPolarHBondContact O-CD2 3.4Å; L18-F22 PolarHBondContact O-N 2.82Å; L18-V31 HydrophobicContact CB-CG1 4.1Å; L18-V31 HydrophobicContact CD1-CG1 3.81Å; L18-L33 HydrophobicContact CD1-CD1 4.23Å; L18-A48 HydrophobicContact CD1-CB 3.52Å; L18-I50 HydrophobicContact CB-CD1 4.17Å; L18-I50 HydrophobicContact CD2-CD1 4.44Å; L18-W71 HydrophobicContact CD2-CH2 4.21Å; L18-W71 HydrophobicContact CD2-CZ3 3.97Å
19K91.6Very high89Confident91 Ų9166.4 Ų66.440%0.39633%0.325SS..Hα-helixtrans-57-55.8178.1-178.3158.5-179.6160.40111.5Q15 K16 R21 F22 E23 V28Q15-K19 PolarHBondContact O-N 2.59Å; K16-K19 PolarHBondContact O-N 3.06Å; K19-R21 VanDerWaalsContact C-N 3.25Å; K19-R21 PolarHBondContact O-N 2.87Å; K19-F22 PolarHBondContact O-N 2.95Å; K19-E23 VanDerWaalsContact CE-OE2 3.26Å; K19-E23 WeakPolarHBondContact CE-OE2 3.39Å; K19-E23 WeakPolarHBondContact CG-OE2 3.48Å; K19-E23 WeakPolarHBondContact O-CB 3.44Å; K19-E23 PolarHBondContact O-N 2.93Å; K19-V28 HydrophobicContact CD-CB 4.39Å; K19-V28 HydrophobicContact CD-CG1 4.41Å; K19-V28 HydrophobicContact CG-CB 4.13Å; K19-V28 HydrophobicContact CG-CG1 4.27Å; K19-V28 PolarHBondContact NZ-O 2.85Å
20D92Very high88.8Confident98 Ų9869.4 Ų69.452%0.52434%0.341SS..Hα-helixtrans-53.9-40.6178.4167.476.4000112.8K16 K24K16-D20 PolarHBondContact O-N 3.18Å; D20-K24 PolarHBondContact O-NZ 3.37Å; D20-K24 IonicContact OD1-NZ 3.55Å; D20-K24 PolarHBondContact OD1-NZ 3.03Å; D20-K24 IonicContact OD2-NZ 3.84Å; D20-K24 PolarHBondContact OD2-NZ 3.03Å
21R88.4Confident89.1Confident38 Ų3867.8 Ų67.814%0.14333%0.332CS..Hα-helixtrans-75.8-30.3-174.8-164.5162.9-174.6-130.1-3.9113.5D17 L18 K19 L66 S69 W71D17-R21 WeakPolarHBondContact O-CB 3.33Å; D17-R21 PolarHBondContact O-N 2.63Å; L18-R21 PolarHBondContact O-N 2.87Å; K19-R21 VanDerWaalsContact C-N 3.25Å; K19-R21 PolarHBondContact O-N 2.87Å; R21-L66 HydrophobicContact CG-CD1 4.44Å; R21-L66 HydrophobicContact CG-CD2 4.35Å; R21-S69 PolarHBondContact NH2-OG 2.81Å; R21-W71 HydrophobicContact CB-CH2 4.49Å; R21-W71 HydrophobicContact CB-CZ2 4.28Å; R21-W71 VanDerWaalsContact CD-CE2 3.43Å; R21-W71 VanDerWaalsContact CD-CZ2 3.49Å; R21-W71 VanDerWaalsContact NH1-CB 3.25Å; R21-W71 VanDerWaalsContact NH1-CD2 3.28Å
22F90.1Very high89.4Confident0 Ų064.4 Ų64.40%032%0.317CS..Hα-helixtrans-93.4-24.6177.7-78.2-93.4000113.5L4 V6 L18 K19 K24 F25 G26 V28 I50 I52 L66 I78L4-F22 HydrophobicContact CD1-CD1 4.27Å; L4-F22 HydrophobicContact CD1-CE1 4.1Å; V6-F22 HydrophobicContact CB-CZ 4.49Å; V6-F22 HydrophobicContact CG1-CE2 4.25Å; V6-F22 HydrophobicContact CG1-CZ 4.08Å; V6-F22 HydrophobicContact CG2-CE1 4.22Å; V6-F22 HydrophobicContact CG2-CE2 4.02Å; V6-F22 HydrophobicContact CG2-CZ 3.52Å; L18-F22 HydrophobicContact CD2-CE2 4.24Å; L18-F22 WeakPolarHBondContact O-CD2 3.4Å; L18-F22 PolarHBondContact O-N 2.82Å; K19-F22 PolarHBondContact O-N 2.95Å; F22-K24 PolarHBondContact O-N 3.02Å; F22-K24 VanDerWaalsContact O-N 3.14Å; F22-F25 PolarHBondContact O-N 2.7Å; F22-G26 PolarHBondContact O-N 3.17Å; F22-V28 HydrophobicContact CB-CG2 3.89Å; F22-I50 HydrophobicContact CB-CD1 4.4Å; F22-I50 HydrophobicContact CD1-CD1 4.2Å; F22-I50 HydrophobicContact CD2-CD1 3.39Å; F22-I50 HydrophobicContact CE1-CD1 4.33Å; F22-I50 HydrophobicContact CE2-CD1 3.55Å; F22-I50 HydrophobicContact CG-CD1 3.74Å; F22-I50 HydrophobicContact CZ-CD1 4.02Å; F22-I52 HydrophobicContact CB-CD1 4.04Å; F22-I52 WeakPolarHBondContact O-CD1 3.45Å; F22-L66 HydrophobicContact CD1-CD1 4.33Å; F22-L66 HydrophobicContact CE1-CD1 4.04Å; F22-L66 HydrophobicContact CE2-CD1 4.38Å; F22-L66 HydrophobicContact CZ-CD1 4.07Å; F22-I78 HydrophobicContact CE1-CD1 3.91Å; F22-I78 HydrophobicContact CE1-CG1 4.48Å; F22-I78 HydrophobicContact CE1-CG2 4.5Å; F22-I78 HydrophobicContact CZ-CD1 3.56Å; F22-I78 HydrophobicContact CZ-CG1 4.05Å
23E89.8Confident89.7Confident111 Ų11163.5 Ų63.552%0.51931%0.309SS..Hα-helixtrans-57.4-27174.1-173.5165.5157.600112.6K19 F25 G26K19-E23 VanDerWaalsContact CE-OE2 3.26Å; K19-E23 WeakPolarHBondContact CE-OE2 3.39Å; K19-E23 WeakPolarHBondContact CG-OE2 3.48Å; K19-E23 WeakPolarHBondContact O-CB 3.44Å; K19-E23 PolarHBondContact O-N 2.93Å; E23-F25 PolarHBondContact O-N 3.48Å; E23-F25 VanDerWaalsContact O-N 3.17Å; E23-G26 WeakPolarHBondContact CA-O 3.46Å; E23-G26 PolarHBondContact O-N 2.92Å
24K88.6Confident89.5Confident133 Ų13370 Ų7058%0.57833%0.333SS*.THydrogen-bonded Turntrans-63.3-13.6171.9-66.1173.1179.268.70114.5D20 F22D20-K24 PolarHBondContact O-NZ 3.37Å; D20-K24 IonicContact OD1-NZ 3.55Å; D20-K24 PolarHBondContact OD1-NZ 3.03Å; D20-K24 IonicContact OD2-NZ 3.84Å; D20-K24 PolarHBondContact OD2-NZ 3.03Å; F22-K24 PolarHBondContact O-N 3.02Å; F22-K24 VanDerWaalsContact O-N 3.14Å
25F86.9Confident89.4Confident45 Ų4570 Ų7020%0.19733%0.333CS..THydrogen-bonded Turntrans-115.8-22.3179-61.6-86.6000113.3F22 E23 I54 K61 C62 V65 L66F22-F25 PolarHBondContact O-N 2.7Å; E23-F25 PolarHBondContact O-N 3.48Å; E23-F25 VanDerWaalsContact O-N 3.17Å; F25-I54 WeakPolarHBondContact O-CG2 3.4Å; F25-K61 HydrophobicContact CE1-CB 4.43Å; F25-C62 HydrophobicContact CB-CB 4.04Å; F25-C62 HydrophobicContact CD1-CB 3.63Å; F25-C62 HydrophobicContact CD2-CB 4.27Å; F25-C62 HydrophobicContact CE1-CB 4.14Å; F25-C62 HydrophobicContact CG-CB 3.7Å; F25-V65 HydrophobicContact CE1-CB 4.4Å; F25-V65 HydrophobicContact CZ-CB 4.12Å; F25-V65 HydrophobicContact CZ-CG1 4.04Å; F25-L66 HydrophobicContact CD2-CD1 4.16Å; F25-L66 HydrophobicContact CE2-CD1 3.63Å; F25-L66 HydrophobicContact CE2-CD2 4.29Å; F25-L66 HydrophobicContact CE2-CG 3.86Å; F25-L66 HydrophobicContact CZ-CD1 4.35Å; F25-L66 HydrophobicContact CZ-CG 4.1Å
26G88.5Confident89Confident15 Ų1572.3 Ų72.316%0.15534%0.337CS..SBendtrans175168.4177.200000112.6F22 E23 V28 I52F22-G26 PolarHBondContact O-N 3.17Å; E23-G26 WeakPolarHBondContact CA-O 3.46Å; E23-G26 PolarHBondContact O-N 2.92Å; G26-V28 PolarHBondContact O-N 3.39Å; G26-I52 WeakPolarHBondContact O-CD1 3.31Å
27E89.7Confident88.6Confident121 Ų12170.3 Ų70.357%0.56533%0.328SS*.EExtended strand (participates in β ladder)trans-67.7115.4-177.2173.2-166.2-127.800111.4L29 I52 N53E27-L29 HydrophobicContact CG-CD2 4.47Å; E27-L29 PolarHBondContact O-N 2.93Å; E27-I52 WeakPolarHBondContact O-CA 3.43Å; E27-I52 WeakPolarHBondContact O-CG1 3.41Å; E27-N53 HydrophobicContact CB-CB 4.21Å; E27-N53 PolarHBondContact N-O 3.04Å; E27-N53 PolarHBondContact O-N 2.81Å; E27-N53 PolarHBondContact OE2-ND2 2.86Å
28V90.6Very high88.2Confident6 Ų671.6 Ų71.64%0.03634%0.335CS..EExtended strand (participates in β ladder)trans-82.2112177.3177.30000110K19 F22 G26 V31 I50 I52K19-V28 HydrophobicContact CD-CB 4.39Å; K19-V28 HydrophobicContact CD-CG1 4.41Å; K19-V28 HydrophobicContact CG-CB 4.13Å; K19-V28 HydrophobicContact CG-CG1 4.27Å; K19-V28 PolarHBondContact NZ-O 2.85Å; F22-V28 HydrophobicContact CB-CG2 3.89Å; G26-V28 PolarHBondContact O-N 3.39Å; V28-V31 HydrophobicContact CG1-CG2 3.39Å; V28-I50 HydrophobicContact CG1-CG2 4.1Å; V28-I50 HydrophobicContact CG2-CG2 4.39Å; V28-I52 HydrophobicContact CG2-CD1 3.72Å; V28-I52 HydrophobicContact CG2-CG1 4.06Å
29L88.9Confident87.3Confident90 Ų9081 Ų8147%0.47138%0.379SS..EExtended strand (participates in β ladder)trans-80.4-47.1177.9-62174.3000111.5M1 E27 N51M1-L29 HydrophobicContact CE-CD1 4.03Å; M1-L29 HydrophobicContact CG-CD1 4.05Å; M1-L29 HydrophobicContact SD-CD1 4.04Å; E27-L29 HydrophobicContact CG-CD2 4.47Å; E27-L29 PolarHBondContact O-N 2.93Å; L29-N51 WeakPolarHBondContact CB-O 3.47Å; L29-N51 PolarHBondContact N-O 2.92Å
30D87Confident86.4Confident74 Ų7484 Ų8440%0.39640%0.395SS..EExtended strand (participates in β ladder)trans-152151.7-173.2159.856.2000111.4N51D30-N51 HydrophobicContact CB-CB 3.98Å; D30-N51 PolarHBondContact N-O 3.25Å; D30-N51 PolarHBondContact O-N 2.88Å; D30-N51 PolarHBondContact OD2-ND2 3.36Å
31V89.8Confident85.4Confident7 Ų781.1 Ų81.14%0.04239%0.388CS..EExtended strand (participates in β ladder)trans-144100.2-175.5179.80000109.2Q15 L18 V28 L33 Y49 I50Q15-V31 HydrophobicContact CG-CB 3.65Å; Q15-V31 HydrophobicContact CG-CG1 3.63Å; Q15-V31 PolarHBondContact NE2-O 3.28Å; L18-V31 HydrophobicContact CB-CG1 4.1Å; L18-V31 HydrophobicContact CD1-CG1 3.81Å; V28-V31 HydrophobicContact CG1-CG2 3.39Å; V31-L33 PolarHBondContact O-N 3.38Å; V31-Y49 CarbonylContact C-O 3.5Å; V31-Y49 WeakPolarHBondContact CA-O 3.15Å; V31-I50 HydrophobicContact CG1-CG1 4.23Å; V31-I50 HydrophobicContact CG2-CG1 4.33Å; V31-I50 HydrophobicContact CG2-CG2 4.32Å
32E89.6Confident84.7Confident57 Ų5784.5 Ų84.527%0.26641%0.408SS..EExtended strand (participates in β ladder)trans-86.6102.1172.5-174.1-165.9170.900109.2R3 R34 A48 Y49R3-E32 IonicContact NH2-OE2 2.72Å; R3-E32 PolarHBondContact NH2-OE2 2.86Å; E32-R34 IonicContact OE1-CZ 2.72Å; E32-R34 IonicContact OE1-NH1 3.99Å; E32-R34 PolarHBondContact OE1-NH1 3.07Å; E32-A48 CarbonylContact O-C 3.55Å; E32-A48 WeakPolarHBondContact O-CA 3.39Å; E32-Y49 PolarHBondContact N-O 3.33Å; E32-Y49 PolarHBondContact O-N 3.33Å
33L90.2Very high84Confident56 Ų5686.3 Ų86.329%0.29342%0.419SS..EExtended strand (participates in β ladder)trans-89.1121.1173.2179.163.5000110.1L9 V13 L18 V31 A48L9-L33 HydrophobicContact CD1-CD1 4.21Å; V13-L33 WeakPolarHBondContact O-CD2 3.27Å; L18-L33 HydrophobicContact CD1-CD1 4.23Å; V31-L33 PolarHBondContact O-N 3.38Å; L33-A48 HydrophobicContact CD1-CB 4.12Å
34R86.1Confident83.4Confident141 Ų14186.2 Ų86.253%0.53242%0.415SS..EExtended strand (participates in β ladder)trans-115.6122-179.2-146.882.3-178.4-153.55.6110E32 T46 F47E32-R34 IonicContact OE1-CZ 2.72Å; E32-R34 IonicContact OE1-NH1 3.99Å; E32-R34 PolarHBondContact OE1-NH1 3.07Å; R34-T46 WeakPolarHBondContact O-CA 3.3Å; R34-F47 HydrophobicContact CB-CD2 3.91Å; R34-F47 HydrophobicContact CB-CE1 4.2Å; R34-F47 HydrophobicContact CB-CE2 3.54Å; R34-F47 HydrophobicContact CB-CG 4.41Å; R34-F47 HydrophobicContact CB-CZ 3.71Å; R34-F47 HydrophobicContact CG-CE1 4.44Å; R34-F47 HydrophobicContact CG-CE2 3.93Å; R34-F47 HydrophobicContact CG-CZ 3.75Å; R34-F47 PolarHBondContact N-O 2.73Å; R34-F47 PolarHBondContact O-N 3.02Å
35T85.8Confident83.1Confident67 Ų6785.1 Ų85.141%0.41141%0.41SS..EExtended strand (participates in β ladder)trans-110.6114.9175.162.90000109.4T46T35-T46 HydrophobicContact CG2-CG2 3.59Å
36R82.6Confident83.2Confident157 Ų15783.2 Ų83.259%0.59240%0.402SS*.EExtended strand (participates in β ladder)trans-81.4131165.8-160.5170.6-176.1-155.411.2107.7P43 Y44 K45R36-P43 WeakPolarHBondContact O-CA 3.39Å; R36-Y44 HydrophobicContact CB-CE1 4.06Å; R36-Y44 WeakPolarHBondContact CD-OH 3.37Å; R36-Y44 HydrophobicContact CG-CE1 3.74Å; R36-Y44 VanDerWaalsContact CZ-OH 3.25Å; R36-Y44 PolarHBondContact NE-OH 3Å; R36-Y44 PolarHBondContact NH1-OH 3.14Å; R36-Y44 PolarHBondContact O-N 3.33Å; R36-K45 PolarHBondContact N-O 3.45Å
37K83.9Confident83.3Confident131 Ų13184.3 Ų84.357%0.5740%0.403SS*.  trans-112.3152.9175.6-62.1177.3178.1-175.50108.7G41 I42 P43K37-G41 WeakPolarHBondContact CD-O 3.48Å; K37-I42 CarbonylContact C-O 3.56Å; K37-I42 VanDerWaalsContact CA-O 3.27Å; K37-I42 WeakPolarHBondContact CA-O 3.45Å; K37-P43 HydrophobicContact CG-CB 4.28Å
38D82.3Confident83.3Confident65 Ų6578.6 Ų78.635%0.34838%0.376SS..  trans-83.6179.6165.5-57.7-55.5000110.5E40 G41 I42 Y44D38-E40 VanDerWaalsContact C-N 3.3Å; D38-E40 PolarHBondContact O-N 3.42Å; D38-G41 WeakPolarHBondContact O-CA 3.37Å; D38-G41 PolarHBondContact O-N 3.26Å; D38-I42 PolarHBondContact N-O 3.4Å; D38-Y44 WeakPolarHBondContact OD1-CD1 3.26Å; D38-Y44 WeakPolarHBondContact OD1-CE1 3.28Å; D38-Y44 WeakPolarHBondContact OD2-CB 3.28Å; D38-Y44 WeakPolarHBondContact OD2-CD1 3.3Å
39E71.8Confident83.4Confident198 Ų19881.3 Ų81.393%0.92539%0.386SS*.THydrogen-bonded Turntrans-68.1-30.1-173.9-62.3-177.8177.200111.9G41E39-G41 PolarHBondContact O-N 3.49Å
40E71.4Confident83.6Confident154 Ų15477 Ų7772%0.7236%0.364SS*.THydrogen-bonded Turntrans-75.16.4169.3-52.778.5-174.900113D38 I42D38-E40 VanDerWaalsContact C-N 3.3Å; D38-E40 PolarHBondContact O-N 3.42Å; E40-I42 HydrophobicContact CB-CD1 4.5Å; E40-I42 HydrophobicContact CB-CG1 4.37Å; E40-I42 PolarHBondContact O-N 3.01Å
41G71.2Confident83.8Confident37 Ų3774.2 Ų74.238%0.38135%0.349SS..  trans76.91.4177.600000115.3K37 D38 E39K37-G41 WeakPolarHBondContact CD-O 3.48Å; D38-G41 WeakPolarHBondContact O-CA 3.37Å; D38-G41 PolarHBondContact O-N 3.26Å; E39-G41 PolarHBondContact O-N 3.49Å
42I73.9Confident83.8Confident109 Ų10973.9 Ų73.956%0.55935%0.347SS*.  trans-72.5126.8-177.7-58.8179.6000110.1K37 D38 E40 Y44K37-I42 CarbonylContact C-O 3.56Å; K37-I42 VanDerWaalsContact CA-O 3.27Å; K37-I42 WeakPolarHBondContact CA-O 3.45Å; D38-I42 PolarHBondContact N-O 3.4Å; E40-I42 HydrophobicContact CB-CD1 4.5Å; E40-I42 HydrophobicContact CB-CG1 4.37Å; E40-I42 PolarHBondContact O-N 3.01Å; I42-Y44 PolarHBondContact O-N 3.41Å; I42-Y44 VanDerWaalsContact O-N 3.13Å
43P75.8Confident83.9Confident38 Ų3874.1 Ų74.125%0.24735%0.35CS..  trans-84.779.4-176.633.1-36.6000113.2H11 R36 K37 K45 T46H11-P43 HydrophobicContact CB-CB 3.87Å; H11-P43 HydrophobicContact CB-CG 3.34Å; R36-P43 WeakPolarHBondContact O-CA 3.39Å; K37-P43 HydrophobicContact CG-CB 4.28Å; P43-K45 PolarHBondContact O-N 3.01Å; P43-T46 HydrophobicContact CB-CG2 4.49Å
44Y76.8Confident83.8Confident110 Ų11072.2 Ų72.243%0.43134%0.34SS..  trans-66.1-32.4-17872.6-80.6000115.7R36 D38 I42R36-Y44 HydrophobicContact CB-CE1 4.06Å; R36-Y44 WeakPolarHBondContact CD-OH 3.37Å; R36-Y44 HydrophobicContact CG-CE1 3.74Å; R36-Y44 VanDerWaalsContact CZ-OH 3.25Å; R36-Y44 PolarHBondContact NE-OH 3Å; R36-Y44 PolarHBondContact NH1-OH 3.14Å; R36-Y44 PolarHBondContact O-N 3.33Å; D38-Y44 WeakPolarHBondContact OD1-CD1 3.26Å; D38-Y44 WeakPolarHBondContact OD1-CE1 3.28Å; D38-Y44 WeakPolarHBondContact OD2-CB 3.28Å; D38-Y44 WeakPolarHBondContact OD2-CD1 3.3Å; I42-Y44 PolarHBondContact O-N 3.41Å; I42-Y44 VanDerWaalsContact O-N 3.13Å
45K83.1Confident84Confident110 Ų11068.1 Ų68.148%0.47833%0.333SS..EExtended strand (participates in β ladder)trans-136.7111.2-175.4-172.8172.5-177.1176.40111.4R36 P43R36-K45 PolarHBondContact N-O 3.45Å; P43-K45 PolarHBondContact O-N 3.01Å
46T87.4Confident84.1Confident4 Ų470.2 Ų70.23%0.02534%0.338CS..EExtended strand (participates in β ladder)trans-111.8140.1172.480.40000111.2L9 N10 H11 R34 T35 P43L9-T46 VanDerWaalsContact CB-OG1 3.3Å; L9-T46 WeakPolarHBondContact CB-OG1 3.26Å; L9-T46 PolarHBondContact N-O 2.71Å; L9-T46 PolarHBondContact O-OG1 2.79Å; L9-T46 VanDerWaalsContact O-OG1 3.08Å; N10-T46 VanDerWaalsContact C-OG1 3.29Å; N10-T46 PolarHBondContact N-OG1 3.13Å; N10-T46 PolarHBondContact O-OG1 3.4Å; H11-T46 HydrophobicContact CB-CG2 4.27Å; R34-T46 WeakPolarHBondContact O-CA 3.3Å; T35-T46 HydrophobicContact CG2-CG2 3.59Å; P43-T46 HydrophobicContact CB-CG2 4.49Å
47F91.3Very high84.5Confident39 Ų3965.5 Ų65.517%0.17133%0.332CS..EExtended strand (participates in β ladder)trans-147.8156.7-179.658.2-87.9000109.4Y5 V6 R34 Y49Y5-F47 HydrophobicContact CD2-CD2 4.44Å; Y5-F47 HydrophobicContact CE2-CB 3.66Å; Y5-F47 AromaticContact CE2-CD2 3.74Å; Y5-F47 HydrophobicContact CE2-CD2 3.74Å; Y5-F47 AromaticContact CE2-CG 3.93Å; Y5-F47 HydrophobicContact CE2-CG 3.93Å; V6-F47 CarbonylContact O-C 3.54Å; V6-F47 VanDerWaalsContact O-CA 3.27Å; V6-F47 WeakPolarHBondContact O-CA 3.35Å; R34-F47 HydrophobicContact CB-CD2 3.91Å; R34-F47 HydrophobicContact CB-CE1 4.2Å; R34-F47 HydrophobicContact CB-CE2 3.54Å; R34-F47 HydrophobicContact CB-CG 4.41Å; R34-F47 HydrophobicContact CB-CZ 3.71Å; R34-F47 HydrophobicContact CG-CE1 4.44Å; R34-F47 HydrophobicContact CG-CE2 3.93Å; R34-F47 HydrophobicContact CG-CZ 3.75Å; R34-F47 PolarHBondContact N-O 2.73Å; R34-F47 PolarHBondContact O-N 3.02Å; F47-Y49 HydrophobicContact CD2-CE2 4.24Å; F47-Y49 AromaticContact CE2-CE2 3.98Å; F47-Y49 HydrophobicContact CE2-CE2 3.98Å
48A91.1Very high84.7Confident0 Ų061.8 Ų61.80%032%0.319CS..EExtended strand (participates in β ladder)trans-131.6152.1178.100000112.2V6 L9 L18 E32 L33V6-A48 HydrophobicContact CB-CB 4.42Å; V6-A48 PolarHBondContact N-O 2.87Å; V6-A48 PolarHBondContact O-N 2.76Å; L9-A48 HydrophobicContact CD1-CB 3.84Å; L18-A48 HydrophobicContact CD1-CB 3.52Å; E32-A48 CarbonylContact O-C 3.55Å; E32-A48 WeakPolarHBondContact O-CA 3.39Å; L33-A48 HydrophobicContact CD1-CB 4.12Å
49Y92.4Very high85.1Confident63 Ų6359.5 Ų59.525%0.24731%0.306CS..EExtended strand (participates in β ladder)trans-107.3128.9162.1-62.1-74.3000109.5L4 Y5 V31 E32 F47 A81L4-Y49 CarbonylContact O-C 3.44Å; L4-Y49 VanDerWaalsContact O-CA 3.27Å; L4-Y49 WeakPolarHBondContact O-CA 3.41Å; Y5-Y49 HydrophobicContact CD2-CD1 4.14Å; Y5-Y49 AromaticContact CD2-CE1 3.61Å; Y5-Y49 HydrophobicContact CD2-CE1 3.61Å; Y5-Y49 HydrophobicContact CG-CE1 4.28Å; V31-Y49 CarbonylContact C-O 3.5Å; V31-Y49 WeakPolarHBondContact CA-O 3.15Å; E32-Y49 PolarHBondContact N-O 3.33Å; E32-Y49 PolarHBondContact O-N 3.33Å; F47-Y49 HydrophobicContact CD2-CE2 4.24Å; F47-Y49 AromaticContact CE2-CE2 3.98Å; F47-Y49 HydrophobicContact CE2-CE2 3.98Å; Y49-A81 HydrophobicContact CD1-CB 3.89Å; Y49-A81 HydrophobicContact CE1-CB 4.13Å
50I91.4Very high86Confident0 Ų055.8 Ų55.80%029%0.287CS..EExtended strand (participates in β ladder)trans-117.9119.2-177.6-59.2-174.3000109.2R3 L4 V6 L18 F22 V28 V31 I52R3-I50 CarbonylContact C-O 3.58Å; R3-I50 WeakPolarHBondContact CA-O 3.33Å; L4-I50 PolarHBondContact N-O 2.7Å; L4-I50 PolarHBondContact O-N 3.27Å; V6-I50 HydrophobicContact CG2-CD1 3.76Å; V6-I50 HydrophobicContact CG2-CG1 4.06Å; L18-I50 HydrophobicContact CB-CD1 4.17Å; L18-I50 HydrophobicContact CD2-CD1 4.44Å; F22-I50 HydrophobicContact CB-CD1 4.4Å; F22-I50 HydrophobicContact CD1-CD1 4.2Å; F22-I50 HydrophobicContact CD2-CD1 3.39Å; F22-I50 HydrophobicContact CE1-CD1 4.33Å; F22-I50 HydrophobicContact CE2-CD1 3.55Å; F22-I50 HydrophobicContact CG-CD1 3.74Å; F22-I50 HydrophobicContact CZ-CD1 4.02Å; V28-I50 HydrophobicContact CG1-CG2 4.1Å; V28-I50 HydrophobicContact CG2-CG2 4.39Å; V31-I50 HydrophobicContact CG1-CG1 4.23Å; V31-I50 HydrophobicContact CG2-CG1 4.33Å; V31-I50 HydrophobicContact CG2-CG2 4.32Å; I50-I52 HydrophobicContact CG2-CB 4.05Å; I50-I52 HydrophobicContact CG2-CG2 4.13Å
51N91.4Very high86.9Confident16 Ų1653.8 Ų53.89%0.08628%0.276CS..EExtended strand (participates in β ladder)trans-92.7111.9173.7-79.9-46.9000108.7M1 R3 L29 D30M1-N51 HydrophobicContact CE-CB 3.76Å; R3-N51 WeakPolarHBondContact CB-OD1 3.39Å; R3-N51 VanDerWaalsContact CG-OD1 3.27Å; R3-N51 WeakPolarHBondContact CG-OD1 3.45Å; L29-N51 WeakPolarHBondContact CB-O 3.47Å; L29-N51 PolarHBondContact N-O 2.92Å; D30-N51 HydrophobicContact CB-CB 3.98Å; D30-N51 PolarHBondContact N-O 3.25Å; D30-N51 PolarHBondContact O-N 2.88Å; D30-N51 PolarHBondContact OD2-ND2 3.36Å
52I90.8Very high87.7Confident0 Ų052 Ų520%026%0.258CS..EExtended strand (participates in β ladder)trans-142.1141.9-165.7-175.5173.7000112.7M1 R2 L4 F22 G26 E27 V28 I50 I54M1-I52 CarbonylContact C-O 3.55Å; M1-I52 VanDerWaalsContact CA-O 3.32Å; M1-I52 WeakPolarHBondContact CA-O 3.5Å; R2-I52 PolarHBondContact N-O 3.34Å; R2-I52 PolarHBondContact O-N 3.23Å; L4-I52 HydrophobicContact CD1-CG2 3.91Å; L4-I52 HydrophobicContact CG-CG2 4Å; F22-I52 HydrophobicContact CB-CD1 4.04Å; F22-I52 WeakPolarHBondContact O-CD1 3.45Å; G26-I52 WeakPolarHBondContact O-CD1 3.31Å; E27-I52 WeakPolarHBondContact O-CA 3.43Å; E27-I52 WeakPolarHBondContact O-CG1 3.41Å; V28-I52 HydrophobicContact CG2-CD1 3.72Å; V28-I52 HydrophobicContact CG2-CG1 4.06Å; I50-I52 HydrophobicContact CG2-CB 4.05Å; I50-I52 HydrophobicContact CG2-CG2 4.13Å; I52-I54 HydrophobicContact CB-CG1 4.15Å; I52-I54 HydrophobicContact CD1-CD1 3.69Å; I52-I54 HydrophobicContact CD1-CG1 3.6Å; I52-I54 HydrophobicContact CG1-CD1 4.07Å; I52-I54 HydrophobicContact CG1-CG1 3.5Å; I52-I54 HydrophobicContact CG2-CD1 3.77Å; I52-I54 HydrophobicContact CG2-CG1 3.78Å; I52-I54 PolarHBondContact O-N 2.84Å
53N90.6Very high88.5Confident61 Ų6149.5 Ų49.533%0.32624%0.244SC..EExtended strand (participates in β ladder)trans-89.781.2175.8-77.8-29000110.7M1 E27M1-N53 WeakPolarHBondContact CA-OD1 3.27Å; M1-N53 PolarHBondContact N-OD1 2.78Å; E27-N53 HydrophobicContact CB-CB 4.21Å; E27-N53 PolarHBondContact N-O 3.04Å; E27-N53 PolarHBondContact O-N 2.81Å; E27-N53 PolarHBondContact OE2-ND2 2.86Å
54I88.2Confident89.1Confident17 Ų1753.3 Ų53.39%0.08727%0.267CS..  trans-109.2146.8173.7-36.2179.9000111L4 F25 I52 D58 L59L4-I54 HydrophobicContact CD1-CD1 3.98Å; F25-I54 WeakPolarHBondContact O-CG2 3.4Å; I52-I54 HydrophobicContact CB-CG1 4.15Å; I52-I54 HydrophobicContact CD1-CD1 3.69Å; I52-I54 HydrophobicContact CD1-CG1 3.6Å; I52-I54 HydrophobicContact CG1-CD1 4.07Å; I52-I54 HydrophobicContact CG1-CG1 3.5Å; I52-I54 HydrophobicContact CG2-CD1 3.77Å; I52-I54 HydrophobicContact CG2-CG1 3.78Å; I52-I54 PolarHBondContact O-N 2.84Å; I54-D58 VanDerWaalsContact CG2-C 3.41Å; I54-D58 HydrophobicContact CG2-CB 3.5Å; I54-D58 VanDerWaalsContact CG2-CB 3.5Å; I54-L59 HydrophobicContact CB-CB 4.42Å; I54-L59 HydrophobicContact CD1-CD1 4.29Å; I54-L59 HydrophobicContact CG2-CB 4.17Å
55S90.8Very high89.8Confident55 Ų5552.4 Ų52.439%0.38527%0.273SS..  trans-68.4163.9162.390.60000111.3A57 D58 L59S55-A57 VanDerWaalsContact C-N 3.28Å; S55-A57 PolarHBondContact O-N 3.22Å; S55-A57 PolarHBondContact OG-N 3.02Å; S55-D58 WeakPolarHBondContact CB-OD2 3.42Å; S55-D58 PolarHBondContact O-N 3.06Å; S55-D58 PolarHBondContact OG-N 3.39Å; S55-D58 PolarHBondContact OG-OD2 3.15Å; S55-L59 VanDerWaalsContact O-CB 3.25Å; S55-L59 WeakPolarHBondContact O-CB 3.43Å; S55-L59 PolarHBondContact O-N 2.83Å
56E88.7Confident90.1Very high111 Ų11147.6 Ų47.652%0.51925%0.252SS..Hα-helixtrans-67.8-30.1175.4-161.3-174.212200112.6K60E56-K60 WeakPolarHBondContact O-CG 3.41Å; E56-K60 PolarHBondContact O-N 2.88Å; E56-K60 VanDerWaalsContact O-N 3.14Å; E56-K60 VanDerWaalsContact OE1-CE 3.31Å; E56-K60 WeakPolarHBondContact OE1-CE 3.29Å; E56-K60 IonicContact OE1-NZ 3.57Å; E56-K60 PolarHBondContact OE1-NZ 2.75Å
57A89.4Confident90.3Very high57 Ų5749.7 Ų49.747%0.47126%0.263SS..Hα-helixtrans-70.2-44.2177.100000111.5S55 L59 K60 K61S55-A57 VanDerWaalsContact C-N 3.28Å; S55-A57 PolarHBondContact O-N 3.22Å; S55-A57 PolarHBondContact OG-N 3.02Å; A57-L59 VanDerWaalsContact C-N 3.35Å; A57-K60 PolarHBondContact O-N 3.26Å; A57-K61 WeakPolarHBondContact O-CG 3.14Å; A57-K61 PolarHBondContact O-N 3.26Å; A57-K61 VanDerWaalsContact O-N 3.1Å
58D88.6Confident90.1Very high53 Ų5356 Ų5628%0.28329%0.291SS..Hα-helixtrans-77.2-24.3-179.3-54.2-60.8000111.8I54 S55 K61 C62I54-D58 VanDerWaalsContact CG2-C 3.41Å; I54-D58 HydrophobicContact CG2-CB 3.5Å; I54-D58 VanDerWaalsContact CG2-CB 3.5Å; S55-D58 WeakPolarHBondContact CB-OD2 3.42Å; S55-D58 PolarHBondContact O-N 3.06Å; S55-D58 PolarHBondContact OG-N 3.39Å; S55-D58 PolarHBondContact OG-OD2 3.15Å; D58-K61 PolarHBondContact O-N 2.82Å; D58-K61 WeakPolarHBondContact OD1-CD 3.44Å; D58-K61 WeakPolarHBondContact OD1-CE 3.14Å; D58-K61 IonicContact OD1-NZ 3.49Å; D58-K61 PolarHBondContact OD1-NZ 2.76Å; D58-C62 WeakPolarHBondContact O-CB 3.45Å; D58-C62 PolarHBondContact O-N 3.26Å
59L90.3Very high90Very high17 Ų1757.2 Ų57.29%0.08930%0.299CS..Hα-helixtrans-64-45.9167172.956.9000110.7R2 L4 I54 S55 A57 K61 C62 M63R2-L59 HydrophobicContact CG-CD2 4.38Å; L4-L59 HydrophobicContact CD1-CD1 4.13Å; L4-L59 HydrophobicContact CD2-CD1 3.52Å; L4-L59 HydrophobicContact CG-CD1 4.47Å; I54-L59 HydrophobicContact CB-CB 4.42Å; I54-L59 HydrophobicContact CD1-CD1 4.29Å; I54-L59 HydrophobicContact CG2-CB 4.17Å; S55-L59 VanDerWaalsContact O-CB 3.25Å; S55-L59 WeakPolarHBondContact O-CB 3.43Å; S55-L59 PolarHBondContact O-N 2.83Å; A57-L59 VanDerWaalsContact C-N 3.35Å; L59-K61 VanDerWaalsContact C-N 3.31Å; L59-K61 PolarHBondContact O-N 2.92Å; L59-C62 WeakPolarHBondContact O-CB 3.47Å; L59-C62 PolarHBondContact O-N 3.41Å; L59-C62 VanDerWaalsContact O-N 3.15Å; L59-M63 HydrophobicContact CD1-CG 4.07Å; L59-M63 HydrophobicContact CD1-SD 4.05Å; L59-M63 HydrophobicContact CG-SD 4.23Å; L59-M63 WeakPolarHBondContact O-CG 3.35Å; L59-M63 PolarHBondContact O-N 3.15Å
60K90.6Very high89.8Confident120 Ų12062.9 Ų62.952%0.52233%0.325SS..Hα-helixtrans-60.8-40.4175.7-72.1167.9-172.9170.70111.4E56 A57 M63 T64E56-K60 WeakPolarHBondContact O-CG 3.41Å; E56-K60 PolarHBondContact O-N 2.88Å; E56-K60 VanDerWaalsContact O-N 3.14Å; E56-K60 VanDerWaalsContact OE1-CE 3.31Å; E56-K60 WeakPolarHBondContact OE1-CE 3.29Å; E56-K60 IonicContact OE1-NZ 3.57Å; E56-K60 PolarHBondContact OE1-NZ 2.75Å; A57-K60 PolarHBondContact O-N 3.26Å; K60-M63 PolarHBondContact O-N 3.3Å; K60-T64 WeakPolarHBondContact O-CG2 3.34Å; K60-T64 PolarHBondContact O-N 3.1Å; K60-T64 PolarHBondContact O-OG1 3.1Å
61K90.8Very high89.6Confident112 Ų11265.4 Ų65.449%0.48733%0.334SS..Hα-helixtrans-61.8-45.3171.2-62.8171.4-162167.70112.4F25 A57 D58 L59 M63 T64 V65F25-K61 HydrophobicContact CE1-CB 4.43Å; A57-K61 WeakPolarHBondContact O-CG 3.14Å; A57-K61 PolarHBondContact O-N 3.26Å; A57-K61 VanDerWaalsContact O-N 3.1Å; D58-K61 PolarHBondContact O-N 2.82Å; D58-K61 WeakPolarHBondContact OD1-CD 3.44Å; D58-K61 WeakPolarHBondContact OD1-CE 3.14Å; D58-K61 IonicContact OD1-NZ 3.49Å; D58-K61 PolarHBondContact OD1-NZ 2.76Å; L59-K61 VanDerWaalsContact C-N 3.31Å; L59-K61 PolarHBondContact O-N 2.92Å; K61-M63 VanDerWaalsContact C-N 3.3Å; K61-M63 PolarHBondContact O-N 2.89Å; K61-T64 PolarHBondContact O-N 3.47Å; K61-T64 PolarHBondContact O-OG1 3.43Å; K61-V65 WeakPolarHBondContact O-CB 3.44Å; K61-V65 VanDerWaalsContact O-CG2 3.27Å; K61-V65 WeakPolarHBondContact O-CG2 3.24Å; K61-V65 PolarHBondContact O-N 2.9Å
62C89.1Confident89.2Confident0 Ų069.4 Ų69.40%035%0.351CS..Hα-helixtrans-58-44.4177.1-175.90000111.2F25 D58 L59 L66F25-C62 HydrophobicContact CB-CB 4.04Å; F25-C62 HydrophobicContact CD1-CB 3.63Å; F25-C62 HydrophobicContact CD2-CB 4.27Å; F25-C62 HydrophobicContact CE1-CB 4.14Å; F25-C62 HydrophobicContact CG-CB 3.7Å; D58-C62 WeakPolarHBondContact O-CB 3.45Å; D58-C62 PolarHBondContact O-N 3.26Å; L59-C62 WeakPolarHBondContact O-CB 3.47Å; L59-C62 PolarHBondContact O-N 3.41Å; L59-C62 VanDerWaalsContact O-N 3.15Å; C62-L66 VanDerWaalsContact O-CB 3.32Å; C62-L66 WeakPolarHBondContact O-CB 3.38Å; C62-L66 PolarHBondContact O-N 3.35Å
63M90.3Very high88.8Confident57 Ų5773 Ų7328%0.28139%0.388SS..Hα-helixtrans-68-44177.7-65.5179.489.100111.8L59 K60 K61 V65 N67 I78L59-M63 HydrophobicContact CD1-CG 4.07Å; L59-M63 HydrophobicContact CD1-SD 4.05Å; L59-M63 HydrophobicContact CG-SD 4.23Å; L59-M63 WeakPolarHBondContact O-CG 3.35Å; L59-M63 PolarHBondContact O-N 3.15Å; K60-M63 PolarHBondContact O-N 3.3Å; K61-M63 VanDerWaalsContact C-N 3.3Å; K61-M63 PolarHBondContact O-N 2.89Å; M63-V65 PolarHBondContact O-N 2.95Å; M63-N67 WeakPolarHBondContact O-CB 3.41Å; M63-N67 PolarHBondContact O-N 2.89Å; M63-N67 VanDerWaalsContact O-N 3.07Å; M63-I78 VanDerWaalsContact CE-O 3.31Å; M63-I78 WeakPolarHBondContact CE-O 3.47Å; M63-I78 HydrophobicContact CG-CG2 4.28Å
64T89.2Confident88.5Confident117 Ų11770.6 Ų70.672%0.71838%0.378SS*.Hα-helixtrans-70.5-29179.455.30000114.1K60 K61K60-T64 WeakPolarHBondContact O-CG2 3.34Å; K60-T64 PolarHBondContact O-N 3.1Å; K60-T64 PolarHBondContact O-OG1 3.1Å; K61-T64 PolarHBondContact O-N 3.47Å; K61-T64 PolarHBondContact O-OG1 3.43Å
65V91.1Very high88.6Confident91 Ų9173.1 Ų73.155%0.55240%0.395SS*.Hα-helixtrans-88-37.9-178.6174.30000112.9F25 K61 M63F25-V65 HydrophobicContact CE1-CB 4.4Å; F25-V65 HydrophobicContact CZ-CB 4.12Å; F25-V65 HydrophobicContact CZ-CG1 4.04Å; K61-V65 WeakPolarHBondContact O-CB 3.44Å; K61-V65 VanDerWaalsContact O-CG2 3.27Å; K61-V65 WeakPolarHBondContact O-CG2 3.24Å; K61-V65 PolarHBondContact O-N 2.9Å; M63-V65 PolarHBondContact O-N 2.95Å
66L88.9Confident88.6Confident9 Ų970.6 Ų70.65%0.04738%0.376CS..Hα-helixtrans-102.9-26.7-173.5-61.7-175.2000114.4R21 F22 F25 C62 S69 I78R21-L66 HydrophobicContact CG-CD1 4.44Å; R21-L66 HydrophobicContact CG-CD2 4.35Å; F22-L66 HydrophobicContact CD1-CD1 4.33Å; F22-L66 HydrophobicContact CE1-CD1 4.04Å; F22-L66 HydrophobicContact CE2-CD1 4.38Å; F22-L66 HydrophobicContact CZ-CD1 4.07Å; F25-L66 HydrophobicContact CD2-CD1 4.16Å; F25-L66 HydrophobicContact CE2-CD1 3.63Å; F25-L66 HydrophobicContact CE2-CD2 4.29Å; F25-L66 HydrophobicContact CE2-CG 3.86Å; F25-L66 HydrophobicContact CZ-CD1 4.35Å; F25-L66 HydrophobicContact CZ-CG 4.1Å; C62-L66 VanDerWaalsContact O-CB 3.32Å; C62-L66 WeakPolarHBondContact O-CB 3.38Å; C62-L66 PolarHBondContact O-N 3.35Å; L66-S69 VanDerWaalsContact O-CB 3.26Å; L66-S69 WeakPolarHBondContact O-CB 3.4Å; L66-S69 PolarHBondContact O-N 3.42Å; L66-S69 VanDerWaalsContact O-N 3.15Å; L66-S69 PolarHBondContact O-OG 2.75Å; L66-I78 HydrophobicContact CB-CD1 3.24Å; L66-I78 HydrophobicContact CD1-CD1 4.09Å; L66-I78 HydrophobicContact CG-CD1 4.32Å
67N90.9Very high88.7Confident48 Ų4870 Ų7026%0.25737%0.374SS..THydrogen-bonded Turntrans-68.3137.8178.9-163.1-7.7000110.2M63 S69 L76 I78M63-N67 WeakPolarHBondContact O-CB 3.41Å; M63-N67 PolarHBondContact O-N 2.89Å; M63-N67 VanDerWaalsContact O-N 3.07Å; N67-S69 PolarHBondContact O-N 3.19Å; N67-S69 VanDerWaalsContact O-N 3.12Å; N67-L76 PolarHBondContact OD1-O 2.87Å; N67-I78 HydrophobicContact CB-CB 4.37Å; N67-I78 PolarHBondContact ND2-O 2.82Å; N67-I78 VanDerWaalsContact ND2-O 3.1Å; N67-I78 PolarHBondContact OD1-N 3.49Å
68K87.1Confident88.9Confident173 Ų17367.3 Ų67.375%0.75235%0.351SS*.THydrogen-bonded Turntrans614.1-169.9-51.4-179.4-176.9179.60115.2L76K68-L76 VanDerWaalsContact CA-O 3.29Å; K68-L76 WeakPolarHBondContact CA-O 3.38Å; K68-L76 PolarHBondContact N-O 3.49Å
69S89.6Confident88.9Confident25 Ų2569.8 Ų69.818%0.17536%0.361CS..  trans-69.5135.2175.773.80000111.5R21 L66 N67 T75 L76R21-S69 PolarHBondContact NH2-OG 2.81Å; L66-S69 VanDerWaalsContact O-CB 3.26Å; L66-S69 WeakPolarHBondContact O-CB 3.4Å; L66-S69 PolarHBondContact O-N 3.42Å; L66-S69 VanDerWaalsContact O-N 3.15Å; L66-S69 PolarHBondContact O-OG 2.75Å; N67-S69 PolarHBondContact O-N 3.19Å; N67-S69 VanDerWaalsContact O-N 3.12Å; S69-T75 WeakPolarHBondContact O-CA 3.46Å; S69-L76 PolarHBondContact O-N 2.84Å
70K88.4Confident88.9Confident182 Ų18272.6 Ų72.679%0.79139%0.387SS*.EExtended strand (participates in β ladder)trans-79127.9172.7-70.7-176.3178.6-175.50110.1G74 T75K70-G74 CarbonylContact C-O 3.6Å; K70-G74 WeakPolarHBondContact CA-O 3.45Å; K70-T75 HydrophobicContact CG-CG2 3.76Å
71W87.6Confident88.8Confident52 Ų5268 Ų6820%0.19737%0.372CS..EExtended strand (participates in β ladder)trans-153.2137.8179.2-17867.7000111.3L9 V13 D17 L18 R21 G73 G74 L76L9-W71 HydrophobicContact CD2-CE3 4.27Å; L9-W71 HydrophobicContact CD2-CZ3 4.02Å; V13-W71 HydrophobicContact CB-CZ3 4.47Å; V13-W71 HydrophobicContact CG1-CH2 3.87Å; V13-W71 HydrophobicContact CG1-CZ3 3.58Å; V13-W71 HydrophobicContact CG2-CE3 4.22Å; V13-W71 HydrophobicContact CG2-CZ3 3.97Å; D17-W71 HydrophobicContact CB-CH2 3.66Å; D17-W71 HydrophobicContact CB-CZ2 3.87Å; L18-W71 HydrophobicContact CD2-CH2 4.21Å; L18-W71 HydrophobicContact CD2-CZ3 3.97Å; R21-W71 HydrophobicContact CB-CH2 4.49Å; R21-W71 HydrophobicContact CB-CZ2 4.28Å; R21-W71 VanDerWaalsContact CD-CE2 3.43Å; R21-W71 VanDerWaalsContact CD-CZ2 3.49Å; R21-W71 VanDerWaalsContact NH1-CB 3.25Å; R21-W71 VanDerWaalsContact NH1-CD2 3.28Å; W71-G73 PolarHBondContact O-N 2.93Å; W71-G74 PolarHBondContact N-O 3.36Å; W71-G74 PolarHBondContact O-N 3.08Å; W71-L76 HydrophobicContact CB-CD1 3.71Å; W71-L76 HydrophobicContact CE3-CD1 3.95Å
72K82.9Confident88.4Confident100 Ų10071.9 Ų71.944%0.43539%0.388SS..THydrogen-bonded Turntrans51.518.7177.1-63-93.6-169.5149.80115.2N10 V13 D17N10-K72 PolarHBondContact ND2-O 3.25Å; N10-K72 VanDerWaalsContact ND2-O 3.15Å; V13-K72 HydrophobicContact CG2-CB 3.89Å; V13-K72 HydrophobicContact CG2-CG 4.2Å; D17-K72 WeakPolarHBondContact OD1-CE 3.43Å; D17-K72 IonicContact OD1-NZ 2.69Å; D17-K72 PolarHBondContact OD1-NZ 3.3Å; D17-K72 IonicContact OD2-NZ 2.66Å
73G81.1Confident87.8Confident75 Ų7576.1 Ų76.177%0.77341%0.409SS*.THydrogen-bonded Turntrans116-18.3-178.200000115.7W71W71-G73 PolarHBondContact O-N 2.93Å
74G85.3Confident87.3Confident12 Ų1275.1 Ų75.112%0.12441%0.407CS..EExtended strand (participates in β ladder)trans-128.7160.4-167.200000113.6N10 K70 W71N10-G74 WeakPolarHBondContact ND2-CA 3.46Å; N10-G74 PolarHBondContact ND2-N 2.84Å; K70-G74 CarbonylContact C-O 3.6Å; K70-G74 WeakPolarHBondContact CA-O 3.45Å; W71-G74 PolarHBondContact N-O 3.36Å; W71-G74 PolarHBondContact O-N 3.08Å
75T89.6Confident86.7Confident70 Ų7076.9 Ų76.943%0.42941%0.405SS..EExtended strand (participates in β ladder)trans-93.5111.7176.647.70000110.5G8 S69 K70 Q77G8-T75 WeakPolarHBondContact CA-O 3.39Å; S69-T75 WeakPolarHBondContact O-CA 3.46Å; K70-T75 HydrophobicContact CG-CG2 3.76Å; T75-Q77 PolarHBondContact O-N 3.47Å
76L92Very high86.1Confident1 Ų178.9 Ų78.91%0.00541%0.412CS..  trans-62.9138179.1-84.873.2000111.3V6 G7 L9 N67 K68 S69 W71 I78V6-L76 HydrophobicContact CG1-CD2 3.98Å; V6-L76 HydrophobicContact CG1-CG 4.26Å; G7-L76 WeakPolarHBondContact O-CA 3.41Å; L9-L76 HydrophobicContact CD2-CD1 4.34Å; L9-L76 HydrophobicContact CD2-CD2 4.48Å; L9-L76 HydrophobicContact CD2-CG 4.1Å; N67-L76 PolarHBondContact OD1-O 2.87Å; K68-L76 VanDerWaalsContact CA-O 3.29Å; K68-L76 WeakPolarHBondContact CA-O 3.38Å; K68-L76 PolarHBondContact N-O 3.49Å; S69-L76 PolarHBondContact O-N 2.84Å; W71-L76 HydrophobicContact CB-CD1 3.71Å; W71-L76 HydrophobicContact CE3-CD1 3.95Å; L76-I78 HydrophobicContact CB-CD1 4.5Å; L76-I78 HydrophobicContact CB-CG1 4.48Å; L76-I78 HydrophobicContact CD2-CD1 4.04Å; L76-I78 HydrophobicContact CD2-CG1 4.49Å
77Q90Very high85.6Confident99 Ų9983 Ų8346%0.46343%0.431SS..EExtended strand (participates in β ladder)trans-115.1118165.2-70.1175.4-28.600107.4V6 G7 T75V6-Q77 CarbonylContact C-O 3.56Å; V6-Q77 WeakPolarHBondContact CA-O 3.36Å; G7-Q77 PolarHBondContact N-O 3.07Å; G7-Q77 PolarHBondContact O-N 2.89Å; T75-Q77 PolarHBondContact O-N 3.47Å
78I92.5Very high85.4Confident0 Ų086.8 Ų86.80%044%0.441CS..EExtended strand (participates in β ladder)trans-118.9120.7-177.2-64164.4000109.9L4 Y5 V6 F22 M63 L66 N67 L76L4-I78 HydrophobicContact CD1-CG2 4.42Å; Y5-I78 WeakPolarHBondContact O-CA 3.36Å; V6-I78 HydrophobicContact CG1-CG1 4.21Å; V6-I78 HydrophobicContact CG2-CG1 4.41Å; F22-I78 HydrophobicContact CE1-CD1 3.91Å; F22-I78 HydrophobicContact CE1-CG1 4.48Å; F22-I78 HydrophobicContact CE1-CG2 4.5Å; F22-I78 HydrophobicContact CZ-CD1 3.56Å; F22-I78 HydrophobicContact CZ-CG1 4.05Å; M63-I78 VanDerWaalsContact CE-O 3.31Å; M63-I78 WeakPolarHBondContact CE-O 3.47Å; M63-I78 HydrophobicContact CG-CG2 4.28Å; L66-I78 HydrophobicContact CB-CD1 3.24Å; L66-I78 HydrophobicContact CD1-CD1 4.09Å; L66-I78 HydrophobicContact CG-CD1 4.32Å; N67-I78 HydrophobicContact CB-CB 4.37Å; N67-I78 PolarHBondContact ND2-O 2.82Å; N67-I78 VanDerWaalsContact ND2-O 3.1Å; N67-I78 PolarHBondContact OD1-N 3.49Å; L76-I78 HydrophobicContact CB-CD1 4.5Å; L76-I78 HydrophobicContact CB-CG1 4.48Å; L76-I78 HydrophobicContact CD2-CD1 4.04Å; L76-I78 HydrophobicContact CD2-CG1 4.49Å
