G4LZ93_SCHMA Loading...

dolichyl-diphosphooligosaccharide--protein glycotransferase

AlphaFold DB , UniProt , Accession G4LZ93, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 772 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M37.3Very low48.6Very low210 Ų210117.1 Ų117.1100%1.03466%0.661SS**  0-60.90-73.9-174.3175.200113.3S3 L4M1-S3 VanDerWaalsContact C-N 3.29Å; M1-S3 PolarHBondContact O-N 3.35Å; M1-L4 WeakPolarHBondContact O-CB 3.5Å; M1-L4 PolarHBondContact O-N 3.15Å
2L40.1Very low49.6Very low104 Ų104112.3 Ų112.355%0.54564%0.636SS.*Hα-helixtrans-46.7-40.4-174.3-92.4155.8000116.1L4 A5 V6L2-L4 VanDerWaalsContact C-N 3.31Å; L2-L4 PolarHBondContact O-N 2.98Å; L2-A5 WeakPolarHBondContact O-CB 3.39Å; L2-A5 PolarHBondContact O-N 3.42Å; L2-V6 PolarHBondContact O-N 3.03Å
3S41.7Very low51.5Low102 Ų102109.8 Ų109.871%0.71363%0.631SS**Hα-helixtrans-53.9-42.7174.3178.90000113.5M1 A5 V6 G7M1-S3 VanDerWaalsContact C-N 3.29Å; M1-S3 PolarHBondContact O-N 3.35Å; S3-A5 VanDerWaalsContact C-N 3.3Å; S3-A5 PolarHBondContact O-N 2.92Å; S3-V6 PolarHBondContact O-N 2.97Å; S3-G7 PolarHBondContact O-N 3.13Å
4L46Very low53.4Low149 Ų149109.2 Ų109.278%0.7863%0.63SS**Hα-helixtrans-68.8-26.4177.6-70.2162.9000113M1 L2M1-L4 WeakPolarHBondContact O-CB 3.5Å; M1-L4 PolarHBondContact O-N 3.15Å; L2-L4 VanDerWaalsContact C-N 3.31Å; L2-L4 PolarHBondContact O-N 2.98Å
5A49.9Very low55.1Low61 Ų61110.8 Ų110.850%0.50464%0.635SS.*Hα-helixtrans-76.9-43.117400000111.5L2 S3 G7 R8L2-A5 WeakPolarHBondContact O-CB 3.39Å; L2-A5 PolarHBondContact O-N 3.42Å; S3-A5 VanDerWaalsContact C-N 3.3Å; S3-A5 PolarHBondContact O-N 2.92Å; A5-G7 VanDerWaalsContact C-N 3.28Å; A5-G7 PolarHBondContact O-N 2.76Å; A5-R8 PolarHBondContact O-N 3.34Å
6V51.8Low57Low30 Ų30105.8 Ų105.818%0.18262%0.615CS.*Hα-helixtrans-66.7-29.9177.8175.80000111.8L2 S3 R8 F9 R17L2-V6 PolarHBondContact O-N 3.03Å; S3-V6 PolarHBondContact O-N 2.97Å; V6-R8 PolarHBondContact O-N 3.44Å; V6-F9 PolarHBondContact O-N 3.19Å; V6-F9 VanDerWaalsContact O-N 3.17Å; V6-R17 HydrophobicContact CG1-CB 4.37Å; V6-R17 HydrophobicContact CG1-CG 4.04Å
7G51.9Low58.4Low58 Ų58104.5 Ų104.560%0.59860%0.597SS**THydrogen-bonded Turntrans-57.7-17175.300000115.5S3 A5S3-G7 PolarHBondContact O-N 3.13Å; A5-G7 VanDerWaalsContact C-N 3.28Å; A5-G7 PolarHBondContact O-N 2.76Å
8R52.8Low60Low218 Ų218102.6 Ų102.682%0.82359%0.588SS**THydrogen-bonded Turntrans-854.5176.8-83.2-173.7170.3-178.6-2.6115.6A5 V6 P10A5-R8 PolarHBondContact O-N 3.34Å; V6-R8 PolarHBondContact O-N 3.44Å; R8-P10 WeakPolarHBondContact O-CD 3.39Å
9F49.7Very low61.5Low128 Ų12899.2 Ų99.256%0.56158%0.578SS**  trans-11786.9176.2-73-82.1000112.5V6 S11 V12 R17V6-F9 PolarHBondContact O-N 3.19Å; V6-F9 VanDerWaalsContact O-N 3.17Å; F9-S11 VanDerWaalsContact C-N 3.3Å; F9-S11 PolarHBondContact O-N 3.28Å; F9-V12 HydrophobicContact CB-CG2 4.14Å; F9-R17 PolarHBondContact O-NH2 3.12Å
10P55.1Low63Low117 Ų11798.8 Ų98.876%0.7657%0.573SS**THydrogen-bonded Turntrans-64.5-26.9-176.1-23.935.1000115.1R8R8-P10 WeakPolarHBondContact O-CD 3.39Å
11S58Low64.4Low111 Ų11197.2 Ų97.278%0.77657%0.565SS**THydrogen-bonded Turntrans-85.8-10.2-170.451.30000115.7F9F9-S11 VanDerWaalsContact C-N 3.3Å; F9-S11 PolarHBondContact O-N 3.28Å
12V60.8Low67Low59 Ų5988.1 Ų88.136%0.35852%0.521SS..SBendtrans-84123.3-179.2-175.30000109.9F9 R17F9-V12 HydrophobicContact CB-CG2 4.14Å; V12-R17 HydrophobicContact CB-CG 4.15Å; V12-R17 HydrophobicContact CG1-CG 3.92Å; V12-R17 PolarHBondContact O-NE 2.89Å
13S74.8Confident69.5Low81 Ų8189.3 Ų89.357%0.56652%0.522SS*.  trans-58.7154177.368.10000112.2N15 G16 R17S13-N15 PolarHBondContact O-N 3.43Å; S13-G16 WeakPolarHBondContact O-CA 3.27Å; S13-G16 PolarHBondContact O-N 3.5Å; S13-G16 PolarHBondContact OG-N 3.27Å; S13-R17 PolarHBondContact O-N 3.26Å
14T77.2Confident72Confident101 Ų10186.3 Ų86.362%0.6250%0.501SS*.Hα-helixtrans-52.9-41.9-178.7-46.20000112.2G16 R17 T18T14-G16 VanDerWaalsContact C-N 3.34Å; T14-G16 PolarHBondContact O-N 3.29Å; T14-R17 PolarHBondContact O-N 2.96Å; T14-T18 PolarHBondContact O-N 3.37Å; T14-T18 PolarHBondContact O-OG1 3.18Å
15N79.6Confident74.3Confident133 Ų13381.6 Ų81.671%0.71148%0.476SS*.Hα-helixtrans-66.3-32.8177.4-60.83000112.8S13 T18 G19S13-N15 PolarHBondContact O-N 3.43Å; N15-T18 WeakPolarHBondContact CA-OG1 3.38Å; N15-T18 PolarHBondContact O-OG1 3.02Å; N15-G19 PolarHBondContact O-N 3.42Å
16G85.8Confident76.4Confident30 Ų3079.8 Ų79.831%0.30946%0.458SS..Hα-helixtrans-69.7-38.7172.400000112.1S13 T14 L20S13-G16 WeakPolarHBondContact O-CA 3.27Å; S13-G16 PolarHBondContact O-N 3.5Å; S13-G16 PolarHBondContact OG-N 3.27Å; T14-G16 VanDerWaalsContact C-N 3.34Å; T14-G16 PolarHBondContact O-N 3.29Å; G16-L20 WeakPolarHBondContact O-CB 3.44Å; G16-L20 PolarHBondContact O-N 3.46Å
17R80.8Confident78.4Confident84 Ų8482.7 Ų82.732%0.31747%0.471SS..Hα-helixtrans-66.6-45.6175.8-66.2-179178.9165.51.3112.1V6 F9 V12 S13 T14 L20 V21V6-R17 HydrophobicContact CG1-CB 4.37Å; V6-R17 HydrophobicContact CG1-CG 4.04Å; F9-R17 PolarHBondContact O-NH2 3.12Å; V12-R17 HydrophobicContact CB-CG 4.15Å; V12-R17 HydrophobicContact CG1-CG 3.92Å; V12-R17 PolarHBondContact O-NE 2.89Å; S13-R17 PolarHBondContact O-N 3.26Å; T14-R17 PolarHBondContact O-N 2.96Å; R17-L20 PolarHBondContact O-N 3.07Å; R17-V21 WeakPolarHBondContact O-CG2 3.39Å; R17-V21 PolarHBondContact O-N 2.83Å
18T86.7Confident80.5Confident70 Ų7084.4 Ų84.443%0.42947%0.467SS..Hα-helixtrans-65.8-43.3176.154.60000111.4T14 N15 L20 V21 T22T14-T18 PolarHBondContact O-N 3.37Å; T14-T18 PolarHBondContact O-OG1 3.18Å; N15-T18 WeakPolarHBondContact CA-OG1 3.38Å; N15-T18 PolarHBondContact O-OG1 3.02Å; T18-L20 VanDerWaalsContact C-N 3.34Å; T18-L20 PolarHBondContact O-N 3.25Å; T18-V21 PolarHBondContact O-N 2.91Å; T18-T22 WeakPolarHBondContact O-CB 3.32Å; T18-T22 PolarHBondContact O-N 3.34Å; T18-T22 PolarHBondContact O-OG1 3.32Å
19G89.4Confident82.5Confident39 Ų3974.4 Ų74.440%0.40243%0.43SS..Hα-helixtrans-57-43.7174.500000113.3N15 F23N15-G19 PolarHBondContact O-N 3.42Å; G19-F23 WeakPolarHBondContact O-CB 3.16Å; G19-F23 PolarHBondContact O-N 3.38Å
20L91.6Very high84.7Confident91 Ų9172.8 Ų72.848%0.47642%0.42SS..Hα-helixtrans-63.9-45.9175.8-17963.6000112.1G16 R17 T18 F23 C24G16-L20 WeakPolarHBondContact O-CB 3.44Å; G16-L20 PolarHBondContact O-N 3.46Å; R17-L20 PolarHBondContact O-N 3.07Å; T18-L20 VanDerWaalsContact C-N 3.34Å; T18-L20 PolarHBondContact O-N 3.25Å; L20-F23 PolarHBondContact O-N 2.79Å; L20-C24 WeakPolarHBondContact O-CB 3.39Å; L20-C24 PolarHBondContact O-N 2.79Å; L20-C24 PolarHBondContact O-SG 3.4Å; L20-C24 VanDerWaalsContact O-SG 3.33Å
21V91.1Very high86.6Confident65 Ų6570.3 Ų70.339%0.39440%0.403SS..Hα-helixtrans-61.8-45.7177.9169.20000111.1R17 T18 F23 C24 I25R17-V21 WeakPolarHBondContact O-CG2 3.39Å; R17-V21 PolarHBondContact O-N 2.83Å; T18-V21 PolarHBondContact O-N 2.91Å; V21-F23 PolarHBondContact O-N 3.11Å; V21-C24 PolarHBondContact O-N 3.32Å; V21-I25 HydrophobicContact CG1-CD1 3.68Å; V21-I25 HydrophobicContact CG1-CG1 4.47Å; V21-I25 VanDerWaalsContact O-CG1 3.32Å; V21-I25 WeakPolarHBondContact O-CG1 3.14Å; V21-I25 PolarHBondContact O-N 2.85Å
22T91.8Very high88.3Confident19 Ų1968.5 Ų68.512%0.11739%0.387CS..Hα-helixtrans-57.7-46.5174.4-71.70000111.7T18 I25 L26 Y135 L148T18-T22 WeakPolarHBondContact O-CB 3.32Å; T18-T22 PolarHBondContact O-N 3.34Å; T18-T22 PolarHBondContact O-OG1 3.32Å; T22-I25 PolarHBondContact O-N 3.13Å; T22-L26 HydrophobicContact CG2-CD1 4.1Å; T22-L26 WeakPolarHBondContact O-CG 3.39Å; T22-L26 PolarHBondContact O-N 3.02Å; T22-Y135 HydrophobicContact CG2-CE2 4.18Å; T22-Y135 WeakPolarHBondContact CG2-OH 3.31Å; T22-L148 HydrophobicContact CG2-CD2 4.21Å
23F93Very high89.8Confident129 Ų12965.8 Ų65.857%0.56637%0.371SS*.Hα-helixtrans-62-46.6176.7178.4-99000112.2G19 L20 V21 I25 L26 L27G19-F23 WeakPolarHBondContact O-CB 3.16Å; G19-F23 PolarHBondContact O-N 3.38Å; L20-F23 PolarHBondContact O-N 2.79Å; V21-F23 PolarHBondContact O-N 3.11Å; F23-I25 PolarHBondContact O-N 3.25Å; F23-L26 PolarHBondContact O-N 3Å; F23-L27 HydrophobicContact CE1-CD2 4.32Å; F23-L27 WeakPolarHBondContact O-CB 3.37Å; F23-L27 PolarHBondContact O-N 3.26Å
24C93.9Very high90.7Very high39 Ų3964.8 Ų64.826%0.26436%0.357SS..Hα-helixtrans-62-39.8177.9-70.40000112.7L20 V21 L28L20-C24 WeakPolarHBondContact O-CB 3.39Å; L20-C24 PolarHBondContact O-N 2.79Å; L20-C24 PolarHBondContact O-SG 3.4Å; L20-C24 VanDerWaalsContact O-SG 3.33Å; V21-C24 PolarHBondContact O-N 3.32Å; C24-L28 WeakPolarHBondContact O-CB 3.4Å; C24-L28 VanDerWaalsContact O-CG 3.26Å; C24-L28 WeakPolarHBondContact O-CG 3.48Å; C24-L28 PolarHBondContact O-N 2.81Å
25I94.3Very high91.5Very high51 Ų5164.7 Ų64.726%0.26235%0.351SS..Hα-helixtrans-68-41.4177.8-67.4166.1000110.9V21 T22 F23 L28 A29 L148V21-I25 HydrophobicContact CG1-CD1 3.68Å; V21-I25 HydrophobicContact CG1-CG1 4.47Å; V21-I25 VanDerWaalsContact O-CG1 3.32Å; V21-I25 WeakPolarHBondContact O-CG1 3.14Å; V21-I25 PolarHBondContact O-N 2.85Å; T22-I25 PolarHBondContact O-N 3.13Å; F23-I25 PolarHBondContact O-N 3.25Å; I25-L28 PolarHBondContact O-N 2.99Å; I25-A29 WeakPolarHBondContact O-CB 3.41Å; I25-A29 PolarHBondContact O-N 3.1Å; I25-L148 HydrophobicContact CB-CD2 4.11Å; I25-L148 HydrophobicContact CD1-CD1 4.01Å; I25-L148 HydrophobicContact CG2-CB 4.36Å; I25-L148 HydrophobicContact CG2-CD2 3.88Å
26L94.2Very high92.2Very high23 Ų2358.8 Ų58.812%0.1232%0.319CS..Hα-helixtrans-66.4-38.9176.5-68.7172.6000112.4T22 F23 A29 W30 Y135 L148 A151T22-L26 HydrophobicContact CG2-CD1 4.1Å; T22-L26 WeakPolarHBondContact O-CG 3.39Å; T22-L26 PolarHBondContact O-N 3.02Å; F23-L26 PolarHBondContact O-N 3Å; L26-A29 PolarHBondContact O-N 2.78Å; L26-W30 PolarHBondContact O-N 3.39Å; L26-Y135 HydrophobicContact CD1-CD1 3.8Å; L26-Y135 HydrophobicContact CD1-CD2 4.32Å; L26-Y135 HydrophobicContact CD1-CE1 3.93Å; L26-Y135 HydrophobicContact CD1-CE2 4.48Å; L26-Y135 HydrophobicContact CD1-CG 4.02Å; L26-Y135 HydrophobicContact CD2-CD1 4.34Å; L26-Y135 HydrophobicContact CD2-CD2 4Å; L26-Y135 HydrophobicContact CD2-CG 3.76Å; L26-Y135 HydrophobicContact CG-CG 4.49Å; L26-L148 HydrophobicContact CD2-CD2 4.13Å; L26-L148 HydrophobicContact CG-CD2 4.03Å; L26-A151 HydrophobicContact CD2-CB 3.86Å
27L94.6Very high92.6Very high90 Ų9057.4 Ų57.447%0.47131%0.305SS..Hα-helixtrans-63.9-42.8173.6-177.862.2000111.5F23 W30 V31F23-L27 HydrophobicContact CE1-CD2 4.32Å; F23-L27 WeakPolarHBondContact O-CB 3.37Å; F23-L27 PolarHBondContact O-N 3.26Å; L27-W30 PolarHBondContact O-N 2.95Å; L27-V31 WeakPolarHBondContact O-CG2 3.37Å; L27-V31 PolarHBondContact O-N 3.48Å
28L95.2Very high93.2Very high95 Ų9554.7 Ų54.750%0.49730%0.297SS..Hα-helixtrans-64.9-40.6174.7-73.6168.8000112C24 I25 W30 V31 V32C24-L28 WeakPolarHBondContact O-CB 3.4Å; C24-L28 VanDerWaalsContact O-CG 3.26Å; C24-L28 WeakPolarHBondContact O-CG 3.48Å; C24-L28 PolarHBondContact O-N 2.81Å; I25-L28 PolarHBondContact O-N 2.99Å; L28-W30 VanDerWaalsContact C-N 3.34Å; L28-W30 PolarHBondContact O-N 3.21Å; L28-V31 PolarHBondContact O-N 3.02Å; L28-V32 WeakPolarHBondContact O-CB 3.24Å; L28-V32 VanDerWaalsContact O-CG2 3.3Å; L28-V32 WeakPolarHBondContact O-CG2 3.43Å; L28-V32 PolarHBondContact O-N 2.87Å
29A94.7Very high93.4Very high7 Ų753.8 Ų53.86%0.05829%0.287CS..Hα-helixtrans-62.9-39.7175.300000112I25 L26 G33 A155I25-A29 WeakPolarHBondContact O-CB 3.41Å; I25-A29 PolarHBondContact O-N 3.1Å; L26-A29 PolarHBondContact O-N 2.78Å; A29-G33 PolarHBondContact O-N 3.32Å; A29-A155 HydrophobicContact CB-CB 4.47Å; A29-A155 WeakPolarHBondContact O-CB 3.45Å
30W95.1Very high93.3Very high94 Ų9452 Ų5236%0.35627%0.268SS..Hα-helixtrans-62.2-52.2172.4-166.8-39000111.1L26 L27 L28 V32 G33 F34 M129 V132L26-W30 PolarHBondContact O-N 3.39Å; L27-W30 PolarHBondContact O-N 2.95Å; L28-W30 VanDerWaalsContact C-N 3.34Å; L28-W30 PolarHBondContact O-N 3.21Å; W30-V32 PolarHBondContact O-N 3.33Å; W30-G33 PolarHBondContact O-N 3.4Å; W30-F34 WeakPolarHBondContact O-CB 3.32Å; W30-F34 PolarHBondContact O-N 3.02Å; W30-M129 HydrophobicContact CH2-CG 3.73Å; W30-M129 HydrophobicContact CZ2-CG 3.94Å; W30-M129 HydrophobicContact CZ3-CG 4.49Å; W30-V132 HydrophobicContact CE3-CG2 4Å; W30-V132 HydrophobicContact CZ3-CG2 4.23Å
31V95.4Very high93.3Very high66 Ų6649 Ų4940%0.425%0.254SS..Hα-helixtrans-62.3-43.9-177.7169.70000111.8L27 L28 F34 I35L27-V31 WeakPolarHBondContact O-CG2 3.37Å; L27-V31 PolarHBondContact O-N 3.48Å; L28-V31 PolarHBondContact O-N 3.02Å; V31-F34 PolarHBondContact O-N 2.87Å; V31-I35 HydrophobicContact CG1-CD1 3.66Å; V31-I35 HydrophobicContact CG1-CG1 4.47Å; V31-I35 WeakPolarHBondContact O-CB 3.47Å; V31-I35 VanDerWaalsContact O-CG1 3.27Å; V31-I35 WeakPolarHBondContact O-CG1 3.41Å; V31-I35 PolarHBondContact O-N 3.16Å
32V94.1Very high93.2Very high73 Ų7351.8 Ų51.844%0.44227%0.265SS..Hα-helixtrans-65.5-43.6175.3171.80000111.1L28 W30 F34 I35 I36 I156L28-V32 WeakPolarHBondContact O-CB 3.24Å; L28-V32 VanDerWaalsContact O-CG2 3.3Å; L28-V32 WeakPolarHBondContact O-CG2 3.43Å; L28-V32 PolarHBondContact O-N 2.87Å; W30-V32 PolarHBondContact O-N 3.33Å; V32-F34 VanDerWaalsContact C-N 3.28Å; V32-F34 PolarHBondContact O-N 3.36Å; V32-I35 PolarHBondContact O-N 3.25Å; V32-I36 WeakPolarHBondContact O-CB 3.5Å; V32-I36 WeakPolarHBondContact O-CG2 3.32Å; V32-I36 PolarHBondContact O-N 3.46Å; V32-I156 HydrophobicContact CG1-CG2 3.67Å
33G93.1Very high92.9Very high1 Ų155.3 Ų55.31%0.0128%0.276CS..Hα-helixtrans-62.4-32.6176.700000113.5A29 W30 R37 A155A29-G33 PolarHBondContact O-N 3.32Å; W30-G33 PolarHBondContact O-N 3.4Å; G33-R37 VanDerWaalsContact O-CD 3.27Å; G33-R37 WeakPolarHBondContact O-CD 3.31Å; G33-R37 PolarHBondContact O-NH1 2.92Å; G33-A155 WeakPolarHBondContact CA-O 3.47Å
34F94Very high92.6Very high61 Ų6151.2 Ų51.227%0.26826%0.258SS..Hα-helixtrans-70.7-54.5171.6-175.1-94.6000111.2W30 V31 V32 I36 R37 L38 F121 P124 I125W30-F34 WeakPolarHBondContact O-CB 3.32Å; W30-F34 PolarHBondContact O-N 3.02Å; V31-F34 PolarHBondContact O-N 2.87Å; V32-F34 VanDerWaalsContact C-N 3.28Å; V32-F34 PolarHBondContact O-N 3.36Å; F34-I36 PolarHBondContact O-N 3.35Å; F34-R37 PolarHBondContact O-N 2.86Å; F34-L38 HydrophobicContact CD1-CD1 4.1Å; F34-L38 HydrophobicContact CE1-CD1 3.85Å; F34-L38 HydrophobicContact CE1-CD2 4.12Å; F34-L38 HydrophobicContact CE1-CG 4.39Å; F34-L38 HydrophobicContact CZ-CD2 4.31Å; F34-F121 HydrophobicContact CZ-CD1 4.49Å; F34-P124 HydrophobicContact CD2-CB 3.43Å; F34-P124 VanDerWaalsContact CD2-CB 3.43Å; F34-P124 HydrophobicContact CE2-CB 3.64Å; F34-P124 HydrophobicContact CG-CB 4.26Å; F34-I125 HydrophobicContact CD2-CG1 4.47Å; F34-I125 HydrophobicContact CE2-CG1 4.06Å
35I94.1Very high92.3Very high98 Ų9853.7 Ų53.750%0.50327%0.266SS..Hα-helixtrans-59.8-43.4-175.1-70.3168.4000112.3V31 V32 R37 L38V31-I35 HydrophobicContact CG1-CD1 3.66Å; V31-I35 HydrophobicContact CG1-CG1 4.47Å; V31-I35 WeakPolarHBondContact O-CB 3.47Å; V31-I35 VanDerWaalsContact O-CG1 3.27Å; V31-I35 WeakPolarHBondContact O-CG1 3.41Å; V31-I35 PolarHBondContact O-N 3.16Å; V32-I35 PolarHBondContact O-N 3.25Å; I35-R37 PolarHBondContact O-N 3.43Å; I35-R37 VanDerWaalsContact O-N 3.11Å; I35-L38 WeakPolarHBondContact O-CB 3.42Å; I35-L38 PolarHBondContact O-N 2.86Å
36I93.4Very high92.1Very high9 Ų952.8 Ų52.85%0.04626%0.264CS..G310 helixtrans-62-22.2-177.6-160.6169.2000112.8V32 F34 F39 I156 I161 V519 S522V32-I36 WeakPolarHBondContact O-CB 3.5Å; V32-I36 WeakPolarHBondContact O-CG2 3.32Å; V32-I36 PolarHBondContact O-N 3.46Å; F34-I36 PolarHBondContact O-N 3.35Å; I36-F39 HydrophobicContact CG1-CE2 4.16Å; I36-F39 WeakPolarHBondContact O-CD2 3.5Å; I36-I156 HydrophobicContact CD1-CB 4.05Å; I36-I156 HydrophobicContact CD1-CG2 4.05Å; I36-I161 HydrophobicContact CD1-CD1 3.88Å; I36-I161 HydrophobicContact CG1-CD1 4.14Å; I36-I161 HydrophobicContact CG2-CD1 3.94Å; I36-V519 HydrophobicContact CD1-CG2 3.99Å; I36-S522 PolarHBondContact O-OG 2.98Å
37R94.2Very high91.8Very high1 Ų152.6 Ų52.60%0.00426%0.264CS..G310 helixtrans-86.3-7.5179-72.3165.717073.94.6114.2G33 F34 I35 P124 S127 A155 S164 A166G33-R37 VanDerWaalsContact O-CD 3.27Å; G33-R37 WeakPolarHBondContact O-CD 3.31Å; G33-R37 PolarHBondContact O-NH1 2.92Å; F34-R37 PolarHBondContact O-N 2.86Å; I35-R37 PolarHBondContact O-N 3.43Å; I35-R37 VanDerWaalsContact O-N 3.11Å; R37-P124 HydrophobicContact CB-CB 4.35Å; R37-P124 HydrophobicContact CB-CG 3.99Å; R37-S127 PolarHBondContact NE-OG 3.27Å; R37-S127 PolarHBondContact NH1-OG 3.12Å; R37-S127 VanDerWaalsContact NH1-OG 3.16Å; R37-S127 PolarHBondContact NH2-OG 2.98Å; R37-S127 VanDerWaalsContact NH2-OG 3.17Å; R37-A155 PolarHBondContact NH1-O 3.28Å; R37-S164 WeakPolarHBondContact CD-O 3.4Å; R37-S164 WeakPolarHBondContact CG-O 3.31Å; R37-S164 PolarHBondContact NE-O 2.92Å; R37-S164 PolarHBondContact NE-OG 3.44Å; R37-S164 PolarHBondContact NH2-OG 3.32Å; R37-S164 VanDerWaalsContact NH2-OG 3.07Å; R37-A166 WeakPolarHBondContact O-CB 3.43Å; R37-A166 PolarHBondContact O-N 3.39Å
38L93.8Very high91.6Very high28 Ų2848.4 Ų48.415%0.14724%0.242CC..G310 helixtrans-85.7-5-175.4-57.6-179000114.6F34 I35 S40 V41 I42 F121 A166F34-L38 HydrophobicContact CD1-CD1 4.1Å; F34-L38 HydrophobicContact CE1-CD1 3.85Å; F34-L38 HydrophobicContact CE1-CD2 4.12Å; F34-L38 HydrophobicContact CE1-CG 4.39Å; F34-L38 HydrophobicContact CZ-CD2 4.31Å; I35-L38 WeakPolarHBondContact O-CB 3.42Å; I35-L38 PolarHBondContact O-N 2.86Å; L38-S40 PolarHBondContact O-N 2.98Å; L38-S40 VanDerWaalsContact O-N 3.12Å; L38-V41 PolarHBondContact O-N 2.69Å; L38-V41 VanDerWaalsContact O-N 3.15Å; L38-I42 HydrophobicContact CB-CD1 3.66Å; L38-I42 HydrophobicContact CB-CG1 4.17Å; L38-I42 WeakPolarHBondContact O-CG1 3.48Å; L38-I42 PolarHBondContact O-N 2.94Å; L38-F121 HydrophobicContact CD2-CD1 4.14Å; L38-F121 HydrophobicContact CD2-CE1 3.98Å; L38-A166 HydrophobicContact CD2-CB 4.07Å
39F91.3Very high91.1Very high51 Ų5144.4 Ų44.422%0.22422%0.22CC..Hα-helixtrans-56.6-31-175.2-75.5-58.3000114.2I36 R43 V519 S523 S527I36-F39 HydrophobicContact CG1-CE2 4.16Å; I36-F39 WeakPolarHBondContact O-CD2 3.5Å; F39-R43 VanDerWaalsContact O-CB 3.29Å; F39-R43 WeakPolarHBondContact O-CB 3.34Å; F39-R43 WeakPolarHBondContact O-CD 3.49Å; F39-R43 WeakPolarHBondContact O-CG 3.39Å; F39-R43 PolarHBondContact O-N 3.11Å; F39-V519 HydrophobicContact CE2-CG1 4.5Å; F39-V519 HydrophobicContact CZ-CG1 4.19Å; F39-S523 VanDerWaalsContact CD1-OG 3.22Å; F39-S523 WeakPolarHBondContact CD1-OG 3.17Å; F39-S523 VanDerWaalsContact CE1-OG 3.26Å; F39-S523 WeakPolarHBondContact CE1-OG 3.29Å; F39-S523 WeakPolarHBondContact CG-OG 3.35Å; F39-S527 VanDerWaalsContact CB-CB 3.42Å
40S87.2Confident90.7Very high1 Ų147.4 Ų47.41%0.00723%0.233CC..Hα-helixtrans-63-59.6173.543.50000111L38 I42 R43 F44 H49 A166L38-S40 PolarHBondContact O-N 2.98Å; L38-S40 VanDerWaalsContact O-N 3.12Å; S40-I42 VanDerWaalsContact C-N 3.31Å; S40-I42 PolarHBondContact O-N 3.05Å; S40-R43 PolarHBondContact O-N 3.02Å; S40-R43 VanDerWaalsContact O-N 3.15Å; S40-F44 PolarHBondContact O-N 3.19Å; S40-F44 VanDerWaalsContact O-N 3.09Å; S40-H49 WeakPolarHBondContact CB-NE2 3.45Å; S40-A166 PolarHBondContact OG-O 3.45Å
41V90.1Very high90.3Very high28 Ų2844.8 Ų44.817%0.1723%0.225CC..Hα-helixtrans-60.5-37.6-178.5179.20000112L38 V120 F121 A166L38-V41 PolarHBondContact O-N 2.69Å; L38-V41 VanDerWaalsContact O-N 3.15Å; V41-V120 HydrophobicContact CG2-CG1 3.97Å; V41-F121 HydrophobicContact CG1-CE1 4.46Å; V41-F121 HydrophobicContact CG1-CZ 4.31Å; V41-F121 HydrophobicContact CG2-CE1 4.47Å; V41-A166 HydrophobicContact CG2-CB 3.66Å
42I90.3Very high90Very high123 Ų12344 Ų4463%0.63122%0.218SC*.Hα-helixtrans-70.6-30.2179.1-66.8166.5000112.4L38 S40L38-I42 HydrophobicContact CB-CD1 3.66Å; L38-I42 HydrophobicContact CB-CG1 4.17Å; L38-I42 WeakPolarHBondContact O-CG1 3.48Å; L38-I42 PolarHBondContact O-N 2.94Å; S40-I42 VanDerWaalsContact C-N 3.31Å; S40-I42 PolarHBondContact O-N 3.05Å
43R85.7Confident89.9Confident94 Ų9440.6 Ų40.636%0.35520%0.198SC..Hα-helixtrans-93.8-12.4-177.4-71.4174.7171.7-162.35.3114.2F39 S40 S523 K542F39-R43 VanDerWaalsContact O-CB 3.29Å; F39-R43 WeakPolarHBondContact O-CB 3.34Å; F39-R43 WeakPolarHBondContact O-CD 3.49Å; F39-R43 WeakPolarHBondContact O-CG 3.39Å; F39-R43 PolarHBondContact O-N 3.11Å; S40-R43 PolarHBondContact O-N 3.02Å; S40-R43 VanDerWaalsContact O-N 3.15Å; R43-S523 PolarHBondContact NH1-O 2.58Å; R43-S523 PolarHBondContact NH2-O 3.42Å; R43-S523 PolarHBondContact NH2-OG 3.34Å; R43-K542 PolarHBondContact O-NZ 3.23Å
44F85.9Confident89.9Confident43 Ų4341.7 Ų41.719%0.18920%0.201CC..SBendtrans-140.7-113.4-173.5-62.4-95.2000109.8S40 P529 V532 A534 K542S40-F44 PolarHBondContact O-N 3.19Å; S40-F44 VanDerWaalsContact O-N 3.09Å; F44-P529 HydrophobicContact CB-CG 4.48Å; F44-P529 HydrophobicContact CD1-CG 3.72Å; F44-P529 HydrophobicContact CD2-CG 3.87Å; F44-P529 HydrophobicContact CE1-CG 3.71Å; F44-P529 HydrophobicContact CE2-CG 3.91Å; F44-P529 HydrophobicContact CG-CG 3.79Å; F44-P529 VanDerWaalsContact CZ-CD 3.49Å; F44-P529 HydrophobicContact CZ-CG 3.82Å; F44-V532 HydrophobicContact CD1-CB 4.49Å; F44-V532 HydrophobicContact CD1-CG1 4.05Å; F44-V532 HydrophobicContact CE1-CG1 4.28Å; F44-A534 HydrophobicContact CE1-CB 4.13Å; F44-A534 HydrophobicContact CZ-CB 3.98Å; F44-K542 VanDerWaalsContact CZ-NZ 3.32Å
45E87.7Confident89.9Confident91 Ų9139.2 Ų39.243%0.42519%0.19SC..  trans-141.7160.8-173.9-62.9169.8-141.100109.8V47 R549E45-V47 HydrophobicContact CB-CG2 3.75Å; E45-V47 PolarHBondContact O-N 3.33Å; E45-R549 IonicContact OE1-CZ 3.94Å; E45-R549 IonicContact OE1-NH1 2.65Å; E45-R549 PolarHBondContact OE1-NH1 3.44Å; E45-R549 IonicContact OE1-NH2 3.75Å; E45-R549 PolarHBondContact OE1-NH2 3.16Å; E45-R549 IonicContact OE2-CZ 3.2Å; E45-R549 IonicContact OE2-NH1 2.98Å; E45-R549 PolarHBondContact OE2-NH1 3.43Å; E45-R549 IonicContact OE2-NH2 3.56Å
46S89.6Confident89.9Confident31 Ų3134.9 Ų34.922%0.21717%0.168CC..SBendtrans-77.562.8172.160.60000112.3R116 E117S46-R116 PolarHBondContact O-NE 3.13Å; S46-E117 WeakPolarHBondContact CB-OE2 3.16Å; S46-E117 PolarHBondContact OG-OE1 3.21Å; S46-E117 PolarHBondContact OG-OE2 3.29Å
47V88.7Confident89.9Confident20 Ų2036 Ų3612%0.12117%0.172CC..  trans-110.8152.3179.8179.80000109.2E45 H49 W54 I531E45-V47 HydrophobicContact CB-CG2 3.75Å; E45-V47 PolarHBondContact O-N 3.33Å; V47-H49 PolarHBondContact O-CE1 3Å; V47-H49 PolarHBondContact O-ND1 3.01Å; V47-H49 VanDerWaalsContact O-ND1 3.11Å; V47-W54 HydrophobicContact CG1-CH2 4.4Å; V47-W54 HydrophobicContact CG1-CZ2 4.12Å; V47-I531 HydrophobicContact CG1-CD1 4.31Å
48I90.8Very high89.9Confident2 Ų238.1 Ų38.11%0.0118%0.18CC..  trans-75.2141.7176.9-66.8-179.7000109.3P53 W54 Y57 C119 V120 G167 I531I48-P53 HydrophobicContact CG2-CB 3.43Å; I48-P53 VanDerWaalsContact CG2-CB 3.43Å; I48-W54 HydrophobicContact CB-CZ2 4.1Å; I48-Y57 HydrophobicContact CD1-CD1 4.15Å; I48-Y57 HydrophobicContact CD1-CD2 3.52Å; I48-Y57 HydrophobicContact CD1-CE2 4.28Å; I48-Y57 HydrophobicContact CD1-CG 3.44Å; I48-Y57 VanDerWaalsContact CD1-CG 3.44Å; I48-C119 HydrophobicContact CD1-CB 4.05Å; I48-V120 HydrophobicContact CG1-CG2 3.84Å; I48-G167 CarbonylContact C-O 3.5Å; I48-G167 WeakPolarHBondContact CA-O 3.08Å; I48-I531 WeakPolarHBondContact O-CD1 3.38Å
49H85Confident89.9Confident10 Ų1036.8 Ų36.85%0.04617%0.173CC..  trans-110.5174-174.5-59.3-14.5000111.7S40 V47 P53 G167S40-H49 WeakPolarHBondContact CB-NE2 3.45Å; V47-H49 PolarHBondContact O-CE1 3Å; V47-H49 PolarHBondContact O-ND1 3.01Å; V47-H49 VanDerWaalsContact O-ND1 3.11Å; H49-P53 WeakPolarHBondContact O-CD 3.25Å; H49-P53 VanDerWaalsContact O-CG 3.26Å; H49-P53 WeakPolarHBondContact O-CG 3.45Å; H49-G167 PolarHBondContact N-O 2.7Å
50E85.2Confident90Very high71 Ų7134.3 Ų34.333%0.33216%0.162SC..SBendtrans58.2-169.7-174.8-58.1-46.2106.300115.5P53 W54 S530 Q574E50-P53 HydrophobicContact CB-CG 4.3Å; E50-W54 PolarHBondContact O-NE1 3.43Å; E50-S530 WeakPolarHBondContact OE1-CB 3.42Å; E50-S530 PolarHBondContact OE1-OG 2.94Å; E50-S530 PolarHBondContact OE2-OG 3.21Å; E50-Q574 PolarHBondContact O-NE2 3.36Å; E50-Q574 VanDerWaalsContact O-NE2 3.14Å
51F86.2Confident90.2Very high39 Ų3938.2 Ų38.217%0.17118%0.179CC..SBendtrans-95.6-54.7-179.4-55.5-87.6000110.5W54 D570 Y571 Q574F51-W54 PolarHBondContact O-N 3.48Å; F51-D570 WeakPolarHBondContact CD1-O 3.39Å; F51-Y571 HydrophobicContact CD1-CD1 4.43Å; F51-Y571 AromaticContact CE1-CD1 3.94Å; F51-Y571 HydrophobicContact CE1-CD1 3.94Å; F51-Y571 HydrophobicContact CE1-CE1 4.26Å; F51-Q574 VanDerWaalsContact CD1-CD 3.43Å; F51-Q574 HydrophobicContact CD1-CG 4.06Å; F51-Q574 VanDerWaalsContact CD1-NE2 3.27Å
52D88.7Confident90.3Very high49 Ų4939 Ų3926%0.26218%0.181SC..THydrogen-bonded Turntrans-50.2-46.3-178.6-60.419.2000114.2W54 F55 R408 N587D52-W54 PolarHBondContact O-N 2.72Å; D52-W54 VanDerWaalsContact O-N 3.12Å; D52-F55 PolarHBondContact O-N 3.06Å; D52-R408 IonicContact OD2-NH1 3.76Å; D52-N587 PolarHBondContact OD1-ND2 2.87Å
53P92.7Very high90.4Very high2 Ų234 Ų341%0.01316%0.155CC..Hα-helixtrans-64.9-17.7-174.1-29.842.2000116.1I48 H49 E50 F55 N56 Y57 Y169 D170I48-P53 HydrophobicContact CG2-CB 3.43Å; I48-P53 VanDerWaalsContact CG2-CB 3.43Å; H49-P53 WeakPolarHBondContact O-CD 3.25Å; H49-P53 VanDerWaalsContact O-CG 3.26Å; H49-P53 WeakPolarHBondContact O-CG 3.45Å; E50-P53 HydrophobicContact CB-CG 4.3Å; P53-F55 VanDerWaalsContact C-N 3.35Å; P53-N56 PolarHBondContact O-N 2.93Å; P53-Y57 WeakPolarHBondContact O-CB 3.39Å; P53-Y57 PolarHBondContact O-N 2.83Å; P53-Y169 WeakPolarHBondContact CB-O 3.07Å; P53-D170 HydrophobicContact CG-CB 4.35Å
54W93Very high90.6Very high23 Ų2331.9 Ų31.99%0.08715%0.153CC..Hα-helixtrans-67.5-34.8178.6-76.589.4000112.9V47 I48 E50 F51 D52 Y57 R58 I531 Y573 Q574 M578V47-W54 HydrophobicContact CG1-CH2 4.4Å; V47-W54 HydrophobicContact CG1-CZ2 4.12Å; I48-W54 HydrophobicContact CB-CZ2 4.1Å; E50-W54 PolarHBondContact O-NE1 3.43Å; F51-W54 PolarHBondContact O-N 3.48Å; D52-W54 PolarHBondContact O-N 2.72Å; D52-W54 VanDerWaalsContact O-N 3.12Å; W54-Y57 HydrophobicContact CE3-CD1 4.36Å; W54-Y57 HydrophobicContact CZ3-CD1 4.32Å; W54-R58 WeakPolarHBondContact O-CB 3.34Å; W54-R58 PolarHBondContact O-N 2.76Å; W54-I531 HydrophobicContact CZ2-CD1 3.77Å; W54-Y573 WeakPolarHBondContact CB-O 3.28Å; W54-Q574 HydrophobicContact CG-CG 4.34Å; W54-M578 HydrophobicContact CD2-CE 4.31Å; W54-M578 HydrophobicContact CE3-CG 4.12Å; W54-M578 HydrophobicContact CH2-CE 3.74Å; W54-M578 HydrophobicContact CH2-CG 3.95Å; W54-M578 HydrophobicContact CZ2-CE 3.29Å; W54-M578 HydrophobicContact CZ2-CG 4.38Å; W54-M578 HydrophobicContact CZ3-CE 4.4Å; W54-M578 HydrophobicContact CZ3-CG 3.8Å
55F94.1Very high90.9Very high9 Ų935.5 Ų35.54%0.03917%0.17CC..Hα-helixtrans-67-46.9171.9175-105.1000111.8D52 P53 Y57 R58 A59 R85 V87 V91 Y573D52-F55 PolarHBondContact O-N 3.06Å; P53-F55 VanDerWaalsContact C-N 3.35Å; F55-Y57 VanDerWaalsContact C-N 3.26Å; F55-Y57 PolarHBondContact O-N 3.47Å; F55-R58 PolarHBondContact O-N 2.77Å; F55-A59 VanDerWaalsContact O-CB 3.29Å; F55-A59 WeakPolarHBondContact O-CB 3.42Å; F55-A59 PolarHBondContact O-N 3.09Å; F55-R85 VanDerWaalsContact CE2-NH1 3.35Å; F55-R85 VanDerWaalsContact CZ-NH2 3.32Å; F55-V87 HydrophobicContact CE2-CG1 4.29Å; F55-V87 HydrophobicContact CE2-CG2 4.25Å; F55-V87 HydrophobicContact CZ-CG1 3.8Å; F55-V87 HydrophobicContact CZ-CG2 4.42Å; F55-V91 HydrophobicContact CE1-CB 4.42Å; F55-V91 HydrophobicContact CE1-CG2 3.76Å; F55-V91 HydrophobicContact CZ-CG2 4.37Å; F55-Y573 HydrophobicContact CB-CD1 3.54Å; F55-Y573 HydrophobicContact CB-CD2 3.66Å; F55-Y573 HydrophobicContact CB-CE1 3.42Å; F55-Y573 VanDerWaalsContact CB-CE1 3.42Å; F55-Y573 HydrophobicContact CB-CE2 3.56Å; F55-Y573 HydrophobicContact CB-CG 3.65Å; F55-Y573 VanDerWaalsContact CB-CZ 3.42Å; F55-Y573 HydrophobicContact CD1-CE1 4.35Å; F55-Y573 AromaticContact CD1-CZ 3.99Å; F55-Y573 HydrophobicContact CD2-CD1 4.13Å; F55-Y573 AromaticContact CD2-CE1 3.59Å; F55-Y573 HydrophobicContact CD2-CE1 3.59Å; F55-Y573 HydrophobicContact CE2-CE1 4.47Å; F55-Y573 HydrophobicContact CG-CD1 4.1Å; F55-Y573 AromaticContact CG-CE1 3.52Å; F55-Y573 HydrophobicContact CG-CE1 3.52Å; F55-Y573 HydrophobicContact CG-CE2 4.18Å; F55-Y573 AromaticContact CG-CZ 3.56Å
56N94.3Very high90.8Very high7 Ų735.6 Ų35.64%0.03717%0.173CC..Hα-helixtrans-57.4-43.6178-61.3-23.6000110.6P53 T60 L95 M96 Y169P53-N56 PolarHBondContact O-N 2.93Å; N56-T60 WeakPolarHBondContact O-CB 3.39Å; N56-T60 PolarHBondContact O-N 3.43Å; N56-T60 PolarHBondContact O-OG1 3.35Å; N56-L95 HydrophobicContact CB-CD2 3.83Å; N56-M96 HydrophobicContact CB-CE 4.08Å; N56-M96 WeakPolarHBondContact OD1-CE 3.31Å; N56-Y169 VanDerWaalsContact C-CE1 3.48Å; N56-Y169 HydrophobicContact CB-CD1 3.62Å; N56-Y169 HydrophobicContact CB-CE1 3.53Å; N56-Y169 PolarHBondContact ND2-O 3.49Å
57Y94.2Very high90.8Very high32 Ų3236.6 Ų36.613%0.12518%0.181CC..Hα-helixtrans-63.9-48176.5174.5-117.4000112.6I48 P53 W54 F55 A59 T60 K61 I115 R116 C119I48-Y57 HydrophobicContact CD1-CD1 4.15Å; I48-Y57 HydrophobicContact CD1-CD2 3.52Å; I48-Y57 HydrophobicContact CD1-CE2 4.28Å; I48-Y57 HydrophobicContact CD1-CG 3.44Å; I48-Y57 VanDerWaalsContact CD1-CG 3.44Å; P53-Y57 WeakPolarHBondContact O-CB 3.39Å; P53-Y57 PolarHBondContact O-N 2.83Å; W54-Y57 HydrophobicContact CE3-CD1 4.36Å; W54-Y57 HydrophobicContact CZ3-CD1 4.32Å; F55-Y57 VanDerWaalsContact C-N 3.26Å; F55-Y57 PolarHBondContact O-N 3.47Å; Y57-A59 VanDerWaalsContact C-N 3.34Å; Y57-A59 PolarHBondContact O-N 3.01Å; Y57-T60 PolarHBondContact O-N 3.12Å; Y57-K61 WeakPolarHBondContact O-CB 3.24Å; Y57-K61 PolarHBondContact O-N 2.75Å; Y57-I115 HydrophobicContact CE2-CG2 4.33Å; Y57-R116 HydrophobicContact CE2-CB 3.97Å; Y57-R116 HydrophobicContact CE2-CG 4.39Å; Y57-C119 HydrophobicContact CD2-CB 4.43Å
58R93.4Very high90.8Very high46 Ų4640.9 Ų40.917%0.17420%0.198CC..Hα-helixtrans-61.1-42178.1-176.6170.5168.8-109.2-14.6111.8W54 F55 K61 Q62 W74 D76 T78W54-R58 WeakPolarHBondContact O-CB 3.34Å; W54-R58 PolarHBondContact O-N 2.76Å; F55-R58 PolarHBondContact O-N 2.77Å; R58-K61 PolarHBondContact O-N 3.3Å; R58-Q62 WeakPolarHBondContact O-CB 3.34Å; R58-Q62 PolarHBondContact O-N 3.49Å; R58-W74 HydrophobicContact CG-CH2 4.49Å; R58-D76 IonicContact CZ-OD1 2.73Å; R58-D76 IonicContact CZ-OD2 2.77Å; R58-D76 VanDerWaalsContact CZ-OD2 3.32Å; R58-D76 IonicContact NH1-OD1 3.41Å; R58-D76 IonicContact NH1-OD2 3.65Å; R58-D76 PolarHBondContact NH1-OD2 3.14Å; R58-D76 VanDerWaalsContact NH2-CG 3.33Å; R58-D76 IonicContact NH2-OD1 3.79Å; R58-D76 PolarHBondContact NH2-OD1 3.37Å; R58-D76 IonicContact NH2-OD2 2.73Å; R58-D76 PolarHBondContact NH2-OD2 2.94Å; R58-D76 VanDerWaalsContact NH2-OD2 3.08Å; R58-T78 PolarHBondContact NH2-OG1 3.28Å
59A92.9Very high90.7Very high0 Ų047.6 Ų47.60%023%0.229CC..Hα-helixtrans-62.6-42.1173.900000112.8F55 Y57 Q62 M63 F71 W74 M96F55-A59 VanDerWaalsContact O-CB 3.29Å; F55-A59 WeakPolarHBondContact O-CB 3.42Å; F55-A59 PolarHBondContact O-N 3.09Å; Y57-A59 VanDerWaalsContact C-N 3.34Å; Y57-A59 PolarHBondContact O-N 3.01Å; A59-Q62 PolarHBondContact O-N 3.24Å; A59-M63 WeakPolarHBondContact O-CB 3.31Å; A59-M63 PolarHBondContact O-N 2.91Å; A59-F71 HydrophobicContact CB-CE2 4.03Å; A59-W74 HydrophobicContact CB-CZ3 4.08Å; A59-M96 HydrophobicContact CB-CE 4.23Å; A59-M96 HydrophobicContact CB-CG 4.05Å
60T94Very high90.9Very high0 Ų049.2 Ų49.20%024%0.242CC..Hα-helixtrans-67.1-43176.8-61.70000112N56 Y57 M63 V64 M96 S99 I115 Y169N56-T60 WeakPolarHBondContact O-CB 3.39Å; N56-T60 PolarHBondContact O-N 3.43Å; N56-T60 PolarHBondContact O-OG1 3.35Å; Y57-T60 PolarHBondContact O-N 3.12Å; T60-M63 PolarHBondContact O-N 2.92Å; T60-V64 WeakPolarHBondContact O-CB 3.38Å; T60-V64 WeakPolarHBondContact O-CG2 3.19Å; T60-V64 PolarHBondContact O-N 3.07Å; T60-M96 WeakPolarHBondContact OG1-CA 3.5Å; T60-M96 WeakPolarHBondContact OG1-CB 3.27Å; T60-M96 WeakPolarHBondContact OG1-CG 3.34Å; T60-S99 VanDerWaalsContact CG2-OG 3.31Å; T60-S99 WeakPolarHBondContact CG2-OG 3.36Å; T60-I115 HydrophobicContact CG2-CD1 3.82Å; T60-I115 HydrophobicContact CG2-CG1 3.94Å; T60-Y169 PolarHBondContact OG1-OH 3.11Å
61K92.5Very high91.1Very high83 Ų8346 Ų4636%0.36123%0.227SC..Hα-helixtrans-58-50.6173.8-174.8-174.1174.3-165.10110.6Y57 R58 M63 V64 E65Y57-K61 WeakPolarHBondContact O-CB 3.24Å; Y57-K61 PolarHBondContact O-N 2.75Å; R58-K61 PolarHBondContact O-N 3.3Å; K61-M63 VanDerWaalsContact C-N 3.3Å; K61-M63 PolarHBondContact O-N 2.94Å; K61-V64 PolarHBondContact O-N 2.85Å; K61-V64 VanDerWaalsContact O-N 3.15Å; K61-E65 WeakPolarHBondContact CE-OE1 3.4Å; K61-E65 WeakPolarHBondContact CE-OE2 3.45Å; K61-E65 HydrophobicContact CG-CG 4.3Å; K61-E65 IonicContact NZ-OE1 2.69Å; K61-E65 IonicContact NZ-OE2 3.75Å; K61-E65 WeakPolarHBondContact O-CB 3.47Å; K61-E65 WeakPolarHBondContact O-CG 3.41Å; K61-E65 PolarHBondContact O-N 3.44Å
62Q90.6Very high91.3Very high44 Ų4449.5 Ų49.521%0.20624%0.239CC..Hα-helixtrans-55-42.9177.1179.764.713.600112.7R58 A59 N66 W74R58-Q62 WeakPolarHBondContact O-CB 3.34Å; R58-Q62 PolarHBondContact O-N 3.49Å; A59-Q62 PolarHBondContact O-N 3.24Å; Q62-N66 VanDerWaalsContact CD-ND2 3.34Å; Q62-N66 PolarHBondContact NE2-ND2 2.96Å; Q62-N66 PolarHBondContact O-N 2.85Å; Q62-N66 VanDerWaalsContact O-N 3.16Å; Q62-N66 PolarHBondContact O-ND2 2.85Å; Q62-N66 PolarHBondContact OE1-ND2 3.16Å; Q62-N66 VanDerWaalsContact OE1-ND2 3.16Å; Q62-W74 HydrophobicContact CB-CE3 4.42Å; Q62-W74 HydrophobicContact CB-CH2 4.43Å; Q62-W74 HydrophobicContact CB-CZ3 4.28Å; Q62-W74 HydrophobicContact CG-CD2 3.82Å; Q62-W74 HydrophobicContact CG-CE3 3.92Å; Q62-W74 HydrophobicContact CG-CG 4.33Å; Q62-W74 HydrophobicContact CG-CH2 4.41Å; Q62-W74 HydrophobicContact CG-CZ2 4.29Å; Q62-W74 HydrophobicContact CG-CZ3 4.22Å
63M92.7Very high91.4Very high18 Ų1852.4 Ų52.49%0.08926%0.255CS..Hα-helixtrans-68.1-37.9178.2-171.2-16769.200113.1A59 T60 K61 S67 F68 F71 M96 I97A59-M63 WeakPolarHBondContact O-CB 3.31Å; A59-M63 PolarHBondContact O-N 2.91Å; T60-M63 PolarHBondContact O-N 2.92Å; K61-M63 VanDerWaalsContact C-N 3.3Å; K61-M63 PolarHBondContact O-N 2.94Å; M63-S67 CarbonylContact O-C 3.14Å; M63-S67 PolarHBondContact O-N 3.45Å; M63-F68 HydrophobicContact CG-CD2 4.44Å; M63-F68 HydrophobicContact SD-CD2 4.11Å; M63-F71 HydrophobicContact CB-CB 3.78Å; M63-F71 HydrophobicContact CB-CD1 4.23Å; M63-F71 HydrophobicContact CB-CD2 4.08Å; M63-F71 HydrophobicContact CB-CG 3.76Å; M63-F71 HydrophobicContact CG-CB 3.74Å; M63-F71 HydrophobicContact CG-CD1 3.84Å; M63-F71 HydrophobicContact CG-CG 3.8Å; M63-F71 HydrophobicContact SD-CD1 3.95Å; M63-F71 HydrophobicContact SD-CE1 4.27Å; M63-F71 HydrophobicContact SD-CG 4.45Å; M63-M96 HydrophobicContact CE-CB 4.43Å; M63-M96 WeakPolarHBondContact CE-O 3.39Å; M63-M96 HydrophobicContact SD-CB 4.24Å; M63-I97 HydrophobicContact SD-CG1 4.28Å
64V91.5Very high91.4Very high50 Ų5053.5 Ų53.530%0.30326%0.259SS..Hα-helixtrans-76.4-35-179.9168.80000112.1T60 K61 I115T60-V64 WeakPolarHBondContact O-CB 3.38Å; T60-V64 WeakPolarHBondContact O-CG2 3.19Å; T60-V64 PolarHBondContact O-N 3.07Å; K61-V64 PolarHBondContact O-N 2.85Å; K61-V64 VanDerWaalsContact O-N 3.15Å; V64-I115 HydrophobicContact CG2-CD1 4Å; V64-I115 HydrophobicContact CG2-CG1 4.34Å
65E90.6Very high91.4Very high119 Ų11957.7 Ų57.756%0.55628%0.278SS*.Hα-helixtrans-82.6-37.9-177.3-70.9179.2163.600113.6K61K61-E65 WeakPolarHBondContact CE-OE1 3.4Å; K61-E65 WeakPolarHBondContact CE-OE2 3.45Å; K61-E65 HydrophobicContact CG-CG 4.3Å; K61-E65 IonicContact NZ-OE1 2.69Å; K61-E65 IonicContact NZ-OE2 3.75Å; K61-E65 WeakPolarHBondContact O-CB 3.47Å; K61-E65 WeakPolarHBondContact O-CG 3.41Å; K61-E65 PolarHBondContact O-N 3.44Å
66N86.9Confident91.3Very high92 Ų9257.5 Ų57.549%0.49228%0.277SS..THydrogen-bonded Turntrans-104.2-48.4-172.2-66.1-77.1000114.3Q62Q62-N66 VanDerWaalsContact CD-ND2 3.34Å; Q62-N66 PolarHBondContact NE2-ND2 2.96Å; Q62-N66 PolarHBondContact O-N 2.85Å; Q62-N66 VanDerWaalsContact O-N 3.16Å; Q62-N66 PolarHBondContact O-ND2 2.85Å; Q62-N66 PolarHBondContact OE1-ND2 3.16Å; Q62-N66 VanDerWaalsContact OE1-ND2 3.16Å
67S89.2Confident91.2Very high53 Ų5360.9 Ų60.937%0.37130%0.301SS..  trans154.1165.6171.250.70000110.8M63 S70 F71M63-S67 CarbonylContact O-C 3.14Å; M63-S67 PolarHBondContact O-N 3.45Å; S67-S70 PolarHBondContact O-N 3.43Å; S67-S70 VanDerWaalsContact OG-CB 3.24Å; S67-S70 WeakPolarHBondContact OG-CB 3.45Å; S67-S70 PolarHBondContact OG-N 2.88Å; S67-S70 VanDerWaalsContact OG-N 3.15Å; S67-F71 WeakPolarHBondContact O-CB 3.28Å; S67-F71 PolarHBondContact O-N 3.49Å
68F88.4Confident91.1Very high110 Ų11061.2 Ų61.248%0.48231%0.307SS..Hα-helixtrans-62.2-38.6169.8-178.2-105000113.2M63 F71 Y72 I97M63-F68 HydrophobicContact CG-CD2 4.44Å; M63-F68 HydrophobicContact SD-CD2 4.11Å; F68-F71 HydrophobicContact CD2-CD1 4.37Å; F68-F71 HydrophobicContact CE2-CD1 4.4Å; F68-F71 PolarHBondContact O-N 2.95Å; F68-Y72 HydrophobicContact CZ-CD2 4.33Å; F68-Y72 WeakPolarHBondContact O-CB 3.46Å; F68-Y72 PolarHBondContact O-N 3.45Å; F68-I97 HydrophobicContact CD2-CG1 4.46Å; F68-I97 HydrophobicContact CE2-CD1 3.82Å; F68-I97 HydrophobicContact CE2-CG1 3.86Å; F68-I97 HydrophobicContact CZ-CD1 4.36Å
69E89.2Confident91Very high143 Ų14359 Ų5967%0.66830%0.299SS*.Hα-helixtrans-68.4-41.2178.1-174.5176.4179.700111.9F71 Y72 N73E69-F71 VanDerWaalsContact C-N 3.32Å; E69-F71 PolarHBondContact O-N 3.25Å; E69-Y72 PolarHBondContact O-N 3.3Å; E69-N73 PolarHBondContact O-N 2.95Å; E69-N73 VanDerWaalsContact O-N 3.09Å; E69-N73 PolarHBondContact O-ND2 2.88Å
70S88.2Confident91.1Very high44 Ų4459 Ų5931%0.30830%0.299SS..Hα-helixtrans-60.1-41.6172.2-179.70000111.8S67 N73 W74S67-S70 PolarHBondContact O-N 3.43Å; S67-S70 VanDerWaalsContact OG-CB 3.24Å; S67-S70 WeakPolarHBondContact OG-CB 3.45Å; S67-S70 PolarHBondContact OG-N 2.88Å; S67-S70 VanDerWaalsContact OG-N 3.15Å; S70-N73 CarbonylContact O-C 3.56Å; S70-W74 WeakPolarHBondContact O-CA 3.49Å; S70-W74 WeakPolarHBondContact O-CB 3.3Å; S70-W74 PolarHBondContact O-N 3.43Å; S70-W74 VanDerWaalsContact O-N 3.08Å
71F90.1Very high91.1Very high3 Ų361.7 Ų61.71%0.01331%0.309CS..Hα-helixtrans-66.1-44.4175.3170.8-110.6000113.2A59 M63 S67 F68 E69 N73 W74 V87 V91 P93 M96A59-F71 HydrophobicContact CB-CE2 4.03Å; M63-F71 HydrophobicContact CB-CB 3.78Å; M63-F71 HydrophobicContact CB-CD1 4.23Å; M63-F71 HydrophobicContact CB-CD2 4.08Å; M63-F71 HydrophobicContact CB-CG 3.76Å; M63-F71 HydrophobicContact CG-CB 3.74Å; M63-F71 HydrophobicContact CG-CD1 3.84Å; M63-F71 HydrophobicContact CG-CG 3.8Å; M63-F71 HydrophobicContact SD-CD1 3.95Å; M63-F71 HydrophobicContact SD-CE1 4.27Å; M63-F71 HydrophobicContact SD-CG 4.45Å; S67-F71 WeakPolarHBondContact O-CB 3.28Å; S67-F71 PolarHBondContact O-N 3.49Å; F68-F71 HydrophobicContact CD2-CD1 4.37Å; F68-F71 HydrophobicContact CE2-CD1 4.4Å; F68-F71 PolarHBondContact O-N 2.95Å; E69-F71 VanDerWaalsContact C-N 3.32Å; E69-F71 PolarHBondContact O-N 3.25Å; F71-N73 VanDerWaalsContact C-N 3.29Å; F71-N73 PolarHBondContact O-N 2.9Å; F71-W74 HydrophobicContact CD2-CE3 4.2Å; F71-W74 HydrophobicContact CE2-CE3 4.44Å; F71-W74 WeakPolarHBondContact O-CB 3.42Å; F71-W74 PolarHBondContact O-N 3.34Å; F71-W74 VanDerWaalsContact O-N 3.11Å; F71-V87 HydrophobicContact CE2-CG1 4.4Å; F71-V91 HydrophobicContact CZ-CG1 4.1Å; F71-P93 HydrophobicContact CE1-CB 3.99Å; F71-P93 HydrophobicContact CZ-CB 4.41Å; F71-M96 HydrophobicContact CZ-CB 4.27Å; F71-M96 HydrophobicContact CZ-CG 4.18Å; F71-M96 HydrophobicContact CZ-SD 4.37Å
72Y89.5Confident91Very high112 Ų11261.5 Ų61.544%0.43932%0.317SS..Hα-helixtrans-62.3-37.4-179.8-171.5-90.7000112.1F68 E69 P258F68-Y72 HydrophobicContact CZ-CD2 4.33Å; F68-Y72 WeakPolarHBondContact O-CB 3.46Å; F68-Y72 PolarHBondContact O-N 3.45Å; E69-Y72 PolarHBondContact O-N 3.3Å; Y72-P258 HydrophobicContact CE2-CG 3.71Å; Y72-P258 WeakPolarHBondContact OH-CG 3.34Å
73N91.5Very high91.2Very high110 Ų11063.2 Ų63.259%0.58833%0.327SS*.THydrogen-bonded Turntrans-95.515.7176.2-63.7-50.2000113.4E69 S70 F71 F75E69-N73 PolarHBondContact O-N 2.95Å; E69-N73 VanDerWaalsContact O-N 3.09Å; E69-N73 PolarHBondContact O-ND2 2.88Å; S70-N73 CarbonylContact O-C 3.56Å; F71-N73 VanDerWaalsContact C-N 3.29Å; F71-N73 PolarHBondContact O-N 2.9Å; N73-F75 PolarHBondContact O-N 2.89Å
74W92.7Very high91.1Very high25 Ų2562.8 Ų62.810%0.09533%0.327CS..  trans-71.3115.1-172.2-177.128.9000112.5R58 A59 Q62 S70 F71 D76 V87R58-W74 HydrophobicContact CG-CH2 4.49Å; A59-W74 HydrophobicContact CB-CZ3 4.08Å; Q62-W74 HydrophobicContact CB-CE3 4.42Å; Q62-W74 HydrophobicContact CB-CH2 4.43Å; Q62-W74 HydrophobicContact CB-CZ3 4.28Å; Q62-W74 HydrophobicContact CG-CD2 3.82Å; Q62-W74 HydrophobicContact CG-CE3 3.92Å; Q62-W74 HydrophobicContact CG-CG 4.33Å; Q62-W74 HydrophobicContact CG-CH2 4.41Å; Q62-W74 HydrophobicContact CG-CZ2 4.29Å; Q62-W74 HydrophobicContact CG-CZ3 4.22Å; S70-W74 WeakPolarHBondContact O-CA 3.49Å; S70-W74 WeakPolarHBondContact O-CB 3.3Å; S70-W74 PolarHBondContact O-N 3.43Å; S70-W74 VanDerWaalsContact O-N 3.08Å; F71-W74 HydrophobicContact CD2-CE3 4.2Å; F71-W74 HydrophobicContact CE2-CE3 4.44Å; F71-W74 WeakPolarHBondContact O-CB 3.42Å; F71-W74 PolarHBondContact O-N 3.34Å; F71-W74 VanDerWaalsContact O-N 3.11Å; W74-D76 HydrophobicContact CZ2-CB 3.78Å; W74-V87 HydrophobicContact CD2-CB 3.95Å; W74-V87 HydrophobicContact CD2-CG1 4.37Å; W74-V87 HydrophobicContact CD2-CG2 4.07Å; W74-V87 HydrophobicContact CE3-CB 3.48Å; W74-V87 VanDerWaalsContact CE3-CB 3.48Å; W74-V87 HydrophobicContact CE3-CG1 3.42Å; W74-V87 VanDerWaalsContact CE3-CG1 3.42Å; W74-V87 HydrophobicContact CE3-CG2 3.77Å; W74-V87 HydrophobicContact CG-CB 4.42Å; W74-V87 HydrophobicContact CH2-CG2 4.24Å; W74-V87 HydrophobicContact CZ3-CB 3.95Å; W74-V87 HydrophobicContact CZ3-CG1 3.61Å; W74-V87 HydrophobicContact CZ3-CG2 3.86Å; W74-V87 PolarHBondContact O-N 3.36Å
75F93.3Very high91.2Very high112 Ų11260.8 Ų60.849%0.49131%0.314SS..EExtended strand (participates in β ladder)trans-97.7119.4161-179.5-108.1000109.4N73 I86N73-F75 PolarHBondContact O-N 2.89Å; F75-I86 HydrophobicContact CD2-CG1 3.81Å; F75-I86 HydrophobicContact CE2-CG1 4.3Å
76D92.4Very high91.4Very high5 Ų560.3 Ų60.33%0.02731%0.314CS..EExtended strand (participates in β ladder)trans-94.7106.9175.6-174.213.2000110.1R58 W74 T78 A79 G84 R85 V87R58-D76 IonicContact CZ-OD1 2.73Å; R58-D76 IonicContact CZ-OD2 2.77Å; R58-D76 VanDerWaalsContact CZ-OD2 3.32Å; R58-D76 IonicContact NH1-OD1 3.41Å; R58-D76 IonicContact NH1-OD2 3.65Å; R58-D76 PolarHBondContact NH1-OD2 3.14Å; R58-D76 VanDerWaalsContact NH2-CG 3.33Å; R58-D76 IonicContact NH2-OD1 3.79Å; R58-D76 PolarHBondContact NH2-OD1 3.37Å; R58-D76 IonicContact NH2-OD2 2.73Å; R58-D76 PolarHBondContact NH2-OD2 2.94Å; R58-D76 VanDerWaalsContact NH2-OD2 3.08Å; W74-D76 HydrophobicContact CZ2-CB 3.78Å; D76-T78 VanDerWaalsContact C-N 3.29Å; D76-T78 PolarHBondContact OD1-N 3.39Å; D76-T78 PolarHBondContact OD1-OG1 3.37Å; D76-A79 WeakPolarHBondContact OD2-CB 3.4Å; D76-G84 WeakPolarHBondContact O-CA 3.4Å; D76-R85 PolarHBondContact N-O 2.9Å; D76-R85 PolarHBondContact O-N 3.1Å; D76-V87 HydrophobicContact CB-CG2 3.81Å
77S92.1Very high91.6Very high77 Ų7755.9 Ų55.954%0.53829%0.291SS..SBendtrans-81.3-6.4175.453.50000113.7
78T91.3Very high91.6Very high39 Ų3953.8 Ų53.824%0.23928%0.277CS..SBendtrans-95-9.4-179.767.60000113.6R58 D76 T582 T583R58-T78 PolarHBondContact NH2-OG1 3.28Å; D76-T78 VanDerWaalsContact C-N 3.29Å; D76-T78 PolarHBondContact OD1-N 3.39Å; D76-T78 PolarHBondContact OD1-OG1 3.37Å; T78-T582 CarbonylContact O-C 3.56Å; T78-T582 WeakPolarHBondContact O-CA 3.39Å; T78-T583 PolarHBondContact O-N 2.96Å
79A92.4Very high91.7Very high1 Ų149.8 Ų49.81%0.00827%0.267CS..SBendtrans-111149171.800000110.2D76 Y81 G84D76-A79 WeakPolarHBondContact OD2-CB 3.4Å; A79-Y81 PolarHBondContact O-N 2.95Å; A79-G84 CarbonylContact O-C 3.34Å; A79-G84 VanDerWaalsContact O-CA 3.26Å; A79-G84 WeakPolarHBondContact O-CA 3.4Å
80W94.4Very high91.8Very high0 Ų045 Ų450%025%0.247CC..SBendtrans5841.3-178.8-69.990.7000114.4L83 G84 T583 L584 V585 D586 N588 W590 N591 H594 I595W80-L83 HydrophobicContact CB-CB 4.48Å; W80-L83 HydrophobicContact CE3-CD1 4.41Å; W80-L83 WeakPolarHBondContact O-CA 3.25Å; W80-L83 VanDerWaalsContact O-CB 3.31Å; W80-L83 WeakPolarHBondContact O-CB 3.32Å; W80-L83 PolarHBondContact O-N 3.48Å; W80-G84 PolarHBondContact O-N 3.14Å; W80-T583 PolarHBondContact N-O 3.39Å; W80-T583 VanDerWaalsContact N-O 3.1Å; W80-L584 WeakPolarHBondContact CA-O 3.38Å; W80-V585 HydrophobicContact CZ3-CG1 4.25Å; W80-D586 HydrophobicContact CZ2-CB 4.02Å; W80-D586 WeakPolarHBondContact CZ2-O 3.4Å; W80-N588 WeakPolarHBondContact CZ2-O 3.44Å; W80-W590 HydrophobicContact CB-CZ2 4.34Å; W80-W590 AromaticContact CD1-NE1 3.29Å; W80-W590 VanDerWaalsContact CD1-NE1 3.29Å; W80-W590 AromaticContact CD2-CE2 3.87Å; W80-W590 HydrophobicContact CD2-CZ2 4.18Å; W80-W590 AromaticContact CD2-NE1 3.22Å; W80-W590 AromaticContact CE2-CD1 3.47Å; W80-W590 VanDerWaalsContact CE2-CD1 3.47Å; W80-W590 AromaticContact CE2-NE1 3.15Å; W80-W590 HydrophobicContact CE3-CZ2 4.35Å; W80-W590 AromaticContact CE3-NE1 3.96Å; W80-W590 HydrophobicContact CG-CZ2 4.16Å; W80-W590 AromaticContact CG-NE1 3.35Å; W80-W590 VanDerWaalsContact CG-NE1 3.35Å; W80-W590 AromaticContact CZ2-CD1 3.79Å; W80-W590 AromaticContact CZ2-NE1 3.87Å; W80-W590 AromaticContact NE1-CD1 3.44Å; W80-W590 AromaticContact NE1-NE1 3.1Å; W80-W590 VanDerWaalsContact NE1-NE1 3.1Å; W80-N591 HydrophobicContact CE3-CB 4.35Å; W80-N591 HydrophobicContact CH2-CB 4.39Å; W80-N591 HydrophobicContact CZ3-CB 3.86Å; W80-H594 AromaticContact CE3-CD2 3.71Å; W80-H594 HydrophobicContact CZ3-CB 4.12Å; W80-H594 AromaticContact CZ3-CD2 3.81Å; W80-I595 HydrophobicContact CH2-CD1 3.87Å; W80-I595 HydrophobicContact CH2-CG1 3.76Å; W80-I595 HydrophobicContact CZ3-CG1 4.24Å
81Y93.4Very high92Very high55 Ų5543.3 Ų43.322%0.21624%0.235CC..THydrogen-bonded Turntrans-60.6132.9174.2-173.6-96.8000111.1A79 R564 T582 T583 H594 L616 D617A79-Y81 PolarHBondContact O-N 2.95Å; Y81-R564 HydrophobicContact CD1-CG 3.94Å; Y81-R564 HydrophobicContact CE1-CG 4.06Å; Y81-R564 HydrophobicContact CG-CG 4.24Å; Y81-T582 HydrophobicContact CD2-CG2 4.13Å; Y81-T582 HydrophobicContact CG-CG2 3.98Å; Y81-T583 PolarHBondContact N-O 2.74Å; Y81-H594 PolarHBondContact O-CE1 3.16Å; Y81-H594 PolarHBondContact O-NE2 3.05Å; Y81-L616 WeakPolarHBondContact CE1-O 3.45Å; Y81-D617 HydrophobicContact CE1-CB 4.05Å; Y81-D617 PolarHBondContact OH-OD2 2.97Å
82P91.6Very high92.2Very high80 Ų8045.2 Ų45.252%0.51924%0.243SC..THydrogen-bonded Turncis-95.67.5838.6-36.3000115.7
83L92.9Very high92.3Very high79 Ų7940.7 Ų40.741%0.41423%0.227SC..THydrogen-bonded Turntrans-76.4-41.2-175.7-58.4155.8000113.2W80 W590 N591W80-L83 HydrophobicContact CB-CB 4.48Å; W80-L83 HydrophobicContact CE3-CD1 4.41Å; W80-L83 WeakPolarHBondContact O-CA 3.25Å; W80-L83 VanDerWaalsContact O-CB 3.31Å; W80-L83 WeakPolarHBondContact O-CB 3.32Å; W80-L83 PolarHBondContact O-N 3.48Å; L83-W590 HydrophobicContact CB-CH2 4.44Å; L83-W590 HydrophobicContact CB-CZ2 4.39Å; L83-W590 HydrophobicContact CD1-CH2 3.97Å; L83-W590 HydrophobicContact CD1-CZ2 4.06Å; L83-N591 WeakPolarHBondContact CD1-ND2 3.29Å
84G92.4Very high92.4Very high10 Ų1035.6 Ų35.610%0.10320%0.2CC..  trans75168.5-166.700000113.5D76 A79 W80D76-G84 WeakPolarHBondContact O-CA 3.4Å; A79-G84 CarbonylContact O-C 3.34Å; A79-G84 VanDerWaalsContact O-CA 3.26Å; A79-G84 WeakPolarHBondContact O-CA 3.4Å; W80-G84 PolarHBondContact O-N 3.14Å
85R93.7Very high92.4Very high8 Ų834.5 Ų34.53%0.0320%0.196CC..EExtended strand (participates in β ladder)trans-127.6122.4178.1-177.2177.5176-177.9-4.2111.8F55 D76 V87 T90 Y573 D586 N588F55-R85 VanDerWaalsContact CE2-NH1 3.35Å; F55-R85 VanDerWaalsContact CZ-NH2 3.32Å; D76-R85 PolarHBondContact N-O 2.9Å; D76-R85 PolarHBondContact O-N 3.1Å; R85-V87 HydrophobicContact CG-CG2 4.13Å; R85-V87 PolarHBondContact O-N 2.94Å; R85-T90 PolarHBondContact NE-OG1 3.41Å; R85-T90 PolarHBondContact NH2-O 3.44Å; R85-Y573 PolarHBondContact NH1-OH 3.11Å; R85-D586 IonicContact NH1-OD2 3.51Å; R85-N588 PolarHBondContact NH2-ND2 3.36Å
86I93.3Very high92.5Very high108 Ų10829.1 Ų29.155%0.55417%0.173SC*.EExtended strand (participates in β ladder)trans-75.193.2168.9-55168.4000107.9F75 G89 T90F75-I86 HydrophobicContact CD2-CG1 3.81Å; F75-I86 HydrophobicContact CE2-CG1 4.3Å; I86-G89 PolarHBondContact O-N 2.98Å; I86-T90 WeakPolarHBondContact O-CB 3.44Å; I86-T90 WeakPolarHBondContact O-CG2 3.36Å; I86-T90 PolarHBondContact O-N 2.96Å; I86-T90 VanDerWaalsContact O-N 3.17Å; I86-T90 PolarHBondContact O-OG1 2.83Å
87V92Very high92.5Very high0 Ų032.1 Ų32.10%019%0.188CC..THydrogen-bonded Turntrans-69.3-48.9-170.6173.20000111.9F55 F71 W74 D76 R85 G89 T90 V91F55-V87 HydrophobicContact CE2-CG1 4.29Å; F55-V87 HydrophobicContact CE2-CG2 4.25Å; F55-V87 HydrophobicContact CZ-CG1 3.8Å; F55-V87 HydrophobicContact CZ-CG2 4.42Å; F71-V87 HydrophobicContact CE2-CG1 4.4Å; W74-V87 HydrophobicContact CD2-CB 3.95Å; W74-V87 HydrophobicContact CD2-CG1 4.37Å; W74-V87 HydrophobicContact CD2-CG2 4.07Å; W74-V87 HydrophobicContact CE3-CB 3.48Å; W74-V87 VanDerWaalsContact CE3-CB 3.48Å; W74-V87 HydrophobicContact CE3-CG1 3.42Å; W74-V87 VanDerWaalsContact CE3-CG1 3.42Å; W74-V87 HydrophobicContact CE3-CG2 3.77Å; W74-V87 HydrophobicContact CG-CB 4.42Å; W74-V87 HydrophobicContact CH2-CG2 4.24Å; W74-V87 HydrophobicContact CZ3-CB 3.95Å; W74-V87 HydrophobicContact CZ3-CG1 3.61Å; W74-V87 HydrophobicContact CZ3-CG2 3.86Å; W74-V87 PolarHBondContact O-N 3.36Å; D76-V87 HydrophobicContact CB-CG2 3.81Å; R85-V87 HydrophobicContact CG-CG2 4.13Å; R85-V87 PolarHBondContact O-N 2.94Å; V87-G89 PolarHBondContact O-N 3.19Å; V87-G89 VanDerWaalsContact O-N 3.1Å; V87-T90 CarbonylContact O-C 3.35Å; V87-T90 PolarHBondContact O-N 2.88Å; V87-V91 HydrophobicContact CG1-CB 4.49Å; V87-V91 HydrophobicContact CG1-CG1 4.27Å; V87-V91 VanDerWaalsContact O-CG1 3.26Å; V87-V91 WeakPolarHBondContact O-CG1 3.39Å; V87-V91 PolarHBondContact O-N 3.01Å
88G88.9Confident92.7Very high8 Ų829.1 Ų29.18%0.08217%0.167CC..THydrogen-bonded Turntrans-60.2-24-179.600000114.3
89G90.6Very high92.8Very high26 Ų2627.3 Ų27.327%0.26816%0.155SC..THydrogen-bonded Turntrans-90.9-10172.400000115.5I86 V87 F259I86-G89 PolarHBondContact O-N 2.98Å; V87-G89 PolarHBondContact O-N 3.19Å; V87-G89 VanDerWaalsContact O-N 3.1Å; G89-F259 WeakPolarHBondContact O-CA 3.35Å; G89-F259 WeakPolarHBondContact O-CD2 3.39Å
90T91.4Very high92.8Very high42 Ų4227.8 Ų27.826%0.25816%0.16SC..SBendtrans-128.532.8-174.163.90000113.3R85 I86 V87R85-T90 PolarHBondContact NE-OG1 3.41Å; R85-T90 PolarHBondContact NH2-O 3.44Å; I86-T90 WeakPolarHBondContact O-CB 3.44Å; I86-T90 WeakPolarHBondContact O-CG2 3.36Å; I86-T90 PolarHBondContact O-N 2.96Å; I86-T90 VanDerWaalsContact O-N 3.17Å; I86-T90 PolarHBondContact O-OG1 2.83Å; V87-T90 CarbonylContact O-C 3.35Å; V87-T90 PolarHBondContact O-N 2.88Å
91V92.3Very high92.7Very high10 Ų1033.7 Ų33.76%0.06119%0.186CC..SBendtrans-144.8154.5177.9760000111.8F55 F71 V87 P93 M96F55-V91 HydrophobicContact CE1-CB 4.42Å; F55-V91 HydrophobicContact CE1-CG2 3.76Å; F55-V91 HydrophobicContact CZ-CG2 4.37Å; F71-V91 HydrophobicContact CZ-CG1 4.1Å; V87-V91 HydrophobicContact CG1-CB 4.49Å; V87-V91 HydrophobicContact CG1-CG1 4.27Å; V87-V91 VanDerWaalsContact O-CG1 3.26Å; V87-V91 WeakPolarHBondContact O-CG1 3.39Å; V87-V91 PolarHBondContact O-N 3.01Å; V91-P93 WeakPolarHBondContact O-CD 3.43Å; V91-M96 HydrophobicContact CG2-CE 3.61Å; V91-M96 HydrophobicContact CG2-SD 4.14Å
92Y93.5Very high92.7Very high42 Ų4233.2 Ų33.217%0.16519%0.187CC..  trans-87.6105.8165-71.7-69.9000108.6G94 V209 S210 G213 Y215 F259 V260Y92-G94 VanDerWaalsContact C-N 3.3Å; Y92-G94 PolarHBondContact O-N 3.06Å; Y92-V209 WeakPolarHBondContact CD1-O 3.46Å; Y92-V209 WeakPolarHBondContact CE1-O 3.24Å; Y92-S210 CarbonylContact C-O 3.57Å; Y92-S210 WeakPolarHBondContact CA-O 3.24Å; Y92-S210 WeakPolarHBondContact CB-O 3.39Å; Y92-G213 VanDerWaalsContact CZ-CA 3.46Å; Y92-G213 WeakPolarHBondContact OH-CA 3.39Å; Y92-Y215 HydrophobicContact CE1-CD1 4.36Å; Y92-Y215 HydrophobicContact CE1-CE1 4.08Å; Y92-F259 HydrophobicContact CD1-CD1 4.38Å; Y92-F259 HydrophobicContact CD2-CD1 4.24Å; Y92-F259 HydrophobicContact CD2-CE1 4.3Å; Y92-F259 AromaticContact CE1-CD1 3.9Å; Y92-F259 HydrophobicContact CE1-CD1 3.9Å; Y92-F259 HydrophobicContact CE1-CE1 4.43Å; Y92-F259 AromaticContact CE2-CD1 3.74Å; Y92-F259 HydrophobicContact CE2-CD1 3.74Å; Y92-F259 AromaticContact CE2-CE1 3.54Å; Y92-F259 HydrophobicContact CE2-CE1 3.54Å; Y92-F259 AromaticContact CZ-CD1 3.54Å; Y92-F259 AromaticContact CZ-CE1 3.61Å; Y92-V260 HydrophobicContact CE1-CG2 4.14Å
93P93.1Very high92.8Very high18 Ų1830.7 Ų30.712%0.11717%0.168CC..THydrogen-bonded Turntrans-79.2-8-165.933-38.1000114.4F71 V91 L95 M96 I97 S210F71-P93 HydrophobicContact CE1-CB 3.99Å; F71-P93 HydrophobicContact CZ-CB 4.41Å; V91-P93 WeakPolarHBondContact O-CD 3.43Å; P93-L95 VanDerWaalsContact C-N 3.32Å; P93-L95 PolarHBondContact O-N 3.35Å; P93-M96 PolarHBondContact O-N 3.29Å; P93-I97 HydrophobicContact CB-CD1 3.86Å; P93-I97 HydrophobicContact CB-CG1 4.41Å; P93-I97 HydrophobicContact CG-CD1 4.19Å; P93-I97 WeakPolarHBondContact O-CB 3.37Å; P93-I97 VanDerWaalsContact O-CG1 3.26Å; P93-I97 WeakPolarHBondContact O-CG1 3.49Å; P93-I97 PolarHBondContact O-N 2.98Å; P93-S210 WeakPolarHBondContact CD-O 3.38Å
94G92.5Very high92.7Very high2 Ų233.8 Ų33.82%0.02118%0.176CC..Hα-helixtrans-62.5-33.6-171.500000114Y92 T98 S210Y92-G94 VanDerWaalsContact C-N 3.3Å; Y92-G94 PolarHBondContact O-N 3.06Å; G94-T98 VanDerWaalsContact O-CB 3.25Å; G94-T98 WeakPolarHBondContact O-CB 3.28Å; G94-T98 PolarHBondContact O-N 2.74Å; G94-T98 PolarHBondContact O-OG1 2.98Å; G94-S210 WeakPolarHBondContact CA-O 3.48Å; G94-S210 PolarHBondContact N-O 3.12Å
95L93.9Very high92.7Very high2 Ų236.2 Ų36.21%0.0119%0.185CC..Hα-helixtrans-64.4-52.4174.3178.962.8000111.1N56 P93 T98 S99 L122 Y169 I174N56-L95 HydrophobicContact CB-CD2 3.83Å; P93-L95 VanDerWaalsContact C-N 3.32Å; P93-L95 PolarHBondContact O-N 3.35Å; L95-T98 PolarHBondContact O-N 3.23Å; L95-S99 PolarHBondContact O-N 3.16Å; L95-S99 VanDerWaalsContact O-N 3.11Å; L95-S99 PolarHBondContact O-OG 3.46Å; L95-L122 HydrophobicContact CD1-CD2 3.9Å; L95-Y169 HydrophobicContact CD1-CD2 4.18Å; L95-Y169 HydrophobicContact CD1-CE2 3.62Å; L95-Y169 HydrophobicContact CD2-CE1 4.19Å; L95-Y169 HydrophobicContact CD2-CE2 4.3Å; L95-Y169 HydrophobicContact CG-CE1 4.34Å; L95-Y169 HydrophobicContact CG-CE2 3.9Å; L95-I174 HydrophobicContact CD1-CD1 3.59Å; L95-I174 HydrophobicContact CD1-CG1 4.18Å
96M94.1Very high92.6Very high0 Ų037.3 Ų37.30%019%0.194CC..Hα-helixtrans-61.9-49.2-179.4-54.482.7-16700111.2N56 A59 T60 M63 F71 V91 P93 T98 S99 G100N56-M96 HydrophobicContact CB-CE 4.08Å; N56-M96 WeakPolarHBondContact OD1-CE 3.31Å; A59-M96 HydrophobicContact CB-CE 4.23Å; A59-M96 HydrophobicContact CB-CG 4.05Å; T60-M96 WeakPolarHBondContact OG1-CA 3.5Å; T60-M96 WeakPolarHBondContact OG1-CB 3.27Å; T60-M96 WeakPolarHBondContact OG1-CG 3.34Å; M63-M96 HydrophobicContact CE-CB 4.43Å; M63-M96 WeakPolarHBondContact CE-O 3.39Å; M63-M96 HydrophobicContact SD-CB 4.24Å; F71-M96 HydrophobicContact CZ-CB 4.27Å; F71-M96 HydrophobicContact CZ-CG 4.18Å; F71-M96 HydrophobicContact CZ-SD 4.37Å; V91-M96 HydrophobicContact CG2-CE 3.61Å; V91-M96 HydrophobicContact CG2-SD 4.14Å; P93-M96 PolarHBondContact O-N 3.29Å; M96-T98 VanDerWaalsContact C-N 3.31Å; M96-T98 PolarHBondContact O-N 2.89Å; M96-S99 PolarHBondContact O-N 3.17Å; M96-S99 PolarHBondContact O-OG 3.05Å; M96-G100 PolarHBondContact O-N 3.26Å
97I93.7Very high92.4Very high67 Ų6736.6 Ų36.634%0.34419%0.188SC..Hα-helixtrans-56.5-45177.1-67.7167000110.7M63 F68 P93 G100 F101M63-I97 HydrophobicContact SD-CG1 4.28Å; F68-I97 HydrophobicContact CD2-CG1 4.46Å; F68-I97 HydrophobicContact CE2-CD1 3.82Å; F68-I97 HydrophobicContact CE2-CG1 3.86Å; F68-I97 HydrophobicContact CZ-CD1 4.36Å; P93-I97 HydrophobicContact CB-CD1 3.86Å; P93-I97 HydrophobicContact CB-CG1 4.41Å; P93-I97 HydrophobicContact CG-CD1 4.19Å; P93-I97 WeakPolarHBondContact O-CB 3.37Å; P93-I97 VanDerWaalsContact O-CG1 3.26Å; P93-I97 WeakPolarHBondContact O-CG1 3.49Å; P93-I97 PolarHBondContact O-N 2.98Å; I97-G100 PolarHBondContact O-N 3.49Å; I97-F101 WeakPolarHBondContact O-CB 3.42Å; I97-F101 PolarHBondContact O-N 3.31Å
98T94.5Very high92.4Very high15 Ų1542 Ų429%0.09222%0.216CC..Hα-helixtrans-61.6-47.9-180-60.70000111.4G94 L95 M96 F101 I102 L122 F126 I174 Y207G94-T98 VanDerWaalsContact O-CB 3.25Å; G94-T98 WeakPolarHBondContact O-CB 3.28Å; G94-T98 PolarHBondContact O-N 2.74Å; G94-T98 PolarHBondContact O-OG1 2.98Å; L95-T98 PolarHBondContact O-N 3.23Å; M96-T98 VanDerWaalsContact C-N 3.31Å; M96-T98 PolarHBondContact O-N 2.89Å; T98-F101 PolarHBondContact O-N 2.86Å; T98-I102 HydrophobicContact CG2-CD1 4.03Å; T98-I102 WeakPolarHBondContact O-CG1 3.29Å; T98-I102 PolarHBondContact O-N 3.2Å; T98-I102 VanDerWaalsContact O-N 3.07Å; T98-L122 HydrophobicContact CG2-CD1 4.48Å; T98-F126 HydrophobicContact CG2-CE2 3.77Å; T98-F126 HydrophobicContact CG2-CZ 3.52Å; T98-I174 HydrophobicContact CG2-CD1 3.87Å; T98-Y207 PolarHBondContact OG1-OH 2.78Å
99S93.8Very high92.5Very high0 Ų047.2 Ų47.20%024%0.241CC..Hα-helixtrans-66.9-38.917740.70000113.4T60 L95 M96 I102 H103 Y169T60-S99 VanDerWaalsContact CG2-OG 3.31Å; T60-S99 WeakPolarHBondContact CG2-OG 3.36Å; L95-S99 PolarHBondContact O-N 3.16Å; L95-S99 VanDerWaalsContact O-N 3.11Å; L95-S99 PolarHBondContact O-OG 3.46Å; M96-S99 PolarHBondContact O-N 3.17Å; M96-S99 PolarHBondContact O-OG 3.05Å; S99-I102 PolarHBondContact O-N 3.37Å; S99-H103 WeakPolarHBondContact O-CB 3.42Å; S99-H103 PolarHBondContact O-N 3.06Å; S99-Y169 PolarHBondContact OG-OH 2.99Å
100G92.9Very high92.5Very high11 Ų1150.9 Ų50.911%0.11326%0.263CS..Hα-helixtrans-66.1-38.3177.400000112.3M96 I97 H103 Y104M96-G100 PolarHBondContact O-N 3.26Å; I97-G100 PolarHBondContact O-N 3.49Å; G100-H103 PolarHBondContact O-N 3.04Å; G100-Y104 VanDerWaalsContact O-CB 3.31Å; G100-Y104 WeakPolarHBondContact O-CB 3.41Å; G100-Y104 PolarHBondContact O-N 3.4Å
101F92.9Very high92.4Very high124 Ų12455.2 Ų55.254%0.54428%0.278SS..Hα-helixtrans-63.7-44.1172.4179.1-100.4000112I97 T98 Y104 M105I97-F101 WeakPolarHBondContact O-CB 3.42Å; I97-F101 PolarHBondContact O-N 3.31Å; T98-F101 PolarHBondContact O-N 2.86Å; F101-Y104 PolarHBondContact O-N 3Å; F101-M105 HydrophobicContact CD1-CG 4.22Å; F101-M105 HydrophobicContact CE1-CG 3.78Å; F101-M105 HydrophobicContact CE1-SD 4.49Å; F101-M105 HydrophobicContact CE2-CE 4.16Å; F101-M105 HydrophobicContact CE2-CG 4.17Å; F101-M105 HydrophobicContact CE2-SD 4.36Å; F101-M105 HydrophobicContact CZ-CE 4.33Å; F101-M105 HydrophobicContact CZ-CG 3.75Å; F101-M105 HydrophobicContact CZ-SD 3.94Å; F101-M105 VanDerWaalsContact O-CG 3.29Å; F101-M105 WeakPolarHBondContact O-CG 3.4Å; F101-M105 PolarHBondContact O-N 3.42Å
102I93Very high92.1Very high46 Ų4660 Ų6024%0.23631%0.31CS..Hα-helixtrans-63.4-44.9176.1-69.1164.3000110.9T98 S99 Y104 M105 C106 V118 L122 F126T98-I102 HydrophobicContact CG2-CD1 4.03Å; T98-I102 WeakPolarHBondContact O-CG1 3.29Å; T98-I102 PolarHBondContact O-N 3.2Å; T98-I102 VanDerWaalsContact O-N 3.07Å; S99-I102 PolarHBondContact O-N 3.37Å; I102-Y104 PolarHBondContact O-N 3.49Å; I102-M105 PolarHBondContact O-N 3.01Å; I102-C106 PolarHBondContact O-N 3.12Å; I102-C106 PolarHBondContact O-SG 3.48Å; I102-C106 VanDerWaalsContact O-SG 3.36Å; I102-V118 HydrophobicContact CB-CG1 4.15Å; I102-V118 HydrophobicContact CG2-CG1 3.78Å; I102-L122 HydrophobicContact CD1-CD1 3.39Å; I102-F126 HydrophobicContact CD1-CE2 4.32Å
