A0A5K4FFJ3_SCHMA Loading...

Small ribosomal subunit protein bS6m

AlphaFold DB , UniProt , Accession A0A5K4FFJ3, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 138 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
1M39.7Very low80.9Confident240 Ų24076.2 Ų76.2100%1.18241%0.407SS*.  0114.90-75.9163.1163.100107N3M1-N3 PolarHBondContact O-N 2.86Å
2S54Low82.3Confident96 Ų9671.2 Ų71.267%0.67138%0.38SS*.  trans-61.3122.8173.439.50000107.7V4S2-V4 VanDerWaalsContact C-N 3.35Å; S2-V4 WeakPolarHBondContact O-CG2 3.5Å; S2-V4 PolarHBondContact O-N 3.04Å
3N65.8Low83.4Confident138 Ų13865.7 Ų65.774%0.73835%0.351SS*.  trans-63.8100.9174.5-113.6-4.6000107.2M1 I5M1-N3 PolarHBondContact O-N 2.86Å; N3-I5 HydrophobicContact CB-CG1 4.48Å; N3-I5 PolarHBondContact O-N 3.41Å; N3-I5 VanDerWaalsContact O-N 3.1Å
4V73.3Confident84.3Confident98 Ų9861.9 Ų61.959%0.59433%0.33SS*.  trans-77.297.6-179.5-179.60000106.8S2 N72S2-V4 VanDerWaalsContact C-N 3.35Å; S2-V4 WeakPolarHBondContact O-CG2 3.5Å; S2-V4 PolarHBondContact O-N 3.04Å; V4-N72 HydrophobicContact CG1-CB 3.64Å; V4-N72 VanDerWaalsContact CG1-CG 3.47Å; V4-N72 WeakPolarHBondContact CG1-ND2 3.45Å
5I86.8Confident85.1Confident46 Ų4661.1 Ų61.124%0.23634%0.335CS..EExtended strand (participates in β ladder)trans-96.1134-179.6-60.6168000108.7N3 Y7 N72 A73 H75 L98N3-I5 HydrophobicContact CB-CG1 4.48Å; N3-I5 PolarHBondContact O-N 3.41Å; N3-I5 VanDerWaalsContact O-N 3.1Å; I5-Y7 HydrophobicContact CB-CD2 4.49Å; I5-Y7 HydrophobicContact CB-CE2 3.68Å; I5-Y7 HydrophobicContact CG2-CD1 4.48Å; I5-Y7 HydrophobicContact CG2-CD2 4.22Å; I5-Y7 HydrophobicContact CG2-CE1 3.87Å; I5-Y7 HydrophobicContact CG2-CE2 3.57Å; I5-Y7 WeakPolarHBondContact CG2-OH 3.23Å; I5-Y7 WeakPolarHBondContact O-CD2 3.34Å; I5-N72 VanDerWaalsContact O-CA 3.3Å; I5-N72 WeakPolarHBondContact O-CA 3.16Å; I5-A73 PolarHBondContact O-N 3.41Å; I5-H75 HydrophobicContact CD1-CB 4.21Å; I5-L98 HydrophobicContact CG2-CD2 3.18Å
6R91.8Very high85.6Confident99 Ų9960.8 Ų60.837%0.37433%0.333SS..EExtended strand (participates in β ladder)trans-87.8130.2176.7-161.6176.7-170.3177.15.4110.4N72 K99 D101R6-N72 WeakPolarHBondContact CA-OD1 3.49Å; R6-N72 WeakPolarHBondContact CB-OD1 3.44Å; R6-N72 WeakPolarHBondContact CG-OD1 3.5Å; R6-K99 HydrophobicContact CB-CB 4.39Å; R6-K99 HydrophobicContact CG-CB 4.16Å; R6-K99 HydrophobicContact CG-CD 4.4Å; R6-K99 PolarHBondContact O-N 2.92Å; R6-D101 IonicContact CZ-OD2 2.81Å; R6-D101 IonicContact NE-OD2 2.79Å; R6-D101 IonicContact NH1-OD2 3.85Å; R6-D101 PolarHBondContact NH1-OD2 2.89Å
7Y94.5Very high86.1Confident6 Ų660.2 Ų60.22%0.02434%0.343CS..EExtended strand (participates in β ladder)trans-124.5151.1178-62.4-80000110.7I5 F71 A73 L78 A97 L98I5-Y7 HydrophobicContact CB-CD2 4.49Å; I5-Y7 HydrophobicContact CB-CE2 3.68Å; I5-Y7 HydrophobicContact CG2-CD1 4.48Å; I5-Y7 HydrophobicContact CG2-CD2 4.22Å; I5-Y7 HydrophobicContact CG2-CE1 3.87Å; I5-Y7 HydrophobicContact CG2-CE2 3.57Å; I5-Y7 WeakPolarHBondContact CG2-OH 3.23Å; I5-Y7 WeakPolarHBondContact O-CD2 3.34Å; Y7-F71 HydrophobicContact CD2-CE2 4.13Å; Y7-F71 HydrophobicContact CD2-CZ 4.37Å; Y7-F71 HydrophobicContact CG-CE2 4.4Å; Y7-F71 HydrophobicContact CG-CZ 4.19Å; Y7-F71 PolarHBondContact N-O 3.06Å; Y7-F71 PolarHBondContact O-N 3.3Å; Y7-A73 HydrophobicContact CD2-CB 4.33Å; Y7-A73 HydrophobicContact CE2-CB 4.37Å; Y7-A73 WeakPolarHBondContact CE2-O 3.44Å; Y7-L78 HydrophobicContact CD1-CD1 3.35Å; Y7-L78 HydrophobicContact CD2-CD1 3.77Å; Y7-L78 HydrophobicContact CE1-CD1 3.17Å; Y7-L78 HydrophobicContact CE2-CD1 3.61Å; Y7-L78 HydrophobicContact CG-CD1 3.64Å; Y7-A97 CarbonylContact C-O 3.28Å; Y7-A97 VanDerWaalsContact CA-O 3.25Å; Y7-A97 WeakPolarHBondContact CA-O 3.25Å; Y7-A97 WeakPolarHBondContact CD1-O 3.23Å; Y7-L98 HydrophobicContact CD1-CD2 4Å; Y7-L98 HydrophobicContact CD1-CG 4.15Å; Y7-L98 HydrophobicContact CE1-CD2 3.36Å; Y7-L98 HydrophobicContact CE1-CG 3.72Å
8E95.1Very high86.6Confident62 Ų6262.2 Ų62.229%0.2936%0.357SS..EExtended strand (participates in β ladder)trans-117.8127.8167.4-172.4169.4-106.100108.3L68 I69 N70 A96 A97 K99E8-L68 HydrophobicContact CG-CD1 4.24Å; E8-L68 HydrophobicContact CG-CD2 3.87Å; E8-L68 HydrophobicContact CG-CG 3.92Å; E8-L68 WeakPolarHBondContact OE1-CD2 3.49Å; E8-I69 CarbonylContact C-O 3.49Å; E8-I69 WeakPolarHBondContact CA-O 2.96Å; E8-N70 PolarHBondContact OE1-OD1 3.09Å; E8-A96 CarbonylContact O-C 3.57Å; E8-A96 WeakPolarHBondContact O-CA 3.47Å; E8-A97 PolarHBondContact N-O 2.84Å; E8-A97 PolarHBondContact O-N 2.8Å; E8-K99 HydrophobicContact CB-CB 4.36Å; E8-K99 HydrophobicContact CB-CD 4.37Å; E8-K99 IonicContact OE1-NZ 3.56Å; E8-K99 PolarHBondContact OE1-NZ 3.03Å
9M95.7Very high87.1Confident0 Ų064.3 Ų64.30%037%0.373CS..EExtended strand (participates in β ladder)trans-118121.2-179.7171.9-175.6-63.400111.1H28 M32 L68 I69 F71 I81 C94 F95 A96M9-H28 PolarHBondContact SD-NE2 3.04Å; M9-H28 VanDerWaalsContact SD-NE2 3.41Å; M9-M32 HydrophobicContact CE-CE 4.17Å; M9-M32 HydrophobicContact SD-CE 4.29Å; M9-M32 HydrophobicContact SD-SD 4.24Å; M9-L68 WeakPolarHBondContact O-CA 3.45Å; M9-I69 HydrophobicContact CB-CB 4.36Å; M9-I69 PolarHBondContact N-O 3.11Å; M9-I69 PolarHBondContact O-N 3.47Å; M9-F71 HydrophobicContact CB-CD1 4.39Å; M9-F71 HydrophobicContact CB-CE1 3.63Å; M9-F71 HydrophobicContact CE-CE1 3.91Å; M9-F71 HydrophobicContact CE-CZ 3.79Å; M9-I81 HydrophobicContact CE-CG2 3.72Å; M9-C94 PolarHBondContact SD-SG 3.08Å; M9-F95 CarbonylContact C-O 3.55Å; M9-F95 WeakPolarHBondContact CA-O 3.4Å; M9-F95 WeakPolarHBondContact CG-O 3.29Å; M9-A96 HydrophobicContact CB-CB 4.19Å; M9-A96 HydrophobicContact CE-CB 3.92Å
10S96.3Very high87.6Confident53 Ų5362.3 Ų62.337%0.37137%0.367SS..EExtended strand (participates in β ladder)trans-84118.5165.4640000108.9F95S10-F95 PolarHBondContact N-O 2.82Å; S10-F95 PolarHBondContact O-N 2.78Å; S10-F95 PolarHBondContact OG-O 2.73Å
11L96.8Very high88Confident0 Ų060.3 Ų60.30%036%0.355CS..EExtended strand (participates in β ladder)trans-114.5130176.3-178.872.7000109.2I13 H28 F67 I69 I91 C94L11-I13 HydrophobicContact CD2-CD1 3.93Å; L11-I13 HydrophobicContact CD2-CG1 3.95Å; L11-I13 HydrophobicContact CG-CG1 4.08Å; L11-H28 HydrophobicContact CD2-CB 4.48Å; L11-F67 HydrophobicContact CB-CB 4.26Å; L11-F67 PolarHBondContact N-O 3.42Å; L11-F67 PolarHBondContact O-N 3.01Å; L11-I69 HydrophobicContact CB-CD1 4.26Å; L11-I69 HydrophobicContact CD2-CD1 4.11Å; L11-I91 HydrophobicContact CD1-CB 4.46Å; L11-I91 HydrophobicContact CD1-CD1 3.92Å; L11-I91 HydrophobicContact CD1-CG1 4.07Å; L11-I91 HydrophobicContact CD1-CG2 3.58Å; L11-C94 HydrophobicContact CD1-CB 4.02Å
12I97.3Very high90.7Very high16 Ų1655.8 Ų55.88%0.08233%0.329CS..EExtended strand (participates in β ladder)trans-114.8114.8175-51.4-179.7000107.8L50 H65 Y66 I92 K93I12-L50 HydrophobicContact CD1-CD2 4.4Å; I12-L50 HydrophobicContact CG2-CD2 3.78Å; I12-H65 WeakPolarHBondContact CA-O 3.47Å; I12-Y66 HydrophobicContact CD1-CD1 4.01Å; I12-Y66 HydrophobicContact CD1-CE1 3.42Å; I12-Y66 VanDerWaalsContact CD1-CE1 3.42Å; I12-Y66 HydrophobicContact CG1-CD1 3.8Å; I12-Y66 HydrophobicContact CG1-CE1 3.76Å; I12-Y66 HydrophobicContact CG1-CG 4.49Å; I12-I92 HydrophobicContact CB-CB 4.24Å; I12-I92 HydrophobicContact CG2-CB 4.03Å; I12-I92 HydrophobicContact CG2-CD1 3.89Å; I12-I92 HydrophobicContact CG2-CG1 4.29Å; I12-I92 PolarHBondContact O-N 3.36Å; I12-K93 HydrophobicContact CB-CB 4.36Å; I12-K93 HydrophobicContact CD1-CB 4.12Å; I12-K93 HydrophobicContact CG1-CB 4.38Å; I12-K93 PolarHBondContact N-O 3.37Å; I12-K93 PolarHBondContact O-N 3.27Å
13I97Very high92.8Very high0 Ų053.6 Ų53.60%032%0.316CS..EExtended strand (participates in β ladder)trans-98.3147.7176.2-57.1-177.5000108.7L11 L16 A24 L25 G64 H65 F67 D90L11-I13 HydrophobicContact CD2-CD1 3.93Å; L11-I13 HydrophobicContact CD2-CG1 3.95Å; L11-I13 HydrophobicContact CG-CG1 4.08Å; I13-L16 HydrophobicContact CG2-CD1 4.31Å; I13-A24 HydrophobicContact CD1-CB 4.24Å; I13-A24 HydrophobicContact CG2-CB 4Å; I13-L25 HydrophobicContact CD1-CB 4.12Å; I13-L25 HydrophobicContact CD1-CD1 4.24Å; I13-G64 CarbonylContact O-C 3.49Å; I13-G64 WeakPolarHBondContact O-CA 3.31Å; I13-H65 HydrophobicContact CB-CB 4.47Å; I13-H65 PolarHBondContact N-O 2.87Å; I13-H65 PolarHBondContact O-N 3.44Å; I13-F67 HydrophobicContact CD1-CD2 3.82Å; I13-F67 HydrophobicContact CD1-CE2 3.72Å; I13-F67 HydrophobicContact CG1-CD2 4.1Å; I13-F67 HydrophobicContact CG1-CE2 4.23Å; I13-D90 CarbonylContact C-O 3.55Å; I13-D90 WeakPolarHBondContact CA-O 3.08Å; I13-D90 WeakPolarHBondContact CG2-O 3.28Å