79E90.7Very high85.1Confident105 Ų10581 Ų8149%0.49142%0.418SS..EExtended strand (participates in β ladder)trans-134.6156-174.1-64.3178.9174.800110.1L4 Y5 A81L4-E79 CarbonylContact C-O 3.57Å; L4-E79 WeakPolarHBondContact CA-O 3.48Å; Y5-E79 HydrophobicContact CD1-CB 4.43Å; Y5-E79 PolarHBondContact N-O 3.37Å; Y5-E79 PolarHBondContact O-N 3.02Å; Y5-E79 VanDerWaalsContact O-N 3.09Å; E79-A81 PolarHBondContact O-N 2.8Å
80A89.6Confident84.9Confident77 Ų7782.4 Ų82.464%0.63643%0.432SS*.EExtended strand (participates in β ladder)trans-73.6113.7171.100000108.5
81A87.3Confident84.8Confident24 Ų2477.9 Ų77.920%0.19841%0.413CS..PPolyproline II helixtrans-76151.9178.200000110.7R3 Y49 E79R3-A81 HydrophobicContact CB-CB 4.19Å; R3-A81 HydrophobicContact CG-CB 4Å; R3-A81 PolarHBondContact O-N 3.07Å; Y49-A81 HydrophobicContact CD1-CB 3.89Å; Y49-A81 HydrophobicContact CE1-CB 4.13Å; E79-A81 PolarHBondContact O-N 2.8Å
82K82.3Confident84.9Confident192 Ų19280.8 Ų80.884%0.83543%0.429SS*.PPolyproline II helixtrans-58.4148161.2-64.1-179.1-179.31790109.2
83E77.6Confident85.4Confident90 Ų9084.2 Ų84.242%0.42144%0.439SS..PPolyproline II helixtrans-49.4150.417062.6-164.3178.100111.5F85 R88E83-F85 PolarHBondContact O-N 3.38Å; E83-R88 HydrophobicContact CG-CB 4.15Å; E83-R88 VanDerWaalsContact OE1-CD 3.24Å; E83-R88 WeakPolarHBondContact OE1-CD 3.32Å; E83-R88 WeakPolarHBondContact OE1-CG 3.37Å; E83-R88 IonicContact OE1-CZ 3.08Å; E83-R88 IonicContact OE1-NE 2.97Å; E83-R88 IonicContact OE1-NH1 3.78Å; E83-R88 PolarHBondContact OE1-NH1 3.44Å
84S79.8Confident85.7Confident35 Ų3586.6 Ų86.625%0.24543%0.43CS..PPolyproline II helixtrans-69.8131.8174.661.80000109.2L86 H87 R88S84-L86 PolarHBondContact O-N 2.86Å; S84-L86 VanDerWaalsContact O-N 3.16Å; S84-H87 PolarHBondContact O-N 2.97Å; S84-H87 WeakPolarHBondContact OG-CB 3.46Å; S84-R88 PolarHBondContact O-N 3.46Å
85F75.4Confident85.9Confident154 Ų15491.5 Ų91.568%0.67545%0.45SS*.Hα-helixtrans-53.2-38.4-178.4178.3-100.7000112.3E83 R88 L89E83-F85 PolarHBondContact O-N 3.38Å; F85-R88 PolarHBondContact O-N 2.98Å; F85-L89 HydrophobicContact CE1-CD2 4.33Å; F85-L89 VanDerWaalsContact O-CB 3.29Å; F85-L89 WeakPolarHBondContact O-CB 3.29Å; F85-L89 PolarHBondContact O-N 3.07Å
86L79Confident85.9Confident134 Ų13491.1 Ų91.170%0.70245%0.454SS*.Hα-helixtrans-64.5-37.6175.3-60.2177.6000113.2S84 A90S84-L86 PolarHBondContact O-N 2.86Å; S84-L86 VanDerWaalsContact O-N 3.16Å; L86-A90 VanDerWaalsContact O-CB 3.31Å; L86-A90 WeakPolarHBondContact O-CB 3.35Å; L86-A90 PolarHBondContact O-N 3.1Å
87H79.3Confident85.7Confident96 Ų9693.8 Ų93.844%0.44448%0.476SS..Hα-helixtrans-72.2-41.8177.2-175.371000111.4S84 A90 Q91S84-H87 PolarHBondContact O-N 2.97Å; S84-H87 WeakPolarHBondContact OG-CB 3.46Å; H87-A90 PolarHBondContact O-N 3.37Å; H87-Q91 WeakPolarHBondContact O-CB 3.31Å; H87-Q91 PolarHBondContact O-N 3.17Å
88R85.4Confident85.7Confident126 Ų12693.1 Ų93.148%0.47548%0.476SS..Hα-helixtrans-56-51.2171.2-177.4-167.3176.7103-6.5111E83 S84 F85 A90 Q91 E92E83-R88 HydrophobicContact CG-CB 4.15Å; E83-R88 VanDerWaalsContact OE1-CD 3.24Å; E83-R88 WeakPolarHBondContact OE1-CD 3.32Å; E83-R88 WeakPolarHBondContact OE1-CG 3.37Å; E83-R88 IonicContact OE1-CZ 3.08Å; E83-R88 IonicContact OE1-NE 2.97Å; E83-R88 IonicContact OE1-NH1 3.78Å; E83-R88 PolarHBondContact OE1-NH1 3.44Å; S84-R88 PolarHBondContact O-N 3.46Å; F85-R88 PolarHBondContact O-N 2.98Å; R88-A90 VanDerWaalsContact C-N 3.34Å; R88-A90 PolarHBondContact O-N 2.73Å; R88-Q91 PolarHBondContact O-N 3.35Å; R88-E92 WeakPolarHBondContact O-CB 3.28Å; R88-E92 PolarHBondContact O-N 2.83Å
89L82.1Confident85.3Confident52 Ų5299.1 Ų99.127%0.27250%0.504SS..Hα-helixtrans-64.2-36.5-179.5-173.764.9000112.5F85 R93F85-L89 HydrophobicContact CE1-CD2 4.33Å; F85-L89 VanDerWaalsContact O-CB 3.29Å; F85-L89 WeakPolarHBondContact O-CB 3.29Å; F85-L89 PolarHBondContact O-N 3.07Å; L89-R93 WeakPolarHBondContact O-CB 3.46Å; L89-R93 WeakPolarHBondContact O-CD 3.47Å; L89-R93 VanDerWaalsContact O-CG 3.22Å; L89-R93 WeakPolarHBondContact O-CG 3.35Å; L89-R93 PolarHBondContact O-N 3.25Å
90A84.6Confident84.8Confident55 Ų55100.1 Ų100.146%0.45551%0.508SS..Hα-helixtrans-66.7-42.5172.900000112L86 H87 R88 R93 Q94L86-A90 VanDerWaalsContact O-CB 3.31Å; L86-A90 WeakPolarHBondContact O-CB 3.35Å; L86-A90 PolarHBondContact O-N 3.1Å; H87-A90 PolarHBondContact O-N 3.37Å; R88-A90 VanDerWaalsContact C-N 3.34Å; R88-A90 PolarHBondContact O-N 2.73Å; A90-R93 PolarHBondContact O-N 2.98Å; A90-Q94 PolarHBondContact O-N 3.31Å
91Q86.4Confident84.6Confident87 Ų87101.2 Ų101.241%0.40750%0.503SS..Hα-helixtrans-65.9-40.5177-171.8179.938.200112H87 R88 Q94 Q95H87-Q91 WeakPolarHBondContact O-CB 3.31Å; H87-Q91 PolarHBondContact O-N 3.17Å; R88-Q91 PolarHBondContact O-N 3.35Å; Q91-Q94 PolarHBondContact O-N 3.5Å; Q91-Q95 WeakPolarHBondContact O-CG 3.42Å; Q91-Q95 PolarHBondContact O-N 3.05Å
92E90.6Very high84.2Confident113 Ų113106 Ų10653%0.52852%0.521SS..Hα-helixtrans-63.6-45.1176.1-170.1178.3149.200111.4R88 Q94 Q95 A96R88-E92 WeakPolarHBondContact O-CB 3.28Å; R88-E92 PolarHBondContact O-N 2.83Å; E92-Q94 VanDerWaalsContact C-N 3.31Å; E92-Q94 PolarHBondContact O-N 3.1Å; E92-Q95 PolarHBondContact O-N 3.17Å; E92-A96 WeakPolarHBondContact O-CB 3.41Å; E92-A96 PolarHBondContact O-N 2.75Å
93R92.9Very high84.2Confident172 Ų172103.5 Ų103.565%0.64951%0.506SS*.Hα-helixtrans-59.1-40.3171.9-73.9170.1178.6-170.6-1112.3L89 A90 A96 A97L89-R93 WeakPolarHBondContact O-CB 3.46Å; L89-R93 WeakPolarHBondContact O-CD 3.47Å; L89-R93 VanDerWaalsContact O-CG 3.22Å; L89-R93 WeakPolarHBondContact O-CG 3.35Å; L89-R93 PolarHBondContact O-N 3.25Å; A90-R93 PolarHBondContact O-N 2.98Å; R93-A96 PolarHBondContact O-N 2.89Å; R93-A97 WeakPolarHBondContact O-CB 3.36Å; R93-A97 PolarHBondContact O-N 2.91Å
94Q87.9Confident84.1Confident124 Ų124101.2 Ų101.258%0.57950%0.5SS*.Hα-helixtrans-66.1-45.7175.9-173.517411.200111.8A90 Q91 E92 A96 A97 D98A90-Q94 PolarHBondContact O-N 3.31Å; Q91-Q94 PolarHBondContact O-N 3.5Å; E92-Q94 VanDerWaalsContact C-N 3.31Å; E92-Q94 PolarHBondContact O-N 3.1Å; Q94-A96 VanDerWaalsContact C-N 3.31Å; Q94-A96 PolarHBondContact O-N 3.06Å; Q94-A97 PolarHBondContact O-N 2.92Å; Q94-A97 VanDerWaalsContact O-N 3.15Å; Q94-D98 PolarHBondContact O-N 2.94Å
95Q89Confident84.2Confident116 Ų116102 Ų10254%0.54250%0.503SS..Hα-helixtrans-62.1-37.9176.7-71.5176.821.600112.2Q91 E92 H99Q91-Q95 WeakPolarHBondContact O-CG 3.42Å; Q91-Q95 PolarHBondContact O-N 3.05Å; E92-Q95 PolarHBondContact O-N 3.17Å; Q95-H99 VanDerWaalsContact O-CB 3.27Å; Q95-H99 WeakPolarHBondContact O-CB 3.25Å; Q95-H99 PolarHBondContact O-N 3.45Å
96A88.6Confident84.5Confident61 Ų6197.5 Ų97.550%0.50449%0.488SS..Hα-helixtrans-64.1-42.3173.300000112E92 R93 Q94 H99 H100E92-A96 WeakPolarHBondContact O-CB 3.41Å; E92-A96 PolarHBondContact O-N 2.75Å; R93-A96 PolarHBondContact O-N 2.89Å; Q94-A96 VanDerWaalsContact C-N 3.31Å; Q94-A96 PolarHBondContact O-N 3.06Å; A96-H99 PolarHBondContact O-N 3.47Å; A96-H100 WeakPolarHBondContact O-CB 3.33Å; A96-H100 PolarHBondContact O-N 2.82Å
97A89.3Confident84.8Confident58 Ų5894.6 Ų94.648%0.47947%0.471SS..Hα-helixtrans-65.5-44175.500000112.4R93 Q94 H100 L101R93-A97 WeakPolarHBondContact O-CB 3.36Å; R93-A97 PolarHBondContact O-N 2.91Å; Q94-A97 PolarHBondContact O-N 2.92Å; Q94-A97 VanDerWaalsContact O-N 3.15Å; A97-H100 PolarHBondContact O-N 3.47Å; A97-L101 WeakPolarHBondContact O-CB 3.41Å; A97-L101 PolarHBondContact O-N 2.89Å
98D89.1Confident85.2Confident85 Ų8591.6 Ų91.646%0.45546%0.464SS..Hα-helixtrans-63.2-41.9175.5-76.9-31.4000111.4Q94 L101 Q102Q94-D98 PolarHBondContact O-N 2.94Å; D98-L101 PolarHBondContact O-N 3.19Å; D98-Q102 WeakPolarHBondContact O-CG 3.48Å; D98-Q102 PolarHBondContact O-N 2.86Å
99H84.8Confident85.3Confident126 Ų12691.8 Ų91.858%0.58347%0.468SS*.Hα-helixtrans-64.5-39.8174.5-179.1-122.8000111.9Q95 A96 L101 Q102 R103Q95-H99 VanDerWaalsContact O-CB 3.27Å; Q95-H99 WeakPolarHBondContact O-CB 3.25Å; Q95-H99 PolarHBondContact O-N 3.45Å; A96-H99 PolarHBondContact O-N 3.47Å; H99-L101 VanDerWaalsContact C-N 3.35Å; H99-Q102 PolarHBondContact O-N 2.8Å; H99-R103 VanDerWaalsContact O-CB 3.31Å; H99-R103 WeakPolarHBondContact O-CB 3.45Å; H99-R103 PolarHBondContact O-N 3.29Å
100H80.9Confident85.5Confident126 Ų12695 Ų9558%0.58348%0.479SS*.Hα-helixtrans-64.8-36.3173.2-176.3-103.9000112.4A96 A97 R103 S104A96-H100 WeakPolarHBondContact O-CB 3.33Å; A96-H100 PolarHBondContact O-N 2.82Å; A97-H100 PolarHBondContact O-N 3.47Å; H100-R103 PolarHBondContact O-N 2.91Å; H100-S104 WeakPolarHBondContact O-CB 3.32Å; H100-S104 PolarHBondContact O-N 2.85Å; H100-S104 PolarHBondContact O-OG 2.91Å
101L83.7Confident85.7Confident100 Ų10098 Ų9852%0.52448%0.484SS..Hα-helixtrans-69.4-40.4174.1-174.760.2000112.1A97 D98 H99 S104 T105A97-L101 WeakPolarHBondContact O-CB 3.41Å; A97-L101 PolarHBondContact O-N 2.89Å; D98-L101 PolarHBondContact O-N 3.19Å; H99-L101 VanDerWaalsContact C-N 3.35Å; L101-S104 WeakPolarHBondContact CA-OG 3.46Å; L101-S104 PolarHBondContact O-OG 3.26Å; L101-T105 HydrophobicContact CD1-CG2 4.32Å; L101-T105 WeakPolarHBondContact O-CB 3.37Å; L101-T105 VanDerWaalsContact O-CG2 3.24Å; L101-T105 WeakPolarHBondContact O-CG2 3.41Å; L101-T105 PolarHBondContact O-N 3.42Å; L101-T105 PolarHBondContact O-OG1 2.93Å; L101-T105 VanDerWaalsContact O-OG1 3.1Å
102Q79.3Confident85.8Confident124 Ų124100.7 Ų100.758%0.57950%0.495SS*.Hα-helixtrans-62.1-45.7170.8-68.2-62.4-18.900110.9D98 H99 T105 T106D98-Q102 WeakPolarHBondContact O-CG 3.48Å; D98-Q102 PolarHBondContact O-N 2.86Å; H99-Q102 PolarHBondContact O-N 2.8Å; Q102-T105 PolarHBondContact O-N 3.18Å; Q102-T105 PolarHBondContact O-OG1 3.24Å; Q102-T105 VanDerWaalsContact O-OG1 3.07Å; Q102-T106 WeakPolarHBondContact O-CG2 3.44Å; Q102-T106 PolarHBondContact O-N 3.45Å
103R81.8Confident85.5Confident140 Ų14097.9 Ų97.953%0.52848%0.483SS..Hα-helixtrans-57.7-57.1178.3-172.1172.6-166.3144.11.2111.8H99 H100 T105 T106 E107H99-R103 VanDerWaalsContact O-CB 3.31Å; H99-R103 WeakPolarHBondContact O-CB 3.45Å; H99-R103 PolarHBondContact O-N 3.29Å; H100-R103 PolarHBondContact O-N 2.91Å; R103-T105 VanDerWaalsContact C-N 3.34Å; R103-T105 PolarHBondContact O-N 2.84Å; R103-T106 WeakPolarHBondContact O-CA 3.48Å; R103-T106 PolarHBondContact O-N 3.31Å; R103-T106 PolarHBondContact O-OG1 2.61Å; R103-E107 VanDerWaalsContact CG-OE1 3.28Å; R103-E107 WeakPolarHBondContact CG-OE1 3.43Å; R103-E107 IonicContact NE-OE1 3.75Å; R103-E107 PolarHBondContact NE-OE1 2.67Å; R103-E107 PolarHBondContact O-N 2.76Å
104S77.2Confident85.2Confident42 Ų4293.8 Ų93.829%0.29447%0.473SS..Hα-helixtrans-60.2-37.3178.655.70000112.9H100 L101 T106 E107 A108H100-S104 WeakPolarHBondContact O-CB 3.32Å; H100-S104 PolarHBondContact O-N 2.85Å; H100-S104 PolarHBondContact O-OG 2.91Å; L101-S104 WeakPolarHBondContact CA-OG 3.46Å; L101-S104 PolarHBondContact O-OG 3.26Å; S104-T106 VanDerWaalsContact C-N 3.35Å; S104-T106 PolarHBondContact O-N 3.45Å; S104-E107 PolarHBondContact O-N 3.25Å; S104-A108 WeakPolarHBondContact O-CB 3.5Å; S104-A108 PolarHBondContact O-N 3.49Å
105T80.2Confident85.2Confident51 Ų5192.7 Ų92.731%0.31347%0.471SS..Hα-helixtrans-71.5-24.4173.365.80000113.5L101 Q102 R103 K109L101-T105 HydrophobicContact CD1-CG2 4.32Å; L101-T105 WeakPolarHBondContact O-CB 3.37Å; L101-T105 VanDerWaalsContact O-CG2 3.24Å; L101-T105 WeakPolarHBondContact O-CG2 3.41Å; L101-T105 PolarHBondContact O-N 3.42Å; L101-T105 PolarHBondContact O-OG1 2.93Å; L101-T105 VanDerWaalsContact O-OG1 3.1Å; Q102-T105 PolarHBondContact O-N 3.18Å; Q102-T105 PolarHBondContact O-OG1 3.24Å; Q102-T105 VanDerWaalsContact O-OG1 3.07Å; R103-T105 VanDerWaalsContact C-N 3.34Å; R103-T105 PolarHBondContact O-N 2.84Å; T105-K109 WeakPolarHBondContact O-CD 3.36Å; T105-K109 VanDerWaalsContact O-CE 3.29Å; T105-K109 WeakPolarHBondContact O-CE 3.27Å; T105-K109 WeakPolarHBondContact O-CG 3.31Å; T105-K109 PolarHBondContact O-N 3.34Å
106T81.6Confident85.2Confident59 Ų5989.4 Ų89.436%0.36246%0.461SS..Hα-helixtrans-75.2-35.5167.5690000112.3Q102 R103 S104 K109 K110Q102-T106 WeakPolarHBondContact O-CG2 3.44Å; Q102-T106 PolarHBondContact O-N 3.45Å; R103-T106 WeakPolarHBondContact O-CA 3.48Å; R103-T106 PolarHBondContact O-N 3.31Å; R103-T106 PolarHBondContact O-OG1 2.61Å; S104-T106 VanDerWaalsContact C-N 3.35Å; S104-T106 PolarHBondContact O-N 3.45Å; T106-K109 WeakPolarHBondContact O-CB 3.22Å; T106-K109 PolarHBondContact O-N 2.88Å; T106-K110 WeakPolarHBondContact O-CG 3.42Å; T106-K110 PolarHBondContact O-N 3.4Å
107E86.5Confident85.1Confident73 Ų7387.3 Ų87.334%0.34144%0.441SS..Hα-helixtrans-70.1-41.9178.3-73.6160.5-179.100111.2R103 S104 K109 K110 Q111R103-E107 VanDerWaalsContact CG-OE1 3.28Å; R103-E107 WeakPolarHBondContact CG-OE1 3.43Å; R103-E107 IonicContact NE-OE1 3.75Å; R103-E107 PolarHBondContact NE-OE1 2.67Å; R103-E107 PolarHBondContact O-N 2.76Å; S104-E107 PolarHBondContact O-N 3.25Å; E107-K109 VanDerWaalsContact C-N 3.26Å; E107-K109 PolarHBondContact O-N 3.36Å; E107-K110 WeakPolarHBondContact O-CB 3.49Å; E107-K110 PolarHBondContact O-N 3.25Å; E107-K110 VanDerWaalsContact O-N 3.08Å; E107-Q111 WeakPolarHBondContact O-CG 3.42Å; E107-Q111 PolarHBondContact O-N 2.84Å
108A88.3Confident84.9Confident34 Ų3488.6 Ų88.628%0.28145%0.446SS..Hα-helixtrans-62.4-28.7170.100000113.5S104 K112S104-A108 WeakPolarHBondContact O-CB 3.5Å; S104-A108 PolarHBondContact O-N 3.49Å; A108-K112 WeakPolarHBondContact O-CD 3.4Å; A108-K112 VanDerWaalsContact O-CG 3.27Å; A108-K112 WeakPolarHBondContact O-CG 3.44Å; A108-K112 PolarHBondContact O-N 3.18Å
109K86.6Confident84.9Confident130 Ų13093.9 Ų93.957%0.56547%0.465SS*.Hα-helixtrans-73.7-39.2171.4-71.4160.7-163.8152.30111.4T105 T106 E107 L113T105-K109 WeakPolarHBondContact O-CD 3.36Å; T105-K109 VanDerWaalsContact O-CE 3.29Å; T105-K109 WeakPolarHBondContact O-CE 3.27Å; T105-K109 WeakPolarHBondContact O-CG 3.31Å; T105-K109 PolarHBondContact O-N 3.34Å; T106-K109 WeakPolarHBondContact O-CB 3.22Å; T106-K109 PolarHBondContact O-N 2.88Å; E107-K109 VanDerWaalsContact C-N 3.26Å; E107-K109 PolarHBondContact O-N 3.36Å; K109-L113 WeakPolarHBondContact O-CB 3.4Å; K109-L113 PolarHBondContact O-N 3.27Å
110K86.8Confident84.9Confident119 Ų11988.7 Ų88.752%0.51744%0.444SS..Hα-helixtrans-64.2-45.4174.2-69166-172.1166.10111.3T106 E107 L113 L114T106-K110 WeakPolarHBondContact O-CG 3.42Å; T106-K110 PolarHBondContact O-N 3.4Å; E107-K110 WeakPolarHBondContact O-CB 3.49Å; E107-K110 PolarHBondContact O-N 3.25Å; E107-K110 VanDerWaalsContact O-N 3.08Å; K110-L113 PolarHBondContact O-N 3.25Å; K110-L114 WeakPolarHBondContact O-CG 3.41Å; K110-L114 PolarHBondContact O-N 2.88Å
111Q87.7Confident85Confident118 Ų11885.2 Ų85.255%0.55144%0.442SS*.Hα-helixtrans-57.2-55.7176.6-74.3168.9-18.100111.2E107 L113 L114 D115E107-Q111 WeakPolarHBondContact O-CG 3.42Å; E107-Q111 PolarHBondContact O-N 2.84Å; Q111-L113 PolarHBondContact O-N 3.37Å; Q111-L114 CarbonylContact O-C 3.58Å; Q111-L114 WeakPolarHBondContact O-CA 3.45Å; Q111-L114 WeakPolarHBondContact O-CB 3.36Å; Q111-L114 PolarHBondContact O-N 2.91Å; Q111-D115 PolarHBondContact O-N 3.33Å
112K88.5Confident85Confident144 Ų14481 Ų8163%0.62642%0.42SS*.Hα-helixtrans-55.1-29.5177.4-71.8170-176.3177.90114A108 D115 S116A108-K112 WeakPolarHBondContact O-CD 3.4Å; A108-K112 VanDerWaalsContact O-CG 3.27Å; A108-K112 WeakPolarHBondContact O-CG 3.44Å; A108-K112 PolarHBondContact O-N 3.18Å; K112-D115 WeakPolarHBondContact CA-OD2 3.3Å; K112-S116 WeakPolarHBondContact O-CB 3.5Å; K112-S116 PolarHBondContact O-N 3.36Å; K112-S116 VanDerWaalsContact O-N 3.15Å; K112-S116 PolarHBondContact O-OG 3.49Å
113L85.6Confident85.1Confident53 Ų5382 Ų8228%0.27743%0.425SS..Hα-helixtrans-80.1-37.7175.8177.8147.4000112.4K109 K110 Q111 S116 W117 W142K109-L113 WeakPolarHBondContact O-CB 3.4Å; K109-L113 PolarHBondContact O-N 3.27Å; K110-L113 PolarHBondContact O-N 3.25Å; Q111-L113 PolarHBondContact O-N 3.37Å; L113-S116 PolarHBondContact O-N 3.34Å; L113-W117 HydrophobicContact CD2-CD2 3.86Å; L113-W117 HydrophobicContact CD2-CE3 3.74Å; L113-W117 HydrophobicContact CD2-CH2 3.48Å; L113-W117 VanDerWaalsContact CD2-CH2 3.48Å; L113-W117 HydrophobicContact CD2-CZ2 3.61Å; L113-W117 HydrophobicContact CD2-CZ3 3.54Å; L113-W117 HydrophobicContact CG-CZ2 4.5Å; L113-W117 WeakPolarHBondContact O-CB 3.47Å; L113-W117 PolarHBondContact O-N 3.17Å; L113-W142 HydrophobicContact CD1-CZ2 4.19Å
114L85.8Confident85.2Confident86 Ų8682.3 Ų82.345%0.4544%0.437SS..Hα-helixtrans-64.1-40.2169.9-71.5161.8000111.6K110 Q111 W117 S118K110-L114 WeakPolarHBondContact O-CG 3.41Å; K110-L114 PolarHBondContact O-N 2.88Å; Q111-L114 CarbonylContact O-C 3.58Å; Q111-L114 WeakPolarHBondContact O-CA 3.45Å; Q111-L114 WeakPolarHBondContact O-CB 3.36Å; Q111-L114 PolarHBondContact O-N 2.91Å; L114-W117 HydrophobicContact CD2-CE3 4.03Å; L114-W117 HydrophobicContact CD2-CZ3 4.21Å; L114-W117 PolarHBondContact O-N 3.4Å; L114-S118 WeakPolarHBondContact O-CB 3.44Å; L114-S118 PolarHBondContact O-N 2.71Å; L114-S118 PolarHBondContact O-OG 3.48Å
115D88Confident85.5Confident101 Ų10186.3 Ų86.354%0.5445%0.449SS..Hα-helixtrans-62.1-45.1174.2-57.6-34000110.7Q111 K112 S118 K119Q111-D115 PolarHBondContact O-N 3.33Å; K112-D115 WeakPolarHBondContact CA-OD2 3.3Å; D115-S118 PolarHBondContact O-N 3.44Å; D115-K119 VanDerWaalsContact O-CB 3.27Å; D115-K119 WeakPolarHBondContact O-CB 3.07Å; D115-K119 PolarHBondContact O-N 3.05Å
116S88.1Confident85.5Confident48 Ų4886.3 Ų86.334%0.33645%0.45SS..Hα-helixtrans-63.5-41.4177.8-61.80000111.9K112 L113 A120 C139K112-S116 WeakPolarHBondContact O-CB 3.5Å; K112-S116 PolarHBondContact O-N 3.36Å; K112-S116 VanDerWaalsContact O-N 3.15Å; K112-S116 PolarHBondContact O-OG 3.49Å; L113-S116 PolarHBondContact O-N 3.34Å; S116-A120 VanDerWaalsContact O-CB 3.31Å; S116-A120 WeakPolarHBondContact O-CB 3.49Å; S116-A120 PolarHBondContact O-N 2.92Å; S116-C139 VanDerWaalsContact CB-SG 3.52Å
117W86.9Confident85.5Confident17 Ų1784.6 Ų84.66%0.06444%0.438CS..Hα-helixtrans-64.5-44.3172.9-83.9-14.3000113.1L113 L114 K119 A120 G121 V122 F125 W142 V150L113-W117 HydrophobicContact CD2-CD2 3.86Å; L113-W117 HydrophobicContact CD2-CE3 3.74Å; L113-W117 HydrophobicContact CD2-CH2 3.48Å; L113-W117 VanDerWaalsContact CD2-CH2 3.48Å; L113-W117 HydrophobicContact CD2-CZ2 3.61Å; L113-W117 HydrophobicContact CD2-CZ3 3.54Å; L113-W117 HydrophobicContact CG-CZ2 4.5Å; L113-W117 WeakPolarHBondContact O-CB 3.47Å; L113-W117 PolarHBondContact O-N 3.17Å; L114-W117 HydrophobicContact CD2-CE3 4.03Å; L114-W117 HydrophobicContact CD2-CZ3 4.21Å; L114-W117 PolarHBondContact O-N 3.4Å; W117-K119 VanDerWaalsContact C-N 3.33Å; W117-K119 PolarHBondContact O-N 3.32Å; W117-A120 CarbonylContact O-C 3.54Å; W117-A120 WeakPolarHBondContact O-CA 3.17Å; W117-A120 WeakPolarHBondContact O-CB 3.17Å; W117-A120 PolarHBondContact O-N 3.49Å; W117-G121 PolarHBondContact O-N 3Å; W117-V122 HydrophobicContact CB-CB 3.9Å; W117-V122 HydrophobicContact CB-CG1 4.49Å; W117-V122 HydrophobicContact CB-CG2 4.05Å; W117-V122 HydrophobicContact CG-CB 4.24Å; W117-V122 HydrophobicContact CG-CG1 4.46Å; W117-V122 HydrophobicContact CG-CG2 4.1Å; W117-V122 WeakPolarHBondContact O-CB 3.43Å; W117-V122 WeakPolarHBondContact O-CG2 3.34Å; W117-V122 PolarHBondContact O-N 3.12Å; W117-F125 HydrophobicContact CE3-CE1 4.41Å; W117-F125 AromaticContact CH2-CD1 3.9Å; W117-F125 HydrophobicContact CH2-CD1 3.9Å; W117-F125 AromaticContact CH2-CE1 3.52Å; W117-F125 HydrophobicContact CH2-CE1 3.52Å; W117-F125 AromaticContact CZ3-CD1 3.88Å; W117-F125 HydrophobicContact CZ3-CD1 3.88Å; W117-F125 AromaticContact CZ3-CE1 3.38Å; W117-F125 HydrophobicContact CZ3-CE1 3.38Å; W117-F125 HydrophobicContact CZ3-CZ 4.16Å; W117-W142 AromaticContact CH2-CH2 3.8Å; W117-W142 HydrophobicContact CH2-CH2 3.8Å; W117-W142 HydrophobicContact CH2-CZ2 4.15Å; W117-W142 HydrophobicContact CH2-CZ3 4.02Å; W117-W142 AromaticContact CZ2-CD2 3.75Å; W117-W142 HydrophobicContact CZ2-CD2 3.75Å; W117-W142 AromaticContact CZ2-CE2 3.76Å; W117-W142 AromaticContact CZ2-CE3 3.63Å; W117-W142 HydrophobicContact CZ2-CE3 3.63Å; W117-W142 AromaticContact CZ2-CH2 3.54Å; W117-W142 HydrophobicContact CZ2-CH2 3.54Å; W117-W142 AromaticContact CZ2-CZ2 3.67Å; W117-W142 HydrophobicContact CZ2-CZ2 3.67Å; W117-W142 AromaticContact CZ2-CZ3 3.51Å; W117-W142 HydrophobicContact CZ2-CZ3 3.51Å; W117-V150 HydrophobicContact CZ2-CG1 4.32Å
118S86.2Confident84.9Confident84 Ų8490.2 Ų90.259%0.58746%0.461SS*.Hα-helixtrans-62.5-43.8178.1-56.80000110.6L114 D115 A120 G121L114-S118 WeakPolarHBondContact O-CB 3.44Å; L114-S118 PolarHBondContact O-N 2.71Å; L114-S118 PolarHBondContact O-OG 3.48Å; D115-S118 PolarHBondContact O-N 3.44Å; S118-A120 PolarHBondContact O-N 3.5Å; S118-G121 PolarHBondContact O-N 3.21Å
119K88.3Confident83.9Confident196 Ų19693.9 Ų93.985%0.85249%0.492SS*.Hα-helixtrans-64.7-24.3173.2-171.7169.6-175.71710113.6D115 W117D115-K119 VanDerWaalsContact O-CB 3.27Å; D115-K119 WeakPolarHBondContact O-CB 3.07Å; D115-K119 PolarHBondContact O-N 3.05Å; W117-K119 VanDerWaalsContact C-N 3.33Å; W117-K119 PolarHBondContact O-N 3.32Å
120A84.3Confident83.4Confident18 Ų1889 Ų8915%0.14948%0.476CS..THydrogen-bonded Turntrans-86.8-1.5173.800000113.9S116 W117 S118 V122 M127 V136 P137S116-A120 VanDerWaalsContact O-CB 3.31Å; S116-A120 WeakPolarHBondContact O-CB 3.49Å; S116-A120 PolarHBondContact O-N 2.92Å; W117-A120 CarbonylContact O-C 3.54Å; W117-A120 WeakPolarHBondContact O-CA 3.17Å; W117-A120 WeakPolarHBondContact O-CB 3.17Å; W117-A120 PolarHBondContact O-N 3.49Å; S118-A120 PolarHBondContact O-N 3.5Å; A120-V122 HydrophobicContact CB-CG2 4.24Å; A120-M127 WeakPolarHBondContact O-CE 3.33Å; A120-V136 HydrophobicContact CB-CG1 3.9Å; A120-P137 HydrophobicContact CB-CB 4.18Å; A120-P137 VanDerWaalsContact CB-O 3.26Å; A120-P137 WeakPolarHBondContact CB-O 3.38Å
121G83.9Confident82.9Confident52 Ų5288.4 Ų88.454%0.53648%0.481SS..THydrogen-bonded Turntrans76.620.7-176.900000114.4W117 S118W117-G121 PolarHBondContact O-N 3Å; S118-G121 PolarHBondContact O-N 3.21Å
122V83.8Confident82.6Confident13 Ų1386.5 Ų86.58%0.07948%0.479CS..  trans-80.1120.7171.1-172.40000108.8W117 A120 T126 M127 V136 V150W117-V122 HydrophobicContact CB-CB 3.9Å; W117-V122 HydrophobicContact CB-CG1 4.49Å; W117-V122 HydrophobicContact CB-CG2 4.05Å; W117-V122 HydrophobicContact CG-CB 4.24Å; W117-V122 HydrophobicContact CG-CG1 4.46Å; W117-V122 HydrophobicContact CG-CG2 4.1Å; W117-V122 WeakPolarHBondContact O-CB 3.43Å; W117-V122 WeakPolarHBondContact O-CG2 3.34Å; W117-V122 PolarHBondContact O-N 3.12Å; A120-V122 HydrophobicContact CB-CG2 4.24Å; V122-T126 WeakPolarHBondContact CA-O 3.3Å; V122-M127 HydrophobicContact CB-CG 4.2Å; V122-M127 HydrophobicContact CG1-CG 4.41Å; V122-M127 HydrophobicContact CG2-CG 3.65Å; V122-M127 HydrophobicContact CG2-SD 3.83Å; V122-V136 HydrophobicContact CG2-CG1 3.84Å; V122-V150 HydrophobicContact CG1-CB 4.41Å; V122-V150 HydrophobicContact CG1-CG2 3.74Å; V122-V150 HydrophobicContact CG2-CG2 3.94Å
123Q82.3Confident82Confident144 Ų14481.2 Ų81.267%0.67347%0.466SS*.BIsolated β-bridgetrans-124.7126.1175.8-156.8162.131.100110F125 T126Q123-F125 VanDerWaalsContact C-N 3.29Å; Q123-F125 PolarHBondContact O-N 2.99Å; Q123-T126 PolarHBondContact N-O 2.82Å; Q123-T126 WeakPolarHBondContact O-CA 3.48Å; Q123-T126 PolarHBondContact O-N 2.84Å; Q123-T126 PolarHBondContact O-OG1 3.29Å
124N83.1Confident81.9Confident147 Ų14780.6 Ų80.679%0.78647%0.466SS*.THydrogen-bonded Turntrans49.147-174.1-60.7-19.6000113.1T126N124-T126 PolarHBondContact O-N 2.95Å; N124-T126 VanDerWaalsContact O-N 3.15Å
125F82.5Confident81.9Confident125 Ų12582.2 Ų82.255%0.54847%0.471SS..THydrogen-bonded Turntrans59.414.8-174.2-54.1-94.8000115.3W117 Q123 R149 V150W117-F125 HydrophobicContact CE3-CE1 4.41Å; W117-F125 AromaticContact CH2-CD1 3.9Å; W117-F125 HydrophobicContact CH2-CD1 3.9Å; W117-F125 AromaticContact CH2-CE1 3.52Å; W117-F125 HydrophobicContact CH2-CE1 3.52Å; W117-F125 AromaticContact CZ3-CD1 3.88Å; W117-F125 HydrophobicContact CZ3-CD1 3.88Å; W117-F125 AromaticContact CZ3-CE1 3.38Å; W117-F125 HydrophobicContact CZ3-CE1 3.38Å; W117-F125 HydrophobicContact CZ3-CZ 4.16Å; Q123-F125 VanDerWaalsContact C-N 3.29Å; Q123-F125 PolarHBondContact O-N 2.99Å; F125-R149 CarbonylContact O-C 3.34Å; F125-R149 WeakPolarHBondContact O-CA 3.28Å; F125-V150 PolarHBondContact O-N 3.01Å
126T80.7Confident81.7Confident52 Ų5277.6 Ų77.632%0.31945%0.447SS..BIsolated β-bridgetrans-115.3140.9176.266.10000112V122 Q123 N124 G148 R149V122-T126 WeakPolarHBondContact CA-O 3.3Å; Q123-T126 PolarHBondContact N-O 2.82Å; Q123-T126 WeakPolarHBondContact O-CA 3.48Å; Q123-T126 PolarHBondContact O-N 2.84Å; Q123-T126 PolarHBondContact O-OG1 3.29Å; N124-T126 PolarHBondContact O-N 2.95Å; N124-T126 VanDerWaalsContact O-N 3.15Å; T126-G148 CarbonylContact C-O 3.57Å; T126-G148 WeakPolarHBondContact CA-O 3.47Å; T126-R149 HydrophobicContact CG2-CG 4.23Å
127M82.1Confident81.4Confident22 Ų2279.1 Ų79.111%0.10846%0.455CS..  trans-112.7117.5168.5-68.5-177.274.900108.9A120 V122 A130 V136 V144 G148 V150A120-M127 WeakPolarHBondContact O-CE 3.33Å; V122-M127 HydrophobicContact CB-CG 4.2Å; V122-M127 HydrophobicContact CG1-CG 4.41Å; V122-M127 HydrophobicContact CG2-CG 3.65Å; V122-M127 HydrophobicContact CG2-SD 3.83Å; M127-A130 HydrophobicContact CB-CB 3.8Å; M127-A130 HydrophobicContact CE-CB 4.12Å; M127-A130 HydrophobicContact SD-CB 4.34Å; M127-V136 HydrophobicContact SD-CB 4.42Å; M127-V136 HydrophobicContact SD-CG1 3.98Å; M127-V136 HydrophobicContact SD-CG2 3.92Å; M127-V144 HydrophobicContact CB-CG2 4.49Å; M127-V144 HydrophobicContact CG-CG2 4.44Å; M127-V144 HydrophobicContact SD-CG2 3.48Å; M127-V144 WeakPolarHBondContact SD-CG2 3.48Å; M127-G148 PolarHBondContact N-O 3.25Å; M127-V150 HydrophobicContact CG-CG2 3.86Å; M127-V150 HydrophobicContact SD-CG2 3.98Å
128K73.1Confident80.9Confident191 Ų19182 Ų8283%0.8349%0.491SS*.THydrogen-bonded Turntrans-76.7137.8171-64.9178.2-178.91750108.7A130K128-A130 VanDerWaalsContact C-N 3.31Å; K128-A130 PolarHBondContact O-N 2.99Å
129A68.6Low80.7Confident112 Ų11278.4 Ų78.493%0.92647%0.465SS*.THydrogen-bonded Turntrans63.614179.100000118.1
130A74.8Confident80Confident28 Ų2877.1 Ų77.123%0.23146%0.46CS..PPolyproline II helixtrans-82.3148169.100000112.2M127 K128 V144M127-A130 HydrophobicContact CB-CB 3.8Å; M127-A130 HydrophobicContact CE-CB 4.12Å; M127-A130 HydrophobicContact SD-CB 4.34Å; K128-A130 VanDerWaalsContact C-N 3.31Å; K128-A130 PolarHBondContact O-N 2.99Å; A130-V144 HydrophobicContact CB-CB 4.4Å; A130-V144 HydrophobicContact CB-CG1 4.06Å; A130-V144 HydrophobicContact CB-CG2 3.95Å
131V77.3Confident80.1Confident105 Ų10578.1 Ų78.164%0.63646%0.462SS*.PPolyproline II helixtrans-80.8128.8-178.8179.60000110.2G133 S134V131-G133 PolarHBondContact O-N 3.05Å; V131-S134 WeakPolarHBondContact O-CB 3.47Å; V131-S134 PolarHBondContact O-N 3.21Å; V131-S134 PolarHBondContact O-OG 3.07Å
132P80Confident80.4Confident78 Ų7878.4 Ų78.451%0.50645%0.447SS..THydrogen-bonded Turntrans-52.2128.2175.3-30.538.1000113
133G76.4Confident80.7Confident34 Ų3477.9 Ų77.935%0.35145%0.445SS..THydrogen-bonded Turntrans90.6-1.7-176.700000115.3V131 V144V131-G133 PolarHBondContact O-N 3.05Å; G133-V144 PolarHBondContact N-O 2.87Å
134S84.6Confident81.1Confident40 Ų4071 Ų7128%0.2841%0.412SS..PPolyproline II helixtrans-74.2136.3172.568.60000112.2V131 V143 V144V131-S134 WeakPolarHBondContact O-CB 3.47Å; V131-S134 PolarHBondContact O-N 3.21Å; V131-S134 PolarHBondContact O-OG 3.07Å; S134-V143 WeakPolarHBondContact O-CA 3.17Å; S134-V144 PolarHBondContact O-N 3.27Å
135E85.6Confident81.2Confident120 Ų12064.4 Ų64.456%0.56138%0.377SS*.EExtended strand (participates in β ladder)trans-58.4141.7164.3-68.9-176-160.700110.5W142 V143E135-W142 CarbonylContact C-O 3.49Å; E135-W142 WeakPolarHBondContact CA-O 3.46Å; E135-V143 HydrophobicContact CG-CG2 4.12Å
136V83.8Confident81.1Confident4 Ų465 Ų652%0.02438%0.38CS..EExtended strand (participates in β ladder)trans-73.5127.5177.71780000109A120 V122 M127 G138 C139 W142 V144 V150A120-V136 HydrophobicContact CB-CG1 3.9Å; V122-V136 HydrophobicContact CG2-CG1 3.84Å; M127-V136 HydrophobicContact SD-CB 4.42Å; M127-V136 HydrophobicContact SD-CG1 3.98Å; M127-V136 HydrophobicContact SD-CG2 3.92Å; V136-G138 PolarHBondContact O-N 2.95Å; V136-C139 HydrophobicContact CB-CB 4.08Å; V136-C139 HydrophobicContact CG1-CB 4.05Å; V136-C139 CarbonylContact O-C 3.53Å; V136-C139 PolarHBondContact O-N 2.65Å; V136-W142 HydrophobicContact CB-CB 4.23Å; V136-W142 HydrophobicContact CG2-CB 4.07Å; V136-W142 PolarHBondContact N-O 2.92Å; V136-V144 HydrophobicContact CG2-CG2 3.99Å; V136-V150 HydrophobicContact CG2-CB 4.43Å; V136-V150 HydrophobicContact CG2-CG1 3.84Å; V136-V150 HydrophobicContact CG2-CG2 3.82Å
137P80.6Confident81.1Confident79 Ų7967.9 Ų67.951%0.51339%0.388SS..THydrogen-bonded Turntrans-50.9130.5178.4-28.735.7000112.3A120 C139A120-P137 HydrophobicContact CB-CB 4.18Å; A120-P137 VanDerWaalsContact CB-O 3.26Å; A120-P137 WeakPolarHBondContact CB-O 3.38Å; P137-C139 PolarHBondContact O-N 3.37Å
138G78Confident81Confident78 Ų7867.6 Ų67.680%0.80439%0.391SS*.THydrogen-bonded Turntrans76.2-30.5-176.500000115.7V136 K140V136-G138 PolarHBondContact O-N 2.95Å; G138-K140 PolarHBondContact O-N 2.87Å
139C80.4Confident81.7Confident9 Ų966.3 Ų66.36%0.06138%0.381CS..EExtended strand (participates in β ladder)trans-98.477.3-177.4-73.20000112.2S116 V136 P137 W142S116-C139 VanDerWaalsContact CB-SG 3.52Å; V136-C139 HydrophobicContact CB-CB 4.08Å; V136-C139 HydrophobicContact CG1-CB 4.05Å; V136-C139 CarbonylContact O-C 3.53Å; V136-C139 PolarHBondContact O-N 2.65Å; P137-C139 PolarHBondContact O-N 3.37Å; C139-W142 HydrophobicContact CB-CB 4.07Å; C139-W142 HydrophobicContact CB-CG 4.17Å; C139-W142 WeakPolarHBondContact O-CB 3.22Å; C139-W142 PolarHBondContact O-N 3.3Å
140K75.1Confident82.6Confident168 Ų16861.4 Ų61.473%0.7334%0.339SS*.EExtended strand (participates in β ladder)trans-59.1140.1173.4-146.4161.5-167.1164.60110.5G138 W142G138-K140 PolarHBondContact O-N 2.87Å; K140-W142 VanDerWaalsContact C-N 3.33Å
141D86.6Confident83.3Confident39 Ų3962 Ų6221%0.20934%0.339CS..EExtended strand (participates in β ladder)trans65.223.4-166.7-66.2-24.1000115.8V153 Q155 K168D141-V153 HydrophobicContact CB-CB 4.16Å; D141-V153 PolarHBondContact O-N 2.8Å; D141-Q155 PolarHBondContact OD2-NE2 3.49Å; D141-K168 IonicContact OD1-NZ 3.37Å; D141-K168 PolarHBondContact OD1-NZ 3.24Å; D141-K168 IonicContact OD2-NZ 3.11Å; D141-K168 PolarHBondContact OD2-NZ 3.09Å
142W89.3Confident83.9Confident58 Ų5859.5 Ų59.522%0.2233%0.325CS..EExtended strand (participates in β ladder)trans-124.8139.5162.3-65.382.5000111L113 W117 E135 V136 C139 K140 V150 L151 P152L113-W142 HydrophobicContact CD1-CZ2 4.19Å; W117-W142 AromaticContact CH2-CH2 3.8Å; W117-W142 HydrophobicContact CH2-CH2 3.8Å; W117-W142 HydrophobicContact CH2-CZ2 4.15Å; W117-W142 HydrophobicContact CH2-CZ3 4.02Å; W117-W142 AromaticContact CZ2-CD2 3.75Å; W117-W142 HydrophobicContact CZ2-CD2 3.75Å; W117-W142 AromaticContact CZ2-CE2 3.76Å; W117-W142 AromaticContact CZ2-CE3 3.63Å; W117-W142 HydrophobicContact CZ2-CE3 3.63Å; W117-W142 AromaticContact CZ2-CH2 3.54Å; W117-W142 HydrophobicContact CZ2-CH2 3.54Å; W117-W142 AromaticContact CZ2-CZ2 3.67Å; W117-W142 HydrophobicContact CZ2-CZ2 3.67Å; W117-W142 AromaticContact CZ2-CZ3 3.51Å; W117-W142 HydrophobicContact CZ2-CZ3 3.51Å; E135-W142 CarbonylContact C-O 3.49Å; E135-W142 WeakPolarHBondContact CA-O 3.46Å; V136-W142 HydrophobicContact CB-CB 4.23Å; V136-W142 HydrophobicContact CG2-CB 4.07Å; V136-W142 PolarHBondContact N-O 2.92Å; C139-W142 HydrophobicContact CB-CB 4.07Å; C139-W142 HydrophobicContact CB-CG 4.17Å; C139-W142 WeakPolarHBondContact O-CB 3.22Å; C139-W142 PolarHBondContact O-N 3.3Å; K140-W142 VanDerWaalsContact C-N 3.33Å; W142-V150 HydrophobicContact CB-CG1 4.16Å; W142-V150 HydrophobicContact CD2-CG1 4.34Å; W142-V150 HydrophobicContact CE3-CG1 3.67Å; W142-V150 HydrophobicContact CZ3-CG1 4.44Å; W142-L151 WeakPolarHBondContact CA-O 3.47Å; W142-L151 VanDerWaalsContact CE3-C 3.42Å; W142-P152 HydrophobicContact CD2-CB 4.2Å; W142-P152 HydrophobicContact CE3-CB 3.82Å; W142-P152 HydrophobicContact CE3-CG 4.45Å; W142-P152 VanDerWaalsContact CE3-N 3.34Å; W142-P152 HydrophobicContact CH2-CB 3.81Å; W142-P152 HydrophobicContact CH2-CG 4.22Å; W142-P152 HydrophobicContact CZ2-CB 4.15Å; W142-P152 HydrophobicContact CZ3-CB 3.63Å; W142-P152 HydrophobicContact CZ3-CG 3.92Å
143V90.4Very high84.4Confident3 Ų356.7 Ų56.72%0.01831%0.306CS..EExtended strand (participates in β ladder)trans-137.3145.6-172.5175.80000111.2S134 E135 L151 V153 S172S134-V143 WeakPolarHBondContact O-CA 3.17Å; E135-V143 HydrophobicContact CG-CG2 4.12Å; V143-L151 PolarHBondContact N-O 3.37Å; V143-L151 PolarHBondContact O-N 3.04Å; V143-V153 HydrophobicContact CB-CG2 4.24Å; V143-V153 HydrophobicContact CG2-CG2 3.48Å; V143-V153 VanDerWaalsContact CG2-CG2 3.48Å; V143-S172 VanDerWaalsContact CG1-OG 3.27Å; V143-S172 WeakPolarHBondContact CG1-OG 3.36Å
144V89.3Confident85Confident0 Ų058.8 Ų58.80%031%0.309CS..EExtended strand (participates in β ladder)trans-82.1128.7179.2-174.50000111.5M127 A130 G133 S134 V136M127-V144 HydrophobicContact CB-CG2 4.49Å; M127-V144 HydrophobicContact CG-CG2 4.44Å; M127-V144 HydrophobicContact SD-CG2 3.48Å; M127-V144 WeakPolarHBondContact SD-CG2 3.48Å; A130-V144 HydrophobicContact CB-CB 4.4Å; A130-V144 HydrophobicContact CB-CG1 4.06Å; A130-V144 HydrophobicContact CB-CG2 3.95Å; G133-V144 PolarHBondContact N-O 2.87Å; S134-V144 PolarHBondContact O-N 3.27Å; V136-V144 HydrophobicContact CG2-CG2 3.99Å
145S85.2Confident85.1Confident7 Ų762.1 Ų62.15%0.04932%0.32CS..  trans-76.8165.1176.4-173.90000113F147 G148 R149S145-F147 PolarHBondContact O-N 3.4Å; S145-G148 PolarHBondContact O-N 3.41Å; S145-R149 WeakPolarHBondContact CB-O 3.4Å; S145-R149 PolarHBondContact N-O 3.15Å
146K82.3Confident85.1Confident138 Ų13860.2 Ų60.260%0.631%0.313SS*.THydrogen-bonded Turntrans-49.4-29.7171.5-176.3176.9177.6-179.40113.7
147F79.9Confident85.2Confident112 Ų11269.3 Ų69.349%0.49135%0.347SS..THydrogen-bonded Turntrans-97.519.8-179.5-52.2-73.2000113.6S145 R149 R180S145-F147 PolarHBondContact O-N 3.4Å; F147-R149 PolarHBondContact O-N 2.97Å; F147-R180 HydrophobicContact CE2-CG 4.31Å; F147-R180 HydrophobicContact CZ-CG 4.24Å
148G80.4Confident85Confident17 Ų1768.2 Ų68.218%0.17534%0.34CS..SBendtrans69.8-1.2-178.700000115.3T126 M127 S145T126-G148 CarbonylContact C-O 3.57Å; T126-G148 WeakPolarHBondContact CA-O 3.47Å; M127-G148 PolarHBondContact N-O 3.25Å; S145-G148 PolarHBondContact O-N 3.41Å