103H93.2Very high91.9Very high26 Ų2660.5 Ų60.512%0.1232%0.317CS..Hα-helixtrans-59.2-44.6175.3-178.2-96.5000112S99 G100 C106 H107 V113 I115 V118S99-H103 WeakPolarHBondContact O-CB 3.42Å; S99-H103 PolarHBondContact O-N 3.06Å; G100-H103 PolarHBondContact O-N 3.04Å; H103-C106 PolarHBondContact O-N 3.25Å; H103-H107 AromaticContact CE1-CD2 3.52Å; H103-H107 AromaticContact CE1-NE2 3.54Å; H103-H107 AromaticContact ND1-CD2 3.81Å; H103-H107 AromaticContact NE2-CD2 3.79Å; H103-H107 AromaticContact NE2-NE2 3.61Å; H103-H107 PolarHBondContact O-CD2 3.1Å; H103-H107 PolarHBondContact O-N 3.29Å; H103-V113 PolarHBondContact CD2-O 3.41Å; H103-V113 VanDerWaalsContact CD2-O 3.23Å; H103-V113 PolarHBondContact NE2-O 3.42Å; H103-I115 HydrophobicContact CB-CD1 3.78Å; H103-V118 HydrophobicContact CB-CG2 4.38Å
104Y91.6Very high91.8Very high145 Ų14564.7 Ų64.757%0.56934%0.335SS*.Hα-helixtrans-62.3-41.5174.7177.9-105.1000112.4G100 F101 I102 H107 L108G100-Y104 VanDerWaalsContact O-CB 3.31Å; G100-Y104 WeakPolarHBondContact O-CB 3.41Å; G100-Y104 PolarHBondContact O-N 3.4Å; F101-Y104 PolarHBondContact O-N 3Å; I102-Y104 PolarHBondContact O-N 3.49Å; Y104-H107 PolarHBondContact O-N 3.18Å; Y104-L108 WeakPolarHBondContact O-CB 3.37Å; Y104-L108 PolarHBondContact O-N 3.34Å
105M91.8Very high91.8Very high60 Ų6065 Ų6530%0.29634%0.336SS..Hα-helixtrans-64.8-39.7173.9-70.7-70.8101.800112.5F101 I102 L108 L109F101-M105 HydrophobicContact CD1-CG 4.22Å; F101-M105 HydrophobicContact CE1-CG 3.78Å; F101-M105 HydrophobicContact CE1-SD 4.49Å; F101-M105 HydrophobicContact CE2-CE 4.16Å; F101-M105 HydrophobicContact CE2-CG 4.17Å; F101-M105 HydrophobicContact CE2-SD 4.36Å; F101-M105 HydrophobicContact CZ-CE 4.33Å; F101-M105 HydrophobicContact CZ-CG 3.75Å; F101-M105 HydrophobicContact CZ-SD 3.94Å; F101-M105 VanDerWaalsContact O-CG 3.29Å; F101-M105 WeakPolarHBondContact O-CG 3.4Å; F101-M105 PolarHBondContact O-N 3.42Å; I102-M105 PolarHBondContact O-N 3.01Å; M105-L108 HydrophobicContact CE-CD2 3.61Å; M105-L108 PolarHBondContact O-N 3.16Å; M105-L108 HydrophobicContact SD-CD2 4.46Å; M105-L109 WeakPolarHBondContact O-CB 3.22Å; M105-L109 VanDerWaalsContact O-CG 3.3Å; M105-L109 WeakPolarHBondContact O-CG 3.4Å; M105-L109 PolarHBondContact O-N 3.38Å
106C91.2Very high91.8Very high32 Ų3269.5 Ų69.522%0.21635%0.353CS..Hα-helixtrans-62.1-45.7173.5-70.40000111.7I102 H103 L109 S110 F111I102-C106 PolarHBondContact O-N 3.12Å; I102-C106 PolarHBondContact O-SG 3.48Å; I102-C106 VanDerWaalsContact O-SG 3.36Å; H103-C106 PolarHBondContact O-N 3.25Å; C106-L109 CarbonylContact O-C 3.45Å; C106-L109 PolarHBondContact O-N 2.83Å; C106-S110 PolarHBondContact O-N 3.05Å; C106-F111 CarbonylContact C-O 3.6Å; C106-F111 PolarHBondContact O-N 3.38Å
107H89.9Confident91.7Very high93 Ų9371.3 Ų71.343%0.43136%0.361SS..Hα-helixtrans-63.6-39.4175.3-91.2-88.2000113H103 Y104 L109 S110H103-H107 AromaticContact CE1-CD2 3.52Å; H103-H107 AromaticContact CE1-NE2 3.54Å; H103-H107 AromaticContact ND1-CD2 3.81Å; H103-H107 AromaticContact NE2-CD2 3.79Å; H103-H107 AromaticContact NE2-NE2 3.61Å; H103-H107 PolarHBondContact O-CD2 3.1Å; H103-H107 PolarHBondContact O-N 3.29Å; Y104-H107 PolarHBondContact O-N 3.18Å; H107-L109 VanDerWaalsContact C-N 3.26Å; H107-L109 PolarHBondContact O-N 2.91Å; H107-S110 PolarHBondContact O-N 2.87Å
108L91.7Very high91.7Very high112 Ų11268.8 Ų68.859%0.58635%0.349SS*.Hα-helixtrans-64.6-30.3175.4-176.364000112.5Y104 M105 S110Y104-L108 WeakPolarHBondContact O-CB 3.37Å; Y104-L108 PolarHBondContact O-N 3.34Å; M105-L108 HydrophobicContact CE-CD2 3.61Å; M105-L108 PolarHBondContact O-N 3.16Å; M105-L108 HydrophobicContact SD-CD2 4.46Å; L108-S110 VanDerWaalsContact C-N 3.25Å; L108-S110 PolarHBondContact O-N 3.18Å
109L91.9Very high91.7Very high118 Ų11868.1 Ų68.162%0.61835%0.345SS*.THydrogen-bonded Turntrans-85.711.7173-66.4170.9000113.3M105 C106 H107 F111M105-L109 WeakPolarHBondContact O-CB 3.22Å; M105-L109 VanDerWaalsContact O-CG 3.3Å; M105-L109 WeakPolarHBondContact O-CG 3.4Å; M105-L109 PolarHBondContact O-N 3.38Å; C106-L109 CarbonylContact O-C 3.45Å; C106-L109 PolarHBondContact O-N 2.83Å; H107-L109 VanDerWaalsContact C-N 3.26Å; H107-L109 PolarHBondContact O-N 2.91Å; L109-F111 HydrophobicContact CB-CD2 3.78Å; L109-F111 HydrophobicContact CB-CE2 4.18Å; L109-F111 WeakPolarHBondContact O-CD2 3.36Å; L109-F111 PolarHBondContact O-N 2.9Å
110S90Very high91.7Very high104 Ų10468.2 Ų68.273%0.72735%0.345SS*.THydrogen-bonded Turntrans59.826.1-178.5-59.20000115.1C106 H107 L108 P112C106-S110 PolarHBondContact O-N 3.05Å; H107-S110 PolarHBondContact O-N 2.87Å; L108-S110 VanDerWaalsContact C-N 3.25Å; L108-S110 PolarHBondContact O-N 3.18Å; S110-P112 VanDerWaalsContact O-CD 3.23Å; S110-P112 WeakPolarHBondContact O-CD 3.47Å
111F88.6Confident91.7Very high133 Ų13370.4 Ų70.458%0.58335%0.352SS*.  trans-103.795.1170.5-64.4-67.9000110.1C106 L109 V113C106-F111 CarbonylContact C-O 3.6Å; C106-F111 PolarHBondContact O-N 3.38Å; L109-F111 HydrophobicContact CB-CD2 3.78Å; L109-F111 HydrophobicContact CB-CE2 4.18Å; L109-F111 WeakPolarHBondContact O-CD2 3.36Å; L109-F111 PolarHBondContact O-N 2.9Å; F111-V113 VanDerWaalsContact C-N 3.29Å; F111-V113 HydrophobicContact CB-CG2 4.38Å; F111-V113 PolarHBondContact O-N 2.91Å
112P86.6Confident91.8Very high110 Ų11064.7 Ų64.771%0.71433%0.327SS*.  trans-74.978.9-179.131.5-36.2000111.3S110S110-P112 VanDerWaalsContact O-CD 3.23Å; S110-P112 WeakPolarHBondContact O-CD 3.47Å
113V89.5Confident91.8Very high53 Ų5362.8 Ų62.832%0.32132%0.318SS..  trans-90.9115.3177.5-178.70000109.5H103 F111 I115 E117 V118H103-V113 PolarHBondContact CD2-O 3.41Å; H103-V113 VanDerWaalsContact CD2-O 3.23Å; H103-V113 PolarHBondContact NE2-O 3.42Å; F111-V113 VanDerWaalsContact C-N 3.29Å; F111-V113 HydrophobicContact CB-CG2 4.38Å; F111-V113 PolarHBondContact O-N 2.91Å; V113-I115 PolarHBondContact O-N 3.22Å; V113-E117 HydrophobicContact CG1-CB 3.98Å; V113-V118 HydrophobicContact CB-CG2 4.43Å; V113-V118 HydrophobicContact CG1-CG2 3.9Å
114H91.6Very high91.9Very high105 Ų10561.6 Ų61.649%0.48631%0.313SS..  trans-56.8134178.5-179.5-97.5000112R116 E117H114-R116 WeakPolarHBondContact ND1-CB 3.4Å; H114-R116 PolarHBondContact ND1-N 3.45Å; H114-R116 PolarHBondContact O-N 3.31Å; H114-E117 PolarHBondContact O-N 3.21Å
115I92.1Very high92Very high9 Ų957.6 Ų57.65%0.04630%0.301CS..Hα-helixtrans-50.7-31.9-171.6-171.559.9000115.1Y57 T60 V64 H103 V113 E117 V118 C119Y57-I115 HydrophobicContact CE2-CG2 4.33Å; T60-I115 HydrophobicContact CG2-CD1 3.82Å; T60-I115 HydrophobicContact CG2-CG1 3.94Å; V64-I115 HydrophobicContact CG2-CD1 4Å; V64-I115 HydrophobicContact CG2-CG1 4.34Å; H103-I115 HydrophobicContact CB-CD1 3.78Å; V113-I115 PolarHBondContact O-N 3.22Å; I115-E117 PolarHBondContact O-N 3.35Å; I115-V118 HydrophobicContact CD1-CB 4.38Å; I115-V118 PolarHBondContact O-N 2.84Å; I115-C119 PolarHBondContact O-N 3.15Å; I115-C119 PolarHBondContact O-SG 3.04Å
116R93Very high92.2Very high97 Ų9755.3 Ų55.337%0.36629%0.289SS..Hα-helixtrans-56.1-45.5173.6-174-173.765.9-161.41112.5S46 Y57 H114 V118 C119 V120S46-R116 PolarHBondContact O-NE 3.13Å; Y57-R116 HydrophobicContact CE2-CB 3.97Å; Y57-R116 HydrophobicContact CE2-CG 4.39Å; H114-R116 WeakPolarHBondContact ND1-CB 3.4Å; H114-R116 PolarHBondContact ND1-N 3.45Å; H114-R116 PolarHBondContact O-N 3.31Å; R116-V118 VanDerWaalsContact C-N 3.34Å; R116-V118 PolarHBondContact O-N 3.47Å; R116-C119 WeakPolarHBondContact O-CB 3.29Å; R116-C119 PolarHBondContact O-N 2.98Å; R116-V120 HydrophobicContact CG-CG2 4.33Å; R116-V120 VanDerWaalsContact O-CG2 3.3Å; R116-V120 WeakPolarHBondContact O-CG2 3.41Å; R116-V120 PolarHBondContact O-N 2.94Å
117E93.1Very high92.3Very high38 Ų3853.8 Ų53.818%0.17828%0.279CS..Hα-helixtrans-68.3-37.6-177.8-50.1-50.8124.100110.7S46 V113 H114 I115 C119 V120 F121S46-E117 WeakPolarHBondContact CB-OE2 3.16Å; S46-E117 PolarHBondContact OG-OE1 3.21Å; S46-E117 PolarHBondContact OG-OE2 3.29Å; V113-E117 HydrophobicContact CG1-CB 3.98Å; H114-E117 PolarHBondContact O-N 3.21Å; I115-E117 PolarHBondContact O-N 3.35Å; E117-C119 VanDerWaalsContact C-N 3.3Å; E117-C119 PolarHBondContact O-N 3.19Å; E117-V120 PolarHBondContact O-N 3.45Å; E117-F121 HydrophobicContact CB-CD2 4.31Å; E117-F121 HydrophobicContact CB-CE2 4.32Å; E117-F121 WeakPolarHBondContact O-CD2 3.33Å; E117-F121 PolarHBondContact O-N 3.49Å
118V93.3Very high92.4Very high14 Ų1449.4 Ų49.49%0.08526%0.259CS..Hα-helixtrans-58.5-43.8173-176.70000110.6I102 H103 V113 I115 R116 L122I102-V118 HydrophobicContact CB-CG1 4.15Å; I102-V118 HydrophobicContact CG2-CG1 3.78Å; H103-V118 HydrophobicContact CB-CG2 4.38Å; V113-V118 HydrophobicContact CB-CG2 4.43Å; V113-V118 HydrophobicContact CG1-CG2 3.9Å; I115-V118 HydrophobicContact CD1-CB 4.38Å; I115-V118 PolarHBondContact O-N 2.84Å; R116-V118 VanDerWaalsContact C-N 3.34Å; R116-V118 PolarHBondContact O-N 3.47Å; V118-L122 WeakPolarHBondContact O-CB 3.36Å; V118-L122 PolarHBondContact O-N 3.44Å
119C94.2Very high92.6Very high1 Ų146.8 Ų46.81%0.00724%0.244CC..Hα-helixtrans-66.3-44.3176.6-61.10000112.3I48 Y57 I115 R116 E117 F121 L122 Y169I48-C119 HydrophobicContact CD1-CB 4.05Å; Y57-C119 HydrophobicContact CD2-CB 4.43Å; I115-C119 PolarHBondContact O-N 3.15Å; I115-C119 PolarHBondContact O-SG 3.04Å; R116-C119 WeakPolarHBondContact O-CB 3.29Å; R116-C119 PolarHBondContact O-N 2.98Å; E117-C119 VanDerWaalsContact C-N 3.3Å; E117-C119 PolarHBondContact O-N 3.19Å; C119-F121 PolarHBondContact O-N 2.98Å; C119-L122 PolarHBondContact O-N 3.27Å; C119-Y169 HydrophobicContact CB-CD1 3.97Å; C119-Y169 HydrophobicContact CB-CD2 3.66Å; C119-Y169 HydrophobicContact CB-CE1 4.18Å; C119-Y169 HydrophobicContact CB-CE2 3.89Å; C119-Y169 HydrophobicContact CB-CG 3.72Å; C119-Y169 VanDerWaalsContact O-CD2 3.3Å; C119-Y169 WeakPolarHBondContact O-CD2 3.37Å
120V93.4Very high92.8Very high1 Ų141.1 Ų41.11%0.00622%0.215CC..Hα-helixtrans-62.4-39.7-179.2166.10000112.5V41 I48 R116 E117 A166 G167V41-V120 HydrophobicContact CG2-CG1 3.97Å; I48-V120 HydrophobicContact CG1-CG2 3.84Å; R116-V120 HydrophobicContact CG-CG2 4.33Å; R116-V120 VanDerWaalsContact O-CG2 3.3Å; R116-V120 WeakPolarHBondContact O-CG2 3.41Å; R116-V120 PolarHBondContact O-N 2.94Å; E117-V120 PolarHBondContact O-N 3.45Å; V120-A166 WeakPolarHBondContact O-CA 3.4Å; V120-G167 PolarHBondContact O-N 3.46Å
121F94.3Very high93Very high58 Ų5836.3 Ų36.325%0.25418%0.181SC..Hα-helixtrans-94.9-1.6-176.8-63.2-62.9000114.9F34 L38 V41 E117 C119 P124 I125F34-F121 HydrophobicContact CZ-CD1 4.49Å; L38-F121 HydrophobicContact CD2-CD1 4.14Å; L38-F121 HydrophobicContact CD2-CE1 3.98Å; V41-F121 HydrophobicContact CG1-CE1 4.46Å; V41-F121 HydrophobicContact CG1-CZ 4.31Å; V41-F121 HydrophobicContact CG2-CE1 4.47Å; E117-F121 HydrophobicContact CB-CD2 4.31Å; E117-F121 HydrophobicContact CB-CE2 4.32Å; E117-F121 WeakPolarHBondContact O-CD2 3.33Å; E117-F121 PolarHBondContact O-N 3.49Å; C119-F121 PolarHBondContact O-N 2.98Å; F121-P124 WeakPolarHBondContact O-CD 3.41Å; F121-I125 WeakPolarHBondContact O-CG1 3.27Å; F121-I125 PolarHBondContact O-N 3.04Å
122L94Very high93.3Very high3 Ų331.7 Ų31.72%0.01616%0.163CC..Hα-helixtrans-62.8-48.4-175.8-167.963.3000113.4L95 T98 I102 V118 C119 I125 F126 Y169 I174L95-L122 HydrophobicContact CD1-CD2 3.9Å; T98-L122 HydrophobicContact CG2-CD1 4.48Å; I102-L122 HydrophobicContact CD1-CD1 3.39Å; V118-L122 WeakPolarHBondContact O-CB 3.36Å; V118-L122 PolarHBondContact O-N 3.44Å; C119-L122 PolarHBondContact O-N 3.27Å; L122-I125 PolarHBondContact O-N 3.38Å; L122-I125 VanDerWaalsContact O-N 3.13Å; L122-F126 HydrophobicContact CD1-CD2 3.73Å; L122-F126 HydrophobicContact CD1-CE2 3.62Å; L122-F126 HydrophobicContact CG-CD2 4Å; L122-F126 HydrophobicContact CG-CE2 4.25Å; L122-F126 PolarHBondContact O-N 2.86Å; L122-Y169 HydrophobicContact CD2-CD2 4.29Å; L122-Y169 HydrophobicContact CD2-CE2 3.7Å; L122-I174 HydrophobicContact CD2-CD1 4.08Å
123A93.6Very high93.8Very high7 Ų726.6 Ų26.66%0.05813%0.131CC..Hα-helixtrans-64.1-41.5-17800000113.3I125 F126 S127A123-I125 VanDerWaalsContact C-N 3.34Å; A123-I125 PolarHBondContact O-N 2.85Å; A123-F126 PolarHBondContact O-N 3.47Å; A123-S127 WeakPolarHBondContact O-CB 3.21Å; A123-S127 PolarHBondContact O-N 2.88Å
124P94.2Very high94.1Very high0 Ų024 Ų240%012%0.115CC..Hα-helixtrans-54.3-40.7166.7-29.634000115.1F34 R37 F121 G128 A166F34-P124 HydrophobicContact CD2-CB 3.43Å; F34-P124 VanDerWaalsContact CD2-CB 3.43Å; F34-P124 HydrophobicContact CE2-CB 3.64Å; F34-P124 HydrophobicContact CG-CB 4.26Å; R37-P124 HydrophobicContact CB-CB 4.35Å; R37-P124 HydrophobicContact CB-CG 3.99Å; F121-P124 WeakPolarHBondContact O-CD 3.41Å; P124-G128 PolarHBondContact O-N 3.4Å; P124-A166 HydrophobicContact CG-CB 3.81Å
125I94.5Very high94.3Very high62 Ų6219.5 Ų19.532%0.3189%0.094SC..Hα-helixtrans-67.5-48.9177.7-66166.5000110.4F34 F121 L122 A123 S127 G128 M129F34-I125 HydrophobicContact CD2-CG1 4.47Å; F34-I125 HydrophobicContact CE2-CG1 4.06Å; F121-I125 WeakPolarHBondContact O-CG1 3.27Å; F121-I125 PolarHBondContact O-N 3.04Å; L122-I125 PolarHBondContact O-N 3.38Å; L122-I125 VanDerWaalsContact O-N 3.13Å; A123-I125 VanDerWaalsContact C-N 3.34Å; A123-I125 PolarHBondContact O-N 2.85Å; I125-S127 VanDerWaalsContact C-N 3.27Å; I125-S127 PolarHBondContact O-N 3.28Å; I125-G128 PolarHBondContact O-N 3.36Å; I125-M129 PolarHBondContact O-N 3.11Å
126F94.9Very high94.5Very high11 Ų1122.8 Ų22.85%0.04811%0.108CC..Hα-helixtrans-65.1-28.9178.9-89.5-101.6000112.6T98 I102 L122 A123 G128 M129 T130 I174 F177T98-F126 HydrophobicContact CG2-CE2 3.77Å; T98-F126 HydrophobicContact CG2-CZ 3.52Å; I102-F126 HydrophobicContact CD1-CE2 4.32Å; L122-F126 HydrophobicContact CD1-CD2 3.73Å; L122-F126 HydrophobicContact CD1-CE2 3.62Å; L122-F126 HydrophobicContact CG-CD2 4Å; L122-F126 HydrophobicContact CG-CE2 4.25Å; L122-F126 PolarHBondContact O-N 2.86Å; A123-F126 PolarHBondContact O-N 3.47Å; F126-G128 VanDerWaalsContact C-N 3.3Å; F126-G128 PolarHBondContact O-N 2.94Å; F126-M129 HydrophobicContact CD1-SD 4.5Å; F126-M129 HydrophobicContact CE1-CE 4.47Å; F126-M129 HydrophobicContact CE1-SD 4.42Å; F126-M129 HydrophobicContact CE2-SD 4.45Å; F126-M129 HydrophobicContact CZ-SD 4.38Å; F126-M129 CarbonylContact O-C 3.08Å; F126-M129 WeakPolarHBondContact O-CB 3.46Å; F126-M129 PolarHBondContact O-N 3.11Å; F126-T130 PolarHBondContact O-N 2.89Å; F126-T130 PolarHBondContact O-OG1 3.25Å; F126-I174 HydrophobicContact CD1-CB 4.26Å; F126-I174 HydrophobicContact CD1-CG1 3.89Å; F126-I174 HydrophobicContact CD1-CG2 4.22Å; F126-I174 HydrophobicContact CD2-CG1 4.36Å; F126-I174 HydrophobicContact CE1-CB 4.48Å; F126-I174 HydrophobicContact CE1-CG1 4.06Å; F126-I174 HydrophobicContact CE1-CG2 4.06Å; F126-I174 HydrophobicContact CG-CG1 4.05Å; F126-I174 HydrophobicContact CZ-CD1 4.5Å; F126-I174 HydrophobicContact CZ-CG1 4.39Å; F126-F177 HydrophobicContact CD1-CB 3.98Å; F126-F177 AromaticContact CD1-CD1 3.7Å; F126-F177 HydrophobicContact CD1-CD1 3.7Å; F126-F177 AromaticContact CD1-CG 3.97Å; F126-F177 HydrophobicContact CD1-CG 3.97Å; F126-F177 AromaticContact CE1-CD1 3.63Å; F126-F177 HydrophobicContact CE1-CD1 3.63Å; F126-F177 HydrophobicContact CE1-CE1 4.08Å; F126-F177 HydrophobicContact CE1-CG 4.35Å
127S93.5Very high94.7Very high1 Ų118.2 Ų18.21%0.0079%0.091CC..Hα-helixtrans-61.5-35.5170.5-178.70000113.4R37 A123 I125 T130 A131 Y160R37-S127 PolarHBondContact NE-OG 3.27Å; R37-S127 PolarHBondContact NH1-OG 3.12Å; R37-S127 VanDerWaalsContact NH1-OG 3.16Å; R37-S127 PolarHBondContact NH2-OG 2.98Å; R37-S127 VanDerWaalsContact NH2-OG 3.17Å; A123-S127 WeakPolarHBondContact O-CB 3.21Å; A123-S127 PolarHBondContact O-N 2.88Å; I125-S127 VanDerWaalsContact C-N 3.27Å; I125-S127 PolarHBondContact O-N 3.28Å; S127-T130 WeakPolarHBondContact O-CB 3.49Å; S127-T130 PolarHBondContact O-N 2.93Å; S127-A131 PolarHBondContact O-N 2.88Å; S127-A131 VanDerWaalsContact O-N 3.11Å; S127-Y160 WeakPolarHBondContact OG-CE1 3.46Å
128G93.1Very high94.8Very high1 Ų116.4 Ų16.41%0.018%0.082CC..Hα-helixtrans-65.1-43.8173.800000111.4P124 I125 F126 T130 A131 V132P124-G128 PolarHBondContact O-N 3.4Å; I125-G128 PolarHBondContact O-N 3.36Å; F126-G128 VanDerWaalsContact C-N 3.3Å; F126-G128 PolarHBondContact O-N 2.94Å; G128-T130 VanDerWaalsContact C-N 3.33Å; G128-T130 PolarHBondContact O-N 3.37Å; G128-A131 PolarHBondContact O-N 3.41Å; G128-V132 PolarHBondContact O-N 3.02Å
129M94.5Very high94.9Very high56 Ų5619.4 Ų19.428%0.2769%0.094SC..Hα-helixtrans-63.7-36.1174.1-60.8176.362.100112.3W30 I125 F126 V132 A133 F177W30-M129 HydrophobicContact CH2-CG 3.73Å; W30-M129 HydrophobicContact CZ2-CG 3.94Å; W30-M129 HydrophobicContact CZ3-CG 4.49Å; I125-M129 PolarHBondContact O-N 3.11Å; F126-M129 HydrophobicContact CD1-SD 4.5Å; F126-M129 HydrophobicContact CE1-CE 4.47Å; F126-M129 HydrophobicContact CE1-SD 4.42Å; F126-M129 HydrophobicContact CE2-SD 4.45Å; F126-M129 HydrophobicContact CZ-SD 4.38Å; F126-M129 CarbonylContact O-C 3.08Å; F126-M129 WeakPolarHBondContact O-CB 3.46Å; F126-M129 PolarHBondContact O-N 3.11Å; M129-V132 PolarHBondContact O-N 3.41Å; M129-A133 WeakPolarHBondContact O-CB 3.25Å; M129-A133 PolarHBondContact O-N 3.08Å; M129-F177 HydrophobicContact CB-CD2 3.7Å; M129-F177 HydrophobicContact CB-CE2 3.85Å; M129-F177 HydrophobicContact CB-CG 4.35Å; M129-F177 HydrophobicContact CE-CE1 4.04Å; M129-F177 HydrophobicContact CE-CE2 4.01Å; M129-F177 HydrophobicContact CE-CZ 3.68Å
130T96.1Very high94.9Very high0 Ų021.6 Ų21.60%010%0.104CC..Hα-helixtrans-62.6-41.5174-61.50000112F126 S127 G128 A133 T134 I154 Y160 I176 F177F126-T130 PolarHBondContact O-N 2.89Å; F126-T130 PolarHBondContact O-OG1 3.25Å; S127-T130 WeakPolarHBondContact O-CB 3.49Å; S127-T130 PolarHBondContact O-N 2.93Å; G128-T130 VanDerWaalsContact C-N 3.33Å; G128-T130 PolarHBondContact O-N 3.37Å; T130-A133 PolarHBondContact O-N 3.29Å; T130-T134 VanDerWaalsContact O-CB 3.32Å; T130-T134 WeakPolarHBondContact O-CB 3.35Å; T130-T134 PolarHBondContact O-N 3Å; T130-T134 PolarHBondContact O-OG1 2.93Å; T130-I154 HydrophobicContact CG2-CD1 3.78Å; T130-I154 HydrophobicContact CG2-CG1 4.4Å; T130-Y160 HydrophobicContact CG2-CE1 3.79Å; T130-Y160 PolarHBondContact OG1-OH 3.5Å; T130-I176 HydrophobicContact CG2-CG2 3.92Å; T130-F177 WeakPolarHBondContact OG1-CA 3.43Å; T130-F177 WeakPolarHBondContact OG1-CB 3.46Å; T130-F177 PolarHBondContact OG1-N 3.42Å
131A95.5Very high94.9Very high2 Ų221.6 Ų21.62%0.01710%0.104CC..Hα-helixtrans-63-42.4174.700000111.6S127 G128 T134 Y135 A151 I154 A155S127-A131 PolarHBondContact O-N 2.88Å; S127-A131 VanDerWaalsContact O-N 3.11Å; G128-A131 PolarHBondContact O-N 3.41Å; A131-T134 PolarHBondContact O-N 3.49Å; A131-Y135 PolarHBondContact O-N 2.86Å; A131-A151 HydrophobicContact CB-CB 4.35Å; A131-A151 WeakPolarHBondContact O-CB 3.33Å; A131-I154 HydrophobicContact CB-CG2 4.09Å; A131-A155 HydrophobicContact CB-CB 4.38Å
132V95.4Very high94.7Very high36 Ų3621 Ų2122%0.21810%0.101CC..Hα-helixtrans-65.8-41.5175.7175.10000112.1W30 G128 M129 T134 Y135 F136W30-V132 HydrophobicContact CE3-CG2 4Å; W30-V132 HydrophobicContact CZ3-CG2 4.23Å; G128-V132 PolarHBondContact O-N 3.02Å; M129-V132 PolarHBondContact O-N 3.41Å; V132-T134 VanDerWaalsContact C-N 3.32Å; V132-T134 PolarHBondContact O-N 2.88Å; V132-Y135 WeakPolarHBondContact O-CB 3.17Å; V132-Y135 PolarHBondContact O-N 3.41Å; V132-F136 HydrophobicContact CG1-CD2 3.95Å; V132-F136 HydrophobicContact CG1-CE2 3.62Å; V132-F136 WeakPolarHBondContact O-CD2 3.36Å; V132-F136 PolarHBondContact O-N 2.94Å
133A95.7Very high94.6Very high3 Ų322.6 Ų22.63%0.02511%0.109CC..Hα-helixtrans-62.5-39.817400000111.8M129 T130 F136 F137 F177 M180 F181M129-A133 WeakPolarHBondContact O-CB 3.25Å; M129-A133 PolarHBondContact O-N 3.08Å; T130-A133 PolarHBondContact O-N 3.29Å; A133-F136 PolarHBondContact O-N 2.97Å; A133-F137 WeakPolarHBondContact O-CB 3.31Å; A133-F137 PolarHBondContact O-N 3.38Å; A133-F177 HydrophobicContact CB-CD2 4.21Å; A133-F177 HydrophobicContact CB-CE2 4.32Å; A133-M180 HydrophobicContact CB-CB 4.18Å; A133-F181 HydrophobicContact CB-CB 4.44Å
134T96.5Very high94.5Very high0 Ų026.1 Ų26.10%012%0.124CC..Hα-helixtrans-69.2-35.4178.7-57.50000112.5T130 A131 V132 T138 A150 I154 M180 V419T130-T134 VanDerWaalsContact O-CB 3.32Å; T130-T134 WeakPolarHBondContact O-CB 3.35Å; T130-T134 PolarHBondContact O-N 3Å; T130-T134 PolarHBondContact O-OG1 2.93Å; A131-T134 PolarHBondContact O-N 3.49Å; V132-T134 VanDerWaalsContact C-N 3.32Å; V132-T134 PolarHBondContact O-N 2.88Å; T134-T138 WeakPolarHBondContact O-CB 3.19Å; T134-T138 PolarHBondContact O-N 3.12Å; T134-T138 PolarHBondContact O-OG1 2.96Å; T134-A150 HydrophobicContact CG2-CB 3.86Å; T134-I154 HydrophobicContact CG2-CD1 4.32Å; T134-I154 HydrophobicContact CG2-CG2 4.06Å; T134-I154 WeakPolarHBondContact OG1-CD1 3.31Å; T134-M180 HydrophobicContact CG2-CE 4.02Å; T134-V419 HydrophobicContact CG2-CG2 4.07Å
135Y96.8Very high94.4Very high9 Ų927.4 Ų27.44%0.03514%0.138CC..Hα-helixtrans-56.4-53.5167.9165.7-102.3000111.1T22 L26 A131 V132 F137 T138 K139 G147 L148T22-Y135 HydrophobicContact CG2-CE2 4.18Å; T22-Y135 WeakPolarHBondContact CG2-OH 3.31Å; L26-Y135 HydrophobicContact CD1-CD1 3.8Å; L26-Y135 HydrophobicContact CD1-CD2 4.32Å; L26-Y135 HydrophobicContact CD1-CE1 3.93Å; L26-Y135 HydrophobicContact CD1-CE2 4.48Å; L26-Y135 HydrophobicContact CD1-CG 4.02Å; L26-Y135 HydrophobicContact CD2-CD1 4.34Å; L26-Y135 HydrophobicContact CD2-CD2 4Å; L26-Y135 HydrophobicContact CD2-CG 3.76Å; L26-Y135 HydrophobicContact CG-CG 4.49Å; A131-Y135 PolarHBondContact O-N 2.86Å; V132-Y135 WeakPolarHBondContact O-CB 3.17Å; V132-Y135 PolarHBondContact O-N 3.41Å; Y135-F137 PolarHBondContact O-N 3.33Å; Y135-T138 PolarHBondContact O-N 3.37Å; Y135-K139 HydrophobicContact CE1-CD 4.22Å; Y135-K139 WeakPolarHBondContact O-CB 3.43Å; Y135-K139 PolarHBondContact O-N 3.43Å; Y135-G147 VanDerWaalsContact CD2-C 3.47Å; Y135-L148 HydrophobicContact CD2-CD2 4.01Å; Y135-L148 HydrophobicContact CD2-CG 4.35Å; Y135-L148 HydrophobicContact CE2-CD2 3.92Å; Y135-L148 HydrophobicContact CE2-CG 4.12Å
136F95.8Very high94.4Very high79 Ų7924.5 Ų24.535%0.34612%0.123SC..Hα-helixtrans-65.4-39.1-178.1-74.5-61000113.1V132 A133 E140 Y184V132-F136 HydrophobicContact CG1-CD2 3.95Å; V132-F136 HydrophobicContact CG1-CE2 3.62Å; V132-F136 WeakPolarHBondContact O-CD2 3.36Å; V132-F136 PolarHBondContact O-N 2.94Å; A133-F136 PolarHBondContact O-N 2.97Å; F136-E140 PolarHBondContact O-N 3.35Å; F136-Y184 HydrophobicContact CB-CD1 4.27Å; F136-Y184 HydrophobicContact CB-CD2 3.83Å; F136-Y184 HydrophobicContact CB-CE1 4.18Å; F136-Y184 HydrophobicContact CB-CE2 3.75Å; F136-Y184 HydrophobicContact CB-CG 4.09Å
137F96.3Very high94.4Very high0 Ų024 Ų240%012%0.12CC..Hα-helixtrans-58.3-52.9173.1179.8-109.5000111.6A133 Y135 E140 I141 M180 I187 F391 V392 V419A133-F137 WeakPolarHBondContact O-CB 3.31Å; A133-F137 PolarHBondContact O-N 3.38Å; Y135-F137 PolarHBondContact O-N 3.33Å; F137-E140 PolarHBondContact O-N 2.88Å; F137-I141 HydrophobicContact CD1-CD1 3.72Å; F137-I141 HydrophobicContact CD2-CD1 4.3Å; F137-I141 HydrophobicContact CE1-CD1 3.49Å; F137-I141 VanDerWaalsContact CE1-CD1 3.49Å; F137-I141 HydrophobicContact CE2-CD1 4.09Å; F137-I141 HydrophobicContact CG-CD1 4.14Å; F137-I141 HydrophobicContact CZ-CD1 3.7Å; F137-I141 WeakPolarHBondContact O-CD1 3.37Å; F137-I141 WeakPolarHBondContact O-CG1 3.13Å; F137-M180 HydrophobicContact CB-CE 4.19Å; F137-M180 HydrophobicContact CD1-CE 3.55Å; F137-M180 HydrophobicContact CE1-CE 4.08Å; F137-M180 HydrophobicContact CG-CE 3.96Å; F137-I187 HydrophobicContact CD2-CD1 3.96Å; F137-I187 HydrophobicContact CE2-CD1 3.38Å; F137-I187 HydrophobicContact CE2-CG1 4.24Å; F137-I187 HydrophobicContact CZ-CD1 4.03Å; F137-F391 HydrophobicContact CE2-CE1 4.22Å; F137-F391 HydrophobicContact CZ-CE1 4.33Å; F137-V392 HydrophobicContact CZ-CG2 4.14Å; F137-V419 HydrophobicContact CD1-CG1 4.31Å; F137-V419 HydrophobicContact CD1-CG2 3.78Å; F137-V419 HydrophobicContact CE1-CG1 4.12Å; F137-V419 HydrophobicContact CE1-CG2 3.93Å
138T95.9Very high94.5Very high0 Ų025.1 Ų25.10%013%0.127CC..Hα-helixtrans-69.5-36.2-176.2-49.10000112.4T134 Y135 E140 I141 W142 A146 A150 V419 I423T134-T138 WeakPolarHBondContact O-CB 3.19Å; T134-T138 PolarHBondContact O-N 3.12Å; T134-T138 PolarHBondContact O-OG1 2.96Å; Y135-T138 PolarHBondContact O-N 3.37Å; T138-E140 VanDerWaalsContact C-N 3.27Å; T138-E140 PolarHBondContact O-N 3.22Å; T138-I141 PolarHBondContact O-N 3.37Å; T138-W142 PolarHBondContact O-N 3.02Å; T138-W142 VanDerWaalsContact O-N 3.12Å; T138-A146 HydrophobicContact CG2-CB 3.84Å; T138-A146 WeakPolarHBondContact CG2-O 3.15Å; T138-A150 HydrophobicContact CG2-CB 4.04Å; T138-A150 WeakPolarHBondContact OG1-CB 3.04Å; T138-V419 HydrophobicContact CG2-CG1 4.17Å; T138-I423 HydrophobicContact CG2-CG1 4.38Å
139K95Very high94.5Very high77 Ų7727.7 Ų27.734%0.33514%0.137SC..Hα-helixtrans-58.6-36.1175.5171.1170.7170.3167.20112.7Y135 E144Y135-K139 HydrophobicContact CE1-CD 4.22Å; Y135-K139 WeakPolarHBondContact O-CB 3.43Å; Y135-K139 PolarHBondContact O-N 3.43Å; K139-E144 HydrophobicContact CD-CG 4.06Å; K139-E144 VanDerWaalsContact CE-OE1 3.24Å; K139-E144 WeakPolarHBondContact CE-OE1 3.26Å; K139-E144 HydrophobicContact CG-CG 4.36Å; K139-E144 IonicContact NZ-OE1 2.76Å; K139-E144 PolarHBondContact NZ-OE1 3.03Å
140E93.7Very high94.6Very high47 Ų4725 Ų2522%0.2212%0.124CC..Hα-helixtrans-68.8-35.8174.7-68.3-74-177.800111.3F136 F137 T138 Y184 I187 K188 K191 E388F136-E140 PolarHBondContact O-N 3.35Å; F137-E140 PolarHBondContact O-N 2.88Å; T138-E140 VanDerWaalsContact C-N 3.27Å; T138-E140 PolarHBondContact O-N 3.22Å; E140-Y184 HydrophobicContact CG-CD2 4.16Å; E140-Y184 HydrophobicContact CG-CE2 4.08Å; E140-I187 HydrophobicContact CB-CG2 3.87Å; E140-K188 WeakPolarHBondContact OE1-CE 3.45Å; E140-K191 HydrophobicContact CB-CD 4.4Å; E140-K191 PolarHBondContact O-NZ 3.45Å; E140-K191 WeakPolarHBondContact OE2-CD 3.4Å; E140-K191 WeakPolarHBondContact OE2-CE 3.49Å; E140-K191 IonicContact OE2-NZ 2.72Å; E140-K191 PolarHBondContact OE2-NZ 3.27Å; E140-E388 VanDerWaalsContact O-OE2 3.04Å
141I93Very high94.6Very high2 Ų225 Ų251%0.0112%0.124CC..Hα-helixtrans-78.1-34-172.1-62158.4000113.4F137 T138 I187 R389 V392 V419 I423F137-I141 HydrophobicContact CD1-CD1 3.72Å; F137-I141 HydrophobicContact CD2-CD1 4.3Å; F137-I141 HydrophobicContact CE1-CD1 3.49Å; F137-I141 VanDerWaalsContact CE1-CD1 3.49Å; F137-I141 HydrophobicContact CE2-CD1 4.09Å; F137-I141 HydrophobicContact CG-CD1 4.14Å; F137-I141 HydrophobicContact CZ-CD1 3.7Å; F137-I141 WeakPolarHBondContact O-CD1 3.37Å; F137-I141 WeakPolarHBondContact O-CG1 3.13Å; T138-I141 PolarHBondContact O-N 3.37Å; I141-I187 HydrophobicContact CD1-CD1 3.95Å; I141-I187 HydrophobicContact CG1-CD1 3.81Å; I141-R389 HydrophobicContact CG2-CG 4.03Å; I141-R389 PolarHBondContact O-NE 2.98Å; I141-R389 PolarHBondContact O-NH2 2.96Å; I141-V392 HydrophobicContact CD1-CG1 4.23Å; I141-V392 HydrophobicContact CD1-CG2 3.41Å; I141-V392 VanDerWaalsContact CD1-CG2 3.41Å; I141-V392 HydrophobicContact CG1-CG2 3.81Å; I141-V392 HydrophobicContact CG2-CG2 4.29Å; I141-V419 HydrophobicContact CD1-CG1 4.25Å; I141-I423 HydrophobicContact CG2-CD1 4Å
142W91.2Very high94.6Very high46 Ų4627.1 Ų27.117%0.17414%0.139CC..SBendtrans-136.5-86.7-173-154.8-93.7000113.7T138 A146 L380 I423T138-W142 PolarHBondContact O-N 3.02Å; T138-W142 VanDerWaalsContact O-N 3.12Å; W142-A146 HydrophobicContact CB-CB 4.43Å; W142-L380 HydrophobicContact CH2-CB 4.32Å; W142-I423 HydrophobicContact CB-CD1 4.38Å; W142-I423 HydrophobicContact CB-CG1 4.07Å; W142-I423 HydrophobicContact CD2-CG2 3.8Å; W142-I423 HydrophobicContact CE3-CG2 3.88Å; W142-I423 HydrophobicContact CG-CG1 4.31Å; W142-I423 HydrophobicContact CG-CG2 4.19Å; W142-I423 HydrophobicContact CZ2-CG2 4.45Å; W142-I423 HydrophobicContact CZ3-CG2 4.26Å
143N91.8Very high94.7Very high35 Ų3525.9 Ų25.919%0.18713%0.13CC..  trans-151.1176-176.668.5-2.2000110G145 A146 G147 S426 E430N143-G145 VanDerWaalsContact C-N 3.35Å; N143-G145 PolarHBondContact OD1-N 2.85Å; N143-A146 WeakPolarHBondContact OD1-CB 3.37Å; N143-A146 PolarHBondContact OD1-N 2.72Å; N143-G147 PolarHBondContact O-N 3.37Å; N143-S426 PolarHBondContact ND2-OG 3.17Å; N143-E430 PolarHBondContact ND2-OE1 3.4Å
144E91.5Very high94.7Very high81 Ų8125.8 Ų25.838%0.37913%0.129SC..Hα-helixtrans-70-30.4176.9-54.7-162.2148.300112.9K139 G147 L148K139-E144 HydrophobicContact CD-CG 4.06Å; K139-E144 VanDerWaalsContact CE-OE1 3.24Å; K139-E144 WeakPolarHBondContact CE-OE1 3.26Å; K139-E144 HydrophobicContact CG-CG 4.36Å; K139-E144 IonicContact NZ-OE1 2.76Å; K139-E144 PolarHBondContact NZ-OE1 3.03Å; E144-G147 WeakPolarHBondContact O-CA 3.37Å; E144-G147 PolarHBondContact O-N 2.77Å; E144-G147 VanDerWaalsContact O-N 3.17Å; E144-L148 PolarHBondContact O-N 3.18Å
145G91.6Very high94.6Very high28 Ų2825.9 Ų25.929%0.28913%0.13SC..Hα-helixtrans-64.3-50.8-179.300000113.4N143 G147 L148 F149N143-G145 VanDerWaalsContact C-N 3.35Å; N143-G145 PolarHBondContact OD1-N 2.85Å; G145-G147 PolarHBondContact O-N 2.65Å; G145-L148 PolarHBondContact O-N 2.9Å; G145-L148 VanDerWaalsContact O-N 3.11Å; G145-F149 VanDerWaalsContact O-CD2 3.29Å; G145-F149 WeakPolarHBondContact O-CD2 3.41Å; G145-F149 PolarHBondContact O-N 2.96Å
146A93.9Very high94.5Very high0 Ų026.1 Ų26.10%013%0.132CC..Hα-helixtrans-59.9-34.4170.500000111.2T138 W142 N143 L148 F149 A150 A422 I423 S426T138-A146 HydrophobicContact CG2-CB 3.84Å; T138-A146 WeakPolarHBondContact CG2-O 3.15Å; W142-A146 HydrophobicContact CB-CB 4.43Å; N143-A146 WeakPolarHBondContact OD1-CB 3.37Å; N143-A146 PolarHBondContact OD1-N 2.72Å; A146-L148 PolarHBondContact O-N 3.31Å; A146-F149 PolarHBondContact O-N 3.02Å; A146-A150 VanDerWaalsContact O-CB 3.27Å; A146-A150 WeakPolarHBondContact O-CB 3.34Å; A146-A150 PolarHBondContact O-N 3.48Å; A146-A422 WeakPolarHBondContact O-CB 3.44Å; A146-I423 HydrophobicContact CB-CG1 4.1Å; A146-S426 PolarHBondContact N-OG 3.06Å
147G95.1Very high94.5Very high0 Ų022.4 Ų22.40%012%0.115CC..Hα-helixtrans-52.2-52.616900000112.9Y135 N143 E144 G145 A150 A151Y135-G147 VanDerWaalsContact CD2-C 3.47Å; N143-G147 PolarHBondContact O-N 3.37Å; E144-G147 WeakPolarHBondContact O-CA 3.37Å; E144-G147 PolarHBondContact O-N 2.77Å; E144-G147 VanDerWaalsContact O-N 3.17Å; G145-G147 PolarHBondContact O-N 2.65Å; G147-A150 PolarHBondContact O-N 3.36Å; G147-A151 PolarHBondContact O-N 3.41Å; G147-A151 VanDerWaalsContact O-N 3.15Å
148L95.2Very high94.4Very high26 Ų2622.4 Ų22.414%0.13612%0.116CC..Hα-helixtrans-67-43.9-179.4-67.3173.6000111.8T22 I25 L26 Y135 E144 G145 A146 A150 A151 C152T22-L148 HydrophobicContact CG2-CD2 4.21Å; I25-L148 HydrophobicContact CB-CD2 4.11Å; I25-L148 HydrophobicContact CD1-CD1 4.01Å; I25-L148 HydrophobicContact CG2-CB 4.36Å; I25-L148 HydrophobicContact CG2-CD2 3.88Å; L26-L148 HydrophobicContact CD2-CD2 4.13Å; L26-L148 HydrophobicContact CG-CD2 4.03Å; Y135-L148 HydrophobicContact CD2-CD2 4.01Å; Y135-L148 HydrophobicContact CD2-CG 4.35Å; Y135-L148 HydrophobicContact CE2-CD2 3.92Å; Y135-L148 HydrophobicContact CE2-CG 4.12Å; E144-L148 PolarHBondContact O-N 3.18Å; G145-L148 PolarHBondContact O-N 2.9Å; G145-L148 VanDerWaalsContact O-N 3.11Å; A146-L148 PolarHBondContact O-N 3.31Å; L148-A150 PolarHBondContact O-N 3.39Å; L148-A151 PolarHBondContact O-N 3.3Å; L148-C152 PolarHBondContact O-N 3.12Å; L148-C152 PolarHBondContact O-SG 3.02Å; L148-C152 VanDerWaalsContact O-SG 3.38Å
149F95Very high94.1Very high54 Ų5422.5 Ų22.524%0.23712%0.116CC..Hα-helixtrans-58.7-44.2174.5-80.4-66.3000112.3G145 A146 A151 C152 F153 A422 F429 L511G145-F149 VanDerWaalsContact O-CD2 3.29Å; G145-F149 WeakPolarHBondContact O-CD2 3.41Å; G145-F149 PolarHBondContact O-N 2.96Å; A146-F149 PolarHBondContact O-N 3.02Å; F149-A151 PolarHBondContact O-N 3.07Å; F149-C152 PolarHBondContact O-N 3.11Å; F149-F153 HydrophobicContact CB-CE2 4.13Å; F149-F153 HydrophobicContact CB-CZ 4.31Å; F149-F153 HydrophobicContact CD1-CE1 4.39Å; F149-F153 AromaticContact CD1-CZ 3.96Å; F149-F153 HydrophobicContact CD1-CZ 3.96Å; F149-F153 WeakPolarHBondContact O-CD2 3.31Å; F149-F153 WeakPolarHBondContact O-CG 3.42Å; F149-F153 PolarHBondContact O-N 2.92Å; F149-A422 HydrophobicContact CB-CB 3.62Å; F149-F429 HydrophobicContact CE1-CD2 4.34Å; F149-F429 AromaticContact CE1-CE2 3.88Å; F149-F429 HydrophobicContact CE1-CE2 3.88Å; F149-F429 AromaticContact CE2-CD2 3.72Å; F149-F429 HydrophobicContact CE2-CD2 3.72Å; F149-F429 HydrophobicContact CE2-CE2 4.11Å; F149-F429 AromaticContact CZ-CD2 3.42Å; F149-F429 HydrophobicContact CZ-CD2 3.42Å; F149-F429 VanDerWaalsContact CZ-CD2 3.42Å; F149-F429 AromaticContact CZ-CE2 3.34Å; F149-F429 HydrophobicContact CZ-CE2 3.34Å; F149-F429 HydrophobicContact CZ-CG 4.42Å; F149-F429 HydrophobicContact CZ-CZ 4.28Å; F149-L511 HydrophobicContact CE1-CD1 4.39Å
150A96.2Very high94.1Very high0 Ų018.9 Ų18.90%010%0.1CC..Hα-helixtrans-64.8-39.5-17900000112.1T134 T138 A146 G147 L148 F153 I154 A422T134-A150 HydrophobicContact CG2-CB 3.86Å; T138-A150 HydrophobicContact CG2-CB 4.04Å; T138-A150 WeakPolarHBondContact OG1-CB 3.04Å; A146-A150 VanDerWaalsContact O-CB 3.27Å; A146-A150 WeakPolarHBondContact O-CB 3.34Å; A146-A150 PolarHBondContact O-N 3.48Å; G147-A150 PolarHBondContact O-N 3.36Å; L148-A150 PolarHBondContact O-N 3.39Å; A150-F153 PolarHBondContact O-N 3.27Å; A150-I154 WeakPolarHBondContact O-CG2 3.12Å; A150-I154 PolarHBondContact O-N 3.06Å; A150-A422 HydrophobicContact CB-CB 3.63Å; A150-A422 VanDerWaalsContact N-CB 3.29Å
151A96.3Very high94.1Very high0 Ų016.6 Ų16.60%09%0.09CC..Hα-helixtrans-65.1-43174.300000112.4L26 A131 G147 L148 F149 A155L26-A151 HydrophobicContact CD2-CB 3.86Å; A131-A151 HydrophobicContact CB-CB 4.35Å; A131-A151 WeakPolarHBondContact O-CB 3.33Å; G147-A151 PolarHBondContact O-N 3.41Å; G147-A151 VanDerWaalsContact O-N 3.15Å; L148-A151 PolarHBondContact O-N 3.3Å; F149-A151 PolarHBondContact O-N 3.07Å; A151-A155 WeakPolarHBondContact O-CB 3.25Å; A151-A155 PolarHBondContact O-N 3.46Å
152C95.6Very high94Very high47 Ų4718.1 Ų18.132%0.31810%0.101SC..Hα-helixtrans-65-38.5175.6-69.70000112.6L148 F149L148-C152 PolarHBondContact O-N 3.12Å; L148-C152 PolarHBondContact O-SG 3.02Å; L148-C152 VanDerWaalsContact O-SG 3.38Å; F149-C152 PolarHBondContact O-N 3.11Å
153F96.1Very high93.9Very high9 Ų918.1 Ų18.14%0.03910%0.101CC..Hα-helixtrans-68.9-50.5177.9-63-24.3000112.3F149 A150 A155 I156 A157 L370 C418 A422 F425 L511 F514F149-F153 HydrophobicContact CB-CE2 4.13Å; F149-F153 HydrophobicContact CB-CZ 4.31Å; F149-F153 HydrophobicContact CD1-CE1 4.39Å; F149-F153 AromaticContact CD1-CZ 3.96Å; F149-F153 HydrophobicContact CD1-CZ 3.96Å; F149-F153 WeakPolarHBondContact O-CD2 3.31Å; F149-F153 WeakPolarHBondContact O-CG 3.42Å; F149-F153 PolarHBondContact O-N 2.92Å; A150-F153 PolarHBondContact O-N 3.27Å; F153-A155 VanDerWaalsContact C-N 3.25Å; F153-A155 PolarHBondContact O-N 3.08Å; F153-I156 PolarHBondContact O-N 3.02Å; F153-I156 VanDerWaalsContact O-N 3.14Å; F153-A157 WeakPolarHBondContact O-CB 3.48Å; F153-A157 PolarHBondContact O-N 3.49Å; F153-L370 HydrophobicContact CB-CD1 4.42Å; F153-L370 HydrophobicContact CD1-CD2 4.44Å; F153-L370 HydrophobicContact CD2-CD2 3.87Å; F153-L370 HydrophobicContact CE2-CD2 4.13Å; F153-L370 HydrophobicContact CG-CD2 4.05Å; F153-C418 HydrophobicContact CB-CB 4.09Å; F153-A422 HydrophobicContact CD2-CB 4.09Å; F153-A422 HydrophobicContact CE2-CB 4.04Å; F153-F425 AromaticContact CE2-CD2 3.73Å; F153-F425 HydrophobicContact CE2-CD2 3.73Å; F153-F425 HydrophobicContact CE2-CE2 4.31Å; F153-F425 AromaticContact CZ-CD2 3.57Å; F153-F425 HydrophobicContact CZ-CD2 3.57Å; F153-F425 HydrophobicContact CZ-CE2 4Å; F153-F425 HydrophobicContact CZ-CG 4.31Å; F153-L511 HydrophobicContact CE1-CD2 3.78Å; F153-L511 HydrophobicContact CZ-CD2 3.9Å; F153-F514 HydrophobicContact CD1-CD1 4.37Å; F153-F514 AromaticContact CD1-CE1 3.86Å; F153-F514 HydrophobicContact CD1-CE1 3.86Å
154I95.6Very high93.9Very high1 Ų116.5 Ų16.51%0.0059%0.092CC..Hα-helixtrans-67.3-26.7-177.1-159.5169.6000112.8T130 A131 T134 A150 I156 Y160 P415 C418T130-I154 HydrophobicContact CG2-CD1 3.78Å; T130-I154 HydrophobicContact CG2-CG1 4.4Å; A131-I154 HydrophobicContact CB-CG2 4.09Å; T134-I154 HydrophobicContact CG2-CD1 4.32Å; T134-I154 HydrophobicContact CG2-CG2 4.06Å; T134-I154 WeakPolarHBondContact OG1-CD1 3.31Å; A150-I154 WeakPolarHBondContact O-CG2 3.12Å; A150-I154 PolarHBondContact O-N 3.06Å; I154-I156 PolarHBondContact O-N 3.5Å; I154-Y160 HydrophobicContact CG1-CD1 4.15Å; I154-P415 HydrophobicContact CD1-CB 3.74Å; I154-P415 HydrophobicContact CD1-CG 4.02Å; I154-C418 HydrophobicContact CB-CB 4.26Å
155A95.2Very high93.9Very high2 Ų213.1 Ų13.12%0.0178%0.077CC..Hα-helixtrans-59.9-33.417400000112.9A29 G33 R37 A131 A151 F153A29-A155 HydrophobicContact CB-CB 4.47Å; A29-A155 WeakPolarHBondContact O-CB 3.45Å; G33-A155 WeakPolarHBondContact CA-O 3.47Å; R37-A155 PolarHBondContact NH1-O 3.28Å; A131-A155 HydrophobicContact CB-CB 4.38Å; A151-A155 WeakPolarHBondContact O-CB 3.25Å; A151-A155 PolarHBondContact O-N 3.46Å; F153-A155 VanDerWaalsContact C-N 3.25Å; F153-A155 PolarHBondContact O-N 3.08Å
156I95.4Very high94Very high15 Ų1511.8 Ų11.88%0.0776%0.063CC..Hα-helixtrans-115.9-0.6-176.568177.7000114.8V32 I36 F153 I154 P158 I161 F514 V515 C518V32-I156 HydrophobicContact CG1-CG2 3.67Å; I36-I156 HydrophobicContact CD1-CB 4.05Å; I36-I156 HydrophobicContact CD1-CG2 4.05Å; F153-I156 PolarHBondContact O-N 3.02Å; F153-I156 VanDerWaalsContact O-N 3.14Å; I154-I156 PolarHBondContact O-N 3.5Å; I156-P158 VanDerWaalsContact O-CD 3.29Å; I156-P158 WeakPolarHBondContact O-CD 3.38Å; I156-I161 VanDerWaalsContact O-CD1 3.29Å; I156-I161 WeakPolarHBondContact O-CD1 3.48Å; I156-F514 HydrophobicContact CD1-CD1 4.1Å; I156-F514 HydrophobicContact CD1-CE1 3.73Å; I156-F514 HydrophobicContact CG1-CE1 3.84Å; I156-F514 HydrophobicContact CG1-CZ 4.36Å; I156-V515 HydrophobicContact CD1-CB 4.4Å; I156-V515 HydrophobicContact CD1-CG2 3.77Å; I156-C518 HydrophobicContact CB-CB 4.34Å; I156-C518 HydrophobicContact CD1-CB 4.37Å; I156-C518 HydrophobicContact CG1-CB 4.34Å; I156-C518 WeakPolarHBondContact O-CB 3.46Å
157A94.6Very high93.8Very high0 Ų011.8 Ų11.80%06%0.063CC..  trans-62.4118.1-176.400000112.4F153 G159 Y160 I161 T414F153-A157 WeakPolarHBondContact O-CB 3.48Å; F153-A157 PolarHBondContact O-N 3.49Å; A157-G159 VanDerWaalsContact C-N 3.31Å; A157-G159 PolarHBondContact O-N 2.82Å; A157-Y160 PolarHBondContact O-N 3.48Å; A157-I161 PolarHBondContact O-N 3.5Å; A157-T414 HydrophobicContact CB-CG2 3.64Å
158P93.9Very high93.5Very high1 Ų112.3 Ų12.31%0.0067%0.067CC..Hα-helixtrans-58.1-39.3-176.3-27.735.6000113.8I156 Y160 I161 S162 D366 C518 V521 Y526I156-P158 VanDerWaalsContact O-CD 3.29Å; I156-P158 WeakPolarHBondContact O-CD 3.38Å; P158-Y160 PolarHBondContact O-N 3.37Å; P158-Y160 VanDerWaalsContact O-N 3.14Å; P158-I161 PolarHBondContact O-N 3.48Å; P158-I161 VanDerWaalsContact O-N 3.08Å; P158-S162 PolarHBondContact O-N 3.25Å; P158-D366 WeakPolarHBondContact CD-O 3.47Å; P158-C518 VanDerWaalsContact CD-SG 3.53Å; P158-C518 HydrophobicContact CG-CB 4.12Å; P158-V521 HydrophobicContact CB-CB 4.33Å; P158-V521 HydrophobicContact CB-CG1 3.76Å; P158-V521 HydrophobicContact CG-CB 4.27Å; P158-V521 HydrophobicContact CG-CG1 4.23Å; P158-Y526 HydrophobicContact CB-CE2 3.92Å
159G90.8Very high93.5Very high1 Ų111.2 Ų11.21%0.016%0.061CC..Hα-helixtrans-55.8-27.9174.600000114.6A157 S162 D366A157-G159 VanDerWaalsContact C-N 3.31Å; A157-G159 PolarHBondContact O-N 2.82Å; G159-S162 PolarHBondContact O-OG 2.69Å; G159-D366 PolarHBondContact N-O 2.85Å
160Y94.1Very high93.3Very high1 Ų19.2 Ų9.20%0.0045%0.053CC..Hα-helixtrans-91.8-35.7172179.5-139.5000112.7S127 T130 I154 A157 P158 S162 R163 S164 I176 L411S127-Y160 WeakPolarHBondContact OG-CE1 3.46Å; T130-Y160 HydrophobicContact CG2-CE1 3.79Å; T130-Y160 PolarHBondContact OG1-OH 3.5Å; I154-Y160 HydrophobicContact CG1-CD1 4.15Å; A157-Y160 PolarHBondContact O-N 3.48Å; P158-Y160 PolarHBondContact O-N 3.37Å; P158-Y160 VanDerWaalsContact O-N 3.14Å; Y160-S162 PolarHBondContact O-N 2.79Å; Y160-R163 PolarHBondContact O-N 2.97Å; Y160-S164 PolarHBondContact O-N 3.24Å; Y160-S164 PolarHBondContact O-OG 2.75Å; Y160-I176 HydrophobicContact CD2-CB 4.37Å; Y160-I176 HydrophobicContact CD2-CG1 4.27Å; Y160-I176 HydrophobicContact CD2-CG2 4.3Å; Y160-I176 HydrophobicContact CE2-CB 3.8Å; Y160-I176 HydrophobicContact CE2-CG1 4.01Å; Y160-I176 HydrophobicContact CE2-CG2 4.04Å; Y160-L411 HydrophobicContact CD2-CD1 3.93Å
161I93.7Very high93.1Very high0 Ų010.2 Ų10.20%06%0.058CC..Hα-helixtrans-57.6-38.1175.4-68.3170.4000111.1I36 I156 A157 P158 R163 S164 T165I36-I161 HydrophobicContact CD1-CD1 3.88Å; I36-I161 HydrophobicContact CG1-CD1 4.14Å; I36-I161 HydrophobicContact CG2-CD1 3.94Å; I156-I161 VanDerWaalsContact O-CD1 3.29Å; I156-I161 WeakPolarHBondContact O-CD1 3.48Å; A157-I161 PolarHBondContact O-N 3.5Å; P158-I161 PolarHBondContact O-N 3.48Å; P158-I161 VanDerWaalsContact O-N 3.08Å; I161-R163 PolarHBondContact O-N 3.42Å; I161-S164 CarbonylContact O-C 3.44Å; I161-S164 PolarHBondContact O-N 2.97Å; I161-T165 HydrophobicContact CG2-CG2 3.93Å; I161-T165 PolarHBondContact O-N 2.91Å; I161-T165 VanDerWaalsContact O-N 3.12Å
162S90.6Very high92.8Very high34 Ų3410.3 Ų10.324%0.2386%0.059CC..THydrogen-bonded Turntrans-46.8-35.2-17869.20000115.3P158 G159 Y160P158-S162 PolarHBondContact O-N 3.25Å; G159-S162 PolarHBondContact O-OG 2.69Å; Y160-S162 PolarHBondContact O-N 2.79Å
163R89.3Confident92.2Very high46 Ų468.1 Ų8.117%0.1744%0.044CC..THydrogen-bonded Turntrans-121.426.3175.7-60.4-170.6-173.2-104.5-16.7113.6Y160 I161 E172 E354 L411Y160-R163 PolarHBondContact O-N 2.97Å; I161-R163 PolarHBondContact O-N 3.42Å; R163-E172 HydrophobicContact CB-CB 4.16Å; R163-E354 IonicContact CZ-OE1 3.99Å; R163-E354 IonicContact CZ-OE2 3.14Å; R163-E354 IonicContact NH1-OE1 3.78Å; R163-E354 PolarHBondContact NH1-OE1 3.3Å; R163-E354 IonicContact NH1-OE2 2.96Å; R163-E354 IonicContact NH2-OE1 3.98Å; R163-E354 PolarHBondContact NH2-OE1 3.15Å; R163-E354 IonicContact NH2-OE2 3.98Å; R163-L411 HydrophobicContact CB-CD1 4.27Å
164S92.9Very high92.1Very high0 Ų07.8 Ų7.80%04%0.043CC..THydrogen-bonded Turntrans-13915.7173.560.30000114R37 Y160 I161R37-S164 WeakPolarHBondContact CD-O 3.4Å; R37-S164 WeakPolarHBondContact CG-O 3.31Å; R37-S164 PolarHBondContact NE-O 2.92Å; R37-S164 PolarHBondContact NE-OG 3.44Å; R37-S164 PolarHBondContact NH2-OG 3.32Å; R37-S164 VanDerWaalsContact NH2-OG 3.07Å; Y160-S164 PolarHBondContact O-N 3.24Å; Y160-S164 PolarHBondContact O-OG 2.75Å; I161-S164 CarbonylContact O-C 3.44Å; I161-S164 PolarHBondContact O-N 2.97Å
165T91.9Very high92Very high10 Ų107.8 Ų7.86%0.0614%0.042CC..SBendtrans-57.8150.6169.246.90000111.8I161 G167 S168I161-T165 HydrophobicContact CG2-CG2 3.93Å; I161-T165 PolarHBondContact O-N 2.91Å; I161-T165 VanDerWaalsContact O-N 3.12Å; T165-G167 PolarHBondContact O-N 3.44Å; T165-S168 WeakPolarHBondContact O-CB 3.39Å; T165-S168 PolarHBondContact O-N 3.13Å
166A92.5Very high92Very high0 Ų07.7 Ų7.70%04%0.042CC..THydrogen-bonded Turntrans-61.9133.3172.200000109.9R37 L38 S40 V41 V120 P124R37-A166 WeakPolarHBondContact O-CB 3.43Å; R37-A166 PolarHBondContact O-N 3.39Å; L38-A166 HydrophobicContact CD2-CB 4.07Å; S40-A166 PolarHBondContact OG-O 3.45Å; V41-A166 HydrophobicContact CG2-CB 3.66Å; V120-A166 WeakPolarHBondContact O-CA 3.4Å; P124-A166 HydrophobicContact CG-CB 3.81Å
167G89.4Confident92Very high0 Ų08.2 Ų8.20%04%0.043CC..THydrogen-bonded Turntrans93-18.5-170.600000114.6I48 H49 V120 T165 Y169I48-G167 CarbonylContact C-O 3.5Å; I48-G167 WeakPolarHBondContact CA-O 3.08Å; H49-G167 PolarHBondContact N-O 2.7Å; V120-G167 PolarHBondContact O-N 3.46Å; T165-G167 PolarHBondContact O-N 3.44Å; G167-Y169 PolarHBondContact O-N 2.83Å; G167-Y169 VanDerWaalsContact O-N 3.11Å
168S90.3Very high92.1Very high12 Ų128.2 Ų8.28%0.0844%0.044CC..  trans-84.481.8174.8-166.20000110.8T165 D170T165-S168 WeakPolarHBondContact O-CB 3.39Å; T165-S168 PolarHBondContact O-N 3.13Å; S168-D170 PolarHBondContact O-N 3.22Å; S168-D170 VanDerWaalsContact O-N 3.08Å
169Y93.3Very high92.2Very high3 Ų38.2 Ų8.21%0.0124%0.043CC..  trans-85.460.3-179.7-176.3-114.1000111.5P53 N56 T60 L95 S99 C119 L122 G167P53-Y169 WeakPolarHBondContact CB-O 3.07Å; N56-Y169 VanDerWaalsContact C-CE1 3.48Å; N56-Y169 HydrophobicContact CB-CD1 3.62Å; N56-Y169 HydrophobicContact CB-CE1 3.53Å; N56-Y169 PolarHBondContact ND2-O 3.49Å; T60-Y169 PolarHBondContact OG1-OH 3.11Å; L95-Y169 HydrophobicContact CD1-CD2 4.18Å; L95-Y169 HydrophobicContact CD1-CE2 3.62Å; L95-Y169 HydrophobicContact CD2-CE1 4.19Å; L95-Y169 HydrophobicContact CD2-CE2 4.3Å; L95-Y169 HydrophobicContact CG-CE1 4.34Å; L95-Y169 HydrophobicContact CG-CE2 3.9Å; S99-Y169 PolarHBondContact OG-OH 2.99Å; C119-Y169 HydrophobicContact CB-CD1 3.97Å; C119-Y169 HydrophobicContact CB-CD2 3.66Å; C119-Y169 HydrophobicContact CB-CE1 4.18Å; C119-Y169 HydrophobicContact CB-CE2 3.89Å; C119-Y169 HydrophobicContact CB-CG 3.72Å; C119-Y169 VanDerWaalsContact O-CD2 3.3Å; C119-Y169 WeakPolarHBondContact O-CD2 3.37Å; L122-Y169 HydrophobicContact CD2-CD2 4.29Å; L122-Y169 HydrophobicContact CD2-CE2 3.7Å; G167-Y169 PolarHBondContact O-N 2.83Å; G167-Y169 VanDerWaalsContact O-N 3.11Å
170D92.2Very high92.4Very high11 Ų118.1 Ų8.16%0.0594%0.043CC..  trans-107.6158.1175-163.114.6000112.2P53 S168 E172 G173 R408P53-D170 HydrophobicContact CG-CB 4.35Å; S168-D170 PolarHBondContact O-N 3.22Å; S168-D170 VanDerWaalsContact O-N 3.08Å; D170-E172 VanDerWaalsContact C-N 3.28Å; D170-E172 PolarHBondContact O-N 3.44Å; D170-G173 PolarHBondContact O-N 3.29Å; D170-G173 VanDerWaalsContact O-N 3.14Å; D170-R408 IonicContact OD2-NH2 2.59Å; D170-R408 PolarHBondContact OD2-NH2 3.14Å
171N91.9Very high92.5Very high22 Ų2211.7 Ų11.712%0.1186%0.058CC..THydrogen-bonded Turntrans-59.9-38.4-173.1-59.6-82.3000112G173 I174 A175 A211N171-G173 PolarHBondContact O-N 3.19Å; N171-G173 VanDerWaalsContact O-N 3.08Å; N171-I174 PolarHBondContact O-N 3.36Å; N171-A175 WeakPolarHBondContact O-CB 3.25Å; N171-A175 PolarHBondContact O-N 2.97Å; N171-A211 PolarHBondContact OD1-O 3.07Å
172E88.8Confident92.7Very high2 Ų211.7 Ų11.71%0.0096%0.058CC..Hα-helixtrans-44.8-35.3172.5-88.87416600114R163 D170 I174 A175 I176 W212 R408 L411R163-E172 HydrophobicContact CB-CB 4.16Å; D170-E172 VanDerWaalsContact C-N 3.28Å; D170-E172 PolarHBondContact O-N 3.44Å; E172-I174 VanDerWaalsContact C-N 3.35Å; E172-I174 PolarHBondContact O-N 3.47Å; E172-A175 PolarHBondContact O-N 2.91Å; E172-I176 PolarHBondContact O-N 3.41Å; E172-W212 HydrophobicContact CG-CZ2 4.3Å; E172-W212 PolarHBondContact OE1-NE1 3.4Å; E172-W212 PolarHBondContact OE2-NE1 3.07Å; E172-R408 IonicContact OE1-CZ 2.82Å; E172-R408 IonicContact OE1-NE 3.69Å; E172-R408 PolarHBondContact OE1-NE 2.67Å; E172-R408 IonicContact OE1-NH2 2.75Å; E172-R408 PolarHBondContact OE1-NH2 3.08Å; E172-R408 IonicContact OE2-NH2 3.08Å; E172-L411 HydrophobicContact CB-CD2 3.7Å; E172-L411 HydrophobicContact CG-CD2 3.29Å
173G84.6Confident92.9Very high1 Ų110 Ų101%0.015%0.047CC..Hα-helixtrans-62.5-37.1179.700000113.8D170 N171D170-G173 PolarHBondContact O-N 3.29Å; D170-G173 VanDerWaalsContact O-N 3.14Å; N171-G173 PolarHBondContact O-N 3.19Å; N171-G173 VanDerWaalsContact O-N 3.08Å
174I93.2Very high93.3Very high2 Ų29 Ų91%0.014%0.043CC..Hα-helixtrans-86.9-37.6172.8-65.6-179.8000110.9L95 T98 L122 F126 N171 E172 I176 F177 A178 Y207 A211L95-I174 HydrophobicContact CD1-CD1 3.59Å; L95-I174 HydrophobicContact CD1-CG1 4.18Å; T98-I174 HydrophobicContact CG2-CD1 3.87Å; L122-I174 HydrophobicContact CD2-CD1 4.08Å; F126-I174 HydrophobicContact CD1-CB 4.26Å; F126-I174 HydrophobicContact CD1-CG1 3.89Å; F126-I174 HydrophobicContact CD1-CG2 4.22Å; F126-I174 HydrophobicContact CD2-CG1 4.36Å; F126-I174 HydrophobicContact CE1-CB 4.48Å; F126-I174 HydrophobicContact CE1-CG1 4.06Å; F126-I174 HydrophobicContact CE1-CG2 4.06Å; F126-I174 HydrophobicContact CG-CG1 4.05Å; F126-I174 HydrophobicContact CZ-CD1 4.5Å; F126-I174 HydrophobicContact CZ-CG1 4.39Å; N171-I174 PolarHBondContact O-N 3.36Å; E172-I174 VanDerWaalsContact C-N 3.35Å; E172-I174 PolarHBondContact O-N 3.47Å; I174-I176 VanDerWaalsContact C-N 3.28Å; I174-I176 PolarHBondContact O-N 3.19Å; I174-F177 WeakPolarHBondContact O-CB 3.29Å; I174-F177 PolarHBondContact O-N 3.38Å; I174-A178 PolarHBondContact O-N 2.94Å; I174-Y207 HydrophobicContact CG2-CE1 3.68Å; I174-Y207 WeakPolarHBondContact CG2-OH 3.46Å; I174-A211 HydrophobicContact CG2-CB 4.15Å
175A94.1Very high93.5Very high0 Ų09.3 Ų9.30%05%0.045CC..Hα-helixtrans-55.6-39.9-171.500000113.3N171 E172 A178 L179 W212N171-A175 WeakPolarHBondContact O-CB 3.25Å; N171-A175 PolarHBondContact O-N 2.97Å; E172-A175 PolarHBondContact O-N 2.91Å; A175-A178 PolarHBondContact O-N 3.49Å; A175-L179 WeakPolarHBondContact O-CB 3.25Å; A175-L179 PolarHBondContact O-N 3.37Å; A175-W212 HydrophobicContact CB-CB 3.55Å; A175-W212 HydrophobicContact CB-CD2 3.68Å; A175-W212 HydrophobicContact CB-CE3 3.64Å; A175-W212 HydrophobicContact CB-CG 3.69Å; A175-W212 HydrophobicContact CB-CZ3 4.48Å
176I94.8Very high93.7Very high0 Ų08.8 Ų8.80%04%0.042CC..Hα-helixtrans-71.8-32.9-179.8-57.2-56.2000112.3T130 Y160 E172 I174 M180 L411 P415T130-I176 HydrophobicContact CG2-CG2 3.92Å; Y160-I176 HydrophobicContact CD2-CB 4.37Å; Y160-I176 HydrophobicContact CD2-CG1 4.27Å; Y160-I176 HydrophobicContact CD2-CG2 4.3Å; Y160-I176 HydrophobicContact CE2-CB 3.8Å; Y160-I176 HydrophobicContact CE2-CG1 4.01Å; Y160-I176 HydrophobicContact CE2-CG2 4.04Å; E172-I176 PolarHBondContact O-N 3.41Å; I174-I176 VanDerWaalsContact C-N 3.28Å; I174-I176 PolarHBondContact O-N 3.19Å; I176-M180 WeakPolarHBondContact O-CB 3.42Å; I176-M180 WeakPolarHBondContact O-CG 3.27Å; I176-M180 PolarHBondContact O-N 2.85Å; I176-M180 VanDerWaalsContact O-N 3.09Å; I176-L411 HydrophobicContact CD1-CD2 3.91Å; I176-L411 HydrophobicContact CD1-CG 3.84Å; I176-L411 HydrophobicContact CG1-CD1 4.38Å; I176-L411 HydrophobicContact CG1-CD2 3.9Å; I176-L411 HydrophobicContact CG1-CG 3.88Å; I176-P415 HydrophobicContact CG2-CG 3.76Å
177F95.6Very high93.8Very high26 Ų269 Ų911%0.1144%0.043CC..Hα-helixtrans-62.8-51.6168.6164-106.7000110.7F126 M129 T130 A133 I174 L179 M180 F181 Y207F126-F177 HydrophobicContact CD1-CB 3.98Å; F126-F177 AromaticContact CD1-CD1 3.7Å; F126-F177 HydrophobicContact CD1-CD1 3.7Å; F126-F177 AromaticContact CD1-CG 3.97Å; F126-F177 HydrophobicContact CD1-CG 3.97Å; F126-F177 AromaticContact CE1-CD1 3.63Å; F126-F177 HydrophobicContact CE1-CD1 3.63Å; F126-F177 HydrophobicContact CE1-CE1 4.08Å; F126-F177 HydrophobicContact CE1-CG 4.35Å; M129-F177 HydrophobicContact CB-CD2 3.7Å; M129-F177 HydrophobicContact CB-CE2 3.85Å; M129-F177 HydrophobicContact CB-CG 4.35Å; M129-F177 HydrophobicContact CE-CE1 4.04Å; M129-F177 HydrophobicContact CE-CE2 4.01Å; M129-F177 HydrophobicContact CE-CZ 3.68Å; T130-F177 WeakPolarHBondContact OG1-CA 3.43Å; T130-F177 WeakPolarHBondContact OG1-CB 3.46Å; T130-F177 PolarHBondContact OG1-N 3.42Å; A133-F177 HydrophobicContact CB-CD2 4.21Å; A133-F177 HydrophobicContact CB-CE2 4.32Å; I174-F177 WeakPolarHBondContact O-CB 3.29Å; I174-F177 PolarHBondContact O-N 3.38Å; F177-L179 VanDerWaalsContact C-N 3.33Å; F177-L179 PolarHBondContact O-N 2.76Å; F177-M180 PolarHBondContact O-N 3.02Å; F177-F181 HydrophobicContact CE2-CB 4.24Å; F177-F181 HydrophobicContact CE2-CG 4.47Å; F177-F181 HydrophobicContact CZ-CB 4.34Å; F177-F181 HydrophobicContact CZ-CG 4.3Å; F177-F181 VanDerWaalsContact O-CB 3.26Å; F177-F181 WeakPolarHBondContact O-CB 3.34Å; F177-F181 PolarHBondContact O-N 2.91Å; F177-Y207 HydrophobicContact CD1-CE1 4.36Å; F177-Y207 HydrophobicContact CE1-CE1 4.33Å
178A95.8Very high94.1Very high1 Ų110.7 Ų10.71%0.0085%0.05CC..Hα-helixtrans-61.7-39.8-177.700000112.2I174 A175 T182 Y207 M208I174-A178 PolarHBondContact O-N 2.94Å; A175-A178 PolarHBondContact O-N 3.49Å; A178-T182 VanDerWaalsContact O-CB 3.27Å; A178-T182 WeakPolarHBondContact O-CB 3.47Å; A178-T182 PolarHBondContact O-N 3.09Å; A178-T182 PolarHBondContact O-OG1 3.25Å; A178-Y207 HydrophobicContact CB-CD1 3.87Å; A178-Y207 HydrophobicContact CB-CE1 4.18Å; A178-M208 HydrophobicContact CB-CB 4.16Å; A178-M208 HydrophobicContact CB-SD 3.78Å
179L95.9Very high94.3Very high0 Ų010.2 Ų10.20%05%0.047CC..Hα-helixtrans-62-53.4174.7179.6151.1000111.8A175 F177 F181 T182 Y183 M208 F217 I218A175-L179 WeakPolarHBondContact O-CB 3.25Å; A175-L179 PolarHBondContact O-N 3.37Å; F177-L179 VanDerWaalsContact C-N 3.33Å; F177-L179 PolarHBondContact O-N 2.76Å; L179-F181 VanDerWaalsContact C-N 3.34Å; L179-F181 PolarHBondContact O-N 3.41Å; L179-T182 PolarHBondContact O-N 3.44Å; L179-Y183 HydrophobicContact CD1-CE2 4.41Å; L179-Y183 HydrophobicContact CD2-CD2 3.67Å; L179-Y183 HydrophobicContact CD2-CE2 3.44Å; L179-Y183 VanDerWaalsContact CD2-CE2 3.44Å; L179-Y183 HydrophobicContact CG-CD2 4.23Å; L179-Y183 HydrophobicContact CG-CE2 3.78Å; L179-Y183 PolarHBondContact O-N 3.04Å; L179-M208 HydrophobicContact CB-CE 3.87Å; L179-M208 HydrophobicContact CB-SD 4.16Å; L179-M208 HydrophobicContact CD1-CE 4.06Å; L179-M208 HydrophobicContact CG-CE 4.45Å; L179-F217 HydrophobicContact CD1-CD1 4.4Å; L179-I218 HydrophobicContact CB-CD1 4.39Å; L179-I218 HydrophobicContact CG-CD1 4.34Å
180M95.9Very high94.4Very high0 Ų010.6 Ų10.60%05%0.049CC..Hα-helixtrans-66.6-35.9-178.6-69.8-59.2-70.500112.4A133 T134 F137 I176 F177 Y183 Y184 Y395 P415 V419A133-M180 HydrophobicContact CB-CB 4.18Å; T134-M180 HydrophobicContact CG2-CE 4.02Å; F137-M180 HydrophobicContact CB-CE 4.19Å; F137-M180 HydrophobicContact CD1-CE 3.55Å; F137-M180 HydrophobicContact CE1-CE 4.08Å; F137-M180 HydrophobicContact CG-CE 3.96Å; I176-M180 WeakPolarHBondContact O-CB 3.42Å; I176-M180 WeakPolarHBondContact O-CG 3.27Å; I176-M180 PolarHBondContact O-N 2.85Å; I176-M180 VanDerWaalsContact O-N 3.09Å; F177-M180 PolarHBondContact O-N 3.02Å; M180-Y183 PolarHBondContact O-N 2.72Å; M180-Y184 WeakPolarHBondContact O-CB 3.23Å; M180-Y184 PolarHBondContact O-N 3Å; M180-Y395 HydrophobicContact SD-CE1 4.46Å; M180-P415 HydrophobicContact CE-CB 4.08Å; M180-P415 HydrophobicContact CG-CB 4.1Å; M180-P415 HydrophobicContact SD-CB 3.51Å; M180-P415 VanDerWaalsContact SD-CB 3.51Å; M180-P415 HydrophobicContact SD-CG 4.34Å; M180-V419 HydrophobicContact CE-CG2 4.22Å
181F96.3Very high94.5Very high75 Ų7512.9 Ų12.933%0.3296%0.059SC..Hα-helixtrans-67.9-41.5175.1-171.9-113.9000112.2A133 F177 L179 Y184 L185 A204A133-F181 HydrophobicContact CB-CB 4.44Å; F177-F181 HydrophobicContact CE2-CB 4.24Å; F177-F181 HydrophobicContact CE2-CG 4.47Å; F177-F181 HydrophobicContact CZ-CB 4.34Å; F177-F181 HydrophobicContact CZ-CG 4.3Å; F177-F181 VanDerWaalsContact O-CB 3.26Å; F177-F181 WeakPolarHBondContact O-CB 3.34Å; F177-F181 PolarHBondContact O-N 2.91Å; L179-F181 VanDerWaalsContact C-N 3.34Å; L179-F181 PolarHBondContact O-N 3.41Å; F181-Y184 HydrophobicContact CD2-CD1 4.13Å; F181-Y184 HydrophobicContact CE2-CD1 4.25Å; F181-Y184 HydrophobicContact CE2-CE1 4.35Å; F181-Y184 PolarHBondContact O-N 2.88Å; F181-L185 HydrophobicContact CD1-CD1 3.89Å; F181-L185 HydrophobicContact CE1-CD1 3.52Å; F181-L185 HydrophobicContact CE2-CD1 4.45Å; F181-L185 HydrophobicContact CZ-CD1 3.83Å; F181-L185 HydrophobicContact CZ-CG 4.46Å; F181-L185 WeakPolarHBondContact O-CG 3.49Å; F181-L185 PolarHBondContact O-N 2.9Å; F181-A204 HydrophobicContact CD1-CB 3.86Å; F181-A204 HydrophobicContact CE1-CB 4.16Å
182T96.9Very high94.5Very high0 Ų014.3 Ų14.30%07%0.069CC..Hα-helixtrans-62.2-44.5173.9-58.60000111.1A178 L179 L185 W186 A204 I218A178-T182 VanDerWaalsContact O-CB 3.27Å; A178-T182 WeakPolarHBondContact O-CB 3.47Å; A178-T182 PolarHBondContact O-N 3.09Å; A178-T182 PolarHBondContact O-OG1 3.25Å; L179-T182 PolarHBondContact O-N 3.44Å; T182-L185 PolarHBondContact O-N 3.28Å; T182-W186 WeakPolarHBondContact O-CB 3.17Å; T182-W186 PolarHBondContact O-N 3.37Å; T182-A204 WeakPolarHBondContact OG1-CB 3.31Å; T182-A204 PolarHBondContact OG1-O 3.47Å; T182-I218 HydrophobicContact CG2-CD1 4.09Å; T182-I218 HydrophobicContact CG2-CG2 4.16Å
183Y96.3Very high94.6Very high0 Ų015.1 Ų15.10%08%0.077CC..Hα-helixtrans-67.2-35.4178.4-69.2-10.9000113.5L179 M180 W186 I187 F217 I218 L221 F391 Y395L179-Y183 HydrophobicContact CD1-CE2 4.41Å; L179-Y183 HydrophobicContact CD2-CD2 3.67Å; L179-Y183 HydrophobicContact CD2-CE2 3.44Å; L179-Y183 VanDerWaalsContact CD2-CE2 3.44Å; L179-Y183 HydrophobicContact CG-CD2 4.23Å; L179-Y183 HydrophobicContact CG-CE2 3.78Å; L179-Y183 PolarHBondContact O-N 3.04Å; M180-Y183 PolarHBondContact O-N 2.72Å; Y183-W186 PolarHBondContact O-N 3.27Å; Y183-I187 PolarHBondContact O-N 3.44Å; Y183-F217 WeakPolarHBondContact OH-CD1 3.36Å; Y183-F217 WeakPolarHBondContact OH-CE1 3.33Å; Y183-I218 HydrophobicContact CE1-CB 4.2Å; Y183-I218 HydrophobicContact CE1-CD1 3.99Å; Y183-I218 HydrophobicContact CE1-CG1 3.72Å; Y183-I218 HydrophobicContact CE1-CG2 4.02Å; Y183-L221 HydrophobicContact CE1-CD2 4.29Å; Y183-L221 HydrophobicContact CE2-CD2 4.19Å; Y183-L221 WeakPolarHBondContact OH-CD2 3.27Å; Y183-F391 HydrophobicContact CD1-CE1 4.24Å; Y183-F391 AromaticContact CD1-CZ 3.59Å; Y183-F391 HydrophobicContact CD1-CZ 3.59Å; Y183-F391 HydrophobicContact CD2-CE1 4.13Å; Y183-F391 HydrophobicContact CD2-CZ 4.12Å; Y183-F391 AromaticContact CE1-CZ 3.81Å; Y183-F391 HydrophobicContact CE1-CZ 3.81Å; Y183-F391 HydrophobicContact CE2-CZ 4.32Å; Y183-F391 AromaticContact CG-CE1 3.92Å; Y183-F391 HydrophobicContact CG-CE1 3.92Å; Y183-F391 AromaticContact CG-CZ 3.75Å; Y183-F391 HydrophobicContact CG-CZ 3.75Å; Y183-Y395 AromaticContact CD2-CD1 3.99Å; Y183-Y395 HydrophobicContact CD2-CD1 3.99Å; Y183-Y395 AromaticContact CD2-CE1 3.72Å; Y183-Y395 HydrophobicContact CD2-CE1 3.72Å; Y183-Y395 AromaticContact CE2-CD1 3.8Å; Y183-Y395 HydrophobicContact CE2-CD1 3.8Å; Y183-Y395 HydrophobicContact CE2-CD2 4.47Å; Y183-Y395 AromaticContact CE2-CE1 3.54Å; Y183-Y395 HydrophobicContact CE2-CE1 3.54Å; Y183-Y395 HydrophobicContact CE2-CE2 4.29Å; Y183-Y395 HydrophobicContact CE2-CG 4.3Å; Y183-Y395 AromaticContact CE2-CZ 3.86Å
184Y96.3Very high95Very high24 Ų2421.5 Ų21.59%0.09410%0.104CC..Hα-helixtrans-60.9-48.5169.9157.2-117.9000111.7F136 E140 M180 F181 W186 I187 K188F136-Y184 HydrophobicContact CB-CD1 4.27Å; F136-Y184 HydrophobicContact CB-CD2 3.83Å; F136-Y184 HydrophobicContact CB-CE1 4.18Å; F136-Y184 HydrophobicContact CB-CE2 3.75Å; F136-Y184 HydrophobicContact CB-CG 4.09Å; E140-Y184 HydrophobicContact CG-CD2 4.16Å; E140-Y184 HydrophobicContact CG-CE2 4.08Å; M180-Y184 WeakPolarHBondContact O-CB 3.23Å; M180-Y184 PolarHBondContact O-N 3Å; F181-Y184 HydrophobicContact CD2-CD1 4.13Å; F181-Y184 HydrophobicContact CE2-CD1 4.25Å; F181-Y184 HydrophobicContact CE2-CE1 4.35Å; F181-Y184 PolarHBondContact O-N 2.88Å; Y184-W186 VanDerWaalsContact C-N 3.33Å; Y184-W186 PolarHBondContact O-N 3.13Å; Y184-I187 PolarHBondContact O-N 2.92Å; Y184-K188 HydrophobicContact CE2-CD 3.86Å; Y184-K188 WeakPolarHBondContact O-CB 3.35Å; Y184-K188 PolarHBondContact O-N 3.13Å; Y184-K188 PolarHBondContact OH-NZ 3.34Å
