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Purine nucleoside phosphorylase

The purine nucleoside phosphorylases catalyze the phosphorolytic breakdown of the N-glycosidic bond in the beta-(deoxy)ribonucleoside molecules, with the formation of the corresponding free purine bases and pentose-1-phosphate.

AlphaFold DB , UniProt , Accession A0A5K4F407, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 287 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
1M43.4Very low80.1Confident240 Ų24087.9 Ų87.9100%1.18245%0.452SS*.  0113.60-82.6-176.5-84.900107E3M1-E3 PolarHBondContact O-N 3.22Å
2H52.1Low81.5Confident167 Ų16780.6 Ų80.677%0.77341%0.414SS*.  trans-61.4131.7165.5-66.8-69.7000107S4H2-S4 PolarHBondContact O-N 3.13Å
3E55.7Low82.8Confident156 Ų15684.1 Ų84.173%0.72943%0.425SS*.  trans-49.9137170.6-79.7-179.1153.600108.8M1 V5M1-E3 PolarHBondContact O-N 3.22Å; E3-V5 PolarHBondContact O-N 2.88Å
4S76.6Confident83.8Confident102 Ų10287.9 Ų87.971%0.71344%0.437SS*.  trans-62.9107.4-17964.30000108.7H2 T6H2-S4 PolarHBondContact O-N 3.13Å; S4-T6 PolarHBondContact O-N 3.45Å; S4-T6 VanDerWaalsContact O-N 3.16Å
5V86.4Confident84.7Confident23 Ų2382.1 Ų82.114%0.13941%0.409CS..  trans-61.5118.9175.4175.50000108E3 D96 T97 L100E3-V5 PolarHBondContact O-N 2.88Å; V5-D96 WeakPolarHBondContact O-CB 3.41Å; V5-T97 HydrophobicContact CB-CG2 4.09Å; V5-T97 HydrophobicContact CG1-CG2 4.32Å; V5-T97 HydrophobicContact CG2-CG2 4.31Å; V5-L100 HydrophobicContact CG1-CB 4.18Å; V5-L100 HydrophobicContact CG1-CD2 3.57Å; V5-L100 HydrophobicContact CG1-CG 4.39Å
6T91.9Very high85.5Confident48 Ų4877.3 Ų77.329%0.29439%0.385SS..  trans-105.6140.2174.254.60000109.6S4 N11S4-T6 PolarHBondContact O-N 3.45Å; S4-T6 VanDerWaalsContact O-N 3.16Å; T6-N11 PolarHBondContact O-ND2 2.92Å
7A94.4Very high86.2Confident0 Ų078.8 Ų78.80%039%0.391CS..  trans-101.329.6177.700000112.5V12 D96 A99 L100 R103 Q154A7-V12 WeakPolarHBondContact O-CG2 3.19Å; A7-D96 HydrophobicContact CB-CB 4.15Å; A7-D96 WeakPolarHBondContact CB-O 3.37Å; A7-D96 WeakPolarHBondContact CB-OD1 3.46Å; A7-D96 PolarHBondContact N-OD1 3.4Å; A7-A99 HydrophobicContact CB-CB 4.04Å; A7-L100 HydrophobicContact CB-CB 4.11Å; A7-L100 HydrophobicContact CB-CD1 4.48Å; A7-R103 PolarHBondContact O-NH1 3.16Å; A7-Q154 PolarHBondContact O-NE2 3.24Å; A7-Q154 PolarHBondContact O-OE1 3.16Å; A7-Q154 VanDerWaalsContact O-OE1 3.1Å
8N94Very high86.9Confident64 Ų6477.6 Ų77.634%0.34238%0.384SS..  trans-67.8156.1173.870.230.9000111.9E10 N11 V12N8-E10 PolarHBondContact O-N 3.15Å; N8-E10 VanDerWaalsContact O-N 3.16Å; N8-E10 PolarHBondContact OD1-N 3.44Å; N8-N11 PolarHBondContact O-N 3.46Å; N8-N11 VanDerWaalsContact O-N 3.13Å; N8-N11 WeakPolarHBondContact OD1-CB 3.47Å; N8-N11 PolarHBondContact OD1-N 3.1Å; N8-V12 WeakPolarHBondContact O-CG2 3.22Å; N8-V12 PolarHBondContact O-N 2.68Å
9I95.5Very high87.5Confident25 Ų2573.5 Ų73.513%0.12836%0.363CS..Hα-helixtrans-55.2-36.3-175.1-173.559.9000113.6K13 L107 F157I9-K13 HydrophobicContact CD1-CD 4.4Å; I9-K13 HydrophobicContact CD1-CG 4.28Å; I9-K13 HydrophobicContact CG1-CD 4.17Å; I9-K13 HydrophobicContact CG1-CG 4.48Å; I9-K13 VanDerWaalsContact O-CB 3.31Å; I9-K13 WeakPolarHBondContact O-CB 3.25Å; I9-K13 VanDerWaalsContact O-CG 3.25Å; I9-K13 WeakPolarHBondContact O-CG 3.33Å; I9-K13 PolarHBondContact O-N 3.04Å; I9-L107 HydrophobicContact CD1-CD1 4.29Å; I9-F157 HydrophobicContact CB-CE2 4.15Å; I9-F157 HydrophobicContact CD1-CE1 4.21Å; I9-F157 HydrophobicContact CD1-CE2 3.66Å; I9-F157 HydrophobicContact CD1-CZ 3.44Å; I9-F157 VanDerWaalsContact CD1-CZ 3.44Å; I9-F157 HydrophobicContact CG1-CE2 4.48Å
10E95.5Very high88Confident130 Ų13074.7 Ų74.761%0.60737%0.368SS*.Hα-helixtrans-65.3-47.8178.2-63.7-177.3-179.500111.8N8 K13 K14N8-E10 PolarHBondContact O-N 3.15Å; N8-E10 VanDerWaalsContact O-N 3.16Å; N8-E10 PolarHBondContact OD1-N 3.44Å; E10-K13 PolarHBondContact O-N 2.87Å; E10-K14 WeakPolarHBondContact O-CG 3.45Å; E10-K14 PolarHBondContact O-N 3.03Å
11N95.5Very high88.4Confident12 Ų1278.3 Ų78.36%0.06438%0.382CS..Hα-helixtrans-68.7-42178.3-168.447.2000111.2T6 N8 K13 K14 V15 N57T6-N11 PolarHBondContact O-ND2 2.92Å; N8-N11 PolarHBondContact O-N 3.46Å; N8-N11 VanDerWaalsContact O-N 3.13Å; N8-N11 WeakPolarHBondContact OD1-CB 3.47Å; N8-N11 PolarHBondContact OD1-N 3.1Å; N11-K13 VanDerWaalsContact C-N 3.3Å; N11-K13 PolarHBondContact O-N 3.25Å; N11-K14 WeakPolarHBondContact O-CB 3.18Å; N11-K14 PolarHBondContact O-N 3.34Å; N11-K14 VanDerWaalsContact O-N 3.15Å; N11-V15 WeakPolarHBondContact O-CG2 3.41Å; N11-V15 PolarHBondContact O-N 3.11Å; N11-N57 PolarHBondContact OD1-ND2 3.42Å
12V97.3Very high91Very high0 Ų070.5 Ų70.50%034%0.344CS..Hα-helixtrans-58.2-44.4175.7-178.60000110.4A7 N8 V15 A16 L100 R103 V104 L107 F157A7-V12 WeakPolarHBondContact O-CG2 3.19Å; N8-V12 WeakPolarHBondContact O-CG2 3.22Å; N8-V12 PolarHBondContact O-N 2.68Å; V12-V15 PolarHBondContact O-N 3.31Å; V12-A16 WeakPolarHBondContact O-CB 3.31Å; V12-A16 PolarHBondContact O-N 3.22Å; V12-L100 HydrophobicContact CG2-CD1 3.84Å; V12-R103 HydrophobicContact CB-CB 4.48Å; V12-R103 VanDerWaalsContact CG1-C 3.49Å; V12-R103 HydrophobicContact CG1-CB 3.75Å; V12-R103 HydrophobicContact CG2-CB 3.82Å; V12-V104 HydrophobicContact CG1-CG2 3.89Å; V12-L107 HydrophobicContact CB-CD1 4.24Å; V12-L107 HydrophobicContact CG1-CD1 3.56Å; V12-L107 HydrophobicContact CG1-CG 3.91Å; V12-F157 HydrophobicContact CB-CZ 4.1Å; V12-F157 HydrophobicContact CG1-CE1 4.49Å; V12-F157 HydrophobicContact CG1-CZ 3.91Å; V12-F157 HydrophobicContact CG2-CE2 4.41Å; V12-F157 HydrophobicContact CG2-CZ 4.09Å
13K97.6Very high93.1Very high126 Ų12663.1 Ų63.155%0.54831%0.311SS..Hα-helixtrans-61.4-43.5175.8-80.4175177.21740112.2I9 E10 N11 A16 H17 L107I9-K13 HydrophobicContact CD1-CD 4.4Å; I9-K13 HydrophobicContact CD1-CG 4.28Å; I9-K13 HydrophobicContact CG1-CD 4.17Å; I9-K13 HydrophobicContact CG1-CG 4.48Å; I9-K13 VanDerWaalsContact O-CB 3.31Å; I9-K13 WeakPolarHBondContact O-CB 3.25Å; I9-K13 VanDerWaalsContact O-CG 3.25Å; I9-K13 WeakPolarHBondContact O-CG 3.33Å; I9-K13 PolarHBondContact O-N 3.04Å; E10-K13 PolarHBondContact O-N 2.87Å; N11-K13 VanDerWaalsContact C-N 3.3Å; N11-K13 PolarHBondContact O-N 3.25Å; K13-A16 PolarHBondContact O-N 3.03Å; K13-H17 WeakPolarHBondContact O-CB 3.49Å; K13-H17 PolarHBondContact O-N 3.29Å; K13-L107 HydrophobicContact CB-CD1 4.4Å; K13-L107 HydrophobicContact CG-CD1 3.66Å
14K97.3Very high95Very high137 Ų13761 Ų6160%0.59631%0.314SS*.Hα-helixtrans-59.6-46.9176.8-74.1172.6-176.2172.90111.4E10 N11 H17 H18E10-K14 WeakPolarHBondContact O-CG 3.45Å; E10-K14 PolarHBondContact O-N 3.03Å; N11-K14 WeakPolarHBondContact O-CB 3.18Å; N11-K14 PolarHBondContact O-N 3.34Å; N11-K14 VanDerWaalsContact O-N 3.15Å; K14-H17 PolarHBondContact O-N 3.19Å; K14-H18 WeakPolarHBondContact O-CB 3.46Å; K14-H18 PolarHBondContact O-N 2.94Å
15V97.5Very high96Very high2 Ų257.6 Ų57.61%0.01229%0.287CS..Hα-helixtrans-64.4-48.4178.6175.30000111.2N11 V12 H17 H18 I19 I55 N57 F58 L100 V104N11-V15 WeakPolarHBondContact O-CG2 3.41Å; N11-V15 PolarHBondContact O-N 3.11Å; V12-V15 PolarHBondContact O-N 3.31Å; V15-H17 VanDerWaalsContact C-N 3.35Å; V15-H17 PolarHBondContact O-N 3.39Å; V15-H18 PolarHBondContact O-N 2.77Å; V15-I19 HydrophobicContact CG1-CD1 4.03Å; V15-I19 WeakPolarHBondContact O-CG1 3.34Å; V15-I19 PolarHBondContact O-N 2.9Å; V15-I55 HydrophobicContact CG1-CG2 3.81Å; V15-N57 HydrophobicContact CG2-CB 4.32Å; V15-F58 HydrophobicContact CG1-CD2 3.81Å; V15-F58 HydrophobicContact CG1-CE2 4.32Å; V15-L100 HydrophobicContact CG2-CD1 4.47Å; V15-L100 HydrophobicContact CG2-CD2 4.43Å; V15-V104 HydrophobicContact CB-CG2 3.88Å; V15-V104 HydrophobicContact CG1-CG1 4.16Å; V15-V104 HydrophobicContact CG1-CG2 3.55Å
16A97.8Very high96.6Very high4 Ų460.8 Ų60.83%0.03331%0.306CS..Hα-helixtrans-60.3-43.917800000111.8V12 K13 H18 I19 Q20 V104 L107 L108V12-A16 WeakPolarHBondContact O-CB 3.31Å; V12-A16 PolarHBondContact O-N 3.22Å; K13-A16 PolarHBondContact O-N 3.03Å; A16-H18 VanDerWaalsContact C-N 3.34Å; A16-H18 PolarHBondContact O-N 3.03Å; A16-I19 PolarHBondContact O-N 2.76Å; A16-Q20 VanDerWaalsContact O-CG 3.32Å; A16-Q20 WeakPolarHBondContact O-CG 3.16Å; A16-Q20 PolarHBondContact O-N 3.37Å; A16-V104 HydrophobicContact CB-CG1 4.35Å; A16-L107 HydrophobicContact CB-CB 3.93Å; A16-L107 HydrophobicContact CB-CD1 4.4Å; A16-L108 HydrophobicContact CB-CD2 4.27Å
17H97.6Very high96.9Very high103 Ų10358.6 Ų58.648%0.47729%0.293SS..Hα-helixtrans-66.4-35.1178.5-169.367.7000112.6K13 K14 V15 Q20 K21K13-H17 WeakPolarHBondContact O-CB 3.49Å; K13-H17 PolarHBondContact O-N 3.29Å; K14-H17 PolarHBondContact O-N 3.19Å; V15-H17 VanDerWaalsContact C-N 3.35Å; V15-H17 PolarHBondContact O-N 3.39Å; H17-Q20 PolarHBondContact O-N 3.37Å; H17-K21 VanDerWaalsContact CD2-CE 3.47Å; H17-K21 WeakPolarHBondContact CD2-CE 3.5Å; H17-K21 WeakPolarHBondContact NE2-CE 3.32Å; H17-K21 WeakPolarHBondContact O-CG 3.36Å; H17-K21 PolarHBondContact O-N 3.25Å
18H97.8Very high97Very high57 Ų5760.6 Ų60.626%0.26430%0.302SS..Hα-helixtrans-63.3-46.3172.2-176.683.1000111.5K14 V15 A16 Q20 K21 K54 P56K14-H18 WeakPolarHBondContact O-CB 3.46Å; K14-H18 PolarHBondContact O-N 2.94Å; V15-H18 PolarHBondContact O-N 2.77Å; A16-H18 VanDerWaalsContact C-N 3.34Å; A16-H18 PolarHBondContact O-N 3.03Å; H18-Q20 VanDerWaalsContact C-N 3.33Å; H18-Q20 PolarHBondContact O-N 3.37Å; H18-K21 WeakPolarHBondContact O-CB 3.44Å; H18-K21 PolarHBondContact O-N 3.04Å; H18-K21 VanDerWaalsContact O-N 3.13Å; H18-K54 PolarHBondContact NE2-O 3.16Å; H18-K54 VanDerWaalsContact NE2-O 3.1Å; H18-P56 WeakPolarHBondContact CD2-CD 3.27Å; H18-P56 VanDerWaalsContact NE2-CD 3.27Å; H18-P56 WeakPolarHBondContact NE2-CD 3.44Å
19I97.9Very high97.3Very high0 Ų057.5 Ų57.50%029%0.286CS..Hα-helixtrans-61-42.4177-68.5165.4000111.1V15 A16 K21 L22 T23 I50 I55 L70 F72 V104 L108V15-I19 HydrophobicContact CG1-CD1 4.03Å; V15-I19 WeakPolarHBondContact O-CG1 3.34Å; V15-I19 PolarHBondContact O-N 2.9Å; A16-I19 PolarHBondContact O-N 2.76Å; I19-K21 PolarHBondContact O-N 3.46Å; I19-K21 VanDerWaalsContact O-N 3.16Å; I19-L22 WeakPolarHBondContact O-CA 3.43Å; I19-L22 WeakPolarHBondContact O-CB 3.43Å; I19-L22 PolarHBondContact O-N 3.26Å; I19-T23 HydrophobicContact CG2-CG2 4.2Å; I19-T23 PolarHBondContact O-N 2.96Å; I19-I50 HydrophobicContact CG2-CD1 4.29Å; I19-I55 HydrophobicContact CD1-CD1 4.2Å; I19-I55 HydrophobicContact CD1-CG2 4.28Å; I19-I55 HydrophobicContact CG1-CD1 4.17Å; I19-I55 HydrophobicContact CG1-CG1 4.44Å; I19-I55 HydrophobicContact CG1-CG2 4.12Å; I19-L70 HydrophobicContact CD1-CD1 3.75Å; I19-F72 HydrophobicContact CG2-CE1 4.27Å; I19-F72 HydrophobicContact CG2-CE2 3.82Å; I19-F72 HydrophobicContact CG2-CZ 3.43Å; I19-F72 VanDerWaalsContact CG2-CZ 3.43Å; I19-V104 HydrophobicContact CD1-CG1 3.62Å; I19-L108 HydrophobicContact CB-CD2 4.4Å; I19-L108 HydrophobicContact CD1-CD1 4.34Å; I19-L108 HydrophobicContact CG2-CD1 3.99Å; I19-L108 HydrophobicContact CG2-CD2 4.1Å
20Q97.6Very high97.4Very high97 Ų9756.3 Ų56.345%0.45328%0.28SS..Hα-helixtrans-62-19.6177-74.1171.8-26.400114A16 H17 H18 T23 L108A16-Q20 VanDerWaalsContact O-CG 3.32Å; A16-Q20 WeakPolarHBondContact O-CG 3.16Å; A16-Q20 PolarHBondContact O-N 3.37Å; H17-Q20 PolarHBondContact O-N 3.37Å; H18-Q20 VanDerWaalsContact C-N 3.33Å; H18-Q20 PolarHBondContact O-N 3.37Å; Q20-T23 CarbonylContact C-O 3.58Å; Q20-L108 HydrophobicContact CG-CD2 3.72Å
21K97.4Very high97.5Very high151 Ų15150.2 Ų50.266%0.65725%0.251SS*.Hα-helixtrans-80.2-21.3171.6-68173-176.51780112.9H17 H18 I19H17-K21 VanDerWaalsContact CD2-CE 3.47Å; H17-K21 WeakPolarHBondContact CD2-CE 3.5Å; H17-K21 WeakPolarHBondContact NE2-CE 3.32Å; H17-K21 WeakPolarHBondContact O-CG 3.36Å; H17-K21 PolarHBondContact O-N 3.25Å; H18-K21 WeakPolarHBondContact O-CB 3.44Å; H18-K21 PolarHBondContact O-N 3.04Å; H18-K21 VanDerWaalsContact O-N 3.13Å; I19-K21 PolarHBondContact O-N 3.46Å; I19-K21 VanDerWaalsContact O-N 3.16Å
22L97.2Very high97.6Very high77 Ų7749.6 Ų49.640%0.40325%0.248SC..Hα-helixtrans-94.4-17.3-177.9-60.3177.3000112.6I19 I50I19-L22 WeakPolarHBondContact O-CA 3.43Å; I19-L22 WeakPolarHBondContact O-CB 3.43Å; I19-L22 PolarHBondContact O-N 3.26Å; L22-I50 HydrophobicContact CB-CD1 3.64Å; L22-I50 HydrophobicContact CB-CG1 4.35Å; L22-I50 HydrophobicContact CD1-CD1 4.09Å; L22-I50 HydrophobicContact CD1-CG1 4.46Å; L22-I50 HydrophobicContact CD1-CG2 3.75Å
23T97Very high97.5Very high12 Ų1249.6 Ų49.67%0.07425%0.248CC..  trans-149.1142178179.70000111.5I19 Q20 I25 I48 I50 F72I19-T23 HydrophobicContact CG2-CG2 4.2Å; I19-T23 PolarHBondContact O-N 2.96Å; Q20-T23 CarbonylContact C-O 3.58Å; T23-I25 WeakPolarHBondContact OG1-CB 3.33Å; T23-I25 PolarHBondContact OG1-N 3.43Å; T23-I25 VanDerWaalsContact OG1-N 3.11Å; T23-I48 WeakPolarHBondContact OG1-CD1 3.4Å; T23-I50 HydrophobicContact CG2-CD1 4.29Å; T23-F72 HydrophobicContact CG2-CD1 3.92Å; T23-F72 HydrophobicContact CG2-CD2 4.02Å; T23-F72 HydrophobicContact CG2-CE1 4.09Å; T23-F72 HydrophobicContact CG2-CE2 4.2Å; T23-F72 HydrophobicContact CG2-CG 3.9Å; T23-F72 HydrophobicContact CG2-CZ 4.25Å
24S95.6Very high97.1Very high112 Ų11243.8 Ų43.878%0.78322%0.224SC*.  trans-89.6-1.6171.258.30000113.2V26S24-V26 PolarHBondContact O-N 2.98Å
25I97.7Very high96.4Very high30 Ų3038 Ų3815%0.15420%0.2CC..  trans-76.8117.3-179.9-58.7176.7000108.9T23 P27 I48 F72 K79T23-I25 WeakPolarHBondContact OG1-CB 3.33Å; T23-I25 PolarHBondContact OG1-N 3.43Å; T23-I25 VanDerWaalsContact OG1-N 3.11Å; I25-P27 VanDerWaalsContact O-CD 3.24Å; I25-P27 WeakPolarHBondContact O-CD 3.3Å; I25-I48 HydrophobicContact CD1-CD1 4.11Å; I25-I48 HydrophobicContact CG1-CD1 4.48Å; I25-F72 HydrophobicContact CB-CB 4.26Å; I25-F72 HydrophobicContact CB-CD1 4.44Å; I25-F72 HydrophobicContact CD1-CB 4.01Å; I25-F72 HydrophobicContact CG2-CB 4.45Å; I25-F72 HydrophobicContact CG2-CD1 4.49Å; I25-K79 HydrophobicContact CG2-CB 4.1Å; I25-K79 HydrophobicContact CG2-CD 4.28Å; I25-K79 HydrophobicContact CG2-CG 4.25Å
26V97.9Very high95.7Very high89 Ų8938.6 Ų38.654%0.53921%0.207SC..  trans-91.6102169-177.90000107.7S24 K79 L108S24-V26 PolarHBondContact O-N 2.98Å; V26-K79 WeakPolarHBondContact O-CB 3.34Å; V26-K79 WeakPolarHBondContact O-CD 3.3Å; V26-L108 WeakPolarHBondContact CG1-O 3.44Å
27P98.2Very high95.1Very high2 Ų238.5 Ų38.51%0.01321%0.206CC..  trans-72.4146-178.532.3-38.1000111.5I25 F72 V81 L108 G109 V110I25-P27 VanDerWaalsContact O-CD 3.24Å; I25-P27 WeakPolarHBondContact O-CD 3.3Å; P27-F72 HydrophobicContact CG-CD1 4.41Å; P27-F72 HydrophobicContact CG-CE1 4.04Å; P27-V81 HydrophobicContact CB-CB 3.94Å; P27-V81 HydrophobicContact CB-CG1 3.75Å; P27-V81 HydrophobicContact CG-CB 4.05Å; P27-V81 HydrophobicContact CG-CG1 3.74Å; P27-L108 WeakPolarHBondContact CD-O 3.2Å; P27-L108 HydrophobicContact CG-CB 4.04Å; P27-G109 CarbonylContact O-C 3.55Å; P27-V110 HydrophobicContact CB-CG2 4.17Å; P27-V110 HydrophobicContact CG-CG2 3.94Å; P27-V110 PolarHBondContact O-N 2.99Å
28E97.7Very high94.4Very high42 Ų4234.2 Ų34.220%0.19619%0.19CC..SBendtrans-104.5-26.6171.350.7-177.7164.300111.5R78 K79 K111 I112E28-R78 WeakPolarHBondContact OE1-CA 3.41Å; E28-R78 WeakPolarHBondContact OE1-CB 3.38Å; E28-R78 WeakPolarHBondContact OE1-CD 3.48Å; E28-R78 IonicContact OE1-CZ 3.78Å; E28-R78 IonicContact OE1-NE 3.29Å; E28-R78 PolarHBondContact OE1-NE 2.9Å; E28-R78 IonicContact OE1-NH2 2.67Å; E28-R78 IonicContact OE2-CZ 2.69Å; E28-R78 VanDerWaalsContact OE2-CZ 3.29Å; E28-R78 IonicContact OE2-NE 2.88Å; E28-R78 PolarHBondContact OE2-NE 2.93Å; E28-R78 VanDerWaalsContact OE2-NE 3.1Å; E28-R78 IonicContact OE2-NH2 2.63Å; E28-R78 PolarHBondContact OE2-NH2 3.43Å; E28-K79 HydrophobicContact CG-CB 4.36Å; E28-K79 WeakPolarHBondContact CG-O 3.21Å; E28-K79 PolarHBondContact N-O 3.34Å; E28-K79 PolarHBondContact OE1-N 3.29Å; E28-K111 PolarHBondContact O-N 3.25Å; E28-I112 PolarHBondContact O-N 3.49Å
29I98.6Very high93.8Very high0 Ų035.7 Ų35.70%020%0.195CC..EExtended strand (participates in β ladder)trans-120.6125.8-180-60155.7000109.1I31 R78 K79 V80 V81 I112 M114 I281 L284I29-I31 HydrophobicContact CG2-CD1 4.49Å; I29-I31 HydrophobicContact CG2-CG1 3.97Å; I29-R78 HydrophobicContact CD1-CB 3.9Å; I29-R78 HydrophobicContact CD1-CG 4.34Å; I29-K79 PolarHBondContact N-O 3.22Å; I29-V80 HydrophobicContact CB-CG1 4.16Å; I29-V80 CarbonylContact O-C 3.57Å; I29-V80 VanDerWaalsContact O-CA 3.27Å; I29-V80 WeakPolarHBondContact O-CA 3.31Å; I29-V81 PolarHBondContact O-N 2.91Å; I29-I112 CarbonylContact C-O 3.57Å; I29-I112 VanDerWaalsContact CA-O 3.31Å; I29-I112 WeakPolarHBondContact CA-O 3.38Å; I29-I112 HydrophobicContact CG1-CB 4.26Å; I29-M114 HydrophobicContact CG2-CG 4.16Å; I29-M114 HydrophobicContact CG2-SD 4.1Å; I29-I281 HydrophobicContact CD1-CG1 4.16Å; I29-I281 HydrophobicContact CD1-CG2 3.75Å; I29-L284 HydrophobicContact CD1-CD1 3.7Å; I29-L284 HydrophobicContact CG1-CD1 4.36Å
30G98.5Very high93.1Very high0 Ų035.9 Ų35.90%020%0.196CC..EExtended strand (participates in β ladder)trans-94.4139.9167.900000109.5V81 V110 I112 L113 M114G30-V81 CarbonylContact C-O 3.31Å; G30-V81 WeakPolarHBondContact CA-O 3.29Å; G30-V110 VanDerWaalsContact N-CG1 3.29Å; G30-I112 PolarHBondContact N-O 3.28Å; G30-L113 CarbonylContact O-C 3.55Å; G30-L113 WeakPolarHBondContact O-CA 3.27Å; G30-M114 PolarHBondContact O-N 2.88Å
31I98.4Very high92.8Very high1 Ų131.2 Ų31.21%0.00518%0.175CC..EExtended strand (participates in β ladder)trans-128.7131.8177.6-52.9-178.7000108.8I29 L40 L75 V80 V81 V82 M83 M114 F277 I281I29-I31 HydrophobicContact CG2-CD1 4.49Å; I29-I31 HydrophobicContact CG2-CG1 3.97Å; I31-L40 HydrophobicContact CG2-CD2 3.24Å; I31-L40 HydrophobicContact CG2-CG 4.49Å; I31-L75 HydrophobicContact CD1-CD2 3.87Å; I31-V80 HydrophobicContact CD1-CB 4.42Å; I31-V80 HydrophobicContact CD1-CG1 4.37Å; I31-V81 PolarHBondContact N-O 3.26Å; I31-V82 HydrophobicContact CB-CB 4.44Å; I31-V82 HydrophobicContact CB-CG1 4.22Å; I31-V82 HydrophobicContact CB-CG2 4.12Å; I31-V82 HydrophobicContact CD1-CG2 4.25Å; I31-V82 HydrophobicContact CG2-CG1 4.32Å; I31-V82 CarbonylContact O-C 3.38Å; I31-V82 WeakPolarHBondContact O-CA 3.36Å; I31-M83 PolarHBondContact O-N 2.97Å; I31-M114 CarbonylContact C-O 3.59Å; I31-M114 VanDerWaalsContact CA-O 3.24Å; I31-M114 WeakPolarHBondContact CA-O 3.44Å; I31-M114 HydrophobicContact CG1-CB 4.4Å; I31-F277 HydrophobicContact CG2-CD1 4.18Å; I31-F277 HydrophobicContact CG2-CE1 4.12Å; I31-I281 HydrophobicContact CD1-CD1 3.91Å
32I97.8Very high92.5Very high0 Ų028.3 Ų28.30%017%0.166CC..EExtended strand (participates in β ladder)trans-117.8116.6176.4-46.6178.3000109.6M83 R86 I102 L113 M114 V115 S116 E226I32-M83 HydrophobicContact CB-CB 4.46Å; I32-M83 HydrophobicContact CD1-SD 4.42Å; I32-M83 HydrophobicContact CG1-CB 4.42Å; I32-M83 HydrophobicContact CG1-SD 4.23Å; I32-M83 HydrophobicContact CG2-CB 4.11Å; I32-R86 HydrophobicContact CG2-CB 3.93Å; I32-R86 PolarHBondContact O-NH2 2.86Å; I32-R86 VanDerWaalsContact O-NH2 3.12Å; I32-I102 HydrophobicContact CD1-CD1 3.52Å; I32-L113 HydrophobicContact CD1-CD1 4.05Å; I32-L113 HydrophobicContact CD1-CD2 4.13Å; I32-L113 HydrophobicContact CD1-CG 4.43Å; I32-L113 HydrophobicContact CG1-CD1 3.97Å; I32-M114 PolarHBondContact N-O 2.98Å; I32-V115 HydrophobicContact CB-CG1 4.31Å; I32-V115 HydrophobicContact CD1-CG2 4.18Å; I32-V115 HydrophobicContact CG1-CG2 4.48Å; I32-S116 PolarHBondContact O-N 3.35Å; I32-S116 PolarHBondContact O-OG 3.13Å; I32-E226 HydrophobicContact CD1-CB 4.11Å; I32-E226 HydrophobicContact CD1-CG 4.1Å
33C94.4Very high92.3Very high0 Ų025.3 Ų25.30%015%0.154CC..EExtended strand (participates in β ladder)trans-83.8130175.1-53.70000110.5V82 M83C33-V82 VanDerWaalsContact SG-CG1 3.51Å; C33-M83 PolarHBondContact N-O 3.26Å
34G88.4Confident92.2Very high4 Ų425 Ų254%0.04115%0.152CC..  trans-84.4-175.3167.100000113.2G36 L37 S116G34-G36 PolarHBondContact O-N 3.16Å; G34-L37 PolarHBondContact O-N 3.44Å; G34-L37 VanDerWaalsContact O-N 3.08Å; G34-S116 WeakPolarHBondContact CA-O 3.3Å; G34-S116 PolarHBondContact N-O 3.33Å
35S83.9Confident92.3Very high14 Ų1426.6 Ų26.610%0.09815%0.145CC..THydrogen-bonded Turntrans-52.7128.1177.7-55.10000112.3L37S35-L37 PolarHBondContact O-N 3.48Å
36G82Confident92.2Very high16 Ų1631.5 Ų31.517%0.16517%0.171CC..THydrogen-bonded Turntrans76.4-5.5179.600000115.4G34 G266G34-G36 PolarHBondContact O-N 3.16Å; G36-G266 CarbonylContact O-C 3.54Å
37L86.1Confident92.1Very high1 Ų131.2 Ų31.21%0.00516%0.163CC..  trans-104.713.7-175.5-59.9171.3000112.9G34 S35 K39 L40 S116 L242 M273G34-L37 PolarHBondContact O-N 3.44Å; G34-L37 VanDerWaalsContact O-N 3.08Å; S35-L37 PolarHBondContact O-N 3.48Å; L37-K39 PolarHBondContact O-N 3.18Å; L37-L40 VanDerWaalsContact O-CB 3.26Å; L37-L40 WeakPolarHBondContact O-CB 3.37Å; L37-L40 PolarHBondContact O-N 2.89Å; L37-L40 VanDerWaalsContact O-N 3.12Å; L37-S116 WeakPolarHBondContact CD1-OG 3.45Å; L37-L242 HydrophobicContact CD2-CD2 3.92Å; L37-M273 HydrophobicContact CB-SD 4.48Å; L37-M273 HydrophobicContact CD1-CE 3.63Å; L37-M273 HydrophobicContact CD1-SD 3.76Å; L37-M273 HydrophobicContact CD2-CE 3.78Å; L37-M273 HydrophobicContact CD2-SD 3.8Å; L37-M273 HydrophobicContact CG-CE 4.34Å; L37-M273 HydrophobicContact CG-SD 4.22Å
38G83.1Confident92Very high13 Ų1334 Ų3413%0.13418%0.177CC..G310 helixtrans-60.7-24.2-179.100000114.5L40 A41 Q84G38-L40 PolarHBondContact O-N 3.37Å; G38-A41 WeakPolarHBondContact O-CB 3.46Å; G38-A41 PolarHBondContact O-N 2.72Å; G38-Q84 PolarHBondContact O-NE2 3.2Å; G38-Q84 VanDerWaalsContact O-NE2 3.08Å
39K84.7Confident92Very high88 Ų8835.4 Ų35.438%0.38319%0.188SC..G310 helixtrans-67.3-13176.3-62-172.5176.2-177.80113.7L37 A41 D42 A270 Q274L37-K39 PolarHBondContact O-N 3.18Å; K39-A41 PolarHBondContact O-N 2.94Å; K39-A41 VanDerWaalsContact O-N 3.1Å; K39-D42 WeakPolarHBondContact CA-OD2 3.48Å; K39-D42 WeakPolarHBondContact CB-OD2 3.36Å; K39-D42 WeakPolarHBondContact O-CB 3.49Å; K39-D42 PolarHBondContact O-N 3.06Å; K39-A270 HydrophobicContact CB-CB 3.97Å; K39-A270 HydrophobicContact CD-CB 4.09Å; K39-A270 HydrophobicContact CG-CB 4.35Å; K39-Q274 PolarHBondContact O-OE1 3.39Å
40L83.6Confident92Very high4 Ų435.7 Ų35.72%0.02119%0.19CC..G310 helixtrans-54.8-30170.9-164.884.2000111.9I31 L37 G38 D42 M273 Q274 F277I31-L40 HydrophobicContact CG2-CD2 3.24Å; I31-L40 HydrophobicContact CG2-CG 4.49Å; L37-L40 VanDerWaalsContact O-CB 3.26Å; L37-L40 WeakPolarHBondContact O-CB 3.37Å; L37-L40 PolarHBondContact O-N 2.89Å; L37-L40 VanDerWaalsContact O-N 3.12Å; G38-L40 PolarHBondContact O-N 3.37Å; L40-D42 PolarHBondContact O-N 3.32Å; L40-M273 HydrophobicContact CD1-CG 4.04Å; L40-M273 HydrophobicContact CD1-SD 4.47Å; L40-Q274 VanDerWaalsContact CD1-CA 3.46Å; L40-Q274 HydrophobicContact CD1-CB 4.09Å; L40-F277 HydrophobicContact CD1-CB 4.09Å; L40-F277 HydrophobicContact CD1-CD1 4.05Å; L40-F277 HydrophobicContact CD1-CD2 4.43Å; L40-F277 HydrophobicContact CD1-CG 3.94Å; L40-F277 HydrophobicContact CD2-CD1 3.79Å; L40-F277 HydrophobicContact CD2-CE1 3.97Å; L40-F277 HydrophobicContact CG-CD1 4.4Å