149R86.1Confident84.6Confident164 Ų16472.1 Ų72.162%0.61934%0.338SS*.BIsolated β-bridgetrans-77136177.1-68.4-174.9-177.9178.12.7111.5F125 T126 S145 F147F125-R149 CarbonylContact O-C 3.34Å; F125-R149 WeakPolarHBondContact O-CA 3.28Å; T126-R149 HydrophobicContact CG2-CG 4.23Å; S145-R149 WeakPolarHBondContact CB-O 3.4Å; S145-R149 PolarHBondContact N-O 3.15Å; F147-R149 PolarHBondContact O-N 2.97Å
150V89Confident84Confident8 Ų881.1 Ų81.15%0.04838%0.376CS..EExtended strand (participates in β ladder)trans-77.1130174.1171.20000110.1W117 V122 F125 M127 V136 W142W117-V150 HydrophobicContact CZ2-CG1 4.32Å; V122-V150 HydrophobicContact CG1-CB 4.41Å; V122-V150 HydrophobicContact CG1-CG2 3.74Å; V122-V150 HydrophobicContact CG2-CG2 3.94Å; F125-V150 PolarHBondContact O-N 3.01Å; M127-V150 HydrophobicContact CG-CG2 3.86Å; M127-V150 HydrophobicContact SD-CG2 3.98Å; V136-V150 HydrophobicContact CG2-CB 4.43Å; V136-V150 HydrophobicContact CG2-CG1 3.84Å; V136-V150 HydrophobicContact CG2-CG2 3.82Å; W142-V150 HydrophobicContact CB-CG1 4.16Å; W142-V150 HydrophobicContact CD2-CG1 4.34Å; W142-V150 HydrophobicContact CE3-CG1 3.67Å; W142-V150 HydrophobicContact CZ3-CG1 4.44Å
151L88.1Confident83.9Confident42 Ų4276.1 Ų76.122%0.2237%0.372CS..EExtended strand (participates in β ladder)trans-126.8145.6-179.1-61.6179.2000111.2W142 V143 P171 I178W142-L151 WeakPolarHBondContact CA-O 3.47Å; W142-L151 VanDerWaalsContact CE3-C 3.42Å; V143-L151 PolarHBondContact N-O 3.37Å; V143-L151 PolarHBondContact O-N 3.04Å; L151-P171 HydrophobicContact CB-CG 3.75Å; L151-P171 HydrophobicContact CD1-CB 4.11Å; L151-P171 HydrophobicContact CD1-CG 3.91Å; L151-P171 HydrophobicContact CG-CG 4.47Å; L151-I178 HydrophobicContact CD1-CD1 4.32Å
152P90.8Very high82.9Confident52 Ų5280.4 Ų80.434%0.33841%0.405SS..EExtended strand (participates in β ladder)trans-78.614217630.7-31.3000111.5W142 L154 P171W142-P152 HydrophobicContact CD2-CB 4.2Å; W142-P152 HydrophobicContact CE3-CB 3.82Å; W142-P152 HydrophobicContact CE3-CG 4.45Å; W142-P152 VanDerWaalsContact CE3-N 3.34Å; W142-P152 HydrophobicContact CH2-CB 3.81Å; W142-P152 HydrophobicContact CH2-CG 4.22Å; W142-P152 HydrophobicContact CZ2-CB 4.15Å; W142-P152 HydrophobicContact CZ3-CB 3.63Å; W142-P152 HydrophobicContact CZ3-CG 3.92Å; P152-L154 HydrophobicContact CB-CD2 4.5Å; P152-L154 HydrophobicContact CG-CD2 4.33Å; P152-P171 VanDerWaalsContact O-CD 3.28Å; P152-P171 WeakPolarHBondContact O-CD 3.11Å; P152-P171 WeakPolarHBondContact O-CG 3.18Å
153V89.6Confident81.9Confident18 Ų1885.7 Ų85.711%0.10943%0.429CS..  trans-85.7113.8168.2179.70000108.1D141 V143 K168 D170D141-V153 HydrophobicContact CB-CB 4.16Å; D141-V153 PolarHBondContact O-N 2.8Å; V143-V153 HydrophobicContact CB-CG2 4.24Å; V143-V153 HydrophobicContact CG2-CG2 3.48Å; V143-V153 VanDerWaalsContact CG2-CG2 3.48Å; V153-K168 HydrophobicContact CG1-CB 4.25Å; V153-K168 HydrophobicContact CG1-CD 4.49Å; V153-D170 HydrophobicContact CG1-CB 4.22Å; V153-D170 HydrophobicContact CG2-CB 4.21Å
154L89Confident81.3Confident79 Ų7988.8 Ų88.841%0.41446%0.455SS..EExtended strand (participates in β ladder)trans-81.4133.5-175.5-56.9179.4000110.6P152 L156 Y169P152-L154 HydrophobicContact CB-CD2 4.5Å; P152-L154 HydrophobicContact CG-CD2 4.33Å; L154-L156 HydrophobicContact CB-CD2 3.87Å; L154-L156 HydrophobicContact CB-CG 4.02Å; L154-L156 HydrophobicContact CD1-CD2 4.36Å; L154-Y169 HydrophobicContact CB-CD1 4.5Å; L154-Y169 HydrophobicContact CD1-CD1 4.31Å; L154-Y169 PolarHBondContact N-O 3.4Å; L154-Y169 PolarHBondContact O-N 3.4Å
155Q88.1Confident80.9Confident110 Ų11097.9 Ų97.951%0.51449%0.489SS..EExtended strand (participates in β ladder)trans-97.487.6172.8-60.5-15824.700109.7D141 T166 K168D141-Q155 PolarHBondContact OD2-NE2 3.49Å; Q155-T166 HydrophobicContact CB-CG2 3.85Å; Q155-K168 HydrophobicContact CG-CG 4.36Å
156L85.8Confident81Confident79 Ų79101.6 Ų101.641%0.41451%0.512SS..EExtended strand (participates in β ladder)trans-87.4135.3-171.2-58.9-179.8000111.9L154 C158 T166 V167 Y169L154-L156 HydrophobicContact CB-CD2 3.87Å; L154-L156 HydrophobicContact CB-CG 4.02Å; L154-L156 HydrophobicContact CD1-CD2 4.36Å; L156-C158 PolarHBondContact O-N 2.9Å; L156-T166 CarbonylContact O-C 3.57Å; L156-T166 WeakPolarHBondContact O-CA 3.46Å; L156-V167 PolarHBondContact N-O 3.18Å; L156-V167 PolarHBondContact O-N 3.18Å; L156-Y169 HydrophobicContact CD1-CG 4.09Å
157R84.4Confident81.1Confident195 Ų19598 Ų9874%0.73650%0.502SS*.EExtended strand (participates in β ladder)trans-86.295.3176.256.2-175.1-70.2175.4-2.5111.3
158C76.5Confident81.5Confident56 Ų5698.3 Ų98.338%0.37850%0.503SS..EExtended strand (participates in β ladder)trans-84.1121.4177.2-61.40000110.9L156 K160 R165 V167L156-C158 PolarHBondContact O-N 2.9Å; C158-K160 PolarHBondContact O-N 2.86Å; C158-R165 PolarHBondContact N-O 2.91Å; C158-R165 PolarHBondContact O-N 2.92Å; C158-V167 HydrophobicContact CB-CG2 4.1Å
159Q71.1Confident81.8Confident161 Ų161101.3 Ų101.375%0.75251%0.509SS*.EExtended strand (participates in β ladder)trans-88.597.4168-60.3-163.960.600108.9
160K67.1Low81.8Confident198 Ų19894.1 Ų94.186%0.86148%0.483SS*.  trans-119.589.1173.5-168.5166-175.7170.70109.2C158C158-K160 PolarHBondContact O-N 2.86Å
161G72.7Confident81.4Confident62 Ų6294.6 Ų94.664%0.63949%0.486SS*.SBendtrans81.6-169.9-166.500000112.5K163G161-K163 PolarHBondContact O-N 3.25Å
162S66.8Low80.9Confident129 Ų12993.1 Ų93.190%0.90248%0.479SS*.SBendtrans-68.712-172.156.60000116.3
163K67.6Low80.4Confident170 Ų17097.7 Ų97.774%0.73949%0.494SS*.SBendtrans-132.8112.6179.2-65-177.8-179.2178.90109.4G161 R165G161-K163 PolarHBondContact O-N 3.25Å; K163-R165 PolarHBondContact O-N 3.47Å
164A78.1Confident79.7Confident67 Ų67102.3 Ų102.355%0.55451%0.51SS*.EExtended strand (participates in β ladder)trans-65.7128.5170.300000109.7
165R81.4Confident78.5Confident191 Ų191100.2 Ų100.272%0.72150%0.502SS*.EExtended strand (participates in β ladder)trans-123.7129.3176.6-179178.1178.4-177.80.9110C158 K163C158-R165 PolarHBondContact N-O 2.91Å; C158-R165 PolarHBondContact O-N 2.92Å; K163-R165 PolarHBondContact O-N 3.47Å
166T86.1Confident77.2Confident85 Ų85103.1 Ų103.152%0.52152%0.515SS..EExtended strand (participates in β ladder)trans-73.2130.9171.2-43.50000110.3Q155 L156Q155-T166 HydrophobicContact CB-CG2 3.85Å; L156-T166 CarbonylContact O-C 3.57Å; L156-T166 WeakPolarHBondContact O-CA 3.46Å
167V85.3Confident76Confident64 Ų64105.6 Ų105.639%0.38853%0.529SS..EExtended strand (participates in β ladder)trans-121.4130.3177.2179.40000108L156 C158 Y169L156-V167 PolarHBondContact N-O 3.18Å; L156-V167 PolarHBondContact O-N 3.18Å; C158-V167 HydrophobicContact CB-CG2 4.1Å; V167-Y169 PolarHBondContact O-N 3.18Å
168K87.6Confident75Confident118 Ų11899.5 Ų99.551%0.51351%0.51SS..EExtended strand (participates in β ladder)trans-79.1117.3172.4-67.3-154.6171.8-159.70109.6D141 V153 Q155D141-K168 IonicContact OD1-NZ 3.37Å; D141-K168 PolarHBondContact OD1-NZ 3.24Å; D141-K168 IonicContact OD2-NZ 3.11Å; D141-K168 PolarHBondContact OD2-NZ 3.09Å; V153-K168 HydrophobicContact CG1-CB 4.25Å; V153-K168 HydrophobicContact CG1-CD 4.49Å; Q155-K168 HydrophobicContact CG-CG 4.36Å
169Y86.3Confident74.2Confident80 Ų80107.9 Ų107.931%0.31453%0.534SS..EExtended strand (participates in β ladder)trans-104106.3174.2178.8-94.4000109.2L154 L156 V167 P171 Y174L154-Y169 HydrophobicContact CB-CD1 4.5Å; L154-Y169 HydrophobicContact CD1-CD1 4.31Å; L154-Y169 PolarHBondContact N-O 3.4Å; L154-Y169 PolarHBondContact O-N 3.4Å; L156-Y169 HydrophobicContact CD1-CG 4.09Å; V167-Y169 PolarHBondContact O-N 3.18Å; Y169-P171 HydrophobicContact CE1-CB 4.2Å; Y169-Y174 AromaticContact CD2-CD2 3.86Å; Y169-Y174 HydrophobicContact CD2-CD2 3.86Å; Y169-Y174 AromaticContact CD2-CE2 3.64Å; Y169-Y174 HydrophobicContact CD2-CE2 3.64Å; Y169-Y174 AromaticContact CE2-CD2 3.26Å; Y169-Y174 HydrophobicContact CE2-CD2 3.26Å; Y169-Y174 AromaticContact CE2-CE2 3.48Å; Y169-Y174 HydrophobicContact CE2-CE2 3.48Å; Y169-Y174 VanDerWaalsContact CE2-CE2 3.48Å; Y169-Y174 AromaticContact CE2-CG 3.94Å; Y169-Y174 HydrophobicContact CE2-CG 3.94Å; Y169-Y174 AromaticContact CZ-CD2 3.67Å
170D86.4Confident73.5Confident12 Ų12107.5 Ų107.56%0.06453%0.525CS..  trans-96110.3176.1173.8-4.3000109.3V153 S172 K173 Y174V153-D170 HydrophobicContact CG1-CB 4.22Å; V153-D170 HydrophobicContact CG2-CB 4.21Å; D170-S172 PolarHBondContact O-N 3.34Å; D170-S172 VanDerWaalsContact OD1-CB 3.3Å; D170-S172 WeakPolarHBondContact OD1-CB 3.49Å; D170-S172 PolarHBondContact OD1-N 2.86Å; D170-S172 PolarHBondContact OD1-OG 3.23Å; D170-S172 PolarHBondContact OD2-OG 3.2Å; D170-K173 HydrophobicContact CB-CD 4.25Å; D170-K173 HydrophobicContact CB-CG 4.33Å; D170-K173 PolarHBondContact O-N 3Å; D170-K173 IonicContact OD2-NZ 2.71Å; D170-K173 PolarHBondContact OD2-NZ 3.1Å; D170-Y174 VanDerWaalsContact O-CD2 3.26Å; D170-Y174 WeakPolarHBondContact O-CD2 3.31Å
171P80Confident72.9Confident19 Ų19104.6 Ų104.612%0.12352%0.519CS..G310 helixtrans-64.9-24.6-176.227.2-35000113.2L151 P152 Y169 K173 Y174 C175 I178L151-P171 HydrophobicContact CB-CG 3.75Å; L151-P171 HydrophobicContact CD1-CB 4.11Å; L151-P171 HydrophobicContact CD1-CG 3.91Å; L151-P171 HydrophobicContact CG-CG 4.47Å; P152-P171 VanDerWaalsContact O-CD 3.28Å; P152-P171 WeakPolarHBondContact O-CD 3.11Å; P152-P171 WeakPolarHBondContact O-CG 3.18Å; Y169-P171 HydrophobicContact CE1-CB 4.2Å; P171-K173 VanDerWaalsContact C-N 3.26Å; P171-K173 PolarHBondContact O-N 3.48Å; P171-Y174 CarbonylContact O-C 3.49Å; P171-Y174 PolarHBondContact O-N 3.49Å; P171-Y174 VanDerWaalsContact O-N 3.13Å; P171-C175 PolarHBondContact O-N 2.84Å; P171-I178 HydrophobicContact CB-CD1 4.21Å; P171-I178 WeakPolarHBondContact O-CD1 3.33Å
172S78.3Confident71.5Confident10 Ų10104.6 Ų104.67%0.0750%0.504CS..G310 helixtrans-62.5-35.4178.7730000112.1V143 D170 Y174 C175V143-S172 VanDerWaalsContact CG1-OG 3.27Å; V143-S172 WeakPolarHBondContact CG1-OG 3.36Å; D170-S172 PolarHBondContact O-N 3.34Å; D170-S172 VanDerWaalsContact OD1-CB 3.3Å; D170-S172 WeakPolarHBondContact OD1-CB 3.49Å; D170-S172 PolarHBondContact OD1-N 2.86Å; D170-S172 PolarHBondContact OD1-OG 3.23Å; D170-S172 PolarHBondContact OD2-OG 3.2Å; S172-Y174 VanDerWaalsContact C-N 3.26Å; S172-Y174 PolarHBondContact O-N 2.85Å; S172-C175 VanDerWaalsContact O-CB 3.3Å; S172-C175 WeakPolarHBondContact O-CB 3.39Å; S172-C175 PolarHBondContact O-N 3.25Å; S172-C175 PolarHBondContact O-SG 3.13Å
173K80.5Confident70.8Confident148 Ų148109.2 Ų109.264%0.64350%0.501SS*.G310 helixtrans-72.3-19.3178.7-65.3-176.4172.176.90113D170 P171D170-K173 HydrophobicContact CB-CD 4.25Å; D170-K173 HydrophobicContact CB-CG 4.33Å; D170-K173 PolarHBondContact O-N 3Å; D170-K173 IonicContact OD2-NZ 2.71Å; D170-K173 PolarHBondContact OD2-NZ 3.1Å; P171-K173 VanDerWaalsContact C-N 3.26Å; P171-K173 PolarHBondContact O-N 3.48Å
174Y73.9Confident69.7Low115 Ų115106.7 Ų106.745%0.45150%0.501SS..G310 helixtrans-107.623.8176.6-57.7-75.6000112.3Y169 D170 P171 S172 H176 N177 I178Y169-Y174 AromaticContact CD2-CD2 3.86Å; Y169-Y174 HydrophobicContact CD2-CD2 3.86Å; Y169-Y174 AromaticContact CD2-CE2 3.64Å; Y169-Y174 HydrophobicContact CD2-CE2 3.64Å; Y169-Y174 AromaticContact CE2-CD2 3.26Å; Y169-Y174 HydrophobicContact CE2-CD2 3.26Å; Y169-Y174 AromaticContact CE2-CE2 3.48Å; Y169-Y174 HydrophobicContact CE2-CE2 3.48Å; Y169-Y174 VanDerWaalsContact CE2-CE2 3.48Å; Y169-Y174 AromaticContact CE2-CG 3.94Å; Y169-Y174 HydrophobicContact CE2-CG 3.94Å; Y169-Y174 AromaticContact CZ-CD2 3.67Å; D170-Y174 VanDerWaalsContact O-CD2 3.26Å; D170-Y174 WeakPolarHBondContact O-CD2 3.31Å; P171-Y174 CarbonylContact O-C 3.49Å; P171-Y174 PolarHBondContact O-N 3.49Å; P171-Y174 VanDerWaalsContact O-N 3.13Å; S172-Y174 VanDerWaalsContact C-N 3.26Å; S172-Y174 PolarHBondContact O-N 2.85Å; Y174-H176 PolarHBondContact O-N 2.92Å; Y174-N177 PolarHBondContact O-N 2.9Å; Y174-I178 PolarHBondContact O-N 2.94Å
175C63.8Low68.2Low36 Ų36109.2 Ų109.224%0.24351%0.505CS..THydrogen-bonded Turntrans-61.4-14.6-175.861.80000115.4P171 S172 N177 I178P171-C175 PolarHBondContact O-N 2.84Å; S172-C175 VanDerWaalsContact O-CB 3.3Å; S172-C175 WeakPolarHBondContact O-CB 3.39Å; S172-C175 PolarHBondContact O-N 3.25Å; S172-C175 PolarHBondContact O-SG 3.13Å; C175-N177 VanDerWaalsContact C-N 3.29Å; C175-I178 HydrophobicContact CB-CD1 4.44Å; C175-I178 PolarHBondContact O-N 2.83Å
176H62.1Low66.6Low171 Ų171105 Ų10579%0.79250%0.502SS*.THydrogen-bonded Turntrans-69.8-24.4169.3-63.2-78.8000113.5Y174Y174-H176 PolarHBondContact O-N 2.92Å
177N60.2Low64.6Low131 Ų131105.1 Ų105.170%0.70150%0.499SS*.THydrogen-bonded Turntrans-97.6-8.1177.8-621.9000112.1Y174 C175 R179Y174-N177 PolarHBondContact O-N 2.9Å; C175-N177 VanDerWaalsContact C-N 3.29Å; N177-R179 PolarHBondContact O-N 3.1Å
178I63.4Low63Low66 Ų66109.7 Ų109.734%0.33852%0.517SS..  trans-77.294.4173.9-60.3179.9000108.1L151 P171 Y174 C175 R180L151-I178 HydrophobicContact CD1-CD1 4.32Å; P171-I178 HydrophobicContact CB-CD1 4.21Å; P171-I178 WeakPolarHBondContact O-CD1 3.33Å; Y174-I178 PolarHBondContact O-N 2.94Å; C175-I178 HydrophobicContact CB-CD1 4.44Å; C175-I178 PolarHBondContact O-N 2.83Å; I178-R180 PolarHBondContact O-N 2.81Å
179R59.1Low61.3Low232 Ų232110.2 Ų110.288%0.87553%0.53SS*.  trans-56.9132.8162.3-66.6-175.1178.6-173.2-0.9108.4N177 L181N177-R179 PolarHBondContact O-N 3.1Å; R179-L181 PolarHBondContact O-N 3.17Å
180R56.9Low59.7Low153 Ų153110.4 Ų110.458%0.57754%0.536SS*.  trans-70120.6163-79.1170.358178.4-3.6107F147 I178 D182F147-R180 HydrophobicContact CE2-CG 4.31Å; F147-R180 HydrophobicContact CZ-CG 4.24Å; I178-R180 PolarHBondContact O-N 2.81Å; R180-D182 IonicContact CZ-OD1 2.9Å; R180-D182 IonicContact CZ-OD2 2.67Å; R180-D182 IonicContact NE-OD1 2.99Å; R180-D182 PolarHBondContact NE-OD1 2.83Å; R180-D182 IonicContact NE-OD2 2.63Å; R180-D182 PolarHBondContact NE-OD2 3.46Å; R180-D182 IonicContact NH2-OD1 2.59Å; R180-D182 PolarHBondContact NH2-OD1 3.21Å; R180-D182 IonicContact NH2-OD2 2.66Å; R180-D182 PolarHBondContact NH2-OD2 2.84Å; R180-D182 PolarHBondContact O-N 2.95Å
181L53.5Low58.2Low138 Ų138112.3 Ų112.372%0.72355%0.55SS**  trans-72.383.2155.5-73.4162.7000106.6R179 R183R179-L181 PolarHBondContact O-N 3.17Å; L181-R183 PolarHBondContact O-N 3.26Å
182D44.9Very low57Low61 Ų61117.7 Ų117.733%0.32658%0.583SS.*  trans-78.7112.6172.1-87.7-10.5000108.2R180 T184 D185R180-D182 IonicContact CZ-OD1 2.9Å; R180-D182 IonicContact CZ-OD2 2.67Å; R180-D182 IonicContact NE-OD1 2.99Å; R180-D182 PolarHBondContact NE-OD1 2.83Å; R180-D182 IonicContact NE-OD2 2.63Å; R180-D182 PolarHBondContact NE-OD2 3.46Å; R180-D182 IonicContact NH2-OD1 2.59Å; R180-D182 PolarHBondContact NH2-OD1 3.21Å; R180-D182 IonicContact NH2-OD2 2.66Å; R180-D182 PolarHBondContact NH2-OD2 2.84Å; R180-D182 PolarHBondContact O-N 2.95Å; D182-T184 PolarHBondContact O-N 3.32Å; D182-D185 PolarHBondContact O-N 2.83Å
183R50.5Low56Low226 Ų226123 Ų12385%0.85362%0.615SS**THydrogen-bonded Turntrans-68.434179.6-65.9179.5157.6-153.7-7.1113.9L181 D185L181-R183 PolarHBondContact O-N 3.26Å; R183-D185 CarbonylContact C-O 3.57Å
184T45.8Very low54.9Low118 Ų118121 Ų12172%0.72461%0.608SS**THydrogen-bonded Turntrans-113.8-29173.4450000110.9D182D182-T184 PolarHBondContact O-N 3.32Å
185D45.5Very low54.1Low119 Ų119120.6 Ų120.664%0.63661%0.613SS**SBendtrans-65.9137148.9-61.6-42.8000106.9D182 R183 D187D182-D185 PolarHBondContact O-N 2.83Å; R183-D185 CarbonylContact C-O 3.57Å; D185-D187 PolarHBondContact O-N 2.8Å
186P47.6Very low53.5Low102 Ų102124.3 Ų124.366%0.66264%0.635SS**  trans-64.6108.616028.3-29.2000106.4E188P186-E188 VanDerWaalsContact C-N 3.34Å; P186-E188 PolarHBondContact O-N 2.62Å
187D44.9Very low53.2Low88 Ų88127.3 Ų127.347%0.47164%0.639SS.*  trans-47.8112.5149.3-84.2-45.5000104.7D185 T189D185-D187 PolarHBondContact O-N 2.8Å; D187-T189 VanDerWaalsContact C-N 3.27Å; D187-T189 PolarHBondContact O-N 3Å
188E51.1Low52.7Low161 Ų161129.5 Ų129.575%0.75265%0.645SS**  trans-62.198.9173.4-172.6166.2-144.600105.2P186 L190P186-E188 VanDerWaalsContact C-N 3.34Å; P186-E188 PolarHBondContact O-N 2.62Å; E188-L190 HydrophobicContact CG-CD2 4.05Å; E188-L190 PolarHBondContact O-N 3.11Å
189T51.9Low52.4Low128 Ų128131.4 Ų131.479%0.78566%0.659SS**  trans-74.275.5-176.551.20000107.3D187 S191D187-T189 VanDerWaalsContact C-N 3.27Å; D187-T189 PolarHBondContact O-N 3Å; T189-S191 PolarHBondContact O-N 3.05Å
190L53.6Low52.2Low84 Ų84129.9 Ų129.944%0.4466%0.662SS.*  trans-48.4112.1173.9-65.5179000106.3E188 Q194E188-L190 HydrophobicContact CG-CD2 4.05Å; E188-L190 PolarHBondContact O-N 3.11Å; L190-Q194 VanDerWaalsContact CA-OE1 3.32Å; L190-Q194 HydrophobicContact CB-CB 3.96Å; L190-Q194 HydrophobicContact CD2-CB 4.12Å
191S55.7Low52.2Low52 Ų52124 Ų12436%0.36465%0.649SS.*  trans-58.5161-179.250.40000108.7T189 T193 Q194 L195T189-S191 PolarHBondContact O-N 3.05Å; S191-T193 PolarHBondContact O-N 2.93Å; S191-T193 PolarHBondContact OG-OG1 2.97Å; S191-Q194 WeakPolarHBondContact O-CA 3.49Å; S191-Q194 PolarHBondContact O-N 3.29Å; S191-L195 PolarHBondContact O-N 2.89Å
192V53Low52.9Low133 Ų133119.3 Ų119.381%0.80663%0.634SS**G310 helixtrans-57.2-24.9-179.9-176.70000111.4
193T57.9Low53.9Low122 Ų122122 Ų12275%0.74865%0.648SS**G310 helixtrans-69.5-24.7170.952.10000115.6S191S191-T193 PolarHBondContact O-N 2.93Å; S191-T193 PolarHBondContact OG-OG1 2.97Å
194Q58.1Low55Low105 Ų105116.1 Ų116.149%0.49163%0.634SS.*G310 helixtrans-92.7-6.1177.9-70.4176.6-37.100113.3L190 S191 T196L190-Q194 VanDerWaalsContact CA-OE1 3.32Å; L190-Q194 HydrophobicContact CB-CB 3.96Å; L190-Q194 HydrophobicContact CD2-CB 4.12Å; S191-Q194 WeakPolarHBondContact O-CA 3.49Å; S191-Q194 PolarHBondContact O-N 3.29Å; Q194-T196 PolarHBondContact O-N 3.03Å
195L55.7Low56Low106 Ų106115.6 Ų115.656%0.55563%0.627SS**  trans-77.763170.7-69.6174.9000111.2S191 W197S191-L195 PolarHBondContact O-N 2.89Å; L195-W197 PolarHBondContact O-N 3.33Å
196T52.2Low57.1Low115 Ų115115.5 Ų115.571%0.70663%0.625SS**  trans-67.4113.5170.548.20000109.6Q194 Q198Q194-T196 PolarHBondContact O-N 3.03Å; T196-Q198 PolarHBondContact O-N 2.95Å
197W54.8Low58.4Low233 Ų233111.7 Ų111.788%0.88360%0.601SS**  trans-66.4102.8174.2-68.783.7000109.1L195 V199L195-W197 PolarHBondContact O-N 3.33Å; W197-V199 VanDerWaalsContact C-N 3.29Å; W197-V199 PolarHBondContact O-N 2.94Å
198Q51.4Low59.9Low178 Ų178109.8 Ų109.883%0.83259%0.588SS**  trans-65.991.1169.2-78.9-170.6-17.900109.7T196 E200T196-Q198 PolarHBondContact O-N 2.95Å; Q198-E200 PolarHBondContact O-N 3.45Å
199V55.6Low60.9Low105 Ų105109.8 Ų109.864%0.63658%0.582SS**  trans-69.9122167.8-179.30000107.9W197 G201W197-V199 VanDerWaalsContact C-N 3.29Å; W197-V199 PolarHBondContact O-N 2.94Å; V199-G201 PolarHBondContact O-N 3.17Å
200E55.6Low61.8Low201 Ų201113.6 Ų113.694%0.93958%0.582SS**  trans-67.474.3171.2-69.4-173.1139.600110.6Q198Q198-E200 PolarHBondContact O-N 3.45Å
201G56.5Low62.6Low29 Ų29113.5 Ų113.530%0.29958%0.575SS.*  trans-92.2152.6168.600000111.6V199 R211V199-G201 PolarHBondContact O-N 3.17Å; G201-R211 PolarHBondContact O-NH1 3.18Å
202G67.7Low63.2Low40 Ų40113.4 Ų113.441%0.41258%0.583SS.*  trans-61.3-178.8172.600000113.3D204 S207 R211G202-D204 PolarHBondContact O-N 3.4Å; G202-S207 WeakPolarHBondContact O-CB 3.22Å; G202-R211 PolarHBondContact O-NH1 3.45Å
203D66.6Low64.4Low116 Ų116111.4 Ų111.462%0.6256%0.564SS**SBendtrans-79.711.3178.9-156.353.8000113.3K208D203-K208 VanDerWaalsContact CG-CE 3.4Å; D203-K208 WeakPolarHBondContact O-CE 3.43Å; D203-K208 PolarHBondContact O-NZ 3.34Å; D203-K208 WeakPolarHBondContact OD1-CE 3.32Å; D203-K208 IonicContact OD1-NZ 2.66Å; D203-K208 PolarHBondContact OD1-NZ 3.3Å; D203-K208 WeakPolarHBondContact OD2-CE 3.44Å; D203-K208 IonicContact OD2-NZ 3.22Å; D203-K208 PolarHBondContact OD2-NZ 2.88Å
204D73.9Confident65.1Low103 Ų103111.5 Ų111.555%0.55156%0.555SS**SBendtrans-67.7144.3179-40.1-80.4000111.4G202 I206 S207 K208G202-D204 PolarHBondContact O-N 3.4Å; D204-I206 PolarHBondContact O-N 3.43Å; D204-I206 VanDerWaalsContact O-N 3.09Å; D204-S207 WeakPolarHBondContact O-CA 3.16Å; D204-S207 VanDerWaalsContact O-CB 3.31Å; D204-S207 WeakPolarHBondContact O-CB 3.28Å; D204-S207 PolarHBondContact O-N 2.95Å; D204-K208 PolarHBondContact O-N 3.35Å
205D66.7Low65.6Low107 Ų107111.1 Ų111.157%0.57256%0.561SS**Hα-helixtrans-59-29.8-176.8-58.8-41.3000113.4S207 R209D205-S207 VanDerWaalsContact C-N 3.32Å; D205-R209 WeakPolarHBondContact O-CB 3.46Å; D205-R209 WeakPolarHBondContact O-CG 3.43Å; D205-R209 PolarHBondContact O-N 3.22Å
206I68.5Low66.1Low117 Ų117111.9 Ų111.960%0.657%0.572SS**Hα-helixtrans-67.5-35.8175.1-56.5174.7000110.7D204 R210D204-I206 PolarHBondContact O-N 3.43Å; D204-I206 VanDerWaalsContact O-N 3.09Å; I206-R210 WeakPolarHBondContact O-CB 3.33Å; I206-R210 WeakPolarHBondContact O-CD 3.43Å; I206-R210 WeakPolarHBondContact O-CG 3.15Å; I206-R210 PolarHBondContact O-N 2.87Å
207S74.9Confident66.2Low22 Ų22115.7 Ų115.715%0.15458%0.575CS.*Hα-helixtrans-74.7-44.1176.7-62.40000111.1G202 D204 D205 R210 R211G202-S207 WeakPolarHBondContact O-CB 3.22Å; D204-S207 WeakPolarHBondContact O-CA 3.16Å; D204-S207 VanDerWaalsContact O-CB 3.31Å; D204-S207 WeakPolarHBondContact O-CB 3.28Å; D204-S207 PolarHBondContact O-N 2.95Å; D205-S207 VanDerWaalsContact C-N 3.32Å; S207-R210 WeakPolarHBondContact O-CB 3.17Å; S207-R210 PolarHBondContact O-N 3.14Å; S207-R210 VanDerWaalsContact O-N 3.14Å; S207-R211 PolarHBondContact O-N 3.46Å
208K77.3Confident66.3Low48 Ų48112.8 Ų112.821%0.20957%0.571CS.*Hα-helixtrans-56.5-52.1173.9-73171.2167.7146.10112D203 D204 R210 R211 G212 E213D203-K208 VanDerWaalsContact CG-CE 3.4Å; D203-K208 WeakPolarHBondContact O-CE 3.43Å; D203-K208 PolarHBondContact O-NZ 3.34Å; D203-K208 WeakPolarHBondContact OD1-CE 3.32Å; D203-K208 IonicContact OD1-NZ 2.66Å; D203-K208 PolarHBondContact OD1-NZ 3.3Å; D203-K208 WeakPolarHBondContact OD2-CE 3.44Å; D203-K208 IonicContact OD2-NZ 3.22Å; D203-K208 PolarHBondContact OD2-NZ 2.88Å; D204-K208 PolarHBondContact O-N 3.35Å; K208-R210 PolarHBondContact O-N 2.8Å; K208-R211 CarbonylContact O-C 3.54Å; K208-R211 WeakPolarHBondContact O-CA 3.47Å; K208-R211 PolarHBondContact O-N 3.21Å; K208-G212 PolarHBondContact O-N 3.08Å; K208-E213 CarbonylContact C-O 3.3Å; K208-E213 HydrophobicContact CB-CB 4.11Å; K208-E213 WeakPolarHBondContact CB-O 3.39Å; K208-E213 PolarHBondContact O-N 3.13Å
209R71.8Confident66.2Low162 Ų162108.4 Ų108.461%0.61156%0.559SS**Hα-helixtrans-59.6-29.7175.6-68.5174.873.4-172.64.4113.2D205 G212 F214D205-R209 WeakPolarHBondContact O-CB 3.46Å; D205-R209 WeakPolarHBondContact O-CG 3.43Å; D205-R209 PolarHBondContact O-N 3.22Å; R209-G212 PolarHBondContact O-N 3.44Å; R209-F214 HydrophobicContact CB-CD1 4.5Å; R209-F214 HydrophobicContact CB-CE1 4Å; R209-F214 HydrophobicContact CB-CZ 4.36Å; R209-F214 HydrophobicContact CG-CD1 3.86Å; R209-F214 HydrophobicContact CG-CE1 3.76Å
210R71.2Confident65.7Low208 Ų208110.5 Ų110.579%0.78556%0.564SS**Hα-helixtrans-76.8-21.3172.8-75.9170.2177.4176-0.9114I206 S207 K208 G212I206-R210 WeakPolarHBondContact O-CB 3.33Å; I206-R210 WeakPolarHBondContact O-CD 3.43Å; I206-R210 WeakPolarHBondContact O-CG 3.15Å; I206-R210 PolarHBondContact O-N 2.87Å; S207-R210 WeakPolarHBondContact O-CB 3.17Å; S207-R210 PolarHBondContact O-N 3.14Å; S207-R210 VanDerWaalsContact O-N 3.14Å; K208-R210 PolarHBondContact O-N 2.8Å; R210-G212 VanDerWaalsContact C-N 3.35Å
211R70.1Confident65.4Low82 Ų82109.4 Ų109.431%0.30956%0.557SS.*Hα-helixtrans-85.9-4.2169.7-66-164.1-61.6-99.7-1.8113.4G201 G202 S207 K208 E213G201-R211 PolarHBondContact O-NH1 3.18Å; G202-R211 PolarHBondContact O-NH1 3.45Å; S207-R211 PolarHBondContact O-N 3.46Å; K208-R211 CarbonylContact O-C 3.54Å; K208-R211 WeakPolarHBondContact O-CA 3.47Å; K208-R211 PolarHBondContact O-N 3.21Å; R211-E213 VanDerWaalsContact C-N 3.25Å; R211-E213 HydrophobicContact CB-CG 4.17Å; R211-E213 IonicContact CZ-OE1 3.99Å; R211-E213 IonicContact CZ-OE2 2.62Å; R211-E213 VanDerWaalsContact CZ-OE2 3.31Å; R211-E213 IonicContact NE-OE1 3.39Å; R211-E213 PolarHBondContact NE-OE1 2.9Å; R211-E213 IonicContact NE-OE2 2.84Å; R211-E213 PolarHBondContact NE-OE2 3.03Å; R211-E213 VanDerWaalsContact NE-OE2 3.09Å; R211-E213 IonicContact NH2-OE1 2.66Å; R211-E213 IonicContact NH2-OE2 3.15Å; R211-E213 PolarHBondContact NH2-OE2 2.96Å
212G67.8Low64.5Low50 Ų50113.9 Ų113.952%0.51558%0.58SS.*THydrogen-bonded Turntrans79.85.1-170.400000113.9K208 R209 R210 F214K208-G212 PolarHBondContact O-N 3.08Å; R209-G212 PolarHBondContact O-N 3.44Å; R210-G212 VanDerWaalsContact C-N 3.35Å; G212-F214 WeakPolarHBondContact O-CD2 3.4Å; G212-F214 PolarHBondContact O-N 3.25Å; G212-F214 VanDerWaalsContact O-N 3.1Å
213E77.9Confident63.1Low91 Ų91121.4 Ų121.443%0.42560%0.602SS.*  trans-81.784.4175.9-67.2162.6-155.900109K208 R211K208-E213 CarbonylContact C-O 3.3Å; K208-E213 HydrophobicContact CB-CB 4.11Å; K208-E213 WeakPolarHBondContact CB-O 3.39Å; K208-E213 PolarHBondContact O-N 3.13Å; R211-E213 VanDerWaalsContact C-N 3.25Å; R211-E213 HydrophobicContact CB-CG 4.17Å; R211-E213 IonicContact CZ-OE1 3.99Å; R211-E213 IonicContact CZ-OE2 2.62Å; R211-E213 VanDerWaalsContact CZ-OE2 3.31Å; R211-E213 IonicContact NE-OE1 3.39Å; R211-E213 PolarHBondContact NE-OE1 2.9Å; R211-E213 IonicContact NE-OE2 2.84Å; R211-E213 PolarHBondContact NE-OE2 3.03Å; R211-E213 VanDerWaalsContact NE-OE2 3.09Å; R211-E213 IonicContact NH2-OE1 2.66Å; R211-E213 IonicContact NH2-OE2 3.15Å; R211-E213 PolarHBondContact NH2-OE2 2.96Å
214F72.8Confident61.8Low124 Ų124125.6 Ų125.654%0.54461%0.614SS.*PPolyproline II helixtrans-86.2144.1171.8-65.4-90.3000110.4R209 G212R209-F214 HydrophobicContact CB-CD1 4.5Å; R209-F214 HydrophobicContact CB-CE1 4Å; R209-F214 HydrophobicContact CB-CZ 4.36Å; R209-F214 HydrophobicContact CG-CD1 3.86Å; R209-F214 HydrophobicContact CG-CE1 3.76Å; G212-F214 WeakPolarHBondContact O-CD2 3.4Å; G212-F214 PolarHBondContact O-N 3.25Å; G212-F214 VanDerWaalsContact O-N 3.1Å
215P68.7Low59.8Low97 Ų97126.7 Ų126.763%0.6363%0.63SS**PPolyproline II helixtrans-57140.5169.7-2333.8000110.8Y217P215-Y217 PolarHBondContact O-N 3.34Å
216P67.2Low58.1Low121 Ų121131.2 Ų131.279%0.78664%0.639SS**PPolyproline II helixtrans-54.8135.2173.2-25.434.8000111.3E218P216-E218 PolarHBondContact O-N 3.33Å; P216-E218 VanDerWaalsContact O-N 3.09Å
217Y52.7Low56.4Low196 Ų196132.3 Ų132.377%0.76965%0.651SS**  trans-73101.4178.4178.6-106.4000110.3P215 P219P215-Y217 PolarHBondContact O-N 3.34Å; Y217-P219 HydrophobicContact CE1-CB 4.24Å; Y217-P219 WeakPolarHBondContact O-CD 3.43Å
218E57.5Low54.3Low171 Ų171136.1 Ų136.180%0.79967%0.67SS**  trans-82.4114.4168.3-71.1-167.1-173.700110P216 I220P216-E218 PolarHBondContact O-N 3.33Å; P216-E218 VanDerWaalsContact O-N 3.09Å; E218-I220 PolarHBondContact O-N 3.45Å
219P49.2Very low52.9Low87 Ų87139.8 Ų139.857%0.56570%0.699SS**  trans-65.8131.9179.125.7-33.7000111.3Y217 K221Y217-P219 HydrophobicContact CE1-CB 4.24Å; Y217-P219 WeakPolarHBondContact O-CD 3.43Å; P219-K221 PolarHBondContact O-N 3.07Å
220I45.1Very low50.8Low148 Ų148135.8 Ų135.876%0.75971%0.708SS**  trans-68.4104.9-171.4-57.3175.2000110.5E218E218-I220 PolarHBondContact O-N 3.45Å
221K48.7Very low48.8Very low178 Ų178133.4 Ų133.477%0.77471%0.711SS**  trans-68.5132.2176.6-64.7-178.4-178.4175.90110.8P219 K223P219-K221 PolarHBondContact O-N 3.07Å; K221-K223 PolarHBondContact O-N 2.73Å
222P39.3Very low46.9Very low123 Ų123134 Ų13480%0.79973%0.728SS**  trans-64.8128.2-174.924.1-33.6000111.8K224P222-K224 PolarHBondContact O-N 2.84Å
223K37.8Very low45.2Very low199 Ų199139.1 Ų139.187%0.86574%0.742SS**  trans-78.1109.4-175.9-68.6171.1-177.1164.60110.6K221K221-K223 PolarHBondContact O-N 2.73Å
224K38.7Very low42.9Very low203 Ų203141.9 Ų141.988%0.88376%0.76SS**PPolyproline II helixtrans-64.2149.4165.1-65.8-176.8179.2-179.60109.8P222P222-K224 PolarHBondContact O-N 2.84Å
225S32.8Very low40.8Very low126 Ų126142.4 Ų142.488%0.88177%0.774SS**PPolyproline II helixtrans-61.4140.9-168.240.10000113.6
226R31.3Very low38.9Very low203 Ų203147.2 Ų147.277%0.76679%0.785SS**PPolyproline II helixtrans-100.9131.4-179.7170.6176.1166.1-170.8-8.8110.7D228R226-D228 IonicContact CZ-OD1 2.69Å; R226-D228 IonicContact CZ-OD2 3.76Å; R226-D228 IonicContact NE-OD1 2.64Å; R226-D228 PolarHBondContact NE-OD1 3.29Å; R226-D228 IonicContact NE-OD2 3.28Å; R226-D228 IonicContact NH2-OD1 3.72Å; R226-D228 PolarHBondContact NH2-OD1 2.83Å; R226-D228 IonicContact NH2-OD2 3.31Å; R226-D228 PolarHBondContact NH2-OD2 2.94Å
227T32.4Very low37Very low139 Ų139146.7 Ų146.785%0.85378%0.784SS**  trans-111122164.3-36.40000108.2
228D30.8Very low35.8Very low102 Ų102148.6 Ų148.655%0.54579%0.79SS.*  trans-87.9173.3173.2-10312.7000111R226R226-D228 IonicContact CZ-OD1 2.69Å; R226-D228 IonicContact CZ-OD2 3.76Å; R226-D228 IonicContact NE-OD1 2.64Å; R226-D228 PolarHBondContact NE-OD1 3.29Å; R226-D228 IonicContact NE-OD2 3.28Å; R226-D228 IonicContact NH2-OD1 3.72Å; R226-D228 PolarHBondContact NH2-OD1 2.83Å; R226-D228 IonicContact NH2-OD2 3.31Å; R226-D228 PolarHBondContact NH2-OD2 2.94Å
229P47.4Very low34.6Very low125 Ų125147.8 Ų147.881%0.81279%0.79SS**  cis-131.9177.611.941.1-24.8000115.8
230G27.8Very low33.6Very low78 Ų78154.1 Ų154.180%0.80480%0.802SS**  trans178.395.2171.300000116.1
231D28.5Very low32.8Very low158 Ų158151 Ų15185%0.84579%0.793SS**  trans-60.4172.9-168.6-131.6-41.5000120.7
232S31.6Very low31.8Very low95 Ų95148.3 Ų148.366%0.66478%0.784SS**  trans86.893.3146.869.70000124.5
233L31.7Very low31.3Very low157 Ų157149.3 Ų149.382%0.82278%0.778SS**  60.5152.4115.4-69.8168.9000125.2
234N28.4Very low30.7Very low149 Ų149146.3 Ų146.380%0.79777%0.771SS**  trans75.7145.8167.2-71.5-36000117.4
235T29.5Very low30.1Very low135 Ų135142.1 Ų142.183%0.82877%0.768SS**  cis-130.9157.819.445.90000115.1
236F28.2Very low29.9Very low199 Ų199142.3 Ų142.387%0.87376%0.759SS**  trans-97.5168.8170-110-96.7000112
237S28.3Very low29.8Very low110 Ų110142.2 Ų142.277%0.76976%0.758SS**  trans106.8145.2157.1-52.90000116.9
238R26.8Very low29.6Very low235 Ų235142.4 Ų142.489%0.88775%0.754SS**  cis-165.8150.8-13.3156.4176.9-91.1-160.3-5.3110.1
239I32.2Very low29.5Very low155 Ų155142.7 Ų142.780%0.79576%0.76SS**  trans-92.6163.7176.1-61.6163.6000111.5
240R27.8Very low28.5Very low219 Ų219144.8 Ų144.883%0.82676%0.759SS**  trans102.1152176.3-74.8-163.4147-176.3-6.6115.1E242R240-E242 IonicContact NE-OE2 3.46Å
241S28.3Very low28.6Very low82 Ų82145.8 Ų145.857%0.57375%0.749SS**  cis-172.7164.6-5.6-98.40000108
242E28.1Very low28.5Very low122 Ų122145.5 Ų145.557%0.5774%0.742SS**  cis-167.6172.3-7.7-119.5168.377.700111.3R240R240-E242 IonicContact NE-OE2 3.46Å
243Q28.6Very low28.4Very low144 Ų144148 Ų14867%0.67374%0.743SS**  trans62.4128149.4-72.6177.544.700122.9
244N25.6Very low28.2Very low137 Ų137147.4 Ų147.473%0.73374%0.74SS**  trans53118.4135.2-53.5-25.9000121.5
245S26.7Very low28.2Very low115 Ų115147.2 Ų147.280%0.80475%0.745SS**  177.2126.895.464.50000115.5
246D27.2Very low28.1Very low129 Ų129148.7 Ų148.769%0.6975%0.747SS**  trans39.3132.4131-118.529.3000123.5
247R30.7Very low27.9Very low201 Ų201142.3 Ų142.376%0.75874%0.738SS**  trans87.5123.8148.2-62.3163.2-174.6-136.8-4.8121.5
248N27.5Very low28Very low143 Ų143142 Ų14277%0.76574%0.736SS**  57144.1126.9-57.97.7000119.4
249T29.3Very low28.1Very low108 Ų108137.6 Ų137.666%0.66373%0.73SS**  cis-159.3171.818.1-13.20000110.4
250E26.8Very low28.2Very low170 Ų170137.7 Ų137.779%0.79473%0.731SS**  trans16.5147.8135.3-69.8176.4141.900120.4
251V28.2Very low28.6Very low99 Ų99133 Ų13360%0.673%0.729SS**  cis-171.5141.215.5112.60000111.2
252H28Very low28.5Very low151 Ų151133.8 Ų133.870%0.69973%0.73SS**  trans61.3166153.4-68.4-150.2000118.2
253Q28.1Very low28.5Very low148 Ų148133.6 Ų133.669%0.69273%0.733SS**  cis-156.5155.9-18.3-113.9173.1132.100110
254L28.9Very low28.5Very low145 Ų145134.5 Ų134.576%0.75974%0.737SS**  trans14.1127.6144.2-55.1168.8000120.7
255T28Very low28.5Very low144 Ų144139.6 Ų139.688%0.88375%0.746SS**  -155.6147.6124.937.90000111.4
256N26.2Very low28.5Very low166 Ų166138.2 Ų138.289%0.88874%0.742SS**  trans-86.6169.6167-54.7-29.2000110.4
257G25.4Very low28.6Very low66 Ų66136.3 Ų136.368%0.6874%0.744SS**  trans140.279.4152.200000118.1
258S30.7Very low28.7Very low102 Ų102134.8 Ų134.871%0.71375%0.746SS**  trans50.8165.1130.265.30000124.2
259D27.6Very low28.6Very low144 Ų144136.7 Ų136.777%0.7774%0.742SS**  trans82.6109154-49.9-46.9000120.6
260L35Very low28.5Very low156 Ų156137.1 Ų137.182%0.81774%0.736SS**  trans-69.6161.9153.6-7787.6000110.1
261P36Very low28.3Very low121 Ų121134.9 Ų134.979%0.78673%0.726SS**  -134.9127.8115.133.6-22.9000115.2
262T26.7Very low28.2Very low98 Ų98137 Ų13760%0.60172%0.723SS**  trans-15.1141.4142.647.40000118.1
263N26.7Very low28.2Very low118 Ų118137.8 Ų137.863%0.63172%0.72SS**  174.9125.698-89.9-48.7000117.8
264H29Very low28.2Very low164 Ų164137.5 Ų137.576%0.75972%0.717SS**  trans72.4144.5130.7-64.9-32000125.7
265R26Very low28.2Very low243 Ų243136.7 Ų136.792%0.91771%0.713SS**  trans80.7139146.2-125144.1179.1157.83.8116.3
266A27.5Very low28.1Very low87 Ų87136.1 Ų136.172%0.71970%0.704SS**  cis-164.5174.9-1.700000108.7
267A28.6Very low28.3Very low88 Ų88132.5 Ų132.573%0.72769%0.692SS**  cis177.5-176.8-23.100000107.9
268Q32.8Very low28.5Very low170 Ų170136.4 Ų136.479%0.79470%0.697SS**  trans88.8137.3176.9-60.1-157.5-1100116.1
269R25.7Very low28.8Very low182 Ų182137.1 Ų137.169%0.68770%0.697SS**  cis-154.6133-9.2-106.5-158.2122.9-149.9-15.8107.8
270E25.9Very low29Very low117 Ų117137.2 Ų137.255%0.54770%0.698SS.*  68.4118.976.5-66.4165.2-131.200112.5
271E24.3Very low29.4Very low123 Ų123133.5 Ų133.558%0.57568%0.684SS**  cis-120.4170.310.4-69.2-62.57600112.6
272R25.3Very low29.9Very low145 Ų145132.4 Ų132.455%0.54767%0.672SS.*  cis84.1146.820.8-57.9177.162-120.66.3114.3
273W28.1Very low30.9Very low166 Ų166134 Ų13463%0.62967%0.673SS**  cis-169.41486.2-124.722.3000112.1
274F27.3Very low31.7Very low143 Ų143135.8 Ų135.863%0.62768%0.677SS**  74.6158.9108.3-79.5-155.6000117.5
275L29.7Very low32.6Very low128 Ų128133.6 Ų133.667%0.6767%0.67SS**  cis-135.8-144.1-5.9-126.2168.7000107.7
276D25.1Very low34.1Very low132 Ų132128.9 Ų128.971%0.70665%0.652SS**  cis-159178.5-3.5-125.6-40.2000106
277S30.8Very low34.9Very low90 Ų90128.9 Ų128.963%0.62965%0.647SS**  cis-162.7178.1-1.851.90000109.9
278D30Very low35.8Very low148 Ų148130.9 Ų130.979%0.79164%0.644SS**  trans20.7154141.5-67.7-0.3000123.6
279V36.5Very low36.7Very low117 Ų117126.3 Ų126.371%0.70963%0.628SS**  cis179.8173.9-25.8124.30000106.9
280D32.6Very low37.6Very low146 Ų146120.6 Ų120.678%0.78162%0.62SS**  trans76.3145.3178.9-82.5-38.4000116.9
281S42.8Very low38.5Very low77 Ų77118.2 Ų118.254%0.53862%0.62SS.*  cis-151.9129.8-8.8-132.20000113.1E283S281-E283 PolarHBondContact O-N 3.18Å
282D46.5Very low39.6Very low98 Ų98119.6 Ų119.652%0.52463%0.627SS.*THydrogen-bonded Turntrans-80.327-178.5-176.541000113.8R286D282-R286 WeakPolarHBondContact O-CD 3.25Å; D282-R286 PolarHBondContact O-NE 3.38Å; D282-R286 IonicContact OD2-CZ 2.89Å; D282-R286 IonicContact OD2-NE 2.7Å; D282-R286 IonicContact OD2-NH2 2.75Å; D282-R286 PolarHBondContact OD2-NH2 2.88Å