185L96.7Very high95.1Very high6 Ų625.3 Ų25.33%0.03113%0.128CC..Hα-helixtrans-65.3-35.6178.2-69.9171000112.3F181 T182 K188 A189 W197 L200 C201 A204F181-L185 HydrophobicContact CD1-CD1 3.89Å; F181-L185 HydrophobicContact CE1-CD1 3.52Å; F181-L185 HydrophobicContact CE2-CD1 4.45Å; F181-L185 HydrophobicContact CZ-CD1 3.83Å; F181-L185 HydrophobicContact CZ-CG 4.46Å; F181-L185 WeakPolarHBondContact O-CG 3.49Å; F181-L185 PolarHBondContact O-N 2.9Å; T182-L185 PolarHBondContact O-N 3.28Å; L185-K188 PolarHBondContact O-N 3.1Å; L185-A189 WeakPolarHBondContact O-CB 3.48Å; L185-A189 PolarHBondContact O-N 3.31Å; L185-W197 HydrophobicContact CD2-CE3 3.8Å; L185-W197 HydrophobicContact CD2-CZ3 4.06Å; L185-L200 HydrophobicContact CD1-CB 4.29Å; L185-L200 HydrophobicContact CD2-CB 4.27Å; L185-C201 HydrophobicContact CB-CB 3.87Å; L185-A204 HydrophobicContact CD1-CB 3.69Å
186W96.9Very high95.2Very high0 Ų030.8 Ų30.80%016%0.156CC..Hα-helixtrans-61.3-54.5173.7176.6-116.1000112T182 Y183 Y184 K188 A189 V190 I222 H225 I226 A242 Y243 F246 F391T182-W186 WeakPolarHBondContact O-CB 3.17Å; T182-W186 PolarHBondContact O-N 3.37Å; Y183-W186 PolarHBondContact O-N 3.27Å; Y184-W186 VanDerWaalsContact C-N 3.33Å; Y184-W186 PolarHBondContact O-N 3.13Å; W186-K188 VanDerWaalsContact C-N 3.26Å; W186-K188 PolarHBondContact O-N 3.33Å; W186-A189 WeakPolarHBondContact O-CB 3.39Å; W186-A189 PolarHBondContact O-N 3.01Å; W186-A189 VanDerWaalsContact O-N 3.13Å; W186-V190 HydrophobicContact CD2-CG2 4.15Å; W186-V190 HydrophobicContact CH2-CG2 3.97Å; W186-V190 HydrophobicContact CZ2-CG2 3.53Å; W186-V190 HydrophobicContact CZ3-CG2 4.47Å; W186-V190 WeakPolarHBondContact O-CG2 3.41Å; W186-V190 PolarHBondContact O-N 2.97Å; W186-I222 HydrophobicContact CB-CD1 4.34Å; W186-I222 HydrophobicContact CD2-CD1 4.07Å; W186-I222 HydrophobicContact CD2-CG1 4.17Å; W186-I222 HydrophobicContact CD2-CG2 4.05Å; W186-I222 HydrophobicContact CE3-CD1 4.35Å; W186-I222 HydrophobicContact CE3-CG2 4.16Å; W186-I222 HydrophobicContact CG-CD1 4.01Å; W186-I222 HydrophobicContact CG-CG1 4.13Å; W186-I222 HydrophobicContact CH2-CG2 3.9Å; W186-I222 HydrophobicContact CZ2-CG2 3.74Å; W186-I222 HydrophobicContact CZ3-CG2 4.09Å; W186-H225 AromaticContact CE2-ND1 3.88Å; W186-H225 AromaticContact CZ2-ND1 3.92Å; W186-H225 AromaticContact NE1-CE1 3.8Å; W186-H225 AromaticContact NE1-ND1 3.22Å; W186-H225 PolarHBondContact NE1-ND1 3.17Å; W186-I226 HydrophobicContact CH2-CD1 3.88Å; W186-I226 HydrophobicContact CH2-CG1 4.38Å; W186-I226 HydrophobicContact CZ2-CD1 3.89Å; W186-I226 HydrophobicContact CZ2-CG1 4.03Å; W186-A242 HydrophobicContact CH2-CB 4.32Å; W186-A242 HydrophobicContact CZ3-CB 4.2Å; W186-Y243 HydrophobicContact CH2-CD2 4.2Å; W186-F246 HydrophobicContact CE3-CG 4.44Å; W186-F246 HydrophobicContact CZ3-CB 4.15Å; W186-F246 HydrophobicContact CZ3-CD1 4.44Å; W186-F246 HydrophobicContact CZ3-CG 4.32Å; W186-F391 AromaticContact CD1-CD2 3.69Å; W186-F391 AromaticContact CD1-CE2 3.62Å; W186-F391 AromaticContact NE1-CD2 3.7Å; W186-F391 AromaticContact NE1-CE2 3.94Å
187I95.6Very high95.3Very high3 Ų333.9 Ų33.92%0.01517%0.168CC..Hα-helixtrans-55.6-45.2176.4-74.8-174.1000110.2F137 E140 I141 Y183 Y184 A189 V190 K191 E388 F391 V392F137-I187 HydrophobicContact CD2-CD1 3.96Å; F137-I187 HydrophobicContact CE2-CD1 3.38Å; F137-I187 HydrophobicContact CE2-CG1 4.24Å; F137-I187 HydrophobicContact CZ-CD1 4.03Å; E140-I187 HydrophobicContact CB-CG2 3.87Å; I141-I187 HydrophobicContact CD1-CD1 3.95Å; I141-I187 HydrophobicContact CG1-CD1 3.81Å; Y183-I187 PolarHBondContact O-N 3.44Å; Y184-I187 PolarHBondContact O-N 2.92Å; I187-A189 VanDerWaalsContact C-N 3.35Å; I187-A189 PolarHBondContact O-N 3.39Å; I187-V190 PolarHBondContact O-N 2.87Å; I187-K191 HydrophobicContact CG2-CD 3.9Å; I187-K191 HydrophobicContact CG2-CG 4.38Å; I187-K191 VanDerWaalsContact O-CG 3.31Å; I187-K191 WeakPolarHBondContact O-CG 3.29Å; I187-K191 PolarHBondContact O-N 3.29Å; I187-E388 HydrophobicContact CG2-CB 4.37Å; I187-E388 HydrophobicContact CG2-CG 4.14Å; I187-F391 HydrophobicContact CD1-CD1 4.12Å; I187-F391 HydrophobicContact CG1-CD1 4.24Å; I187-V392 HydrophobicContact CD1-CG2 3.97Å
188K94.8Very high95.3Very high37 Ų3732.6 Ų32.616%0.16116%0.163CC..Hα-helixtrans-64.8-36.2179.8-159.2169.7-159.9176.80113.2E140 Y184 L185 W186 T192 W197E140-K188 WeakPolarHBondContact OE1-CE 3.45Å; Y184-K188 HydrophobicContact CE2-CD 3.86Å; Y184-K188 WeakPolarHBondContact O-CB 3.35Å; Y184-K188 PolarHBondContact O-N 3.13Å; Y184-K188 PolarHBondContact OH-NZ 3.34Å; L185-K188 PolarHBondContact O-N 3.1Å; W186-K188 VanDerWaalsContact C-N 3.26Å; W186-K188 PolarHBondContact O-N 3.33Å; K188-T192 HydrophobicContact CG-CG2 4.46Å; K188-T192 WeakPolarHBondContact O-CB 3.23Å; K188-T192 VanDerWaalsContact O-CG2 3.3Å; K188-T192 WeakPolarHBondContact O-CG2 3.23Å; K188-T192 PolarHBondContact O-N 3.25Å; K188-T192 VanDerWaalsContact O-N 3.11Å; K188-T192 PolarHBondContact O-OG1 3.33Å; K188-W197 HydrophobicContact CD-CD2 3.94Å; K188-W197 HydrophobicContact CD-CE3 3.87Å; K188-W197 HydrophobicContact CD-CH2 4.05Å; K188-W197 HydrophobicContact CD-CZ2 4.07Å; K188-W197 HydrophobicContact CD-CZ3 3.93Å; K188-W197 HydrophobicContact CG-CD2 4.11Å; K188-W197 HydrophobicContact CG-CE3 4.44Å; K188-W197 HydrophobicContact CG-CG 4.35Å
189A95.5Very high95.3Very high1 Ų133.7 Ų33.71%0.00817%0.172CC..Hα-helixtrans-64.1-46.4172.800000111.5L185 W186 I187 T192 G193 W197 A198 A242L185-A189 WeakPolarHBondContact O-CB 3.48Å; L185-A189 PolarHBondContact O-N 3.31Å; W186-A189 WeakPolarHBondContact O-CB 3.39Å; W186-A189 PolarHBondContact O-N 3.01Å; W186-A189 VanDerWaalsContact O-N 3.13Å; I187-A189 VanDerWaalsContact C-N 3.35Å; I187-A189 PolarHBondContact O-N 3.39Å; A189-T192 PolarHBondContact O-N 3.42Å; A189-G193 WeakPolarHBondContact O-CA 3.4Å; A189-G193 PolarHBondContact O-N 3.18Å; A189-W197 HydrophobicContact CB-CB 3.93Å; A189-A198 HydrophobicContact CB-CB 4.24Å; A189-A242 HydrophobicContact CB-CB 4.1Å
190V94.5Very high95.4Very high11 Ų1136.9 Ų36.97%0.06719%0.188CC..Hα-helixtrans-60.8-46.6177.7174.20000111.6W186 I187 L239 A242W186-V190 HydrophobicContact CD2-CG2 4.15Å; W186-V190 HydrophobicContact CH2-CG2 3.97Å; W186-V190 HydrophobicContact CZ2-CG2 3.53Å; W186-V190 HydrophobicContact CZ3-CG2 4.47Å; W186-V190 WeakPolarHBondContact O-CG2 3.41Å; W186-V190 PolarHBondContact O-N 2.97Å; I187-V190 PolarHBondContact O-N 2.87Å; V190-L239 HydrophobicContact CG1-CD1 4.18Å; V190-L239 HydrophobicContact CG2-CD1 4.1Å; V190-A242 HydrophobicContact CG2-CB 4.43Å
191K93.5Very high95.4Very high59 Ų5936.9 Ų36.926%0.25719%0.188SC..Hα-helixtrans-62.1-46.8179.2-68.7175.989.11560113.1E140 I187 K238 E388E140-K191 HydrophobicContact CB-CD 4.4Å; E140-K191 PolarHBondContact O-NZ 3.45Å; E140-K191 WeakPolarHBondContact OE2-CD 3.4Å; E140-K191 WeakPolarHBondContact OE2-CE 3.49Å; E140-K191 IonicContact OE2-NZ 2.72Å; E140-K191 PolarHBondContact OE2-NZ 3.27Å; I187-K191 HydrophobicContact CG2-CD 3.9Å; I187-K191 HydrophobicContact CG2-CG 4.38Å; I187-K191 VanDerWaalsContact O-CG 3.31Å; I187-K191 WeakPolarHBondContact O-CG 3.29Å; I187-K191 PolarHBondContact O-N 3.29Å; K191-K238 WeakPolarHBondContact O-CD 3.23Å; K191-K238 PolarHBondContact O-NZ 3.28Å; K191-E388 HydrophobicContact CD-CG 4Å; K191-E388 WeakPolarHBondContact CD-OE2 3.45Å; K191-E388 VanDerWaalsContact CE-OE1 3.28Å; K191-E388 WeakPolarHBondContact CE-OE1 3.26Å; K191-E388 WeakPolarHBondContact CE-OE2 3.5Å; K191-E388 VanDerWaalsContact CG-CD 3.41Å; K191-E388 HydrophobicContact CG-CG 3.66Å; K191-E388 IonicContact NZ-OE1 2.65Å; K191-E388 IonicContact NZ-OE2 3.55Å; K191-E388 PolarHBondContact NZ-OE2 2.95Å
192T92.9Very high95.4Very high53 Ų5333.3 Ų33.333%0.32517%0.173SC..Hα-helixtrans-87.1-29.8-171.460.90000113.2K188 A189 K194K188-T192 HydrophobicContact CG-CG2 4.46Å; K188-T192 WeakPolarHBondContact O-CB 3.23Å; K188-T192 VanDerWaalsContact O-CG2 3.3Å; K188-T192 WeakPolarHBondContact O-CG2 3.23Å; K188-T192 PolarHBondContact O-N 3.25Å; K188-T192 VanDerWaalsContact O-N 3.11Å; K188-T192 PolarHBondContact O-OG1 3.33Å; A189-T192 PolarHBondContact O-N 3.42Å; T192-K194 PolarHBondContact O-N 3.32Å; T192-K194 PolarHBondContact OG1-N 3.49Å
193G90.7Very high95.4Very high18 Ų1837.7 Ų37.719%0.18620%0.195CC..  trans66.814.5-173.300000114.7A189A189-G193 WeakPolarHBondContact O-CA 3.4Å; A189-G193 PolarHBondContact O-N 3.18Å
194K92.8Very high95.4Very high135 Ų13538 Ų3859%0.58720%0.198SC*.  trans-91.3127.9-178.3-62.5-174.4177-172.60111.3T192 L196 W197T192-K194 PolarHBondContact O-N 3.32Å; T192-K194 PolarHBondContact OG1-N 3.49Å; K194-L196 PolarHBondContact O-N 3.19Å; K194-L196 VanDerWaalsContact O-N 3.09Å; K194-W197 PolarHBondContact O-N 2.68Å
195V95.1Very high95.4Very high83 Ų8337 Ų3750%0.50319%0.194SC..Hα-helixtrans-46.3-40.5175.1-1790000112.4W197 A198 A199 V241 T245V195-W197 PolarHBondContact O-N 2.98Å; V195-A198 PolarHBondContact O-N 3.31Å; V195-A198 VanDerWaalsContact O-N 3.14Å; V195-A199 PolarHBondContact O-N 3.47Å; V195-V241 HydrophobicContact CG2-CG1 3.69Å; V195-T245 HydrophobicContact CG1-CG2 3.91Å
196L96.4Very high95.4Very high114 Ų11440 Ų4060%0.59721%0.207SC*.Hα-helixtrans-54.6-44.8178.9179.863.3000113.5K194 A199 L200K194-L196 PolarHBondContact O-N 3.19Å; K194-L196 VanDerWaalsContact O-N 3.09Å; L196-A199 PolarHBondContact O-N 2.93Å; L196-L200 HydrophobicContact CD1-CD1 4.38Å; L196-L200 HydrophobicContact CG-CD1 4.27Å; L196-L200 WeakPolarHBondContact O-CG 3.27Å; L196-L200 PolarHBondContact O-N 3.17Å
197W96.6Very high95.4Very high65 Ų6543 Ų4325%0.24622%0.219CC..Hα-helixtrans-72.5-31.9-179.8-65.8115.8000111.8L185 K188 A189 K194 V195 L200 C201L185-W197 HydrophobicContact CD2-CE3 3.8Å; L185-W197 HydrophobicContact CD2-CZ3 4.06Å; K188-W197 HydrophobicContact CD-CD2 3.94Å; K188-W197 HydrophobicContact CD-CE3 3.87Å; K188-W197 HydrophobicContact CD-CH2 4.05Å; K188-W197 HydrophobicContact CD-CZ2 4.07Å; K188-W197 HydrophobicContact CD-CZ3 3.93Å; K188-W197 HydrophobicContact CG-CD2 4.11Å; K188-W197 HydrophobicContact CG-CE3 4.44Å; K188-W197 HydrophobicContact CG-CG 4.35Å; A189-W197 HydrophobicContact CB-CB 3.93Å; K194-W197 PolarHBondContact O-N 2.68Å; V195-W197 PolarHBondContact O-N 2.98Å; W197-L200 HydrophobicContact CE3-CD1 3.86Å; W197-L200 HydrophobicContact CZ3-CD1 4Å; W197-C201 VanDerWaalsContact O-CB 3.28Å; W197-C201 WeakPolarHBondContact O-CB 3.45Å; W197-C201 PolarHBondContact O-N 2.88Å
198A95.5Very high95.4Very high0 Ų042.9 Ų42.90%022%0.218CC..Hα-helixtrans-70-37.8173.800000112.4A189 V195 C201 A202 A242 T245A189-A198 HydrophobicContact CB-CB 4.24Å; V195-A198 PolarHBondContact O-N 3.31Å; V195-A198 VanDerWaalsContact O-N 3.14Å; A198-C201 WeakPolarHBondContact O-CB 3.08Å; A198-C201 PolarHBondContact O-N 2.99Å; A198-A202 PolarHBondContact O-N 2.99Å; A198-A242 WeakPolarHBondContact CB-O 3.47Å; A198-T245 HydrophobicContact CB-CG2 3.74Å
199A96.7Very high95.5Very high24 Ų2441.1 Ų41.120%0.19821%0.21CC..Hα-helixtrans-66.7-43.3173.500000111.9V195 L196 C201 A202 I203 T245 L249V195-A199 PolarHBondContact O-N 3.47Å; L196-A199 PolarHBondContact O-N 2.93Å; A199-C201 VanDerWaalsContact C-N 3.31Å; A199-C201 PolarHBondContact O-N 3.11Å; A199-A202 WeakPolarHBondContact O-CB 3.34Å; A199-A202 PolarHBondContact O-N 3.23Å; A199-I203 WeakPolarHBondContact O-CG1 3.35Å; A199-I203 PolarHBondContact O-N 3.36Å; A199-T245 HydrophobicContact CB-CG2 4.43Å; A199-L249 HydrophobicContact CB-CD1 3.87Å
200L96.8Very high95.4Very high67 Ų6741.6 Ų41.635%0.35121%0.213SC..Hα-helixtrans-61.8-38.5171.7-70.9170.7000111.8L185 L196 W197 A202 I203 A204L185-L200 HydrophobicContact CD1-CB 4.29Å; L185-L200 HydrophobicContact CD2-CB 4.27Å; L196-L200 HydrophobicContact CD1-CD1 4.38Å; L196-L200 HydrophobicContact CG-CD1 4.27Å; L196-L200 WeakPolarHBondContact O-CG 3.27Å; L196-L200 PolarHBondContact O-N 3.17Å; W197-L200 HydrophobicContact CE3-CD1 3.86Å; W197-L200 HydrophobicContact CZ3-CD1 4Å; L200-A202 VanDerWaalsContact C-N 3.33Å; L200-A202 PolarHBondContact O-N 3.34Å; L200-I203 PolarHBondContact O-N 3.45Å; L200-A204 WeakPolarHBondContact O-CB 3.47Å; L200-A204 PolarHBondContact O-N 3.49Å
201C96.9Very high95.4Very high0 Ų041.1 Ų41.10%021%0.211CC..Hα-helixtrans-63.3-37173.8-1690000112.4L185 W197 A198 A199 Y205 F246L185-C201 HydrophobicContact CB-CB 3.87Å; W197-C201 VanDerWaalsContact O-CB 3.28Å; W197-C201 WeakPolarHBondContact O-CB 3.45Å; W197-C201 PolarHBondContact O-N 2.88Å; A198-C201 WeakPolarHBondContact O-CB 3.08Å; A198-C201 PolarHBondContact O-N 2.99Å; A199-C201 VanDerWaalsContact C-N 3.31Å; A199-C201 PolarHBondContact O-N 3.11Å; C201-Y205 WeakPolarHBondContact O-CB 3.17Å; C201-Y205 PolarHBondContact O-N 3.03Å; C201-F246 HydrophobicContact CB-CD2 4.07Å
202A96.7Very high95.4Very high0 Ų039.7 Ų39.70%020%0.204CC..Hα-helixtrans-68.2-38.3174.700000112.3A198 A199 L200 Y205 F206 F246 L249 M253A198-A202 PolarHBondContact O-N 2.99Å; A199-A202 WeakPolarHBondContact O-CB 3.34Å; A199-A202 PolarHBondContact O-N 3.23Å; L200-A202 VanDerWaalsContact C-N 3.33Å; L200-A202 PolarHBondContact O-N 3.34Å; A202-Y205 PolarHBondContact O-N 3.21Å; A202-F206 PolarHBondContact O-N 3.17Å; A202-F246 HydrophobicContact CB-CD2 4.35Å; A202-L249 HydrophobicContact CB-CB 3.56Å; A202-L249 HydrophobicContact CB-CD1 4.4Å; A202-M253 HydrophobicContact CB-SD 4.46Å
203I96.6Very high95.2Very high91 Ų9137.9 Ų37.947%0.46720%0.196SC..Hα-helixtrans-67.2-40.8174.6-65.6164.4000111.1A199 L200 F206 Y207 M253A199-I203 WeakPolarHBondContact O-CG1 3.35Å; A199-I203 PolarHBondContact O-N 3.36Å; L200-I203 PolarHBondContact O-N 3.45Å; I203-F206 WeakPolarHBondContact O-CB 3.29Å; I203-F206 PolarHBondContact O-N 3.07Å; I203-Y207 PolarHBondContact O-N 3.4Å; I203-M253 HydrophobicContact CG1-CE 3.99Å; I203-M253 HydrophobicContact CG1-SD 4.28Å
204A96.1Very high95.1Very high8 Ų837.6 Ų37.67%0.06619%0.193CC..Hα-helixtrans-64.6-40173.800000112F181 T182 L185 L200 Y207 M208F181-A204 HydrophobicContact CD1-CB 3.86Å; F181-A204 HydrophobicContact CE1-CB 4.16Å; T182-A204 WeakPolarHBondContact OG1-CB 3.31Å; T182-A204 PolarHBondContact OG1-O 3.47Å; L185-A204 HydrophobicContact CD1-CB 3.69Å; L200-A204 WeakPolarHBondContact O-CB 3.47Å; L200-A204 PolarHBondContact O-N 3.49Å; A204-Y207 PolarHBondContact O-N 2.98Å; A204-M208 PolarHBondContact O-N 3.03Å
205Y96.8Very high95.1Very high3 Ų331.3 Ų31.31%0.01217%0.166CC..Hα-helixtrans-63.9-39.7171.9172.6-104000112.2C201 A202 Y207 M208 V209 Y215 I218 I219 F246C201-Y205 WeakPolarHBondContact O-CB 3.17Å; C201-Y205 PolarHBondContact O-N 3.03Å; A202-Y205 PolarHBondContact O-N 3.21Å; Y205-Y207 VanDerWaalsContact C-N 3.33Å; Y205-Y207 PolarHBondContact O-N 3.02Å; Y205-M208 CarbonylContact O-C 3.38Å; Y205-M208 WeakPolarHBondContact O-CA 3.38Å; Y205-M208 WeakPolarHBondContact O-CB 3.2Å; Y205-M208 PolarHBondContact O-N 3.34Å; Y205-M208 VanDerWaalsContact O-N 3.11Å; Y205-V209 HydrophobicContact CD1-CG2 4.03Å; Y205-V209 HydrophobicContact CD2-CG2 4.21Å; Y205-V209 HydrophobicContact CE1-CG2 3.63Å; Y205-V209 HydrophobicContact CE2-CG2 3.82Å; Y205-V209 HydrophobicContact CG-CG2 4.31Å; Y205-V209 VanDerWaalsContact O-CG2 3.23Å; Y205-V209 WeakPolarHBondContact O-CG2 3.24Å; Y205-V209 PolarHBondContact O-N 3.43Å; Y205-Y215 HydrophobicContact CE2-CD2 4.35Å; Y205-Y215 WeakPolarHBondContact OH-CD2 3.4Å; Y205-I218 HydrophobicContact CD2-CB 4.27Å; Y205-I218 HydrophobicContact CD2-CG2 3.83Å; Y205-I218 HydrophobicContact CE2-CB 4.29Å; Y205-I218 HydrophobicContact CE2-CG2 4.19Å; Y205-I219 HydrophobicContact CE2-CB 4.12Å; Y205-I219 WeakPolarHBondContact OH-CB 3.37Å; Y205-F246 HydrophobicContact CD1-CE2 4.49Å; Y205-F246 HydrophobicContact CD1-CZ 4.38Å; Y205-F246 HydrophobicContact CD2-CZ 4.24Å; Y205-F246 HydrophobicContact CG-CE2 4.08Å; Y205-F246 HydrophobicContact CG-CZ 4.01Å
206F96.6Very high95.1Very high68 Ų6827.8 Ų27.830%0.29814%0.144SC..Hα-helixtrans-59.8-41.3172.8172.8-115.5000112.5A202 I203 M208 V209 S210 M253 Q256 I257A202-F206 PolarHBondContact O-N 3.17Å; I203-F206 WeakPolarHBondContact O-CB 3.29Å; I203-F206 PolarHBondContact O-N 3.07Å; F206-M208 VanDerWaalsContact C-N 3.34Å; F206-V209 PolarHBondContact O-N 3.33Å; F206-S210 PolarHBondContact O-N 3.47Å; F206-S210 PolarHBondContact O-OG 3.05Å; F206-M253 HydrophobicContact CB-CB 3.88Å; F206-M253 HydrophobicContact CB-CG 4.5Å; F206-M253 HydrophobicContact CB-SD 4.12Å; F206-M253 HydrophobicContact CD2-CB 3.73Å; F206-M253 VanDerWaalsContact CD2-O 3.28Å; F206-M253 WeakPolarHBondContact CD2-O 3.33Å; F206-M253 VanDerWaalsContact CE2-O 3.31Å; F206-M253 WeakPolarHBondContact CE2-O 3.42Å; F206-M253 HydrophobicContact CG-CB 3.94Å; F206-Q256 HydrophobicContact CE2-CB 4.34Å; F206-I257 HydrophobicContact CE2-CD1 3.62Å; F206-I257 HydrophobicContact CE2-CG1 4Å; F206-I257 HydrophobicContact CZ-CD1 4.04Å
207Y96.3Very high95Very high63 Ų6324 Ų2425%0.24712%0.123CC..Hα-helixtrans-64.8-36.2172.9-176.4-112.4000112.6T98 I174 F177 A178 I203 A204 Y205 S210 A211T98-Y207 PolarHBondContact OG1-OH 2.78Å; I174-Y207 HydrophobicContact CG2-CE1 3.68Å; I174-Y207 WeakPolarHBondContact CG2-OH 3.46Å; F177-Y207 HydrophobicContact CD1-CE1 4.36Å; F177-Y207 HydrophobicContact CE1-CE1 4.33Å; A178-Y207 HydrophobicContact CB-CD1 3.87Å; A178-Y207 HydrophobicContact CB-CE1 4.18Å; I203-Y207 PolarHBondContact O-N 3.4Å; A204-Y207 PolarHBondContact O-N 2.98Å; Y205-Y207 VanDerWaalsContact C-N 3.33Å; Y205-Y207 PolarHBondContact O-N 3.02Å; Y207-S210 PolarHBondContact O-OG 2.88Å; Y207-S210 VanDerWaalsContact O-OG 3.12Å; Y207-A211 VanDerWaalsContact O-CB 3.25Å; Y207-A211 WeakPolarHBondContact O-CB 3.36Å; Y207-A211 PolarHBondContact O-N 3.12Å; Y207-A211 VanDerWaalsContact O-N 3.09Å
208M96Very high94.9Very high0 Ų021 Ų210%011%0.112CC..Hα-helixtrans-64.1-46.6171.3-178.172.6170.700112.1A178 L179 A204 Y205 F206 S210 A211 W212 I218A178-M208 HydrophobicContact CB-CB 4.16Å; A178-M208 HydrophobicContact CB-SD 3.78Å; L179-M208 HydrophobicContact CB-CE 3.87Å; L179-M208 HydrophobicContact CB-SD 4.16Å; L179-M208 HydrophobicContact CD1-CE 4.06Å; L179-M208 HydrophobicContact CG-CE 4.45Å; A204-M208 PolarHBondContact O-N 3.03Å; Y205-M208 CarbonylContact O-C 3.38Å; Y205-M208 WeakPolarHBondContact O-CA 3.38Å; Y205-M208 WeakPolarHBondContact O-CB 3.2Å; Y205-M208 PolarHBondContact O-N 3.34Å; Y205-M208 VanDerWaalsContact O-N 3.11Å; F206-M208 VanDerWaalsContact C-N 3.34Å; M208-S210 VanDerWaalsContact C-N 3.29Å; M208-S210 PolarHBondContact O-N 3.38Å; M208-A211 PolarHBondContact O-N 3.01Å; M208-A211 VanDerWaalsContact O-N 3.14Å; M208-W212 HydrophobicContact CE-CE3 3.63Å; M208-W212 HydrophobicContact CE-CZ3 4.15Å; M208-W212 PolarHBondContact O-N 2.59Å; M208-I218 HydrophobicContact CB-CD1 4.44Å; M208-I218 HydrophobicContact CE-CD1 4.07Å; M208-I218 HydrophobicContact CE-CG1 4.42Å; M208-I218 HydrophobicContact CG-CD1 3.78Å; M208-I218 HydrophobicContact SD-CD1 4.34Å
209V96.1Very high94.9Very high0 Ų021.4 Ų21.40%011%0.114CC..Hα-helixtrans-61.6-36.8178.2176.70000111.2Y92 Y205 F206 Y215 I257 V260Y92-V209 WeakPolarHBondContact CD1-O 3.46Å; Y92-V209 WeakPolarHBondContact CE1-O 3.24Å; Y205-V209 HydrophobicContact CD1-CG2 4.03Å; Y205-V209 HydrophobicContact CD2-CG2 4.21Å; Y205-V209 HydrophobicContact CE1-CG2 3.63Å; Y205-V209 HydrophobicContact CE2-CG2 3.82Å; Y205-V209 HydrophobicContact CG-CG2 4.31Å; Y205-V209 VanDerWaalsContact O-CG2 3.23Å; Y205-V209 WeakPolarHBondContact O-CG2 3.24Å; Y205-V209 PolarHBondContact O-N 3.43Å; F206-V209 PolarHBondContact O-N 3.33Å; V209-Y215 HydrophobicContact CB-CD1 4.49Å; V209-Y215 HydrophobicContact CB-CG 4.21Å; V209-Y215 HydrophobicContact CG1-CD1 4.28Å; V209-Y215 HydrophobicContact CG1-CD2 4.41Å; V209-Y215 HydrophobicContact CG1-CE1 4.43Å; V209-Y215 HydrophobicContact CG1-CG 4.3Å; V209-Y215 HydrophobicContact CG2-CD1 4.44Å; V209-Y215 HydrophobicContact CG2-CD2 3.71Å; V209-Y215 HydrophobicContact CG2-CE2 4.44Å; V209-Y215 HydrophobicContact CG2-CG 3.7Å; V209-I257 HydrophobicContact CG1-CG1 4.1Å; V209-V260 HydrophobicContact CG1-CG2 3.95Å
210S94.5Very high94.8Very high11 Ų1122.1 Ų22.18%0.07712%0.115CC..Hα-helixtrans-77.1-21.4176.775.40000113.4Y92 P93 G94 F206 Y207 M208Y92-S210 CarbonylContact C-O 3.57Å; Y92-S210 WeakPolarHBondContact CA-O 3.24Å; Y92-S210 WeakPolarHBondContact CB-O 3.39Å; P93-S210 WeakPolarHBondContact CD-O 3.38Å; G94-S210 WeakPolarHBondContact CA-O 3.48Å; G94-S210 PolarHBondContact N-O 3.12Å; F206-S210 PolarHBondContact O-N 3.47Å; F206-S210 PolarHBondContact O-OG 3.05Å; Y207-S210 PolarHBondContact O-OG 2.88Å; Y207-S210 VanDerWaalsContact O-OG 3.12Å; M208-S210 VanDerWaalsContact C-N 3.29Å; M208-S210 PolarHBondContact O-N 3.38Å
211A93.3Very high94.7Very high1 Ų119.2 Ų19.21%0.00810%0.099CC..Hα-helixtrans-94.8-40.3-177.900000114.8N171 I174 Y207 M208N171-A211 PolarHBondContact OD1-O 3.07Å; I174-A211 HydrophobicContact CG2-CB 4.15Å; Y207-A211 VanDerWaalsContact O-CB 3.25Å; Y207-A211 WeakPolarHBondContact O-CB 3.36Å; Y207-A211 PolarHBondContact O-N 3.12Å; Y207-A211 VanDerWaalsContact O-N 3.09Å; M208-A211 PolarHBondContact O-N 3.01Å; M208-A211 VanDerWaalsContact O-N 3.14Å
212W93.3Very high94.7Very high29 Ų2919.2 Ų19.211%0.1110%0.099CC..  trans-154.7137.6-172.4-171.562.6000114.4E172 A175 M208 G214 Y215 T412E172-W212 HydrophobicContact CG-CZ2 4.3Å; E172-W212 PolarHBondContact OE1-NE1 3.4Å; E172-W212 PolarHBondContact OE2-NE1 3.07Å; A175-W212 HydrophobicContact CB-CB 3.55Å; A175-W212 HydrophobicContact CB-CD2 3.68Å; A175-W212 HydrophobicContact CB-CE3 3.64Å; A175-W212 HydrophobicContact CB-CG 3.69Å; A175-W212 HydrophobicContact CB-CZ3 4.48Å; M208-W212 HydrophobicContact CE-CE3 3.63Å; M208-W212 HydrophobicContact CE-CZ3 4.15Å; M208-W212 PolarHBondContact O-N 2.59Å; W212-G214 VanDerWaalsContact CE3-CA 3.41Å; W212-G214 PolarHBondContact O-N 2.94Å; W212-Y215 PolarHBondContact O-N 3.46Å; W212-Y215 VanDerWaalsContact O-N 3.1Å; W212-T412 HydrophobicContact CH2-CG2 3.74Å; W212-T412 HydrophobicContact CZ3-CG2 4.12Å
213G88.8Confident94.6Very high16 Ų1619.2 Ų19.217%0.16510%0.099CC..THydrogen-bonded Turntrans-59.5-13.5178.900000115.8Y92 Y215 V216Y92-G213 VanDerWaalsContact CZ-CA 3.46Å; Y92-G213 WeakPolarHBondContact OH-CA 3.39Å; G213-Y215 PolarHBondContact O-N 3.34Å; G213-Y215 VanDerWaalsContact O-N 3.13Å; G213-V216 PolarHBondContact O-N 3.45Å
214G88.5Confident94.5Very high12 Ų1217.2 Ų17.212%0.1249%0.089CC..THydrogen-bonded Turntrans-69.22.8170.500000114.9W212 V216 F217W212-G214 VanDerWaalsContact CE3-CA 3.41Å; W212-G214 PolarHBondContact O-N 2.94Å; G214-V216 PolarHBondContact O-N 2.99Å; G214-F217 VanDerWaalsContact O-CB 3.29Å; G214-F217 WeakPolarHBondContact O-CB 3.21Å; G214-F217 PolarHBondContact O-N 3.45Å
215Y94.7Very high94.5Very high2 Ų216.9 Ų16.91%0.0089%0.086CC..Hα-helixtrans-54.2-29.3166.479-94.1000112.5Y92 Y205 V209 W212 G213 F217 I218 I219 V260 H270Y92-Y215 HydrophobicContact CE1-CD1 4.36Å; Y92-Y215 HydrophobicContact CE1-CE1 4.08Å; Y205-Y215 HydrophobicContact CE2-CD2 4.35Å; Y205-Y215 WeakPolarHBondContact OH-CD2 3.4Å; V209-Y215 HydrophobicContact CB-CD1 4.49Å; V209-Y215 HydrophobicContact CB-CG 4.21Å; V209-Y215 HydrophobicContact CG1-CD1 4.28Å; V209-Y215 HydrophobicContact CG1-CD2 4.41Å; V209-Y215 HydrophobicContact CG1-CE1 4.43Å; V209-Y215 HydrophobicContact CG1-CG 4.3Å; V209-Y215 HydrophobicContact CG2-CD1 4.44Å; V209-Y215 HydrophobicContact CG2-CD2 3.71Å; V209-Y215 HydrophobicContact CG2-CE2 4.44Å; V209-Y215 HydrophobicContact CG2-CG 3.7Å; W212-Y215 PolarHBondContact O-N 3.46Å; W212-Y215 VanDerWaalsContact O-N 3.1Å; G213-Y215 PolarHBondContact O-N 3.34Å; G213-Y215 VanDerWaalsContact O-N 3.13Å; Y215-F217 PolarHBondContact O-N 3.03Å; Y215-I218 WeakPolarHBondContact O-CB 3.3Å; Y215-I218 PolarHBondContact O-N 3.46Å; Y215-I219 PolarHBondContact O-N 3.35Å; Y215-V260 HydrophobicContact CE1-CG2 4.01Å; Y215-H270 AromaticContact CE2-NE2 3.34Å; Y215-H270 VanDerWaalsContact CE2-NE2 3.34Å; Y215-H270 WeakPolarHBondContact CE2-NE2 3.06Å
216V94Very high94.4Very high10 Ų1016.8 Ų16.86%0.0619%0.086CC..Hα-helixtrans-56.8-30.3173.2179.90000112.1G213 G214 N220 E269 F333G213-V216 PolarHBondContact O-N 3.45Å; G214-V216 PolarHBondContact O-N 2.99Å; V216-N220 PolarHBondContact O-N 2.86Å; V216-N220 PolarHBondContact O-ND2 3.27Å; V216-E269 HydrophobicContact CG1-CB 4.22Å; V216-F333 HydrophobicContact CB-CE1 4.32Å; V216-F333 HydrophobicContact CB-CE2 4.42Å; V216-F333 HydrophobicContact CB-CZ 3.84Å; V216-F333 HydrophobicContact CG1-CE1 4.2Å; V216-F333 HydrophobicContact CG1-CE2 4.22Å; V216-F333 HydrophobicContact CG1-CZ 3.92Å; V216-F333 HydrophobicContact CG2-CE2 4.16Å; V216-F333 HydrophobicContact CG2-CZ 3.9Å
217F93.9Very high94.2Very high35 Ų3517.6 Ų17.615%0.1549%0.09CC..Hα-helixtrans-71.2-40.3174.1-176.6-110.6000112.1L179 Y183 G214 Y215 N220 L221 Y395 A399 F402L179-F217 HydrophobicContact CD1-CD1 4.4Å; Y183-F217 WeakPolarHBondContact OH-CD1 3.36Å; Y183-F217 WeakPolarHBondContact OH-CE1 3.33Å; G214-F217 VanDerWaalsContact O-CB 3.29Å; G214-F217 WeakPolarHBondContact O-CB 3.21Å; G214-F217 PolarHBondContact O-N 3.45Å; Y215-F217 PolarHBondContact O-N 3.03Å; F217-N220 PolarHBondContact O-N 3.46Å; F217-L221 HydrophobicContact CE1-CD2 4.24Å; F217-L221 HydrophobicContact CZ-CD2 4.4Å; F217-L221 VanDerWaalsContact O-CB 3.27Å; F217-L221 WeakPolarHBondContact O-CB 3.18Å; F217-L221 PolarHBondContact O-N 2.99Å; F217-Y395 AromaticContact CE1-CD2 3.88Å; F217-Y395 HydrophobicContact CE1-CD2 3.88Å; F217-Y395 AromaticContact CE1-CE2 3.74Å; F217-Y395 HydrophobicContact CE1-CE2 3.74Å; F217-Y395 AromaticContact CZ-CD2 3.87Å; F217-Y395 HydrophobicContact CZ-CD2 3.87Å; F217-Y395 HydrophobicContact CZ-CE2 4.04Å; F217-A399 HydrophobicContact CZ-CB 4.47Å; F217-F402 HydrophobicContact CD2-CD2 4.31Å; F217-F402 HydrophobicContact CD2-CE2 4.25Å; F217-F402 AromaticContact CE2-CD2 3.9Å; F217-F402 HydrophobicContact CE2-CD2 3.9Å; F217-F402 HydrophobicContact CE2-CE2 4.02Å
218I95Very high94.1Very high0 Ų016.4 Ų16.40%09%0.089CC..Hα-helixtrans-64.9-48.2176.9-59.6-163.5000111L179 T182 Y183 Y205 M208 Y215 N220 L221 I222L179-I218 HydrophobicContact CB-CD1 4.39Å; L179-I218 HydrophobicContact CG-CD1 4.34Å; T182-I218 HydrophobicContact CG2-CD1 4.09Å; T182-I218 HydrophobicContact CG2-CG2 4.16Å; Y183-I218 HydrophobicContact CE1-CB 4.2Å; Y183-I218 HydrophobicContact CE1-CD1 3.99Å; Y183-I218 HydrophobicContact CE1-CG1 3.72Å; Y183-I218 HydrophobicContact CE1-CG2 4.02Å; Y205-I218 HydrophobicContact CD2-CB 4.27Å; Y205-I218 HydrophobicContact CD2-CG2 3.83Å; Y205-I218 HydrophobicContact CE2-CB 4.29Å; Y205-I218 HydrophobicContact CE2-CG2 4.19Å; M208-I218 HydrophobicContact CB-CD1 4.44Å; M208-I218 HydrophobicContact CE-CD1 4.07Å; M208-I218 HydrophobicContact CE-CG1 4.42Å; M208-I218 HydrophobicContact CG-CD1 3.78Å; M208-I218 HydrophobicContact SD-CD1 4.34Å; Y215-I218 WeakPolarHBondContact O-CB 3.3Å; Y215-I218 PolarHBondContact O-N 3.46Å; I218-N220 PolarHBondContact O-N 3.3Å; I218-L221 PolarHBondContact O-N 3.42Å; I218-I222 HydrophobicContact CG2-CD1 3.65Å; I218-I222 HydrophobicContact CG2-CG1 4.34Å; I218-I222 PolarHBondContact O-N 3.03Å
219I94.9Very high94Very high9 Ų916.4 Ų16.45%0.0469%0.089CC..Hα-helixtrans-73-9.4-175.9-16055.6000113.5Y205 Y215 P223 F246Y205-I219 HydrophobicContact CE2-CB 4.12Å; Y205-I219 WeakPolarHBondContact OH-CB 3.37Å; Y215-I219 PolarHBondContact O-N 3.35Å; I219-P223 WeakPolarHBondContact O-CD 3.5Å; I219-P223 WeakPolarHBondContact O-CG 3.45Å; I219-F246 HydrophobicContact CD1-CE1 4.26Å
220N95.1Very high93.7Very high40 Ų4017.7 Ų17.721%0.21410%0.095CC..Hα-helixtrans-97.8-37.2167.8-79.7-75.6000112.9V216 F217 I218 P223 L224 E269 A272V216-N220 PolarHBondContact O-N 2.86Å; V216-N220 PolarHBondContact O-ND2 3.27Å; F217-N220 PolarHBondContact O-N 3.46Å; I218-N220 PolarHBondContact O-N 3.3Å; N220-P223 WeakPolarHBondContact O-CD 3.4Å; N220-L224 VanDerWaalsContact O-CB 3.25Å; N220-L224 WeakPolarHBondContact O-CB 3.47Å; N220-L224 PolarHBondContact O-N 3.37Å; N220-L224 VanDerWaalsContact O-N 3.13Å; N220-E269 PolarHBondContact ND2-O 2.9Å; N220-E269 PolarHBondContact OD1-O 3.4Å; N220-A272 WeakPolarHBondContact OD1-CB 3.43Å
221L95.3Very high93.5Very high5 Ų522 Ų223%0.02612%0.121CC..Hα-helixtrans-69.3-39.5179.9-174.667.1000113.3Y183 F217 I218 L224 H225 F391 L394 Y395Y183-L221 HydrophobicContact CE1-CD2 4.29Å; Y183-L221 HydrophobicContact CE2-CD2 4.19Å; Y183-L221 WeakPolarHBondContact OH-CD2 3.27Å; F217-L221 HydrophobicContact CE1-CD2 4.24Å; F217-L221 HydrophobicContact CZ-CD2 4.4Å; F217-L221 VanDerWaalsContact O-CB 3.27Å; F217-L221 WeakPolarHBondContact O-CB 3.18Å; F217-L221 PolarHBondContact O-N 2.99Å; I218-L221 PolarHBondContact O-N 3.42Å; L221-L224 PolarHBondContact O-N 3.07Å; L221-H225 WeakPolarHBondContact O-CB 3.41Å; L221-H225 PolarHBondContact O-N 2.97Å; L221-F391 HydrophobicContact CD2-CE2 3.9Å; L221-F391 HydrophobicContact CD2-CZ 3.75Å; L221-F391 HydrophobicContact CG-CE2 3.93Å; L221-F391 HydrophobicContact CG-CZ 4.31Å; L221-L394 HydrophobicContact CD1-CB 4.15Å; L221-Y395 HydrophobicContact CD2-CD2 4.21Å; L221-Y395 HydrophobicContact CD2-CG 4.04Å
222I95.5Very high93.4Very high0 Ų025.3 Ų25.30%014%0.137CC..Hα-helixtrans-64.3-49.6179.1-72.5175.2000111.6W186 I218 L224 H225 I226 Y243 F246 F391W186-I222 HydrophobicContact CB-CD1 4.34Å; W186-I222 HydrophobicContact CD2-CD1 4.07Å; W186-I222 HydrophobicContact CD2-CG1 4.17Å; W186-I222 HydrophobicContact CD2-CG2 4.05Å; W186-I222 HydrophobicContact CE3-CD1 4.35Å; W186-I222 HydrophobicContact CE3-CG2 4.16Å; W186-I222 HydrophobicContact CG-CD1 4.01Å; W186-I222 HydrophobicContact CG-CG1 4.13Å; W186-I222 HydrophobicContact CH2-CG2 3.9Å; W186-I222 HydrophobicContact CZ2-CG2 3.74Å; W186-I222 HydrophobicContact CZ3-CG2 4.09Å; I218-I222 HydrophobicContact CG2-CD1 3.65Å; I218-I222 HydrophobicContact CG2-CG1 4.34Å; I218-I222 PolarHBondContact O-N 3.03Å; I222-L224 PolarHBondContact O-N 3.26Å; I222-H225 WeakPolarHBondContact O-CB 3.19Å; I222-H225 PolarHBondContact O-N 3.38Å; I222-I226 HydrophobicContact CG2-CD1 4.09Å; I222-I226 WeakPolarHBondContact O-CD1 3.46Å; I222-I226 PolarHBondContact O-N 3.11Å; I222-Y243 HydrophobicContact CG2-CD2 4Å; I222-Y243 HydrophobicContact CG2-CE2 3.99Å; I222-F246 HydrophobicContact CB-CE1 4.44Å; I222-F246 HydrophobicContact CD1-CE1 3.8Å; I222-F246 HydrophobicContact CD1-CE2 4.29Å; I222-F246 HydrophobicContact CD1-CZ 3.65Å; I222-F246 HydrophobicContact CG2-CD1 4.13Å; I222-F246 HydrophobicContact CG2-CE1 3.96Å; I222-F391 HydrophobicContact CG1-CE2 4.11Å
223P95Very high93.1Very high1 Ų132 Ų321%0.00617%0.17CC..Hα-helixtrans-61.7-39.8173.8-25.936.4000113.5I219 N220 H225 I226 F227 Y243 V276I219-P223 WeakPolarHBondContact O-CD 3.5Å; I219-P223 WeakPolarHBondContact O-CG 3.45Å; N220-P223 WeakPolarHBondContact O-CD 3.4Å; P223-H225 VanDerWaalsContact C-N 3.33Å; P223-H225 PolarHBondContact O-N 2.95Å; P223-I226 PolarHBondContact O-N 3.5Å; P223-F227 WeakPolarHBondContact O-CB 3.32Å; P223-F227 PolarHBondContact O-N 2.97Å; P223-Y243 HydrophobicContact CG-CE2 4.23Å; P223-Y243 WeakPolarHBondContact CG-OH 3.35Å; P223-V276 HydrophobicContact CB-CB 3.89Å; P223-V276 HydrophobicContact CB-CG1 4.16Å; P223-V276 HydrophobicContact CB-CG2 3.85Å
224L95.1Very high93Very high48 Ų4835.6 Ų35.625%0.25118%0.178SC..Hα-helixtrans-59.6-43.5176.4175.963.3000111.7N220 L221 I222 I226 F227 V228 L394 F398N220-L224 VanDerWaalsContact O-CB 3.25Å; N220-L224 WeakPolarHBondContact O-CB 3.47Å; N220-L224 PolarHBondContact O-N 3.37Å; N220-L224 VanDerWaalsContact O-N 3.13Å; L221-L224 PolarHBondContact O-N 3.07Å; I222-L224 PolarHBondContact O-N 3.26Å; L224-I226 VanDerWaalsContact C-N 3.34Å; L224-I226 PolarHBondContact O-N 3.42Å; L224-F227 PolarHBondContact O-N 2.93Å; L224-V228 HydrophobicContact CD1-CG2 4.22Å; L224-V228 WeakPolarHBondContact O-CG2 3.11Å; L224-V228 PolarHBondContact O-N 3.31Å; L224-L394 HydrophobicContact CG-CD1 4.49Å; L224-F398 HydrophobicContact CD2-CD2 3.87Å; L224-F398 HydrophobicContact CD2-CE1 4.37Å; L224-F398 HydrophobicContact CD2-CE2 3.49Å; L224-F398 VanDerWaalsContact CD2-CE2 3.49Å; L224-F398 HydrophobicContact CD2-CG 4.48Å; L224-F398 HydrophobicContact CD2-CZ 3.76Å
225H95.4Very high93.1Very high2 Ų237.7 Ų37.71%0.00918%0.183CC..Hα-helixtrans-57.8-45.2174.4165-126.1000112.3W186 L221 I222 P223 V228 L229 D387 F391 L394W186-H225 AromaticContact CE2-ND1 3.88Å; W186-H225 AromaticContact CZ2-ND1 3.92Å; W186-H225 AromaticContact NE1-CE1 3.8Å; W186-H225 AromaticContact NE1-ND1 3.22Å; W186-H225 PolarHBondContact NE1-ND1 3.17Å; L221-H225 WeakPolarHBondContact O-CB 3.41Å; L221-H225 PolarHBondContact O-N 2.97Å; I222-H225 WeakPolarHBondContact O-CB 3.19Å; I222-H225 PolarHBondContact O-N 3.38Å; P223-H225 VanDerWaalsContact C-N 3.33Å; P223-H225 PolarHBondContact O-N 2.95Å; H225-V228 PolarHBondContact O-N 3.05Å; H225-L229 WeakPolarHBondContact NE2-CD1 3.43Å; H225-L229 WeakPolarHBondContact O-CG 3.29Å; H225-L229 PolarHBondContact O-N 2.85Å; H225-D387 PolarHBondContact NE2-O 2.94Å; H225-F391 HydrophobicContact CB-CB 4.46Å; H225-F391 HydrophobicContact CB-CD2 3.78Å; H225-F391 PolarHBondContact CD2-N 2.99Å; H225-F391 AromaticContact CG-CD2 3.76Å; H225-F391 AromaticContact ND1-CD2 3.81Å; H225-L394 HydrophobicContact CB-CD1 4.2Å
226I94.4Very high92.8Very high0 Ų039.6 Ų39.60%020%0.197CC..Hα-helixtrans-66.1-44.1177.4-65.4151.9000111W186 I222 P223 L224 V228 L229 L230 L239 Y243 V276 L280W186-I226 HydrophobicContact CH2-CD1 3.88Å; W186-I226 HydrophobicContact CH2-CG1 4.38Å; W186-I226 HydrophobicContact CZ2-CD1 3.89Å; W186-I226 HydrophobicContact CZ2-CG1 4.03Å; I222-I226 HydrophobicContact CG2-CD1 4.09Å; I222-I226 WeakPolarHBondContact O-CD1 3.46Å; I222-I226 PolarHBondContact O-N 3.11Å; P223-I226 PolarHBondContact O-N 3.5Å; L224-I226 VanDerWaalsContact C-N 3.34Å; L224-I226 PolarHBondContact O-N 3.42Å; I226-V228 VanDerWaalsContact C-N 3.32Å; I226-V228 PolarHBondContact O-N 3.3Å; I226-L229 PolarHBondContact O-N 2.86Å; I226-L229 VanDerWaalsContact O-N 3.16Å; I226-L230 HydrophobicContact CG2-CD1 4.29Å; I226-L230 HydrophobicContact CG2-CG 4.4Å; I226-L230 WeakPolarHBondContact O-CG 3.42Å; I226-L230 PolarHBondContact O-N 3.49Å; I226-L239 HydrophobicContact CG1-CD1 4.02Å; I226-L239 HydrophobicContact CG1-CG 4.38Å; I226-L239 HydrophobicContact CG2-CD2 4.24Å; I226-Y243 HydrophobicContact CD1-CD1 3.9Å; I226-Y243 HydrophobicContact CD1-CD2 3.09Å; I226-Y243 HydrophobicContact CD1-CE1 4.32Å; I226-Y243 HydrophobicContact CD1-CE2 3.62Å; I226-Y243 HydrophobicContact CD1-CG 3.25Å; I226-V276 HydrophobicContact CB-CG1 4.06Å; I226-V276 HydrophobicContact CG2-CG1 3.82Å; I226-L280 HydrophobicContact CG2-CD1 4.21Å; I226-L280 HydrophobicContact CG2-CD2 4.31Å
227F93.7Very high92.7Very high86 Ų8642.3 Ų42.338%0.37722%0.22SC..Hα-helixtrans-58-44.4176.6-178.6-101.1000111.5P223 L224 L230 V231 V276 L279P223-F227 WeakPolarHBondContact O-CB 3.32Å; P223-F227 PolarHBondContact O-N 2.97Å; L224-F227 PolarHBondContact O-N 2.93Å; F227-L230 WeakPolarHBondContact O-CB 3.44Å; F227-L230 PolarHBondContact O-N 2.87Å; F227-V231 HydrophobicContact CD1-CG2 4.37Å; F227-V231 HydrophobicContact CE1-CG2 4.01Å; F227-V231 HydrophobicContact CZ-CG2 4.12Å; F227-V231 WeakPolarHBondContact O-CG2 3.44Å; F227-V231 PolarHBondContact O-N 2.95Å; F227-V276 HydrophobicContact CB-CG2 4.1Å; F227-L279 HydrophobicContact CD2-CD2 3.92Å; F227-L279 HydrophobicContact CE2-CD2 4.04Å
228V93.9Very high92.8Very high37 Ų3745.5 Ų45.522%0.22423%0.234CC..Hα-helixtrans-65.6-40.1175.4173.70000111.5L224 H225 I226 L230 V231 M232 V390 L394L224-V228 HydrophobicContact CD1-CG2 4.22Å; L224-V228 WeakPolarHBondContact O-CG2 3.11Å; L224-V228 PolarHBondContact O-N 3.31Å; H225-V228 PolarHBondContact O-N 3.05Å; I226-V228 VanDerWaalsContact C-N 3.32Å; I226-V228 PolarHBondContact O-N 3.3Å; V228-L230 VanDerWaalsContact C-N 3.33Å; V228-L230 PolarHBondContact O-N 3.25Å; V228-V231 PolarHBondContact O-N 3.47Å; V228-M232 HydrophobicContact CG1-CG 4.35Å; V228-M232 HydrophobicContact CG1-SD 3.95Å; V228-M232 WeakPolarHBondContact O-CB 3.48Å; V228-M232 VanDerWaalsContact O-CG 3.25Å; V228-M232 WeakPolarHBondContact O-CG 3.46Å; V228-M232 PolarHBondContact O-N 3.13Å; V228-V390 HydrophobicContact CB-CG1 4.35Å; V228-V390 HydrophobicContact CG1-CG1 3.67Å; V228-L394 HydrophobicContact CB-CD1 3.99Å; V228-L394 HydrophobicContact CG1-CD1 4.29Å; V228-L394 HydrophobicContact CG2-CD1 3.95Å; V228-L394 HydrophobicContact CG2-CD2 4.15Å
229L93.2Very high92.7Very high1 Ų145.6 Ų45.61%0.00523%0.234CC..Hα-helixtrans-62.7-36.9172.7-71.8179.9000112.8H225 I226 M232 Q233 R234 L239 D387 V390H225-L229 WeakPolarHBondContact NE2-CD1 3.43Å; H225-L229 WeakPolarHBondContact O-CG 3.29Å; H225-L229 PolarHBondContact O-N 2.85Å; I226-L229 PolarHBondContact O-N 2.86Å; I226-L229 VanDerWaalsContact O-N 3.16Å; L229-M232 CarbonylContact O-C 3.58Å; L229-M232 PolarHBondContact O-N 3.11Å; L229-Q233 PolarHBondContact O-N 2.87Å; L229-R234 HydrophobicContact CD2-CB 4.15Å; L229-R234 PolarHBondContact O-N 2.7Å; L229-L239 HydrophobicContact CB-CD2 4.04Å; L229-L239 HydrophobicContact CD1-CD1 3.82Å; L229-L239 HydrophobicContact CD1-CD2 3.76Å; L229-L239 HydrophobicContact CD1-CG 4.46Å; L229-D387 HydrophobicContact CD1-CB 4.2Å; L229-D387 HydrophobicContact CD2-CB 4.02Å; L229-V390 HydrophobicContact CD2-CB 4.17Å; L229-V390 HydrophobicContact CD2-CG1 4.29Å; L229-V390 HydrophobicContact CD2-CG2 4.05Å
230L90.6Very high92.7Very high26 Ų2648.2 Ų48.214%0.13624%0.244CC..Hα-helixtrans-64.7-44.7173.9-69.8177.2000111.6I226 F227 V228 Q233 Y235 L279 L280 V283I226-L230 HydrophobicContact CG2-CD1 4.29Å; I226-L230 HydrophobicContact CG2-CG 4.4Å; I226-L230 WeakPolarHBondContact O-CG 3.42Å; I226-L230 PolarHBondContact O-N 3.49Å; F227-L230 WeakPolarHBondContact O-CB 3.44Å; F227-L230 PolarHBondContact O-N 2.87Å; V228-L230 VanDerWaalsContact C-N 3.33Å; V228-L230 PolarHBondContact O-N 3.25Å; L230-Q233 WeakPolarHBondContact O-CA 3.46Å; L230-Q233 PolarHBondContact O-N 3.34Å; L230-Y235 HydrophobicContact CD2-CD2 3.88Å; L230-L279 HydrophobicContact CD1-CD2 4.15Å; L230-L279 HydrophobicContact CD1-CG 4.23Å; L230-L280 HydrophobicContact CD1-CD1 4.19Å; L230-L280 HydrophobicContact CD2-CD1 3.98Å; L230-L280 HydrophobicContact CG-CD1 4.47Å; L230-V283 HydrophobicContact CD2-CB 4.42Å; L230-V283 HydrophobicContact CD2-CG1 3.97Å; L230-V283 HydrophobicContact CD2-CG2 4.46Å
231V90.1Very high92.7Very high101 Ų10148.4 Ų48.461%0.61225%0.246SC*.Hα-helixtrans-63.7-39.3175.4171.50000111.5F227 V228 Q233F227-V231 HydrophobicContact CD1-CG2 4.37Å; F227-V231 HydrophobicContact CE1-CG2 4.01Å; F227-V231 HydrophobicContact CZ-CG2 4.12Å; F227-V231 WeakPolarHBondContact O-CG2 3.44Å; F227-V231 PolarHBondContact O-N 2.95Å; V228-V231 PolarHBondContact O-N 3.47Å; V231-Q233 PolarHBondContact O-N 2.83Å; V231-Q233 VanDerWaalsContact O-N 3.13Å
232M90.5Very high92.7Very high72 Ų7248.1 Ų48.136%0.35525%0.245SC..THydrogen-bonded Turntrans-70.63.7171.3-67.917678.600113.8V228 L229 R234 V390V228-M232 HydrophobicContact CG1-CG 4.35Å; V228-M232 HydrophobicContact CG1-SD 3.95Å; V228-M232 WeakPolarHBondContact O-CB 3.48Å; V228-M232 VanDerWaalsContact O-CG 3.25Å; V228-M232 WeakPolarHBondContact O-CG 3.46Å; V228-M232 PolarHBondContact O-N 3.13Å; L229-M232 CarbonylContact O-C 3.58Å; L229-M232 PolarHBondContact O-N 3.11Å; M232-R234 HydrophobicContact CB-CG 4.31Å; M232-R234 PolarHBondContact O-N 3.14Å; M232-R234 VanDerWaalsContact O-N 3.1Å; M232-V390 HydrophobicContact CE-CG2 4.05Å; M232-V390 HydrophobicContact SD-CG1 4.13Å; M232-V390 HydrophobicContact SD-CG2 3.82Å
233Q86.5Confident92.7Very high170 Ų17048.1 Ų48.179%0.79425%0.245SC*.THydrogen-bonded Turntrans59.712.9-176.3-52.1-171.78.300115.2L229 L230 V231 Y235L229-Q233 PolarHBondContact O-N 2.87Å; L230-Q233 WeakPolarHBondContact O-CA 3.46Å; L230-Q233 PolarHBondContact O-N 3.34Å; V231-Q233 PolarHBondContact O-N 2.83Å; V231-Q233 VanDerWaalsContact O-N 3.13Å; Q233-Y235 PolarHBondContact O-N 3.04Å
234R88.6Confident92.8Very high90 Ų9048.9 Ų48.934%0.3425%0.25SC..  trans-83.646.8179.7-70-179.4169.8-136.39.5112.4L229 M232 L385 D387L229-R234 HydrophobicContact CD2-CB 4.15Å; L229-R234 PolarHBondContact O-N 2.7Å; M232-R234 HydrophobicContact CB-CG 4.31Å; M232-R234 PolarHBondContact O-N 3.14Å; M232-R234 VanDerWaalsContact O-N 3.1Å; R234-L385 PolarHBondContact NH1-O 3.12Å; R234-L385 VanDerWaalsContact NH1-O 3.07Å; R234-L385 PolarHBondContact NH2-O 2.98Å; R234-D387 WeakPolarHBondContact CD-OD1 3.17Å; R234-D387 IonicContact CZ-OD1 3.88Å; R234-D387 IonicContact NE-OD1 2.67Å; R234-D387 IonicContact NH1-OD1 3.72Å; R234-D387 PolarHBondContact NH1-OD1 3.35Å
235Y89Confident92.8Very high57 Ų5748 Ų4822%0.22425%0.246CC..  trans-70.9131.9172.3175.3-94.3000111L230 Q233 L280 V283 A284 K287L230-Y235 HydrophobicContact CD2-CD2 3.88Å; Q233-Y235 PolarHBondContact O-N 3.04Å; Y235-L280 HydrophobicContact CD2-CD1 4.05Å; Y235-L280 HydrophobicContact CE2-CD1 3.84Å; Y235-V283 HydrophobicContact CD2-CG1 3.91Å; Y235-V283 HydrophobicContact CE2-CG1 4.35Å; Y235-V283 HydrophobicContact CG-CG1 4.19Å; Y235-A284 HydrophobicContact CE2-CB 4.43Å; Y235-A284 VanDerWaalsContact OH-CB 3.31Å; Y235-A284 WeakPolarHBondContact OH-CB 3.49Å; Y235-K287 HydrophobicContact CD1-CB 4.39Å; Y235-K287 HydrophobicContact CD1-CD 4.14Å; Y235-K287 HydrophobicContact CD1-CG 3.76Å; Y235-K287 HydrophobicContact CE1-CB 4.06Å; Y235-K287 HydrophobicContact CE1-CG 3.92Å; Y235-K287 HydrophobicContact CG-CG 4.42Å
236S89.9Confident92.8Very high42 Ų4247.9 Ų47.929%0.29425%0.246SC..  trans-139.2144177.7176.80000110.6K238 L239 Y240S236-K238 PolarHBondContact O-N 3.01Å; S236-K238 PolarHBondContact OG-N 3.09Å; S236-L239 WeakPolarHBondContact O-CB 3.47Å; S236-L239 PolarHBondContact O-N 3.03Å; S236-Y240 PolarHBondContact O-N 3.21Å; S236-Y240 VanDerWaalsContact O-N 3.15Å
237A92.1Very high92.9Very high67 Ų6748.5 Ų48.555%0.55425%0.249SC*.Hα-helixtrans-58.8-28.2174.100000112.5Y240 V241A237-Y240 PolarHBondContact O-N 2.68Å; A237-V241 WeakPolarHBondContact O-CG2 3.29Å; A237-V241 PolarHBondContact O-N 3.15Å
238K94.1Very high93Very high101 Ų10148 Ų4844%0.43925%0.249SC..Hα-helixtrans-61.6-43.2172.3-62.9-174175.4-179.70112.1K191 S236 V241 A242K191-K238 WeakPolarHBondContact O-CD 3.23Å; K191-K238 PolarHBondContact O-NZ 3.28Å; S236-K238 PolarHBondContact O-N 3.01Å; S236-K238 PolarHBondContact OG-N 3.09Å; K238-V241 PolarHBondContact O-N 2.88Å; K238-A242 VanDerWaalsContact O-CB 3.25Å; K238-A242 WeakPolarHBondContact O-CB 3.42Å; K238-A242 PolarHBondContact O-N 2.83Å
239L93.4Very high93.1Very high3 Ų349.1 Ų49.12%0.01625%0.254CS..Hα-helixtrans-67.6-41.3-179.8-170.669.4000110.9V190 I226 L229 S236 A242 Y243V190-L239 HydrophobicContact CG1-CD1 4.18Å; V190-L239 HydrophobicContact CG2-CD1 4.1Å; I226-L239 HydrophobicContact CG1-CD1 4.02Å; I226-L239 HydrophobicContact CG1-CG 4.38Å; I226-L239 HydrophobicContact CG2-CD2 4.24Å; L229-L239 HydrophobicContact CB-CD2 4.04Å; L229-L239 HydrophobicContact CD1-CD1 3.82Å; L229-L239 HydrophobicContact CD1-CD2 3.76Å; L229-L239 HydrophobicContact CD1-CG 4.46Å; S236-L239 WeakPolarHBondContact O-CB 3.47Å; S236-L239 PolarHBondContact O-N 3.03Å; L239-A242 PolarHBondContact O-N 2.99Å; L239-Y243 PolarHBondContact O-N 3.37Å
240Y95Very high93.2Very high63 Ų6349.1 Ų49.125%0.24725%0.254CS..Hα-helixtrans-57-55.3172.4177.1-91.6000111.5S236 A237 A242 Y243 T244 L280 Q281 A284S236-Y240 PolarHBondContact O-N 3.21Å; S236-Y240 VanDerWaalsContact O-N 3.15Å; A237-Y240 PolarHBondContact O-N 2.68Å; Y240-A242 PolarHBondContact O-N 3.19Å; Y240-Y243 PolarHBondContact O-N 2.73Å; Y240-T244 VanDerWaalsContact O-CB 3.25Å; Y240-T244 WeakPolarHBondContact O-CB 3.44Å; Y240-T244 PolarHBondContact O-N 3.19Å; Y240-T244 PolarHBondContact O-OG1 2.9Å; Y240-L280 HydrophobicContact CD2-CD2 4.39Å; Y240-L280 HydrophobicContact CD2-CG 4.15Å; Y240-Q281 PolarHBondContact OH-NE2 3.32Å; Y240-Q281 VanDerWaalsContact OH-NE2 3.11Å; Y240-Q281 PolarHBondContact OH-OE1 3.06Å; Y240-Q281 VanDerWaalsContact OH-OE1 3.11Å; Y240-A284 HydrophobicContact CD2-CB 3.61Å; Y240-A284 HydrophobicContact CE2-CB 3.74Å; Y240-A284 HydrophobicContact CG-CB 4.45Å
241V95.5Very high93.4Very high44 Ų4449.5 Ų49.527%0.26726%0.256SS..Hα-helixtrans-60-45.4179.4172.90000111.5V195 A237 K238 T245V195-V241 HydrophobicContact CG2-CG1 3.69Å; A237-V241 WeakPolarHBondContact O-CG2 3.29Å; A237-V241 PolarHBondContact O-N 3.15Å; K238-V241 PolarHBondContact O-N 2.88Å; V241-T245 WeakPolarHBondContact O-CB 3.29Å; V241-T245 PolarHBondContact O-N 3.49Å; V241-T245 PolarHBondContact O-OG1 2.8Å
242A95.2Very high93.7Very high0 Ų049.3 Ų49.30%025%0.25CS..Hα-helixtrans-60.4-49.8-179.400000112.3W186 A189 V190 A198 K238 L239 Y240 F246W186-A242 HydrophobicContact CH2-CB 4.32Å; W186-A242 HydrophobicContact CZ3-CB 4.2Å; A189-A242 HydrophobicContact CB-CB 4.1Å; V190-A242 HydrophobicContact CG2-CB 4.43Å; A198-A242 WeakPolarHBondContact CB-O 3.47Å; K238-A242 VanDerWaalsContact O-CB 3.25Å; K238-A242 WeakPolarHBondContact O-CB 3.42Å; K238-A242 PolarHBondContact O-N 2.83Å; L239-A242 PolarHBondContact O-N 2.99Å; Y240-A242 PolarHBondContact O-N 3.19Å; A242-F246 WeakPolarHBondContact O-CB 3.29Å; A242-F246 PolarHBondContact O-N 3.25Å; A242-F246 VanDerWaalsContact O-N 3.11Å
243Y95.8Very high93.9Very high0 Ų048.3 Ų48.30%025%0.245CC..Hα-helixtrans-73.8-44-178.6-173.1-120.9000113.2W186 I222 P223 I226 L239 Y240 T245 F246 F247 S273 V276 F277 L280W186-Y243 HydrophobicContact CH2-CD2 4.2Å; I222-Y243 HydrophobicContact CG2-CD2 4Å; I222-Y243 HydrophobicContact CG2-CE2 3.99Å; P223-Y243 HydrophobicContact CG-CE2 4.23Å; P223-Y243 WeakPolarHBondContact CG-OH 3.35Å; I226-Y243 HydrophobicContact CD1-CD1 3.9Å; I226-Y243 HydrophobicContact CD1-CD2 3.09Å; I226-Y243 HydrophobicContact CD1-CE1 4.32Å; I226-Y243 HydrophobicContact CD1-CE2 3.62Å; I226-Y243 HydrophobicContact CD1-CG 3.25Å; L239-Y243 PolarHBondContact O-N 3.37Å; Y240-Y243 PolarHBondContact O-N 2.73Å; Y243-T245 VanDerWaalsContact C-N 3.32Å; Y243-T245 PolarHBondContact O-N 3.43Å; Y243-F246 HydrophobicContact CD2-CD1 4.16Å; Y243-F246 HydrophobicContact CE2-CD1 4.3Å; Y243-F246 PolarHBondContact O-N 3.49Å; Y243-F247 HydrophobicContact CD2-CB 4.44Å; Y243-F247 HydrophobicContact CE1-CB 4.31Å; Y243-F247 HydrophobicContact CE2-CB 4.15Å; Y243-F247 VanDerWaalsContact O-CB 3.29Å; Y243-F247 WeakPolarHBondContact O-CB 3.33Å; Y243-F247 PolarHBondContact O-N 3.32Å; Y243-S273 WeakPolarHBondContact OH-CA 3.23Å; Y243-S273 PolarHBondContact OH-O 3.36Å; Y243-V276 HydrophobicContact CE1-CG1 4.17Å; Y243-F277 HydrophobicContact CD1-CD2 4.48Å; Y243-F277 HydrophobicContact CE1-CB 3.87Å; Y243-F277 HydrophobicContact CE1-CD2 4.26Å; Y243-L280 HydrophobicContact CD1-CD2 3.64Å; Y243-L280 HydrophobicContact CG-CD2 4.22Å
244T95.9Very high94.3Very high17 Ų1740.2 Ų40.210%0.10421%0.208CC..Hα-helixtrans-60.9-42-177.5-62.30000111.4Y240 I248 F277Y240-T244 VanDerWaalsContact O-CB 3.25Å; Y240-T244 WeakPolarHBondContact O-CB 3.44Å; Y240-T244 PolarHBondContact O-N 3.19Å; Y240-T244 PolarHBondContact O-OG1 2.9Å; T244-I248 HydrophobicContact CG2-CD1 3.95Å; T244-I248 WeakPolarHBondContact O-CD1 3.47Å; T244-I248 VanDerWaalsContact O-CG1 3.29Å; T244-I248 WeakPolarHBondContact O-CG1 3.2Å; T244-I248 PolarHBondContact O-N 3.36Å; T244-F277 HydrophobicContact CG2-CE2 4.09Å
245T95.6Very high94.5Very high29 Ų2937.9 Ų37.918%0.17820%0.201CC..Hα-helixtrans-67.9-45.6173.3-64.10000112.2V195 A198 A199 V241 Y243 L249V195-T245 HydrophobicContact CG1-CG2 3.91Å; A198-T245 HydrophobicContact CB-CG2 3.74Å; A199-T245 HydrophobicContact CB-CG2 4.43Å; V241-T245 WeakPolarHBondContact O-CB 3.29Å; V241-T245 PolarHBondContact O-N 3.49Å; V241-T245 PolarHBondContact O-OG1 2.8Å; Y243-T245 VanDerWaalsContact C-N 3.32Å; Y243-T245 PolarHBondContact O-N 3.43Å; T245-L249 HydrophobicContact CG2-CD1 3.78Å; T245-L249 WeakPolarHBondContact O-CB 3.49Å; T245-L249 WeakPolarHBondContact O-CG 3.43Å; T245-L249 PolarHBondContact O-N 3.25Å
246F96.6Very high94.8Very high0 Ų041 Ų410%022%0.217CC..Hα-helixtrans-59.8-49.4180169.7-101.9000112.2W186 C201 A202 Y205 I219 I222 A242 Y243 G250W186-F246 HydrophobicContact CE3-CG 4.44Å; W186-F246 HydrophobicContact CZ3-CB 4.15Å; W186-F246 HydrophobicContact CZ3-CD1 4.44Å; W186-F246 HydrophobicContact CZ3-CG 4.32Å; C201-F246 HydrophobicContact CB-CD2 4.07Å; A202-F246 HydrophobicContact CB-CD2 4.35Å; Y205-F246 HydrophobicContact CD1-CE2 4.49Å; Y205-F246 HydrophobicContact CD1-CZ 4.38Å; Y205-F246 HydrophobicContact CD2-CZ 4.24Å; Y205-F246 HydrophobicContact CG-CE2 4.08Å; Y205-F246 HydrophobicContact CG-CZ 4.01Å; I219-F246 HydrophobicContact CD1-CE1 4.26Å; I222-F246 HydrophobicContact CB-CE1 4.44Å; I222-F246 HydrophobicContact CD1-CE1 3.8Å; I222-F246 HydrophobicContact CD1-CE2 4.29Å; I222-F246 HydrophobicContact CD1-CZ 3.65Å; I222-F246 HydrophobicContact CG2-CD1 4.13Å; I222-F246 HydrophobicContact CG2-CE1 3.96Å; A242-F246 WeakPolarHBondContact O-CB 3.29Å; A242-F246 PolarHBondContact O-N 3.25Å; A242-F246 VanDerWaalsContact O-N 3.11Å; Y243-F246 HydrophobicContact CD2-CD1 4.16Å; Y243-F246 HydrophobicContact CE2-CD1 4.3Å; Y243-F246 PolarHBondContact O-N 3.49Å; F246-G250 WeakPolarHBondContact O-CA 3.12Å; F246-G250 PolarHBondContact O-N 2.85Å
247F95.6Very high95Very high13 Ų1339.4 Ų39.46%0.05721%0.206CC..Hα-helixtrans-64.5-49.6-176174.3-100.2000112Y243 L249 L251 S273 I274 F277Y243-F247 HydrophobicContact CD2-CB 4.44Å; Y243-F247 HydrophobicContact CE1-CB 4.31Å; Y243-F247 HydrophobicContact CE2-CB 4.15Å; Y243-F247 VanDerWaalsContact O-CB 3.29Å; Y243-F247 WeakPolarHBondContact O-CB 3.33Å; Y243-F247 PolarHBondContact O-N 3.32Å; F247-L249 PolarHBondContact O-N 3.44Å; F247-L251 HydrophobicContact CE1-CD2 4.17Å; F247-L251 HydrophobicContact CZ-CD2 3.94Å; F247-L251 WeakPolarHBondContact O-CB 3.4Å; F247-L251 PolarHBondContact O-N 2.97Å; F247-S273 WeakPolarHBondContact CE2-OG 3.46Å; F247-I274 HydrophobicContact CE2-CG1 4.23Å; F247-I274 HydrophobicContact CZ-CG1 3.83Å; F247-F277 HydrophobicContact CB-CD2 4.17Å; F247-F277 HydrophobicContact CD1-CB 4.01Å; F247-F277 HydrophobicContact CD1-CD1 4.18Å; F247-F277 AromaticContact CD1-CD2 3.22Å; F247-F277 HydrophobicContact CD1-CD2 3.22Å; F247-F277 HydrophobicContact CD1-CE1 4.48Å; F247-F277 AromaticContact CD1-CE2 3.58Å; F247-F277 HydrophobicContact CD1-CE2 3.58Å; F247-F277 AromaticContact CD1-CG 3.54Å; F247-F277 HydrophobicContact CD1-CG 3.54Å; F247-F277 HydrophobicContact CD1-CZ 4.21Å; F247-F277 HydrophobicContact CE1-CB 3.95Å; F247-F277 AromaticContact CE1-CD1 3.87Å; F247-F277 HydrophobicContact CE1-CD1 3.87Å; F247-F277 AromaticContact CE1-CD2 3.78Å; F247-F277 HydrophobicContact CE1-CD2 3.78Å; F247-F277 HydrophobicContact CE1-CE1 4.29Å; F247-F277 HydrophobicContact CE1-CE2 4.19Å; F247-F277 AromaticContact CE1-CG 3.59Å; F247-F277 HydrophobicContact CE1-CG 3.59Å; F247-F277 HydrophobicContact CE1-CZ 4.43Å; F247-F277 HydrophobicContact CG-CB 4.36Å; F247-F277 AromaticContact CG-CD2 3.86Å; F247-F277 HydrophobicContact CG-CD2 3.86Å; F247-F277 HydrophobicContact CG-CE2 4.47Å; F247-F277 HydrophobicContact CG-CG 4.27Å; F247-F277 HydrophobicContact CZ-CB 4.26Å; F247-F277 HydrophobicContact CZ-CG 4.37Å
248I96Very high95Very high75 Ų7538.8 Ų38.839%0.38520%0.196SC..Hα-helixtrans-63.3-47-177.2-65.6171.4000110.9T244 I252 F277T244-I248 HydrophobicContact CG2-CD1 3.95Å; T244-I248 WeakPolarHBondContact O-CD1 3.47Å; T244-I248 VanDerWaalsContact O-CG1 3.29Å; T244-I248 WeakPolarHBondContact O-CG1 3.2Å; T244-I248 PolarHBondContact O-N 3.36Å; I248-I252 HydrophobicContact CG2-CD1 4.07Å; I248-I252 WeakPolarHBondContact O-CD1 3.42Å; I248-I252 WeakPolarHBondContact O-CG1 3.37Å; I248-I252 PolarHBondContact O-N 3.14Å; I248-F277 HydrophobicContact CD1-CE2 4.23Å; I248-F277 HydrophobicContact CD1-CZ 4.17Å; I248-F277 HydrophobicContact CG1-CE2 4.09Å; I248-F277 HydrophobicContact CG1-CZ 4.21Å
249L96.1Very high94.9Very high61 Ų6137.4 Ų37.432%0.31919%0.19SC..Hα-helixtrans-69.4-46.5179.4-66.6175.9000111.6A199 A202 T245 F247 L251 I252 M253A199-L249 HydrophobicContact CB-CD1 3.87Å; A202-L249 HydrophobicContact CB-CB 3.56Å; A202-L249 HydrophobicContact CB-CD1 4.4Å; T245-L249 HydrophobicContact CG2-CD1 3.78Å; T245-L249 WeakPolarHBondContact O-CB 3.49Å; T245-L249 WeakPolarHBondContact O-CG 3.43Å; T245-L249 PolarHBondContact O-N 3.25Å; F247-L249 PolarHBondContact O-N 3.44Å; L249-L251 VanDerWaalsContact C-N 3.33Å; L249-L251 PolarHBondContact O-N 3.3Å; L249-I252 PolarHBondContact O-N 3.07Å; L249-M253 VanDerWaalsContact O-CB 3.3Å; L249-M253 WeakPolarHBondContact O-CB 3.41Å; L249-M253 WeakPolarHBondContact O-CG 3.29Å; L249-M253 PolarHBondContact O-N 2.79Å
250G94.9Very high94.8Very high1 Ų137.4 Ų37.41%0.0119%0.19CC..Hα-helixtrans-61.9-38.4-179.900000112.8F246 S254F246-G250 WeakPolarHBondContact O-CA 3.12Å; F246-G250 PolarHBondContact O-N 2.85Å; G250-S254 VanDerWaalsContact O-CB 3.22Å; G250-S254 WeakPolarHBondContact O-CB 3.41Å; G250-S254 PolarHBondContact O-N 3.27Å; G250-S254 PolarHBondContact O-OG 3.3Å
251L94.8Very high94.7Very high34 Ų3435.2 Ų35.218%0.17819%0.187CC..Hα-helixtrans-62.3-56174.8-176.266.4000111F247 L249 M253 S254 M255 P264F247-L251 HydrophobicContact CE1-CD2 4.17Å; F247-L251 HydrophobicContact CZ-CD2 3.94Å; F247-L251 WeakPolarHBondContact O-CB 3.4Å; F247-L251 PolarHBondContact O-N 2.97Å; L249-L251 VanDerWaalsContact C-N 3.33Å; L249-L251 PolarHBondContact O-N 3.3Å; L251-M253 VanDerWaalsContact C-N 3.31Å; L251-M253 PolarHBondContact O-N 2.87Å; L251-S254 PolarHBondContact O-N 3.21Å; L251-S254 PolarHBondContact O-OG 3.44Å; L251-M255 HydrophobicContact CD1-CE 3.67Å; L251-M255 HydrophobicContact CD2-CE 4.34Å; L251-M255 HydrophobicContact CG-CE 3.71Å; L251-M255 WeakPolarHBondContact O-CG 3.36Å; L251-M255 PolarHBondContact O-N 2.81Å; L251-P264 HydrophobicContact CD1-CB 3.54Å
252I96Very high94.6Very high96 Ų9639.4 Ų39.449%0.49220%0.202SC..Hα-helixtrans-60.5-40.3-178.8-66.3168.2000111.4I248 L249 Q256I248-I252 HydrophobicContact CG2-CD1 4.07Å; I248-I252 WeakPolarHBondContact O-CD1 3.42Å; I248-I252 WeakPolarHBondContact O-CG1 3.37Å; I248-I252 PolarHBondContact O-N 3.14Å; L249-I252 PolarHBondContact O-N 3.07Å; I252-Q256 PolarHBondContact O-NE2 3.18Å
253M94.7Very high94.4Very high51 Ų5142.4 Ų42.425%0.25122%0.216SC..Hα-helixtrans-68.9-41.7177.1-70.4174.8176.200112.2A202 I203 F206 L249 L251 M255 Q256A202-M253 HydrophobicContact CB-SD 4.46Å; I203-M253 HydrophobicContact CG1-CE 3.99Å; I203-M253 HydrophobicContact CG1-SD 4.28Å; F206-M253 HydrophobicContact CB-CB 3.88Å; F206-M253 HydrophobicContact CB-CG 4.5Å; F206-M253 HydrophobicContact CB-SD 4.12Å; F206-M253 HydrophobicContact CD2-CB 3.73Å; F206-M253 VanDerWaalsContact CD2-O 3.28Å; F206-M253 WeakPolarHBondContact CD2-O 3.33Å; F206-M253 VanDerWaalsContact CE2-O 3.31Å; F206-M253 WeakPolarHBondContact CE2-O 3.42Å; F206-M253 HydrophobicContact CG-CB 3.94Å; L249-M253 VanDerWaalsContact O-CB 3.3Å; L249-M253 WeakPolarHBondContact O-CB 3.41Å; L249-M253 WeakPolarHBondContact O-CG 3.29Å; L249-M253 PolarHBondContact O-N 2.79Å; L251-M253 VanDerWaalsContact C-N 3.31Å; L251-M253 PolarHBondContact O-N 2.87Å; M253-M255 PolarHBondContact O-N 2.9Å; M253-Q256 WeakPolarHBondContact O-CB 3.36Å; M253-Q256 WeakPolarHBondContact O-CG 3.2Å; M253-Q256 PolarHBondContact O-N 2.93Å; M253-Q256 VanDerWaalsContact O-N 3.07Å
254S94.5Very high94.2Very high1 Ų142.5 Ų42.51%0.00722%0.216CC..Hα-helixtrans-61.1-32.6179.566.30000113.2G250 L251 Q256 I257G250-S254 VanDerWaalsContact O-CB 3.22Å; G250-S254 WeakPolarHBondContact O-CB 3.41Å; G250-S254 PolarHBondContact O-N 3.27Å; G250-S254 PolarHBondContact O-OG 3.3Å; L251-S254 PolarHBondContact O-N 3.21Å; L251-S254 PolarHBondContact O-OG 3.44Å; S254-Q256 PolarHBondContact O-N 3.19Å; S254-I257 PolarHBondContact O-N 2.98Å
255M94.7Very high94Very high41 Ų4146 Ų4620%0.20223%0.234CC..THydrogen-bonded Turntrans-67.2-17.5176.6-66.6169.6177.800114.2L251 M253 I257 G261 P264 L265L251-M255 HydrophobicContact CD1-CE 3.67Å; L251-M255 HydrophobicContact CD2-CE 4.34Å; L251-M255 HydrophobicContact CG-CE 3.71Å; L251-M255 WeakPolarHBondContact O-CG 3.36Å; L251-M255 PolarHBondContact O-N 2.81Å; M253-M255 PolarHBondContact O-N 2.9Å; M255-I257 VanDerWaalsContact C-N 3.26Å; M255-I257 PolarHBondContact O-N 2.86Å; M255-G261 WeakPolarHBondContact CA-O 3.47Å; M255-G261 WeakPolarHBondContact CG-O 3.37Å; M255-P264 HydrophobicContact CE-CB 4.39Å; M255-L265 HydrophobicContact CE-CD1 3.54Å; M255-L265 HydrophobicContact CE-CD2 4.16Å; M255-L265 HydrophobicContact CE-CG 3.51Å
256Q94.2Very high93.7Very high121 Ų12152.3 Ų52.357%0.56526%0.255SS*.THydrogen-bonded Turntrans-77.1-12-179.5-50.1-51.8-56.200112.9F206 I252 M253 S254 P258F206-Q256 HydrophobicContact CE2-CB 4.34Å; I252-Q256 PolarHBondContact O-NE2 3.18Å; M253-Q256 WeakPolarHBondContact O-CB 3.36Å; M253-Q256 WeakPolarHBondContact O-CG 3.2Å; M253-Q256 PolarHBondContact O-N 2.93Å; M253-Q256 VanDerWaalsContact O-N 3.07Å; S254-Q256 PolarHBondContact O-N 3.19Å; Q256-P258 WeakPolarHBondContact O-CD 3.39Å
257I93.5Very high93.4Very high10 Ų1053.2 Ų53.25%0.05126%0.26CS..SBendtrans-85.8116.6176.2-56.8-53.7000108.5F206 V209 S254 M255 F259 V260 G261F206-I257 HydrophobicContact CE2-CD1 3.62Å; F206-I257 HydrophobicContact CE2-CG1 4Å; F206-I257 HydrophobicContact CZ-CD1 4.04Å; V209-I257 HydrophobicContact CG1-CG1 4.1Å; S254-I257 PolarHBondContact O-N 2.98Å; M255-I257 VanDerWaalsContact C-N 3.26Å; M255-I257 PolarHBondContact O-N 2.86Å; I257-F259 VanDerWaalsContact C-N 3.28Å; I257-F259 PolarHBondContact O-N 3.34Å; I257-F259 VanDerWaalsContact O-N 3.16Å; I257-V260 HydrophobicContact CB-CB 4.28Å; I257-V260 HydrophobicContact CB-CG2 4.22Å; I257-V260 HydrophobicContact CG2-CG2 4.16Å; I257-V260 PolarHBondContact O-N 3.05Å; I257-G261 PolarHBondContact O-N 3.11Å
258P92.1Very high93.2Very high53 Ų5353.3 Ų53.334%0.34426%0.262SS..THydrogen-bonded Turntrans-56.4-37.7-170.8-30.637.7000114.8Y72 Q256 V260Y72-P258 HydrophobicContact CE2-CG 3.71Å; Y72-P258 WeakPolarHBondContact OH-CG 3.34Å; Q256-P258 WeakPolarHBondContact O-CD 3.39Å; P258-V260 PolarHBondContact O-N 2.91Å
259F92Very high92.9Very high72 Ų7250.2 Ų50.232%0.31625%0.246SC..THydrogen-bonded Turntrans-68.5-21.5178.4-175.2-123.1000113.7G89 Y92 I257 Q263G89-F259 WeakPolarHBondContact O-CA 3.35Å; G89-F259 WeakPolarHBondContact O-CD2 3.39Å; Y92-F259 HydrophobicContact CD1-CD1 4.38Å; Y92-F259 HydrophobicContact CD2-CD1 4.24Å; Y92-F259 HydrophobicContact CD2-CE1 4.3Å; Y92-F259 AromaticContact CE1-CD1 3.9Å; Y92-F259 HydrophobicContact CE1-CD1 3.9Å; Y92-F259 HydrophobicContact CE1-CE1 4.43Å; Y92-F259 AromaticContact CE2-CD1 3.74Å; Y92-F259 HydrophobicContact CE2-CD1 3.74Å; Y92-F259 AromaticContact CE2-CE1 3.54Å; Y92-F259 HydrophobicContact CE2-CE1 3.54Å; Y92-F259 AromaticContact CZ-CD1 3.54Å; Y92-F259 AromaticContact CZ-CE1 3.61Å; I257-F259 VanDerWaalsContact C-N 3.28Å; I257-F259 PolarHBondContact O-N 3.34Å; I257-F259 VanDerWaalsContact O-N 3.16Å; F259-Q263 PolarHBondContact O-NE2 3.07Å
260V93Very high92.7Very high3 Ų347.4 Ų47.42%0.01823%0.231CC..THydrogen-bonded Turntrans-93.4-50.6175.9175.90000110.2Y92 V209 Y215 I257 P258 F262 Q263 P264Y92-V260 HydrophobicContact CE1-CG2 4.14Å; V209-V260 HydrophobicContact CG1-CG2 3.95Å; Y215-V260 HydrophobicContact CE1-CG2 4.01Å; I257-V260 HydrophobicContact CB-CB 4.28Å; I257-V260 HydrophobicContact CB-CG2 4.22Å; I257-V260 HydrophobicContact CG2-CG2 4.16Å; I257-V260 PolarHBondContact O-N 3.05Å; P258-V260 PolarHBondContact O-N 2.91Å; V260-F262 PolarHBondContact O-N 3.31Å; V260-F262 VanDerWaalsContact O-N 3.12Å; V260-Q263 HydrophobicContact CG1-CB 4.47Å; V260-Q263 VanDerWaalsContact O-CB 3.23Å; V260-Q263 WeakPolarHBondContact O-CB 3.1Å; V260-Q263 WeakPolarHBondContact O-CG 3.43Å; V260-Q263 PolarHBondContact O-N 3.33Å; V260-P264 HydrophobicContact CG1-CG 3.69Å