14K96.5Very high94.3Very high13 Ų1347 Ų476%0.05728%0.281CS..EExtended strand (participates in β ladder)trans-50.3151.1171.1-73.5-172.5176-177.40111.4L16 E59 Q61 S89 D90 I92K14-L16 HydrophobicContact CB-CD1 4.41Å; K14-L16 HydrophobicContact CB-CD2 4.21Å; K14-L16 HydrophobicContact CB-CG 3.95Å; K14-L16 PolarHBondContact O-N 3.06Å; K14-E59 IonicContact NZ-OE2 2.7Å; K14-E59 PolarHBondContact NZ-OE2 3.18Å; K14-Q61 VanDerWaalsContact CE-NE2 3.3Å; K14-Q61 HydrophobicContact CG-CG 4.47Å; K14-S89 WeakPolarHBondContact CE-O 2.94Å; K14-S89 PolarHBondContact NZ-O 2.92Å; K14-D90 PolarHBondContact N-O 2.82Å; K14-I92 HydrophobicContact CG-CD1 4.41Å; K14-I92 HydrophobicContact CG-CG1 3.9Å
15A95.3Very high95.4Very high50 Ų5043.8 Ų43.841%0.41326%0.261SS..SBendtrans-6982.6172.100000110.1L47 E63A15-L47 HydrophobicContact CB-CD1 3.9Å; A15-E63 HydrophobicContact CB-CB 4.41Å
16L93.5Very high95.9Very high56 Ų5649.1 Ų49.129%0.29328%0.282SS..  trans-103.4165.8-179.9-60.5173.3000110.1I13 K14 I21 D90I13-L16 HydrophobicContact CG2-CD1 4.31Å; K14-L16 HydrophobicContact CB-CD1 4.41Å; K14-L16 HydrophobicContact CB-CD2 4.21Å; K14-L16 HydrophobicContact CB-CG 3.95Å; K14-L16 PolarHBondContact O-N 3.06Å; L16-I21 HydrophobicContact CB-CG1 4.01Å; L16-I21 VanDerWaalsContact O-CD1 3.32Å; L16-I21 WeakPolarHBondContact O-CD1 3.35Å; L16-D90 HydrophobicContact CD1-CB 3.99Å
17G94.5Very high96.1Very high50 Ų5050.1 Ų50.152%0.51529%0.286SS..  trans-62.7156.4166.200000111.6P19 G20 I21G17-P19 VanDerWaalsContact C-N 3.31Å; G17-P19 VanDerWaalsContact O-N 3.11Å; G17-G20 WeakPolarHBondContact O-CA 3.38Å; G17-G20 PolarHBondContact O-N 3.22Å; G17-I21 PolarHBondContact O-N 2.96Å
18T95Very high96.2Very high96 Ų9650 Ų5059%0.58929%0.286SS*.Hα-helixtrans-42-45.7176.6-46.60000115K22T18-K22 HydrophobicContact CG2-CD 4.47Å; T18-K22 WeakPolarHBondContact O-CG 3.06Å; T18-K22 PolarHBondContact O-N 3.49Å; T18-K22 VanDerWaalsContact O-N 3.11Å
19P97Very high96.2Very high102 Ų10248.5 Ų48.566%0.66228%0.279SS*.Hα-helixtrans-65.4-38.3176.624.9-34.3000113.1G17 K22 A23G17-P19 VanDerWaalsContact C-N 3.31Å; G17-P19 VanDerWaalsContact O-N 3.11Å; P19-K22 PolarHBondContact O-N 3.37Å; P19-A23 WeakPolarHBondContact O-CB 3.43Å; P19-A23 PolarHBondContact O-N 3.38Å
20G96Very high96.3Very high25 Ų2554.5 Ų54.526%0.25831%0.305SS..Hα-helixtrans-65.3-43.817800000112.1G17 K22 A23 A24G17-G20 WeakPolarHBondContact O-CA 3.38Å; G17-G20 PolarHBondContact O-N 3.22Å; G20-K22 PolarHBondContact O-N 3.23Å; G20-A23 PolarHBondContact O-N 3.26Å; G20-A24 WeakPolarHBondContact O-CB 3.25Å; G20-A24 PolarHBondContact O-N 3.04Å
21I96.6Very high96.2Very high20 Ų2052.7 Ų52.710%0.10329%0.293CS..Hα-helixtrans-60.5-48.3175.8-58.1165.2000110.5L16 G17 A23 A24 L25 H65 F67L16-I21 HydrophobicContact CB-CG1 4.01Å; L16-I21 VanDerWaalsContact O-CD1 3.32Å; L16-I21 WeakPolarHBondContact O-CD1 3.35Å; G17-I21 PolarHBondContact O-N 2.96Å; I21-A23 VanDerWaalsContact C-N 3.29Å; I21-A23 PolarHBondContact O-N 3.48Å; I21-A24 PolarHBondContact O-N 2.86Å; I21-L25 VanDerWaalsContact O-CB 3.25Å; I21-L25 WeakPolarHBondContact O-CB 3.48Å; I21-L25 PolarHBondContact O-N 3.32Å; I21-H65 WeakPolarHBondContact CD1-CD2 3.39Å; I21-H65 WeakPolarHBondContact CD1-NE2 3.35Å; I21-F67 HydrophobicContact CG2-CE2 3.75Å; I21-F67 HydrophobicContact CG2-CZ 3.57Å
22K96.7Very high96.1Very high145 Ų14552.7 Ų52.763%0.6329%0.293SS*.Hα-helixtrans-60-41178.7-75.1-180178.9-177.40111.6T18 P19 G20 K26T18-K22 HydrophobicContact CG2-CD 4.47Å; T18-K22 WeakPolarHBondContact O-CG 3.06Å; T18-K22 PolarHBondContact O-N 3.49Å; T18-K22 VanDerWaalsContact O-N 3.11Å; P19-K22 PolarHBondContact O-N 3.37Å; G20-K22 PolarHBondContact O-N 3.23Å; K22-K26 WeakPolarHBondContact O-CB 3.41Å; K22-K26 PolarHBondContact O-N 3.42Å
23A97.3Very high96Very high50 Ų5056.7 Ų56.741%0.41331%0.314SS..Hα-helixtrans-65.1-49.9177.600000111.7P19 G20 I21 L25 K26 R27P19-A23 WeakPolarHBondContact O-CB 3.43Å; P19-A23 PolarHBondContact O-N 3.38Å; G20-A23 PolarHBondContact O-N 3.26Å; I21-A23 VanDerWaalsContact C-N 3.29Å; I21-A23 PolarHBondContact O-N 3.48Å; A23-L25 PolarHBondContact O-N 3.03Å; A23-K26 PolarHBondContact O-N 2.87Å; A23-R27 WeakPolarHBondContact O-CG 3.21Å; A23-R27 PolarHBondContact O-N 3.26Å
24A96.5Very high95.9Very high0 Ų063 Ų630%034%0.343CS..Hα-helixtrans-60.1-47.6178.700000111.6I13 G20 I21 K26 R27 H28 D90I13-A24 HydrophobicContact CD1-CB 4.24Å; I13-A24 HydrophobicContact CG2-CB 4Å; G20-A24 WeakPolarHBondContact O-CB 3.25Å; G20-A24 PolarHBondContact O-N 3.04Å; I21-A24 PolarHBondContact O-N 2.86Å; A24-K26 PolarHBondContact O-N 3.1Å; A24-R27 PolarHBondContact O-N 3.39Å; A24-H28 PolarHBondContact O-N 3.36Å; A24-D90 HydrophobicContact CB-CB 3.86Å
25L96.7Very high95.7Very high31 Ų3164.4 Ų64.416%0.16235%0.351CS..Hα-helixtrans-60.2-47176.4-170.7109000111.2I13 I21 A23 R27 H28 L29 V42 F67I13-L25 HydrophobicContact CD1-CB 4.12Å; I13-L25 HydrophobicContact CD1-CD1 4.24Å; I21-L25 VanDerWaalsContact O-CB 3.25Å; I21-L25 WeakPolarHBondContact O-CB 3.48Å; I21-L25 PolarHBondContact O-N 3.32Å; A23-L25 PolarHBondContact O-N 3.03Å; L25-R27 PolarHBondContact O-N 2.98Å; L25-H28 PolarHBondContact O-N 2.01Å; L25-L29 HydrophobicContact CD2-CD1 3.64Å; L25-L29 HydrophobicContact CG-CD1 3.92Å; L25-L29 HydrophobicContact CG-CG 4.3Å; L25-L29 WeakPolarHBondContact O-CB 3.41Å; L25-L29 VanDerWaalsContact O-CG 3.29Å; L25-L29 WeakPolarHBondContact O-CG 3.44Å; L25-L29 PolarHBondContact O-N 3.09Å; L25-V42 HydrophobicContact CD1-CG1 4.32Å; L25-V42 HydrophobicContact CD2-CG1 4.5Å; L25-F67 HydrophobicContact CD1-CB 4.32Å; L25-F67 HydrophobicContact CD1-CD1 3.52Å; L25-F67 HydrophobicContact CD1-CD2 3.85Å; L25-F67 HydrophobicContact CD1-CE1 3.68Å; L25-F67 HydrophobicContact CD1-CE2 3.98Å; L25-F67 HydrophobicContact CD1-CG 3.61Å; L25-F67 HydrophobicContact CD1-CZ 3.91Å
26K96.9Very high95.4Very high158 Ų15863.8 Ų63.869%0.68735%0.349SS*.Hα-helixtrans-61.2-42.4178.9-175.9177.3179.9179.40112.1K22 A23 A24 K30K22-K26 WeakPolarHBondContact O-CB 3.41Å; K22-K26 PolarHBondContact O-N 3.42Å; A23-K26 PolarHBondContact O-N 2.87Å; A24-K26 PolarHBondContact O-N 3.1Å; K26-K30 VanDerWaalsContact O-CB 3.23Å; K26-K30 WeakPolarHBondContact O-CB 3.3Å; K26-K30 PolarHBondContact O-N 3.22Å
27R96.4Very high95.4Very high119 Ų11961.2 Ų61.245%0.44934%0.337SS..Hα-helixtrans-60.6-46.1174.8-72.1-168.7-45.9-141.8-7.9111.2A23 A24 L25 K30 S31 D88 D90A23-R27 WeakPolarHBondContact O-CG 3.21Å; A23-R27 PolarHBondContact O-N 3.26Å; A24-R27 PolarHBondContact O-N 3.39Å; L25-R27 PolarHBondContact O-N 2.98Å; R27-K30 PolarHBondContact O-N 3.5Å; R27-S31 WeakPolarHBondContact O-CB 3.38Å; R27-S31 PolarHBondContact O-N 3.41Å; R27-D88 IonicContact CZ-OD1 2.77Å; R27-D88 IonicContact CZ-OD2 2.97Å; R27-D88 IonicContact NE-OD2 3.75Å; R27-D88 PolarHBondContact NE-OD2 3.36Å; R27-D88 VanDerWaalsContact NH2-CG 3.25Å; R27-D88 IonicContact NH2-OD1 3.5Å; R27-D88 PolarHBondContact NH2-OD1 3.29Å; R27-D88 IonicContact NH2-OD2 3.34Å; R27-D88 PolarHBondContact NH2-OD2 3.16Å; R27-D90 IonicContact CZ-OD2 2.69Å; R27-D90 IonicContact NH1-OD2 3.5Å; R27-D90 IonicContact NH2-OD2 3.72Å; R27-D90 PolarHBondContact NH2-OD2 2.78Å
28H96.3Very high95.4Very high5 Ų565.2 Ų65.22%0.02334%0.342CS..Hα-helixtrans-63.5-49.9-179.1-171.159.8000111.8M9 L11 A24 L25 K30 S31 M32 I91M9-H28 PolarHBondContact SD-NE2 3.04Å; M9-H28 VanDerWaalsContact SD-NE2 3.41Å; L11-H28 HydrophobicContact CD2-CB 4.48Å; A24-H28 PolarHBondContact O-N 3.36Å; L25-H28 PolarHBondContact O-N 2.01Å; H28-K30 VanDerWaalsContact C-N 3.34Å; H28-K30 PolarHBondContact O-N 3.42Å; H28-S31 WeakPolarHBondContact O-CB 3.5Å; H28-S31 PolarHBondContact O-N 3.14Å; H28-M32 WeakPolarHBondContact O-CG 3.39Å; H28-M32 PolarHBondContact O-N 2.84Å; H28-I91 HydrophobicContact CB-CD1 4.2Å