283E47.2Very low40.4Very low132 Ų132119.2 Ų119.262%0.61763%0.631SS**THydrogen-bonded Turntrans-108.6-33.1-176.9-168.364.7-167.600112.2S281 I285 R286 S287S281-E283 PolarHBondContact O-N 3.18Å; E283-I285 VanDerWaalsContact C-N 3.34Å; E283-I285 PolarHBondContact O-N 3.34Å; E283-R286 WeakPolarHBondContact O-CB 3.47Å; E283-R286 PolarHBondContact O-N 2.96Å; E283-R286 VanDerWaalsContact O-N 3.09Å; E283-R286 IonicContact OE2-NE 3.12Å; E283-S287 PolarHBondContact O-N 3.13Å
284E44.2Very low41Very low155 Ų155115.7 Ų115.772%0.72463%0.632SS**Hα-helixtrans-61.9-41.3179.3-175.3171.2-159.500112.1R286 S287 L288E284-R286 PolarHBondContact O-N 3.42Å; E284-S287 WeakPolarHBondContact O-CB 3.46Å; E284-S287 PolarHBondContact O-N 2.66Å; E284-L288 PolarHBondContact O-N 3.46Å
285I47.6Very low41.8Very low118 Ų118112.7 Ų112.761%0.60563%0.629SS**Hα-helixtrans-60.9-31.4176.9-59174.6000111.3E283 V289E283-I285 VanDerWaalsContact C-N 3.34Å; E283-I285 PolarHBondContact O-N 3.34Å; I285-V289 WeakPolarHBondContact O-CG2 3.44Å
286R57.6Low42.2Very low145 Ų145113.1 Ų113.155%0.54763%0.627SS.*Hα-helixtrans-76.1-38.9179.1-55.7175.8-170.6-110.5-0.2111.3D282 E283 E284 V289 A290D282-R286 WeakPolarHBondContact O-CD 3.25Å; D282-R286 PolarHBondContact O-NE 3.38Å; D282-R286 IonicContact OD2-CZ 2.89Å; D282-R286 IonicContact OD2-NE 2.7Å; D282-R286 IonicContact OD2-NH2 2.75Å; D282-R286 PolarHBondContact OD2-NH2 2.88Å; E283-R286 WeakPolarHBondContact O-CB 3.47Å; E283-R286 PolarHBondContact O-N 2.96Å; E283-R286 VanDerWaalsContact O-N 3.09Å; E283-R286 IonicContact OE2-NE 3.12Å; E284-R286 PolarHBondContact O-N 3.42Å; R286-V289 PolarHBondContact O-N 3.06Å; R286-A290 PolarHBondContact O-N 2.84Å
287S45.4Very low42.7Very low87 Ų87113.8 Ų113.861%0.60863%0.631SS**Hα-helixtrans-58-46.7174.6-170.80000111.8E283 E284 V289 A290 A291E283-S287 PolarHBondContact O-N 3.13Å; E284-S287 WeakPolarHBondContact O-CB 3.46Å; E284-S287 PolarHBondContact O-N 2.66Å; S287-V289 PolarHBondContact O-N 2.73Å; S287-A290 PolarHBondContact O-N 3.39Å; S287-A291 PolarHBondContact O-N 2.82Å
288L46.8Very low43.1Very low129 Ų129113.4 Ų113.468%0.67563%0.633SS**Hα-helixtrans-61.4-40.8-178.3-145.687.6000112.9E284 Q292E284-L288 PolarHBondContact O-N 3.46Å; L288-Q292 PolarHBondContact O-N 2.84Å
289V50.5Low43.4Very low74 Ų74114 Ų11445%0.44864%0.635SS.*Hα-helixtrans-69.7-32.1-179.51740000112.1I285 R286 S287 Q293I285-V289 WeakPolarHBondContact O-CG2 3.44Å; R286-V289 PolarHBondContact O-N 3.06Å; S287-V289 PolarHBondContact O-N 2.73Å; V289-Q293 WeakPolarHBondContact O-CG 3.47Å
290A46Very low43.4Very low63 Ų63115.9 Ų115.952%0.52164%0.636SS.*Hα-helixtrans-68.6-45176.500000111.8R286 S287 Q292 Q293R286-A290 PolarHBondContact O-N 2.84Å; S287-A290 PolarHBondContact O-N 3.39Å; A290-Q292 VanDerWaalsContact C-N 3.27Å; A290-Q292 PolarHBondContact O-N 3.45Å; A290-Q293 PolarHBondContact O-N 3.33Å; A290-Q293 VanDerWaalsContact O-N 3.17Å
291A45.2Very low43.6Very low67 Ų67117.9 Ų117.955%0.55464%0.641SS**Hα-helixtrans-61.7-33.2178.800000113.1S287 Q293 S294S287-A291 PolarHBondContact O-N 2.82Å; A291-Q293 VanDerWaalsContact C-N 3.32Å; A291-Q293 PolarHBondContact O-N 2.69Å; A291-S294 PolarHBondContact O-OG 3.32Å
292Q46Very low43.3Very low152 Ų152123.7 Ų123.771%0.7166%0.659SS**THydrogen-bonded Turntrans-78.3-12.5179.5-159171.134.900113.9L288 A290 S295L288-Q292 PolarHBondContact O-N 2.84Å; A290-Q292 VanDerWaalsContact C-N 3.27Å; A290-Q292 PolarHBondContact O-N 3.45Å; Q292-S295 PolarHBondContact O-OG 3.18Å
293Q43Very low43Very low136 Ų136123.6 Ų123.664%0.63667%0.672SS**THydrogen-bonded Turntrans-90.1-27.5176.9-71.2177.120.400112.6V289 A290 A291 S295V289-Q293 WeakPolarHBondContact O-CG 3.47Å; A290-Q293 PolarHBondContact O-N 3.33Å; A290-Q293 VanDerWaalsContact O-N 3.17Å; A291-Q293 VanDerWaalsContact C-N 3.32Å; A291-Q293 PolarHBondContact O-N 2.69Å; Q293-S295 VanDerWaalsContact C-N 3.27Å; Q293-S295 PolarHBondContact O-N 3.2Å
294S40.8Very low42.4Very low92 Ų92126.2 Ų126.264%0.64369%0.685SS**THydrogen-bonded Turntrans-71.8-11.7177.644.50000115.5A291A291-S294 PolarHBondContact O-OG 3.32Å
295S42.8Very low42Very low81 Ų81126.5 Ų126.557%0.56669%0.691SS**THydrogen-bonded Turntrans-95.9-10.3-179.5550000114.7Q292 Q293Q292-S295 PolarHBondContact O-OG 3.18Å; Q293-S295 VanDerWaalsContact C-N 3.27Å; Q293-S295 PolarHBondContact O-N 3.2Å
296H38.7Very low41.3Very low136 Ų136128.1 Ų128.163%0.6370%0.7SS**THydrogen-bonded Turntrans-102.7-16-176.2-152.3-51.5000113.7A298H296-A298 VanDerWaalsContact C-N 3.29Å; H296-A298 PolarHBondContact O-N 3.32Å
297D35.7Very low40.2Very low147 Ų147129.2 Ų129.279%0.78672%0.716SS**THydrogen-bonded Turntrans-82.4-4.8178.7-123.323.8000113.1
298A38.3Very low39.8Very low82 Ų82131.6 Ų131.668%0.67872%0.722SS**THydrogen-bonded Turntrans-1055.8-174.600000114.7H296H296-A298 VanDerWaalsContact C-N 3.29Å; H296-A298 PolarHBondContact O-N 3.32Å
299L37.2Very low39.2Very low160 Ų160132.9 Ų132.984%0.83873%0.729SS**SBendtrans-129.431.5179.7-75.6173.1000112.1
300Q35.4Very low38.4Very low157 Ų157136.5 Ų136.573%0.73474%0.741SS**SBendtrans-131.926.9-175.2-162.5139.793.700112.7
301Q38Very low37.8Very low188 Ų188140.4 Ų140.488%0.87976%0.758SS**SBendtrans-140.625.8-179.5-155.7167.123.600114
302E36.6Very low37.3Very low198 Ų198143.1 Ų143.193%0.92577%0.767SS**SBendtrans-154.366.8175.6-118.3167-125.300110.1
303A39.1Very low36.7Very low96 Ų96138.5 Ų138.579%0.79376%0.761SS**  trans-162.222.7178.400000114.4
304E36.2Very low36.3Very low187 Ų187139.9 Ų139.987%0.87477%0.771SS**  trans-113.2139.2164.1-68.6-172167.600107
305D35.3Very low36Very low161 Ų161141.9 Ų141.986%0.86178%0.775SS**SBendtrans62.8127-154.8-51.4-33.5000111.9
306I33.7Very low35.5Very low153 Ų153149.1 Ų149.179%0.78579%0.792SS**  cis-138.9135.617.4-59.4160.9000108.9
307D34.4Very low35.2Very low168 Ų168149.7 Ų149.790%0.89880%0.798SS**  trans-151.196.6161.5-122.8-22.5000109.8
308N36.5Very low34.9Very low137 Ų137148.2 Ų148.273%0.73379%0.794SS**  trans-144.1100.7-177.4-104.5-37.3000109.5
309L33.8Very low34.4Very low156 Ų156153.3 Ų153.382%0.81780%0.801SS**  trans64.3162.2166.4-80.169.3000114.2
310E32.7Very low33.9Very low150 Ų150151.6 Ų151.670%0.70180%0.802SS**  cis-161.8143.8-11.8152.2176.6-134.600106.8
311V34.8Very low33.6Very low145 Ų145147.6 Ų147.688%0.87980%0.804SS**  trans-140.799.7166.1-173.90000110.5
312V34.5Very low33.1Very low124 Ų124144.2 Ų144.275%0.75280%0.801SS**  trans-92.7132.8155.3-179.60000106.9
313G33.8Very low32.8Very low55 Ų55144.8 Ų144.857%0.56780%0.8SS**  trans-94.3163.9-179.300000113.5
314L33.2Very low32.3Very low164 Ų164143.2 Ų143.286%0.85979%0.794SS**  trans-175.3162.4136.9-99.6163.7000111.9
315D35.4Very low32.2Very low135 Ų135141.2 Ų141.272%0.72279%0.789SS**  trans-42.7140.1-172.4-43.8-39.8000118.3
316Y31.7Very low32.3Very low233 Ų233141.7 Ų141.791%0.91479%0.786SS**  -167.4-167.2112.5-126-108.7000114.7
317L32.5Very low32.5Very low147 Ų147142 Ų14277%0.7778%0.784SS**  trans-120.6165-153.4-166.373.7000114.1
318V30.1Very low32.6Very low116 Ų116140.3 Ų140.370%0.70378%0.775SS**  trans93.683.9158.8-164.50000119.4
319K27.7Very low32.5Very low190 Ų190143.1 Ų143.183%0.82678%0.777SS**  50.4108.7111.5-172.8-175.6-177177.80120.5
320S27.4Very low32.5Very low123 Ų123141.1 Ų141.186%0.8677%0.767SS**  154.8159.311459.60000115
321G27.4Very low33Very low74 Ų74138.3 Ų138.376%0.76376%0.764SS**  trans108.775144.700000121.9
322S28.2Very low32.9Very low117 Ų117136.3 Ų136.382%0.81876%0.762SS**  trans22.9138.1138.7-111.30000124.5
323K31Very low32.8Very low209 Ų209133.3 Ų133.391%0.90976%0.757SS**  trans72138.8147.1-76-169166.2-159.70122
324G29.3Very low33.1Very low64 Ų64137.4 Ų137.466%0.6677%0.771SS**  13381.2119.300000119.7
325D33.5Very low33.1Very low145 Ų145136.4 Ų136.478%0.77577%0.766SS**  trans13.5140.5135.8-35.1-36.6000122.1
326E36.7Very low33.4Very low170 Ų170137.2 Ų137.279%0.79477%0.766SS**  trans54.6147.1133.4-64.5172.1177.900120.8
327E38.9Very low33.7Very low159 Ų159132 Ų13274%0.74375%0.753SS**  cis-165.1174.7-0.1-126.1178.1177.300111.7
328D35.7Very low33.7Very low133 Ų133133.2 Ų133.271%0.71175%0.753SS**  trans79.2152.8144.8-111.5-1.8000127.1
329Y33.7Very low34.1Very low196 Ų196133 Ų13377%0.76974%0.744SS**  trans70.9145.5157.4-100.9-116.8000121.7
330D35.5Very low34.4Very low115 Ų115129.2 Ų129.262%0.61574%0.741SS**  cis-171166.9-23.9175.442.7000111.5
331S43.3Very low34.6Very low90 Ų90132.7 Ų132.763%0.62974%0.736SS**  trans71.7101.2151.8-84.90000122.8
332A32.7Very low34.7Very low103 Ų103141 Ų14185%0.85174%0.744SS**  71.7128.9111.500000123.5
333G32.2Very low34.8Very low62 Ų62145 Ų14564%0.63975%0.746SS**  130.7134.7117.300000119.5
334T38.3Very low35.9Very low140 Ų140140.7 Ų140.786%0.85974%0.74SS**  trans63.5146.314952.20000120.3
335D33.6Very low36.9Very low143 Ų143143.6 Ų143.677%0.76575%0.747SS**  cis-167-178.6-23.9-150.4-26.8000109.2
336E42.2Very low36.8Very low152 Ų152140.8 Ų140.871%0.7174%0.744SS**  trans81.4129.9144.8-85.8-164.7165.200124.3
337L37.1Very low37.6Very low124 Ų124138.1 Ų138.165%0.64974%0.742SS**  trans85.292.3141.4-64.5161.9000122.6
338F34.5Very low38Very low172 Ų172135.5 Ų135.575%0.75474%0.739SS**  34.6146.3100.3-66.5-71.3000119.9
339E38.2Very low37.8Very low113 Ų113137.9 Ų137.953%0.52875%0.745SS.*  cis-166154.2-7.8-139.1178.6166.400108.3R341E339-R341 IonicContact OE1-CZ 2.7Å; E339-R341 IonicContact OE1-NE 2.76Å; E339-R341 PolarHBondContact OE1-NE 3.06Å; E339-R341 IonicContact OE1-NH2 3.34Å; E339-R341 PolarHBondContact OE1-NH2 3.47Å
340S34.1Very low37.6Very low109 Ų109137.5 Ų137.576%0.76275%0.751SS**  165.2137.184.145.40000108.8
341R30.1Very low37.3Very low197 Ų197141.7 Ų141.774%0.74376%0.763SS**  cis89.5100.839.9-173-155.8-76.4-107.13.9114.1E339E339-R341 IonicContact OE1-CZ 2.7Å; E339-R341 IonicContact OE1-NE 2.76Å; E339-R341 PolarHBondContact OE1-NE 3.06Å; E339-R341 IonicContact OE1-NH2 3.34Å; E339-R341 PolarHBondContact OE1-NH2 3.47Å
342R30.5Very low37.1Very low247 Ų247143 Ų14393%0.93277%0.77SS**  trans-163.6149.4138-107.5161.3-161.2-129.42113.8
343K30.1Very low36.7Very low201 Ų201142.7 Ų142.787%0.87476%0.761SS**  trans-116.3-162.8172.8-42.8-176.5177.9-176.30107.8
344P54.6Low36.5Very low120 Ų120144.9 Ų144.978%0.77977%0.767SS**  cis-122.9-150.513.141.8-20.3000110.8
345P50.6Low36.8Very low124 Ų124144 Ų14481%0.80576%0.763SS**  cis-133.4-133.7-3.343.6-22000114.9
346A30.2Very low37.3Very low86 Ų86143.2 Ų143.271%0.71177%0.766SS**  trans-163-154.6-174.500000107.1
347P53.1Low36.5Very low115 Ų115140 Ų14075%0.74777%0.765SS**  cis-132-152.3-1.246.3-26.6000111.5
348P48.4Very low36.1Very low104 Ų104141.8 Ų141.868%0.67577%0.77SS**  cis-124.4147.9-11.140.2-23.5000115.4
349Q31.3Very low35.8Very low182 Ų182139.8 Ų139.885%0.8576%0.763SS**  67.2142.295.7-53.3-168.7-54.200115.4
350E28.8Very low35.1Very low189 Ų189142.6 Ų142.688%0.88377%0.774SS**  cis-141.3-17944.5-65.3-175.7140.700117
351K28.7Very low34.8Very low203 Ų203141.7 Ų141.788%0.88377%0.768SS**  trans-159.1175.7-178.9-101.1-170.1-179.3-173.80108.1
352P39.8Very low34.7Very low117 Ų117138.8 Ų138.876%0.7677%0.767SS**  cis-116.6-121.715242.3000112.7
353S25.4Very low34.6Very low96 Ų96133.5 Ų133.567%0.67175%0.753SS**  cis-176164.4-1.925.20000109.5
354S26.1Very low34.6Very low108 Ų108130.7 Ų130.776%0.75574%0.741SS**  cis-176.1149.6-32.150.80000110.8
355P46.1Very low33.3Very low122 Ų122134 Ų13479%0.79274%0.738SS**  trans-84.2-171.1179.739.2-40.5000113.3
356P42.5Very low32.1Very low126 Ų126134 Ų13482%0.81873%0.727SS**  cis-144.8-14516.446.3-23.6000116.3
357A25.6Very low31.9Very low84 Ų84136.2 Ų136.269%0.69472%0.724SS**  trans100.2142.2168.900000117.4
358Q29.3Very low30.6Very low162 Ų162138.5 Ų138.576%0.75772%0.722SS**  cis-161.1128.4-4.3-116.3174.7-59.900109.9
359Q27.9Very low29.6Very low130 Ų130143.3 Ų143.361%0.60773%0.727SS**  90.5146.497.4-94.6-167.4-53.900119.6
360F25Very low29.3Very low173 Ų173142.6 Ų142.676%0.75972%0.721SS**  trans70.5164.9166.9-56.9-64.8000119
361S25.8Very low29.2Very low90 Ų90139 Ų13963%0.62971%0.712SS**  173.9133.6-64.755.60000111.2
362D28.7Very low29Very low135 Ų135135 Ų13572%0.72271%0.705SS**  trans-177135153-102.5-2.8000111.3
363Q29.6Very low28.7Very low136 Ų136135.4 Ų135.464%0.63671%0.707SS**  72.7138.181.7-72.4-168.289.700114.3
364K29.6Very low28.7Very low142 Ų142133.1 Ų133.162%0.61770%0.699SS**  cis170.1138.52.2157.1174.3167.5-169.90114.7
365R26.3Very low28.7Very low190 Ų190131.7 Ų131.772%0.71768%0.683SS**  trans68.2166151-79.8172.588.7-1514.6118.1
366Q26.8Very low27.8Very low125 Ų125129.5 Ų129.558%0.58467%0.667SS**  cis-148.7150.3-12.3-84.8-117.1-90.900106.9
367M24.3Very low27Very low131 Ų131128.3 Ų128.365%0.64566%0.662SS**  cis107.6133.638.9-154.5-152.4-163.400112
368K27.1Very low27Very low164 Ų164129.1 Ų129.171%0.71366%0.662SS**  trans83.8147.6163-69.9172.7179.2167.90119.7
369R25.9Very low26.7Very low204 Ų204127 Ų12777%0.7767%0.665SS**  cis-179143.7-22.1-149.2-176.7-176.3-168.5-0.1113
370K26.3Very low26.8Very low167 Ų167130 Ų13073%0.72668%0.676SS**  trans65.2159.3152-96-168.4165.5-150.30117.9
371T26.1Very low27.1Very low113 Ų113128 Ų12869%0.69368%0.681SS**  cis-147.6164.213.3-240000114.5
372T24.1Very low27Very low121 Ų121129.1 Ų129.174%0.74269%0.689SS**  trans-76.3-176.1169.145.30000114
373P33.4Very low26.9Very low124 Ų124127.9 Ų127.981%0.80569%0.691SS**  cis-116.8-154.52.347-33.5000112.1
374G26.4Very low26.7Very low48 Ų48126.1 Ų126.150%0.49569%0.694SS.*  cis152171.7300000109.5G593G374-G593 CarbonylContact C-O 3.56Å; G374-G593 VanDerWaalsContact C-O 3.3Å; G374-G593 CarbonylContact O-C 3.58Å
375D26.4Very low26.6Very low79 Ų79125.2 Ų125.242%0.42270%0.699SS.*  cis177.2-169-11.8176.843.2000110.5Q591 G593D375-Q591 WeakPolarHBondContact OD2-CA 3.26Å; D375-Q591 PolarHBondContact OD2-N 3.18Å; D375-G593 VanDerWaalsContact C-N 3.33Å; D375-G593 VanDerWaalsContact N-N 3.14Å; D375-G593 PolarHBondContact N-O 3.03Å; D375-G593 CarbonylContact O-C 3.6Å; D375-G593 VanDerWaalsContact O-C 3.31Å; D375-G593 PolarHBondContact O-N 3.3Å
376V27Very low26.8Very low75 Ų75122.5 Ų122.546%0.45570%0.695SS.*  trans-27.1161.5177.2-57.40000121.1Q591 A592V376-Q591 HydrophobicContact CG2-CB 4.37Å; V376-Q591 HydrophobicContact CG2-CG 3.8Å; V376-A592 HydrophobicContact CG2-CB 4.02Å
377S25.8Very low26.7Very low102 Ų102125.6 Ų125.671%0.71370%0.701SS**  cis-166164.310.9-137.80000117.4
378S24.2Very low26.8Very low100 Ų100126.7 Ų126.770%0.69971%0.705SS**  trans76.2129.4136.471.30000125.5
379S23.9Very low26.9Very low117 Ų117125.9 Ų125.982%0.81871%0.708SS**  trans83.8145.2138.3730000122.3
380K29.3Very low27.5Very low193 Ų193121.9 Ų121.984%0.83971%0.709SS**  trans-83.9166.5-179.5-54.3174.1-179.21780111.6
381P32.3Very low27.6Very low132 Ų132118.4 Ų118.486%0.85771%0.711SS**  -140.5-171.3107.739.1-26.9000115.1
382S23.9Very low27.7Very low114 Ų114116.2 Ų116.280%0.79771%0.711SS**  trans-105.3150.1-163.5-39.70000115.2
383S25.6Very low27.8Very low109 Ų109116.8 Ų116.876%0.76271%0.714SS**  trans169135.6144.248.10000108.2
384S25.2Very low27.6Very low99 Ų99122.3 Ų122.369%0.69272%0.719SS**  cis91.4136.926.880.60000114.8
385V29.4Very low28.1Very low122 Ų122124.9 Ų124.974%0.73973%0.727SS**  trans75.3128.2161.2167.40000114.5
386Q29Very low28.2Very low133 Ų133125.5 Ų125.562%0.62174%0.743SS**  cis-174.1174.7-4.7-125.4175.812.800111.2
387R26Very low28.3Very low191 Ų191128.9 Ų128.972%0.72176%0.757SS**  trans75.3148.5139.1-84.8174.1-170.2-100.13.8119.3
388E26.3Very low28.3Very low154 Ų154131.4 Ų131.472%0.7276%0.755SS**  cis-133.5168-0.5-65.1-144.5138.200114.7
389N27.9Very low28.3Very low146 Ų146134.3 Ų134.378%0.78176%0.757SS**  trans-97.8168.4170.2-131.8-27.6000108.1
390P40.3Very low28.2Very low120 Ų120133.2 Ų133.278%0.77975%0.749SS**  -158.41797142.4-20.7000119.2
391A26.5Very low28Very low95 Ų95128.4 Ų128.479%0.78574%0.74SS**  trans-31.8164.8165.600000119.5
392G28.7Very low27.6Very low66 Ų66128.7 Ų128.768%0.6874%0.735SS**  cis134.9-171.62.200000113.1
393V27.4Very low27.6Very low134 Ų134127.4 Ų127.481%0.81273%0.726SS**  trans72.3110.6-180-167.90000112.6
394R27.8Very low27.6Very low240 Ų240130.5 Ų130.591%0.90673%0.728SS**  61.4165.763.8-71.1-172.1168.4-167.1-2.7113.8
395P36.7Very low27.6Very low102 Ų102130.6 Ų130.666%0.66273%0.728SS**  cis-113.1155.1-19.439.5-26.3000111
396A29.7Very low27.4Very low92 Ų92130.6 Ų130.676%0.7672%0.724SS**  44.4106.376.300000115.9
397I29.2Very low27.5Very low146 Ų146131 Ų13175%0.74973%0.726SS**  trans-169.5143.4155.4-104.7150.7000108.6
398K25.2Very low27.6Very low154 Ų154127.8 Ų127.867%0.6772%0.723SS**  cis178.8167.6-25.1-108.4-170.6-159.8179.70105.2
399H24.7Very low27.9Very low161 Ų161127 Ų12775%0.74572%0.724SS**  trans70.7150.2161.8-53.7-60.7000116.1
400S22.2Very low28.1Very low94 Ų94128.1 Ų128.166%0.65772%0.724SS**  cis-166.7-179.3-20.450.40000108.4
401S23.7Very low27.8Very low92 Ų92130.8 Ų130.864%0.64373%0.726SS**  trans34.7129.1144.359.10000118.8
402D23.6Very low28.1Very low139 Ų139134.2 Ų134.274%0.74373%0.726SS**  -171.4174.756.9-142.7-63.7000113.1
403S24.8Very low28.4Very low87 Ų87139.9 Ų139.961%0.60874%0.735SS**  trans57.2112.5146.8-71.50000121.7
404H26.5Very low28.6Very low174 Ų174136.9 Ų136.981%0.80673%0.731SS**  38.8148.5115.1-71.4-76.8000122.3
405S24.4Very low28.5Very low100 Ų100133.3 Ų133.370%0.69973%0.73SS**  trans70.1143.1154.6660000116.6
406D26Very low28.2Very low122 Ų122133.4 Ų133.465%0.65273%0.733SS**  cis-172.1163.5-15.6-112.5-55.9000107.8
407Q29.7Very low28.3Very low142 Ų142134 Ų13466%0.66473%0.732SS**  trans62162.5157.9-86.280.990.300117.1
408D28.6Very low28.3Very low123 Ų123134.4 Ų134.466%0.65874%0.735SS**  cis-149.9152.5-5-102.6-30.3000109.6
409D31.7Very low28.7Very low138 Ų138132.7 Ų132.774%0.73874%0.743SS**  trans41.4172.9139.8-49.5-25.9000122
410E33.1Very low29Very low169 Ų169129.6 Ų129.679%0.7974%0.739SS**  cis-133.3137.23.3-81.5-174172.800108.9
411E33.3Very low29.4Very low177 Ų177130.8 Ų130.883%0.82775%0.748SS**  76.1168.3100.3-60.2-138.4150.200119.1
412E34.1Very low29.8Very low167 Ų167132.3 Ų132.378%0.7875%0.748SS**  trans84.1149.4165.5-81.2-67.3172.900122.6
413E34.9Very low30.2Very low184 Ų184133.6 Ų133.686%0.8675%0.748SS**  trans-87.5168.8-161.2-59.1-173.1170.900115.1
414G30.3Very low30.6Very low71 Ų71135.7 Ų135.773%0.73275%0.752SS**  trans160.399.2149.500000120.1
415N27.2Very low30.7Very low166 Ų166135.6 Ų135.689%0.88875%0.75SS**  trans49.3127.5136.5-902.6000123.9
416S29Very low31.6Very low104 Ų104136.8 Ų136.873%0.72776%0.755SS**  82.697120.6-172.10000122.2
417S32.7Very low32.6Very low104 Ų104134.5 Ų134.573%0.72775%0.753SS**  79.3120.4120.4-1570000121.8
418D29.8Very low33Very low154 Ų154134.7 Ų134.782%0.82476%0.758SS**  trans58.1100.7134.7-16230.7000120.1
419S32Very low33.6Very low118 Ų118138.8 Ų138.883%0.82577%0.77SS**  trans-154.7170.5142.3-162.20000111.2
420S32.1Very low33.8Very low96 Ų96138.1 Ų138.167%0.67178%0.776SS**  trans-115.8163.7-16263.70000115.3
421S29.4Very low34.2Very low120 Ų120134.9 Ų134.984%0.83978%0.779SS**  trans73.1161.8166.275.40000117.2
422D32Very low34.8Very low123 Ų123133.4 Ų133.466%0.65878%0.776SS**  cis-178.1149.1-37.2-167.86.2000105.2
423F32.7Very low34.9Very low167 Ų167130 Ų13073%0.73277%0.771SS**  trans61.5150.6-172.5-51.1-86.6000114.8
424D32.8Very low35.1Very low130 Ų130128.6 Ų128.670%0.69577%0.769SS**  cis-152146.6-11.8-125.4-27.5000108.4
425F30.3Very low35.3Very low173 Ų173134.6 Ų134.676%0.75977%0.772SS**  trans-140.268.6-177.9-137.7-75.6000115.6A427F425-A427 HydrophobicContact CD1-CB 4.31Å; F425-A427 HydrophobicContact CE1-CB 4.27Å; F425-A427 PolarHBondContact O-N 3.38Å
426P43.1Very low36Very low124 Ų124134.2 Ų134.281%0.80577%0.769SS**  trans-9059.2-176.737.7-36.8000113.3
427A45.2Very low36.6Very low75 Ų75140 Ų14062%0.6278%0.775SS**  trans-139.96.6-168.600000118F425F425-A427 HydrophobicContact CD1-CB 4.31Å; F425-A427 HydrophobicContact CE1-CB 4.27Å; F425-A427 PolarHBondContact O-N 3.38Å
428L39.9Very low37.8Very low145 Ų145141.1 Ų141.176%0.75977%0.771SS**  trans-117.848.1-175.3-69.7177.6000114.7
429F39.9Very low39.5Very low209 Ų209136.6 Ų136.692%0.91775%0.752SS**  trans-142.886170-87.1-73.3000113.8
430S37.4Very low40.8Very low124 Ų124137.8 Ų137.887%0.86775%0.748SS**  trans-168.8153.4141.9-87.60000112.7
431A40.6Very low42.3Very low102 Ų102135.6 Ų135.684%0.84374%0.736SS**SBendtrans61.459.9160.300000118.7
432N46.3Very low44.3Very low145 Ų145132.5 Ų132.578%0.77571%0.71SS**  -168.5115.5100.2-165.65.2000111.2
433S35.2Very low46Very low95 Ų95131.8 Ų131.866%0.66471%0.705SS**  trans-157.2105.417355.10000112.3Y435S433-Y435 PolarHBondContact O-N 3.24Å
434N39.4Very low47.2Very low155 Ų155128.8 Ų128.883%0.82969%0.693SS**  trans-73.194176.1-77.5-31.3000110.8L436N434-L436 PolarHBondContact O-N 3.5Å
435Y33.9Very low48.4Very low198 Ų198130.2 Ų130.278%0.77669%0.689SS**  trans-78.887-176.1-136.5-78.3000111.7S433 R437S433-Y435 PolarHBondContact O-N 3.24Å; Y435-R437 PolarHBondContact O-N 3.39Å
436L41.6Very low49.7Very low158 Ų158128.4 Ų128.483%0.82769%0.686SS**  trans-63.2103.9174.3-79.8170.7000111.2N434 I438N434-L436 PolarHBondContact O-N 3.5Å; L436-I438 PolarHBondContact O-N 2.97Å
437R41.8Very low50.2Low226 Ų226126.5 Ų126.585%0.85368%0.681SS**  trans-85.393.5173.5-71.6-178.9174.6149-1.1110.4Y435 S439Y435-R437 PolarHBondContact O-N 3.39Å; R437-S439 PolarHBondContact O-N 3.48Å
438I58.4Low50.2Low126 Ų126129.4 Ų129.465%0.64668%0.682SS**  trans-65.1128.1168.9-59.5176.1000108.7L436 D442 L443L436-I438 PolarHBondContact O-N 2.97Å; I438-D442 HydrophobicContact CG2-CB 4.02Å; I438-L443 HydrophobicContact CG2-CG 4.21Å
439S65Low50.6Low60 Ų60127.1 Ų127.142%0.4268%0.678SS.*  trans-83.2154179.3-173.70000111.8R437 A441 D442 L443R437-S439 PolarHBondContact O-N 3.48Å; S439-A441 PolarHBondContact O-N 2.98Å; S439-A441 PolarHBondContact OG-N 2.56Å; S439-D442 WeakPolarHBondContact CB-OD2 3.35Å; S439-D442 PolarHBondContact N-OD2 2.77Å; S439-D442 WeakPolarHBondContact O-CB 3.46Å; S439-D442 PolarHBondContact O-N 2.66Å; S439-L443 PolarHBondContact O-N 3.25Å
440L60.4Low50.6Low142 Ų142126 Ų12674%0.74367%0.673SS**Hα-helixtrans-54.6-33.4168.9-162.776.8000111.3D442 L443 Q444L440-D442 VanDerWaalsContact C-N 3.34Å; L440-D442 PolarHBondContact O-N 2.84Å; L440-L443 PolarHBondContact O-N 3.41Å; L440-Q444 WeakPolarHBondContact O-CB 3.4Å; L440-Q444 PolarHBondContact O-N 3.49Å
441A63.9Low50.9Low51 Ų51126.4 Ų126.442%0.42167%0.67SS.*Hα-helixtrans-71.8-21.4177.100000114.2S439 R445S439-A441 PolarHBondContact O-N 2.98Å; S439-A441 PolarHBondContact OG-N 2.56Å; A441-R445 WeakPolarHBondContact O-CB 3.48Å; A441-R445 PolarHBondContact O-N 3.19Å
442D71.4Confident51.3Low55 Ų55126.5 Ų126.529%0.29466%0.662SS.*Hα-helixtrans-77.2-44.5172.9-63.8-58.9000110.6I438 S439 L440 Q444 R445 L446I438-D442 HydrophobicContact CG2-CB 4.02Å; S439-D442 WeakPolarHBondContact CB-OD2 3.35Å; S439-D442 PolarHBondContact N-OD2 2.77Å; S439-D442 WeakPolarHBondContact O-CB 3.46Å; S439-D442 PolarHBondContact O-N 2.66Å; L440-D442 VanDerWaalsContact C-N 3.34Å; L440-D442 PolarHBondContact O-N 2.84Å; D442-Q444 PolarHBondContact O-N 2.98Å; D442-R445 PolarHBondContact O-N 3.44Å; D442-R445 IonicContact OD1-CZ 3.63Å; D442-R445 IonicContact OD1-NH1 3.84Å; D442-R445 PolarHBondContact OD1-NH1 3.33Å; D442-R445 IonicContact OD1-NH2 2.65Å; D442-R445 PolarHBondContact OD1-NH2 3.17Å; D442-L446 WeakPolarHBondContact O-CG 3.4Å; D442-L446 PolarHBondContact O-N 2.9Å
443L66.4Low50.5Low107 Ų107124.1 Ų124.156%0.5666%0.657SS**Hα-helixtrans-61.6-42.2174.1-75.4165000111.9I438 S439 L440 L446 A447I438-L443 HydrophobicContact CG2-CG 4.21Å; S439-L443 PolarHBondContact O-N 3.25Å; L440-L443 PolarHBondContact O-N 3.41Å; L443-L446 PolarHBondContact O-N 3.01Å; L443-A447 PolarHBondContact O-N 2.94Å
444Q58.6Low50.4Low104 Ų104126.9 Ų126.949%0.48666%0.662SS.*Hα-helixtrans-65.3-42.1177.5-172.6171.6-7.600112.3L440 D442 L446 A447 E448L440-Q444 WeakPolarHBondContact O-CB 3.4Å; L440-Q444 PolarHBondContact O-N 3.49Å; D442-Q444 PolarHBondContact O-N 2.98Å; Q444-L446 VanDerWaalsContact C-N 3.26Å; Q444-L446 PolarHBondContact O-N 3.14Å; Q444-A447 PolarHBondContact O-N 3.5Å; Q444-E448 HydrophobicContact CG-CG 4.45Å; Q444-E448 WeakPolarHBondContact CG-OE1 3.12Å; Q444-E448 PolarHBondContact NE2-OE1 2.93Å; Q444-E448 PolarHBondContact O-N 3.32Å
445R56.8Low50.1Low161 Ų161126.2 Ų126.261%0.60866%0.658SS**Hα-helixtrans-61.8-30175.3-93.3165.636.3-118.8-6.7113.7A441 D442A441-R445 WeakPolarHBondContact O-CB 3.48Å; A441-R445 PolarHBondContact O-N 3.19Å; D442-R445 PolarHBondContact O-N 3.44Å; D442-R445 IonicContact OD1-CZ 3.63Å; D442-R445 IonicContact OD1-NH1 3.84Å; D442-R445 PolarHBondContact OD1-NH1 3.33Å; D442-R445 IonicContact OD1-NH2 2.65Å; D442-R445 PolarHBondContact OD1-NH2 3.17Å
446L59.1Low49.8Very low134 Ų134127.9 Ų127.970%0.70266%0.663SS**Hα-helixtrans-75.4-30.3173.8-70168.3000112.3D442 L443 Q444D442-L446 WeakPolarHBondContact O-CG 3.4Å; D442-L446 PolarHBondContact O-N 2.9Å; L443-L446 PolarHBondContact O-N 3.01Å; Q444-L446 VanDerWaalsContact C-N 3.26Å; Q444-L446 PolarHBondContact O-N 3.14Å
447A53.9Low49.2Very low84 Ų84125.6 Ų125.669%0.69466%0.66SS**Hα-helixtrans-76.3-31.8-179.600000114.4L443 Q444L443-A447 PolarHBondContact O-N 2.94Å; Q444-A447 PolarHBondContact O-N 3.5Å
448E44.8Very low48.3Very low136 Ų136118.2 Ų118.264%0.63666%0.655SS**SBendtrans-85.3-5.8-169.6-70.4176.8179.900115.1Q444 K450Q444-E448 HydrophobicContact CG-CG 4.45Å; Q444-E448 WeakPolarHBondContact CG-OE1 3.12Å; Q444-E448 PolarHBondContact NE2-OE1 2.93Å; Q444-E448 PolarHBondContact O-N 3.32Å; E448-K450 PolarHBondContact O-N 3.39Å; E448-K450 VanDerWaalsContact O-N 3.13Å
449S48.6Very low46.8Very low97 Ų97121 Ų12168%0.67867%0.67SS**  trans-87.275.8-169.861.50000115.1
450K39.9Very low45Very low186 Ų186126.1 Ų126.181%0.80969%0.685SS**  trans-144.395.9175.5-157.7152.2-172.8166.40117.5E448E448-K450 PolarHBondContact O-N 3.39Å; E448-K450 VanDerWaalsContact O-N 3.13Å
451V42.3Very low43.9Very low133 Ų133124.4 Ų124.481%0.80668%0.682SS**  trans61.2176.9164.2-103.40000115.6
452P48.8Very low42.2Very low104 Ų104128.6 Ų128.668%0.67569%0.693SS**  cis-145168.118.842.8-21.6000121.3
453S31.3Very low40Very low95 Ų95131.4 Ų131.466%0.66472%0.717SS**  trans73.4148.3141.768.60000121.4
454I32Very low38Very low152 Ų152129.9 Ų129.978%0.77973%0.727SS**  179.1155.386.5-87.9171.7000108.8
455L33.8Very low36.5Very low142 Ų142133 Ų13374%0.74375%0.746SS**  cis-170.6162.9-27.2-97.9176.8000109.5
456R27.6Very low35.5Very low232 Ų232131.6 Ų131.688%0.87576%0.758SS**  trans69.1154.6158.7-81.2-174.9170.2158.4-0.9120.2
457S27.6Very low33.9Very low110 Ų110128.4 Ų128.477%0.76976%0.757SS**  cis174.1155.7-28.652.20000108.9
458G24.6Very low32.6Very low72 Ų72134.6 Ų134.674%0.74276%0.763SS**  cis143125.60.200000111.9
459L26.9Very low31.8Very low185 Ų185135.5 Ų135.597%0.96977%0.766SS**  trans-143163-178.1-86.8175.8000114.5
460K25.9Very low30.8Very low166 Ų166135.6 Ų135.672%0.72277%0.773SS**  trans-126179.1179.2-126.5-153.7170.3-1580108.6E462K460-E462 IonicContact NZ-OE1 3.72Å; K460-E462 PolarHBondContact NZ-OE1 2.76Å
461P38.8Very low30.4Very low106 Ų106137.9 Ų137.969%0.68878%0.777SS**  cis-147.8177.431.344.5-23.5000119.2
462E26.3Very low30.1Very low139 Ų139139.9 Ų139.965%0.6578%0.775SS**  trans51.9142.1153.6-66.4-29.799.500122.8K460K460-E462 IonicContact NZ-OE1 3.72Å; K460-E462 PolarHBondContact NZ-OE1 2.76Å
463S26.3Very low29.6Very low114 Ų114142.4 Ų142.480%0.79778%0.778SS**  cis-163167.317.743.10000112.9
464G24.1Very low30.2Very low75 Ų75142 Ų14277%0.77378%0.78SS**  trans123.2107.9155.500000118.5
465L26.2Very low31Very low171 Ų171140.9 Ų140.990%0.89577%0.774SS**  trans-121153164.8-76.5175.2000108
466P36.8Very low32.2Very low130 Ų130137.8 Ų137.884%0.84476%0.761SS**  -140.7-172.852.538.2-17.5000114.5
467G24.9Very low33.7Very low67 Ų67131.2 Ų131.269%0.69175%0.748SS**  cis160.897.5-14.800000116.7
468R27.7Very low34.9Very low215 Ų215131.8 Ų131.881%0.81174%0.743SS**  trans81.3150.4143-148.5178.1-174.8-129.413120.7
469H27.1Very low36.4Very low154 Ų154133.9 Ų133.971%0.71373%0.733SS**  trans80.6142.4171.3-56.2-79.6000116.9
470A28.1Very low38Very low99 Ų99129.6 Ų129.682%0.81871%0.71SS**  cis-140.7-163.53.100000113.3
471R31.1Very low39.4Very low234 Ų234126 Ų12688%0.88370%0.698SS**  trans-114.9175-171.9-62.9177.4172.6176.2-4.7113.1
472K35.9Very low40.5Very low175 Ų175124 Ų12476%0.76169%0.691SS**  trans92.4154.4165.7-61.2155.8147.4-87.60114.6
473E39.4Very low42.3Very low158 Ų158121.5 Ų121.574%0.73869%0.689SS**  cis-137.6-170.66.8-149.6109.2-104.600111.4
474A42.1Very low44.1Very low86 Ų86122 Ų12271%0.71168%0.681SS**PPolyproline II helixtrans-96.5144.7-176.300000113.7
475I50.5Low45.7Very low129 Ų129125.6 Ų125.666%0.66268%0.682SS**PPolyproline II helixtrans-71.4142.2179.7-61.4167.7000110.6E479 I480I475-E479 HydrophobicContact CG2-CB 4.3Å; I475-I480 HydrophobicContact CG2-CD1 4.46Å; I475-I480 HydrophobicContact CG2-CG1 4.16Å
476T59.2Low46.8Very low76 Ų76120.1 Ų120.147%0.46667%0.667SS.*PPolyproline II helixtrans-103.8149.8179.568.80000112.1N478 E479T476-N478 PolarHBondContact O-N 3.2Å; T476-N478 VanDerWaalsContact O-N 3.14Å; T476-E479 VanDerWaalsContact O-CB 3.28Å; T476-E479 WeakPolarHBondContact O-CB 3.32Å; T476-E479 PolarHBondContact O-N 2.82Å
477P58.1Low46.9Very low94 Ų94122.7 Ų122.761%0.6167%0.667SS**Hα-helixtrans-63-24.5-173.822.5-33.6000114.5E479 I480 L481P477-E479 VanDerWaalsContact C-N 3.26Å; P477-E479 PolarHBondContact O-N 2.82Å; P477-I480 PolarHBondContact O-N 2.8Å; P477-L481 WeakPolarHBondContact O-CG 3.44Å; P477-L481 PolarHBondContact O-N 2.94Å
478N52.6Low47.4Very low122 Ų122127.3 Ų127.365%0.65268%0.676SS**Hα-helixtrans-68.7-25.3175.2-71.4-14000112.9T476 A482T476-N478 PolarHBondContact O-N 3.2Å; T476-N478 VanDerWaalsContact O-N 3.14Å; N478-A482 WeakPolarHBondContact O-CB 3.27Å; N478-A482 PolarHBondContact O-N 2.7Å
479E57.2Low47.7Very low117 Ų117122.9 Ų122.955%0.54768%0.678SS.*Hα-helixtrans-75-34.9176.7-161.4165.7-16200110.8I475 T476 P477 A482 S483I475-E479 HydrophobicContact CG2-CB 4.3Å; T476-E479 VanDerWaalsContact O-CB 3.28Å; T476-E479 WeakPolarHBondContact O-CB 3.32Å; T476-E479 PolarHBondContact O-N 2.82Å; P477-E479 VanDerWaalsContact C-N 3.26Å; P477-E479 PolarHBondContact O-N 2.82Å; E479-A482 PolarHBondContact O-N 3.47Å; E479-S483 PolarHBondContact O-N 2.85Å
480I59.6Low47.8Very low95 Ų95121.1 Ų121.149%0.48768%0.683SS.*Hα-helixtrans-68.6-43.7171.4-58.7174.2000110.6I475 P477 A482 S483 I484I475-I480 HydrophobicContact CG2-CD1 4.46Å; I475-I480 HydrophobicContact CG2-CG1 4.16Å; P477-I480 PolarHBondContact O-N 2.8Å; I480-A482 VanDerWaalsContact C-N 3.29Å; I480-A482 PolarHBondContact O-N 3.23Å; I480-S483 PolarHBondContact O-N 2.83Å; I480-I484 HydrophobicContact CG2-CD1 3.85Å; I480-I484 WeakPolarHBondContact O-CG1 3.49Å; I480-I484 PolarHBondContact O-N 2.75Å; I480-I484 VanDerWaalsContact O-N 3.1Å
481L56.5Low47.7Very low89 Ų89123.4 Ų123.447%0.46668%0.682SS.*Hα-helixtrans-64.3-31.5176.3-71.2169.8000112.9P477 I484 L485P477-L481 WeakPolarHBondContact O-CG 3.44Å; P477-L481 PolarHBondContact O-N 2.94Å; L481-I484 PolarHBondContact O-N 2.96Å; L481-L485 WeakPolarHBondContact O-CB 3.19Å; L481-L485 WeakPolarHBondContact O-CG 3.29Å; L481-L485 PolarHBondContact O-N 2.9Å; L481-L485 VanDerWaalsContact O-N 3.1Å
482A59.9Low47.7Very low64 Ų64119.6 Ų119.653%0.52968%0.679SS.*Hα-helixtrans-65.3-38.7174.900000112.4N478 E479 I480 G486N478-A482 WeakPolarHBondContact O-CB 3.27Å; N478-A482 PolarHBondContact O-N 2.7Å; E479-A482 PolarHBondContact O-N 3.47Å; I480-A482 VanDerWaalsContact C-N 3.29Å; I480-A482 PolarHBondContact O-N 3.23Å; A482-G486 PolarHBondContact O-N 2.9Å
483S65.4Low47.5Very low88 Ų88116 Ų11662%0.61567%0.668SS**Hα-helixtrans-70.8-40.3174.5-57.30000112.5E479 I480 L485 G486E479-S483 PolarHBondContact O-N 2.85Å; I480-S483 PolarHBondContact O-N 2.83Å; S483-L485 VanDerWaalsContact C-N 3.31Å; S483-L485 PolarHBondContact O-N 3.46Å; S483-G486 PolarHBondContact O-N 3.01Å
484I64.1Low47.2Very low123 Ų123116.7 Ų116.763%0.63167%0.669SS**Hα-helixtrans-68.8-28.5-178.8-67.8170.8000112.5I480 L481I480-I484 HydrophobicContact CG2-CD1 3.85Å; I480-I484 WeakPolarHBondContact O-CG1 3.49Å; I480-I484 PolarHBondContact O-N 2.75Å; I480-I484 VanDerWaalsContact O-N 3.1Å; L481-I484 PolarHBondContact O-N 2.96Å
485L56.9Low46.7Very low152 Ų152120.2 Ų120.280%0.79667%0.67SS**THydrogen-bonded Turntrans-97.511.1177.5-63.3172000113.1L481 S483L481-L485 WeakPolarHBondContact O-CB 3.19Å; L481-L485 WeakPolarHBondContact O-CG 3.29Å; L481-L485 PolarHBondContact O-N 2.9Å; L481-L485 VanDerWaalsContact O-N 3.1Å; S483-L485 VanDerWaalsContact C-N 3.31Å; S483-L485 PolarHBondContact O-N 3.46Å
486G50.8Low45.7Very low55 Ų55120.7 Ų120.757%0.56767%0.67SS**SBendtrans-101.7-15-166.300000117.2A482 S483A482-G486 PolarHBondContact O-N 2.9Å; S483-G486 PolarHBondContact O-N 3.01Å
487E38.9Very low44.4Very low184 Ų184125.6 Ų125.686%0.8668%0.684SS**  trans-136.181.9-163.8-64.9-172.9146.400114.2
488D33.7Very low43Very low165 Ų165130.7 Ų130.788%0.88270%0.697SS**  trans-161.581.7147.6-164.74.8000112.7
489S34Very low42.2Very low122 Ų122134.5 Ų134.585%0.85371%0.708SS**  trans-169.689.2161.4-158.10000113.3
490S30.6Very low40.9Very low116 Ų116137.1 Ų137.181%0.81172%0.717SS**  trans-174.2103.9158.7172.90000112.9
491D25.7Very low39.6Very low148 Ų148138.5 Ų138.579%0.79173%0.73SS**  -162122.3118-143.5-32000111
492D29.9Very low38.4Very low153 Ų153141.8 Ų141.882%0.81874%0.743SS**  trans-171.7100.5140.7-133.1-35.9000111.3
493D33.1Very low36.9Very low101 Ų101141.9 Ų141.954%0.5475%0.75SS.*  trans51.1100.5138-166.539.2000120.7
494K32.3Very low35.2Very low172 Ų172144 Ų14475%0.74876%0.759SS**  -177.4146.2114.4-96148.7-147.264.20115.5
495E32.3Very low33.5Very low159 Ų159144.1 Ų144.174%0.74377%0.766SS**  trans-78.4147.6171.1-53.3-169100.300113.9
496H29.2Very low32.3Very low140 Ų140142 Ų14265%0.64876%0.763SS**  146.9148.5118.5-78.8-25.5000116.4
497K31.9Very low31.1Very low179 Ų179144.3 Ų144.378%0.77878%0.777SS**  trans71.975149.4-70.4157.2-171.1163.10120.8
498K29.5Very low30.5Very low201 Ų201140.4 Ų140.487%0.87477%0.77SS**  11.4117.8124.8-61.4176.1179.1175.90118.8
499K34.7Very low30.1Very low201 Ų201139.3 Ų139.387%0.87476%0.764SS**  trans176.1115.4131.9-94.6155.7-175.5-1790107.6
500K29Very low29.8Very low173 Ų173141 Ų14175%0.75276%0.758SS**  63.4105.367.2-161.3-150.7175.3-174.50114.1
501V34Very low29.5Very low123 Ų123141 Ų14175%0.74575%0.754SS**  -171.9157115.3147.40000110.3
502E30.2Very low29.6Very low159 Ų159138.7 Ų138.774%0.74375%0.749SS**  trans-80.5-177.4-173.8-50.3113.9140.600115.3
503G27.8Very low29.4Very low66 Ų66140 Ų14068%0.6875%0.75SS**  trans108.495.116000000114.3
504V29.9Very low29.2Very low133 Ų133143.2 Ų143.281%0.80676%0.762SS**  cis64.888.543.6-168.80000113.5