261G92.5Very high92.5Very high17 Ų1748.2 Ų48.218%0.17524%0.235CC..THydrogen-bonded Turntrans46.8-116.8176.800000112.8M255 I257 P264M255-G261 WeakPolarHBondContact CA-O 3.47Å; M255-G261 WeakPolarHBondContact CG-O 3.37Å; I257-G261 PolarHBondContact O-N 3.11Å; G261-P264 WeakPolarHBondContact O-CD 3.48Å
262F93.1Very high92.4Very high132 Ų13248.6 Ų48.658%0.57924%0.243SC*.THydrogen-bonded Turntrans-92.87.5-179.4-58.1-66.5000115.1V260 P264 L265 R266V260-F262 PolarHBondContact O-N 3.31Å; V260-F262 VanDerWaalsContact O-N 3.12Å; F262-P264 VanDerWaalsContact C-N 3.29Å; F262-L265 PolarHBondContact O-N 3.18Å; F262-L265 VanDerWaalsContact O-N 3.11Å; F262-R266 PolarHBondContact O-N 2.91Å; F262-R266 VanDerWaalsContact O-N 3.1Å
263Q91.8Very high92.2Very high64 Ų6444.1 Ų44.130%0.29922%0.221SC..Hα-helixtrans-51.6-39174.2-70.4165.813.500113.5F259 V260 L265 R266 T267F259-Q263 PolarHBondContact O-NE2 3.07Å; V260-Q263 HydrophobicContact CG1-CB 4.47Å; V260-Q263 VanDerWaalsContact O-CB 3.23Å; V260-Q263 WeakPolarHBondContact O-CB 3.1Å; V260-Q263 WeakPolarHBondContact O-CG 3.43Å; V260-Q263 PolarHBondContact O-N 3.33Å; Q263-L265 PolarHBondContact O-N 3.46Å; Q263-L265 VanDerWaalsContact O-N 3.1Å; Q263-R266 PolarHBondContact O-N 3.45Å; Q263-R266 VanDerWaalsContact O-N 3.1Å; Q263-T267 HydrophobicContact CB-CG2 4.02Å; Q263-T267 HydrophobicContact CG-CG2 4.13Å; Q263-T267 PolarHBondContact O-N 3.36Å; Q263-T267 PolarHBondContact O-OG1 3.03Å
264P91.3Very high92.1Very high1 Ų144 Ų441%0.00622%0.221CC..Hα-helixtrans-63.8-15.7179.7-25.837.3000115.6L251 M255 V260 G261 F262 H270L251-P264 HydrophobicContact CD1-CB 3.54Å; M255-P264 HydrophobicContact CE-CB 4.39Å; V260-P264 HydrophobicContact CG1-CG 3.69Å; G261-P264 WeakPolarHBondContact O-CD 3.48Å; F262-P264 VanDerWaalsContact C-N 3.29Å; P264-H270 WeakPolarHBondContact O-CB 3.32Å
265L90.5Very high92Very high92 Ų9244.6 Ų44.648%0.48223%0.226SC..Hα-helixtrans-105.5-21.7173-66.3172.7000113.2M255 F262 Q263 M271 I274M255-L265 HydrophobicContact CE-CD1 3.54Å; M255-L265 HydrophobicContact CE-CD2 4.16Å; M255-L265 HydrophobicContact CE-CG 3.51Å; F262-L265 PolarHBondContact O-N 3.18Å; F262-L265 VanDerWaalsContact O-N 3.11Å; Q263-L265 PolarHBondContact O-N 3.46Å; Q263-L265 VanDerWaalsContact O-N 3.1Å; L265-M271 VanDerWaalsContact O-CE 3.29Å; L265-M271 WeakPolarHBondContact O-CE 3.39Å; L265-I274 HydrophobicContact CD2-CD1 4.49Å
266R89.6Confident91.9Very high161 Ų16143.3 Ų43.361%0.60822%0.221SC*.Hα-helixtrans-107.1-18-170.7-68.9-173.2-179.9-1770.8115F262 Q263 I326 A327F262-R266 PolarHBondContact O-N 2.91Å; F262-R266 VanDerWaalsContact O-N 3.1Å; Q263-R266 PolarHBondContact O-N 3.45Å; Q263-R266 VanDerWaalsContact O-N 3.1Å; R266-I326 CarbonylContact O-C 3.59Å; R266-I326 WeakPolarHBondContact O-CA 3.39Å; R266-A327 WeakPolarHBondContact O-CB 3.33Å; R266-A327 PolarHBondContact O-N 3.48Å
267T91Very high91.9Very high19 Ų1939.7 Ų39.712%0.11720%0.203CC..BIsolated β-bridgetrans-103.2140.5-177.258.80000111.9Q263 E269 H270 M271Q263-T267 HydrophobicContact CB-CG2 4.02Å; Q263-T267 HydrophobicContact CG-CG2 4.13Å; Q263-T267 PolarHBondContact O-N 3.36Å; Q263-T267 PolarHBondContact O-OG1 3.03Å; T267-E269 PolarHBondContact O-N 3.2Å; T267-E269 VanDerWaalsContact O-N 3.15Å; T267-H270 PolarHBondContact O-N 3.15Å; T267-H270 PolarHBondContact OG1-ND1 3.44Å; T267-M271 WeakPolarHBondContact O-CE 3.45Å
268S90.6Very high91.9Very high14 Ų1441 Ų4110%0.09822%0.215CC..G310 helixtrans-55.3-31.6176.3-161.50000112.7H270 M271 A327 W329S268-H270 PolarHBondContact O-N 3.28Å; S268-M271 WeakPolarHBondContact O-CB 3.45Å; S268-M271 PolarHBondContact O-N 3.01Å; S268-A327 PolarHBondContact N-O 3.45Å; S268-W329 PolarHBondContact OG-NE1 3.25Å
269E90.3Very high91.9Very high10 Ų1039.1 Ų39.15%0.04720%0.203CC..G310 helixtrans-53.2-24178.4-66.2158.8-160.900114.6V216 N220 T267 W329 S330 F333V216-E269 HydrophobicContact CG1-CB 4.22Å; N220-E269 PolarHBondContact ND2-O 2.9Å; N220-E269 PolarHBondContact OD1-O 3.4Å; T267-E269 PolarHBondContact O-N 3.2Å; T267-E269 VanDerWaalsContact O-N 3.15Å; E269-W329 HydrophobicContact CB-CE3 4.39Å; E269-W329 HydrophobicContact CB-CZ3 4.24Å; E269-W329 HydrophobicContact CG-CD2 4.42Å; E269-W329 HydrophobicContact CG-CE3 3.54Å; E269-W329 HydrophobicContact CG-CZ3 3.84Å; E269-S330 WeakPolarHBondContact OE1-CB 3.43Å; E269-S330 PolarHBondContact OE1-N 3Å; E269-S330 PolarHBondContact OE1-OG 3.33Å; E269-F333 VanDerWaalsContact CD-CD2 3.44Å; E269-F333 HydrophobicContact CG-CD2 4.11Å; E269-F333 WeakPolarHBondContact OE1-CD2 3.36Å
270H92.6Very high91.9Very high3 Ų335.7 Ų35.71%0.01419%0.187CC..G310 helixtrans-104.1-12.1-179.6-67.188.2000113.9Y215 P264 T267 S268 A272 S273Y215-H270 AromaticContact CE2-NE2 3.34Å; Y215-H270 VanDerWaalsContact CE2-NE2 3.34Å; Y215-H270 WeakPolarHBondContact CE2-NE2 3.06Å; P264-H270 WeakPolarHBondContact O-CB 3.32Å; T267-H270 PolarHBondContact O-N 3.15Å; T267-H270 PolarHBondContact OG1-ND1 3.44Å; S268-H270 PolarHBondContact O-N 3.28Å; H270-A272 VanDerWaalsContact C-N 3.25Å; H270-A272 PolarHBondContact O-N 2.99Å; H270-S273 PolarHBondContact O-N 3.24Å; H270-S273 PolarHBondContact O-OG 3.18Å
271M90.7Very high91.9Very high17 Ų1738.6 Ų38.68%0.08420%0.201CC..Hα-helixtrans-66.9-23.6-169.3-65.3-60.5127.500113.8L265 T267 S268 S273 I274 G275 V317 I326L265-M271 VanDerWaalsContact O-CE 3.29Å; L265-M271 WeakPolarHBondContact O-CE 3.39Å; T267-M271 WeakPolarHBondContact O-CE 3.45Å; S268-M271 WeakPolarHBondContact O-CB 3.45Å; S268-M271 PolarHBondContact O-N 3.01Å; M271-S273 VanDerWaalsContact C-N 3.27Å; M271-S273 PolarHBondContact O-N 3.44Å; M271-I274 HydrophobicContact CE-CD1 3.64Å; M271-I274 PolarHBondContact O-N 3.4Å; M271-I274 HydrophobicContact SD-CD1 3.82Å; M271-G275 PolarHBondContact O-N 2.91Å; M271-V317 HydrophobicContact CB-CG1 3.87Å; M271-V317 HydrophobicContact CG-CG1 4.28Å; M271-I326 HydrophobicContact CE-CG2 4.39Å; M271-I326 HydrophobicContact CG-CD1 4.06Å; M271-I326 HydrophobicContact CG-CG2 4.07Å; M271-I326 HydrophobicContact SD-CD1 3.68Å; M271-I326 HydrophobicContact SD-CG1 4.32Å
272A91.1Very high91.8Very high43 Ų4339.9 Ų39.936%0.35521%0.205SC..Hα-helixtrans-58.5-38.9171.600000112.1N220 H270 V276N220-A272 WeakPolarHBondContact OD1-CB 3.43Å; H270-A272 VanDerWaalsContact C-N 3.25Å; H270-A272 PolarHBondContact O-N 2.99Å; A272-V276 WeakPolarHBondContact O-CB 3.45Å; A272-V276 VanDerWaalsContact O-CG2 3.29Å; A272-V276 WeakPolarHBondContact O-CG2 3.49Å; A272-V276 PolarHBondContact O-N 3.19Å
273S92.2Very high91.7Very high2 Ų234.6 Ų34.61%0.01418%0.183CC..Hα-helixtrans-69.5-43.8179.970.40000112.5Y243 F247 H270 M271 F277Y243-S273 WeakPolarHBondContact OH-CA 3.23Å; Y243-S273 PolarHBondContact OH-O 3.36Å; F247-S273 WeakPolarHBondContact CE2-OG 3.46Å; H270-S273 PolarHBondContact O-N 3.24Å; H270-S273 PolarHBondContact O-OG 3.18Å; M271-S273 VanDerWaalsContact C-N 3.27Å; M271-S273 PolarHBondContact O-N 3.44Å; S273-F277 VanDerWaalsContact O-CB 3.29Å; S273-F277 WeakPolarHBondContact O-CB 3.36Å; S273-F277 PolarHBondContact O-N 3.29Å
274I92.5Very high91.6Very high49 Ų4932.3 Ų32.325%0.25118%0.176SC..Hα-helixtrans-64.9-44.7175.4-66.3159.3000110.6F247 L265 M271 F277 A278F247-I274 HydrophobicContact CE2-CG1 4.23Å; F247-I274 HydrophobicContact CZ-CG1 3.83Å; L265-I274 HydrophobicContact CD2-CD1 4.49Å; M271-I274 HydrophobicContact CE-CD1 3.64Å; M271-I274 PolarHBondContact O-N 3.4Å; M271-I274 HydrophobicContact SD-CD1 3.82Å; I274-F277 WeakPolarHBondContact O-CB 3.38Å; I274-F277 PolarHBondContact O-N 3.48Å; I274-A278 PolarHBondContact O-N 2.94Å
275G92.1Very high91.6Very high12 Ų1238 Ų3812%0.12420%0.201CC..Hα-helixtrans-63.6-45179.300000113M271 F277 A278 L279M271-G275 PolarHBondContact O-N 2.91Å; G275-F277 VanDerWaalsContact C-N 3.33Å; G275-A278 PolarHBondContact O-N 2.75Å; G275-L279 WeakPolarHBondContact O-CB 3.46Å; G275-L279 PolarHBondContact O-N 2.99Å
276V93Very high91.4Very high14 Ų1435.8 Ų35.89%0.08519%0.187CC..Hα-helixtrans-68.2-32.5174.5172.30000111.7P223 I226 F227 Y243 A272 L279 L280P223-V276 HydrophobicContact CB-CB 3.89Å; P223-V276 HydrophobicContact CB-CG1 4.16Å; P223-V276 HydrophobicContact CB-CG2 3.85Å; I226-V276 HydrophobicContact CB-CG1 4.06Å; I226-V276 HydrophobicContact CG2-CG1 3.82Å; F227-V276 HydrophobicContact CB-CG2 4.1Å; Y243-V276 HydrophobicContact CE1-CG1 4.17Å; A272-V276 WeakPolarHBondContact O-CB 3.45Å; A272-V276 VanDerWaalsContact O-CG2 3.29Å; A272-V276 WeakPolarHBondContact O-CG2 3.49Å; A272-V276 PolarHBondContact O-N 3.19Å; V276-L279 PolarHBondContact O-N 3.47Å; V276-L280 WeakPolarHBondContact O-CB 3.42Å; V276-L280 PolarHBondContact O-N 3.2Å
277F94.3Very high91.3Very high45 Ų4532.3 Ų32.320%0.19718%0.176CC..Hα-helixtrans-63.4-49.8173.2178.8-95.5000111.6Y243 T244 F247 I248 S273 I274 G275 L279 L280 Q281Y243-F277 HydrophobicContact CD1-CD2 4.48Å; Y243-F277 HydrophobicContact CE1-CB 3.87Å; Y243-F277 HydrophobicContact CE1-CD2 4.26Å; T244-F277 HydrophobicContact CG2-CE2 4.09Å; F247-F277 HydrophobicContact CB-CD2 4.17Å; F247-F277 HydrophobicContact CD1-CB 4.01Å; F247-F277 HydrophobicContact CD1-CD1 4.18Å; F247-F277 AromaticContact CD1-CD2 3.22Å; F247-F277 HydrophobicContact CD1-CD2 3.22Å; F247-F277 HydrophobicContact CD1-CE1 4.48Å; F247-F277 AromaticContact CD1-CE2 3.58Å; F247-F277 HydrophobicContact CD1-CE2 3.58Å; F247-F277 AromaticContact CD1-CG 3.54Å; F247-F277 HydrophobicContact CD1-CG 3.54Å; F247-F277 HydrophobicContact CD1-CZ 4.21Å; F247-F277 HydrophobicContact CE1-CB 3.95Å; F247-F277 AromaticContact CE1-CD1 3.87Å; F247-F277 HydrophobicContact CE1-CD1 3.87Å; F247-F277 AromaticContact CE1-CD2 3.78Å; F247-F277 HydrophobicContact CE1-CD2 3.78Å; F247-F277 HydrophobicContact CE1-CE1 4.29Å; F247-F277 HydrophobicContact CE1-CE2 4.19Å; F247-F277 AromaticContact CE1-CG 3.59Å; F247-F277 HydrophobicContact CE1-CG 3.59Å; F247-F277 HydrophobicContact CE1-CZ 4.43Å; F247-F277 HydrophobicContact CG-CB 4.36Å; F247-F277 AromaticContact CG-CD2 3.86Å; F247-F277 HydrophobicContact CG-CD2 3.86Å; F247-F277 HydrophobicContact CG-CE2 4.47Å; F247-F277 HydrophobicContact CG-CG 4.27Å; F247-F277 HydrophobicContact CZ-CB 4.26Å; F247-F277 HydrophobicContact CZ-CG 4.37Å; I248-F277 HydrophobicContact CD1-CE2 4.23Å; I248-F277 HydrophobicContact CD1-CZ 4.17Å; I248-F277 HydrophobicContact CG1-CE2 4.09Å; I248-F277 HydrophobicContact CG1-CZ 4.21Å; S273-F277 VanDerWaalsContact O-CB 3.29Å; S273-F277 WeakPolarHBondContact O-CB 3.36Å; S273-F277 PolarHBondContact O-N 3.29Å; I274-F277 WeakPolarHBondContact O-CB 3.38Å; I274-F277 PolarHBondContact O-N 3.48Å; G275-F277 VanDerWaalsContact C-N 3.33Å; F277-L279 PolarHBondContact O-N 3.27Å; F277-L280 PolarHBondContact O-N 3.45Å; F277-Q281 HydrophobicContact CE1-CG 4.24Å; F277-Q281 HydrophobicContact CZ-CG 4.4Å; F277-Q281 WeakPolarHBondContact O-CG 3.21Å; F277-Q281 PolarHBondContact O-N 3.4Å
278A93.1Very high91.1Very high37 Ų3737 Ų3731%0.30619%0.193SC..Hα-helixtrans-59.3-44.7175.300000111.9I274 G275 L280 Q281 V282 I313I274-A278 PolarHBondContact O-N 2.94Å; G275-A278 PolarHBondContact O-N 2.75Å; A278-L280 PolarHBondContact O-N 3.02Å; A278-Q281 PolarHBondContact O-N 3.03Å; A278-V282 WeakPolarHBondContact O-CG2 3.4Å; A278-V282 PolarHBondContact O-N 2.72Å; A278-V282 VanDerWaalsContact O-N 3.14Å; A278-I313 HydrophobicContact CB-CD1 3.79Å; A278-I313 HydrophobicContact CB-CG1 4.28Å
279L92Very high91Very high15 Ų1538.8 Ų38.88%0.07920%0.201CC..Hα-helixtrans-61.9-42.4176.6-179.460.8000112.2F227 L230 G275 V276 F277 Q281 V282 V283 A310 I313F227-L279 HydrophobicContact CD2-CD2 3.92Å; F227-L279 HydrophobicContact CE2-CD2 4.04Å; L230-L279 HydrophobicContact CD1-CD2 4.15Å; L230-L279 HydrophobicContact CD1-CG 4.23Å; G275-L279 WeakPolarHBondContact O-CB 3.46Å; G275-L279 PolarHBondContact O-N 2.99Å; V276-L279 PolarHBondContact O-N 3.47Å; F277-L279 PolarHBondContact O-N 3.27Å; L279-Q281 PolarHBondContact O-N 2.98Å; L279-V282 PolarHBondContact O-N 3.15Å; L279-V283 HydrophobicContact CD1-CG2 4.27Å; L279-V283 HydrophobicContact CG-CG2 4.47Å; L279-V283 WeakPolarHBondContact O-CG2 3.29Å; L279-V283 PolarHBondContact O-N 3.36Å; L279-A310 HydrophobicContact CD1-CB 3.88Å; L279-A310 HydrophobicContact CD2-CB 4.36Å; L279-I313 HydrophobicContact CB-CD1 4.09Å
280L92.6Very high90.6Very high0 Ų040.9 Ų40.90%021%0.211CC..Hα-helixtrans-67.1-35.8-179.7-170.666.3000112I226 L230 Y235 Y240 Y243 V276 F277 A278 A284I226-L280 HydrophobicContact CG2-CD1 4.21Å; I226-L280 HydrophobicContact CG2-CD2 4.31Å; L230-L280 HydrophobicContact CD1-CD1 4.19Å; L230-L280 HydrophobicContact CD2-CD1 3.98Å; L230-L280 HydrophobicContact CG-CD1 4.47Å; Y235-L280 HydrophobicContact CD2-CD1 4.05Å; Y235-L280 HydrophobicContact CE2-CD1 3.84Å; Y240-L280 HydrophobicContact CD2-CD2 4.39Å; Y240-L280 HydrophobicContact CD2-CG 4.15Å; Y243-L280 HydrophobicContact CD1-CD2 3.64Å; Y243-L280 HydrophobicContact CG-CD2 4.22Å; V276-L280 WeakPolarHBondContact O-CB 3.42Å; V276-L280 PolarHBondContact O-N 3.2Å; F277-L280 PolarHBondContact O-N 3.45Å; A278-L280 PolarHBondContact O-N 3.02Å; L280-A284 VanDerWaalsContact O-CB 3.24Å; L280-A284 WeakPolarHBondContact O-CB 3.49Å; L280-A284 PolarHBondContact O-N 2.93Å
281Q93.3Very high90.2Very high64 Ų6445.9 Ų45.930%0.29924%0.242SC..Hα-helixtrans-60.9-47171-69.1-61.6-19.500111.5Y240 F277 A278 L279 A284 F285Y240-Q281 PolarHBondContact OH-NE2 3.32Å; Y240-Q281 VanDerWaalsContact OH-NE2 3.11Å; Y240-Q281 PolarHBondContact OH-OE1 3.06Å; Y240-Q281 VanDerWaalsContact OH-OE1 3.11Å; F277-Q281 HydrophobicContact CE1-CG 4.24Å; F277-Q281 HydrophobicContact CZ-CG 4.4Å; F277-Q281 WeakPolarHBondContact O-CG 3.21Å; F277-Q281 PolarHBondContact O-N 3.4Å; A278-Q281 PolarHBondContact O-N 3.03Å; L279-Q281 PolarHBondContact O-N 2.98Å; Q281-A284 PolarHBondContact O-N 3.3Å; Q281-F285 WeakPolarHBondContact O-CB 3.42Å; Q281-F285 PolarHBondContact O-N 2.92Å
282V91.2Very high89.9Confident43 Ų4353.2 Ų53.226%0.26127%0.268SS..Hα-helixtrans-65.2-42.4179175.20000111.8A278 L279 F285 F286 S309A278-V282 WeakPolarHBondContact O-CG2 3.4Å; A278-V282 PolarHBondContact O-N 2.72Å; A278-V282 VanDerWaalsContact O-N 3.14Å; L279-V282 PolarHBondContact O-N 3.15Å; V282-F285 PolarHBondContact O-N 2.92Å; V282-F286 HydrophobicContact CG1-CD2 3.57Å; V282-F286 HydrophobicContact CG1-CE2 3.28Å; V282-F286 HydrophobicContact CG1-CZ 4.21Å; V282-F286 WeakPolarHBondContact O-CD2 3.48Å; V282-F286 PolarHBondContact O-N 2.98Å; V282-S309 WeakPolarHBondContact CG1-OG 3.44Å
283V89.2Confident89.3Confident21 Ų2154.7 Ų54.713%0.12727%0.273CS..Hα-helixtrans-64.6-41.1175.31730000111.5L230 Y235 L279 F286 K287 A306L230-V283 HydrophobicContact CD2-CB 4.42Å; L230-V283 HydrophobicContact CD2-CG1 3.97Å; L230-V283 HydrophobicContact CD2-CG2 4.46Å; Y235-V283 HydrophobicContact CD2-CG1 3.91Å; Y235-V283 HydrophobicContact CE2-CG1 4.35Å; Y235-V283 HydrophobicContact CG-CG1 4.19Å; L279-V283 HydrophobicContact CD1-CG2 4.27Å; L279-V283 HydrophobicContact CG-CG2 4.47Å; L279-V283 WeakPolarHBondContact O-CG2 3.29Å; L279-V283 PolarHBondContact O-N 3.36Å; V283-F286 PolarHBondContact O-N 3.49Å; V283-K287 HydrophobicContact CG1-CG 4.29Å; V283-K287 WeakPolarHBondContact O-CB 3.33Å; V283-K287 VanDerWaalsContact O-CG 3.24Å; V283-K287 WeakPolarHBondContact O-CG 3.36Å; V283-K287 PolarHBondContact O-N 3.28Å; V283-A306 HydrophobicContact CG2-CB 4.28Å
284A90.8Very high88.3Confident17 Ų1760 Ų6014%0.1431%0.308CS..Hα-helixtrans-62-43.117600000111.8Y235 Y240 L280 Q281 K287 Y288Y235-A284 HydrophobicContact CE2-CB 4.43Å; Y235-A284 VanDerWaalsContact OH-CB 3.31Å; Y235-A284 WeakPolarHBondContact OH-CB 3.49Å; Y240-A284 HydrophobicContact CD2-CB 3.61Å; Y240-A284 HydrophobicContact CE2-CB 3.74Å; Y240-A284 HydrophobicContact CG-CB 4.45Å; L280-A284 VanDerWaalsContact O-CB 3.24Å; L280-A284 WeakPolarHBondContact O-CB 3.49Å; L280-A284 PolarHBondContact O-N 2.93Å; Q281-A284 PolarHBondContact O-N 3.3Å; A284-K287 PolarHBondContact O-N 3.41Å; A284-Y288 PolarHBondContact O-N 3.19Å
285F90.8Very high87.2Confident121 Ų12159.7 Ų59.753%0.53131%0.31SS..Hα-helixtrans-63.4-48.4175.6-179.1-108.1000112.2Q281 V282 K287 Y288 L289Q281-F285 WeakPolarHBondContact O-CB 3.42Å; Q281-F285 PolarHBondContact O-N 2.92Å; V282-F285 PolarHBondContact O-N 2.92Å; F285-K287 VanDerWaalsContact C-N 3.29Å; F285-K287 PolarHBondContact O-N 2.84Å; F285-Y288 WeakPolarHBondContact O-CB 3.28Å; F285-Y288 PolarHBondContact O-N 3.43Å; F285-Y288 VanDerWaalsContact O-N 3.12Å; F285-L289 HydrophobicContact CD1-CD1 4.11Å; F285-L289 HydrophobicContact CE1-CD1 3.55Å; F285-L289 HydrophobicContact CE1-CG 4.23Å; F285-L289 HydrophobicContact CZ-CD1 3.87Å; F285-L289 HydrophobicContact CZ-CD2 4.36Å; F285-L289 HydrophobicContact CZ-CG 4.22Å; F285-L289 PolarHBondContact O-N 2.89Å
286F87.4Confident86.3Confident45 Ų4564.6 Ų64.620%0.19733%0.333CS..Hα-helixtrans-62.3-34.6174.9-75.3-46000112.7V282 V283 L289 Q290 F302 G305 A306V282-F286 HydrophobicContact CG1-CD2 3.57Å; V282-F286 HydrophobicContact CG1-CE2 3.28Å; V282-F286 HydrophobicContact CG1-CZ 4.21Å; V282-F286 WeakPolarHBondContact O-CD2 3.48Å; V282-F286 PolarHBondContact O-N 2.98Å; V283-F286 PolarHBondContact O-N 3.49Å; F286-L289 HydrophobicContact CD1-CD1 4.42Å; F286-L289 PolarHBondContact O-N 3.34Å; F286-Q290 WeakPolarHBondContact O-CB 3.42Å; F286-Q290 PolarHBondContact O-N 3.03Å; F286-F302 HydrophobicContact CB-CB 4.19Å; F286-F302 HydrophobicContact CB-CG 4.41Å; F286-F302 HydrophobicContact CD1-CB 4.3Å; F286-F302 AromaticContact CD1-CD1 3.46Å; F286-F302 HydrophobicContact CD1-CD1 3.46Å; F286-F302 VanDerWaalsContact CD1-CD1 3.46Å; F286-F302 HydrophobicContact CD1-CE1 4.09Å; F286-F302 HydrophobicContact CD1-CG 4.1Å; F286-F302 AromaticContact CE1-CD1 3.95Å; F286-F302 HydrophobicContact CE1-CD1 3.95Å; F286-F302 HydrophobicContact CG-CB 4.31Å; F286-F302 HydrophobicContact CG-CD1 4.28Å; F286-G305 VanDerWaalsContact CE2-C 3.45Å; F286-A306 HydrophobicContact CD2-CB 4.28Å
287K85.8Confident85.4Confident87 Ų8769.2 Ų69.238%0.37836%0.361SS..Hα-helixtrans-66.9-36.2173.1-77-77.4168.6-166.40112.6Y235 V283 A284 F285 Q290 T291Y235-K287 HydrophobicContact CD1-CB 4.39Å; Y235-K287 HydrophobicContact CD1-CD 4.14Å; Y235-K287 HydrophobicContact CD1-CG 3.76Å; Y235-K287 HydrophobicContact CE1-CB 4.06Å; Y235-K287 HydrophobicContact CE1-CG 3.92Å; Y235-K287 HydrophobicContact CG-CG 4.42Å; V283-K287 HydrophobicContact CG1-CG 4.29Å; V283-K287 WeakPolarHBondContact O-CB 3.33Å; V283-K287 VanDerWaalsContact O-CG 3.24Å; V283-K287 WeakPolarHBondContact O-CG 3.36Å; V283-K287 PolarHBondContact O-N 3.28Å; A284-K287 PolarHBondContact O-N 3.41Å; F285-K287 VanDerWaalsContact C-N 3.29Å; F285-K287 PolarHBondContact O-N 2.84Å; K287-Q290 PolarHBondContact O-N 3.44Å; K287-T291 PolarHBondContact O-N 3.16Å
288Y88.4Confident84.4Confident119 Ų11969.2 Ų69.247%0.46736%0.363SS..Hα-helixtrans-68.5-38.6172.7176.6-104.8000112.5A284 F285 T291 R292A284-Y288 PolarHBondContact O-N 3.19Å; F285-Y288 WeakPolarHBondContact O-CB 3.28Å; F285-Y288 PolarHBondContact O-N 3.43Å; F285-Y288 VanDerWaalsContact O-N 3.12Å; Y288-T291 PolarHBondContact O-N 2.94Å; Y288-T291 PolarHBondContact O-OG1 3.01Å; Y288-R292 HydrophobicContact CE1-CG 4.35Å; Y288-R292 HydrophobicContact CE2-CG 4.36Å; Y288-R292 WeakPolarHBondContact O-CG 3.34Å; Y288-R292 PolarHBondContact O-N 2.96Å; Y288-R292 PolarHBondContact OH-NE 2.96Å; Y288-R292 VanDerWaalsContact OH-NE 3.11Å; Y288-R292 PolarHBondContact OH-NH2 3.22Å
289L86.7Confident83.5Confident50 Ų5071.7 Ų71.726%0.26237%0.367SS..Hα-helixtrans-66-38.3171.3-65.9-178.5000111.9F285 F286 T291 R292 V293 F302F285-L289 HydrophobicContact CD1-CD1 4.11Å; F285-L289 HydrophobicContact CE1-CD1 3.55Å; F285-L289 HydrophobicContact CE1-CG 4.23Å; F285-L289 HydrophobicContact CZ-CD1 3.87Å; F285-L289 HydrophobicContact CZ-CD2 4.36Å; F285-L289 HydrophobicContact CZ-CG 4.22Å; F285-L289 PolarHBondContact O-N 2.89Å; F286-L289 HydrophobicContact CD1-CD1 4.42Å; F286-L289 PolarHBondContact O-N 3.34Å; L289-T291 VanDerWaalsContact C-N 3.28Å; L289-T291 PolarHBondContact O-N 3.19Å; L289-R292 PolarHBondContact O-N 3.31Å; L289-R292 VanDerWaalsContact O-N 3.11Å; L289-V293 PolarHBondContact O-N 3.19Å; L289-F302 HydrophobicContact CB-CE1 4.13Å; L289-F302 HydrophobicContact CB-CE2 4.05Å; L289-F302 HydrophobicContact CB-CZ 3.63Å; L289-F302 HydrophobicContact CD1-CE1 4.1Å; L289-F302 HydrophobicContact CD1-CZ 4.34Å
290Q82.8Confident82.8Confident54 Ų5478 Ų7825%0.25240%0.396SS..Hα-helixtrans-61.4-31.5177.8-17117731.700113.3F286 K287 F302F286-Q290 WeakPolarHBondContact O-CB 3.42Å; F286-Q290 PolarHBondContact O-N 3.03Å; K287-Q290 PolarHBondContact O-N 3.44Å; Q290-F302 HydrophobicContact CB-CD2 4.05Å; Q290-F302 HydrophobicContact CB-CE2 4.24Å
291T84.2Confident82.3Confident109 Ų10983 Ų8367%0.66942%0.422SS*.Hα-helixtrans-83.4-21.4174.956.70000113.4K287 Y288 L289K287-T291 PolarHBondContact O-N 3.16Å; Y288-T291 PolarHBondContact O-N 2.94Å; Y288-T291 PolarHBondContact O-OG1 3.01Å; L289-T291 VanDerWaalsContact C-N 3.28Å; L289-T291 PolarHBondContact O-N 3.19Å
292R85.1Confident81.8Confident170 Ų17081 Ų8164%0.64241%0.413SS*.Hα-helixtrans-85.1-34.6176-69.9-66.1-165.8167.14.2113.7Y288 L289Y288-R292 HydrophobicContact CE1-CG 4.35Å; Y288-R292 HydrophobicContact CE2-CG 4.36Å; Y288-R292 WeakPolarHBondContact O-CG 3.34Å; Y288-R292 PolarHBondContact O-N 2.96Å; Y288-R292 PolarHBondContact OH-NE 2.96Å; Y288-R292 VanDerWaalsContact OH-NE 3.11Å; Y288-R292 PolarHBondContact OH-NH2 3.22Å; L289-R292 PolarHBondContact O-N 3.31Å; L289-R292 VanDerWaalsContact O-N 3.11Å
293V78.2Confident81.1Confident75 Ų7583 Ų8346%0.45543%0.425SS..SBendtrans-128.984-176.5-164.20000110.9L289 S295 L298L289-V293 PolarHBondContact O-N 3.19Å; V293-S295 PolarHBondContact O-N 3Å; V293-L298 HydrophobicContact CB-CD1 3.86Å; V293-L298 HydrophobicContact CG1-CD1 3.44Å; V293-L298 VanDerWaalsContact CG1-CD1 3.44Å
294P70Confident80.8Confident114 Ų11488.5 Ų88.574%0.7445%0.447SS*.  trans-81.272.6-173.833.5-36.8000112.9
295S70.7Confident80.5Confident42 Ų4288.4 Ų88.429%0.29445%0.448SS..  trans-111.4142.8167.7850000111.7V293 T297 L298 K299V293-S295 PolarHBondContact O-N 3Å; S295-T297 VanDerWaalsContact C-N 3.3Å; S295-T297 PolarHBondContact O-N 3.45Å; S295-L298 PolarHBondContact O-N 3.04Å; S295-L298 WeakPolarHBondContact OG-CB 3.34Å; S295-L298 VanDerWaalsContact OG-CG 3.27Å; S295-L298 WeakPolarHBondContact OG-CG 3.48Å; S295-L298 PolarHBondContact OG-N 3.33Å; S295-K299 WeakPolarHBondContact O-CG 3.5Å; S295-K299 PolarHBondContact O-N 2.9Å
296N73.6Confident80.1Confident115 Ų11583.6 Ų83.662%0.61543%0.431SS*.Hα-helixtrans-65.9-33.9-178.7-74.8-24.5000112.3L298 K299N296-L298 PolarHBondContact O-N 3.42Å; N296-K299 WeakPolarHBondContact O-CB 3.34Å; N296-K299 PolarHBondContact O-N 2.92Å; N296-K299 WeakPolarHBondContact OD1-CE 3.41Å; N296-K299 PolarHBondContact OD1-NZ 3.01Å
297T72.5Confident80Confident110 Ų11087 Ų8768%0.67545%0.45SS*.Hα-helixtrans-61.6-41.8174.8-30.40000111.8S295 K299 Q300 L301S295-T297 VanDerWaalsContact C-N 3.3Å; S295-T297 PolarHBondContact O-N 3.45Å; T297-K299 VanDerWaalsContact C-N 3.32Å; T297-K299 PolarHBondContact O-N 3.32Å; T297-Q300 PolarHBondContact O-N 2.69Å; T297-L301 PolarHBondContact O-N 2.94Å
298L73.7Confident80.1Confident45 Ų4589.1 Ų89.124%0.23646%0.459CS..Hα-helixtrans-68.9-27.5176.3-74.2175.3000112.9V293 S295 N296 Q300 L301 F302V293-L298 HydrophobicContact CB-CD1 3.86Å; V293-L298 HydrophobicContact CG1-CD1 3.44Å; V293-L298 VanDerWaalsContact CG1-CD1 3.44Å; S295-L298 PolarHBondContact O-N 3.04Å; S295-L298 WeakPolarHBondContact OG-CB 3.34Å; S295-L298 VanDerWaalsContact OG-CG 3.27Å; S295-L298 WeakPolarHBondContact OG-CG 3.48Å; S295-L298 PolarHBondContact OG-N 3.33Å; N296-L298 PolarHBondContact O-N 3.42Å; L298-Q300 VanDerWaalsContact C-N 3.32Å; L298-Q300 PolarHBondContact O-N 2.89Å; L298-L301 HydrophobicContact CD2-CD2 3.76Å; L298-L301 PolarHBondContact O-N 3.02Å; L298-F302 HydrophobicContact CB-CD2 4.29Å; L298-F302 HydrophobicContact CB-CE2 3.8Å; L298-F302 HydrophobicContact CB-CZ 4.03Å; L298-F302 HydrophobicContact CD1-CZ 4.3Å; L298-F302 HydrophobicContact CD2-CE1 4.4Å; L298-F302 HydrophobicContact CD2-CZ 4.21Å; L298-F302 HydrophobicContact CG-CZ 4.41Å; L298-F302 WeakPolarHBondContact O-CB 3.42Å; L298-F302 WeakPolarHBondContact O-CD2 3.3Å; L298-F302 WeakPolarHBondContact O-CG 3.22Å; L298-F302 PolarHBondContact O-N 2.98Å
299K74.1Confident80Confident90 Ų9084.3 Ų84.339%0.39144%0.443SS..Hα-helixtrans-59.4-45.1173.6-59.4179.1-177162.90111.1S295 N296 T297 F302 T303S295-K299 WeakPolarHBondContact O-CG 3.5Å; S295-K299 PolarHBondContact O-N 2.9Å; N296-K299 WeakPolarHBondContact O-CB 3.34Å; N296-K299 PolarHBondContact O-N 2.92Å; N296-K299 WeakPolarHBondContact OD1-CE 3.41Å; N296-K299 PolarHBondContact OD1-NZ 3.01Å; T297-K299 VanDerWaalsContact C-N 3.32Å; T297-K299 PolarHBondContact O-N 3.32Å; K299-F302 PolarHBondContact O-N 3.49Å; K299-T303 PolarHBondContact O-N 3.41Å; K299-T303 PolarHBondContact O-OG1 3.15Å
300Q78.2Confident80Confident148 Ų14883.5 Ų83.569%0.69244%0.443SS*.Hα-helixtrans-64.8-44.3175.9-70.5178.3-29.400111.3T297 L298 F302 T303 F304T297-Q300 PolarHBondContact O-N 2.69Å; L298-Q300 VanDerWaalsContact C-N 3.32Å; L298-Q300 PolarHBondContact O-N 2.89Å; Q300-F302 VanDerWaalsContact C-N 3.35Å; Q300-F302 PolarHBondContact O-N 3.18Å; Q300-T303 PolarHBondContact O-N 2.77Å; Q300-F304 WeakPolarHBondContact O-CB 3.46Å; Q300-F304 PolarHBondContact O-N 3.26Å
301L82.3Confident80.3Confident103 Ų10382.5 Ų82.554%0.53945%0.447SS..Hα-helixtrans-60.4-40.6176.7-173.665.9000112.7T297 L298 G305T297-L301 PolarHBondContact O-N 2.94Å; L298-L301 HydrophobicContact CD2-CD2 3.76Å; L298-L301 PolarHBondContact O-N 3.02Å; L301-G305 PolarHBondContact O-N 3.41Å
302F81.1Confident80.7Confident24 Ų2480.2 Ų80.211%0.10543%0.433CS..Hα-helixtrans-72.3-36.7178.4-63.6-30.2000112.7F286 L289 Q290 L298 K299 Q300 A306F286-F302 HydrophobicContact CB-CB 4.19Å; F286-F302 HydrophobicContact CB-CG 4.41Å; F286-F302 HydrophobicContact CD1-CB 4.3Å; F286-F302 AromaticContact CD1-CD1 3.46Å; F286-F302 HydrophobicContact CD1-CD1 3.46Å; F286-F302 VanDerWaalsContact CD1-CD1 3.46Å; F286-F302 HydrophobicContact CD1-CE1 4.09Å; F286-F302 HydrophobicContact CD1-CG 4.1Å; F286-F302 AromaticContact CE1-CD1 3.95Å; F286-F302 HydrophobicContact CE1-CD1 3.95Å; F286-F302 HydrophobicContact CG-CB 4.31Å; F286-F302 HydrophobicContact CG-CD1 4.28Å; L289-F302 HydrophobicContact CB-CE1 4.13Å; L289-F302 HydrophobicContact CB-CE2 4.05Å; L289-F302 HydrophobicContact CB-CZ 3.63Å; L289-F302 HydrophobicContact CD1-CE1 4.1Å; L289-F302 HydrophobicContact CD1-CZ 4.34Å; Q290-F302 HydrophobicContact CB-CD2 4.05Å; Q290-F302 HydrophobicContact CB-CE2 4.24Å; L298-F302 HydrophobicContact CB-CD2 4.29Å; L298-F302 HydrophobicContact CB-CE2 3.8Å; L298-F302 HydrophobicContact CB-CZ 4.03Å; L298-F302 HydrophobicContact CD1-CZ 4.3Å; L298-F302 HydrophobicContact CD2-CE1 4.4Å; L298-F302 HydrophobicContact CD2-CZ 4.21Å; L298-F302 HydrophobicContact CG-CZ 4.41Å; L298-F302 WeakPolarHBondContact O-CB 3.42Å; L298-F302 WeakPolarHBondContact O-CD2 3.3Å; L298-F302 WeakPolarHBondContact O-CG 3.22Å; L298-F302 PolarHBondContact O-N 2.98Å; K299-F302 PolarHBondContact O-N 3.49Å; Q300-F302 VanDerWaalsContact C-N 3.35Å; Q300-F302 PolarHBondContact O-N 3.18Å; F302-A306 WeakPolarHBondContact O-CB 3.48Å; F302-A306 PolarHBondContact O-N 3.44Å
303T78Confident80.9Confident85 Ų8573.8 Ų73.852%0.52141%0.411SS..Hα-helixtrans-65.7-44.5171.7-65.70000111.3K299 Q300 A306 I307K299-T303 PolarHBondContact O-N 3.41Å; K299-T303 PolarHBondContact O-OG1 3.15Å; Q300-T303 PolarHBondContact O-N 2.77Å; T303-A306 PolarHBondContact O-N 2.86Å; T303-I307 HydrophobicContact CG2-CD1 4.12Å; T303-I307 WeakPolarHBondContact O-CG1 3.2Å; T303-I307 PolarHBondContact O-N 2.75Å; T303-I307 VanDerWaalsContact O-N 3.12Å
304F83Confident81.4Confident136 Ų13676.8 Ų76.860%0.59642%0.419SS*.Hα-helixtrans-62.6-44.4174.6-178.3-98000111.6Q300 A306 I307 F308Q300-F304 WeakPolarHBondContact O-CB 3.46Å; Q300-F304 PolarHBondContact O-N 3.26Å; F304-A306 VanDerWaalsContact C-N 3.33Å; F304-A306 PolarHBondContact O-N 3.21Å; F304-I307 PolarHBondContact O-N 3.1Å; F304-F308 VanDerWaalsContact O-CB 3.31Å; F304-F308 WeakPolarHBondContact O-CB 3.45Å; F304-F308 PolarHBondContact O-N 3.35Å
305G84.7Confident82.4Confident14 Ų1477.1 Ų77.114%0.14441%0.413CS..Hα-helixtrans-60.8-37.5176.500000113.3F286 L301 S309F286-G305 VanDerWaalsContact CE2-C 3.45Å; L301-G305 PolarHBondContact O-N 3.41Å; G305-S309 VanDerWaalsContact O-CB 3.31Å; G305-S309 WeakPolarHBondContact O-CB 3.33Å; G305-S309 PolarHBondContact O-N 3.32Å; G305-S309 PolarHBondContact O-OG 2.88Å
306A82.1Confident83.4Confident21 Ų2178.8 Ų78.817%0.17442%0.421CS..Hα-helixtrans-66.3-43.917400000111.9V283 F286 F302 T303 F304 S309 A310V283-A306 HydrophobicContact CG2-CB 4.28Å; F286-A306 HydrophobicContact CD2-CB 4.28Å; F302-A306 WeakPolarHBondContact O-CB 3.48Å; F302-A306 PolarHBondContact O-N 3.44Å; T303-A306 PolarHBondContact O-N 2.86Å; F304-A306 VanDerWaalsContact C-N 3.33Å; F304-A306 PolarHBondContact O-N 3.21Å; A306-S309 PolarHBondContact O-N 2.9Å; A306-S309 PolarHBondContact O-OG 3.37Å; A306-A310 PolarHBondContact O-N 2.91Å
307I84.4Confident84.1Confident116 Ų11674.9 Ų74.960%0.59540%0.402SS*.Hα-helixtrans-65.3-44.4176.3-65.9165.7000110.7T303 F304 S309 A310 G311T303-I307 HydrophobicContact CG2-CD1 4.12Å; T303-I307 WeakPolarHBondContact O-CG1 3.2Å; T303-I307 PolarHBondContact O-N 2.75Å; T303-I307 VanDerWaalsContact O-N 3.12Å; F304-I307 PolarHBondContact O-N 3.1Å; I307-S309 PolarHBondContact O-N 3.1Å; I307-A310 WeakPolarHBondContact O-CB 3.42Å; I307-A310 PolarHBondContact O-N 3.1Å; I307-G311 PolarHBondContact O-N 3.11Å
308F88Confident84.9Confident131 Ų13173 Ų7358%0.57539%0.39SS*.Hα-helixtrans-60.2-44.4175.3-178.7-99.4000111.4F304 A310 G311 V312F304-F308 VanDerWaalsContact O-CB 3.31Å; F304-F308 WeakPolarHBondContact O-CB 3.45Å; F304-F308 PolarHBondContact O-N 3.35Å; F308-A310 VanDerWaalsContact C-N 3.34Å; F308-A310 PolarHBondContact O-N 3.26Å; F308-G311 PolarHBondContact O-N 3.31Å; F308-G311 VanDerWaalsContact O-N 3.16Å; F308-V312 HydrophobicContact CD1-CG2 4.1Å; F308-V312 HydrophobicContact CE1-CG2 3.69Å; F308-V312 HydrophobicContact CE2-CG2 4.36Å; F308-V312 HydrophobicContact CZ-CG2 3.83Å; F308-V312 WeakPolarHBondContact O-CG2 3.25Å; F308-V312 PolarHBondContact O-N 2.89Å
309S86.7Confident85.7Confident18 Ų1872.8 Ų72.813%0.12640%0.398CS..Hα-helixtrans-63.9-37.4176.973.90000112.7V282 G305 A306 I307 G311 V312 I313V282-S309 WeakPolarHBondContact CG1-OG 3.44Å; G305-S309 VanDerWaalsContact O-CB 3.31Å; G305-S309 WeakPolarHBondContact O-CB 3.33Å; G305-S309 PolarHBondContact O-N 3.32Å; G305-S309 PolarHBondContact O-OG 2.88Å; A306-S309 PolarHBondContact O-N 2.9Å; A306-S309 PolarHBondContact O-OG 3.37Å; I307-S309 PolarHBondContact O-N 3.1Å; S309-G311 VanDerWaalsContact C-N 3.35Å; S309-V312 PolarHBondContact O-N 3.39Å; S309-I313 WeakPolarHBondContact O-CB 3.43Å; S309-I313 WeakPolarHBondContact O-CD1 3.46Å; S309-I313 WeakPolarHBondContact O-CG1 3.39Å; S309-I313 PolarHBondContact O-N 3.05Å
310A87Confident86.5Confident33 Ų3371.9 Ų71.927%0.27340%0.397SS..Hα-helixtrans-62.7-42.2172.900000111.4L279 A306 I307 F308 I313 F314L279-A310 HydrophobicContact CD1-CB 3.88Å; L279-A310 HydrophobicContact CD2-CB 4.36Å; A306-A310 PolarHBondContact O-N 2.91Å; I307-A310 WeakPolarHBondContact O-CB 3.42Å; I307-A310 PolarHBondContact O-N 3.1Å; F308-A310 VanDerWaalsContact C-N 3.34Å; F308-A310 PolarHBondContact O-N 3.26Å; A310-I313 PolarHBondContact O-N 3.06Å; A310-F314 WeakPolarHBondContact O-CB 3.5Å; A310-F314 PolarHBondContact O-N 2.99Å
311G88.9Confident87.1Confident33 Ų3366.6 Ų66.634%0.3438%0.375SS..Hα-helixtrans-62.7-43.3174.800000113.2I307 F308 S309 F314 L315I307-G311 PolarHBondContact O-N 3.11Å; F308-G311 PolarHBondContact O-N 3.31Å; F308-G311 VanDerWaalsContact O-N 3.16Å; S309-G311 VanDerWaalsContact C-N 3.35Å; G311-F314 PolarHBondContact O-N 3.41Å; G311-L315 WeakPolarHBondContact O-CG 3.35Å; G311-L315 PolarHBondContact O-N 3.33Å
312V91.4Very high87.4Confident61 Ų6172 Ų7237%0.3739%0.39SS..Hα-helixtrans-64.6-44.7175.31720000111.3F308 S309 F314 L315 V316F308-V312 HydrophobicContact CD1-CG2 4.1Å; F308-V312 HydrophobicContact CE1-CG2 3.69Å; F308-V312 HydrophobicContact CE2-CG2 4.36Å; F308-V312 HydrophobicContact CZ-CG2 3.83Å; F308-V312 WeakPolarHBondContact O-CG2 3.25Å; F308-V312 PolarHBondContact O-N 2.89Å; S309-V312 PolarHBondContact O-N 3.39Å; V312-F314 VanDerWaalsContact C-N 3.32Å; V312-F314 PolarHBondContact O-N 3.04Å; V312-L315 PolarHBondContact O-N 3.35Å; V312-V316 HydrophobicContact CG1-CG2 4.36Å; V312-V316 WeakPolarHBondContact O-CB 3.38Å; V312-V316 VanDerWaalsContact O-CG2 3.31Å; V312-V316 WeakPolarHBondContact O-CG2 3.32Å; V312-V316 PolarHBondContact O-N 3.35Å
313I89.8Confident87.9Confident36 Ų3674.1 Ų74.119%0.18541%0.412CS..Hα-helixtrans-59-44.6175.9-70.8162000110.6A278 L279 S309 A310 V316 V317A278-I313 HydrophobicContact CB-CD1 3.79Å; A278-I313 HydrophobicContact CB-CG1 4.28Å; L279-I313 HydrophobicContact CB-CD1 4.09Å; S309-I313 WeakPolarHBondContact O-CB 3.43Å; S309-I313 WeakPolarHBondContact O-CD1 3.46Å; S309-I313 WeakPolarHBondContact O-CG1 3.39Å; S309-I313 PolarHBondContact O-N 3.05Å; A310-I313 PolarHBondContact O-N 3.06Å; I313-V316 PolarHBondContact O-N 2.88Å; I313-V317 WeakPolarHBondContact O-CG2 3.38Å; I313-V317 PolarHBondContact O-N 2.92Å
314F89.9Confident88.4Confident138 Ų13873 Ų7361%0.60542%0.417SS*.Hα-helixtrans-61.3-48.4176.5179.1-101.9000112.1A310 G311 V312 V316 V317 V318A310-F314 WeakPolarHBondContact O-CB 3.5Å; A310-F314 PolarHBondContact O-N 2.99Å; G311-F314 PolarHBondContact O-N 3.41Å; V312-F314 VanDerWaalsContact C-N 3.32Å; V312-F314 PolarHBondContact O-N 3.04Å; F314-V316 VanDerWaalsContact C-N 3.32Å; F314-V316 PolarHBondContact O-N 3.44Å; F314-V317 PolarHBondContact O-N 3.47Å; F314-V318 HydrophobicContact CD1-CG2 4.35Å; F314-V318 HydrophobicContact CD2-CG2 4.43Å; F314-V318 HydrophobicContact CE1-CG2 3.97Å; F314-V318 HydrophobicContact CE2-CG2 4.05Å; F314-V318 HydrophobicContact CZ-CG2 3.81Å; F314-V318 WeakPolarHBondContact O-CG2 3.33Å; F314-V318 PolarHBondContact O-N 3.41Å
315L91.2Very high88.7Confident120 Ų12071.2 Ų71.263%0.62842%0.417SS*.Hα-helixtrans-62.3-36.5177.3-71.7171.8000112.7G311 V312 G319G311-L315 WeakPolarHBondContact O-CG 3.35Å; G311-L315 PolarHBondContact O-N 3.33Å; V312-L315 PolarHBondContact O-N 3.35Å; L315-G319 PolarHBondContact O-N 3.29Å
316V90.7Very high89Confident77 Ų7771 Ų7147%0.46741%0.412SS..Hα-helixtrans-66.6-45.1174.8168.10000111.3V312 I313 F314 G319 L320V312-V316 HydrophobicContact CG1-CG2 4.36Å; V312-V316 WeakPolarHBondContact O-CB 3.38Å; V312-V316 VanDerWaalsContact O-CG2 3.31Å; V312-V316 WeakPolarHBondContact O-CG2 3.32Å; V312-V316 PolarHBondContact O-N 3.35Å; I313-V316 PolarHBondContact O-N 2.88Å; F314-V316 VanDerWaalsContact C-N 3.32Å; F314-V316 PolarHBondContact O-N 3.44Å; V316-G319 PolarHBondContact O-N 3.13Å; V316-L320 HydrophobicContact CG1-CD1 3.77Å; V316-L320 HydrophobicContact CG1-CG 4.34Å; V316-L320 WeakPolarHBondContact O-CB 3.29Å; V316-L320 VanDerWaalsContact O-CG 3.29Å; V316-L320 WeakPolarHBondContact O-CG 3.44Å; V316-L320 PolarHBondContact O-N 3.1Å
317V88.7Confident89.3Confident34 Ų3472 Ų7221%0.20642%0.421CS..Hα-helixtrans-63.5-44.5177.3171.10000111.2M271 I313 F314 T321M271-V317 HydrophobicContact CB-CG1 3.87Å; M271-V317 HydrophobicContact CG-CG1 4.28Å; I313-V317 WeakPolarHBondContact O-CG2 3.38Å; I313-V317 PolarHBondContact O-N 2.92Å; F314-V317 PolarHBondContact O-N 3.47Å; V317-T321 WeakPolarHBondContact O-CB 3.43Å; V317-T321 PolarHBondContact O-N 3.17Å; V317-T321 PolarHBondContact O-OG1 3.38Å
318V89.2Confident89.6Confident71 Ų7171.1 Ų71.143%0.4342%0.423SS..Hα-helixtrans-62.8-45.5175.9172.30000110.9F314 T321 Y322F314-V318 HydrophobicContact CD1-CG2 4.35Å; F314-V318 HydrophobicContact CD2-CG2 4.43Å; F314-V318 HydrophobicContact CE1-CG2 3.97Å; F314-V318 HydrophobicContact CE2-CG2 4.05Å; F314-V318 HydrophobicContact CZ-CG2 3.81Å; F314-V318 WeakPolarHBondContact O-CG2 3.33Å; F314-V318 PolarHBondContact O-N 3.41Å; V318-T321 PolarHBondContact O-N 2.9Å; V318-Y322 WeakPolarHBondContact O-CB 3.29Å; V318-Y322 PolarHBondContact O-N 2.99Å
319G90.4Very high89.6Confident39 Ų3970.6 Ų70.640%0.40242%0.417SS..Hα-helixtrans-62.3-44.3178.500000113.5L315 V316 T321 Y322 A323L315-G319 PolarHBondContact O-N 3.29Å; V316-G319 PolarHBondContact O-N 3.13Å; G319-T321 VanDerWaalsContact C-N 3.32Å; G319-T321 PolarHBondContact O-N 3.33Å; G319-Y322 PolarHBondContact O-N 3.44Å; G319-A323 VanDerWaalsContact O-CB 3.23Å; G319-A323 WeakPolarHBondContact O-CB 3.36Å; G319-A323 PolarHBondContact O-N 2.94Å
320L91.1Very high89.6Confident71 Ų7172.3 Ų72.337%0.37243%0.429SS..Hα-helixtrans-67.5-30.3176.4-72.5171.7000113.1V316 V325 I326V316-L320 HydrophobicContact CG1-CD1 3.77Å; V316-L320 HydrophobicContact CG1-CG 4.34Å; V316-L320 WeakPolarHBondContact O-CB 3.29Å; V316-L320 VanDerWaalsContact O-CG 3.29Å; V316-L320 WeakPolarHBondContact O-CG 3.44Å; V316-L320 PolarHBondContact O-N 3.1Å; L320-V325 HydrophobicContact CD2-CB 4.36Å; L320-V325 HydrophobicContact CD2-CG1 4.46Å; L320-V325 PolarHBondContact O-N 2.99Å; L320-V325 VanDerWaalsContact O-N 3.13Å; L320-I326 HydrophobicContact CB-CD1 3.49Å; L320-I326 VanDerWaalsContact CB-CD1 3.49Å; L320-I326 HydrophobicContact CB-CG1 4.03Å; L320-I326 HydrophobicContact CD1-CD1 4.25Å; L320-I326 PolarHBondContact O-N 3.29Å; L320-I326 VanDerWaalsContact O-N 3.13Å
321T89.9Confident89.4Confident37 Ų3771.7 Ų71.723%0.22743%0.426CS..Hα-helixtrans-73.9-44.3174-50.80000111V317 V318 G319 A323 G324V317-T321 WeakPolarHBondContact O-CB 3.43Å; V317-T321 PolarHBondContact O-N 3.17Å; V317-T321 PolarHBondContact O-OG1 3.38Å; V318-T321 PolarHBondContact O-N 2.9Å; G319-T321 VanDerWaalsContact C-N 3.32Å; G319-T321 PolarHBondContact O-N 3.33Å; T321-A323 VanDerWaalsContact C-N 3.31Å; T321-A323 PolarHBondContact O-N 3.4Å; T321-G324 PolarHBondContact O-N 2.84Å; T321-G324 VanDerWaalsContact O-N 3.09Å
322Y90.3Very high89.2Confident217 Ų21776 Ų7685%0.85143%0.432SS*.Hα-helixtrans-66-33175.8-172.3-95.6000112.6V318 G319 G324V318-Y322 WeakPolarHBondContact O-CB 3.29Å; V318-Y322 PolarHBondContact O-N 2.99Å; G319-Y322 PolarHBondContact O-N 3.44Å; Y322-G324 PolarHBondContact O-N 3.42Å
323A91.3Very high89Confident69 Ų6976.2 Ų76.257%0.5743%0.428SS*.THydrogen-bonded Turntrans-73.4-0.5173.200000114.2G319 T321 V325G319-A323 VanDerWaalsContact O-CB 3.23Å; G319-A323 WeakPolarHBondContact O-CB 3.36Å; G319-A323 PolarHBondContact O-N 2.94Å; T321-A323 VanDerWaalsContact C-N 3.31Å; T321-A323 PolarHBondContact O-N 3.4Å; A323-V325 HydrophobicContact CB-CG2 4.26Å; A323-V325 PolarHBondContact O-N 3.32Å
324G88.8Confident89Confident60 Ų6077.8 Ų77.862%0.61943%0.433SS*.THydrogen-bonded Turntrans70.46.8179.100000115.4T321 Y322T321-G324 PolarHBondContact O-N 2.84Å; T321-G324 VanDerWaalsContact O-N 3.09Å; Y322-G324 PolarHBondContact O-N 3.42Å
325V89.2Confident89Confident99 Ų9971.7 Ų71.760%0.641%0.407SS*.SBendtrans-72.6-35.4175.5-1780000110.4L320 A323L320-V325 HydrophobicContact CD2-CB 4.36Å; L320-V325 HydrophobicContact CD2-CG1 4.46Å; L320-V325 PolarHBondContact O-N 2.99Å; L320-V325 VanDerWaalsContact O-N 3.13Å; A323-V325 HydrophobicContact CB-CG2 4.26Å; A323-V325 PolarHBondContact O-N 3.32Å
326I89.7Confident88.9Confident9 Ų966.9 Ų66.95%0.04638%0.382CS..SBendtrans-101.7124.2168.2-59.7166.2000107.6R266 M271 L320R266-I326 CarbonylContact O-C 3.59Å; R266-I326 WeakPolarHBondContact O-CA 3.39Å; M271-I326 HydrophobicContact CE-CG2 4.39Å; M271-I326 HydrophobicContact CG-CD1 4.06Å; M271-I326 HydrophobicContact CG-CG2 4.07Å; M271-I326 HydrophobicContact SD-CD1 3.68Å; M271-I326 HydrophobicContact SD-CG1 4.32Å; L320-I326 HydrophobicContact CB-CD1 3.49Å; L320-I326 VanDerWaalsContact CB-CD1 3.49Å; L320-I326 HydrophobicContact CB-CG1 4.03Å; L320-I326 HydrophobicContact CD1-CD1 4.25Å; L320-I326 PolarHBondContact O-N 3.29Å; L320-I326 VanDerWaalsContact O-N 3.13Å
327A89.4Confident88.9Confident44 Ų4472.3 Ų72.336%0.36439%0.394SS..BIsolated β-bridgetrans-65.9140.7173.400000111R266 S268R266-A327 WeakPolarHBondContact O-CB 3.33Å; R266-A327 PolarHBondContact O-N 3.48Å; S268-A327 PolarHBondContact N-O 3.45Å
328P90.2Very high88.9Confident97 Ų9773.5 Ų73.563%0.6340%0.399SS*.PPolyproline II helixtrans-64.8170.1177.629.8-36.5000111.9S330P328-S330 PolarHBondContact O-N 3.05Å
329W88.7Confident88.8Confident120 Ų12074.9 Ų74.946%0.45541%0.408SS..PPolyproline II helixtrans-51.4131.6171.6-58.489000111.3S268 E269 Y334S268-W329 PolarHBondContact OG-NE1 3.25Å; E269-W329 HydrophobicContact CB-CE3 4.39Å; E269-W329 HydrophobicContact CB-CZ3 4.24Å; E269-W329 HydrophobicContact CG-CD2 4.42Å; E269-W329 HydrophobicContact CG-CE3 3.54Å; E269-W329 HydrophobicContact CG-CZ3 3.84Å; W329-Y334 HydrophobicContact CB-CD2 4.29Å
330S86.3Confident88.6Confident53 Ų5374.4 Ų74.437%0.37140%0.403SS..PPolyproline II helixtrans-66.7146.6172.661.30000110.9E269 P328 R332 F333 Y334E269-S330 WeakPolarHBondContact OE1-CB 3.43Å; E269-S330 PolarHBondContact OE1-N 3Å; E269-S330 PolarHBondContact OE1-OG 3.33Å; P328-S330 PolarHBondContact O-N 3.05Å; S330-R332 PolarHBondContact O-N 2.91Å; S330-F333 PolarHBondContact O-N 3.3Å; S330-F333 WeakPolarHBondContact OG-CD2 3.17Å; S330-Y334 PolarHBondContact O-N 3.44Å
331G82.6Confident88.4Confident21 Ų2174.7 Ų74.722%0.21640%0.4CS..Hα-helixtrans-55-29.9-17000000115S335G331-S335 WeakPolarHBondContact O-CB 3.3Å; G331-S335 PolarHBondContact O-N 2.94Å; G331-S335 PolarHBondContact O-OG 3.14Å
332R83.5Confident88.1Confident122 Ų12273.1 Ų73.146%0.4639%0.39SS..Hα-helixtrans-70.9-33.5177.1-179.4177.5175174.40.8113.8S330 S335S330-R332 PolarHBondContact O-N 2.91Å; R332-S335 PolarHBondContact O-OG 3.02Å
333F88Confident87.6Confident66 Ų6670.6 Ų70.629%0.28938%0.384SS..Hα-helixtrans-85.1-34.2172.5-68.1-62.9000111.1V216 E269 S330 S335 L336V216-F333 HydrophobicContact CB-CE1 4.32Å; V216-F333 HydrophobicContact CB-CE2 4.42Å; V216-F333 HydrophobicContact CB-CZ 3.84Å; V216-F333 HydrophobicContact CG1-CE1 4.2Å; V216-F333 HydrophobicContact CG1-CE2 4.22Å; V216-F333 HydrophobicContact CG1-CZ 3.92Å; V216-F333 HydrophobicContact CG2-CE2 4.16Å; V216-F333 HydrophobicContact CG2-CZ 3.9Å; E269-F333 VanDerWaalsContact CD-CD2 3.44Å; E269-F333 HydrophobicContact CG-CD2 4.11Å; E269-F333 WeakPolarHBondContact OE1-CD2 3.36Å; S330-F333 PolarHBondContact O-N 3.3Å; S330-F333 WeakPolarHBondContact OG-CD2 3.17Å; F333-S335 VanDerWaalsContact C-N 3.29Å; F333-S335 PolarHBondContact O-N 3.08Å; F333-L336 HydrophobicContact CD1-CD1 4.24Å; F333-L336 WeakPolarHBondContact O-CB 3.44Å; F333-L336 PolarHBondContact O-N 3Å; F333-L336 VanDerWaalsContact O-N 3.11Å
334Y90.9Very high87.2Confident70 Ų7073.4 Ų73.428%0.27539%0.388SS..Hα-helixtrans-60.7-37.5174.2-168-95.3000112.3W329 S330 L336 W337 D338 Y341W329-Y334 HydrophobicContact CB-CD2 4.29Å; S330-Y334 PolarHBondContact O-N 3.44Å; Y334-L336 PolarHBondContact O-N 3.02Å; Y334-L336 VanDerWaalsContact O-N 3.17Å; Y334-W337 HydrophobicContact CD2-CE3 4.23Å; Y334-W337 AromaticContact CE2-CE3 3.61Å; Y334-W337 HydrophobicContact CE2-CE3 3.61Å; Y334-W337 AromaticContact CE2-CZ3 3.7Å; Y334-W337 HydrophobicContact CE2-CZ3 3.7Å; Y334-W337 AromaticContact CZ-CE3 3.91Å; Y334-W337 AromaticContact CZ-CZ3 3.91Å; Y334-W337 PolarHBondContact O-N 3.28Å; Y334-D338 HydrophobicContact CD1-CB 4.16Å; Y334-D338 HydrophobicContact CE1-CB 3.61Å; Y334-D338 PolarHBondContact O-N 2.95Å; Y334-Y341 AromaticContact CD1-CD1 3.76Å; Y334-Y341 HydrophobicContact CD1-CD1 3.76Å; Y334-Y341 HydrophobicContact CD1-CD2 4.1Å; Y334-Y341 HydrophobicContact CD1-CE1 4.29Å; Y334-Y341 AromaticContact CD1-CG 3.66Å; Y334-Y341 HydrophobicContact CD1-CG 3.66Å; Y334-Y341 HydrophobicContact CE1-CD1 4.27Å; Y334-Y341 AromaticContact CE1-CD2 3.76Å; Y334-Y341 HydrophobicContact CE1-CD2 3.76Å; Y334-Y341 HydrophobicContact CE1-CE2 4.37Å; Y334-Y341 AromaticContact CE1-CG 3.7Å; Y334-Y341 HydrophobicContact CE1-CG 3.7Å
335S88.3Confident87Confident10 Ų1076.2 Ų76.27%0.0739%0.385CS..THydrogen-bonded Turntrans-67.1-11.1176.260.70000115.2G331 R332 F333 W337 D338G331-S335 WeakPolarHBondContact O-CB 3.3Å; G331-S335 PolarHBondContact O-N 2.94Å; G331-S335 PolarHBondContact O-OG 3.14Å; R332-S335 PolarHBondContact O-OG 3.02Å; F333-S335 VanDerWaalsContact C-N 3.29Å; F333-S335 PolarHBondContact O-N 3.08Å; S335-W337 VanDerWaalsContact C-N 3.31Å; S335-D338 WeakPolarHBondContact CA-O 3.47Å
336L89.3Confident86.7Confident19 Ų1973.3 Ų73.310%0.09937%0.366CS..THydrogen-bonded Turntrans-83.5-9.1170.3-62.4174.6000112.7F333 Y334 Y401 F402 V405 M406 L409F333-L336 HydrophobicContact CD1-CD1 4.24Å; F333-L336 WeakPolarHBondContact O-CB 3.44Å; F333-L336 PolarHBondContact O-N 3Å; F333-L336 VanDerWaalsContact O-N 3.11Å; Y334-L336 PolarHBondContact O-N 3.02Å; Y334-L336 VanDerWaalsContact O-N 3.17Å; L336-Y401 PolarHBondContact O-OH 2.88Å; L336-F402 HydrophobicContact CB-CD1 4.2Å; L336-F402 HydrophobicContact CB-CE1 4.08Å; L336-F402 HydrophobicContact CD1-CD1 4.17Å; L336-F402 HydrophobicContact CD1-CE1 4.28Å; L336-V405 HydrophobicContact CD2-CG1 4.06Å; L336-M406 HydrophobicContact CD2-CB 4.08Å; L336-M406 HydrophobicContact CD2-CE 3.67Å; L336-M406 HydrophobicContact CD2-SD 4.14Å; L336-L409 HydrophobicContact CD1-CD1 4.05Å; L336-L409 HydrophobicContact CD2-CD1 3.85Å
337W90.6Very high86.5Confident190 Ų19074.4 Ų74.472%0.7237%0.373SS*.THydrogen-bonded Turntrans-109.8-51.6175.4-178.256.6000111.2Y334 S335Y334-W337 HydrophobicContact CD2-CE3 4.23Å; Y334-W337 AromaticContact CE2-CE3 3.61Å; Y334-W337 HydrophobicContact CE2-CE3 3.61Å; Y334-W337 AromaticContact CE2-CZ3 3.7Å; Y334-W337 HydrophobicContact CE2-CZ3 3.7Å; Y334-W337 AromaticContact CZ-CE3 3.91Å; Y334-W337 AromaticContact CZ-CZ3 3.91Å; Y334-W337 PolarHBondContact O-N 3.28Å; S335-W337 VanDerWaalsContact C-N 3.31Å
338D90.3Very high86.4Confident60 Ų6072.8 Ų72.832%0.32136%0.358SS..  trans-101.296.7169.6-177.7-10.6000110.1Y334 S335 G340 Y341Y334-D338 HydrophobicContact CD1-CB 4.16Å; Y334-D338 HydrophobicContact CE1-CB 3.61Å; Y334-D338 PolarHBondContact O-N 2.95Å; S335-D338 WeakPolarHBondContact CA-O 3.47Å; D338-G340 PolarHBondContact O-N 3.33Å; D338-G340 WeakPolarHBondContact OD1-CA 3.15Å; D338-G340 PolarHBondContact OD1-N 3.14Å; D338-Y341 PolarHBondContact O-N 3.35Å; D338-Y341 PolarHBondContact OD1-N 3.04Å
339T85.8Confident86.1Confident100 Ų10069.4 Ų69.461%0.61334%0.335SS*.THydrogen-bonded Turntrans-70.1-11.6179.257.90000113.7V405T339-V405 HydrophobicContact CG2-CG1 3.79Å
340G86.4Confident85.9Confident29 Ų2964.7 Ų64.730%0.29932%0.319SS..THydrogen-bonded Turntrans-85.2-37.2174.200000113D338 A342 K343 I344D338-G340 PolarHBondContact O-N 3.33Å; D338-G340 WeakPolarHBondContact OD1-CA 3.15Å; D338-G340 PolarHBondContact OD1-N 3.14Å; G340-A342 PolarHBondContact O-N 3.29Å; G340-K343 WeakPolarHBondContact O-CB 3.28Å; G340-K343 PolarHBondContact O-N 3.18Å; G340-I344 PolarHBondContact O-N 2.85Å
341Y87.4Confident85.9Confident76 Ų7663.3 Ų63.330%0.29831%0.31SS..Hα-helixtrans-49.4-52.1-171.3-175.4-98000114.2Y334 D338 K343 I344 H345 I346Y334-Y341 AromaticContact CD1-CD1 3.76Å; Y334-Y341 HydrophobicContact CD1-CD1 3.76Å; Y334-Y341 HydrophobicContact CD1-CD2 4.1Å; Y334-Y341 HydrophobicContact CD1-CE1 4.29Å; Y334-Y341 AromaticContact CD1-CG 3.66Å; Y334-Y341 HydrophobicContact CD1-CG 3.66Å; Y334-Y341 HydrophobicContact CE1-CD1 4.27Å; Y334-Y341 AromaticContact CE1-CD2 3.76Å; Y334-Y341 HydrophobicContact CE1-CD2 3.76Å; Y334-Y341 HydrophobicContact CE1-CE2 4.37Å; Y334-Y341 AromaticContact CE1-CG 3.7Å; Y334-Y341 HydrophobicContact CE1-CG 3.7Å; D338-Y341 PolarHBondContact O-N 3.35Å; D338-Y341 PolarHBondContact OD1-N 3.04Å; Y341-K343 VanDerWaalsContact C-N 3.29Å; Y341-K343 PolarHBondContact O-N 2.97Å; Y341-I344 PolarHBondContact O-N 2.95Å; Y341-H345 AromaticContact CD2-CD2 3.52Å; Y341-H345 HydrophobicContact CE1-CB 4.36Å; Y341-H345 HydrophobicContact CE2-CB 4.29Å; Y341-H345 AromaticContact CE2-CD2 3.5Å; Y341-H345 VanDerWaalsContact CE2-CD2 3.5Å; Y341-H345 WeakPolarHBondContact CE2-CD2 3.35Å; Y341-H345 PolarHBondContact O-N 3.33Å; Y341-I346 HydrophobicContact CE1-CD1 3.83Å; Y341-I346 HydrophobicContact CE1-CG1 4.24Å
342A82.6Confident86.1Confident4 Ų464 Ų643%0.03331%0.31CS..Hα-helixtrans-62.2-34.7-177.100000112.9G340 I344 I346 I349 T350G340-A342 PolarHBondContact O-N 3.29Å; A342-I344 VanDerWaalsContact C-N 3.29Å; A342-I344 PolarHBondContact O-N 3.08Å; A342-I346 CarbonylContact O-C 3.56Å; A342-I346 PolarHBondContact O-N 2.95Å; A342-I346 VanDerWaalsContact O-N 3.16Å; A342-I349 HydrophobicContact CB-CB 4.08Å; A342-I349 HydrophobicContact CB-CG2 3.87Å; A342-T350 HydrophobicContact CB-CG2 3.76Å
343K80.8Confident86.2Confident164 Ų16462.7 Ų62.771%0.71332%0.319SS*.Hα-helixtrans-69.8-28.4-179.7-172.2176176.1-179.20112.6G340 Y341 T350G340-K343 WeakPolarHBondContact O-CB 3.28Å; G340-K343 PolarHBondContact O-N 3.18Å; Y341-K343 VanDerWaalsContact C-N 3.29Å; Y341-K343 PolarHBondContact O-N 2.97Å; K343-T350 HydrophobicContact CB-CG2 4.06Å
344I82.8Confident86Confident128 Ų12861.4 Ų61.466%0.65631%0.314SS*.Hα-helixtrans-93.3-45.8-176.1-60.6173.3000111G340 Y341 A342G340-I344 PolarHBondContact O-N 2.85Å; Y341-I344 PolarHBondContact O-N 2.95Å; A342-I344 VanDerWaalsContact C-N 3.29Å; A342-I344 PolarHBondContact O-N 3.08Å
345H83.7Confident85.9Confident120 Ų12059.6 Ų59.656%0.55631%0.308SS*.Hα-helixtrans-105-25.8-168-63.9-69.1000115Y341Y341-H345 AromaticContact CD2-CD2 3.52Å; Y341-H345 HydrophobicContact CE1-CB 4.36Å; Y341-H345 HydrophobicContact CE2-CB 4.29Å; Y341-H345 AromaticContact CE2-CD2 3.5Å; Y341-H345 VanDerWaalsContact CE2-CD2 3.5Å; Y341-H345 WeakPolarHBondContact CE2-CD2 3.35Å; Y341-H345 PolarHBondContact O-N 3.33Å
346I83.7Confident85.8Confident38 Ų3863.2 Ų63.220%0.19532%0.324CS..  trans-138.570.4-172.1-45-177.5000109.7Y341 A342 I348 I349Y341-I346 HydrophobicContact CE1-CD1 3.83Å; Y341-I346 HydrophobicContact CE1-CG1 4.24Å; A342-I346 CarbonylContact O-C 3.56Å; A342-I346 PolarHBondContact O-N 2.95Å; A342-I346 VanDerWaalsContact O-N 3.16Å; I346-I348 HydrophobicContact CG2-CG2 4.03Å; I346-I348 PolarHBondContact O-N 2.7Å; I346-I349 HydrophobicContact CB-CD1 4.01Å; I346-I349 HydrophobicContact CB-CG1 4.34Å; I346-I349 HydrophobicContact CD1-CD1 4.18Å; I346-I349 HydrophobicContact CG2-CD1 3.72Å; I346-I349 HydrophobicContact CG2-CG1 3.8Å; I346-I349 PolarHBondContact O-N 2.92Å
347P85.3Confident85.9Confident32 Ų3266.5 Ų66.521%0.20835%0.346CS..Hα-helixtrans-57.5-27.4-170.121.1-33000113.7I349 T350 S351 W641 I645P347-I349 PolarHBondContact O-N 3.11Å; P347-T350 CarbonylContact O-C 3.47Å; P347-T350 PolarHBondContact O-N 3.27Å; P347-T350 PolarHBondContact O-OG1 2.92Å; P347-T350 VanDerWaalsContact O-OG1 3.1Å; P347-S351 PolarHBondContact O-N 3.47Å; P347-W641 HydrophobicContact CB-CZ3 4.4Å; P347-I645 HydrophobicContact CB-CG1 4.45Å; P347-I645 HydrophobicContact CG-CG1 4.18Å
348I86.9Confident86Confident10 Ų1058.4 Ų58.45%0.05132%0.318CS..Hα-helixtrans-61.9-28.1178.2-154162.2000113.4I346 S351 W569 T589 I595 I645I346-I348 HydrophobicContact CG2-CG2 4.03Å; I346-I348 PolarHBondContact O-N 2.7Å; I348-S351 WeakPolarHBondContact CA-OG 3.19Å; I348-S351 PolarHBondContact O-OG 3.18Å; I348-W569 HydrophobicContact CG1-CZ2 4.37Å; I348-T589 HydrophobicContact CD1-CG2 3.74Å; I348-T589 HydrophobicContact CG1-CG2 4.26Å; I348-I595 HydrophobicContact CD1-CD1 3.52Å; I348-I595 HydrophobicContact CD1-CG2 4.15Å; I348-I645 HydrophobicContact CB-CD1 4.12Å; I348-I645 HydrophobicContact CD1-CD1 4.26Å; I348-I645 HydrophobicContact CG1-CD1 3.98Å
349I84Confident86.2Confident25 Ų2558.2 Ų58.213%0.12832%0.321CS..Hα-helixtrans-71-33.6173.1-62.3176.9000110.4A342 I346 P347 H355A342-I349 HydrophobicContact CB-CB 4.08Å; A342-I349 HydrophobicContact CB-CG2 3.87Å; I346-I349 HydrophobicContact CB-CD1 4.01Å; I346-I349 HydrophobicContact CB-CG1 4.34Å; I346-I349 HydrophobicContact CD1-CD1 4.18Å; I346-I349 HydrophobicContact CG2-CD1 3.72Å; I346-I349 HydrophobicContact CG2-CG1 3.8Å; I346-I349 PolarHBondContact O-N 2.92Å; P347-I349 PolarHBondContact O-N 3.11Å; I349-H355 WeakPolarHBondContact O-CB 3.27Å; I349-H355 PolarHBondContact O-CD2 3.29Å; I349-H355 VanDerWaalsContact O-CD2 3.28Å
350T85.3Confident86.6Confident21 Ų2163.6 Ų63.613%0.12933%0.33CS..Hα-helixtrans-90.4-13.3-179.157.10000114.6A342 K343 P347 V352 Q356A342-T350 HydrophobicContact CB-CG2 3.76Å; K343-T350 HydrophobicContact CB-CG2 4.06Å; P347-T350 CarbonylContact O-C 3.47Å; P347-T350 PolarHBondContact O-N 3.27Å; P347-T350 PolarHBondContact O-OG1 2.92Å; P347-T350 VanDerWaalsContact O-OG1 3.1Å; T350-V352 VanDerWaalsContact C-N 3.27Å; T350-V352 PolarHBondContact O-N 3.4Å; T350-Q356 PolarHBondContact O-NE2 3.34Å
351S86.2Confident87Confident25 Ų2564.4 Ų64.418%0.17533%0.334CS..Hα-helixtrans-69.4-22168.247.80000113.7P347 I348 S353P347-S351 PolarHBondContact O-N 3.47Å; I348-S351 WeakPolarHBondContact CA-OG 3.19Å; I348-S351 PolarHBondContact O-OG 3.18Å; S351-S353 PolarHBondContact O-N 3.3Å
352V86.3Confident87.2Confident35 Ų3562.6 Ų62.621%0.21233%0.333CS..SBendtrans-73.4119.9176.4-178.90000109.8T350 E354 H355 W569T350-V352 VanDerWaalsContact C-N 3.27Å; T350-V352 PolarHBondContact O-N 3.4Å; V352-E354 HydrophobicContact CG1-CB 3.93Å; V352-E354 HydrophobicContact CG1-CG 3.87Å; V352-E354 PolarHBondContact O-N 3.32Å; V352-H355 HydrophobicContact CB-CB 4.25Å; V352-H355 PolarHBondContact O-N 2.95Å; V352-H355 VanDerWaalsContact O-N 3.1Å; V352-W569 HydrophobicContact CG2-CH2 4.1Å
353S85.8Confident87.8Confident94 Ų9464.2 Ų64.266%0.65734%0.339SS*.G310 helixtrans-59.4-32.3179.655.20000113.3S351 H355 Q356S351-S353 PolarHBondContact O-N 3.3Å; S353-H355 PolarHBondContact O-N 2.91Å; S353-Q356 WeakPolarHBondContact O-CB 3.26Å; S353-Q356 WeakPolarHBondContact O-CG 3.35Å; S353-Q356 PolarHBondContact O-N 3.02Å
354E84.5Confident88.4Confident39 Ų3961.1 Ų61.118%0.18233%0.326CS..G310 helixtrans-70.6-16.6178.7-37-174.4141.900114.4R163 V352 Q356 M406 V407 R408R163-E354 IonicContact CZ-OE1 3.99Å; R163-E354 IonicContact CZ-OE2 3.14Å; R163-E354 IonicContact NH1-OE1 3.78Å; R163-E354 PolarHBondContact NH1-OE1 3.3Å; R163-E354 IonicContact NH1-OE2 2.96Å; R163-E354 IonicContact NH2-OE1 3.98Å; R163-E354 PolarHBondContact NH2-OE1 3.15Å; R163-E354 IonicContact NH2-OE2 3.98Å; V352-E354 HydrophobicContact CG1-CB 3.93Å; V352-E354 HydrophobicContact CG1-CG 3.87Å; V352-E354 PolarHBondContact O-N 3.32Å; E354-Q356 VanDerWaalsContact C-N 3.35Å; E354-M406 VanDerWaalsContact O-CG 3.3Å; E354-M406 WeakPolarHBondContact O-CG 3.5Å; E354-V407 PolarHBondContact O-N 2.88Å; E354-R408 HydrophobicContact CB-CB 4.09Å; E354-R408 PolarHBondContact O-N 3.41Å; E354-R408 VanDerWaalsContact O-N 3.13Å; E354-R408 IonicContact OE1-NH1 3.02Å; E354-R408 WeakPolarHBondContact OE2-CD 3.16Å; E354-R408 IonicContact OE2-CZ 3.99Å; E354-R408 IonicContact OE2-NE 2.83Å; E354-R408 IonicContact OE2-NH1 3.52Å; E354-R408 PolarHBondContact OE2-NH1 2.77Å
355H86.9Confident89Confident33 Ų3358.2 Ų58.215%0.15331%0.308CS..G310 helixtrans-92.73.9-180-69.1-11.1000113I349 V352 S353 M406I349-H355 WeakPolarHBondContact O-CB 3.27Å; I349-H355 PolarHBondContact O-CD2 3.29Å; I349-H355 VanDerWaalsContact O-CD2 3.28Å; V352-H355 HydrophobicContact CB-CB 4.25Å; V352-H355 PolarHBondContact O-N 2.95Å; V352-H355 VanDerWaalsContact O-N 3.1Å; S353-H355 PolarHBondContact O-N 2.91Å; H355-M406 HydrophobicContact CB-CE 4Å; H355-M406 WeakPolarHBondContact ND1-CE 3.44Å; H355-M406 PolarHBondContact ND1-SD 3.45Å; H355-M406 VanDerWaalsContact ND1-SD 3.36Å
356Q87.4Confident89.5Confident86 Ų8653.4 Ų53.440%0.40229%0.287SS..SBendtrans-76.3156.2169.6-58.8-58.8-40.400111.4T350 S353 E354 V407T350-Q356 PolarHBondContact O-NE2 3.34Å; S353-Q356 WeakPolarHBondContact O-CB 3.26Å; S353-Q356 WeakPolarHBondContact O-CG 3.35Å; S353-Q356 PolarHBondContact O-N 3.02Å; E354-Q356 VanDerWaalsContact C-N 3.35Å; Q356-V407 WeakPolarHBondContact O-CG2 3.42Å; Q356-V407 PolarHBondContact O-N 3.37Å
357P91.5Very high89.9Confident87 Ų8751.6 Ų51.657%0.56528%0.278SS*.PPolyproline II helixtrans-71.4152.5175.729.9-36.1000112.6V405P357-V405 WeakPolarHBondContact CA-O 3.35Å
358T92Very high90.4Very high21 Ų2151.7 Ų51.713%0.12928%0.275CS..PPolyproline II helixtrans-78140.1179.448.10000113.1F363 A403 G404 V407 M410T358-F363 WeakPolarHBondContact OG1-CE2 3.47Å; T358-F363 WeakPolarHBondContact OG1-CZ 3.19Å; T358-A403 WeakPolarHBondContact CG2-O 3.35Å; T358-A403 PolarHBondContact OG1-O 3.25Å; T358-G404 PolarHBondContact N-O 3.1Å; T358-G404 WeakPolarHBondContact OG1-CA 3.49Å; T358-G404 PolarHBondContact OG1-O 3.13Å; T358-V407 HydrophobicContact CG2-CB 4.27Å; T358-V407 HydrophobicContact CG2-CG2 3.74Å; T358-M410 HydrophobicContact CG2-CE 3.83Å
359S94.1Very high90.6Very high56 Ų5652.3 Ų52.339%0.39228%0.279SS..PPolyproline II helixtrans-82.6154.8166.780.50000111.5A361 S362 F363S359-A361 PolarHBondContact O-N 2.8Å; S359-A361 PolarHBondContact OG-N 2.69Å; S359-S362 VanDerWaalsContact O-CB 3.29Å; S359-S362 WeakPolarHBondContact O-CB 3.25Å; S359-S362 PolarHBondContact O-N 3.1Å; S359-S362 PolarHBondContact OG-N 3.05Å; S359-S362 VanDerWaalsContact OG-N 3.11Å; S359-S362 PolarHBondContact OG-OG 3.46Å; S359-F363 WeakPolarHBondContact O-CD2 3.42Å; S359-F363 PolarHBondContact O-N 3.5Å
360W94.4Very high91.1Very high212 Ų21251.1 Ų51.180%0.80327%0.273SS*.Hα-helixtrans-59.7-30.7172.772.5-96.6000112.4S362 F363 F364W360-S362 VanDerWaalsContact C-N 3.31Å; W360-S362 PolarHBondContact O-N 3.09Å; W360-F363 PolarHBondContact O-N 2.85Å; W360-F364 PolarHBondContact O-N 3.2Å
361A94.5Very high91.5Very high46 Ų4652.5 Ų52.538%0.3828%0.279SS..Hα-helixtrans-64.7-36.8175.700000111.3S359 F364 F365S359-A361 PolarHBondContact O-N 2.8Å; S359-A361 PolarHBondContact OG-N 2.69Å; A361-F364 PolarHBondContact O-N 3.25Å; A361-F365 VanDerWaalsContact O-CB 3.29Å; A361-F365 WeakPolarHBondContact O-CB 3.49Å; A361-F365 PolarHBondContact O-N 2.95Å
362S92.8Very high91.8Very high38 Ų3855 Ų5527%0.26630%0.301SS..Hα-helixtrans-62.7-45.3173.7-48.60000111.6S359 W360 F364 F365 D366S359-S362 VanDerWaalsContact O-CB 3.29Å; S359-S362 WeakPolarHBondContact O-CB 3.25Å; S359-S362 PolarHBondContact O-N 3.1Å; S359-S362 PolarHBondContact OG-N 3.05Å; S359-S362 VanDerWaalsContact OG-N 3.11Å; S359-S362 PolarHBondContact OG-OG 3.46Å; W360-S362 VanDerWaalsContact C-N 3.31Å; W360-S362 PolarHBondContact O-N 3.09Å; S362-F364 VanDerWaalsContact C-N 3.28Å; S362-F364 PolarHBondContact O-N 3.28Å; S362-F365 PolarHBondContact O-N 3.06Å; S362-D366 WeakPolarHBondContact O-CB 3.31Å; S362-D366 PolarHBondContact O-N 3.19Å
363F93.9Very high92.2Very high39 Ų3954.7 Ų54.717%0.17130%0.3CS..Hα-helixtrans-58.5-39174.6-75.2-83.6000112.9T358 S359 W360 L367 I371 A403 M410 L413T358-F363 WeakPolarHBondContact OG1-CE2 3.47Å; T358-F363 WeakPolarHBondContact OG1-CZ 3.19Å; S359-F363 WeakPolarHBondContact O-CD2 3.42Å; S359-F363 PolarHBondContact O-N 3.5Å; W360-F363 PolarHBondContact O-N 2.85Å; F363-L367 HydrophobicContact CD1-CD1 4.49Å; F363-L367 WeakPolarHBondContact O-CB 3.23Å; F363-L367 PolarHBondContact O-N 2.94Å; F363-I371 HydrophobicContact CB-CG1 4.5Å; F363-I371 HydrophobicContact CD1-CD1 4.29Å; F363-A403 HydrophobicContact CE1-CB 4.27Å; F363-A403 HydrophobicContact CZ-CB 4.41Å; F363-M410 HydrophobicContact CB-CE 4.4Å; F363-M410 HydrophobicContact CD1-CE 3.45Å; F363-M410 VanDerWaalsContact CD1-CE 3.45Å; F363-M410 HydrophobicContact CD1-SD 3.73Å; F363-M410 HydrophobicContact CD2-CE 4.12Å; F363-M410 HydrophobicContact CE1-CE 3.62Å; F363-M410 HydrophobicContact CE1-SD 3.81Å; F363-M410 HydrophobicContact CE2-CE 4.29Å; F363-M410 HydrophobicContact CG-CE 3.72Å; F363-M410 HydrophobicContact CZ-CE 4.05Å; F363-L413 HydrophobicContact CD1-CD2 4.19Å; F363-L413 HydrophobicContact CE1-CD2 3.65Å