29L96.7Very high95.4Very high30 Ų3063.1 Ų63.116%0.15733%0.326CS..Hα-helixtrans-61.9-40.6178.2-66.4176.4000112.1L25 S31 M32 L33 L39 V42 I69L25-L29 HydrophobicContact CD2-CD1 3.64Å; L25-L29 HydrophobicContact CG-CD1 3.92Å; L25-L29 HydrophobicContact CG-CG 4.3Å; L25-L29 WeakPolarHBondContact O-CB 3.41Å; L25-L29 VanDerWaalsContact O-CG 3.29Å; L25-L29 WeakPolarHBondContact O-CG 3.44Å; L25-L29 PolarHBondContact O-N 3.09Å; L29-S31 VanDerWaalsContact C-N 3.35Å; L29-S31 PolarHBondContact O-N 3.04Å; L29-M32 HydrophobicContact CD2-SD 4.33Å; L29-M32 WeakPolarHBondContact O-CB 3.5Å; L29-M32 PolarHBondContact O-N 3.21Å; L29-L33 WeakPolarHBondContact O-CG 3.43Å; L29-L33 PolarHBondContact O-N 2.88Å; L29-L39 HydrophobicContact CB-CD1 4.18Å; L29-L39 HydrophobicContact CD2-CD1 3.95Å; L29-L39 HydrophobicContact CD2-CD2 3.66Å; L29-L39 HydrophobicContact CD2-CG 4.49Å; L29-V42 HydrophobicContact CD1-CG2 4.23Å; L29-V42 HydrophobicContact CD2-CG2 3.95Å; L29-I69 HydrophobicContact CD2-CD1 3.96Å; L29-I69 HydrophobicContact CD2-CG1 4.49Å; L29-I69 HydrophobicContact CD2-CG2 4.32Å
30K96.6Very high95.2Very high125 Ų12563.7 Ų63.754%0.54332%0.319SS..Hα-helixtrans-61.5-44.7175.2-170.8-178.4-179.8-164.50111.3K26 R27 H28 M32 L33 E34K26-K30 VanDerWaalsContact O-CB 3.23Å; K26-K30 WeakPolarHBondContact O-CB 3.3Å; K26-K30 PolarHBondContact O-N 3.22Å; R27-K30 PolarHBondContact O-N 3.5Å; H28-K30 VanDerWaalsContact C-N 3.34Å; H28-K30 PolarHBondContact O-N 3.42Å; K30-M32 VanDerWaalsContact C-N 3.28Å; K30-M32 PolarHBondContact O-N 3.03Å; K30-L33 PolarHBondContact O-N 3.23Å; K30-E34 WeakPolarHBondContact CE-OE1 3.15Å; K30-E34 IonicContact NZ-OE1 3.61Å; K30-E34 WeakPolarHBondContact O-CG 3.48Å; K30-E34 PolarHBondContact O-N 2.78Å
31S95.1Very high95.2Very high15 Ų1565.7 Ų65.711%0.10532%0.323CS..Hα-helixtrans-62.8-34.8175.9-1730000112.3R27 H28 L29 N35R27-S31 WeakPolarHBondContact O-CB 3.38Å; R27-S31 PolarHBondContact O-N 3.41Å; H28-S31 WeakPolarHBondContact O-CB 3.5Å; H28-S31 PolarHBondContact O-N 3.14Å; L29-S31 VanDerWaalsContact C-N 3.35Å; L29-S31 PolarHBondContact O-N 3.04Å; S31-N35 PolarHBondContact O-N 3.12Å; S31-N35 PolarHBondContact O-ND2 2.9Å
32M95Very high95.2Very high1 Ų167.3 Ų67.31%0.00533%0.334CS..Hα-helixtrans-63.6-48.6173.5-70.1178.972.700111.5M9 H28 L29 K30 E34 N35 G36 A37 L39 I69 F71 I81M9-M32 HydrophobicContact CE-CE 4.17Å; M9-M32 HydrophobicContact SD-CE 4.29Å; M9-M32 HydrophobicContact SD-SD 4.24Å; H28-M32 WeakPolarHBondContact O-CG 3.39Å; H28-M32 PolarHBondContact O-N 2.84Å; L29-M32 HydrophobicContact CD2-SD 4.33Å; L29-M32 WeakPolarHBondContact O-CB 3.5Å; L29-M32 PolarHBondContact O-N 3.21Å; K30-M32 VanDerWaalsContact C-N 3.28Å; K30-M32 PolarHBondContact O-N 3.03Å; M32-E34 VanDerWaalsContact C-N 3.34Å; M32-E34 PolarHBondContact O-N 3.29Å; M32-N35 CarbonylContact O-C 3.46Å; M32-N35 PolarHBondContact O-N 3.47Å; M32-N35 VanDerWaalsContact O-N 3.11Å; M32-G36 PolarHBondContact O-N 2.89Å; M32-A37 HydrophobicContact CB-CB 3.93Å; M32-A37 HydrophobicContact CE-CB 4.45Å; M32-A37 WeakPolarHBondContact O-CB 3.44Å; M32-A37 PolarHBondContact O-N 3.2Å; M32-L39 HydrophobicContact CE-CD2 3.95Å; M32-L39 HydrophobicContact SD-CD2 4.16Å; M32-I69 HydrophobicContact CE-CG2 4Å; M32-I69 HydrophobicContact SD-CD1 4.33Å; M32-I69 HydrophobicContact SD-CG2 4.32Å; M32-F71 HydrophobicContact CE-CB 4.18Å; M32-F71 HydrophobicContact CE-CD1 3.49Å; M32-F71 VanDerWaalsContact CE-CD1 3.49Å; M32-F71 HydrophobicContact CE-CD2 3.73Å; M32-F71 HydrophobicContact CE-CE1 3.71Å; M32-F71 HydrophobicContact CE-CE2 3.91Å; M32-F71 HydrophobicContact CE-CG 3.51Å; M32-F71 HydrophobicContact CE-CZ 3.91Å; M32-I81 HydrophobicContact CG-CG2 3.76Å
33L94.7Very high95.2Very high99 Ų9964.4 Ų64.452%0.51832%0.323SS..Hα-helixtrans-59.5-43.1178.5-69.1170.5000112L29 K30 N35 G36 A37 L39L29-L33 WeakPolarHBondContact O-CG 3.43Å; L29-L33 PolarHBondContact O-N 2.88Å; K30-L33 PolarHBondContact O-N 3.23Å; L33-N35 PolarHBondContact O-N 2.74Å; L33-G36 PolarHBondContact O-N 3.02Å; L33-G36 VanDerWaalsContact O-N 3.09Å; L33-A37 WeakPolarHBondContact CD2-O 3.46Å; L33-L39 HydrophobicContact CD1-CD1 4.15Å; L33-L39 HydrophobicContact CD2-CD1 3.75Å; L33-L39 HydrophobicContact CD2-CG 4.26Å; L33-L39 HydrophobicContact CG-CD1 3.76Å
34E94.4Very high95.2Very high132 Ų13267 Ų6762%0.61733%0.33SS*.Hα-helixtrans-62.9-28.2176.9-72.5170.3-179.900112.9K30 M32 G36K30-E34 WeakPolarHBondContact CE-OE1 3.15Å; K30-E34 IonicContact NZ-OE1 3.61Å; K30-E34 WeakPolarHBondContact O-CG 3.48Å; K30-E34 PolarHBondContact O-N 2.78Å; M32-E34 VanDerWaalsContact C-N 3.34Å; M32-E34 PolarHBondContact O-N 3.29Å; E34-G36 VanDerWaalsContact C-N 3.29Å; E34-G36 PolarHBondContact O-N 3.36Å
35N91.9Very high95.2Very high44 Ų4470.4 Ų70.424%0.23535%0.348CS..THydrogen-bonded Turntrans-91.518.6176.5-69.4-59.5000113.1S31 M32 L33 S77 Q80 I81S31-N35 PolarHBondContact O-N 3.12Å; S31-N35 PolarHBondContact O-ND2 2.9Å; M32-N35 CarbonylContact O-C 3.46Å; M32-N35 PolarHBondContact O-N 3.47Å; M32-N35 VanDerWaalsContact O-N 3.11Å; L33-N35 PolarHBondContact O-N 2.74Å; N35-S77 WeakPolarHBondContact O-CB 3.39Å; N35-S77 PolarHBondContact O-OG 2.81Å; N35-Q80 WeakPolarHBondContact OD1-CG 3.39Å; N35-I81 HydrophobicContact CB-CD1 4.4Å; N35-I81 HydrophobicContact CB-CG1 3.88Å
36G90.7Very high95.1Very high36 Ų3670.1 Ų70.137%0.37135%0.352SS..THydrogen-bonded Turntrans76.321.8175.300000114.6M32 L33 E34M32-G36 PolarHBondContact O-N 2.89Å; L33-G36 PolarHBondContact O-N 3.02Å; L33-G36 VanDerWaalsContact O-N 3.09Å; E34-G36 VanDerWaalsContact C-N 3.29Å; E34-G36 PolarHBondContact O-N 3.36Å
37A93.6Very high95.1Very high3 Ų366.5 Ų66.53%0.02534%0.34CS..  trans-82.4139.117000000111M32 L33 F71 N72 A73 I81M32-A37 HydrophobicContact CB-CB 3.93Å; M32-A37 HydrophobicContact CE-CB 4.45Å; M32-A37 WeakPolarHBondContact O-CB 3.44Å; M32-A37 PolarHBondContact O-N 3.2Å; L33-A37 WeakPolarHBondContact CD2-O 3.46Å; A37-F71 HydrophobicContact CB-CD2 3.82Å; A37-F71 HydrophobicContact CB-CE2 4.46Å; A37-N72 CarbonylContact C-O 3.58Å; A37-N72 VanDerWaalsContact CA-O 3.26Å; A37-N72 WeakPolarHBondContact CA-O 3.43Å; A37-A73 HydrophobicContact CB-CB 4.33Å; A37-I81 HydrophobicContact CB-CD1 4.1Å
38H94.4Very high95.2Very high134 Ų13468.1 Ų68.162%0.6235%0.346SS*.EExtended strand (participates in β ladder)trans-107.8112.1171-75.7-115.2000109.3F71 N72H38-F71 CarbonylContact O-C 3.6Å; H38-F71 WeakPolarHBondContact O-CA 3.46Å; H38-F71 VanDerWaalsContact O-CB 3.31Å; H38-F71 WeakPolarHBondContact O-CB 3.33Å; H38-N72 HydrophobicContact CB-CB 4.45Å; H38-N72 PolarHBondContact N-O 3.46Å; H38-N72 PolarHBondContact O-N 3.4Å
39L94.8Very high95.2Very high51 Ų5177.2 Ų77.227%0.26738%0.38SS..EExtended strand (participates in β ladder)trans-83133.8-177-63.3156.2000110.7L29 M32 L33 I69 F71L29-L39 HydrophobicContact CB-CD1 4.18Å; L29-L39 HydrophobicContact CD2-CD1 3.95Å; L29-L39 HydrophobicContact CD2-CD2 3.66Å; L29-L39 HydrophobicContact CD2-CG 4.49Å; M32-L39 HydrophobicContact CE-CD2 3.95Å; M32-L39 HydrophobicContact SD-CD2 4.16Å; L33-L39 HydrophobicContact CD1-CD1 4.15Å; L33-L39 HydrophobicContact CD2-CD1 3.75Å; L33-L39 HydrophobicContact CD2-CG 4.26Å; L33-L39 HydrophobicContact CG-CD1 3.76Å; L39-I69 HydrophobicContact CD2-CG2 3.45Å; L39-I69 VanDerWaalsContact CD2-CG2 3.45Å; L39-F71 HydrophobicContact CD2-CB 4.17Å
40F92.5Very high95.2Very high115 Ų11576.5 Ų76.550%0.50438%0.376SS..EExtended strand (participates in β ladder)trans-105.5-44.7174.4-62.6-73000112.9N70 N72F40-N70 HydrophobicContact CB-CB 4.5Å; F40-N70 PolarHBondContact N-O 3.23Å; F40-N72 HydrophobicContact CE2-CB 3.89Å; F40-N72 WeakPolarHBondContact CE2-ND2 3.42Å; F40-N72 WeakPolarHBondContact CE2-OD1 3.42Å; F40-N72 HydrophobicContact CZ-CB 4.24Å; F40-N72 WeakPolarHBondContact CZ-ND2 3.38Å
41N94.9Very high95.1Very high66 Ų6675.4 Ų75.435%0.35338%0.382SS..EExtended strand (participates in β ladder)trans-150.3141.9-172.3-172.816.6000109.8E43 I69 N70N41-E43 WeakPolarHBondContact ND2-CG 3.41Å; N41-E43 PolarHBondContact ND2-OE1 3.48Å; N41-I69 WeakPolarHBondContact O-CA 3.4Å; N41-N70 HydrophobicContact CB-CB 4.25Å; N41-N70 PolarHBondContact N-O 3.49Å; N41-N70 PolarHBondContact O-N 2.76Å
42V96.7Very high95.1Very high54 Ų5480.5 Ų80.533%0.32741%0.408SS..EExtended strand (participates in β ladder)trans-132106.8176.1-179.70000107.3L25 L29 L68 I69L25-V42 HydrophobicContact CD1-CG1 4.32Å; L25-V42 HydrophobicContact CD2-CG1 4.5Å; L29-V42 HydrophobicContact CD1-CG2 4.23Å; L29-V42 HydrophobicContact CD2-CG2 3.95Å; V42-L68 WeakPolarHBondContact CA-O 3.46Å; V42-I69 HydrophobicContact CG1-CG1 4.28Å; V42-I69 HydrophobicContact CG2-CG1 4.43Å; V42-I69 HydrophobicContact CG2-CG2 4.33Å