41A90.3Very high91.9Very high0 Ų037.8 Ų37.80%020%0.204CC..G310 helixtrans-73.2-11.3175.600000113.7G38 K39 G43 V44 K47 I71 V82G38-A41 WeakPolarHBondContact O-CB 3.46Å; G38-A41 PolarHBondContact O-N 2.72Å; K39-A41 PolarHBondContact O-N 2.94Å; K39-A41 VanDerWaalsContact O-N 3.1Å; A41-G43 VanDerWaalsContact C-N 3.31Å; A41-G43 PolarHBondContact O-N 3.09Å; A41-V44 PolarHBondContact O-N 2.94Å; A41-K47 WeakPolarHBondContact O-CE 3.33Å; A41-K47 PolarHBondContact O-NZ 3.45Å; A41-I71 HydrophobicContact CB-CD1 3.51Å; A41-V82 HydrophobicContact CB-CB 4.5Å; A41-V82 HydrophobicContact CB-CG1 4.08Å
42D91.8Very high91.8Very high90 Ų9037.8 Ų37.848%0.48120%0.204SC..G310 helixtrans-68.5-32.8-177-67.5-20.9000111.9K39 L40 V44 K47K39-D42 WeakPolarHBondContact CA-OD2 3.48Å; K39-D42 WeakPolarHBondContact CB-OD2 3.36Å; K39-D42 WeakPolarHBondContact O-CB 3.49Å; K39-D42 PolarHBondContact O-N 3.06Å; L40-D42 PolarHBondContact O-N 3.32Å; D42-V44 VanDerWaalsContact C-N 3.3Å; D42-V44 PolarHBondContact O-N 3.31Å; D42-K47 PolarHBondContact O-NZ 3.43Å
43G91.7Very high91.7Very high14 Ų1442.7 Ų42.714%0.14423%0.234CC..G310 helixtrans-73.1-14177.900000116.1A41 K45 L75 E278A41-G43 VanDerWaalsContact C-N 3.31Å; A41-G43 PolarHBondContact O-N 3.09Å; G43-K45 PolarHBondContact O-N 3.5Å; G43-L75 VanDerWaalsContact C-CD1 3.45Å; G43-L75 VanDerWaalsContact O-CD1 3.29Å; G43-L75 WeakPolarHBondContact O-CD1 3.19Å; G43-E278 WeakPolarHBondContact CA-OE1 3.46Å
44V96.5Very high91.7Very high5 Ų549.5 Ų49.53%0.0326%0.263CS..  trans-66.1130.6179.3-177.60000109.5A41 D42 K47 I71 T74 V80 V82A41-V44 PolarHBondContact O-N 2.94Å; D42-V44 VanDerWaalsContact C-N 3.3Å; D42-V44 PolarHBondContact O-N 3.31Å; V44-K47 HydrophobicContact CB-CD 4.37Å; V44-K47 HydrophobicContact CB-CG 4.04Å; V44-K47 HydrophobicContact CG1-CG 3.97Å; V44-K47 WeakPolarHBondContact O-CE 3.48Å; V44-K47 VanDerWaalsContact O-CG 3.3Å; V44-K47 WeakPolarHBondContact O-CG 3.29Å; V44-I71 HydrophobicContact CB-CG2 4.47Å; V44-I71 HydrophobicContact CG1-CG2 4.32Å; V44-T74 CarbonylContact C-O 3.57Å; V44-T74 WeakPolarHBondContact CA-O 3.44Å; V44-V80 HydrophobicContact CG1-CG2 4.04Å; V44-V80 HydrophobicContact CG2-CG2 3.99Å; V44-V82 HydrophobicContact CG2-CG2 3.76Å
45K96.5Very high92Very high146 Ų14649.6 Ų49.664%0.63526%0.263SS*.EExtended strand (participates in β ladder)trans-96.8156.8175.5-61.4-178.3-178.2178.10110.5G43 K47 G73 T74G43-K45 PolarHBondContact O-N 3.5Å; K45-K47 VanDerWaalsContact C-N 3.31Å; K45-K47 PolarHBondContact O-N 3.24Å; K45-G73 CarbonylContact O-C 3.58Å; K45-G73 VanDerWaalsContact O-CA 3.27Å; K45-G73 WeakPolarHBondContact O-CA 3.24Å; K45-T74 PolarHBondContact N-O 3.19Å; K45-T74 PolarHBondContact O-N 2.82Å
46D95.8Very high92.4Very high132 Ų13252.3 Ų52.371%0.70628%0.28SS*.EExtended strand (participates in β ladder)trans53.346.2178.6-49.3-49.4000113I48D46-I48 PolarHBondContact O-N 3.2Å
47K95.8Very high92.8Very high84 Ų8454.9 Ų54.937%0.36529%0.29SS..EExtended strand (participates in β ladder)trans-65.3131.9-169.4-61.2-176.9-164.6-1800112.4A41 D42 V44 K45 I71 F72A41-K47 WeakPolarHBondContact O-CE 3.33Å; A41-K47 PolarHBondContact O-NZ 3.45Å; D42-K47 PolarHBondContact O-NZ 3.43Å; V44-K47 HydrophobicContact CB-CD 4.37Å; V44-K47 HydrophobicContact CB-CG 4.04Å; V44-K47 HydrophobicContact CG1-CG 3.97Å; V44-K47 WeakPolarHBondContact O-CE 3.48Å; V44-K47 VanDerWaalsContact O-CG 3.3Å; V44-K47 WeakPolarHBondContact O-CG 3.29Å; K45-K47 VanDerWaalsContact C-N 3.31Å; K45-K47 PolarHBondContact O-N 3.24Å; K47-I71 HydrophobicContact CB-CG2 4.17Å; K47-I71 HydrophobicContact CD-CG2 4.04Å; K47-I71 HydrophobicContact CG-CG2 4.03Å; K47-F72 CarbonylContact C-O 3.08Å; K47-F72 VanDerWaalsContact CA-O 3.27Å; K47-F72 WeakPolarHBondContact CA-O 3.44Å
48I97.5Very high93.2Very high59 Ų5955.3 Ų55.330%0.30329%0.292SS..EExtended strand (participates in β ladder)trans-112.2107.9159.3-60.7169.9000107.3T23 I25 D46 I50 F72T23-I48 WeakPolarHBondContact OG1-CD1 3.4Å; I25-I48 HydrophobicContact CD1-CD1 4.11Å; I25-I48 HydrophobicContact CG1-CD1 4.48Å; D46-I48 PolarHBondContact O-N 3.2Å; I48-I50 HydrophobicContact CG2-CG1 4.18Å; I48-F72 HydrophobicContact CB-CB 4.38Å; I48-F72 PolarHBondContact N-O 3.18Å; I48-F72 PolarHBondContact O-N 3.09Å
49T97.6Very high93.6Very high72 Ų7255 Ų5544%0.44229%0.287SS..EExtended strand (participates in β ladder)trans-94.4119.5179.8-58.50000110.1N69 I71T49-N69 HydrophobicContact CG2-CB 3.93Å; T49-I71 HydrophobicContact CG2-CG1 4.14Å
50I97.6Very high93.9Very high7 Ų753.4 Ų53.44%0.03628%0.281CS..EExtended strand (participates in β ladder)trans-115.1105.4177.5-53.9173.8000108I19 L22 T23 I48 I55 L70 F72I19-I50 HydrophobicContact CG2-CD1 4.29Å; L22-I50 HydrophobicContact CB-CD1 3.64Å; L22-I50 HydrophobicContact CB-CG1 4.35Å; L22-I50 HydrophobicContact CD1-CD1 4.09Å; L22-I50 HydrophobicContact CD1-CG1 4.46Å; L22-I50 HydrophobicContact CD1-CG2 3.75Å; T23-I50 HydrophobicContact CG2-CD1 4.29Å; I48-I50 HydrophobicContact CG2-CG1 4.18Å; I50-I55 HydrophobicContact CG2-CD1 3.83Å; I50-I55 HydrophobicContact CG2-CG1 3.63Å; I50-L70 HydrophobicContact CB-CB 4.46Å; I50-L70 PolarHBondContact N-O 2.89Å; I50-L70 PolarHBondContact O-N 3.02Å; I50-F72 HydrophobicContact CD1-CD2 4.01Å; I50-F72 HydrophobicContact CD1-CE2 3.85Å
51P96.9Very high94.1Very high44 Ų4454.8 Ų54.829%0.28629%0.29SS..EExtended strand (participates in β ladder)trans-59.9142.8174.8-22.933.4000111.3T53 K54 N69P51-T53 PolarHBondContact O-N 3.31Å; P51-T53 VanDerWaalsContact O-N 3.14Å; P51-K54 HydrophobicContact CB-CG 4.16Å; P51-K54 HydrophobicContact CG-CG 4.2Å; P51-K54 WeakPolarHBondContact O-CB 3.46Å; P51-K54 PolarHBondContact O-N 3.4Å; P51-N69 WeakPolarHBondContact CA-OD1 3.31Å
52Y95.9Very high93.9Very high1 Ų159 Ų590%0.00432%0.319CS..G310 helixtrans-55.7-33.3177.1-66.1-9.2000111.7K54 I55 F58 Q60 T61 G68 N69 L70 M83 G85 F87Y52-K54 PolarHBondContact O-N 3.17Å; Y52-I55 PolarHBondContact O-N 3.17Å; Y52-F58 AromaticContact CD1-CD1 3.84Å; Y52-F58 HydrophobicContact CD1-CD1 3.84Å; Y52-F58 AromaticContact CD1-CE1 3.53Å; Y52-F58 HydrophobicContact CD1-CE1 3.53Å; Y52-F58 HydrophobicContact CD2-CD1 4.39Å; Y52-F58 HydrophobicContact CD2-CE1 4.24Å; Y52-F58 HydrophobicContact CE1-CD1 4.5Å; Y52-F58 AromaticContact CE1-CE1 3.74Å; Y52-F58 HydrophobicContact CE1-CE1 3.74Å; Y52-F58 HydrophobicContact CE2-CE1 4.42Å; Y52-F58 AromaticContact CG-CD1 3.79Å; Y52-F58 HydrophobicContact CG-CD1 3.79Å; Y52-F58 AromaticContact CG-CE1 3.81Å; Y52-F58 HydrophobicContact CG-CE1 3.81Å; Y52-Q60 VanDerWaalsContact C-NE2 3.32Å; Y52-Q60 PolarHBondContact O-NE2 3.33Å; Y52-T61 HydrophobicContact CD2-CG2 4.49Å; Y52-G68 WeakPolarHBondContact CB-O 3.27Å; Y52-G68 WeakPolarHBondContact CD1-O 3.39Å; Y52-G68 VanDerWaalsContact CD2-CA 3.43Å; Y52-G68 VanDerWaalsContact CG-C 3.49Å; Y52-G68 VanDerWaalsContact CG-O 3.24Å; Y52-G68 PolarHBondContact N-O 3.37Å; Y52-N69 WeakPolarHBondContact CE1-O 3.33Å; Y52-N69 PolarHBondContact OH-O 2.98Å; Y52-L70 HydrophobicContact CD1-CG 4.12Å; Y52-L70 HydrophobicContact CE1-CB 4.48Å; Y52-L70 HydrophobicContact CE1-CD2 3.8Å; Y52-L70 HydrophobicContact CE1-CG 3.73Å; Y52-M83 WeakPolarHBondContact OH-CB 3.31Å; Y52-G85 PolarHBondContact OH-O 3.18Å; Y52-F87 AromaticContact CD2-CE1 3.93Å; Y52-F87 HydrophobicContact CD2-CE1 3.93Å; Y52-F87 AromaticContact CD2-CZ 3.6Å; Y52-F87 HydrophobicContact CD2-CZ 3.6Å; Y52-F87 AromaticContact CE2-CE1 3.93Å; Y52-F87 HydrophobicContact CE2-CE1 3.93Å; Y52-F87 HydrophobicContact CE2-CE2 4.34Å; Y52-F87 AromaticContact CE2-CZ 3.43Å; Y52-F87 HydrophobicContact CE2-CZ 3.43Å; Y52-F87 VanDerWaalsContact CE2-CZ 3.43Å; Y52-F87 HydrophobicContact CG-CZ 4.47Å
53T94.8Very high93.7Very high102 Ų10255.6 Ų55.663%0.62630%0.302SS*.G310 helixtrans-65.1-15.3176.6560000114.2P51P51-T53 PolarHBondContact O-N 3.31Å; P51-T53 VanDerWaalsContact O-N 3.14Å
54K94.9Very high93.3Very high144 Ų14459.9 Ų59.963%0.62633%0.325SS*.G310 helixtrans-97.81.7178.6-60.9-60.7-175.5-177.50113.3H18 P51 Y52H18-K54 PolarHBondContact NE2-O 3.16Å; H18-K54 VanDerWaalsContact NE2-O 3.1Å; P51-K54 HydrophobicContact CB-CG 4.16Å; P51-K54 HydrophobicContact CG-CG 4.2Å; P51-K54 WeakPolarHBondContact O-CB 3.46Å; P51-K54 PolarHBondContact O-N 3.4Å; Y52-K54 PolarHBondContact O-N 3.17Å
55I95.4Very high92.6Very high5 Ų561.3 Ų61.33%0.02634%0.34CS..SBendtrans-110.5110.3179.9-51.3170.8000107.9V15 I19 I50 Y52 N57 F58 L70V15-I55 HydrophobicContact CG1-CG2 3.81Å; I19-I55 HydrophobicContact CD1-CD1 4.2Å; I19-I55 HydrophobicContact CD1-CG2 4.28Å; I19-I55 HydrophobicContact CG1-CD1 4.17Å; I19-I55 HydrophobicContact CG1-CG1 4.44Å; I19-I55 HydrophobicContact CG1-CG2 4.12Å; I50-I55 HydrophobicContact CG2-CD1 3.83Å; I50-I55 HydrophobicContact CG2-CG1 3.63Å; Y52-I55 PolarHBondContact O-N 3.17Å; I55-N57 PolarHBondContact O-N 3.34Å; I55-F58 HydrophobicContact CB-CB 3.61Å; I55-F58 HydrophobicContact CB-CD2 4.46Å; I55-F58 HydrophobicContact CB-CG 4.1Å; I55-F58 HydrophobicContact CD1-CD1 4.43Å; I55-F58 HydrophobicContact CD1-CD2 4.4Å; I55-F58 HydrophobicContact CD1-CG 4.25Å; I55-F58 HydrophobicContact CG2-CB 3.7Å; I55-F58 HydrophobicContact CG2-CD2 3.94Å; I55-F58 HydrophobicContact CG2-CG 4.05Å; I55-F58 VanDerWaalsContact O-CB 3.29Å; I55-F58 WeakPolarHBondContact O-CB 3.49Å; I55-F58 PolarHBondContact O-N 2.84Å; I55-L70 HydrophobicContact CD1-CD1 3.53Å; I55-L70 HydrophobicContact CD1-CG 4.11Å
56P92.9Very high92.1Very high71 Ų7155 Ų5546%0.46131%0.313SS..THydrogen-bonded Turntrans-54.5140176.3-25.534.6000111.5H18 F58H18-P56 WeakPolarHBondContact CD2-CD 3.27Å; H18-P56 VanDerWaalsContact NE2-CD 3.27Å; H18-P56 WeakPolarHBondContact NE2-CD 3.44Å; P56-F58 PolarHBondContact O-N 3.47Å; P56-F58 VanDerWaalsContact O-N 3.09Å
57N89.7Confident91.8Very high71 Ų7152.1 Ų52.138%0.3830%0.303SS..THydrogen-bonded Turntrans58.914.1-178.9-55.1-16.6000115.4N11 V15 I55 L100N11-N57 PolarHBondContact OD1-ND2 3.42Å; V15-N57 HydrophobicContact CG2-CB 4.32Å; I55-N57 PolarHBondContact O-N 3.34Å; N57-L100 VanDerWaalsContact O-CD2 3.31Å; N57-L100 WeakPolarHBondContact O-CD2 3.27Å
58F93.7Very high91.7Very high10 Ų1048.5 Ų48.54%0.04429%0.29CS..PPolyproline II helixtrans-89137174.3-150.7-97.7000110.5V15 Y52 I55 P56 Q60 L70 F87 L100 P101V15-F58 HydrophobicContact CG1-CD2 3.81Å; V15-F58 HydrophobicContact CG1-CE2 4.32Å; Y52-F58 AromaticContact CD1-CD1 3.84Å; Y52-F58 HydrophobicContact CD1-CD1 3.84Å; Y52-F58 AromaticContact CD1-CE1 3.53Å; Y52-F58 HydrophobicContact CD1-CE1 3.53Å; Y52-F58 HydrophobicContact CD2-CD1 4.39Å; Y52-F58 HydrophobicContact CD2-CE1 4.24Å; Y52-F58 HydrophobicContact CE1-CD1 4.5Å; Y52-F58 AromaticContact CE1-CE1 3.74Å; Y52-F58 HydrophobicContact CE1-CE1 3.74Å; Y52-F58 HydrophobicContact CE2-CE1 4.42Å; Y52-F58 AromaticContact CG-CD1 3.79Å; Y52-F58 HydrophobicContact CG-CD1 3.79Å; Y52-F58 AromaticContact CG-CE1 3.81Å; Y52-F58 HydrophobicContact CG-CE1 3.81Å; I55-F58 HydrophobicContact CB-CB 3.61Å; I55-F58 HydrophobicContact CB-CD2 4.46Å; I55-F58 HydrophobicContact CB-CG 4.1Å; I55-F58 HydrophobicContact CD1-CD1 4.43Å; I55-F58 HydrophobicContact CD1-CD2 4.4Å; I55-F58 HydrophobicContact CD1-CG 4.25Å; I55-F58 HydrophobicContact CG2-CB 3.7Å; I55-F58 HydrophobicContact CG2-CD2 3.94Å; I55-F58 HydrophobicContact CG2-CG 4.05Å; I55-F58 VanDerWaalsContact O-CB 3.29Å; I55-F58 WeakPolarHBondContact O-CB 3.49Å; I55-F58 PolarHBondContact O-N 2.84Å; P56-F58 PolarHBondContact O-N 3.47Å; P56-F58 VanDerWaalsContact O-N 3.09Å; F58-Q60 PolarHBondContact O-NE2 2.84Å; F58-L70 HydrophobicContact CE2-CD1 4.41Å; F58-L70 HydrophobicContact CZ-CD1 4.15Å; F58-L70 HydrophobicContact CZ-CD2 4.36Å; F58-L70 HydrophobicContact CZ-CG 4.42Å; F58-F87 HydrophobicContact CD1-CZ 4.28Å; F58-F87 HydrophobicContact CE1-CE2 4.11Å; F58-F87 AromaticContact CE1-CZ 3.88Å; F58-F87 HydrophobicContact CE1-CZ 3.88Å; F58-L100 HydrophobicContact CD2-CD2 4.27Å; F58-P101 HydrophobicContact CE2-CB 4.31Å; F58-P101 HydrophobicContact CE2-CG 4.37Å; F58-P101 HydrophobicContact CZ-CB 3.87Å; F58-P101 HydrophobicContact CZ-CG 3.93Å
59P91.8Very high91.6Very high5 Ų547.1 Ų47.13%0.03228%0.283CS..PPolyproline II helixtrans-63.5152.4176.820.3-28.3000112.5F87 T97 P101P59-F87 HydrophobicContact CB-CD1 3.74Å; P59-F87 HydrophobicContact CB-CD2 4.29Å; P59-F87 HydrophobicContact CB-CE1 3.63Å; P59-F87 HydrophobicContact CB-CE2 4.21Å; P59-F87 HydrophobicContact CB-CG 4.07Å; P59-F87 HydrophobicContact CB-CZ 3.87Å; P59-F87 HydrophobicContact CG-CD1 4.09Å; P59-F87 HydrophobicContact CG-CD2 3.74Å; P59-F87 HydrophobicContact CG-CE1 3.84Å; P59-F87 HydrophobicContact CG-CE2 3.49Å; P59-F87 VanDerWaalsContact CG-CE2 3.49Å; P59-F87 HydrophobicContact CG-CG 4.03Å; P59-F87 HydrophobicContact CG-CZ 3.53Å; P59-F87 WeakPolarHBondContact O-CE1 3.44Å; P59-F87 WeakPolarHBondContact O-CZ 3.28Å; P59-T97 HydrophobicContact CB-CG2 3.44Å; P59-T97 VanDerWaalsContact CB-CG2 3.44Å; P59-T97 HydrophobicContact CG-CG2 3.83Å; P59-P101 HydrophobicContact CG-CG 4.42Å
60Q90.9Very high91.6Very high56 Ų5643.9 Ų43.926%0.26226%0.263SS..PPolyproline II helixtrans-102.2160.2174.9-55.1-51.8-48.800109Y52 F58 F87 Y93Y52-Q60 VanDerWaalsContact C-NE2 3.32Å; Y52-Q60 PolarHBondContact O-NE2 3.33Å; F58-Q60 PolarHBondContact O-NE2 2.84Å; Q60-F87 VanDerWaalsContact O-CD1 3.25Å; Q60-F87 WeakPolarHBondContact O-CD1 3.39Å; Q60-F87 VanDerWaalsContact O-CE1 3.26Å; Q60-F87 WeakPolarHBondContact O-CE1 3.28Å; Q60-Y93 VanDerWaalsContact O-CZ 3.26Å; Q60-Y93 PolarHBondContact O-OH 2.67Å
61T87.5Confident91.6Very high32 Ų3243.9 Ų43.920%0.19626%0.263CS..  trans-109.2140.7178.8178.80000109.4Y52 H66Y52-T61 HydrophobicContact CD2-CG2 4.49Å; T61-H66 HydrophobicContact CG2-CB 3.81Å; T61-H66 WeakPolarHBondContact CG2-O 3.15Å; T61-H66 WeakPolarHBondContact OG1-CB 3.45Å; T61-H66 PolarHBondContact OG1-ND1 2.63Å
62S87.1Confident91.7Very high88 Ų8841.8 Ų41.862%0.61525%0.25SC*.  trans-111.4-14.6175.669.80000113.3E91S62-E91 PolarHBondContact N-OE1 2.93Å; S62-E91 VanDerWaalsContact N-OE1 3.14Å; S62-E91 PolarHBondContact OG-OE1 2.95Å
63V86.5Confident91.8Very high20 Ų2041.8 Ų41.812%0.12125%0.25CC..SBendtrans-72.3129.3-176.5179.40000112G65 H66 Y90 E91V63-G65 PolarHBondContact O-N 3.33Å; V63-H66 WeakPolarHBondContact O-CB 3.33Å; V63-H66 PolarHBondContact O-N 3.01Å; V63-H66 VanDerWaalsContact O-N 3.12Å; V63-Y90 HydrophobicContact CG2-CE2 4.17Å; V63-Y90 WeakPolarHBondContact CG2-OH 3.09Å; V63-E91 HydrophobicContact CG2-CG 4.12Å
64V84Confident92Very high103 Ų10338.7 Ų38.762%0.62423%0.231SC*.THydrogen-bonded Turntrans-62.1128.4174.1179.90000110.1H259 L263V64-H259 PolarHBondContact O-NE2 2.95Å; V64-L263 HydrophobicContact CG1-CD1 4.03Å
65G81.3Confident92Very high35 Ų3532 Ų3236%0.36120%0.202SC..THydrogen-bonded Turntrans100-5.9-174.100000114V63V63-G65 PolarHBondContact O-N 3.33Å
66H86.1Confident92Very high14 Ų1434.2 Ų34.27%0.06522%0.217CC..  trans-102.5106.2171.4-70.7-171.4000110.7T61 V63 G68 G85 R86 H88T61-H66 HydrophobicContact CG2-CB 3.81Å; T61-H66 WeakPolarHBondContact CG2-O 3.15Å; T61-H66 WeakPolarHBondContact OG1-CB 3.45Å; T61-H66 PolarHBondContact OG1-ND1 2.63Å; V63-H66 WeakPolarHBondContact O-CB 3.33Å; V63-H66 PolarHBondContact O-N 3.01Å; V63-H66 VanDerWaalsContact O-N 3.12Å; H66-G68 VanDerWaalsContact C-N 3.28Å; H66-G68 PolarHBondContact O-N 3.46Å; H66-G85 VanDerWaalsContact CG-CA 3.41Å; H66-R86 PolarHBondContact CE1-N 3.41Å; H66-R86 PolarHBondContact CE1-O 3.45Å; H66-R86 VanDerWaalsContact CE1-O 3.26Å; H66-R86 PolarHBondContact ND1-N 3.04Å; H66-R86 VanDerWaalsContact ND1-N 3.16Å; H66-R86 PolarHBondContact ND1-O 3.44Å; H66-H88 AromaticContact CE1-CE1 3.27Å; H66-H88 PolarHBondContact CE1-CE1 3.07Å
67S89.1Confident92.1Very high71 Ų7134 Ų3450%0.49723%0.229SC..  trans-71.6-19.1-176.5-50.20000114.3Q84S67-Q84 VanDerWaalsContact CB-OE1 3.23Å; S67-Q84 PolarHBondContact N-O 3.15Å; S67-Q84 PolarHBondContact OG-OE1 3.3Å
68G94.1Very high92.5Very high8 Ų831.5 Ų31.58%0.08221%0.214CC..  trans76.944.317400000114.4Y52 H66 Q84Y52-G68 WeakPolarHBondContact CB-O 3.27Å; Y52-G68 WeakPolarHBondContact CD1-O 3.39Å; Y52-G68 VanDerWaalsContact CD2-CA 3.43Å; Y52-G68 VanDerWaalsContact CG-C 3.49Å; Y52-G68 VanDerWaalsContact CG-O 3.24Å; Y52-G68 PolarHBondContact N-O 3.37Å; H66-G68 VanDerWaalsContact C-N 3.28Å; H66-G68 PolarHBondContact O-N 3.46Å; G68-Q84 PolarHBondContact N-O 3.16Å
69N96.3Very high92.7Very high30 Ų3035.9 Ų35.916%0.1623%0.233CC..EExtended strand (participates in β ladder)trans-127.3141.8-178.2-59.8-54000112.5T49 P51 Y52 I71 Q84T49-N69 HydrophobicContact CG2-CB 3.93Å; P51-N69 WeakPolarHBondContact CA-OD1 3.31Å; Y52-N69 WeakPolarHBondContact CE1-O 3.33Å; Y52-N69 PolarHBondContact OH-O 2.98Å; N69-I71 HydrophobicContact CB-CD1 4.37Å; N69-I71 HydrophobicContact CB-CG1 4.11Å; N69-Q84 HydrophobicContact CB-CB 4.24Å; N69-Q84 PolarHBondContact ND2-OE1 2.91Å; N69-Q84 VanDerWaalsContact ND2-OE1 3.08Å; N69-Q84 PolarHBondContact O-N 2.92Å
70L97.4Very high93Very high5 Ų535.7 Ų35.73%0.02623%0.232CC..EExtended strand (participates in β ladder)trans-93.2122.1157.4-68.7-176.3000108.8I19 I50 Y52 I55 F58 F72 V81 V82 M83I19-L70 HydrophobicContact CD1-CD1 3.75Å; I50-L70 HydrophobicContact CB-CB 4.46Å; I50-L70 PolarHBondContact N-O 2.89Å; I50-L70 PolarHBondContact O-N 3.02Å; Y52-L70 HydrophobicContact CD1-CG 4.12Å; Y52-L70 HydrophobicContact CE1-CB 4.48Å; Y52-L70 HydrophobicContact CE1-CD2 3.8Å; Y52-L70 HydrophobicContact CE1-CG 3.73Å; I55-L70 HydrophobicContact CD1-CD1 3.53Å; I55-L70 HydrophobicContact CD1-CG 4.11Å; F58-L70 HydrophobicContact CE2-CD1 4.41Å; F58-L70 HydrophobicContact CZ-CD1 4.15Å; F58-L70 HydrophobicContact CZ-CD2 4.36Å; F58-L70 HydrophobicContact CZ-CG 4.42Å; L70-F72 HydrophobicContact CB-CE2 3.89Å; L70-F72 HydrophobicContact CD1-CE2 4.37Å; L70-V81 HydrophobicContact CD2-CG2 4.28Å; L70-V82 CarbonylContact C-O 3.5Å; L70-V82 WeakPolarHBondContact CA-O 3.37Å; L70-M83 HydrophobicContact CD2-CB 4.46Å; L70-M83 HydrophobicContact CD2-CG 3.42Å; L70-M83 VanDerWaalsContact CD2-CG 3.42Å
71I98Very high93.4Very high7 Ų733 Ų334%0.03622%0.219CC..EExtended strand (participates in β ladder)trans-115.2112.5-178.3-60.5167.5000108.6A41 V44 K47 T49 N69 V81 V82 Q84A41-I71 HydrophobicContact CB-CD1 3.51Å; V44-I71 HydrophobicContact CB-CG2 4.47Å; V44-I71 HydrophobicContact CG1-CG2 4.32Å; K47-I71 HydrophobicContact CB-CG2 4.17Å; K47-I71 HydrophobicContact CD-CG2 4.04Å; K47-I71 HydrophobicContact CG-CG2 4.03Å; T49-I71 HydrophobicContact CG2-CG1 4.14Å; N69-I71 HydrophobicContact CB-CD1 4.37Å; N69-I71 HydrophobicContact CB-CG1 4.11Å; I71-V81 CarbonylContact O-C 3.51Å; I71-V81 WeakPolarHBondContact O-CA 3.14Å; I71-V82 HydrophobicContact CB-CB 4.3Å; I71-V82 PolarHBondContact N-O 3.48Å; I71-V82 PolarHBondContact O-N 3.02Å; I71-Q84 HydrophobicContact CD1-CB 4.3Å
72F98.6Very high93.9Very high0 Ų031.5 Ų31.50%021%0.21CC..EExtended strand (participates in β ladder)trans-95.4147.4174.2-66.2-100000109.8I19 T23 I25 P27 K47 I48 I50 L70 V80 V81 L108I19-F72 HydrophobicContact CG2-CE1 4.27Å; I19-F72 HydrophobicContact CG2-CE2 3.82Å; I19-F72 HydrophobicContact CG2-CZ 3.43Å; I19-F72 VanDerWaalsContact CG2-CZ 3.43Å; T23-F72 HydrophobicContact CG2-CD1 3.92Å; T23-F72 HydrophobicContact CG2-CD2 4.02Å; T23-F72 HydrophobicContact CG2-CE1 4.09Å; T23-F72 HydrophobicContact CG2-CE2 4.2Å; T23-F72 HydrophobicContact CG2-CG 3.9Å; T23-F72 HydrophobicContact CG2-CZ 4.25Å; I25-F72 HydrophobicContact CB-CB 4.26Å; I25-F72 HydrophobicContact CB-CD1 4.44Å; I25-F72 HydrophobicContact CD1-CB 4.01Å; I25-F72 HydrophobicContact CG2-CB 4.45Å; I25-F72 HydrophobicContact CG2-CD1 4.49Å; P27-F72 HydrophobicContact CG-CD1 4.41Å; P27-F72 HydrophobicContact CG-CE1 4.04Å; K47-F72 CarbonylContact C-O 3.08Å; K47-F72 VanDerWaalsContact CA-O 3.27Å; K47-F72 WeakPolarHBondContact CA-O 3.44Å; I48-F72 HydrophobicContact CB-CB 4.38Å; I48-F72 PolarHBondContact N-O 3.18Å; I48-F72 PolarHBondContact O-N 3.09Å; I50-F72 HydrophobicContact CD1-CD2 4.01Å; I50-F72 HydrophobicContact CD1-CE2 3.85Å; L70-F72 HydrophobicContact CB-CE2 3.89Å; L70-F72 HydrophobicContact CD1-CE2 4.37Å; F72-V80 WeakPolarHBondContact CA-O 3.39Å; F72-V81 HydrophobicContact CD1-CB 3.94Å; F72-V81 HydrophobicContact CD1-CG2 4.07Å; F72-V81 HydrophobicContact CD2-CG2 4.25Å; F72-V81 HydrophobicContact CE1-CB 3.73Å; F72-V81 HydrophobicContact CE1-CG2 3.63Å; F72-V81 HydrophobicContact CE2-CG2 3.81Å; F72-V81 HydrophobicContact CG-CG2 4.35Å; F72-V81 HydrophobicContact CZ-CB 4.11Å; F72-V81 HydrophobicContact CZ-CG2 3.46Å; F72-V81 VanDerWaalsContact CZ-CG2 3.46Å; F72-L108 HydrophobicContact CE1-CD1 4.12Å; F72-L108 HydrophobicContact CZ-CD1 3.93Å
73G98.1Very high94.4Very high0 Ų027.5 Ų27.50%018%0.182CC..EExtended strand (participates in β ladder)trans169.5-153.4176.800000111.6K45 V80K45-G73 CarbonylContact O-C 3.58Å; K45-G73 VanDerWaalsContact O-CA 3.27Å; K45-G73 WeakPolarHBondContact O-CA 3.24Å; G73-V80 PolarHBondContact N-O 3.11Å; G73-V80 PolarHBondContact O-N 3.1Å
74T97.6Very high94.7Very high38 Ų3827.8 Ų27.823%0.23318%0.181CC..EExtended strand (participates in β ladder)trans-119.6141173.364.50000112.2V44 K45 R78V44-T74 CarbonylContact C-O 3.57Å; V44-T74 WeakPolarHBondContact CA-O 3.44Å; K45-T74 PolarHBondContact N-O 3.19Å; K45-T74 PolarHBondContact O-N 2.82Å; T74-R78 CarbonylContact C-O 3.5Å; T74-R78 WeakPolarHBondContact CA-O 3.28Å
75L96.1Very high95.1Very high4 Ų423 Ų232%0.02115%0.153CC..EExtended strand (participates in β ladder)trans-131.8121.8173.5-165.762.7000107.6I31 G43 G77 R78 V80 E278 I281I31-L75 HydrophobicContact CD1-CD2 3.87Å; G43-L75 VanDerWaalsContact C-CD1 3.45Å; G43-L75 VanDerWaalsContact O-CD1 3.29Å; G43-L75 WeakPolarHBondContact O-CD1 3.19Å; L75-G77 PolarHBondContact O-N 3.22Å; L75-G77 VanDerWaalsContact O-N 3.14Å; L75-R78 PolarHBondContact N-O 3.24Å; L75-R78 WeakPolarHBondContact O-CB 3.33Å; L75-R78 PolarHBondContact O-N 2.9Å; L75-V80 HydrophobicContact CB-CG1 3.76Å; L75-V80 HydrophobicContact CB-CG2 4Å; L75-E278 HydrophobicContact CD1-CG 3.47Å; L75-E278 VanDerWaalsContact CD1-CG 3.47Å; L75-E278 HydrophobicContact CD2-CG 4.23Å; L75-E278 HydrophobicContact CG-CG 3.82Å; L75-I281 HydrophobicContact CD2-CD1 3.64Å; L75-I281 HydrophobicContact CG-CD1 4.25Å; L75-I281 WeakPolarHBondContact O-CG2 3.28Å
76S95.4Very high95.7Very high50 Ų5021.3 Ų21.335%0.3514%0.136SC..THydrogen-bonded Turntrans49.338.4-171.5-55.10000113.7R78 E278S76-R78 PolarHBondContact O-N 3.18Å; S76-E278 WeakPolarHBondContact CB-O 3.37Å; S76-E278 PolarHBondContact OG-O 2.85Å