364F95Very high92.5Very high98 Ų9851.2 Ų51.243%0.4327%0.273SS..Hα-helixtrans-73.3-37.7177-172-97.9000112.5W360 A361 S362 H368W360-F364 PolarHBondContact O-N 3.2Å; A361-F364 PolarHBondContact O-N 3.25Å; S362-F364 VanDerWaalsContact C-N 3.28Å; S362-F364 PolarHBondContact O-N 3.28Å; F364-H368 AromaticContact CE1-ND1 3.77Å; F364-H368 AromaticContact CE2-ND1 3.6Å; F364-H368 AromaticContact CZ-CE1 3.67Å; F364-H368 AromaticContact CZ-ND1 3.2Å; F364-H368 WeakPolarHBondContact CZ-ND1 3.28Å; F364-H368 WeakPolarHBondContact O-CA 3.23Å; F364-H368 PolarHBondContact O-N 3.01Å
365F94.5Very high93Very high67 Ų6753 Ų5329%0.29429%0.288SS..Hα-helixtrans-67.6-35.8178-168.1-97.9000112.8A361 S362 H517 W520 V521 A525 Y526A361-F365 VanDerWaalsContact O-CB 3.29Å; A361-F365 WeakPolarHBondContact O-CB 3.49Å; A361-F365 PolarHBondContact O-N 2.95Å; S362-F365 PolarHBondContact O-N 3.06Å; F365-H517 PolarHBondContact O-CE1 3.48Å; F365-W520 AromaticContact CE2-CZ3 4Å; F365-W520 HydrophobicContact CE2-CZ3 4Å; F365-V521 HydrophobicContact CD1-CG1 4.06Å; F365-V521 HydrophobicContact CD2-CG2 4.34Å; F365-V521 HydrophobicContact CE1-CG1 3.45Å; F365-V521 VanDerWaalsContact CE1-CG1 3.45Å; F365-V521 HydrophobicContact CE1-CG2 4.3Å; F365-V521 HydrophobicContact CE2-CG2 3.98Å; F365-V521 HydrophobicContact CZ-CB 4.38Å; F365-V521 HydrophobicContact CZ-CG1 3.72Å; F365-V521 HydrophobicContact CZ-CG2 3.96Å; F365-A525 HydrophobicContact CE1-CB 3.96Å; F365-A525 HydrophobicContact CZ-CB 3.75Å; F365-Y526 HydrophobicContact CE1-CE2 4.33Å
366D93.9Very high93.3Very high19 Ų1953.9 Ų53.910%0.10230%0.3CS..Hα-helixtrans-85.5-23.7-175-70.826.9000113P158 G159 S362 M410 Y526P158-D366 WeakPolarHBondContact CD-O 3.47Å; G159-D366 PolarHBondContact N-O 2.85Å; S362-D366 WeakPolarHBondContact O-CB 3.31Å; S362-D366 PolarHBondContact O-N 3.19Å; D366-M410 HydrophobicContact CB-CG 4.24Å; D366-M410 WeakPolarHBondContact OD2-CG 3.43Å; D366-Y526 PolarHBondContact OD1-OH 3.14Å
367L93.5Very high93.6Very high1 Ų149.8 Ų49.81%0.00528%0.281CS..Hα-helixtrans-131.5-18.7-168.6-56.9167.8000114.7F363 V369 L370 I371 M410 T414 V417F363-L367 HydrophobicContact CD1-CD1 4.49Å; F363-L367 WeakPolarHBondContact O-CB 3.23Å; F363-L367 PolarHBondContact O-N 2.94Å; L367-V369 PolarHBondContact O-N 3.35Å; L367-V369 VanDerWaalsContact O-N 3.14Å; L367-L370 HydrophobicContact CB-CB 4.4Å; L367-L370 WeakPolarHBondContact O-CB 3.41Å; L367-L370 WeakPolarHBondContact O-CG 3.43Å; L367-L370 PolarHBondContact O-N 2.7Å; L367-I371 HydrophobicContact CB-CB 4.38Å; L367-I371 HydrophobicContact CD1-CD1 4.04Å; L367-M410 HydrophobicContact CD1-SD 4.25Å; L367-T414 HydrophobicContact CD2-CG2 4.13Å; L367-V417 HydrophobicContact CD1-CG1 4.21Å; L367-V417 HydrophobicContact CD1-CG2 4.28Å; L367-V417 HydrophobicContact CD2-CB 4.41Å; L367-V417 HydrophobicContact CD2-CG1 4.04Å
368H94.2Very high93.7Very high34 Ų3446.9 Ų46.916%0.15726%0.262CS..THydrogen-bonded Turntrans43.2-110.4-179.6-173.327.1000114.3F364 L370 I371 F514 H517F364-H368 AromaticContact CE1-ND1 3.77Å; F364-H368 AromaticContact CE2-ND1 3.6Å; F364-H368 AromaticContact CZ-CE1 3.67Å; F364-H368 AromaticContact CZ-ND1 3.2Å; F364-H368 WeakPolarHBondContact CZ-ND1 3.28Å; F364-H368 WeakPolarHBondContact O-CA 3.23Å; F364-H368 PolarHBondContact O-N 3.01Å; H368-L370 VanDerWaalsContact C-N 3.26Å; H368-L370 PolarHBondContact O-N 2.99Å; H368-I371 WeakPolarHBondContact O-CG2 3.4Å; H368-F514 HydrophobicContact CB-CD2 4.37Å; H368-H517 VanDerWaalsContact CD2-CB 3.47Å; H368-H517 WeakPolarHBondContact CD2-CB 3.42Å; H368-H517 AromaticContact CD2-CD2 3.9Å; H368-H517 AromaticContact CD2-CG 3.49Å; H368-H517 VanDerWaalsContact CD2-CG 3.49Å; H368-H517 AromaticContact CD2-ND1 3.92Å; H368-H517 AromaticContact CG-CG 3.84Å; H368-H517 AromaticContact CG-ND1 3.92Å
369V92.8Very high93.8Very high22 Ų2253.6 Ų53.613%0.13329%0.289CS..THydrogen-bonded Turntrans-63.2-31.8-178.4177.80000112.2L367 I371 A372 T373 F425 I510 F514L367-V369 PolarHBondContact O-N 3.35Å; L367-V369 VanDerWaalsContact O-N 3.14Å; V369-I371 VanDerWaalsContact C-N 3.29Å; V369-I371 PolarHBondContact O-N 3.39Å; V369-A372 PolarHBondContact O-N 3Å; V369-A372 VanDerWaalsContact O-N 3.1Å; V369-T373 PolarHBondContact O-N 3.13Å; V369-F425 HydrophobicContact CG1-CE2 4.38Å; V369-F425 HydrophobicContact CG1-CZ 3.91Å; V369-I510 HydrophobicContact CB-CG2 4.37Å; V369-I510 HydrophobicContact CG1-CG2 3.54Å; V369-I510 HydrophobicContact CG2-CG2 3.88Å; V369-F514 HydrophobicContact CB-CD2 4.37Å; V369-F514 HydrophobicContact CG2-CB 4.13Å
370L94.3Very high93.7Very high1 Ų152.6 Ų52.61%0.00528%0.279CS..Hα-helixtrans-65.4-30.8-171.6-53.2178.4000112.5F153 L367 H368 A372 T373 F374 V417 S421 F514F153-L370 HydrophobicContact CB-CD1 4.42Å; F153-L370 HydrophobicContact CD1-CD2 4.44Å; F153-L370 HydrophobicContact CD2-CD2 3.87Å; F153-L370 HydrophobicContact CE2-CD2 4.13Å; F153-L370 HydrophobicContact CG-CD2 4.05Å; L367-L370 HydrophobicContact CB-CB 4.4Å; L367-L370 WeakPolarHBondContact O-CB 3.41Å; L367-L370 WeakPolarHBondContact O-CG 3.43Å; L367-L370 PolarHBondContact O-N 2.7Å; H368-L370 VanDerWaalsContact C-N 3.26Å; H368-L370 PolarHBondContact O-N 2.99Å; L370-A372 PolarHBondContact O-N 3.02Å; L370-T373 PolarHBondContact O-N 3.1Å; L370-T373 PolarHBondContact O-OG1 2.98Å; L370-F374 WeakPolarHBondContact O-CB 3.18Å; L370-F374 PolarHBondContact O-N 3.14Å; L370-V417 HydrophobicContact CB-CG1 3.59Å; L370-V417 HydrophobicContact CD1-CG1 4.49Å; L370-S421 WeakPolarHBondContact CB-OG 3.46Å; L370-S421 PolarHBondContact O-OG 3.25Å; L370-F514 HydrophobicContact CD1-CE2 3.76Å; L370-F514 HydrophobicContact CD1-CZ 3.65Å; L370-F514 HydrophobicContact CD2-CE2 4.22Å; L370-F514 HydrophobicContact CD2-CZ 4.22Å; L370-F514 HydrophobicContact CG-CD2 4.36Å; L370-F514 HydrophobicContact CG-CE2 3.65Å; L370-F514 HydrophobicContact CG-CZ 3.93Å
371I93.5Very high93.5Very high50 Ų5042.5 Ų42.526%0.25624%0.241SC..Hα-helixtrans-67.2-26.8177.7-159.761.8000112.2F363 L367 H368 V369 P375F363-I371 HydrophobicContact CB-CG1 4.5Å; F363-I371 HydrophobicContact CD1-CD1 4.29Å; L367-I371 HydrophobicContact CB-CB 4.38Å; L367-I371 HydrophobicContact CD1-CD1 4.04Å; H368-I371 WeakPolarHBondContact O-CG2 3.4Å; V369-I371 VanDerWaalsContact C-N 3.29Å; V369-I371 PolarHBondContact O-N 3.39Å; I371-P375 VanDerWaalsContact O-CD 3.31Å; I371-P375 WeakPolarHBondContact O-CD 3.48Å
372A92.5Very high93.4Very high77 Ų7745.3 Ų45.364%0.63625%0.245SC*.Hα-helixtrans-82-33.3177.700000112.7V369 L370V369-A372 PolarHBondContact O-N 3Å; V369-A372 VanDerWaalsContact O-N 3.1Å; L370-A372 PolarHBondContact O-N 3.02Å
373T93.3Very high93.3Very high28 Ų2851.3 Ų51.317%0.17227%0.266CS..Hα-helixtrans-87-20.1177.553.80000113.5V369 L370 A376 G377 S421 F425V369-T373 PolarHBondContact O-N 3.13Å; L370-T373 PolarHBondContact O-N 3.1Å; L370-T373 PolarHBondContact O-OG1 2.98Å; T373-A376 WeakPolarHBondContact O-CB 3.3Å; T373-A376 PolarHBondContact O-N 3.4Å; T373-A376 VanDerWaalsContact O-N 3.1Å; T373-G377 PolarHBondContact O-N 3.11Å; T373-S421 WeakPolarHBondContact OG1-CB 3.34Å; T373-S421 PolarHBondContact OG1-OG 3.47Å; T373-F425 HydrophobicContact CG2-CE2 3.93Å; T373-F425 HydrophobicContact CG2-CZ 3.87Å
374F93.9Very high93.1Very high22 Ų2253 Ų5310%0.09628%0.277CS..Hα-helixtrans-51.9-51.4177.1168-112.6000114.1L370 A376 G377 V378 A396 V417 F420L370-F374 WeakPolarHBondContact O-CB 3.18Å; L370-F374 PolarHBondContact O-N 3.14Å; F374-A376 VanDerWaalsContact C-N 3.27Å; F374-A376 PolarHBondContact O-N 2.93Å; F374-G377 PolarHBondContact O-N 3.38Å; F374-V378 HydrophobicContact CD2-CG2 4.27Å; F374-V378 HydrophobicContact CE2-CG2 4Å; F374-V378 HydrophobicContact CZ-CG2 4.26Å; F374-V378 WeakPolarHBondContact O-CG2 3.32Å; F374-V378 PolarHBondContact O-N 3.29Å; F374-A396 HydrophobicContact CE2-CB 3.84Å; F374-A396 HydrophobicContact CZ-CB 3.76Å; F374-V417 HydrophobicContact CB-CG1 4.36Å; F374-V417 HydrophobicContact CD1-CG2 4.46Å; F374-V417 HydrophobicContact CD2-CB 4.32Å; F374-V417 HydrophobicContact CD2-CG2 3.8Å; F374-V417 HydrophobicContact CE2-CG2 3.98Å; F374-V417 HydrophobicContact CG-CG2 4.05Å; F374-V417 HydrophobicContact CZ-CG2 4.39Å; F374-F420 HydrophobicContact CD2-CB 3.83Å; F374-F420 HydrophobicContact CD2-CD2 4.11Å; F374-F420 HydrophobicContact CD2-CG 4.28Å; F374-F420 HydrophobicContact CE2-CB 4.38Å; F374-F420 AromaticContact CE2-CD2 3.78Å; F374-F420 HydrophobicContact CE2-CD2 3.78Å; F374-F420 HydrophobicContact CE2-CE2 4.49Å; F374-F420 HydrophobicContact CE2-CG 4.38Å
375P94.4Very high92.9Very high77 Ų7751.1 Ų51.150%0.527%0.271SS..Hα-helixtrans-62.4-31.3176.8-23.934.9000113.9I371 V378 K379I371-P375 VanDerWaalsContact O-CD 3.31Å; I371-P375 WeakPolarHBondContact O-CD 3.48Å; P375-V378 PolarHBondContact O-N 3.33Å; P375-K379 WeakPolarHBondContact O-CB 3.41Å; P375-K379 PolarHBondContact O-N 3.42Å
376A93.2Very high92.7Very high50 Ų5051.2 Ų51.241%0.41328%0.275SS..Hα-helixtrans-68.4-42.6175.800000111.3T373 F374 K379 L380 A424T373-A376 WeakPolarHBondContact O-CB 3.3Å; T373-A376 PolarHBondContact O-N 3.4Å; T373-A376 VanDerWaalsContact O-N 3.1Å; F374-A376 VanDerWaalsContact C-N 3.27Å; F374-A376 PolarHBondContact O-N 2.93Å; A376-K379 PolarHBondContact O-N 3.05Å; A376-L380 WeakPolarHBondContact O-CG 3.39Å; A376-L380 PolarHBondContact O-N 2.96Å; A376-A424 HydrophobicContact CB-CB 4.43Å
377G92.5Very high92.6Very high0 Ų052.8 Ų52.80%028%0.283CS..Hα-helixtrans-59.4-46.1172.400000112.4T373 F374 K379 L380 C381 F420T373-G377 PolarHBondContact O-N 3.11Å; F374-G377 PolarHBondContact O-N 3.38Å; G377-K379 VanDerWaalsContact C-N 3.33Å; G377-K379 PolarHBondContact O-N 3.49Å; G377-L380 PolarHBondContact O-N 3.28Å; G377-L380 VanDerWaalsContact O-N 3.16Å; G377-C381 PolarHBondContact O-N 2.92Å; G377-C381 VanDerWaalsContact O-N 3.12Å; G377-F420 WeakPolarHBondContact CA-O 3.37Å
378V93.8Very high92.6Very high26 Ų2654 Ų5416%0.15829%0.289CS..Hα-helixtrans-58.1-45.7176.4172.10000110.9F374 P375 L380 C381 F382 A396 F420F374-V378 HydrophobicContact CD2-CG2 4.27Å; F374-V378 HydrophobicContact CE2-CG2 4Å; F374-V378 HydrophobicContact CZ-CG2 4.26Å; F374-V378 WeakPolarHBondContact O-CG2 3.32Å; F374-V378 PolarHBondContact O-N 3.29Å; P375-V378 PolarHBondContact O-N 3.33Å; V378-L380 VanDerWaalsContact C-N 3.33Å; V378-L380 PolarHBondContact O-N 2.88Å; V378-C381 PolarHBondContact O-N 2.82Å; V378-F382 HydrophobicContact CG1-CD2 3.74Å; V378-F382 HydrophobicContact CG1-CE2 3.71Å; V378-F382 WeakPolarHBondContact O-CD2 3.46Å; V378-F382 PolarHBondContact O-N 3.27Å; V378-A396 HydrophobicContact CG2-CB 4.3Å; V378-F420 HydrophobicContact CB-CD1 4.45Å; V378-F420 HydrophobicContact CB-CE1 4.3Å; V378-F420 HydrophobicContact CG2-CD1 3.89Å; V378-F420 HydrophobicContact CG2-CD2 3.95Å; V378-F420 HydrophobicContact CG2-CE1 3.86Å; V378-F420 HydrophobicContact CG2-CE2 3.97Å; V378-F420 HydrophobicContact CG2-CG 3.9Å; V378-F420 HydrophobicContact CG2-CZ 3.89Å
379K94.2Very high92.5Very high163 Ų16353.8 Ų53.871%0.70929%0.287SS*.Hα-helixtrans-60.3-37.2176.2-172.6177.4-178.8178.80113.1P375 A376 G377 F382 K383P375-K379 WeakPolarHBondContact O-CB 3.41Å; P375-K379 PolarHBondContact O-N 3.42Å; A376-K379 PolarHBondContact O-N 3.05Å; G377-K379 VanDerWaalsContact C-N 3.33Å; G377-K379 PolarHBondContact O-N 3.49Å; K379-F382 PolarHBondContact O-N 2.94Å; K379-K383 PolarHBondContact O-N 2.85Å; K379-K383 VanDerWaalsContact O-N 3.09Å
380L92.5Very high92.6Very high34 Ų3453.1 Ų53.118%0.17828%0.283CS..Hα-helixtrans-67.4-40.4176.4-69.9170.7000112.3W142 A376 G377 V378 K383 N384 H427W142-L380 HydrophobicContact CH2-CB 4.32Å; A376-L380 WeakPolarHBondContact O-CG 3.39Å; A376-L380 PolarHBondContact O-N 2.96Å; G377-L380 PolarHBondContact O-N 3.28Å; G377-L380 VanDerWaalsContact O-N 3.16Å; V378-L380 VanDerWaalsContact C-N 3.33Å; V378-L380 PolarHBondContact O-N 2.88Å; L380-K383 WeakPolarHBondContact O-CB 3.34Å; L380-K383 PolarHBondContact O-N 3.39Å; L380-N384 PolarHBondContact O-N 3.07Å; L380-H427 HydrophobicContact CD1-CB 3.87Å; L380-H427 VanDerWaalsContact CD2-CD2 3.44Å; L380-H427 WeakPolarHBondContact CD2-CD2 3.2Å
381C91.1Very high92.7Very high0 Ų053.1 Ų53.10%028%0.283CS..Hα-helixtrans-68.2-34.8174.3-70.10000112.9G377 V378 K383 N384 R389 I393 F420G377-C381 PolarHBondContact O-N 2.92Å; G377-C381 VanDerWaalsContact O-N 3.12Å; V378-C381 PolarHBondContact O-N 2.82Å; C381-K383 VanDerWaalsContact C-N 3.32Å; C381-K383 PolarHBondContact O-N 3.28Å; C381-N384 CarbonylContact O-C 3.54Å; C381-N384 PolarHBondContact O-N 2.91Å; C381-R389 HydrophobicContact CB-CB 4.41Å; C381-I393 HydrophobicContact CB-CD1 4.09Å; C381-I393 HydrophobicContact CB-CG1 4.22Å; C381-F420 HydrophobicContact CB-CE1 3.86Å; C381-F420 VanDerWaalsContact SG-CE1 3.6Å
382F92.1Very high92.7Very high105 Ų10550.7 Ų50.746%0.46127%0.27SS..Hα-helixtrans-65.7-29.4171.7-91.1-70.5000113.6V378 K379 N384 L385 I393V378-F382 HydrophobicContact CG1-CD2 3.74Å; V378-F382 HydrophobicContact CG1-CE2 3.71Å; V378-F382 WeakPolarHBondContact O-CD2 3.46Å; V378-F382 PolarHBondContact O-N 3.27Å; K379-F382 PolarHBondContact O-N 2.94Å; F382-N384 VanDerWaalsContact C-N 3.34Å; F382-L385 HydrophobicContact CD1-CD2 4.29Å; F382-L385 WeakPolarHBondContact O-CG 3.26Å; F382-I393 HydrophobicContact CD1-CD1 4.08Å; F382-I393 HydrophobicContact CD2-CD1 4Å; F382-I393 HydrophobicContact CD2-CG1 4.42Å; F382-I393 HydrophobicContact CE1-CD1 4.21Å; F382-I393 HydrophobicContact CE1-CG2 4.21Å; F382-I393 HydrophobicContact CE2-CD1 4.13Å; F382-I393 HydrophobicContact CE2-CG1 4.29Å; F382-I393 HydrophobicContact CE2-CG2 3.65Å; F382-I393 HydrophobicContact CG-CD1 3.98Å; F382-I393 HydrophobicContact CZ-CD1 4.24Å; F382-I393 HydrophobicContact CZ-CG2 3.45Å; F382-I393 VanDerWaalsContact CZ-CG2 3.45Å
383K91Very high92.9Very high164 Ų16447.5 Ų47.571%0.71324%0.242SC*.Hα-helixtrans-66.6-36.2175.2-170.6-177.9175.7-175.60112.1K379 L380 C381K379-K383 PolarHBondContact O-N 2.85Å; K379-K383 VanDerWaalsContact O-N 3.09Å; L380-K383 WeakPolarHBondContact O-CB 3.34Å; L380-K383 PolarHBondContact O-N 3.39Å; C381-K383 VanDerWaalsContact C-N 3.32Å; C381-K383 PolarHBondContact O-N 3.28Å
384N88.6Confident93Very high74 Ų7447 Ų4740%0.39624%0.239SC..SBendtrans-122.367.5-171.6-63.3-13.9000111.5L380 C381 F382 N386 R389L380-N384 PolarHBondContact O-N 3.07Å; C381-N384 CarbonylContact O-C 3.54Å; C381-N384 PolarHBondContact O-N 2.91Å; F382-N384 VanDerWaalsContact C-N 3.34Å; N384-N386 PolarHBondContact O-N 3.12Å; N384-N386 VanDerWaalsContact O-N 3.12Å; N384-R389 VanDerWaalsContact CB-NH1 3.35Å; N384-R389 WeakPolarHBondContact O-CD 3.41Å; N384-R389 PolarHBondContact O-NH1 2.91Å
385L90.3Very high93.1Very high60 Ų6046 Ų4631%0.31423%0.234SC..  trans-7199.4-171.8-74.1170.9000115R234 F382 I393R234-L385 PolarHBondContact NH1-O 3.12Å; R234-L385 VanDerWaalsContact NH1-O 3.07Å; R234-L385 PolarHBondContact NH2-O 2.98Å; F382-L385 HydrophobicContact CD1-CD2 4.29Å; F382-L385 WeakPolarHBondContact O-CG 3.26Å; L385-I393 HydrophobicContact CD2-CD1 3.85Å
386N91.3Very high93.1Very high69 Ų6942.4 Ų42.437%0.36921%0.211SC..  trans-99.7157.8164.4-696.8000110.7N384 E388 R389 V390N384-N386 PolarHBondContact O-N 3.12Å; N384-N386 VanDerWaalsContact O-N 3.12Å; N386-E388 PolarHBondContact O-N 3.16Å; N386-R389 HydrophobicContact CB-CG 4.42Å; N386-R389 WeakPolarHBondContact O-CA 3.49Å; N386-R389 WeakPolarHBondContact O-CB 3.38Å; N386-R389 PolarHBondContact O-N 3.32Å; N386-V390 PolarHBondContact O-N 3.33Å
387D91.9Very high93.2Very high52 Ų5244.3 Ų44.328%0.27821%0.213SC..Hα-helixtrans-57.2-35.5-178.8-51.9-7.3000112.3H225 L229 R234H225-D387 PolarHBondContact NE2-O 2.94Å; L229-D387 HydrophobicContact CD1-CB 4.2Å; L229-D387 HydrophobicContact CD2-CB 4.02Å; R234-D387 WeakPolarHBondContact CD-OD1 3.17Å; R234-D387 IonicContact CZ-OD1 3.88Å; R234-D387 IonicContact NE-OD1 2.67Å; R234-D387 IonicContact NH1-OD1 3.72Å; R234-D387 PolarHBondContact NH1-OD1 3.35Å
388E92.7Very high93.3Very high27 Ų2748 Ų4813%0.12623%0.229CC..Hα-helixtrans-62.4-41.5173-54.9161.4-120.600112E140 I187 K191 N386 V390 F391 V392E140-E388 VanDerWaalsContact O-OE2 3.04Å; I187-E388 HydrophobicContact CG2-CB 4.37Å; I187-E388 HydrophobicContact CG2-CG 4.14Å; K191-E388 HydrophobicContact CD-CG 4Å; K191-E388 WeakPolarHBondContact CD-OE2 3.45Å; K191-E388 VanDerWaalsContact CE-OE1 3.28Å; K191-E388 WeakPolarHBondContact CE-OE1 3.26Å; K191-E388 WeakPolarHBondContact CE-OE2 3.5Å; K191-E388 VanDerWaalsContact CG-CD 3.41Å; K191-E388 HydrophobicContact CG-CG 3.66Å; K191-E388 IonicContact NZ-OE1 2.65Å; K191-E388 IonicContact NZ-OE2 3.55Å; K191-E388 PolarHBondContact NZ-OE2 2.95Å; N386-E388 PolarHBondContact O-N 3.16Å; E388-V390 VanDerWaalsContact C-N 3.32Å; E388-V390 PolarHBondContact O-N 3.38Å; E388-F391 WeakPolarHBondContact O-CB 3.47Å; E388-F391 PolarHBondContact O-N 3.32Å; E388-V392 WeakPolarHBondContact O-CG2 3.38Å; E388-V392 PolarHBondContact O-N 3.47Å
389R93.6Very high93.4Very high29 Ų2946.7 Ų46.711%0.10922%0.222CC..Hα-helixtrans-75.1-24.7-176-69.3168.4-174.1162.71.2111.8I141 C381 N384 N386 F391 V392 I393I141-R389 HydrophobicContact CG2-CG 4.03Å; I141-R389 PolarHBondContact O-NE 2.98Å; I141-R389 PolarHBondContact O-NH2 2.96Å; C381-R389 HydrophobicContact CB-CB 4.41Å; N384-R389 VanDerWaalsContact CB-NH1 3.35Å; N384-R389 WeakPolarHBondContact O-CD 3.41Å; N384-R389 PolarHBondContact O-NH1 2.91Å; N386-R389 HydrophobicContact CB-CG 4.42Å; N386-R389 WeakPolarHBondContact O-CA 3.49Å; N386-R389 WeakPolarHBondContact O-CB 3.38Å; N386-R389 PolarHBondContact O-N 3.32Å; R389-F391 VanDerWaalsContact C-N 3.35Å; R389-V392 PolarHBondContact O-N 3.15Å; R389-I393 WeakPolarHBondContact O-CB 3.4Å; R389-I393 WeakPolarHBondContact O-CD1 3.15Å; R389-I393 VanDerWaalsContact O-CG1 3.24Å; R389-I393 WeakPolarHBondContact O-CG1 3.5Å; R389-I393 PolarHBondContact O-N 3.47Å
390V94.5Very high93.4Very high8 Ų840.8 Ų40.85%0.04820%0.201CC..Hα-helixtrans-60.2-44.1169-179.20000110.7V228 L229 M232 N386 E388 V392 I393 L394V228-V390 HydrophobicContact CB-CG1 4.35Å; V228-V390 HydrophobicContact CG1-CG1 3.67Å; L229-V390 HydrophobicContact CD2-CB 4.17Å; L229-V390 HydrophobicContact CD2-CG1 4.29Å; L229-V390 HydrophobicContact CD2-CG2 4.05Å; M232-V390 HydrophobicContact CE-CG2 4.05Å; M232-V390 HydrophobicContact SD-CG1 4.13Å; M232-V390 HydrophobicContact SD-CG2 3.82Å; N386-V390 PolarHBondContact O-N 3.33Å; E388-V390 VanDerWaalsContact C-N 3.32Å; E388-V390 PolarHBondContact O-N 3.38Å; V390-V392 PolarHBondContact O-N 2.87Å; V390-I393 PolarHBondContact O-N 3.49Å; V390-L394 HydrophobicContact CG1-CD1 3.96Å; V390-L394 WeakPolarHBondContact O-CD1 3.38Å; V390-L394 VanDerWaalsContact O-CG 3.27Å; V390-L394 WeakPolarHBondContact O-CG 3.35Å; V390-L394 PolarHBondContact O-N 2.79Å
391F95.4Very high93.5Very high0 Ų044.7 Ų44.70%021%0.214CC..Hα-helixtrans-58.6-48.3174.9178.5-95.1000111.7F137 Y183 W186 I187 L221 I222 H225 E388 R389 I393 L394 Y395F137-F391 HydrophobicContact CE2-CE1 4.22Å; F137-F391 HydrophobicContact CZ-CE1 4.33Å; Y183-F391 HydrophobicContact CD1-CE1 4.24Å; Y183-F391 AromaticContact CD1-CZ 3.59Å; Y183-F391 HydrophobicContact CD1-CZ 3.59Å; Y183-F391 HydrophobicContact CD2-CE1 4.13Å; Y183-F391 HydrophobicContact CD2-CZ 4.12Å; Y183-F391 AromaticContact CE1-CZ 3.81Å; Y183-F391 HydrophobicContact CE1-CZ 3.81Å; Y183-F391 HydrophobicContact CE2-CZ 4.32Å; Y183-F391 AromaticContact CG-CE1 3.92Å; Y183-F391 HydrophobicContact CG-CE1 3.92Å; Y183-F391 AromaticContact CG-CZ 3.75Å; Y183-F391 HydrophobicContact CG-CZ 3.75Å; W186-F391 AromaticContact CD1-CD2 3.69Å; W186-F391 AromaticContact CD1-CE2 3.62Å; W186-F391 AromaticContact NE1-CD2 3.7Å; W186-F391 AromaticContact NE1-CE2 3.94Å; I187-F391 HydrophobicContact CD1-CD1 4.12Å; I187-F391 HydrophobicContact CG1-CD1 4.24Å; L221-F391 HydrophobicContact CD2-CE2 3.9Å; L221-F391 HydrophobicContact CD2-CZ 3.75Å; L221-F391 HydrophobicContact CG-CE2 3.93Å; L221-F391 HydrophobicContact CG-CZ 4.31Å; I222-F391 HydrophobicContact CG1-CE2 4.11Å; H225-F391 HydrophobicContact CB-CB 4.46Å; H225-F391 HydrophobicContact CB-CD2 3.78Å; H225-F391 PolarHBondContact CD2-N 2.99Å; H225-F391 AromaticContact CG-CD2 3.76Å; H225-F391 AromaticContact ND1-CD2 3.81Å; E388-F391 WeakPolarHBondContact O-CB 3.47Å; E388-F391 PolarHBondContact O-N 3.32Å; R389-F391 VanDerWaalsContact C-N 3.35Å; F391-I393 PolarHBondContact O-N 2.96Å; F391-L394 PolarHBondContact O-N 2.83Å; F391-Y395 PolarHBondContact O-N 3.16Å
392V94.8Very high93.7Very high0 Ų047 Ų470%022%0.224CC..Hα-helixtrans-66.9-38.4-175.7-174.50000111.2F137 I141 I187 E388 R389 V390 Y395 A396 I416 F420F137-V392 HydrophobicContact CZ-CG2 4.14Å; I141-V392 HydrophobicContact CD1-CG1 4.23Å; I141-V392 HydrophobicContact CD1-CG2 3.41Å; I141-V392 VanDerWaalsContact CD1-CG2 3.41Å; I141-V392 HydrophobicContact CG1-CG2 3.81Å; I141-V392 HydrophobicContact CG2-CG2 4.29Å; I187-V392 HydrophobicContact CD1-CG2 3.97Å; E388-V392 WeakPolarHBondContact O-CG2 3.38Å; E388-V392 PolarHBondContact O-N 3.47Å; R389-V392 PolarHBondContact O-N 3.15Å; V390-V392 PolarHBondContact O-N 2.87Å; V392-Y395 PolarHBondContact O-N 3.35Å; V392-A396 PolarHBondContact O-N 3.26Å; V392-A396 VanDerWaalsContact O-N 3.08Å; V392-I416 HydrophobicContact CG1-CD1 3.58Å; V392-F420 HydrophobicContact CB-CZ 4.35Å; V392-F420 HydrophobicContact CG1-CE1 4.21Å; V392-F420 HydrophobicContact CG1-CE2 3.7Å; V392-F420 HydrophobicContact CG1-CZ 3.57Å; V392-F420 WeakPolarHBondContact O-CE2 3.45Å
393I95.5Very high93.7Very high9 Ų942 Ų425%0.04620%0.202CC..Hα-helixtrans-65.1-44.9173.5-73.2165.5000111.4C381 F382 L385 R389 V390 F391 Y395 A396 I397 F420C381-I393 HydrophobicContact CB-CD1 4.09Å; C381-I393 HydrophobicContact CB-CG1 4.22Å; F382-I393 HydrophobicContact CD1-CD1 4.08Å; F382-I393 HydrophobicContact CD2-CD1 4Å; F382-I393 HydrophobicContact CD2-CG1 4.42Å; F382-I393 HydrophobicContact CE1-CD1 4.21Å; F382-I393 HydrophobicContact CE1-CG2 4.21Å; F382-I393 HydrophobicContact CE2-CD1 4.13Å; F382-I393 HydrophobicContact CE2-CG1 4.29Å; F382-I393 HydrophobicContact CE2-CG2 3.65Å; F382-I393 HydrophobicContact CG-CD1 3.98Å; F382-I393 HydrophobicContact CZ-CD1 4.24Å; F382-I393 HydrophobicContact CZ-CG2 3.45Å; F382-I393 VanDerWaalsContact CZ-CG2 3.45Å; L385-I393 HydrophobicContact CD2-CD1 3.85Å; R389-I393 WeakPolarHBondContact O-CB 3.4Å; R389-I393 WeakPolarHBondContact O-CD1 3.15Å; R389-I393 VanDerWaalsContact O-CG1 3.24Å; R389-I393 WeakPolarHBondContact O-CG1 3.5Å; R389-I393 PolarHBondContact O-N 3.47Å; V390-I393 PolarHBondContact O-N 3.49Å; F391-I393 PolarHBondContact O-N 2.96Å; I393-Y395 VanDerWaalsContact C-N 3.35Å; I393-Y395 PolarHBondContact O-N 2.74Å; I393-A396 PolarHBondContact O-N 3.37Å; I393-I397 HydrophobicContact CG2-CD1 3.88Å; I393-I397 WeakPolarHBondContact O-CG1 3.34Å; I393-I397 PolarHBondContact O-N 2.95Å; I393-F420 HydrophobicContact CG1-CZ 4.23Å
394L95.6Very high93.9Very high18 Ų1835.5 Ų35.59%0.09418%0.182CC..Hα-helixtrans-63.4-41.5177.1-70.1166000111.5L221 L224 H225 V228 V390 F391 A396 I397 F398L221-L394 HydrophobicContact CD1-CB 4.15Å; L224-L394 HydrophobicContact CG-CD1 4.49Å; H225-L394 HydrophobicContact CB-CD1 4.2Å; V228-L394 HydrophobicContact CB-CD1 3.99Å; V228-L394 HydrophobicContact CG1-CD1 4.29Å; V228-L394 HydrophobicContact CG2-CD1 3.95Å; V228-L394 HydrophobicContact CG2-CD2 4.15Å; V390-L394 HydrophobicContact CG1-CD1 3.96Å; V390-L394 WeakPolarHBondContact O-CD1 3.38Å; V390-L394 VanDerWaalsContact O-CG 3.27Å; V390-L394 WeakPolarHBondContact O-CG 3.35Å; V390-L394 PolarHBondContact O-N 2.79Å; F391-L394 PolarHBondContact O-N 2.83Å; L394-A396 PolarHBondContact O-N 2.95Å; L394-I397 PolarHBondContact O-N 2.92Å; L394-F398 HydrophobicContact CD2-CE2 4.43Å; L394-F398 WeakPolarHBondContact O-CD2 3.49Å; L394-F398 PolarHBondContact O-N 3.02Å
395Y96.2Very high94Very high0 Ų033.3 Ų33.30%017%0.171CC..Hα-helixtrans-56.7-48.9173.5-174.5-169.4000110.7M180 Y183 F217 L221 F391 V392 I393 I397 A399 T412 I416M180-Y395 HydrophobicContact SD-CE1 4.46Å; Y183-Y395 AromaticContact CD2-CD1 3.99Å; Y183-Y395 HydrophobicContact CD2-CD1 3.99Å; Y183-Y395 AromaticContact CD2-CE1 3.72Å; Y183-Y395 HydrophobicContact CD2-CE1 3.72Å; Y183-Y395 AromaticContact CE2-CD1 3.8Å; Y183-Y395 HydrophobicContact CE2-CD1 3.8Å; Y183-Y395 HydrophobicContact CE2-CD2 4.47Å; Y183-Y395 AromaticContact CE2-CE1 3.54Å; Y183-Y395 HydrophobicContact CE2-CE1 3.54Å; Y183-Y395 HydrophobicContact CE2-CE2 4.29Å; Y183-Y395 HydrophobicContact CE2-CG 4.3Å; Y183-Y395 AromaticContact CE2-CZ 3.86Å; F217-Y395 AromaticContact CE1-CD2 3.88Å; F217-Y395 HydrophobicContact CE1-CD2 3.88Å; F217-Y395 AromaticContact CE1-CE2 3.74Å; F217-Y395 HydrophobicContact CE1-CE2 3.74Å; F217-Y395 AromaticContact CZ-CD2 3.87Å; F217-Y395 HydrophobicContact CZ-CD2 3.87Å; F217-Y395 HydrophobicContact CZ-CE2 4.04Å; L221-Y395 HydrophobicContact CD2-CD2 4.21Å; L221-Y395 HydrophobicContact CD2-CG 4.04Å; F391-Y395 PolarHBondContact O-N 3.16Å; V392-Y395 PolarHBondContact O-N 3.35Å; I393-Y395 VanDerWaalsContact C-N 3.35Å; I393-Y395 PolarHBondContact O-N 2.74Å; Y395-I397 PolarHBondContact O-N 2.9Å; Y395-A399 HydrophobicContact CD2-CB 3.93Å; Y395-A399 HydrophobicContact CE2-CB 3.84Å; Y395-A399 WeakPolarHBondContact O-CB 3.39Å; Y395-A399 PolarHBondContact O-N 2.91Å; Y395-T412 WeakPolarHBondContact CE2-O 3.33Å; Y395-T412 PolarHBondContact OH-O 3.32Å; Y395-I416 HydrophobicContact CD1-CB 3.84Å; Y395-I416 HydrophobicContact CD1-CD1 3.69Å; Y395-I416 HydrophobicContact CD1-CG1 3.8Å; Y395-I416 HydrophobicContact CD2-CB 4.31Å; Y395-I416 HydrophobicContact CD2-CG1 4.46Å; Y395-I416 HydrophobicContact CD2-CG2 4.21Å; Y395-I416 HydrophobicContact CE1-CB 3.65Å; Y395-I416 HydrophobicContact CE1-CD1 4.17Å; Y395-I416 HydrophobicContact CE1-CG1 4.15Å; Y395-I416 HydrophobicContact CE1-CG2 4.38Å; Y395-I416 HydrophobicContact CE2-CB 4.1Å; Y395-I416 HydrophobicContact CE2-CG2 3.93Å; Y395-I416 HydrophobicContact CG-CB 4.14Å; Y395-I416 HydrophobicContact CG-CD1 4.2Å; Y395-I416 HydrophobicContact CG-CG1 3.93Å; Y395-I416 HydrophobicContact CG-CG2 4.49Å
396A95.4Very high94.1Very high3 Ų330.9 Ų30.93%0.02516%0.158CC..Hα-helixtrans-57-47176.900000113.3F374 V378 V392 I393 L394 S400 I416 F420F374-A396 HydrophobicContact CE2-CB 3.84Å; F374-A396 HydrophobicContact CZ-CB 3.76Å; V378-A396 HydrophobicContact CG2-CB 4.3Å; V392-A396 PolarHBondContact O-N 3.26Å; V392-A396 VanDerWaalsContact O-N 3.08Å; I393-A396 PolarHBondContact O-N 3.37Å; L394-A396 PolarHBondContact O-N 2.95Å; A396-S400 VanDerWaalsContact O-CB 3.26Å; A396-S400 WeakPolarHBondContact O-CB 3.32Å; A396-S400 PolarHBondContact O-N 3.38Å; A396-S400 PolarHBondContact O-OG 3.31Å; A396-I416 HydrophobicContact CB-CG1 4.05Å; A396-F420 HydrophobicContact CB-CD2 4.05Å; A396-F420 HydrophobicContact CB-CE2 3.41Å; A396-F420 VanDerWaalsContact CB-CE2 3.41Å; A396-F420 HydrophobicContact CB-CZ 4.2Å
397I95.3Very high94.1Very high89 Ų8930.4 Ų30.446%0.45616%0.158SC..Hα-helixtrans-62.9-52.8-177.1-67.4165.1000110.6I393 L394 Y395 S400 Y401I393-I397 HydrophobicContact CG2-CD1 3.88Å; I393-I397 WeakPolarHBondContact O-CG1 3.34Å; I393-I397 PolarHBondContact O-N 2.95Å; L394-I397 PolarHBondContact O-N 2.92Å; Y395-I397 PolarHBondContact O-N 2.9Å; I397-S400 PolarHBondContact O-N 3.45Å; I397-Y401 PolarHBondContact O-N 3.12Å; I397-Y401 VanDerWaalsContact O-N 3.11Å
398F94.6Very high94Very high77 Ų7729.4 Ų29.434%0.33815%0.15SC..Hα-helixtrans-72.8-37.5-175.4-78.3-92.5000112.6L224 L394 S400 Y401 F402L224-F398 HydrophobicContact CD2-CD2 3.87Å; L224-F398 HydrophobicContact CD2-CE1 4.37Å; L224-F398 HydrophobicContact CD2-CE2 3.49Å; L224-F398 VanDerWaalsContact CD2-CE2 3.49Å; L224-F398 HydrophobicContact CD2-CG 4.48Å; L224-F398 HydrophobicContact CD2-CZ 3.76Å; L394-F398 HydrophobicContact CD2-CE2 4.43Å; L394-F398 WeakPolarHBondContact O-CD2 3.49Å; L394-F398 PolarHBondContact O-N 3.02Å; F398-S400 VanDerWaalsContact C-N 3.32Å; F398-S400 PolarHBondContact O-N 3.48Å; F398-Y401 PolarHBondContact O-N 2.66Å; F398-F402 HydrophobicContact CB-CD2 4.43Å; F398-F402 HydrophobicContact CB-CE2 4.26Å; F398-F402 HydrophobicContact CD1-CE2 4.22Å; F398-F402 WeakPolarHBondContact O-CD2 3.45Å; F398-F402 PolarHBondContact O-N 3.17Å
399A94.8Very high94Very high0 Ų029.4 Ų29.40%015%0.151CC..Hα-helixtrans-64.6-36.6173.800000112.2F217 Y395 A403 L413 I416F217-A399 HydrophobicContact CZ-CB 4.47Å; Y395-A399 HydrophobicContact CD2-CB 3.93Å; Y395-A399 HydrophobicContact CE2-CB 3.84Å; Y395-A399 WeakPolarHBondContact O-CB 3.39Å; Y395-A399 PolarHBondContact O-N 2.91Å; A399-A403 VanDerWaalsContact O-CB 3.24Å; A399-A403 WeakPolarHBondContact O-CB 3.25Å; A399-A403 PolarHBondContact O-N 3.41Å; A399-L413 HydrophobicContact CB-CB 4.3Å; A399-L413 HydrophobicContact CB-CD1 3.99Å; A399-I416 HydrophobicContact CB-CG2 4.1Å
400S94.8Very high93.9Very high38 Ų3828.3 Ų28.327%0.26615%0.147SC..Hα-helixtrans-66.4-41176.4-57.90000111.8A396 I397 F398 G404A396-S400 VanDerWaalsContact O-CB 3.26Å; A396-S400 WeakPolarHBondContact O-CB 3.32Å; A396-S400 PolarHBondContact O-N 3.38Å; A396-S400 PolarHBondContact O-OG 3.31Å; I397-S400 PolarHBondContact O-N 3.45Å; F398-S400 VanDerWaalsContact C-N 3.32Å; F398-S400 PolarHBondContact O-N 3.48Å; S400-G404 PolarHBondContact O-N 3.49Å; S400-G404 VanDerWaalsContact O-N 3.07Å
401Y95.1Very high93.9Very high116 Ų11628.1 Ų28.146%0.45515%0.146SC..Hα-helixtrans-61.5-53174.3176.4-96.1000111.6L336 I397 F398 A403 G404 V405L336-Y401 PolarHBondContact O-OH 2.88Å; I397-Y401 PolarHBondContact O-N 3.12Å; I397-Y401 VanDerWaalsContact O-N 3.11Å; F398-Y401 PolarHBondContact O-N 2.66Å; Y401-A403 PolarHBondContact O-N 3.07Å; Y401-G404 PolarHBondContact O-N 3.39Å; Y401-G404 VanDerWaalsContact O-N 3.12Å; Y401-V405 HydrophobicContact CE1-CG2 4.17Å; Y401-V405 HydrophobicContact CE2-CG2 4.44Å; Y401-V405 PolarHBondContact O-N 3.4Å; Y401-V405 VanDerWaalsContact O-N 3.12Å
402F94.1Very high93.7Very high49 Ų4928.4 Ų28.422%0.21515%0.147CC..Hα-helixtrans-66-37.6-177-72-52.5000113.4F217 L336 F398 G404 V405 M406 L409F217-F402 HydrophobicContact CD2-CD2 4.31Å; F217-F402 HydrophobicContact CD2-CE2 4.25Å; F217-F402 AromaticContact CE2-CD2 3.9Å; F217-F402 HydrophobicContact CE2-CD2 3.9Å; F217-F402 HydrophobicContact CE2-CE2 4.02Å; L336-F402 HydrophobicContact CB-CD1 4.2Å; L336-F402 HydrophobicContact CB-CE1 4.08Å; L336-F402 HydrophobicContact CD1-CD1 4.17Å; L336-F402 HydrophobicContact CD1-CE1 4.28Å; F398-F402 HydrophobicContact CB-CD2 4.43Å; F398-F402 HydrophobicContact CB-CE2 4.26Å; F398-F402 HydrophobicContact CD1-CE2 4.22Å; F398-F402 WeakPolarHBondContact O-CD2 3.45Å; F398-F402 PolarHBondContact O-N 3.17Å; F402-G404 VanDerWaalsContact C-N 3.33Å; F402-V405 PolarHBondContact O-N 3.34Å; F402-M406 PolarHBondContact O-N 3.35Å; F402-L409 HydrophobicContact CB-CB 4.44Å; F402-L409 HydrophobicContact CB-CD1 3.85Å
403A93.4Very high93.8Very high0 Ų028.5 Ų28.50%015%0.148CC..Hα-helixtrans-64.2-37.517200000112T358 F363 A399 Y401 V405 M406 M410 L413T358-A403 WeakPolarHBondContact CG2-O 3.35Å; T358-A403 PolarHBondContact OG1-O 3.25Å; F363-A403 HydrophobicContact CE1-CB 4.27Å; F363-A403 HydrophobicContact CZ-CB 4.41Å; A399-A403 VanDerWaalsContact O-CB 3.24Å; A399-A403 WeakPolarHBondContact O-CB 3.25Å; A399-A403 PolarHBondContact O-N 3.41Å; Y401-A403 PolarHBondContact O-N 3.07Å; A403-V405 VanDerWaalsContact C-N 3.32Å; A403-V405 PolarHBondContact O-N 2.87Å; A403-M406 PolarHBondContact O-N 3.06Å; A403-M410 HydrophobicContact CB-SD 4.45Å; A403-L413 HydrophobicContact CB-CB 3.94Å; A403-L413 HydrophobicContact CB-CD2 3.73Å; A403-L413 HydrophobicContact CB-CG 4.45Å
404G93.3Very high93.7Very high28 Ų2828 Ų2829%0.28915%0.146SC..Hα-helixtrans-59.2-40.3173.800000113.5T358 S400 Y401 F402T358-G404 PolarHBondContact N-O 3.1Å; T358-G404 WeakPolarHBondContact OG1-CA 3.49Å; T358-G404 PolarHBondContact OG1-O 3.13Å; S400-G404 PolarHBondContact O-N 3.49Å; S400-G404 VanDerWaalsContact O-N 3.07Å; Y401-G404 PolarHBondContact O-N 3.39Å; Y401-G404 VanDerWaalsContact O-N 3.12Å; F402-G404 VanDerWaalsContact C-N 3.33Å
405V92.6Very high93.7Very high27 Ų2727.2 Ų27.216%0.16414%0.141CC..Hα-helixtrans-76.4-31.3-179.8176.10000112.8L336 T339 P357 Y401 F402 A403L336-V405 HydrophobicContact CD2-CG1 4.06Å; T339-V405 HydrophobicContact CG2-CG1 3.79Å; P357-V405 WeakPolarHBondContact CA-O 3.35Å; Y401-V405 HydrophobicContact CE1-CG2 4.17Å; Y401-V405 HydrophobicContact CE2-CG2 4.44Å; Y401-V405 PolarHBondContact O-N 3.4Å; Y401-V405 VanDerWaalsContact O-N 3.12Å; F402-V405 PolarHBondContact O-N 3.34Å; A403-V405 VanDerWaalsContact C-N 3.32Å; A403-V405 PolarHBondContact O-N 2.87Å
406M91.8Very high93.7Very high9 Ų927.2 Ų27.24%0.04414%0.141CC..  trans-147123.7-170.3-179.2173.1-69.900113.7L336 E354 H355 F402 A403 R408 L409L336-M406 HydrophobicContact CD2-CB 4.08Å; L336-M406 HydrophobicContact CD2-CE 3.67Å; L336-M406 HydrophobicContact CD2-SD 4.14Å; E354-M406 VanDerWaalsContact O-CG 3.3Å; E354-M406 WeakPolarHBondContact O-CG 3.5Å; H355-M406 HydrophobicContact CB-CE 4Å; H355-M406 WeakPolarHBondContact ND1-CE 3.44Å; H355-M406 PolarHBondContact ND1-SD 3.45Å; H355-M406 VanDerWaalsContact ND1-SD 3.36Å; F402-M406 PolarHBondContact O-N 3.35Å; A403-M406 PolarHBondContact O-N 3.06Å; M406-R408 VanDerWaalsContact C-N 3.35Å; M406-R408 HydrophobicContact CG-CB 4.24Å; M406-R408 PolarHBondContact O-N 3.33Å; M406-R408 HydrophobicContact SD-CB 4.38Å; M406-L409 HydrophobicContact CB-CD1 4.05Å; M406-L409 HydrophobicContact CB-CG 4.12Å; M406-L409 HydrophobicContact CG-CD1 4.42Å; M406-L409 HydrophobicContact CG-CG 4.16Å; M406-L409 PolarHBondContact O-N 3.2Å; M406-L409 HydrophobicContact SD-CD1 4.14Å; M406-L409 HydrophobicContact SD-CG 4.08Å
407V91.4Very high93.7Very high59 Ų5927 Ų2736%0.35814%0.14SC..G310 helixtrans-53.5-43178.5171.20000113.2E354 Q356 T358 L409 M410E354-V407 PolarHBondContact O-N 2.88Å; Q356-V407 WeakPolarHBondContact O-CG2 3.42Å; Q356-V407 PolarHBondContact O-N 3.37Å; T358-V407 HydrophobicContact CG2-CB 4.27Å; T358-V407 HydrophobicContact CG2-CG2 3.74Å; V407-L409 PolarHBondContact O-N 3.33Å; V407-M410 WeakPolarHBondContact O-CB 3.35Å; V407-M410 PolarHBondContact O-N 2.95Å
408R89.6Confident93.8Very high31 Ų3122.8 Ų22.812%0.11712%0.118CC..G310 helixtrans-56.5-26.8178-157.8-179.7-178127.9-3.5113D52 D170 E172 E354 M406D52-R408 IonicContact OD2-NH1 3.76Å; D170-R408 IonicContact OD2-NH2 2.59Å; D170-R408 PolarHBondContact OD2-NH2 3.14Å; E172-R408 IonicContact OE1-CZ 2.82Å; E172-R408 IonicContact OE1-NE 3.69Å; E172-R408 PolarHBondContact OE1-NE 2.67Å; E172-R408 IonicContact OE1-NH2 2.75Å; E172-R408 PolarHBondContact OE1-NH2 3.08Å; E172-R408 IonicContact OE2-NH2 3.08Å; E354-R408 HydrophobicContact CB-CB 4.09Å; E354-R408 PolarHBondContact O-N 3.41Å; E354-R408 VanDerWaalsContact O-N 3.13Å; E354-R408 IonicContact OE1-NH1 3.02Å; E354-R408 WeakPolarHBondContact OE2-CD 3.16Å; E354-R408 IonicContact OE2-CZ 3.99Å; E354-R408 IonicContact OE2-NE 2.83Å; E354-R408 IonicContact OE2-NH1 3.52Å; E354-R408 PolarHBondContact OE2-NH1 2.77Å; M406-R408 VanDerWaalsContact C-N 3.35Å; M406-R408 HydrophobicContact CG-CB 4.24Å; M406-R408 PolarHBondContact O-N 3.33Å; M406-R408 HydrophobicContact SD-CB 4.38Å
409L91.8Very high93.9Very high27 Ų2719.1 Ų19.114%0.14110%0.102CC..G310 helixtrans-88.8-3.3-174-57.7-179.2000114.1L336 F402 M406 V407 L411 T412 L413L336-L409 HydrophobicContact CD1-CD1 4.05Å; L336-L409 HydrophobicContact CD2-CD1 3.85Å; F402-L409 HydrophobicContact CB-CB 4.44Å; F402-L409 HydrophobicContact CB-CD1 3.85Å; M406-L409 HydrophobicContact CB-CD1 4.05Å; M406-L409 HydrophobicContact CB-CG 4.12Å; M406-L409 HydrophobicContact CG-CD1 4.42Å; M406-L409 HydrophobicContact CG-CG 4.16Å; M406-L409 PolarHBondContact O-N 3.2Å; M406-L409 HydrophobicContact SD-CD1 4.14Å; M406-L409 HydrophobicContact SD-CG 4.08Å; V407-L409 PolarHBondContact O-N 3.33Å; L409-L411 PolarHBondContact O-N 3.33Å; L409-L411 VanDerWaalsContact O-N 3.15Å; L409-T412 PolarHBondContact O-N 3.41Å; L409-T412 PolarHBondContact O-OG1 3.4Å; L409-L413 PolarHBondContact O-N 2.96Å
410M92.3Very high93.9Very high6 Ų619.1 Ų19.13%0.0310%0.102CC..Hα-helixtrans-54.5-30.9166.1-169.168.979.100112.2T358 F363 D366 L367 A403 V407 T412 L413 T414T358-M410 HydrophobicContact CG2-CE 3.83Å; F363-M410 HydrophobicContact CB-CE 4.4Å; F363-M410 HydrophobicContact CD1-CE 3.45Å; F363-M410 VanDerWaalsContact CD1-CE 3.45Å; F363-M410 HydrophobicContact CD1-SD 3.73Å; F363-M410 HydrophobicContact CD2-CE 4.12Å; F363-M410 HydrophobicContact CE1-CE 3.62Å; F363-M410 HydrophobicContact CE1-SD 3.81Å; F363-M410 HydrophobicContact CE2-CE 4.29Å; F363-M410 HydrophobicContact CG-CE 3.72Å; F363-M410 HydrophobicContact CZ-CE 4.05Å; D366-M410 HydrophobicContact CB-CG 4.24Å; D366-M410 WeakPolarHBondContact OD2-CG 3.43Å; L367-M410 HydrophobicContact CD1-SD 4.25Å; A403-M410 HydrophobicContact CB-SD 4.45Å; V407-M410 WeakPolarHBondContact O-CB 3.35Å; V407-M410 PolarHBondContact O-N 2.95Å; M410-T412 VanDerWaalsContact C-N 3.3Å; M410-T412 PolarHBondContact O-N 2.79Å; M410-L413 PolarHBondContact O-N 3.25Å; M410-L413 HydrophobicContact SD-CD2 4.03Å; M410-T414 PolarHBondContact O-N 3.06Å; M410-T414 PolarHBondContact O-OG1 3.19Å
411L93.3Very high94Very high4 Ų417.3 Ų17.32%0.0219%0.09CC..Hα-helixtrans-58.6-37.3175.8-169.276.4000112.9Y160 R163 E172 I176 L409 P415Y160-L411 HydrophobicContact CD2-CD1 3.93Å; R163-L411 HydrophobicContact CB-CD1 4.27Å; E172-L411 HydrophobicContact CB-CD2 3.7Å; E172-L411 HydrophobicContact CG-CD2 3.29Å; I176-L411 HydrophobicContact CD1-CD2 3.91Å; I176-L411 HydrophobicContact CD1-CG 3.84Å; I176-L411 HydrophobicContact CG1-CD1 4.38Å; I176-L411 HydrophobicContact CG1-CD2 3.9Å; I176-L411 HydrophobicContact CG1-CG 3.88Å; L409-L411 PolarHBondContact O-N 3.33Å; L409-L411 VanDerWaalsContact O-N 3.15Å; L411-P415 VanDerWaalsContact O-CD 3.23Å; L411-P415 WeakPolarHBondContact O-CD 3.45Å
412T93Very high94Very high6 Ų611.8 Ų11.84%0.0377%0.068CC..Hα-helixtrans-84.5-19.3-179.667.40000112.8W212 Y395 L409 M410W212-T412 HydrophobicContact CH2-CG2 3.74Å; W212-T412 HydrophobicContact CZ3-CG2 4.12Å; Y395-T412 WeakPolarHBondContact CE2-O 3.33Å; Y395-T412 PolarHBondContact OH-O 3.32Å; L409-T412 PolarHBondContact O-N 3.41Å; L409-T412 PolarHBondContact O-OG1 3.4Å; M410-T412 VanDerWaalsContact C-N 3.3Å; M410-T412 PolarHBondContact O-N 2.79Å
413L95.1Very high94.1Very high2 Ų29.5 Ų9.51%0.016%0.058CC..Hα-helixtrans-78.3-35.6171.2177.763.9000112.7F363 A399 A403 L409 M410 I416 V417F363-L413 HydrophobicContact CD1-CD2 4.19Å; F363-L413 HydrophobicContact CE1-CD2 3.65Å; A399-L413 HydrophobicContact CB-CB 4.3Å; A399-L413 HydrophobicContact CB-CD1 3.99Å; A403-L413 HydrophobicContact CB-CB 3.94Å; A403-L413 HydrophobicContact CB-CD2 3.73Å; A403-L413 HydrophobicContact CB-CG 4.45Å; L409-L413 PolarHBondContact O-N 2.96Å; M410-L413 PolarHBondContact O-N 3.25Å; M410-L413 HydrophobicContact SD-CD2 4.03Å; L413-I416 HydrophobicContact CD1-CG2 3.9Å; L413-I416 WeakPolarHBondContact O-CG2 3.47Å; L413-I416 PolarHBondContact O-N 2.96Å; L413-V417 HydrophobicContact CD1-CG2 3.68Å; L413-V417 HydrophobicContact CD2-CG2 4.36Å; L413-V417 HydrophobicContact CG-CG2 3.71Å; L413-V417 PolarHBondContact O-N 2.65Å
414T95.4Very high94.1Very high0 Ų09.9 Ų9.90%06%0.061CC..Hα-helixtrans-53.2-44.8-174.4-62.30000113.9A157 L367 M410 C418A157-T414 HydrophobicContact CB-CG2 3.64Å; L367-T414 HydrophobicContact CD2-CG2 4.13Å; M410-T414 PolarHBondContact O-N 3.06Å; M410-T414 PolarHBondContact O-OG1 3.19Å; T414-C418 PolarHBondContact O-N 2.88Å; T414-C418 PolarHBondContact O-SG 2.76Å
415P95.4Very high94.1Very high0 Ų09.2 Ų9.20%05%0.05CC..Hα-helixtrans-62.9-46.2178.6-21.632.2000113.2I154 I176 M180 L411 V417 C418 V419I154-P415 HydrophobicContact CD1-CB 3.74Å; I154-P415 HydrophobicContact CD1-CG 4.02Å; I176-P415 HydrophobicContact CG2-CG 3.76Å; M180-P415 HydrophobicContact CE-CB 4.08Å; M180-P415 HydrophobicContact CG-CB 4.1Å; M180-P415 HydrophobicContact SD-CB 3.51Å; M180-P415 VanDerWaalsContact SD-CB 3.51Å; M180-P415 HydrophobicContact SD-CG 4.34Å; L411-P415 VanDerWaalsContact O-CD 3.23Å; L411-P415 WeakPolarHBondContact O-CD 3.45Å; P415-V417 VanDerWaalsContact C-N 3.34Å; P415-V417 PolarHBondContact O-N 2.88Å; P415-C418 WeakPolarHBondContact O-CB 3.4Å; P415-C418 PolarHBondContact O-N 2.68Å; P415-V419 VanDerWaalsContact O-CG2 3.29Å; P415-V419 WeakPolarHBondContact O-CG2 3.42Å; P415-V419 PolarHBondContact O-N 3.4Å
416I95.5Very high94.1Very high0 Ų08.1 Ų8.10%04%0.044CC..Hα-helixtrans-70.2-32.5-177.3-169.355.9000112V392 Y395 A396 A399 L413 V419 F420V392-I416 HydrophobicContact CG1-CD1 3.58Å; Y395-I416 HydrophobicContact CD1-CB 3.84Å; Y395-I416 HydrophobicContact CD1-CD1 3.69Å; Y395-I416 HydrophobicContact CD1-CG1 3.8Å; Y395-I416 HydrophobicContact CD2-CB 4.31Å; Y395-I416 HydrophobicContact CD2-CG1 4.46Å; Y395-I416 HydrophobicContact CD2-CG2 4.21Å; Y395-I416 HydrophobicContact CE1-CB 3.65Å; Y395-I416 HydrophobicContact CE1-CD1 4.17Å; Y395-I416 HydrophobicContact CE1-CG1 4.15Å; Y395-I416 HydrophobicContact CE1-CG2 4.38Å; Y395-I416 HydrophobicContact CE2-CB 4.1Å; Y395-I416 HydrophobicContact CE2-CG2 3.93Å; Y395-I416 HydrophobicContact CG-CB 4.14Å; Y395-I416 HydrophobicContact CG-CD1 4.2Å; Y395-I416 HydrophobicContact CG-CG1 3.93Å; Y395-I416 HydrophobicContact CG-CG2 4.49Å; A396-I416 HydrophobicContact CB-CG1 4.05Å; A399-I416 HydrophobicContact CB-CG2 4.1Å; L413-I416 HydrophobicContact CD1-CG2 3.9Å; L413-I416 WeakPolarHBondContact O-CG2 3.47Å; L413-I416 PolarHBondContact O-N 2.96Å; I416-V419 HydrophobicContact CD1-CB 4.42Å; I416-V419 PolarHBondContact O-N 3.09Å; I416-F420 HydrophobicContact CD1-CD2 3.76Å; I416-F420 HydrophobicContact CD1-CE2 3.56Å; I416-F420 HydrophobicContact CG1-CD2 3.81Å; I416-F420 HydrophobicContact CG1-CE2 3.75Å; I416-F420 WeakPolarHBondContact O-CD2 3.5Å; I416-F420 PolarHBondContact O-N 3.06Å
417V96.3Very high94.1Very high0 Ų010 Ų100%05%0.052CC..Hα-helixtrans-62.3-44.1169.21670000111.4L367 L370 F374 L413 P415 V419 S421L367-V417 HydrophobicContact CD1-CG1 4.21Å; L367-V417 HydrophobicContact CD1-CG2 4.28Å; L367-V417 HydrophobicContact CD2-CB 4.41Å; L367-V417 HydrophobicContact CD2-CG1 4.04Å; L370-V417 HydrophobicContact CB-CG1 3.59Å; L370-V417 HydrophobicContact CD1-CG1 4.49Å; F374-V417 HydrophobicContact CB-CG1 4.36Å; F374-V417 HydrophobicContact CD1-CG2 4.46Å; F374-V417 HydrophobicContact CD2-CB 4.32Å; F374-V417 HydrophobicContact CD2-CG2 3.8Å; F374-V417 HydrophobicContact CE2-CG2 3.98Å; F374-V417 HydrophobicContact CG-CG2 4.05Å; F374-V417 HydrophobicContact CZ-CG2 4.39Å; L413-V417 HydrophobicContact CD1-CG2 3.68Å; L413-V417 HydrophobicContact CD2-CG2 4.36Å; L413-V417 HydrophobicContact CG-CG2 3.71Å; L413-V417 PolarHBondContact O-N 2.65Å; P415-V417 VanDerWaalsContact C-N 3.34Å; P415-V417 PolarHBondContact O-N 2.88Å; V417-V419 PolarHBondContact O-N 3.2Å; V417-S421 VanDerWaalsContact O-CB 3.23Å; V417-S421 WeakPolarHBondContact O-CB 3.33Å; V417-S421 PolarHBondContact O-N 3.32Å; V417-S421 PolarHBondContact O-OG 3.06Å
418C96.1Very high94Very high0 Ų09.7 Ų9.70%05%0.051CC..Hα-helixtrans-60.4-44.1175.8-66.60000111.9F153 I154 T414 P415 A422F153-C418 HydrophobicContact CB-CB 4.09Å; I154-C418 HydrophobicContact CB-CB 4.26Å; T414-C418 PolarHBondContact O-N 2.88Å; T414-C418 PolarHBondContact O-SG 2.76Å; P415-C418 WeakPolarHBondContact O-CB 3.4Å; P415-C418 PolarHBondContact O-N 2.68Å; C418-A422 VanDerWaalsContact O-CB 3.23Å; C418-A422 WeakPolarHBondContact O-CB 3.37Å; C418-A422 PolarHBondContact O-N 2.85Å
419V96.1Very high93.9Very high0 Ų09.3 Ų9.30%05%0.05CC..Hα-helixtrans-61.4-51.9179.3173.80000111.6T134 F137 T138 I141 M180 P415 I416 V417 A422 I423T134-V419 HydrophobicContact CG2-CG2 4.07Å; F137-V419 HydrophobicContact CD1-CG1 4.31Å; F137-V419 HydrophobicContact CD1-CG2 3.78Å; F137-V419 HydrophobicContact CE1-CG1 4.12Å; F137-V419 HydrophobicContact CE1-CG2 3.93Å; T138-V419 HydrophobicContact CG2-CG1 4.17Å; I141-V419 HydrophobicContact CD1-CG1 4.25Å; M180-V419 HydrophobicContact CE-CG2 4.22Å; P415-V419 VanDerWaalsContact O-CG2 3.29Å; P415-V419 WeakPolarHBondContact O-CG2 3.42Å; P415-V419 PolarHBondContact O-N 3.4Å; I416-V419 HydrophobicContact CD1-CB 4.42Å; I416-V419 PolarHBondContact O-N 3.09Å; V417-V419 PolarHBondContact O-N 3.2Å; V419-A422 PolarHBondContact O-N 3.02Å; V419-I423 HydrophobicContact CG1-CD1 4.18Å; V419-I423 WeakPolarHBondContact O-CG1 3.33Å; V419-I423 PolarHBondContact O-N 3.3Å
420F96.1Very high93.6Very high0 Ų011 Ų110%06%0.057CC..Hα-helixtrans-67.2-38.1-180-84.7-66.6000112.9F374 G377 V378 C381 V392 I393 A396 I416 A422 I423 A424F374-F420 HydrophobicContact CD2-CB 3.83Å; F374-F420 HydrophobicContact CD2-CD2 4.11Å; F374-F420 HydrophobicContact CD2-CG 4.28Å; F374-F420 HydrophobicContact CE2-CB 4.38Å; F374-F420 AromaticContact CE2-CD2 3.78Å; F374-F420 HydrophobicContact CE2-CD2 3.78Å; F374-F420 HydrophobicContact CE2-CE2 4.49Å; F374-F420 HydrophobicContact CE2-CG 4.38Å; G377-F420 WeakPolarHBondContact CA-O 3.37Å; V378-F420 HydrophobicContact CB-CD1 4.45Å; V378-F420 HydrophobicContact CB-CE1 4.3Å; V378-F420 HydrophobicContact CG2-CD1 3.89Å; V378-F420 HydrophobicContact CG2-CD2 3.95Å; V378-F420 HydrophobicContact CG2-CE1 3.86Å; V378-F420 HydrophobicContact CG2-CE2 3.97Å; V378-F420 HydrophobicContact CG2-CG 3.9Å; V378-F420 HydrophobicContact CG2-CZ 3.89Å; C381-F420 HydrophobicContact CB-CE1 3.86Å; C381-F420 VanDerWaalsContact SG-CE1 3.6Å; V392-F420 HydrophobicContact CB-CZ 4.35Å; V392-F420 HydrophobicContact CG1-CE1 4.21Å; V392-F420 HydrophobicContact CG1-CE2 3.7Å; V392-F420 HydrophobicContact CG1-CZ 3.57Å; V392-F420 WeakPolarHBondContact O-CE2 3.45Å; I393-F420 HydrophobicContact CG1-CZ 4.23Å; A396-F420 HydrophobicContact CB-CD2 4.05Å; A396-F420 HydrophobicContact CB-CE2 3.41Å; A396-F420 VanDerWaalsContact CB-CE2 3.41Å; A396-F420 HydrophobicContact CB-CZ 4.2Å; I416-F420 HydrophobicContact CD1-CD2 3.76Å; I416-F420 HydrophobicContact CD1-CE2 3.56Å; I416-F420 HydrophobicContact CG1-CD2 3.81Å; I416-F420 HydrophobicContact CG1-CE2 3.75Å; I416-F420 WeakPolarHBondContact O-CD2 3.5Å; I416-F420 PolarHBondContact O-N 3.06Å; F420-A422 VanDerWaalsContact C-N 3.31Å; F420-A422 PolarHBondContact O-N 2.81Å; F420-I423 PolarHBondContact O-N 2.85Å; F420-A424 PolarHBondContact O-N 2.91Å
421S95.7Very high93.2Very high0 Ų014.8 Ų14.80%08%0.077CC..Hα-helixtrans-62.9-40.2174.9-570000111.4L370 T373 V417 A424 F425L370-S421 WeakPolarHBondContact CB-OG 3.46Å; L370-S421 PolarHBondContact O-OG 3.25Å; T373-S421 WeakPolarHBondContact OG1-CB 3.34Å; T373-S421 PolarHBondContact OG1-OG 3.47Å; V417-S421 VanDerWaalsContact O-CB 3.23Å; V417-S421 WeakPolarHBondContact O-CB 3.33Å; V417-S421 PolarHBondContact O-N 3.32Å; V417-S421 PolarHBondContact O-OG 3.06Å; S421-A424 PolarHBondContact O-N 2.96Å; S421-F425 VanDerWaalsContact O-CD2 3.23Å; S421-F425 WeakPolarHBondContact O-CD2 3.26Å; S421-F425 PolarHBondContact O-N 3.09Å
422A95.8Very high92.5Very high0 Ų017.1 Ų17.10%09%0.087CC..Hα-helixtrans-66.7-36.9175.900000113.4A146 F149 A150 F153 C418 V419 F420 S426A146-A422 WeakPolarHBondContact O-CB 3.44Å; F149-A422 HydrophobicContact CB-CB 3.62Å; A150-A422 HydrophobicContact CB-CB 3.63Å; A150-A422 VanDerWaalsContact N-CB 3.29Å; F153-A422 HydrophobicContact CD2-CB 4.09Å; F153-A422 HydrophobicContact CE2-CB 4.04Å; C418-A422 VanDerWaalsContact O-CB 3.23Å; C418-A422 WeakPolarHBondContact O-CB 3.37Å; C418-A422 PolarHBondContact O-N 2.85Å; V419-A422 PolarHBondContact O-N 3.02Å; F420-A422 VanDerWaalsContact C-N 3.31Å; F420-A422 PolarHBondContact O-N 2.81Å; A422-S426 WeakPolarHBondContact O-CB 3.22Å; A422-S426 PolarHBondContact O-N 3.12Å
423I95.3Very high91.7Very high0 Ų020.9 Ų20.90%011%0.106CC..Hα-helixtrans-63.7-43.5170.9-68.2167.4000110.4T138 I141 W142 A146 V419 F420 H427T138-I423 HydrophobicContact CG2-CG1 4.38Å; I141-I423 HydrophobicContact CG2-CD1 4Å; W142-I423 HydrophobicContact CB-CD1 4.38Å; W142-I423 HydrophobicContact CB-CG1 4.07Å; W142-I423 HydrophobicContact CD2-CG2 3.8Å; W142-I423 HydrophobicContact CE3-CG2 3.88Å; W142-I423 HydrophobicContact CG-CG1 4.31Å; W142-I423 HydrophobicContact CG-CG2 4.19Å; W142-I423 HydrophobicContact CZ2-CG2 4.45Å; W142-I423 HydrophobicContact CZ3-CG2 4.26Å; A146-I423 HydrophobicContact CB-CG1 4.1Å; V419-I423 HydrophobicContact CG1-CD1 4.18Å; V419-I423 WeakPolarHBondContact O-CG1 3.33Å; V419-I423 PolarHBondContact O-N 3.3Å; F420-I423 PolarHBondContact O-N 2.85Å; I423-H427 WeakPolarHBondContact O-CB 3.29Å; I423-H427 PolarHBondContact O-N 3.08Å
424A94.2Very high90.6Very high8 Ų825.5 Ų25.57%0.06613%0.131CC..Hα-helixtrans-62.3-51.5177.100000112.3A376 F420 S421 H427 V428A376-A424 HydrophobicContact CB-CB 4.43Å; F420-A424 PolarHBondContact O-N 2.91Å; S421-A424 PolarHBondContact O-N 2.96Å; A424-H427 PolarHBondContact O-N 3.5Å; A424-V428 WeakPolarHBondContact O-CG2 3.47Å; A424-V428 PolarHBondContact O-N 3.5Å; A424-V428 VanDerWaalsContact O-N 3.12Å
425F93.2Very high88.9Confident14 Ų1429.5 Ų29.56%0.06115%0.15CC..Hα-helixtrans-62.5-45.3176.8-80.1-66.3000112F153 V369 T373 S421 H427 V428 F429 I507 I510 L511F153-F425 AromaticContact CE2-CD2 3.73Å; F153-F425 HydrophobicContact CE2-CD2 3.73Å; F153-F425 HydrophobicContact CE2-CE2 4.31Å; F153-F425 AromaticContact CZ-CD2 3.57Å; F153-F425 HydrophobicContact CZ-CD2 3.57Å; F153-F425 HydrophobicContact CZ-CE2 4Å; F153-F425 HydrophobicContact CZ-CG 4.31Å; V369-F425 HydrophobicContact CG1-CE2 4.38Å; V369-F425 HydrophobicContact CG1-CZ 3.91Å; T373-F425 HydrophobicContact CG2-CE2 3.93Å; T373-F425 HydrophobicContact CG2-CZ 3.87Å; S421-F425 VanDerWaalsContact O-CD2 3.23Å; S421-F425 WeakPolarHBondContact O-CD2 3.26Å; S421-F425 PolarHBondContact O-N 3.09Å; F425-H427 VanDerWaalsContact C-N 3.31Å; F425-H427 PolarHBondContact O-N 3.48Å; F425-V428 PolarHBondContact O-N 3.35Å; F425-F429 WeakPolarHBondContact O-CD2 3.27Å; F425-F429 PolarHBondContact O-N 3.38Å; F425-I507 HydrophobicContact CD1-CG2 4.03Å; F425-I507 HydrophobicContact CE1-CG2 4.05Å; F425-I510 HydrophobicContact CZ-CG2 4.49Å; F425-L511 HydrophobicContact CD1-CD2 4.48Å; F425-L511 HydrophobicContact CD2-CD2 4.46Å; F425-L511 HydrophobicContact CE1-CD2 4.13Å; F425-L511 HydrophobicContact CE1-CG 4.48Å; F425-L511 HydrophobicContact CE2-CD2 4.09Å; F425-L511 HydrophobicContact CZ-CD2 3.92Å
426S92.8Very high87.2Confident5 Ų533.6 Ų33.64%0.03517%0.169CC..Hα-helixtrans-59.8-41177.8-1750000111.9N143 A146 A422 V428 F429 E430N143-S426 PolarHBondContact ND2-OG 3.17Å; A146-S426 PolarHBondContact N-OG 3.06Å; A422-S426 WeakPolarHBondContact O-CB 3.22Å; A422-S426 PolarHBondContact O-N 3.12Å; S426-V428 VanDerWaalsContact C-N 3.35Å; S426-F429 PolarHBondContact O-N 2.92Å; S426-E430 VanDerWaalsContact O-CG 3.31Å; S426-E430 WeakPolarHBondContact O-CG 3.46Å; S426-E430 PolarHBondContact O-N 3.24Å
427H91Very high85.5Confident48 Ų4838 Ų3822%0.22219%0.193CC..Hα-helixtrans-67.6-36.7179.3-172.247.4000112.2L380 I423 A424 F425 E430 L431L380-H427 HydrophobicContact CD1-CB 3.87Å; L380-H427 VanDerWaalsContact CD2-CD2 3.44Å; L380-H427 WeakPolarHBondContact CD2-CD2 3.2Å; I423-H427 WeakPolarHBondContact O-CB 3.29Å; I423-H427 PolarHBondContact O-N 3.08Å; A424-H427 PolarHBondContact O-N 3.5Å; F425-H427 VanDerWaalsContact C-N 3.31Å; F425-H427 PolarHBondContact O-N 3.48Å; H427-E430 IonicContact ND1-OE2 3.53Å; H427-E430 PolarHBondContact O-N 3.5Å; H427-L431 VanDerWaalsContact O-CG 3.32Å; H427-L431 WeakPolarHBondContact O-CG 3.48Å; H427-L431 PolarHBondContact O-N 2.92Å
428V89.4Confident83.7Confident53 Ų5342.7 Ų42.732%0.32122%0.218SC..Hα-helixtrans-65.9-40.2173.9173.70000111.3A424 F425 S426 F432 I507A424-V428 WeakPolarHBondContact O-CG2 3.47Å; A424-V428 PolarHBondContact O-N 3.5Å; A424-V428 VanDerWaalsContact O-N 3.12Å; F425-V428 PolarHBondContact O-N 3.35Å; S426-V428 VanDerWaalsContact C-N 3.35Å; V428-F432 HydrophobicContact CG1-CD2 3.78Å; V428-F432 HydrophobicContact CG1-CE2 3.47Å; V428-F432 VanDerWaalsContact CG1-CE2 3.47Å; V428-F432 WeakPolarHBondContact O-CD2 3.48Å; V428-F432 PolarHBondContact O-N 3.16Å; V428-I507 HydrophobicContact CG1-CD1 3.49Å; V428-I507 VanDerWaalsContact CG1-CD1 3.49Å
429F87.5Confident81.9Confident22 Ų2246.8 Ų46.810%0.09624%0.236CC..Hα-helixtrans-67.2-40173.1-76.8-65.8000112.9F149 F425 S426 L431 F432 L433 Y504 I507 L511F149-F429 HydrophobicContact CE1-CD2 4.34Å; F149-F429 AromaticContact CE1-CE2 3.88Å; F149-F429 HydrophobicContact CE1-CE2 3.88Å; F149-F429 AromaticContact CE2-CD2 3.72Å; F149-F429 HydrophobicContact CE2-CD2 3.72Å; F149-F429 HydrophobicContact CE2-CE2 4.11Å; F149-F429 AromaticContact CZ-CD2 3.42Å; F149-F429 HydrophobicContact CZ-CD2 3.42Å; F149-F429 VanDerWaalsContact CZ-CD2 3.42Å; F149-F429 AromaticContact CZ-CE2 3.34Å; F149-F429 HydrophobicContact CZ-CE2 3.34Å; F149-F429 HydrophobicContact CZ-CG 4.42Å; F149-F429 HydrophobicContact CZ-CZ 4.28Å; F425-F429 WeakPolarHBondContact O-CD2 3.27Å; F425-F429 PolarHBondContact O-N 3.38Å; S426-F429 PolarHBondContact O-N 2.92Å; F429-L431 VanDerWaalsContact C-N 3.34Å; F429-L431 PolarHBondContact O-N 3.36Å; F429-F432 PolarHBondContact O-N 2.89Å; F429-L433 WeakPolarHBondContact O-CB 3.38Å; F429-L433 VanDerWaalsContact O-CG 3.25Å; F429-L433 WeakPolarHBondContact O-CG 3.36Å; F429-L433 PolarHBondContact O-N 3.44Å; F429-Y504 HydrophobicContact CD1-CD2 4.22Å; F429-Y504 HydrophobicContact CD1-CE2 4.05Å; F429-Y504 AromaticContact CE1-CD2 3.84Å; F429-Y504 HydrophobicContact CE1-CD2 3.84Å; F429-Y504 AromaticContact CE1-CE2 3.67Å; F429-Y504 HydrophobicContact CE1-CE2 3.67Å; F429-I507 HydrophobicContact CE1-CG2 4.2Å; F429-I507 HydrophobicContact CE2-CG2 3.91Å; F429-I507 HydrophobicContact CZ-CG2 3.48Å; F429-I507 VanDerWaalsContact CZ-CG2 3.48Å; F429-L511 HydrophobicContact CE2-CD1 4.26Å; F429-L511 HydrophobicContact CZ-CD1 4.22Å
430E86.4Confident80.1Confident64 Ų6451.1 Ų51.130%0.29926%0.26SS..Hα-helixtrans-57.2-45.9174.2-76.9173.2150.800111.6N143 S426 H427 L433 N434N143-E430 PolarHBondContact ND2-OE1 3.4Å; S426-E430 VanDerWaalsContact O-CG 3.31Å; S426-E430 WeakPolarHBondContact O-CG 3.46Å; S426-E430 PolarHBondContact O-N 3.24Å; H427-E430 IonicContact ND1-OE2 3.53Å; H427-E430 PolarHBondContact O-N 3.5Å; E430-L433 PolarHBondContact O-N 2.85Å; E430-N434 WeakPolarHBondContact O-CB 3.33Å; E430-N434 PolarHBondContact O-N 3.29Å; E430-N434 PolarHBondContact O-ND2 2.78Å
431L84.4Confident78.3Confident85 Ų8555.4 Ų55.445%0.44528%0.283SS..Hα-helixtrans-62-46.4178.4-71168.2000112.1H427 F429 E435H427-L431 VanDerWaalsContact O-CG 3.32Å; H427-L431 WeakPolarHBondContact O-CG 3.48Å; H427-L431 PolarHBondContact O-N 2.92Å; F429-L431 VanDerWaalsContact C-N 3.34Å; F429-L431 PolarHBondContact O-N 3.36Å; L431-E435 WeakPolarHBondContact O-CG 3.45Å
432F78.5Confident76.6Confident53 Ų5359.9 Ų59.923%0.23231%0.307CS..Hα-helixtrans-74.3-24.8-178.8-69.2-47.7000114.5V428 F429 Q436 R500 A503 I507V428-F432 HydrophobicContact CG1-CD2 3.78Å; V428-F432 HydrophobicContact CG1-CE2 3.47Å; V428-F432 VanDerWaalsContact CG1-CE2 3.47Å; V428-F432 WeakPolarHBondContact O-CD2 3.48Å; V428-F432 PolarHBondContact O-N 3.16Å; F429-F432 PolarHBondContact O-N 2.89Å; F432-Q436 WeakPolarHBondContact O-CG 3.27Å; F432-R500 HydrophobicContact CD1-CB 4.4Å; F432-R500 HydrophobicContact CD1-CG 3.95Å; F432-R500 HydrophobicContact CE1-CG 4.31Å; F432-A503 HydrophobicContact CE1-CB 4.31Å; F432-A503 HydrophobicContact CE2-CB 3.95Å; F432-A503 HydrophobicContact CZ-CB 3.68Å; F432-I507 HydrophobicContact CD2-CD1 4.28Å; F432-I507 HydrophobicContact CE2-CD1 3.84Å
433L75.9Confident74.8Confident84 Ų8463.9 Ų63.944%0.4433%0.331SS..Hα-helixtrans-82.1-46177.7-71.9168.9000112.1F429 E430 E435 Q436 D437F429-L433 WeakPolarHBondContact O-CB 3.38Å; F429-L433 VanDerWaalsContact O-CG 3.25Å; F429-L433 WeakPolarHBondContact O-CG 3.36Å; F429-L433 PolarHBondContact O-N 3.44Å; E430-L433 PolarHBondContact O-N 2.85Å; L433-E435 VanDerWaalsContact C-N 3.27Å; L433-E435 PolarHBondContact O-N 2.72Å; L433-Q436 WeakPolarHBondContact O-CB 3.24Å; L433-Q436 PolarHBondContact O-N 3.11Å; L433-D437 PolarHBondContact O-N 2.99Å; L433-D437 VanDerWaalsContact O-N 3.17Å
434N71.2Confident73Confident99 Ų9967.3 Ų67.353%0.52935%0.352SS..Hα-helixtrans-60.9-37.9-178.4-67.4-9.6000111.9E430 Q436 D437 D438E430-N434 WeakPolarHBondContact O-CB 3.33Å; E430-N434 PolarHBondContact O-N 3.29Å; E430-N434 PolarHBondContact O-ND2 2.78Å; N434-Q436 VanDerWaalsContact C-N 3.26Å; N434-Q436 PolarHBondContact O-N 3.41Å; N434-D437 PolarHBondContact O-N 2.85Å; N434-D438 PolarHBondContact O-N 2.95Å
435E60.5Low71.1Confident85 Ų8571.3 Ų71.340%0.39737%0.372SS..Hα-helixtrans-66.9-23.7176.1-69.4-175.517700113.4L431 L433 E439 R500L431-E435 WeakPolarHBondContact O-CG 3.45Å; L433-E435 VanDerWaalsContact C-N 3.27Å; L433-E435 PolarHBondContact O-N 2.72Å; E435-E439 WeakPolarHBondContact O-CG 3.45Å; E435-E439 PolarHBondContact O-N 3.35Å; E435-E439 VanDerWaalsContact O-N 3.16Å; E435-R500 IonicContact OE2-CZ 3.55Å; E435-R500 IonicContact OE2-NE 2.84Å; E435-R500 PolarHBondContact OE2-NE 3.37Å; E435-R500 IonicContact OE2-NH2 2.82Å; E435-R500 PolarHBondContact OE2-NH2 3.07Å
436Q58.5Low69.2Low85 Ų8576.6 Ų76.640%0.39740%0.397SS..Hα-helixtrans-76.2-39.7171.7-70.8180-12.500111.5F432 L433 N434 D438 E439 N440F432-Q436 WeakPolarHBondContact O-CG 3.27Å; L433-Q436 WeakPolarHBondContact O-CB 3.24Å; L433-Q436 PolarHBondContact O-N 3.11Å; N434-Q436 VanDerWaalsContact C-N 3.26Å; N434-Q436 PolarHBondContact O-N 3.41Å; Q436-D438 VanDerWaalsContact C-N 3.33Å; Q436-E439 PolarHBondContact O-N 3.24Å; Q436-N440 WeakPolarHBondContact O-CB 3.37Å; Q436-N440 PolarHBondContact O-N 2.95Å; Q436-N440 PolarHBondContact O-ND2 3.14Å; Q436-N440 VanDerWaalsContact O-ND2 3.08Å
437D59.5Low67.2Low94 Ų9479.2 Ų79.250%0.50342%0.416SS..Hα-helixtrans-64.8-38.4174.6-76.6-21.1000111.2L433 N434 N440 N441L433-D437 PolarHBondContact O-N 2.99Å; L433-D437 VanDerWaalsContact O-N 3.17Å; N434-D437 PolarHBondContact O-N 2.85Å; D437-N440 PolarHBondContact O-N 3.39Å; D437-N441 VanDerWaalsContact O-CB 3.25Å; D437-N441 WeakPolarHBondContact O-CB 3.29Å; D437-N441 PolarHBondContact O-N 2.79Å; D437-N441 PolarHBondContact O-ND2 3.45Å
438D60.4Low65.4Low98 Ų9880.7 Ų80.752%0.52443%0.425SS..Hα-helixtrans-63-41.8171.2-80.6-27.4000112.4N434 Q436 N442N434-D438 PolarHBondContact O-N 2.95Å; Q436-D438 VanDerWaalsContact C-N 3.33Å; D438-N442 VanDerWaalsContact O-CB 3.31Å; D438-N442 WeakPolarHBondContact O-CB 3.37Å; D438-N442 PolarHBondContact O-N 2.79Å; D438-N442 PolarHBondContact O-ND2 2.65Å
439E56.9Low63.4Low85 Ų8582.6 Ų82.640%0.39743%0.433SS..Hα-helixtrans-66-40.5175.8-78.3177173.200112.6E435 Q436 T443 R500E435-E439 WeakPolarHBondContact O-CG 3.45Å; E435-E439 PolarHBondContact O-N 3.35Å; E435-E439 VanDerWaalsContact O-N 3.16Å; Q436-E439 PolarHBondContact O-N 3.24Å; E439-T443 PolarHBondContact O-N 2.81Å; E439-T443 PolarHBondContact O-OG1 2.95Å; E439-R500 IonicContact OE1-CZ 3.75Å; E439-R500 IonicContact OE1-NH1 3.35Å; E439-R500 PolarHBondContact OE1-NH1 3.17Å; E439-R500 IonicContact OE1-NH2 3.66Å; E439-R500 IonicContact OE2-NH1 2.7Å; E439-R500 PolarHBondContact OE2-NH1 3.45Å