505T29.7Very low28.9Very low125 Ų125142.1 Ų142.177%0.76777%0.77SS**  178.7131.7114.139.50000113.8
506S30.2Very low28.7Very low106 Ų106139.1 Ų139.174%0.74177%0.772SS**  trans49.8103.8130.7-47.90000123.3
507A26.2Very low28.8Very low105 Ų105138.6 Ų138.687%0.86878%0.779SS**  73150.9111.900000124
508S26Very low28.9Very low102 Ų102137.2 Ų137.271%0.71378%0.775SS**  trans95.597.6148.9-158.60000121.2
509L26.3Very low29.2Very low141 Ų141136.1 Ų136.174%0.73877%0.766SS**  trans55.9118.8130.3-59.6174.3000122.6
510Q27.1Very low29.1Very low157 Ų157132.9 Ų132.973%0.73475%0.753SS**  86.4126125.2-74.6178.7-3200123.6
511T24Very low29.2Very low118 Ų118130 Ų13072%0.72475%0.75SS**  trans72.5142.7137.354.10000123
512S28Very low29.5Very low99 Ų99128.7 Ų128.769%0.69275%0.747SS**  trans63.6149.6157.210.40000118.9
513E26.3Very low29.9Very low180 Ų180129.1 Ų129.184%0.84175%0.749SS**  cis-157.7-167.8-11.4-128.2165175.200111
514E28.5Very low30.5Very low169 Ų169131.7 Ų131.779%0.7975%0.752SS**  trans-38.4152.1-175.3-55.8-174.396.800119.4
515T26.3Very low30.8Very low148 Ų148129.9 Ų129.991%0.90874%0.737SS**  -170.2161.3106.420.80000112.6
516A28.8Very low30.8Very low97 Ų97127.4 Ų127.480%0.80274%0.737SS**  trans-140.2145.7-174.900000114.1
517T29.5Very low30.9Very low128 Ų128131.6 Ų131.679%0.78574%0.737SS**  trans-154.6126.3159.930.90000107.5
518Q35.8Very low31.3Very low150 Ų150133.3 Ų133.370%0.70173%0.731SS**  63.1141.775.5-70.9-154.5-8.200113.9
519R35.4Very low31.6Very low179 Ų179137 Ų13768%0.67573%0.729SS**  cis-159170.7-2.9-110.1-179.8-53.495.27.6106.7
520E31Very low31.8Very low132 Ų132139.7 Ų139.762%0.61773%0.729SS**  cis-145.7-173.74.8-134.9159.3-51.600106.7
521T31.7Very low31.9Very low112 Ų112140 Ų14069%0.68773%0.728SS**  cis-159.6-17414.5-3.50000104.5
522S41.1Very low32.1Very low97 Ų97143.8 Ų143.868%0.67873%0.729SS**  cis-178.9164.7-1344.80000105.4
523Q39.2Very low32Very low168 Ų168144.5 Ų144.579%0.78572%0.722SS**  cis-172148.4-26.3-92.2-170.324.500102.7
524T38.7Very low32Very low120 Ų120142.4 Ų142.474%0.73671%0.712SS**  cis-159.4170.9611.10000106.4
525D37.1Very low32Very low94 Ų94140.7 Ų140.750%0.50370%0.704SS.*  cis-130.5-69.514177.496.5000112.5R527D525-R527 IonicContact OD1-CZ 3.63Å; D525-R527 IonicContact OD1-NE 2.6Å; D525-R527 PolarHBondContact OD1-NE 2.91Å; D525-R527 IonicContact OD1-NH2 3.64Å; D525-R527 PolarHBondContact OD1-NH2 2.87Å; D525-R527 WeakPolarHBondContact OD2-CB 3.45Å; D525-R527 WeakPolarHBondContact OD2-CG 3.36Å; D525-R527 IonicContact OD2-CZ 3.07Å; D525-R527 IonicContact OD2-NE 3.88Å; D525-R527 PolarHBondContact OD2-NE 3.16Å; D525-R527 IonicContact OD2-NH2 3.44Å
526G30.6Very low31.9Very low74 Ų74141.5 Ų141.576%0.76370%0.697SS**  cis-173.2119.3-15.300000114.1
527R31.9Very low31.8Very low194 Ų194144.1 Ų144.173%0.73270%0.698SS**  cis-148.163.2-18.3-172.6150.8-102.6-148.5-2.1111.9D525D525-R527 IonicContact OD1-CZ 3.63Å; D525-R527 IonicContact OD1-NE 2.6Å; D525-R527 PolarHBondContact OD1-NE 2.91Å; D525-R527 IonicContact OD1-NH2 3.64Å; D525-R527 PolarHBondContact OD1-NH2 2.87Å; D525-R527 WeakPolarHBondContact OD2-CB 3.45Å; D525-R527 WeakPolarHBondContact OD2-CG 3.36Å; D525-R527 IonicContact OD2-CZ 3.07Å; D525-R527 IonicContact OD2-NE 3.88Å; D525-R527 PolarHBondContact OD2-NE 3.16Å; D525-R527 IonicContact OD2-NH2 3.44Å
528L33.9Very low31.6Very low141 Ų141146.1 Ų146.174%0.73870%0.698SS**  trans72.5169.1165.8-44.5170.9000115
529R31.3Very low31.3Very low178 Ų178142.7 Ų142.767%0.67270%0.695SS**  cis-163.7120.615.7-154.3168.4-160.7-133.913115.7
530R31.2Very low31.1Very low198 Ų198142.3 Ų142.375%0.74771%0.706SS**  trans55.4163.8143.8-55.6174.8-167.1174.1-0.7119.9
531K28.5Very low30.8Very low164 Ų164139.3 Ų139.371%0.71371%0.711SS**  cis-124174.2-1.8-67.4178.9142.7-141.60109.5E533K531-E533 IonicContact NZ-OE2 2.66Å; K531-E533 PolarHBondContact NZ-OE2 2.73Å
532R29.3Very low30.7Very low198 Ų198140.9 Ų140.975%0.74771%0.713SS**  cis66.5145.535.8-105.4-166.1-173.5-167.40.2114.6
533E26.1Very low30.1Very low114 Ų114144 Ų14453%0.53372%0.717SS.*  cis-119165.37-86.189.5-150.900109.9K531K531-E533 IonicContact NZ-OE2 2.66Å; K531-E533 PolarHBondContact NZ-OE2 2.73Å
534Q26.2Very low29.4Very low136 Ų136145.3 Ų145.364%0.63672%0.715SS**  57.9136.965.9-94.9174.5-58.900113.9
535E27.4Very low29.1Very low133 Ų133146.4 Ų146.462%0.62171%0.712SS**  cis-170.3173.43.6-150.4172.1-118.600113.6
536Q26.1Very low28.6Very low164 Ų164149 Ų14977%0.76672%0.718SS**  trans79156.9149.8-94.2175.285.100124.1
537D26.7Very low28.5Very low152 Ų152152.6 Ų152.681%0.81372%0.715SS**  trans-109.4-157.5-170.3-62.7-86000113.5
538E24.7Very low28.2Very low171 Ų171146.5 Ų146.580%0.79971%0.713SS**  trans73.183.1160.1-69.7-81.3105.800119.5
539A29.3Very low27.9Very low77 Ų77148.9 Ų148.964%0.63672%0.72SS**  52.1157.2105.800000124.4
540L31.8Very low27.6Very low171 Ų171146.8 Ų146.890%0.89573%0.727SS**  trans86.3108.9157.1-53.2-172.2000121.5
541G23.5Very low27.9Very low70 Ų70142.9 Ų142.972%0.72273%0.728SS**  trans173.6149.115200000112.4
542I29.5Very low27.8Very low145 Ų145144.2 Ų144.274%0.74474%0.736SS**  cis-163.6137.6-7-126.8163.2000109.6
543Q29.1Very low27.8Very low163 Ų163138.8 Ų138.876%0.76273%0.734SS**  trans59.9163.8155.1-66.1179.825.600120.8
544R25Very low27.9Very low194 Ų194140.6 Ų140.673%0.73275%0.747SS**  cis-176.1144.1-45.1-119-176.193.8-148.57.9110.2
545Q31Very low27.9Very low144 Ų144144.8 Ų144.867%0.67376%0.757SS**  trans72.6173.1169.4-47.2168.5105.200115.3
546K28.6Very low27.8Very low147 Ų147145.6 Ų145.664%0.63977%0.765SS**  cis-158.5152.14.6-147.7172.2178.3-1280112.9
547H26.8Very low28.6Very low150 Ų150143.5 Ų143.569%0.69477%0.766SS**  trans65.3140.9169.1-58.1-68.8000116.6
548G25.8Very low28.6Very low67 Ų67144.6 Ų144.669%0.69177%0.766SS**  cis118.41346.900000111
549E27.7Very low28.7Very low190 Ų190141.7 Ų141.789%0.88876%0.76SS**  cis-150.1176.17-85.2167.190.800112.1
550T24.7Very low28.4Very low134 Ų134144.6 Ų144.682%0.82277%0.765SS**  trans-69.3172.1178.436.90000115
551P39.3Very low28Very low117 Ų117141.7 Ų141.776%0.7676%0.759SS**  cis-150.3-166.538.744.1-20.7000119.5
552E26.4Very low28Very low191 Ų191143.6 Ų143.689%0.89376%0.761SS**  trans-11.6157.2169.5-50.9-178.7166.900119.8
553A28.1Very low27.6Very low85 Ų85142 Ų14270%0.70276%0.763SS**  cis-166.5-175.328.300000110
554L27.7Very low27.2Very low151 Ų151137.5 Ų137.579%0.79176%0.761SS**  cis-171.6171-10.4-129.1176.5000110.4
555R28Very low27.1Very low225 Ų225132.6 Ų132.685%0.84976%0.756SS**  trans82.2116.9159.1-70.6-172.8-177-171.90.8122.6
556D25.1Very low26.8Very low150 Ų150133 Ų13380%0.80276%0.758SS**  trans-65.7178.4153.2-53.6-88.3000113.3
557P42Very low26.6Very low119 Ų119134 Ų13477%0.77377%0.765SS**  cis-144.6-16519.445.3-23.6000119
558Q26.9Very low26.7Very low176 Ų176135.3 Ų135.382%0.82277%0.771SS**  trans-54174.9174.7-48.9165.3-9600114.3
559T26.2Very low26.6Very low110 Ų110139.6 Ų139.668%0.67577%0.773SS**  cis-159.7161.533.544.70000114.2
560D24.1Very low26.5Very low137 Ų137137.5 Ų137.573%0.73376%0.763SS**  trans44.8119.7141-61.8-51.2000125.2
561S22.7Very low26.5Very low111 Ų111137.9 Ų137.978%0.77676%0.756SS**  54.4133.3118.4-50.50000125.8
562S22.7Very low25.7Very low110 Ų110138.3 Ų138.377%0.76975%0.749SS**  trans99.9138.7138-154.10000122.2
563S21.1Very low25.6Very low111 Ų111136.9 Ų136.978%0.77675%0.745SS**  trans58.1161.7163.8-66.80000118
564G21.9Very low25.3Very low69 Ų69137.9 Ų137.971%0.71175%0.746SS**  cis88.5143.124.500000110.3
565S22.6Very low25.2Very low90 Ų90134.5 Ų134.563%0.62974%0.74SS**  cis-166.8-168.7-0.927.80000107.6
566E23.9Very low25.1Very low154 Ų154132.9 Ų132.972%0.7274%0.742SS**  trans66162.3169.2-65.3119.7-111.800116.6
567E25.4Very low25.1Very low167 Ų167132.1 Ų132.178%0.7874%0.738SS**  cis-159.3-160-23.6-108.7175.4-169.600107.8
568E27.8Very low24.2Very low177 Ų177134.2 Ų134.283%0.82774%0.737SS**  trans73148.4161.1-64.7177.1-164.200119.7
569E24.2Very low24.4Very low158 Ų158130.2 Ų130.274%0.73873%0.727SS**  cis-170.6176.7-33.5-136.8173.6-151.800111.1
570E25.6Very low24.3Very low146 Ų146130 Ų13068%0.68273%0.73SS**  trans64.2114.7153.5-61-84.797.700119.8
571E25.2Very low24.2Very low141 Ų141128.1 Ų128.166%0.65973%0.728SS**  87.1150.290.6-77-107.4121.500115.8
572M23.3Very low24.2Very low126 Ų126127.9 Ų127.962%0.62173%0.726SS**  cis-168.7179.6-18.6-162.8-129.8-69.800109.4
573M23.2Very low24.3Very low162 Ų162127.7 Ų127.780%0.79873%0.725SS**  trans79.9145.9165.6-57-170.8-72.300119.5
574S22.6Very low24.5Very low105 Ų105127.3 Ų127.373%0.73472%0.722SS**  cis-172.9164.4-20.9-99.80000112.4
575A25.1Very low24.7Very low80 Ų80127.6 Ų127.666%0.66171%0.713SS**  trans88117.3151.100000122.3
576E24.9Very low25Very low191 Ų191130.8 Ų130.889%0.89372%0.718SS**  66.1153.4128.6-62.3174.5178.300122.5
577D25.4Very low25.1Very low134 Ų134131.4 Ų131.472%0.71772%0.72SS**  cis-170.1123.5-35.5-167.327.5000110.8
578Q23.1Very low25.4Very low163 Ų163130.1 Ų130.176%0.76272%0.715SS**  trans51-175.7155.7-73.8-67.9-30.400119.7
579P31.5Very low25.4Very low92 Ų92128.3 Ų128.360%0.59771%0.706SS**  cis-125.6176.2-36.930.8-13.5000114.1
580S23.3Very low25.7Very low106 Ų106127.2 Ų127.274%0.74170%0.701SS**  trans66.7154142.565.30000120.5
581S23.6Very low25.9Very low98 Ų98126.6 Ų126.669%0.68570%0.698SS**  cis-176.8162.3-18.453.70000110.6
582S22.7Very low26.1Very low106 Ų106122.3 Ų122.374%0.74169%0.687SS**  trans22.2144.6141.165.30000120.7
583S23.2Very low26.3Very low106 Ų106118 Ų11874%0.74168%0.675SS**  cis172.2-174.971680000106.9
584S25.8Very low26.6Very low102 Ų102115 Ų11571%0.71368%0.676SS**  trans79.5151.8152.7-91.40000117.6
585S26.2Very low27.1Very low75 Ų75116.1 Ų116.152%0.52468%0.681SS.*  cis-163.7168.45.3-125.10000116
586E28.7Very low27.2Very low158 Ų158116.4 Ų116.474%0.73868%0.683SS**  trans88.3141.5137.5-94.7113.4-11800126.3
587E27.3Very low27.8Very low166 Ų166113.6 Ų113.678%0.77668%0.681SS**  trans73.2147.4148.8-68.5173.8-174.800123.4
588Q29.8Very low27.7Very low141 Ų141110.9 Ų110.966%0.65969%0.685SS**  cis-170.4116.4-29.6-167.61701.300114.1
589E29.1Very low27.8Very low139 Ų139108.4 Ų108.465%0.6569%0.686SS**  trans51.3-173.8152.6-50.3177.971.500121
590Q30.9Very low27.4Very low134 Ų134113.8 Ų113.863%0.62670%0.699SS**  cis-160133.9-4.7-147.8-178.97600114.5
591Q29.6Very low27.3Very low133 Ų133114.2 Ų114.262%0.62170%0.702SS**  trans52.3162.1143.4-74.2177.636.400123.8D375 V376D375-Q591 WeakPolarHBondContact OD2-CA 3.26Å; D375-Q591 PolarHBondContact OD2-N 3.18Å; V376-Q591 HydrophobicContact CG2-CB 4.37Å; V376-Q591 HydrophobicContact CG2-CG 3.8Å
592A28.8Very low27.4Very low51 Ų51114.9 Ų114.942%0.42171%0.707SS.*  cis-164.8160.9-20.600000111V376V376-A592 HydrophobicContact CG2-CB 4.02Å
593G28.2Very low27.3Very low37 Ų37114.6 Ų114.638%0.38171%0.705SS.*  trans147.6142.4167.900000119.8G374 D375G374-G593 CarbonylContact C-O 3.56Å; G374-G593 VanDerWaalsContact C-O 3.3Å; G374-G593 CarbonylContact O-C 3.58Å; D375-G593 VanDerWaalsContact C-N 3.33Å; D375-G593 VanDerWaalsContact N-N 3.14Å; D375-G593 PolarHBondContact N-O 3.03Å; D375-G593 CarbonylContact O-C 3.6Å; D375-G593 VanDerWaalsContact O-C 3.31Å; D375-G593 PolarHBondContact O-N 3.3Å
594A29.1Very low27.3Very low98 Ų98113.5 Ų113.581%0.8170%0.698SS**  trans-148.1150.4164.800000108.8
595P32.6Very low27.3Very low129 Ų129117.3 Ų117.384%0.83870%0.704SS**  -158.3-168.486.339.4-16.6000116.1
596A26.9Very low27.5Very low86 Ų86122.7 Ų122.771%0.71172%0.721SS**  trans-78-174.5156.900000110.9
597P37.4Very low27.5Very low132 Ų132124.5 Ų124.586%0.85773%0.73SS**  cis-132.2-159.62.244.4-26.3000112.9
598G24.3Very low27.8Very low76 Ų76125.9 Ų125.978%0.78474%0.736SS**  trans161.490.516100000116.8
599S23.9Very low27.8Very low112 Ų112128.4 Ų128.478%0.78375%0.748SS**  trans-73151.6167.5480000112.9
600K24Very low28.5Very low204 Ų204131.4 Ų131.489%0.88776%0.762SS**  -174.6158.8118.7-102.1171.1-176-171.80114.7
601S21.9Very low28.6Very low115 Ų115134.2 Ų134.280%0.80478%0.775SS**  trans-87154-175.944.60000114.4
602S24.3Very low28.6Very low112 Ų112136.8 Ų136.878%0.78379%0.787SS**  trans-168.5109145.7-172.30000105.3
603S21.4Very low28.7Very low101 Ų101139 Ų13971%0.70681%0.805SS**  80.5138.961.1-167.90000113.3
604S22.9Very low29.3Very low83 Ų83142.6 Ų142.658%0.5882%0.822SS**  trans80.5113.2163.9-69.90000119.3
605E26.5Very low29.7Very low182 Ų182143.8 Ų143.885%0.8582%0.821SS**  90.2142.9122.6-72.8144.9-139.300120.6
606E29.6Very low29.7Very low188 Ų188149.5 Ų149.588%0.87983%0.826SS**  trans-71.3141.7-179.5-54.7158.8177.700110.9
607E29.1Very low30.4Very low196 Ų196151.3 Ų151.392%0.91683%0.828SS**  -150.6154.8127.5-74.1-151.9139.900108.3
608E34.7Very low30.9Very low195 Ų195149.5 Ų149.591%0.91182%0.824SS**  trans-90.4123.9175.7-61.4178.8135.600110.6
609E29.7Very low31.9Very low194 Ų194151.2 Ų151.291%0.90782%0.815SS**  trans-140.5143.4152.9-77.5-158.4132.700110.5
610E42.7Very low33.5Very low201 Ų201149.2 Ų149.294%0.93981%0.805SS**  trans-80.3122.2173.9-62.5179.1113.100110.4
611E32.4Very low35.2Very low193 Ų193143.2 Ų143.290%0.90279%0.794SS**  trans-126.5138.5163.4-85.9-117.9127.300110.7
612E31Very low36.9Very low188 Ų188145.9 Ų145.988%0.87979%0.791SS**PPolyproline II helixtrans-68137.5-176.5-67.8-174.397.400112.9P614E612-P614 WeakPolarHBondContact O-CD 3.46Å
613A29.5Very low39Very low96 Ų96144.9 Ų144.979%0.79377%0.774SS**PPolyproline II helixtrans-68.2119.5166.900000110.1
614P42.3Very low41.4Very low113 Ų113147 Ų14773%0.73477%0.772SS**PPolyproline II helixtrans-67.4147-170.625.5-34.8000112.6E612 R616E612-P614 WeakPolarHBondContact O-CD 3.46Å; P614-R616 PolarHBondContact O-N 2.77Å
615P37.6Very low44Very low124 Ų124147.1 Ų147.181%0.80576%0.764SS**PPolyproline II helixtrans-62.4130.8-176.624.6-33.9000111.4V617P615-V617 PolarHBondContact O-N 2.85Å
616R32.4Very low46.7Very low249 Ų249144.5 Ų144.594%0.9475%0.752SS**  trans-59.6111.7-176.9-71.7-179.9173.4174.7-2.1111.3P614 A618P614-R616 PolarHBondContact O-N 2.77Å; R616-A618 PolarHBondContact O-N 3.19Å
617V41.9Very low49.4Very low124 Ų124140.1 Ų140.175%0.75273%0.734SS**  trans-58.5132.9172.4-177.60000109.4P615 L619P615-V617 PolarHBondContact O-N 2.85Å; V617-L619 PolarHBondContact O-N 2.98Å; V617-L619 VanDerWaalsContact O-N 3.1Å
618A46Very low52Low94 Ų94137.5 Ų137.578%0.77772%0.722SS**  trans-66110.417500000109.9R616 A620R616-A618 PolarHBondContact O-N 3.19Å; A618-A620 PolarHBondContact O-N 3.42Å
619L45.7Very low54.5Low111 Ų111134.9 Ų134.958%0.58170%0.703SS**  trans-59.4130.5175.7-55.9179.5000109V617 E623V617-L619 PolarHBondContact O-N 2.98Å; V617-L619 VanDerWaalsContact O-N 3.1Å; L619-E623 HydrophobicContact CB-CB 4.41Å; L619-E623 HydrophobicContact CB-CG 4.46Å
620A58.2Low57.5Low70 Ų70132.6 Ų132.658%0.57969%0.69SS**  trans-66.2148.7-172.400000110.8A618 K622 E623A618-A620 PolarHBondContact O-N 3.42Å; A620-K622 PolarHBondContact O-N 3.36Å; A620-E623 WeakPolarHBondContact O-CB 3.17Å; A620-E623 PolarHBondContact O-N 2.73Å
621A58.6Low59.9Low79 Ų79125.8 Ų125.865%0.65367%0.669SS**Hα-helixtrans-54.4-20.8-172.600000115.7E623 E625A621-E623 VanDerWaalsContact C-N 3.35Å; A621-E625 WeakPolarHBondContact O-CB 3.5Å; A621-E625 PolarHBondContact O-N 2.69Å
622K57.6Low62.8Low171 Ų171119.9 Ų119.974%0.74364%0.643SS**Hα-helixtrans-66-33.4171.2-68.8-171.9175.2-173.20113.4A620 E625 E626A620-K622 PolarHBondContact O-N 3.36Å; K622-E625 PolarHBondContact O-N 3.47Å; K622-E626 WeakPolarHBondContact O-CB 3.39Å; K622-E626 PolarHBondContact O-N 3.2Å
623E70Confident65.8Low90 Ų90117 Ų11742%0.42163%0.631SS.*Hα-helixtrans-75.9-36.4178.3-169.4171.5172.500111.2L619 A620 A621 E626 L627L619-E623 HydrophobicContact CB-CB 4.41Å; L619-E623 HydrophobicContact CB-CG 4.46Å; A620-E623 WeakPolarHBondContact O-CB 3.17Å; A620-E623 PolarHBondContact O-N 2.73Å; A621-E623 VanDerWaalsContact C-N 3.35Å; E623-E626 PolarHBondContact O-N 3.36Å; E623-L627 WeakPolarHBondContact O-CB 3.2Å; E623-L627 VanDerWaalsContact O-CG 3.24Å; E623-L627 WeakPolarHBondContact O-CG 3.13Å; E623-L627 PolarHBondContact O-N 2.97Å
624E70.6Confident68.9Low145 Ų145122.3 Ų122.368%0.67863%0.631SS**Hα-helixtrans-64-41.3168.9-170.6174.6-16900111.2L627 Q628E624-L627 PolarHBondContact O-N 3.17Å; E624-Q628 WeakPolarHBondContact O-CB 2.99Å; E624-Q628 PolarHBondContact O-N 2.72Å
625E77.8Confident71.4Confident87 Ų87124.5 Ų124.541%0.40762%0.624SS.*Hα-helixtrans-65.4-37.8173.8-158.7-162.8-170.200112.2A621 K622 Q628 R629A621-E625 WeakPolarHBondContact O-CB 3.5Å; A621-E625 PolarHBondContact O-N 2.69Å; K622-E625 PolarHBondContact O-N 3.47Å; E625-Q628 PolarHBondContact O-N 2.73Å; E625-R629 VanDerWaalsContact CD-CZ 3.43Å; E625-R629 WeakPolarHBondContact O-CG 3.31Å; E625-R629 PolarHBondContact O-N 2.69Å; E625-R629 IonicContact OE1-CZ 2.83Å; E625-R629 IonicContact OE1-NH1 3.65Å; E625-R629 PolarHBondContact OE1-NH1 2.99Å; E625-R629 IonicContact OE1-NH2 3.18Å; E625-R629 PolarHBondContact OE1-NH2 3.42Å; E625-R629 IonicContact OE2-CZ 2.66Å; E625-R629 IonicContact OE2-NH1 2.79Å; E625-R629 PolarHBondContact OE2-NH1 2.67Å; E625-R629 IonicContact OE2-NH2 3.44Å; E625-R629 PolarHBondContact OE2-NH2 3.47Å
626E83.8Confident74Confident127 Ų127122.3 Ų122.359%0.59361%0.606SS**Hα-helixtrans-67.7-42.2174-170.6177.2156.700111.7K622 E623 Q628 R629 K630K622-E626 WeakPolarHBondContact O-CB 3.39Å; K622-E626 PolarHBondContact O-N 3.2Å; E623-E626 PolarHBondContact O-N 3.36Å; E626-Q628 VanDerWaalsContact C-N 3.29Å; E626-Q628 PolarHBondContact O-N 3.35Å; E626-R629 PolarHBondContact O-N 3.09Å; E626-K630 VanDerWaalsContact O-CB 3.25Å; E626-K630 WeakPolarHBondContact O-CB 3.43Å; E626-K630 PolarHBondContact O-N 2.95Å
627L85.8Confident77Confident95 Ų95113 Ų11350%0.49758%0.582SS.*Hα-helixtrans-60.3-39.5171.7-74168000111.3E623 E624 K630 A631E623-L627 WeakPolarHBondContact O-CB 3.2Å; E623-L627 VanDerWaalsContact O-CG 3.24Å; E623-L627 WeakPolarHBondContact O-CG 3.13Å; E623-L627 PolarHBondContact O-N 2.97Å; E624-L627 PolarHBondContact O-N 3.17Å; L627-K630 PolarHBondContact O-N 3.14Å; L627-A631 VanDerWaalsContact O-CB 3.3Å; L627-A631 WeakPolarHBondContact O-CB 3.34Å; L627-A631 PolarHBondContact O-N 2.62Å
628Q83.3Confident79.5Confident142 Ų142109.8 Ų109.866%0.66457%0.568SS**Hα-helixtrans-67.6-41.4175.5-163.5178.93800112E624 E625 E626 A631 N632E624-Q628 WeakPolarHBondContact O-CB 2.99Å; E624-Q628 PolarHBondContact O-N 2.72Å; E625-Q628 PolarHBondContact O-N 2.73Å; E626-Q628 VanDerWaalsContact C-N 3.29Å; E626-Q628 PolarHBondContact O-N 3.35Å; Q628-A631 PolarHBondContact O-N 3.24Å; Q628-N632 WeakPolarHBondContact O-CB 3.34Å; Q628-N632 PolarHBondContact O-N 2.84Å
629R88.8Confident81.8Confident140 Ų140109.7 Ų109.753%0.52855%0.554SS.*Hα-helixtrans-60.1-46.6170.8-75.7-177.217999.910.8111.2E625 E626 A631 N632 M633E625-R629 VanDerWaalsContact CD-CZ 3.43Å; E625-R629 WeakPolarHBondContact O-CG 3.31Å; E625-R629 PolarHBondContact O-N 2.69Å; E625-R629 IonicContact OE1-CZ 2.83Å; E625-R629 IonicContact OE1-NH1 3.65Å; E625-R629 PolarHBondContact OE1-NH1 2.99Å; E625-R629 IonicContact OE1-NH2 3.18Å; E625-R629 PolarHBondContact OE1-NH2 3.42Å; E625-R629 IonicContact OE2-CZ 2.66Å; E625-R629 IonicContact OE2-NH1 2.79Å; E625-R629 PolarHBondContact OE2-NH1 2.67Å; E625-R629 IonicContact OE2-NH2 3.44Å; E625-R629 PolarHBondContact OE2-NH2 3.47Å; E626-R629 PolarHBondContact O-N 3.09Å; R629-A631 PolarHBondContact O-N 2.9Å; R629-N632 PolarHBondContact O-N 2.82Å; R629-M633 WeakPolarHBondContact O-CB 3.45Å; R629-M633 WeakPolarHBondContact O-CG 3.36Å; R629-M633 PolarHBondContact O-N 2.82Å
630K92.3Very high84.2Confident145 Ų145109.9 Ų109.963%0.6355%0.552SS**Hα-helixtrans-63.5-40.1179.1-168.4172.7-175.2173.50112E626 L627 R634E626-K630 VanDerWaalsContact O-CB 3.25Å; E626-K630 WeakPolarHBondContact O-CB 3.43Å; E626-K630 PolarHBondContact O-N 2.95Å; L627-K630 PolarHBondContact O-N 3.14Å; K630-R634 WeakPolarHBondContact O-CB 3.44Å; K630-R634 PolarHBondContact O-N 3.04Å
631A93Very high85.9Confident59 Ų59112 Ų11249%0.48855%0.55SS..Hα-helixtrans-65.7-42.617300000112.1L627 Q628 R629 R634 R635L627-A631 VanDerWaalsContact O-CB 3.3Å; L627-A631 WeakPolarHBondContact O-CB 3.34Å; L627-A631 PolarHBondContact O-N 2.62Å; Q628-A631 PolarHBondContact O-N 3.24Å; R629-A631 PolarHBondContact O-N 2.9Å; A631-R634 PolarHBondContact O-N 3.43Å; A631-R635 WeakPolarHBondContact O-CB 3.31Å; A631-R635 PolarHBondContact O-N 3.21Å
632N92.4Very high87.6Confident69 Ų69117 Ų11737%0.36955%0.552SS.*Hα-helixtrans-66.4-40.4176.7-163.514.2000111.7Q628 R629 R635 L636Q628-N632 WeakPolarHBondContact O-CB 3.34Å; Q628-N632 PolarHBondContact O-N 2.84Å; R629-N632 PolarHBondContact O-N 2.82Å; N632-R635 WeakPolarHBondContact O-CB 3.39Å; N632-R635 PolarHBondContact O-N 3.1Å; N632-R635 PolarHBondContact OD1-NE 3.14Å; N632-R635 PolarHBondContact OD1-NH2 2.89Å; N632-L636 WeakPolarHBondContact O-CG 3.36Å; N632-L636 PolarHBondContact O-N 2.72Å
633M94.3Very high89.3Confident127 Ų127114.9 Ų114.963%0.62655%0.545SS*.Hα-helixtrans-62.2-42.3171.9-73.3-60.5-66.500112.2R629 R635 L636 A637R629-M633 WeakPolarHBondContact O-CB 3.45Å; R629-M633 WeakPolarHBondContact O-CG 3.36Å; R629-M633 PolarHBondContact O-N 2.82Å; M633-R635 VanDerWaalsContact C-N 3.32Å; M633-R635 PolarHBondContact O-N 3.41Å; M633-L636 PolarHBondContact O-N 2.75Å; M633-L636 HydrophobicContact SD-CD1 4.42Å; M633-A637 WeakPolarHBondContact O-CB 3.36Å; M633-A637 PolarHBondContact O-N 3.27Å
634R94.3Very high90.6Very high208 Ų208116.6 Ų116.679%0.78555%0.551SS**Hα-helixtrans-61.8-39173.9-171176.9-177.4177.91.5111.8K630 A631 A637 A638K630-R634 WeakPolarHBondContact O-CB 3.44Å; K630-R634 PolarHBondContact O-N 3.04Å; A631-R634 PolarHBondContact O-N 3.43Å; R634-A637 PolarHBondContact O-N 3.15Å; R634-A638 WeakPolarHBondContact O-CB 3.36Å; R634-A638 PolarHBondContact O-N 3.4Å
635R94.3Very high91.8Very high158 Ų158114.2 Ų114.260%0.59654%0.539SS*.Hα-helixtrans-63.9-44.2174.4-176.6179.967.2146.70.6112.1A631 N632 M633 A638 L639A631-R635 WeakPolarHBondContact O-CB 3.31Å; A631-R635 PolarHBondContact O-N 3.21Å; N632-R635 WeakPolarHBondContact O-CB 3.39Å; N632-R635 PolarHBondContact O-N 3.1Å; N632-R635 PolarHBondContact OD1-NE 3.14Å; N632-R635 PolarHBondContact OD1-NH2 2.89Å; M633-R635 VanDerWaalsContact C-N 3.32Å; M633-R635 PolarHBondContact O-N 3.41Å; R635-A638 PolarHBondContact O-N 3.31Å; R635-L639 WeakPolarHBondContact O-CG 3.24Å; R635-L639 PolarHBondContact O-N 3.23Å; R635-L639 VanDerWaalsContact O-N 3.08Å
636L93Very high92.6Very high79 Ų79112.9 Ų112.941%0.41454%0.543SS..Hα-helixtrans-65.6-41.1176.3-70.3171.7000111.9N632 M633 L639 Q640N632-L636 WeakPolarHBondContact O-CG 3.36Å; N632-L636 PolarHBondContact O-N 2.72Å; M633-L636 PolarHBondContact O-N 2.75Å; M633-L636 HydrophobicContact SD-CD1 4.42Å; L636-L639 PolarHBondContact O-N 3.03Å; L636-Q640 WeakPolarHBondContact O-CG 3.37Å; L636-Q640 PolarHBondContact O-N 2.74Å
637A94.9Very high93.1Very high53 Ų53111.8 Ų111.844%0.43854%0.538SS..Hα-helixtrans-61.9-43.1174.800000112M633 R634 L639 Q640 Q641M633-A637 WeakPolarHBondContact O-CB 3.36Å; M633-A637 PolarHBondContact O-N 3.27Å; R634-A637 PolarHBondContact O-N 3.15Å; A637-L639 VanDerWaalsContact C-N 3.35Å; A637-L639 PolarHBondContact O-N 2.82Å; A637-Q640 PolarHBondContact O-N 3.27Å; A637-Q641 WeakPolarHBondContact O-CB 3.36Å; A637-Q641 PolarHBondContact O-N 3.18Å
638A94.8Very high93.6Very high56 Ų56113 Ų11346%0.46354%0.541SS..Hα-helixtrans-63.7-37175.900000112.9R634 R635 Q641 R642R634-A638 WeakPolarHBondContact O-CB 3.36Å; R634-A638 PolarHBondContact O-N 3.4Å; R635-A638 PolarHBondContact O-N 3.31Å; A638-Q641 PolarHBondContact O-N 3.41Å; A638-R642 PolarHBondContact O-N 3.14Å
639L94.8Very high94Very high92 Ų92111.8 Ų111.848%0.48254%0.536SS..Hα-helixtrans-66.4-42.3173.3-72.4170.6000112R635 L636 A637 Q641 R642 Q643R635-L639 WeakPolarHBondContact O-CG 3.24Å; R635-L639 PolarHBondContact O-N 3.23Å; R635-L639 VanDerWaalsContact O-N 3.08Å; L636-L639 PolarHBondContact O-N 3.03Å; A637-L639 VanDerWaalsContact C-N 3.35Å; A637-L639 PolarHBondContact O-N 2.82Å; L639-Q641 VanDerWaalsContact C-N 3.35Å; L639-R642 PolarHBondContact O-N 2.91Å; L639-Q643 WeakPolarHBondContact O-CG 3.27Å; L639-Q643 PolarHBondContact O-N 3.04Å
640Q95.4Very high94.3Very high116 Ų116112.4 Ų112.454%0.54254%0.542SS..Hα-helixtrans-66.2-35.4174.8-72.4-179-1.700112.6L636 A637 Q643 K644L636-Q640 WeakPolarHBondContact O-CG 3.37Å; L636-Q640 PolarHBondContact O-N 2.74Å; A637-Q640 PolarHBondContact O-N 3.27Å; Q640-Q643 PolarHBondContact O-N 3.23Å; Q640-K644 WeakPolarHBondContact O-CG 3.37Å; Q640-K644 PolarHBondContact O-N 3.3Å
641Q94.7Very high94.5Very high114 Ų114110.9 Ų110.953%0.53354%0.536SS..Hα-helixtrans-64.2-50.8173.4179.4176.4-21.600110.6A637 A638 L639 Q643 K644 E645A637-Q641 WeakPolarHBondContact O-CB 3.36Å; A637-Q641 PolarHBondContact O-N 3.18Å; A638-Q641 PolarHBondContact O-N 3.41Å; L639-Q641 VanDerWaalsContact C-N 3.35Å; Q641-Q643 PolarHBondContact O-N 3.02Å; Q641-K644 WeakPolarHBondContact O-CA 3.18Å; Q641-K644 WeakPolarHBondContact O-CB 3.39Å; Q641-K644 PolarHBondContact O-N 3.14Å; Q641-E645 HydrophobicContact CG-CG 4.36Å; Q641-E645 VanDerWaalsContact CG-OE1 3.26Å; Q641-E645 WeakPolarHBondContact CG-OE1 3.37Å; Q641-E645 PolarHBondContact NE2-OE1 2.61Å; Q641-E645 WeakPolarHBondContact O-CG 3.38Å; Q641-E645 PolarHBondContact O-N 3.19Å
642R93.5Very high94.4Very high184 Ų184113.9 Ų113.969%0.69454%0.543SS*.Hα-helixtrans-57.4-34.8175.3179.6176.9-78.2-161.6-5112.7A638 L639 A646A638-R642 PolarHBondContact O-N 3.14Å; L639-R642 PolarHBondContact O-N 2.91Å; R642-A646 VanDerWaalsContact O-CB 3.31Å; R642-A646 WeakPolarHBondContact O-CB 3.43Å; R642-A646 PolarHBondContact O-N 3.22Å
643Q94.6Very high94.4Very high127 Ų127114.5 Ų114.559%0.59355%0.545SS*.Hα-helixtrans-66.2-42.7173.5-76.3172.8-14.700112.3L639 Q640 Q641 A646 E647L639-Q643 WeakPolarHBondContact O-CG 3.27Å; L639-Q643 PolarHBondContact O-N 3.04Å; Q640-Q643 PolarHBondContact O-N 3.23Å; Q641-Q643 PolarHBondContact O-N 3.02Å; Q643-A646 PolarHBondContact O-N 2.85Å; Q643-E647 PolarHBondContact O-N 2.73Å
644K96.5Very high94.1Very high126 Ų126114.7 Ų114.755%0.54855%0.545SS..Hα-helixtrans-64.7-45.1174.6-71172.6-177.9177.90112.2Q640 Q641 A646 E647 E648Q640-K644 WeakPolarHBondContact O-CG 3.37Å; Q640-K644 PolarHBondContact O-N 3.3Å; Q641-K644 WeakPolarHBondContact O-CA 3.18Å; Q641-K644 WeakPolarHBondContact O-CB 3.39Å; Q641-K644 PolarHBondContact O-N 3.14Å; K644-A646 VanDerWaalsContact C-N 3.3Å; K644-A646 PolarHBondContact O-N 2.84Å; K644-E647 CarbonylContact O-C 3.46Å; K644-E647 WeakPolarHBondContact O-CB 3.24Å; K644-E647 PolarHBondContact O-N 3.46Å; K644-E647 VanDerWaalsContact O-N 3.11Å; K644-E648 WeakPolarHBondContact O-CB 3.39Å; K644-E648 WeakPolarHBondContact O-CG 3.22Å; K644-E648 PolarHBondContact O-N 2.77Å
645E94.8Very high93.9Very high94 Ų94106.5 Ų106.544%0.43952%0.524SS..Hα-helixtrans-58.7-42.1175.6-69.4164.4174.100111.1Q641 E648 H649Q641-E645 HydrophobicContact CG-CG 4.36Å; Q641-E645 VanDerWaalsContact CG-OE1 3.26Å; Q641-E645 WeakPolarHBondContact CG-OE1 3.37Å; Q641-E645 PolarHBondContact NE2-OE1 2.61Å; Q641-E645 WeakPolarHBondContact O-CG 3.38Å; Q641-E645 PolarHBondContact O-N 3.19Å; E645-E648 PolarHBondContact O-N 3.4Å; E645-H649 VanDerWaalsContact O-CB 3.31Å; E645-H649 WeakPolarHBondContact O-CB 3.5Å; E645-H649 PolarHBondContact O-N 3.45Å
646A94.4Very high93.5Very high59 Ų59101.7 Ų101.749%0.48852%0.519SS..Hα-helixtrans-67.2-36.9174.400000113R642 Q643 K644 K650R642-A646 VanDerWaalsContact O-CB 3.31Å; R642-A646 WeakPolarHBondContact O-CB 3.43Å; R642-A646 PolarHBondContact O-N 3.22Å; Q643-A646 PolarHBondContact O-N 2.85Å; K644-A646 VanDerWaalsContact C-N 3.3Å; K644-A646 PolarHBondContact O-N 2.84Å; A646-K650 VanDerWaalsContact O-CB 3.28Å; A646-K650 WeakPolarHBondContact O-CB 3.4Å; A646-K650 PolarHBondContact O-N 3.43Å
647E95.5Very high92.9Very high105 Ų105102.9 Ų102.949%0.49153%0.525SS..Hα-helixtrans-67.2-39.8171.9-84.1-168.9-150.900112.9Q643 K644 K650 K651Q643-E647 PolarHBondContact O-N 2.73Å; K644-E647 CarbonylContact O-C 3.46Å; K644-E647 WeakPolarHBondContact O-CB 3.24Å; K644-E647 PolarHBondContact O-N 3.46Å; K644-E647 VanDerWaalsContact O-N 3.11Å; E647-K650 PolarHBondContact O-N 3.35Å; E647-K651 WeakPolarHBondContact O-CB 3.42Å; E647-K651 WeakPolarHBondContact O-CD 3.33Å; E647-K651 WeakPolarHBondContact O-CG 3.4Å; E647-K651 PolarHBondContact O-N 3.39Å; E647-K651 IonicContact OE2-NZ 3.73Å; E647-K651 PolarHBondContact OE2-NZ 2.85Å
648E95.6Very high92.3Very high120 Ų120103.9 Ų103.956%0.56153%0.533SS*.Hα-helixtrans-68.2-42.3177.7-75.7169-162.200110.5K644 E645 K650 K651 L652K644-E648 WeakPolarHBondContact O-CB 3.39Å; K644-E648 WeakPolarHBondContact O-CG 3.22Å; K644-E648 PolarHBondContact O-N 2.77Å; E645-E648 PolarHBondContact O-N 3.4Å; E648-K650 VanDerWaalsContact C-N 3.34Å; E648-K650 PolarHBondContact O-N 2.86Å; E648-K651 PolarHBondContact O-N 2.77Å; E648-L652 WeakPolarHBondContact O-CB 3.34Å; E648-L652 PolarHBondContact O-N 3.06Å
649H92.4Very high91.1Very high117 Ų117107.4 Ų107.454%0.54254%0.544SS..Hα-helixtrans-61.3-41170.2-169.7-119000111.8E645 L652 I653E645-H649 VanDerWaalsContact O-CB 3.31Å; E645-H649 WeakPolarHBondContact O-CB 3.5Å; E645-H649 PolarHBondContact O-N 3.45Å; H649-L652 PolarHBondContact O-N 3.1Å; H649-I653 WeakPolarHBondContact O-CG1 3.32Å; H649-I653 PolarHBondContact O-N 3.4Å
650K95.2Very high89.6Confident153 Ų153109.2 Ų109.267%0.66555%0.554SS**Hα-helixtrans-63.8-40.2173.7-175.8177.9178.8-179.90112.4A646 E647 E648 Q654A646-K650 VanDerWaalsContact O-CB 3.28Å; A646-K650 WeakPolarHBondContact O-CB 3.4Å; A646-K650 PolarHBondContact O-N 3.43Å; E647-K650 PolarHBondContact O-N 3.35Å; E648-K650 VanDerWaalsContact C-N 3.34Å; E648-K650 PolarHBondContact O-N 2.86Å; K650-Q654 WeakPolarHBondContact O-CB 3.17Å; K650-Q654 PolarHBondContact O-N 3.49Å
651K95.1Very high88.1Confident113 Ų113110.9 Ų110.949%0.49157%0.566SS.*Hα-helixtrans-67-37.4174.7-71157-165.4159.60111.3E647 E648 Q654 G655E647-K651 WeakPolarHBondContact O-CB 3.42Å; E647-K651 WeakPolarHBondContact O-CD 3.33Å; E647-K651 WeakPolarHBondContact O-CG 3.4Å; E647-K651 PolarHBondContact O-N 3.39Å; E647-K651 IonicContact OE2-NZ 3.73Å; E647-K651 PolarHBondContact OE2-NZ 2.85Å; E648-K651 PolarHBondContact O-N 2.77Å; K651-Q654 PolarHBondContact O-N 2.85Å; K651-G655 PolarHBondContact O-N 3.46Å
652L92.9Very high86.7Confident122 Ų122108.9 Ų108.964%0.63957%0.57SS**Hα-helixtrans-65.9-45.1174.9-175.864.7000111.5E648 H649 G655 A656E648-L652 WeakPolarHBondContact O-CB 3.34Å; E648-L652 PolarHBondContact O-N 3.06Å; H649-L652 PolarHBondContact O-N 3.1Å; L652-G655 PolarHBondContact O-N 2.85Å; L652-A656 WeakPolarHBondContact O-CB 3.27Å; L652-A656 PolarHBondContact O-N 2.83Å
653I90.4Very high85.5Confident81 Ų81105.7 Ų105.742%0.41557%0.573SS.*Hα-helixtrans-59.6-48171.7-69.7164.4000110.4H649 G655 A656 L657H649-I653 WeakPolarHBondContact O-CG1 3.32Å; H649-I653 PolarHBondContact O-N 3.4Å; I653-G655 VanDerWaalsContact C-N 3.3Å; I653-G655 PolarHBondContact O-N 3.34Å; I653-A656 PolarHBondContact O-N 2.77Å; I653-A656 VanDerWaalsContact O-N 3.14Å; I653-L657 HydrophobicContact CG2-CD1 3.82Å; I653-L657 HydrophobicContact CG2-CG 4.23Å; I653-L657 VanDerWaalsContact O-CG 3.32Å; I653-L657 WeakPolarHBondContact O-CG 3.32Å; I653-L657 PolarHBondContact O-N 3.26Å
654Q89.3Confident84Confident132 Ų132105.1 Ų105.162%0.61758%0.58SS**Hα-helixtrans-60.4-39.4178.2-172.9175.9200112K650 K651 A658K650-Q654 WeakPolarHBondContact O-CB 3.17Å; K650-Q654 PolarHBondContact O-N 3.49Å; K651-Q654 PolarHBondContact O-N 2.85Å; Q654-A658 WeakPolarHBondContact O-CB 3.45Å; Q654-A658 PolarHBondContact O-N 2.93Å
655G89.9Confident81.9Confident35 Ų35105.4 Ų105.436%0.36159%0.594SS.*Hα-helixtrans-66.5-38.4173.400000113.3K651 L652 I653 N659K651-G655 PolarHBondContact O-N 3.46Å; L652-G655 PolarHBondContact O-N 2.85Å; I653-G655 VanDerWaalsContact C-N 3.3Å; I653-G655 PolarHBondContact O-N 3.34Å; G655-N659 PolarHBondContact O-ND2 3.02Å
656A85Confident80.1Confident58 Ų58107.5 Ų107.548%0.47961%0.614SS.*Hα-helixtrans-65.3-46.3174.400000111.6L652 I653 A658 N659L652-A656 WeakPolarHBondContact O-CB 3.27Å; L652-A656 PolarHBondContact O-N 2.83Å; I653-A656 PolarHBondContact O-N 2.77Å; I653-A656 VanDerWaalsContact O-N 3.14Å; A656-A658 PolarHBondContact O-N 3.32Å; A656-N659 PolarHBondContact O-N 3.27Å
657L82.1Confident78Confident103 Ų103111.6 Ų111.654%0.53963%0.633SS.*Hα-helixtrans-63.2-39.7177.8-67.4174.6000112.2I653 N659 L660I653-L657 HydrophobicContact CG2-CD1 3.82Å; I653-L657 HydrophobicContact CG2-CG 4.23Å; I653-L657 VanDerWaalsContact O-CG 3.32Å; I653-L657 WeakPolarHBondContact O-CG 3.32Å; I653-L657 PolarHBondContact O-N 3.26Å; L657-N659 PolarHBondContact O-N 3.09Å; L657-L660 HydrophobicContact CD2-CD1 3.95Å; L657-L660 WeakPolarHBondContact O-CB 3.31Å; L657-L660 PolarHBondContact O-N 2.95Å
658A81.8Confident75.6Confident74 Ų74109.8 Ų109.861%0.61264%0.642SS**THydrogen-bonded Turntrans-61.8-14.4177.200000114.3Q654 A656Q654-A658 WeakPolarHBondContact O-CB 3.45Å; Q654-A658 PolarHBondContact O-N 2.93Å; A656-A658 PolarHBondContact O-N 3.32Å
659N68.1Low73.6Confident130 Ų130114.6 Ų114.670%0.69566%0.661SS**THydrogen-bonded Turntrans-92.2-3.6174.5-74.6-79.1000113.7G655 A656 L657G655-N659 PolarHBondContact O-ND2 3.02Å; A656-N659 PolarHBondContact O-N 3.27Å; L657-N659 PolarHBondContact O-N 3.09Å
660L65.2Low71.1Confident130 Ų130118.9 Ų118.968%0.68167%0.673SS**THydrogen-bonded Turntrans-89.5-24.6-177.2-62.6178.1000113.8L657 A662L657-L660 HydrophobicContact CD2-CD1 3.95Å; L657-L660 WeakPolarHBondContact O-CB 3.31Å; L657-L660 PolarHBondContact O-N 2.95Å; L660-A662 PolarHBondContact O-N 3.19Å
661D63.2Low68.8Low151 Ų151119.9 Ų119.981%0.80768%0.684SS**SBendtrans-80.96179.4-70.2-30.6000114P663D661-P663 WeakPolarHBondContact O-CD 3.35Å
662A66.1Low66.2Low73 Ų73118.2 Ų118.260%0.60368%0.683SS**SBendtrans-86.8112.1176.700000111.5L660L660-A662 PolarHBondContact O-N 3.19Å
663P66.9Low63.3Low117 Ų117122 Ų12276%0.7669%0.694SS**PPolyproline II helixtrans-67.2141.3-177.826.6-34.4000112.3D661D661-P663 WeakPolarHBondContact O-CD 3.35Å
664P63.8Low60.5Low115 Ų115120.7 Ų120.775%0.74770%0.701SS**PPolyproline II helixtrans-73.8137.6-170.228.1-35.3000113.5
665P51Low58.1Low131 Ų131119.4 Ų119.485%0.85171%0.707SS**PPolyproline II helixtrans-73.2132-178.528.7-34.7000112.9
666T56.9Low55.5Low138 Ų138124.4 Ų124.485%0.84773%0.725SS**  trans-89.5106.6-170.750.40000114
667T50.4Low53.1Low146 Ų146127.9 Ų127.990%0.89674%0.736SS**  trans-149.4147.2153.853.60000110.7
668G45.8Very low50.9Low66 Ų66130 Ų13068%0.6874%0.743SS**  cis151.479.4-800000114.4
669K54.2Low48.8Very low221 Ų221133.2 Ų133.296%0.96175%0.745SS**  trans-161.3148.1157.6-103.9136.5-169.4173.30110.9
670R40.5Very low47.1Very low207 Ų207132.7 Ų132.778%0.78174%0.739SS**  trans-152.2134.6-156.8169.6-172.3171.6177-0110.3V672R670-V672 HydrophobicContact CG-CG2 3.75Å