77G95.1Very high96.1Very high68 Ų6820.9 Ų20.970%0.70113%0.134SC*.THydrogen-bonded Turntrans75.42.5-179.200000115.4L75L75-G77 PolarHBondContact O-N 3.22Å; L75-G77 VanDerWaalsContact O-N 3.14Å
78R97.2Very high96.3Very high17 Ų1718 Ų186%0.06411%0.112CC..EExtended strand (participates in β ladder)trans-99.4143178.1-58.3-58.5-67.5-93.93.1110.5E28 I29 T74 L75 S76 V80 I281 L284 P285E28-R78 WeakPolarHBondContact OE1-CA 3.41Å; E28-R78 WeakPolarHBondContact OE1-CB 3.38Å; E28-R78 WeakPolarHBondContact OE1-CD 3.48Å; E28-R78 IonicContact OE1-CZ 3.78Å; E28-R78 IonicContact OE1-NE 3.29Å; E28-R78 PolarHBondContact OE1-NE 2.9Å; E28-R78 IonicContact OE1-NH2 2.67Å; E28-R78 IonicContact OE2-CZ 2.69Å; E28-R78 VanDerWaalsContact OE2-CZ 3.29Å; E28-R78 IonicContact OE2-NE 2.88Å; E28-R78 PolarHBondContact OE2-NE 2.93Å; E28-R78 VanDerWaalsContact OE2-NE 3.1Å; E28-R78 IonicContact OE2-NH2 2.63Å; E28-R78 PolarHBondContact OE2-NH2 3.43Å; I29-R78 HydrophobicContact CD1-CB 3.9Å; I29-R78 HydrophobicContact CD1-CG 4.34Å; T74-R78 CarbonylContact C-O 3.5Å; T74-R78 WeakPolarHBondContact CA-O 3.28Å; L75-R78 PolarHBondContact N-O 3.24Å; L75-R78 WeakPolarHBondContact O-CB 3.33Å; L75-R78 PolarHBondContact O-N 2.9Å; S76-R78 PolarHBondContact O-N 3.18Å; R78-V80 PolarHBondContact O-N 3.23Å; R78-I281 HydrophobicContact CB-CG2 3.6Å; R78-I281 HydrophobicContact CG-CG2 3.46Å; R78-I281 VanDerWaalsContact CG-CG2 3.46Å; R78-L284 PolarHBondContact NH1-O 3.44Å; R78-P285 PolarHBondContact NH1-O 3Å; R78-P285 PolarHBondContact NH2-O 2.94Å
79K98.1Very high96.2Very high103 Ų10319 Ų1945%0.44812%0.115SC..EExtended strand (participates in β ladder)trans-79.1121.9-179.1-68.2178.7-176.2173.80110I25 V26 E28 I29I25-K79 HydrophobicContact CG2-CB 4.1Å; I25-K79 HydrophobicContact CG2-CD 4.28Å; I25-K79 HydrophobicContact CG2-CG 4.25Å; V26-K79 WeakPolarHBondContact O-CB 3.34Å; V26-K79 WeakPolarHBondContact O-CD 3.3Å; E28-K79 HydrophobicContact CG-CB 4.36Å; E28-K79 WeakPolarHBondContact CG-O 3.21Å; E28-K79 PolarHBondContact N-O 3.34Å; E28-K79 PolarHBondContact OE1-N 3.29Å; I29-K79 PolarHBondContact N-O 3.22Å
80V98.4Very high96Very high0 Ų020.8 Ų20.80%012%0.12CC..EExtended strand (participates in β ladder)trans-122.9155-174.9-54.10000112.4I29 I31 V44 F72 G73 L75 R78 V82I29-V80 HydrophobicContact CB-CG1 4.16Å; I29-V80 CarbonylContact O-C 3.57Å; I29-V80 VanDerWaalsContact O-CA 3.27Å; I29-V80 WeakPolarHBondContact O-CA 3.31Å; I31-V80 HydrophobicContact CD1-CB 4.42Å; I31-V80 HydrophobicContact CD1-CG1 4.37Å; V44-V80 HydrophobicContact CG1-CG2 4.04Å; V44-V80 HydrophobicContact CG2-CG2 3.99Å; F72-V80 WeakPolarHBondContact CA-O 3.39Å; G73-V80 PolarHBondContact N-O 3.11Å; G73-V80 PolarHBondContact O-N 3.1Å; L75-V80 HydrophobicContact CB-CG1 3.76Å; L75-V80 HydrophobicContact CB-CG2 4Å; R78-V80 PolarHBondContact O-N 3.23Å; V80-V82 HydrophobicContact CG2-CG2 4.2Å
81V98.5Very high95.8Very high1 Ų122.4 Ų22.41%0.00613%0.128CC..EExtended strand (participates in β ladder)trans-123.3126.7160.357.70000108.9P27 I29 G30 I31 L70 I71 F72 M105 V110P27-V81 HydrophobicContact CB-CB 3.94Å; P27-V81 HydrophobicContact CB-CG1 3.75Å; P27-V81 HydrophobicContact CG-CB 4.05Å; P27-V81 HydrophobicContact CG-CG1 3.74Å; I29-V81 PolarHBondContact O-N 2.91Å; G30-V81 CarbonylContact C-O 3.31Å; G30-V81 WeakPolarHBondContact CA-O 3.29Å; I31-V81 PolarHBondContact N-O 3.26Å; L70-V81 HydrophobicContact CD2-CG2 4.28Å; I71-V81 CarbonylContact O-C 3.51Å; I71-V81 WeakPolarHBondContact O-CA 3.14Å; F72-V81 HydrophobicContact CD1-CB 3.94Å; F72-V81 HydrophobicContact CD1-CG2 4.07Å; F72-V81 HydrophobicContact CD2-CG2 4.25Å; F72-V81 HydrophobicContact CE1-CB 3.73Å; F72-V81 HydrophobicContact CE1-CG2 3.63Å; F72-V81 HydrophobicContact CE2-CG2 3.81Å; F72-V81 HydrophobicContact CG-CG2 4.35Å; F72-V81 HydrophobicContact CZ-CB 4.11Å; F72-V81 HydrophobicContact CZ-CG2 3.46Å; F72-V81 VanDerWaalsContact CZ-CG2 3.46Å; V81-M105 HydrophobicContact CG1-CE 4.09Å; V81-M105 HydrophobicContact CG1-CG 4.1Å; V81-M105 HydrophobicContact CG1-SD 4.4Å; V81-V110 HydrophobicContact CG1-CG2 3.75Å
82V98.1Very high95.4Very high0 Ų025.4 Ų25.40%016%0.16CC..EExtended strand (participates in β ladder)trans-111.1124.2-179.9-170.40000109.9I31 C33 A41 V44 L70 I71 V80I31-V82 HydrophobicContact CB-CB 4.44Å; I31-V82 HydrophobicContact CB-CG1 4.22Å; I31-V82 HydrophobicContact CB-CG2 4.12Å; I31-V82 HydrophobicContact CD1-CG2 4.25Å; I31-V82 HydrophobicContact CG2-CG1 4.32Å; I31-V82 CarbonylContact O-C 3.38Å; I31-V82 WeakPolarHBondContact O-CA 3.36Å; C33-V82 VanDerWaalsContact SG-CG1 3.51Å; A41-V82 HydrophobicContact CB-CB 4.5Å; A41-V82 HydrophobicContact CB-CG1 4.08Å; V44-V82 HydrophobicContact CG2-CG2 3.76Å; L70-V82 CarbonylContact C-O 3.5Å; L70-V82 WeakPolarHBondContact CA-O 3.37Å; I71-V82 HydrophobicContact CB-CB 4.3Å; I71-V82 PolarHBondContact N-O 3.48Å; I71-V82 PolarHBondContact O-N 3.02Å; V80-V82 HydrophobicContact CG2-CG2 4.2Å
83M97.7Very high95.1Very high4 Ų427.8 Ų27.82%0.0217%0.17CC..EExtended strand (participates in β ladder)trans-84.3105.9165.1-82.2176.873.100109.2I31 I32 C33 Y52 L70 G85 F87 P101 M105I31-M83 PolarHBondContact O-N 2.97Å; I32-M83 HydrophobicContact CB-CB 4.46Å; I32-M83 HydrophobicContact CD1-SD 4.42Å; I32-M83 HydrophobicContact CG1-CB 4.42Å; I32-M83 HydrophobicContact CG1-SD 4.23Å; I32-M83 HydrophobicContact CG2-CB 4.11Å; C33-M83 PolarHBondContact N-O 3.26Å; Y52-M83 WeakPolarHBondContact OH-CB 3.31Å; L70-M83 HydrophobicContact CD2-CB 4.46Å; L70-M83 HydrophobicContact CD2-CG 3.42Å; L70-M83 VanDerWaalsContact CD2-CG 3.42Å; M83-G85 PolarHBondContact O-N 2.88Å; M83-F87 HydrophobicContact CE-CD2 4.31Å; M83-F87 HydrophobicContact CE-CE2 3.74Å; M83-P101 HydrophobicContact CE-CB 3.58Å; M83-P101 HydrophobicContact CE-CG 3.92Å; M83-P101 HydrophobicContact SD-CB 3.61Å; M83-M105 HydrophobicContact CB-CE 4.28Å; M83-M105 HydrophobicContact CG-CE 3.41Å; M83-M105 VanDerWaalsContact CG-CE 3.41Å; M83-M105 HydrophobicContact SD-CE 3.42Å; M83-M105 WeakPolarHBondContact SD-CE 3.27Å; M83-M105 HydrophobicContact SD-SD 4.49Å
84Q94.1Very high94.9Very high25 Ų2530.4 Ų30.412%0.11719%0.188CC..EExtended strand (participates in β ladder)trans-83.774.5175.3-158.5179.731.900109.8G38 S67 G68 N69 I71G38-Q84 PolarHBondContact O-NE2 3.2Å; G38-Q84 VanDerWaalsContact O-NE2 3.08Å; S67-Q84 VanDerWaalsContact CB-OE1 3.23Å; S67-Q84 PolarHBondContact N-O 3.15Å; S67-Q84 PolarHBondContact OG-OE1 3.3Å; G68-Q84 PolarHBondContact N-O 3.16Å; N69-Q84 HydrophobicContact CB-CB 4.24Å; N69-Q84 PolarHBondContact ND2-OE1 2.91Å; N69-Q84 VanDerWaalsContact ND2-OE1 3.08Å; N69-Q84 PolarHBondContact O-N 2.92Å; I71-Q84 HydrophobicContact CD1-CB 4.3Å
85G91.7Very high94.7Very high2 Ų230 Ų302%0.02118%0.184CC..SBendtrans112.2156.3-172.200000112.5Y52 H66 M83Y52-G85 PolarHBondContact OH-O 3.18Å; H66-G85 VanDerWaalsContact CG-CA 3.41Å; M83-G85 PolarHBondContact O-N 2.88Å
86R94.1Very high94.7Very high1 Ų132.7 Ų32.70%0.00420%0.199CC..  trans-135.4179.4-178.267.9-177.464179.5-4.8111.4I32 H66 V115 S116 S222 T223 E226I32-R86 HydrophobicContact CG2-CB 3.93Å; I32-R86 PolarHBondContact O-NH2 2.86Å; I32-R86 VanDerWaalsContact O-NH2 3.12Å; H66-R86 PolarHBondContact CE1-N 3.41Å; H66-R86 PolarHBondContact CE1-O 3.45Å; H66-R86 VanDerWaalsContact CE1-O 3.26Å; H66-R86 PolarHBondContact ND1-N 3.04Å; H66-R86 VanDerWaalsContact ND1-N 3.16Å; H66-R86 PolarHBondContact ND1-O 3.44Å; R86-V115 VanDerWaalsContact NH2-CG1 3.32Å; R86-S116 PolarHBondContact NH2-O 3.36Å; R86-S222 PolarHBondContact NH1-OG 3.49Å; R86-T223 PolarHBondContact NH1-OG1 3.4Å; R86-E226 WeakPolarHBondContact CD-OE1 3.32Å; R86-E226 IonicContact NE-OE1 2.62Å
87F94.3Very high94.6Very high5 Ų530.7 Ų30.72%0.02218%0.184CC..  trans-114.9139.3-176.4-45.3-72000109.7Y52 F58 P59 Q60 M83 Y93 P101Y52-F87 AromaticContact CD2-CE1 3.93Å; Y52-F87 HydrophobicContact CD2-CE1 3.93Å; Y52-F87 AromaticContact CD2-CZ 3.6Å; Y52-F87 HydrophobicContact CD2-CZ 3.6Å; Y52-F87 AromaticContact CE2-CE1 3.93Å; Y52-F87 HydrophobicContact CE2-CE1 3.93Å; Y52-F87 HydrophobicContact CE2-CE2 4.34Å; Y52-F87 AromaticContact CE2-CZ 3.43Å; Y52-F87 HydrophobicContact CE2-CZ 3.43Å; Y52-F87 VanDerWaalsContact CE2-CZ 3.43Å; Y52-F87 HydrophobicContact CG-CZ 4.47Å; F58-F87 HydrophobicContact CD1-CZ 4.28Å; F58-F87 HydrophobicContact CE1-CE2 4.11Å; F58-F87 AromaticContact CE1-CZ 3.88Å; F58-F87 HydrophobicContact CE1-CZ 3.88Å; P59-F87 HydrophobicContact CB-CD1 3.74Å; P59-F87 HydrophobicContact CB-CD2 4.29Å; P59-F87 HydrophobicContact CB-CE1 3.63Å; P59-F87 HydrophobicContact CB-CE2 4.21Å; P59-F87 HydrophobicContact CB-CG 4.07Å; P59-F87 HydrophobicContact CB-CZ 3.87Å; P59-F87 HydrophobicContact CG-CD1 4.09Å; P59-F87 HydrophobicContact CG-CD2 3.74Å; P59-F87 HydrophobicContact CG-CE1 3.84Å; P59-F87 HydrophobicContact CG-CE2 3.49Å; P59-F87 VanDerWaalsContact CG-CE2 3.49Å; P59-F87 HydrophobicContact CG-CG 4.03Å; P59-F87 HydrophobicContact CG-CZ 3.53Å; P59-F87 WeakPolarHBondContact O-CE1 3.44Å; P59-F87 WeakPolarHBondContact O-CZ 3.28Å; Q60-F87 VanDerWaalsContact O-CD1 3.25Å; Q60-F87 WeakPolarHBondContact O-CD1 3.39Å; Q60-F87 VanDerWaalsContact O-CE1 3.26Å; Q60-F87 WeakPolarHBondContact O-CE1 3.28Å; M83-F87 HydrophobicContact CE-CD2 4.31Å; M83-F87 HydrophobicContact CE-CE2 3.74Å; F87-Y93 HydrophobicContact CB-CD2 3.77Å; F87-Y93 HydrophobicContact CB-CE2 4.15Å; F87-Y93 HydrophobicContact CB-CG 4.47Å; F87-Y93 HydrophobicContact CD1-CE2 4.12Å; F87-P101 HydrophobicContact CD2-CG 3.79Å; F87-P101 HydrophobicContact CE2-CB 4.49Å; F87-P101 HydrophobicContact CE2-CG 3.48Å; F87-P101 VanDerWaalsContact CE2-CG 3.48Å
88H93Very high94.7Very high11 Ų1127.8 Ų27.85%0.05115%0.153CC..  trans-119.7148.7-176.8-49.186.3000111.9H66 Y90 E91 Y93H66-H88 AromaticContact CE1-CE1 3.27Å; H66-H88 PolarHBondContact CE1-CE1 3.07Å; H88-Y90 VanDerWaalsContact C-N 3.27Å; H88-Y90 HydrophobicContact CB-CD1 3.59Å; H88-Y90 HydrophobicContact CB-CD2 4.26Å; H88-Y90 HydrophobicContact CB-CE1 3.32Å; H88-Y90 HydrophobicContact CB-CE2 4.01Å; H88-Y90 HydrophobicContact CB-CG 4.05Å; H88-Y90 AromaticContact CD2-CE1 3.49Å; H88-Y90 VanDerWaalsContact CD2-CE1 3.49Å; H88-Y90 WeakPolarHBondContact CD2-CE1 3.35Å; H88-Y90 AromaticContact CD2-CZ 3.77Å; H88-Y90 PolarHBondContact CE1-OH 3.23Å; H88-Y90 AromaticContact CG-CE1 3.43Å; H88-Y90 VanDerWaalsContact CG-CE1 3.43Å; H88-Y90 AromaticContact CG-CZ 3.44Å; H88-Y90 VanDerWaalsContact CG-CZ 3.44Å; H88-Y90 AromaticContact ND1-CZ 3.69Å; H88-Y90 PolarHBondContact ND1-OH 2.89Å; H88-Y90 PolarHBondContact NE2-OH 2.84Å; H88-Y90 PolarHBondContact O-N 2.84Å; H88-E91 HydrophobicContact CB-CG 4.22Å; H88-E91 IonicContact CG-OE2 3.97Å; H88-E91 PolarHBondContact N-OE2 2.89Å; H88-E91 IonicContact ND1-OE2 3.58Å; H88-E91 PolarHBondContact ND1-OE2 2.77Å; H88-E91 WeakPolarHBondContact O-CB 3.3Å; H88-E91 PolarHBondContact O-N 3.28Å; H88-E91 VanDerWaalsContact O-N 3.13Å; H88-Y93 WeakPolarHBondContact O-CD2 3.33Å
89M91.6Very high94.7Very high28 Ų2827 Ų2714%0.13815%0.15CC..G310 helixtrans-62.5-34.9176.4-64.6-178.7176.500112.2E91 G92 N95 V98 Y139 M196 P225M89-E91 PolarHBondContact O-N 3.3Å; M89-G92 WeakPolarHBondContact O-CA 3.46Å; M89-G92 PolarHBondContact O-N 2.91Å; M89-N95 WeakPolarHBondContact CE-OD1 3.38Å; M89-V98 HydrophobicContact CG-CG2 4.43Å; M89-Y139 VanDerWaalsContact CE-OH 3.28Å; M89-Y139 WeakPolarHBondContact CE-OH 3.34Å; M89-M196 HydrophobicContact SD-CE 4.17Å; M89-P225 HydrophobicContact CE-CB 3.99Å; M89-P225 HydrophobicContact CE-CG 3.71Å
90Y92.7Very high94.6Very high68 Ų6822.1 Ų22.127%0.26713%0.129SC..G310 helixtrans-65.8-16.6177.666.1-110.4000113.7V63 H88 G92 P200 M221V63-Y90 HydrophobicContact CG2-CE2 4.17Å; V63-Y90 WeakPolarHBondContact CG2-OH 3.09Å; H88-Y90 VanDerWaalsContact C-N 3.27Å; H88-Y90 HydrophobicContact CB-CD1 3.59Å; H88-Y90 HydrophobicContact CB-CD2 4.26Å; H88-Y90 HydrophobicContact CB-CE1 3.32Å; H88-Y90 HydrophobicContact CB-CE2 4.01Å; H88-Y90 HydrophobicContact CB-CG 4.05Å; H88-Y90 AromaticContact CD2-CE1 3.49Å; H88-Y90 VanDerWaalsContact CD2-CE1 3.49Å; H88-Y90 WeakPolarHBondContact CD2-CE1 3.35Å; H88-Y90 AromaticContact CD2-CZ 3.77Å; H88-Y90 PolarHBondContact CE1-OH 3.23Å; H88-Y90 AromaticContact CG-CE1 3.43Å; H88-Y90 VanDerWaalsContact CG-CE1 3.43Å; H88-Y90 AromaticContact CG-CZ 3.44Å; H88-Y90 VanDerWaalsContact CG-CZ 3.44Å; H88-Y90 AromaticContact ND1-CZ 3.69Å; H88-Y90 PolarHBondContact ND1-OH 2.89Å; H88-Y90 PolarHBondContact NE2-OH 2.84Å; H88-Y90 PolarHBondContact O-N 2.84Å; Y90-G92 PolarHBondContact O-N 2.8Å; Y90-P200 HydrophobicContact CD2-CB 4.09Å; Y90-P200 HydrophobicContact CG-CB 4.08Å; Y90-M221 HydrophobicContact CD1-CB 4Å; Y90-M221 HydrophobicContact CD1-SD 4.37Å; Y90-M221 HydrophobicContact CE1-CB 3.84Å; Y90-M221 HydrophobicContact CE1-SD 4.25Å
91E92.6Very high94.6Very high39 Ų3922.3 Ų22.318%0.18213%0.13CC..G310 helixtrans-74.9-1.7171.5-63.3175.986.900111.7S62 V63 H88 M89 Y93S62-E91 PolarHBondContact N-OE1 2.93Å; S62-E91 VanDerWaalsContact N-OE1 3.14Å; S62-E91 PolarHBondContact OG-OE1 2.95Å; V63-E91 HydrophobicContact CG2-CG 4.12Å; H88-E91 HydrophobicContact CB-CG 4.22Å; H88-E91 IonicContact CG-OE2 3.97Å; H88-E91 PolarHBondContact N-OE2 2.89Å; H88-E91 IonicContact ND1-OE2 3.58Å; H88-E91 PolarHBondContact ND1-OE2 2.77Å; H88-E91 WeakPolarHBondContact O-CB 3.3Å; H88-E91 PolarHBondContact O-N 3.28Å; H88-E91 VanDerWaalsContact O-N 3.13Å; M89-E91 PolarHBondContact O-N 3.3Å; E91-Y93 HydrophobicContact CB-CD2 3.61Å; E91-Y93 HydrophobicContact CB-CE2 3.65Å; E91-Y93 HydrophobicContact CB-CG 4.47Å; E91-Y93 HydrophobicContact CG-CD2 4.39Å; E91-Y93 HydrophobicContact CG-CE2 4.24Å
92G91.2Very high94.6Very high70 Ų7022.3 Ų22.372%0.72213%0.13SC*.THydrogen-bonded Turntrans85.110.3-173.600000113.4M89 Y90M89-G92 WeakPolarHBondContact O-CA 3.46Å; M89-G92 PolarHBondContact O-N 2.91Å; Y90-G92 PolarHBondContact O-N 2.8Å
93Y92.5Very high94.6Very high50 Ų5022.9 Ų22.920%0.19613%0.132CC..  trans-71.7137.4176.8-71.5-49.6000112Q60 F87 H88 E91 T97Q60-Y93 VanDerWaalsContact O-CZ 3.26Å; Q60-Y93 PolarHBondContact O-OH 2.67Å; F87-Y93 HydrophobicContact CB-CD2 3.77Å; F87-Y93 HydrophobicContact CB-CE2 4.15Å; F87-Y93 HydrophobicContact CB-CG 4.47Å; F87-Y93 HydrophobicContact CD1-CE2 4.12Å; H88-Y93 WeakPolarHBondContact O-CD2 3.33Å; E91-Y93 HydrophobicContact CB-CD2 3.61Å; E91-Y93 HydrophobicContact CB-CE2 3.65Å; E91-Y93 HydrophobicContact CB-CG 4.47Å; E91-Y93 HydrophobicContact CG-CD2 4.39Å; E91-Y93 HydrophobicContact CG-CE2 4.24Å; Y93-T97 HydrophobicContact CD1-CG2 3.47Å; Y93-T97 VanDerWaalsContact CD1-CG2 3.47Å; Y93-T97 HydrophobicContact CE1-CG2 4.16Å; Y93-T97 HydrophobicContact CG-CG2 3.86Å
94S93.1Very high94.6Very high55 Ų5522.8 Ų22.839%0.38513%0.132SC..  trans-71.1162.3173.473.50000111.7D96 T97 V98S94-D96 PolarHBondContact O-N 2.69Å; S94-T97 WeakPolarHBondContact O-CB 3.4Å; S94-T97 PolarHBondContact O-N 3.5Å; S94-T97 PolarHBondContact OG-N 3.4Å; S94-T97 PolarHBondContact OG-OG1 3.1Å; S94-V98 PolarHBondContact O-N 3.42Å; S94-V98 VanDerWaalsContact O-N 3.16Å
95N94Very high94.8Very high30 Ų3021.8 Ų21.816%0.1613%0.127CC..Hα-helixtrans-54.9-40.1173.1-73.8-14.8000112.3M89 T97 V98 A99 N146 N147 I148M89-N95 WeakPolarHBondContact CE-OD1 3.38Å; N95-T97 VanDerWaalsContact C-N 3.31Å; N95-T97 PolarHBondContact O-N 2.87Å; N95-V98 PolarHBondContact O-N 3.27Å; N95-A99 VanDerWaalsContact O-CB 3.27Å; N95-A99 WeakPolarHBondContact O-CB 3.34Å; N95-A99 PolarHBondContact O-N 3.18Å; N95-N146 PolarHBondContact ND2-OD1 2.94Å; N95-N147 PolarHBondContact ND2-O 3.19Å; N95-I148 HydrophobicContact CB-CG1 3.92Å
96D94.8Very high95.2Very high60 Ų6025.3 Ų25.332%0.32114%0.142SC..Hα-helixtrans-60.9-41.8174.9-88.8-37.6000111.7V5 A7 S94 V98 A99 L100V5-D96 WeakPolarHBondContact O-CB 3.41Å; A7-D96 HydrophobicContact CB-CB 4.15Å; A7-D96 WeakPolarHBondContact CB-O 3.37Å; A7-D96 WeakPolarHBondContact CB-OD1 3.46Å; A7-D96 PolarHBondContact N-OD1 3.4Å; S94-D96 PolarHBondContact O-N 2.69Å; D96-V98 VanDerWaalsContact C-N 3.34Å; D96-V98 PolarHBondContact O-N 2.96Å; D96-A99 PolarHBondContact O-N 2.97Å; D96-L100 PolarHBondContact O-N 2.88Å
97T94.8Very high95.3Very high8 Ų828.1 Ų28.15%0.04916%0.157CC..Hα-helixtrans-62.7-42179.6-49.50000112V5 P59 Y93 S94 N95 P101V5-T97 HydrophobicContact CB-CG2 4.09Å; V5-T97 HydrophobicContact CG1-CG2 4.32Å; V5-T97 HydrophobicContact CG2-CG2 4.31Å; P59-T97 HydrophobicContact CB-CG2 3.44Å; P59-T97 VanDerWaalsContact CB-CG2 3.44Å; P59-T97 HydrophobicContact CG-CG2 3.83Å; Y93-T97 HydrophobicContact CD1-CG2 3.47Å; Y93-T97 VanDerWaalsContact CD1-CG2 3.47Å; Y93-T97 HydrophobicContact CE1-CG2 4.16Å; Y93-T97 HydrophobicContact CG-CG2 3.86Å; S94-T97 WeakPolarHBondContact O-CB 3.4Å; S94-T97 PolarHBondContact O-N 3.5Å; S94-T97 PolarHBondContact OG-N 3.4Å; S94-T97 PolarHBondContact OG-OG1 3.1Å; N95-T97 VanDerWaalsContact C-N 3.31Å; N95-T97 PolarHBondContact O-N 2.87Å; T97-P101 WeakPolarHBondContact O-CD 3.47Å
98V95.6Very high95.5Very high6 Ų628.3 Ų28.34%0.03616%0.158CC..Hα-helixtrans-71.7-33.4176.6-177.60000111.6M89 S94 N95 D96 P101 I148 P225 E226M89-V98 HydrophobicContact CG-CG2 4.43Å; S94-V98 PolarHBondContact O-N 3.42Å; S94-V98 VanDerWaalsContact O-N 3.16Å; N95-V98 PolarHBondContact O-N 3.27Å; D96-V98 VanDerWaalsContact C-N 3.34Å; D96-V98 PolarHBondContact O-N 2.96Å; V98-P101 WeakPolarHBondContact O-CD 3.03Å; V98-I148 HydrophobicContact CB-CD1 3.98Å; V98-I148 HydrophobicContact CG1-CD1 3.94Å; V98-P225 HydrophobicContact CG1-CB 3.88Å; V98-E226 HydrophobicContact CG1-CG 4.46Å
99A97Very high95.8Very high2 Ų229.2 Ų29.22%0.01717%0.17CC..Hα-helixtrans-74.3-33.5-179.500000113.9A7 N95 D96 I102 R103 I148 I229A7-A99 HydrophobicContact CB-CB 4.04Å; N95-A99 VanDerWaalsContact O-CB 3.27Å; N95-A99 WeakPolarHBondContact O-CB 3.34Å; N95-A99 PolarHBondContact O-N 3.18Å; D96-A99 PolarHBondContact O-N 2.97Å; A99-I102 PolarHBondContact O-N 3.06Å; A99-R103 PolarHBondContact O-N 3.14Å; A99-R103 VanDerWaalsContact O-N 3.15Å; A99-I148 HydrophobicContact CB-CD1 4.04Å; A99-I148 HydrophobicContact CB-CG1 4.33Å; A99-I229 HydrophobicContact CB-CD1 3.69Å; A99-I229 HydrophobicContact CB-CG1 3.74Å; A99-I229 HydrophobicContact CB-CG2 4.45Å
100L97.4Very high96.1Very high0 Ų027.9 Ų27.90%016%0.164CC..Hα-helixtrans-51.5-52.3-171.9176.878.2000113.2V5 A7 V12 V15 N57 F58 D96 I102 R103 V104V5-L100 HydrophobicContact CG1-CB 4.18Å; V5-L100 HydrophobicContact CG1-CD2 3.57Å; V5-L100 HydrophobicContact CG1-CG 4.39Å; A7-L100 HydrophobicContact CB-CB 4.11Å; A7-L100 HydrophobicContact CB-CD1 4.48Å; V12-L100 HydrophobicContact CG2-CD1 3.84Å; V15-L100 HydrophobicContact CG2-CD1 4.47Å; V15-L100 HydrophobicContact CG2-CD2 4.43Å; N57-L100 VanDerWaalsContact O-CD2 3.31Å; N57-L100 WeakPolarHBondContact O-CD2 3.27Å; F58-L100 HydrophobicContact CD2-CD2 4.27Å; D96-L100 PolarHBondContact O-N 2.88Å; L100-I102 VanDerWaalsContact C-N 3.26Å; L100-I102 PolarHBondContact O-N 3.06Å; L100-R103 PolarHBondContact O-N 2.96Å; L100-V104 HydrophobicContact CD1-CG2 4.11Å; L100-V104 HydrophobicContact CG-CG2 4.18Å; L100-V104 VanDerWaalsContact O-CG2 3.28Å; L100-V104 WeakPolarHBondContact O-CG2 3.42Å; L100-V104 PolarHBondContact O-N 3.19Å
101P97.7Very high96.4Very high4 Ų430.2 Ų30.23%0.02618%0.175CC..Hα-helixtrans-59.1-37-176.1-2333.9000113.2F58 P59 M83 F87 T97 V98 V104 M105F58-P101 HydrophobicContact CE2-CB 4.31Å; F58-P101 HydrophobicContact CE2-CG 4.37Å; F58-P101 HydrophobicContact CZ-CB 3.87Å; F58-P101 HydrophobicContact CZ-CG 3.93Å; P59-P101 HydrophobicContact CG-CG 4.42Å; M83-P101 HydrophobicContact CE-CB 3.58Å; M83-P101 HydrophobicContact CE-CG 3.92Å; M83-P101 HydrophobicContact SD-CB 3.61Å; F87-P101 HydrophobicContact CD2-CG 3.79Å; F87-P101 HydrophobicContact CE2-CB 4.49Å; F87-P101 HydrophobicContact CE2-CG 3.48Å; F87-P101 VanDerWaalsContact CE2-CG 3.48Å; T97-P101 WeakPolarHBondContact O-CD 3.47Å; V98-P101 WeakPolarHBondContact O-CD 3.03Å; P101-V104 PolarHBondContact O-N 3.19Å; P101-M105 WeakPolarHBondContact O-CG 3.37Å; P101-M105 PolarHBondContact O-N 2.9Å
102I98.4Very high96.7Very high0 Ų029.3 Ų29.30%017%0.171CC..Hα-helixtrans-73.2-39.7-178.1-49.4-52.8000110.8I32 A99 L100 V104 M105 K106 L113 E226 I229 A230I32-I102 HydrophobicContact CD1-CD1 3.52Å; A99-I102 PolarHBondContact O-N 3.06Å; L100-I102 VanDerWaalsContact C-N 3.26Å; L100-I102 PolarHBondContact O-N 3.06Å; I102-V104 VanDerWaalsContact C-N 3.32Å; I102-M105 WeakPolarHBondContact O-CB 3.28Å; I102-M105 PolarHBondContact O-N 2.84Å; I102-K106 PolarHBondContact O-N 3.16Å; I102-L113 HydrophobicContact CD1-CD2 4.22Å; I102-L113 HydrophobicContact CG2-CD2 4.47Å; I102-E226 HydrophobicContact CD1-CB 3.92Å; I102-E226 HydrophobicContact CD1-CG 4.01Å; I102-E226 HydrophobicContact CG1-CB 3.93Å; I102-E226 HydrophobicContact CG1-CG 4.05Å; I102-I229 HydrophobicContact CB-CB 4.23Å; I102-I229 HydrophobicContact CB-CG2 3.68Å; I102-I229 HydrophobicContact CG2-CB 4.16Å; I102-I229 HydrophobicContact CG2-CG2 3.74Å; I102-A230 HydrophobicContact CG2-CB 3.9Å
103R98.3Very high97Very high12 Ų1226 Ų265%0.04514%0.137CC..Hα-helixtrans-66-36.7172.9-71-173.1170.2160.11.2112.2A7 V12 A99 L100 K106 L107 F157 I229A7-R103 PolarHBondContact O-NH1 3.16Å; V12-R103 HydrophobicContact CB-CB 4.48Å; V12-R103 VanDerWaalsContact CG1-C 3.49Å; V12-R103 HydrophobicContact CG1-CB 3.75Å; V12-R103 HydrophobicContact CG2-CB 3.82Å; A99-R103 PolarHBondContact O-N 3.14Å; A99-R103 VanDerWaalsContact O-N 3.15Å; L100-R103 PolarHBondContact O-N 2.96Å; R103-K106 WeakPolarHBondContact O-CB 3.38Å; R103-K106 PolarHBondContact O-N 2.91Å; R103-L107 PolarHBondContact O-N 3.47Å; R103-L107 VanDerWaalsContact O-N 3.09Å; R103-F157 HydrophobicContact CB-CE1 3.92Å; R103-F157 HydrophobicContact CB-CZ 3.9Å; R103-F157 HydrophobicContact CG-CD1 4.28Å; R103-F157 HydrophobicContact CG-CE1 4.1Å; R103-F157 HydrophobicContact CG-CE2 4.34Å; R103-F157 HydrophobicContact CG-CG 4.49Å; R103-F157 HydrophobicContact CG-CZ 4.14Å; R103-I229 HydrophobicContact CG-CG2 3.81Å
104V98.3Very high97.3Very high2 Ų223.7 Ų23.71%0.01213%0.128CC..Hα-helixtrans-62.6-48172.3169.30000110V12 V15 A16 I19 L100 P101 I102 K106 L107 L108V12-V104 HydrophobicContact CG1-CG2 3.89Å; V15-V104 HydrophobicContact CB-CG2 3.88Å; V15-V104 HydrophobicContact CG1-CG1 4.16Å; V15-V104 HydrophobicContact CG1-CG2 3.55Å; A16-V104 HydrophobicContact CB-CG1 4.35Å; I19-V104 HydrophobicContact CD1-CG1 3.62Å; L100-V104 HydrophobicContact CD1-CG2 4.11Å; L100-V104 HydrophobicContact CG-CG2 4.18Å; L100-V104 VanDerWaalsContact O-CG2 3.28Å; L100-V104 WeakPolarHBondContact O-CG2 3.42Å; L100-V104 PolarHBondContact O-N 3.19Å; P101-V104 PolarHBondContact O-N 3.19Å; I102-V104 VanDerWaalsContact C-N 3.32Å; V104-K106 VanDerWaalsContact C-N 3.27Å; V104-K106 PolarHBondContact O-N 2.86Å; V104-L107 PolarHBondContact O-N 3.3Å; V104-L108 HydrophobicContact CG1-CD1 3.81Å; V104-L108 HydrophobicContact CG1-CG 4.2Å; V104-L108 VanDerWaalsContact O-CG 3.3Å; V104-L108 WeakPolarHBondContact O-CG 3.14Å; V104-L108 PolarHBondContact O-N 2.81Å