440N59.2Low61.5Low91 Ų9187.3 Ų87.349%0.48746%0.46SS..Hα-helixtrans-66.2-42.5175.8-71.9-35.2000112.2Q436 D437 T443 T444Q436-N440 WeakPolarHBondContact O-CB 3.37Å; Q436-N440 PolarHBondContact O-N 2.95Å; Q436-N440 PolarHBondContact O-ND2 3.14Å; Q436-N440 VanDerWaalsContact O-ND2 3.08Å; D437-N440 PolarHBondContact O-N 3.39Å; N440-T443 WeakPolarHBondContact CA-OG1 3.09Å; N440-T443 PolarHBondContact O-OG1 3.03Å; N440-T443 VanDerWaalsContact O-OG1 3.06Å; N440-T444 VanDerWaalsContact O-CB 3.3Å; N440-T444 WeakPolarHBondContact O-CB 3.33Å; N440-T444 PolarHBondContact O-N 3.38Å; N440-T444 PolarHBondContact O-OG1 2.86Å
441N58.8Low59.6Low91 Ų9192 Ų9249%0.48748%0.482SS..Hα-helixtrans-67.4-41176.8-75.7-44.8000111.5D437 T444 N445D437-N441 VanDerWaalsContact O-CB 3.25Å; D437-N441 WeakPolarHBondContact O-CB 3.29Å; D437-N441 PolarHBondContact O-N 2.79Å; D437-N441 PolarHBondContact O-ND2 3.45Å; N441-T444 PolarHBondContact O-N 3.34Å; N441-N445 WeakPolarHBondContact O-CB 3.22Å; N441-N445 PolarHBondContact O-N 3.11Å; N441-N445 PolarHBondContact O-ND2 2.58Å
442N58.5Low57.6Low94 Ų9497.7 Ų97.750%0.50350%0.497SS..Hα-helixtrans-66.8-42.2177.9-79.9-60.2000112.5D438 N445 Q446D438-N442 VanDerWaalsContact O-CB 3.31Å; D438-N442 WeakPolarHBondContact O-CB 3.37Å; D438-N442 PolarHBondContact O-N 2.79Å; D438-N442 PolarHBondContact O-ND2 2.65Å; N442-N445 PolarHBondContact O-N 3.45Å; N442-Q446 WeakPolarHBondContact O-CG 3.43Å; N442-Q446 PolarHBondContact O-N 2.98Å
443T58.7Low55.7Low83 Ų83101.7 Ų101.751%0.50952%0.521SS..Hα-helixtrans-65.3-42.4174.844.20000112.2E439 N440 N445 Q446 S447E439-T443 PolarHBondContact O-N 2.81Å; E439-T443 PolarHBondContact O-OG1 2.95Å; N440-T443 WeakPolarHBondContact CA-OG1 3.09Å; N440-T443 PolarHBondContact O-OG1 3.03Å; N440-T443 VanDerWaalsContact O-OG1 3.06Å; T443-N445 VanDerWaalsContact C-N 3.33Å; T443-N445 PolarHBondContact O-N 3.45Å; T443-Q446 PolarHBondContact O-N 2.6Å; T443-S447 PolarHBondContact O-N 2.97Å; T443-S447 PolarHBondContact O-OG 3.4Å
444T56.8Low53.9Low73 Ų73102.1 Ų102.145%0.44853%0.531SS..Hα-helixtrans-65.6-33.5177-54.70000112.7N440 N441 S447 N448N440-T444 VanDerWaalsContact O-CB 3.3Å; N440-T444 WeakPolarHBondContact O-CB 3.33Å; N440-T444 PolarHBondContact O-N 3.38Å; N440-T444 PolarHBondContact O-OG1 2.86Å; N441-T444 PolarHBondContact O-N 3.34Å; T444-S447 PolarHBondContact O-OG 3.02Å; T444-S447 VanDerWaalsContact O-OG 3.1Å; T444-N448 WeakPolarHBondContact O-CB 3.38Å; T444-N448 PolarHBondContact O-N 3.23Å; T444-N448 PolarHBondContact O-ND2 3.41Å
445N55.8Low52.2Low91 Ų91104.2 Ų104.249%0.48754%0.541SS..Hα-helixtrans-76.2-27.3173.9-75.6-40.1000112.9N441 N442 T443 N449N441-N445 WeakPolarHBondContact O-CB 3.22Å; N441-N445 PolarHBondContact O-N 3.11Å; N441-N445 PolarHBondContact O-ND2 2.58Å; N442-N445 PolarHBondContact O-N 3.45Å; T443-N445 VanDerWaalsContact C-N 3.33Å; T443-N445 PolarHBondContact O-N 3.45Å; N445-N449 WeakPolarHBondContact O-CB 3.33Å; N445-N449 PolarHBondContact O-N 2.77Å; N445-N449 PolarHBondContact O-ND2 3.31Å
446Q52.4Low51Low126 Ų126107 Ų10759%0.58956%0.558SS**Hα-helixtrans-74.8-40.9174.7-76-178.96.800112.4N442 T443 N449 N450N442-Q446 WeakPolarHBondContact O-CG 3.43Å; N442-Q446 PolarHBondContact O-N 2.98Å; T443-Q446 PolarHBondContact O-N 2.6Å; Q446-N449 PolarHBondContact O-N 3.28Å; Q446-N450 WeakPolarHBondContact O-CB 3.32Å; Q446-N450 VanDerWaalsContact O-CG 3.23Å; Q446-N450 PolarHBondContact O-N 3.13Å; Q446-N450 PolarHBondContact O-ND2 3.41Å
447S51.7Low49.9Very low60 Ų60111.8 Ų111.842%0.4258%0.578SS.*Hα-helixtrans-62.5-50.2174.952.40000111.9T443 T444 N449 N450 E451T443-S447 PolarHBondContact O-N 2.97Å; T443-S447 PolarHBondContact O-OG 3.4Å; T444-S447 PolarHBondContact O-OG 3.02Å; T444-S447 VanDerWaalsContact O-OG 3.1Å; S447-N449 PolarHBondContact O-N 2.77Å; S447-N450 PolarHBondContact O-N 3.21Å; S447-N450 VanDerWaalsContact O-N 3.13Å; S447-E451 PolarHBondContact O-N 3.25Å; S447-E451 VanDerWaalsContact O-N 3.16Å
448N51.5Low48.5Very low78 Ų78118.6 Ų118.642%0.41760%0.597SS.*Hα-helixtrans-61.3-27.1178.6-80.9-66000114.3T444 R452T444-N448 WeakPolarHBondContact O-CB 3.38Å; T444-N448 PolarHBondContact O-N 3.23Å; T444-N448 PolarHBondContact O-ND2 3.41Å; N448-R452 WeakPolarHBondContact O-CG 3.17Å
449N49.2Very low47.5Very low93 Ų93121 Ų12150%0.49761%0.609SS.*Hα-helixtrans-86.7-26.6175.9-77.7-43.6000113.3N445 Q446 S447 N453N445-N449 WeakPolarHBondContact O-CB 3.33Å; N445-N449 PolarHBondContact O-N 2.77Å; N445-N449 PolarHBondContact O-ND2 3.31Å; Q446-N449 PolarHBondContact O-N 3.28Å; S447-N449 PolarHBondContact O-N 2.77Å; N449-N453 PolarHBondContact O-ND2 2.85Å
450N46.9Very low46.7Very low121 Ų121127.4 Ų127.465%0.64763%0.631SS**Hα-helixtrans-77.6-34.7178.1-73.9-19000112.4Q446 S447 R452Q446-N450 WeakPolarHBondContact O-CB 3.32Å; Q446-N450 VanDerWaalsContact O-CG 3.23Å; Q446-N450 PolarHBondContact O-N 3.13Å; Q446-N450 PolarHBondContact O-ND2 3.41Å; S447-N450 PolarHBondContact O-N 3.21Å; S447-N450 VanDerWaalsContact O-N 3.13Å; N450-R452 VanDerWaalsContact C-N 3.27Å; N450-R452 PolarHBondContact O-N 3.36Å
451E47.4Very low45.7Very low164 Ų164128.6 Ų128.677%0.76664%0.637SS**THydrogen-bonded Turntrans-74.1-13.5176.7-67-169.2151.600114S447S447-E451 PolarHBondContact O-N 3.25Å; S447-E451 VanDerWaalsContact O-N 3.16Å
452R42.2Very low44.6Very low203 Ų203132.3 Ų132.377%0.76665%0.649SS**THydrogen-bonded Turntrans-97.5-2.8-177.4-76.9-176.9169.2178.3-1.7115.8N448 N450N448-R452 WeakPolarHBondContact O-CG 3.17Å; N450-R452 VanDerWaalsContact C-N 3.27Å; N450-R452 PolarHBondContact O-N 3.36Å
453N37.5Very low43.7Very low138 Ų138132.9 Ų132.974%0.73866%0.658SS**SBendtrans-114.112.7-169.4-82.5-58.1000115.4N449N449-N453 PolarHBondContact O-ND2 2.85Å
454S38Very low42.4Very low93 Ų93136.4 Ų136.465%0.6567%0.674SS**SBendtrans-121.3-9.1-175.756.90000115.7
455I35.9Very low41.4Very low142 Ų142142.1 Ų142.173%0.72869%0.692SS**  trans-140.788.7-176.3-46.3177000110.7
456D35.7Very low40.5Very low143 Ų143143.1 Ų143.177%0.76570%0.702SS**  -164.8170.2100.3-134.1-31.7000113.8
457K35.2Very low39.7Very low187 Ų187143.1 Ų143.181%0.81371%0.706SS**  trans-87.4139.5-163.2-65.6144.9-175.7159.60114.4
458R30.3Very low38.9Very low236 Ų236149.2 Ų149.289%0.89173%0.725SS**  trans-3.3125.7142.1-52.1171.4-177.2175.7-0.7115.6
459L39.2Very low38.2Very low149 Ų149154.9 Ų154.978%0.7875%0.746SS**  trans-174148.8138.1-103158000113.1
460Y40Very low37.6Very low220 Ų220156 Ų15686%0.86376%0.756SS**  trans70.9152.9172.8-69.3-70.1000120.8
461D38.1Very low36.7Very low116 Ų116157.2 Ų157.262%0.6276%0.762SS**  trans-154.2130.9-151.8-169.417.2000111.8
462K36.8Very low36.4Very low168 Ų168160.4 Ų160.473%0.7377%0.769SS**  trans62.2170.9156.2-81.8170.1-156.5107.90120.9
463P38.5Very low36.1Very low107 Ų107155.4 Ų155.470%0.69576%0.763SS**  cis-138.4156.3-31.834.6-16.8000117.3
464N32.2Very low35.9Very low157 Ų157156 Ų15684%0.8477%0.766SS**  trans30.1134.2144.5-67.2-9.4000124.2
465K35.8Very low36Very low193 Ų193161.1 Ų161.184%0.83978%0.78SS**  trans-162.5116.6131.2-115.1167.6-173.9174.90116.5
466T36.7Very low36.2Very low111 Ų111161.2 Ų161.268%0.68178%0.782SS**  trans44.1123.114158.60000121
467N35.2Very low36.2Very low127 Ų127161.3 Ų161.368%0.67979%0.788SS**  -176.2141.675.1-97.2-59.7000115.9
468K35.1Very low36.3Very low188 Ų188157.3 Ų157.382%0.81778%0.781SS**  trans26.8124.5136.7-65.9167.8176.1170.60119
469K35.9Very low36.4Very low196 Ų196152.6 Ų152.685%0.85278%0.778SS**  176.1163.673.8-121.5179.5178.5-175.70107.7
470V37Very low36.4Very low117 Ų117149.9 Ų149.971%0.70977%0.772SS**  cis-146.5172.6-0.9-150.90000108
471N29.1Very low36.1Very low147 Ų147145.8 Ų145.879%0.78677%0.77SS**  trans-115.8161.1170.7-70.512000113
472Y39.4Very low35.9Very low230 Ų230146.6 Ų146.690%0.90278%0.779SS**  trans-137.9147.8145.2-80.2-73.3000109.4
473P37.3Very low35.8Very low99 Ų99144.1 Ų144.164%0.64378%0.783SS**  trans-113.2152.4-162.940.4-32.4000116.9
474D33.6Very low35.5Very low150 Ų150142.4 Ų142.480%0.80279%0.785SS**  trans31.7129.8135.2-41.7-32.2000122.3
475Q40.3Very low35.5Very low200 Ų200140.3 Ų140.394%0.93578%0.782SS**  trans-158.2143.2132.1-115.4174.921.500111.8
476D38.1Very low35.3Very low145 Ų145140.1 Ų140.178%0.77579%0.785SS**  trans-95.5151.4-164-51.9-91.8000115.6
477T36.1Very low35.1Very low145 Ų145139.7 Ų139.789%0.8979%0.786SS**  trans-162.8129.7138.1-4.40000111.3
478P37Very low34.9Very low103 Ų103143.4 Ų143.467%0.66980%0.796SS**  trans-107.7166-170.939.7-35.6000115.5
479T34.3Very low34.6Very low136 Ų136142.9 Ų142.983%0.83480%0.797SS**  trans65.3145.5159.444.30000118.3
480S37.5Very low34.3Very low92 Ų92141.9 Ų141.964%0.64380%0.795SS**  cis-158.7171.3-0.552.80000111.6
481T35.1Very low34.2Very low135 Ų135142.8 Ų142.883%0.82880%0.803SS**  trans67.6139.8172.673.10000115.7
482T34Very low34.1Very low132 Ų132141.4 Ų141.481%0.8181%0.805SS**  cis-138123.65.5-57.80000110.1G484T482-G484 PolarHBondContact O-N 3.08Å
483S33.5Very low34Very low117 Ų117133.2 Ų133.282%0.81879%0.791SS**  trans-90.388.2178.539.20000112.6S485S483-S485 PolarHBondContact O-N 2.69Å
484G31.7Very low34.5Very low71 Ų71134.8 Ų134.873%0.73279%0.794SS**  trans-69.793.4173.700000112.9T482 Q486T482-G484 PolarHBondContact O-N 3.08Å; G484-Q486 PolarHBondContact O-N 2.93Å
485S33.1Very low35.2Very low112 Ų112133.7 Ų133.778%0.78379%0.788SS**  trans-7483-178.343.50000113.1S483 S487S483-S485 PolarHBondContact O-N 2.69Å; S485-S487 PolarHBondContact O-N 3.18Å
486Q31.9Very low36.2Very low190 Ų190126 Ų12689%0.88876%0.762SS**  trans-6896.5167.1-73.8-169.3-8.300110.9G484 K488G484-Q486 PolarHBondContact O-N 2.93Å; Q486-K488 PolarHBondContact O-N 3.33Å; Q486-K488 VanDerWaalsContact O-N 3.15Å
487S31.2Very low37.7Very low102 Ų102121.3 Ų121.371%0.71374%0.741SS**  trans-65.1108172.346.90000110.6S485 Q489S485-S487 PolarHBondContact O-N 3.18Å; S487-Q489 PolarHBondContact O-N 2.93Å
488K32Very low39.6Very low204 Ų204119 Ų11989%0.88772%0.723SS**  trans-6595.8165.5-78-178.3172.7178.70109.1Q486 Q490Q486-K488 PolarHBondContact O-N 3.33Å; Q486-K488 VanDerWaalsContact O-N 3.15Å; K488-Q490 PolarHBondContact O-N 2.99Å; K488-Q490 VanDerWaalsContact O-N 3.13Å
489Q29.2Very low41.5Very low178 Ų178120 Ų12083%0.83272%0.722SS**  trans-62.3112.5168.3-72.5-179.9-25.100109.1S487 P491S487-Q489 PolarHBondContact O-N 2.93Å; Q489-P491 WeakPolarHBondContact O-CD 3.38Å
490Q29.1Very low43.2Very low175 Ų175115.4 Ų115.482%0.81869%0.69SS**  trans-74.6121161.6-69.4175.5-51.200107.5K488 S492K488-Q490 PolarHBondContact O-N 2.99Å; K488-Q490 VanDerWaalsContact O-N 3.13Å; Q490-S492 PolarHBondContact O-N 3.1Å
491P34Very low45.2Very low136 Ų136113.4 Ų113.488%0.88368%0.679SS**  trans-72.3101.6173.728.9-32.4000109.1Q489Q489-P491 WeakPolarHBondContact O-CD 3.38Å
492S28.9Very low47.5Very low117 Ų117111.5 Ų111.582%0.81867%0.667SS**  trans-85.5134.5-175.339.20000113.1Q490Q490-S492 PolarHBondContact O-N 3.1Å
493G36.8Very low49.8Very low59 Ų59106.2 Ų106.261%0.60864%0.637SS**SBendtrans86.8113.1158.800000117.6N495G493-N495 PolarHBondContact O-N 2.91Å
494N47.4Very low52.2Low132 Ų132105.8 Ų105.871%0.70662%0.618SS**SBendtrans43.2-19.2155.1-84.95.3000123G496 S497 N498N494-G496 VanDerWaalsContact C-N 3.32Å; N494-G496 PolarHBondContact O-N 2.97Å; N494-S497 PolarHBondContact O-OG 2.77Å; N494-S497 VanDerWaalsContact O-OG 3.14Å; N494-N498 PolarHBondContact O-ND2 3.32Å
495N48.7Very low54.8Low126 Ų126107 Ų10767%0.67461%0.611SS**Hα-helixtrans-75.1-24.4-176.2-68.8-21.4000112.3G493 L499G493-N495 PolarHBondContact O-N 2.91Å; N495-L499 VanDerWaalsContact O-CB 3.28Å; N495-L499 WeakPolarHBondContact O-CB 3.42Å; N495-L499 PolarHBondContact O-N 2.9Å
496G61.4Low57.5Low39 Ų39106.3 Ų106.340%0.40260%0.598SS.*Hα-helixtrans-64.5-50.8176.600000113.3N494 N498 L499 R500N494-G496 VanDerWaalsContact C-N 3.32Å; N494-G496 PolarHBondContact O-N 2.97Å; G496-N498 PolarHBondContact O-N 3.31Å; G496-L499 PolarHBondContact O-N 2.65Å; G496-R500 WeakPolarHBondContact O-CG 3.44Å; G496-R500 PolarHBondContact O-N 3.3Å
497S67.8Low60.1Low46 Ų4698.2 Ų98.232%0.32256%0.561SS.*Hα-helixtrans-64-40.8178.652.20000112.1N494 R500 A501N494-S497 PolarHBondContact O-OG 2.77Å; N494-S497 VanDerWaalsContact O-OG 3.14Å; S497-R500 PolarHBondContact O-N 3.35Å; S497-A501 PolarHBondContact O-N 3.47Å
498N76.3Confident62.9Low98 Ų9897.1 Ų97.152%0.52455%0.546SS..Hα-helixtrans-59.2-45171.4-74.7-26.3000112.1N494 G496 A501 V502N494-N498 PolarHBondContact O-ND2 3.32Å; G496-N498 PolarHBondContact O-N 3.31Å; N498-A501 PolarHBondContact O-N 2.99Å; N498-V502 WeakPolarHBondContact O-CG2 3.42Å; N498-V502 PolarHBondContact O-N 3.22Å
499L76.9Confident65.8Low123 Ų12392.7 Ų92.764%0.64453%0.527SS*.Hα-helixtrans-64.6-39.9178.2-174.964.9000112.2N495 G496 V502 A503N495-L499 VanDerWaalsContact O-CB 3.28Å; N495-L499 WeakPolarHBondContact O-CB 3.42Å; N495-L499 PolarHBondContact O-N 2.9Å; G496-L499 PolarHBondContact O-N 2.65Å; L499-V502 PolarHBondContact O-N 3.03Å; L499-A503 WeakPolarHBondContact O-CB 3.14Å; L499-A503 PolarHBondContact O-N 3.37Å
500R70.7Confident68.8Low39 Ų3986.8 Ų86.815%0.14750%0.5CS..Hα-helixtrans-62.2-43.4173-67.7-172.6-164.7106.60.5112F432 E435 E439 G496 S497 V502 A503 Y504F432-R500 HydrophobicContact CD1-CB 4.4Å; F432-R500 HydrophobicContact CD1-CG 3.95Å; F432-R500 HydrophobicContact CE1-CG 4.31Å; E435-R500 IonicContact OE2-CZ 3.55Å; E435-R500 IonicContact OE2-NE 2.84Å; E435-R500 PolarHBondContact OE2-NE 3.37Å; E435-R500 IonicContact OE2-NH2 2.82Å; E435-R500 PolarHBondContact OE2-NH2 3.07Å; E439-R500 IonicContact OE1-CZ 3.75Å; E439-R500 IonicContact OE1-NH1 3.35Å; E439-R500 PolarHBondContact OE1-NH1 3.17Å; E439-R500 IonicContact OE1-NH2 3.66Å; E439-R500 IonicContact OE2-NH1 2.7Å; E439-R500 PolarHBondContact OE2-NH1 3.45Å; G496-R500 WeakPolarHBondContact O-CG 3.44Å; G496-R500 PolarHBondContact O-N 3.3Å; S497-R500 PolarHBondContact O-N 3.35Å; R500-V502 PolarHBondContact O-N 2.91Å; R500-A503 PolarHBondContact O-N 3.22Å; R500-Y504 WeakPolarHBondContact O-CB 3.33Å; R500-Y504 PolarHBondContact O-N 2.78Å
501A78.9Confident71.8Confident51 Ų5180 Ų8042%0.42147%0.469SS..Hα-helixtrans-61.6-43.7177.300000111.6S497 N498 Y504 V505S497-A501 PolarHBondContact O-N 3.47Å; N498-A501 PolarHBondContact O-N 2.99Å; A501-Y504 PolarHBondContact O-N 2.84Å; A501-V505 WeakPolarHBondContact O-CG2 3.4Å; A501-V505 PolarHBondContact O-N 3.44Å
502V83.4Confident74.7Confident95 Ų9580.5 Ų80.558%0.57646%0.455SS*.Hα-helixtrans-62.3-43.3173.6171.60000111.5N498 L499 R500 V505 L506N498-V502 WeakPolarHBondContact O-CG2 3.42Å; N498-V502 PolarHBondContact O-N 3.22Å; L499-V502 PolarHBondContact O-N 3.03Å; R500-V502 PolarHBondContact O-N 2.91Å; V502-V505 PolarHBondContact O-N 3.47Å; V502-L506 WeakPolarHBondContact O-CB 3.28Å; V502-L506 PolarHBondContact O-N 3.2Å
503A83.7Confident77.8Confident21 Ų2178.3 Ų78.317%0.17443%0.433CS..Hα-helixtrans-63.8-41.1177.700000112.4F432 L499 R500 L506 I507F432-A503 HydrophobicContact CE1-CB 4.31Å; F432-A503 HydrophobicContact CE2-CB 3.95Å; F432-A503 HydrophobicContact CZ-CB 3.68Å; L499-A503 WeakPolarHBondContact O-CB 3.14Å; L499-A503 PolarHBondContact O-N 3.37Å; R500-A503 PolarHBondContact O-N 3.22Å; A503-L506 PolarHBondContact O-N 2.78Å; A503-I507 WeakPolarHBondContact O-CD1 3.42Å; A503-I507 VanDerWaalsContact O-CG1 3.27Å; A503-I507 WeakPolarHBondContact O-CG1 3.39Å; A503-I507 PolarHBondContact O-N 3.35Å
504Y82.5Confident80.6Confident108 Ų10875.7 Ų75.742%0.42441%0.405SS..Hα-helixtrans-63.4-45.2176.1-175.2-98.1000111.9F429 R500 A501 I507 I508F429-Y504 HydrophobicContact CD1-CD2 4.22Å; F429-Y504 HydrophobicContact CD1-CE2 4.05Å; F429-Y504 AromaticContact CE1-CD2 3.84Å; F429-Y504 HydrophobicContact CE1-CD2 3.84Å; F429-Y504 AromaticContact CE1-CE2 3.67Å; F429-Y504 HydrophobicContact CE1-CE2 3.67Å; R500-Y504 WeakPolarHBondContact O-CB 3.33Å; R500-Y504 PolarHBondContact O-N 2.78Å; A501-Y504 PolarHBondContact O-N 2.84Å; Y504-I507 PolarHBondContact O-N 3.27Å; Y504-I508 HydrophobicContact CD1-CD1 3.84Å; Y504-I508 HydrophobicContact CE1-CD1 3.31Å; Y504-I508 HydrophobicContact CE1-CG1 4.47Å; Y504-I508 HydrophobicContact CE2-CD1 4.4Å; Y504-I508 WeakPolarHBondContact O-CG1 3.41Å; Y504-I508 PolarHBondContact O-N 2.66Å
505V86.4Confident82.8Confident97 Ų9772.7 Ų72.759%0.58839%0.392SS*.Hα-helixtrans-62-43.1174170.60000111.3A501 V502 I508 F509A501-V505 WeakPolarHBondContact O-CG2 3.4Å; A501-V505 PolarHBondContact O-N 3.44Å; V502-V505 PolarHBondContact O-N 3.47Å; V505-I508 PolarHBondContact O-N 2.74Å; V505-F509 WeakPolarHBondContact O-CB 3.34Å; V505-F509 PolarHBondContact O-N 3.35Å
506L89.4Confident85.1Confident97 Ų9769 Ų6951%0.50838%0.375SS..Hα-helixtrans-62.1-43.3177.6-176.667.8000112V502 A503 F509 I510V502-L506 WeakPolarHBondContact O-CB 3.28Å; V502-L506 PolarHBondContact O-N 3.2Å; A503-L506 PolarHBondContact O-N 2.78Å; L506-F509 PolarHBondContact O-N 3.41Å; L506-I510 HydrophobicContact CD1-CD1 4.43Å; L506-I510 HydrophobicContact CG-CD1 4.02Å; L506-I510 WeakPolarHBondContact O-CB 3.23Å; L506-I510 VanDerWaalsContact O-CG1 3.27Å; L506-I510 WeakPolarHBondContact O-CG1 3.49Å; L506-I510 PolarHBondContact O-N 3.17Å
507I88.4Confident86.7Confident20 Ų2068.7 Ų68.710%0.10336%0.363CS..Hα-helixtrans-65.8-43.5177.7-68.5161.8000110.8F425 V428 F429 F432 A503 Y504 F509 I510 L511F425-I507 HydrophobicContact CD1-CG2 4.03Å; F425-I507 HydrophobicContact CE1-CG2 4.05Å; V428-I507 HydrophobicContact CG1-CD1 3.49Å; V428-I507 VanDerWaalsContact CG1-CD1 3.49Å; F429-I507 HydrophobicContact CE1-CG2 4.2Å; F429-I507 HydrophobicContact CE2-CG2 3.91Å; F429-I507 HydrophobicContact CZ-CG2 3.48Å; F429-I507 VanDerWaalsContact CZ-CG2 3.48Å; F432-I507 HydrophobicContact CD2-CD1 4.28Å; F432-I507 HydrophobicContact CE2-CD1 3.84Å; A503-I507 WeakPolarHBondContact O-CD1 3.42Å; A503-I507 VanDerWaalsContact O-CG1 3.27Å; A503-I507 WeakPolarHBondContact O-CG1 3.39Å; A503-I507 PolarHBondContact O-N 3.35Å; Y504-I507 PolarHBondContact O-N 3.27Å; I507-F509 VanDerWaalsContact C-N 3.31Å; I507-F509 PolarHBondContact O-N 2.93Å; I507-I510 PolarHBondContact O-N 3.1Å; I507-L511 HydrophobicContact CG2-CD1 4.15Å; I507-L511 HydrophobicContact CG2-CG 4.49Å; I507-L511 VanDerWaalsContact O-CG 3.31Å; I507-L511 WeakPolarHBondContact O-CG 3.4Å; I507-L511 PolarHBondContact O-N 3.31Å
508I88.6Confident88Confident78 Ų7866.5 Ų66.540%0.435%0.348SS..Hα-helixtrans-62.5-39.2175-72.8178.4000111.2Y504 V505 L511 Y512Y504-I508 HydrophobicContact CD1-CD1 3.84Å; Y504-I508 HydrophobicContact CE1-CD1 3.31Å; Y504-I508 HydrophobicContact CE1-CG1 4.47Å; Y504-I508 HydrophobicContact CE2-CD1 4.4Å; Y504-I508 WeakPolarHBondContact O-CG1 3.41Å; Y504-I508 PolarHBondContact O-N 2.66Å; V505-I508 PolarHBondContact O-N 2.74Å; I508-L511 PolarHBondContact O-N 3.39Å; I508-Y512 WeakPolarHBondContact O-CB 3.38Å; I508-Y512 PolarHBondContact O-N 3.12Å
509F92.4Very high88.9Confident112 Ų11264.6 Ų64.649%0.49134%0.34SS..Hα-helixtrans-64.6-41.7175.4-178.9-109.2000112.2V505 L506 I507 L511 Y512 L513V505-F509 WeakPolarHBondContact O-CB 3.34Å; V505-F509 PolarHBondContact O-N 3.35Å; L506-F509 PolarHBondContact O-N 3.41Å; I507-F509 VanDerWaalsContact C-N 3.31Å; I507-F509 PolarHBondContact O-N 2.93Å; F509-L511 VanDerWaalsContact C-N 3.35Å; F509-L511 PolarHBondContact O-N 2.67Å; F509-Y512 WeakPolarHBondContact O-CB 3.46Å; F509-Y512 PolarHBondContact O-N 2.87Å; F509-L513 HydrophobicContact CD1-CD1 4.06Å; F509-L513 HydrophobicContact CE1-CD1 3.58Å; F509-L513 HydrophobicContact CE1-CG 4.18Å; F509-L513 HydrophobicContact CE2-CG 4.49Å; F509-L513 HydrophobicContact CZ-CD1 3.96Å; F509-L513 HydrophobicContact CZ-CD2 4.22Å; F509-L513 HydrophobicContact CZ-CG 4.16Å; F509-L513 WeakPolarHBondContact O-CG 3.21Å; F509-L513 PolarHBondContact O-N 2.82Å
510I92.6Very high89.8Confident54 Ų5465.7 Ų65.728%0.27734%0.336SS..Hα-helixtrans-61.9-41.4173.5-72.5165.7000111.3V369 F425 L506 I507 L513 F514V369-I510 HydrophobicContact CB-CG2 4.37Å; V369-I510 HydrophobicContact CG1-CG2 3.54Å; V369-I510 HydrophobicContact CG2-CG2 3.88Å; F425-I510 HydrophobicContact CZ-CG2 4.49Å; L506-I510 HydrophobicContact CD1-CD1 4.43Å; L506-I510 HydrophobicContact CG-CD1 4.02Å; L506-I510 WeakPolarHBondContact O-CB 3.23Å; L506-I510 VanDerWaalsContact O-CG1 3.27Å; L506-I510 WeakPolarHBondContact O-CG1 3.49Å; L506-I510 PolarHBondContact O-N 3.17Å; I507-I510 PolarHBondContact O-N 3.1Å; I510-L513 PolarHBondContact O-N 2.87Å; I510-F514 PolarHBondContact O-N 2.69Å
511L93.1Very high91Very high31 Ų3163.8 Ų63.816%0.16233%0.329CS..Hα-helixtrans-68.6-34.3175.6-68.3174.8000112.4F149 F153 F425 F429 I507 I508 F509 F514 V515F149-L511 HydrophobicContact CE1-CD1 4.39Å; F153-L511 HydrophobicContact CE1-CD2 3.78Å; F153-L511 HydrophobicContact CZ-CD2 3.9Å; F425-L511 HydrophobicContact CD1-CD2 4.48Å; F425-L511 HydrophobicContact CD2-CD2 4.46Å; F425-L511 HydrophobicContact CE1-CD2 4.13Å; F425-L511 HydrophobicContact CE1-CG 4.48Å; F425-L511 HydrophobicContact CE2-CD2 4.09Å; F425-L511 HydrophobicContact CZ-CD2 3.92Å; F429-L511 HydrophobicContact CE2-CD1 4.26Å; F429-L511 HydrophobicContact CZ-CD1 4.22Å; I507-L511 HydrophobicContact CG2-CD1 4.15Å; I507-L511 HydrophobicContact CG2-CG 4.49Å; I507-L511 VanDerWaalsContact O-CG 3.31Å; I507-L511 WeakPolarHBondContact O-CG 3.4Å; I507-L511 PolarHBondContact O-N 3.31Å; I508-L511 PolarHBondContact O-N 3.39Å; F509-L511 VanDerWaalsContact C-N 3.35Å; F509-L511 PolarHBondContact O-N 2.67Å; L511-F514 WeakPolarHBondContact O-CB 3.44Å; L511-F514 PolarHBondContact O-N 2.92Å; L511-V515 WeakPolarHBondContact O-CG2 3.25Å; L511-V515 PolarHBondContact O-N 3.5Å; L511-V515 VanDerWaalsContact O-N 3.07Å
512Y93.6Very high91.6Very high148 Ų14861.4 Ų61.458%0.5831%0.309SS*.Hα-helixtrans-64.6-47.7171.7172.4-97.6000111.5I508 F509 F514 V515 S516I508-Y512 WeakPolarHBondContact O-CB 3.38Å; I508-Y512 PolarHBondContact O-N 3.12Å; F509-Y512 WeakPolarHBondContact O-CB 3.46Å; F509-Y512 PolarHBondContact O-N 2.87Å; Y512-F514 VanDerWaalsContact C-N 3.28Å; Y512-F514 PolarHBondContact O-N 2.97Å; Y512-V515 PolarHBondContact O-N 3.37Å; Y512-V515 VanDerWaalsContact O-N 3.13Å; Y512-S516 PolarHBondContact O-N 3.11Å; Y512-S516 PolarHBondContact O-OG 2.85Å
513L94.6Very high92Very high71 Ų7157.6 Ų57.637%0.37229%0.286SS..Hα-helixtrans-58.5-40174.6-70.5177.2000111.9F509 I510 S516 H517F509-L513 HydrophobicContact CD1-CD1 4.06Å; F509-L513 HydrophobicContact CE1-CD1 3.58Å; F509-L513 HydrophobicContact CE1-CG 4.18Å; F509-L513 HydrophobicContact CE2-CG 4.49Å; F509-L513 HydrophobicContact CZ-CD1 3.96Å; F509-L513 HydrophobicContact CZ-CD2 4.22Å; F509-L513 HydrophobicContact CZ-CG 4.16Å; F509-L513 WeakPolarHBondContact O-CG 3.21Å; F509-L513 PolarHBondContact O-N 2.82Å; I510-L513 PolarHBondContact O-N 2.87Å; L513-S516 PolarHBondContact O-N 3.25Å; L513-H517 VanDerWaalsContact O-CB 3.25Å; L513-H517 WeakPolarHBondContact O-CB 3.26Å; L513-H517 PolarHBondContact O-N 3.15Å
514F95.1Very high92.3Very high3 Ų361.2 Ų61.21%0.01330%0.303CS..Hα-helixtrans-56.8-51.4172.2177-107.3000111.8F153 I156 H368 V369 L370 I510 L511 Y512 S516 H517 C518F153-F514 HydrophobicContact CD1-CD1 4.37Å; F153-F514 AromaticContact CD1-CE1 3.86Å; F153-F514 HydrophobicContact CD1-CE1 3.86Å; I156-F514 HydrophobicContact CD1-CD1 4.1Å; I156-F514 HydrophobicContact CD1-CE1 3.73Å; I156-F514 HydrophobicContact CG1-CE1 3.84Å; I156-F514 HydrophobicContact CG1-CZ 4.36Å; H368-F514 HydrophobicContact CB-CD2 4.37Å; V369-F514 HydrophobicContact CB-CD2 4.37Å; V369-F514 HydrophobicContact CG2-CB 4.13Å; L370-F514 HydrophobicContact CD1-CE2 3.76Å; L370-F514 HydrophobicContact CD1-CZ 3.65Å; L370-F514 HydrophobicContact CD2-CE2 4.22Å; L370-F514 HydrophobicContact CD2-CZ 4.22Å; L370-F514 HydrophobicContact CG-CD2 4.36Å; L370-F514 HydrophobicContact CG-CE2 3.65Å; L370-F514 HydrophobicContact CG-CZ 3.93Å; I510-F514 PolarHBondContact O-N 2.69Å; L511-F514 WeakPolarHBondContact O-CB 3.44Å; L511-F514 PolarHBondContact O-N 2.92Å; Y512-F514 VanDerWaalsContact C-N 3.28Å; Y512-F514 PolarHBondContact O-N 2.97Å; F514-S516 PolarHBondContact O-N 3.41Å; F514-H517 PolarHBondContact O-N 2.74Å; F514-C518 WeakPolarHBondContact CE2-SG 3.26Å; F514-C518 VanDerWaalsContact CZ-SG 3.53Å; F514-C518 WeakPolarHBondContact O-CB 3.15Å; F514-C518 PolarHBondContact O-N 2.72Å; F514-C518 PolarHBondContact O-SG 2.95Å
515V95.3Very high92.6Very high70 Ų7058.1 Ų58.142%0.42430%0.3SS..Hα-helixtrans-60-47.3177.5175.20000111.8I156 L511 Y512 H517 C518 V519I156-V515 HydrophobicContact CD1-CB 4.4Å; I156-V515 HydrophobicContact CD1-CG2 3.77Å; L511-V515 WeakPolarHBondContact O-CG2 3.25Å; L511-V515 PolarHBondContact O-N 3.5Å; L511-V515 VanDerWaalsContact O-N 3.07Å; Y512-V515 PolarHBondContact O-N 3.37Å; Y512-V515 VanDerWaalsContact O-N 3.13Å; V515-H517 PolarHBondContact O-N 3.12Å; V515-C518 PolarHBondContact O-N 3.43Å; V515-V519 HydrophobicContact CG1-CG2 4.48Å; V515-V519 WeakPolarHBondContact O-CG2 3.41Å; V515-V519 PolarHBondContact O-N 3.03Å
516S95.4Very high92.8Very high47 Ų4756.2 Ų56.233%0.32928%0.282SS..Hα-helixtrans-59.5-43.6178.6-66.80000112.4Y512 L513 F514 W520Y512-S516 PolarHBondContact O-N 3.11Å; Y512-S516 PolarHBondContact O-OG 2.85Å; L513-S516 PolarHBondContact O-N 3.25Å; F514-S516 PolarHBondContact O-N 3.41Å; S516-W520 WeakPolarHBondContact O-CB 3.48Å; S516-W520 PolarHBondContact O-N 2.82Å
517H96.3Very high92.6Very high33 Ų3351.8 Ų51.815%0.15326%0.259CS..Hα-helixtrans-63-48175.6177.7-84.8000111.7F365 H368 L513 F514 V515 V519 W520 V521F365-H517 PolarHBondContact O-CE1 3.48Å; H368-H517 VanDerWaalsContact CD2-CB 3.47Å; H368-H517 WeakPolarHBondContact CD2-CB 3.42Å; H368-H517 AromaticContact CD2-CD2 3.9Å; H368-H517 AromaticContact CD2-CG 3.49Å; H368-H517 VanDerWaalsContact CD2-CG 3.49Å; H368-H517 AromaticContact CD2-ND1 3.92Å; H368-H517 AromaticContact CG-CG 3.84Å; H368-H517 AromaticContact CG-ND1 3.92Å; L513-H517 VanDerWaalsContact O-CB 3.25Å; L513-H517 WeakPolarHBondContact O-CB 3.26Å; L513-H517 PolarHBondContact O-N 3.15Å; F514-H517 PolarHBondContact O-N 2.74Å; V515-H517 PolarHBondContact O-N 3.12Å; H517-V519 VanDerWaalsContact C-N 3.34Å; H517-V519 PolarHBondContact O-N 2.93Å; H517-W520 PolarHBondContact O-N 3.09Å; H517-W520 VanDerWaalsContact O-N 3.16Å; H517-V521 VanDerWaalsContact CE1-CG2 3.46Å; H517-V521 WeakPolarHBondContact CE1-CG2 3.32Å; H517-V521 WeakPolarHBondContact O-CG2 3.41Å; H517-V521 PolarHBondContact O-N 2.85Å
518C95.4Very high92.3Very high0 Ų054.2 Ų54.20%028%0.278CS..Hα-helixtrans-61-41.5-179.7-66.80000112.6I156 P158 F514 V515 S522I156-C518 HydrophobicContact CB-CB 4.34Å; I156-C518 HydrophobicContact CD1-CB 4.37Å; I156-C518 HydrophobicContact CG1-CB 4.34Å; I156-C518 WeakPolarHBondContact O-CB 3.46Å; P158-C518 VanDerWaalsContact CD-SG 3.53Å; P158-C518 HydrophobicContact CG-CB 4.12Å; F514-C518 WeakPolarHBondContact CE2-SG 3.26Å; F514-C518 VanDerWaalsContact CZ-SG 3.53Å; F514-C518 WeakPolarHBondContact O-CB 3.15Å; F514-C518 PolarHBondContact O-N 2.72Å; F514-C518 PolarHBondContact O-SG 2.95Å; V515-C518 PolarHBondContact O-N 3.43Å; C518-S522 WeakPolarHBondContact O-CB 3.37Å; C518-S522 PolarHBondContact O-N 3.46Å
519V95.2Very high92.1Very high59 Ų5950.6 Ų50.636%0.35826%0.26SS..Hα-helixtrans-65-44.3173.51730000111.1I36 F39 V515 H517 S522 S523I36-V519 HydrophobicContact CD1-CG2 3.99Å; F39-V519 HydrophobicContact CE2-CG1 4.5Å; F39-V519 HydrophobicContact CZ-CG1 4.19Å; V515-V519 HydrophobicContact CG1-CG2 4.48Å; V515-V519 WeakPolarHBondContact O-CG2 3.41Å; V515-V519 PolarHBondContact O-N 3.03Å; H517-V519 VanDerWaalsContact C-N 3.34Å; H517-V519 PolarHBondContact O-N 2.93Å; V519-S522 PolarHBondContact O-N 3Å; V519-S523 VanDerWaalsContact O-CB 3.32Å; V519-S523 WeakPolarHBondContact O-CB 3.26Å; V519-S523 PolarHBondContact O-N 2.84Å
520W95.2Very high91.6Very high145 Ų14546.9 Ų46.955%0.54925%0.248SC..Hα-helixtrans-62.7-48.3178.9179.790.7000112.4F365 S516 H517 S523 N524F365-W520 AromaticContact CE2-CZ3 4Å; F365-W520 HydrophobicContact CE2-CZ3 4Å; S516-W520 WeakPolarHBondContact O-CB 3.48Å; S516-W520 PolarHBondContact O-N 2.82Å; H517-W520 PolarHBondContact O-N 3.09Å; H517-W520 VanDerWaalsContact O-N 3.16Å; W520-S523 PolarHBondContact O-N 2.83Å; W520-N524 PolarHBondContact NE1-ND2 3Å; W520-N524 VanDerWaalsContact NE1-ND2 3.12Å; W520-N524 WeakPolarHBondContact O-CB 3.43Å; W520-N524 PolarHBondContact O-N 3.23Å
521V95.3Very high91.3Very high0 Ų044.4 Ų44.40%024%0.235CC..Hα-helixtrans-61.7-47.3176.6172.10000110.8P158 F365 H517 S523 N524 A525 Y526P158-V521 HydrophobicContact CB-CB 4.33Å; P158-V521 HydrophobicContact CB-CG1 3.76Å; P158-V521 HydrophobicContact CG-CB 4.27Å; P158-V521 HydrophobicContact CG-CG1 4.23Å; F365-V521 HydrophobicContact CD1-CG1 4.06Å; F365-V521 HydrophobicContact CD2-CG2 4.34Å; F365-V521 HydrophobicContact CE1-CG1 3.45Å; F365-V521 VanDerWaalsContact CE1-CG1 3.45Å; F365-V521 HydrophobicContact CE1-CG2 4.3Å; F365-V521 HydrophobicContact CE2-CG2 3.98Å; F365-V521 HydrophobicContact CZ-CB 4.38Å; F365-V521 HydrophobicContact CZ-CG1 3.72Å; F365-V521 HydrophobicContact CZ-CG2 3.96Å; H517-V521 VanDerWaalsContact CE1-CG2 3.46Å; H517-V521 WeakPolarHBondContact CE1-CG2 3.32Å; H517-V521 WeakPolarHBondContact O-CG2 3.41Å; H517-V521 PolarHBondContact O-N 2.85Å; V521-S523 VanDerWaalsContact C-N 3.28Å; V521-S523 PolarHBondContact O-N 3.22Å; V521-N524 PolarHBondContact O-N 3.34Å; V521-A525 HydrophobicContact CG1-CB 4.44Å; V521-A525 PolarHBondContact O-N 3.02Å; V521-Y526 HydrophobicContact CG1-CD2 3.81Å; V521-Y526 HydrophobicContact CG1-CE2 3.44Å; V521-Y526 VanDerWaalsContact CG1-CE2 3.44Å
522S92.8Very high90.9Very high1 Ų143.4 Ų43.41%0.00723%0.23CC..Iπ-helixtrans-60.5-36.5179-174.50000112.8I36 C518 V519 S527I36-S522 PolarHBondContact O-OG 2.98Å; C518-S522 WeakPolarHBondContact O-CB 3.37Å; C518-S522 PolarHBondContact O-N 3.46Å; V519-S522 PolarHBondContact O-N 3Å; S522-S527 VanDerWaalsContact O-CB 3.29Å; S522-S527 WeakPolarHBondContact O-CB 3.39Å; S522-S527 PolarHBondContact O-N 3.11Å; S522-S527 PolarHBondContact O-OG 3.4Å
523S90.9Very high90.5Very high15 Ų1537.9 Ų37.911%0.10521%0.211CC..Iπ-helixtrans-85.4-23.1-178.2-141.60000113.1F39 R43 V519 W520 V521 S527F39-S523 VanDerWaalsContact CD1-OG 3.22Å; F39-S523 WeakPolarHBondContact CD1-OG 3.17Å; F39-S523 VanDerWaalsContact CE1-OG 3.26Å; F39-S523 WeakPolarHBondContact CE1-OG 3.29Å; F39-S523 WeakPolarHBondContact CG-OG 3.35Å; R43-S523 PolarHBondContact NH1-O 2.58Å; R43-S523 PolarHBondContact NH2-O 3.42Å; R43-S523 PolarHBondContact NH2-OG 3.34Å; V519-S523 VanDerWaalsContact O-CB 3.32Å; V519-S523 WeakPolarHBondContact O-CB 3.26Å; V519-S523 PolarHBondContact O-N 2.84Å; W520-S523 PolarHBondContact O-N 2.83Å; V521-S523 VanDerWaalsContact C-N 3.28Å; V521-S523 PolarHBondContact O-N 3.22Å; S523-S527 PolarHBondContact O-OG 2.91Å
524N89.8Confident90Very high96 Ų9636.1 Ų36.151%0.51321%0.206SC..Iπ-helixtrans-113.1-21.5-172.3-65.6-25.8000115W520 V521W520-N524 PolarHBondContact NE1-ND2 3Å; W520-N524 VanDerWaalsContact NE1-ND2 3.12Å; W520-N524 WeakPolarHBondContact O-CB 3.43Å; W520-N524 PolarHBondContact O-N 3.23Å; V521-N524 PolarHBondContact O-N 3.34Å
525A89.5Confident89.4Confident44 Ų4438.9 Ų38.936%0.36423%0.226SC..Iπ-helixtrans-108.9-57.2177.500000112.7F365 V521F365-A525 HydrophobicContact CE1-CB 3.96Å; F365-A525 HydrophobicContact CZ-CB 3.75Å; V521-A525 HydrophobicContact CG1-CB 4.44Å; V521-A525 PolarHBondContact O-N 3.02Å
526Y89.6Confident88.9Confident56 Ų5642.1 Ų42.122%0.2223%0.231CC..Iπ-helixtrans-86.7-16.1-169.7-58.5-58.9000115.1P158 F365 D366 V521 S528P158-Y526 HydrophobicContact CB-CE2 3.92Å; F365-Y526 HydrophobicContact CE1-CE2 4.33Å; D366-Y526 PolarHBondContact OD1-OH 3.14Å; V521-Y526 HydrophobicContact CG1-CD2 3.81Å; V521-Y526 HydrophobicContact CG1-CE2 3.44Å; V521-Y526 VanDerWaalsContact CG1-CE2 3.44Å; Y526-S528 VanDerWaalsContact C-N 3.31Å; Y526-S528 PolarHBondContact O-N 3.11Å
527S86.3Confident88.2Confident4 Ų440.9 Ų40.93%0.02823%0.227CC..SBendtrans-91.750178.973.70000113.5F39 S522 S523F39-S527 VanDerWaalsContact CB-CB 3.42Å; S522-S527 VanDerWaalsContact O-CB 3.29Å; S522-S527 WeakPolarHBondContact O-CB 3.39Å; S522-S527 PolarHBondContact O-N 3.11Å; S522-S527 PolarHBondContact O-OG 3.4Å; S523-S527 PolarHBondContact O-OG 2.91Å
528S82.3Confident87.7Confident71 Ų7149.8 Ų49.850%0.49727%0.265SS..  trans-123127.4176.4-170.90000110.6Y526Y526-S528 VanDerWaalsContact C-N 3.31Å; Y526-S528 PolarHBondContact O-N 3.11Å
529P83.3Confident87.3Confident3 Ų356.6 Ų56.62%0.01930%0.301CS..  trans-8412817832-32.7000111.8F44 I531 V532F44-P529 HydrophobicContact CB-CG 4.48Å; F44-P529 HydrophobicContact CD1-CG 3.72Å; F44-P529 HydrophobicContact CD2-CG 3.87Å; F44-P529 HydrophobicContact CE1-CG 3.71Å; F44-P529 HydrophobicContact CE2-CG 3.91Å; F44-P529 HydrophobicContact CG-CG 3.79Å; F44-P529 VanDerWaalsContact CZ-CD 3.49Å; F44-P529 HydrophobicContact CZ-CG 3.82Å; P529-I531 PolarHBondContact O-N 3.45Å; P529-V532 HydrophobicContact CG-CB 4.17Å; P529-V532 PolarHBondContact O-N 3.48Å
530S82.6Confident86.8Confident34 Ų3456.3 Ų56.324%0.23831%0.31CS..SBendtrans-72.8-5.9179.3-64.20000115.6E50E50-S530 WeakPolarHBondContact OE1-CB 3.42Å; E50-S530 PolarHBondContact OE1-OG 2.94Å; E50-S530 PolarHBondContact OE2-OG 3.21Å
531I85.3Confident86.5Confident1 Ų152.2 Ų52.21%0.00530%0.301CS..SBendtrans-89.4-36.8176.8-61.7155.3000111.7V47 I48 W54 P529 F548 R549 M578V47-I531 HydrophobicContact CG1-CD1 4.31Å; I48-I531 WeakPolarHBondContact O-CD1 3.38Å; W54-I531 HydrophobicContact CZ2-CD1 3.77Å; P529-I531 PolarHBondContact O-N 3.45Å; I531-F548 HydrophobicContact CG2-CB 4.4Å; I531-F548 WeakPolarHBondContact O-CD2 3.4Å; I531-R549 HydrophobicContact CG2-CG 3.64Å; I531-M578 HydrophobicContact CB-CE 4.46Å; I531-M578 HydrophobicContact CD1-CE 3.52Å; I531-M578 HydrophobicContact CG1-CE 3.8Å; I531-M578 HydrophobicContact CG2-CE 3.79Å
532V85.4Confident85.9Confident10 Ų1055.6 Ų55.66%0.06132%0.316CS..SBendtrans-119.690.7-165.7-179.70000107.9F44 P529 A534 I544F44-V532 HydrophobicContact CD1-CB 4.49Å; F44-V532 HydrophobicContact CD1-CG1 4.05Å; F44-V532 HydrophobicContact CE1-CG1 4.28Å; P529-V532 HydrophobicContact CG-CB 4.17Å; P529-V532 PolarHBondContact O-N 3.48Å; V532-A534 PolarHBondContact O-N 3.27Å; V532-I544 HydrophobicContact CG1-CG2 3.38Å
533L85.2Confident85.5Confident33 Ų3361.8 Ų61.817%0.17334%0.34CS..EExtended strand (participates in β ladder)trans-75122.9-172-52.2-178.2000110.3L545 F548 Y631 L730L533-L545 HydrophobicContact CB-CB 4.25Å; L533-L545 PolarHBondContact N-O 2.83Å; L533-L545 PolarHBondContact O-N 3Å; L533-F548 HydrophobicContact CD1-CE2 4.29Å; L533-F548 HydrophobicContact CG-CE2 4.38Å; L533-Y631 HydrophobicContact CD1-CD2 3.56Å; L533-Y631 HydrophobicContact CD1-CE2 3.67Å; L533-Y631 HydrophobicContact CD1-CG 4.31Å; L533-Y631 HydrophobicContact CD2-CE2 4.1Å; L533-L730 HydrophobicContact CD1-CD1 3.74Å
534A84.4Confident85.4Confident34 Ų3465.4 Ų65.428%0.28136%0.357SS..EExtended strand (participates in β ladder)trans-90.7120.9174.200000110.6F44 V532 Y536 K542F44-A534 HydrophobicContact CE1-CB 4.13Å; F44-A534 HydrophobicContact CZ-CB 3.98Å; V532-A534 PolarHBondContact O-N 3.27Å; A534-Y536 HydrophobicContact CB-CE2 4.09Å; A534-K542 HydrophobicContact CB-CG 4.43Å
535S82.4Confident85.4Confident60 Ų6062 Ų6242%0.4234%0.339SS..EExtended strand (participates in β ladder)trans-108.3143.6168.2-174.60000109.5Y543S535-Y543 PolarHBondContact N-O 3.32Å; S535-Y543 PolarHBondContact O-N 3.35Å; S535-Y543 VanDerWaalsContact O-O 3.1Å
536Y83.2Confident85.5Confident138 Ų13862.1 Ų62.154%0.54133%0.333SS..EExtended strand (participates in β ladder)trans-113.5121.3-178.9-69.5-91.6000109.9A534 K542A534-Y536 HydrophobicContact CB-CE2 4.09Å; Y536-K542 HydrophobicContact CD1-CB 4.32Å; Y536-K542 HydrophobicContact CE1-CB 4Å; Y536-K542 HydrophobicContact CE1-CG 4.13Å
537G81.1Confident85.7Confident22 Ų2259.6 Ų59.623%0.22732%0.324CS..  trans-65.3162.3170.700000111.6D539 G540 T541G537-D539 PolarHBondContact O-N 2.91Å; G537-D539 VanDerWaalsContact O-N 3.13Å; G537-G540 PolarHBondContact O-N 3.3Å; G537-T541 PolarHBondContact N-O 3.04Å
538K85.4Confident86.1Confident219 Ų21959.4 Ų59.495%0.95232%0.322SS*.THydrogen-bonded Turntrans-57.8-27.6176.6-66.9-176.6178.8179.70112.7G540K538-G540 PolarHBondContact O-N 3.49Å
539D87.6Confident86.6Confident144 Ų14458.7 Ų58.777%0.7731%0.309SS*.THydrogen-bonded Turntrans-84.97-179.6-40.7-43000112.5G537 T541G537-D539 PolarHBondContact O-N 2.91Å; G537-D539 VanDerWaalsContact O-N 3.13Å; D539-T541 PolarHBondContact O-N 2.77Å
540G86.1Confident87.2Confident53 Ų5362.3 Ų62.355%0.54633%0.325SS..SBendtrans79.4-1.1-175.400000114.7G537 K538 K542G537-G540 PolarHBondContact O-N 3.3Å; K538-G540 PolarHBondContact O-N 3.49Å; G540-K542 PolarHBondContact O-N 2.74Å
541T87.1Confident87.9Confident58 Ų5860.7 Ų60.736%0.35631%0.314SS..  trans-63.3121178.742.20000111.7G537 D539 Y543G537-T541 PolarHBondContact N-O 3.04Å; D539-T541 PolarHBondContact O-N 2.77Å; T541-Y543 WeakPolarHBondContact O-CD2 3.47Å; T541-Y543 PolarHBondContact O-N 2.97Å; T541-Y543 VanDerWaalsContact OG1-CE2 3.31Å; T541-Y543 WeakPolarHBondContact OG1-CE2 3.34Å
542K83.3Confident88.4Confident71 Ų7160.7 Ų60.731%0.30931%0.314SS..EExtended strand (participates in β ladder)trans-79.3108.1176-175.6-172.6178.4-172.40109.8R43 F44 A534 Y536 G540 I544R43-K542 PolarHBondContact O-NZ 3.23Å; F44-K542 VanDerWaalsContact CZ-NZ 3.32Å; A534-K542 HydrophobicContact CB-CG 4.43Å; Y536-K542 HydrophobicContact CD1-CB 4.32Å; Y536-K542 HydrophobicContact CE1-CB 4Å; Y536-K542 HydrophobicContact CE1-CG 4.13Å; G540-K542 PolarHBondContact O-N 2.74Å; K542-I544 HydrophobicContact CD-CG1 4.45Å; K542-I544 HydrophobicContact CG-CG1 4.38Å
543Y85.6Confident88.9Confident132 Ų13265.1 Ų65.152%0.51833%0.333SS..EExtended strand (participates in β ladder)trans-88.7136.5166-63.4-80.9000109.5S535 T541S535-Y543 PolarHBondContact N-O 3.32Å; S535-Y543 PolarHBondContact O-N 3.35Å; S535-Y543 VanDerWaalsContact O-O 3.1Å; T541-Y543 WeakPolarHBondContact O-CD2 3.47Å; T541-Y543 PolarHBondContact O-N 2.97Å; T541-Y543 VanDerWaalsContact OG1-CE2 3.31Å; T541-Y543 WeakPolarHBondContact OG1-CE2 3.34Å
544I87.4Confident89.5Confident90 Ų9065.9 Ų65.946%0.46233%0.333SS..EExtended strand (participates in β ladder)trans-108.5122.4179.7-66.1177.2000107.8V532 K542V532-I544 HydrophobicContact CG1-CG2 3.38Å; K542-I544 HydrophobicContact CD-CG1 4.45Å; K542-I544 HydrophobicContact CG-CG1 4.38Å
545L89.6Confident90.1Very high24 Ų2464.3 Ų64.313%0.12632%0.32CS..EExtended strand (participates in β ladder)trans-103124.1173.5-49.4176.2000107.5L533 I629L533-L545 HydrophobicContact CB-CB 4.25Å; L533-L545 PolarHBondContact N-O 2.83Å; L533-L545 PolarHBondContact O-N 3Å; L545-I629 HydrophobicContact CD1-CD1 3.94Å; L545-I629 HydrophobicContact CD1-CG2 4.38Å
546D92.3Very high90.7Very high48 Ų4867.2 Ų67.226%0.25732%0.322SS..  trans-13322.9-168-157.513.5000112F548 R549 E550D546-F548 PolarHBondContact O-N 2.84Å; D546-F548 VanDerWaalsContact O-N 3.13Å; D546-R549 VanDerWaalsContact CG-NE 3.26Å; D546-R549 PolarHBondContact O-N 3.39Å; D546-R549 WeakPolarHBondContact OD1-CB 3.28Å; D546-R549 VanDerWaalsContact OD1-CG 3.27Å; D546-R549 WeakPolarHBondContact OD1-CG 3.39Å; D546-R549 IonicContact OD1-CZ 3.56Å; D546-R549 IonicContact OD1-NE 3.93Å; D546-R549 PolarHBondContact OD1-NE 3.2Å; D546-R549 IonicContact OD1-NH2 3.4Å; D546-R549 IonicContact OD2-CZ 3.41Å; D546-R549 VanDerWaalsContact OD2-CZ 3.23Å; D546-R549 IonicContact OD2-NE 2.81Å; D546-R549 PolarHBondContact OD2-NE 2.95Å; D546-R549 IonicContact OD2-NH2 2.76Å; D546-R549 PolarHBondContact OD2-NH2 3.06Å; D546-E550 PolarHBondContact O-N 3.06Å
547D94.4Very high91.3Very high2 Ų266.6 Ų66.61%0.01132%0.324CS..Hα-helixtrans-57.4-26.5-176.1-57.9-100.2000113.1A551 K727 H728 L730D547-A551 VanDerWaalsContact O-CB 3.27Å; D547-A551 WeakPolarHBondContact O-CB 3.44Å; D547-A551 PolarHBondContact O-N 3.28Å; D547-K727 PolarHBondContact OD1-N 3.36Å; D547-H728 VanDerWaalsContact CG-ND1 3.27Å; D547-H728 WeakPolarHBondContact OD1-CB 3.44Å; D547-H728 IonicContact OD1-CE1 3.63Å; D547-H728 IonicContact OD1-CG 3.99Å; D547-H728 PolarHBondContact OD1-N 2.88Å; D547-H728 IonicContact OD1-ND1 3.57Å; D547-H728 PolarHBondContact OD1-ND1 2.94Å; D547-H728 IonicContact OD2-CE1 2.77Å; D547-H728 IonicContact OD2-CG 2.68Å; D547-H728 IonicContact OD2-ND1 3.97Å; D547-H728 PolarHBondContact OD2-ND1 2.97Å; D547-L730 HydrophobicContact CB-CB 3.65Å; D547-L730 HydrophobicContact CB-CD1 4.17Å; D547-L730 HydrophobicContact CB-CG 4.38Å
548F93.9Very high92.1Very high1 Ų170.1 Ų70.10%0.00434%0.338CS..Hα-helixtrans-62.3-55.3170.6-74.1-86.3000111.7I531 L533 D546 E550 A551 Y552 I624 L730 V731I531-F548 HydrophobicContact CG2-CB 4.4Å; I531-F548 WeakPolarHBondContact O-CD2 3.4Å; L533-F548 HydrophobicContact CD1-CE2 4.29Å; L533-F548 HydrophobicContact CG-CE2 4.38Å; D546-F548 PolarHBondContact O-N 2.84Å; D546-F548 VanDerWaalsContact O-N 3.13Å; F548-E550 VanDerWaalsContact C-N 3.32Å; F548-E550 PolarHBondContact O-N 3.28Å; F548-A551 PolarHBondContact O-N 3.27Å; F548-Y552 HydrophobicContact CB-CD2 4.43Å; F548-Y552 HydrophobicContact CB-CE2 4.15Å; F548-Y552 HydrophobicContact CD1-CE2 4.06Å; F548-Y552 WeakPolarHBondContact O-CB 3.47Å; F548-Y552 WeakPolarHBondContact O-CD2 3.22Å; F548-Y552 VanDerWaalsContact O-CG 3.25Å; F548-Y552 PolarHBondContact O-N 3.33Å; F548-I624 HydrophobicContact CD1-CD1 4.36Å; F548-I624 HydrophobicContact CE1-CD1 3.48Å; F548-I624 VanDerWaalsContact CE1-CD1 3.48Å; F548-I624 HydrophobicContact CZ-CD1 4.08Å; F548-L730 HydrophobicContact CD2-CD1 4.28Å; F548-L730 HydrophobicContact CD2-CD2 3.97Å; F548-L730 HydrophobicContact CE1-CD2 4.18Å; F548-L730 HydrophobicContact CE2-CD1 3.93Å; F548-L730 HydrophobicContact CE2-CD2 3.53Å; F548-L730 HydrophobicContact CE2-CG 4.44Å; F548-L730 HydrophobicContact CG-CD2 4.46Å; F548-L730 HydrophobicContact CZ-CD2 3.66Å; F548-V731 HydrophobicContact CD1-CG2 4.3Å
549R93.5Very high92.6Very high56 Ų5660.3 Ų60.321%0.21130%0.296CS..Hα-helixtrans-67.1-37-179.9-62.8-163.8-66.4-175-0.5110.8E45 I531 D546 F553 M578E45-R549 IonicContact OE1-CZ 3.94Å; E45-R549 IonicContact OE1-NH1 2.65Å; E45-R549 PolarHBondContact OE1-NH1 3.44Å; E45-R549 IonicContact OE1-NH2 3.75Å; E45-R549 PolarHBondContact OE1-NH2 3.16Å; E45-R549 IonicContact OE2-CZ 3.2Å; E45-R549 IonicContact OE2-NH1 2.98Å; E45-R549 PolarHBondContact OE2-NH1 3.43Å; E45-R549 IonicContact OE2-NH2 3.56Å; I531-R549 HydrophobicContact CG2-CG 3.64Å; D546-R549 VanDerWaalsContact CG-NE 3.26Å; D546-R549 PolarHBondContact O-N 3.39Å; D546-R549 WeakPolarHBondContact OD1-CB 3.28Å; D546-R549 VanDerWaalsContact OD1-CG 3.27Å; D546-R549 WeakPolarHBondContact OD1-CG 3.39Å; D546-R549 IonicContact OD1-CZ 3.56Å; D546-R549 IonicContact OD1-NE 3.93Å; D546-R549 PolarHBondContact OD1-NE 3.2Å; D546-R549 IonicContact OD1-NH2 3.4Å; D546-R549 IonicContact OD2-CZ 3.41Å; D546-R549 VanDerWaalsContact OD2-CZ 3.23Å; D546-R549 IonicContact OD2-NE 2.81Å; D546-R549 PolarHBondContact OD2-NE 2.95Å; D546-R549 IonicContact OD2-NH2 2.76Å; D546-R549 PolarHBondContact OD2-NH2 3.06Å; R549-F553 WeakPolarHBondContact O-CB 3.48Å; R549-F553 PolarHBondContact O-N 3.33Å; R549-M578 HydrophobicContact CG-SD 4.12Å
550E96Very high93Very high79 Ų7960.2 Ų60.237%0.36929%0.289SS..Hα-helixtrans-54.7-54.7172.4-171.5-172.6-15800111.6D546 F548 F553 W554 F724 S726 K727D546-E550 PolarHBondContact O-N 3.06Å; F548-E550 VanDerWaalsContact C-N 3.32Å; F548-E550 PolarHBondContact O-N 3.28Å; E550-F553 PolarHBondContact O-N 3.12Å; E550-W554 WeakPolarHBondContact O-CB 3.29Å; E550-W554 PolarHBondContact O-N 2.94Å; E550-F724 HydrophobicContact CG-CE1 4.47Å; E550-F724 HydrophobicContact CG-CZ 3.93Å; E550-S726 WeakPolarHBondContact OE2-CB 3.34Å; E550-K727 PolarHBondContact OE2-N 3.35Å
551A96.5Very high93.2Very high0 Ų065.9 Ų65.90%030%0.301CS..Hα-helixtrans-70.2-41.1-176.300000113.4D547 F548 W554 L555 F724 V731 I733D547-A551 VanDerWaalsContact O-CB 3.27Å; D547-A551 WeakPolarHBondContact O-CB 3.44Å; D547-A551 PolarHBondContact O-N 3.28Å; F548-A551 PolarHBondContact O-N 3.27Å; A551-W554 PolarHBondContact O-N 3.31Å; A551-L555 WeakPolarHBondContact O-CB 3.46Å; A551-L555 PolarHBondContact O-N 3.32Å; A551-F724 HydrophobicContact CB-CD1 4.22Å; A551-F724 HydrophobicContact CB-CE1 3.91Å; A551-V731 HydrophobicContact CB-CB 3.62Å; A551-V731 HydrophobicContact CB-CG1 3.57Å; A551-V731 HydrophobicContact CB-CG2 4.15Å; A551-I733 HydrophobicContact CB-CD1 4.26Å
552Y96Very high93.6Very high1 Ų167.8 Ų67.80%0.00431%0.309CS..Hα-helixtrans-67.7-34.9176-61.1-38.7000111.9F548 L555 W556 Q574 I575 M578 G579 L622F548-Y552 HydrophobicContact CB-CD2 4.43Å; F548-Y552 HydrophobicContact CB-CE2 4.15Å; F548-Y552 HydrophobicContact CD1-CE2 4.06Å; F548-Y552 WeakPolarHBondContact O-CB 3.47Å; F548-Y552 WeakPolarHBondContact O-CD2 3.22Å; F548-Y552 VanDerWaalsContact O-CG 3.25Å; F548-Y552 PolarHBondContact O-N 3.33Å; Y552-L555 WeakPolarHBondContact O-CB 3.38Å; Y552-L555 PolarHBondContact O-N 3.49Å; Y552-W556 PolarHBondContact O-N 2.95Å; Y552-Q574 HydrophobicContact CE2-CB 3.87Å; Y552-Q574 PolarHBondContact OH-OE1 3.2Å; Y552-Q574 VanDerWaalsContact OH-OE1 3.13Å; Y552-I575 HydrophobicContact CD1-CG1 4.1Å; Y552-I575 HydrophobicContact CE1-CD1 4.49Å; Y552-I575 HydrophobicContact CE1-CG1 3.53Å; Y552-M578 HydrophobicContact CD2-CB 4.08Å; Y552-M578 HydrophobicContact CD2-CG 4.39Å; Y552-M578 HydrophobicContact CD2-SD 3.63Å; Y552-M578 HydrophobicContact CE2-SD 4.29Å; Y552-M578 HydrophobicContact CG-CB 4.25Å; Y552-G579 WeakPolarHBondContact O-CA 3.34Å; Y552-L622 HydrophobicContact CD1-CD1 4.23Å; Y552-L622 HydrophobicContact CE1-CD1 3.92Å
553F96.2Very high94.1Very high102 Ų10264.4 Ų64.445%0.44730%0.295SS..Hα-helixtrans-71.5-38.9175.5-168.2-98.6000112.1R549 E550 L555 W556 Q557R549-F553 WeakPolarHBondContact O-CB 3.48Å; R549-F553 PolarHBondContact O-N 3.33Å; E550-F553 PolarHBondContact O-N 3.12Å; F553-L555 VanDerWaalsContact C-N 3.29Å; F553-L555 PolarHBondContact O-N 3.07Å; F553-W556 AromaticContact CD2-CE3 3.85Å; F553-W556 HydrophobicContact CD2-CE3 3.85Å; F553-W556 HydrophobicContact CD2-CZ3 4.18Å; F553-W556 HydrophobicContact CE2-CE3 4.03Å; F553-W556 HydrophobicContact CE2-CZ3 4.01Å; F553-W556 PolarHBondContact O-N 3.43Å; F553-Q557 HydrophobicContact CD1-CG 4.41Å; F553-Q557 HydrophobicContact CE1-CG 4.11Å; F553-Q557 HydrophobicContact CZ-CG 4.25Å; F553-Q557 PolarHBondContact O-N 3.35Å
554W97.6Very high94.7Very high50 Ų5060.6 Ų60.619%0.18928%0.279CS..Hα-helixtrans-56.7-45.6169.2179.297.7000111.1E550 A551 W556 Q557 N558 T559 Y620 A723 F724 I733E550-W554 WeakPolarHBondContact O-CB 3.29Å; E550-W554 PolarHBondContact O-N 2.94Å; A551-W554 PolarHBondContact O-N 3.31Å; W554-W556 VanDerWaalsContact C-N 3.35Å; W554-W556 PolarHBondContact O-N 3.35Å; W554-Q557 PolarHBondContact O-N 3.33Å; W554-N558 HydrophobicContact CD2-CB 4.26Å; W554-N558 HydrophobicContact CZ2-CB 4.21Å; W554-N558 PolarHBondContact NE1-ND2 2.87Å; W554-N558 WeakPolarHBondContact O-CB 3.46Å; W554-N558 PolarHBondContact O-N 2.7Å; W554-N558 PolarHBondContact O-ND2 2.82Å; W554-T559 HydrophobicContact CH2-CG2 4.23Å; W554-T559 HydrophobicContact CZ3-CG2 3.88Å; W554-Y620 HydrophobicContact CH2-CE1 4.26Å; W554-A723 HydrophobicContact CH2-CB 4.01Å; W554-F724 HydrophobicContact CB-CD1 4.39Å; W554-F724 HydrophobicContact CB-CD2 4.42Å; W554-F724 HydrophobicContact CB-CE1 4.41Å; W554-F724 HydrophobicContact CB-CE2 4.43Å; W554-F724 HydrophobicContact CB-CG 4.4Å; W554-F724 HydrophobicContact CB-CZ 4.43Å; W554-F724 AromaticContact CD1-CD2 3.37Å; W554-F724 AromaticContact CD1-CE2 3.75Å; W554-F724 AromaticContact CD1-CG 3.91Å; W554-F724 HydrophobicContact CD2-CB 3.67Å; W554-F724 HydrophobicContact CD2-CD1 4.38Å; W554-F724 HydrophobicContact CD2-CD2 4.03Å; W554-F724 AromaticContact CD2-CG 3.76Å; W554-F724 HydrophobicContact CD2-CG 3.76Å; W554-F724 AromaticContact CE2-CG 4Å; W554-F724 HydrophobicContact CE3-CB 3.87Å; W554-F724 HydrophobicContact CE3-CG 4.26Å; W554-F724 HydrophobicContact CG-CB 4.24Å; W554-F724 HydrophobicContact CG-CD1 4.24Å; W554-F724 AromaticContact CG-CD2 3.71Å; W554-F724 HydrophobicContact CG-CD2 3.71Å; W554-F724 HydrophobicContact CG-CE2 4.11Å; W554-F724 AromaticContact CG-CG 3.78Å; W554-F724 HydrophobicContact CG-CG 3.78Å; W554-F724 HydrophobicContact CH2-CB 4.1Å; W554-F724 HydrophobicContact CZ2-CB 3.87Å; W554-F724 HydrophobicContact CZ3-CB 4.09Å; W554-F724 AromaticContact NE1-CD2 3.57Å; W554-I733 HydrophobicContact CE3-CD1 3.76Å; W554-I733 HydrophobicContact CZ3-CB 4.49Å; W554-I733 HydrophobicContact CZ3-CD1 4.07Å; W554-I733 HydrophobicContact CZ3-CG2 4.08Å
555L96.2Very high95.1Very high0 Ų056.3 Ų56.30%026%0.257CS..Hα-helixtrans-62.1-41.3178.9-176.674000111.8A551 Y552 F553 T559 V565 I575 R581 I733A551-L555 WeakPolarHBondContact O-CB 3.46Å; A551-L555 PolarHBondContact O-N 3.32Å; Y552-L555 WeakPolarHBondContact O-CB 3.38Å; Y552-L555 PolarHBondContact O-N 3.49Å; F553-L555 VanDerWaalsContact C-N 3.29Å; F553-L555 PolarHBondContact O-N 3.07Å; L555-T559 HydrophobicContact CD1-CG2 3.92Å; L555-T559 PolarHBondContact O-OG1 2.96Å; L555-V565 HydrophobicContact CD1-CG2 3.9Å; L555-V565 HydrophobicContact CD2-CG2 4.1Å; L555-V565 HydrophobicContact CG-CG2 4.48Å; L555-I575 HydrophobicContact CD2-CG2 3.97Å; L555-R581 HydrophobicContact CD2-CB 4.5Å; L555-R581 HydrophobicContact CD2-CG 4.47Å; L555-R581 HydrophobicContact CG-CG 4.12Å; L555-I733 HydrophobicContact CB-CD1 4.35Å; L555-I733 HydrophobicContact CD1-CD1 4.47Å
556W95.8Very high95.4Very high122 Ų12255.2 Ų55.246%0.46225%0.251SS..Hα-helixtrans-66.2-38.7177.6-177.519.4000113Y552 F553 W554 G579 N580 R581Y552-W556 PolarHBondContact O-N 2.95Å; F553-W556 AromaticContact CD2-CE3 3.85Å; F553-W556 HydrophobicContact CD2-CE3 3.85Å; F553-W556 HydrophobicContact CD2-CZ3 4.18Å; F553-W556 HydrophobicContact CE2-CE3 4.03Å; F553-W556 HydrophobicContact CE2-CZ3 4.01Å; F553-W556 PolarHBondContact O-N 3.43Å; W554-W556 VanDerWaalsContact C-N 3.35Å; W554-W556 PolarHBondContact O-N 3.35Å; W556-G579 VanDerWaalsContact CA-O 3.27Å; W556-G579 WeakPolarHBondContact CA-O 3.13Å; W556-G579 VanDerWaalsContact CB-O 3.29Å; W556-G579 WeakPolarHBondContact CB-O 3.5Å; W556-N580 HydrophobicContact CG-CB 4.46Å; W556-R581 PolarHBondContact O-NH2 2.65Å
557Q96.5Very high95.6Very high124 Ų12453 Ų5358%0.57924%0.239SC*.Hα-helixtrans-92-34.7-175.4-64.9-158.3-27.900114.8F553 W554F553-Q557 HydrophobicContact CD1-CG 4.41Å; F553-Q557 HydrophobicContact CE1-CG 4.11Å; F553-Q557 HydrophobicContact CZ-CG 4.25Å; F553-Q557 PolarHBondContact O-N 3.35Å; W554-Q557 PolarHBondContact O-N 3.33Å
558N97Very high95.7Very high97 Ų9753.1 Ų53.152%0.51924%0.24SC..Hα-helixtrans-104.40.5-167-59.9-51.6000114.9W554W554-N558 HydrophobicContact CD2-CB 4.26Å; W554-N558 HydrophobicContact CZ2-CB 4.21Å; W554-N558 PolarHBondContact NE1-ND2 2.87Å; W554-N558 WeakPolarHBondContact O-CB 3.46Å; W554-N558 PolarHBondContact O-N 2.7Å; W554-N558 PolarHBondContact O-ND2 2.82Å
559T96Very high95.7Very high13 Ų1354 Ų548%0.0824%0.243CC..SBendtrans-113.3161.1175.973.20000111.9W554 L555 R581 Y620W554-T559 HydrophobicContact CH2-CG2 4.23Å; W554-T559 HydrophobicContact CZ3-CG2 3.88Å; L555-T559 HydrophobicContact CD1-CG2 3.92Å; L555-T559 PolarHBondContact O-OG1 2.96Å; T559-R581 PolarHBondContact O-NH2 3.02Å; T559-R581 PolarHBondContact OG1-NE 3.06Å; T559-Y620 HydrophobicContact CG2-CD2 4.25Å; T559-Y620 HydrophobicContact CG2-CE1 4.11Å; T559-Y620 HydrophobicContact CG2-CE2 3.63Å
560K95Very high95.6Very high142 Ų14252.6 Ų52.662%0.61724%0.24SC*.  trans-61.8145.7173.5-57.5174.7-175.1168.80110.4N562 A563 R581K560-N562 WeakPolarHBondContact CB-OD1 3.24Å; K560-N562 PolarHBondContact O-N 3.23Å; K560-A563 HydrophobicContact CB-CB 4.45Å; K560-A563 WeakPolarHBondContact O-CB 3.26Å; K560-A563 PolarHBondContact O-N 3.38Å; K560-R581 WeakPolarHBondContact O-CD 3.45Å; K560-R581 PolarHBondContact O-NE 2.67Å
561E92.4Very high95.5Very high171 Ų17149 Ų4980%0.79922%0.223SC*.THydrogen-bonded Turntrans-55.5-36.6179.1-60.9-176.8149.300113A563 R581E561-A563 VanDerWaalsContact C-N 3.33Å; E561-A563 PolarHBondContact O-N 3.32Å; E561-R581 WeakPolarHBondContact O-CD 3.16Å
562N93.6Very high95.4Very high98 Ų9849 Ų4952%0.52422%0.223SC..THydrogen-bonded Turntrans-87.811.2178.672.6-29.6000114.5K560 R564K560-N562 WeakPolarHBondContact CB-OD1 3.24Å; K560-N562 PolarHBondContact O-N 3.23Å; N562-R564 WeakPolarHBondContact O-CD 3.33Å
563A95.6Very high95.3Very high1 Ų150 Ų501%0.00823%0.227CC..  trans-67.7135.4-179.900000111.8K560 E561 T582 D619 Y620K560-A563 HydrophobicContact CB-CB 4.45Å; K560-A563 WeakPolarHBondContact O-CB 3.26Å; K560-A563 PolarHBondContact O-N 3.38Å; E561-A563 VanDerWaalsContact C-N 3.33Å; E561-A563 PolarHBondContact O-N 3.32Å; A563-T582 PolarHBondContact O-N 3.47Å; A563-D619 WeakPolarHBondContact CA-OD2 3.38Å; A563-D619 HydrophobicContact CB-CB 4.29Å; A563-Y620 HydrophobicContact CB-CD2 4.07Å; A563-Y620 HydrophobicContact CB-CE2 3.95Å
564R96.3Very high95.2Very high52 Ų5245.1 Ų45.120%0.19621%0.205CC..EExtended strand (participates in β ladder)trans-100.6134.4179.7-51.274.4158-166.1-10.8110.4Y81 N562 T582 L584 D617 D619 Y620Y81-R564 HydrophobicContact CD1-CG 3.94Å; Y81-R564 HydrophobicContact CE1-CG 4.06Å; Y81-R564 HydrophobicContact CG-CG 4.24Å; N562-R564 WeakPolarHBondContact O-CD 3.33Å; R564-T582 WeakPolarHBondContact CA-O 3.4Å; R564-T582 HydrophobicContact CB-CG2 4.47Å; R564-T582 HydrophobicContact CG-CG2 3.96Å; R564-L584 HydrophobicContact CB-CD1 3.84Å; R564-D617 VanDerWaalsContact CD-O 3.3Å; R564-D617 WeakPolarHBondContact CD-O 3.34Å; R564-D619 WeakPolarHBondContact CD-OD2 3.47Å; R564-D619 IonicContact CZ-OD2 3.77Å; R564-D619 PolarHBondContact N-OD2 3.17Å; R564-D619 IonicContact NE-OD2 3.87Å; R564-D619 IonicContact NH1-OD1 3.86Å; R564-D619 IonicContact NH1-OD2 2.86Å; R564-D619 PolarHBondContact NH1-OD2 2.89Å; R564-D619 PolarHBondContact O-N 3.34Å; R564-D619 VanDerWaalsContact O-N 3.14Å; R564-Y620 PolarHBondContact O-N 2.98Å
565V96.8Very high95.1Very high0 Ų042.7 Ų42.70%020%0.196CC..EExtended strand (participates in β ladder)trans-117.3117.2-175.5-173.60000109.4L555 I575 R581 T582 Y620 L622L555-V565 HydrophobicContact CD1-CG2 3.9Å; L555-V565 HydrophobicContact CD2-CG2 4.1Å; L555-V565 HydrophobicContact CG-CG2 4.48Å; V565-I575 HydrophobicContact CB-CG2 4.36Å; V565-I575 HydrophobicContact CG1-CD1 4.42Å; V565-I575 HydrophobicContact CG1-CG2 4.46Å; V565-R581 HydrophobicContact CG2-CB 4.1Å; V565-T582 PolarHBondContact N-O 3.18Å; V565-Y620 WeakPolarHBondContact CA-O 3.49Å; V565-L622 HydrophobicContact CG1-CB 3.95Å
566M96.7Very high95Very high0 Ų043 Ų430%020%0.199CC..EExtended strand (participates in β ladder)trans-86.1128.8168.2-171175.67400109.1L584 V598 A601 M602 I613 V618 Y620 V621 L622M566-L584 HydrophobicContact CB-CD2 4.46Å; M566-V598 HydrophobicContact CG-CG1 3.9Å; M566-V598 HydrophobicContact CG-CG2 4.3Å; M566-V598 HydrophobicContact SD-CG1 4.22Å; M566-V598 HydrophobicContact SD-CG2 4.42Å; M566-A601 HydrophobicContact CE-CB 4.12Å; M566-A601 HydrophobicContact SD-CB 4.07Å; M566-M602 HydrophobicContact CE-CE 4.01Å; M566-M602 HydrophobicContact CE-SD 4.11Å; M566-M602 HydrophobicContact CG-CE 4.42Å; M566-I613 HydrophobicContact CE-CD1 3.92Å; M566-I613 HydrophobicContact CE-CG1 3.75Å; M566-I613 HydrophobicContact SD-CG1 4.23Å; M566-V618 HydrophobicContact CB-CG1 3.76Å; M566-V618 HydrophobicContact CB-CG2 4.07Å; M566-V618 HydrophobicContact SD-CG2 4.49Å; M566-Y620 PolarHBondContact N-O 2.86Å; M566-V621 HydrophobicContact CE-CG1 3.82Å; M566-V621 HydrophobicContact CE-CG2 3.96Å; M566-V621 CarbonylContact O-C 3.59Å; M566-V621 WeakPolarHBondContact O-CA 3.37Å; M566-L622 PolarHBondContact O-N 3.21Å
567S95.8Very high94.8Very high1 Ų138.4 Ų38.41%0.00719%0.189CC..  trans-150.8174.8176.766.20000109I575 V585S567-I575 WeakPolarHBondContact OG-CD1 3.44Å; S567-V585 VanDerWaalsContact O-CG2 3.23Å; S567-V585 WeakPolarHBondContact O-CG2 3.23Å
568W95.9Very high94.5Very high6 Ų633.8 Ų33.82%0.02317%0.168CC..  trans-72.2154.7167.8-164.7-119.3000111.7D570 Y571 I595 M642 I645W568-D570 VanDerWaalsContact C-N 3.33Å; W568-D570 PolarHBondContact NE1-OD1 2.95Å; W568-D570 VanDerWaalsContact NE1-OD1 3.1Å; W568-D570 PolarHBondContact O-N 3.23Å; W568-Y571 HydrophobicContact CB-CD2 4.23Å; W568-Y571 HydrophobicContact CB-CE2 3.96Å; W568-Y571 PolarHBondContact O-N 2.83Å; W568-I595 HydrophobicContact CH2-CG2 3.93Å; W568-I595 HydrophobicContact CZ3-CG2 4.12Å; W568-M642 HydrophobicContact CB-CE 3.97Å; W568-M642 HydrophobicContact CD2-CE 3.8Å; W568-M642 HydrophobicContact CD2-CG 3.87Å; W568-M642 HydrophobicContact CD2-SD 4.13Å; W568-M642 HydrophobicContact CE3-CB 4.42Å; W568-M642 HydrophobicContact CE3-CE 4.21Å; W568-M642 HydrophobicContact CE3-CG 3.72Å; W568-M642 HydrophobicContact CE3-SD 3.93Å; W568-M642 HydrophobicContact CG-CE 3.68Å; W568-M642 HydrophobicContact CH2-CB 4.01Å; W568-M642 HydrophobicContact CH2-CG 3.8Å; W568-M642 HydrophobicContact CZ2-CG 3.91Å; W568-M642 HydrophobicContact CZ3-CB 3.96Å; W568-M642 HydrophobicContact CZ3-CG 3.7Å; W568-M642 HydrophobicContact CZ3-SD 4.4Å; W568-I645 HydrophobicContact CH2-CD1 3.96Å; W568-I645 HydrophobicContact CZ2-CD1 3.92Å
569W94.8Very high94.3Very high20 Ų2029.1 Ų29.18%0.07614%0.143CC..G310 helixtrans-65.5-31.7-165.959.1-99.6000113.9I348 V352 Y571 G572 V585 D586 N587 T589 I595I348-W569 HydrophobicContact CG1-CZ2 4.37Å; V352-W569 HydrophobicContact CG2-CH2 4.1Å; W569-Y571 PolarHBondContact O-N 2.86Å; W569-G572 PolarHBondContact O-N 2.86Å; W569-G572 VanDerWaalsContact O-N 3.17Å; W569-V585 HydrophobicContact CB-CB 4.43Å; W569-V585 HydrophobicContact CB-CG2 4.35Å; W569-D586 CarbonylContact O-C 3.51Å; W569-N587 WeakPolarHBondContact CZ3-OD1 3.42Å; W569-N587 PolarHBondContact O-N 3.11Å; W569-T589 HydrophobicContact CD2-CG2 3.88Å; W569-T589 HydrophobicContact CE3-CG2 3.84Å; W569-T589 HydrophobicContact CG-CG2 4.32Å; W569-T589 HydrophobicContact CZ3-CG2 4.24Å; W569-I595 HydrophobicContact CB-CD1 4.3Å; W569-I595 HydrophobicContact CG-CD1 4.31Å
570D91.9Very high94.2Very high25 Ų2532.7 Ų32.713%0.13416%0.162CC..G310 helixtrans-44.7-39.9174.1-58.129.1000112.8F51 W568 K638F51-D570 WeakPolarHBondContact CD1-O 3.39Å; W568-D570 VanDerWaalsContact C-N 3.33Å; W568-D570 PolarHBondContact NE1-OD1 2.95Å; W568-D570 VanDerWaalsContact NE1-OD1 3.1Å; W568-D570 PolarHBondContact O-N 3.23Å; D570-K638 WeakPolarHBondContact OD2-CE 3.3Å; D570-K638 IonicContact OD2-NZ 2.69Å; D570-K638 PolarHBondContact OD2-NZ 3.31Å
571Y93.7Very high94.3Very high3 Ų326.6 Ų26.61%0.01214%0.135CC..G310 helixtrans-93.2-7.9-168.8-42.7-50.7000113.9F51 W568 W569 Y573 Q574 I575 I624 D635 K638F51-Y571 HydrophobicContact CD1-CD1 4.43Å; F51-Y571 AromaticContact CE1-CD1 3.94Å; F51-Y571 HydrophobicContact CE1-CD1 3.94Å; F51-Y571 HydrophobicContact CE1-CE1 4.26Å; W568-Y571 HydrophobicContact CB-CD2 4.23Å; W568-Y571 HydrophobicContact CB-CE2 3.96Å; W568-Y571 PolarHBondContact O-N 2.83Å; W569-Y571 PolarHBondContact O-N 2.86Å; Y571-Y573 PolarHBondContact O-N 3.03Å; Y571-Q574 PolarHBondContact O-N 2.93Å; Y571-I575 PolarHBondContact O-N 2.95Å; Y571-I624 HydrophobicContact CD1-CD1 4.03Å; Y571-I624 HydrophobicContact CD2-CD1 4.37Å; Y571-I624 HydrophobicContact CE1-CD1 3.6Å; Y571-I624 HydrophobicContact CE2-CD1 3.97Å; Y571-I624 HydrophobicContact CE2-CG1 4.07Å; Y571-I624 HydrophobicContact CG-CD1 4.4Å; Y571-D635 VanDerWaalsContact CE2-OD1 3.24Å; Y571-D635 WeakPolarHBondContact CE2-OD1 3.2Å; Y571-D635 PolarHBondContact OH-OD1 2.84Å; Y571-K638 PolarHBondContact OH-NZ 2.88Å