671I45.1Very low45.5Very low174 Ų174133.2 Ų133.289%0.89274%0.736SS**  trans-133.7144.8150.1-61.5-175000106.4
672V41.2Very low43.8Very low78 Ų78132.8 Ų132.847%0.47373%0.729SS.*  trans-142.6156.4-167.7162.60000108.6R670R670-V672 HydrophobicContact CG-CG2 3.75Å
673F31.4Very low42Very low201 Ų201136.5 Ų136.588%0.88273%0.733SS**  trans146.8144144.4-84.4-66.8000110.4
674G33.1Very low40.1Very low55 Ų55136.4 Ų136.457%0.56773%0.73SS**  cis-117160.8-9.300000111.1
675S38Very low38.2Very low105 Ų105136.6 Ų136.673%0.73473%0.73SS**  98.9143.470.564.70000110.3
676D34.7Very low36.9Very low140 Ų140135 Ų13575%0.74972%0.721SS**  cis-150.4151.28.1-121.31.1000113.2
677D36Very low35.5Very low130 Ų130132.9 Ų132.970%0.69572%0.718SS**  trans58.5144.6140.9-91.74.1000125.8
678E36.5Very low34.4Very low149 Ų149131.9 Ų131.970%0.69671%0.711SS**  trans70.4136.1146.6-56.5-100.1116.200121
679E37.6Very low33.6Very low140 Ų140136.6 Ų136.665%0.65472%0.716SS**  cis-157.6167.3-30.3-131.5-158171.900111.4
680E32Very low32.6Very low120 Ų120132.4 Ų132.456%0.56170%0.699SS**  trans42120.2151.9-72.1-159.1145.800125
681K31Very low32.2Very low141 Ų141126.3 Ų126.361%0.61369%0.688SS**  91.6139.5127.9-72.9173.6-175.9150.30119.8
682Q28Very low31.6Very low141 Ų141125.2 Ų125.266%0.65968%0.677SS**  67.5124.860.1-127.7-166.3-60.800109.3
683E28.3Very low31.2Very low151 Ų151131 Ų13171%0.70670%0.696SS**  cis-136.7151.229.6-83.9-177.2150.300111.4
684V26Very low31.9Very low115 Ų115126.6 Ų126.670%0.69769%0.688SS**  76.2151.153.8176.60000112.8
685V23.9Very low31.8Very low120 Ų120129.9 Ų129.973%0.72769%0.691SS**  trans62111.6-179.8-76.20000117.5
686S24.3Very low31.3Very low97 Ų97132.6 Ų132.668%0.67869%0.69SS**  85.611364.286.30000113
687A26.9Very low31Very low93 Ų93132.7 Ų132.777%0.76969%0.686SS**  96.3-160.884.800000111.1
688V28.7Very low30.5Very low126 Ų126132.5 Ų132.576%0.76469%0.685SS**  trans69.2128.1-175.4179.30000112.6
689E29Very low30.3Very low165 Ų165129.8 Ų129.877%0.77168%0.683SS**  cis-176-178.4-20-117.7160.7-176.700104.4
690E33.5Very low29.8Very low132 Ų132131.9 Ų131.962%0.61769%0.693SS**  cis-158.8162.614.2-137.9-157.3-16400104.5K692E690-K692 IonicContact OE1-NZ 3.65Å; E690-K692 PolarHBondContact OE1-NZ 2.95Å; E690-K692 IonicContact OE2-NZ 2.73Å; E690-K692 PolarHBondContact OE2-NZ 3.1Å
691S31.1Very low29.7Very low79 Ų79130.8 Ų130.855%0.55270%0.698SS**  cis-174.7159.924.763.20000114.5
692K32.1Very low29.7Very low152 Ų152132.2 Ų132.266%0.66171%0.707SS**  trans59.2118141.9-65.3148.7-157.81520118.1E690E690-K692 IonicContact OE1-NZ 3.65Å; E690-K692 PolarHBondContact OE1-NZ 2.95Å; E690-K692 IonicContact OE2-NZ 2.73Å; E690-K692 PolarHBondContact OE2-NZ 3.1Å
693K33.5Very low29.5Very low200 Ų200133.1 Ų133.187%0.8772%0.717SS**  cis54.2157.148.3-73.5-171.2176.1178.50114.4
694P45.6Very low29.7Very low108 Ų108133.7 Ų133.770%0.70172%0.719SS**  cis-118.4-144.2-330.1-5.6000110
695L30.8Very low29.9Very low123 Ų123131.9 Ų131.964%0.64472%0.716SS**  cis-164178.50.5-160.540000110.3
696F28.2Very low30.1Very low162 Ų162132.7 Ų132.771%0.71172%0.722SS**  trans73.6138.4155.8-66.3-47.9000120.1
697Q27.6Very low30.4Very low142 Ų142131.8 Ų131.866%0.66472%0.72SS**  cis-162.3150.2-13.9-166.1156.15.900113.2
698D26Very low30.5Very low126 Ų126135.6 Ų135.667%0.67473%0.728SS**  trans18.3157.9152.8-65.5-50.6000123.8
699S31.4Very low30.4Very low93 Ų93133 Ų13365%0.6573%0.727SS**  cis-176.9-174.9-20.1-97.90000109.2
700Q29.1Very low30.4Very low184 Ų184130.1 Ų130.186%0.8673%0.73SS**  trans81.4137168.8-50.9-173.4-48.400115.8
701S29.9Very low30.2Very low97 Ų97128.9 Ų128.968%0.67874%0.743SS**  cis-147.4137.2058.90000109.8
702E29.2Very low30.2Very low171 Ų171130 Ų13080%0.79976%0.757SS**  52.9115.597.8-53.6164.7-152.400113.1
703D25.6Very low30Very low160 Ų160127.8 Ų127.886%0.85677%0.767SS**  cis101149.521-155.413.8000115.5
704E31.7Very low29.9Very low163 Ų163124.9 Ų124.976%0.76276%0.761SS**  trans79.5141.3173.3-83.2-68.4-174.600124.2
705A29.7Very low29.3Very low77 Ų77126.7 Ų126.764%0.63676%0.76SS**  trans59.4152.1154.200000121.6
706T28.4Very low29.3Very low137 Ų137127.6 Ų127.684%0.8477%0.766SS**  cis-171.5168.5-1831.30000107
707A30Very low29.4Very low78 Ų78124.1 Ų124.165%0.64577%0.766SS**  cis-171.5160.8-31.100000109.4
708D28.6Very low30.2Very low173 Ų173122.2 Ų122.293%0.92577%0.766SS**  trans60.2148.1170.6-61.2-45.8000119.3
709G27.6Very low30.4Very low72 Ų72124.4 Ų124.474%0.74277%0.772SS**  cis-164.7-168-300000109.4
710A28.8Very low30.4Very low103 Ų103129.2 Ų129.285%0.85178%0.782SS**  cis-165.9-166.55.300000110.9
711A29.4Very low30.3Very low106 Ų106124.6 Ų124.688%0.87678%0.775SS**  trans82.2104.816000000120.2
712A30.6Very low30.3Very low104 Ų104128 Ų12886%0.8678%0.78SS**  trans-80.7172.6179.300000116.7
713A29.5Very low30.1Very low104 Ų104129.5 Ų129.586%0.8678%0.778SS**  trans-143.7151.2150.900000110
714N29.7Very low30.3Very low140 Ų140128.6 Ų128.675%0.74977%0.773SS**  trans-163.9159.5-175.6-167.74.1000111.7
715Q34.6Very low30.4Very low146 Ų146130.2 Ų130.268%0.68278%0.777SS**  trans75143.8166.5-57.3-164.430.500117
716N30.5Very low31.4Very low142 Ų142132.1 Ų132.176%0.75978%0.783SS**  cis-155.5174.10.1-108.6-16.6000113
717A29.1Very low31.6Very low88 Ų88131.1 Ų131.173%0.72778%0.782SS**  trans-90.6-153.5175.500000111.8
718P45.2Very low32.2Very low102 Ų102131 Ų13166%0.66279%0.788SS**  cis-144.9-166.6-4.7254.2000116.8
719H30.2Very low33.4Very low172 Ų172128.4 Ų128.480%0.79678%0.78SS**  trans105.6104.3149.8-63.4-61.3000123.8
720K30.2Very low34.2Very low195 Ų195134.8 Ų134.885%0.84878%0.782SS**  33.4106.4121.5-163.4179.9-178.5-174.10122.8
721A28.7Very low34.8Very low87 Ų87138.2 Ų138.272%0.71979%0.785SS**  trans78.5154.8133.400000124.2
722E29.4Very low35.3Very low168 Ų168140.1 Ų140.179%0.78577%0.774SS**  trans88.9126.4166.4-69.4-142.6-162.900122.9
723R25.8Very low35.6Very low202 Ų202142.7 Ų142.776%0.76277%0.773SS**  trans54115142.3-75-174.6160.2-125.7-4.6123.4
724L29.6Very low35.9Very low141 Ų141144.9 Ų144.974%0.73877%0.771SS**  trans77.3124.4130.2-59.3169.6000121.5
725K33.8Very low36.5Very low198 Ų198142.3 Ų142.386%0.86176%0.763SS**  trans-13.7160.3146.9-65.8-178.2179.5-1740118.7
726P50.9Low36.8Very low117 Ų117144.1 Ų144.176%0.7677%0.772SS**  cis-142.5177.1-9.138.4-18.2000117.7
727S31Very low37.2Very low115 Ų115144.6 Ų144.680%0.80477%0.774SS**  trans59.594.2136.9-1790000123.7
728G42.3Very low37.8Very low75 Ų75147 Ų14777%0.77378%0.775SS**  trans57-166.1141.300000120
729P55.1Low37.5Very low119 Ų119149.4 Ų149.477%0.77378%0.782SS**  cis-138.2176.3-17.143.2-27.5000115.6
730R44.2Very low37.9Very low206 Ų206150.9 Ų150.978%0.77779%0.79SS**  trans55.7135.8150-75.1-179.2169.2-139.4-6.4122.7F732R730-F732 HydrophobicContact CG-CD2 4.34Å; R730-F732 HydrophobicContact CG-CE2 3.92Å; R730-F732 VanDerWaalsContact CZ-CE2 3.47Å
731L40.2Very low38.2Very low176 Ų176151.2 Ų151.292%0.92179%0.794SS**  trans-136.2147.7149.6-93.5161.3000107.7
732F41.1Very low38.5Very low145 Ų145150.6 Ų150.664%0.63680%0.797SS**  trans-143.7139.7178.7-88.4-93.8000109.9R730R730-F732 HydrophobicContact CG-CD2 4.34Å; R730-F732 HydrophobicContact CG-CE2 3.92Å; R730-F732 VanDerWaalsContact CZ-CE2 3.47Å
733D37Very low38.9Very low158 Ų158149.6 Ų149.685%0.84580%0.796SS**  trans169.1114147.4-86-11.4000104.8
734D36.1Very low39.6Very low151 Ų151149.3 Ų149.381%0.80780%0.804SS**  97.3135.181.1-160.542000109.7
735S41.3Very low40.5Very low85 Ų85151.5 Ų151.559%0.59481%0.81SS**  cis-152.5156.720.260.10000114.1
736E41.3Very low41.3Very low184 Ų184151.3 Ų151.386%0.8681%0.812SS**  trans15.5137.8148-60.1165.7145.500119.9
737D37.8Very low41Very low152 Ų152150.9 Ų150.981%0.81380%0.804SS**  -160.216462.9-1629.5000113.3
738D42.4Very low41.7Very low139 Ų139148.4 Ų148.474%0.74380%0.796SS**  trans-68.7168.4-167.1-60.5-25.1000115.9
739D39.3Very low42.2Very low152 Ų152149.7 Ų149.781%0.81379%0.793SS**  cis-163.8123.92.6-129.4-16.7000108.6
740E37.9Very low42.1Very low204 Ų204152.9 Ų152.995%0.95379%0.79SS**  trans-178106.7150.5-159151.9-136.100110.2
741E37.7Very low42.2Very low202 Ų202150.8 Ų150.894%0.94479%0.787SS**  trans-136.7134.5-177.3-172.2175.3-156.300110.6
742G33.5Very low43.1Very low74 Ų74148.2 Ų148.276%0.76377%0.774SS**  cis-159168-0.800000113.9
743D39.5Very low44Very low146 Ų146146.1 Ų146.178%0.78177%0.769SS**  trans-129.1119.4-176.3161.435.3000108.9
744E39.6Very low45.4Very low196 Ų196145.4 Ų145.492%0.91675%0.754SS**  trans-152.369.8165.8-71.8-160.7176.200111.4
745E48Very low46.9Very low188 Ų188141.9 Ų141.988%0.87974%0.739SS**  trans-106.846.2172.1-86.2-85.2-163.900112.7
746E50.2Low48Very low194 Ų194138.6 Ų138.691%0.90772%0.715SS**SBendtrans-148.647.9174.8-150.5-180-164.400116.5
747D46Very low48.8Very low107 Ų107135.2 Ų135.257%0.57270%0.697SS**  trans-143.329.9160-158.927.5000114.6R750D747-R750 VanDerWaalsContact OD1-CB 3.25Å; D747-R750 WeakPolarHBondContact OD1-CB 3.33Å
748G46Very low50.5Low63 Ų63133.7 Ų133.765%0.64969%0.685SS**G310 helixtrans-63.1-56.2-18000000114.1R750 F751G748-R750 PolarHBondContact O-N 3.48Å; G748-F751 PolarHBondContact O-N 2.93Å
749S52.3Low52.2Low102 Ų102129 Ų12971%0.71367%0.669SS**G310 helixtrans-7214-173.3-54.80000116.1D752S749-D752 WeakPolarHBondContact CA-OD1 3.34Å
750R53.5Low54Low186 Ų186126.4 Ų126.470%0.70266%0.661SS**G310 helixtrans-86.7-19.3170.8-170.3169.1-167.9104.411.5112.7D747 G748D747-R750 VanDerWaalsContact OD1-CB 3.25Å; D747-R750 WeakPolarHBondContact OD1-CB 3.33Å; G748-R750 PolarHBondContact O-N 3.48Å
751F45.2Very low55.9Low163 Ų163118.5 Ų118.572%0.71563%0.631SS**SBendtrans-128.932.5-177.6-68.6-78000113.1G748 I753G748-F751 PolarHBondContact O-N 2.93Å; F751-I753 PolarHBondContact O-N 3.19Å
752D59.4Low57.9Low121 Ų121109 Ų10965%0.64759%0.587SS**  trans-51107167.5-66.3-21.4000109.3S749S749-D752 WeakPolarHBondContact CA-OD1 3.34Å
753I60Low60.1Low102 Ų102111.8 Ų111.852%0.52358%0.58SS.*  trans-69.1135.9-179.5-61.2179.6000107.2F751 F757 E758F751-I753 PolarHBondContact O-N 3.19Å; I753-F757 HydrophobicContact CG2-CB 3.93Å; I753-E758 HydrophobicContact CG2-CB 4.32Å
754R65.9Low62.1Low142 Ų142110.9 Ų110.954%0.53657%0.569SS.*  trans-55.4136.2175-89.4-177168.5-144.90.6109.5E756 F757 E758R754-E756 IonicContact CZ-OE2 2.69Å; R754-E756 IonicContact NH1-OE2 3.76Å; R754-E756 PolarHBondContact NH1-OE2 2.95Å; R754-E756 PolarHBondContact O-N 3.33Å; R754-F757 HydrophobicContact CB-CD2 3.77Å; R754-F757 HydrophobicContact CB-CE2 4.46Å; R754-F757 WeakPolarHBondContact O-CA 3.41Å; R754-F757 PolarHBondContact O-N 3.41Å; R754-E758 PolarHBondContact O-N 2.98Å
755P68Low63.9Low77 Ų77101.7 Ų101.750%0.553%0.526SS..G310 helixtrans-55.2-27.6177-28.935.8000114.2F757 E758 G762P755-F757 PolarHBondContact O-N 3.41Å; P755-F757 VanDerWaalsContact O-N 3.08Å; P755-E758 PolarHBondContact O-N 3.17Å; P755-G762 WeakPolarHBondContact O-CA 3.41Å
756E64.9Low65.3Low17 Ų1797 Ų978%0.07951%0.505CS..G310 helixtrans-59.4-10.1170.6-59.6170.3156.600114.1R754 L765 Q769 R779R754-E756 IonicContact CZ-OE2 2.69Å; R754-E756 IonicContact NH1-OE2 3.76Å; R754-E756 PolarHBondContact NH1-OE2 2.95Å; R754-E756 PolarHBondContact O-N 3.33Å; E756-L765 HydrophobicContact CG-CD2 4.43Å; E756-Q769 PolarHBondContact OE1-NE2 3.41Å; E756-Q769 PolarHBondContact OE1-OE1 3.5Å; E756-R779 IonicContact OE1-CZ 3.83Å; E756-R779 IonicContact OE1-NE 2.77Å; E756-R779 PolarHBondContact OE1-NE 2.94Å; E756-R779 IonicContact OE1-NH2 3.65Å; E756-R779 PolarHBondContact OE1-NH2 2.84Å; E756-R779 IonicContact OE2-NH2 2.73Å; E756-R779 PolarHBondContact OE2-NH2 3.48Å
757F58Low66.7Low112 Ų11293.4 Ų93.449%0.49149%0.489SS..G310 helixtrans-136.56.5-173.3-62.1-89.3000113.5I753 R754 P755 M766I753-F757 HydrophobicContact CG2-CB 3.93Å; R754-F757 HydrophobicContact CB-CD2 3.77Å; R754-F757 HydrophobicContact CB-CE2 4.46Å; R754-F757 WeakPolarHBondContact O-CA 3.41Å; R754-F757 PolarHBondContact O-N 3.41Å; P755-F757 PolarHBondContact O-N 3.41Å; P755-F757 VanDerWaalsContact O-N 3.08Å; F757-M766 HydrophobicContact CD1-SD 4.25Å; F757-M766 HydrophobicContact CE1-CE 3.81Å; F757-M766 HydrophobicContact CE1-SD 3.78Å; F757-M766 HydrophobicContact CZ-CE 4.2Å; F757-M766 HydrophobicContact CZ-SD 4.38Å
758E73.4Confident68Low120 Ų12091.3 Ų91.356%0.56148%0.477SS*.SBendtrans-102.9123.9-177.2-170.6170.1-154.200111.9I753 R754 P755 G762I753-E758 HydrophobicContact CG2-CB 4.32Å; R754-E758 PolarHBondContact O-N 2.98Å; P755-E758 PolarHBondContact O-N 3.17Å; E758-G762 VanDerWaalsContact O-CA 3.24Å; E758-G762 WeakPolarHBondContact O-CA 3.3Å; E758-G762 PolarHBondContact O-N 3.09Å
759G78.4Confident69.1Low40 Ų4089.2 Ų89.241%0.41245%0.451SS..Hα-helixtrans65.5-176.1178.200000115.7A761 Q763G759-A761 VanDerWaalsContact C-N 3.26Å; G759-Q763 PolarHBondContact O-N 2.66Å
760P76.6Confident70.2Confident98 Ų9888.6 Ų88.664%0.63645%0.446SS*.Hα-helixtrans-68.8-27.4173.229.1-34.2000111.9Q763 K764P760-Q763 PolarHBondContact O-N 2.85Å; P760-K764 PolarHBondContact O-N 3.28Å
761A77.4Confident71.3Confident39 Ų3988.5 Ų88.532%0.32245%0.446SS..Hα-helixtrans-67-46.1176.200000111.9G759 Q763 K764 L765 L785G759-A761 VanDerWaalsContact C-N 3.26Å; A761-Q763 VanDerWaalsContact C-N 3.26Å; A761-Q763 PolarHBondContact O-N 2.8Å; A761-K764 WeakPolarHBondContact O-CB 3.43Å; A761-K764 PolarHBondContact O-N 2.94Å; A761-K764 VanDerWaalsContact O-N 3.15Å; A761-L765 PolarHBondContact O-N 2.8Å; A761-L785 HydrophobicContact CB-CD1 3.78Å; A761-L785 HydrophobicContact CB-CD2 4.02Å; A761-L785 WeakPolarHBondContact O-CD2 3.45Å
762G80.6Confident72Confident2 Ų287.5 Ų87.52%0.02144%0.441CS..Hα-helixtrans-59.7-34.5172.300000113P755 E758 L765 M766P755-G762 WeakPolarHBondContact O-CA 3.41Å; E758-G762 VanDerWaalsContact O-CA 3.24Å; E758-G762 WeakPolarHBondContact O-CA 3.3Å; E758-G762 PolarHBondContact O-N 3.09Å; G762-L765 WeakPolarHBondContact O-CB 3.43Å; G762-L765 PolarHBondContact O-N 3.36Å; G762-M766 WeakPolarHBondContact O-CB 3.5Å; G762-M766 PolarHBondContact O-N 3.31Å
763Q80.2Confident72.2Confident133 Ų13385 Ų8562%0.62145%0.445SS*.Hα-helixtrans-67.2-42173.4-68177.53900112.7G759 P760 A761 L765 M766 E767G759-Q763 PolarHBondContact O-N 2.66Å; P760-Q763 PolarHBondContact O-N 2.85Å; A761-Q763 VanDerWaalsContact C-N 3.26Å; A761-Q763 PolarHBondContact O-N 2.8Å; Q763-L765 VanDerWaalsContact C-N 3.3Å; Q763-L765 PolarHBondContact O-N 3.29Å; Q763-M766 PolarHBondContact O-N 3.24Å; Q763-E767 PolarHBondContact O-N 2.91Å
764K80.5Confident72.2Confident126 Ų12685.6 Ų85.655%0.54845%0.453SS..Hα-helixtrans-58.1-44.1170.6-69.1178.8179.7178.40110.8P760 A761 E767 L768P760-K764 PolarHBondContact O-N 3.28Å; A761-K764 WeakPolarHBondContact O-CB 3.43Å; A761-K764 PolarHBondContact O-N 2.94Å; A761-K764 VanDerWaalsContact O-N 3.15Å; K764-E767 PolarHBondContact O-N 3.38Å; K764-L768 WeakPolarHBondContact O-CG 3.41Å; K764-L768 PolarHBondContact O-N 2.92Å
765L77.4Confident72.3Confident3 Ų381.3 Ų81.32%0.01644%0.441CS..Hα-helixtrans-60.9-45.2177.7-163.480.5000111.7E756 A761 G762 Q763 L768 Q769 L780 D781 L785E756-L765 HydrophobicContact CG-CD2 4.43Å; A761-L765 PolarHBondContact O-N 2.8Å; G762-L765 WeakPolarHBondContact O-CB 3.43Å; G762-L765 PolarHBondContact O-N 3.36Å; Q763-L765 VanDerWaalsContact C-N 3.3Å; Q763-L765 PolarHBondContact O-N 3.29Å; L765-L768 PolarHBondContact O-N 3.29Å; L765-Q769 VanDerWaalsContact O-CB 3.29Å; L765-Q769 WeakPolarHBondContact O-CB 3.35Å; L765-Q769 PolarHBondContact O-N 2.92Å; L765-L780 HydrophobicContact CD1-CB 3.77Å; L765-L780 WeakPolarHBondContact CD2-O 3.33Å; L765-L780 HydrophobicContact CG-CB 4.24Å; L765-D781 WeakPolarHBondContact CD1-O 3.3Å; L765-L785 HydrophobicContact CD1-CD2 4.48Å; L765-L785 HydrophobicContact CD1-CG 4.33Å
766M77.7Confident72.3Confident89 Ų8985 Ų8544%0.43845%0.452SS..Hα-helixtrans-65.1-40.6176.6-170.3-172.8-179.900112.2F757 G762 Q763 Q769 S770F757-M766 HydrophobicContact CD1-SD 4.25Å; F757-M766 HydrophobicContact CE1-CE 3.81Å; F757-M766 HydrophobicContact CE1-SD 3.78Å; F757-M766 HydrophobicContact CZ-CE 4.2Å; F757-M766 HydrophobicContact CZ-SD 4.38Å; G762-M766 WeakPolarHBondContact O-CB 3.5Å; G762-M766 PolarHBondContact O-N 3.31Å; Q763-M766 PolarHBondContact O-N 3.24Å; M766-Q769 CarbonylContact O-C 3.57Å; M766-Q769 PolarHBondContact O-N 3.5Å; M766-S770 WeakPolarHBondContact O-CB 3.48Å; M766-S770 PolarHBondContact O-N 2.83Å
767E78.3Confident72.7Confident119 Ų11993.7 Ų93.756%0.55648%0.483SS*.Hα-helixtrans-65.8-41.4176.8-170.9176.4177.100111.1Q763 K764 S770 R771Q763-E767 PolarHBondContact O-N 2.91Å; K764-E767 PolarHBondContact O-N 3.38Å; E767-S770 WeakPolarHBondContact O-CB 3.25Å; E767-S770 PolarHBondContact O-N 2.8Å; E767-S770 PolarHBondContact O-OG 2.84Å; E767-R771 PolarHBondContact O-N 2.68Å
768L73.4Confident72.9Confident63 Ų6395.6 Ų95.633%0.3349%0.492SS..Hα-helixtrans-61.4-46.8171.8-70.5166.7000111.7K764 L765 S770 R771 F772 L780K764-L768 WeakPolarHBondContact O-CG 3.41Å; K764-L768 PolarHBondContact O-N 2.92Å; L765-L768 PolarHBondContact O-N 3.29Å; L768-S770 PolarHBondContact O-N 3.05Å; L768-R771 WeakPolarHBondContact O-CB 3.26Å; L768-R771 PolarHBondContact O-N 2.93Å; L768-F772 WeakPolarHBondContact O-CD2 2.96Å; L768-F772 PolarHBondContact O-N 2.6Å; L768-L780 HydrophobicContact CB-CD1 3.57Å
769Q70.4Confident72.6Confident20 Ų2093.7 Ų93.79%0.09348%0.48CS..Hα-helixtrans-67.6-15.6176.7-162.1-174.637.900113.1E756 L765 M766 T774 L780E756-Q769 PolarHBondContact OE1-NE2 3.41Å; E756-Q769 PolarHBondContact OE1-OE1 3.5Å; L765-Q769 VanDerWaalsContact O-CB 3.29Å; L765-Q769 WeakPolarHBondContact O-CB 3.35Å; L765-Q769 PolarHBondContact O-N 2.92Å; M766-Q769 CarbonylContact O-C 3.57Å; M766-Q769 PolarHBondContact O-N 3.5Å; Q769-T774 HydrophobicContact CG-CG2 4.47Å; Q769-L780 HydrophobicContact CB-CD1 4.48Å
770S75.8Confident72.1Confident89 Ų8993.3 Ų93.362%0.62247%0.468SS*.Hα-helixtrans-80.7-23170.982.10000113.2M766 E767 L768M766-S770 WeakPolarHBondContact O-CB 3.48Å; M766-S770 PolarHBondContact O-N 2.83Å; E767-S770 WeakPolarHBondContact O-CB 3.25Å; E767-S770 PolarHBondContact O-N 2.8Å; E767-S770 PolarHBondContact O-OG 2.84Å; L768-S770 PolarHBondContact O-N 3.05Å
771R74.7Confident71.9Confident183 Ų18391.9 Ų91.969%0.69146%0.455SS*.Hα-helixtrans-84.4-34.6178.3-69.3171.8163.2-168.3-2.9112.4E767 L768E767-R771 PolarHBondContact O-N 2.68Å; L768-R771 WeakPolarHBondContact O-CB 3.26Å; L768-R771 PolarHBondContact O-N 2.93Å
772F62Low71.4Confident142 Ų14293.5 Ų93.562%0.62346%0.464SS*.SBendtrans-103.1108.9175.2-56.3-72.1000109L768L768-F772 WeakPolarHBondContact O-CD2 2.96Å; L768-F772 PolarHBondContact O-N 2.6Å
773G62.8Low70.9Confident70 Ų70102.8 Ų102.872%0.72250%0.498SS*.  trans-51.1140.3-171.400000113.7D775G773-D775 VanDerWaalsContact C-N 3.3Å; G773-D775 PolarHBondContact O-N 3.15Å
774T60.1Low70.2Confident113 Ų113102.3 Ų102.369%0.69349%0.494SS*.  trans-72.970.5-163.560.90000114.6Q769Q769-T774 HydrophobicContact CG-CG2 4.47Å
775D68.6Low69.3Low53 Ų5398.7 Ų98.728%0.28348%0.481SS..  trans-76.3127.3162.1-174.3-22.5000109.3G773 R777 F778G773-D775 VanDerWaalsContact C-N 3.3Å; G773-D775 PolarHBondContact O-N 3.15Å; D775-R777 PolarHBondContact O-N 3.12Å; D775-R777 VanDerWaalsContact O-N 3.12Å; D775-R777 VanDerWaalsContact OD1-CB 3.28Å; D775-R777 WeakPolarHBondContact OD1-CB 3.41Å; D775-R777 VanDerWaalsContact OD1-CG 3.31Å; D775-R777 WeakPolarHBondContact OD1-CG 3.49Å; D775-R777 PolarHBondContact OD1-N 2.74Å; D775-R777 IonicContact OD1-NE 2.72Å; D775-R777 PolarHBondContact OD1-NE 3.41Å; D775-R777 VanDerWaalsContact OD1-NE 3.08Å; D775-R777 IonicContact OD2-CZ 3.09Å; D775-R777 IonicContact OD2-NE 2.62Å; D775-R777 PolarHBondContact OD2-NE 3.41Å; D775-R777 IonicContact OD2-NH2 2.82Å; D775-R777 PolarHBondContact OD2-NH2 3.07Å; D775-F778 HydrophobicContact CB-CD2 4.06Å; D775-F778 CarbonylContact O-C 3.54Å; D775-F778 PolarHBondContact O-N 3.1Å
776E67.1Low68.5Low155 Ų155107.4 Ų107.472%0.72452%0.521SS*.G310 helixtrans-64.8-16.4-179.1-58.6-159.6126.400113.4F778 R779E776-F778 VanDerWaalsContact C-N 3.27Å; E776-F778 PolarHBondContact O-N 2.84Å; E776-R779 IonicContact OE1-NH1 3.81Å
777R72.5Confident67.1Low198 Ų198111.5 Ų111.575%0.74755%0.545SS*.G310 helixtrans-75-14.9173.4-58.7176.2-65.8173.43.1113.5D775D775-R777 PolarHBondContact O-N 3.12Å; D775-R777 VanDerWaalsContact O-N 3.12Å; D775-R777 VanDerWaalsContact OD1-CB 3.28Å; D775-R777 WeakPolarHBondContact OD1-CB 3.41Å; D775-R777 VanDerWaalsContact OD1-CG 3.31Å; D775-R777 WeakPolarHBondContact OD1-CG 3.49Å; D775-R777 PolarHBondContact OD1-N 2.74Å; D775-R777 IonicContact OD1-NE 2.72Å; D775-R777 PolarHBondContact OD1-NE 3.41Å; D775-R777 VanDerWaalsContact OD1-NE 3.08Å; D775-R777 IonicContact OD2-CZ 3.09Å; D775-R777 IonicContact OD2-NE 2.62Å; D775-R777 PolarHBondContact OD2-NE 3.41Å; D775-R777 IonicContact OD2-NH2 2.82Å; D775-R777 PolarHBondContact OD2-NH2 3.07Å
778F62.5Low65.6Low153 Ų153113.7 Ų113.767%0.67156%0.555SS**G310 helixtrans-131.736.9-173.8-60.1-71.5000112.5D775 E776 L780D775-F778 HydrophobicContact CB-CD2 4.06Å; D775-F778 CarbonylContact O-C 3.54Å; D775-F778 PolarHBondContact O-N 3.1Å; E776-F778 VanDerWaalsContact C-N 3.27Å; E776-F778 PolarHBondContact O-N 2.84Å; F778-L780 PolarHBondContact O-N 2.92Å
779R68.1Low64Low80 Ų80119.6 Ų119.630%0.30258%0.581SS.*  trans-62.7131.9167.2-53.8-167.590.1896.6109.1E756 E776 D781E756-R779 IonicContact OE1-CZ 3.83Å; E756-R779 IonicContact OE1-NE 2.77Å; E756-R779 PolarHBondContact OE1-NE 2.94Å; E756-R779 IonicContact OE1-NH2 3.65Å; E756-R779 PolarHBondContact OE1-NH2 2.84Å; E756-R779 IonicContact OE2-NH2 2.73Å; E756-R779 PolarHBondContact OE2-NH2 3.48Å; E776-R779 IonicContact OE1-NH1 3.81Å; R779-D781 PolarHBondContact O-N 2.96Å
780L67.6Low62.6Low31 Ų31127 Ų12716%0.16262%0.616CS.*  trans-76.5115.2170.3-64.2170.7000107.7L765 L768 Q769 F778 F784L765-L780 HydrophobicContact CD1-CB 3.77Å; L765-L780 WeakPolarHBondContact CD2-O 3.33Å; L765-L780 HydrophobicContact CG-CB 4.24Å; L768-L780 HydrophobicContact CB-CD1 3.57Å; Q769-L780 HydrophobicContact CB-CD1 4.48Å; F778-L780 PolarHBondContact O-N 2.92Å; L780-F784 HydrophobicContact CB-CB 4.47Å; L780-F784 HydrophobicContact CB-CD2 4.3Å; L780-F784 HydrophobicContact CB-CG 4.5Å; L780-F784 HydrophobicContact CD2-CB 4.18Å; L780-F784 HydrophobicContact CD2-CD1 3.83Å; L780-F784 HydrophobicContact CD2-CD2 3.94Å; L780-F784 HydrophobicContact CD2-CE1 4.13Å; L780-F784 HydrophobicContact CD2-CE2 4.23Å; L780-F784 HydrophobicContact CD2-CG 3.72Å; L780-F784 HydrophobicContact CD2-CZ 4.32Å
781D73.3Confident60.5Low68 Ų68131.9 Ų131.936%0.36463%0.629SS.*  trans-80.5170.1170.9-72.5-22.5000111.2L765 R779 R783 F784L765-D781 WeakPolarHBondContact CD1-O 3.3Å; R779-D781 PolarHBondContact O-N 2.96Å; D781-R783 HydrophobicContact CB-CB 4.46Å; D781-R783 PolarHBondContact O-N 2.89Å; D781-R783 IonicContact OD2-CZ 2.67Å; D781-R783 IonicContact OD2-NE 3.24Å; D781-R783 PolarHBondContact OD2-NE 3.39Å; D781-R783 IonicContact OD2-NH2 2.72Å; D781-R783 PolarHBondContact OD2-NH2 3.5Å; D781-F784 PolarHBondContact O-N 2.92Å
782S66.6Low58.8Low73 Ų73131.8 Ų131.851%0.5164%0.636SS.*G310 helixtrans-52.4-20170.251.40000114.5F784 L785S782-F784 PolarHBondContact O-N 3.02Å; S782-L785 WeakPolarHBondContact O-CB 3.27Å; S782-L785 PolarHBondContact O-N 3.02Å; S782-L785 VanDerWaalsContact O-N 3.09Å
783R69Low57.5Low198 Ų198133.3 Ų133.375%0.74765%0.645SS**G310 helixtrans-65.7-7.6172.8-61.8179.6-75.4165.8-5.3114.9D781D781-R783 HydrophobicContact CB-CB 4.46Å; D781-R783 PolarHBondContact O-N 2.89Å; D781-R783 IonicContact OD2-CZ 2.67Å; D781-R783 IonicContact OD2-NE 3.24Å; D781-R783 PolarHBondContact OD2-NE 3.39Å; D781-R783 IonicContact OD2-NH2 2.72Å; D781-R783 PolarHBondContact OD2-NH2 3.5Å
784F65.5Low56Low123 Ų123135.9 Ų135.954%0.53965%0.647SS.*G310 helixtrans-103.54.4173.9-67.1-90000113L780 D781 S782L780-F784 HydrophobicContact CB-CB 4.47Å; L780-F784 HydrophobicContact CB-CD2 4.3Å; L780-F784 HydrophobicContact CB-CG 4.5Å; L780-F784 HydrophobicContact CD2-CB 4.18Å; L780-F784 HydrophobicContact CD2-CD1 3.83Å; L780-F784 HydrophobicContact CD2-CD2 3.94Å; L780-F784 HydrophobicContact CD2-CE1 4.13Å; L780-F784 HydrophobicContact CD2-CE2 4.23Å; L780-F784 HydrophobicContact CD2-CG 3.72Å; L780-F784 HydrophobicContact CD2-CZ 4.32Å; D781-F784 PolarHBondContact O-N 2.92Å; S782-F784 PolarHBondContact O-N 3.02Å
785L62.8Low55.1Low50 Ų50139.6 Ų139.626%0.26266%0.656SS.*SBendtrans-85.2120.7161.9-61.7164.2000106.6A761 L765 S782A761-L785 HydrophobicContact CB-CD1 3.78Å; A761-L785 HydrophobicContact CB-CD2 4.02Å; A761-L785 WeakPolarHBondContact O-CD2 3.45Å; L765-L785 HydrophobicContact CD1-CD2 4.48Å; L765-L785 HydrophobicContact CD1-CG 4.33Å; S782-L785 WeakPolarHBondContact O-CB 3.27Å; S782-L785 PolarHBondContact O-N 3.02Å; S782-L785 VanDerWaalsContact O-N 3.09Å
786E59.1Low53.5Low186 Ų186143.4 Ų143.487%0.86968%0.682SS**  trans-74.6132.8170.9-62.8-176.9148.900108.3E788E786-E788 PolarHBondContact O-N 3.24Å
787D49.9Very low52.4Low174 Ų174145 Ų14593%0.9369%0.689SS**  trans-70.875.1-177.3-64.6-55.1000111.3E789D787-E789 PolarHBondContact O-N 3.4Å
788E45.5Very low50.7Low166 Ų166143.2 Ų143.278%0.77669%0.687SS**  trans-81.4108.8172.1-169.2167.2-137.300109.4E786E786-E788 PolarHBondContact O-N 3.24Å
789E40Very low49.4Very low186 Ų186137.9 Ų137.987%0.86968%0.675SS**  trans-62.4130.1-172-167.3168.3-161.600112.3D787 E791D787-E789 PolarHBondContact O-N 3.4Å; E789-E791 PolarHBondContact O-N 3.08Å
790E40.4Very low48.5Very low176 Ų176139.5 Ų139.582%0.82270%0.696SS**  trans-82.877.8-162.3-167.3169.7-126.500113.5
791E32.5Very low47.4Very low192 Ų192145 Ų14590%0.89772%0.723SS**  trans-91.695.8161.7-76.8-160.8148.800111.2E789 E793E789-E791 PolarHBondContact O-N 3.08Å; E791-E793 PolarHBondContact O-N 2.95Å
792E39.4Very low46.4Very low181 Ų181146.8 Ų146.885%0.84673%0.729SS**  trans-67118.3164.7-70.3-164121.700111.1
793E33.5Very low46Very low173 Ų173148.6 Ų148.681%0.80873%0.732SS**  -172.7139.5116.3-110-168.6-168.300115.5E791E791-E793 PolarHBondContact O-N 2.95Å
794T32.1Very low45.9Very low125 Ų125144.9 Ų144.977%0.76772%0.724SS**  trans72.1114.3164.2660000120.4
795E40.5Very low46.1Very low190 Ų190145.4 Ų145.489%0.88873%0.728SS**  trans-63.4132.9166.3-58-179.1121.400112.7
796V35.3Very low46.8Very low134 Ų134145.6 Ų145.681%0.81274%0.736SS**  trans-133.9123.8146.2-178.90000108.7K798V796-K798 PolarHBondContact O-N 2.88Å
797Q44.4Very low47.5Very low187 Ų187140.8 Ų140.887%0.87472%0.716SS**  trans-60.1102.3-177.1-65.4175.5-8.100112.4G799Q797-G799 PolarHBondContact O-N 3.23Å
798K37.1Very low48.9Very low161 Ų161138.6 Ų138.670%0.770%0.701SS**  trans-82.7104.7153-86.1-163.9168.9-163.10108.6V796 E802V796-K798 PolarHBondContact O-N 2.88Å; K798-E802 VanDerWaalsContact CE-OE1 3.3Å; K798-E802 WeakPolarHBondContact CE-OE1 3.48Å; K798-E802 VanDerWaalsContact CE-OE2 3.24Å; K798-E802 WeakPolarHBondContact CE-OE2 3.41Å; K798-E802 IonicContact NZ-OE1 2.84Å; K798-E802 PolarHBondContact NZ-OE1 2.79Å; K798-E802 IonicContact NZ-OE2 2.75Å; K798-E802 PolarHBondContact NZ-OE2 2.66Å
799G35.4Very low50.7Low42 Ų42135.4 Ų135.443%0.43369%0.686SS.*  trans-75.2166.4173.300000112.2Q797 M801Q797-G799 PolarHBondContact O-N 3.23Å; G799-M801 PolarHBondContact O-N 2.83Å
800P48.9Very low52.9Low113 Ų113131.7 Ų131.773%0.73467%0.668SS**THydrogen-bonded Turntrans-7229.9-175.432.9-39.1000114.2
801M43.9Very low55.2Low148 Ų148129 Ų12973%0.72965%0.654SS**Hα-helixtrans-99.6-28.5-173.2-161.1179.2-59.300112.2G799 E805G799-M801 PolarHBondContact O-N 2.83Å; M801-E805 PolarHBondContact O-N 3.45Å; M801-E805 VanDerWaalsContact O-N 3.09Å
802E51.4Low58Low105 Ų105127.1 Ų127.149%0.49164%0.643SS.*Hα-helixtrans-69.4-40.2173.2-71.6-172.9173.100111.4K798 E804 E805 A806K798-E802 VanDerWaalsContact CE-OE1 3.3Å; K798-E802 WeakPolarHBondContact CE-OE1 3.48Å; K798-E802 VanDerWaalsContact CE-OE2 3.24Å; K798-E802 WeakPolarHBondContact CE-OE2 3.41Å; K798-E802 IonicContact NZ-OE1 2.84Å; K798-E802 PolarHBondContact NZ-OE1 2.79Å; K798-E802 IonicContact NZ-OE2 2.75Å; K798-E802 PolarHBondContact NZ-OE2 2.66Å; E802-E804 VanDerWaalsContact C-N 3.34Å; E802-E804 PolarHBondContact O-N 3.18Å; E802-E805 PolarHBondContact O-N 3.25Å; E802-A806 WeakPolarHBondContact O-CB 3.43Å; E802-A806 PolarHBondContact O-N 3.47Å
803D58.8Low60.5Low110 Ų110123.4 Ų123.459%0.58862%0.624SS**Hα-helixtrans-66.6-36.4176.6-55.4-54000111.8A806 L807D803-A806 PolarHBondContact O-N 3.43Å; D803-L807 WeakPolarHBondContact O-CB 3.43Å; D803-L807 WeakPolarHBondContact O-CG 3.33Å; D803-L807 PolarHBondContact O-N 2.99Å
804E66.4Low63Low121 Ų121119.5 Ų119.557%0.56561%0.608SS**Hα-helixtrans-66.6-41.8174.2-167.7167.8-143.400111.2E802 L807 E808E802-E804 VanDerWaalsContact C-N 3.34Å; E802-E804 PolarHBondContact O-N 3.18Å; E804-L807 PolarHBondContact O-N 3.08Å; E804-E808 WeakPolarHBondContact O-CB 3.34Å; E804-E808 WeakPolarHBondContact O-CG 3.45Å; E804-E808 PolarHBondContact O-N 3.46Å
805E71.3Confident65.5Low134 Ų134119 Ų11963%0.62660%0.6SS**Hα-helixtrans-65.2-40.8174.1-174.3166.4-152.100112.2M801 E802 E808 E809M801-E805 PolarHBondContact O-N 3.45Å; M801-E805 VanDerWaalsContact O-N 3.09Å; E802-E805 PolarHBondContact O-N 3.25Å; E805-E808 PolarHBondContact O-N 2.97Å; E805-E809 PolarHBondContact O-N 3.27Å
806A77.6Confident67.6Low53 Ų53113.5 Ų113.544%0.43858%0.583SS.*Hα-helixtrans-61.8-46.3174.600000111.7E802 D803 E808 E809 E810E802-A806 WeakPolarHBondContact O-CB 3.43Å; E802-A806 PolarHBondContact O-N 3.47Å; D803-A806 PolarHBondContact O-N 3.43Å; A806-E808 PolarHBondContact O-N 3.3Å; A806-E809 WeakPolarHBondContact O-CB 3.4Å; A806-E809 PolarHBondContact O-N 2.88Å; A806-E810 PolarHBondContact O-N 3Å
807L74.1Confident70.2Confident86 Ų86111.6 Ų111.645%0.4557%0.567SS.*Hα-helixtrans-67.2-32.7176.1-71.1169.8000112.4D803 E804 E810 K811D803-L807 WeakPolarHBondContact O-CB 3.43Å; D803-L807 WeakPolarHBondContact O-CG 3.33Å; D803-L807 PolarHBondContact O-N 2.99Å; E804-L807 PolarHBondContact O-N 3.08Å; L807-E810 PolarHBondContact O-N 2.59Å; L807-K811 WeakPolarHBondContact O-CB 3.36Å; L807-K811 WeakPolarHBondContact O-CD 3.28Å; L807-K811 WeakPolarHBondContact O-CG 3.27Å; L807-K811 PolarHBondContact O-N 2.89Å
808E77.7Confident71.9Confident128 Ų128107.3 Ų107.360%0.59855%0.55SS*.Hα-helixtrans-65.9-41.9169.6-79.4-155.216800111.9E804 E805 A806 E810 K811 K812E804-E808 WeakPolarHBondContact O-CB 3.34Å; E804-E808 WeakPolarHBondContact O-CG 3.45Å; E804-E808 PolarHBondContact O-N 3.46Å; E805-E808 PolarHBondContact O-N 2.97Å; A806-E808 PolarHBondContact O-N 3.3Å; E808-E810 VanDerWaalsContact C-N 3.33Å; E808-E810 PolarHBondContact O-N 3.43Å; E808-K811 PolarHBondContact O-N 2.84Å; E808-K812 WeakPolarHBondContact O-CB 3.48Å; E808-K812 PolarHBondContact O-N 2.97Å
809E84.5Confident74Confident99 Ų99104 Ų10446%0.46354%0.537SS..Hα-helixtrans-60.2-42.4173-76.3-14314900111.9E805 A806 K812 K813E805-E809 PolarHBondContact O-N 3.27Å; A806-E809 WeakPolarHBondContact O-CB 3.4Å; A806-E809 PolarHBondContact O-N 2.88Å; E809-K812 CarbonylContact O-C 3.31Å; E809-K812 WeakPolarHBondContact O-CB 3.46Å; E809-K812 PolarHBondContact O-N 2.98Å; E809-K813 WeakPolarHBondContact O-CB 3.49Å; E809-K813 WeakPolarHBondContact O-CD 3.41Å; E809-K813 WeakPolarHBondContact O-CG 3.49Å; E809-K813 PolarHBondContact O-N 3.13Å; E809-K813 VanDerWaalsContact OE2-CE 3.3Å; E809-K813 WeakPolarHBondContact OE2-CE 3.3Å; E809-K813 IonicContact OE2-NZ 3.42Å; E809-K813 PolarHBondContact OE2-NZ 3.1Å
810E86Confident76.2Confident108 Ų108106.3 Ų106.351%0.50555%0.547SS..Hα-helixtrans-67.5-45177.4-69.3-160.8154.100112.7A806 L807 E808 K812 K813 N814A806-E810 PolarHBondContact O-N 3Å; L807-E810 PolarHBondContact O-N 2.59Å; E808-E810 VanDerWaalsContact C-N 3.33Å; E808-E810 PolarHBondContact O-N 3.43Å; E810-K812 PolarHBondContact O-N 3.09Å; E810-K813 PolarHBondContact O-N 3.47Å; E810-K813 VanDerWaalsContact O-N 3.16Å; E810-N814 WeakPolarHBondContact O-CB 3.29Å; E810-N814 PolarHBondContact O-N 2.87Å; E810-N814 PolarHBondContact O-ND2 3.31Å
811K89.1Confident77.9Confident120 Ų120106.4 Ų106.452%0.52254%0.544SS..Hα-helixtrans-56.3-38.3171.9-70.3158.8-165.3161.90111.2L807 E808 L815L807-K811 WeakPolarHBondContact O-CB 3.36Å; L807-K811 WeakPolarHBondContact O-CD 3.28Å; L807-K811 WeakPolarHBondContact O-CG 3.27Å; L807-K811 PolarHBondContact O-N 2.89Å; E808-K811 PolarHBondContact O-N 2.84Å; K811-L815 WeakPolarHBondContact O-CB 3.34Å; K811-L815 WeakPolarHBondContact O-CG 3.46Å; K811-L815 PolarHBondContact O-N 3.43Å
812K90.1Very high79.5Confident152 Ų152105.2 Ų105.266%0.66154%0.54SS*.Hα-helixtrans-72.5-38.9176.4-177.1-179178.2-1750113.3E808 E809 E810 S816E808-K812 WeakPolarHBondContact O-CB 3.48Å; E808-K812 PolarHBondContact O-N 2.97Å; E809-K812 CarbonylContact O-C 3.31Å; E809-K812 WeakPolarHBondContact O-CB 3.46Å; E809-K812 PolarHBondContact O-N 2.98Å; E810-K812 PolarHBondContact O-N 3.09Å; K812-S816 WeakPolarHBondContact O-CB 3.44Å; K812-S816 PolarHBondContact O-N 2.67Å
813K91.3Very high79.7Confident102 Ų102103 Ų10344%0.44355%0.547SS..Hα-helixtrans-60.9-46.5171.3-70.9155.3-165.5159.50109.5E809 E810 S816 I817E809-K813 WeakPolarHBondContact O-CB 3.49Å; E809-K813 WeakPolarHBondContact O-CD 3.41Å; E809-K813 WeakPolarHBondContact O-CG 3.49Å; E809-K813 PolarHBondContact O-N 3.13Å; E809-K813 VanDerWaalsContact OE2-CE 3.3Å; E809-K813 WeakPolarHBondContact OE2-CE 3.3Å; E809-K813 IonicContact OE2-NZ 3.42Å; E809-K813 PolarHBondContact OE2-NZ 3.1Å; E810-K813 PolarHBondContact O-N 3.47Å; E810-K813 VanDerWaalsContact O-N 3.16Å; K813-S816 WeakPolarHBondContact O-CB 3.45Å; K813-S816 PolarHBondContact O-N 3.05Å; K813-I817 VanDerWaalsContact O-CG1 3.3Å; K813-I817 WeakPolarHBondContact O-CG1 3.04Å; K813-I817 PolarHBondContact O-N 3.38Å
814N86.5Confident79.4Confident91 Ų91101.2 Ų101.249%0.48754%0.54SS..Hα-helixtrans-66.2-41.6178.7-66.8-18.6000112.7E810 S816 I817 L818E810-N814 WeakPolarHBondContact O-CB 3.29Å; E810-N814 PolarHBondContact O-N 2.87Å; E810-N814 PolarHBondContact O-ND2 3.31Å; N814-S816 PolarHBondContact O-N 2.94Å; N814-I817 PolarHBondContact O-N 3.35Å; N814-L818 WeakPolarHBondContact O-CB 3.1Å; N814-L818 WeakPolarHBondContact O-CG 3.27Å; N814-L818 PolarHBondContact O-N 2.88Å
815L84.5Confident78.9Confident115 Ų115101 Ų10160%0.60255%0.551SS**Hα-helixtrans-63.4-38.1172-80.2166.1000112.7K811 L818 Q819K811-L815 WeakPolarHBondContact O-CB 3.34Å; K811-L815 WeakPolarHBondContact O-CG 3.46Å; K811-L815 PolarHBondContact O-N 3.43Å; L815-L818 PolarHBondContact O-N 2.91Å; L815-Q819 WeakPolarHBondContact O-CB 3.37Å; L815-Q819 PolarHBondContact O-N 2.86Å
816S85.8Confident77.8Confident75 Ų75102.4 Ų102.452%0.52456%0.558SS.*Hα-helixtrans-65.3-42174.1-172.60000111.7K812 K813 N814 Q819 S820K812-S816 WeakPolarHBondContact O-CB 3.44Å; K812-S816 PolarHBondContact O-N 2.67Å; K813-S816 WeakPolarHBondContact O-CB 3.45Å; K813-S816 PolarHBondContact O-N 3.05Å; N814-S816 PolarHBondContact O-N 2.94Å; S816-Q819 PolarHBondContact O-N 2.92Å; S816-S820 WeakPolarHBondContact O-CB 3.26Å; S816-S820 PolarHBondContact O-N 3.13Å