105M98.5Very high97.6Very high4 Ų421.1 Ų21.12%0.0211%0.11CC..Hα-helixtrans-54.6-42.9174.3-78.5-176.2179.700112.1V81 M83 P101 I102 L107 L108 G109 V110 L113V81-M105 HydrophobicContact CG1-CE 4.09Å; V81-M105 HydrophobicContact CG1-CG 4.1Å; V81-M105 HydrophobicContact CG1-SD 4.4Å; M83-M105 HydrophobicContact CB-CE 4.28Å; M83-M105 HydrophobicContact CG-CE 3.41Å; M83-M105 VanDerWaalsContact CG-CE 3.41Å; M83-M105 HydrophobicContact SD-CE 3.42Å; M83-M105 WeakPolarHBondContact SD-CE 3.27Å; M83-M105 HydrophobicContact SD-SD 4.49Å; P101-M105 WeakPolarHBondContact O-CG 3.37Å; P101-M105 PolarHBondContact O-N 2.9Å; I102-M105 WeakPolarHBondContact O-CB 3.28Å; I102-M105 PolarHBondContact O-N 2.84Å; M105-L107 PolarHBondContact O-N 2.81Å; M105-L108 PolarHBondContact O-N 2.97Å; M105-G109 PolarHBondContact O-N 2.92Å; M105-V110 HydrophobicContact CB-CB 4.01Å; M105-V110 HydrophobicContact CB-CG2 3.81Å; M105-V110 HydrophobicContact CG-CG2 4.21Å; M105-V110 VanDerWaalsContact O-CB 3.3Å; M105-V110 WeakPolarHBondContact O-CB 3.42Å; M105-V110 WeakPolarHBondContact O-CG2 3.4Å; M105-V110 PolarHBondContact O-N 2.79Å; M105-L113 HydrophobicContact SD-CD1 3.74Å
106K98.4Very high97.7Very high76 Ų7619.7 Ų19.733%0.3310%0.102SC..Hα-helixtrans-55.8-49.6173.8176.863.2-178.5-1670111.8I102 R103 V104 L108 G109 F157 C233 I235I102-K106 PolarHBondContact O-N 3.16Å; R103-K106 WeakPolarHBondContact O-CB 3.38Å; R103-K106 PolarHBondContact O-N 2.91Å; V104-K106 VanDerWaalsContact C-N 3.27Å; V104-K106 PolarHBondContact O-N 2.86Å; K106-L108 VanDerWaalsContact C-N 3.28Å; K106-L108 PolarHBondContact O-N 3.18Å; K106-G109 PolarHBondContact O-N 2.95Å; K106-F157 HydrophobicContact CG-CD1 4.44Å; K106-C233 HydrophobicContact CB-CB 4.17Å; K106-C233 HydrophobicContact CD-CB 3.99Å; K106-C233 WeakPolarHBondContact CD-O 3.47Å; K106-C233 WeakPolarHBondContact CE-O 3.5Å; K106-C233 HydrophobicContact CG-CB 3.9Å; K106-C233 PolarHBondContact NZ-O 2.83Å; K106-I235 HydrophobicContact CB-CD1 3.92Å; K106-I235 HydrophobicContact CD-CD1 4.08Å; K106-I235 HydrophobicContact CD-CG1 4.02Å
107L98.1Very high97.8Very high60 Ų6016.8 Ų16.831%0.3149%0.087SC..Hα-helixtrans-70.1-24.3-179.8-63.4-163.2000113.3I9 V12 K13 A16 R103 V104 M105 G109 F157I9-L107 HydrophobicContact CD1-CD1 4.29Å; V12-L107 HydrophobicContact CB-CD1 4.24Å; V12-L107 HydrophobicContact CG1-CD1 3.56Å; V12-L107 HydrophobicContact CG1-CG 3.91Å; K13-L107 HydrophobicContact CB-CD1 4.4Å; K13-L107 HydrophobicContact CG-CD1 3.66Å; A16-L107 HydrophobicContact CB-CB 3.93Å; A16-L107 HydrophobicContact CB-CD1 4.4Å; R103-L107 PolarHBondContact O-N 3.47Å; R103-L107 VanDerWaalsContact O-N 3.09Å; V104-L107 PolarHBondContact O-N 3.3Å; M105-L107 PolarHBondContact O-N 2.81Å; L107-G109 VanDerWaalsContact C-N 3.25Å; L107-G109 PolarHBondContact O-N 3.32Å; L107-F157 HydrophobicContact CD2-CE1 3.94Å; L107-F157 HydrophobicContact CD2-CZ 4.49Å; L107-F157 HydrophobicContact CG-CE1 4.2Å
108L98.3Very high97.9Very high10 Ų1017.3 Ų17.35%0.0529%0.092CC..Hα-helixtrans-76.4-11173.8-67.9174.9000113.2A16 I19 Q20 V26 P27 F72 V104 M105 K106A16-L108 HydrophobicContact CB-CD2 4.27Å; I19-L108 HydrophobicContact CB-CD2 4.4Å; I19-L108 HydrophobicContact CD1-CD1 4.34Å; I19-L108 HydrophobicContact CG2-CD1 3.99Å; I19-L108 HydrophobicContact CG2-CD2 4.1Å; Q20-L108 HydrophobicContact CG-CD2 3.72Å; V26-L108 WeakPolarHBondContact CG1-O 3.44Å; P27-L108 WeakPolarHBondContact CD-O 3.2Å; P27-L108 HydrophobicContact CG-CB 4.04Å; F72-L108 HydrophobicContact CE1-CD1 4.12Å; F72-L108 HydrophobicContact CZ-CD1 3.93Å; V104-L108 HydrophobicContact CG1-CD1 3.81Å; V104-L108 HydrophobicContact CG1-CG 4.2Å; V104-L108 VanDerWaalsContact O-CG 3.3Å; V104-L108 WeakPolarHBondContact O-CG 3.14Å; V104-L108 PolarHBondContact O-N 2.81Å; M105-L108 PolarHBondContact O-N 2.97Å; K106-L108 VanDerWaalsContact C-N 3.28Å; K106-L108 PolarHBondContact O-N 3.18Å
109G98Very high98Very high29 Ų2917.1 Ų17.130%0.2999%0.091SC..THydrogen-bonded Turntrans110.83.1176.100000115.3P27 M105 K106 L107 K111P27-G109 CarbonylContact O-C 3.55Å; M105-G109 PolarHBondContact O-N 2.92Å; K106-G109 PolarHBondContact O-N 2.95Å; L107-G109 VanDerWaalsContact C-N 3.25Å; L107-G109 PolarHBondContact O-N 3.32Å; G109-K111 PolarHBondContact O-N 2.85Å
110V98.7Very high98Very high1 Ų117.2 Ų17.21%0.0069%0.092CC..  trans-61.5128.7179.2173.30000110.6P27 G30 V81 M105 I112 I235P27-V110 HydrophobicContact CB-CG2 4.17Å; P27-V110 HydrophobicContact CG-CG2 3.94Å; P27-V110 PolarHBondContact O-N 2.99Å; G30-V110 VanDerWaalsContact N-CG1 3.29Å; V81-V110 HydrophobicContact CG1-CG2 3.75Å; M105-V110 HydrophobicContact CB-CB 4.01Å; M105-V110 HydrophobicContact CB-CG2 3.81Å; M105-V110 HydrophobicContact CG-CG2 4.21Å; M105-V110 VanDerWaalsContact O-CB 3.3Å; M105-V110 WeakPolarHBondContact O-CB 3.42Å; M105-V110 WeakPolarHBondContact O-CG2 3.4Å; M105-V110 PolarHBondContact O-N 2.79Å; V110-I112 WeakPolarHBondContact CG1-O 3.24Å; V110-I235 HydrophobicContact CG1-CD1 4.39Å; V110-I235 HydrophobicContact CG1-CG2 4.4Å
111K98.3Very high98.1Very high117 Ų11717.2 Ų17.251%0.5099%0.092SC..  trans-111.1-27.6177.1-59.4-177.1-174.9177.90112.7E28 G109 I235 Q236 D287E28-K111 PolarHBondContact O-N 3.25Å; G109-K111 PolarHBondContact O-N 2.85Å; K111-I235 WeakPolarHBondContact O-CA 3.18Å; K111-I235 WeakPolarHBondContact O-CG2 3.48Å; K111-Q236 PolarHBondContact O-N 2.96Å; K111-D287 IonicContact NZ-OD2 3.63Å; K111-D287 PolarHBondContact NZ-OD2 3.01Å
112I98.7Very high98.1Very high19 Ų1917 Ų1710%0.0979%0.091CC..EExtended strand (participates in β ladder)trans-123.8129.9178-59.6168.8000108.9E28 I29 G30 V110 M114 L172 Q236 L284E28-I112 PolarHBondContact O-N 3.49Å; I29-I112 CarbonylContact C-O 3.57Å; I29-I112 VanDerWaalsContact CA-O 3.31Å; I29-I112 WeakPolarHBondContact CA-O 3.38Å; I29-I112 HydrophobicContact CG1-CB 4.26Å; G30-I112 PolarHBondContact N-O 3.28Å; V110-I112 WeakPolarHBondContact CG1-O 3.24Å; I112-M114 HydrophobicContact CG2-CG 4.21Å; I112-L172 HydrophobicContact CG2-CD1 3.86Å; I112-Q236 CarbonylContact C-O 3.44Å; I112-Q236 WeakPolarHBondContact CA-O 3.5Å; I112-Q236 HydrophobicContact CG1-CB 4.33Å; I112-L284 HydrophobicContact CD1-CD1 3.87Å; I112-L284 HydrophobicContact CD1-CD2 4.19Å
113L98.8Very high98.1Very high1 Ų119.3 Ų19.31%0.00510%0.103CC..EExtended strand (participates in β ladder)trans-109.3120.7172.1-172.470.6000109.5G30 I32 I102 M105 V115 A230 I235 Q236 V237 F238G30-L113 CarbonylContact O-C 3.55Å; G30-L113 WeakPolarHBondContact O-CA 3.27Å; I32-L113 HydrophobicContact CD1-CD1 4.05Å; I32-L113 HydrophobicContact CD1-CD2 4.13Å; I32-L113 HydrophobicContact CD1-CG 4.43Å; I32-L113 HydrophobicContact CG1-CD1 3.97Å; I102-L113 HydrophobicContact CD1-CD2 4.22Å; I102-L113 HydrophobicContact CG2-CD2 4.47Å; M105-L113 HydrophobicContact SD-CD1 3.74Å; L113-V115 HydrophobicContact CD2-CG2 3.73Å; L113-V115 HydrophobicContact CG-CG2 3.71Å; L113-A230 HydrophobicContact CB-CB 4.49Å; L113-A230 HydrophobicContact CD2-CB 3.72Å; L113-I235 HydrophobicContact CB-CG2 3.68Å; L113-Q236 PolarHBondContact N-O 3.36Å; L113-V237 HydrophobicContact CB-CG2 4.38Å; L113-V237 WeakPolarHBondContact O-CA 3.48Å; L113-F238 PolarHBondContact O-N 3.4Å
114M98.6Very high98Very high2 Ų224.2 Ų24.21%0.0112%0.122CC..EExtended strand (participates in β ladder)trans-105116.8173-59.5-177.873.400109.6I29 G30 I31 I32 I112 F238 F277 I280 I281I29-M114 HydrophobicContact CG2-CG 4.16Å; I29-M114 HydrophobicContact CG2-SD 4.1Å; G30-M114 PolarHBondContact O-N 2.88Å; I31-M114 CarbonylContact C-O 3.59Å; I31-M114 VanDerWaalsContact CA-O 3.24Å; I31-M114 WeakPolarHBondContact CA-O 3.44Å; I31-M114 HydrophobicContact CG1-CB 4.4Å; I32-M114 PolarHBondContact N-O 2.98Å; I112-M114 HydrophobicContact CG2-CG 4.21Å; M114-F238 CarbonylContact C-O 3.56Å; M114-F238 VanDerWaalsContact CA-O 3.29Å; M114-F238 WeakPolarHBondContact CA-O 3.24Å; M114-F238 HydrophobicContact CB-CD1 4.33Å; M114-F238 HydrophobicContact CE-CD1 3.58Å; M114-F238 HydrophobicContact CE-CE1 3.92Å; M114-F238 HydrophobicContact CG-CB 4.4Å; M114-F238 HydrophobicContact CG-CD1 4.25Å; M114-F277 HydrophobicContact CB-CD1 4.15Å; M114-F277 HydrophobicContact CB-CE1 3.66Å; M114-F277 HydrophobicContact CB-CZ 4.44Å; M114-F277 HydrophobicContact CE-CB 4.33Å; M114-F277 HydrophobicContact CE-CD1 3.66Å; M114-F277 HydrophobicContact CE-CD2 4.25Å; M114-F277 HydrophobicContact CE-CE1 3.95Å; M114-F277 HydrophobicContact CE-CE2 4.48Å; M114-F277 HydrophobicContact CE-CG 3.82Å; M114-F277 HydrophobicContact CE-CZ 4.35Å; M114-F277 HydrophobicContact SD-CD1 4.26Å; M114-I280 HydrophobicContact CE-CB 4.13Å; M114-I280 HydrophobicContact CE-CD1 4.19Å; M114-I280 HydrophobicContact CE-CG2 3.82Å; M114-I281 HydrophobicContact CE-CG1 4.33Å; M114-I281 HydrophobicContact SD-CD1 3.79Å; M114-I281 HydrophobicContact SD-CG1 3.58Å; M114-I281 VanDerWaalsContact SD-CG1 3.58Å
115V98.3Very high97.9Very high0 Ų027.4 Ų27.40%014%0.144CC..EExtended strand (participates in β ladder)trans-114.5127.8-173.8-171.80000109.7I32 R86 L113 T223 V237 F238 A239 V240I32-V115 HydrophobicContact CB-CG1 4.31Å; I32-V115 HydrophobicContact CD1-CG2 4.18Å; I32-V115 HydrophobicContact CG1-CG2 4.48Å; R86-V115 VanDerWaalsContact NH2-CG1 3.32Å; L113-V115 HydrophobicContact CD2-CG2 3.73Å; L113-V115 HydrophobicContact CG-CG2 3.71Å; V115-T223 HydrophobicContact CG1-CG2 3.9Å; V115-V237 HydrophobicContact CG2-CG1 4.42Å; V115-F238 PolarHBondContact N-O 3.47Å; V115-A239 HydrophobicContact CB-CB 4.12Å; V115-A239 CarbonylContact O-C 3.54Å; V115-A239 VanDerWaalsContact O-CA 3.23Å; V115-A239 WeakPolarHBondContact O-CA 3.45Å; V115-V240 PolarHBondContact O-N 3.36Å
116S97.4Very high97.9Very high0 Ų027.9 Ų27.90%015%0.147CC..EExtended strand (participates in β ladder)trans-113.2139.3169.369.70000110.8I32 G34 L37 R86 V240 M273I32-S116 PolarHBondContact O-N 3.35Å; I32-S116 PolarHBondContact O-OG 3.13Å; G34-S116 WeakPolarHBondContact CA-O 3.3Å; G34-S116 PolarHBondContact N-O 3.33Å; L37-S116 WeakPolarHBondContact CD1-OG 3.45Å; R86-S116 PolarHBondContact NH2-O 3.36Å; S116-V240 CarbonylContact C-O 3.59Å; S116-V240 VanDerWaalsContact CA-O 3.31Å; S116-V240 WeakPolarHBondContact CA-O 3.18Å; S116-M273 WeakPolarHBondContact CB-SD 3.1Å
117N96.7Very high97.8Very high0 Ų031.2 Ų31.20%016%0.161CC..EExtended strand (participates in β ladder)trans-136.2164.2174.171.151000111.5T223 V240 S241 L242N117-T223 WeakPolarHBondContact CB-OG1 3.37Å; N117-T223 PolarHBondContact ND2-OG1 3.24Å; N117-V240 PolarHBondContact N-O 3.34Å; N117-S241 VanDerWaalsContact CG-OG 3.29Å; N117-S241 PolarHBondContact ND2-OG 2.87Å; N117-S241 WeakPolarHBondContact OD1-CA 3.47Å; N117-S241 VanDerWaalsContact OD1-CB 3.28Å; N117-S241 WeakPolarHBondContact OD1-CB 3.4Å; N117-S241 PolarHBondContact OD1-OG 3.18Å; N117-L242 PolarHBondContact O-N 3.13Å
118A96.1Very high97.7Very high19 Ų1932.9 Ų32.916%0.15717%0.17CC..EExtended strand (participates in β ladder)trans-88.9139.816200000109T244 V262A118-T244 HydrophobicContact CB-CG2 3.65Å; A118-V262 HydrophobicContact CB-CG1 3.61Å
119A97.7Very high97.6Very high2 Ų232.5 Ų32.52%0.01717%0.168CC..EExtended strand (participates in β ladder)trans-145.5153-17900000112.4Y194 V218 V219 L242 V243 T244A119-Y194 HydrophobicContact CB-CE2 4.16Å; A119-V218 HydrophobicContact CB-CB 3.98Å; A119-V218 HydrophobicContact CB-CG1 4.37Å; A119-V219 CarbonylContact C-O 3.59Å; A119-V219 VanDerWaalsContact CA-O 3.28Å; A119-V219 WeakPolarHBondContact CA-O 3.21Å; A119-V219 WeakPolarHBondContact CB-O 3.32Å; A119-L242 PolarHBondContact N-O 3Å; A119-V243 WeakPolarHBondContact O-CA 3.3Å; A119-T244 PolarHBondContact N-OG1 2.95Å; A119-T244 PolarHBondContact O-N 3.05Å; A119-T244 PolarHBondContact O-OG1 2.87Å
120G98Very high97.7Very high4 Ų431.5 Ų31.54%0.04116%0.156CC..EExtended strand (participates in β ladder)trans-78.5129.4167.100000110.9L122 V218 V219 N245G120-L122 PolarHBondContact O-N 2.8Å; G120-V218 CarbonylContact O-C 3.41Å; G120-V218 VanDerWaalsContact O-CA 3.24Å; G120-V218 WeakPolarHBondContact O-CA 3.46Å; G120-V219 PolarHBondContact N-O 2.92Å; G120-V219 PolarHBondContact O-N 2.84Å; G120-N245 CarbonylContact C-O 3.56Å; G120-N245 WeakPolarHBondContact CA-O 3.29Å; G120-N245 WeakPolarHBondContact CA-OD1 3.32Å
121G98.2Very high97.6Very high0 Ų031.4 Ų31.40%016%0.156CC..EExtended strand (participates in β ladder)trans-75.9112.6173.500000111R124 N245 S247G121-R124 PolarHBondContact O-NH2 3.14Å; G121-N245 PolarHBondContact N-O 3.49Å; G121-S247 WeakPolarHBondContact O-CB 3.28Å; G121-S247 PolarHBondContact O-N 3.06Å
122L98.4Very high97.7Very high0 Ų025.9 Ų25.90%013%0.132CC..  trans-85.7-46.9173.9-67.8168.7000110.6G120 R124 V195 C208 L211 L212 C216 D217 V219G120-L122 PolarHBondContact O-N 2.8Å; L122-R124 VanDerWaalsContact O-CZ 3.27Å; L122-R124 PolarHBondContact O-N 2.89Å; L122-R124 PolarHBondContact O-NE 2.83Å; L122-R124 PolarHBondContact O-NH2 2.91Å; L122-V195 HydrophobicContact CD1-CG1 4Å; L122-C208 HydrophobicContact CD2-CB 3.89Å; L122-L211 HydrophobicContact CD1-CB 3.67Å; L122-L211 HydrophobicContact CD1-CD1 4.47Å; L122-L211 HydrophobicContact CD2-CB 4.3Å; L122-L212 HydrophobicContact CB-CB 4.48Å; L122-L212 HydrophobicContact CB-CD1 4.38Å; L122-C216 HydrophobicContact CD1-CB 3.7Å; L122-D217 WeakPolarHBondContact CB-O 3.34Å; L122-D217 PolarHBondContact N-O 2.88Å; L122-V219 HydrophobicContact CD1-CB 3.95Å; L122-V219 HydrophobicContact CD1-CG1 4.21Å; L122-V219 HydrophobicContact CD2-CG1 4.02Å; L122-V219 HydrophobicContact CG-CB 4.23Å; L122-V219 HydrophobicContact CG-CG1 3.93Å
123N97.9Very high97.7Very high48 Ų4825 Ų2526%0.25713%0.127SC..SBendtrans-67.6124.4-179.5-174.9-20.1000110.7S125 L126 D217N123-S125 PolarHBondContact O-N 3.47Å; N123-S125 VanDerWaalsContact O-N 3.16Å; N123-S125 PolarHBondContact OD1-N 2.93Å; N123-S125 PolarHBondContact OD1-OG 3.19Å; N123-S125 VanDerWaalsContact OD1-OG 3.1Å; N123-L126 HydrophobicContact CB-CD1 3.97Å; N123-L126 HydrophobicContact CB-CG 4.14Å; N123-L126 WeakPolarHBondContact O-CB 3.42Å; N123-L126 PolarHBondContact O-N 3.13Å; N123-D217 HydrophobicContact CB-CB 4.23Å; N123-D217 PolarHBondContact N-O 3.31Å; N123-D217 VanDerWaalsContact N-O 3.09Å; N123-D217 PolarHBondContact ND2-OD1 3.19Å
124R95.8Very high97.7Very high114 Ų11424.9 Ų24.943%0.4313%0.127SC..THydrogen-bonded Turntrans-68-11.8-175.1-62.3-58.394.81728.1114.3G121 L122 L126 S247 L249G121-R124 PolarHBondContact O-NH2 3.14Å; L122-R124 VanDerWaalsContact O-CZ 3.27Å; L122-R124 PolarHBondContact O-N 2.89Å; L122-R124 PolarHBondContact O-NE 2.83Å; L122-R124 PolarHBondContact O-NH2 2.91Å; R124-L126 VanDerWaalsContact C-N 3.28Å; R124-S247 PolarHBondContact NH1-O 2.97Å; R124-S247 PolarHBondContact NH2-O 3.27Å; R124-L249 HydrophobicContact CG-CD1 4.25Å
125S96.8Very high97.7Very high70 Ų7029.1 Ų29.149%0.4915%0.145SC..THydrogen-bonded Turntrans-75.9-18.2170.970.10000113.3N123N123-S125 PolarHBondContact O-N 3.47Å; N123-S125 VanDerWaalsContact O-N 3.16Å; N123-S125 PolarHBondContact OD1-N 2.93Å; N123-S125 PolarHBondContact OD1-OG 3.19Å; N123-S125 VanDerWaalsContact OD1-OG 3.1Å
126L98.2Very high97.7Very high13 Ų1333 Ų337%0.06817%0.165CC..  trans-80.9149-179.5-60.7172.3000111.3N123 R124 V132 H190 D217 V218 V243N123-L126 HydrophobicContact CB-CD1 3.97Å; N123-L126 HydrophobicContact CB-CG 4.14Å; N123-L126 WeakPolarHBondContact O-CB 3.42Å; N123-L126 PolarHBondContact O-N 3.13Å; R124-L126 VanDerWaalsContact C-N 3.28Å; L126-V132 HydrophobicContact CD1-CG2 3.91Å; L126-V132 HydrophobicContact CD2-CG2 3.73Å; L126-V132 HydrophobicContact CG-CG2 4.49Å; L126-H190 HydrophobicContact CD2-CB 3.98Å; L126-D217 HydrophobicContact CD1-CB 4.47Å; L126-D217 WeakPolarHBondContact CD1-O 3.31Å; L126-V218 HydrophobicContact CD1-CG1 3.83Å; L126-V243 HydrophobicContact CB-CG2 4.36Å; L126-V243 HydrophobicContact CD1-CG2 4.2Å
127K97Very high97.7Very high146 Ų14634.1 Ų34.164%0.63517%0.171SC*.  trans-123.8161178.7-59.7174.5-173.8173.80110.5G129 D130 V243K127-G129 PolarHBondContact O-N 3.18Å; K127-D130 WeakPolarHBondContact CB-OD2 3.37Å; K127-D130 PolarHBondContact N-OD2 3.26Å; K127-D130 WeakPolarHBondContact O-CB 3.19Å; K127-D130 PolarHBondContact O-N 2.85Å; K127-D130 VanDerWaalsContact O-N 3.12Å; K127-V243 WeakPolarHBondContact O-CB 3.29Å; K127-V243 WeakPolarHBondContact O-CG1 3.41Å
128L96.1Very high97.8Very high96 Ų9635.7 Ų35.750%0.50318%0.179SC..THydrogen-bonded Turntrans-56.8131.1171-67.6176.5000110.1D130 N245 I246L128-D130 VanDerWaalsContact C-N 3.35Å; L128-N245 VanDerWaalsContact CD2-CA 3.42Å; L128-I246 HydrophobicContact CD2-CD1 4.31Å; L128-I246 HydrophobicContact CD2-CG1 3.97Å; L128-I246 HydrophobicContact CG-CD1 4.45Å; L128-I246 HydrophobicContact CG-CG1 4.03Å
129G96.8Very high97.9Very high1 Ų135.4 Ų35.41%0.0117%0.174CC..THydrogen-bonded Turntrans85.11.4-179.200000115K127 V243 R269K127-G129 PolarHBondContact O-N 3.18Å; G129-V243 PolarHBondContact N-O 3.4Å; G129-R269 PolarHBondContact O-NE 3.33Å
130D98.5Very high97.9Very high8 Ų838 Ų384%0.04319%0.187CC..  trans-73.3151.4171-72.6-11.5000110.9K127 L128 H190 V243K127-D130 WeakPolarHBondContact CB-OD2 3.37Å; K127-D130 PolarHBondContact N-OD2 3.26Å; K127-D130 WeakPolarHBondContact O-CB 3.19Å; K127-D130 PolarHBondContact O-N 2.85Å; K127-D130 VanDerWaalsContact O-N 3.12Å; L128-D130 VanDerWaalsContact C-N 3.35Å; D130-H190 IonicContact OD2-CD2 3.92Å; D130-H190 IonicContact OD2-NE2 3.35Å; D130-H190 PolarHBondContact OD2-NE2 3.12Å; D130-V243 HydrophobicContact CB-CB 4.5Å; D130-V243 HydrophobicContact CB-CG2 4.27Å; D130-V243 PolarHBondContact O-N 2.84Å
131F98.6Very high97.7Very high0 Ų038.8 Ų38.80%019%0.191CC..EExtended strand (participates in β ladder)trans-103.9133.3172.6-58.6-72.4000110.4L188 V189 H190 V240 S241 L242 R269 L272 M273 W276F131-L188 PolarHBondContact N-O 3.35Å; F131-V189 HydrophobicContact CB-CG2 4.36Å; F131-V189 HydrophobicContact CD2-CG2 4.36Å; F131-V189 WeakPolarHBondContact O-CA 3.41Å; F131-H190 PolarHBondContact O-N 3.42Å; F131-V240 HydrophobicContact CB-CG2 3.88Å; F131-V240 HydrophobicContact CD1-CG2 4.38Å; F131-S241 CarbonylContact C-O 3.53Å; F131-S241 WeakPolarHBondContact CA-O 3.41Å; F131-L242 HydrophobicContact CD1-CB 4.38Å; F131-L242 HydrophobicContact CD1-CD1 3.99Å; F131-L242 HydrophobicContact CE1-CB 4.48Å; F131-L242 HydrophobicContact CE1-CD1 3.78Å; F131-L242 HydrophobicContact CZ-CD1 4.48Å; F131-R269 HydrophobicContact CE1-CB 4.23Å; F131-R269 HydrophobicContact CZ-CB 3.93Å; F131-R269 HydrophobicContact CZ-CG 4.32Å; F131-L272 HydrophobicContact CE2-CD2 3.8Å; F131-L272 HydrophobicContact CE2-CG 4.07Å; F131-L272 HydrophobicContact CZ-CD2 4.37Å; F131-L272 HydrophobicContact CZ-CG 4.37Å; F131-M273 HydrophobicContact CD1-CE 3.73Å; F131-M273 HydrophobicContact CE1-CB 4.01Å; F131-M273 HydrophobicContact CE1-CE 3.44Å; F131-M273 VanDerWaalsContact CE1-CE 3.44Å; F131-M273 HydrophobicContact CE1-CG 4.41Å; F131-M273 HydrophobicContact CZ-CB 4.17Å; F131-W276 HydrophobicContact CB-CH2 4.28Å; F131-W276 HydrophobicContact CB-CZ3 3.72Å; F131-W276 HydrophobicContact CD1-CZ3 4.36Å; F131-W276 HydrophobicContact CD2-CE3 4.45Å; F131-W276 HydrophobicContact CD2-CZ3 4.16Å; F131-W276 HydrophobicContact CG-CE3 4.41Å; F131-W276 AromaticContact CG-CZ3 3.84Å; F131-W276 HydrophobicContact CG-CZ3 3.84Å
132V98.8Very high97.6Very high0 Ų039.4 Ų39.40%020%0.198CC..EExtended strand (participates in β ladder)trans-115.2107.3174.8-174.80000108.5L126 L134 H190 V218 V240 S241 V243L126-V132 HydrophobicContact CD1-CG2 3.91Å; L126-V132 HydrophobicContact CD2-CG2 3.73Å; L126-V132 HydrophobicContact CG-CG2 4.49Å; V132-L134 HydrophobicContact CG1-CD2 4.35Å; V132-L134 PolarHBondContact O-N 3.04Å; V132-H190 HydrophobicContact CG2-CB 4.4Å; V132-V218 HydrophobicContact CB-CG1 4.19Å; V132-V218 HydrophobicContact CB-CG2 4.3Å; V132-V218 HydrophobicContact CG1-CG2 4.07Å; V132-V218 HydrophobicContact CG2-CG1 3.74Å; V132-V240 CarbonylContact O-C 3.54Å; V132-V240 WeakPolarHBondContact O-CA 3.31Å; V132-S241 PolarHBondContact N-O 3.35Å; V132-S241 PolarHBondContact O-N 2.84Å; V132-V243 HydrophobicContact CG2-CG2 3.9Å
133I98.9Very high97.4Very high0 Ų045.7 Ų45.70%023%0.231CC..EExtended strand (participates in β ladder)trans-67123.2167.9-61.6168.8000107.5K135 R173 A176 V177 V189 H190 Q191 G192 F238 W276I133-K135 PolarHBondContact O-N 3.39Å; I133-R173 HydrophobicContact CG2-CB 3.96Å; I133-R173 HydrophobicContact CG2-CG 3.53Å; I133-A176 HydrophobicContact CD1-CB 3.87Å; I133-V177 HydrophobicContact CD1-CG2 3.6Å; I133-V189 HydrophobicContact CD1-CG1 3.59Å; I133-V189 HydrophobicContact CG1-CG1 4.01Å; I133-H190 PolarHBondContact N-O 3.34Å; I133-Q191 HydrophobicContact CB-CG 4.2Å; I133-Q191 VanDerWaalsContact O-CA 3.3Å; I133-Q191 WeakPolarHBondContact O-CA 3.11Å; I133-G192 PolarHBondContact O-N 3.32Å; I133-F238 HydrophobicContact CD1-CE2 4.45Å; I133-F238 HydrophobicContact CG1-CE2 4.15Å; I133-F238 HydrophobicContact CG1-CZ 4.38Å; I133-F238 HydrophobicContact CG2-CD2 4.47Å; I133-F238 HydrophobicContact CG2-CE2 3.85Å; I133-W276 HydrophobicContact CD1-CH2 3.94Å; I133-W276 HydrophobicContact CD1-CZ2 3.91Å; I133-W276 HydrophobicContact CG1-CH2 3.74Å; I133-W276 HydrophobicContact CG1-CZ2 4.21Å
134L98.8Very high97.1Very high0 Ų046.2 Ų46.20%025%0.248CC..EExtended strand (participates in β ladder)trans-75119.3-178.2-54.7-167.4000109.3V132 Y168 R173 G192 Y194 V218 T223 A239V132-L134 HydrophobicContact CG1-CD2 4.35Å; V132-L134 PolarHBondContact O-N 3.04Å; L134-Y168 HydrophobicContact CB-CD1 3.81Å; L134-Y168 HydrophobicContact CB-CD2 4.45Å; L134-Y168 HydrophobicContact CB-CE1 3.7Å; L134-Y168 HydrophobicContact CB-CE2 4.36Å; L134-Y168 HydrophobicContact CB-CG 4.18Å; L134-Y168 HydrophobicContact CD1-CE1 3.92Å; L134-Y168 HydrophobicContact CG-CE1 4.43Å; L134-Y168 WeakPolarHBondContact O-CB 3.33Å; L134-Y168 VanDerWaalsContact O-CG 3.3Å; L134-R173 WeakPolarHBondContact O-CD 3.49Å; L134-G192 WeakPolarHBondContact CA-O 3.47Å; L134-Y194 HydrophobicContact CD1-CD1 4.33Å; L134-Y194 HydrophobicContact CD1-CD2 4.23Å; L134-Y194 HydrophobicContact CD1-CG 3.83Å; L134-Y194 HydrophobicContact CD2-CD2 4.34Å; L134-Y194 HydrophobicContact CD2-CG 4.34Å; L134-V218 HydrophobicContact CD2-CG2 4Å; L134-T223 HydrophobicContact CD1-CG2 4.24Å; L134-A239 HydrophobicContact CB-CB 4.2Å; L134-A239 HydrophobicContact CD1-CB 3.86Å; L134-A239 HydrophobicContact CG-CB 4.08Å; L134-A239 PolarHBondContact N-O 3.37Å
135K98.5Very high96.7Very high91 Ų9148.1 Ų48.140%0.39627%0.265SS..EExtended strand (participates in β ladder)trans-95.6-25.5175.374.7-166.7175.3-163.60112.4I133 Q191 G192 V193I133-K135 PolarHBondContact O-N 3.39Å; K135-Q191 HydrophobicContact CD-CB 4.46Å; K135-G192 PolarHBondContact N-O 3.08Å; K135-V193 HydrophobicContact CG-CG2 4.47Å