43E97.2Very high95Very high85 Ų8583.7 Ų83.740%0.39743%0.427SS..EExtended strand (participates in β ladder)trans-101.7140.4-178.6-64.3179.4179.700110.6N41 F67 L68N41-E43 WeakPolarHBondContact ND2-CG 3.41Å; N41-E43 PolarHBondContact ND2-OE1 3.48Å; E43-F67 CarbonylContact O-C 3.58Å; E43-F67 VanDerWaalsContact O-CA 3.26Å; E43-F67 WeakPolarHBondContact O-CA 3.38Å; E43-L68 HydrophobicContact CB-CB 4.32Å; E43-L68 PolarHBondContact N-O 3.44Å; E43-L68 PolarHBondContact O-N 3.41Å
44N96.4Very high95Very high105 Ų10581.1 Ų81.156%0.56141%0.412SS*.EExtended strand (participates in β ladder)trans-100.7112.9174.3-1782.3000109.3G46 F67N44-G46 VanDerWaalsContact C-N 3.32Å; N44-G46 WeakPolarHBondContact OD1-CA 3.09Å; N44-G46 PolarHBondContact OD1-N 2.93Å; N44-F67 HydrophobicContact CB-CD1 4.11Å; N44-F67 HydrophobicContact CB-CE1 3.79Å
45L96.9Very high94.9Very high71 Ų7181 Ų8137%0.37241%0.411SS..EExtended strand (participates in β ladder)trans-89.1-1.3178.9-58.4176.3000112.9R48 Y66 L68L45-R48 PolarHBondContact O-NE 3.04Å; L45-Y66 WeakPolarHBondContact CB-O 3.19Å; L45-Y66 PolarHBondContact N-O 3.03Å; L45-L68 HydrophobicContact CD1-CB 4.14Å; L45-L68 HydrophobicContact CD1-CD1 4.42Å; L45-L68 HydrophobicContact CG-CB 4.42Å
46G95.8Very high94.9Very high25 Ų2579.7 Ų79.726%0.25841%0.405SS..EExtended strand (participates in β ladder)trans90.7179174.900000114.7N44 H65 Y66N44-G46 VanDerWaalsContact C-N 3.32Å; N44-G46 WeakPolarHBondContact OD1-CA 3.09Å; N44-G46 PolarHBondContact OD1-N 2.93Å; G46-H65 WeakPolarHBondContact O-CA 3.39Å; G46-Y66 PolarHBondContact O-N 3.34Å
47L97.1Very high94.7Very high82 Ų8284.5 Ų84.543%0.42942%0.418SS..EExtended strand (participates in β ladder)trans-79.7125.1171.2-177.461.2000109A15 E63A15-L47 HydrophobicContact CB-CD1 3.9Å; L47-E63 HydrophobicContact CD1-CB 4Å
48R96.8Very high94.5Very high153 Ų15388 Ų8858%0.57746%0.455SS*.EExtended strand (participates in β ladder)trans-138.7156.6175.4-57.6-178.1-176.6-162.8-2.6110.8L45 E63 G64 Y66L45-R48 PolarHBondContact O-NE 3.04Å; R48-E63 WeakPolarHBondContact O-CA 3.43Å; R48-G64 PolarHBondContact N-O 2.84Å; R48-G64 PolarHBondContact O-N 3.02Å; R48-Y66 HydrophobicContact CB-CD2 3.99Å; R48-Y66 HydrophobicContact CB-CE2 3.72Å; R48-Y66 HydrophobicContact CG-CD2 4.36Å
49R96.7Very high94.5Very high195 Ų19586.9 Ų86.974%0.73645%0.45SS*.EExtended strand (participates in β ladder)trans-61.8139.9167.5-80.1-173.6178.1-167.63.7110.8Y62 E63R49-Y62 WeakPolarHBondContact CA-O 3.2Å; R49-E63 HydrophobicContact CG-CG 3.78Å; R49-E63 IonicContact NE-OE1 3.88Å
50L96.1Very high94.5Very high16 Ų1692.1 Ų92.18%0.08447%0.466CS..EExtended strand (participates in β ladder)trans-76.2145.9175.8-59.1174.3000108.9I12 N52 F54 Q61 Y62 Y66 I92I12-L50 HydrophobicContact CD1-CD2 4.4Å; I12-L50 HydrophobicContact CG2-CD2 3.78Å; L50-N52 VanDerWaalsContact CB-O 3.29Å; L50-N52 WeakPolarHBondContact CB-O 3.38Å; L50-N52 PolarHBondContact O-N 2.96Å; L50-F54 HydrophobicContact CB-CD2 4.03Å; L50-F54 HydrophobicContact CB-CE2 4.14Å; L50-F54 HydrophobicContact CD1-CD2 3.7Å; L50-F54 HydrophobicContact CD1-CE2 4.47Å; L50-F54 HydrophobicContact CG-CD2 4.3Å; L50-Q61 HydrophobicContact CD1-CB 3.81Å; L50-Y62 PolarHBondContact N-O 3.18Å; L50-Y66 HydrophobicContact CD2-CE2 4.16Å; L50-Y66 WeakPolarHBondContact CD2-OH 3.41Å; L50-I92 HydrophobicContact CD1-CD1 3.79Å; L50-I92 HydrophobicContact CD1-CG2 4.36Å; L50-I92 HydrophobicContact CD2-CD1 4.48Å
51P94.9Very high94.7Very high102 Ų10287.6 Ų87.666%0.66245%0.446SS*.EExtended strand (participates in β ladder)trans-62.4-34.3179.322.8-32.4000112.1
52N95Very high94.7Very high121 Ų12190.8 Ų90.865%0.64745%0.454SS*.EExtended strand (participates in β ladder)trans-133.2159.5174.6-66.6-27.2000109.3L50 F54L50-N52 VanDerWaalsContact CB-O 3.29Å; L50-N52 WeakPolarHBondContact CB-O 3.38Å; L50-N52 PolarHBondContact O-N 2.96Å; N52-F54 WeakPolarHBondContact O-CD2 3.46Å; N52-F54 WeakPolarHBondContact O-CE2 3.13Å; N52-F54 PolarHBondContact O-N 3.41Å
53V94.4Very high94.7Very high68 Ų6891.7 Ų91.741%0.41246%0.455SS..EExtended strand (participates in β ladder)trans-69.7123.9171.2-176.50000109R60 Y62V53-R60 HydrophobicContact CG1-CB 3.9Å; V53-R60 HydrophobicContact CG1-CG 4.21Å; V53-Y62 HydrophobicContact CB-CE1 4.47Å; V53-Y62 HydrophobicContact CG1-CD1 4.37Å; V53-Y62 HydrophobicContact CG1-CE1 4.02Å; V53-Y62 HydrophobicContact CG2-CD1 3.71Å; V53-Y62 HydrophobicContact CG2-CE1 3.57Å
54F94.4Very high94.7Very high46 Ų4687.6 Ų87.620%0.20244%0.436CS..EExtended strand (participates in β ladder)trans-101.8145.1175.6-71.4-87.5000110.5L50 N52 R60 Q61 I92 K93L50-F54 HydrophobicContact CB-CD2 4.03Å; L50-F54 HydrophobicContact CB-CE2 4.14Å; L50-F54 HydrophobicContact CD1-CD2 3.7Å; L50-F54 HydrophobicContact CD1-CE2 4.47Å; L50-F54 HydrophobicContact CG-CD2 4.3Å; N52-F54 WeakPolarHBondContact O-CD2 3.46Å; N52-F54 WeakPolarHBondContact O-CE2 3.13Å; N52-F54 PolarHBondContact O-N 3.41Å; F54-R60 CarbonylContact O-C 3.48Å; F54-R60 WeakPolarHBondContact O-CA 3.35Å; F54-Q61 HydrophobicContact CB-CB 4.46Å; F54-Q61 PolarHBondContact N-O 3.47Å; F54-Q61 VanDerWaalsContact N-O 3.16Å; F54-Q61 PolarHBondContact O-N 2.9Å; F54-I92 HydrophobicContact CB-CG2 3.72Å; F54-I92 HydrophobicContact CD1-CG2 4.45Å; F54-I92 HydrophobicContact CD2-CG2 4.2Å; F54-I92 HydrophobicContact CG-CG2 3.87Å; F54-K93 HydrophobicContact CE1-CD 4Å; F54-K93 HydrophobicContact CZ-CD 4.17Å
55H92.8Very high94.8Very high129 Ų12984 Ų8460%0.59742%0.415SS*.EExtended strand (participates in β ladder)trans-105.6115.9173.4-63.771000109.1E59H55-E59 WeakPolarHBondContact CA-O 3.26Å
56V91.3Very high94.8Very high17 Ų1782.7 Ų82.710%0.10341%0.406CS..EExtended strand (participates in β ladder)trans-126.7113.2-177.9-175.90000108G58 E59 Q61 I92V56-G58 VanDerWaalsContact C-N 3.26Å; V56-G58 PolarHBondContact O-N 2.99Å; V56-E59 PolarHBondContact N-O 3.44Å; V56-E59 PolarHBondContact O-N 2.7Å; V56-E59 VanDerWaalsContact O-N 3.08Å; V56-Q61 HydrophobicContact CB-CG 4.17Å; V56-Q61 HydrophobicContact CG2-CG 3.91Å; V56-I92 HydrophobicContact CG2-CB 4.18Å; V56-I92 HydrophobicContact CG2-CG1 4.32Å; V56-I92 HydrophobicContact CG2-CG2 3.85Å
57Q86.6Confident94.9Very high136 Ų13682.2 Ų82.264%0.63640%0.397SS*.THydrogen-bonded Turntrans51.141.9-177.7-60.8-168.1-15.800113.9E59 S89Q57-E59 VanDerWaalsContact C-N 3.27Å; Q57-E59 PolarHBondContact O-N 2.81Å; Q57-S89 VanDerWaalsContact NE2-CA 3.29Å; Q57-S89 VanDerWaalsContact NE2-CB 3.3Å
58G89.8Confident94.9Very high78 Ų7879.8 Ų79.880%0.80438%0.384SS*.THydrogen-bonded Turntrans85-10.3178.700000114.9V56V56-G58 VanDerWaalsContact C-N 3.26Å; V56-G58 PolarHBondContact O-N 2.99Å
59E92.7Very high94.9Very high110 Ų11072.5 Ų72.551%0.51436%0.357SS..EExtended strand (participates in β ladder)trans-96.1140.6177-64.9176.1163.600111.8K14 H55 V56 Q57 Q61K14-E59 IonicContact NZ-OE2 2.7Å; K14-E59 PolarHBondContact NZ-OE2 3.18Å; H55-E59 WeakPolarHBondContact CA-O 3.26Å; V56-E59 PolarHBondContact N-O 3.44Å; V56-E59 PolarHBondContact O-N 2.7Å; V56-E59 VanDerWaalsContact O-N 3.08Å; Q57-E59 VanDerWaalsContact C-N 3.27Å; Q57-E59 PolarHBondContact O-N 2.81Å; E59-Q61 PolarHBondContact OE2-NE2 2.8Å
60R95.3Very high94.9Very high161 Ų16163.6 Ų63.661%0.60832%0.324SS*.EExtended strand (participates in β ladder)trans-83.8124.7172.1-66.7-177.2-174.9-171.20.3109.9V53 F54 Y62V53-R60 HydrophobicContact CG1-CB 3.9Å; V53-R60 HydrophobicContact CG1-CG 4.21Å; F54-R60 CarbonylContact O-C 3.48Å; F54-R60 WeakPolarHBondContact O-CA 3.35Å; R60-Y62 HydrophobicContact CB-CE2 3.94Å
61Q96.3Very high94.8Very high20 Ų2062.9 Ų62.99%0.09332%0.32CS..EExtended strand (participates in β ladder)trans-105.1126.6177.6-53.7-60.1-38.700109.4K14 L50 F54 V56 E59 I92K14-Q61 VanDerWaalsContact CE-NE2 3.3Å; K14-Q61 HydrophobicContact CG-CG 4.47Å; L50-Q61 HydrophobicContact CD1-CB 3.81Å; F54-Q61 HydrophobicContact CB-CB 4.46Å; F54-Q61 PolarHBondContact N-O 3.47Å; F54-Q61 VanDerWaalsContact N-O 3.16Å; F54-Q61 PolarHBondContact O-N 2.9Å; V56-Q61 HydrophobicContact CB-CG 4.17Å; V56-Q61 HydrophobicContact CG2-CG 3.91Å; E59-Q61 PolarHBondContact OE2-NE2 2.8Å; Q61-I92 HydrophobicContact CB-CD1 3.84Å; Q61-I92 HydrophobicContact CG-CD1 4.04Å; Q61-I92 HydrophobicContact CG-CG1 4.26Å
62Y96.6Very high94.8Very high132 Ų13259.4 Ų59.452%0.51830%0.296SS..EExtended strand (participates in β ladder)trans-109.6-24.7178.1-59.1-85.7000112.2R49 L50 V53 R60R49-Y62 WeakPolarHBondContact CA-O 3.2Å; L50-Y62 PolarHBondContact N-O 3.18Å; V53-Y62 HydrophobicContact CB-CE1 4.47Å; V53-Y62 HydrophobicContact CG1-CD1 4.37Å; V53-Y62 HydrophobicContact CG1-CE1 4.02Å; V53-Y62 HydrophobicContact CG2-CD1 3.71Å; V53-Y62 HydrophobicContact CG2-CE1 3.57Å; R60-Y62 HydrophobicContact CB-CE2 3.94Å