572G93.8Very high94.5Very high0 Ų019.2 Ų19.20%010%0.101CC..Hα-helixtrans-54.8-46.9-17100000113.4W569 Q574 I575 A576 D586W569-G572 PolarHBondContact O-N 2.86Å; W569-G572 VanDerWaalsContact O-N 3.17Å; G572-Q574 PolarHBondContact O-N 2.89Å; G572-I575 PolarHBondContact O-N 2.74Å; G572-A576 WeakPolarHBondContact O-CB 3.3Å; G572-A576 PolarHBondContact O-N 3.29Å; G572-D586 VanDerWaalsContact C-OD1 3.26Å
573Y94.6Very high94.6Very high22 Ų2214.5 Ų14.59%0.0868%0.076CC..Hα-helixtrans-63.9-34.4176-70.2-18.6000113.9W54 F55 R85 Y571 G577 D586 N587 N588W54-Y573 WeakPolarHBondContact CB-O 3.28Å; F55-Y573 HydrophobicContact CB-CD1 3.54Å; F55-Y573 HydrophobicContact CB-CD2 3.66Å; F55-Y573 HydrophobicContact CB-CE1 3.42Å; F55-Y573 VanDerWaalsContact CB-CE1 3.42Å; F55-Y573 HydrophobicContact CB-CE2 3.56Å; F55-Y573 HydrophobicContact CB-CG 3.65Å; F55-Y573 VanDerWaalsContact CB-CZ 3.42Å; F55-Y573 HydrophobicContact CD1-CE1 4.35Å; F55-Y573 AromaticContact CD1-CZ 3.99Å; F55-Y573 HydrophobicContact CD2-CD1 4.13Å; F55-Y573 AromaticContact CD2-CE1 3.59Å; F55-Y573 HydrophobicContact CD2-CE1 3.59Å; F55-Y573 HydrophobicContact CE2-CE1 4.47Å; F55-Y573 HydrophobicContact CG-CD1 4.1Å; F55-Y573 AromaticContact CG-CE1 3.52Å; F55-Y573 HydrophobicContact CG-CE1 3.52Å; F55-Y573 HydrophobicContact CG-CE2 4.18Å; F55-Y573 AromaticContact CG-CZ 3.56Å; R85-Y573 PolarHBondContact NH1-OH 3.11Å; Y571-Y573 PolarHBondContact O-N 3.03Å; Y573-G577 WeakPolarHBondContact O-CA 3.34Å; Y573-G577 PolarHBondContact O-N 3.25Å; Y573-D586 VanDerWaalsContact CD1-CG 3.48Å; Y573-D586 WeakPolarHBondContact CD1-OD1 2.91Å; Y573-D586 WeakPolarHBondContact CD1-OD2 3.43Å; Y573-D586 VanDerWaalsContact CE1-CG 3.5Å; Y573-D586 WeakPolarHBondContact CE1-OD1 3.1Å; Y573-D586 WeakPolarHBondContact CE1-OD2 3.24Å; Y573-D586 PolarHBondContact N-OD1 2.81Å; Y573-N587 HydrophobicContact CD1-CB 4.31Å; Y573-N587 HydrophobicContact CD2-CB 3.63Å; Y573-N587 HydrophobicContact CE1-CB 4.43Å; Y573-N587 HydrophobicContact CE2-CB 3.76Å; Y573-N587 HydrophobicContact CG-CB 3.93Å; Y573-N588 WeakPolarHBondContact OH-CB 3.43Å
574Q93.6Very high94.5Very high0 Ų014.5 Ų14.50%08%0.076CC..Hα-helixtrans-74.6-39.2177.6-71.3-174.2-9.700111.5E50 F51 W54 Y552 Y571 G572 G577 M578E50-Q574 PolarHBondContact O-NE2 3.36Å; E50-Q574 VanDerWaalsContact O-NE2 3.14Å; F51-Q574 VanDerWaalsContact CD1-CD 3.43Å; F51-Q574 HydrophobicContact CD1-CG 4.06Å; F51-Q574 VanDerWaalsContact CD1-NE2 3.27Å; W54-Q574 HydrophobicContact CG-CG 4.34Å; Y552-Q574 HydrophobicContact CE2-CB 3.87Å; Y552-Q574 PolarHBondContact OH-OE1 3.2Å; Y552-Q574 VanDerWaalsContact OH-OE1 3.13Å; Y571-Q574 PolarHBondContact O-N 2.93Å; G572-Q574 PolarHBondContact O-N 2.89Å; Q574-G577 PolarHBondContact O-N 3.39Å; Q574-M578 WeakPolarHBondContact O-CB 3.49Å; Q574-M578 PolarHBondContact O-N 2.89Å
575I95.1Very high94.4Very high0 Ų012 Ų120%07%0.067CC..Iπ-helixtrans-65.2-45.7175-66.5164.1000110.4Y552 L555 V565 S567 Y571 G572 G577 G579 N580 T583 L622Y552-I575 HydrophobicContact CD1-CG1 4.1Å; Y552-I575 HydrophobicContact CE1-CD1 4.49Å; Y552-I575 HydrophobicContact CE1-CG1 3.53Å; L555-I575 HydrophobicContact CD2-CG2 3.97Å; V565-I575 HydrophobicContact CB-CG2 4.36Å; V565-I575 HydrophobicContact CG1-CD1 4.42Å; V565-I575 HydrophobicContact CG1-CG2 4.46Å; S567-I575 WeakPolarHBondContact OG-CD1 3.44Å; Y571-I575 PolarHBondContact O-N 2.95Å; G572-I575 PolarHBondContact O-N 2.74Å; I575-G577 VanDerWaalsContact C-N 3.33Å; I575-G577 PolarHBondContact O-N 2.94Å; I575-G579 CarbonylContact O-C 3.53Å; I575-G579 WeakPolarHBondContact O-CA 3.29Å; I575-G579 PolarHBondContact O-N 2.98Å; I575-N580 PolarHBondContact O-N 3.15Å; I575-T583 HydrophobicContact CB-CG2 3.91Å; I575-T583 HydrophobicContact CG2-CG2 3.65Å; I575-L622 HydrophobicContact CD1-CD1 4.22Å; I575-L622 HydrophobicContact CG1-CD1 4.38Å
576A93.5Very high94.2Very high6 Ų612.2 Ų12.25%0.057%0.068CC..Iπ-helixtrans-68.3-30.1175.900000112.9G572G572-A576 WeakPolarHBondContact O-CB 3.3Å; G572-A576 PolarHBondContact O-N 3.29Å
577G91.4Very high93.9Very high26 Ų2613.3 Ų13.327%0.2687%0.074SC..Iπ-helixtrans-86-38.9-177.100000115.7Y573 Q574 I575Y573-G577 WeakPolarHBondContact O-CA 3.34Å; Y573-G577 PolarHBondContact O-N 3.25Å; Q574-G577 PolarHBondContact O-N 3.39Å; I575-G577 VanDerWaalsContact C-N 3.33Å; I575-G577 PolarHBondContact O-N 2.94Å
578M92.1Very high93.5Very high26 Ų2615.7 Ų15.713%0.1289%0.086CC..Iπ-helixtrans-105.1-44.2179.2-62-169.4-161.300113W54 I531 R549 Y552 Q574 N580W54-M578 HydrophobicContact CD2-CE 4.31Å; W54-M578 HydrophobicContact CE3-CG 4.12Å; W54-M578 HydrophobicContact CH2-CE 3.74Å; W54-M578 HydrophobicContact CH2-CG 3.95Å; W54-M578 HydrophobicContact CZ2-CE 3.29Å; W54-M578 HydrophobicContact CZ2-CG 4.38Å; W54-M578 HydrophobicContact CZ3-CE 4.4Å; W54-M578 HydrophobicContact CZ3-CG 3.8Å; I531-M578 HydrophobicContact CB-CE 4.46Å; I531-M578 HydrophobicContact CD1-CE 3.52Å; I531-M578 HydrophobicContact CG1-CE 3.8Å; I531-M578 HydrophobicContact CG2-CE 3.79Å; R549-M578 HydrophobicContact CG-SD 4.12Å; Y552-M578 HydrophobicContact CD2-CB 4.08Å; Y552-M578 HydrophobicContact CD2-CG 4.39Å; Y552-M578 HydrophobicContact CD2-SD 3.63Å; Y552-M578 HydrophobicContact CE2-SD 4.29Å; Y552-M578 HydrophobicContact CG-CB 4.25Å; Q574-M578 WeakPolarHBondContact O-CB 3.49Å; Q574-M578 PolarHBondContact O-N 2.89Å; M578-N580 VanDerWaalsContact C-N 3.34Å
579G92.1Very high93.2Very high0 Ų017.6 Ų17.60%010%0.098CC..Iπ-helixtrans-76.4-22.9179.900000113.4Y552 W556 I575 R581Y552-G579 WeakPolarHBondContact O-CA 3.34Å; W556-G579 VanDerWaalsContact CA-O 3.27Å; W556-G579 WeakPolarHBondContact CA-O 3.13Å; W556-G579 VanDerWaalsContact CB-O 3.29Å; W556-G579 WeakPolarHBondContact CB-O 3.5Å; I575-G579 CarbonylContact O-C 3.53Å; I575-G579 WeakPolarHBondContact O-CA 3.29Å; I575-G579 PolarHBondContact O-N 2.98Å; G579-R581 VanDerWaalsContact C-N 3.32Å; G579-R581 PolarHBondContact O-N 3.1Å
580N94.6Very high93Very high88 Ų8822.5 Ų22.547%0.47112%0.117SC..  trans48.952.1-179.1-168.634.5000111.8W556 I575 M578W556-N580 HydrophobicContact CG-CB 4.46Å; I575-N580 PolarHBondContact O-N 3.15Å; M578-N580 VanDerWaalsContact C-N 3.34Å
581R95.5Very high93Very high14 Ų1422.9 Ų22.95%0.05312%0.119CC..  trans-134.6161.2179.1-71.8-58179.5-87.11.5111.7L555 W556 T559 K560 E561 V565 G579L555-R581 HydrophobicContact CD2-CB 4.5Å; L555-R581 HydrophobicContact CD2-CG 4.47Å; L555-R581 HydrophobicContact CG-CG 4.12Å; W556-R581 PolarHBondContact O-NH2 2.65Å; T559-R581 PolarHBondContact O-NH2 3.02Å; T559-R581 PolarHBondContact OG1-NE 3.06Å; K560-R581 WeakPolarHBondContact O-CD 3.45Å; K560-R581 PolarHBondContact O-NE 2.67Å; E561-R581 WeakPolarHBondContact O-CD 3.16Å; V565-R581 HydrophobicContact CG2-CB 4.1Å; G579-R581 VanDerWaalsContact C-N 3.32Å; G579-R581 PolarHBondContact O-N 3.1Å
582T96.2Very high92.9Very high15 Ų1525.6 Ų25.69%0.09213%0.134CC..EExtended strand (participates in β ladder)trans-72.2127.3-174.3-62.70000111.5T78 Y81 A563 R564 V565T78-T582 CarbonylContact O-C 3.56Å; T78-T582 WeakPolarHBondContact O-CA 3.39Å; Y81-T582 HydrophobicContact CD2-CG2 4.13Å; Y81-T582 HydrophobicContact CG-CG2 3.98Å; A563-T582 PolarHBondContact O-N 3.47Å; R564-T582 WeakPolarHBondContact CA-O 3.4Å; R564-T582 HydrophobicContact CB-CG2 4.47Å; R564-T582 HydrophobicContact CG-CG2 3.96Å; V565-T582 PolarHBondContact N-O 3.18Å
583T96.2Very high92.8Very high0 Ų028.1 Ų28.10%015%0.151CC..EExtended strand (participates in β ladder)trans-106.7141.6178.160.30000111.9T78 W80 Y81 I575T78-T583 PolarHBondContact O-N 2.96Å; W80-T583 PolarHBondContact N-O 3.39Å; W80-T583 VanDerWaalsContact N-O 3.1Å; Y81-T583 PolarHBondContact N-O 2.74Å; I575-T583 HydrophobicContact CB-CG2 3.91Å; I575-T583 HydrophobicContact CG2-CG2 3.65Å
584L94.9Very high92.8Very high0 Ų027.6 Ų27.60%015%0.15CC..SBendtrans-79.6-40177.2-84.172.7000112.5W80 R564 M566 H594 L616 V618W80-L584 WeakPolarHBondContact CA-O 3.38Å; R564-L584 HydrophobicContact CB-CD1 3.84Å; M566-L584 HydrophobicContact CB-CD2 4.46Å; L584-H594 PolarHBondContact O-CD2 2.9Å; L584-H594 PolarHBondContact O-NE2 3.06Å; L584-L616 HydrophobicContact CD2-CB 3.68Å; L584-L616 HydrophobicContact CD2-CD1 4Å; L584-L616 HydrophobicContact CD2-CG 4.41Å; L584-V618 HydrophobicContact CD1-CG2 4.13Å; L584-V618 HydrophobicContact CD2-CG2 3.41Å; L584-V618 VanDerWaalsContact CD2-CG2 3.41Å; L584-V618 HydrophobicContact CG-CG2 4.42Å
585V94.3Very high92.9Very high1 Ų127.6 Ų27.61%0.00615%0.15CC..SBendtrans-127157177.6-710000109.2W80 S567 W569 I595 V598W80-V585 HydrophobicContact CZ3-CG1 4.25Å; S567-V585 VanDerWaalsContact O-CG2 3.23Å; S567-V585 WeakPolarHBondContact O-CG2 3.23Å; W569-V585 HydrophobicContact CB-CB 4.43Å; W569-V585 HydrophobicContact CB-CG2 4.35Å; V585-I595 HydrophobicContact CB-CG1 4.34Å; V585-I595 HydrophobicContact CG1-CG1 3.93Å; V585-V598 HydrophobicContact CG1-CB 4.25Å; V585-V598 HydrophobicContact CG1-CG2 3.63Å; V585-V598 HydrophobicContact CG2-CB 4.49Å; V585-V598 HydrophobicContact CG2-CG1 4.29Å; V585-V598 HydrophobicContact CG2-CG2 4.19Å
586D91Very high92.8Very high3 Ų327.6 Ų27.62%0.01615%0.15CC..  trans-146.8162.4-171-15918.9000111.3W80 R85 W569 G572 Y573 N588W80-D586 HydrophobicContact CZ2-CB 4.02Å; W80-D586 WeakPolarHBondContact CZ2-O 3.4Å; R85-D586 IonicContact NH1-OD2 3.51Å; W569-D586 CarbonylContact O-C 3.51Å; G572-D586 VanDerWaalsContact C-OD1 3.26Å; Y573-D586 VanDerWaalsContact CD1-CG 3.48Å; Y573-D586 WeakPolarHBondContact CD1-OD1 2.91Å; Y573-D586 WeakPolarHBondContact CD1-OD2 3.43Å; Y573-D586 VanDerWaalsContact CE1-CG 3.5Å; Y573-D586 WeakPolarHBondContact CE1-OD1 3.1Å; Y573-D586 WeakPolarHBondContact CE1-OD2 3.24Å; Y573-D586 PolarHBondContact N-OD1 2.81Å; D586-N588 VanDerWaalsContact C-N 3.31Å; D586-N588 PolarHBondContact O-N 2.83Å
587N91.7Very high92.8Very high24 Ų2429.9 Ų29.913%0.12816%0.161CC..SBendtrans-70.1-23.7-170.4-176.111000113.3D52 W569 Y573 T589D52-N587 PolarHBondContact OD1-ND2 2.87Å; W569-N587 WeakPolarHBondContact CZ3-OD1 3.42Å; W569-N587 PolarHBondContact O-N 3.11Å; Y573-N587 HydrophobicContact CD1-CB 4.31Å; Y573-N587 HydrophobicContact CD2-CB 3.63Å; Y573-N587 HydrophobicContact CE1-CB 4.43Å; Y573-N587 HydrophobicContact CE2-CB 3.76Å; Y573-N587 HydrophobicContact CG-CB 3.93Å; N587-T589 PolarHBondContact O-N 3.38Å
588N87.1Confident93Very high51 Ų5128.7 Ų28.727%0.27315%0.149SC..SBendtrans-74.288.2163.8177.544.4000110.7W80 R85 Y573 D586 W590W80-N588 WeakPolarHBondContact CZ2-O 3.44Å; R85-N588 PolarHBondContact NH2-ND2 3.36Å; Y573-N588 WeakPolarHBondContact OH-CB 3.43Å; D586-N588 VanDerWaalsContact C-N 3.31Å; D586-N588 PolarHBondContact O-N 2.83Å; N588-W590 VanDerWaalsContact O-CD1 3.28Å; N588-W590 PolarHBondContact O-N 3.34Å
589T89.7Confident93.1Very high45 Ų4527.5 Ų27.528%0.27614%0.142SC..  trans-70.764.2-173.9670000113.9I348 W569 N587 I595I348-T589 HydrophobicContact CD1-CG2 3.74Å; I348-T589 HydrophobicContact CG1-CG2 4.26Å; W569-T589 HydrophobicContact CD2-CG2 3.88Å; W569-T589 HydrophobicContact CE3-CG2 3.84Å; W569-T589 HydrophobicContact CG-CG2 4.32Å; W569-T589 HydrophobicContact CZ3-CG2 4.24Å; N587-T589 PolarHBondContact O-N 3.38Å; T589-I595 HydrophobicContact CG2-CD1 3.7Å
590W90.1Very high93.2Very high123 Ų12329 Ų2947%0.46615%0.149SC..  trans-85-21.3-177.471.3-90.7000114W80 L83 N588W80-W590 HydrophobicContact CB-CZ2 4.34Å; W80-W590 AromaticContact CD1-NE1 3.29Å; W80-W590 VanDerWaalsContact CD1-NE1 3.29Å; W80-W590 AromaticContact CD2-CE2 3.87Å; W80-W590 HydrophobicContact CD2-CZ2 4.18Å; W80-W590 AromaticContact CD2-NE1 3.22Å; W80-W590 AromaticContact CE2-CD1 3.47Å; W80-W590 VanDerWaalsContact CE2-CD1 3.47Å; W80-W590 AromaticContact CE2-NE1 3.15Å; W80-W590 HydrophobicContact CE3-CZ2 4.35Å; W80-W590 AromaticContact CE3-NE1 3.96Å; W80-W590 HydrophobicContact CG-CZ2 4.16Å; W80-W590 AromaticContact CG-NE1 3.35Å; W80-W590 VanDerWaalsContact CG-NE1 3.35Å; W80-W590 AromaticContact CZ2-CD1 3.79Å; W80-W590 AromaticContact CZ2-NE1 3.87Å; W80-W590 AromaticContact NE1-CD1 3.44Å; W80-W590 AromaticContact NE1-NE1 3.1Å; W80-W590 VanDerWaalsContact NE1-NE1 3.1Å; L83-W590 HydrophobicContact CB-CH2 4.44Å; L83-W590 HydrophobicContact CB-CZ2 4.39Å; L83-W590 HydrophobicContact CD1-CH2 3.97Å; L83-W590 HydrophobicContact CD1-CZ2 4.06Å; N588-W590 VanDerWaalsContact O-CD1 3.28Å; N588-W590 PolarHBondContact O-N 3.34Å
591N92Very high93.2Very high33 Ų3324.8 Ų24.818%0.17613%0.126CC..  trans-12496.2178.2-173.6-8.1000111.2W80 L83 S593 H594 I595W80-N591 HydrophobicContact CE3-CB 4.35Å; W80-N591 HydrophobicContact CH2-CB 4.39Å; W80-N591 HydrophobicContact CZ3-CB 3.86Å; L83-N591 WeakPolarHBondContact CD1-ND2 3.29Å; N591-S593 PolarHBondContact OD1-N 3.4Å; N591-S593 PolarHBondContact OD1-OG 2.97Å; N591-S593 VanDerWaalsContact OD1-OG 3.12Å; N591-H594 HydrophobicContact CB-CB 4.3Å; N591-H594 PolarHBondContact OD1-N 3.13Å; N591-I595 PolarHBondContact O-N 2.76Å
592N91.3Very high93.2Very high61 Ų6124.1 Ų24.133%0.32612%0.124SC..Hα-helixtrans-66.3-37.7-176.1-69-14.2000113.4H594 I595 A596N592-H594 PolarHBondContact O-N 3.09Å; N592-I595 PolarHBondContact O-N 3.34Å; N592-A596 PolarHBondContact O-N 3.39Å
593S92.6Very high93.2Very high52 Ų5223.5 Ų23.536%0.36412%0.121SC..Hα-helixtrans-71.8-31.5-176.859.30000112.2N591 A596 L597N591-S593 PolarHBondContact OD1-N 3.4Å; N591-S593 PolarHBondContact OD1-OG 2.97Å; N591-S593 VanDerWaalsContact OD1-OG 3.12Å; S593-A596 CarbonylContact O-C 3.56Å; S593-A596 WeakPolarHBondContact O-CB 3.33Å; S593-A596 PolarHBondContact O-N 3.35Å; S593-L597 WeakPolarHBondContact O-CG 3.37Å; S593-L597 PolarHBondContact O-N 2.79Å
594H94Very high93.1Very high12 Ų1224.4 Ų24.46%0.05613%0.127CC..Hα-helixtrans-70-33.2171.9-16375.2000112.4W80 Y81 L584 N591 N592 L597 V598W80-H594 AromaticContact CE3-CD2 3.71Å; W80-H594 HydrophobicContact CZ3-CB 4.12Å; W80-H594 AromaticContact CZ3-CD2 3.81Å; Y81-H594 PolarHBondContact O-CE1 3.16Å; Y81-H594 PolarHBondContact O-NE2 3.05Å; L584-H594 PolarHBondContact O-CD2 2.9Å; L584-H594 PolarHBondContact O-NE2 3.06Å; N591-H594 HydrophobicContact CB-CB 4.3Å; N591-H594 PolarHBondContact OD1-N 3.13Å; N592-H594 PolarHBondContact O-N 3.09Å; H594-L597 PolarHBondContact O-N 2.85Å; H594-V598 PolarHBondContact O-N 3.34Å
595I94.7Very high93.1Very high0 Ų028 Ų280%015%0.146CC..Hα-helixtrans-67.6-38.6167.7-62.6176.4000111W80 I348 W568 W569 V585 T589 N591 N592 L597 V598 G599 I645W80-I595 HydrophobicContact CH2-CD1 3.87Å; W80-I595 HydrophobicContact CH2-CG1 3.76Å; W80-I595 HydrophobicContact CZ3-CG1 4.24Å; I348-I595 HydrophobicContact CD1-CD1 3.52Å; I348-I595 HydrophobicContact CD1-CG2 4.15Å; W568-I595 HydrophobicContact CH2-CG2 3.93Å; W568-I595 HydrophobicContact CZ3-CG2 4.12Å; W569-I595 HydrophobicContact CB-CD1 4.3Å; W569-I595 HydrophobicContact CG-CD1 4.31Å; V585-I595 HydrophobicContact CB-CG1 4.34Å; V585-I595 HydrophobicContact CG1-CG1 3.93Å; T589-I595 HydrophobicContact CG2-CD1 3.7Å; N591-I595 PolarHBondContact O-N 2.76Å; N592-I595 PolarHBondContact O-N 3.34Å; I595-L597 VanDerWaalsContact C-N 3.32Å; I595-L597 PolarHBondContact O-N 3.5Å; I595-V598 PolarHBondContact O-N 3.25Å; I595-G599 PolarHBondContact O-N 2.81Å; I595-I645 HydrophobicContact CG2-CG2 4.05Å
596A93.8Very high93Very high0 Ų028.4 Ų28.40%015%0.148CC..Hα-helixtrans-64.6-32.7176.100000112.8N592 S593 G599 K600 I645 E649N592-A596 PolarHBondContact O-N 3.39Å; S593-A596 CarbonylContact O-C 3.56Å; S593-A596 WeakPolarHBondContact O-CB 3.33Å; S593-A596 PolarHBondContact O-N 3.35Å; A596-G599 PolarHBondContact O-N 3.15Å; A596-K600 WeakPolarHBondContact O-CB 3.31Å; A596-K600 PolarHBondContact O-N 2.88Å; A596-I645 HydrophobicContact CB-CG2 4.21Å; A596-I645 WeakPolarHBondContact CB-O 3.45Å; A596-E649 HydrophobicContact CB-CB 3.81Å; A596-E649 HydrophobicContact CB-CG 3.54Å
597L94.2Very high93.1Very high54 Ų5430.6 Ų30.628%0.28316%0.164SC..Hα-helixtrans-63.6-42.9170.8-72.8174.1000112.3S593 H594 I595 K600 A601S593-L597 WeakPolarHBondContact O-CG 3.37Å; S593-L597 PolarHBondContact O-N 2.79Å; H594-L597 PolarHBondContact O-N 2.85Å; I595-L597 VanDerWaalsContact C-N 3.32Å; I595-L597 PolarHBondContact O-N 3.5Å; L597-K600 WeakPolarHBondContact O-CB 3.17Å; L597-K600 PolarHBondContact O-N 3.17Å; L597-A601 PolarHBondContact O-N 3.13Å
598V95.1Very high93.1Very high1 Ų133.5 Ų33.51%0.00618%0.176CC..Hα-helixtrans-68.3-42.3174.8174.80000111.2M566 V585 H594 I595 K600 A601 M602M566-V598 HydrophobicContact CG-CG1 3.9Å; M566-V598 HydrophobicContact CG-CG2 4.3Å; M566-V598 HydrophobicContact SD-CG1 4.22Å; M566-V598 HydrophobicContact SD-CG2 4.42Å; V585-V598 HydrophobicContact CG1-CB 4.25Å; V585-V598 HydrophobicContact CG1-CG2 3.63Å; V585-V598 HydrophobicContact CG2-CB 4.49Å; V585-V598 HydrophobicContact CG2-CG1 4.29Å; V585-V598 HydrophobicContact CG2-CG2 4.19Å; H594-V598 PolarHBondContact O-N 3.34Å; I595-V598 PolarHBondContact O-N 3.25Å; V598-K600 VanDerWaalsContact C-N 3.27Å; V598-K600 PolarHBondContact O-N 2.91Å; V598-A601 PolarHBondContact O-N 2.9Å; V598-M602 WeakPolarHBondContact O-CG 3.33Å; V598-M602 PolarHBondContact O-N 2.99Å
599G94.4Very high93.5Very high0 Ų031.1 Ų31.10%016%0.163CC..Hα-helixtrans-58.6-39.2172.400000112.3I595 A596 M602 A603I595-G599 PolarHBondContact O-N 2.81Å; A596-G599 PolarHBondContact O-N 3.15Å; G599-M602 PolarHBondContact O-N 2.73Å; G599-A603 VanDerWaalsContact O-CB 3.23Å; G599-A603 WeakPolarHBondContact O-CB 3.18Å; G599-A603 PolarHBondContact O-N 2.75Å
600K94.3Very high93.7Very high31 Ų3129.9 Ų29.914%0.13515%0.154CC..Hα-helixtrans-63.4-46.8173.7165.3177.5173170.70112.4A596 L597 V598 A603 S604 E653 I654A596-K600 WeakPolarHBondContact O-CB 3.31Å; A596-K600 PolarHBondContact O-N 2.88Å; L597-K600 WeakPolarHBondContact O-CB 3.17Å; L597-K600 PolarHBondContact O-N 3.17Å; V598-K600 VanDerWaalsContact C-N 3.27Å; V598-K600 PolarHBondContact O-N 2.91Å; K600-A603 PolarHBondContact O-N 3.36Å; K600-S604 WeakPolarHBondContact O-CB 3.44Å; K600-S604 PolarHBondContact O-N 3.09Å; K600-S604 PolarHBondContact O-OG 3.33Å; K600-E653 VanDerWaalsContact CE-OE2 3.26Å; K600-E653 WeakPolarHBondContact CE-OE2 3.34Å; K600-E653 IonicContact NZ-OE1 3.49Å; K600-E653 PolarHBondContact NZ-OE1 2.84Å; K600-E653 IonicContact NZ-OE2 2.92Å; K600-E653 PolarHBondContact NZ-OE2 3.46Å; K600-I654 VanDerWaalsContact CA-CD1 3.45Å; K600-I654 HydrophobicContact CB-CD1 3.74Å; K600-I654 HydrophobicContact CG-CD1 3.86Å
601A95.1Very high93.9Very high0 Ų029.4 Ų29.40%016%0.155CC..Hα-helixtrans-59.7-46.7176.500000111.1M566 L597 V598 A603 A609 T612 L680M566-A601 HydrophobicContact CE-CB 4.12Å; M566-A601 HydrophobicContact SD-CB 4.07Å; L597-A601 PolarHBondContact O-N 3.13Å; V598-A601 PolarHBondContact O-N 2.9Å; A601-A603 VanDerWaalsContact C-N 3.35Å; A601-A603 PolarHBondContact O-N 2.89Å; A601-A609 WeakPolarHBondContact O-CB 3.47Å; A601-T612 HydrophobicContact CB-CG2 4.04Å; A601-L680 WeakPolarHBondContact O-CD2 3.46Å
602M95.2Very high93.9Very high0 Ų028.3 Ų28.30%015%0.15CC..Hα-helixtrans-65.3-34178.7-66.1-58.8-165.600113.5M566 V598 G599 V621 V623 M642 C679 M681M566-M602 HydrophobicContact CE-CE 4.01Å; M566-M602 HydrophobicContact CE-SD 4.11Å; M566-M602 HydrophobicContact CG-CE 4.42Å; V598-M602 WeakPolarHBondContact O-CG 3.33Å; V598-M602 PolarHBondContact O-N 2.99Å; G599-M602 PolarHBondContact O-N 2.73Å; M602-V621 HydrophobicContact CE-CG1 3.84Å; M602-V621 HydrophobicContact SD-CG1 4.38Å; M602-V623 HydrophobicContact CE-CG1 4.32Å; M602-M642 HydrophobicContact CB-SD 4.04Å; M602-M642 HydrophobicContact CG-SD 4.27Å; M602-C679 PolarHBondContact O-SG 3.02Å; M602-M681 HydrophobicContact CB-CE 4.09Å; M602-M681 HydrophobicContact CE-CE 4.26Å; M602-M681 HydrophobicContact CG-CE 3.97Å; M602-M681 WeakPolarHBondContact O-CB 3.48Å; M602-M681 PolarHBondContact O-N 2.77Å; M602-M681 HydrophobicContact SD-CE 3.66Å
603A94.9Very high94Very high3 Ų325.4 Ų25.43%0.02513%0.134CC..Hα-helixtrans-88.3-18.6-17700000115G599 K600 A601 F639 V643 I654 F659 C679G599-A603 VanDerWaalsContact O-CB 3.23Å; G599-A603 WeakPolarHBondContact O-CB 3.18Å; G599-A603 PolarHBondContact O-N 2.75Å; K600-A603 PolarHBondContact O-N 3.36Å; A601-A603 VanDerWaalsContact C-N 3.35Å; A601-A603 PolarHBondContact O-N 2.89Å; A603-F639 HydrophobicContact CB-CE2 4.08Å; A603-F639 HydrophobicContact CB-CZ 4.1Å; A603-V643 HydrophobicContact CB-CG2 3.99Å; A603-I654 HydrophobicContact CB-CD1 4.04Å; A603-F659 HydrophobicContact CB-CZ 4.13Å; A603-F659 WeakPolarHBondContact O-CE1 3.49Å; A603-F659 WeakPolarHBondContact O-CZ 3.21Å; A603-C679 VanDerWaalsContact C-SG 3.56Å; A603-C679 PolarHBondContact O-SG 2.72Å
604S94.8Very high94Very high18 Ų1827 Ų2713%0.12614%0.136CC..SBendtrans-75.3170.5-178.5-72.70000113.4K600 L680K600-S604 WeakPolarHBondContact O-CB 3.44Å; K600-S604 PolarHBondContact O-N 3.09Å; K600-S604 PolarHBondContact O-OG 3.33Å; S604-L680 PolarHBondContact O-N 2.96Å
605N94.4Very high93.9Very high76 Ų7630.7 Ų30.741%0.40616%0.163SC..BIsolated β-bridgetrans-69.2164.6163.572.939.1000110.4S607 E608 A609N605-S607 PolarHBondContact O-N 2.81Å; N605-S607 PolarHBondContact OD1-N 3.01Å; N605-E608 PolarHBondContact O-N 3.13Å; N605-E608 PolarHBondContact OD1-N 3.09Å; N605-A609 VanDerWaalsContact O-CB 3.23Å; N605-A609 WeakPolarHBondContact O-CB 3.21Å; N605-A609 PolarHBondContact O-N 2.94Å
606E93.4Very high93.9Very high9 Ų931.4 Ų31.44%0.04217%0.167CC..Hα-helixtrans-60.6-39.1-172.9-150.3-179.9140.600113.6Y610 L680 K683 D718 Y719 L720E606-Y610 WeakPolarHBondContact O-CB 3.38Å; E606-Y610 PolarHBondContact O-N 2.95Å; E606-L680 HydrophobicContact CG-CD1 4.12Å; E606-K683 WeakPolarHBondContact OE2-CD 3.47Å; E606-K683 WeakPolarHBondContact OE2-CE 3.43Å; E606-K683 IonicContact OE2-NZ 2.74Å; E606-K683 PolarHBondContact OE2-NZ 3.21Å; E606-D718 PolarHBondContact OE1-N 2.85Å; E606-Y719 HydrophobicContact CB-CD2 4.26Å; E606-Y719 HydrophobicContact CG-CD2 3.85Å; E606-Y719 PolarHBondContact OE1-N 3.24Å; E606-L720 HydrophobicContact CG-CD1 4.26Å
607S92.4Very high93.9Very high50 Ų5035.8 Ų35.835%0.3519%0.191SC..Hα-helixtrans-70.1-38-178.9-580000113.8N605 K611 Y719N605-S607 PolarHBondContact O-N 2.81Å; N605-S607 PolarHBondContact OD1-N 3.01Å; S607-K611 WeakPolarHBondContact O-CG 3.31Å; S607-K611 PolarHBondContact O-N 2.87Å; S607-Y719 PolarHBondContact OG-OH 3.36Å
608E92.7Very high93.9Very high85 Ų8533.7 Ų33.740%0.39718%0.18SC..Hα-helixtrans-77.6-35.2175.5-63.1-53.8140.200111.7N605 K611 T612N605-E608 PolarHBondContact O-N 3.13Å; N605-E608 PolarHBondContact OD1-N 3.09Å; E608-K611 PolarHBondContact O-N 3.47Å; E608-K611 IonicContact OE1-NZ 3.23Å; E608-K611 PolarHBondContact OE1-NZ 3.21Å; E608-K611 WeakPolarHBondContact OE2-CE 3.36Å; E608-K611 IonicContact OE2-NZ 2.77Å; E608-K611 PolarHBondContact OE2-NZ 2.88Å; E608-T612 PolarHBondContact O-N 3.12Å; E608-T612 PolarHBondContact O-OG1 3.49Å; E608-T612 VanDerWaalsContact O-OG1 3.13Å
609A94.4Very high94Very high0 Ų035.7 Ų35.70%019%0.19CC..Hα-helixtrans-62.8-43.5171.600000111.4A601 N605 K611 T612 I613 L680A601-A609 WeakPolarHBondContact O-CB 3.47Å; N605-A609 VanDerWaalsContact O-CB 3.23Å; N605-A609 WeakPolarHBondContact O-CB 3.21Å; N605-A609 PolarHBondContact O-N 2.94Å; A609-K611 VanDerWaalsContact C-N 3.33Å; A609-K611 PolarHBondContact O-N 2.88Å; A609-T612 WeakPolarHBondContact O-CA 3.39Å; A609-T612 WeakPolarHBondContact O-CB 3.45Å; A609-T612 PolarHBondContact O-N 2.8Å; A609-I613 HydrophobicContact CB-CD1 4.43Å; A609-I613 WeakPolarHBondContact O-CB 3.34Å; A609-I613 VanDerWaalsContact O-CG1 3.27Å; A609-I613 WeakPolarHBondContact O-CG1 2.99Å; A609-I613 PolarHBondContact O-N 3.3Å; A609-L680 HydrophobicContact CB-CB 4.25Å; A609-L680 HydrophobicContact CB-CD2 3.71Å; A609-L680 HydrophobicContact CB-CG 4.48Å
610Y94.6Very high94.1Very high20 Ų2037 Ų378%0.07820%0.196CC..Hα-helixtrans-60.1-38.7179.7-174.8-116.1000112.9E606 T612 I613 Q614 Y719 V736 L737 P739E606-Y610 WeakPolarHBondContact O-CB 3.38Å; E606-Y610 PolarHBondContact O-N 2.95Å; Y610-T612 VanDerWaalsContact C-N 3.3Å; Y610-T612 PolarHBondContact O-N 3.06Å; Y610-I613 PolarHBondContact O-N 2.89Å; Y610-Q614 HydrophobicContact CD1-CG 4.36Å; Y610-Q614 HydrophobicContact CD2-CG 4.44Å; Y610-Q614 HydrophobicContact CE1-CG 4.05Å; Y610-Q614 HydrophobicContact CE2-CG 4.15Å; Y610-Q614 WeakPolarHBondContact O-CB 3.48Å; Y610-Q614 WeakPolarHBondContact O-CG 3.47Å; Y610-Q614 PolarHBondContact O-N 3.13Å; Y610-Q614 PolarHBondContact OH-NE2 3.41Å; Y610-Y719 AromaticContact CD1-CD1 3.37Å; Y610-Y719 HydrophobicContact CD1-CD1 3.37Å; Y610-Y719 AromaticContact CD1-CE1 3.72Å; Y610-Y719 HydrophobicContact CD1-CE1 3.72Å; Y610-Y719 AromaticContact CD1-CG 3.96Å; Y610-Y719 HydrophobicContact CD1-CG 3.96Å; Y610-Y719 HydrophobicContact CD2-CD1 4.05Å; Y610-Y719 AromaticContact CD2-CG 3.98Å; Y610-Y719 HydrophobicContact CD2-CG 3.98Å; Y610-Y719 AromaticContact CE1-CD1 3.51Å; Y610-Y719 HydrophobicContact CE1-CD1 3.51Å; Y610-Y719 AromaticContact CE1-CE1 3.98Å; Y610-Y719 HydrophobicContact CE1-CE1 3.98Å; Y610-Y719 HydrophobicContact CE1-CG 4.38Å; Y610-Y719 HydrophobicContact CE2-CD1 4.16Å; Y610-Y719 HydrophobicContact CE2-CG 4.38Å; Y610-Y719 AromaticContact CG-CD1 3.65Å; Y610-Y719 HydrophobicContact CG-CD1 3.65Å; Y610-Y719 HydrophobicContact CG-CD2 4.47Å; Y610-Y719 HydrophobicContact CG-CE1 4.32Å; Y610-Y719 AromaticContact CG-CG 3.73Å; Y610-Y719 HydrophobicContact CG-CG 3.73Å; Y610-Y719 AromaticContact CZ-CD1 3.9Å; Y610-V736 HydrophobicContact CD2-CG1 4.26Å; Y610-V736 HydrophobicContact CE2-CG1 3.72Å; Y610-L737 PolarHBondContact OH-O 3.21Å; Y610-P739 WeakPolarHBondContact OH-CA 3.45Å
611K93.2Very high94.3Very high112 Ų11235.5 Ų35.549%0.48719%0.189SC..Hα-helixtrans-58.8-42.6171.5-63.3173.6-158.9170.20111.9S607 E608 A609 S615S607-K611 WeakPolarHBondContact O-CG 3.31Å; S607-K611 PolarHBondContact O-N 2.87Å; E608-K611 PolarHBondContact O-N 3.47Å; E608-K611 IonicContact OE1-NZ 3.23Å; E608-K611 PolarHBondContact OE1-NZ 3.21Å; E608-K611 WeakPolarHBondContact OE2-CE 3.36Å; E608-K611 IonicContact OE2-NZ 2.77Å; E608-K611 PolarHBondContact OE2-NZ 2.88Å; A609-K611 VanDerWaalsContact C-N 3.33Å; A609-K611 PolarHBondContact O-N 2.88Å; K611-S615 WeakPolarHBondContact O-CB 3.48Å; K611-S615 PolarHBondContact O-N 3.43Å; K611-S615 PolarHBondContact O-OG 2.83Å
612T92.2Very high94.4Very high11 Ų1135.5 Ų35.57%0.06719%0.189CC..Hα-helixtrans-68.2-45.2-179.9-49.10000110.7A601 E608 A609 Y610 S615 L616A601-T612 HydrophobicContact CB-CG2 4.04Å; E608-T612 PolarHBondContact O-N 3.12Å; E608-T612 PolarHBondContact O-OG1 3.49Å; E608-T612 VanDerWaalsContact O-OG1 3.13Å; A609-T612 WeakPolarHBondContact O-CA 3.39Å; A609-T612 WeakPolarHBondContact O-CB 3.45Å; A609-T612 PolarHBondContact O-N 2.8Å; Y610-T612 VanDerWaalsContact C-N 3.3Å; Y610-T612 PolarHBondContact O-N 3.06Å; T612-S615 WeakPolarHBondContact CA-OG 3.28Å; T612-S615 PolarHBondContact O-N 3.36Å; T612-S615 PolarHBondContact O-OG 3.38Å; T612-L616 HydrophobicContact CG2-CD1 4.23Å; T612-L616 WeakPolarHBondContact O-CG 3.15Å; T612-L616 PolarHBondContact O-N 3.49Å
613I94.3Very high94.5Very high0 Ų035.5 Ų35.50%019%0.189CC..Hα-helixtrans-58.2-46.2175.1-71.8169.6000111.2M566 A609 Y610 L616 D617 V618 V621 L680 V736M566-I613 HydrophobicContact CE-CD1 3.92Å; M566-I613 HydrophobicContact CE-CG1 3.75Å; M566-I613 HydrophobicContact SD-CG1 4.23Å; A609-I613 HydrophobicContact CB-CD1 4.43Å; A609-I613 WeakPolarHBondContact O-CB 3.34Å; A609-I613 VanDerWaalsContact O-CG1 3.27Å; A609-I613 WeakPolarHBondContact O-CG1 2.99Å; A609-I613 PolarHBondContact O-N 3.3Å; Y610-I613 PolarHBondContact O-N 2.89Å; I613-L616 PolarHBondContact O-N 3.13Å; I613-D617 PolarHBondContact O-N 3.37Å; I613-V618 HydrophobicContact CG2-CB 3.77Å; I613-V618 HydrophobicContact CG2-CG1 4.16Å; I613-V618 HydrophobicContact CG2-CG2 4.4Å; I613-V618 PolarHBondContact O-N 2.82Å; I613-V621 HydrophobicContact CD1-CG2 4.44Å; I613-L680 HydrophobicContact CD1-CD2 4.02Å; I613-V736 HydrophobicContact CG2-CB 4.29Å; I613-V736 HydrophobicContact CG2-CG1 3.69Å; I613-V736 HydrophobicContact CG2-CG2 3.53Å
614Q92.1Very high94.5Very high84 Ų8435.4 Ų35.439%0.39319%0.188SC..Hα-helixtrans-64.1-42173.7-77.1-167.9-23.400112.4Y610 L616 D617Y610-Q614 HydrophobicContact CD1-CG 4.36Å; Y610-Q614 HydrophobicContact CD2-CG 4.44Å; Y610-Q614 HydrophobicContact CE1-CG 4.05Å; Y610-Q614 HydrophobicContact CE2-CG 4.15Å; Y610-Q614 WeakPolarHBondContact O-CB 3.48Å; Y610-Q614 WeakPolarHBondContact O-CG 3.47Å; Y610-Q614 PolarHBondContact O-N 3.13Å; Y610-Q614 PolarHBondContact OH-NE2 3.41Å; Q614-L616 PolarHBondContact O-N 2.97Å; Q614-D617 PolarHBondContact O-N 3.27Å
615S92.5Very high94.6Very high91 Ų9134.5 Ų34.564%0.63618%0.182SC*.Hα-helixtrans-66.2-9.1-179.571.90000114.8K611 T612K611-S615 WeakPolarHBondContact O-CB 3.48Å; K611-S615 PolarHBondContact O-N 3.43Å; K611-S615 PolarHBondContact O-OG 2.83Å; T612-S615 WeakPolarHBondContact CA-OG 3.28Å; T612-S615 PolarHBondContact O-N 3.36Å; T612-S615 PolarHBondContact O-OG 3.38Å
616L93.2Very high94.5Very high14 Ų1430.9 Ų30.97%0.07316%0.163CC..THydrogen-bonded Turntrans-12014.9-179.3-60.6171000112.5Y81 L584 T612 I613 Q614 V618Y81-L616 WeakPolarHBondContact CE1-O 3.45Å; L584-L616 HydrophobicContact CD2-CB 3.68Å; L584-L616 HydrophobicContact CD2-CD1 4Å; L584-L616 HydrophobicContact CD2-CG 4.41Å; T612-L616 HydrophobicContact CG2-CD1 4.23Å; T612-L616 WeakPolarHBondContact O-CG 3.15Å; T612-L616 PolarHBondContact O-N 3.49Å; I613-L616 PolarHBondContact O-N 3.13Å; Q614-L616 PolarHBondContact O-N 2.97Å; L616-V618 VanDerWaalsContact C-N 3.28Å; L616-V618 HydrophobicContact CB-CG2 4.16Å; L616-V618 PolarHBondContact O-N 2.93Å
617D94.2Very high94.4Very high93 Ų9330.5 Ų30.550%0.49716%0.161SC..THydrogen-bonded Turntrans45.644-178.8-70.9-43.5000114.3Y81 R564 I613 Q614 D619Y81-D617 HydrophobicContact CE1-CB 4.05Å; Y81-D617 PolarHBondContact OH-OD2 2.97Å; R564-D617 VanDerWaalsContact CD-O 3.3Å; R564-D617 WeakPolarHBondContact CD-O 3.34Å; I613-D617 PolarHBondContact O-N 3.37Å; Q614-D617 PolarHBondContact O-N 3.27Å; D617-D619 PolarHBondContact O-N 3.41Å
618V95.2Very high94.2Very high9 Ų931.9 Ų31.96%0.05516%0.159CC..  trans-74.6124.6-179.7177.90000111.1M566 L584 I613 L616 Y620 V621 V736M566-V618 HydrophobicContact CB-CG1 3.76Å; M566-V618 HydrophobicContact CB-CG2 4.07Å; M566-V618 HydrophobicContact SD-CG2 4.49Å; L584-V618 HydrophobicContact CD1-CG2 4.13Å; L584-V618 HydrophobicContact CD2-CG2 3.41Å; L584-V618 VanDerWaalsContact CD2-CG2 3.41Å; L584-V618 HydrophobicContact CG-CG2 4.42Å; I613-V618 HydrophobicContact CG2-CB 3.77Å; I613-V618 HydrophobicContact CG2-CG1 4.16Å; I613-V618 HydrophobicContact CG2-CG2 4.4Å; I613-V618 PolarHBondContact O-N 2.82Å; L616-V618 VanDerWaalsContact C-N 3.28Å; L616-V618 HydrophobicContact CB-CG2 4.16Å; L616-V618 PolarHBondContact O-N 2.93Å; V618-Y620 WeakPolarHBondContact CG1-O 3.41Å; V618-V621 HydrophobicContact CG1-CG2 4.15Å; V618-V736 HydrophobicContact CB-CG2 4.41Å; V618-V736 HydrophobicContact CG1-CG2 3.93Å; V618-V736 WeakPolarHBondContact O-CB 3.34Å; V618-V736 WeakPolarHBondContact O-CG2 3.45Å
619D96.3Very high94Very high43 Ų4330.1 Ų30.123%0.2315%0.152CC..  trans-88.1-38.7172.9-67.2-83.6000111.9A563 R564 D617 V736A563-D619 WeakPolarHBondContact CA-OD2 3.38Å; A563-D619 HydrophobicContact CB-CB 4.29Å; R564-D619 WeakPolarHBondContact CD-OD2 3.47Å; R564-D619 IonicContact CZ-OD2 3.77Å; R564-D619 PolarHBondContact N-OD2 3.17Å; R564-D619 IonicContact NE-OD2 3.87Å; R564-D619 IonicContact NH1-OD1 3.86Å; R564-D619 IonicContact NH1-OD2 2.86Å; R564-D619 PolarHBondContact NH1-OD2 2.89Å; R564-D619 PolarHBondContact O-N 3.34Å; R564-D619 VanDerWaalsContact O-N 3.14Å; D617-D619 PolarHBondContact O-N 3.41Å; D619-V736 PolarHBondContact O-N 2.88Å
620Y97.5Very high93.8Very high28 Ų2832 Ų3211%0.1117%0.17CC..EExtended strand (participates in β ladder)trans-137150.9-175.5-64.5-89.7000113W554 T559 A563 R564 V565 M566 V618 A723 I733 Y734 R735W554-Y620 HydrophobicContact CH2-CE1 4.26Å; T559-Y620 HydrophobicContact CG2-CD2 4.25Å; T559-Y620 HydrophobicContact CG2-CE1 4.11Å; T559-Y620 HydrophobicContact CG2-CE2 3.63Å; A563-Y620 HydrophobicContact CB-CD2 4.07Å; A563-Y620 HydrophobicContact CB-CE2 3.95Å; R564-Y620 PolarHBondContact O-N 2.98Å; V565-Y620 WeakPolarHBondContact CA-O 3.49Å; M566-Y620 PolarHBondContact N-O 2.86Å; V618-Y620 WeakPolarHBondContact CG1-O 3.41Å; Y620-A723 HydrophobicContact CE1-CB 4.27Å; Y620-I733 HydrophobicContact CD1-CG2 3.95Å; Y620-I733 HydrophobicContact CG-CG2 4.48Å; Y620-Y734 CarbonylContact C-O 3.59Å; Y620-Y734 VanDerWaalsContact CA-O 3.25Å; Y620-Y734 WeakPolarHBondContact CA-O 3.05Å; Y620-R735 HydrophobicContact CD1-CB 3.83Å; Y620-R735 HydrophobicContact CD1-CG 4.3Å; Y620-R735 HydrophobicContact CE1-CB 3.69Å; Y620-R735 HydrophobicContact CE1-CG 3.92Å
621V97.2Very high93.6Very high0 Ų033.3 Ų33.30%018%0.176CC..EExtended strand (participates in β ladder)trans-121122.7173.5-170.20000109.2M566 M602 I613 V618 V623 L684 L720 I733 Y734 V736M566-V621 HydrophobicContact CE-CG1 3.82Å; M566-V621 HydrophobicContact CE-CG2 3.96Å; M566-V621 CarbonylContact O-C 3.59Å; M566-V621 WeakPolarHBondContact O-CA 3.37Å; M602-V621 HydrophobicContact CE-CG1 3.84Å; M602-V621 HydrophobicContact SD-CG1 4.38Å; I613-V621 HydrophobicContact CD1-CG2 4.44Å; V618-V621 HydrophobicContact CG1-CG2 4.15Å; V621-V623 HydrophobicContact CG1-CG1 4.43Å; V621-L684 HydrophobicContact CB-CD1 4.44Å; V621-L684 HydrophobicContact CG1-CD1 3.81Å; V621-L720 HydrophobicContact CB-CD2 4.49Å; V621-L720 HydrophobicContact CG2-CD2 3.87Å; V621-I733 WeakPolarHBondContact O-CA 3.49Å; V621-Y734 PolarHBondContact N-O 3.49Å; V621-Y734 PolarHBondContact O-N 2.86Å; V621-V736 HydrophobicContact CG2-CG2 4.13Å
622L97.3Very high93.3Very high0 Ų032.1 Ų32.10%018%0.182CC..EExtended strand (participates in β ladder)trans-106.7128.3177.5-175155.7000109.6Y552 V565 M566 I575 I624 V731 I733Y552-L622 HydrophobicContact CD1-CD1 4.23Å; Y552-L622 HydrophobicContact CE1-CD1 3.92Å; V565-L622 HydrophobicContact CG1-CB 3.95Å; M566-L622 PolarHBondContact O-N 3.21Å; I575-L622 HydrophobicContact CD1-CD1 4.22Å; I575-L622 HydrophobicContact CG1-CD1 4.38Å; L622-I624 HydrophobicContact CD2-CG1 4.33Å; L622-V731 HydrophobicContact CD1-CG1 3.98Å; L622-V731 HydrophobicContact CD2-CG1 3.97Å; L622-V731 HydrophobicContact CG-CG1 3.84Å; L622-I733 HydrophobicContact CD1-CD1 4.31Å; L622-I733 HydrophobicContact CD1-CG1 4.14Å; L622-I733 HydrophobicContact CG-CG1 4.21Å
623V97.1Very high93.1Very high0 Ų032.6 Ų32.60%019%0.188CC..EExtended strand (participates in β ladder)trans-130.4148.1175.2-61.70000111.1M602 V621 D635 M681 L684 R732 Y734M602-V623 HydrophobicContact CE-CG1 4.32Å; V621-V623 HydrophobicContact CG1-CG1 4.43Å; V623-D635 WeakPolarHBondContact CA-OD2 3.45Å; V623-M681 HydrophobicContact CB-SD 4.32Å; V623-M681 HydrophobicContact CG1-CE 3.99Å; V623-M681 HydrophobicContact CG1-SD 3.95Å; V623-L684 HydrophobicContact CG1-CB 4.29Å; V623-L684 HydrophobicContact CG1-CD1 3.97Å; V623-L684 HydrophobicContact CG2-CB 4.08Å; V623-R732 HydrophobicContact CG2-CB 4.13Å; V623-R732 PolarHBondContact N-O 3.46Å; V623-R732 PolarHBondContact O-N 3.3Å; V623-Y734 HydrophobicContact CG2-CD2 4.38Å; V623-Y734 HydrophobicContact CG2-CE2 4.03Å
624I96.3Very high93.1Very high0 Ų032.6 Ų32.60%019%0.188CC..EExtended strand (participates in β ladder)trans-104.8126.4175.8-62.2-164.7000110F548 Y571 L622 Y631 D634 D635 L730F548-I624 HydrophobicContact CD1-CD1 4.36Å; F548-I624 HydrophobicContact CE1-CD1 3.48Å; F548-I624 VanDerWaalsContact CE1-CD1 3.48Å; F548-I624 HydrophobicContact CZ-CD1 4.08Å; Y571-I624 HydrophobicContact CD1-CD1 4.03Å; Y571-I624 HydrophobicContact CD2-CD1 4.37Å; Y571-I624 HydrophobicContact CE1-CD1 3.6Å; Y571-I624 HydrophobicContact CE2-CD1 3.97Å; Y571-I624 HydrophobicContact CE2-CG1 4.07Å; Y571-I624 HydrophobicContact CG-CD1 4.4Å; L622-I624 HydrophobicContact CD2-CG1 4.33Å; I624-Y631 HydrophobicContact CG2-CD1 4.46Å; I624-Y631 HydrophobicContact CG2-CE1 4.35Å; I624-D634 HydrophobicContact CG2-CB 4.04Å; I624-D635 PolarHBondContact N-OD2 2.87Å; I624-D635 PolarHBondContact O-N 3.45Å; I624-L730 CarbonylContact C-O 3.6Å; I624-L730 WeakPolarHBondContact CA-O 3.49Å; I624-L730 HydrophobicContact CG2-CD2 3.98Å
625F96.1Very high93.3Very high0 Ų028.6 Ų28.60%017%0.17CC..  trans-127109.3-176.9171.6-118.7000111Y686 F689 W729 L730F625-Y686 HydrophobicContact CD2-CE1 4.41Å; F625-Y686 AromaticContact CE2-CD1 3.84Å; F625-Y686 HydrophobicContact CE2-CD1 3.84Å; F625-Y686 AromaticContact CE2-CE1 3.44Å; F625-Y686 HydrophobicContact CE2-CE1 3.44Å; F625-Y686 VanDerWaalsContact CE2-CE1 3.44Å; F625-Y686 HydrophobicContact CZ-CD1 4.05Å; F625-Y686 AromaticContact CZ-CE1 3.95Å; F625-Y686 HydrophobicContact CZ-CE1 3.95Å; F625-F689 AromaticContact CE1-CD2 3.64Å; F625-F689 HydrophobicContact CE1-CD2 3.64Å; F625-F689 AromaticContact CE1-CE2 3.68Å; F625-F689 HydrophobicContact CE1-CE2 3.68Å; F625-F689 HydrophobicContact CE1-CG 4.11Å; F625-F689 HydrophobicContact CE1-CZ 4.18Å; F625-F689 AromaticContact CZ-CD1 3.97Å; F625-F689 HydrophobicContact CZ-CD1 3.97Å; F625-F689 AromaticContact CZ-CD2 3.84Å; F625-F689 HydrophobicContact CZ-CD2 3.84Å; F625-F689 AromaticContact CZ-CE1 3.89Å; F625-F689 HydrophobicContact CZ-CE1 3.89Å; F625-F689 AromaticContact CZ-CE2 3.75Å; F625-F689 HydrophobicContact CZ-CE2 3.75Å; F625-F689 AromaticContact CZ-CG 3.95Å; F625-F689 HydrophobicContact CZ-CG 3.95Å; F625-F689 AromaticContact CZ-CZ 3.78Å; F625-F689 HydrophobicContact CZ-CZ 3.78Å; F625-W729 HydrophobicContact CD1-CB 4.43Å; F625-L730 PolarHBondContact N-O 2.74Å; F625-L730 WeakPolarHBondContact O-CA 3.35Å
626G92.5Very high93.4Very high0 Ų024.2 Ų24.20%014%0.139CC..  trans-86.7-11-17500000115.1Y628 I629 G630 Y631 D634 T705G626-Y628 VanDerWaalsContact C-N 3.28Å; G626-Y628 PolarHBondContact O-N 3.44Å; G626-Y628 VanDerWaalsContact O-N 3.13Å; G626-I629 PolarHBondContact O-N 2.96Å; G626-I629 VanDerWaalsContact O-N 3.17Å; G626-G630 PolarHBondContact O-N 3.22Å; G626-Y631 PolarHBondContact O-N 3.46Å; G626-Y631 VanDerWaalsContact O-N 3.11Å; G626-D634 WeakPolarHBondContact CA-OD2 3.17Å; G626-D634 VanDerWaalsContact N-CB 3.3Å; G626-D634 PolarHBondContact N-OD2 3.47Å; G626-T705 PolarHBondContact O-OG1 3.31Å
627G90.4Very high93.4Very high0 Ų027 Ų270%015%0.154CC..THydrogen-bonded Turntrans-66.6-17.5-162.400000116.5D703 R704G627-D703 WeakPolarHBondContact CA-OD1 3.5Å; G627-R704 PolarHBondContact O-N 2.95Å
628Y89.5Confident93.4Very high80 Ų8024.4 Ų24.431%0.31414%0.138SC..THydrogen-bonded Turntrans-76.9-41.2174.1-172.9-81.5000112.5G626 F689 V692 L694 R704 H728G626-Y628 VanDerWaalsContact C-N 3.28Å; G626-Y628 PolarHBondContact O-N 3.44Å; G626-Y628 VanDerWaalsContact O-N 3.13Å; Y628-F689 HydrophobicContact CD2-CE2 4.39Å; Y628-V692 HydrophobicContact CD2-CG1 4.25Å; Y628-V692 HydrophobicContact CE2-CG1 4Å; Y628-L694 HydrophobicContact CD2-CD2 3.32Å; Y628-L694 HydrophobicContact CE2-CD2 3.42Å; Y628-L694 VanDerWaalsContact CE2-CD2 3.42Å; Y628-L694 HydrophobicContact CG-CD2 3.89Å; Y628-R704 WeakPolarHBondContact O-CD 3.25Å; Y628-R704 PolarHBondContact O-NH1 2.91Å; Y628-H728 WeakPolarHBondContact CB-O 3.35Å; Y628-H728 HydrophobicContact CD1-CB 4.46Å
629I88.9Confident93.4Very high48 Ų4824 Ų2425%0.24614%0.136CC..THydrogen-bonded Turntrans-100.1-18.8-176.258.8171.9000114.2L545 G626 H728 L730L545-I629 HydrophobicContact CD1-CD1 3.94Å; L545-I629 HydrophobicContact CD1-CG2 4.38Å; G626-I629 PolarHBondContact O-N 2.96Å; G626-I629 VanDerWaalsContact O-N 3.17Å; I629-H728 HydrophobicContact CG2-CB 3.74Å; I629-L730 HydrophobicContact CD1-CD1 3.68Å; I629-L730 HydrophobicContact CD1-CG 4.21Å
630G88.7Confident93.2Very high38 Ų3823.5 Ų23.539%0.39213%0.133SC..THydrogen-bonded Turntrans90.424.7-172.200000114.1G626 T705G626-G630 PolarHBondContact O-N 3.22Å; G630-T705 VanDerWaalsContact CA-OG1 3.28Å; G630-T705 WeakPolarHBondContact CA-OG1 3.15Å
631Y90.4Very high93Very high49 Ų4925.4 Ų25.419%0.19214%0.14CC..  trans-74.7127.8178.8-179.4-110.8000110.6L533 I624 G626 G633 D634 T705L533-Y631 HydrophobicContact CD1-CD2 3.56Å; L533-Y631 HydrophobicContact CD1-CE2 3.67Å; L533-Y631 HydrophobicContact CD1-CG 4.31Å; L533-Y631 HydrophobicContact CD2-CE2 4.1Å; I624-Y631 HydrophobicContact CG2-CD1 4.46Å; I624-Y631 HydrophobicContact CG2-CE1 4.35Å; G626-Y631 PolarHBondContact O-N 3.46Å; G626-Y631 VanDerWaalsContact O-N 3.11Å; Y631-G633 VanDerWaalsContact CE1-CA 3.49Å; Y631-D634 HydrophobicContact CD1-CB 4.26Å; Y631-T705 PolarHBondContact N-OG1 3.5Å; Y631-T705 WeakPolarHBondContact O-CG2 3.4Å; Y631-T705 PolarHBondContact O-OG1 3.14Å
632S88.3Confident92.9Very high87 Ų8725.4 Ų25.461%0.60814%0.14SC*.SBendtrans-89.2-15.2-173.554.80000114.5D634 N637S632-D634 VanDerWaalsContact C-N 3.33Å; S632-D634 PolarHBondContact O-N 3.03Å; S632-N637 PolarHBondContact O-ND2 3.45Å
633G87.2Confident92.8Very high20 Ų2025.5 Ų25.521%0.20614%0.14CC..SBendtrans-90.820.6-177.700000115Y631 K638Y631-G633 VanDerWaalsContact CE1-CA 3.49Å; G633-K638 WeakPolarHBondContact O-CE 3.49Å; G633-K638 PolarHBondContact O-NZ 3.32Å
634D93.9Very high92.5Very high0 Ų029.3 Ų29.30%016%0.155CC..SBendtrans-82.6173.6-17481.6-3.1000114I624 G626 Y631 S632 I636 N637 K638 R706I624-D634 HydrophobicContact CG2-CB 4.04Å; G626-D634 WeakPolarHBondContact CA-OD2 3.17Å; G626-D634 VanDerWaalsContact N-CB 3.3Å; G626-D634 PolarHBondContact N-OD2 3.47Å; Y631-D634 HydrophobicContact CD1-CB 4.26Å; S632-D634 VanDerWaalsContact C-N 3.33Å; S632-D634 PolarHBondContact O-N 3.03Å; D634-I636 VanDerWaalsContact C-N 3.32Å; D634-I636 PolarHBondContact O-N 3.39Å; D634-I636 PolarHBondContact OD1-N 2.88Å; D634-N637 PolarHBondContact O-N 3.21Å; D634-N637 PolarHBondContact OD1-N 2.91Å; D634-K638 WeakPolarHBondContact O-CG 3.16Å; D634-K638 PolarHBondContact O-N 2.96Å; D634-R706 IonicContact OD1-CZ 3.68Å; D634-R706 IonicContact OD1-NH1 3.17Å; D634-R706 IonicContact OD1-NH2 3.37Å; D634-R706 PolarHBondContact OD1-NH2 3.26Å; D634-R706 IonicContact OD2-CZ 2.74Å; D634-R706 IonicContact OD2-NH1 3.89Å; D634-R706 PolarHBondContact OD2-NH1 3.33Å; D634-R706 IonicContact OD2-NH2 2.8Å; D634-R706 PolarHBondContact OD2-NH2 3.39Å
635D95.9Very high92.4Very high0 Ų029.8 Ų29.80%016%0.157CC..Hα-helixtrans-73.8-22.3-174.5-66.9-25.4000113.2Y571 V623 I624 K638 F639 M642 M681Y571-D635 VanDerWaalsContact CE2-OD1 3.24Å; Y571-D635 WeakPolarHBondContact CE2-OD1 3.2Å; Y571-D635 PolarHBondContact OH-OD1 2.84Å; V623-D635 WeakPolarHBondContact CA-OD2 3.45Å; I624-D635 PolarHBondContact N-OD2 2.87Å; I624-D635 PolarHBondContact O-N 3.45Å; D635-K638 CarbonylContact O-C 3.59Å; D635-K638 PolarHBondContact O-N 2.99Å; D635-F639 WeakPolarHBondContact O-CA 3.29Å; D635-F639 WeakPolarHBondContact O-CB 3.38Å; D635-F639 PolarHBondContact O-N 3.32Å; D635-M642 HydrophobicContact CB-CE 3.89Å; D635-M681 HydrophobicContact CB-CE 3.92Å; D635-M681 HydrophobicContact CB-SD 3.85Å
636I95.4Very high92.2Very high0 Ų029.8 Ų29.80%016%0.157CC..Hα-helixtrans-69.7-34.1174.9-66-63.1000111.6D634 Y666 I668 M681 S685 Y686D634-I636 VanDerWaalsContact C-N 3.32Å; D634-I636 PolarHBondContact O-N 3.39Å; D634-I636 PolarHBondContact OD1-N 2.88Å; I636-Y666 PolarHBondContact O-OH 3.18Å; I636-I668 HydrophobicContact CG2-CG2 4.25Å; I636-M681 HydrophobicContact CD1-CG 4.04Å; I636-S685 WeakPolarHBondContact CD1-OG 2.98Å; I636-Y686 HydrophobicContact CD1-CE2 3.9Å; I636-Y686 HydrophobicContact CG1-CE2 4.23Å
637N93.5Very high92.1Very high72 Ų7230.5 Ų30.539%0.38517%0.165SC..Hα-helixtrans-76.1-32.3171.5-78-4.6000112.3S632 D634 R706S632-N637 PolarHBondContact O-ND2 3.45Å; D634-N637 PolarHBondContact O-N 3.21Å; D634-N637 PolarHBondContact OD1-N 2.91Å; N637-R706 PolarHBondContact ND2-NH2 3.16Å; N637-R706 PolarHBondContact OD1-NE 3.04Å; N637-R706 PolarHBondContact OD1-NH2 3.21Å
638K93.1Very high92.1Very high38 Ų3833.1 Ų33.117%0.16519%0.191CC..Hα-helixtrans-78.8-20176.5-64.9173.6-173.8179.40113.7D570 Y571 G633 D634 D635 L640 W641 M642D570-K638 WeakPolarHBondContact OD2-CE 3.3Å; D570-K638 IonicContact OD2-NZ 2.69Å; D570-K638 PolarHBondContact OD2-NZ 3.31Å; Y571-K638 PolarHBondContact OH-NZ 2.88Å; G633-K638 WeakPolarHBondContact O-CE 3.49Å; G633-K638 PolarHBondContact O-NZ 3.32Å; D634-K638 WeakPolarHBondContact O-CG 3.16Å; D634-K638 PolarHBondContact O-N 2.96Å; D635-K638 CarbonylContact O-C 3.59Å; D635-K638 PolarHBondContact O-N 2.99Å; K638-L640 VanDerWaalsContact C-N 3.25Å; K638-L640 PolarHBondContact O-N 3.5Å; K638-W641 WeakPolarHBondContact O-CB 3.38Å; K638-W641 PolarHBondContact O-N 3.13Å; K638-M642 HydrophobicContact CB-CE 4.17Å
639F95.1Very high92.1Very high0 Ų034.4 Ų34.40%020%0.2CC..Hα-helixtrans-48.9-39.8-170.5-179.9-110.7000114.5A603 D635 W641 M642 V643 F659 Y666 M676 C679 M681A603-F639 HydrophobicContact CB-CE2 4.08Å; A603-F639 HydrophobicContact CB-CZ 4.1Å; D635-F639 WeakPolarHBondContact O-CA 3.29Å; D635-F639 WeakPolarHBondContact O-CB 3.38Å; D635-F639 PolarHBondContact O-N 3.32Å; F639-W641 PolarHBondContact O-N 3.38Å; F639-M642 HydrophobicContact CD2-SD 4.33Å; F639-M642 WeakPolarHBondContact O-CA 3.36Å; F639-M642 VanDerWaalsContact O-CB 3.28Å; F639-M642 WeakPolarHBondContact O-CB 3.1Å; F639-M642 PolarHBondContact O-N 2.82Å; F639-V643 HydrophobicContact CD1-CG2 4.01Å; F639-V643 HydrophobicContact CE1-CG2 3.46Å; F639-V643 VanDerWaalsContact CE1-CG2 3.46Å; F639-V643 HydrophobicContact CE2-CG2 4.03Å; F639-V643 HydrophobicContact CG-CG2 4.5Å; F639-V643 HydrophobicContact CZ-CG2 3.46Å; F639-V643 VanDerWaalsContact CZ-CG2 3.46Å; F639-V643 PolarHBondContact O-N 2.93Å; F639-F659 AromaticContact CE1-CD1 3.66Å; F639-F659 HydrophobicContact CE1-CD1 3.66Å; F639-F659 HydrophobicContact CE1-CE1 4.02Å; F639-F659 HydrophobicContact CE1-CG 4.17Å; F639-F659 AromaticContact CZ-CD1 3.87Å; F639-F659 HydrophobicContact CZ-CD1 3.87Å; F639-F659 AromaticContact CZ-CE1 3.72Å; F639-F659 HydrophobicContact CZ-CE1 3.72Å; F639-F659 HydrophobicContact CZ-CZ 4.39Å; F639-Y666 HydrophobicContact CD1-CE2 4.2Å; F639-M676 HydrophobicContact CD1-CE 3.98Å; F639-M676 HydrophobicContact CD1-SD 3.93Å; F639-M676 HydrophobicContact CE1-CE 4.15Å; F639-M676 HydrophobicContact CE1-SD 3.52Å; F639-M676 VanDerWaalsContact CE1-SD 3.52Å; F639-M676 HydrophobicContact CZ-SD 4.3Å; F639-C679 WeakPolarHBondContact CZ-SG 3.49Å; F639-M681 HydrophobicContact CD2-CB 3.75Å; F639-M681 HydrophobicContact CD2-CG 3.78Å; F639-M681 HydrophobicContact CE2-CB 3.74Å; F639-M681 HydrophobicContact CE2-CG 4.3Å; F639-M681 HydrophobicContact CG-CG 4.5Å
640L93.2Very high92.2Very high33 Ų3334.4 Ų34.417%0.17320%0.199CC..Hα-helixtrans-62.8-26.4-179.9-161.364.6000112.9K638 R644 E656K638-L640 VanDerWaalsContact C-N 3.25Å; K638-L640 PolarHBondContact O-N 3.5Å; L640-R644 VanDerWaalsContact CD2-NH2 3.34Å; L640-R644 VanDerWaalsContact O-CG 3.28Å; L640-R644 WeakPolarHBondContact O-CG 3.45Å; L640-R644 PolarHBondContact O-N 3.39Å; L640-R644 VanDerWaalsContact O-N 3.09Å; L640-E656 HydrophobicContact CD1-CG 3.68Å; L640-E656 HydrophobicContact CG-CG 4.48Å
641W93.4Very high92.2Very high69 Ų6936 Ų3626%0.26120%0.203SC..Hα-helixtrans-75-34.8170.3-66.6113.2000112.7P347 K638 F639 V643 R644 I645P347-W641 HydrophobicContact CB-CZ3 4.4Å; K638-W641 WeakPolarHBondContact O-CB 3.38Å; K638-W641 PolarHBondContact O-N 3.13Å; F639-W641 PolarHBondContact O-N 3.38Å; W641-V643 VanDerWaalsContact C-N 3.33Å; W641-R644 PolarHBondContact O-N 3.38Å; W641-I645 WeakPolarHBondContact O-CB 3.44Å; W641-I645 VanDerWaalsContact O-CG1 3.32Å; W641-I645 WeakPolarHBondContact O-CG1 3.35Å; W641-I645 PolarHBondContact O-N 3.36Å
642M94.8Very high92.2Very high0 Ų040.7 Ų40.70%023%0.231CC..Hα-helixtrans-61.6-44.2173.1-47.5-173.2-172.400110.6W568 M602 D635 K638 F639 I645 G646 M681W568-M642 HydrophobicContact CB-CE 3.97Å; W568-M642 HydrophobicContact CD2-CE 3.8Å; W568-M642 HydrophobicContact CD2-CG 3.87Å; W568-M642 HydrophobicContact CD2-SD 4.13Å; W568-M642 HydrophobicContact CE3-CB 4.42Å; W568-M642 HydrophobicContact CE3-CE 4.21Å; W568-M642 HydrophobicContact CE3-CG 3.72Å; W568-M642 HydrophobicContact CE3-SD 3.93Å; W568-M642 HydrophobicContact CG-CE 3.68Å; W568-M642 HydrophobicContact CH2-CB 4.01Å; W568-M642 HydrophobicContact CH2-CG 3.8Å; W568-M642 HydrophobicContact CZ2-CG 3.91Å; W568-M642 HydrophobicContact CZ3-CB 3.96Å; W568-M642 HydrophobicContact CZ3-CG 3.7Å; W568-M642 HydrophobicContact CZ3-SD 4.4Å; M602-M642 HydrophobicContact CB-SD 4.04Å; M602-M642 HydrophobicContact CG-SD 4.27Å; D635-M642 HydrophobicContact CB-CE 3.89Å; K638-M642 HydrophobicContact CB-CE 4.17Å; F639-M642 HydrophobicContact CD2-SD 4.33Å; F639-M642 WeakPolarHBondContact O-CA 3.36Å; F639-M642 VanDerWaalsContact O-CB 3.28Å; F639-M642 WeakPolarHBondContact O-CB 3.1Å; F639-M642 PolarHBondContact O-N 2.82Å; M642-I645 PolarHBondContact O-N 2.95Å; M642-G646 PolarHBondContact O-N 3.48Å; M642-M681 HydrophobicContact CE-CE 3.97Å; M642-M681 HydrophobicContact SD-CE 3.81Å
643V94.2Very high92.3Very high1 Ų141.9 Ų41.91%0.00623%0.227CC..Hα-helixtrans-61.6-43.5174.5174.10000111.8A603 F639 W641 G647 I654 E656 F659A603-V643 HydrophobicContact CB-CG2 3.99Å; F639-V643 HydrophobicContact CD1-CG2 4.01Å; F639-V643 HydrophobicContact CE1-CG2 3.46Å; F639-V643 VanDerWaalsContact CE1-CG2 3.46Å; F639-V643 HydrophobicContact CE2-CG2 4.03Å; F639-V643 HydrophobicContact CG-CG2 4.5Å; F639-V643 HydrophobicContact CZ-CG2 3.46Å; F639-V643 VanDerWaalsContact CZ-CG2 3.46Å; F639-V643 PolarHBondContact O-N 2.93Å; W641-V643 VanDerWaalsContact C-N 3.33Å; V643-G647 WeakPolarHBondContact O-CA 3.22Å; V643-G647 PolarHBondContact O-N 2.84Å; V643-I654 HydrophobicContact CG1-CG2 3.94Å; V643-E656 HydrophobicContact CG1-CB 4.19Å; V643-E656 HydrophobicContact CG1-CG 4.46Å; V643-F659 HydrophobicContact CG1-CD2 3.71Å; V643-F659 HydrophobicContact CG1-CE2 3.73Å; V643-F659 HydrophobicContact CG2-CD2 4.02Å; V643-F659 HydrophobicContact CG2-CE2 3.94Å; V643-F659 HydrophobicContact CG2-CG 4.36Å; V643-F659 HydrophobicContact CG2-CZ 4.2Å
644R92.7Very high92.5Very high81 Ų8141.3 Ų41.331%0.30622%0.219SC..Hα-helixtrans-67.1-42.2177.8-76.7170.1-175.5153.57.8113.6L640 W641 G648 E656L640-R644 VanDerWaalsContact CD2-NH2 3.34Å; L640-R644 VanDerWaalsContact O-CG 3.28Å; L640-R644 WeakPolarHBondContact O-CG 3.45Å; L640-R644 PolarHBondContact O-N 3.39Å; L640-R644 VanDerWaalsContact O-N 3.09Å; W641-R644 PolarHBondContact O-N 3.38Å; R644-G648 PolarHBondContact O-N 2.99Å; R644-E656 WeakPolarHBondContact CG-OE2 3.5Å; R644-E656 IonicContact CZ-OE1 3.32Å; R644-E656 IonicContact CZ-OE2 3.25Å; R644-E656 VanDerWaalsContact NE-CD 3.31Å; R644-E656 IonicContact NE-OE1 2.68Å; R644-E656 PolarHBondContact NE-OE1 3.45Å; R644-E656 IonicContact NE-OE2 2.73Å; R644-E656 PolarHBondContact NE-OE2 3.39Å; R644-E656 IonicContact NH2-OE1 3.08Å; R644-E656 PolarHBondContact NH2-OE1 2.73Å; R644-E656 IonicContact NH2-OE2 3.82Å
645I92.6Very high92.4Very high10 Ų1047.8 Ų47.85%0.05124%0.244CC..Hα-helixtrans-72.5-44.4-179.5-66.5163.1000109.9P347 I348 W568 I595 A596 W641 M642 G648P347-I645 HydrophobicContact CB-CG1 4.45Å; P347-I645 HydrophobicContact CG-CG1 4.18Å; I348-I645 HydrophobicContact CB-CD1 4.12Å; I348-I645 HydrophobicContact CD1-CD1 4.26Å; I348-I645 HydrophobicContact CG1-CD1 3.98Å; W568-I645 HydrophobicContact CH2-CD1 3.96Å; W568-I645 HydrophobicContact CZ2-CD1 3.92Å; I595-I645 HydrophobicContact CG2-CG2 4.05Å; A596-I645 HydrophobicContact CB-CG2 4.21Å; A596-I645 WeakPolarHBondContact CB-O 3.45Å; W641-I645 WeakPolarHBondContact O-CB 3.44Å; W641-I645 VanDerWaalsContact O-CG1 3.32Å; W641-I645 WeakPolarHBondContact O-CG1 3.35Å; W641-I645 PolarHBondContact O-N 3.36Å; M642-I645 PolarHBondContact O-N 2.95Å; I645-G648 PolarHBondContact O-N 3.08Å
646G92.4Very high92.2Very high0 Ų051 Ų510%026%0.258CS..Hα-helixtrans-61.6-48.2173.700000113M642 G648 E649 H650M642-G646 PolarHBondContact O-N 3.48Å; G646-G648 VanDerWaalsContact C-N 3.27Å; G646-G648 PolarHBondContact O-N 2.68Å; G646-E649 PolarHBondContact O-N 2.61Å; G646-H650 WeakPolarHBondContact O-CB 3.3Å; G646-H650 PolarHBondContact O-N 2.85Å
647G90.9Very high92.1Very high15 Ų1560.9 Ų60.916%0.15530%0.296CS..Hα-helixtrans-70.4-16.5178.500000114.9V643 P651V643-G647 WeakPolarHBondContact O-CA 3.22Å; V643-G647 PolarHBondContact O-N 2.84Å; G647-P651 VanDerWaalsContact O-CA 3.25Å; G647-P651 WeakPolarHBondContact O-CA 3.47Å; G647-P651 WeakPolarHBondContact O-CB 3.37Å; G647-P651 WeakPolarHBondContact O-CD 3.38Å
648G89.5Confident92.1Very high54 Ų5460.8 Ų60.856%0.55730%0.295SS*.Hα-helixtrans-69.1-44.717400000112.7R644 I645 G646R644-G648 PolarHBondContact O-N 2.99Å; I645-G648 PolarHBondContact O-N 3.08Å; G646-G648 VanDerWaalsContact C-N 3.27Å; G646-G648 PolarHBondContact O-N 2.68Å
649E89.9Confident92.1Very high108 Ų10859.3 Ų59.351%0.50529%0.289SS..Hα-helixtrans-86.3-25.7175.6-59.7-72.914500112.2A596 G646 P651A596-E649 HydrophobicContact CB-CB 3.81Å; A596-E649 HydrophobicContact CB-CG 3.54Å; G646-E649 PolarHBondContact O-N 2.61Å; E649-P651 WeakPolarHBondContact O-CD 3.42Å
650H91Very high92Very high47 Ų4761.1 Ų61.122%0.21830%0.299CS..  trans-126.255.9-175.5-56.1-40.5000114.4G646 N652 E653 I654G646-H650 WeakPolarHBondContact O-CB 3.3Å; G646-H650 PolarHBondContact O-N 2.85Å; H650-N652 PolarHBondContact O-N 3Å; H650-N652 VanDerWaalsContact O-N 3.08Å; H650-E653 WeakPolarHBondContact CB-OE2 3.36Å; H650-E653 IonicContact CG-OE2 3.78Å; H650-E653 PolarHBondContact O-N 3.02Å; H650-I654 PolarHBondContact O-N 3.04Å
651P89Confident92Very high73 Ų7360.4 Ų60.447%0.47430%0.296SS..THydrogen-bonded Turntrans-67.2-12.8-17327.9-37.4000115.3G647 E649G647-P651 VanDerWaalsContact O-CA 3.25Å; G647-P651 WeakPolarHBondContact O-CA 3.47Å; G647-P651 WeakPolarHBondContact O-CB 3.37Å; G647-P651 WeakPolarHBondContact O-CD 3.38Å; E649-P651 WeakPolarHBondContact O-CD 3.42Å
652N90.2Very high91.8Very high146 Ų14663.5 Ų63.578%0.78133%0.328SS*.THydrogen-bonded Turntrans-81.3-24.1175.4-71.2-26.2000112.9H650H650-N652 PolarHBondContact O-N 3Å; H650-N652 VanDerWaalsContact O-N 3.08Å
653E89.8Confident91.6Very high113 Ų11368.6 Ų68.653%0.52836%0.359SS..THydrogen-bonded Turntrans-106.2-35-173-60.3174.3130.400112K600 H650K600-E653 VanDerWaalsContact CE-OE2 3.26Å; K600-E653 WeakPolarHBondContact CE-OE2 3.34Å; K600-E653 IonicContact NZ-OE1 3.49Å; K600-E653 PolarHBondContact NZ-OE1 2.84Å; K600-E653 IonicContact NZ-OE2 2.92Å; K600-E653 PolarHBondContact NZ-OE2 3.46Å; H650-E653 WeakPolarHBondContact CB-OE2 3.36Å; H650-E653 IonicContact CG-OE2 3.78Å; H650-E653 PolarHBondContact O-N 3.02Å
654I92.1Very high91.4Very high8 Ų870.6 Ų70.64%0.04138%0.38CS..  trans-128.7130.5-174.2-70.7167.4000110K600 A603 V643 H650 F659K600-I654 VanDerWaalsContact CA-CD1 3.45Å; K600-I654 HydrophobicContact CB-CD1 3.74Å; K600-I654 HydrophobicContact CG-CD1 3.86Å; A603-I654 HydrophobicContact CB-CD1 4.04Å; V643-I654 HydrophobicContact CG1-CG2 3.94Å; H650-I654 PolarHBondContact O-N 3.04Å; I654-F659 HydrophobicContact CG2-CE2 4.25Å
655R91.9Very high91.4Very high136 Ų13669.6 Ų69.651%0.51338%0.38SS..  trans-138127.5-179.2-62.3173.6178.5168.20.2109.8R657 D658 F659R655-R657 PolarHBondContact O-N 3.2Å; R655-D658 PolarHBondContact O-N 2.94Å; R655-F659 WeakPolarHBondContact O-CD2 3.23Å
656E91.7Very high91.4Very high66 Ų6672.6 Ų72.631%0.30839%0.392SS..G310 helixtrans-56.2-39.1-177-171.3176.4156.600112.8L640 V643 R644 D658 F659L640-E656 HydrophobicContact CD1-CG 3.68Å; L640-E656 HydrophobicContact CG-CG 4.48Å; V643-E656 HydrophobicContact CG1-CB 4.19Å; V643-E656 HydrophobicContact CG1-CG 4.46Å; R644-E656 WeakPolarHBondContact CG-OE2 3.5Å; R644-E656 IonicContact CZ-OE1 3.32Å; R644-E656 IonicContact CZ-OE2 3.25Å; R644-E656 VanDerWaalsContact NE-CD 3.31Å; R644-E656 IonicContact NE-OE1 2.68Å; R644-E656 PolarHBondContact NE-OE1 3.45Å; R644-E656 IonicContact NE-OE2 2.73Å; R644-E656 PolarHBondContact NE-OE2 3.39Å; R644-E656 IonicContact NH2-OE1 3.08Å; R644-E656 PolarHBondContact NH2-OE1 2.73Å; R644-E656 IonicContact NH2-OE2 3.82Å; E656-D658 PolarHBondContact O-N 3.32Å; E656-F659 PolarHBondContact O-N 3.21Å
657R92.7Very high91.4Very high209 Ų20977.5 Ų77.579%0.78941%0.41SS*.G310 helixtrans-57.6-31.7179.1-173.7175.3-176.3173.72.2113.4R655 F659 L660R655-R657 PolarHBondContact O-N 3.2Å; R657-F659 PolarHBondContact O-N 3.07Å; R657-L660 PolarHBondContact O-N 3.4Å
658D93.4Very high91.4Very high70 Ų7076.9 Ų76.937%0.37440%0.403SS..G310 helixtrans-77.8-13-170.3-60.4-8.6000112R655 E656 S673 T675R655-D658 PolarHBondContact O-N 2.94Å; E656-D658 PolarHBondContact O-N 3.32Å; D658-S673 WeakPolarHBondContact O-CB 3.31Å; D658-S673 PolarHBondContact O-OG 3.41Å; D658-T675 HydrophobicContact CB-CG2 4.5Å; D658-T675 WeakPolarHBondContact O-CB 3.33Å; D658-T675 PolarHBondContact O-OG1 2.84Å
659F94Very high91.5Very high7 Ų776.1 Ų76.13%0.03139%0.387CS..G310 helixtrans-92.8-16.3173.4-61.4-88.2000113.5A603 F639 V643 I654 R655 E656 R657 T675 M676 C679A603-F659 HydrophobicContact CB-CZ 4.13Å; A603-F659 WeakPolarHBondContact O-CE1 3.49Å; A603-F659 WeakPolarHBondContact O-CZ 3.21Å; F639-F659 AromaticContact CE1-CD1 3.66Å; F639-F659 HydrophobicContact CE1-CD1 3.66Å; F639-F659 HydrophobicContact CE1-CE1 4.02Å; F639-F659 HydrophobicContact CE1-CG 4.17Å; F639-F659 AromaticContact CZ-CD1 3.87Å; F639-F659 HydrophobicContact CZ-CD1 3.87Å; F639-F659 AromaticContact CZ-CE1 3.72Å; F639-F659 HydrophobicContact CZ-CE1 3.72Å; F639-F659 HydrophobicContact CZ-CZ 4.39Å; V643-F659 HydrophobicContact CG1-CD2 3.71Å; V643-F659 HydrophobicContact CG1-CE2 3.73Å; V643-F659 HydrophobicContact CG2-CD2 4.02Å; V643-F659 HydrophobicContact CG2-CE2 3.94Å; V643-F659 HydrophobicContact CG2-CG 4.36Å; V643-F659 HydrophobicContact CG2-CZ 4.2Å; I654-F659 HydrophobicContact CG2-CE2 4.25Å; R655-F659 WeakPolarHBondContact O-CD2 3.23Å; E656-F659 PolarHBondContact O-N 3.21Å; R657-F659 PolarHBondContact O-N 3.07Å; F659-T675 HydrophobicContact CD1-CG2 4.17Å; F659-T675 HydrophobicContact CE1-CG2 3.83Å; F659-T675 HydrophobicContact CZ-CG2 4.02Å; F659-M676 HydrophobicContact CD1-CB 4.43Å; F659-M676 HydrophobicContact CD1-SD 4.14Å; F659-C679 HydrophobicContact CE1-CB 4.37Å
660L93.6Very high91.6Very high38 Ų3877.8 Ų77.820%0.19939%0.392CS..SBendtrans-84.1159.8177.9-57.4176.9000110.9R657 D665R657-L660 PolarHBondContact O-N 3.4Å; L660-D665 CarbonylContact C-O 3.53Å; L660-D665 WeakPolarHBondContact CA-O 3.45Å
661T92.5Very high91.6Very high18 Ų1878.3 Ų78.311%0.1140%0.401CS..  trans-66.1169.2169.5660000111.3T663 G664 D665 R667 S671T661-T663 PolarHBondContact O-N 3.48Å; T661-T663 VanDerWaalsContact O-N 3.15Å; T661-T663 PolarHBondContact OG1-N 3.21Å; T661-T663 PolarHBondContact OG1-OG1 3.08Å; T661-G664 PolarHBondContact O-N 3.03Å; T661-G664 PolarHBondContact OG1-N 3.46Å; T661-D665 HydrophobicContact CG2-CB 4.1Å; T661-D665 PolarHBondContact N-O 3.15Å; T661-D665 WeakPolarHBondContact OG1-CB 3.45Å; T661-D665 PolarHBondContact OG1-N 3.49Å; T661-R667 HydrophobicContact CG2-CB 4.35Å; T661-R667 HydrophobicContact CG2-CG 4.08Å; T661-S671 VanDerWaalsContact CG2-O 3.26Å; T661-S671 WeakPolarHBondContact CG2-O 3.27Å
662S88.7Confident91.7Very high134 Ų13475.3 Ų75.394%0.93738%0.382SS*.THydrogen-bonded Turntrans-60.5-19.7170.653.70000114.1
663T90.2Very high91.9Very high106 Ų10669.5 Ų69.565%0.6535%0.353SS*.THydrogen-bonded Turntrans-85.1-12.9171.551.20000113.8T661 D665T661-T663 PolarHBondContact O-N 3.48Å; T661-T663 VanDerWaalsContact O-N 3.15Å; T661-T663 PolarHBondContact OG1-N 3.21Å; T661-T663 PolarHBondContact OG1-OG1 3.08Å; T663-D665 PolarHBondContact OG1-OD2 2.77Å