136D98.4Very high96.5Very high80 Ų8048.3 Ų48.343%0.42826%0.261SS..EExtended strand (participates in β ladder)trans-161175.2178.2-149.4-17.5000110.5Y168 V193 Y194D136-Y168 VanDerWaalsContact C-CE2 3.5Å; D136-V193 HydrophobicContact CB-CG2 4.27Å; D136-V193 WeakPolarHBondContact O-CA 3.48Å; D136-Y194 PolarHBondContact O-N 3.45Å
137H98.6Very high96.4Very high25 Ų2549.9 Ų49.912%0.11627%0.27CS..EExtended strand (participates in β ladder)trans-143.1161174.466.3-121.7000115.9Y168 Y194 I224H137-Y168 HydrophobicContact CB-CE2 4Å; H137-Y168 WeakPolarHBondContact CB-OH 2.71Å; H137-Y168 AromaticContact CG-CE2 3.98Å; H137-Y168 AromaticContact ND1-CE2 3.3Å; H137-Y168 VanDerWaalsContact ND1-CE2 3.3Å; H137-Y168 WeakPolarHBondContact ND1-CE2 3.37Å; H137-Y168 AromaticContact ND1-CZ 3.44Å; H137-Y168 PolarHBondContact ND1-OH 3.24Å; H137-Y194 CarbonylContact C-O 3.52Å; H137-Y194 WeakPolarHBondContact CA-O 3.2Å; H137-Y194 VanDerWaalsContact CB-O 3.24Å; H137-Y194 WeakPolarHBondContact CB-O 3.3Å; H137-I224 HydrophobicContact CB-CD1 3.62Å; H137-I224 HydrophobicContact CB-CG1 4Å
138I98.2Very high96.3Very high33 Ų3343.4 Ų43.417%0.16924%0.241CC..EExtended strand (participates in β ladder)trans-113.4117.5162.6-57.8-169.3000108.5L140 L143 V193 Y194 V195 M196 M214 C216 I224I138-L140 HydrophobicContact CG2-CD2 3.88Å; I138-L140 HydrophobicContact CG2-CG 4.28Å; I138-L140 PolarHBondContact O-N 3Å; I138-L143 HydrophobicContact CG2-CD1 4.13Å; I138-V193 HydrophobicContact CG1-CG1 4.31Å; I138-Y194 PolarHBondContact N-O 3.22Å; I138-V195 HydrophobicContact CB-CB 4.17Å; I138-V195 HydrophobicContact CB-CG2 3.96Å; I138-V195 HydrophobicContact CG2-CG2 4.17Å; I138-V195 WeakPolarHBondContact O-CA 3.28Å; I138-M196 PolarHBondContact O-N 3.31Å; I138-M214 HydrophobicContact CD1-CB 4.34Å; I138-M214 HydrophobicContact CD1-CE 3.84Å; I138-M214 HydrophobicContact CG2-CE 4.32Å; I138-C216 VanDerWaalsContact CD1-SG 3.52Å; I138-I224 VanDerWaalsContact O-CD1 3.29Å; I138-I224 WeakPolarHBondContact O-CD1 3.27Å
139Y97.7Very high96.3Very high13 Ų1340.4 Ų40.45%0.05123%0.226CC..EExtended strand (participates in β ladder)trans-98.981.6-178.6-169.7-160000111.1M89 P141 G142 L143 N146 M196 I224 P225 V228M89-Y139 VanDerWaalsContact CE-OH 3.28Å; M89-Y139 WeakPolarHBondContact CE-OH 3.34Å; Y139-P141 HydrophobicContact CD2-CB 4.4Å; Y139-P141 HydrophobicContact CD2-CG 4.38Å; Y139-P141 HydrophobicContact CE2-CB 3.81Å; Y139-P141 HydrophobicContact CE2-CG 4Å; Y139-G142 VanDerWaalsContact CD1-CA 3.46Å; Y139-G142 CarbonylContact O-C 3.52Å; Y139-G142 WeakPolarHBondContact O-CA 3.5Å; Y139-G142 PolarHBondContact O-N 3.48Å; Y139-L143 PolarHBondContact O-N 3.28Å; Y139-N146 PolarHBondContact OH-O 2.83Å; Y139-M196 HydrophobicContact CD2-CB 4.33Å; Y139-M196 HydrophobicContact CD2-SD 3.88Å; Y139-M196 HydrophobicContact CE2-CE 4.34Å; Y139-M196 HydrophobicContact CE2-SD 3.55Å; Y139-M196 VanDerWaalsContact CE2-SD 3.55Å; Y139-I224 HydrophobicContact CD1-CG2 3.77Å; Y139-I224 HydrophobicContact CD2-CB 4Å; Y139-I224 HydrophobicContact CD2-CD1 4.15Å; Y139-I224 HydrophobicContact CD2-CG2 3.75Å; Y139-I224 HydrophobicContact CE1-CG2 4.38Å; Y139-I224 HydrophobicContact CE2-CB 4.46Å; Y139-I224 HydrophobicContact CE2-CG2 4.35Å; Y139-I224 HydrophobicContact CG-CB 4.23Å; Y139-I224 HydrophobicContact CG-CD1 4.32Å; Y139-I224 HydrophobicContact CG-CG2 3.46Å; Y139-I224 VanDerWaalsContact CG-CG2 3.46Å; Y139-P225 HydrophobicContact CE2-CG 4.21Å; Y139-V228 HydrophobicContact CD1-CG2 4.5Å
140L96.9Very high96.2Very high56 Ų5644.8 Ų44.829%0.29325%0.252SS..Hα-helixtrans-58.1-47.5-174.2-63.5173.9000113.3I138 G142 L143 G144 V195 M196 L211I138-L140 HydrophobicContact CG2-CD2 3.88Å; I138-L140 HydrophobicContact CG2-CG 4.28Å; I138-L140 PolarHBondContact O-N 3Å; L140-G142 PolarHBondContact O-N 3.22Å; L140-L143 PolarHBondContact O-N 3.43Å; L140-G144 PolarHBondContact O-N 2.99Å; L140-V195 HydrophobicContact CD1-CG2 3.82Å; L140-V195 HydrophobicContact CG-CG2 3.86Å; L140-M196 WeakPolarHBondContact CB-O 3.42Å; L140-M196 PolarHBondContact N-O 3.37Å; L140-L211 HydrophobicContact CD1-CD2 4.05Å
141P94.6Very high96Very high20 Ų2046.1 Ų46.113%0.1327%0.268CS..Hα-helixtrans-57.6-37.5173.1-24.734000112.8Y139 G144 N146 M196Y139-P141 HydrophobicContact CD2-CB 4.4Å; Y139-P141 HydrophobicContact CD2-CG 4.38Å; Y139-P141 HydrophobicContact CE2-CB 3.81Å; Y139-P141 HydrophobicContact CE2-CG 4Å; P141-G144 CarbonylContact O-C 3.54Å; P141-G144 PolarHBondContact O-N 2.96Å; P141-N146 CarbonylContact O-C 3.56Å; P141-N146 VanDerWaalsContact O-C 3.31Å; P141-N146 VanDerWaalsContact O-CA 3.31Å; P141-N146 WeakPolarHBondContact O-CA 3.47Å; P141-N146 WeakPolarHBondContact O-CB 3.39Å; P141-N146 PolarHBondContact O-N 2.93Å; P141-M196 WeakPolarHBondContact CD-O 3.48Å; P141-M196 HydrophobicContact CG-CE 4.36Å
142G95.6Very high95.8Very high13 Ų1352.1 Ų52.113%0.13431%0.307CS..Hα-helixtrans-67.5-39.6177.900000114.5Y139 L140 G144Y139-G142 VanDerWaalsContact CD1-CA 3.46Å; Y139-G142 CarbonylContact O-C 3.52Å; Y139-G142 WeakPolarHBondContact O-CA 3.5Å; Y139-G142 PolarHBondContact O-N 3.48Å; L140-G142 PolarHBondContact O-N 3.22Å; G142-G144 VanDerWaalsContact C-N 3.3Å
143L95.1Very high95.6Very high133 Ų13353.9 Ų53.970%0.69632%0.316SS*.Hα-helixtrans-68.3-32.7173.8-67.6175000111.3I138 Y139 L140 L145I138-L143 HydrophobicContact CG2-CD1 4.13Å; Y139-L143 PolarHBondContact O-N 3.28Å; L140-L143 PolarHBondContact O-N 3.43Å; L143-L145 PolarHBondContact O-N 3.3Å
144G91.2Very high95.5Very high59 Ų5955.4 Ų55.461%0.60832%0.323SS*.THydrogen-bonded Turntrans-80.427.6176.400000115.6L140 P141 G142 N146L140-G144 PolarHBondContact O-N 2.99Å; P141-G144 CarbonylContact O-C 3.54Å; P141-G144 PolarHBondContact O-N 2.96Å; G142-G144 VanDerWaalsContact C-N 3.3Å; G144-N146 VanDerWaalsContact C-N 3.25Å; G144-N146 PolarHBondContact O-N 2.71Å
145L88.2Confident95.4Very high154 Ų15463 Ų6381%0.80636%0.359SS*.THydrogen-bonded Turntrans68.62.7-178.5-55175.5000116.8L143 V150L143-L145 PolarHBondContact O-N 3.3Å; L145-V150 WeakPolarHBondContact O-CG2 3.25Å
146N92Very high95.3Very high73 Ų7365 Ų6539%0.3937%0.369SS..  trans-101.450.2171.1-168.427.7000111.7N95 Y139 P141 G144N95-N146 PolarHBondContact ND2-OD1 2.94Å; Y139-N146 PolarHBondContact OH-O 2.83Å; P141-N146 CarbonylContact O-C 3.56Å; P141-N146 VanDerWaalsContact O-C 3.31Å; P141-N146 VanDerWaalsContact O-CA 3.31Å; P141-N146 WeakPolarHBondContact O-CA 3.47Å; P141-N146 WeakPolarHBondContact O-CB 3.39Å; P141-N146 PolarHBondContact O-N 2.93Å; G144-N146 VanDerWaalsContact C-N 3.25Å; G144-N146 PolarHBondContact O-N 2.71Å
147N95.7Very high95.2Very high47 Ų4762 Ų6225%0.25135%0.352SS..  trans-69.2140.6171.7-171.4-59.2000109.7N95 L149 V150N95-N147 PolarHBondContact ND2-O 3.19Å; N147-L149 PolarHBondContact O-N 3.13Å; N147-L149 PolarHBondContact OD1-N 3.36Å; N147-V150 HydrophobicContact CB-CG2 3.98Å; N147-V150 VanDerWaalsContact O-CB 3.3Å; N147-V150 WeakPolarHBondContact O-CB 3.26Å; N147-V150 WeakPolarHBondContact O-CG2 3.49Å; N147-V150 PolarHBondContact O-N 2.82Å
148I96Very high95.2Very high9 Ų961.5 Ų61.55%0.04636%0.355CS..THydrogen-bonded Turntrans-60.5-19-178.7-166163.9000113.2N95 V98 A99 P225 V228 I229N95-I148 HydrophobicContact CB-CG1 3.92Å; V98-I148 HydrophobicContact CB-CD1 3.98Å; V98-I148 HydrophobicContact CG1-CD1 3.94Å; A99-I148 HydrophobicContact CB-CD1 4.04Å; A99-I148 HydrophobicContact CB-CG1 4.33Å; I148-P225 HydrophobicContact CB-CB 4.14Å; I148-P225 HydrophobicContact CD1-CB 3.34Å; I148-P225 HydrophobicContact CG1-CB 4.27Å; I148-P225 HydrophobicContact CG2-CB 4.4Å; I148-V228 HydrophobicContact CG2-CB 3.82Å; I148-V228 HydrophobicContact CG2-CG1 3.63Å; I148-I229 HydrophobicContact CD1-CD1 4.26Å; I148-I229 HydrophobicContact CD1-CG1 3.7Å; I148-I229 HydrophobicContact CG1-CD1 4.06Å; I148-I229 HydrophobicContact CG1-CG1 4.04Å; I148-I229 HydrophobicContact CG2-CD1 3.97Å; I148-I229 HydrophobicContact CG2-CG1 3.96Å
149L96.4Very high95.1Very high33 Ų3364.2 Ų64.217%0.17337%0.373CS..THydrogen-bonded Turntrans-95.19.1176.1-63.1176.5000114.4N147 P162 V228 I229 H232N147-L149 PolarHBondContact O-N 3.13Å; N147-L149 PolarHBondContact OD1-N 3.36Å; L149-P162 HydrophobicContact CD1-CG 3.57Å; L149-V228 HydrophobicContact CD1-CG1 3.67Å; L149-V228 HydrophobicContact CG-CG1 3.9Å; L149-I229 HydrophobicContact CD2-CD1 3.58Å; L149-I229 HydrophobicContact CG-CD1 4.43Å; L149-H232 HydrophobicContact CD1-CB 4.18Å; L149-H232 HydrophobicContact CD2-CB 4.27Å
150V94.6Very high95.1Very high94 Ų9468.7 Ų68.757%0.5739%0.39SS*.  trans-61.2141.5172.8169.10000110.3L145 N147L145-V150 WeakPolarHBondContact O-CG2 3.25Å; N147-V150 HydrophobicContact CB-CG2 3.98Å; N147-V150 VanDerWaalsContact O-CB 3.3Å; N147-V150 WeakPolarHBondContact O-CB 3.26Å; N147-V150 WeakPolarHBondContact O-CG2 3.49Å; N147-V150 PolarHBondContact O-N 2.82Å
151G93Very high95.1Very high35 Ų3574.3 Ų74.336%0.36141%0.412SS..SBendtrans107.7-166.2-174.700000112.6R160G151-R160 PolarHBondContact O-NH1 2.77Å; G151-R160 PolarHBondContact O-NH2 2.88Å
152P93.8Very high95.2Very high126 Ų12675 Ų7582%0.81842%0.416SS*.SBendtrans-63.3144.7174.5-22.834.8000112.5
153N96.6Very high95.2Very high38 Ų3878.1 Ų78.120%0.20344%0.441CS..  trans-73.2149.7175.3-169.441.7000110.4E155 G158 R160 H232N153-E155 WeakPolarHBondContact ND2-CG 3.5Å; N153-G158 PolarHBondContact ND2-O 3.49Å; N153-R160 HydrophobicContact CB-CB 4.44Å; N153-R160 PolarHBondContact ND2-N 2.97Å; N153-H232 PolarHBondContact OD1-NE2 2.91Å
154Q95.7Very high95.3Very high32 Ų3274.1 Ų74.115%0.1542%0.42CS..  trans-107.891.2167.5-61.7-17336.200107.8A7 E156 F157 G158A7-Q154 PolarHBondContact O-NE2 3.24Å; A7-Q154 PolarHBondContact O-OE1 3.16Å; A7-Q154 VanDerWaalsContact O-OE1 3.1Å; Q154-E156 PolarHBondContact O-N 2.74Å; Q154-F157 HydrophobicContact CB-CD2 3.87Å; Q154-F157 PolarHBondContact O-N 3.26Å; Q154-G158 PolarHBondContact O-N 2.91Å
155E96.2Very high95.5Very high160 Ų16077 Ų7775%0.74843%0.431SS*.THydrogen-bonded Turntrans-62.4-24.7-172-67.9-177.7177.500112.7N153 F157N153-E155 WeakPolarHBondContact ND2-CG 3.5Å; E155-F157 PolarHBondContact O-N 3.02Å
156E96.7Very high95.9Very high132 Ų13272.7 Ų72.762%0.61741%0.409SS*.THydrogen-bonded Turntrans-67.7-22.1175.7-54.697.4132.100113.1Q154Q154-E156 PolarHBondContact O-N 2.74Å
157F97.3Very high96.2Very high16 Ų1669.3 Ų69.37%0.0739%0.391CS..THydrogen-bonded Turntrans-94.5-40.5174.9-73.2-67000112I9 V12 R103 K106 L107 Q154 E155 C233I9-F157 HydrophobicContact CB-CE2 4.15Å; I9-F157 HydrophobicContact CD1-CE1 4.21Å; I9-F157 HydrophobicContact CD1-CE2 3.66Å; I9-F157 HydrophobicContact CD1-CZ 3.44Å; I9-F157 VanDerWaalsContact CD1-CZ 3.44Å; I9-F157 HydrophobicContact CG1-CE2 4.48Å; V12-F157 HydrophobicContact CB-CZ 4.1Å; V12-F157 HydrophobicContact CG1-CE1 4.49Å; V12-F157 HydrophobicContact CG1-CZ 3.91Å; V12-F157 HydrophobicContact CG2-CE2 4.41Å; V12-F157 HydrophobicContact CG2-CZ 4.09Å; R103-F157 HydrophobicContact CB-CE1 3.92Å; R103-F157 HydrophobicContact CB-CZ 3.9Å; R103-F157 HydrophobicContact CG-CD1 4.28Å; R103-F157 HydrophobicContact CG-CE1 4.1Å; R103-F157 HydrophobicContact CG-CE2 4.34Å; R103-F157 HydrophobicContact CG-CG 4.49Å; R103-F157 HydrophobicContact CG-CZ 4.14Å; K106-F157 HydrophobicContact CG-CD1 4.44Å; L107-F157 HydrophobicContact CD2-CE1 3.94Å; L107-F157 HydrophobicContact CD2-CZ 4.49Å; L107-F157 HydrophobicContact CG-CE1 4.2Å; Q154-F157 HydrophobicContact CB-CD2 3.87Å; Q154-F157 PolarHBondContact O-N 3.26Å; E155-F157 PolarHBondContact O-N 3.02Å; F157-C233 WeakPolarHBondContact O-CA 3.45Å
158G97.1Very high96.3Very high16 Ų1667.1 Ų67.117%0.16538%0.379CS..  trans179.2179.1-176.800000115.5N153 Q154 H232N153-G158 PolarHBondContact ND2-O 3.49Å; Q154-G158 PolarHBondContact O-N 2.91Å; G158-H232 WeakPolarHBondContact CA-O 3.37Å; G158-H232 PolarHBondContact O-NE2 3.24Å
159T97.2Very high96.4Very high89 Ų8967.2 Ų67.255%0.54638%0.38SS..  trans-63.6155.1-179.6-177.60000112.7F161 P162 H232T159-F161 VanDerWaalsContact C-N 3.27Å; T159-F161 PolarHBondContact O-N 2.89Å; T159-P162 HydrophobicContact CG2-CB 4.14Å; T159-H232 PolarHBondContact O-CD2 3.35Å; T159-H232 PolarHBondContact O-NE2 2.9Å; T159-H232 VanDerWaalsContact O-NE2 3.11Å
160R97.4Very high96.5Very high108 Ų10871.9 Ų71.941%0.40840%0.395SS..SBendtrans-60.6-35.3174.6177.964.1-170.3177.6-0.4113G151 N153 P162G151-R160 PolarHBondContact O-NH1 2.77Å; G151-R160 PolarHBondContact O-NH2 2.88Å; N153-R160 HydrophobicContact CB-CB 4.44Å; N153-R160 PolarHBondContact ND2-N 2.97Å; R160-P162 WeakPolarHBondContact O-CD 3.3Å
161F96.5Very high96.7Very high173 Ų17371.5 Ų71.576%0.75939%0.39SS*.SBendtrans-125.776-173.3-55-65.2000110T159T159-F161 VanDerWaalsContact C-N 3.27Å; T159-F161 PolarHBondContact O-N 2.89Å
162P96.5Very high97Very high34 Ų3470.4 Ų70.422%0.22138%0.376CS..  trans-70.3134.8-179.628.3-33.2000110.9L149 T159 R160L149-P162 HydrophobicContact CD1-CG 3.57Å; T159-P162 HydrophobicContact CG2-CB 4.14Å; R160-P162 WeakPolarHBondContact O-CD 3.3Å
163A96.5Very high97.2Very high80 Ų8066.4 Ų66.466%0.66134%0.344SS*.  trans-81135.7171.900000110.9
164L97.3Very high97.3Very high48 Ų4870.6 Ų70.625%0.25136%0.361SS..  trans-1108.6-179.4-64178000113.7N166 A167 V228 R231L164-N166 PolarHBondContact O-N 2.77Å; L164-A167 HydrophobicContact CB-CB 4.11Å; L164-A167 HydrophobicContact CD2-CB 4.12Å; L164-A167 VanDerWaalsContact O-CB 3.3Å; L164-A167 WeakPolarHBondContact O-CB 3.42Å; L164-A167 PolarHBondContact O-N 3.4Å; L164-V228 HydrophobicContact CD1-CG2 3.92Å; L164-R231 HydrophobicContact CD2-CB 3.9Å; L164-R231 HydrophobicContact CD2-CG 4.16Å
165S94.5Very high97.4Very high121 Ų12170.4 Ų70.485%0.84636%0.36SS*.THydrogen-bonded Turntrans-61-10-179.551.80000115.4
166N96.3Very high97.5Very high63 Ų6362.8 Ų62.834%0.33733%0.325SS..THydrogen-bonded Turntrans-14252.7166.4-175.947.2000108.2L164 Y168 R170 R231L164-N166 PolarHBondContact O-N 2.77Å; N166-Y168 PolarHBondContact O-N 3.39Å; N166-Y168 PolarHBondContact OD1-O 3.38Å; N166-R170 PolarHBondContact OD1-N 3.39Å; N166-R231 PolarHBondContact O-NE 2.75Å; N166-R231 PolarHBondContact O-NH2 3.29Å; N166-R231 VanDerWaalsContact O-NH2 3.07Å
167A98.5Very high97.6Very high1 Ų158 Ų581%0.00830%0.304CS..SBendtrans-63.4-35.2176.900000111.2L164 V227 R231 V237L164-A167 HydrophobicContact CB-CB 4.11Å; L164-A167 HydrophobicContact CD2-CB 4.12Å; L164-A167 VanDerWaalsContact O-CB 3.3Å; L164-A167 WeakPolarHBondContact O-CB 3.42Å; L164-A167 PolarHBondContact O-N 3.4Å; A167-V227 HydrophobicContact CB-CG1 4.02Å; A167-R231 HydrophobicContact CB-CG 4.22Å; A167-R231 VanDerWaalsContact O-CD 3.29Å; A167-R231 WeakPolarHBondContact O-CD 2.97Å; A167-V237 WeakPolarHBondContact O-CB 3.5Å
168Y98.7Very high97.7Very high2 Ų261.4 Ų61.41%0.00832%0.321CS..SBendtrans-105.4107.5173.9-53.4-81.8000109.5L134 D136 H137 N166 R170 R173 V227 A239L134-Y168 HydrophobicContact CB-CD1 3.81Å; L134-Y168 HydrophobicContact CB-CD2 4.45Å; L134-Y168 HydrophobicContact CB-CE1 3.7Å; L134-Y168 HydrophobicContact CB-CE2 4.36Å; L134-Y168 HydrophobicContact CB-CG 4.18Å; L134-Y168 HydrophobicContact CD1-CE1 3.92Å; L134-Y168 HydrophobicContact CG-CE1 4.43Å; L134-Y168 WeakPolarHBondContact O-CB 3.33Å; L134-Y168 VanDerWaalsContact O-CG 3.3Å; D136-Y168 VanDerWaalsContact C-CE2 3.5Å; H137-Y168 HydrophobicContact CB-CE2 4Å; H137-Y168 WeakPolarHBondContact CB-OH 2.71Å; H137-Y168 AromaticContact CG-CE2 3.98Å; H137-Y168 AromaticContact ND1-CE2 3.3Å; H137-Y168 VanDerWaalsContact ND1-CE2 3.3Å; H137-Y168 WeakPolarHBondContact ND1-CE2 3.37Å; H137-Y168 AromaticContact ND1-CZ 3.44Å; H137-Y168 PolarHBondContact ND1-OH 3.24Å; N166-Y168 PolarHBondContact O-N 3.39Å; N166-Y168 PolarHBondContact OD1-O 3.38Å; Y168-R170 PolarHBondContact O-N 2.9Å; Y168-R170 VanDerWaalsContact O-N 3.13Å; Y168-R173 PolarHBondContact O-NE 3.24Å; Y168-V227 HydrophobicContact CE1-CG1 4.13Å; Y168-V227 HydrophobicContact CE1-CG2 3.8Å; Y168-A239 HydrophobicContact CD1-CB 3.73Å; Y168-A239 HydrophobicContact CE1-CB 3.58Å
169D98.5Very high97.8Very high11 Ų1160.6 Ų60.66%0.05931%0.313CS..  trans-58.3116.6-167.1-173.3-77000111.6D171 L172 R173 Q236 V237D169-D171 VanDerWaalsContact C-N 3.25Å; D169-D171 PolarHBondContact O-N 2.62Å; D169-D171 PolarHBondContact OD1-N 2.89Å; D169-L172 HydrophobicContact CB-CB 4.12Å; D169-L172 HydrophobicContact CB-CD1 3.85Å; D169-L172 HydrophobicContact CB-CG 3.9Å; D169-L172 PolarHBondContact O-N 3.47Å; D169-L172 PolarHBondContact OD1-N 2.84Å; D169-R173 WeakPolarHBondContact O-CG 3.38Å; D169-R173 PolarHBondContact O-N 2.97Å; D169-Q236 HydrophobicContact CB-CB 4.47Å; D169-Q236 PolarHBondContact OD2-NE2 3.12Å; D169-V237 PolarHBondContact N-O 2.89Å
170R98.2Very high97.9Very high130 Ų13056.4 Ų56.449%0.49129%0.287SS..Hα-helixtrans-52.6-40.6-177.3-175.9-168.268.1-158.5-7.4113.5N166 Y168 R173 K174N166-R170 PolarHBondContact OD1-N 3.39Å; Y168-R170 PolarHBondContact O-N 2.9Å; Y168-R170 VanDerWaalsContact O-N 3.13Å; R170-R173 PolarHBondContact O-N 2.94Å; R170-K174 WeakPolarHBondContact O-CG 3.47Å; R170-K174 PolarHBondContact O-N 2.81Å
171D98.1Very high97.9Very high86 Ų8657.4 Ų57.446%0.4630%0.296SS..Hα-helixtrans-79.6-34.7-172.1-60.5-23.6000110.1D169 R173 K174 L175D169-D171 VanDerWaalsContact C-N 3.25Å; D169-D171 PolarHBondContact O-N 2.62Å; D169-D171 PolarHBondContact OD1-N 2.89Å; D171-R173 VanDerWaalsContact C-N 3.34Å; D171-R173 PolarHBondContact O-N 3.36Å; D171-K174 PolarHBondContact O-N 2.89Å; D171-L175 WeakPolarHBondContact O-CB 3.39Å; D171-L175 PolarHBondContact O-N 2.96Å
172L98.5Very high98Very high13 Ų1353.7 Ų53.77%0.06828%0.281CS..Hα-helixtrans-60.7-40.9167-62.8-177.1000112.3I112 D169 L175 A176 Q236 F238 L284I112-L172 HydrophobicContact CG2-CD1 3.86Å; D169-L172 HydrophobicContact CB-CB 4.12Å; D169-L172 HydrophobicContact CB-CD1 3.85Å; D169-L172 HydrophobicContact CB-CG 3.9Å; D169-L172 PolarHBondContact O-N 3.47Å; D169-L172 PolarHBondContact OD1-N 2.84Å; L172-L175 PolarHBondContact O-N 2.9Å; L172-A176 WeakPolarHBondContact O-CB 3.34Å; L172-A176 PolarHBondContact O-N 3.12Å; L172-Q236 HydrophobicContact CD1-CB 4.2Å; L172-F238 HydrophobicContact CB-CB 4.07Å; L172-F238 HydrophobicContact CB-CD2 4.42Å; L172-F238 HydrophobicContact CD1-CB 3.91Å; L172-L284 HydrophobicContact CD2-CD2 3.42Å; L172-L284 VanDerWaalsContact CD2-CD2 3.42Å
173R98.7Very high98.1Very high42 Ų4255.1 Ų55.116%0.15829%0.287CS..Hα-helixtrans-63.3-45.1176.6-66.7-170.6-62.5119.3-9.7112.1I133 L134 Y168 D169 R170 D171 L175 A176 V177I133-R173 HydrophobicContact CG2-CB 3.96Å; I133-R173 HydrophobicContact CG2-CG 3.53Å; L134-R173 WeakPolarHBondContact O-CD 3.49Å; Y168-R173 PolarHBondContact O-NE 3.24Å; D169-R173 WeakPolarHBondContact O-CG 3.38Å; D169-R173 PolarHBondContact O-N 2.97Å; R170-R173 PolarHBondContact O-N 2.94Å; D171-R173 VanDerWaalsContact C-N 3.34Å; D171-R173 PolarHBondContact O-N 3.36Å; R173-L175 VanDerWaalsContact C-N 3.35Å; R173-A176 PolarHBondContact O-N 3.5Å; R173-V177 WeakPolarHBondContact O-CG2 3.29Å; R173-V177 PolarHBondContact O-N 3.03Å
174K98.6Very high98.1Very high126 Ų12654.4 Ų54.455%0.54829%0.288SS..Hα-helixtrans-59.8-46.3176.6-75176.6177.5-179.60111.3R170 D171 A176 V177 Q178R170-K174 WeakPolarHBondContact O-CG 3.47Å; R170-K174 PolarHBondContact O-N 2.81Å; D171-K174 PolarHBondContact O-N 2.89Å; K174-A176 VanDerWaalsContact C-N 3.32Å; K174-A176 PolarHBondContact O-N 3.36Å; K174-V177 PolarHBondContact O-N 2.69Å; K174-Q178 PolarHBondContact O-N 3.4Å
175L98.6Very high98.2Very high27 Ų2752.9 Ų52.914%0.14128%0.279CS..Hα-helixtrans-59.1-44.6176.8178.260.7000111.4D171 L172 R173 V177 Q178 V179 I280 K283 L284D171-L175 WeakPolarHBondContact O-CB 3.39Å; D171-L175 PolarHBondContact O-N 2.96Å; L172-L175 PolarHBondContact O-N 2.9Å; R173-L175 VanDerWaalsContact C-N 3.35Å; L175-V177 PolarHBondContact O-N 2.93Å; L175-Q178 PolarHBondContact O-N 3Å; L175-V179 HydrophobicContact CD1-CG2 4.1Å; L175-V179 HydrophobicContact CG-CG2 4.42Å; L175-V179 VanDerWaalsContact O-CG2 3.3Å; L175-V179 WeakPolarHBondContact O-CG2 3.26Å; L175-V179 PolarHBondContact O-N 3.3Å; L175-I280 HydrophobicContact CD2-CG2 4.19Å; L175-K283 HydrophobicContact CD1-CB 3.78Å; L175-K283 HydrophobicContact CD1-CD 4.18Å; L175-K283 HydrophobicContact CD2-CB 4.23Å; L175-L284 HydrophobicContact CD2-CD2 3.98Å
176A98.7Very high98.4Very high0 Ų048.2 Ų48.20%025%0.25CS..Hα-helixtrans-61.9-42.6179.300000112.9I133 L172 R173 K174 V179 A180 F238 W276 I280I133-A176 HydrophobicContact CD1-CB 3.87Å; L172-A176 WeakPolarHBondContact O-CB 3.34Å; L172-A176 PolarHBondContact O-N 3.12Å; R173-A176 PolarHBondContact O-N 3.5Å; K174-A176 VanDerWaalsContact C-N 3.32Å; K174-A176 PolarHBondContact O-N 3.36Å; A176-V179 PolarHBondContact O-N 2.92Å; A176-A180 PolarHBondContact O-N 2.92Å; A176-F238 HydrophobicContact CB-CD2 4.25Å; A176-F238 HydrophobicContact CB-CE2 3.33Å; A176-F238 HydrophobicContact CB-CZ 3.53Å; A176-W276 HydrophobicContact CB-CZ2 3.89Å; A176-W276 WeakPolarHBondContact O-CZ2 3.31Å; A176-W276 PolarHBondContact O-NE1 3.49Å; A176-I280 HydrophobicContact CB-CD1 3.68Å; A176-I280 HydrophobicContact CB-CG1 4.21Å
177V98.8Very high98.4Very high31 Ų3151.1 Ų51.119%0.18827%0.266CS..Hα-helixtrans-60.7-50.5174.1173.30000110.7I133 R173 K174 L175 V179 A180 E181 Q191I133-V177 HydrophobicContact CD1-CG2 3.6Å; R173-V177 WeakPolarHBondContact O-CG2 3.29Å; R173-V177 PolarHBondContact O-N 3.03Å; K174-V177 PolarHBondContact O-N 2.69Å; L175-V177 PolarHBondContact O-N 2.93Å; V177-V179 VanDerWaalsContact C-N 3.32Å; V177-V179 PolarHBondContact O-N 3.29Å; V177-A180 WeakPolarHBondContact O-CB 3.41Å; V177-A180 PolarHBondContact O-N 3.01Å; V177-A180 VanDerWaalsContact O-N 3.07Å; V177-E181 HydrophobicContact CG1-CG 4.5Å; V177-E181 WeakPolarHBondContact O-CG 3.39Å; V177-E181 PolarHBondContact O-N 3.28Å; V177-Q191 HydrophobicContact CG2-CG 4.32Å
178Q98.7Very high98.4Very high88 Ų8852.4 Ų52.441%0.41127%0.272SS..Hα-helixtrans-56-46.9178.6178.2-175.5-11.700111.6K174 L175 A180 E181 E182K174-Q178 PolarHBondContact O-N 3.4Å; L175-Q178 PolarHBondContact O-N 3Å; Q178-A180 VanDerWaalsContact C-N 3.29Å; Q178-A180 PolarHBondContact O-N 2.9Å; Q178-E181 PolarHBondContact O-N 3.06Å; Q178-E182 HydrophobicContact CG-CG 4.31Å; Q178-E182 WeakPolarHBondContact CG-OE1 3.23Å; Q178-E182 PolarHBondContact NE2-OE1 3.31Å; Q178-E182 WeakPolarHBondContact O-CB 3Å; Q178-E182 VanDerWaalsContact O-CG 3.31Å; Q178-E182 WeakPolarHBondContact O-CG 3.24Å; Q178-E182 PolarHBondContact O-N 3.28Å