63E96.9Very high94.7Very high73 Ų7353.9 Ų53.934%0.34127%0.267SS..EExtended strand (participates in β ladder)trans-135.6153.9-177.3-62-173.7171.800109.3A15 L47 R48 R49A15-E63 HydrophobicContact CB-CB 4.41Å; L47-E63 HydrophobicContact CD1-CB 4Å; R48-E63 WeakPolarHBondContact O-CA 3.43Å; R49-E63 HydrophobicContact CG-CG 3.78Å; R49-E63 IonicContact NE-OE1 3.88Å
64G96.9Very high94.4Very high0 Ų053.4 Ų53.40%027%0.265CS..EExtended strand (participates in β ladder)trans-157.4153.917800000112.1I13 R48 Y66I13-G64 CarbonylContact O-C 3.49Å; I13-G64 WeakPolarHBondContact O-CA 3.31Å; R48-G64 PolarHBondContact N-O 2.84Å; R48-G64 PolarHBondContact O-N 3.02Å; G64-Y66 VanDerWaalsContact O-CD2 3.28Å; G64-Y66 WeakPolarHBondContact O-CD2 3.18Å
65H97.6Very high94.1Very high28 Ų2856.9 Ų56.913%0.1328%0.282CS..EExtended strand (participates in β ladder)trans-84121.3172.3-77.9-84.4000109.9I12 I13 I21 G46 F67I12-H65 WeakPolarHBondContact CA-O 3.47Å; I13-H65 HydrophobicContact CB-CB 4.47Å; I13-H65 PolarHBondContact N-O 2.87Å; I13-H65 PolarHBondContact O-N 3.44Å; I21-H65 WeakPolarHBondContact CD1-CD2 3.39Å; I21-H65 WeakPolarHBondContact CD1-NE2 3.35Å; G46-H65 WeakPolarHBondContact O-CA 3.39Å; H65-F67 HydrophobicContact CB-CD2 4.41Å; H65-F67 HydrophobicContact CB-CE2 3.72Å; H65-F67 HydrophobicContact CB-CZ 4.43Å
66Y97.7Very high93.8Very high45 Ų4557.2 Ų57.218%0.17629%0.288CS..EExtended strand (participates in β ladder)trans-92.2128.7179.3-71.7-102.3000109.9I12 L45 G46 R48 L50 G64I12-Y66 HydrophobicContact CD1-CD1 4.01Å; I12-Y66 HydrophobicContact CD1-CE1 3.42Å; I12-Y66 VanDerWaalsContact CD1-CE1 3.42Å; I12-Y66 HydrophobicContact CG1-CD1 3.8Å; I12-Y66 HydrophobicContact CG1-CE1 3.76Å; I12-Y66 HydrophobicContact CG1-CG 4.49Å; L45-Y66 WeakPolarHBondContact CB-O 3.19Å; L45-Y66 PolarHBondContact N-O 3.03Å; G46-Y66 PolarHBondContact O-N 3.34Å; R48-Y66 HydrophobicContact CB-CD2 3.99Å; R48-Y66 HydrophobicContact CB-CE2 3.72Å; R48-Y66 HydrophobicContact CG-CD2 4.36Å; L50-Y66 HydrophobicContact CD2-CE2 4.16Å; L50-Y66 WeakPolarHBondContact CD2-OH 3.41Å; G64-Y66 VanDerWaalsContact O-CD2 3.28Å; G64-Y66 WeakPolarHBondContact O-CD2 3.18Å
67F97.7Very high93.7Very high15 Ų1557.2 Ų57.27%0.06629%0.289CS..EExtended strand (participates in β ladder)trans-124.2145.9172.9-67.7-83.5000109.9L11 I13 I21 L25 E43 N44 H65L11-F67 HydrophobicContact CB-CB 4.26Å; L11-F67 PolarHBondContact N-O 3.42Å; L11-F67 PolarHBondContact O-N 3.01Å; I13-F67 HydrophobicContact CD1-CD2 3.82Å; I13-F67 HydrophobicContact CD1-CE2 3.72Å; I13-F67 HydrophobicContact CG1-CD2 4.1Å; I13-F67 HydrophobicContact CG1-CE2 4.23Å; I21-F67 HydrophobicContact CG2-CE2 3.75Å; I21-F67 HydrophobicContact CG2-CZ 3.57Å; L25-F67 HydrophobicContact CD1-CB 4.32Å; L25-F67 HydrophobicContact CD1-CD1 3.52Å; L25-F67 HydrophobicContact CD1-CD2 3.85Å; L25-F67 HydrophobicContact CD1-CE1 3.68Å; L25-F67 HydrophobicContact CD1-CE2 3.98Å; L25-F67 HydrophobicContact CD1-CG 3.61Å; L25-F67 HydrophobicContact CD1-CZ 3.91Å; E43-F67 CarbonylContact O-C 3.58Å; E43-F67 VanDerWaalsContact O-CA 3.26Å; E43-F67 WeakPolarHBondContact O-CA 3.38Å; N44-F67 HydrophobicContact CB-CD1 4.11Å; N44-F67 HydrophobicContact CB-CE1 3.79Å; H65-F67 HydrophobicContact CB-CD2 4.41Å; H65-F67 HydrophobicContact CB-CE2 3.72Å; H65-F67 HydrophobicContact CB-CZ 4.43Å
68L97.1Very high93.9Very high31 Ų3151 Ų5116%0.16226%0.26CS..EExtended strand (participates in β ladder)trans-121.8120.2176-170.5143.4000108.7E8 M9 V42 E43 L45E8-L68 HydrophobicContact CG-CD1 4.24Å; E8-L68 HydrophobicContact CG-CD2 3.87Å; E8-L68 HydrophobicContact CG-CG 3.92Å; E8-L68 WeakPolarHBondContact OE1-CD2 3.49Å; M9-L68 WeakPolarHBondContact O-CA 3.45Å; V42-L68 WeakPolarHBondContact CA-O 3.46Å; E43-L68 HydrophobicContact CB-CB 4.32Å; E43-L68 PolarHBondContact N-O 3.44Å; E43-L68 PolarHBondContact O-N 3.41Å; L45-L68 HydrophobicContact CD1-CB 4.14Å; L45-L68 HydrophobicContact CD1-CD1 4.42Å; L45-L68 HydrophobicContact CG-CB 4.42Å
69I97Very high94Very high0 Ų052.2 Ų52.20%025%0.248CC..EExtended strand (participates in β ladder)trans-118.5118.1-171.4-57.2169.1000108.4E8 M9 L11 L29 M32 L39 N41 V42 F71E8-I69 CarbonylContact C-O 3.49Å; E8-I69 WeakPolarHBondContact CA-O 2.96Å; M9-I69 HydrophobicContact CB-CB 4.36Å; M9-I69 PolarHBondContact N-O 3.11Å; M9-I69 PolarHBondContact O-N 3.47Å; L11-I69 HydrophobicContact CB-CD1 4.26Å; L11-I69 HydrophobicContact CD2-CD1 4.11Å; L29-I69 HydrophobicContact CD2-CD1 3.96Å; L29-I69 HydrophobicContact CD2-CG1 4.49Å; L29-I69 HydrophobicContact CD2-CG2 4.32Å; M32-I69 HydrophobicContact CE-CG2 4Å; M32-I69 HydrophobicContact SD-CD1 4.33Å; M32-I69 HydrophobicContact SD-CG2 4.32Å; L39-I69 HydrophobicContact CD2-CG2 3.45Å; L39-I69 VanDerWaalsContact CD2-CG2 3.45Å; N41-I69 WeakPolarHBondContact O-CA 3.4Å; V42-I69 HydrophobicContact CG1-CG1 4.28Å; V42-I69 HydrophobicContact CG2-CG1 4.43Å; V42-I69 HydrophobicContact CG2-CG2 4.33Å; I69-F71 HydrophobicContact CG2-CD1 4.16Å
70N95.5Very high94Very high8 Ų850.8 Ų50.84%0.04324%0.241CC..EExtended strand (participates in β ladder)trans-97.5124.6173.5-71.8-62.9000109.4E8 F40 N41 K99E8-N70 PolarHBondContact OE1-OD1 3.09Å; F40-N70 HydrophobicContact CB-CB 4.5Å; F40-N70 PolarHBondContact N-O 3.23Å; N41-N70 HydrophobicContact CB-CB 4.25Å; N41-N70 PolarHBondContact N-O 3.49Å; N41-N70 PolarHBondContact O-N 2.76Å; N70-K99 PolarHBondContact OD1-NZ 3.01Å
71F95.2Very high93.9Very high0 Ų043.2 Ų43.20%021%0.213CC..EExtended strand (participates in β ladder)trans-152.8158-176.869.1-76.1000112.7Y7 M9 M32 A37 H38 L39 I69 A73 I81 A96Y7-F71 HydrophobicContact CD2-CE2 4.13Å; Y7-F71 HydrophobicContact CD2-CZ 4.37Å; Y7-F71 HydrophobicContact CG-CE2 4.4Å; Y7-F71 HydrophobicContact CG-CZ 4.19Å; Y7-F71 PolarHBondContact N-O 3.06Å; Y7-F71 PolarHBondContact O-N 3.3Å; M9-F71 HydrophobicContact CB-CD1 4.39Å; M9-F71 HydrophobicContact CB-CE1 3.63Å; M9-F71 HydrophobicContact CE-CE1 3.91Å; M9-F71 HydrophobicContact CE-CZ 3.79Å; M32-F71 HydrophobicContact CE-CB 4.18Å; M32-F71 HydrophobicContact CE-CD1 3.49Å; M32-F71 VanDerWaalsContact CE-CD1 3.49Å; M32-F71 HydrophobicContact CE-CD2 3.73Å; M32-F71 HydrophobicContact CE-CE1 3.71Å; M32-F71 HydrophobicContact CE-CE2 3.91Å; M32-F71 HydrophobicContact CE-CG 3.51Å; M32-F71 HydrophobicContact CE-CZ 3.91Å; A37-F71 HydrophobicContact CB-CD2 3.82Å; A37-F71 HydrophobicContact CB-CE2 4.46Å; H38-F71 CarbonylContact O-C 3.6Å; H38-F71 WeakPolarHBondContact O-CA 3.46Å; H38-F71 VanDerWaalsContact O-CB 3.31Å; H38-F71 WeakPolarHBondContact O-CB 3.33Å; L39-F71 HydrophobicContact CD2-CB 4.17Å; I69-F71 HydrophobicContact CG2-CD1 4.16Å; F71-A73 HydrophobicContact CD2-CB 3.86Å; F71-A73 HydrophobicContact CE2-CB 3.7Å; F71-I81 HydrophobicContact CE2-CD1 4.26Å; F71-A96 HydrophobicContact CZ-CB 4.45Å
72N94.1Very high93.8Very high30 Ų3045.5 Ų45.516%0.1622%0.22CC..EExtended strand (participates in β ladder)trans-103.3140.4167.8-74.2-7.7000109.9V4 I5 R6 A37 H38 F40V4-N72 HydrophobicContact CG1-CB 3.64Å; V4-N72 VanDerWaalsContact CG1-CG 3.47Å; V4-N72 WeakPolarHBondContact CG1-ND2 3.45Å; I5-N72 VanDerWaalsContact O-CA 3.3Å; I5-N72 WeakPolarHBondContact O-CA 3.16Å; R6-N72 WeakPolarHBondContact CA-OD1 3.49Å; R6-N72 WeakPolarHBondContact CB-OD1 3.44Å; R6-N72 WeakPolarHBondContact CG-OD1 3.5Å; A37-N72 CarbonylContact C-O 3.58Å; A37-N72 VanDerWaalsContact CA-O 3.26Å; A37-N72 WeakPolarHBondContact CA-O 3.43Å; H38-N72 HydrophobicContact CB-CB 4.45Å; H38-N72 PolarHBondContact N-O 3.46Å; H38-N72 PolarHBondContact O-N 3.4Å; F40-N72 HydrophobicContact CE2-CB 3.89Å; F40-N72 WeakPolarHBondContact CE2-ND2 3.42Å; F40-N72 WeakPolarHBondContact CE2-OD1 3.42Å; F40-N72 HydrophobicContact CZ-CB 4.24Å; F40-N72 WeakPolarHBondContact CZ-ND2 3.38Å
73A92.2Very high93.6Very high4 Ų444.6 Ų44.63%0.03322%0.219CC..EExtended strand (participates in β ladder)trans-153.2154.4175.400000111.5I5 Y7 A37 F71I5-A73 PolarHBondContact O-N 3.41Å; Y7-A73 HydrophobicContact CD2-CB 4.33Å; Y7-A73 HydrophobicContact CE2-CB 4.37Å; Y7-A73 WeakPolarHBondContact CE2-O 3.44Å; A37-A73 HydrophobicContact CB-CB 4.33Å; F71-A73 HydrophobicContact CD2-CB 3.86Å; F71-A73 HydrophobicContact CE2-CB 3.7Å