664G90.6Very high92Very high43 Ų4371.1 Ų71.144%0.44336%0.361SS..SBendtrans92.58.3-175.300000114.9T661T661-G664 PolarHBondContact O-N 3.03Å; T661-G664 PolarHBondContact OG1-N 3.46Å
665D92Very high92.1Very high61 Ų6173.7 Ų73.733%0.32638%0.377SS..  trans-77.9146.8177.3-56.1-36.9000111.1L660 T661 T663 R667L660-D665 CarbonylContact C-O 3.53Å; L660-D665 WeakPolarHBondContact CA-O 3.45Å; T661-D665 HydrophobicContact CG2-CB 4.1Å; T661-D665 PolarHBondContact N-O 3.15Å; T661-D665 WeakPolarHBondContact OG1-CB 3.45Å; T661-D665 PolarHBondContact OG1-N 3.49Å; T663-D665 PolarHBondContact OG1-OD2 2.77Å; D665-R667 HydrophobicContact CB-CG 3.9Å; D665-R667 IonicContact OD2-CZ 2.76Å; D665-R667 IonicContact OD2-NE 3.52Å; D665-R667 PolarHBondContact OD2-NE 3.36Å; D665-R667 VanDerWaalsContact OD2-NE 3.08Å; D665-R667 IonicContact OD2-NH2 3.74Å; D665-R667 PolarHBondContact OD2-NH2 3.07Å
666Y93.1Very high92.1Very high73 Ų7367.2 Ų67.229%0.28635%0.353SS..  trans-92.2119.3163-179.3-120.8000109.1I636 F639 M676I636-Y666 PolarHBondContact O-OH 3.18Å; F639-Y666 HydrophobicContact CD1-CE2 4.2Å; Y666-M676 HydrophobicContact CE2-CE 3.77Å; Y666-M676 HydrophobicContact CE2-SD 4.05Å; Y666-M676 WeakPolarHBondContact OH-CE 3.26Å
667R92.4Very high92.2Very high102 Ų10264.8 Ų64.839%0.38534%0.342SS..  trans-140157-176-60.6-173.7-175.4-1392.5111.2T661 D665 D669 S671 A672T661-R667 HydrophobicContact CG2-CB 4.35Å; T661-R667 HydrophobicContact CG2-CG 4.08Å; D665-R667 HydrophobicContact CB-CG 3.9Å; D665-R667 IonicContact OD2-CZ 2.76Å; D665-R667 IonicContact OD2-NE 3.52Å; D665-R667 PolarHBondContact OD2-NE 3.36Å; D665-R667 VanDerWaalsContact OD2-NE 3.08Å; D665-R667 IonicContact OD2-NH2 3.74Å; D665-R667 PolarHBondContact OD2-NH2 3.07Å; R667-D669 IonicContact NH1-OD2 2.75Å; R667-S671 WeakPolarHBondContact CD-OG 3.37Å; R667-A672 HydrophobicContact CB-CB 4.38Å; R667-A672 WeakPolarHBondContact O-CB 3.41Å
668I92Very high92.3Very high3 Ų358 Ų582%0.01532%0.321CS..  trans-116.90.3174.561.4157.5000112.7I636 Y682 Y686 D703 R706 S708 I710 G711I636-I668 HydrophobicContact CG2-CG2 4.25Å; I668-Y682 HydrophobicContact CB-CE2 4.49Å; I668-Y686 HydrophobicContact CD1-CE1 4.34Å; I668-Y686 VanDerWaalsContact CD1-OH 3.29Å; I668-Y686 WeakPolarHBondContact CD1-OH 3.19Å; I668-Y686 HydrophobicContact CG2-CE2 4.39Å; I668-D703 HydrophobicContact CD1-CB 3.8Å; I668-R706 HydrophobicContact CD1-CB 3.76Å; I668-R706 HydrophobicContact CD1-CG 3.79Å; I668-R706 HydrophobicContact CG1-CB 4.13Å; I668-R706 HydrophobicContact CG1-CG 4.07Å; I668-S708 WeakPolarHBondContact CD1-OG 3.41Å; I668-S708 VanDerWaalsContact CG1-OG 3.24Å; I668-S708 WeakPolarHBondContact CG1-OG 3.38Å; I668-I710 HydrophobicContact CD1-CG2 4.38Å; I668-G711 PolarHBondContact O-N 2.91Å
669D91.6Very high92.3Very high38 Ų3854.7 Ų54.720%0.20330%0.303CS..SBendtrans-84.1-168.8-175.668.715.8000111.9R667 S671 A672 E709 G711R667-D669 IonicContact NH1-OD2 2.75Å; D669-S671 PolarHBondContact O-N 3.1Å; D669-S671 VanDerWaalsContact O-N 3.14Å; D669-S671 WeakPolarHBondContact OD1-CA 3.44Å; D669-S671 WeakPolarHBondContact OD1-CB 3.36Å; D669-S671 PolarHBondContact OD1-N 3.18Å; D669-S671 PolarHBondContact OD1-OG 2.83Å; D669-S671 PolarHBondContact OD2-OG 3.05Å; D669-A672 WeakPolarHBondContact O-CB 3.48Å; D669-A672 PolarHBondContact O-N 2.92Å; D669-A672 VanDerWaalsContact O-N 3.11Å; D669-A672 PolarHBondContact OD1-N 2.78Å; D669-E709 WeakPolarHBondContact CA-O 3.43Å; D669-E709 WeakPolarHBondContact CB-O 3.47Å; D669-G711 WeakPolarHBondContact O-CA 3.48Å
670K90.4Very high92.4Very high143 Ų14354.3 Ų54.362%0.62230%0.302SS*.THydrogen-bonded Turntrans-68.3-6.1178.9-64.3171.8-170.8150.30114.1E709K670-E709 WeakPolarHBondContact CE-OE1 3.45Å; K670-E709 IonicContact NZ-OE1 3.25Å; K670-E709 PolarHBondContact NZ-OE1 3.2Å
671S91.7Very high92.5Very high58 Ų5852.5 Ų52.541%0.40629%0.292SS..THydrogen-bonded Turntrans-102.7-1.5173.770.70000113.5T661 R667 D669T661-S671 VanDerWaalsContact CG2-O 3.26Å; T661-S671 WeakPolarHBondContact CG2-O 3.27Å; R667-S671 WeakPolarHBondContact CD-OG 3.37Å; D669-S671 PolarHBondContact O-N 3.1Å; D669-S671 VanDerWaalsContact O-N 3.14Å; D669-S671 WeakPolarHBondContact OD1-CA 3.44Å; D669-S671 WeakPolarHBondContact OD1-CB 3.36Å; D669-S671 PolarHBondContact OD1-N 3.18Å; D669-S671 PolarHBondContact OD1-OG 2.83Å; D669-S671 PolarHBondContact OD2-OG 3.05Å
672A91.6Very high92.6Very high10 Ų1051.7 Ų51.78%0.08329%0.287CS..SBendtrans-59.1152.1170.300000112R667 D669 L677R667-A672 HydrophobicContact CB-CB 4.38Å; R667-A672 WeakPolarHBondContact O-CB 3.41Å; D669-A672 WeakPolarHBondContact O-CB 3.48Å; D669-A672 PolarHBondContact O-N 2.92Å; D669-A672 VanDerWaalsContact O-N 3.11Å; D669-A672 PolarHBondContact OD1-N 2.78Å; A672-L677 HydrophobicContact CB-CD1 4.27Å; A672-L677 HydrophobicContact CB-CD2 4.07Å; A672-L677 HydrophobicContact CB-CG 3.99Å
673S93.7Very high92.9Very high24 Ų2446.4 Ų46.417%0.16825%0.247CC..  trans-57.5143.4175.9175.90000111.8D658 T675 M676 L677D658-S673 WeakPolarHBondContact O-CB 3.31Å; D658-S673 PolarHBondContact O-OG 3.41Å; S673-T675 PolarHBondContact O-N 3.16Å; S673-T675 PolarHBondContact OG-N 3.22Å; S673-T675 PolarHBondContact OG-OG1 2.93Å; S673-M676 WeakPolarHBondContact O-CB 3.44Å; S673-M676 PolarHBondContact O-N 3.33Å; S673-L677 PolarHBondContact O-N 2.77Å
674E92.3Very high93.2Very high146 Ų14641.4 Ų41.468%0.68222%0.216SC*.Hα-helixtrans-58.4-31.4171.6-64.9-162.7160.100111.9L677 N678E674-L677 PolarHBondContact O-N 2.98Å; E674-N678 VanDerWaalsContact O-CB 3.28Å; E674-N678 WeakPolarHBondContact O-CB 3.45Å; E674-N678 VanDerWaalsContact O-CG 3.3Å; E674-N678 PolarHBondContact O-N 3.17Å; E674-N678 PolarHBondContact O-ND2 2.74Å
675T93.3Very high93.4Very high63 Ų6339.3 Ų39.339%0.38720%0.195SC..Hα-helixtrans-61.3-45.1173.5-42.40000110.9D658 F659 S673 N678 C679D658-T675 HydrophobicContact CB-CG2 4.5Å; D658-T675 WeakPolarHBondContact O-CB 3.33Å; D658-T675 PolarHBondContact O-OG1 2.84Å; F659-T675 HydrophobicContact CD1-CG2 4.17Å; F659-T675 HydrophobicContact CE1-CG2 3.83Å; F659-T675 HydrophobicContact CZ-CG2 4.02Å; S673-T675 PolarHBondContact O-N 3.16Å; S673-T675 PolarHBondContact OG-N 3.22Å; S673-T675 PolarHBondContact OG-OG1 2.93Å; T675-N678 PolarHBondContact O-N 2.88Å; T675-C679 WeakPolarHBondContact O-CB 3.4Å; T675-C679 PolarHBondContact O-N 3.01Å
676M93.7Very high93.6Very high0 Ų036.4 Ų36.40%018%0.18CC..Hα-helixtrans-65.1-43.8177.3-174.861.8-173.900111.3F639 F659 Y666 S673 N678 C679 Y682F639-M676 HydrophobicContact CD1-CE 3.98Å; F639-M676 HydrophobicContact CD1-SD 3.93Å; F639-M676 HydrophobicContact CE1-CE 4.15Å; F639-M676 HydrophobicContact CE1-SD 3.52Å; F639-M676 VanDerWaalsContact CE1-SD 3.52Å; F639-M676 HydrophobicContact CZ-SD 4.3Å; F659-M676 HydrophobicContact CD1-CB 4.43Å; F659-M676 HydrophobicContact CD1-SD 4.14Å; Y666-M676 HydrophobicContact CE2-CE 3.77Å; Y666-M676 HydrophobicContact CE2-SD 4.05Å; Y666-M676 WeakPolarHBondContact OH-CE 3.26Å; S673-M676 WeakPolarHBondContact O-CB 3.44Å; S673-M676 PolarHBondContact O-N 3.33Å; M676-N678 VanDerWaalsContact C-N 3.25Å; M676-N678 PolarHBondContact O-N 2.88Å; M676-C679 VanDerWaalsContact O-CB 3.24Å; M676-C679 WeakPolarHBondContact O-CB 3.37Å; M676-C679 PolarHBondContact O-N 3.49Å; M676-Y682 WeakPolarHBondContact O-CB 3.24Å
677L93.3Very high93.6Very high15 Ų1535.3 Ų35.38%0.07918%0.175CC..Hα-helixtrans-73.4-11.6179.5-63.6174.3000114.3A672 S673 E674 Y682 R712A672-L677 HydrophobicContact CB-CD1 4.27Å; A672-L677 HydrophobicContact CB-CD2 4.07Å; A672-L677 HydrophobicContact CB-CG 3.99Å; S673-L677 PolarHBondContact O-N 2.77Å; E674-L677 PolarHBondContact O-N 2.98Å; L677-Y682 HydrophobicContact CD2-CD2 4.26Å; L677-Y682 HydrophobicContact CD2-CE1 4.17Å; L677-Y682 HydrophobicContact CD2-CE2 3.63Å; L677-R712 HydrophobicContact CB-CG 4.3Å; L677-R712 HydrophobicContact CD1-CG 4.41Å; L677-R712 HydrophobicContact CD2-CG 4.38Å; L677-R712 PolarHBondContact O-NH1 3.12Å
678N93.5Very high93.7Very high65 Ų6536 Ų3635%0.34818%0.178SC..Hα-helixtrans-104.4-5.4172.5-74.2-55.6000113.2E674 T675 M676 R712E674-N678 VanDerWaalsContact O-CB 3.28Å; E674-N678 WeakPolarHBondContact O-CB 3.45Å; E674-N678 VanDerWaalsContact O-CG 3.3Å; E674-N678 PolarHBondContact O-N 3.17Å; E674-N678 PolarHBondContact O-ND2 2.74Å; T675-N678 PolarHBondContact O-N 2.88Å; M676-N678 VanDerWaalsContact C-N 3.25Å; M676-N678 PolarHBondContact O-N 2.88Å; N678-R712 PolarHBondContact ND2-NH2 2.94Å; N678-R712 PolarHBondContact OD1-NH1 3.44Å; N678-R712 PolarHBondContact OD1-NH2 3.46Å
679C94.4Very high93.7Very high1 Ų135.8 Ų35.81%0.00718%0.177CC..BIsolated β-bridgetrans-68.3143.9-175-177.10000112.2M602 A603 F639 F659 T675 M676 M681 Y682 K683M602-C679 PolarHBondContact O-SG 3.02Å; A603-C679 VanDerWaalsContact C-SG 3.56Å; A603-C679 PolarHBondContact O-SG 2.72Å; F639-C679 WeakPolarHBondContact CZ-SG 3.49Å; F659-C679 HydrophobicContact CE1-CB 4.37Å; T675-C679 WeakPolarHBondContact O-CB 3.4Å; T675-C679 PolarHBondContact O-N 3.01Å; M676-C679 VanDerWaalsContact O-CB 3.24Å; M676-C679 WeakPolarHBondContact O-CB 3.37Å; M676-C679 PolarHBondContact O-N 3.49Å; C679-M681 PolarHBondContact O-N 3.13Å; C679-Y682 PolarHBondContact O-N 2.73Å; C679-K683 PolarHBondContact O-N 2.99Å
680L95.5Very high93.7Very high0 Ų034.3 Ų34.30%017%0.17CC..Hα-helixtrans-55.5-49.5176.2178.365.6000111.3A601 S604 E606 A609 I613 Y682 K683 L684 L720A601-L680 WeakPolarHBondContact O-CD2 3.46Å; S604-L680 PolarHBondContact O-N 2.96Å; E606-L680 HydrophobicContact CG-CD1 4.12Å; A609-L680 HydrophobicContact CB-CB 4.25Å; A609-L680 HydrophobicContact CB-CD2 3.71Å; A609-L680 HydrophobicContact CB-CG 4.48Å; I613-L680 HydrophobicContact CD1-CD2 4.02Å; L680-Y682 VanDerWaalsContact C-N 3.34Å; L680-Y682 PolarHBondContact O-N 3.49Å; L680-K683 WeakPolarHBondContact O-CB 3.31Å; L680-K683 PolarHBondContact O-N 2.83Å; L680-K683 VanDerWaalsContact O-N 3.13Å; L680-L684 HydrophobicContact CD1-CD1 3.9Å; L680-L684 HydrophobicContact CD1-CD2 4.06Å; L680-L684 HydrophobicContact CD1-CG 3.72Å; L680-L684 HydrophobicContact CD2-CD1 4.24Å; L680-L684 HydrophobicContact CG-CD1 3.85Å; L680-L684 HydrophobicContact CG-CG 4.03Å; L680-L684 WeakPolarHBondContact O-CG 3.4Å; L680-L684 PolarHBondContact O-N 3.03Å; L680-L720 HydrophobicContact CD1-CD1 3.69Å
681M95.6Very high93.6Very high0 Ų033 Ų330%017%0.166CC..Hα-helixtrans-57.9-44.3-180-177.45870.900112.3M602 V623 D635 I636 F639 M642 C679 L684 S685M602-M681 HydrophobicContact CB-CE 4.09Å; M602-M681 HydrophobicContact CE-CE 4.26Å; M602-M681 HydrophobicContact CG-CE 3.97Å; M602-M681 WeakPolarHBondContact O-CB 3.48Å; M602-M681 PolarHBondContact O-N 2.77Å; M602-M681 HydrophobicContact SD-CE 3.66Å; V623-M681 HydrophobicContact CB-SD 4.32Å; V623-M681 HydrophobicContact CG1-CE 3.99Å; V623-M681 HydrophobicContact CG1-SD 3.95Å; D635-M681 HydrophobicContact CB-CE 3.92Å; D635-M681 HydrophobicContact CB-SD 3.85Å; I636-M681 HydrophobicContact CD1-CG 4.04Å; F639-M681 HydrophobicContact CD2-CB 3.75Å; F639-M681 HydrophobicContact CD2-CG 3.78Å; F639-M681 HydrophobicContact CE2-CB 3.74Å; F639-M681 HydrophobicContact CE2-CG 4.3Å; F639-M681 HydrophobicContact CG-CG 4.5Å; M642-M681 HydrophobicContact CE-CE 3.97Å; M642-M681 HydrophobicContact SD-CE 3.81Å; C679-M681 PolarHBondContact O-N 3.13Å; M681-L684 PolarHBondContact O-N 2.96Å; M681-S685 PolarHBondContact O-N 3.39Å; M681-S685 PolarHBondContact O-OG 2.86Å
682Y95.3Very high93.5Very high0 Ų031.5 Ų31.50%016%0.155CC..Hα-helixtrans-61.5-46.6175.1179.2-78.5000111.2I668 M676 L677 C679 L680 L684 Y686 G711 R712 F715I668-Y682 HydrophobicContact CB-CE2 4.49Å; M676-Y682 WeakPolarHBondContact O-CB 3.24Å; L677-Y682 HydrophobicContact CD2-CD2 4.26Å; L677-Y682 HydrophobicContact CD2-CE1 4.17Å; L677-Y682 HydrophobicContact CD2-CE2 3.63Å; C679-Y682 PolarHBondContact O-N 2.73Å; L680-Y682 VanDerWaalsContact C-N 3.34Å; L680-Y682 PolarHBondContact O-N 3.49Å; Y682-L684 PolarHBondContact O-N 2.72Å; Y682-Y686 HydrophobicContact CD1-CD2 4.23Å; Y682-Y686 AromaticContact CD2-CD2 3.51Å; Y682-Y686 HydrophobicContact CD2-CD2 3.51Å; Y682-Y686 AromaticContact CD2-CE2 3.66Å; Y682-Y686 HydrophobicContact CD2-CE2 3.66Å; Y682-Y686 HydrophobicContact CE1-CD2 4.19Å; Y682-Y686 AromaticContact CE2-CD2 3.49Å; Y682-Y686 HydrophobicContact CE2-CD2 3.49Å; Y682-Y686 VanDerWaalsContact CE2-CD2 3.49Å; Y682-Y686 AromaticContact CE2-CE2 3.73Å; Y682-Y686 HydrophobicContact CE2-CE2 3.73Å; Y682-Y686 HydrophobicContact CE2-CG 4.38Å; Y682-Y686 AromaticContact CG-CD2 3.88Å; Y682-Y686 HydrophobicContact CG-CD2 3.88Å; Y682-Y686 HydrophobicContact CG-CE2 4.38Å; Y682-Y686 AromaticContact CZ-CD2 3.83Å; Y682-Y686 WeakPolarHBondContact O-CD2 3.31Å; Y682-Y686 PolarHBondContact O-N 2.91Å; Y682-Y686 VanDerWaalsContact O-N 3.12Å; Y682-G711 PolarHBondContact OH-N 3.01Å; Y682-R712 HydrophobicContact CE1-CB 4.29Å; Y682-R712 PolarHBondContact OH-N 2.64Å; Y682-R712 VanDerWaalsContact OH-N 3.09Å; Y682-R712 PolarHBondContact OH-O 2.77Å; Y682-F715 HydrophobicContact CE1-CE1 4.02Å
683K95.4Very high93.3Very high24 Ų2437.6 Ų37.610%0.10418%0.176CC..Hα-helixtrans-57-48.6176.7-88.6-163.1168-152.20111.1E606 C679 L680 Y687 F715 E716 L717 D718E606-K683 WeakPolarHBondContact OE2-CD 3.47Å; E606-K683 WeakPolarHBondContact OE2-CE 3.43Å; E606-K683 IonicContact OE2-NZ 2.74Å; E606-K683 PolarHBondContact OE2-NZ 3.21Å; C679-K683 PolarHBondContact O-N 2.99Å; L680-K683 WeakPolarHBondContact O-CB 3.31Å; L680-K683 PolarHBondContact O-N 2.83Å; L680-K683 VanDerWaalsContact O-N 3.13Å; K683-Y687 WeakPolarHBondContact O-CB 3.41Å; K683-Y687 PolarHBondContact O-N 3.43Å; K683-Y687 VanDerWaalsContact O-N 3.13Å; K683-F715 HydrophobicContact CB-CD2 4.45Å; K683-F715 HydrophobicContact CB-CE2 3.9Å; K683-F715 HydrophobicContact CD-CD2 4.39Å; K683-F715 HydrophobicContact CG-CD2 3.92Å; K683-F715 HydrophobicContact CG-CE2 3.85Å; K683-F715 WeakPolarHBondContact O-CE2 3.38Å; K683-F715 VanDerWaalsContact O-CZ 3.29Å; K683-F715 WeakPolarHBondContact O-CZ 3.27Å; K683-E716 PolarHBondContact NZ-O 2.91Å; K683-L717 HydrophobicContact CB-CD2 3.89Å; K683-L717 HydrophobicContact CD-CD2 3.97Å; K683-L717 HydrophobicContact CG-CD2 4.4Å; K683-D718 IonicContact NZ-OD2 3.62Å; K683-D718 PolarHBondContact NZ-OD2 2.73Å
684L95.7Very high92.8Very high0 Ų037.5 Ų37.50%017%0.173CC..Hα-helixtrans-67.3-47.9-178-65.5-174.6000112.7V621 V623 L680 M681 Y682 Y686 L717 L720 Y734V621-L684 HydrophobicContact CB-CD1 4.44Å; V621-L684 HydrophobicContact CG1-CD1 3.81Å; V623-L684 HydrophobicContact CG1-CB 4.29Å; V623-L684 HydrophobicContact CG1-CD1 3.97Å; V623-L684 HydrophobicContact CG2-CB 4.08Å; L680-L684 HydrophobicContact CD1-CD1 3.9Å; L680-L684 HydrophobicContact CD1-CD2 4.06Å; L680-L684 HydrophobicContact CD1-CG 3.72Å; L680-L684 HydrophobicContact CD2-CD1 4.24Å; L680-L684 HydrophobicContact CG-CD1 3.85Å; L680-L684 HydrophobicContact CG-CG 4.03Å; L680-L684 WeakPolarHBondContact O-CG 3.4Å; L680-L684 PolarHBondContact O-N 3.03Å; M681-L684 PolarHBondContact O-N 2.96Å; Y682-L684 PolarHBondContact O-N 2.72Å; L684-Y686 PolarHBondContact O-N 3.28Å; L684-L717 HydrophobicContact CD2-CD1 4.27Å; L684-L717 HydrophobicContact CD2-CD2 4.47Å; L684-L720 HydrophobicContact CD2-CD1 4.32Å; L684-Y734 HydrophobicContact CB-CD2 4.28Å; L684-Y734 HydrophobicContact CB-CE2 4.05Å; L684-Y734 HydrophobicContact CD1-CD2 4.47Å; L684-Y734 HydrophobicContact CD2-CD1 3.93Å; L684-Y734 HydrophobicContact CD2-CD2 3.75Å; L684-Y734 HydrophobicContact CD2-CE1 4.26Å; L684-Y734 HydrophobicContact CD2-CE2 4.09Å; L684-Y734 HydrophobicContact CD2-CG 3.68Å; L684-Y734 HydrophobicContact CG-CD2 4.38Å; L684-Y734 PolarHBondContact O-OH 3.38Å
685S94.9Very high92.2Very high0 Ų034 Ų340%016%0.159CC..Hα-helixtrans-63.8-45.5-179.2-59.20000112.4I636 M681 R732I636-S685 WeakPolarHBondContact CD1-OG 2.98Å; M681-S685 PolarHBondContact O-N 3.39Å; M681-S685 PolarHBondContact O-OG 2.86Å; S685-R732 PolarHBondContact O-NH1 2.98Å
686Y95.4Very high91.6Very high0 Ų038.7 Ų38.70%018%0.179CC..Hα-helixtrans-94.15-171.5-62.8-68.2000115.1F625 I636 I668 Y682 L684 R688 F689 D703 I710F625-Y686 HydrophobicContact CD2-CE1 4.41Å; F625-Y686 AromaticContact CE2-CD1 3.84Å; F625-Y686 HydrophobicContact CE2-CD1 3.84Å; F625-Y686 AromaticContact CE2-CE1 3.44Å; F625-Y686 HydrophobicContact CE2-CE1 3.44Å; F625-Y686 VanDerWaalsContact CE2-CE1 3.44Å; F625-Y686 HydrophobicContact CZ-CD1 4.05Å; F625-Y686 AromaticContact CZ-CE1 3.95Å; F625-Y686 HydrophobicContact CZ-CE1 3.95Å; I636-Y686 HydrophobicContact CD1-CE2 3.9Å; I636-Y686 HydrophobicContact CG1-CE2 4.23Å; I668-Y686 HydrophobicContact CD1-CE1 4.34Å; I668-Y686 VanDerWaalsContact CD1-OH 3.29Å; I668-Y686 WeakPolarHBondContact CD1-OH 3.19Å; I668-Y686 HydrophobicContact CG2-CE2 4.39Å; Y682-Y686 HydrophobicContact CD1-CD2 4.23Å; Y682-Y686 AromaticContact CD2-CD2 3.51Å; Y682-Y686 HydrophobicContact CD2-CD2 3.51Å; Y682-Y686 AromaticContact CD2-CE2 3.66Å; Y682-Y686 HydrophobicContact CD2-CE2 3.66Å; Y682-Y686 HydrophobicContact CE1-CD2 4.19Å; Y682-Y686 AromaticContact CE2-CD2 3.49Å; Y682-Y686 HydrophobicContact CE2-CD2 3.49Å; Y682-Y686 VanDerWaalsContact CE2-CD2 3.49Å; Y682-Y686 AromaticContact CE2-CE2 3.73Å; Y682-Y686 HydrophobicContact CE2-CE2 3.73Å; Y682-Y686 HydrophobicContact CE2-CG 4.38Å; Y682-Y686 AromaticContact CG-CD2 3.88Å; Y682-Y686 HydrophobicContact CG-CD2 3.88Å; Y682-Y686 HydrophobicContact CG-CE2 4.38Å; Y682-Y686 AromaticContact CZ-CD2 3.83Å; Y682-Y686 WeakPolarHBondContact O-CD2 3.31Å; Y682-Y686 PolarHBondContact O-N 2.91Å; Y682-Y686 VanDerWaalsContact O-N 3.12Å; L684-Y686 PolarHBondContact O-N 3.28Å; Y686-R688 PolarHBondContact O-N 2.9Å; Y686-R688 VanDerWaalsContact O-N 3.12Å; Y686-F689 HydrophobicContact CD1-CB 4.44Å; Y686-F689 AromaticContact CD1-CD1 3.85Å; Y686-F689 HydrophobicContact CD1-CD1 3.85Å; Y686-F689 HydrophobicContact CD1-CG 4.41Å; Y686-F689 HydrophobicContact CE1-CD1 4.38Å; Y686-F689 VanDerWaalsContact O-CB 3.31Å; Y686-F689 WeakPolarHBondContact O-CB 3.43Å; Y686-F689 PolarHBondContact O-N 2.65Å; Y686-D703 HydrophobicContact CE1-CB 4.41Å; Y686-D703 PolarHBondContact OH-OD2 3.36Å; Y686-D703 VanDerWaalsContact OH-OD2 3.09Å; Y686-I710 HydrophobicContact CD1-CG2 3.62Å; Y686-I710 HydrophobicContact CE1-CG2 3.68Å; Y686-I710 HydrophobicContact CG-CG2 4.28Å
687Y95Very high91.2Very high50 Ų5050.5 Ų50.520%0.19622%0.223CC..THydrogen-bonded Turntrans-52.2122.1179.6-176.9-116.6000111K683 F689 F715 L717 E722 R732 Y734K683-Y687 WeakPolarHBondContact O-CB 3.41Å; K683-Y687 PolarHBondContact O-N 3.43Å; K683-Y687 VanDerWaalsContact O-N 3.13Å; Y687-F689 PolarHBondContact O-N 2.84Å; Y687-F715 HydrophobicContact CD2-CE2 4.08Å; Y687-L717 HydrophobicContact CD1-CD1 4.39Å; Y687-L717 HydrophobicContact CD2-CD1 4.01Å; Y687-L717 HydrophobicContact CD2-CD2 4.48Å; Y687-L717 HydrophobicContact CD2-CG 3.84Å; Y687-L717 HydrophobicContact CE2-CD1 4.26Å; Y687-L717 HydrophobicContact CE2-CG 3.98Å; Y687-L717 HydrophobicContact CG-CD1 4.08Å; Y687-L717 HydrophobicContact CG-CG 4.4Å; Y687-E722 HydrophobicContact CD1-CB 4.11Å; Y687-E722 HydrophobicContact CE1-CB 3.84Å; Y687-E722 WeakPolarHBondContact CE1-OE2 3.44Å; Y687-R732 PolarHBondContact O-NH1 2.83Å; Y687-R732 PolarHBondContact O-NH2 3.41Å; Y687-Y734 HydrophobicContact CD1-CE1 4.08Å; Y687-Y734 HydrophobicContact CG-CE1 4.45Å
688R93.1Very high90.9Very high115 Ų11551 Ų5143%0.43423%0.227SC..THydrogen-bonded Turntrans58.62.5-175.5-57.3177.260.4-149.3-3.5116.6Y686 G690 E691 E722Y686-R688 PolarHBondContact O-N 2.9Å; Y686-R688 VanDerWaalsContact O-N 3.12Å; R688-G690 PolarHBondContact O-N 2.88Å; R688-E691 IonicContact CZ-OE2 3.28Å; R688-E691 IonicContact NE-OE2 3.29Å; R688-E691 PolarHBondContact NE-OE2 3.4Å; R688-E691 IonicContact NH2-OE2 3.73Å; R688-E691 PolarHBondContact NH2-OE2 3.23Å; R688-E691 WeakPolarHBondContact O-CB 3.46Å; R688-E691 PolarHBondContact O-N 2.94Å; R688-E691 VanDerWaalsContact O-N 3.1Å; R688-E722 IonicContact NH1-OE2 3.57Å
689F93.4Very high90.7Very high0 Ų050.2 Ų50.20%023%0.226CC..G310 helixtrans-65.3-23.7177.4-170.1-111.5000112.4F625 Y628 Y686 Y687 E691 V692 L694 G701 F702 D703 I710 W729F625-F689 AromaticContact CE1-CD2 3.64Å; F625-F689 HydrophobicContact CE1-CD2 3.64Å; F625-F689 AromaticContact CE1-CE2 3.68Å; F625-F689 HydrophobicContact CE1-CE2 3.68Å; F625-F689 HydrophobicContact CE1-CG 4.11Å; F625-F689 HydrophobicContact CE1-CZ 4.18Å; F625-F689 AromaticContact CZ-CD1 3.97Å; F625-F689 HydrophobicContact CZ-CD1 3.97Å; F625-F689 AromaticContact CZ-CD2 3.84Å; F625-F689 HydrophobicContact CZ-CD2 3.84Å; F625-F689 AromaticContact CZ-CE1 3.89Å; F625-F689 HydrophobicContact CZ-CE1 3.89Å; F625-F689 AromaticContact CZ-CE2 3.75Å; F625-F689 HydrophobicContact CZ-CE2 3.75Å; F625-F689 AromaticContact CZ-CG 3.95Å; F625-F689 HydrophobicContact CZ-CG 3.95Å; F625-F689 AromaticContact CZ-CZ 3.78Å; F625-F689 HydrophobicContact CZ-CZ 3.78Å; Y628-F689 HydrophobicContact CD2-CE2 4.39Å; Y686-F689 HydrophobicContact CD1-CB 4.44Å; Y686-F689 AromaticContact CD1-CD1 3.85Å; Y686-F689 HydrophobicContact CD1-CD1 3.85Å; Y686-F689 HydrophobicContact CD1-CG 4.41Å; Y686-F689 HydrophobicContact CE1-CD1 4.38Å; Y686-F689 VanDerWaalsContact O-CB 3.31Å; Y686-F689 WeakPolarHBondContact O-CB 3.43Å; Y686-F689 PolarHBondContact O-N 2.65Å; Y687-F689 PolarHBondContact O-N 2.84Å; F689-E691 PolarHBondContact O-N 3.43Å; F689-V692 HydrophobicContact CD2-CB 4.29Å; F689-V692 HydrophobicContact CD2-CG2 4.32Å; F689-V692 WeakPolarHBondContact O-CB 3.27Å; F689-V692 PolarHBondContact O-N 3.39Å; F689-L694 HydrophobicContact CZ-CD1 4.34Å; F689-G701 WeakPolarHBondContact O-CA 3.35Å; F689-F702 WeakPolarHBondContact CE1-O 3.12Å; F689-F702 WeakPolarHBondContact CZ-O 3.26Å; F689-D703 HydrophobicContact CE1-CB 4.36Å; F689-I710 HydrophobicContact CD1-CD1 4.26Å; F689-I710 HydrophobicContact CD1-CG2 4.18Å; F689-I710 HydrophobicContact CE1-CG2 4.48Å; F689-W729 HydrophobicContact CB-CZ3 4.12Å; F689-W729 AromaticContact CD2-CE3 3.95Å; F689-W729 HydrophobicContact CD2-CE3 3.95Å; F689-W729 AromaticContact CD2-CZ3 3.94Å; F689-W729 HydrophobicContact CD2-CZ3 3.94Å
690G89.8Confident90.5Very high6 Ų654.3 Ų54.36%0.06225%0.247CC..G310 helixtrans-61.1-19.3172.400000115.3R688R688-G690 PolarHBondContact O-N 2.88Å
691E89.2Confident90.2Very high115 Ų11554.3 Ų54.354%0.53725%0.247SC..G310 helixtrans-84.4-17.6175.9-52.8-176.8146.200112.2R688 F689 L700R688-E691 IonicContact CZ-OE2 3.28Å; R688-E691 IonicContact NE-OE2 3.29Å; R688-E691 PolarHBondContact NE-OE2 3.4Å; R688-E691 IonicContact NH2-OE2 3.73Å; R688-E691 PolarHBondContact NH2-OE2 3.23Å; R688-E691 WeakPolarHBondContact O-CB 3.46Å; R688-E691 PolarHBondContact O-N 2.94Å; R688-E691 VanDerWaalsContact O-N 3.1Å; F689-E691 PolarHBondContact O-N 3.43Å; E691-L700 WeakPolarHBondContact O-CD2 3.45Å
692V89.3Confident90.1Very high27 Ų2756.4 Ų56.416%0.16426%0.256CS..  trans-86.7136.1-170.8-177.20000111.2Y628 F689 L694 G701 W729Y628-V692 HydrophobicContact CD2-CG1 4.25Å; Y628-V692 HydrophobicContact CE2-CG1 4Å; F689-V692 HydrophobicContact CD2-CB 4.29Å; F689-V692 HydrophobicContact CD2-CG2 4.32Å; F689-V692 WeakPolarHBondContact O-CB 3.27Å; F689-V692 PolarHBondContact O-N 3.39Å; V692-L694 HydrophobicContact CG1-CD2 3.93Å; V692-G701 PolarHBondContact O-N 3.03Å; V692-W729 HydrophobicContact CG2-CH2 3.53Å; V692-W729 HydrophobicContact CG2-CZ2 3.98Å; V692-W729 HydrophobicContact CG2-CZ3 3.96Å
693R86.8Confident89.9Confident139 Ų13956.4 Ų56.453%0.52526%0.256SS..  trans-117113.2171-169.3177.5-171.9168.70.8109.7D695 M696 L700R693-D695 WeakPolarHBondContact CG-O 3.09Å; R693-D695 PolarHBondContact NE-O 3.48Å; R693-M696 PolarHBondContact NH2-O 3.33Å; R693-L700 HydrophobicContact CB-CD2 3.9Å
694L83.9Confident89.8Confident22 Ų2259.9 Ų59.912%0.11527%0.268CS..SBendtrans-77.7-38.3-176.1-61-177.6000113.1Y628 F689 V692 F702 R704Y628-L694 HydrophobicContact CD2-CD2 3.32Å; Y628-L694 HydrophobicContact CE2-CD2 3.42Å; Y628-L694 VanDerWaalsContact CE2-CD2 3.42Å; Y628-L694 HydrophobicContact CG-CD2 3.89Å; F689-L694 HydrophobicContact CZ-CD1 4.34Å; V692-L694 HydrophobicContact CG1-CD2 3.93Å; L694-F702 WeakPolarHBondContact CD1-O 3.27Å; L694-R704 HydrophobicContact CD1-CG 3.68Å
695D80.8Confident89.6Confident72 Ų7261.6 Ų61.639%0.38528%0.279SS..SBendtrans-139.9153.7-179.4-61.3-81.4000110.3R693 R697 T698 R704R693-D695 WeakPolarHBondContact CG-O 3.09Å; R693-D695 PolarHBondContact NE-O 3.48Å; D695-R697 PolarHBondContact O-N 2.84Å; D695-T698 HydrophobicContact CB-CG2 4.3Å; D695-T698 WeakPolarHBondContact CB-OG1 3.39Å; D695-T698 PolarHBondContact N-OG1 3.23Å; D695-T698 PolarHBondContact O-N 2.85Å; D695-T698 VanDerWaalsContact O-N 3.16Å; D695-T698 PolarHBondContact O-OG1 3.04Å; D695-R704 VanDerWaalsContact CG-NH2 3.29Å; D695-R704 IonicContact OD1-NH2 3.63Å; D695-R704 PolarHBondContact OD1-NH2 3.4Å; D695-R704 IonicContact OD2-CZ 3.6Å; D695-R704 IonicContact OD2-NE 2.72Å; D695-R704 IonicContact OD2-NH2 3.66Å; D695-R704 PolarHBondContact OD2-NH2 2.86Å
696M78.7Confident89.5Confident162 Ų16264.3 Ų64.380%0.79829%0.289SS*.THydrogen-bonded Turntrans-60.7-19.5175.6-72-65.4-175.600113.2R693R693-M696 PolarHBondContact NH2-O 3.33Å
697R86.1Confident89.3Confident247 Ų24766.5 Ų66.593%0.93231%0.312SS*.THydrogen-bonded Turntrans-96.9-15.2178.8-63.6-176-179-176.1-0.2114.6D695D695-R697 PolarHBondContact O-N 2.84Å
698T86.6Confident89.1Confident25 Ų2565.3 Ų65.315%0.15331%0.311CS..SBendtrans-92.3152.7179.847.70000111.3D695 F702D695-T698 HydrophobicContact CB-CG2 4.3Å; D695-T698 WeakPolarHBondContact CB-OG1 3.39Å; D695-T698 PolarHBondContact N-OG1 3.23Å; D695-T698 PolarHBondContact O-N 2.85Å; D695-T698 VanDerWaalsContact O-N 3.16Å; D695-T698 PolarHBondContact O-OG1 3.04Å; T698-F702 HydrophobicContact CG2-CD1 3.77Å; T698-F702 HydrophobicContact CG2-CE1 4.04Å; T698-F702 HydrophobicContact CG2-CG 4.04Å
699P89.1Confident89.1Confident50 Ų5062.5 Ų62.533%0.32530%0.303SS..PPolyproline II helixtrans-69162.1172.729.2-33.5000111.3G701 F702 E709P699-G701 PolarHBondContact O-N 2.82Å; P699-F702 HydrophobicContact CG-CB 4.13Å; P699-F702 HydrophobicContact CG-CD2 3.9Å; P699-F702 HydrophobicContact CG-CG 4.43Å; P699-F702 WeakPolarHBondContact O-CB 3.35Å; P699-E709 HydrophobicContact CB-CG 4.47Å; P699-E709 WeakPolarHBondContact CB-OE2 3.48Å; P699-E709 HydrophobicContact CG-CB 4.09Å; P699-E709 HydrophobicContact CG-CG 4.3Å
700L90Very high89Confident86 Ų8662.5 Ų62.545%0.4530%0.303SS..THydrogen-bonded Turntrans-60.3132168.5-74.8159000110.1E691 R693 K713E691-L700 WeakPolarHBondContact O-CD2 3.45Å; R693-L700 HydrophobicContact CB-CD2 3.9Å; L700-K713 VanDerWaalsContact O-CE 3.28Å; L700-K713 WeakPolarHBondContact O-CE 3.23Å; L700-K713 PolarHBondContact O-NZ 3.45Å
701G89.8Confident89Confident0 Ų062.9 Ų62.90%031%0.307CS..THydrogen-bonded Turntrans68.747.4-175.900000113.9F689 V692 P699 E709 I710F689-G701 WeakPolarHBondContact O-CA 3.35Å; V692-G701 PolarHBondContact O-N 3.03Å; P699-G701 PolarHBondContact O-N 2.82Å; G701-E709 WeakPolarHBondContact O-CA 3.3Å; G701-I710 PolarHBondContact O-N 3.29Å
702F92.9Very high89.1Confident44 Ų4461.2 Ų61.219%0.19330%0.296CS..EExtended strand (participates in β ladder)trans-96.6122.6173.6-174.3-94.6000110.9F689 L694 T698 P699 G707F689-F702 WeakPolarHBondContact CE1-O 3.12Å; F689-F702 WeakPolarHBondContact CZ-O 3.26Å; L694-F702 WeakPolarHBondContact CD1-O 3.27Å; T698-F702 HydrophobicContact CG2-CD1 3.77Å; T698-F702 HydrophobicContact CG2-CE1 4.04Å; T698-F702 HydrophobicContact CG2-CG 4.04Å; P699-F702 HydrophobicContact CG-CB 4.13Å; P699-F702 HydrophobicContact CG-CD2 3.9Å; P699-F702 HydrophobicContact CG-CG 4.43Å; P699-F702 WeakPolarHBondContact O-CB 3.35Å; F702-G707 VanDerWaalsContact CE2-C 3.47Å; F702-G707 WeakPolarHBondContact CE2-O 3.47Å; F702-G707 WeakPolarHBondContact CZ-O 3.48Å
703D93Very high88.9Confident0 Ų062.3 Ų62.30%030%0.298CS..EExtended strand (participates in β ladder)trans-87.8121.6175.6-177.4-47.4000110.1G627 I668 Y686 F689 T705 R706 G707 S708G627-D703 WeakPolarHBondContact CA-OD1 3.5Å; I668-D703 HydrophobicContact CD1-CB 3.8Å; Y686-D703 HydrophobicContact CE1-CB 4.41Å; Y686-D703 PolarHBondContact OH-OD2 3.36Å; Y686-D703 VanDerWaalsContact OH-OD2 3.09Å; F689-D703 HydrophobicContact CE1-CB 4.36Å; D703-T705 WeakPolarHBondContact OD1-CA 3.16Å; D703-T705 WeakPolarHBondContact OD1-CB 3.15Å; D703-T705 PolarHBondContact OD1-N 3.15Å; D703-R706 VanDerWaalsContact CG-CD 3.47Å; D703-R706 WeakPolarHBondContact OD1-CD 3.43Å; D703-R706 PolarHBondContact OD1-N 2.84Å; D703-R706 IonicContact OD1-NH1 3.33Å; D703-R706 VanDerWaalsContact OD2-CD 3.29Å; D703-R706 WeakPolarHBondContact OD2-CD 2.81Å; D703-R706 IonicContact OD2-CZ 3.33Å; D703-R706 IonicContact OD2-NE 3.72Å; D703-R706 IonicContact OD2-NH1 2.67Å; D703-R706 PolarHBondContact OD2-NH1 3.16Å; D703-G707 WeakPolarHBondContact O-CA 3.46Å; D703-G707 PolarHBondContact O-N 3.19Å; D703-S708 PolarHBondContact N-O 3.5Å; D703-S708 PolarHBondContact O-N 3.47Å
704R91.5Very high89Confident97 Ų9762.2 Ų62.237%0.36631%0.308SS..THydrogen-bonded Turntrans-72.5-26179.6-82.1176.2178.4154.2-8.4114.5G627 Y628 L694 D695G627-R704 PolarHBondContact O-N 2.95Å; Y628-R704 WeakPolarHBondContact O-CD 3.25Å; Y628-R704 PolarHBondContact O-NH1 2.91Å; L694-R704 HydrophobicContact CD1-CG 3.68Å; D695-R704 VanDerWaalsContact CG-NH2 3.29Å; D695-R704 IonicContact OD1-NH2 3.63Å; D695-R704 PolarHBondContact OD1-NH2 3.4Å; D695-R704 IonicContact OD2-CZ 3.6Å; D695-R704 IonicContact OD2-NE 2.72Å; D695-R704 IonicContact OD2-NH2 3.66Å; D695-R704 PolarHBondContact OD2-NH2 2.86Å
705T91.4Very high89.3Confident36 Ų3663 Ų6322%0.22131%0.311CS..THydrogen-bonded Turntrans-79.2-34.9179.4-54.50000111.7G626 G630 Y631 D703G626-T705 PolarHBondContact O-OG1 3.31Å; G630-T705 VanDerWaalsContact CA-OG1 3.28Å; G630-T705 WeakPolarHBondContact CA-OG1 3.15Å; Y631-T705 PolarHBondContact N-OG1 3.5Å; Y631-T705 WeakPolarHBondContact O-CG2 3.4Å; Y631-T705 PolarHBondContact O-OG1 3.14Å; D703-T705 WeakPolarHBondContact OD1-CA 3.16Å; D703-T705 WeakPolarHBondContact OD1-CB 3.15Å; D703-T705 PolarHBondContact OD1-N 3.15Å
706R92.9Very high89.7Confident57 Ų5767 Ų6722%0.21533%0.327CS..THydrogen-bonded Turntrans-91.7-23173.6-7084.2-130177.2-3.6114D634 N637 I668 D703D634-R706 IonicContact OD1-CZ 3.68Å; D634-R706 IonicContact OD1-NH1 3.17Å; D634-R706 IonicContact OD1-NH2 3.37Å; D634-R706 PolarHBondContact OD1-NH2 3.26Å; D634-R706 IonicContact OD2-CZ 2.74Å; D634-R706 IonicContact OD2-NH1 3.89Å; D634-R706 PolarHBondContact OD2-NH1 3.33Å; D634-R706 IonicContact OD2-NH2 2.8Å; D634-R706 PolarHBondContact OD2-NH2 3.39Å; N637-R706 PolarHBondContact ND2-NH2 3.16Å; N637-R706 PolarHBondContact OD1-NE 3.04Å; N637-R706 PolarHBondContact OD1-NH2 3.21Å; I668-R706 HydrophobicContact CD1-CB 3.76Å; I668-R706 HydrophobicContact CD1-CG 3.79Å; I668-R706 HydrophobicContact CG1-CB 4.13Å; I668-R706 HydrophobicContact CG1-CG 4.07Å; D703-R706 VanDerWaalsContact CG-CD 3.47Å; D703-R706 WeakPolarHBondContact OD1-CD 3.43Å; D703-R706 PolarHBondContact OD1-N 2.84Å; D703-R706 IonicContact OD1-NH1 3.33Å; D703-R706 VanDerWaalsContact OD2-CD 3.29Å; D703-R706 WeakPolarHBondContact OD2-CD 2.81Å; D703-R706 IonicContact OD2-CZ 3.33Å; D703-R706 IonicContact OD2-NE 3.72Å; D703-R706 IonicContact OD2-NH1 2.67Å; D703-R706 PolarHBondContact OD2-NH1 3.16Å
707G91.1Very high90.4Very high47 Ų4760.3 Ų60.349%0.48530%0.295SS..THydrogen-bonded Turntrans74.625.5-176.700000114.2F702 D703F702-G707 VanDerWaalsContact CE2-C 3.47Å; F702-G707 WeakPolarHBondContact CE2-O 3.47Å; F702-G707 WeakPolarHBondContact CZ-O 3.48Å; D703-G707 WeakPolarHBondContact O-CA 3.46Å; D703-G707 PolarHBondContact O-N 3.19Å
708S91Very high90.7Very high25 Ų2553.7 Ų53.718%0.17528%0.278CS..EExtended strand (participates in β ladder)trans-136151.2-171.158.10000113.5I668 D703I668-S708 WeakPolarHBondContact CD1-OG 3.41Å; I668-S708 VanDerWaalsContact CG1-OG 3.24Å; I668-S708 WeakPolarHBondContact CG1-OG 3.38Å; D703-S708 PolarHBondContact N-O 3.5Å; D703-S708 PolarHBondContact O-N 3.47Å
709E93Very high91Very high55 Ų5555.9 Ų55.926%0.25728%0.284SS..EExtended strand (participates in β ladder)trans-72.8131.8167.7-177-176.3142.900110.4D669 K670 P699 G701 K713D669-E709 WeakPolarHBondContact CA-O 3.43Å; D669-E709 WeakPolarHBondContact CB-O 3.47Å; K670-E709 WeakPolarHBondContact CE-OE1 3.45Å; K670-E709 IonicContact NZ-OE1 3.25Å; K670-E709 PolarHBondContact NZ-OE1 3.2Å; P699-E709 HydrophobicContact CB-CG 4.47Å; P699-E709 WeakPolarHBondContact CB-OE2 3.48Å; P699-E709 HydrophobicContact CG-CB 4.09Å; P699-E709 HydrophobicContact CG-CG 4.3Å; G701-E709 WeakPolarHBondContact O-CA 3.3Å; E709-K713 WeakPolarHBondContact OE1-CE 3.43Å; E709-K713 IonicContact OE1-NZ 2.96Å; E709-K713 PolarHBondContact OE1-NZ 3.28Å; E709-K713 IonicContact OE2-NZ 3.67Å
710I92.9Very high91.2Very high0 Ų053.7 Ų53.70%027%0.269CS..  trans-64142.7-179.467.9-178.9000112.5I668 Y686 F689 G701 R712 K713I668-I710 HydrophobicContact CD1-CG2 4.38Å; Y686-I710 HydrophobicContact CD1-CG2 3.62Å; Y686-I710 HydrophobicContact CE1-CG2 3.68Å; Y686-I710 HydrophobicContact CG-CG2 4.28Å; F689-I710 HydrophobicContact CD1-CD1 4.26Å; F689-I710 HydrophobicContact CD1-CG2 4.18Å; F689-I710 HydrophobicContact CE1-CG2 4.48Å; G701-I710 PolarHBondContact O-N 3.29Å; I710-R712 WeakPolarHBondContact CD1-O 3.07Å; I710-K713 HydrophobicContact CD1-CG 4.22Å; I710-K713 HydrophobicContact CG1-CG 3.88Å
711G89.7Confident91.5Very high15 Ų1553 Ų5316%0.15526%0.264CS..SBendtrans-65.3-48.3-175.700000113.8I668 D669 Y682I668-G711 PolarHBondContact O-N 2.91Å; D669-G711 WeakPolarHBondContact O-CA 3.48Å; Y682-G711 PolarHBondContact OH-N 3.01Å
712R90Very high91.8Very high79 Ų7955.8 Ų55.830%0.29828%0.277SS..  trans-113.4122.6174-66.6-177.5-178.7176.4-4.3110L677 N678 Y682 I710 F715L677-R712 HydrophobicContact CB-CG 4.3Å; L677-R712 HydrophobicContact CD1-CG 4.41Å; L677-R712 HydrophobicContact CD2-CG 4.38Å; L677-R712 PolarHBondContact O-NH1 3.12Å; N678-R712 PolarHBondContact ND2-NH2 2.94Å; N678-R712 PolarHBondContact OD1-NH1 3.44Å; N678-R712 PolarHBondContact OD1-NH2 3.46Å; Y682-R712 HydrophobicContact CE1-CB 4.29Å; Y682-R712 PolarHBondContact OH-N 2.64Å; Y682-R712 VanDerWaalsContact OH-N 3.09Å; Y682-R712 PolarHBondContact OH-O 2.77Å; I710-R712 WeakPolarHBondContact CD1-O 3.07Å; R712-F715 HydrophobicContact CB-CD1 4.3Å
713K86.2Confident91.9Very high50 Ų5055.3 Ų55.322%0.21728%0.281CS..  trans-94.7-38.6-178.3-64-167.6-173.9-172.80114.1L700 E709 I710L700-K713 VanDerWaalsContact O-CE 3.28Å; L700-K713 WeakPolarHBondContact O-CE 3.23Å; L700-K713 PolarHBondContact O-NZ 3.45Å; E709-K713 WeakPolarHBondContact OE1-CE 3.43Å; E709-K713 IonicContact OE1-NZ 2.96Å; E709-K713 PolarHBondContact OE1-NZ 3.28Å; E709-K713 IonicContact OE2-NZ 3.67Å; I710-K713 HydrophobicContact CD1-CG 4.22Å; I710-K713 HydrophobicContact CG1-CG 3.88Å
714N87.3Confident92.1Very high137 Ų13757 Ų5773%0.73329%0.288SS*.  trans-119.8117.9-175.2-60.940000107.7
715F90.3Very high92.4Very high38 Ų3853.8 Ų53.817%0.16728%0.28CS..  trans-157154.2171.757.7-95.4000107.8Y682 K683 Y687 R712 L717Y682-F715 HydrophobicContact CE1-CE1 4.02Å; K683-F715 HydrophobicContact CB-CD2 4.45Å; K683-F715 HydrophobicContact CB-CE2 3.9Å; K683-F715 HydrophobicContact CD-CD2 4.39Å; K683-F715 HydrophobicContact CG-CD2 3.92Å; K683-F715 HydrophobicContact CG-CE2 3.85Å; K683-F715 WeakPolarHBondContact O-CE2 3.38Å; K683-F715 VanDerWaalsContact O-CZ 3.29Å; K683-F715 WeakPolarHBondContact O-CZ 3.27Å; Y687-F715 HydrophobicContact CD2-CE2 4.08Å; R712-F715 HydrophobicContact CB-CD1 4.3Å; F715-L717 HydrophobicContact CE2-CD2 4.43Å
716E91.1Very high92.6Very high156 Ų15652.1 Ų52.173%0.72927%0.27SS*.  trans-104.6162.6176.8-68.1172.8179.200109.8K683K683-E716 PolarHBondContact NZ-O 2.91Å
717L92.9Very high92.6Very high23 Ų2356.7 Ų56.712%0.1229%0.291CS..  trans-103.9129171.4-60.9178.1000106.9K683 L684 Y687 F715 L720 Y734K683-L717 HydrophobicContact CB-CD2 3.89Å; K683-L717 HydrophobicContact CD-CD2 3.97Å; K683-L717 HydrophobicContact CG-CD2 4.4Å; L684-L717 HydrophobicContact CD2-CD1 4.27Å; L684-L717 HydrophobicContact CD2-CD2 4.47Å; Y687-L717 HydrophobicContact CD1-CD1 4.39Å; Y687-L717 HydrophobicContact CD2-CD1 4.01Å; Y687-L717 HydrophobicContact CD2-CD2 4.48Å; Y687-L717 HydrophobicContact CD2-CG 3.84Å; Y687-L717 HydrophobicContact CE2-CD1 4.26Å; Y687-L717 HydrophobicContact CE2-CG 3.98Å; Y687-L717 HydrophobicContact CG-CD1 4.08Å; Y687-L717 HydrophobicContact CG-CG 4.4Å; F715-L717 HydrophobicContact CE2-CD2 4.43Å; L717-L720 HydrophobicContact CB-CB 4.47Å; L717-L720 WeakPolarHBondContact CB-O 3.45Å; L717-L720 HydrophobicContact CD1-CB 4.29Å; L717-Y734 HydrophobicContact CD1-CD1 3.76Å; L717-Y734 HydrophobicContact CD1-CE1 3.69Å
718D91.1Very high92.7Very high108 Ų10856.4 Ų56.458%0.57828%0.277SS*.SBendtrans-92.3-30.1-172.8-58.8-69.9000111.2E606 K683E606-D718 PolarHBondContact OE1-N 2.85Å; K683-D718 IonicContact NZ-OD2 3.62Å; K683-D718 PolarHBondContact NZ-OD2 2.73Å
719Y92.8Very high92.8Very high70 Ų7057.9 Ų57.928%0.27528%0.279SS..SBendtrans-122.3-2.2-171.6-57.8-80.5000114.4E606 S607 Y610 L737E606-Y719 HydrophobicContact CB-CD2 4.26Å; E606-Y719 HydrophobicContact CG-CD2 3.85Å; E606-Y719 PolarHBondContact OE1-N 3.24Å; S607-Y719 PolarHBondContact OG-OH 3.36Å; Y610-Y719 AromaticContact CD1-CD1 3.37Å; Y610-Y719 HydrophobicContact CD1-CD1 3.37Å; Y610-Y719 AromaticContact CD1-CE1 3.72Å; Y610-Y719 HydrophobicContact CD1-CE1 3.72Å; Y610-Y719 AromaticContact CD1-CG 3.96Å; Y610-Y719 HydrophobicContact CD1-CG 3.96Å; Y610-Y719 HydrophobicContact CD2-CD1 4.05Å; Y610-Y719 AromaticContact CD2-CG 3.98Å; Y610-Y719 HydrophobicContact CD2-CG 3.98Å; Y610-Y719 AromaticContact CE1-CD1 3.51Å; Y610-Y719 HydrophobicContact CE1-CD1 3.51Å; Y610-Y719 AromaticContact CE1-CE1 3.98Å; Y610-Y719 HydrophobicContact CE1-CE1 3.98Å; Y610-Y719 HydrophobicContact CE1-CG 4.38Å; Y610-Y719 HydrophobicContact CE2-CD1 4.16Å; Y610-Y719 HydrophobicContact CE2-CG 4.38Å; Y610-Y719 AromaticContact CG-CD1 3.65Å; Y610-Y719 HydrophobicContact CG-CD1 3.65Å; Y610-Y719 HydrophobicContact CG-CD2 4.47Å; Y610-Y719 HydrophobicContact CG-CE1 4.32Å; Y610-Y719 AromaticContact CG-CG 3.73Å; Y610-Y719 HydrophobicContact CG-CG 3.73Å; Y610-Y719 AromaticContact CZ-CD1 3.9Å; Y719-L737 WeakPolarHBondContact O-CB 3.36Å; Y719-L737 PolarHBondContact O-N 3.01Å
720L94.6Very high92.9Very high5 Ų555.3 Ų55.33%0.02627%0.267CS..EExtended strand (participates in β ladder)trans-137.6137.8-172.8-74.1133.6000111.1E606 V621 L680 L684 L717 R735 V736E606-L720 HydrophobicContact CG-CD1 4.26Å; V621-L720 HydrophobicContact CB-CD2 4.49Å; V621-L720 HydrophobicContact CG2-CD2 3.87Å; L680-L720 HydrophobicContact CD1-CD1 3.69Å; L684-L720 HydrophobicContact CD2-CD1 4.32Å; L717-L720 HydrophobicContact CB-CB 4.47Å; L717-L720 WeakPolarHBondContact CB-O 3.45Å; L717-L720 HydrophobicContact CD1-CB 4.29Å; L720-R735 WeakPolarHBondContact CA-O 3.15Å; L720-V736 HydrophobicContact CD2-CG2 4.06Å
721E95.2Very high93.1Very high72 Ų7255.3 Ų55.334%0.33627%0.267SS..EExtended strand (participates in β ladder)trans-109.7145.3173.865-177.3-178.600111.7A723 Y734 R735 L737E721-A723 PolarHBondContact O-N 2.98Å; E721-Y734 CarbonylContact O-C 3.59Å; E721-Y734 VanDerWaalsContact O-CA 3.26Å; E721-Y734 WeakPolarHBondContact O-CA 3.42Å; E721-R735 HydrophobicContact CG-CB 3.81Å; E721-R735 HydrophobicContact CG-CG 4.34Å; E721-R735 PolarHBondContact N-O 2.88Å; E721-R735 PolarHBondContact O-N 3.46Å; E721-R735 VanDerWaalsContact OE1-CD 3.23Å; E721-R735 WeakPolarHBondContact OE1-CD 3.33Å; E721-R735 IonicContact OE1-CZ 3.32Å; E721-R735 VanDerWaalsContact OE1-CZ 3.32Å; E721-R735 IonicContact OE1-NE 3.56Å; E721-R735 IonicContact OE1-NH1 2.63Å; E721-R735 PolarHBondContact OE1-NH1 3.28Å; E721-L737 HydrophobicContact CB-CD2 4.1Å; E721-L737 HydrophobicContact CG-CD2 3.93Å
722E96.3Very high93.4Very high57 Ų5754.6 Ų54.627%0.26626%0.259SS..EExtended strand (participates in β ladder)trans-72.1109.1173.3178.9172-146.100109.4Y687 R688 T725 R732 Y734Y687-E722 HydrophobicContact CD1-CB 4.11Å; Y687-E722 HydrophobicContact CE1-CB 3.84Å; Y687-E722 WeakPolarHBondContact CE1-OE2 3.44Å; R688-E722 IonicContact NH1-OE2 3.57Å; E722-T725 WeakPolarHBondContact OE1-CB 3.29Å; E722-T725 PolarHBondContact OE1-OG1 2.97Å; E722-R732 IonicContact OE1-CZ 2.65Å; E722-R732 IonicContact OE1-NE 2.66Å; E722-R732 IonicContact OE1-NH2 2.69Å; E722-R732 PolarHBondContact OE1-NH2 2.7Å; E722-Y734 HydrophobicContact CB-CD1 4.26Å; E722-Y734 HydrophobicContact CB-CE1 3.89Å; E722-Y734 HydrophobicContact CG-CE1 4.29Å
723A96.3Very high93.8Very high34 Ų3450.8 Ų50.828%0.28125%0.245SC..EExtended strand (participates in β ladder)trans-96.8-37.4-174.900000112.7W554 Y620 E721 I733 R735W554-A723 HydrophobicContact CH2-CB 4.01Å; Y620-A723 HydrophobicContact CE1-CB 4.27Å; E721-A723 PolarHBondContact O-N 2.98Å; A723-I733 PolarHBondContact N-O 3.01Å; A723-R735 HydrophobicContact CB-CB 3.89Å
724F97.2Very high94.3Very high36 Ų3648.4 Ų48.416%0.15824%0.235CC..EExtended strand (participates in β ladder)trans-153.9138.5172.8-178-101.7000111.4E550 A551 W554 I733E550-F724 HydrophobicContact CG-CE1 4.47Å; E550-F724 HydrophobicContact CG-CZ 3.93Å; A551-F724 HydrophobicContact CB-CD1 4.22Å; A551-F724 HydrophobicContact CB-CE1 3.91Å; W554-F724 HydrophobicContact CB-CD1 4.39Å; W554-F724 HydrophobicContact CB-CD2 4.42Å; W554-F724 HydrophobicContact CB-CE1 4.41Å; W554-F724 HydrophobicContact CB-CE2 4.43Å; W554-F724 HydrophobicContact CB-CG 4.4Å; W554-F724 HydrophobicContact CB-CZ 4.43Å; W554-F724 AromaticContact CD1-CD2 3.37Å; W554-F724 AromaticContact CD1-CE2 3.75Å; W554-F724 AromaticContact CD1-CG 3.91Å; W554-F724 HydrophobicContact CD2-CB 3.67Å; W554-F724 HydrophobicContact CD2-CD1 4.38Å; W554-F724 HydrophobicContact CD2-CD2 4.03Å; W554-F724 AromaticContact CD2-CG 3.76Å; W554-F724 HydrophobicContact CD2-CG 3.76Å; W554-F724 AromaticContact CE2-CG 4Å; W554-F724 HydrophobicContact CE3-CB 3.87Å; W554-F724 HydrophobicContact CE3-CG 4.26Å; W554-F724 HydrophobicContact CG-CB 4.24Å; W554-F724 HydrophobicContact CG-CD1 4.24Å; W554-F724 AromaticContact CG-CD2 3.71Å; W554-F724 HydrophobicContact CG-CD2 3.71Å; W554-F724 HydrophobicContact CG-CE2 4.11Å; W554-F724 AromaticContact CG-CG 3.78Å; W554-F724 HydrophobicContact CG-CG 3.78Å; W554-F724 HydrophobicContact CH2-CB 4.1Å; W554-F724 HydrophobicContact CZ2-CB 3.87Å; W554-F724 HydrophobicContact CZ3-CB 4.09Å; W554-F724 AromaticContact NE1-CD2 3.57Å; F724-I733 HydrophobicContact CB-CB 4.28Å; F724-I733 HydrophobicContact CD1-CD1 4.24Å; F724-I733 PolarHBondContact N-O 2.72Å; F724-I733 PolarHBondContact O-N 3.44Å
725T96.7Very high94.8Very high30 Ų3047.1 Ų47.118%0.18422%0.219CC..EExtended strand (participates in β ladder)trans-130.3124.2168.2-76.80000107.6E722 W729 R732E722-T725 WeakPolarHBondContact OE1-CB 3.29Å; E722-T725 PolarHBondContact OE1-OG1 2.97Å; T725-W729 HydrophobicContact CG2-CB 4.07Å; T725-W729 HydrophobicContact CG2-CD2 3.9Å; T725-W729 HydrophobicContact CG2-CG 3.59Å; T725-R732 HydrophobicContact CG2-CG 4.14Å; T725-R732 PolarHBondContact OG1-NE 2.85Å
726S95.7Very high95.1Very high1 Ų146.2 Ų46.21%0.00722%0.217CC..  trans-60.8161.1-18052.20000113.5E550 H728 W729 L730 V731E550-S726 WeakPolarHBondContact OE2-CB 3.34Å; S726-H728 VanDerWaalsContact C-N 3.31Å; S726-H728 PolarHBondContact O-N 3.35Å; S726-H728 VanDerWaalsContact O-N 3.16Å; S726-W729 WeakPolarHBondContact O-CA 3.4Å; S726-W729 PolarHBondContact O-N 2.94Å; S726-L730 PolarHBondContact OG-N 2.76Å; S726-L730 VanDerWaalsContact OG-N 3.17Å; S726-V731 WeakPolarHBondContact CB-O 3.4Å; S726-V731 PolarHBondContact N-O 3.37Å; S726-V731 PolarHBondContact OG-N 2.87Å; S726-V731 PolarHBondContact OG-O 2.98Å
727K93.5Very high95.2Very high153 Ų15341.3 Ų41.367%0.66520%0.196SC*.THydrogen-bonded Turntrans-51.4-42.5-171.1-179.4178.9170.5-173.60114.6D547 E550D547-K727 PolarHBondContact OD1-N 3.36Å; E550-K727 PolarHBondContact OE2-N 3.35Å
728H92.1Very high95Very high41 Ų4144.4 Ų44.419%0.1922%0.217CC..THydrogen-bonded Turntrans-104.918.8178.8-42.7100000112.6D547 Y628 I629 S726 L730D547-H728 VanDerWaalsContact CG-ND1 3.27Å; D547-H728 WeakPolarHBondContact OD1-CB 3.44Å; D547-H728 IonicContact OD1-CE1 3.63Å; D547-H728 IonicContact OD1-CG 3.99Å; D547-H728 PolarHBondContact OD1-N 2.88Å; D547-H728 IonicContact OD1-ND1 3.57Å; D547-H728 PolarHBondContact OD1-ND1 2.94Å; D547-H728 IonicContact OD2-CE1 2.77Å; D547-H728 IonicContact OD2-CG 2.68Å; D547-H728 IonicContact OD2-ND1 3.97Å; D547-H728 PolarHBondContact OD2-ND1 2.97Å; Y628-H728 WeakPolarHBondContact CB-O 3.35Å; Y628-H728 HydrophobicContact CD1-CB 4.46Å; I629-H728 HydrophobicContact CG2-CB 3.74Å; S726-H728 VanDerWaalsContact C-N 3.31Å; S726-H728 PolarHBondContact O-N 3.35Å; S726-H728 VanDerWaalsContact O-N 3.16Å; H728-L730 PolarHBondContact O-N 3.03Å
729W94.1Very high94.7Very high56 Ų5643.3 Ų43.321%0.21222%0.216CC..SBendtrans61.715.5178.7-67.432.6000115F625 F689 V692 T725 S726F625-W729 HydrophobicContact CD1-CB 4.43Å; F689-W729 HydrophobicContact CB-CZ3 4.12Å; F689-W729 AromaticContact CD2-CE3 3.95Å; F689-W729 HydrophobicContact CD2-CE3 3.95Å; F689-W729 AromaticContact CD2-CZ3 3.94Å; F689-W729 HydrophobicContact CD2-CZ3 3.94Å; V692-W729 HydrophobicContact CG2-CH2 3.53Å; V692-W729 HydrophobicContact CG2-CZ2 3.98Å; V692-W729 HydrophobicContact CG2-CZ3 3.96Å; T725-W729 HydrophobicContact CG2-CB 4.07Å; T725-W729 HydrophobicContact CG2-CD2 3.9Å; T725-W729 HydrophobicContact CG2-CG 3.59Å; S726-W729 WeakPolarHBondContact O-CA 3.4Å; S726-W729 PolarHBondContact O-N 2.94Å
730L94.7Very high94.2Very high0 Ų046 Ų460%023%0.231CC..SBendtrans-64.1-50.5-176.7-167.2163.6000111.7L533 D547 F548 I624 F625 I629 S726 H728L533-L730 HydrophobicContact CD1-CD1 3.74Å; D547-L730 HydrophobicContact CB-CB 3.65Å; D547-L730 HydrophobicContact CB-CD1 4.17Å; D547-L730 HydrophobicContact CB-CG 4.38Å; F548-L730 HydrophobicContact CD2-CD1 4.28Å; F548-L730 HydrophobicContact CD2-CD2 3.97Å; F548-L730 HydrophobicContact CE1-CD2 4.18Å; F548-L730 HydrophobicContact CE2-CD1 3.93Å; F548-L730 HydrophobicContact CE2-CD2 3.53Å; F548-L730 HydrophobicContact CE2-CG 4.44Å; F548-L730 HydrophobicContact CG-CD2 4.46Å; F548-L730 HydrophobicContact CZ-CD2 3.66Å; I624-L730 CarbonylContact C-O 3.6Å; I624-L730 WeakPolarHBondContact CA-O 3.49Å; I624-L730 HydrophobicContact CG2-CD2 3.98Å; F625-L730 PolarHBondContact N-O 2.74Å; F625-L730 WeakPolarHBondContact O-CA 3.35Å; I629-L730 HydrophobicContact CD1-CD1 3.68Å; I629-L730 HydrophobicContact CD1-CG 4.21Å; S726-L730 PolarHBondContact OG-N 2.76Å; S726-L730 VanDerWaalsContact OG-N 3.17Å; H728-L730 PolarHBondContact O-N 3.03Å
731V96.5Very high93.6Very high0 Ų053.6 Ų53.60%027%0.272CS..EExtended strand (participates in β ladder)trans-109.2134.1174.1-171.20000109.4F548 A551 L622 S726 I733F548-V731 HydrophobicContact CD1-CG2 4.3Å; A551-V731 HydrophobicContact CB-CB 3.62Å; A551-V731 HydrophobicContact CB-CG1 3.57Å; A551-V731 HydrophobicContact CB-CG2 4.15Å; L622-V731 HydrophobicContact CD1-CG1 3.98Å; L622-V731 HydrophobicContact CD2-CG1 3.97Å; L622-V731 HydrophobicContact CG-CG1 3.84Å; S726-V731 WeakPolarHBondContact CB-O 3.4Å; S726-V731 PolarHBondContact N-O 3.37Å; S726-V731 PolarHBondContact OG-N 2.87Å; S726-V731 PolarHBondContact OG-O 2.98Å; V731-I733 HydrophobicContact CG1-CG1 4.44Å
732R97.4Very high92.8Very high0 Ų057.1 Ų57.10%029%0.292CS..EExtended strand (participates in β ladder)trans-127.8135.5175.1-49.5-171.276.5178.30.3109.5V623 S685 Y687 E722 T725 Y734V623-R732 HydrophobicContact CG2-CB 4.13Å; V623-R732 PolarHBondContact N-O 3.46Å; V623-R732 PolarHBondContact O-N 3.3Å; S685-R732 PolarHBondContact O-NH1 2.98Å; Y687-R732 PolarHBondContact O-NH1 2.83Å; Y687-R732 PolarHBondContact O-NH2 3.41Å; E722-R732 IonicContact OE1-CZ 2.65Å; E722-R732 IonicContact OE1-NE 2.66Å; E722-R732 IonicContact OE1-NH2 2.69Å; E722-R732 PolarHBondContact OE1-NH2 2.7Å; T725-R732 HydrophobicContact CG2-CG 4.14Å; T725-R732 PolarHBondContact OG1-NE 2.85Å; R732-Y734 HydrophobicContact CB-CE2 3.73Å; R732-Y734 PolarHBondContact NE-OH 2.96Å; R732-Y734 PolarHBondContact NH2-OH 3.19Å
733I97.7Very high91.7Very high0 Ų059.7 Ų59.70%031%0.313CS..EExtended strand (participates in β ladder)trans-123.1120-177.3-53.5175.3000108.2A551 W554 L555 Y620 V621 L622 A723 F724 V731A551-I733 HydrophobicContact CB-CD1 4.26Å; W554-I733 HydrophobicContact CE3-CD1 3.76Å; W554-I733 HydrophobicContact CZ3-CB 4.49Å; W554-I733 HydrophobicContact CZ3-CD1 4.07Å; W554-I733 HydrophobicContact CZ3-CG2 4.08Å; L555-I733 HydrophobicContact CB-CD1 4.35Å; L555-I733 HydrophobicContact CD1-CD1 4.47Å; Y620-I733 HydrophobicContact CD1-CG2 3.95Å; Y620-I733 HydrophobicContact CG-CG2 4.48Å; V621-I733 WeakPolarHBondContact O-CA 3.49Å; L622-I733 HydrophobicContact CD1-CD1 4.31Å; L622-I733 HydrophobicContact CD1-CG1 4.14Å; L622-I733 HydrophobicContact CG-CG1 4.21Å; A723-I733 PolarHBondContact N-O 3.01Å; F724-I733 HydrophobicContact CB-CB 4.28Å; F724-I733 HydrophobicContact CD1-CD1 4.24Å; F724-I733 PolarHBondContact N-O 2.72Å; F724-I733 PolarHBondContact O-N 3.44Å; V731-I733 HydrophobicContact CG1-CG1 4.44Å
734Y97.8Very high90.3Very high0 Ų065 Ų650%033%0.332CS..EExtended strand (participates in β ladder)trans-105.2146.1176.4-65-88.9000109.7Y620 V621 V623 L684 Y687 L717 E721 E722 R732Y620-Y734 CarbonylContact C-O 3.59Å; Y620-Y734 VanDerWaalsContact CA-O 3.25Å; Y620-Y734 WeakPolarHBondContact CA-O 3.05Å; V621-Y734 PolarHBondContact N-O 3.49Å; V621-Y734 PolarHBondContact O-N 2.86Å; V623-Y734 HydrophobicContact CG2-CD2 4.38Å; V623-Y734 HydrophobicContact CG2-CE2 4.03Å; L684-Y734 HydrophobicContact CB-CD2 4.28Å; L684-Y734 HydrophobicContact CB-CE2 4.05Å; L684-Y734 HydrophobicContact CD1-CD2 4.47Å; L684-Y734 HydrophobicContact CD2-CD1 3.93Å; L684-Y734 HydrophobicContact CD2-CD2 3.75Å; L684-Y734 HydrophobicContact CD2-CE1 4.26Å; L684-Y734 HydrophobicContact CD2-CE2 4.09Å; L684-Y734 HydrophobicContact CD2-CG 3.68Å; L684-Y734 HydrophobicContact CG-CD2 4.38Å; L684-Y734 PolarHBondContact O-OH 3.38Å; Y687-Y734 HydrophobicContact CD1-CE1 4.08Å; Y687-Y734 HydrophobicContact CG-CE1 4.45Å; L717-Y734 HydrophobicContact CD1-CD1 3.76Å; L717-Y734 HydrophobicContact CD1-CE1 3.69Å; E721-Y734 CarbonylContact O-C 3.59Å; E721-Y734 VanDerWaalsContact O-CA 3.26Å; E721-Y734 WeakPolarHBondContact O-CA 3.42Å; E722-Y734 HydrophobicContact CB-CD1 4.26Å; E722-Y734 HydrophobicContact CB-CE1 3.89Å; E722-Y734 HydrophobicContact CG-CE1 4.29Å; R732-Y734 HydrophobicContact CB-CE2 3.73Å; R732-Y734 PolarHBondContact NE-OH 2.96Å; R732-Y734 PolarHBondContact NH2-OH 3.19Å
735R97Very high88.8Confident109 Ų10969.9 Ų69.941%0.41136%0.359SS..EExtended strand (participates in β ladder)trans-105.3136.3174.1175169164.9-126.4-3.2109.3Y620 L720 E721 A723Y620-R735 HydrophobicContact CD1-CB 3.83Å; Y620-R735 HydrophobicContact CD1-CG 4.3Å; Y620-R735 HydrophobicContact CE1-CB 3.69Å; Y620-R735 HydrophobicContact CE1-CG 3.92Å; L720-R735 WeakPolarHBondContact CA-O 3.15Å; E721-R735 HydrophobicContact CG-CB 3.81Å; E721-R735 HydrophobicContact CG-CG 4.34Å; E721-R735 PolarHBondContact N-O 2.88Å; E721-R735 PolarHBondContact O-N 3.46Å; E721-R735 VanDerWaalsContact OE1-CD 3.23Å; E721-R735 WeakPolarHBondContact OE1-CD 3.33Å; E721-R735 IonicContact OE1-CZ 3.32Å; E721-R735 VanDerWaalsContact OE1-CZ 3.32Å; E721-R735 IonicContact OE1-NE 3.56Å; E721-R735 IonicContact OE1-NH1 2.63Å; E721-R735 PolarHBondContact OE1-NH1 3.28Å; A723-R735 HydrophobicContact CB-CB 3.89Å
736V96Very high87.1Confident19 Ų1973.9 Ų73.912%0.11539%0.388CS..EExtended strand (participates in β ladder)trans-75.3127.8178-177.40000108.6Y610 I613 V618 D619 V621 L720Y610-V736 HydrophobicContact CD2-CG1 4.26Å; Y610-V736 HydrophobicContact CE2-CG1 3.72Å; I613-V736 HydrophobicContact CG2-CB 4.29Å; I613-V736 HydrophobicContact CG2-CG1 3.69Å; I613-V736 HydrophobicContact CG2-CG2 3.53Å; V618-V736 HydrophobicContact CB-CG2 4.41Å; V618-V736 HydrophobicContact CG1-CG2 3.93Å; V618-V736 WeakPolarHBondContact O-CB 3.34Å; V618-V736 WeakPolarHBondContact O-CG2 3.45Å; D619-V736 PolarHBondContact O-N 2.88Å; V621-V736 HydrophobicContact CG2-CG2 4.13Å; L720-V736 HydrophobicContact CD2-CG2 4.06Å
737L93.6Very high85.4Confident54 Ų5483.8 Ų83.828%0.28343%0.426SS..PPolyproline II helixtrans-75.3144.3176-65.9177.4000110.5Y610 Y719 E721Y610-L737 PolarHBondContact OH-O 3.21Å; Y719-L737 WeakPolarHBondContact O-CB 3.36Å; Y719-L737 PolarHBondContact O-N 3.01Å; E721-L737 HydrophobicContact CB-CD2 4.1Å; E721-L737 HydrophobicContact CG-CD2 3.93Å
738P89.8Confident83.7Confident88 Ų8883 Ų8357%0.57143%0.433SS*.PPolyproline II helixtrans-61.3155.6170.429.6-35.7000110.5
739P85Confident82Confident84 Ų8492.7 Ų92.755%0.54547%0.468SS..PPolyproline II helixtrans-55.5149.1175.423.3-33.9000111.7Y610 N741Y610-P739 WeakPolarHBondContact OH-CA 3.45Å; P739-N741 PolarHBondContact O-N 2.85Å
740E81.8Confident80.4Confident126 Ų12699.8 Ų99.859%0.58950%0.495SS*.PPolyproline II helixtrans-52.8124179.3-64.1-170.4135.400111.2L742 P743 H744E740-L742 PolarHBondContact O-N 2.99Å; E740-P743 WeakPolarHBondContact OE2-CA 3.23Å; E740-H744 WeakPolarHBondContact OE1-CB 3.38Å; E740-H744 PolarHBondContact OE2-N 3.31Å
741N82.1Confident78.6Confident166 Ų166111.9 Ų111.989%0.88854%0.541SS*.SBendtrans-58.3-23.6176.9-71-48.6000113.1P739P739-N741 PolarHBondContact O-N 2.85Å
742L78.6Confident76.8Confident146 Ų146117.1 Ų117.176%0.76457%0.568SS**SBendtrans-143.9125.6177.2-79.2145.5000107.6E740 H744E740-L742 PolarHBondContact O-N 2.99Å; L742-H744 PolarHBondContact O-N 3.37Å
743P72.3Confident74.9Confident110 Ų110126.2 Ų126.271%0.71461%0.61SS**  trans-67.3125.9-175.426.6-34.6000112.1E740 L745E740-P743 WeakPolarHBondContact OE2-CA 3.23Å; P743-L745 PolarHBondContact O-N 2.85Å
744H67.1Low72.8Confident147 Ų147134.7 Ų134.768%0.68165%0.649SS**  trans-66.4123-177.3-175.1-89.9000112.7E740 L742 S746E740-H744 WeakPolarHBondContact OE1-CB 3.38Å; E740-H744 PolarHBondContact OE2-N 3.31Å; L742-H744 PolarHBondContact O-N 3.37Å; H744-S746 PolarHBondContact O-N 3.34Å
745L65.2Low71Confident137 Ų137146 Ų14672%0.71769%0.692SS**  trans-75.392.5179.6-72173.1000111.4P743 R747P743-L745 PolarHBondContact O-N 2.85Å; L745-R747 PolarHBondContact O-N 2.63Å
746S62Low69.2Low114 Ų114145.6 Ų145.680%0.79771%0.711SS**SBendtrans-55.1-7.8-179.663.90000116.8H744H744-S746 PolarHBondContact O-N 3.34Å
747R59.5Low67.5Low210 Ų210149.1 Ų149.179%0.79274%0.737SS**SBendtrans-134122.5167.1-74.8-177.1170.5171.3-2.5110.9L745 R749L745-R747 PolarHBondContact O-N 2.63Å; R747-R749 PolarHBondContact O-N 3.07Å
748T57.5Low66Low135 Ų135150.2 Ų150.283%0.82876%0.761SS**  trans-61.694.7165.16.40000109.4R750T748-R750 PolarHBondContact O-N 2.97Å
749R57.1Low64.7Low245 Ų245151.5 Ų151.593%0.92576%0.758SS**SBendtrans-60.8-2.7-176.9-83.4-171.7172.6-169.9-1.1115.2R747R747-R749 PolarHBondContact O-N 3.07Å
750R59.3Low63.9Low205 Ų205150.7 Ų150.777%0.77475%0.754SS**  trans-145112.6178.4-152.8173.6-165.8170.54.2110.1T748 I752T748-R750 PolarHBondContact O-N 2.97Å; R750-I752 VanDerWaalsContact C-N 3.29Å; R750-I752 HydrophobicContact CB-CG1 4.22Å; R750-I752 HydrophobicContact CG-CG1 3.97Å; R750-I752 PolarHBondContact O-N 3.2Å
751R57.6Low63.3Low254 Ų254156.8 Ų156.896%0.95877%0.772SS**  trans-70.987.3164.1-79.7-173.8174.8-178.4-1.3108.7
752I58.8Low62.6Low111 Ų111157.2 Ų157.257%0.56977%0.773SS**  trans-79.8126.8169.2-57.3178.7000107.3R750 H754R750-I752 VanDerWaalsContact C-N 3.29Å; R750-I752 HydrophobicContact CB-CG1 4.22Å; R750-I752 HydrophobicContact CG-CG1 3.97Å; R750-I752 PolarHBondContact O-N 3.2Å; I752-H754 PolarHBondContact O-CD2 2.96Å; I752-H754 PolarHBondContact O-N 3.49Å
753H58.3Low62Low191 Ų191154.1 Ų154.188%0.88476%0.758SS**  trans-65.8101.3168-94.6-81.5000108.9R755H753-R755 PolarHBondContact O-N 3.34Å
754H53.3Low61.9Low177 Ų177154.9 Ų154.982%0.81976%0.756SS**  trans-64.1103.4171.1-76.3-92.7000109.3I752 A756I752-H754 PolarHBondContact O-CD2 2.96Å; I752-H754 PolarHBondContact O-N 3.49Å; H754-A756 PolarHBondContact O-N 3.44Å
755R58.8Low61.8Low238 Ų238158.6 Ų158.690%0.89876%0.763SS**  trans-59.1134.9155.2-80.6-176.5168.5173.9-3.3107.6H753 S757H753-R755 PolarHBondContact O-N 3.34Å; R755-S757 PolarHBondContact O-N 3Å
756A60.5Low62Low100 Ų100154.7 Ų154.783%0.82676%0.756SS**  trans-53.8132.4176.400000110.3H754 G758H754-A756 PolarHBondContact O-N 3.44Å; A756-G758 PolarHBondContact O-N 3.18Å
757S59.2Low62.3Low94 Ų94160.8 Ų160.866%0.65776%0.762SS**  trans-67.9114.7-178.31790000110.2R755 K759R755-S757 PolarHBondContact O-N 3Å; S757-K759 PolarHBondContact O-N 3.1Å; S757-K759 VanDerWaalsContact O-N 3.1Å; S757-K759 PolarHBondContact OG-N 3.35Å
758G61.9Low62.6Low76 Ų76159 Ų15978%0.78477%0.767SS**  trans-70.35.217400000114.9A756 S760A756-G758 PolarHBondContact O-N 3.18Å; G758-S760 PolarHBondContact O-N 3.43Å
759K62.6Low63.1Low115 Ų115159.6 Ų159.650%0.577%0.765SS.*  trans-79.8104.6174.5-66.8-173.9174.9-1720110.3S757 N764S757-K759 PolarHBondContact O-N 3.1Å; S757-K759 VanDerWaalsContact O-N 3.1Å; S757-K759 PolarHBondContact OG-N 3.35Å; K759-N764 WeakPolarHBondContact CE-O 3.39Å
760S69.2Low63.1Low68 Ų68153.8 Ų153.848%0.47676%0.757SS.*  trans-79.3164.7158.770.40000110G758 L762 N763G758-S760 PolarHBondContact O-N 3.43Å; S760-L762 PolarHBondContact O-N 2.97Å; S760-L762 PolarHBondContact OG-N 3.43Å; S760-N763 PolarHBondContact O-N 3.47Å
761R68Low63.3Low254 Ų254149.9 Ų149.996%0.95876%0.759SS**THydrogen-bonded Turntrans-54.8-18.6172.9-90.4-174.6171.2-178.9-2.8114
762L67.5Low62.8Low174 Ų174149.4 Ų149.491%0.91177%0.772SS**THydrogen-bonded Turntrans-94.8-10.3179.6-72.9161.8000113.8S760S760-L762 PolarHBondContact O-N 2.97Å; S760-L762 PolarHBondContact OG-N 3.43Å
763N67.1Low63Low82 Ų82151.3 Ų151.344%0.43978%0.782SS.*  trans-138.890.9-177.2-168.4-1000112.6S760 R765S760-N763 PolarHBondContact O-N 3.47Å; N763-R765 VanDerWaalsContact C-N 3.33Å; N763-R765 PolarHBondContact O-N 2.99Å; N763-R765 PolarHBondContact OD1-N 3.09Å
764N69.3Low63.3Low126 Ų126149.2 Ų149.267%0.67478%0.777SS**  trans-80.1-5.3-179.6-79.1-27.2000114.8K759 G766K759-N764 WeakPolarHBondContact CE-O 3.39Å; N764-G766 PolarHBondContact O-N 3.46Å; N764-G766 VanDerWaalsContact O-N 3.09Å
765R65.8Low63.8Low224 Ų224147.7 Ų147.785%0.84578%0.775SS**  trans-66.1110.4-179.3-75.4-174.6170.4-178.6-2.6110.8N763N763-R765 VanDerWaalsContact C-N 3.33Å; N763-R765 PolarHBondContact O-N 2.99Å; N763-R765 PolarHBondContact OD1-N 3.09Å
766G69.3Low64.1Low55 Ų55142.4 Ų142.457%0.56777%0.767SS**PPolyproline II helixtrans-70.3150.1163.300000110.7N764N764-G766 PolarHBondContact O-N 3.46Å; N764-G766 VanDerWaalsContact O-N 3.09Å
767R67.4Low64.3Low243 Ų243145 Ų14592%0.91776%0.764SS**PPolyproline II helixtrans-84.6125.9164.3-72.7-175.5175.7-178-2.1108.8
768L65.6Low64.7Low171 Ų171148.4 Ų148.490%0.89577%0.771SS**PPolyproline II helixtrans-72.1128.4154.4-76.5162.9000107.1T770L768-T770 PolarHBondContact O-N 3.33Å
769N68.2Low64.9Low149 Ų149153.6 Ų153.680%0.79777%0.77SS**  trans-78.5115.3164.3-70.5-12.6000106.8
770T57.9Low65.1Low123 Ų123156.5 Ų156.576%0.75579%0.791SS**  trans-62.7134.616146.60000108.3L768L768-T770 PolarHBondContact O-N 3.33Å
771P63.6Low64.7Low123 Ų123163.9 Ų163.980%0.79982%0.817SS**  trans-61155.4164.529-33.5000109.8
772I46.9Very low64.4Low243 Ų243155.7 Ų155.7100%1.24680%0.804SS**  trans-88.20166.3-57.8174.6000107

Retrieved 772 of 772 residues in 472.2 ms (Link to these results)

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