179V98.7Very high98.4Very high0 Ų053.2 Ų53.20%028%0.277CS..Hα-helixtrans-62-37.7178.61720000111.3L175 A176 V177 N183 K279 I280 K283L175-V179 HydrophobicContact CD1-CG2 4.1Å; L175-V179 HydrophobicContact CG-CG2 4.42Å; L175-V179 VanDerWaalsContact O-CG2 3.3Å; L175-V179 WeakPolarHBondContact O-CG2 3.26Å; L175-V179 PolarHBondContact O-N 3.3Å; A176-V179 PolarHBondContact O-N 2.92Å; V177-V179 VanDerWaalsContact C-N 3.32Å; V177-V179 PolarHBondContact O-N 3.29Å; V179-N183 WeakPolarHBondContact O-CB 3.29Å; V179-N183 PolarHBondContact O-N 3.35Å; V179-N183 PolarHBondContact O-ND2 3.44Å; V179-K279 HydrophobicContact CG1-CB 3.44Å; V179-K279 VanDerWaalsContact CG1-CB 3.44Å; V179-K279 HydrophobicContact CG1-CD 4.43Å; V179-I280 HydrophobicContact CB-CG1 4.29Å; V179-I280 HydrophobicContact CG1-CG1 4.33Å; V179-I280 HydrophobicContact CG2-CG1 4.35Å; V179-K283 HydrophobicContact CG2-CD 3.96Å
180A98.7Very high98.4Very high0 Ų055.4 Ų55.40%029%0.287CS..Hα-helixtrans-66.7-41.2177.600000112.5A176 V177 Q178 N183 G184 F185 G186 V189 W276A176-A180 PolarHBondContact O-N 2.92Å; V177-A180 WeakPolarHBondContact O-CB 3.41Å; V177-A180 PolarHBondContact O-N 3.01Å; V177-A180 VanDerWaalsContact O-N 3.07Å; Q178-A180 VanDerWaalsContact C-N 3.29Å; Q178-A180 PolarHBondContact O-N 2.9Å; A180-N183 PolarHBondContact O-N 3.47Å; A180-G184 PolarHBondContact O-N 2.91Å; A180-F185 HydrophobicContact CB-CD2 3.95Å; A180-F185 HydrophobicContact CB-CE2 3.52Å; A180-F185 HydrophobicContact CB-CZ 3.9Å; A180-F185 PolarHBondContact O-N 3.35Å; A180-F185 VanDerWaalsContact O-N 3.1Å; A180-G186 PolarHBondContact O-N 3.16Å; A180-G186 VanDerWaalsContact O-N 3.13Å; A180-V189 HydrophobicContact CB-CB 4.16Å; A180-V189 HydrophobicContact CB-CG1 4.46Å; A180-V189 HydrophobicContact CB-CG2 3.62Å; A180-W276 HydrophobicContact CB-CZ2 4.16Å
181E98.5Very high98.4Very high129 Ų12953.3 Ų53.360%0.60328%0.283SS*.Hα-helixtrans-64.1-49.9176.3-69.6175.9171.100111.8V177 Q178 N183 G184V177-E181 HydrophobicContact CG1-CG 4.5Å; V177-E181 WeakPolarHBondContact O-CG 3.39Å; V177-E181 PolarHBondContact O-N 3.28Å; Q178-E181 PolarHBondContact O-N 3.06Å; E181-N183 PolarHBondContact O-N 3.33Å; E181-N183 VanDerWaalsContact O-N 3.08Å; E181-G184 PolarHBondContact O-N 2.62Å; E181-G184 VanDerWaalsContact O-N 3.07Å
182E98.4Very high98.4Very high95 Ų9549.2 Ų49.244%0.44426%0.261SS..Hα-helixtrans-59.1-23.4179-73.6173.6172.400113.4Q178 K283Q178-E182 HydrophobicContact CG-CG 4.31Å; Q178-E182 WeakPolarHBondContact CG-OE1 3.23Å; Q178-E182 PolarHBondContact NE2-OE1 3.31Å; Q178-E182 WeakPolarHBondContact O-CB 3Å; Q178-E182 VanDerWaalsContact O-CG 3.31Å; Q178-E182 WeakPolarHBondContact O-CG 3.24Å; Q178-E182 PolarHBondContact O-N 3.28Å; E182-K283 VanDerWaalsContact CD-NZ 3.29Å; E182-K283 IonicContact OE1-NZ 3.1Å; E182-K283 PolarHBondContact OE1-NZ 3.19Å; E182-K283 VanDerWaalsContact OE1-NZ 3.16Å; E182-K283 WeakPolarHBondContact OE2-CE 3.43Å; E182-K283 IonicContact OE2-NZ 3.16Å; E182-K283 PolarHBondContact OE2-NZ 3.01Å
183N98.2Very high98.5Very high64 Ų6449.8 Ų49.834%0.34227%0.265SS..THydrogen-bonded Turntrans-10812.6-177.7-69.1-83.5000113.3V179 A180 E181 F185 K279V179-N183 WeakPolarHBondContact O-CB 3.29Å; V179-N183 PolarHBondContact O-N 3.35Å; V179-N183 PolarHBondContact O-ND2 3.44Å; A180-N183 PolarHBondContact O-N 3.47Å; E181-N183 PolarHBondContact O-N 3.33Å; E181-N183 VanDerWaalsContact O-N 3.08Å; N183-F185 HydrophobicContact CB-CD1 3.89Å; N183-F185 HydrophobicContact CB-CE1 3.56Å; N183-F185 PolarHBondContact O-N 3.45Å; N183-K279 WeakPolarHBondContact OD1-CD 3.34Å; N183-K279 WeakPolarHBondContact OD1-CE 3.43Å; N183-K279 PolarHBondContact OD1-NZ 3.02Å
184G97.8Very high98.5Very high66 Ų6647.8 Ų47.868%0.6826%0.258SS*.THydrogen-bonded Turntrans76.917.3166.700000115.8A180 E181A180-G184 PolarHBondContact O-N 2.91Å; E181-G184 PolarHBondContact O-N 2.62Å; E181-G184 VanDerWaalsContact O-N 3.07Å
185F98.1Very high98.5Very high15 Ų1541.8 Ų41.87%0.06623%0.232CC..  trans-125.915.7177.167.2-91000113.6A180 N183 N187 L188 V189 L272 W276A180-F185 HydrophobicContact CB-CD2 3.95Å; A180-F185 HydrophobicContact CB-CE2 3.52Å; A180-F185 HydrophobicContact CB-CZ 3.9Å; A180-F185 PolarHBondContact O-N 3.35Å; A180-F185 VanDerWaalsContact O-N 3.1Å; N183-F185 HydrophobicContact CB-CD1 3.89Å; N183-F185 HydrophobicContact CB-CE1 3.56Å; N183-F185 PolarHBondContact O-N 3.45Å; F185-N187 PolarHBondContact O-N 2.79Å; F185-N187 VanDerWaalsContact O-N 3.09Å; F185-L188 HydrophobicContact CB-CD1 4.3Å; F185-L188 WeakPolarHBondContact O-CB 3.42Å; F185-L188 PolarHBondContact O-N 2.68Å; F185-V189 HydrophobicContact CD2-CG2 3.96Å; F185-V189 HydrophobicContact CE2-CG2 3.99Å; F185-L272 HydrophobicContact CD1-CD1 3.81Å; F185-L272 HydrophobicContact CD2-CD1 4.25Å; F185-L272 HydrophobicContact CD2-CD2 4.4Å; F185-L272 HydrophobicContact CE1-CD1 3.95Å; F185-L272 HydrophobicContact CE2-CD1 4.4Å; F185-L272 HydrophobicContact CG-CD1 3.97Å; F185-L272 HydrophobicContact CG-CD2 4.44Å; F185-L272 HydrophobicContact CZ-CD1 4.25Å; F185-W276 HydrophobicContact CE2-CB 4.29Å; F185-W276 AromaticContact CE2-CD2 3.86Å; F185-W276 HydrophobicContact CE2-CD2 3.86Å; F185-W276 HydrophobicContact CE2-CE3 4.24Å; F185-W276 AromaticContact CE2-CG 3.89Å; F185-W276 HydrophobicContact CE2-CG 3.89Å; F185-W276 HydrophobicContact CZ-CB 3.77Å; F185-W276 AromaticContact CZ-CD1 3.66Å; F185-W276 HydrophobicContact CZ-CD2 4.04Å; F185-W276 AromaticContact CZ-CG 3.55Å; F185-W276 HydrophobicContact CZ-CG 3.55Å
186G98.2Very high98.4Very high24 Ų2440.6 Ų40.625%0.24723%0.225CC..G310 helixtrans-56-25.717800000114.1A180 L188 V189A180-G186 PolarHBondContact O-N 3.16Å; A180-G186 VanDerWaalsContact O-N 3.13Å; G186-L188 PolarHBondContact O-N 3.14Å; G186-V189 PolarHBondContact O-N 2.9Å; G186-V189 VanDerWaalsContact O-N 3.07Å
187N97.9Very high98.3Very high123 Ų12341.6 Ų41.666%0.65823%0.231SC*.G310 helixtrans-67.2-14.5174.967.8-64.3000114.4F185F185-N187 PolarHBondContact O-N 2.79Å; F185-N187 VanDerWaalsContact O-N 3.09Å
188L97.9Very high98Very high28 Ų2841.9 Ų41.915%0.14724%0.24CC..G310 helixtrans-95.2-4.9174.3-57.9179000112.3F131 F185 G186 L272F131-L188 PolarHBondContact N-O 3.35Å; F185-L188 HydrophobicContact CB-CD1 4.3Å; F185-L188 WeakPolarHBondContact O-CB 3.42Å; F185-L188 PolarHBondContact O-N 2.68Å; G186-L188 PolarHBondContact O-N 3.14Å; L188-L272 HydrophobicContact CD1-CD2 4.01Å
189V98.6Very high97.7Very high19 Ų1939 Ų3912%0.11523%0.234CC..EExtended strand (participates in β ladder)trans-110.9119.5-171.1177.90000110.3F131 I133 A180 F185 G186 W276F131-V189 HydrophobicContact CB-CG2 4.36Å; F131-V189 HydrophobicContact CD2-CG2 4.36Å; F131-V189 WeakPolarHBondContact O-CA 3.41Å; I133-V189 HydrophobicContact CD1-CG1 3.59Å; I133-V189 HydrophobicContact CG1-CG1 4.01Å; A180-V189 HydrophobicContact CB-CB 4.16Å; A180-V189 HydrophobicContact CB-CG1 4.46Å; A180-V189 HydrophobicContact CB-CG2 3.62Å; F185-V189 HydrophobicContact CD2-CG2 3.96Å; F185-V189 HydrophobicContact CE2-CG2 3.99Å; G186-V189 PolarHBondContact O-N 2.9Å; G186-V189 VanDerWaalsContact O-N 3.07Å; V189-W276 HydrophobicContact CB-CH2 4.34Å; V189-W276 HydrophobicContact CG1-CH2 3.61Å; V189-W276 HydrophobicContact CG1-CZ2 3.85Å; V189-W276 HydrophobicContact CG2-CH2 3.73Å; V189-W276 HydrophobicContact CG2-CZ2 4.01Å; V189-W276 HydrophobicContact CG2-CZ3 4.12Å
190H98.7Very high97.5Very high58 Ų5843.1 Ų43.127%0.26926%0.261SS..EExtended strand (participates in β ladder)trans-117.5169.5179-54-85.9000110.6L126 D130 F131 V132 I133L126-H190 HydrophobicContact CD2-CB 3.98Å; D130-H190 IonicContact OD2-CD2 3.92Å; D130-H190 IonicContact OD2-NE2 3.35Å; D130-H190 PolarHBondContact OD2-NE2 3.12Å; F131-H190 PolarHBondContact O-N 3.42Å; V132-H190 HydrophobicContact CG2-CB 4.4Å; I133-H190 PolarHBondContact N-O 3.34Å
191Q98.7Very high97.4Very high85 Ų8547.9 Ų47.940%0.39729%0.293SS..EExtended strand (participates in β ladder)trans-126.1126.5172.2-61.8-171.864.900110.2I133 K135 V177I133-Q191 HydrophobicContact CB-CG 4.2Å; I133-Q191 VanDerWaalsContact O-CA 3.3Å; I133-Q191 WeakPolarHBondContact O-CA 3.11Å; K135-Q191 HydrophobicContact CD-CB 4.46Å; V177-Q191 HydrophobicContact CG2-CG 4.32Å
192G98.6Very high97.2Very high0 Ų045.6 Ų45.60%028%0.279CS..EExtended strand (participates in β ladder)trans-150.8168.5-17000000115.3I133 L134 K135 D217I133-G192 PolarHBondContact O-N 3.32Å; L134-G192 WeakPolarHBondContact CA-O 3.47Å; K135-G192 PolarHBondContact N-O 3.08Å; G192-D217 WeakPolarHBondContact CA-OD2 3.49Å
193V98.8Very high97.2Very high26 Ų2642.2 Ų42.216%0.15826%0.264CS..EExtended strand (participates in β ladder)trans-89.3126.8174.7-178.50000109.2K135 D136 I138 D217 V218K135-V193 HydrophobicContact CG-CG2 4.47Å; D136-V193 HydrophobicContact CB-CG2 4.27Å; D136-V193 WeakPolarHBondContact O-CA 3.48Å; I138-V193 HydrophobicContact CG1-CG1 4.31Å; V193-D217 PolarHBondContact N-OD2 3.25Å; V193-D217 PolarHBondContact O-N 2.63Å; V193-V218 PolarHBondContact O-N 2.78Å
194Y98.8Very high97.1Very high0 Ų042.5 Ų42.50%027%0.268CS..EExtended strand (participates in β ladder)trans-94.6136.3176.2-179.6-101.1000111.4A119 L134 D136 H137 I138 M196 V218 G220 M221 S222 I224A119-Y194 HydrophobicContact CB-CE2 4.16Å; L134-Y194 HydrophobicContact CD1-CD1 4.33Å; L134-Y194 HydrophobicContact CD1-CD2 4.23Å; L134-Y194 HydrophobicContact CD1-CG 3.83Å; L134-Y194 HydrophobicContact CD2-CD2 4.34Å; L134-Y194 HydrophobicContact CD2-CG 4.34Å; D136-Y194 PolarHBondContact O-N 3.45Å; H137-Y194 CarbonylContact C-O 3.52Å; H137-Y194 WeakPolarHBondContact CA-O 3.2Å; H137-Y194 VanDerWaalsContact CB-O 3.24Å; H137-Y194 WeakPolarHBondContact CB-O 3.3Å; I138-Y194 PolarHBondContact N-O 3.22Å; Y194-M196 HydrophobicContact CE1-CB 4.05Å; Y194-V218 CarbonylContact C-O 3.55Å; Y194-V218 WeakPolarHBondContact CA-O 3.32Å; Y194-V218 HydrophobicContact CD2-CB 4.41Å; Y194-V218 HydrophobicContact CD2-CG2 3.83Å; Y194-G220 WeakPolarHBondContact OH-CA 3.37Å; Y194-G220 PolarHBondContact OH-N 3.27Å; Y194-M221 PolarHBondContact OH-N 3.1Å; Y194-S222 WeakPolarHBondContact CE1-O 3.28Å; Y194-S222 PolarHBondContact OH-N 3.39Å; Y194-S222 PolarHBondContact OH-O 2.94Å; Y194-I224 HydrophobicContact CD1-CD1 3.93Å; Y194-I224 HydrophobicContact CD1-CG1 3.79Å; Y194-I224 HydrophobicContact CE1-CD1 4.21Å; Y194-I224 HydrophobicContact CE1-CG1 3.91Å
195V98.7Very high97.1Very high0 Ų041 Ų410%025%0.246CC..EExtended strand (participates in β ladder)trans-113.1133.3168.157.40000110.9L122 I138 L140 L211 C216 V218 V219 G220L122-V195 HydrophobicContact CD1-CG1 4Å; I138-V195 HydrophobicContact CB-CB 4.17Å; I138-V195 HydrophobicContact CB-CG2 3.96Å; I138-V195 HydrophobicContact CG2-CG2 4.17Å; I138-V195 WeakPolarHBondContact O-CA 3.28Å; L140-V195 HydrophobicContact CD1-CG2 3.82Å; L140-V195 HydrophobicContact CG-CG2 3.86Å; V195-L211 HydrophobicContact CB-CD2 4.43Å; V195-L211 HydrophobicContact CG1-CB 4.26Å; V195-L211 HydrophobicContact CG1-CD1 3.87Å; V195-L211 HydrophobicContact CG1-CD2 4.01Å; V195-L211 HydrophobicContact CG1-CG 4.26Å; V195-L211 HydrophobicContact CG2-CD2 3.79Å; V195-C216 HydrophobicContact CB-CB 4.15Å; V195-C216 HydrophobicContact CG1-CB 3.71Å; V195-V218 PolarHBondContact N-O 3.27Å; V195-V219 HydrophobicContact CG1-CB 3.74Å; V195-V219 HydrophobicContact CG1-CG2 3.87Å; V195-V219 VanDerWaalsContact O-CA 3.32Å; V195-V219 WeakPolarHBondContact O-CA 3.37Å; V195-G220 PolarHBondContact O-N 3.21Å
196M98.1Very high97.1Very high2 Ų243.8 Ų43.81%0.0127%0.272CS..EExtended strand (participates in β ladder)trans-96.8124.1170.5-178-178.1170.100109.9M89 I138 Y139 L140 P141 Y194 G220 I224 P225M89-M196 HydrophobicContact SD-CE 4.17Å; I138-M196 PolarHBondContact O-N 3.31Å; Y139-M196 HydrophobicContact CD2-CB 4.33Å; Y139-M196 HydrophobicContact CD2-SD 3.88Å; Y139-M196 HydrophobicContact CE2-CE 4.34Å; Y139-M196 HydrophobicContact CE2-SD 3.55Å; Y139-M196 VanDerWaalsContact CE2-SD 3.55Å; L140-M196 WeakPolarHBondContact CB-O 3.42Å; L140-M196 PolarHBondContact N-O 3.37Å; P141-M196 WeakPolarHBondContact CD-O 3.48Å; P141-M196 HydrophobicContact CG-CE 4.36Å; Y194-M196 HydrophobicContact CE1-CB 4.05Å; M196-G220 CarbonylContact C-O 3.54Å; M196-G220 VanDerWaalsContact CA-O 3.26Å; M196-G220 WeakPolarHBondContact CA-O 3.43Å; M196-I224 HydrophobicContact CB-CB 4.4Å; M196-I224 HydrophobicContact CB-CD1 3.37Å; M196-I224 HydrophobicContact CB-CG1 3.92Å; M196-I224 HydrophobicContact SD-CB 4.13Å; M196-P225 HydrophobicContact CE-CG 3.9Å; M196-P225 WeakPolarHBondContact SD-CD 3.42Å; M196-P225 HydrophobicContact SD-CG 3.77Å
197N94.9Very high97.1Very high20 Ų2047 Ų4711%0.10728%0.28CS..  trans-97.1169.5159.770.870.3000110.8G199 E203 V219 G220 M221N197-G199 PolarHBondContact O-N 3.22Å; N197-G199 WeakPolarHBondContact OD1-CA 3.3Å; N197-G199 PolarHBondContact OD1-N 3.49Å; N197-E203 PolarHBondContact ND2-OE1 3.12Å; N197-V219 WeakPolarHBondContact ND2-CG2 3.44Å; N197-G220 PolarHBondContact N-O 3.28Å; N197-G220 PolarHBondContact ND2-O 2.93Å; N197-M221 WeakPolarHBondContact OD1-CG 3.38Å
198G92.6Very high97.1Very high38 Ų3841.2 Ų41.239%0.39225%0.249SC..  trans-74.4-19.4-175.900000115.3
199G93.6Very high97.1Very high28 Ų2842.2 Ų42.229%0.28926%0.257SS..  trans62.1-175.7-170.600000113.8N197 C201N197-G199 PolarHBondContact O-N 3.22Å; N197-G199 WeakPolarHBondContact OD1-CA 3.3Å; N197-G199 PolarHBondContact OD1-N 3.49Å; G199-C201 VanDerWaalsContact C-N 3.34Å
200P94.4Very high97.1Very high86 Ų8646 Ų4656%0.55827%0.274SS*.SBendcis-84.6-2.6-3.835.7-35.6000113.4Y90Y90-P200 HydrophobicContact CD2-CB 4.09Å; Y90-P200 HydrophobicContact CG-CB 4.08Å
201C95.8Very high97.1Very high99 Ų9943.4 Ų43.467%0.66926%0.263SS*.SBendtrans-69132179.4-620000110.5G199 M221G199-C201 VanDerWaalsContact C-N 3.34Å; C201-M221 WeakPolarHBondContact O-CE 3.45Å
202Y95.5Very high97.1Very high81 Ų8141.5 Ų41.532%0.31826%0.255SS..PPolyproline II helixtrans-59.1150.8157.7-66.4-82.5000109.3M221 P257 H259Y202-M221 HydrophobicContact CD1-CE 4.27Å; Y202-M221 HydrophobicContact CG-CE 4.45Å; Y202-P257 HydrophobicContact CD1-CB 3.88Å; Y202-P257 HydrophobicContact CD2-CB 4.39Å; Y202-P257 HydrophobicContact CE1-CB 4.05Å; Y202-P257 HydrophobicContact CG-CB 4.05Å; Y202-H259 PolarHBondContact OH-N 3.23Å
203E96.7Very high97.1Very high25 Ų2547.7 Ų47.712%0.11729%0.288CS..PPolyproline II helixtrans-74.3144.8-172.1-44.572.2-139.300110.3N197 E207 L211 V219N197-E203 PolarHBondContact ND2-OE1 3.12Å; E203-E207 HydrophobicContact CB-CB 3.91Å; E203-L211 HydrophobicContact CG-CD1 4.22Å; E203-V219 HydrophobicContact CG-CG2 4.02Å; E203-V219 WeakPolarHBondContact OE1-CG2 3.44Å; E203-V219 VanDerWaalsContact OE2-CG1 3.31Å; E203-V219 WeakPolarHBondContact OE2-CG1 3.39Å
204T97.1Very high97Very high70 Ų7050.8 Ų50.843%0.42930%0.302SS..PPolyproline II helixtrans-65.4161.517162.30000111A206 E207 C208T204-A206 PolarHBondContact O-N 3.08Å; T204-E207 WeakPolarHBondContact CB-OE2 3.49Å; T204-E207 WeakPolarHBondContact CG2-OE2 3.46Å; T204-E207 PolarHBondContact N-OE2 2.82Å; T204-E207 PolarHBondContact O-N 3.24Å; T204-E207 VanDerWaalsContact O-N 3.12Å; T204-E207 WeakPolarHBondContact OG1-CB 3.47Å; T204-E207 VanDerWaalsContact OG1-CD 3.26Å; T204-E207 VanDerWaalsContact OG1-CG 3.24Å; T204-E207 WeakPolarHBondContact OG1-CG 3.48Å; T204-E207 PolarHBondContact OG1-N 3.08Å; T204-E207 PolarHBondContact OG1-OE2 3.38Å; T204-C208 PolarHBondContact O-N 2.79Å; T204-C208 PolarHBondContact O-SG 3.47Å; T204-C208 VanDerWaalsContact O-SG 3.36Å
205P97.6Very high96.9Very high34 Ų3452.9 Ų52.922%0.22132%0.324CS..Hα-helixtrans-56.8-36.6175.3-28.336.5000114.3T209 V248P205-T209 VanDerWaalsContact O-CB 3.31Å; P205-T209 WeakPolarHBondContact O-CB 3.4Å; P205-T209 PolarHBondContact O-N 2.85Å; P205-T209 PolarHBondContact O-OG1 3.5Å; P205-V248 WeakPolarHBondContact CA-O 3.24Å; P205-V248 HydrophobicContact CG-CG1 4.04Å
206A98Very high96.9Very high74 Ų7453 Ų5361%0.61232%0.324SS*.Hα-helixtrans-66.6-43.2175.800000111.9T204 T209 M210T204-A206 PolarHBondContact O-N 3.08Å; A206-T209 PolarHBondContact O-N 3.37Å; A206-M210 WeakPolarHBondContact O-CB 3.12Å; A206-M210 PolarHBondContact O-N 3.02Å
207E97.9Very high97Very high91 Ų9154 Ų5443%0.42533%0.329SS..Hα-helixtrans-64.7-46.3174.7-72.2163.5153.800111.1E203 T204 T209 M210 L211E203-E207 HydrophobicContact CB-CB 3.91Å; T204-E207 WeakPolarHBondContact CB-OE2 3.49Å; T204-E207 WeakPolarHBondContact CG2-OE2 3.46Å; T204-E207 PolarHBondContact N-OE2 2.82Å; T204-E207 PolarHBondContact O-N 3.24Å; T204-E207 VanDerWaalsContact O-N 3.12Å; T204-E207 WeakPolarHBondContact OG1-CB 3.47Å; T204-E207 VanDerWaalsContact OG1-CD 3.26Å; T204-E207 VanDerWaalsContact OG1-CG 3.24Å; T204-E207 WeakPolarHBondContact OG1-CG 3.48Å; T204-E207 PolarHBondContact OG1-N 3.08Å; T204-E207 PolarHBondContact OG1-OE2 3.38Å; E207-T209 VanDerWaalsContact C-N 3.3Å; E207-T209 PolarHBondContact O-N 3.12Å; E207-M210 WeakPolarHBondContact O-CB 3.44Å; E207-M210 PolarHBondContact O-N 3.25Å; E207-L211 WeakPolarHBondContact O-CG 3.15Å; E207-L211 PolarHBondContact O-N 3.18Å
208C98.3Very high97.2Very high1 Ų153 Ų531%0.00732%0.324CS..Hα-helixtrans-57.5-43.9175.3-680000111.8L122 T204 L211 L212 V248 L249L122-C208 HydrophobicContact CD2-CB 3.89Å; T204-C208 PolarHBondContact O-N 2.79Å; T204-C208 PolarHBondContact O-SG 3.47Å; T204-C208 VanDerWaalsContact O-SG 3.36Å; C208-L211 PolarHBondContact O-N 3.37Å; C208-L212 WeakPolarHBondContact O-CB 3.25Å; C208-L212 PolarHBondContact O-N 2.81Å; C208-V248 VanDerWaalsContact CB-O 3.29Å; C208-V248 WeakPolarHBondContact CB-O 3.5Å; C208-V248 PolarHBondContact SG-O 3.1Å; C208-L249 HydrophobicContact CB-CD2 3.48Å; C208-L249 VanDerWaalsContact CB-CD2 3.48Å
209T98.2Very high97.4Very high50 Ų5051.3 Ų51.331%0.30731%0.306SS..Hα-helixtrans-63.8-43.2177.3-61.30000111.5P205 A206 E207 L212 N213P205-T209 VanDerWaalsContact O-CB 3.31Å; P205-T209 WeakPolarHBondContact O-CB 3.4Å; P205-T209 PolarHBondContact O-N 2.85Å; P205-T209 PolarHBondContact O-OG1 3.5Å; A206-T209 PolarHBondContact O-N 3.37Å; E207-T209 VanDerWaalsContact C-N 3.3Å; E207-T209 PolarHBondContact O-N 3.12Å; T209-L212 PolarHBondContact O-N 2.97Å; T209-N213 WeakPolarHBondContact O-CB 3.26Å; T209-N213 PolarHBondContact O-N 3.48Å; T209-N213 PolarHBondContact O-ND2 2.96Å
210M98.4Very high97.6Very high97 Ų9750.3 Ų50.348%0.47830%0.296SS..Hα-helixtrans-57.9-49.7173.7177.3-173.473.100111.1A206 E207 L212 N213 M214A206-M210 WeakPolarHBondContact O-CB 3.12Å; A206-M210 PolarHBondContact O-N 3.02Å; E207-M210 WeakPolarHBondContact O-CB 3.44Å; E207-M210 PolarHBondContact O-N 3.25Å; M210-L212 PolarHBondContact O-N 3.41Å; M210-N213 PolarHBondContact O-N 2.95Å; M210-M214 HydrophobicContact CG-SD 4.1Å; M210-M214 WeakPolarHBondContact O-CG 3.39Å; M210-M214 PolarHBondContact O-N 2.58Å
211L98.4Very high97.7Very high4 Ų447.7 Ų47.72%0.02128%0.277CS..Hα-helixtrans-63.1-41.7-178.8-66.3177.5000112.3L122 L140 V195 E203 E207 C208 M214 C216 V219L122-L211 HydrophobicContact CD1-CB 3.67Å; L122-L211 HydrophobicContact CD1-CD1 4.47Å; L122-L211 HydrophobicContact CD2-CB 4.3Å; L140-L211 HydrophobicContact CD1-CD2 4.05Å; V195-L211 HydrophobicContact CB-CD2 4.43Å; V195-L211 HydrophobicContact CG1-CB 4.26Å; V195-L211 HydrophobicContact CG1-CD1 3.87Å; V195-L211 HydrophobicContact CG1-CD2 4.01Å; V195-L211 HydrophobicContact CG1-CG 4.26Å; V195-L211 HydrophobicContact CG2-CD2 3.79Å; E203-L211 HydrophobicContact CG-CD1 4.22Å; E207-L211 WeakPolarHBondContact O-CG 3.15Å; E207-L211 PolarHBondContact O-N 3.18Å; C208-L211 PolarHBondContact O-N 3.37Å; L211-M214 HydrophobicContact CD2-SD 4.41Å; L211-M214 WeakPolarHBondContact O-CB 3.46Å; L211-M214 PolarHBondContact O-N 3.49Å; L211-C216 VanDerWaalsContact O-CB 3.26Å; L211-C216 WeakPolarHBondContact O-CB 3.18Å; L211-C216 PolarHBondContact O-N 2.99Å; L211-C216 VanDerWaalsContact O-N 3.12Å; L211-V219 HydrophobicContact CD1-CB 4.34Å; L211-V219 HydrophobicContact CD1-CG2 3.91Å
212L98.2Very high97.7Very high46 Ų4643.5 Ų43.524%0.24125%0.248CC..Hα-helixtrans-60.6-45.4173.6179.360.3000111.2L122 C208 T209 M210 M214 G215 L249L122-L212 HydrophobicContact CB-CB 4.48Å; L122-L212 HydrophobicContact CB-CD1 4.38Å; C208-L212 WeakPolarHBondContact O-CB 3.25Å; C208-L212 PolarHBondContact O-N 2.81Å; T209-L212 PolarHBondContact O-N 2.97Å; M210-L212 PolarHBondContact O-N 3.41Å; L212-M214 PolarHBondContact O-N 2.9Å; L212-G215 WeakPolarHBondContact O-CA 3.16Å; L212-G215 PolarHBondContact O-N 2.9Å; L212-L249 HydrophobicContact CD2-CD1 3.68Å
213N98.1Very high97.8Very high129 Ų12939.6 Ų39.669%0.6923%0.233SC*.Hα-helixtrans-66.6-24.9178-71.2-19.5000113.1T209 M210 G215T209-N213 WeakPolarHBondContact O-CB 3.26Å; T209-N213 PolarHBondContact O-N 3.48Å; T209-N213 PolarHBondContact O-ND2 2.96Å; M210-N213 PolarHBondContact O-N 2.95Å; N213-G215 PolarHBondContact O-N 2.91Å
214M97.3Very high97.9Very high92 Ų9238.4 Ų38.445%0.45323%0.228SC..THydrogen-bonded Turntrans-74.90.1169.9-69.4173.96700113.1I138 M210 L211 L212I138-M214 HydrophobicContact CD1-CB 4.34Å; I138-M214 HydrophobicContact CD1-CE 3.84Å; I138-M214 HydrophobicContact CG2-CE 4.32Å; M210-M214 HydrophobicContact CG-SD 4.1Å; M210-M214 WeakPolarHBondContact O-CG 3.39Å; M210-M214 PolarHBondContact O-N 2.58Å; L211-M214 HydrophobicContact CD2-SD 4.41Å; L211-M214 WeakPolarHBondContact O-CB 3.46Å; L211-M214 PolarHBondContact O-N 3.49Å; L212-M214 PolarHBondContact O-N 2.9Å
215G97.8Very high97.9Very high44 Ų4435.2 Ų35.245%0.45421%0.208SC..THydrogen-bonded Turntrans83.420.7179.300000114.2L212 N213L212-G215 WeakPolarHBondContact O-CA 3.16Å; L212-G215 PolarHBondContact O-N 2.9Å; N213-G215 PolarHBondContact O-N 2.91Å
216C98.6Very high98Very high1 Ų133.9 Ų33.91%0.00720%0.199CC..  trans-84139.1174.9-56.60000111L122 I138 V195 L211L122-C216 HydrophobicContact CD1-CB 3.7Å; I138-C216 VanDerWaalsContact CD1-SG 3.52Å; V195-C216 HydrophobicContact CB-CB 4.15Å; V195-C216 HydrophobicContact CG1-CB 3.71Å; L211-C216 VanDerWaalsContact O-CB 3.26Å; L211-C216 WeakPolarHBondContact O-CB 3.18Å; L211-C216 PolarHBondContact O-N 2.99Å; L211-C216 VanDerWaalsContact O-N 3.12Å
217D98.8Very high98Very high23 Ų2330.4 Ų30.412%0.12317%0.17CC..SBendtrans-97.3-35.1-179.8-65.6-75.9000112.3L122 N123 L126 G192 V193L122-D217 WeakPolarHBondContact CB-O 3.34Å; L122-D217 PolarHBondContact N-O 2.88Å; N123-D217 HydrophobicContact CB-CB 4.23Å; N123-D217 PolarHBondContact N-O 3.31Å; N123-D217 VanDerWaalsContact N-O 3.09Å; N123-D217 PolarHBondContact ND2-OD1 3.19Å; L126-D217 HydrophobicContact CD1-CB 4.47Å; L126-D217 WeakPolarHBondContact CD1-O 3.31Å; G192-D217 WeakPolarHBondContact CA-OD2 3.49Å; V193-D217 PolarHBondContact N-OD2 3.25Å; V193-D217 PolarHBondContact O-N 2.63Å