74P89.8Confident93.5Very high59 Ų5944.5 Ų44.538%0.38322%0.219SC..  trans-56.9144162.5-20.931.4000110.8D76 S77P74-D76 PolarHBondContact O-N 3.35Å; P74-S77 WeakPolarHBondContact CD-OG 3.1Å; P74-S77 PolarHBondContact O-N 2.94Å; P74-S77 PolarHBondContact O-OG 3.3Å
75H86.9Confident93.3Very high118 Ų11844.5 Ų44.555%0.54622%0.219SC..Hα-helixtrans-56-38.4178.2-177-92.4000112.3I5 S77 L78I5-H75 HydrophobicContact CD1-CB 4.21Å; H75-S77 PolarHBondContact O-N 3.28Å; H75-L78 WeakPolarHBondContact O-CB 3.48Å; H75-L78 PolarHBondContact O-N 3.17Å
76D87Confident93Very high136 Ų13653.1 Ų53.173%0.72725%0.251SS*.Hα-helixtrans-68.6-31.1-177.4-59.3-30.9000113.4P74 L78P74-D76 PolarHBondContact O-N 3.35Å; D76-L78 VanDerWaalsContact C-N 3.27Å; D76-L78 PolarHBondContact O-N 3.36Å
77S89.9Confident92.8Very high17 Ų1757.6 Ų57.612%0.11927%0.271CS..Hα-helixtrans-75.6-18.9-178.870.20000112.8N35 P74 H75 N79 Q80 I81N35-S77 WeakPolarHBondContact O-CB 3.39Å; N35-S77 PolarHBondContact O-OG 2.81Å; P74-S77 WeakPolarHBondContact CD-OG 3.1Å; P74-S77 PolarHBondContact O-N 2.94Å; P74-S77 PolarHBondContact O-OG 3.3Å; H75-S77 PolarHBondContact O-N 3.28Å; S77-N79 VanDerWaalsContact C-N 3.3Å; S77-N79 PolarHBondContact O-N 3.45Å; S77-Q80 WeakPolarHBondContact O-CB 3.29Å; S77-Q80 PolarHBondContact O-N 2.92Å; S77-I81 WeakPolarHBondContact O-CG1 3.37Å; S77-I81 PolarHBondContact O-N 2.89Å
78L90.9Very high92.7Very high7 Ų758.2 Ų58.24%0.03728%0.275CS..Hα-helixtrans-64.8-35.3-176.9-158.7146.2000112.3Y7 H75 D76 Q80 I81 R82 A96Y7-L78 HydrophobicContact CD1-CD1 3.35Å; Y7-L78 HydrophobicContact CD2-CD1 3.77Å; Y7-L78 HydrophobicContact CE1-CD1 3.17Å; Y7-L78 HydrophobicContact CE2-CD1 3.61Å; Y7-L78 HydrophobicContact CG-CD1 3.64Å; H75-L78 WeakPolarHBondContact O-CB 3.48Å; H75-L78 PolarHBondContact O-N 3.17Å; D76-L78 VanDerWaalsContact C-N 3.27Å; D76-L78 PolarHBondContact O-N 3.36Å; L78-Q80 VanDerWaalsContact C-N 3.33Å; L78-I81 PolarHBondContact O-N 2.85Å; L78-R82 HydrophobicContact CD2-CG 4.28Å; L78-R82 WeakPolarHBondContact O-CB 3.46Å; L78-R82 WeakPolarHBondContact O-CG 3.48Å; L78-R82 PolarHBondContact O-N 2.78Å; L78-A96 HydrophobicContact CD1-CB 4.34Å; L78-A96 HydrophobicContact CD2-CB 4.13Å; L78-A96 HydrophobicContact CG-CB 4.41Å
79N91.2Very high92.5Very high102 Ų10258.3 Ų58.355%0.54528%0.278SS..Hα-helixtrans-64-40.2173-76.6-24.4000111.7S77 K83S77-N79 VanDerWaalsContact C-N 3.3Å; S77-N79 PolarHBondContact O-N 3.45Å; N79-K83 WeakPolarHBondContact O-CB 3.44Å; N79-K83 PolarHBondContact O-N 3.03Å
80Q92.9Very high92.5Very high81 Ų8159.8 Ų59.838%0.37929%0.287SS..Hα-helixtrans-68.8-42.7178.5-17264.64.400111.5N35 S77 L78 R82 K83 M84N35-Q80 WeakPolarHBondContact OD1-CG 3.39Å; S77-Q80 WeakPolarHBondContact O-CB 3.29Å; S77-Q80 PolarHBondContact O-N 2.92Å; L78-Q80 VanDerWaalsContact C-N 3.33Å; Q80-R82 PolarHBondContact O-N 2.86Å; Q80-K83 WeakPolarHBondContact O-CB 3.45Å; Q80-K83 PolarHBondContact O-N 3.23Å; Q80-M84 WeakPolarHBondContact O-CG 3.18Å; Q80-M84 PolarHBondContact O-N 2.86Å
81I93.6Very high92.5Very high1 Ų159.9 Ų59.91%0.00529%0.287CS..Hα-helixtrans-59.8-47.4175.9-65.5167000110.6M9 M32 N35 A37 F71 S77 L78 K83 M84 A85M9-I81 HydrophobicContact CE-CG2 3.72Å; M32-I81 HydrophobicContact CG-CG2 3.76Å; N35-I81 HydrophobicContact CB-CD1 4.4Å; N35-I81 HydrophobicContact CB-CG1 3.88Å; A37-I81 HydrophobicContact CB-CD1 4.1Å; F71-I81 HydrophobicContact CE2-CD1 4.26Å; S77-I81 WeakPolarHBondContact O-CG1 3.37Å; S77-I81 PolarHBondContact O-N 2.89Å; L78-I81 PolarHBondContact O-N 2.85Å; I81-K83 VanDerWaalsContact C-N 3.32Å; I81-K83 PolarHBondContact O-N 3.21Å; I81-M84 PolarHBondContact O-N 2.94Å; I81-A85 PolarHBondContact O-N 3.5Å
82R93Very high92.5Very high68 Ų6860.8 Ų60.826%0.25729%0.291SS..Hα-helixtrans-61.7-39176.1-74.4176.8177.5164.5-0.3112.1L78 Q80 A85 R86 A96L78-R82 HydrophobicContact CD2-CG 4.28Å; L78-R82 WeakPolarHBondContact O-CB 3.46Å; L78-R82 WeakPolarHBondContact O-CG 3.48Å; L78-R82 PolarHBondContact O-N 2.78Å; Q80-R82 PolarHBondContact O-N 2.86Å; R82-A85 PolarHBondContact O-N 2.84Å; R82-R86 WeakPolarHBondContact O-CG 3.48Å; R82-R86 PolarHBondContact O-N 3.42Å; R82-A96 PolarHBondContact NH2-O 3.29Å
83K93.6Very high92.5Very high114 Ų11464.4 Ų64.450%0.49631%0.306SS..Hα-helixtrans-64.9-41.7177.5-173.1178.7-177.2178.70111.5N79 Q80 I81 R86 K87N79-K83 WeakPolarHBondContact O-CB 3.44Å; N79-K83 PolarHBondContact O-N 3.03Å; Q80-K83 WeakPolarHBondContact O-CB 3.45Å; Q80-K83 PolarHBondContact O-N 3.23Å; I81-K83 VanDerWaalsContact C-N 3.32Å; I81-K83 PolarHBondContact O-N 3.21Å; K83-R86 PolarHBondContact O-N 2.99Å; K83-K87 WeakPolarHBondContact O-CG 3.26Å; K83-K87 PolarHBondContact O-N 3.33Å
84M93.6Very high92.6Very high70 Ų7065.4 Ų65.435%0.34531%0.312SS..Hα-helixtrans-65.6-42175.4-70.4-56.6-61.200111.6Q80 I81 R86 K87 D88Q80-M84 WeakPolarHBondContact O-CG 3.18Å; Q80-M84 PolarHBondContact O-N 2.86Å; I81-M84 PolarHBondContact O-N 2.94Å; M84-R86 VanDerWaalsContact C-N 3.34Å; M84-R86 PolarHBondContact O-N 3.39Å; M84-K87 PolarHBondContact O-N 3.37Å; M84-K87 HydrophobicContact SD-CD 4.5Å; M84-D88 PolarHBondContact O-N 3.38Å
85A93.5Very high92.9Very high0 Ų068.2 Ų68.20%032%0.318CS..Hα-helixtrans-59.8-41.6175.900000112.9I81 R82 K87 D88 I91 C94I81-A85 PolarHBondContact O-N 3.5Å; R82-A85 PolarHBondContact O-N 2.84Å; A85-K87 VanDerWaalsContact C-N 3.26Å; A85-K87 PolarHBondContact O-N 3.18Å; A85-D88 PolarHBondContact O-N 2.97Å; A85-I91 HydrophobicContact CB-CD1 4.1Å; A85-C94 HydrophobicContact CB-CB 3.57Å
86R91.9Very high93.2Very high209 Ų20962.7 Ų62.779%0.78929%0.294SS*.Hα-helixtrans-67.9-23178.4-72.7177.4-173177.62.3114R82 K83 M84R82-R86 WeakPolarHBondContact O-CG 3.48Å; R82-R86 PolarHBondContact O-N 3.42Å; K83-R86 PolarHBondContact O-N 2.99Å; M84-R86 VanDerWaalsContact C-N 3.34Å; M84-R86 PolarHBondContact O-N 3.39Å
87K93Very high93.5Very high140 Ų14058 Ų5861%0.60927%0.274SS*.Hα-helixtrans-81.6-23177.3-73.4178.5175.7-171.70112.5K83 M84 A85K83-K87 WeakPolarHBondContact O-CG 3.26Å; K83-K87 PolarHBondContact O-N 3.33Å; M84-K87 PolarHBondContact O-N 3.37Å; M84-K87 HydrophobicContact SD-CD 4.5Å; A85-K87 VanDerWaalsContact C-N 3.26Å; A85-K87 PolarHBondContact O-N 3.18Å
88D94.2Very high93.6Very high27 Ų2763 Ų6314%0.14430%0.298CS..  trans-71.4128.8179.2-163.6-39.4000109.9R27 M84 A85 D90 I91R27-D88 IonicContact CZ-OD1 2.77Å; R27-D88 IonicContact CZ-OD2 2.97Å; R27-D88 IonicContact NE-OD2 3.75Å; R27-D88 PolarHBondContact NE-OD2 3.36Å; R27-D88 VanDerWaalsContact NH2-CG 3.25Å; R27-D88 IonicContact NH2-OD1 3.5Å; R27-D88 PolarHBondContact NH2-OD1 3.29Å; R27-D88 IonicContact NH2-OD2 3.34Å; R27-D88 PolarHBondContact NH2-OD2 3.16Å; M84-D88 PolarHBondContact O-N 3.38Å; A85-D88 PolarHBondContact O-N 2.97Å; D88-D90 PolarHBondContact O-N 2.79Å; D88-D90 WeakPolarHBondContact OD1-CB 3.49Å; D88-D90 PolarHBondContact OD1-N 2.92Å; D88-I91 HydrophobicContact CB-CB 4.27Å; D88-I91 HydrophobicContact CB-CD1 3.72Å; D88-I91 HydrophobicContact CB-CG1 3.92Å
89S94.2Very high93.5Very high33 Ų3365.1 Ų65.123%0.23131%0.307CS..THydrogen-bonded Turntrans-64.6-27.1178.953.90000113.5K14 Q57K14-S89 WeakPolarHBondContact CE-O 2.94Å; K14-S89 PolarHBondContact NZ-O 2.92Å; Q57-S89 VanDerWaalsContact NE2-CA 3.29Å; Q57-S89 VanDerWaalsContact NE2-CB 3.3Å
90D95.7Very high93.1Very high32 Ų3266 Ų6617%0.17131%0.312CS..THydrogen-bonded Turntrans-94.4-10.6-168.8-56.9-22.3000111.5I13 K14 L16 A24 R27 D88I13-D90 CarbonylContact C-O 3.55Å; I13-D90 WeakPolarHBondContact CA-O 3.08Å; I13-D90 WeakPolarHBondContact CG2-O 3.28Å; K14-D90 PolarHBondContact N-O 2.82Å; L16-D90 HydrophobicContact CD1-CB 3.99Å; A24-D90 HydrophobicContact CB-CB 3.86Å; R27-D90 IonicContact CZ-OD2 2.69Å; R27-D90 IonicContact NH1-OD2 3.5Å; R27-D90 IonicContact NH2-OD2 3.72Å; R27-D90 PolarHBondContact NH2-OD2 2.78Å; D88-D90 PolarHBondContact O-N 2.79Å; D88-D90 WeakPolarHBondContact OD1-CB 3.49Å; D88-D90 PolarHBondContact OD1-N 2.92Å
91I96.2Very high92.2Very high9 Ų966.9 Ų66.95%0.04632%0.319CS..EExtended strand (participates in β ladder)trans-93.4119.3177.8-62.2175.1000109.1L11 H28 A85 D88 C94L11-I91 HydrophobicContact CD1-CB 4.46Å; L11-I91 HydrophobicContact CD1-CD1 3.92Å; L11-I91 HydrophobicContact CD1-CG1 4.07Å; L11-I91 HydrophobicContact CD1-CG2 3.58Å; H28-I91 HydrophobicContact CB-CD1 4.2Å; A85-I91 HydrophobicContact CB-CD1 4.1Å; D88-I91 HydrophobicContact CB-CB 4.27Å; D88-I91 HydrophobicContact CB-CD1 3.72Å; D88-I91 HydrophobicContact CB-CG1 3.92Å; I91-C94 HydrophobicContact CG2-CB 4.23Å