817I90Very high76.3Confident94 Ų94109 Ų10948%0.48258%0.58SS.*Hα-helixtrans-60.9-50.2173.5-68.8161.7000110K813 N814 Q819 S820 V821K813-I817 VanDerWaalsContact O-CG1 3.3Å; K813-I817 WeakPolarHBondContact O-CG1 3.04Å; K813-I817 PolarHBondContact O-N 3.38Å; N814-I817 PolarHBondContact O-N 3.35Å; I817-Q819 VanDerWaalsContact C-N 3.34Å; I817-Q819 PolarHBondContact O-N 3.15Å; I817-S820 WeakPolarHBondContact O-CA 3.31Å; I817-S820 WeakPolarHBondContact O-CB 3.42Å; I817-S820 PolarHBondContact O-N 3.49Å; I817-S820 PolarHBondContact O-OG 3.48Å; I817-V821 HydrophobicContact CG2-CG2 4.39Å; I817-V821 WeakPolarHBondContact O-CG2 2.94Å; I817-V821 PolarHBondContact O-N 2.87Å
818L80.5Confident74.5Confident96 Ų96110 Ų11050%0.50360%0.6SS.*Hα-helixtrans-57.8-42.7176.3-74167.8000112.3N814 L815 S820 V821 L822N814-L818 WeakPolarHBondContact O-CB 3.1Å; N814-L818 WeakPolarHBondContact O-CG 3.27Å; N814-L818 PolarHBondContact O-N 2.88Å; L815-L818 PolarHBondContact O-N 2.91Å; L818-S820 VanDerWaalsContact C-N 3.31Å; L818-S820 PolarHBondContact O-N 3.31Å; L818-V821 PolarHBondContact O-N 2.9Å; L818-L822 VanDerWaalsContact O-CB 3.27Å; L818-L822 WeakPolarHBondContact O-CB 3.46Å; L818-L822 VanDerWaalsContact O-CG 3.28Å; L818-L822 WeakPolarHBondContact O-CG 3.21Å; L818-L822 PolarHBondContact O-N 2.96Å
819Q80.8Confident72.5Confident92 Ų92109 Ų10943%0.4361%0.607SS.*Hα-helixtrans-63.1-37.2175.2-171.3173.423.400111.9L815 S816 I817 G823 T824L815-Q819 WeakPolarHBondContact O-CB 3.37Å; L815-Q819 PolarHBondContact O-N 2.86Å; S816-Q819 PolarHBondContact O-N 2.92Å; I817-Q819 VanDerWaalsContact C-N 3.34Å; I817-Q819 PolarHBondContact O-N 3.15Å; Q819-G823 PolarHBondContact O-N 3.18Å; Q819-G823 VanDerWaalsContact O-N 3.1Å; Q819-T824 WeakPolarHBondContact CG-O 3.5Å; Q819-T824 PolarHBondContact NE2-O 2.99Å; Q819-T824 PolarHBondContact O-N 3.41Å
820S80.8Confident70.8Confident91 Ų91109.7 Ų109.764%0.63662%0.623SS**Hα-helixtrans-70-35176.879.10000113.1S816 I817 L818S816-S820 WeakPolarHBondContact O-CB 3.26Å; S816-S820 PolarHBondContact O-N 3.13Å; I817-S820 WeakPolarHBondContact O-CA 3.31Å; I817-S820 WeakPolarHBondContact O-CB 3.42Å; I817-S820 PolarHBondContact O-N 3.49Å; I817-S820 PolarHBondContact O-OG 3.48Å; L818-S820 VanDerWaalsContact C-N 3.31Å; L818-S820 PolarHBondContact O-N 3.31Å
821V84.3Confident68.7Low114 Ų114113.5 Ų113.569%0.69164%0.638SS**Hα-helixtrans-77.7-38.1178.5171.40000111.6I817 L818 G823I817-V821 HydrophobicContact CG2-CG2 4.39Å; I817-V821 WeakPolarHBondContact O-CG2 2.94Å; I817-V821 PolarHBondContact O-N 2.87Å; L818-V821 PolarHBondContact O-N 2.9Å; V821-G823 VanDerWaalsContact C-N 3.29Å; V821-G823 PolarHBondContact O-N 3.28Å
822L77.6Confident66.2Low123 Ų123113.7 Ų113.764%0.64465%0.649SS**Hα-helixtrans-78.1-11.5176.9-68.3166.7000113.2L818 T824L818-L822 VanDerWaalsContact O-CB 3.27Å; L818-L822 WeakPolarHBondContact O-CB 3.46Å; L818-L822 VanDerWaalsContact O-CG 3.28Å; L818-L822 WeakPolarHBondContact O-CG 3.21Å; L818-L822 PolarHBondContact O-N 2.96Å; L822-T824 HydrophobicContact CB-CG2 4.49Å; L822-T824 PolarHBondContact O-N 3.28Å; L822-T824 VanDerWaalsContact O-N 3.13Å
823G56.2Low63.9Low60 Ų60111.6 Ų111.662%0.61966%0.661SS**THydrogen-bonded Turntrans67.37.5179.400000115Q819 V821 S825Q819-G823 PolarHBondContact O-N 3.18Å; Q819-G823 VanDerWaalsContact O-N 3.1Å; V821-G823 VanDerWaalsContact C-N 3.29Å; V821-G823 PolarHBondContact O-N 3.28Å; G823-S825 VanDerWaalsContact C-N 3.32Å; G823-S825 PolarHBondContact O-N 2.91Å
824T53.3Low61.4Low72 Ų72118 Ų11844%0.44268%0.682SS.*  trans-83.668.3-172.243.10000112.3Q819 L822 Q826Q819-T824 WeakPolarHBondContact CG-O 3.5Å; Q819-T824 PolarHBondContact NE2-O 2.99Å; Q819-T824 PolarHBondContact O-N 3.41Å; L822-T824 HydrophobicContact CB-CG2 4.49Å; L822-T824 PolarHBondContact O-N 3.28Å; L822-T824 VanDerWaalsContact O-N 3.13Å; T824-Q826 PolarHBondContact O-N 2.98Å
825S55.1Low59.4Low116 Ų116123.5 Ų123.581%0.81170%0.701SS**  trans-70.780.5167.2-163.40000110.7G823G823-S825 VanDerWaalsContact C-N 3.32Å; G823-S825 PolarHBondContact O-N 2.91Å
826Q48.4Very low57.3Low163 Ų163122.9 Ų122.976%0.76271%0.713SS**  trans-105.5133.7168.4-69.5-166.7-4.900110T824 A828T824-Q826 PolarHBondContact O-N 2.98Å; Q826-A828 PolarHBondContact O-N 2.92Å
827Q46.4Very low56.2Low192 Ų192128.9 Ų128.990%0.89773%0.73SS**  trans-74.4120.1-176.5-63.9177.1-50.300110.7S829Q827-S829 VanDerWaalsContact C-N 3.34Å; Q827-S829 PolarHBondContact O-N 3.45Å
828A36.5Very low54.8Low106 Ų106132.5 Ų132.588%0.87674%0.744SS**  trans-71.985.6173.700000111Q826 S830Q826-A828 PolarHBondContact O-N 2.92Å; A828-S830 PolarHBondContact O-N 3.41Å
829S35.4Very low52.9Low108 Ų108137.9 Ų137.976%0.75576%0.764SS**  trans-64.8120.6174.866.50000110.5Q827Q827-S829 VanDerWaalsContact C-N 3.34Å; Q827-S829 PolarHBondContact O-N 3.45Å
830S47.7Very low51.9Low114 Ų114143 Ų14380%0.79778%0.78SS**  trans-67.8133.3-172.652.50000113.6A828A828-S830 PolarHBondContact O-N 3.41Å
831K41.8Very low50.6Low188 Ų188143.9 Ų143.982%0.81778%0.777SS**  trans-161.4118.5162.6-107.8147.5-171.9173.20112.4
832T36.8Very low49.5Very low123 Ų123143.9 Ų143.976%0.75578%0.777SS**  trans46103.8158.1560000118R834T832-R834 PolarHBondContact O-N 3.22Å
833A41.9Very low48.5Very low109 Ų109141.7 Ų141.790%0.90177%0.772SS**  trans-59.7129.5163.100000111
834R39.2Very low48.7Very low235 Ų235141.9 Ų141.989%0.88777%0.768SS**  trans-109.2138.2160.5-58.1-175.292.8-1796.5106.6T832 A836T832-R834 PolarHBondContact O-N 3.22Å; R834-A836 PolarHBondContact O-N 3.43Å
835K45.2Very low49.1Very low207 Ų207145.1 Ų145.190%0.978%0.782SS**  trans-54.7133.8-173.1-60.3-178.5179.5-175.70110.7
836A40Very low50Low102 Ų102147 Ų14784%0.84378%0.777SS**  trans-59.1139.1170.100000109.6R834R834-A836 PolarHBondContact O-N 3.43Å
837K61.7Low51.5Low201 Ų201144.9 Ų144.987%0.87476%0.763SS**  trans-91.9115.1167.9-70.3-175.1174.7-171.90107.4
838Q60.4Low53Low170 Ų170137.8 Ų137.879%0.79473%0.732SS**  trans-60.5145.8159.9-72171.2-40.400108.6
839F42.1Very low54.9Low209 Ų209137.5 Ų137.592%0.91772%0.721SS**  trans-60.5144.7170.7-79.5-103.3000109.4
840R58.9Low56.9Low200 Ų200137.2 Ų137.276%0.75572%0.719SS**  trans-109.2139.1176.8-87.2-77.6160.8117.8-7.6109.4V842R840-V842 PolarHBondContact O-N 3Å
841D52.7Low58.4Low109 Ų109136.6 Ų136.658%0.58370%0.702SS**  trans-46.8127.6175.3-175.8-24.9000111.1S843 A844D841-S843 PolarHBondContact O-N 3.04Å; D841-S843 VanDerWaalsContact OD1-CB 3.3Å; D841-S843 WeakPolarHBondContact OD1-CB 3.49Å; D841-S843 PolarHBondContact OD1-N 3.49Å; D841-S843 PolarHBondContact OD1-OG 2.86Å; D841-S843 PolarHBondContact OD2-OG 2.88Å; D841-A844 WeakPolarHBondContact O-CB 3.13Å; D841-A844 PolarHBondContact O-N 2.88Å; D841-A844 VanDerWaalsContact O-N 3.16Å
842V61.9Low60.1Low114 Ų114135.8 Ų135.869%0.69170%0.701SS**G310 helixtrans-67.5-24.9-173.6-166.90000111.4R840 A844 L845R840-V842 PolarHBondContact O-N 3Å; V842-A844 PolarHBondContact O-N 2.75Å; V842-L845 HydrophobicContact CG1-CD1 3.78Å; V842-L845 WeakPolarHBondContact O-CG 3.42Å; V842-L845 PolarHBondContact O-N 3.45Å
843S57.6Low61.7Low77 Ų77136.8 Ų136.854%0.53870%0.697SS.*G310 helixtrans-63.7-24.6175.168.30000113.2D841 L845 H846D841-S843 PolarHBondContact O-N 3.04Å; D841-S843 VanDerWaalsContact OD1-CB 3.3Å; D841-S843 WeakPolarHBondContact OD1-CB 3.49Å; D841-S843 PolarHBondContact OD1-N 3.49Å; D841-S843 PolarHBondContact OD1-OG 2.86Å; D841-S843 PolarHBondContact OD2-OG 2.88Å; S843-L845 VanDerWaalsContact C-N 3.27Å; S843-L845 PolarHBondContact O-N 3.49Å; S843-H846 PolarHBondContact O-ND1 3.04Å
844A59.1Low63.3Low64 Ų64132.9 Ų132.953%0.52966%0.66SS.*G310 helixtrans-80.53.2-178.500000114.5D841 V842 H846D841-A844 WeakPolarHBondContact O-CB 3.13Å; D841-A844 PolarHBondContact O-N 2.88Å; D841-A844 VanDerWaalsContact O-N 3.16Å; V842-A844 PolarHBondContact O-N 2.75Å; A844-H846 PolarHBondContact O-N 3.41Å
845L61.7Low64.9Low140 Ų140124.3 Ų124.373%0.73363%0.634SS**G310 helixtrans-75.74.1-178.3-69.3175000115.1V842 S843 Y847V842-L845 HydrophobicContact CG1-CD1 3.78Å; V842-L845 WeakPolarHBondContact O-CG 3.42Å; V842-L845 PolarHBondContact O-N 3.45Å; S843-L845 VanDerWaalsContact C-N 3.27Å; S843-L845 PolarHBondContact O-N 3.49Å; L845-Y847 PolarHBondContact O-N 3.25Å
846H73.9Confident66.3Low156 Ų156118.4 Ų118.472%0.72262%0.624SS**SBendtrans-70.7119.9174.6-69.193.3000111.3S843 A844 D848 H854S843-H846 PolarHBondContact O-ND1 3.04Å; A844-H846 PolarHBondContact O-N 3.41Å; H846-D848 PolarHBondContact O-N 2.96Å; H846-H854 PolarHBondContact O-CE1 2.78Å
847Y80.3Confident67.7Low118 Ų118121.2 Ų121.246%0.46362%0.617SS.*  trans-67117.6-179-172.4-92.1000111.6L845 P849 H854 F857 E858L845-Y847 PolarHBondContact O-N 3.25Å; Y847-P849 HydrophobicContact CD1-CG 4.04Å; Y847-P849 HydrophobicContact CE1-CB 4.35Å; Y847-P849 HydrophobicContact CE1-CG 3.87Å; Y847-H854 HydrophobicContact CD2-CB 4.26Å; Y847-H854 AromaticContact CD2-ND1 3.53Å; Y847-H854 HydrophobicContact CE2-CB 3.86Å; Y847-F857 HydrophobicContact CE2-CB 4.46Å; Y847-E858 WeakPolarHBondContact OH-CG 3.3Å; Y847-E858 PolarHBondContact OH-OE1 3.39Å; Y847-E858 VanDerWaalsContact OH-OE1 3.06Å
848D77.2Confident68.3Low44 Ų44116 Ų11624%0.23560%0.596CS.*  trans-115.7103.3179.9-173.5-15.5000111.1H846 S850 K851 H854H846-D848 PolarHBondContact O-N 2.96Å; D848-S850 VanDerWaalsContact CG-OG 3.31Å; D848-S850 PolarHBondContact O-N 3.16Å; D848-S850 VanDerWaalsContact O-N 3.09Å; D848-S850 VanDerWaalsContact OD1-CB 3.31Å; D848-S850 WeakPolarHBondContact OD1-CB 3.37Å; D848-S850 PolarHBondContact OD1-N 2.79Å; D848-S850 PolarHBondContact OD1-OG 3.44Å; D848-S850 PolarHBondContact OD2-OG 3.34Å; D848-K851 HydrophobicContact CB-CB 4.44Å; D848-K851 HydrophobicContact CB-CD 4.19Å; D848-K851 HydrophobicContact CB-CG 4.11Å; D848-K851 PolarHBondContact O-N 2.7Å; D848-K851 VanDerWaalsContact O-N 3.14Å; D848-K851 IonicContact OD2-NZ 2.77Å; D848-K851 PolarHBondContact OD2-NZ 2.88Å; D848-H854 PolarHBondContact N-ND1 3.44Å
849P77.9Confident68.4Low100 Ų100114.5 Ų114.565%0.64960%0.599SS**THydrogen-bonded Turntrans-63.3-13179-16.727.7000114.6Y847Y847-P849 HydrophobicContact CD1-CG 4.04Å; Y847-P849 HydrophobicContact CE1-CB 4.35Å; Y847-P849 HydrophobicContact CE1-CG 3.87Å
850S76.7Confident69.1Low102 Ų102111.9 Ų111.971%0.71359%0.587SS**THydrogen-bonded Turntrans-84.2-13177.475.10000113.5D848D848-S850 VanDerWaalsContact CG-OG 3.31Å; D848-S850 PolarHBondContact O-N 3.16Å; D848-S850 VanDerWaalsContact O-N 3.09Å; D848-S850 VanDerWaalsContact OD1-CB 3.31Å; D848-S850 WeakPolarHBondContact OD1-CB 3.37Å; D848-S850 PolarHBondContact OD1-N 2.79Å; D848-S850 PolarHBondContact OD1-OG 3.44Å; D848-S850 PolarHBondContact OD2-OG 3.34Å
851K80.1Confident68.8Low101 Ų101109.4 Ų109.444%0.43959%0.594SS.*SBendtrans-95.9124.7179.2-69-171.4-17586.40111.3D848 E853 H854D848-K851 HydrophobicContact CB-CB 4.44Å; D848-K851 HydrophobicContact CB-CD 4.19Å; D848-K851 HydrophobicContact CB-CG 4.11Å; D848-K851 PolarHBondContact O-N 2.7Å; D848-K851 VanDerWaalsContact O-N 3.14Å; D848-K851 IonicContact OD2-NZ 2.77Å; D848-K851 PolarHBondContact OD2-NZ 2.88Å; K851-E853 PolarHBondContact O-N 3.34Å; K851-E853 VanDerWaalsContact O-N 3.12Å; K851-H854 PolarHBondContact O-N 2.82Å
852E75.8Confident68.2Low171 Ų171112.4 Ų112.480%0.79961%0.605SS**G310 helixtrans-54.7-33.3178-170.6173.3-173.500113H854 T855E852-H854 PolarHBondContact O-N 2.66Å; E852-T855 WeakPolarHBondContact O-CB 3.42Å; E852-T855 WeakPolarHBondContact O-CG2 3.35Å; E852-T855 PolarHBondContact O-N 2.92Å; E852-T855 VanDerWaalsContact O-N 3.15Å; E852-T855 PolarHBondContact O-OG1 3.47Å
853E70.8Confident67.5Low144 Ų144115.6 Ų115.667%0.67361%0.612SS**G310 helixtrans-59.6-29.6177.2-59.5-167.5152.200113.7K851K851-E853 PolarHBondContact O-N 3.34Å; K851-E853 VanDerWaalsContact O-N 3.12Å
854H75.4Confident66.4Low27 Ų27118.7 Ų118.713%0.12563%0.628CS.*G310 helixtrans-78.1-20-179.9-73.7-102.3000113H846 Y847 D848 K851 E852 A856 F857H846-H854 PolarHBondContact O-CE1 2.78Å; Y847-H854 HydrophobicContact CD2-CB 4.26Å; Y847-H854 AromaticContact CD2-ND1 3.53Å; Y847-H854 HydrophobicContact CE2-CB 3.86Å; D848-H854 PolarHBondContact N-ND1 3.44Å; K851-H854 PolarHBondContact O-N 2.82Å; E852-H854 PolarHBondContact O-N 2.66Å; H854-A856 PolarHBondContact O-N 3.33Å; H854-F857 PolarHBondContact O-N 2.86Å
855T73.5Confident65.4Low54 Ų54125.5 Ų125.533%0.33165%0.646SS.*G310 helixtrans-64.8-10.8176.273.40000113.7E852 F857E852-T855 WeakPolarHBondContact O-CB 3.42Å; E852-T855 WeakPolarHBondContact O-CG2 3.35Å; E852-T855 PolarHBondContact O-N 2.92Å; E852-T855 VanDerWaalsContact O-N 3.15Å; E852-T855 PolarHBondContact O-OG1 3.47Å; T855-F857 VanDerWaalsContact C-N 3.32Å
856A74.4Confident64.7Low84 Ų84128.9 Ų128.969%0.69465%0.654SS**G310 helixtrans-76.8-15171.900000113.6H854H854-A856 PolarHBondContact O-N 3.33Å
857F70.1Confident63.1Low160 Ų160130.7 Ų130.770%0.70266%0.663SS**SBendtrans-98.5-6.5175.2-58.6-79000112.9Y847 H854 T855 T859Y847-F857 HydrophobicContact CE2-CB 4.46Å; H854-F857 PolarHBondContact O-N 2.86Å; T855-F857 VanDerWaalsContact C-N 3.32Å; F857-T859 PolarHBondContact O-N 2.77Å
858E72.8Confident62Low92 Ų92129.4 Ų129.443%0.4367%0.672SS.*SBendtrans-78116.3172.2-62-176.4155.300110.2Y847 K860Y847-E858 WeakPolarHBondContact OH-CG 3.3Å; Y847-E858 PolarHBondContact OH-OE1 3.39Å; Y847-E858 VanDerWaalsContact OH-OE1 3.06Å; E858-K860 PolarHBondContact O-N 3.11Å
859T63.1Low60.9Low139 Ų139132.7 Ų132.785%0.85368%0.684SS**  trans-72.693.1-174.554.30000112.1F857F857-T859 PolarHBondContact O-N 2.77Å
860K57Low59.8Low154 Ų154131.7 Ų131.767%0.6768%0.684SS**  trans-76.6119.2169.9-69.9164.8-175.9155.60110E858 E862E858-K860 PolarHBondContact O-N 3.11Å; K860-E862 PolarHBondContact O-N 3.4Å
861T53.2Low58.8Low147 Ų147130.3 Ų130.390%0.90268%0.679SS**  trans-77.796.9178.6-6.10000110.5
862E40.3Very low57.8Low173 Ų173134 Ų13481%0.80869%0.69SS**  trans-137.9149176.5-89.9-70.5165.100110.3K860K860-E862 PolarHBondContact O-N 3.4Å
863E46.7Very low57.2Low180 Ų180133.4 Ų133.484%0.84168%0.681SS**PPolyproline II helixtrans-91.9146.9-162.1-59.7-176.3153.900114.1
864T34.5Very low56.9Low143 Ų143133.8 Ų133.888%0.87768%0.68SS**PPolyproline II helixtrans-95.6134.3-176.852.80000113.2
865K38.8Very low56.2Low207 Ų207140.6 Ų140.690%0.971%0.709SS**PPolyproline II helixtrans-94.6148.3-178.6-71.1173.9179.31680112.1
866K45.3Very low55.4Low210 Ų210145.8 Ų145.891%0.91372%0.723SS**PPolyproline II helixtrans-77.8139.8-175.4-59.9170.4-177.1171.30112.2
867E41.5Very low54.7Low194 Ų194148.3 Ų148.391%0.90772%0.72SS**PPolyproline II helixtrans-84.8163.9163.5-67.2-164.1142.800111.8
868S56.7Low54Low92 Ų92147.5 Ų147.564%0.64372%0.719SS**  trans-106.4152.6-162.765.70000116A870 A871S868-A870 PolarHBondContact O-N 2.9Å; S868-A871 PolarHBondContact O-N 2.79Å
869K54.6Low53.1Low112 Ų112147.1 Ų147.149%0.48773%0.731SS.*THydrogen-bonded Turntrans-47.1-31.8-175.3-86.7-177.6165.2-174.50115.2A871 R872 E922 E924K869-A871 VanDerWaalsContact C-N 3.3Å; K869-A871 PolarHBondContact O-N 2.81Å; K869-R872 WeakPolarHBondContact O-CB 3.32Å; K869-R872 PolarHBondContact O-N 2.83Å; K869-R872 VanDerWaalsContact O-N 3.11Å; K869-E922 WeakPolarHBondContact CE-OE2 3.49Å; K869-E922 IonicContact NZ-OE2 2.72Å; K869-E922 PolarHBondContact NZ-OE2 2.81Å; K869-E924 IonicContact NZ-OE1 2.66Å; K869-E924 PolarHBondContact NZ-OE1 3.09Å
870A54.9Low52.8Low80 Ų80147.5 Ų147.566%0.66172%0.723SS**Hα-helixtrans-60.6-33.1-173.700000114.2S868 R872S868-A870 PolarHBondContact O-N 2.9Å; A870-R872 VanDerWaalsContact C-N 3.26Å; A870-R872 PolarHBondContact O-N 2.83Å
871A56.1Low52.9Low73 Ų73149.1 Ų149.160%0.60373%0.73SS**Hα-helixtrans-67.9-25.1178.700000113.2S868 K869S868-A871 PolarHBondContact O-N 2.79Å; K869-A871 VanDerWaalsContact C-N 3.3Å; K869-A871 PolarHBondContact O-N 2.81Å
872R59Low53Low178 Ų178149.8 Ų149.867%0.67273%0.727SS**Hα-helixtrans-80.7-37.7-174-171.2175171.2-138.3-0.7113K869 A870 E922K869-R872 WeakPolarHBondContact O-CB 3.32Å; K869-R872 PolarHBondContact O-N 2.83Å; K869-R872 VanDerWaalsContact O-N 3.11Å; A870-R872 VanDerWaalsContact C-N 3.26Å; A870-R872 PolarHBondContact O-N 2.83Å; R872-E922 IonicContact NH1-OE1 3.71Å; R872-E922 PolarHBondContact NH1-OE1 3.48Å
873R62.9Low53.3Low159 Ų159147.1 Ų147.160%0.673%0.725SS**Hα-helixtrans-67.4-46.4179.6-92.8-170.8174.4-177-0.1112.8K875 R876 E877 E921R873-K875 PolarHBondContact O-N 2.83Å; R873-R876 WeakPolarHBondContact O-CB 3.14Å; R873-R876 PolarHBondContact O-N 3.26Å; R873-E877 PolarHBondContact O-N 3.39Å; R873-E921 IonicContact CZ-OE1 2.7Å; R873-E921 IonicContact CZ-OE2 3.24Å; R873-E921 IonicContact NE-OE1 3.19Å; R873-E921 IonicContact NH2-OE1 3.18Å; R873-E921 PolarHBondContact NH2-OE1 3.42Å; R873-E921 IonicContact NH2-OE2 2.7Å; R873-E921 PolarHBondContact NH2-OE2 2.91Å
874K64.9Low53.2Low152 Ų152146.3 Ų146.366%0.66172%0.721SS**Hα-helixtrans-57.8-35.1-178.7-173.6168.8-178.5172.80112.9R876 E878K874-R876 VanDerWaalsContact C-N 3.26Å; K874-R876 PolarHBondContact O-N 3.13Å; K874-E878 PolarHBondContact O-N 3.3Å
875K60Low54.3Low170 Ų170145 Ų14574%0.73971%0.713SS**Hα-helixtrans-74-10177.6-136.4-178.4-176.4-173.40114.1R873R873-K875 PolarHBondContact O-N 2.83Å
876R57.3Low55Low162 Ų162139.9 Ų139.961%0.61170%0.703SS**Hα-helixtrans-92.7-38.5175.7-168.3177.5-179.7-172.4-1.7112.1R873 K874R873-R876 WeakPolarHBondContact O-CB 3.14Å; R873-R876 PolarHBondContact O-N 3.26Å; K874-R876 VanDerWaalsContact C-N 3.26Å; K874-R876 PolarHBondContact O-N 3.13Å
877E58.4Low55.8Low138 Ų138136.4 Ų136.465%0.64569%0.688SS**Hα-helixtrans-68.8-40.1176.3-67.2179.4106.600112.7R873 A879 Q880R873-E877 PolarHBondContact O-N 3.39Å; E877-A879 PolarHBondContact O-N 3.38Å; E877-Q880 PolarHBondContact O-N 2.91Å; E877-Q880 VanDerWaalsContact O-N 3.13Å
878E55.6Low56.6Low143 Ų143135.3 Ų135.367%0.66868%0.683SS**G310 helixtrans-62.1-29179.1-167.2163.4-157.900112K874 Q880K874-E878 PolarHBondContact O-N 3.3Å; E878-Q880 PolarHBondContact O-N 3.4Å
879A54.5Low56.4Low84 Ų84138.3 Ų138.369%0.69469%0.69SS**G310 helixtrans-82-2.9177.900000114.9E877E877-A879 PolarHBondContact O-N 3.38Å
880Q56Low56.1Low146 Ų146142 Ų14268%0.68270%0.702SS**G310 helixtrans-102.72.5-178.2-73.5-172.9-17.300114.6E877 E878E877-Q880 PolarHBondContact O-N 2.91Å; E877-Q880 VanDerWaalsContact O-N 3.13Å; E878-Q880 PolarHBondContact O-N 3.4Å
881K60.7Low55.7Low189 Ų189146.9 Ų146.982%0.82271%0.709SS**  trans-101103176.1-71.1-175177.6178.50111.6
882L54.8Low55.2Low160 Ų160152.1 Ų152.184%0.83872%0.721SS**PPolyproline II helixtrans-77.6153.8171.6-65.3176.5000111.4
883P45.8Very low54.6Low117 Ų117149.8 Ų149.876%0.7673%0.726SS**PPolyproline II helixtrans-68.2144.7-178.627.7-35.4000112.8
884E44.1Very low53.9Low164 Ų164147.7 Ų147.777%0.76674%0.736SS**PPolyproline II helixtrans-80.9124.1177.9-173.1170-160.800111.3K887E884-K887 IonicContact OE1-NZ 3.5Å; E884-K887 PolarHBondContact OE1-NZ 3.25Å
885V58.3Low52.8Low116 Ų116142.7 Ų142.770%0.70373%0.728SS**PPolyproline II helixtrans-92.1140.2177-175.90000109.9
886S52.9Low52.6Low99 Ų99140.8 Ų140.869%0.69273%0.725SS**PPolyproline II helixtrans-63.7142.9-179.844.70000112.3E888S886-E888 PolarHBondContact O-N 2.91Å
887K63Low52.6Low136 Ų136139.1 Ų139.159%0.59173%0.728SS**  trans-9618.1-167.6-56.3-176-178.676.60113.9E884 Y890E884-K887 IonicContact OE1-NZ 3.5Å; E884-K887 PolarHBondContact OE1-NZ 3.25Å; K887-Y890 HydrophobicContact CB-CE2 4.4Å
888E59.1Low52.6Low171 Ų171141 Ų14180%0.79973%0.734SS**  trans-105.1142.1-176.6-64.5-172.2128.100111.1S886S886-E888 PolarHBondContact O-N 2.91Å
889I52.4Low52.7Low155 Ų155137.7 Ų137.780%0.79573%0.732SS**  trans68.664.4-174.8-38.6177.3000114.3F891I889-F891 HydrophobicContact CG2-CE2 4.38Å
890Y46.6Very low52.9Low190 Ų190138.9 Ų138.975%0.74573%0.73SS**  trans-89.1130.7158.2-74-83.5000111K887K887-Y890 HydrophobicContact CB-CE2 4.4Å
891F47.1Very low52.7Low183 Ų183140.8 Ų140.880%0.80374%0.736SS**  trans-91.7121.5161-85.2-86.2000109.9I889 V893I889-F891 HydrophobicContact CG2-CE2 4.38Å; F891-V893 PolarHBondContact O-N 2.87Å; F891-V893 VanDerWaalsContact O-N 3.08Å
892Q45.7Very low52.1Low182 Ų182134 Ų13485%0.8572%0.719SS**  trans-79.690.2-179.9-171.6175.517.800111S894Q892-S894 VanDerWaalsContact C-N 3.28Å; Q892-S894 PolarHBondContact O-N 3.21Å
893V45.8Very low51.3Low130 Ų130135 Ų13579%0.78872%0.72SS**  trans-77.679.7173-173.70000109.8F891 G895F891-V893 PolarHBondContact O-N 2.87Å; F891-V893 VanDerWaalsContact O-N 3.08Å; V893-G895 VanDerWaalsContact C-N 3.3Å; V893-G895 PolarHBondContact O-N 3.46Å
894S48.3Very low50.8Low115 Ų115135.1 Ų135.180%0.80472%0.719SS**  trans-74.981.5167.561.70000110Q892Q892-S894 VanDerWaalsContact C-N 3.28Å; Q892-S894 PolarHBondContact O-N 3.21Å
895G43Very low50.5Low47 Ų47135.5 Ų135.549%0.48573%0.726SS.*  trans-138.9118.7173.400000109.9V893 L897V893-G895 VanDerWaalsContact C-N 3.3Å; V893-G895 PolarHBondContact O-N 3.46Å; G895-L897 VanDerWaalsContact C-N 3.33Å; G895-L897 PolarHBondContact O-N 3.46Å
896D55.3Low49.3Very low129 Ų129137.7 Ų137.769%0.6973%0.734SS**  trans-79.579.7-171.1-167.8-0.2000112.1K898 A899D896-K898 PolarHBondContact O-N 2.92Å; D896-K898 VanDerWaalsContact O-N 3.07Å; D896-K898 WeakPolarHBondContact OD1-CB 3.43Å; D896-K898 PolarHBondContact OD1-N 3.3Å; D896-A899 PolarHBondContact O-N 3.48Å
897L56.7Low48.2Very low127 Ų127136.4 Ų136.467%0.66574%0.736SS**G310 helixtrans-62.6-10.2177.5-71.5168.1000113.4G895 A899 V900G895-L897 VanDerWaalsContact C-N 3.33Å; G895-L897 PolarHBondContact O-N 3.46Å; L897-A899 PolarHBondContact O-N 2.94Å; L897-V900 PolarHBondContact O-N 3.49Å
898K58.7Low46.6Very low177 Ų177135.4 Ų135.477%0.7775%0.747SS**G310 helixtrans-69.1-22.1178.6-156.3164.8-175.2172.70112.5D896 V900D896-K898 PolarHBondContact O-N 2.92Å; D896-K898 VanDerWaalsContact O-N 3.07Å; D896-K898 WeakPolarHBondContact OD1-CB 3.43Å; D896-K898 PolarHBondContact OD1-N 3.3Å; K898-V900 VanDerWaalsContact C-N 3.3Å; K898-V900 PolarHBondContact O-N 2.85Å
899A57.4Low45.3Very low75 Ų75131.6 Ų131.662%0.6274%0.744SS**G310 helixtrans-69.3-22.4174.400000114D896 L897D896-A899 PolarHBondContact O-N 3.48Å; L897-A899 PolarHBondContact O-N 2.94Å
900V59.1Low44.4Very low108 Ų108133.5 Ų133.566%0.65575%0.75SS**G310 helixtrans-81.7-21.3-175.2-177.70000112.7L897 K898L897-V900 PolarHBondContact O-N 3.49Å; K898-V900 VanDerWaalsContact C-N 3.3Å; K898-V900 PolarHBondContact O-N 2.85Å
901F53.1Low43.6Very low186 Ų186128.1 Ų128.182%0.81675%0.752SS**G310 helixtrans-113.118.9-179.3-63.2-83.1000112.7
902G46.5Very low42.8Very low46 Ų46128.3 Ų128.347%0.47476%0.756SS.*  trans-118.231.3-163.900000116.6
903Q38.8Very low42.1Very low182 Ų182129 Ų12985%0.8576%0.759SS**  trans-166.2132.1168-99.4137.693.600106.2
904T34.8Very low41.3Very low120 Ų120125.8 Ų125.874%0.73675%0.753SS**  cis-133.1143.424.148.40000113
905N38.3Very low40.6Very low171 Ų171126 Ų12691%0.91475%0.749SS**  trans-158.5106.6160.8-108.3-11.9000109.3
906D32.2Very low39.8Very low162 Ų162131 Ų13187%0.86677%0.765SS**  trans-10299.3169.752.7-49.7000109.7
907G30Very low38.5Very low72 Ų72135.1 Ų135.174%0.74277%0.771SS**  trans-1638.3-165.600000119.8
908S29.1Very low37.1Very low116 Ų116135.6 Ų135.681%0.81177%0.774SS**  trans49.9100.8159.7-178.50000120.7
909A32.5Very low35.5Very low91 Ų91135.2 Ų135.275%0.75278%0.775SS**  trans65.4158.1138.800000118.6
910E32.6Very low34.1Very low194 Ų194137.4 Ų137.491%0.90778%0.78SS**  cis-134.3-175.7-3.7-68.7-177.915600108.6
911G29.6Very low32.5Very low78 Ų78137.6 Ų137.680%0.80477%0.774SS**  trans119.9126.3156.100000116.1
912E31.3Very low31.4Very low186 Ų186133.9 Ų133.987%0.86976%0.759SS**  trans-90.4175.5-173.7-64.5168.2138.500113.3
913E31.2Very low30.6Very low196 Ų196140.9 Ų140.992%0.91678%0.779SS**  trans12.6136.1154.4-57.6180175.400119.5
914G28.1Very low29.9Very low64 Ų64139.7 Ų139.766%0.6677%0.774SS**  cis160.1-1362000000110.3
915T33.5Very low29.4Very low120 Ų120137.7 Ų137.774%0.73678%0.777SS**  trans56.697.8174.9510000118.5
916N27.4Very low28.8Very low150 Ų150133.3 Ų133.380%0.80277%0.772SS**  trans-43.2147149.3-179.933.1000113.5
917W26.8Very low28.4Very low217 Ų217128.6 Ų128.682%0.82276%0.762SS**  trans-142.2100.7171.4-79.197.7000112.3
918D27.6Very low28.2Very low137 Ų137134 Ų13473%0.73377%0.768SS**  trans-146.889.7156.9176.333000107.6
919E25.3Very low28Very low169 Ų169136.9 Ų136.979%0.7977%0.769SS**  trans-161163.3168.5-133.2-179.3153.600114.4
920V28.7Very low27.6Very low120 Ų120139.3 Ų139.373%0.72776%0.764SS**  trans63.1102.9174.1-132.10000115
921E26Very low27.2Very low113 Ų113136.9 Ų136.953%0.52875%0.753SS.*  56.6109.667.9-62.3-149.5150.500113.1R873R873-E921 IonicContact CZ-OE1 2.7Å; R873-E921 IonicContact CZ-OE2 3.24Å; R873-E921 IonicContact NE-OE1 3.19Å; R873-E921 IonicContact NH2-OE1 3.18Å; R873-E921 PolarHBondContact NH2-OE1 3.42Å; R873-E921 IonicContact NH2-OE2 2.7Å; R873-E921 PolarHBondContact NH2-OE2 2.91Å
922E28.6Very low26.8Very low108 Ų108140.4 Ų140.451%0.50575%0.753SS.*  698585.3-79.3-155.3-159.400115.2K869 R872K869-E922 WeakPolarHBondContact CE-OE2 3.49Å; K869-E922 IonicContact NZ-OE2 2.72Å; K869-E922 PolarHBondContact NZ-OE2 2.81Å; R872-E922 IonicContact NH1-OE1 3.71Å; R872-E922 PolarHBondContact NH1-OE1 3.48Å
923E29.3Very low26.9Very low192 Ų192139.1 Ų139.190%0.89775%0.751SS**  trans-122.4133.9134.1-66.5-167151.900106
924E25.3Very low27Very low157 Ų157135.7 Ų135.773%0.73475%0.746SS**  cis91.2138.526.2-157.9163.2-76.700114.4K869K869-E924 IonicContact NZ-OE1 2.66Å; K869-E924 PolarHBondContact NZ-OE1 3.09Å
925G24.4Very low26.9Very low78 Ų78137.1 Ų137.180%0.80475%0.745SS**  trans80.6153.3-163.300000112.8
926G24.6Very low26.7Very low79 Ų79138.5 Ų138.581%0.81475%0.748SS**  cis-167.7154.5-6.200000108.5
927G24.3Very low26.7Very low63 Ų63138.7 Ų138.765%0.64975%0.748SS**  trans-94.6172.9-175.700000114.6
928E26.2Very low26.8Very low187 Ų187133.6 Ų133.687%0.87475%0.745SS**  trans81.5142.8143.3-71.2143.1-119.200121.2
929E25.4Very low26.9Very low176 Ų176131.8 Ų131.882%0.82275%0.749SS**  trans75.5119.1154.8-71.9-177.1177.500123.2
930E24.3Very low27Very low141 Ų141131.1 Ų131.166%0.65975%0.751SS**  72.796.4125.9-60.4-85.995.900120.1
931Q23.2Very low27.2Very low143 Ų143131 Ų13167%0.66875%0.753SS**  57.2126.2110.4-69.8-164.173.500121.4
932L22.2Very low27.4Very low152 Ų152130.7 Ų130.780%0.79676%0.763SS**  trans86.6104.6144.6-63.4164.2000120.6
933L31.9Very low27.7Very low160 Ų160130.8 Ų130.884%0.83878%0.776SS**  trans-36.7149.3152-53.5167.4000114.1
934P34.7Very low27.6Very low124 Ų124131.1 Ų131.181%0.80577%0.774SS**  -132.7143.891.120.6-2.1000112.8
935S24.8Very low27.8Very low93 Ų93128.9 Ų128.965%0.6578%0.776SS**  cis95.4140.239.5-168.50000114.2
936L29.2Very low28.6Very low150 Ų150133.9 Ų133.979%0.78578%0.778SS**  trans81.4123.5178-47.8-178.2000116
937L29.1Very low28.8Very low154 Ų154139.3 Ų139.381%0.80678%0.782SS**  cis-149.813147.9-83.3167.8000116.6
938S28.6Very low29.7Very low109 Ų109141.8 Ų141.876%0.76279%0.79SS**  trans68.2143.5140.662.40000124.2
939A28.9Very low29.9Very low99 Ų99138.3 Ų138.382%0.81879%0.786SS**  trans90.877.5155.300000120.5
940D27Very low30.6Very low156 Ų156133.7 Ų133.783%0.83479%0.786SS**  8.1161.1126.7-98.1-23.5000122.5
941P33.1Very low31Very low116 Ų116134.9 Ų134.975%0.75379%0.789SS**  cis-130.8166.91.933.8-14.3000117.7
942S30Very low31.9Very low107 Ų107137.3 Ų137.375%0.74879%0.792SS**SBendtrans77.473.6161.5-149.90000118.5
943S34.3Very low32.7Very low110 Ų110139.5 Ų139.577%0.76980%0.796SS**  trans55.985.2147.662.80000119.5
944K28.6Very low32.9Very low200 Ų200134.4 Ų134.487%0.8777%0.774SS**  trans-79.2174.1135.5-58.6179.9178.7178.20108.6
945S29.1Very low33.2Very low109 Ų109136.4 Ų136.476%0.76277%0.77SS**  cis-157-177.90.511.70000108.7
946E40.7Very low33.8Very low183 Ų183140.1 Ų140.186%0.85578%0.775SS**  trans-51.7143.6161.1-54.1165.5131.500112.2
947E28.8Very low34Very low193 Ų193137 Ų13790%0.90278%0.778SS**  trans-164.4170.6132.4-122.3172.5-160.700112.5
948S43.2Very low34.1Very low115 Ų115137.8 Ų137.880%0.80478%0.784SS**  trans-70.8141.2-167.656.10000115.6
949S30.3Very low34.4Very low114 Ų114140.2 Ų140.280%0.79778%0.783SS**  trans-147.8131.3144.6-172.80000110.7F951S949-F951 PolarHBondContact O-N 3.18Å
950G40Very low34.8Very low80 Ų80141.4 Ų141.483%0.82579%0.785SS**  trans-79.295.6178.400000111.6
951F33Very low35.1Very low166 Ų166138 Ų13873%0.72878%0.779SS**  trans-114.498.8165.9-147.5-113.4000108.5S949 S954S949-F951 PolarHBondContact O-N 3.18Å; F951-S954 WeakPolarHBondContact CE1-OG 3.35Å
952R43.4Very low35.3Very low193 Ų193137.8 Ų137.873%0.72879%0.787SS**  71.9104.184.5-176.794.1168.4178.9-1110.1S954R952-S954 VanDerWaalsContact CG-OG 3.26Å; R952-S954 WeakPolarHBondContact CG-OG 3.48Å; R952-S954 PolarHBondContact O-N 2.95Å
953F37.7Very low35.4Very low198 Ų198135.8 Ų135.887%0.86878%0.783SS**  trans-64.988.9162.3-179.3-99.9000108.4
954S37.2Very low35.3Very low54 Ų54137 Ų13738%0.37879%0.792SS.*  trans-86.2111.6177.4-72.60000109F951 R952 F956F951-S954 WeakPolarHBondContact CE1-OG 3.35Å; R952-S954 VanDerWaalsContact CG-OG 3.26Å; R952-S954 WeakPolarHBondContact CG-OG 3.48Å; R952-S954 PolarHBondContact O-N 2.95Å; S954-F956 PolarHBondContact O-N 2.94Å
955F39.4Very low35.5Very low166 Ų166131 Ų13173%0.72879%0.787SS**SBendtrans-665.7-179.7177.8-111.3000114.5
956F38Very low35.9Very low171 Ų171134.6 Ų134.675%0.7579%0.791SS**  trans-131.8118.6173.3-69.4-86.1000108.7S954S954-F956 PolarHBondContact O-N 2.94Å
957G33.6Very low35.8Very low83 Ų83132 Ų13286%0.85679%0.789SS**PPolyproline II helixtrans-82.3131.7160.400000108.6
958D31.3Very low36.1Very low172 Ų172127 Ų12792%0.9278%0.78SS**PPolyproline II helixtrans-95.5153.7178.2-156.90.1000111.1
959E34.7Very low35.7Very low159 Ų159130 Ų13074%0.74378%0.781SS**PPolyproline II helixtrans-99.6151.1-162.5-164.3-168.9119.200112.9
960S37.3Very low35.7Very low125 Ų125134.7 Ų134.787%0.87478%0.783SS**  trans-154.565.3168.1-78.10000114.4
961A33.6Very low35.8Very low84 Ų84140.7 Ų140.769%0.69479%0.786SS**  trans29.7110.8140.800000121.6
962A37Very low36Very low111 Ų111139.4 Ų139.492%0.91779%0.792SS**  -172.4121.6124.300000110.7
963G31.5Very low35.8Very low66 Ų66139 Ų13968%0.6880%0.798SS**  cis175174.6-8.200000112.2
964S33.4Very low35.8Very low136 Ų136139 Ų13995%0.95180%0.798SS**  trans70.9137.9176.375.90000118.9
965G33.4Very low36Very low74 Ų74144.2 Ų144.276%0.76382%0.82SS**  trans129.995.415700000117.8
966E36.8Very low35.9Very low183 Ų183144.9 Ų144.986%0.85583%0.826SS**  trans17.8108.9153.9-74.4168117.300122.5
967T37.3Very low35.7Very low130 Ų130140.8 Ų140.880%0.79882%0.823SS**  40.7119.2125.659.50000121.5
968A35.7Very low35.8Very low87 Ų87142.8 Ų142.872%0.71982%0.821SS**  147.4138.3103.600000114.6
969E36.2Very low36Very low179 Ų179144.5 Ų144.584%0.83682%0.82SS**  trans65.9145.4153.6-71.1170.9-148.700121.1
970Y29.8Very low36.1Very low212 Ų212142.6 Ų142.683%0.83182%0.819SS**  trans-107.4138.9-167.638.9-91.9000109.9
971K42.3Very low36.3Very low206 Ų206142.2 Ų142.290%0.89682%0.816SS**  trans-141.9114.3169.8-147.1168.4-173.1175.70110.1E973K971-E973 PolarHBondContact O-N 2.66Å
972T36.1Very low36.3Very low138 Ų138148 Ų14885%0.84782%0.821SS**  trans-79.6115-178.432.60000110.8
973E39.8Very low36.1Very low184 Ų184151 Ų15186%0.8682%0.815SS**  trans-70.3138.4168.3-64.1-172.6133.600110.7K971K971-E973 PolarHBondContact O-N 2.66Å
974K38.4Very low36.3Very low199 Ų199157.2 Ų157.287%0.86583%0.826SS**  trans-99106165.3-70.3-178.8180178.30107.7Q976K974-Q976 PolarHBondContact O-N 2.97Å; K974-Q976 VanDerWaalsContact O-N 3.15Å
975I41Very low36.8Very low164 Ų164155.1 Ų155.184%0.84181%0.805SS**PPolyproline II helixtrans-62.1116.2172.8-60.5173.3000107.9
976Q37.2Very low37.4Very low180 Ų180157.8 Ų157.884%0.84181%0.808SS**PPolyproline II helixtrans-72.6136.4168.8-71.4-173.2-7.500109.4K974K974-Q976 PolarHBondContact O-N 2.97Å; K974-Q976 VanDerWaalsContact O-N 3.15Å
977A32.9Very low37.9Very low84 Ų84158 Ų15869%0.69480%0.802SS**PPolyproline II helixtrans-70.6142171.800000110.2K979A977-K979 PolarHBondContact O-N 3.08Å; A977-K979 VanDerWaalsContact O-N 3.14Å
978P35.8Very low37.6Very low126 Ų126160.9 Ų160.982%0.81880%0.803SS**  trans-68.5112.5-179.527.8-34000110.6
979K35.6Very low37.6Very low207 Ų207166.1 Ų166.190%0.981%0.813SS**  trans-81.1119.2166.6-75.7-169.4171.8-1690109.3A977A977-K979 PolarHBondContact O-N 3.08Å; A977-K979 VanDerWaalsContact O-N 3.14Å
980V37.7Very low37.7Very low120 Ų120164.3 Ų164.373%0.72781%0.808SS**  trans-84.6122.5165.4178.30000107.5
981S41.5Very low37.8Very low116 Ų116159.5 Ų159.581%0.81181%0.806SS**  trans-104.9114169.251.10000110.1
982W32.3Very low37.5Very low206 Ų206155.4 Ų155.478%0.7880%0.803SS**  trans-84.4164.5159.6-77.785.6000109.8
983H34.4Very low37.2Very low173 Ų173154 Ų15480%0.80180%0.799SS**  trans68.1101.8170.4-50.7124.4000118.3
984Q34Very low36.6Very low197 Ų197154.1 Ų154.192%0.92180%0.8SS**  trans-143125.6137.7-108.6-1789.300109
985D45.3Very low36.1Very low93 Ų93151.9 Ų151.950%0.49780%0.797SS.*  trans-96124.1176.3-171.2-31.6000109R987D985-R987 PolarHBondContact O-N 2.88Å; D985-R987 WeakPolarHBondContact OD1-CG 3.35Å; D985-R987 IonicContact OD1-CZ 2.73Å; D985-R987 IonicContact OD1-NE 3.48Å; D985-R987 PolarHBondContact OD1-NE 3.3Å; D985-R987 IonicContact OD1-NH2 2.69Å; D985-R987 IonicContact OD2-CZ 3.42Å; D985-R987 IonicContact OD2-NE 3.36Å; D985-R987 PolarHBondContact OD2-NE 2.8Å; D985-R987 IonicContact OD2-NH2 3.34Å; D985-R987 PolarHBondContact OD2-NH2 3.23Å
986P45.6Very low35.6Very low129 Ų129153.6 Ų153.684%0.83880%0.802SS**THydrogen-bonded Turntrans-68.123-173.4-22.534.6000117.3
987R47.7Very low35.3Very low189 Ų189152.6 Ų152.671%0.71380%0.801SS**THydrogen-bonded Turntrans-109.8-1.8-165-72.4-173.8-73167.1-1.8116.6D985D985-R987 PolarHBondContact O-N 2.88Å; D985-R987 WeakPolarHBondContact OD1-CG 3.35Å; D985-R987 IonicContact OD1-CZ 2.73Å; D985-R987 IonicContact OD1-NE 3.48Å; D985-R987 PolarHBondContact OD1-NE 3.3Å; D985-R987 IonicContact OD1-NH2 2.69Å; D985-R987 IonicContact OD2-CZ 3.42Å; D985-R987 IonicContact OD2-NE 3.36Å; D985-R987 PolarHBondContact OD2-NE 2.8Å; D985-R987 IonicContact OD2-NH2 3.34Å; D985-R987 PolarHBondContact OD2-NH2 3.23Å
988F31Very low35.1Very low189 Ų189158 Ų15883%0.82981%0.812SS**  trans-129.2104.1173.1-73-82.9000111.7
989H35.6Very low34.6Very low198 Ų198160.2 Ų160.292%0.91781%0.812SS**  trans-11387.3152.8-89.8-62.7000108
990D37.1Very low34.1Very low140 Ų140158.3 Ų158.375%0.74981%0.811SS**  trans-81.7130.3154.617721000108.2
991S32.2Very low33.7Very low111 Ų111161.3 Ų161.378%0.77682%0.817SS**  trans-176.9113151.1-80.10000109
992S36.4Very low33Very low120 Ų120164.9 Ų164.984%0.83982%0.821SS**  trans-93.3129.8152.4-173.10000107.6
993S29Very low32.8Very low110 Ų110163.1 Ų163.177%0.76982%0.822SS**  trans-132.9125.7172.458.70000109.4
994E29Very low32.4Very low185 Ų185162.1 Ų162.186%0.86482%0.817SS**  trans-79.7173.4-179.1-147.6154.8106.300111.1
995D27.8Very low32.2Very low153 Ų153159 Ų15982%0.81880%0.803SS**  trans-60.6147.1-177.7-56.5-104.9000113.7