218V98.8Very high98Very high0 Ų026.1 Ų26.10%015%0.15CC..EExtended strand (participates in β ladder)trans-140.4146.9-178.4-77.80000111.2A119 G120 L126 V132 L134 V193 Y194 V195 V243A119-V218 HydrophobicContact CB-CB 3.98Å; A119-V218 HydrophobicContact CB-CG1 4.37Å; G120-V218 CarbonylContact O-C 3.41Å; G120-V218 VanDerWaalsContact O-CA 3.24Å; G120-V218 WeakPolarHBondContact O-CA 3.46Å; L126-V218 HydrophobicContact CD1-CG1 3.83Å; V132-V218 HydrophobicContact CB-CG1 4.19Å; V132-V218 HydrophobicContact CB-CG2 4.3Å; V132-V218 HydrophobicContact CG1-CG2 4.07Å; V132-V218 HydrophobicContact CG2-CG1 3.74Å; L134-V218 HydrophobicContact CD2-CG2 4Å; V193-V218 PolarHBondContact O-N 2.78Å; Y194-V218 CarbonylContact C-O 3.55Å; Y194-V218 WeakPolarHBondContact CA-O 3.32Å; Y194-V218 HydrophobicContact CD2-CB 4.41Å; Y194-V218 HydrophobicContact CD2-CG2 3.83Å; V195-V218 PolarHBondContact N-O 3.27Å; V218-V243 HydrophobicContact CG1-CG2 4.05Å
219V98.6Very high98Very high2 Ų226 Ų261%0.01215%0.149CC..EExtended strand (participates in β ladder)trans-122.9144.7178.858.10000111.4A119 G120 L122 V195 N197 E203 L211A119-V219 CarbonylContact C-O 3.59Å; A119-V219 VanDerWaalsContact CA-O 3.28Å; A119-V219 WeakPolarHBondContact CA-O 3.21Å; A119-V219 WeakPolarHBondContact CB-O 3.32Å; G120-V219 PolarHBondContact N-O 2.92Å; G120-V219 PolarHBondContact O-N 2.84Å; L122-V219 HydrophobicContact CD1-CB 3.95Å; L122-V219 HydrophobicContact CD1-CG1 4.21Å; L122-V219 HydrophobicContact CD2-CG1 4.02Å; L122-V219 HydrophobicContact CG-CB 4.23Å; L122-V219 HydrophobicContact CG-CG1 3.93Å; V195-V219 HydrophobicContact CG1-CB 3.74Å; V195-V219 HydrophobicContact CG1-CG2 3.87Å; V195-V219 VanDerWaalsContact O-CA 3.32Å; V195-V219 WeakPolarHBondContact O-CA 3.37Å; N197-V219 WeakPolarHBondContact ND2-CG2 3.44Å; E203-V219 HydrophobicContact CG-CG2 4.02Å; E203-V219 WeakPolarHBondContact OE1-CG2 3.44Å; E203-V219 VanDerWaalsContact OE2-CG1 3.31Å; E203-V219 WeakPolarHBondContact OE2-CG1 3.39Å; L211-V219 HydrophobicContact CD1-CB 4.34Å; L211-V219 HydrophobicContact CD1-CG2 3.91Å
220G97.6Very high98Very high7 Ų723.7 Ų23.77%0.07214%0.135CC..EExtended strand (participates in β ladder)trans-162.5-164.716600000112.8Y194 V195 M196 N197Y194-G220 WeakPolarHBondContact OH-CA 3.37Å; Y194-G220 PolarHBondContact OH-N 3.27Å; V195-G220 PolarHBondContact O-N 3.21Å; M196-G220 CarbonylContact C-O 3.54Å; M196-G220 VanDerWaalsContact CA-O 3.26Å; M196-G220 WeakPolarHBondContact CA-O 3.43Å; N197-G220 PolarHBondContact N-O 3.28Å; N197-G220 PolarHBondContact ND2-O 2.93Å
221M96.1Very high98.1Very high31 Ų3121.6 Ų21.615%0.15312%0.122CC..SBendtrans-121.321-166.4-53.5174.3-173.500112.9Y90 Y194 N197 C201 Y202Y90-M221 HydrophobicContact CD1-CB 4Å; Y90-M221 HydrophobicContact CD1-SD 4.37Å; Y90-M221 HydrophobicContact CE1-CB 3.84Å; Y90-M221 HydrophobicContact CE1-SD 4.25Å; Y194-M221 PolarHBondContact OH-N 3.1Å; N197-M221 WeakPolarHBondContact OD1-CG 3.38Å; C201-M221 WeakPolarHBondContact O-CE 3.45Å; Y202-M221 HydrophobicContact CD1-CE 4.27Å; Y202-M221 HydrophobicContact CG-CE 4.45Å
222S95.9Very high98Very high11 Ų1121.7 Ų21.78%0.07712%0.122CC..SBendtrans-152.8-163.1-172.972.90000112.4R86 Y194 I224R86-S222 PolarHBondContact NH1-OG 3.49Å; Y194-S222 WeakPolarHBondContact CE1-O 3.28Å; Y194-S222 PolarHBondContact OH-N 3.39Å; Y194-S222 PolarHBondContact OH-O 2.94Å; S222-I224 VanDerWaalsContact C-N 3.26Å; S222-I224 PolarHBondContact O-N 3.12Å
223T97.7Very high98Very high0 Ų019.7 Ų19.70%011%0.112CC..SBendtrans78.4-52.4164-55.60000114.9R86 V115 N117 L134 P225 E226 V227 A239R86-T223 PolarHBondContact NH1-OG1 3.4Å; V115-T223 HydrophobicContact CG1-CG2 3.9Å; N117-T223 WeakPolarHBondContact CB-OG1 3.37Å; N117-T223 PolarHBondContact ND2-OG1 3.24Å; L134-T223 HydrophobicContact CD1-CG2 4.24Å; T223-P225 VanDerWaalsContact C-CD 3.47Å; T223-E226 VanDerWaalsContact C-OE2 3.22Å; T223-E226 WeakPolarHBondContact CA-OE2 3.49Å; T223-E226 PolarHBondContact N-OE2 2.92Å; T223-E226 PolarHBondContact O-N 3.47Å; T223-V227 HydrophobicContact CG2-CG2 4Å; T223-V227 WeakPolarHBondContact O-CG2 3.39Å; T223-V227 PolarHBondContact O-N 2.85Å; T223-A239 HydrophobicContact CG2-CB 4.48Å
224I98.2Very high98Very high0 Ų016.2 Ų16.20%011%0.107CC..Hα-helixtrans-60.4-43.2-176.2-58.9-179.1000112.5H137 I138 Y139 Y194 M196 S222 E226 V227 V228H137-I224 HydrophobicContact CB-CD1 3.62Å; H137-I224 HydrophobicContact CB-CG1 4Å; I138-I224 VanDerWaalsContact O-CD1 3.29Å; I138-I224 WeakPolarHBondContact O-CD1 3.27Å; Y139-I224 HydrophobicContact CD1-CG2 3.77Å; Y139-I224 HydrophobicContact CD2-CB 4Å; Y139-I224 HydrophobicContact CD2-CD1 4.15Å; Y139-I224 HydrophobicContact CD2-CG2 3.75Å; Y139-I224 HydrophobicContact CE1-CG2 4.38Å; Y139-I224 HydrophobicContact CE2-CB 4.46Å; Y139-I224 HydrophobicContact CE2-CG2 4.35Å; Y139-I224 HydrophobicContact CG-CB 4.23Å; Y139-I224 HydrophobicContact CG-CD1 4.32Å; Y139-I224 HydrophobicContact CG-CG2 3.46Å; Y139-I224 VanDerWaalsContact CG-CG2 3.46Å; Y194-I224 HydrophobicContact CD1-CD1 3.93Å; Y194-I224 HydrophobicContact CD1-CG1 3.79Å; Y194-I224 HydrophobicContact CE1-CD1 4.21Å; Y194-I224 HydrophobicContact CE1-CG1 3.91Å; M196-I224 HydrophobicContact CB-CB 4.4Å; M196-I224 HydrophobicContact CB-CD1 3.37Å; M196-I224 HydrophobicContact CB-CG1 3.92Å; M196-I224 HydrophobicContact SD-CB 4.13Å; S222-I224 VanDerWaalsContact C-N 3.26Å; S222-I224 PolarHBondContact O-N 3.12Å; I224-E226 VanDerWaalsContact C-N 3.3Å; I224-E226 PolarHBondContact O-N 3.19Å; I224-V227 WeakPolarHBondContact O-CB 3.38Å; I224-V227 PolarHBondContact O-N 3.33Å; I224-V227 VanDerWaalsContact O-N 3.13Å; I224-V228 HydrophobicContact CG2-CG2 3.91Å; I224-V228 WeakPolarHBondContact O-CG2 3.26Å; I224-V228 PolarHBondContact O-N 3.3Å
225P97.7Very high98.1Very high2 Ų211.9 Ų11.91%0.0139%0.085CC..Hα-helixtrans-61.4-41.3-179-19.531.7000111.5M89 V98 Y139 I148 M196 T223 V228 I229M89-P225 HydrophobicContact CE-CB 3.99Å; M89-P225 HydrophobicContact CE-CG 3.71Å; V98-P225 HydrophobicContact CG1-CB 3.88Å; Y139-P225 HydrophobicContact CE2-CG 4.21Å; I148-P225 HydrophobicContact CB-CB 4.14Å; I148-P225 HydrophobicContact CD1-CB 3.34Å; I148-P225 HydrophobicContact CG1-CB 4.27Å; I148-P225 HydrophobicContact CG2-CB 4.4Å; M196-P225 HydrophobicContact CE-CG 3.9Å; M196-P225 WeakPolarHBondContact SD-CD 3.42Å; M196-P225 HydrophobicContact SD-CG 3.77Å; T223-P225 VanDerWaalsContact C-CD 3.47Å; P225-V228 PolarHBondContact O-N 2.79Å; P225-I229 WeakPolarHBondContact O-CG1 3.43Å; P225-I229 PolarHBondContact O-N 2.66Å
226E98.3Very high98.1Very high7 Ų713.6 Ų13.63%0.0338%0.081CC..Hα-helixtrans-63.8-41.3174.7-59.396.8135.400112.2I32 R86 V98 I102 T223 I224 I229 A230I32-E226 HydrophobicContact CD1-CB 4.11Å; I32-E226 HydrophobicContact CD1-CG 4.1Å; R86-E226 WeakPolarHBondContact CD-OE1 3.32Å; R86-E226 IonicContact NE-OE1 2.62Å; V98-E226 HydrophobicContact CG1-CG 4.46Å; I102-E226 HydrophobicContact CD1-CB 3.92Å; I102-E226 HydrophobicContact CD1-CG 4.01Å; I102-E226 HydrophobicContact CG1-CB 3.93Å; I102-E226 HydrophobicContact CG1-CG 4.05Å; T223-E226 VanDerWaalsContact C-OE2 3.22Å; T223-E226 WeakPolarHBondContact CA-OE2 3.49Å; T223-E226 PolarHBondContact N-OE2 2.92Å; T223-E226 PolarHBondContact O-N 3.47Å; I224-E226 VanDerWaalsContact C-N 3.3Å; I224-E226 PolarHBondContact O-N 3.19Å; E226-I229 PolarHBondContact O-N 3.33Å; E226-A230 VanDerWaalsContact O-CB 3.28Å; E226-A230 WeakPolarHBondContact O-CB 3.46Å; E226-A230 PolarHBondContact O-N 3.03Å
227V98.7Very high98.1Very high0 Ų013.5 Ų13.50%08%0.081CC..Hα-helixtrans-60.3-49175.1174.10000110.2A167 Y168 T223 I224 I229 A230 R231 V237A167-V227 HydrophobicContact CB-CG1 4.02Å; Y168-V227 HydrophobicContact CE1-CG1 4.13Å; Y168-V227 HydrophobicContact CE1-CG2 3.8Å; T223-V227 HydrophobicContact CG2-CG2 4Å; T223-V227 WeakPolarHBondContact O-CG2 3.39Å; T223-V227 PolarHBondContact O-N 2.85Å; I224-V227 WeakPolarHBondContact O-CB 3.38Å; I224-V227 PolarHBondContact O-N 3.33Å; I224-V227 VanDerWaalsContact O-N 3.13Å; V227-I229 VanDerWaalsContact C-N 3.34Å; V227-I229 PolarHBondContact O-N 2.92Å; V227-A230 PolarHBondContact O-N 3.28Å; V227-R231 HydrophobicContact CG1-CG 4.28Å; V227-R231 VanDerWaalsContact O-CG 3.28Å; V227-R231 WeakPolarHBondContact O-CG 3.46Å; V227-R231 PolarHBondContact O-N 3.38Å; V227-V237 HydrophobicContact CG1-CG1 4.39Å; V227-V237 HydrophobicContact CG2-CG1 4.03Å
228V98.5Very high98.1Very high1 Ų112.5 Ų12.51%0.0068%0.075CC..Hα-helixtrans-60.1-44.4-179.3172.60000110.9Y139 I148 L149 L164 I224 P225 R231 H232Y139-V228 HydrophobicContact CD1-CG2 4.5Å; I148-V228 HydrophobicContact CG2-CB 3.82Å; I148-V228 HydrophobicContact CG2-CG1 3.63Å; L149-V228 HydrophobicContact CD1-CG1 3.67Å; L149-V228 HydrophobicContact CG-CG1 3.9Å; L164-V228 HydrophobicContact CD1-CG2 3.92Å; I224-V228 HydrophobicContact CG2-CG2 3.91Å; I224-V228 WeakPolarHBondContact O-CG2 3.26Å; I224-V228 PolarHBondContact O-N 3.3Å; P225-V228 PolarHBondContact O-N 2.79Å; V228-R231 PolarHBondContact O-N 2.8Å; V228-H232 WeakPolarHBondContact O-CB 3.5Å; V228-H232 PolarHBondContact O-N 2.93Å
229I98.4Very high98.1Very high0 Ų012.5 Ų12.50%08%0.075CC..Hα-helixtrans-66.6-41.6177.1-64-65.6000111.7A99 I102 R103 I148 L149 P225 E226 V227 R231 H232 C233A99-I229 HydrophobicContact CB-CD1 3.69Å; A99-I229 HydrophobicContact CB-CG1 3.74Å; A99-I229 HydrophobicContact CB-CG2 4.45Å; I102-I229 HydrophobicContact CB-CB 4.23Å; I102-I229 HydrophobicContact CB-CG2 3.68Å; I102-I229 HydrophobicContact CG2-CB 4.16Å; I102-I229 HydrophobicContact CG2-CG2 3.74Å; R103-I229 HydrophobicContact CG-CG2 3.81Å; I148-I229 HydrophobicContact CD1-CD1 4.26Å; I148-I229 HydrophobicContact CD1-CG1 3.7Å; I148-I229 HydrophobicContact CG1-CD1 4.06Å; I148-I229 HydrophobicContact CG1-CG1 4.04Å; I148-I229 HydrophobicContact CG2-CD1 3.97Å; I148-I229 HydrophobicContact CG2-CG1 3.96Å; L149-I229 HydrophobicContact CD2-CD1 3.58Å; L149-I229 HydrophobicContact CG-CD1 4.43Å; P225-I229 WeakPolarHBondContact O-CG1 3.43Å; P225-I229 PolarHBondContact O-N 2.66Å; E226-I229 PolarHBondContact O-N 3.33Å; V227-I229 VanDerWaalsContact C-N 3.34Å; V227-I229 PolarHBondContact O-N 2.92Å; I229-R231 PolarHBondContact O-N 3.34Å; I229-H232 WeakPolarHBondContact O-CB 3.42Å; I229-H232 PolarHBondContact O-N 2.82Å; I229-C233 WeakPolarHBondContact O-CB 3.31Å; I229-C233 PolarHBondContact O-N 2.76Å; I229-C233 PolarHBondContact O-SG 2.93Å
230A98.7Very high98.1Very high0 Ų012.4 Ų12.40%08%0.075CC..Hα-helixtrans-59.4-47.5176.500000110.8I102 L113 E226 V227 C233 G234 I235 V237I102-A230 HydrophobicContact CG2-CB 3.9Å; L113-A230 HydrophobicContact CB-CB 4.49Å; L113-A230 HydrophobicContact CD2-CB 3.72Å; E226-A230 VanDerWaalsContact O-CB 3.28Å; E226-A230 WeakPolarHBondContact O-CB 3.46Å; E226-A230 PolarHBondContact O-N 3.03Å; V227-A230 PolarHBondContact O-N 3.28Å; A230-C233 CarbonylContact O-C 3.56Å; A230-C233 PolarHBondContact O-N 3.23Å; A230-C233 VanDerWaalsContact O-N 3.17Å; A230-G234 PolarHBondContact O-N 3.07Å; A230-G234 VanDerWaalsContact O-N 3.16Å; A230-I235 HydrophobicContact CB-CB 4.02Å; A230-I235 HydrophobicContact CB-CG2 4.15Å; A230-I235 WeakPolarHBondContact O-CB 3.44Å; A230-I235 PolarHBondContact O-N 3.06Å; A230-V237 HydrophobicContact CB-CG2 3.58Å
231R98.6Very high98.1Very high53 Ų5312.1 Ų12.120%0.27%0.071CC..Hα-helixtrans-66.4-39.8177.5-61.7-51.7-69.3161.3-11.2112.7L164 N166 A167 V227 V228 I229 C233 G234 I235 V237L164-R231 HydrophobicContact CD2-CB 3.9Å; L164-R231 HydrophobicContact CD2-CG 4.16Å; N166-R231 PolarHBondContact O-NE 2.75Å; N166-R231 PolarHBondContact O-NH2 3.29Å; N166-R231 VanDerWaalsContact O-NH2 3.07Å; A167-R231 HydrophobicContact CB-CG 4.22Å; A167-R231 VanDerWaalsContact O-CD 3.29Å; A167-R231 WeakPolarHBondContact O-CD 2.97Å; V227-R231 HydrophobicContact CG1-CG 4.28Å; V227-R231 VanDerWaalsContact O-CG 3.28Å; V227-R231 WeakPolarHBondContact O-CG 3.46Å; V227-R231 PolarHBondContact O-N 3.38Å; V228-R231 PolarHBondContact O-N 2.8Å; I229-R231 PolarHBondContact O-N 3.34Å; R231-C233 PolarHBondContact O-N 3.41Å; R231-G234 PolarHBondContact O-N 3.4Å; R231-I235 WeakPolarHBondContact CD-O 3.47Å; R231-I235 PolarHBondContact NH1-O 2.89Å; R231-V237 HydrophobicContact CG-CG2 4.25Å
232H98.3Very high98.2Very high7 Ų710.6 Ų10.63%0.0326%0.064CC..Hα-helixtrans-54.4-41.6171.4179.4-118.3000111.1L149 N153 G158 T159 V228 I229 G234L149-H232 HydrophobicContact CD1-CB 4.18Å; L149-H232 HydrophobicContact CD2-CB 4.27Å; N153-H232 PolarHBondContact OD1-NE2 2.91Å; G158-H232 WeakPolarHBondContact CA-O 3.37Å; G158-H232 PolarHBondContact O-NE2 3.24Å; T159-H232 PolarHBondContact O-CD2 3.35Å; T159-H232 PolarHBondContact O-NE2 2.9Å; T159-H232 VanDerWaalsContact O-NE2 3.11Å; V228-H232 WeakPolarHBondContact O-CB 3.5Å; V228-H232 PolarHBondContact O-N 2.93Å; I229-H232 WeakPolarHBondContact O-CB 3.42Å; I229-H232 PolarHBondContact O-N 2.82Å; H232-G234 VanDerWaalsContact C-N 3.3Å; H232-G234 PolarHBondContact O-N 2.95Å
233C97.5Very high98.3Very high4 Ų410.1 Ų10.13%0.0276%0.061CC..THydrogen-bonded Turntrans-83.66.3178.3-57.90000114.7K106 F157 I229 A230 R231 I235K106-C233 HydrophobicContact CB-CB 4.17Å; K106-C233 HydrophobicContact CD-CB 3.99Å; K106-C233 WeakPolarHBondContact CD-O 3.47Å; K106-C233 WeakPolarHBondContact CE-O 3.5Å; K106-C233 HydrophobicContact CG-CB 3.9Å; K106-C233 PolarHBondContact NZ-O 2.83Å; F157-C233 WeakPolarHBondContact O-CA 3.45Å; I229-C233 WeakPolarHBondContact O-CB 3.31Å; I229-C233 PolarHBondContact O-N 2.76Å; I229-C233 PolarHBondContact O-SG 2.93Å; A230-C233 CarbonylContact O-C 3.56Å; A230-C233 PolarHBondContact O-N 3.23Å; A230-C233 VanDerWaalsContact O-N 3.17Å; R231-C233 PolarHBondContact O-N 3.41Å; C233-I235 VanDerWaalsContact C-N 3.33Å; C233-I235 HydrophobicContact CB-CD1 4.45Å; C233-I235 HydrophobicContact CB-CG1 4.49Å; C233-I235 PolarHBondContact O-N 3.27Å
234G97.6Very high98.3Very high56 Ų5610.1 Ų10.158%0.5776%0.061SC*.THydrogen-bonded Turntrans70.819.8-17900000115.6A230 R231 H232A230-G234 PolarHBondContact O-N 3.07Å; A230-G234 VanDerWaalsContact O-N 3.16Å; R231-G234 PolarHBondContact O-N 3.4Å; H232-G234 VanDerWaalsContact C-N 3.3Å; H232-G234 PolarHBondContact O-N 2.95Å
235I98.6Very high98.2Very high0 Ų010.5 Ų10.50%06%0.063CC..  trans-81.8132.8174.9-65.8172.7000109.1K106 V110 K111 L113 A230 R231 C233K106-I235 HydrophobicContact CB-CD1 3.92Å; K106-I235 HydrophobicContact CD-CD1 4.08Å; K106-I235 HydrophobicContact CD-CG1 4.02Å; V110-I235 HydrophobicContact CG1-CD1 4.39Å; V110-I235 HydrophobicContact CG1-CG2 4.4Å; K111-I235 WeakPolarHBondContact O-CA 3.18Å; K111-I235 WeakPolarHBondContact O-CG2 3.48Å; L113-I235 HydrophobicContact CB-CG2 3.68Å; A230-I235 HydrophobicContact CB-CB 4.02Å; A230-I235 HydrophobicContact CB-CG2 4.15Å; A230-I235 WeakPolarHBondContact O-CB 3.44Å; A230-I235 PolarHBondContact O-N 3.06Å; R231-I235 WeakPolarHBondContact CD-O 3.47Å; R231-I235 PolarHBondContact NH1-O 2.89Å; C233-I235 VanDerWaalsContact C-N 3.33Å; C233-I235 HydrophobicContact CB-CD1 4.45Å; C233-I235 HydrophobicContact CB-CG1 4.49Å; C233-I235 PolarHBondContact O-N 3.27Å
236Q98.5Very high98.1Very high80 Ų8012.9 Ų12.937%0.3748%0.075SC..EExtended strand (participates in β ladder)trans-70.9139.5170.8-71.5179.1-59.900110.2K111 I112 L113 D169 L172K111-Q236 PolarHBondContact O-N 2.96Å; I112-Q236 CarbonylContact C-O 3.44Å; I112-Q236 WeakPolarHBondContact CA-O 3.5Å; I112-Q236 HydrophobicContact CG1-CB 4.33Å; L113-Q236 PolarHBondContact N-O 3.36Å; D169-Q236 HydrophobicContact CB-CB 4.47Å; D169-Q236 PolarHBondContact OD2-NE2 3.12Å; L172-Q236 HydrophobicContact CD1-CB 4.2Å
237V98.9Very high98Very high0 Ų012.6 Ų12.60%07%0.074CC..EExtended strand (participates in β ladder)trans-121.9130.6-175.9-175.60000110.7L113 V115 A167 D169 V227 A230 R231L113-V237 HydrophobicContact CB-CG2 4.38Å; L113-V237 WeakPolarHBondContact O-CA 3.48Å; V115-V237 HydrophobicContact CG2-CG1 4.42Å; A167-V237 WeakPolarHBondContact O-CB 3.5Å; D169-V237 PolarHBondContact N-O 2.89Å; V227-V237 HydrophobicContact CG1-CG1 4.39Å; V227-V237 HydrophobicContact CG2-CG1 4.03Å; A230-V237 HydrophobicContact CB-CG2 3.58Å; R231-V237 HydrophobicContact CG-CG2 4.25Å
238F98.7Very high97.9Very high2 Ų213.4 Ų13.41%0.0098%0.079CC..EExtended strand (participates in β ladder)trans-113.5131.8161.5170.1-107.5000107.7L113 M114 V115 I133 L172 A176 V240 F277 I280L113-F238 PolarHBondContact O-N 3.4Å; M114-F238 CarbonylContact C-O 3.56Å; M114-F238 VanDerWaalsContact CA-O 3.29Å; M114-F238 WeakPolarHBondContact CA-O 3.24Å; M114-F238 HydrophobicContact CB-CD1 4.33Å; M114-F238 HydrophobicContact CE-CD1 3.58Å; M114-F238 HydrophobicContact CE-CE1 3.92Å; M114-F238 HydrophobicContact CG-CB 4.4Å; M114-F238 HydrophobicContact CG-CD1 4.25Å; V115-F238 PolarHBondContact N-O 3.47Å; I133-F238 HydrophobicContact CD1-CE2 4.45Å; I133-F238 HydrophobicContact CG1-CE2 4.15Å; I133-F238 HydrophobicContact CG1-CZ 4.38Å; I133-F238 HydrophobicContact CG2-CD2 4.47Å; I133-F238 HydrophobicContact CG2-CE2 3.85Å; L172-F238 HydrophobicContact CB-CB 4.07Å; L172-F238 HydrophobicContact CB-CD2 4.42Å; L172-F238 HydrophobicContact CD1-CB 3.91Å; A176-F238 HydrophobicContact CB-CD2 4.25Å; A176-F238 HydrophobicContact CB-CE2 3.33Å; A176-F238 HydrophobicContact CB-CZ 3.53Å; F238-V240 HydrophobicContact CZ-CB 4.38Å; F238-F277 HydrophobicContact CD1-CZ 4.41Å; F238-F277 AromaticContact CE1-CE2 3.86Å; F238-F277 HydrophobicContact CE1-CE2 3.86Å; F238-F277 HydrophobicContact CE1-CZ 4Å; F238-I280 HydrophobicContact CE1-CD1 3.92Å; F238-I280 HydrophobicContact CZ-CD1 3.97Å
239A98.7Very high97.7Very high0 Ų015.6 Ų15.60%09%0.09CC..EExtended strand (participates in β ladder)trans-136141.617800000111.3V115 L134 Y168 T223V115-A239 HydrophobicContact CB-CB 4.12Å; V115-A239 CarbonylContact O-C 3.54Å; V115-A239 VanDerWaalsContact O-CA 3.23Å; V115-A239 WeakPolarHBondContact O-CA 3.45Å; L134-A239 HydrophobicContact CB-CB 4.2Å; L134-A239 HydrophobicContact CD1-CB 3.86Å; L134-A239 HydrophobicContact CG-CB 4.08Å; L134-A239 PolarHBondContact N-O 3.37Å; Y168-A239 HydrophobicContact CD1-CB 3.73Å; Y168-A239 HydrophobicContact CE1-CB 3.58Å; T223-A239 HydrophobicContact CG2-CB 4.48Å
240V98.5Very high97.6Very high0 Ų020.1 Ų20.10%011%0.114CC..EExtended strand (participates in β ladder)trans-133.7134.4177.469.90000110.4V115 S116 N117 F131 V132 F238 M273 W276 F277V115-V240 PolarHBondContact O-N 3.36Å; S116-V240 CarbonylContact C-O 3.59Å; S116-V240 VanDerWaalsContact CA-O 3.31Å; S116-V240 WeakPolarHBondContact CA-O 3.18Å; N117-V240 PolarHBondContact N-O 3.34Å; F131-V240 HydrophobicContact CB-CG2 3.88Å; F131-V240 HydrophobicContact CD1-CG2 4.38Å; V132-V240 CarbonylContact O-C 3.54Å; V132-V240 WeakPolarHBondContact O-CA 3.31Å; F238-V240 HydrophobicContact CZ-CB 4.38Å; V240-M273 HydrophobicContact CG1-CE 4.04Å; V240-M273 HydrophobicContact CG1-SD 4.4Å; V240-W276 HydrophobicContact CG2-CH2 4.23Å; V240-W276 HydrophobicContact CG2-CZ3 3.86Å; V240-F277 HydrophobicContact CG1-CE2 3.76Å; V240-F277 HydrophobicContact CG1-CZ 3.83Å
241S98.5Very high97.4Very high0 Ų025.4 Ų25.40%015%0.146CC..EExtended strand (participates in β ladder)trans-97.2133.2167.8-73.70000109.6N117 F131 V132N117-S241 VanDerWaalsContact CG-OG 3.29Å; N117-S241 PolarHBondContact ND2-OG 2.87Å; N117-S241 WeakPolarHBondContact OD1-CA 3.47Å; N117-S241 VanDerWaalsContact OD1-CB 3.28Å; N117-S241 WeakPolarHBondContact OD1-CB 3.4Å; N117-S241 PolarHBondContact OD1-OG 3.18Å; F131-S241 CarbonylContact C-O 3.53Å; F131-S241 WeakPolarHBondContact CA-O 3.41Å; V132-S241 PolarHBondContact N-O 3.35Å; V132-S241 PolarHBondContact O-N 2.84Å
242L98.2Very high97.3Very high0 Ų030.3 Ų30.30%017%0.172CC..EExtended strand (participates in β ladder)trans-88.9125.3161.9172.562.8000108.1L37 N117 A119 F131 T244 R269 M273L37-L242 HydrophobicContact CD2-CD2 3.92Å; N117-L242 PolarHBondContact O-N 3.13Å; A119-L242 PolarHBondContact N-O 3Å; F131-L242 HydrophobicContact CD1-CB 4.38Å; F131-L242 HydrophobicContact CD1-CD1 3.99Å; F131-L242 HydrophobicContact CE1-CB 4.48Å; F131-L242 HydrophobicContact CE1-CD1 3.78Å; F131-L242 HydrophobicContact CZ-CD1 4.48Å; L242-T244 HydrophobicContact CB-CG2 4.35Å; L242-T244 HydrophobicContact CD2-CG2 3.88Å; L242-T244 HydrophobicContact CG-CG2 3.8Å; L242-T244 PolarHBondContact O-N 2.83Å; L242-R269 HydrophobicContact CD1-CB 3.88Å; L242-R269 HydrophobicContact CD1-CG 3.79Å; L242-R269 HydrophobicContact CD2-CB 3.89Å; L242-R269 HydrophobicContact CD2-CG 4.47Å; L242-M273 HydrophobicContact CB-CE 4.09Å
243V98.2Very high97.1Very high0 Ų032.1 Ų32.10%019%0.185CC..EExtended strand (participates in β ladder)trans-72.9100.1174.6-179.10000108.4A119 L126 K127 G129 D130 V132 V218 I246A119-V243 WeakPolarHBondContact O-CA 3.3Å; L126-V243 HydrophobicContact CB-CG2 4.36Å; L126-V243 HydrophobicContact CD1-CG2 4.2Å; K127-V243 WeakPolarHBondContact O-CB 3.29Å; K127-V243 WeakPolarHBondContact O-CG1 3.41Å; G129-V243 PolarHBondContact N-O 3.4Å; D130-V243 HydrophobicContact CB-CB 4.5Å; D130-V243 HydrophobicContact CB-CG2 4.27Å; D130-V243 PolarHBondContact O-N 2.84Å; V132-V243 HydrophobicContact CG2-CG2 3.9Å; V218-V243 HydrophobicContact CG1-CG2 4.05Å; V243-I246 HydrophobicContact CG1-CD1 3.78Å
244T96.7Very high96.9Very high1 Ų139.1 Ų39.11%0.00622%0.222CC..EExtended strand (participates in β ladder)trans-99.2-19.2-173.747.80000113.8A118 A119 L242 V262 T265A118-T244 HydrophobicContact CB-CG2 3.65Å; A119-T244 PolarHBondContact N-OG1 2.95Å; A119-T244 PolarHBondContact O-N 3.05Å; A119-T244 PolarHBondContact O-OG1 2.87Å; L242-T244 HydrophobicContact CB-CG2 4.35Å; L242-T244 HydrophobicContact CD2-CG2 3.88Å; L242-T244 HydrophobicContact CG-CG2 3.8Å; L242-T244 PolarHBondContact O-N 2.83Å; T244-V262 HydrophobicContact CG2-CG1 4.25Å; T244-T265 HydrophobicContact CG2-CG2 4.26Å; T244-T265 PolarHBondContact O-OG1 3.2Å
245N95.8Very high96.6Very high8 Ų842 Ų424%0.04322%0.224CC..EExtended strand (participates in β ladder)trans-145.515517262.6-75.5000108.2G120 G121 L128 P257G120-N245 CarbonylContact C-O 3.56Å; G120-N245 WeakPolarHBondContact CA-O 3.29Å; G120-N245 WeakPolarHBondContact CA-OD1 3.32Å; G121-N245 PolarHBondContact N-O 3.49Å; L128-N245 VanDerWaalsContact CD2-CA 3.42Å; N245-P257 HydrophobicContact CB-CB 4.29Å
246I95.9Very high96.3Very high51 Ų5150 Ų5026%0.26226%0.259SS..EExtended strand (participates in β ladder)trans-94.5123.8169.6-60.6-56.8000107.5L128 V243 V248L128-I246 HydrophobicContact CD2-CD1 4.31Å; L128-I246 HydrophobicContact CD2-CG1 3.97Å; L128-I246 HydrophobicContact CG-CD1 4.45Å; L128-I246 HydrophobicContact CG-CG1 4.03Å; V243-I246 HydrophobicContact CG1-CD1 3.78Å; I246-V248 PolarHBondContact O-N 3.45Å
247S96.5Very high96Very high2 Ų247.8 Ų47.81%0.01425%0.251CS..PPolyproline II helixtrans-62.6137.8179-65.50000110.1G121 R124G121-S247 WeakPolarHBondContact O-CB 3.28Å; G121-S247 PolarHBondContact O-N 3.06Å; R124-S247 PolarHBondContact NH1-O 2.97Å; R124-S247 PolarHBondContact NH2-O 3.27Å