92I95.9Very high91.4Very high19 Ų1969.7 Ų69.710%0.09735%0.348CS..EExtended strand (participates in β ladder)trans-77-48.8175-52.8-177000110.1I12 K14 L50 F54 V56 Q61I12-I92 HydrophobicContact CB-CB 4.24Å; I12-I92 HydrophobicContact CG2-CB 4.03Å; I12-I92 HydrophobicContact CG2-CD1 3.89Å; I12-I92 HydrophobicContact CG2-CG1 4.29Å; I12-I92 PolarHBondContact O-N 3.36Å; K14-I92 HydrophobicContact CG-CD1 4.41Å; K14-I92 HydrophobicContact CG-CG1 3.9Å; L50-I92 HydrophobicContact CD1-CD1 3.79Å; L50-I92 HydrophobicContact CD1-CG2 4.36Å; L50-I92 HydrophobicContact CD2-CD1 4.48Å; F54-I92 HydrophobicContact CB-CG2 3.72Å; F54-I92 HydrophobicContact CD1-CG2 4.45Å; F54-I92 HydrophobicContact CD2-CG2 4.2Å; F54-I92 HydrophobicContact CG-CG2 3.87Å; V56-I92 HydrophobicContact CG2-CB 4.18Å; V56-I92 HydrophobicContact CG2-CG1 4.32Å; V56-I92 HydrophobicContact CG2-CG2 3.85Å; Q61-I92 HydrophobicContact CB-CD1 3.84Å; Q61-I92 HydrophobicContact CG-CD1 4.04Å; Q61-I92 HydrophobicContact CG-CG1 4.26Å
93K94.1Very high90.8Very high107 Ų10775.3 Ų75.347%0.46537%0.37SS..EExtended strand (participates in β ladder)trans-152.8141.5-176-155.9161.9-177.3177.40110.4I12 F54I12-K93 HydrophobicContact CB-CB 4.36Å; I12-K93 HydrophobicContact CD1-CB 4.12Å; I12-K93 HydrophobicContact CG1-CB 4.38Å; I12-K93 PolarHBondContact N-O 3.37Å; I12-K93 PolarHBondContact O-N 3.27Å; F54-K93 HydrophobicContact CE1-CD 4Å; F54-K93 HydrophobicContact CZ-CD 4.17Å
94C94.6Very high90.1Very high24 Ų2473.8 Ų73.816%0.16237%0.37CS..EExtended strand (participates in β ladder)trans-134.7123.1174.7171.60000107.3M9 L11 A85 I91M9-C94 PolarHBondContact SD-SG 3.08Å; L11-C94 HydrophobicContact CD1-CB 4.02Å; A85-C94 HydrophobicContact CB-CB 3.57Å; I91-C94 HydrophobicContact CG2-CB 4.23Å
95F95Very high89.4Confident118 Ų11872.7 Ų72.752%0.51837%0.368SS..EExtended strand (participates in β ladder)trans-133.9135.2175.3-178.3-100.3000108.6M9 S10 A97M9-F95 CarbonylContact C-O 3.55Å; M9-F95 WeakPolarHBondContact CA-O 3.4Å; M9-F95 WeakPolarHBondContact CG-O 3.29Å; S10-F95 PolarHBondContact N-O 2.82Å; S10-F95 PolarHBondContact O-N 2.78Å; S10-F95 PolarHBondContact OG-O 2.73Å; F95-A97 HydrophobicContact CE1-CB 4.02Å
96A93.4Very high88.7Confident3 Ų377.1 Ų77.13%0.02540%0.397CS..EExtended strand (participates in β ladder)trans-120.5128.2177.900000108.6E8 M9 F71 L78 R82E8-A96 CarbonylContact O-C 3.57Å; E8-A96 WeakPolarHBondContact O-CA 3.47Å; M9-A96 HydrophobicContact CB-CB 4.19Å; M9-A96 HydrophobicContact CE-CB 3.92Å; F71-A96 HydrophobicContact CZ-CB 4.45Å; L78-A96 HydrophobicContact CD1-CB 4.34Å; L78-A96 HydrophobicContact CD2-CB 4.13Å; L78-A96 HydrophobicContact CG-CB 4.41Å; R82-A96 PolarHBondContact NH2-O 3.29Å
97A92.3Very high88.3Confident38 Ų3868.9 Ų68.931%0.31437%0.371SS..EExtended strand (participates in β ladder)trans-111.2149.5175.400000109.7Y7 E8 F95 K99Y7-A97 CarbonylContact C-O 3.28Å; Y7-A97 VanDerWaalsContact CA-O 3.25Å; Y7-A97 WeakPolarHBondContact CA-O 3.25Å; Y7-A97 WeakPolarHBondContact CD1-O 3.23Å; E8-A97 PolarHBondContact N-O 2.84Å; E8-A97 PolarHBondContact O-N 2.8Å; F95-A97 HydrophobicContact CE1-CB 4.02Å; A97-K99 PolarHBondContact O-N 2.87Å
98L92.3Very high87.8Confident120 Ų12065.8 Ų65.863%0.62837%0.367SS*.EExtended strand (participates in β ladder)trans-65.7128.6166.7-76.5153.2000108.1I5 Y7I5-L98 HydrophobicContact CG2-CD2 3.18Å; Y7-L98 HydrophobicContact CD1-CD2 4Å; Y7-L98 HydrophobicContact CD1-CG 4.15Å; Y7-L98 HydrophobicContact CE1-CD2 3.36Å; Y7-L98 HydrophobicContact CE1-CG 3.72Å
99K89.3Confident87.4Confident53 Ų5369 Ų6923%0.2338%0.384CS..  trans-9599.2174.5-168.8172.2-170135.80107.9R6 E8 N70 A97 D101R6-K99 HydrophobicContact CB-CB 4.39Å; R6-K99 HydrophobicContact CG-CB 4.16Å; R6-K99 HydrophobicContact CG-CD 4.4Å; R6-K99 PolarHBondContact O-N 2.92Å; E8-K99 HydrophobicContact CB-CB 4.36Å; E8-K99 HydrophobicContact CB-CD 4.37Å; E8-K99 IonicContact OE1-NZ 3.56Å; E8-K99 PolarHBondContact OE1-NZ 3.03Å; N70-K99 PolarHBondContact OD1-NZ 3.01Å; A97-K99 PolarHBondContact O-N 2.87Å; K99-D101 WeakPolarHBondContact CE-OD1 3.39Å; K99-D101 WeakPolarHBondContact CG-OD1 3.21Å
100D82.4Confident87Confident120 Ų12073.6 Ų73.664%0.64241%0.413SS*.  trans-97.894.1171.1-169.6-5.4000108.6G102D100-G102 PolarHBondContact O-N 2.83Å; D100-G102 PolarHBondContact OD1-N 2.92Å
101D75Confident86.4Confident99 Ų9979.8 Ų79.853%0.52945%0.446SS..THydrogen-bonded Turntrans-71.8-8178.2-60.7-50.4000112R6 K99R6-D101 IonicContact CZ-OD2 2.81Å; R6-D101 IonicContact NE-OD2 2.79Å; R6-D101 IonicContact NH1-OD2 3.85Å; R6-D101 PolarHBondContact NH1-OD2 2.89Å; K99-D101 WeakPolarHBondContact CE-OD1 3.39Å; K99-D101 WeakPolarHBondContact CG-OD1 3.21Å
102G76.9Confident85.8Confident60 Ų6081.2 Ų81.262%0.61946%0.459SS*.THydrogen-bonded Turntrans-91.6-16.7-175.400000114.6D100 V104D100-G102 PolarHBondContact O-N 2.83Å; D100-G102 PolarHBondContact OD1-N 2.92Å; G102-V104 PolarHBondContact O-N 3.29Å
103W79.5Confident85.2Confident186 Ų18687 Ų8771%0.70549%0.49SS*.  trans-80.5107-178.9-169.185.6000110.8P105W103-P105 HydrophobicContact CH2-CG 4.25Å; W103-P105 HydrophobicContact CZ3-CG 4.16Å
104V79.2Confident84.6Confident82 Ų8289 Ų8950%0.49751%0.506SS..  trans-109.4144.6164.3-78.30000109G102 L109G102-V104 PolarHBondContact O-N 3.29Å; V104-L109 HydrophobicContact CG2-CD2 4.15Å
105P78.8Confident83.8Confident48 Ų4890.7 Ų90.731%0.31252%0.517SS..  trans-53.7135.8171.5-19.729.6000109.1W103 C107 S108W103-P105 HydrophobicContact CH2-CG 4.25Å; W103-P105 HydrophobicContact CZ3-CG 4.16Å; P105-C107 PolarHBondContact O-N 3.44Å; P105-C107 VanDerWaalsContact O-N 3.09Å; P105-S108 WeakPolarHBondContact O-CB 3.03Å; P105-S108 PolarHBondContact O-N 2.94Å
106P79.2Confident82.9Confident93 Ų9393.8 Ų93.860%0.60453%0.533SS*.G310 helixtrans-54.2-35.6-177-26.933.2000113S108 L109 A112P106-S108 PolarHBondContact O-N 3.48Å; P106-L109 WeakPolarHBondContact O-CG 3.43Å; P106-L109 PolarHBondContact O-N 3.21Å; P106-A112 WeakPolarHBondContact O-CB 3.5Å
107C82.4Confident81.8Confident36 Ų36102.4 Ų102.424%0.24357%0.57CS.*G310 helixtrans-72.1-7.3177.353.70000114.9P105 N113 C115P105-C107 PolarHBondContact O-N 3.44Å; P105-C107 VanDerWaalsContact O-N 3.09Å; C107-N113 WeakPolarHBondContact CB-O 3.5Å; C107-C115 HydrophobicContact CB-CB 3.71Å; C107-C115 WeakPolarHBondContact CB-SG 3.43Å; C107-C115 WeakPolarHBondContact SG-CB 3.41Å; C107-C115 CovalentContact SG-SG 2.01Å; C107-C115 PolarHBondContact SG-SG 2.88Å
108S83.5Confident80.8Confident75 Ų75103.8 Ų103.852%0.52459%0.588SS.*G310 helixtrans-90.40.5175.3-53.80000113.2P105 P106P105-S108 WeakPolarHBondContact O-CB 3.03Å; P105-S108 PolarHBondContact O-N 2.94Å; P106-S108 PolarHBondContact O-N 3.48Å
109L85.6Confident79.7Confident95 Ų95106.8 Ų106.850%0.49760%0.599SS.*SBendtrans-75.6149.6175.9-64.3169.3000110.5V104 P106 N111 A112V104-L109 HydrophobicContact CG2-CD2 4.15Å; P106-L109 WeakPolarHBondContact O-CG 3.43Å; P106-L109 PolarHBondContact O-N 3.21Å; L109-N111 PolarHBondContact O-N 3.45Å; L109-A112 HydrophobicContact CB-CB 4.01Å; L109-A112 PolarHBondContact O-N 2.81Å
110P84.9Confident78.7Confident129 Ų129108.8 Ų108.884%0.83861%0.611SS**THydrogen-bonded Turntrans-56.1-20.5-171.4-26.133.6000116.3
111N85Confident77.9Confident162 Ų162115.3 Ų115.387%0.86663%0.627SS**THydrogen-bonded Turntrans-13021-178.1-64.1-27000112.4L109L109-N111 PolarHBondContact O-N 3.45Å
112A83.5Confident77.6Confident38 Ų38113.9 Ų113.931%0.31462%0.619SS.*PPolyproline II helixtrans-84.3150.917600000111.2P106 L109P106-A112 WeakPolarHBondContact O-CB 3.5Å; L109-A112 HydrophobicContact CB-CB 4.01Å; L109-A112 PolarHBondContact O-N 2.81Å
113N81.8Confident77.3Confident142 Ų142116.5 Ų116.576%0.75963%0.626SS**PPolyproline II helixtrans-59.4154.5170.2-65.2-3.7000110.1C107C107-N113 WeakPolarHBondContact CB-O 3.5Å
114D81.5Confident76.6Confident149 Ų149111 Ų11180%0.79761%0.61SS**PPolyproline II helixtrans-51145.6173.8-70.2-32.9000111.1E116D114-E116 PolarHBondContact O-N 2.99Å
115C79.2Confident76.2Confident58 Ų58112.5 Ų112.539%0.39261%0.607SS.*  trans-64.199.2176.1-51.60000109.4C107 F117C107-C115 HydrophobicContact CB-CB 3.71Å; C107-C115 WeakPolarHBondContact CB-SG 3.43Å; C107-C115 WeakPolarHBondContact SG-CB 3.41Å; C107-C115 CovalentContact SG-SG 2.01Å; C107-C115 PolarHBondContact SG-SG 2.88Å; C115-F117 HydrophobicContact CB-CD2 4.02Å; C115-F117 HydrophobicContact CB-CE2 3.68Å; C115-F117 HydrophobicContact CB-CZ 4.49Å; C115-F117 PolarHBondContact O-N 2.87Å