996E29.8Very low31.3Very low199 Ų199161.5 Ų161.593%0.9381%0.811SS**  -150.5159.5126.7-128.6168.4-156.200112.6
997L30.8Very low30.6Very low160 Ų160160 Ų16084%0.83880%0.8SS**  trans-86.6154.5-166.1-60.4145000112
998E27.8Very low29.7Very low197 Ų197160 Ų16092%0.92181%0.805SS**  -159160.9128.3-118.6171.3-159.400111.7
999E26.4Very low29.5Very low173 Ų173159.2 Ų159.281%0.80880%0.801SS**  trans-106.4147.2-169.5-59.5173.8124.300111
1000D25.7Very low29.1Very low166 Ų166155.7 Ų155.789%0.88879%0.785SS**  174.2154.9113.9-100.3-30.2000113.1
1001E27.6Very low28.6Very low184 Ų184155.5 Ų155.586%0.8678%0.78SS**  trans-110.8143.6178.8-58.8-174.9140.300111.6
1002E27.1Very low28.4Very low190 Ų190158.3 Ų158.389%0.88878%0.781SS**  trans-128.8100.5149.7-79.1-165.9167.400109.4
1003E28.3Very low27.9Very low169 Ų169157 Ų15779%0.7977%0.772SS**  45.4144122.2-64.6-169.8158.300120.5
1004E27.2Very low27.8Very low152 Ų152156.9 Ų156.971%0.7177%0.771SS**  cis-159177.415.9-139.7-170.5172.200113.9
1005E28.2Very low27.7Very low132 Ų132154 Ų15462%0.61777%0.765SS**  trans76.291.4150.3-68.5-95.999.500121.8
1006Q27.8Very low27.7Very low145 Ų145155.1 Ų155.168%0.67877%0.766SS**  102.6108.6118.1-69.8-157.228.800124.4
1007V29.4Very low27.6Very low99 Ų99150 Ų15060%0.676%0.757SS**  90.5105.7118.6174.90000120.2
1008K28.7Very low27.5Very low188 Ų188151.3 Ų151.382%0.81776%0.756SS**  trans75.4112148.2-71.5166.5-168.2160.30120.3
1009K26.8Very low27.5Very low172 Ų172149 Ų14975%0.74875%0.75SS**  16.8140.7108.7-80.2-176.7162.3-140.30117.2
1010E27.4Very low27.6Very low124 Ų124147.3 Ų147.358%0.57975%0.752SS**  cis-158.514924.5-145.6144.5-147.300113.7
1011Q27.5Very low27.9Very low136 Ų136147.5 Ų147.564%0.63675%0.745SS**  trans23.9129.6147.3-62.2174.148.700121.6
1012Q27.3Very low28.3Very low170 Ų170145.8 Ų145.879%0.79474%0.737SS**  60.8144.1128.8-62.2178.86.100120.2
1013S26Very low28.6Very low94 Ų94145.9 Ų145.966%0.65774%0.737SS**  cis-170.7164.4-11.252.90000110.3
1014S27.5Very low28.9Very low106 Ų106144.3 Ų144.374%0.74174%0.739SS**  trans65131156.971.70000120.3
1015V26.6Very low29.5Very low124 Ų124143 Ų14375%0.75274%0.744SS**  160.2126116.7161.60000111.2
1016E27.8Very low30.1Very low178 Ų178142.4 Ų142.483%0.83275%0.754SS**  trans25.6112.7154.5-60.9-175.8106.600123.3
1017A28.1Very low30.8Very low90 Ų90144.1 Ų144.174%0.74476%0.762SS**  94154.8115.800000122.7
1018K29Very low31.7Very low188 Ų188143.9 Ų143.982%0.81776%0.763SS**  trans91.693.3165-59.5173.7-175.1166.10119
1019N26.7Very low32.6Very low150 Ų150142.6 Ų142.680%0.80277%0.765SS**  trans71.4144.9132.7-63.612000121.8
1020T28.1Very low33.8Very low136 Ų136142.3 Ų142.383%0.83476%0.764SS**  trans77.9123.8154.224.70000120.4
1021K32.8Very low35.5Very low171 Ų171145.3 Ų145.374%0.74378%0.776SS**  trans75.7123.3165-74.7-179.4153-79.80118.9
1022E36.3Very low37.1Very low148 Ų148146 Ų14669%0.69278%0.776SS**  28.1117.6126.3-57.6154.6150.300115.1
1023E33.5Very low38.8Very low191 Ų191143.1 Ų143.189%0.89376%0.762SS**  -156.4159.759.2-77.8173.8169.300112.5
1024T33.7Very low41.2Very low137 Ų137142.4 Ų142.484%0.8476%0.757SS**  trans-105.6116.2174.749.50000111.5
1025P40.7Very low43.2Very low124 Ų124143.6 Ų143.681%0.80577%0.765SS**PPolyproline II helixtrans-67.8137.3162.229.9-32.7000109.3Q1027P1025-Q1027 PolarHBondContact O-N 3.4Å
1026S39.5Very low45.2Very low120 Ų120143.6 Ų143.684%0.83976%0.761SS**PPolyproline II helixtrans-69.7120.1-176.852.40000112.1
1027Q43.6Very low47.7Very low180 Ų180135.7 Ų135.784%0.84172%0.724SS**PPolyproline II helixtrans-81.8148.4151.7-71.6-159.4-51.200109.4P1025P1025-Q1027 PolarHBondContact O-N 3.4Å
1028P48.3Very low49.7Very low94 Ų94137 Ų13761%0.6172%0.715SS**PPolyproline II helixtrans-71.5132174.329.5-33.6000110.6F1030P1028-F1030 HydrophobicContact CG-CE2 4.05Å; P1028-F1030 PolarHBondContact O-N 2.87Å
1029D46.5Very low51.9Low161 Ų161134.6 Ų134.686%0.86170%0.701SS**  trans-66.399.5171.4-79.2-44.3000110F1031D1029-F1031 VanDerWaalsContact C-N 3.31Å; D1029-F1031 PolarHBondContact O-N 3.36Å
1030F53.3Low53.9Low166 Ų166131.7 Ų131.773%0.72868%0.684SS**  trans-66.491.9167.8-77.8-82.6000109.2P1028 F1032 F1033P1028-F1030 HydrophobicContact CG-CE2 4.05Å; P1028-F1030 PolarHBondContact O-N 2.87Å; F1030-F1032 PolarHBondContact O-N 3.31Å; F1030-F1033 PolarHBondContact O-N 3.14Å
1031F62.6Low55.9Low188 Ų188130.3 Ų130.383%0.82567%0.667SS**THydrogen-bonded Turntrans-57.70.7-166.5-162.3-102.3000116.8D1029D1029-F1031 VanDerWaalsContact C-N 3.31Å; D1029-F1031 PolarHBondContact O-N 3.36Å
1032F61.1Low57.6Low149 Ų149128 Ų12865%0.65466%0.659SS**THydrogen-bonded Turntrans-115.9-30.3-179.1-72.2-84.9000114.8F1030 R1039F1030-F1032 PolarHBondContact O-N 3.31Å; F1032-R1039 PolarHBondContact O-NH2 3.36Å
1033F63.9Low59.3Low110 Ų110121.8 Ų121.848%0.48263%0.634SS.*  trans-148.7131-173.9-57.2-67.9000112.8F1030 L1040F1030-F1033 PolarHBondContact O-N 3.14Å; F1033-L1040 HydrophobicContact CB-CD1 3.9Å; F1033-L1040 HydrophobicContact CD1-CD1 3.7Å; F1033-L1040 HydrophobicContact CD1-CD2 3.73Å; F1033-L1040 HydrophobicContact CD1-CG 3.61Å; F1033-L1040 HydrophobicContact CE1-CD1 4.42Å; F1033-L1040 HydrophobicContact CE1-CD2 3.58Å; F1033-L1040 HydrophobicContact CE1-CG 3.94Å; F1033-L1040 HydrophobicContact CG-CD1 3.83Å; F1033-L1040 HydrophobicContact CG-CD2 4.33Å; F1033-L1040 HydrophobicContact CG-CG 4.25Å; F1033-L1040 HydrophobicContact CZ-CD2 4.07Å
1034S75.4Confident61.2Low79 Ų79115.9 Ų115.955%0.55261%0.612SS**  trans-92.8157.4164.161.30000110.7D1036 D1037S1034-D1036 PolarHBondContact O-N 2.85Å; S1034-D1037 WeakPolarHBondContact O-CB 3.41Å; S1034-D1037 PolarHBondContact O-N 2.86Å
1035S69.8Low62.7Low131 Ų131118.6 Ų118.692%0.91661%0.607SS**THydrogen-bonded Turntrans-58.1-18.8-175.6-48.40000114.9
1036D67.8Low64Low124 Ų124119.6 Ų119.666%0.66361%0.605SS**THydrogen-bonded Turntrans-116.814179.8-98.3-55.7000114.4S1034 H1038 K1041S1034-D1036 PolarHBondContact O-N 2.85Å; D1036-H1038 PolarHBondContact O-N 2.72Å; D1036-H1038 VanDerWaalsContact O-N 3.11Å; D1036-K1041 PolarHBondContact O-NZ 3.47Å; D1036-K1041 IonicContact OD1-NZ 3.19Å; D1036-K1041 PolarHBondContact OD1-NZ 2.86Å
1037D81.5Confident65.2Low13 Ų13122.8 Ų122.87%0.0760%0.604CS.*  trans-57.5115.1-176.5-169.3-5.7000113.4S1034 R1039 L1040S1034-D1037 WeakPolarHBondContact O-CB 3.41Å; S1034-D1037 PolarHBondContact O-N 2.86Å; D1037-R1039 PolarHBondContact O-N 3.37Å; D1037-R1039 VanDerWaalsContact O-N 3.13Å; D1037-R1039 WeakPolarHBondContact OD1-CB 3.4Å; D1037-R1039 WeakPolarHBondContact OD1-CG 3.31Å; D1037-R1039 PolarHBondContact OD1-N 2.9Å; D1037-R1039 IonicContact OD1-NE 3.99Å; D1037-R1039 PolarHBondContact OD1-NE 3.17Å; D1037-R1039 IonicContact OD2-CZ 2.81Å; D1037-R1039 IonicContact OD2-NE 2.8Å; D1037-R1039 PolarHBondContact OD2-NE 3.3Å; D1037-R1039 IonicContact OD2-NH2 2.75Å; D1037-R1039 PolarHBondContact OD2-NH2 3.28Å; D1037-L1040 PolarHBondContact O-N 2.97Å
1038H69Low66.2Low118 Ų118118.2 Ų118.255%0.54659%0.591SS.*Hα-helixtrans-48.6-34172.166.2-51.5000114.1D1036 L1040 K1041 E1042D1036-H1038 PolarHBondContact O-N 2.72Å; D1036-H1038 VanDerWaalsContact O-N 3.11Å; H1038-L1040 VanDerWaalsContact C-N 3.25Å; H1038-L1040 PolarHBondContact O-N 2.72Å; H1038-K1041 WeakPolarHBondContact O-CA 3.43Å; H1038-K1041 PolarHBondContact O-N 2.64Å; H1038-E1042 PolarHBondContact O-N 2.73Å
1039R75.9Confident67.1Low137 Ų137121.9 Ų121.952%0.51759%0.593SS.*Hα-helixtrans-62.7-31.5179.4-61.6178.7-62.5157.44.7112.4F1032 D1037 K1041 G1043F1032-R1039 PolarHBondContact O-NH2 3.36Å; D1037-R1039 PolarHBondContact O-N 3.37Å; D1037-R1039 VanDerWaalsContact O-N 3.13Å; D1037-R1039 WeakPolarHBondContact OD1-CB 3.4Å; D1037-R1039 WeakPolarHBondContact OD1-CG 3.31Å; D1037-R1039 PolarHBondContact OD1-N 2.9Å; D1037-R1039 IonicContact OD1-NE 3.99Å; D1037-R1039 PolarHBondContact OD1-NE 3.17Å; D1037-R1039 IonicContact OD2-CZ 2.81Å; D1037-R1039 IonicContact OD2-NE 2.8Å; D1037-R1039 PolarHBondContact OD2-NE 3.3Å; D1037-R1039 IonicContact OD2-NH2 2.75Å; D1037-R1039 PolarHBondContact OD2-NH2 3.28Å; R1039-K1041 VanDerWaalsContact C-N 3.32Å; R1039-G1043 WeakPolarHBondContact O-CA 3.28Å; R1039-G1043 PolarHBondContact O-N 3.5Å
1040L69.6Low68.1Low88 Ų88120.7 Ų120.746%0.46159%0.591SS.*Hα-helixtrans-79.1-14173.9-68.2178.2000113.3F1033 D1037 H1038 P1044F1033-L1040 HydrophobicContact CB-CD1 3.9Å; F1033-L1040 HydrophobicContact CD1-CD1 3.7Å; F1033-L1040 HydrophobicContact CD1-CD2 3.73Å; F1033-L1040 HydrophobicContact CD1-CG 3.61Å; F1033-L1040 HydrophobicContact CE1-CD1 4.42Å; F1033-L1040 HydrophobicContact CE1-CD2 3.58Å; F1033-L1040 HydrophobicContact CE1-CG 3.94Å; F1033-L1040 HydrophobicContact CG-CD1 3.83Å; F1033-L1040 HydrophobicContact CG-CD2 4.33Å; F1033-L1040 HydrophobicContact CG-CG 4.25Å; F1033-L1040 HydrophobicContact CZ-CD2 4.07Å; D1037-L1040 PolarHBondContact O-N 2.97Å; H1038-L1040 VanDerWaalsContact C-N 3.25Å; H1038-L1040 PolarHBondContact O-N 2.72Å; L1040-P1044 WeakPolarHBondContact O-CD 3.41Å; L1040-P1044 VanDerWaalsContact O-CG 3.28Å; L1040-P1044 WeakPolarHBondContact O-CG 3.36Å
1041K68.3Low68.9Low107 Ų107114.7 Ų114.747%0.46557%0.57SS.*Hα-helixtrans-97.8-30.1179-63.4168.1-176.9164.50112.1D1036 H1038 R1039D1036-K1041 PolarHBondContact O-NZ 3.47Å; D1036-K1041 IonicContact OD1-NZ 3.19Å; D1036-K1041 PolarHBondContact OD1-NZ 2.86Å; H1038-K1041 WeakPolarHBondContact O-CA 3.43Å; H1038-K1041 PolarHBondContact O-N 2.64Å; R1039-K1041 VanDerWaalsContact C-N 3.32Å
1042E68.6Low69.8Low123 Ų123112 Ų11258%0.57556%0.56SS**Hα-helixtrans-94.5-40.6176.2-65-174.1160.200112.7H1038 R1045 L1046H1038-E1042 PolarHBondContact O-N 2.73Å; E1042-R1045 WeakPolarHBondContact O-CA 3.37Å; E1042-R1045 WeakPolarHBondContact O-CB 3.33Å; E1042-R1045 PolarHBondContact O-N 3.31Å; E1042-L1046 PolarHBondContact O-N 3.09Å
1043G72.8Confident70.6Confident17 Ų17109.1 Ų109.118%0.17555%0.551CS.*Hα-helixtrans-51.5-52-178.500000113.8R1039 R1045 L1046 F1047R1039-G1043 WeakPolarHBondContact O-CA 3.28Å; R1039-G1043 PolarHBondContact O-N 3.5Å; G1043-R1045 PolarHBondContact O-N 3.01Å; G1043-L1046 WeakPolarHBondContact O-CB 3.18Å; G1043-L1046 PolarHBondContact O-N 3.39Å; G1043-F1047 WeakPolarHBondContact O-CD2 3.43Å; G1043-F1047 PolarHBondContact O-N 3Å
1044P72.9Confident71.5Confident67 Ų67109 Ų10944%0.43555%0.552SS.*Hα-helixtrans-58.5-28.6176.3-27.637.2000114.1L1040 L1046 F1047 C1048L1040-P1044 WeakPolarHBondContact O-CD 3.41Å; L1040-P1044 VanDerWaalsContact O-CG 3.28Å; L1040-P1044 WeakPolarHBondContact O-CG 3.36Å; P1044-L1046 VanDerWaalsContact C-N 3.28Å; P1044-L1046 PolarHBondContact O-N 3.4Å; P1044-F1047 PolarHBondContact O-N 3.5Å; P1044-C1048 WeakPolarHBondContact O-CB 3.18Å; P1044-C1048 PolarHBondContact O-N 3.12Å; P1044-C1048 PolarHBondContact O-SG 3.37Å; P1044-C1048 VanDerWaalsContact O-SG 3.33Å
1045R66.4Low72Confident195 Ų195110.3 Ų110.374%0.73655%0.549SS*.Hα-helixtrans-76.9-12.5175.5-69.9176.8165.4169-4.1114E1042 G1043E1042-R1045 WeakPolarHBondContact O-CA 3.37Å; E1042-R1045 WeakPolarHBondContact O-CB 3.33Å; E1042-R1045 PolarHBondContact O-N 3.31Å; G1043-R1045 PolarHBondContact O-N 3.01Å
1046L68Low72.7Confident145 Ų145107.8 Ų107.876%0.75952%0.523SS*.Hα-helixtrans-94.1-24.3172.8-61.4172.5000112.1E1042 G1043 P1044E1042-L1046 PolarHBondContact O-N 3.09Å; G1043-L1046 WeakPolarHBondContact O-CB 3.18Å; G1043-L1046 PolarHBondContact O-N 3.39Å; P1044-L1046 VanDerWaalsContact C-N 3.28Å; P1044-L1046 PolarHBondContact O-N 3.4Å
1047F64.3Low73.6Confident187 Ų187107.8 Ų107.882%0.8251%0.514SS*.Hα-helixtrans-98.8-27.5178-63.7-64000113.9G1043 P1044G1043-F1047 WeakPolarHBondContact O-CD2 3.43Å; G1043-F1047 PolarHBondContact O-N 3Å; P1044-F1047 PolarHBondContact O-N 3.5Å
1048C63.2Low74.2Confident84 Ų84113.5 Ų113.557%0.56854%0.54SS*.SBendtrans-85.6132168.8-62.10000110.4P1044P1044-C1048 WeakPolarHBondContact O-CB 3.18Å; P1044-C1048 PolarHBondContact O-N 3.12Å; P1044-C1048 PolarHBondContact O-SG 3.37Å; P1044-C1048 VanDerWaalsContact O-SG 3.33Å
1049R67.3Low75.3Confident171 Ų171114.5 Ų114.565%0.64555%0.545SS*.  trans-67.3133.7173.6-59.6-180-173.2-176.55.9109.6
1050T67.6Low76Confident135 Ų135115.7 Ų115.783%0.82855%0.55SS*.SBendtrans-90.2-14.8-17954.10000114
1051S71.9Confident77.2Confident40 Ų40117.2 Ų117.228%0.2856%0.555SS.*SBendtrans-103.3157.6176.654.40000110.8Q1056S1051-Q1056 VanDerWaalsContact OG-CD 3.24Å; S1051-Q1056 VanDerWaalsContact OG-CG 3.28Å; S1051-Q1056 WeakPolarHBondContact OG-CG 3.44Å; S1051-Q1056 PolarHBondContact OG-NE2 3.24Å
1052Q79.6Confident78.4Confident131 Ų131118.3 Ų118.361%0.61256%0.561SS**  trans-60.1144172.4-158.582.8-23.900109.5E1054 E1055 Q1056Q1052-E1054 HydrophobicContact CG-CB 4.42Å; Q1052-E1054 PolarHBondContact O-N 2.92Å; Q1052-E1055 HydrophobicContact CB-CB 4.12Å; Q1052-E1055 HydrophobicContact CB-CG 3.69Å; Q1052-E1055 VanDerWaalsContact CB-OE2 3.22Å; Q1052-E1055 WeakPolarHBondContact CB-OE2 3.33Å; Q1052-E1055 PolarHBondContact N-OE2 2.96Å; Q1052-E1055 PolarHBondContact O-N 3.2Å; Q1052-Q1056 PolarHBondContact O-N 3.05Å
1053L79.3Confident79.6Confident90 Ų90121.4 Ų121.447%0.47157%0.568SS.*Hα-helixtrans-64.6-32.4178.1-168.2148.7000111.6Q1056 R1057L1053-Q1056 PolarHBondContact O-N 3.35Å; L1053-R1057 PolarHBondContact O-N 3.11Å; L1053-R1057 VanDerWaalsContact O-N 3.14Å
1054E82.7Confident80.6Confident108 Ų108122.1 Ų122.151%0.50557%0.568SS.*Hα-helixtrans-72.2-41.2179.5-131.855.5-132.100112.7Q1052 Q1056 R1057 E1058Q1052-E1054 HydrophobicContact CG-CB 4.42Å; Q1052-E1054 PolarHBondContact O-N 2.92Å; E1054-Q1056 PolarHBondContact O-N 2.7Å; E1054-R1057 WeakPolarHBondContact O-CA 3.21Å; E1054-R1057 WeakPolarHBondContact O-CB 3.13Å; E1054-R1057 PolarHBondContact O-N 3.26Å; E1054-R1057 WeakPolarHBondContact OE1-CD 3.33Å; E1054-R1057 IonicContact OE1-CZ 3.34Å; E1054-R1057 IonicContact OE1-NE 2.67Å; E1054-R1057 PolarHBondContact OE1-NE 3.33Å; E1054-R1057 IonicContact OE1-NH2 3.47Å; E1054-R1057 IonicContact OE2-NH2 2.61Å; E1054-E1058 PolarHBondContact O-N 3.39Å
1055E85.8Confident81.6Confident105 Ų105121.2 Ų121.249%0.49156%0.564SS.*Hα-helixtrans-54.8-43.2171.5-69164.1167.200110.7Q1052 R1057 E1058 E1059Q1052-E1055 HydrophobicContact CB-CB 4.12Å; Q1052-E1055 HydrophobicContact CB-CG 3.69Å; Q1052-E1055 VanDerWaalsContact CB-OE2 3.22Å; Q1052-E1055 WeakPolarHBondContact CB-OE2 3.33Å; Q1052-E1055 PolarHBondContact N-OE2 2.96Å; Q1052-E1055 PolarHBondContact O-N 3.2Å; E1055-R1057 VanDerWaalsContact C-N 3.31Å; E1055-R1057 PolarHBondContact O-N 3.48Å; E1055-E1058 PolarHBondContact O-N 2.76Å; E1055-E1059 WeakPolarHBondContact O-CB 3.41Å; E1055-E1059 WeakPolarHBondContact O-CG 3.4Å; E1055-E1059 PolarHBondContact O-N 3.3Å
1056Q83.2Confident83Confident78 Ų78115.6 Ų115.636%0.36455%0.551SS.*Hα-helixtrans-69.4-26176.4-65.2-164-46.300113.7S1051 Q1052 L1053 E1054 W1060S1051-Q1056 VanDerWaalsContact OG-CD 3.24Å; S1051-Q1056 VanDerWaalsContact OG-CG 3.28Å; S1051-Q1056 WeakPolarHBondContact OG-CG 3.44Å; S1051-Q1056 PolarHBondContact OG-NE2 3.24Å; Q1052-Q1056 PolarHBondContact O-N 3.05Å; L1053-Q1056 PolarHBondContact O-N 3.35Å; E1054-Q1056 PolarHBondContact O-N 2.7Å; Q1056-W1060 WeakPolarHBondContact O-CB 3.47Å; Q1056-W1060 PolarHBondContact O-N 3.49Å
1057R88.3Confident84.3Confident124 Ų124113.8 Ų113.847%0.46854%0.542SS..Hα-helixtrans-74-46.3173.2-170.2-167.3-50.4-73.2-3.8110.3L1053 E1054 E1055 W1060 E1061L1053-R1057 PolarHBondContact O-N 3.11Å; L1053-R1057 VanDerWaalsContact O-N 3.14Å; E1054-R1057 WeakPolarHBondContact O-CA 3.21Å; E1054-R1057 WeakPolarHBondContact O-CB 3.13Å; E1054-R1057 PolarHBondContact O-N 3.26Å; E1054-R1057 WeakPolarHBondContact OE1-CD 3.33Å; E1054-R1057 IonicContact OE1-CZ 3.34Å; E1054-R1057 IonicContact OE1-NE 2.67Å; E1054-R1057 PolarHBondContact OE1-NE 3.33Å; E1054-R1057 IonicContact OE1-NH2 3.47Å; E1054-R1057 IonicContact OE2-NH2 2.61Å; E1055-R1057 VanDerWaalsContact C-N 3.31Å; E1055-R1057 PolarHBondContact O-N 3.48Å; R1057-W1060 CarbonylContact O-C 3.55Å; R1057-W1060 PolarHBondContact O-N 2.97Å; R1057-W1060 VanDerWaalsContact O-N 3.17Å; R1057-E1061 WeakPolarHBondContact O-CB 3.38Å; R1057-E1061 PolarHBondContact O-N 3.25Å
1058E92.6Very high85.8Confident134 Ų134113 Ų11363%0.62653%0.534SS*.Hα-helixtrans-62-50.2178.8-170.6167-145.800110.8E1054 E1055 W1060 E1061 E1062E1054-E1058 PolarHBondContact O-N 3.39Å; E1055-E1058 PolarHBondContact O-N 2.76Å; E1058-W1060 PolarHBondContact O-N 3.05Å; E1058-E1061 PolarHBondContact O-N 3.28Å; E1058-E1061 VanDerWaalsContact O-N 3.1Å; E1058-E1062 WeakPolarHBondContact O-CG 3.35Å; E1058-E1062 PolarHBondContact O-N 3.21Å
1059E92.3Very high87.3Confident138 Ų138115.4 Ų115.465%0.64554%0.536SS*.Hα-helixtrans-55.1-37.8172.1-78-169168.100112.5E1055 R1063E1055-E1059 WeakPolarHBondContact O-CB 3.41Å; E1055-E1059 WeakPolarHBondContact O-CG 3.4Å; E1055-E1059 PolarHBondContact O-N 3.3Å; E1059-R1063 WeakPolarHBondContact O-CB 3.32Å; E1059-R1063 PolarHBondContact O-N 2.76Å
1060W91.6Very high88.6Confident163 Ų163112 Ų11262%0.61753%0.527SS*.Hα-helixtrans-73.9-35.1178.6-177.295000112.5Q1056 R1057 E1058 R1063 T1064Q1056-W1060 WeakPolarHBondContact O-CB 3.47Å; Q1056-W1060 PolarHBondContact O-N 3.49Å; R1057-W1060 CarbonylContact O-C 3.55Å; R1057-W1060 PolarHBondContact O-N 2.97Å; R1057-W1060 VanDerWaalsContact O-N 3.17Å; E1058-W1060 PolarHBondContact O-N 3.05Å; W1060-R1063 PolarHBondContact O-N 3.36Å; W1060-T1064 HydrophobicContact CD2-CG2 3.99Å; W1060-T1064 HydrophobicContact CE3-CG2 4.28Å; W1060-T1064 HydrophobicContact CH2-CG2 4.19Å; W1060-T1064 HydrophobicContact CZ2-CG2 3.88Å; W1060-T1064 HydrophobicContact CZ3-CG2 4.37Å; W1060-T1064 WeakPolarHBondContact O-CB 3.31Å; W1060-T1064 WeakPolarHBondContact O-CG2 3.46Å; W1060-T1064 PolarHBondContact O-N 3.04Å; W1060-T1064 PolarHBondContact O-OG1 3.37Å
1061E93.9Very high90Very high120 Ų120113.2 Ų113.256%0.56152%0.518SS*.Hα-helixtrans-74.7-39.3176.5-174.2143.3-152.600111.9R1057 E1058 T1064 S1065R1057-E1061 WeakPolarHBondContact O-CB 3.38Å; R1057-E1061 PolarHBondContact O-N 3.25Å; E1058-E1061 PolarHBondContact O-N 3.28Å; E1058-E1061 VanDerWaalsContact O-N 3.1Å; E1061-T1064 WeakPolarHBondContact CA-OG1 3.49Å; E1061-T1064 PolarHBondContact O-OG1 2.85Å; E1061-S1065 WeakPolarHBondContact O-CB 3.28Å; E1061-S1065 PolarHBondContact O-N 3.35Å; E1061-S1065 PolarHBondContact O-OG 2.66Å
1062E94.3Very high91.2Very high129 Ų129119.5 Ų119.560%0.60354%0.536SS*.Hα-helixtrans-58.9-46.6166.1-72.7-157.9144.700111.3E1058 T1064 S1065 T1066E1058-E1062 WeakPolarHBondContact O-CG 3.35Å; E1058-E1062 PolarHBondContact O-N 3.21Å; E1062-T1064 PolarHBondContact O-N 3.42Å; E1062-S1065 WeakPolarHBondContact CA-OG 3.32Å; E1062-S1065 PolarHBondContact O-N 3Å; E1062-S1065 PolarHBondContact O-OG 3.36Å; E1062-T1066 WeakPolarHBondContact O-CB 3.3Å; E1062-T1066 VanDerWaalsContact O-CG2 3.32Å; E1062-T1066 WeakPolarHBondContact O-CG2 3.24Å; E1062-T1066 PolarHBondContact O-N 3.33Å; E1062-T1066 PolarHBondContact O-OG1 3.45Å
1063R94.8Very high92Very high189 Ų189119.5 Ų119.571%0.71353%0.534SS*.Hα-helixtrans-68.5-35.8-178.6-167.4176.7-157.284.30.7112.8E1059 W1060 T1066 L1067E1059-R1063 WeakPolarHBondContact O-CB 3.32Å; E1059-R1063 PolarHBondContact O-N 2.76Å; W1060-R1063 PolarHBondContact O-N 3.36Å; R1063-T1066 WeakPolarHBondContact CA-OG1 3.22Å; R1063-T1066 PolarHBondContact O-OG1 3.31Å; R1063-T1066 VanDerWaalsContact O-OG1 3.12Å; R1063-L1067 WeakPolarHBondContact O-CB 3.35Å; R1063-L1067 PolarHBondContact O-N 2.94Å; R1063-L1067 VanDerWaalsContact O-N 3.1Å
1064T93.4Very high92.8Very high31 Ų31120.6 Ų120.619%0.1954%0.535CS..Hα-helixtrans-78.9-35176.152.40000112.3W1060 E1061 E1062 L1067 R1068W1060-T1064 HydrophobicContact CD2-CG2 3.99Å; W1060-T1064 HydrophobicContact CE3-CG2 4.28Å; W1060-T1064 HydrophobicContact CH2-CG2 4.19Å; W1060-T1064 HydrophobicContact CZ2-CG2 3.88Å; W1060-T1064 HydrophobicContact CZ3-CG2 4.37Å; W1060-T1064 WeakPolarHBondContact O-CB 3.31Å; W1060-T1064 WeakPolarHBondContact O-CG2 3.46Å; W1060-T1064 PolarHBondContact O-N 3.04Å; W1060-T1064 PolarHBondContact O-OG1 3.37Å; E1061-T1064 WeakPolarHBondContact CA-OG1 3.49Å; E1061-T1064 PolarHBondContact O-OG1 2.85Å; E1062-T1064 PolarHBondContact O-N 3.42Å; T1064-L1067 PolarHBondContact O-N 3.15Å; T1064-R1068 WeakPolarHBondContact O-CB 3.48Å; T1064-R1068 WeakPolarHBondContact O-CD 3.43Å; T1064-R1068 WeakPolarHBondContact O-CG 3.33Å; T1064-R1068 PolarHBondContact O-N 2.91Å
1065S93.7Very high93.3Very high48 Ų48119.7 Ų119.734%0.33653%0.53SS..Hα-helixtrans-67.3-45.5174.463.10000111.8E1061 E1062 L1067 R1068 Q1069E1061-S1065 WeakPolarHBondContact O-CB 3.28Å; E1061-S1065 PolarHBondContact O-N 3.35Å; E1061-S1065 PolarHBondContact O-OG 2.66Å; E1062-S1065 WeakPolarHBondContact CA-OG 3.32Å; E1062-S1065 PolarHBondContact O-N 3Å; E1062-S1065 PolarHBondContact O-OG 3.36Å; S1065-L1067 PolarHBondContact O-N 3.32Å; S1065-R1068 WeakPolarHBondContact O-CB 3.33Å; S1065-R1068 PolarHBondContact O-N 3.39Å; S1065-Q1069 WeakPolarHBondContact O-CG 3.45Å; S1065-Q1069 PolarHBondContact O-N 2.92Å
1066T95.6Very high93.8Very high77 Ų77122.2 Ų122.247%0.47254%0.535SS..Hα-helixtrans-61.4-42.3172.551.70000112.1E1062 R1063 R1068 Q1069 E1070E1062-T1066 WeakPolarHBondContact O-CB 3.3Å; E1062-T1066 VanDerWaalsContact O-CG2 3.32Å; E1062-T1066 WeakPolarHBondContact O-CG2 3.24Å; E1062-T1066 PolarHBondContact O-N 3.33Å; E1062-T1066 PolarHBondContact O-OG1 3.45Å; R1063-T1066 WeakPolarHBondContact CA-OG1 3.22Å; R1063-T1066 PolarHBondContact O-OG1 3.31Å; R1063-T1066 VanDerWaalsContact O-OG1 3.12Å; T1066-R1068 PolarHBondContact O-N 2.84Å; T1066-Q1069 WeakPolarHBondContact O-CB 3.42Å; T1066-Q1069 PolarHBondContact O-N 2.87Å; T1066-E1070 PolarHBondContact O-N 3.02Å
1067L94.9Very high94.3Very high107 Ų107120.9 Ų120.956%0.5653%0.531SS*.Hα-helixtrans-63.6-39.2174.4-176.462.3000112.6R1063 T1064 S1065 Q1069 E1070 Y1071R1063-L1067 WeakPolarHBondContact O-CB 3.35Å; R1063-L1067 PolarHBondContact O-N 2.94Å; R1063-L1067 VanDerWaalsContact O-N 3.1Å; T1064-L1067 PolarHBondContact O-N 3.15Å; S1065-L1067 PolarHBondContact O-N 3.32Å; L1067-Q1069 VanDerWaalsContact C-N 3.35Å; L1067-E1070 PolarHBondContact O-N 3.49Å; L1067-Y1071 WeakPolarHBondContact O-CB 3.04Å; L1067-Y1071 PolarHBondContact O-N 3.14Å
1068R95.4Very high94.6Very high172 Ų172117.6 Ų117.665%0.64953%0.53SS*.Hα-helixtrans-62.9-39173-76.8166.7174.7-172.1-0.2111.5T1064 S1065 T1066 R1072T1064-R1068 WeakPolarHBondContact O-CB 3.48Å; T1064-R1068 WeakPolarHBondContact O-CD 3.43Å; T1064-R1068 WeakPolarHBondContact O-CG 3.33Å; T1064-R1068 PolarHBondContact O-N 2.91Å; S1065-R1068 WeakPolarHBondContact O-CB 3.33Å; S1065-R1068 PolarHBondContact O-N 3.39Å; T1066-R1068 PolarHBondContact O-N 2.84Å; R1068-R1072 WeakPolarHBondContact O-CB 3.48Å; R1068-R1072 VanDerWaalsContact O-CG 3.3Å; R1068-R1072 WeakPolarHBondContact O-CG 3.46Å; R1068-R1072 PolarHBondContact O-N 2.77Å
1069Q94.4Very high94.5Very high133 Ų133115.5 Ų115.562%0.62152%0.52SS*.Hα-helixtrans-65.9-45.4173.2-68.4-177.227.500111.9S1065 T1066 L1067 Y1071 R1072 K1073S1065-Q1069 WeakPolarHBondContact O-CG 3.45Å; S1065-Q1069 PolarHBondContact O-N 2.92Å; T1066-Q1069 WeakPolarHBondContact O-CB 3.42Å; T1066-Q1069 PolarHBondContact O-N 2.87Å; L1067-Q1069 VanDerWaalsContact C-N 3.35Å; Q1069-Y1071 VanDerWaalsContact C-N 3.34Å; Q1069-Y1071 PolarHBondContact O-N 3.33Å; Q1069-R1072 PolarHBondContact O-N 3.08Å; Q1069-K1073 WeakPolarHBondContact O-CB 3.45Å; Q1069-K1073 PolarHBondContact O-N 2.79Å
1070E96.3Very high94.5Very high99 Ų99116.9 Ų116.946%0.46352%0.519SS..Hα-helixtrans-58.6-43.9174.4-78.8-135.2134.400112T1066 L1067 K1073 K1074T1066-E1070 PolarHBondContact O-N 3.02Å; L1067-E1070 PolarHBondContact O-N 3.49Å; E1070-K1073 WeakPolarHBondContact O-CB 3.49Å; E1070-K1073 PolarHBondContact O-N 3.44Å; E1070-K1074 WeakPolarHBondContact O-CB 3.44Å; E1070-K1074 VanDerWaalsContact O-CG 3.25Å; E1070-K1074 WeakPolarHBondContact O-CG 3.29Å; E1070-K1074 PolarHBondContact O-N 2.88Å; E1070-K1074 WeakPolarHBondContact OE2-CE 3.37Å; E1070-K1074 IonicContact OE2-NZ 3.17Å; E1070-K1074 PolarHBondContact OE2-NZ 2.91Å
1071Y96.4Very high94.5Very high161 Ų161115.9 Ų115.963%0.63152%0.52SS*.Hα-helixtrans-60.9-50.4176.2178.8-102.3000111.4L1067 Q1069 K1073 K1074 H1075L1067-Y1071 WeakPolarHBondContact O-CB 3.04Å; L1067-Y1071 PolarHBondContact O-N 3.14Å; Q1069-Y1071 VanDerWaalsContact C-N 3.34Å; Q1069-Y1071 PolarHBondContact O-N 3.33Å; Y1071-K1073 PolarHBondContact O-N 2.7Å; Y1071-K1074 PolarHBondContact O-N 2.72Å; Y1071-H1075 VanDerWaalsContact O-CB 3.3Å; Y1071-H1075 WeakPolarHBondContact O-CB 3.41Å; Y1071-H1075 PolarHBondContact O-N 2.69Å
1072R96Very high94.2Very high172 Ų172115.4 Ų115.465%0.64952%0.52SS*.Hα-helixtrans-59.9-27.5175.4-73.4173.5174.6-174.4-1.2113.1R1068 Q1069 R1076R1068-R1072 WeakPolarHBondContact O-CB 3.48Å; R1068-R1072 VanDerWaalsContact O-CG 3.3Å; R1068-R1072 WeakPolarHBondContact O-CG 3.46Å; R1068-R1072 PolarHBondContact O-N 2.77Å; Q1069-R1072 PolarHBondContact O-N 3.08Å; R1072-R1076 WeakPolarHBondContact O-CB 3.18Å; R1072-R1076 WeakPolarHBondContact O-CG 3.47Å; R1072-R1076 PolarHBondContact O-N 2.96Å; R1072-R1076 PolarHBondContact O-NE 3.42Å
1073K96.6Very high93.9Very high131 Ų131116.4 Ų116.457%0.5752%0.523SS*.Hα-helixtrans-76.7-52.7173.6-174.1176.4-179.8177.60111.3Q1069 E1070 Y1071 H1075 R1076 D1077Q1069-K1073 WeakPolarHBondContact O-CB 3.45Å; Q1069-K1073 PolarHBondContact O-N 2.79Å; E1070-K1073 WeakPolarHBondContact O-CB 3.49Å; E1070-K1073 PolarHBondContact O-N 3.44Å; Y1071-K1073 PolarHBondContact O-N 2.7Å; K1073-H1075 VanDerWaalsContact C-N 3.31Å; K1073-H1075 PolarHBondContact O-N 3.19Å; K1073-R1076 PolarHBondContact O-N 2.84Å; K1073-D1077 PolarHBondContact O-N 3.4Å
1074K96Very high93.4Very high114 Ų114110.5 Ų110.550%0.49651%0.51SS..Hα-helixtrans-58.8-40.1178.4-69.5164.8-170.1169.90111.9E1070 Y1071 D1077 A1078E1070-K1074 WeakPolarHBondContact O-CB 3.44Å; E1070-K1074 VanDerWaalsContact O-CG 3.25Å; E1070-K1074 WeakPolarHBondContact O-CG 3.29Å; E1070-K1074 PolarHBondContact O-N 2.88Å; E1070-K1074 WeakPolarHBondContact OE2-CE 3.37Å; E1070-K1074 IonicContact OE2-NZ 3.17Å; E1070-K1074 PolarHBondContact OE2-NZ 2.91Å; Y1071-K1074 PolarHBondContact O-N 2.72Å; K1074-D1077 PolarHBondContact O-N 2.89Å; K1074-A1078 WeakPolarHBondContact O-CB 3.24Å; K1074-A1078 PolarHBondContact O-N 2.9Å
1075H94.1Very high92.8Very high89 Ų89110.9 Ų110.941%0.41252%0.516SS..Hα-helixtrans-64.9-46.6174.9-178.8-116.2000112.3Y1071 K1073 D1077 A1078 Q1079Y1071-H1075 VanDerWaalsContact O-CB 3.3Å; Y1071-H1075 WeakPolarHBondContact O-CB 3.41Å; Y1071-H1075 PolarHBondContact O-N 2.69Å; K1073-H1075 VanDerWaalsContact C-N 3.31Å; K1073-H1075 PolarHBondContact O-N 3.19Å; H1075-D1077 VanDerWaalsContact C-N 3.3Å; H1075-D1077 PolarHBondContact O-N 3.28Å; H1075-A1078 PolarHBondContact O-N 3.34Å; H1075-Q1079 PolarHBondContact CE1-NE2 3.29Å; H1075-Q1079 PolarHBondContact NE2-NE2 2.67Å; H1075-Q1079 PolarHBondContact O-N 3.26Å
1076R95.4Very high92Very high157 Ų157117.8 Ų117.859%0.59254%0.535SS*.Hα-helixtrans-62.3-36173.8-77.3-175.5-70.7174.4-2.2112.3R1072 K1073 R1080R1072-R1076 WeakPolarHBondContact O-CB 3.18Å; R1072-R1076 WeakPolarHBondContact O-CG 3.47Å; R1072-R1076 PolarHBondContact O-N 2.96Å; R1072-R1076 PolarHBondContact O-NE 3.42Å; K1073-R1076 PolarHBondContact O-N 2.84Å; R1076-R1080 WeakPolarHBondContact O-CB 3.36Å; R1076-R1080 WeakPolarHBondContact O-CG 3.25Å; R1076-R1080 PolarHBondContact O-N 3.46Å
1077D94.6Very high91.1Very high51 Ų51122.4 Ų122.427%0.27355%0.548SS..Hα-helixtrans-70.4-37.5175.4-70.6-15000112.5K1073 K1074 H1075 R1080 K1081K1073-D1077 PolarHBondContact O-N 3.4Å; K1074-D1077 PolarHBondContact O-N 2.89Å; H1075-D1077 VanDerWaalsContact C-N 3.3Å; H1075-D1077 PolarHBondContact O-N 3.28Å; D1077-R1080 PolarHBondContact O-N 3.15Å; D1077-R1080 IonicContact OD1-CZ 3.23Å; D1077-R1080 IonicContact OD1-NE 2.59Å; D1077-R1080 PolarHBondContact OD1-NE 3.16Å; D1077-R1080 IonicContact OD1-NH2 2.83Å; D1077-R1080 PolarHBondContact OD1-NH2 3.32Å; D1077-K1081 WeakPolarHBondContact O-CB 3.4Å; D1077-K1081 VanDerWaalsContact O-CG 3.29Å; D1077-K1081 WeakPolarHBondContact O-CG 3.43Å; D1077-K1081 PolarHBondContact O-N 3.2Å
1078A93.6Very high89.9Confident54 Ų54121.2 Ų121.245%0.44655%0.546SS..Hα-helixtrans-64.6-45.9172.500000111.6K1074 H1075 R1080 K1081 L1082K1074-A1078 WeakPolarHBondContact O-CB 3.24Å; K1074-A1078 PolarHBondContact O-N 2.9Å; H1075-A1078 PolarHBondContact O-N 3.34Å; A1078-R1080 PolarHBondContact O-N 3.19Å; A1078-K1081 PolarHBondContact O-N 2.87Å; A1078-L1082 WeakPolarHBondContact O-CB 3.3Å; A1078-L1082 PolarHBondContact O-N 3.33Å
1079Q92.2Very high88.3Confident91 Ų91121.8 Ų121.843%0.42555%0.548SS..Hα-helixtrans-62.4-40.2174.3-72.1-166.1-4.400112.5H1075 L1082 K1083H1075-Q1079 PolarHBondContact CE1-NE2 3.29Å; H1075-Q1079 PolarHBondContact NE2-NE2 2.67Å; H1075-Q1079 PolarHBondContact O-N 3.26Å; Q1079-L1082 PolarHBondContact O-N 3.05Å; Q1079-K1083 WeakPolarHBondContact O-CB 3.48Å; Q1079-K1083 WeakPolarHBondContact O-CG 3.44Å; Q1079-K1083 PolarHBondContact O-N 2.97Å
1080R92.3Very high86.7Confident166 Ų166117.8 Ų117.863%0.62654%0.542SS*.Hα-helixtrans-61.7-43.9173.7-78-168.6-73.7-167.3-1.4111.6R1076 D1077 A1078 K1083 S1084R1076-R1080 WeakPolarHBondContact O-CB 3.36Å; R1076-R1080 WeakPolarHBondContact O-CG 3.25Å; R1076-R1080 PolarHBondContact O-N 3.46Å; D1077-R1080 PolarHBondContact O-N 3.15Å; D1077-R1080 IonicContact OD1-CZ 3.23Å; D1077-R1080 IonicContact OD1-NE 2.59Å; D1077-R1080 PolarHBondContact OD1-NE 3.16Å; D1077-R1080 IonicContact OD1-NH2 2.83Å; D1077-R1080 PolarHBondContact OD1-NH2 3.32Å; A1078-R1080 PolarHBondContact O-N 3.19Å; R1080-K1083 PolarHBondContact O-N 3.2Å; R1080-S1084 PolarHBondContact O-N 2.94Å; R1080-S1084 PolarHBondContact O-OG 3.47Å
1081K91.4Very high84.7Confident143 Ų143117.3 Ų117.362%0.62255%0.55SS**Hα-helixtrans-61.2-44.3174.6-75.5172.2-178.1-179.80112.5D1077 A1078 S1084 A1085D1077-K1081 WeakPolarHBondContact O-CB 3.4Å; D1077-K1081 VanDerWaalsContact O-CG 3.29Å; D1077-K1081 WeakPolarHBondContact O-CG 3.43Å; D1077-K1081 PolarHBondContact O-N 3.2Å; A1078-K1081 PolarHBondContact O-N 2.87Å; K1081-S1084 WeakPolarHBondContact CA-OG 3.26Å; K1081-S1084 PolarHBondContact O-N 2.71Å; K1081-S1084 PolarHBondContact O-OG 2.96Å; K1081-A1085 VanDerWaalsContact O-CB 3.31Å; K1081-A1085 WeakPolarHBondContact O-CB 3.18Å; K1081-A1085 PolarHBondContact O-N 3.38Å
1082L87.7Confident82.4Confident109 Ų109120.8 Ų120.857%0.57156%0.562SS**Hα-helixtrans-63.2-43.4177.1-174.964.3000111.5A1078 Q1079 A1085 R1086A1078-L1082 WeakPolarHBondContact O-CB 3.3Å; A1078-L1082 PolarHBondContact O-N 3.33Å; Q1079-L1082 PolarHBondContact O-N 3.05Å; L1082-A1085 PolarHBondContact O-N 3.05Å; L1082-R1086 WeakPolarHBondContact O-CG 3.36Å; L1082-R1086 PolarHBondContact O-N 3.15Å
1083K87.9Confident80.1Confident151 Ų151120.8 Ų120.866%0.65757%0.57SS**Hα-helixtrans-62.2-42.1173.9-73.6-178.1177.8-173.90111.8Q1079 R1080 K1087Q1079-K1083 WeakPolarHBondContact O-CB 3.48Å; Q1079-K1083 WeakPolarHBondContact O-CG 3.44Å; Q1079-K1083 PolarHBondContact O-N 2.97Å; R1080-K1083 PolarHBondContact O-N 3.2Å; K1083-K1087 WeakPolarHBondContact O-CB 3.47Å; K1083-K1087 PolarHBondContact O-N 3.01Å
1084S83.5Confident77.5Confident65 Ų65123.9 Ų123.946%0.45560%0.599SS.*Hα-helixtrans-66.8-38.7173.654.40000113.1R1080 K1081 K1087 T1088R1080-S1084 PolarHBondContact O-N 2.94Å; R1080-S1084 PolarHBondContact O-OG 3.47Å; K1081-S1084 WeakPolarHBondContact CA-OG 3.26Å; K1081-S1084 PolarHBondContact O-N 2.71Å; K1081-S1084 PolarHBondContact O-OG 2.96Å; S1084-K1087 CarbonylContact O-C 3.53Å; S1084-K1087 PolarHBondContact O-N 3.12Å; S1084-T1088 PolarHBondContact O-N 3.41Å; S1084-T1088 PolarHBondContact O-OG1 3.06Å
1085A81.2Confident76.6Confident38 Ų38124.4 Ų124.431%0.31460%0.604SS.*Hα-helixtrans-67.2-38.4179.600000112.2K1081 L1082 T1088 R1089K1081-A1085 VanDerWaalsContact O-CB 3.31Å; K1081-A1085 WeakPolarHBondContact O-CB 3.18Å; K1081-A1085 PolarHBondContact O-N 3.38Å; L1082-A1085 PolarHBondContact O-N 3.05Å; A1085-T1088 WeakPolarHBondContact CA-OG1 3.31Å; A1085-T1088 PolarHBondContact O-N 3.47Å; A1085-T1088 PolarHBondContact O-OG1 3.14Å; A1085-R1089 PolarHBondContact O-N 2.88Å
1086R77.6Confident75.7Confident193 Ų193126.2 Ų126.273%0.72861%0.614SS**Hα-helixtrans-64.3-43.5170.1-69.6-179.875.4170.83.1111.1L1082 T1088 R1089 G1090L1082-R1086 WeakPolarHBondContact O-CG 3.36Å; L1082-R1086 PolarHBondContact O-N 3.15Å; R1086-T1088 VanDerWaalsContact C-N 3.35Å; R1086-T1088 PolarHBondContact O-N 3.26Å; R1086-R1089 PolarHBondContact O-N 3.09Å; R1086-G1090 PolarHBondContact O-N 3.24Å; R1086-G1090 VanDerWaalsContact O-N 3.07Å
1087K76.4Confident74.6Confident174 Ų174124.5 Ų124.576%0.75762%0.615SS**Hα-helixtrans-66.4-31176.7-172.1163.7-176.2167.70113.5K1083 S1084K1083-K1087 WeakPolarHBondContact O-CB 3.47Å; K1083-K1087 PolarHBondContact O-N 3.01Å; S1084-K1087 CarbonylContact O-C 3.53Å; S1084-K1087 PolarHBondContact O-N 3.12Å
1088T69.8Low73.4Confident83 Ų83128.8 Ų128.851%0.50964%0.635SS.*Hα-helixtrans-74.6-39.4171.748.60000112.1S1084 A1085 R1086 S1091 W1092S1084-T1088 PolarHBondContact O-N 3.41Å; S1084-T1088 PolarHBondContact O-OG1 3.06Å; A1085-T1088 WeakPolarHBondContact CA-OG1 3.31Å; A1085-T1088 PolarHBondContact O-N 3.47Å; A1085-T1088 PolarHBondContact O-OG1 3.14Å; R1086-T1088 VanDerWaalsContact C-N 3.35Å; R1086-T1088 PolarHBondContact O-N 3.26Å; T1088-S1091 WeakPolarHBondContact O-CB 3.42Å; T1088-S1091 PolarHBondContact O-N 2.66Å; T1088-S1091 VanDerWaalsContact O-N 3.1Å; T1088-W1092 VanDerWaalsContact O-CD1 3.32Å
1089R62Low72.2Confident184 Ų184133.5 Ų133.569%0.69465%0.647SS**Hα-helixtrans-61.2-47.8177.1-79.1-173.4176-171.7-1.6111.9A1085 R1086 S1091 W1092A1085-R1089 PolarHBondContact O-N 2.88Å; R1086-R1089 PolarHBondContact O-N 3.09Å; R1089-S1091 PolarHBondContact O-N 2.6Å; R1089-W1092 PolarHBondContact O-N 3.39Å
1090G59.4Low70.8Confident48 Ų48136.3 Ų136.350%0.49566%0.662SS.*THydrogen-bonded Turntrans-67.39173.800000115.6R1086R1086-G1090 PolarHBondContact O-N 3.24Å; R1086-G1090 VanDerWaalsContact O-N 3.07Å
1091S54.8Low69.3Low90 Ų90134.2 Ų134.263%0.62966%0.664SS**THydrogen-bonded Turntrans-110.24.2172.3-172.60000112.9T1088 R1089T1088-S1091 WeakPolarHBondContact O-CB 3.42Å; T1088-S1091 PolarHBondContact O-N 2.66Å; T1088-S1091 VanDerWaalsContact O-N 3.1Å; R1089-S1091 PolarHBondContact O-N 2.6Å
1092W47.4Very low67.6Low234 Ų234133.5 Ų133.589%0.88667%0.668SS**SBendtrans-112.210.1171.9-72.286000112.5T1088 R1089T1088-W1092 VanDerWaalsContact O-CD1 3.32Å; R1089-W1092 PolarHBondContact O-N 3.39Å
1093E49.2Very low65.9Low172 Ų172135.6 Ų135.680%0.80468%0.676SS**  trans-122.928-171.5-146.1157.6-144.200110.9
1094V42.2Very low63.9Low195 Ų195134.2 Ų134.2100%1.18268%0.678SS**  trans-139.30178.7-175.10000109

Retrieved 1,094 of 1,094 residues in 3449.8 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).