248V96.4Very high95.7Very high17 Ų1750.3 Ų50.310%0.10326%0.264CS..PPolyproline II helixtrans-80.3127.4-179.9-176.90000108.4P205 C208 I246 D250 L255 P257P205-V248 WeakPolarHBondContact CA-O 3.24Å; P205-V248 HydrophobicContact CG-CG1 4.04Å; C208-V248 VanDerWaalsContact CB-O 3.29Å; C208-V248 WeakPolarHBondContact CB-O 3.5Å; C208-V248 PolarHBondContact SG-O 3.1Å; I246-V248 PolarHBondContact O-N 3.45Å; V248-D250 VanDerWaalsContact CG1-O 3.25Å; V248-D250 WeakPolarHBondContact CG1-O 3.37Å; V248-L255 HydrophobicContact CG2-CB 3.89Å; V248-P257 HydrophobicContact CG2-CG 4.18Å
249L95.3Very high95.3Very high47 Ų4753.4 Ų53.425%0.24628%0.279CS..  trans-110.8-21.3177.3-59.6-179.2000112.6R124 C208 L212R124-L249 HydrophobicContact CG-CD1 4.25Å; C208-L249 HydrophobicContact CB-CD2 3.48Å; C208-L249 VanDerWaalsContact CB-CD2 3.48Å; L212-L249 HydrophobicContact CD2-CD1 3.68Å
250D95.3Very high95Very high94 Ų9461 Ų6150%0.50331%0.314SS..  trans-98.5126.3-179.1-175.43.2000109.9V248 E252 S253V248-D250 VanDerWaalsContact CG1-O 3.25Å; V248-D250 WeakPolarHBondContact CG1-O 3.37Å; D250-E252 PolarHBondContact O-N 2.91Å; D250-E252 PolarHBondContact OD1-N 3.29Å; D250-S253 VanDerWaalsContact O-CB 3.28Å; D250-S253 WeakPolarHBondContact O-CB 3.44Å; D250-S253 PolarHBondContact O-N 2.96Å
251V95.2Very high94.7Very high112 Ų11265.4 Ų65.468%0.67934%0.335SS*.THydrogen-bonded Turntrans-66.7-23.3178.469.10000112.4S253V251-S253 VanDerWaalsContact C-N 3.3Å
252E96.2Very high94.4Very high156 Ų15665.7 Ų65.773%0.72934%0.337SS*.THydrogen-bonded Turntrans-87.73.2177.5-56.6-58.1143.300112.7D250D250-E252 PolarHBondContact O-N 2.91Å; D250-E252 PolarHBondContact OD1-N 3.29Å
253S93.6Very high94.1Very high44 Ų4467.8 Ų67.831%0.30835%0.347SS..  trans-76.7132.3178.3-169.60000112.1D250 V251 L255D250-S253 VanDerWaalsContact O-CB 3.28Å; D250-S253 WeakPolarHBondContact O-CB 3.44Å; D250-S253 PolarHBondContact O-N 2.96Å; V251-S253 VanDerWaalsContact C-N 3.3Å; S253-L255 VanDerWaalsContact C-N 3.25Å; S253-L255 PolarHBondContact O-N 3.09Å; S253-L255 PolarHBondContact OG-N 2.81Å
254D93.4Very high93.9Very high151 Ų15170.6 Ų70.681%0.80737%0.371SS*.  trans-78.2-5.1172.8-72.6-45.9000114.2K256D254-K256 PolarHBondContact O-N 2.9Å
255L92Very high93.7Very high118 Ų11871.3 Ų71.362%0.61838%0.375SS*.  trans-65.3132-177.7-68.6175.6000111V248 S253V248-L255 HydrophobicContact CG2-CB 3.89Å; S253-L255 VanDerWaalsContact C-N 3.25Å; S253-L255 PolarHBondContact O-N 3.09Å; S253-L255 PolarHBondContact OG-N 2.81Å
256K91.7Very high93.6Very high168 Ų16870.9 Ų70.973%0.7337%0.373SS*.  trans-127.594-179.5-68.4175.3-172.4174.10109.9D254 N258D254-K256 PolarHBondContact O-N 2.9Å; K256-N258 PolarHBondContact O-N 2.87Å; K256-N258 PolarHBondContact O-ND2 3.35Å
257P91.6Very high93.4Very high32 Ų3270.9 Ų70.921%0.20838%0.38CS..  trans-52.2133.3173.4-25.534.5000110.7Y202 N245 V248Y202-P257 HydrophobicContact CD1-CB 3.88Å; Y202-P257 HydrophobicContact CD2-CB 4.39Å; Y202-P257 HydrophobicContact CE1-CB 4.05Å; Y202-P257 HydrophobicContact CG-CB 4.05Å; N245-P257 HydrophobicContact CB-CB 4.29Å; V248-P257 HydrophobicContact CG2-CG 4.18Å
258N92.7Very high93.2Very high53 Ų5377.5 Ų77.528%0.28341%0.411SS..  trans-144.9160.4-176.862.873.4000111.3K256 E260 E261 V262K256-N258 PolarHBondContact O-N 2.87Å; K256-N258 PolarHBondContact O-ND2 3.35Å; N258-E260 VanDerWaalsContact C-N 3.28Å; N258-E260 PolarHBondContact O-N 2.83Å; N258-E260 WeakPolarHBondContact OD1-CB 3.39Å; N258-E260 PolarHBondContact OD1-N 3.09Å; N258-E261 PolarHBondContact ND2-OE1 3.05Å; N258-E261 PolarHBondContact O-N 2.8Å; N258-E261 WeakPolarHBondContact OD1-CG 3.49Å; N258-E261 PolarHBondContact OD1-N 3.07Å; N258-V262 WeakPolarHBondContact O-CG2 3.41Å; N258-V262 PolarHBondContact O-N 3.1Å
259H90.7Very high93.2Very high68 Ų6879.3 Ų79.332%0.31542%0.416SS..Hα-helixtrans-69-26.6-175.3-166.864.6000113V64 Y202 V262 L263V64-H259 PolarHBondContact O-NE2 2.95Å; Y202-H259 PolarHBondContact OH-N 3.23Å; H259-V262 WeakPolarHBondContact O-CB 3.45Å; H259-V262 PolarHBondContact O-N 3.45Å; H259-L263 WeakPolarHBondContact O-CG 3.46Å; H259-L263 PolarHBondContact O-N 3.07Å
260E92.8Very high93Very high159 Ų15977.1 Ų77.174%0.74341%0.405SS*.Hα-helixtrans-65.9-47.7178.3-175178.8174.100111.2N258 V262 L263 A264N258-E260 VanDerWaalsContact C-N 3.28Å; N258-E260 PolarHBondContact O-N 2.83Å; N258-E260 WeakPolarHBondContact OD1-CB 3.39Å; N258-E260 PolarHBondContact OD1-N 3.09Å; E260-V262 PolarHBondContact O-N 3.1Å; E260-L263 PolarHBondContact O-N 3.43Å; E260-A264 WeakPolarHBondContact O-CB 3.41Å; E260-A264 PolarHBondContact O-N 3.5Å
261E91.5Very high92.9Very high92 Ų9279.1 Ų79.143%0.4341%0.411SS..Hα-helixtrans-58.7-36.6172.6-75.1172.1-16300112.2N258 A264 T265N258-E261 PolarHBondContact ND2-OE1 3.05Å; N258-E261 PolarHBondContact O-N 2.8Å; N258-E261 WeakPolarHBondContact OD1-CG 3.49Å; N258-E261 PolarHBondContact OD1-N 3.07Å; E261-A264 PolarHBondContact O-N 3.32Å; E261-T265 WeakPolarHBondContact O-CB 3.38Å; E261-T265 PolarHBondContact O-N 3.13Å; E261-T265 PolarHBondContact O-OG1 3.29Å
262V92.1Very high93Very high7 Ų775.9 Ų75.94%0.04239%0.39CS..Hα-helixtrans-62-48.1176.4170.20000111.3A118 T244 N258 H259 E260 G266A118-V262 HydrophobicContact CB-CG1 3.61Å; T244-V262 HydrophobicContact CG2-CG1 4.25Å; N258-V262 WeakPolarHBondContact O-CG2 3.41Å; N258-V262 PolarHBondContact O-N 3.1Å; H259-V262 WeakPolarHBondContact O-CB 3.45Å; H259-V262 PolarHBondContact O-N 3.45Å; E260-V262 PolarHBondContact O-N 3.1Å; V262-G266 PolarHBondContact O-N 3.28Å
263L92.4Very high93Very high43 Ų4368.5 Ų68.523%0.22536%0.355CS..Hα-helixtrans-67-40.4178.7-66.4177.9000111.9V64 H259 E260 G266 A267V64-L263 HydrophobicContact CG1-CD1 4.03Å; H259-L263 WeakPolarHBondContact O-CG 3.46Å; H259-L263 PolarHBondContact O-N 3.07Å; E260-L263 PolarHBondContact O-N 3.43Å; L263-G266 PolarHBondContact O-N 3.08Å; L263-A267 WeakPolarHBondContact O-CB 3.33Å; L263-A267 PolarHBondContact O-N 3.48Å
264A93.6Very high93.1Very high60 Ų6068 Ų6850%0.49635%0.348SS..Hα-helixtrans-62.3-50.1178.100000111.8E260 E261 G266 A267 Q268E260-A264 WeakPolarHBondContact O-CB 3.41Å; E260-A264 PolarHBondContact O-N 3.5Å; E261-A264 PolarHBondContact O-N 3.32Å; A264-G266 VanDerWaalsContact C-N 3.33Å; A264-G266 PolarHBondContact O-N 3.33Å; A264-A267 PolarHBondContact O-N 3.24Å; A264-Q268 PolarHBondContact O-N 3.38Å
265T93.9Very high93.2Very high15 Ų1562.6 Ų62.69%0.09232%0.322CS..Hα-helixtrans-63.2-40.2177-52.70000111.5T244 E261 A267 Q268 R269T244-T265 HydrophobicContact CG2-CG2 4.26Å; T244-T265 PolarHBondContact O-OG1 3.2Å; E261-T265 WeakPolarHBondContact O-CB 3.38Å; E261-T265 PolarHBondContact O-N 3.13Å; E261-T265 PolarHBondContact O-OG1 3.29Å; T265-A267 PolarHBondContact O-N 2.9Å; T265-Q268 PolarHBondContact O-N 3.35Å; T265-R269 PolarHBondContact O-N 3.01Å
266G92.8Very high93.4Very high0 Ų057 Ų570%029%0.293CS..Hα-helixtrans-55.4-50.8172.900000112.3G36 V262 L263 A264 Q268 R269 A270G36-G266 CarbonylContact O-C 3.54Å; V262-G266 PolarHBondContact O-N 3.28Å; L263-G266 PolarHBondContact O-N 3.08Å; A264-G266 VanDerWaalsContact C-N 3.33Å; A264-G266 PolarHBondContact O-N 3.33Å; G266-Q268 VanDerWaalsContact C-N 3.33Å; G266-Q268 PolarHBondContact O-N 3.45Å; G266-R269 PolarHBondContact O-N 2.91Å; G266-A270 WeakPolarHBondContact O-CB 3.44Å; G266-A270 PolarHBondContact O-N 2.99Å
267A91.3Very high93.7Very high50 Ų5049 Ų4941%0.41326%0.258SS..Hα-helixtrans-61.8-38.2179.400000112.8L263 A264 T265 R269L263-A267 WeakPolarHBondContact O-CB 3.33Å; L263-A267 PolarHBondContact O-N 3.48Å; A264-A267 PolarHBondContact O-N 3.24Å; T265-A267 PolarHBondContact O-N 2.9Å; A267-R269 VanDerWaalsContact C-N 3.31Å; A267-R269 PolarHBondContact O-N 3.41Å
268Q93.8Very high94Very high142 Ų14249.7 Ų49.766%0.66426%0.259SS*.Hα-helixtrans-64.2-33.1177.9-172.2-174.511.600112.8A264 T265 G266A264-Q268 PolarHBondContact O-N 3.38Å; T265-Q268 PolarHBondContact O-N 3.35Å; G266-Q268 VanDerWaalsContact C-N 3.33Å; G266-Q268 PolarHBondContact O-N 3.45Å
269R94.9Very high94.2Very high55 Ų5550.1 Ų50.121%0.20826%0.258CS..Hα-helixtrans-103.1-5.4-176-71.7-59.4-162.2-153.4-3.7114.7G129 F131 L242 T265 G266 A267 E271 L272 M273G129-R269 PolarHBondContact O-NE 3.33Å; F131-R269 HydrophobicContact CE1-CB 4.23Å; F131-R269 HydrophobicContact CZ-CB 3.93Å; F131-R269 HydrophobicContact CZ-CG 4.32Å; L242-R269 HydrophobicContact CD1-CB 3.88Å; L242-R269 HydrophobicContact CD1-CG 3.79Å; L242-R269 HydrophobicContact CD2-CB 3.89Å; L242-R269 HydrophobicContact CD2-CG 4.47Å; T265-R269 PolarHBondContact O-N 3.01Å; G266-R269 PolarHBondContact O-N 2.91Å; A267-R269 VanDerWaalsContact C-N 3.31Å; A267-R269 PolarHBondContact O-N 3.41Å; R269-E271 PolarHBondContact O-N 3.26Å; R269-L272 PolarHBondContact O-N 2.93Å; R269-M273 PolarHBondContact O-N 3.45Å
270A92.5Very high94.6Very high1 Ų147 Ų471%0.00824%0.243CC..Hα-helixtrans-60-42.9-172.700000113.5K39 G266 M273 Q274K39-A270 HydrophobicContact CB-CB 3.97Å; K39-A270 HydrophobicContact CD-CB 4.09Å; K39-A270 HydrophobicContact CG-CB 4.35Å; G266-A270 WeakPolarHBondContact O-CB 3.44Å; G266-A270 PolarHBondContact O-N 2.99Å; A270-M273 PolarHBondContact O-N 2.94Å; A270-Q274 WeakPolarHBondContact O-CB 3.43Å; A270-Q274 PolarHBondContact O-N 3.5Å
271E93.4Very high94.8Very high135 Ų13539.4 Ų39.463%0.63121%0.208SC*.Hα-helixtrans-65.5-41.5179.2-69.4176.8-168.900112.2R269 Q274 S275R269-E271 PolarHBondContact O-N 3.26Å; E271-Q274 PolarHBondContact O-N 3.05Å; E271-S275 PolarHBondContact O-N 3.21Å
272L96.2Very high95.1Very high44 Ų4441.3 Ų41.323%0.2322%0.217CC..Hα-helixtrans-65.7-43.7176.6-179.757.3000111.2F131 F185 L188 R269 Q274 S275 W276F131-L272 HydrophobicContact CE2-CD2 3.8Å; F131-L272 HydrophobicContact CE2-CG 4.07Å; F131-L272 HydrophobicContact CZ-CD2 4.37Å; F131-L272 HydrophobicContact CZ-CG 4.37Å; F185-L272 HydrophobicContact CD1-CD1 3.81Å; F185-L272 HydrophobicContact CD2-CD1 4.25Å; F185-L272 HydrophobicContact CD2-CD2 4.4Å; F185-L272 HydrophobicContact CE1-CD1 3.95Å; F185-L272 HydrophobicContact CE2-CD1 4.4Å; F185-L272 HydrophobicContact CG-CD1 3.97Å; F185-L272 HydrophobicContact CG-CD2 4.44Å; F185-L272 HydrophobicContact CZ-CD1 4.25Å; L188-L272 HydrophobicContact CD1-CD2 4.01Å; R269-L272 PolarHBondContact O-N 2.93Å; L272-Q274 VanDerWaalsContact C-N 3.34Å; L272-Q274 PolarHBondContact O-N 3.43Å; L272-S275 PolarHBondContact O-N 3.39Å; L272-W276 WeakPolarHBondContact O-CB 3.37Å; L272-W276 PolarHBondContact O-N 2.9Å
273M96.4Very high95.3Very high1 Ų145.4 Ų45.41%0.00523%0.234CC..Hα-helixtrans-62.9-41.7176.2-173.9-177.8-72.800111.6L37 L40 S116 F131 V240 L242 R269 A270 W276 F277L37-M273 HydrophobicContact CB-SD 4.48Å; L37-M273 HydrophobicContact CD1-CE 3.63Å; L37-M273 HydrophobicContact CD1-SD 3.76Å; L37-M273 HydrophobicContact CD2-CE 3.78Å; L37-M273 HydrophobicContact CD2-SD 3.8Å; L37-M273 HydrophobicContact CG-CE 4.34Å; L37-M273 HydrophobicContact CG-SD 4.22Å; L40-M273 HydrophobicContact CD1-CG 4.04Å; L40-M273 HydrophobicContact CD1-SD 4.47Å; S116-M273 WeakPolarHBondContact CB-SD 3.1Å; F131-M273 HydrophobicContact CD1-CE 3.73Å; F131-M273 HydrophobicContact CE1-CB 4.01Å; F131-M273 HydrophobicContact CE1-CE 3.44Å; F131-M273 VanDerWaalsContact CE1-CE 3.44Å; F131-M273 HydrophobicContact CE1-CG 4.41Å; F131-M273 HydrophobicContact CZ-CB 4.17Å; V240-M273 HydrophobicContact CG1-CE 4.04Å; V240-M273 HydrophobicContact CG1-SD 4.4Å; L242-M273 HydrophobicContact CB-CE 4.09Å; R269-M273 PolarHBondContact O-N 3.45Å; A270-M273 PolarHBondContact O-N 2.94Å; M273-W276 PolarHBondContact O-N 3.22Å; M273-F277 HydrophobicContact CG-CD2 4.01Å; M273-F277 HydrophobicContact CG-CE2 3.9Å; M273-F277 WeakPolarHBondContact O-CD2 3.39Å; M273-F277 PolarHBondContact O-N 3.31Å; M273-F277 HydrophobicContact SD-CE2 4.39Å
274Q95.1Very high95.5Very high33 Ų3343.9 Ų43.915%0.15423%0.226CC..Hα-helixtrans-58.3-52.7174.8-175.8-162.3-20.700111.5K39 L40 A270 E271 L272 W276 F277 E278K39-Q274 PolarHBondContact O-OE1 3.39Å; L40-Q274 VanDerWaalsContact CD1-CA 3.46Å; L40-Q274 HydrophobicContact CD1-CB 4.09Å; A270-Q274 WeakPolarHBondContact O-CB 3.43Å; A270-Q274 PolarHBondContact O-N 3.5Å; E271-Q274 PolarHBondContact O-N 3.05Å; L272-Q274 VanDerWaalsContact C-N 3.34Å; L272-Q274 PolarHBondContact O-N 3.43Å; Q274-W276 PolarHBondContact O-N 2.79Å; Q274-F277 PolarHBondContact O-N 2.92Å; Q274-E278 WeakPolarHBondContact CG-OE1 3.48Å; Q274-E278 PolarHBondContact NE2-OE1 3.35Å; Q274-E278 WeakPolarHBondContact O-CG 3.44Å; Q274-E278 PolarHBondContact O-N 3.33Å
275S95.8Very high95.3Very high38 Ų3846 Ų4627%0.26624%0.235SC..Hα-helixtrans-58.7-38.1177.5-1690000111.8E271 L272 K279E271-S275 PolarHBondContact O-N 3.21Å; L272-S275 PolarHBondContact O-N 3.39Å; S275-K279 VanDerWaalsContact O-CG 3.27Å; S275-K279 WeakPolarHBondContact O-CG 3.44Å; S275-K279 PolarHBondContact O-N 3.25Å; S275-K279 VanDerWaalsContact O-N 3.1Å; S275-K279 WeakPolarHBondContact OG-CE 3.33Å
276W97.6Very high94.7Very high0 Ų053.6 Ų53.60%027%0.267CS..Hα-helixtrans-65.7-45.8178.1-171.520.7000112.3F131 I133 A176 A180 F185 V189 V240 L272 M273 Q274 K279 I280F131-W276 HydrophobicContact CB-CH2 4.28Å; F131-W276 HydrophobicContact CB-CZ3 3.72Å; F131-W276 HydrophobicContact CD1-CZ3 4.36Å; F131-W276 HydrophobicContact CD2-CE3 4.45Å; F131-W276 HydrophobicContact CD2-CZ3 4.16Å; F131-W276 HydrophobicContact CG-CE3 4.41Å; F131-W276 AromaticContact CG-CZ3 3.84Å; F131-W276 HydrophobicContact CG-CZ3 3.84Å; I133-W276 HydrophobicContact CD1-CH2 3.94Å; I133-W276 HydrophobicContact CD1-CZ2 3.91Å; I133-W276 HydrophobicContact CG1-CH2 3.74Å; I133-W276 HydrophobicContact CG1-CZ2 4.21Å; A176-W276 HydrophobicContact CB-CZ2 3.89Å; A176-W276 WeakPolarHBondContact O-CZ2 3.31Å; A176-W276 PolarHBondContact O-NE1 3.49Å; A180-W276 HydrophobicContact CB-CZ2 4.16Å; F185-W276 HydrophobicContact CE2-CB 4.29Å; F185-W276 AromaticContact CE2-CD2 3.86Å; F185-W276 HydrophobicContact CE2-CD2 3.86Å; F185-W276 HydrophobicContact CE2-CE3 4.24Å; F185-W276 AromaticContact CE2-CG 3.89Å; F185-W276 HydrophobicContact CE2-CG 3.89Å; F185-W276 HydrophobicContact CZ-CB 3.77Å; F185-W276 AromaticContact CZ-CD1 3.66Å; F185-W276 HydrophobicContact CZ-CD2 4.04Å; F185-W276 AromaticContact CZ-CG 3.55Å; F185-W276 HydrophobicContact CZ-CG 3.55Å; V189-W276 HydrophobicContact CB-CH2 4.34Å; V189-W276 HydrophobicContact CG1-CH2 3.61Å; V189-W276 HydrophobicContact CG1-CZ2 3.85Å; V189-W276 HydrophobicContact CG2-CH2 3.73Å; V189-W276 HydrophobicContact CG2-CZ2 4.01Å; V189-W276 HydrophobicContact CG2-CZ3 4.12Å; V240-W276 HydrophobicContact CG2-CH2 4.23Å; V240-W276 HydrophobicContact CG2-CZ3 3.86Å; L272-W276 WeakPolarHBondContact O-CB 3.37Å; L272-W276 PolarHBondContact O-N 2.9Å; M273-W276 PolarHBondContact O-N 3.22Å; Q274-W276 PolarHBondContact O-N 2.79Å; W276-K279 PolarHBondContact O-N 3.12Å; W276-I280 HydrophobicContact CD2-CD1 4.21Å; W276-I280 HydrophobicContact CG-CD1 4.08Å; W276-I280 VanDerWaalsContact O-CG1 3.28Å; W276-I280 WeakPolarHBondContact O-CG1 3.49Å; W276-I280 PolarHBondContact O-N 3.16Å
277F97.6Very high93.4Very high0 Ų061.8 Ų61.80%031%0.31CS..Hα-helixtrans-63.6-43.7177.6-86.9-135.7000111.4I31 L40 M114 F238 V240 M273 Q274 K279 I280 I281I31-F277 HydrophobicContact CG2-CD1 4.18Å; I31-F277 HydrophobicContact CG2-CE1 4.12Å; L40-F277 HydrophobicContact CD1-CB 4.09Å; L40-F277 HydrophobicContact CD1-CD1 4.05Å; L40-F277 HydrophobicContact CD1-CD2 4.43Å; L40-F277 HydrophobicContact CD1-CG 3.94Å; L40-F277 HydrophobicContact CD2-CD1 3.79Å; L40-F277 HydrophobicContact CD2-CE1 3.97Å; L40-F277 HydrophobicContact CG-CD1 4.4Å; M114-F277 HydrophobicContact CB-CD1 4.15Å; M114-F277 HydrophobicContact CB-CE1 3.66Å; M114-F277 HydrophobicContact CB-CZ 4.44Å; M114-F277 HydrophobicContact CE-CB 4.33Å; M114-F277 HydrophobicContact CE-CD1 3.66Å; M114-F277 HydrophobicContact CE-CD2 4.25Å; M114-F277 HydrophobicContact CE-CE1 3.95Å; M114-F277 HydrophobicContact CE-CE2 4.48Å; M114-F277 HydrophobicContact CE-CG 3.82Å; M114-F277 HydrophobicContact CE-CZ 4.35Å; M114-F277 HydrophobicContact SD-CD1 4.26Å; F238-F277 HydrophobicContact CD1-CZ 4.41Å; F238-F277 AromaticContact CE1-CE2 3.86Å; F238-F277 HydrophobicContact CE1-CE2 3.86Å; F238-F277 HydrophobicContact CE1-CZ 4Å; V240-F277 HydrophobicContact CG1-CE2 3.76Å; V240-F277 HydrophobicContact CG1-CZ 3.83Å; M273-F277 HydrophobicContact CG-CD2 4.01Å; M273-F277 HydrophobicContact CG-CE2 3.9Å; M273-F277 WeakPolarHBondContact O-CD2 3.39Å; M273-F277 PolarHBondContact O-N 3.31Å; M273-F277 HydrophobicContact SD-CE2 4.39Å; Q274-F277 PolarHBondContact O-N 2.92Å; F277-K279 VanDerWaalsContact C-N 3.29Å; F277-K279 PolarHBondContact O-N 2.87Å; F277-I280 PolarHBondContact O-N 2.91Å; F277-I281 WeakPolarHBondContact O-CB 3.46Å; F277-I281 WeakPolarHBondContact O-CG1 3.44Å; F277-I281 PolarHBondContact O-N 2.86Å
278E96.8Very high93.5Very high48 Ų4862.4 Ų62.422%0.22431%0.305CS..Hα-helixtrans-53.8-46.5174.4-77.6172.2-168.800111.6G43 L75 S76 Q274 I281 E282G43-E278 WeakPolarHBondContact CA-OE1 3.46Å; L75-E278 HydrophobicContact CD1-CG 3.47Å; L75-E278 VanDerWaalsContact CD1-CG 3.47Å; L75-E278 HydrophobicContact CD2-CG 4.23Å; L75-E278 HydrophobicContact CG-CG 3.82Å; S76-E278 WeakPolarHBondContact CB-O 3.37Å; S76-E278 PolarHBondContact OG-O 2.85Å; Q274-E278 WeakPolarHBondContact CG-OE1 3.48Å; Q274-E278 PolarHBondContact NE2-OE1 3.35Å; Q274-E278 WeakPolarHBondContact O-CG 3.44Å; Q274-E278 PolarHBondContact O-N 3.33Å; E278-I281 PolarHBondContact O-N 2.87Å; E278-E282 WeakPolarHBondContact O-CB 3.33Å; E278-E282 PolarHBondContact O-N 2.75Å
279K97.6Very high93.5Very high61 Ų6158.2 Ų58.227%0.26529%0.286SS..Hα-helixtrans-72.8-35.3-179.2-69.1175.3-175.4-177.90113.3V179 N183 S275 W276 F277 K283V179-K279 HydrophobicContact CG1-CB 3.44Å; V179-K279 VanDerWaalsContact CG1-CB 3.44Å; V179-K279 HydrophobicContact CG1-CD 4.43Å; N183-K279 WeakPolarHBondContact OD1-CD 3.34Å; N183-K279 WeakPolarHBondContact OD1-CE 3.43Å; N183-K279 PolarHBondContact OD1-NZ 3.02Å; S275-K279 VanDerWaalsContact O-CG 3.27Å; S275-K279 WeakPolarHBondContact O-CG 3.44Å; S275-K279 PolarHBondContact O-N 3.25Å; S275-K279 VanDerWaalsContact O-N 3.1Å; S275-K279 WeakPolarHBondContact OG-CE 3.33Å; W276-K279 PolarHBondContact O-N 3.12Å; F277-K279 VanDerWaalsContact C-N 3.29Å; F277-K279 PolarHBondContact O-N 2.87Å; K279-K283 PolarHBondContact O-N 2.94Å
280I98.3Very high93.4Very high2 Ų258.3 Ų58.31%0.0129%0.291CS..Hα-helixtrans-60.4-49.9171-68.5163.8000109.3M114 L175 A176 V179 F238 W276 F277 E282 K283 L284M114-I280 HydrophobicContact CE-CB 4.13Å; M114-I280 HydrophobicContact CE-CD1 4.19Å; M114-I280 HydrophobicContact CE-CG2 3.82Å; L175-I280 HydrophobicContact CD2-CG2 4.19Å; A176-I280 HydrophobicContact CB-CD1 3.68Å; A176-I280 HydrophobicContact CB-CG1 4.21Å; V179-I280 HydrophobicContact CB-CG1 4.29Å; V179-I280 HydrophobicContact CG1-CG1 4.33Å; V179-I280 HydrophobicContact CG2-CG1 4.35Å; F238-I280 HydrophobicContact CE1-CD1 3.92Å; F238-I280 HydrophobicContact CZ-CD1 3.97Å; W276-I280 HydrophobicContact CD2-CD1 4.21Å; W276-I280 HydrophobicContact CG-CD1 4.08Å; W276-I280 VanDerWaalsContact O-CG1 3.28Å; W276-I280 WeakPolarHBondContact O-CG1 3.49Å; W276-I280 PolarHBondContact O-N 3.16Å; F277-I280 PolarHBondContact O-N 2.91Å; I280-E282 VanDerWaalsContact C-N 3.32Å; I280-E282 PolarHBondContact O-N 3.04Å; I280-K283 PolarHBondContact O-N 2.95Å; I280-K283 VanDerWaalsContact O-N 3.12Å; I280-L284 PolarHBondContact O-N 3.36Å
281I98Very high93.4Very high0 Ų061.7 Ų61.70%031%0.307CS..Hα-helixtrans-63.3-39-177.3-69.5170.9000111.5I29 I31 L75 R78 M114 F277 E278 K283 L284I29-I281 HydrophobicContact CD1-CG1 4.16Å; I29-I281 HydrophobicContact CD1-CG2 3.75Å; I31-I281 HydrophobicContact CD1-CD1 3.91Å; L75-I281 HydrophobicContact CD2-CD1 3.64Å; L75-I281 HydrophobicContact CG-CD1 4.25Å; L75-I281 WeakPolarHBondContact O-CG2 3.28Å; R78-I281 HydrophobicContact CB-CG2 3.6Å; R78-I281 HydrophobicContact CG-CG2 3.46Å; R78-I281 VanDerWaalsContact CG-CG2 3.46Å; M114-I281 HydrophobicContact CE-CG1 4.33Å; M114-I281 HydrophobicContact SD-CD1 3.79Å; M114-I281 HydrophobicContact SD-CG1 3.58Å; M114-I281 VanDerWaalsContact SD-CG1 3.58Å; F277-I281 WeakPolarHBondContact O-CB 3.46Å; F277-I281 WeakPolarHBondContact O-CG1 3.44Å; F277-I281 PolarHBondContact O-N 2.86Å; E278-I281 PolarHBondContact O-N 2.87Å; I281-K283 PolarHBondContact O-N 3.44Å; I281-L284 HydrophobicContact CG1-CD1 4.37Å; I281-L284 WeakPolarHBondContact O-CB 3.25Å; I281-L284 PolarHBondContact O-N 3.41Å
282E96.6Very high93.4Very high133 Ų13357.1 Ų57.162%0.62129%0.287SS*.Hα-helixtrans-57.5-37.8175.1-172.9179.8-179.100112.3E278 I280E278-E282 WeakPolarHBondContact O-CB 3.33Å; E278-E282 PolarHBondContact O-N 2.75Å; I280-E282 VanDerWaalsContact C-N 3.32Å; I280-E282 PolarHBondContact O-N 3.04Å
283K97.6Very high93.3Very high93 Ų9358 Ų5840%0.40429%0.291SS..Hα-helixtrans-90.2-2.7-178-67.1-160.9175-156.50114.7L175 V179 E182 K279 I280 I281L175-K283 HydrophobicContact CD1-CB 3.78Å; L175-K283 HydrophobicContact CD1-CD 4.18Å; L175-K283 HydrophobicContact CD2-CB 4.23Å; V179-K283 HydrophobicContact CG2-CD 3.96Å; E182-K283 VanDerWaalsContact CD-NZ 3.29Å; E182-K283 IonicContact OE1-NZ 3.1Å; E182-K283 PolarHBondContact OE1-NZ 3.19Å; E182-K283 VanDerWaalsContact OE1-NZ 3.16Å; E182-K283 WeakPolarHBondContact OE2-CE 3.43Å; E182-K283 IonicContact OE2-NZ 3.16Å; E182-K283 PolarHBondContact OE2-NZ 3.01Å; K279-K283 PolarHBondContact O-N 2.94Å; I280-K283 PolarHBondContact O-N 2.95Å; I280-K283 VanDerWaalsContact O-N 3.12Å; I281-K283 PolarHBondContact O-N 3.44Å
284L96.8Very high93Very high11 Ų1162.1 Ų62.16%0.05831%0.311CS..SBendtrans-63.4139.2174.2-72.9174.1000110I29 R78 I112 L172 L175 I280 I281 K286I29-L284 HydrophobicContact CD1-CD1 3.7Å; I29-L284 HydrophobicContact CG1-CD1 4.36Å; R78-L284 PolarHBondContact NH1-O 3.44Å; I112-L284 HydrophobicContact CD1-CD1 3.87Å; I112-L284 HydrophobicContact CD1-CD2 4.19Å; L172-L284 HydrophobicContact CD2-CD2 3.42Å; L172-L284 VanDerWaalsContact CD2-CD2 3.42Å; L175-L284 HydrophobicContact CD2-CD2 3.98Å; I280-L284 PolarHBondContact O-N 3.36Å; I281-L284 HydrophobicContact CG1-CD1 4.37Å; I281-L284 WeakPolarHBondContact O-CB 3.25Å; I281-L284 PolarHBondContact O-N 3.41Å; L284-K286 PolarHBondContact O-N 3.39Å
285P89.4Confident92.9Very high105 Ų10564.3 Ų64.368%0.68232%0.323SS*.PPolyproline II helixtrans-50.2139.9169.2-2534000110.8R78R78-P285 PolarHBondContact NH1-O 3Å; R78-P285 PolarHBondContact NH2-O 2.94Å
286K80.3Confident92.6Very high174 Ų17466.5 Ų66.576%0.75733%0.328SS*.PPolyproline II helixtrans-88.7131.2169.6-65-177.6-178.7179.20107.1L284L284-K286 PolarHBondContact O-N 3.39Å
287D64.9Low92.2Very high171 Ų17172.5 Ų72.591%0.91436%0.358SS*.  trans-61.50169.7-72.2-20.7000111K111K111-D287 IonicContact NZ-OD2 3.63Å; K111-D287 PolarHBondContact NZ-OD2 3.01Å

Retrieved 287 of 287 residues in 67.6 ms (Link to these results)

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