116E74.9Confident75.5Confident184 Ų184115.7 Ų115.786%0.8662%0.618SS**  trans-7890.7168.7-69.8-172.8-17600109.1D114 G118D114-E116 PolarHBondContact O-N 2.99Å; E116-G118 VanDerWaalsContact C-N 3.3Å; E116-G118 PolarHBondContact O-N 3.5Å
117F71Confident74.6Confident183 Ų183117.9 Ų117.980%0.80362%0.618SS**  trans-69.795.2163.1-71.8-83000107.3C115 E119C115-F117 HydrophobicContact CB-CD2 4.02Å; C115-F117 HydrophobicContact CB-CE2 3.68Å; C115-F117 HydrophobicContact CB-CZ 4.49Å; C115-F117 PolarHBondContact O-N 2.87Å; F117-E119 PolarHBondContact O-N 2.93Å
118G70.2Confident73.4Confident67 Ų67120.5 Ų120.569%0.69163%0.633SS**  trans-50.9139.7172.800000110E116 I120E116-G118 VanDerWaalsContact C-N 3.3Å; E116-G118 PolarHBondContact O-N 3.5Å; G118-I120 PolarHBondContact O-N 3.34Å
119E70.5Confident72.1Confident183 Ų183120.8 Ų120.886%0.85564%0.64SS**  trans-55.6140.8172.9-66.1-173.8167.900109.1F117 R121F117-E119 PolarHBondContact O-N 2.93Å; E119-R121 PolarHBondContact O-N 3.39Å
120I66.8Low70.6Confident96 Ų96126.1 Ų126.149%0.49265%0.654SS.*  trans-55112.5171.4-60.4168.9000105.7G118 N122 Y125G118-I120 PolarHBondContact O-N 3.34Å; I120-N122 CarbonylContact O-C 3.54Å; I120-N122 VanDerWaalsContact O-C 3.28Å; I120-N122 PolarHBondContact O-N 2.79Å; I120-Y125 HydrophobicContact CB-CD1 4.22Å; I120-Y125 HydrophobicContact CB-CE1 4.48Å; I120-Y125 HydrophobicContact CD1-CD1 3.76Å; I120-Y125 HydrophobicContact CD1-CE1 3.26Å; I120-Y125 HydrophobicContact CD1-CE2 4.26Å; I120-Y125 HydrophobicContact CD1-CG 4.43Å; I120-Y125 HydrophobicContact CG1-CE1 4.44Å; I120-Y125 HydrophobicContact CG2-CD1 3.69Å; I120-Y125 HydrophobicContact CG2-CE1 4.34Å; I120-Y125 HydrophobicContact CG2-CG 3.93Å
121R67.1Low69Low256 Ų256130.9 Ų130.997%0.96666%0.655SS**SBendtrans-48.7-20.8-172.9-74.2-174.7176.6-172.4-1114E119E119-R121 PolarHBondContact O-N 3.39Å
122N68.8Low67.4Low69 Ų69134.4 Ų134.437%0.36966%0.656SS.*  trans-113.3104.5170.7-174.62.6000110.9I120 N124 Y125 T128I120-N122 CarbonylContact O-C 3.54Å; I120-N122 VanDerWaalsContact O-C 3.28Å; I120-N122 PolarHBondContact O-N 2.79Å; N122-N124 PolarHBondContact O-N 3.3Å; N122-N124 WeakPolarHBondContact OD1-CA 3.37Å; N122-N124 WeakPolarHBondContact OD1-CB 3.32Å; N122-N124 PolarHBondContact OD1-N 2.97Å; N122-Y125 WeakPolarHBondContact O-CB 3.44Å; N122-Y125 WeakPolarHBondContact O-CD1 3.21Å; N122-Y125 PolarHBondContact O-N 2.69Å; N122-T128 PolarHBondContact ND2-OG1 2.92Å
123P69.6Low65.4Low116 Ų116140.8 Ų140.875%0.75368%0.679SS**THydrogen-bonded Turntrans-62.9-12.1174.723.2-31.9000113.4
124N66.3Low63.4Low70 Ų70138 Ų13837%0.37468%0.683SS.*THydrogen-bonded Turntrans-108.224.1175.2-77.6-34.3000113.1N122 E126 K127 T128N122-N124 PolarHBondContact O-N 3.3Å; N122-N124 WeakPolarHBondContact OD1-CA 3.37Å; N122-N124 WeakPolarHBondContact OD1-CB 3.32Å; N122-N124 PolarHBondContact OD1-N 2.97Å; N124-E126 PolarHBondContact O-N 3.34Å; N124-K127 HydrophobicContact CB-CB 4.2Å; N124-K127 HydrophobicContact CB-CD 4.18Å; N124-K127 HydrophobicContact CB-CG 4.3Å; N124-K127 WeakPolarHBondContact O-CB 3.16Å; N124-K127 PolarHBondContact O-N 2.77Å; N124-K127 VanDerWaalsContact OD1-CD 3.23Å; N124-K127 WeakPolarHBondContact OD1-CD 3.41Å; N124-K127 WeakPolarHBondContact OD1-CE 3.41Å; N124-K127 PolarHBondContact OD1-NZ 2.83Å; N124-T128 PolarHBondContact O-N 2.96Å; N124-T128 PolarHBondContact O-OG1 2.93Å; N124-T128 VanDerWaalsContact O-OG1 3.06Å
125Y69.3Low61.4Low113 Ų113140.1 Ų140.144%0.44368%0.682SS.*Hα-helixtrans-54.8-37.1178.876.5-82.6000112I120 N122 K127 T128 A129I120-Y125 HydrophobicContact CB-CD1 4.22Å; I120-Y125 HydrophobicContact CB-CE1 4.48Å; I120-Y125 HydrophobicContact CD1-CD1 3.76Å; I120-Y125 HydrophobicContact CD1-CE1 3.26Å; I120-Y125 HydrophobicContact CD1-CE2 4.26Å; I120-Y125 HydrophobicContact CD1-CG 4.43Å; I120-Y125 HydrophobicContact CG1-CE1 4.44Å; I120-Y125 HydrophobicContact CG2-CD1 3.69Å; I120-Y125 HydrophobicContact CG2-CE1 4.34Å; I120-Y125 HydrophobicContact CG2-CG 3.93Å; N122-Y125 WeakPolarHBondContact O-CB 3.44Å; N122-Y125 WeakPolarHBondContact O-CD1 3.21Å; N122-Y125 PolarHBondContact O-N 2.69Å; Y125-K127 VanDerWaalsContact C-N 3.32Å; Y125-K127 PolarHBondContact O-N 3.02Å; Y125-T128 PolarHBondContact O-N 3.35Å; Y125-A129 PolarHBondContact O-N 3.39Å
126E63.8Low59.5Low116 Ų116146.5 Ų146.554%0.54270%0.697SS.*Hα-helixtrans-62.9-34.2174.9-60-166.9154.800113.4N124 T128N124-E126 PolarHBondContact O-N 3.34Å; E126-T128 VanDerWaalsContact C-N 3.33Å
127K62Low57.8Low138 Ų138144.8 Ų144.860%0.669%0.691SS**Hα-helixtrans-74.9-25.7179.3-60.4-172.3-174.1154.20112.3N124 Y125N124-K127 HydrophobicContact CB-CB 4.2Å; N124-K127 HydrophobicContact CB-CD 4.18Å; N124-K127 HydrophobicContact CB-CG 4.3Å; N124-K127 WeakPolarHBondContact O-CB 3.16Å; N124-K127 PolarHBondContact O-N 2.77Å; N124-K127 VanDerWaalsContact OD1-CD 3.23Å; N124-K127 WeakPolarHBondContact OD1-CD 3.41Å; N124-K127 WeakPolarHBondContact OD1-CE 3.41Å; N124-K127 PolarHBondContact OD1-NZ 2.83Å; Y125-K127 VanDerWaalsContact C-N 3.32Å; Y125-K127 PolarHBondContact O-N 3.02Å
128T57.1Low56.6Low92 Ų92148.6 Ų148.656%0.56470%0.702SS**Hα-helixtrans-80.1-34.7-177-38.20000111.2N122 N124 Y125 E126 R130N122-T128 PolarHBondContact ND2-OG1 2.92Å; N124-T128 PolarHBondContact O-N 2.96Å; N124-T128 PolarHBondContact O-OG1 2.93Å; N124-T128 VanDerWaalsContact O-OG1 3.06Å; Y125-T128 PolarHBondContact O-N 3.35Å; E126-T128 VanDerWaalsContact C-N 3.33Å; T128-R130 PolarHBondContact O-N 2.9Å
129A56.3Low55.9Low81 Ų81152.7 Ų152.767%0.66970%0.703SS**Hα-helixtrans-68.8-31.4178.100000113.3Y125 R131Y125-A129 PolarHBondContact O-N 3.39Å; A129-R131 VanDerWaalsContact C-N 3.28Å; A129-R131 PolarHBondContact O-N 2.97Å
130R52.9Low55.2Low206 Ų206151.1 Ų151.178%0.77770%0.695SS**G310 helixtrans-73-9.7-175.8-71.6-173.2-179.6-179.13.4115.1T128 R132T128-R130 PolarHBondContact O-N 2.9Å; R130-R132 PolarHBondContact O-N 3.27Å
131R51.1Low54.5Low230 Ų230154.1 Ų154.187%0.86871%0.706SS**G310 helixtrans-84.6-1.8-175.3-74.5-166.4179.1-171.60.5116A129A129-R131 VanDerWaalsContact C-N 3.28Å; A129-R131 PolarHBondContact O-N 2.97Å
132R52.1Low53.8Low235 Ų235148.1 Ų148.189%0.88769%0.691SS**G310 helixtrans-98.1-10.4179.4-76.5-170.7179.1178.20.8116R130R130-R132 PolarHBondContact O-N 3.27Å
133H41.1Very low52.9Low173 Ų173153.1 Ų153.180%0.80171%0.711SS**SBendtrans-126.3112.6170.8-91.1-73.9000109.9Y135H133-Y135 PolarHBondContact O-N 3.43Å
134G39.6Very low51.7Low82 Ų82155.5 Ų155.585%0.84571%0.708SS**  trans-51.4111.517700000111R136G134-R136 PolarHBondContact O-N 3.48Å; G134-R136 VanDerWaalsContact O-N 3.12Å
135Y40.4Very low50.7Low194 Ų194161.6 Ų161.676%0.76173%0.732SS**  trans-71.799.9163.3-149.5-85.1000106.5H133 M137H133-Y135 PolarHBondContact O-N 3.43Å; Y135-M137 HydrophobicContact CD1-CE 3.42Å; Y135-M137 VanDerWaalsContact CD1-CE 3.42Å; Y135-M137 HydrophobicContact CD1-CG 3.95Å; Y135-M137 HydrophobicContact CD1-SD 3.58Å; Y135-M137 VanDerWaalsContact CD1-SD 3.58Å; Y135-M137 HydrophobicContact CE1-CE 3.35Å; Y135-M137 HydrophobicContact CE1-CG 4.41Å; Y135-M137 HydrophobicContact CE1-SD 3.44Å; Y135-M137 WeakPolarHBondContact CE1-SD 3.38Å; Y135-M137 HydrophobicContact CG-CE 4.45Å; Y135-M137 PolarHBondContact O-N 3.11Å; Y135-M137 VanDerWaalsContact O-N 3.14Å
136R39Very low49.3Very low192 Ų192165.4 Ų165.473%0.72575%0.754SS**  trans-72.896.6166.8-166.3177.9-167.9170.53.1106.2G134 Y138G134-R136 PolarHBondContact O-N 3.48Å; G134-R136 VanDerWaalsContact O-N 3.12Å; R136-Y138 PolarHBondContact O-N 2.85Å
137M38.4Very low48.1Very low149 Ų149169.5 Ų169.573%0.73477%0.772SS**  trans-69.1120.9161.6-67.5-69.6-177.300106.6Y135Y135-M137 HydrophobicContact CD1-CE 3.42Å; Y135-M137 VanDerWaalsContact CD1-CE 3.42Å; Y135-M137 HydrophobicContact CD1-CG 3.95Å; Y135-M137 HydrophobicContact CD1-SD 3.58Å; Y135-M137 VanDerWaalsContact CD1-SD 3.58Å; Y135-M137 HydrophobicContact CE1-CE 3.35Å; Y135-M137 HydrophobicContact CE1-CG 4.41Å; Y135-M137 HydrophobicContact CE1-SD 3.44Å; Y135-M137 WeakPolarHBondContact CE1-SD 3.38Å; Y135-M137 HydrophobicContact CG-CE 4.45Å; Y135-M137 PolarHBondContact O-N 3.11Å; Y135-M137 VanDerWaalsContact O-N 3.14Å
138Y46.7Very low46.8Very low262 Ų262172.4 Ų172.4100%1.02779%0.787SS**  trans-81.60161.2-59.1-88.7000108.3R136R136-Y138 PolarHBondContact O-N 2.85Å

Retrieved 138 of 138 residues in 235.5 ms (Link to these results)

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