A0A060VW16_ONCMY Loading...

Small ribosomal subunit protein uS17m

AlphaFold DB , UniProt , Accession A0A060VW16, Species ONCMY (Oncorhynchus mykiss, Rainbow trout), Gene n/a, Length 150 aa.

Structure Viewer
Loading PAE data...
(Predicted Aligned Error values between residue pairs)
Error loading PAE data: please refresh the page.

 

Download Structure   PDB   PAE   Table  
Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M55.4Low81.7Confident236 Ų236114.7 Ų114.7100%1.16361%0.614SS**  0110.40-68.1-59.7-142.600108.9
2S72.1Confident83Confident124 Ų124117.7 Ų117.787%0.86761%0.61SS**  trans-75.8123.3-179-174.80000110.3K4S2-K4 PolarHBondContact O-N 3.47Å
3V73.8Confident84.1Confident120 Ų120109.6 Ų109.673%0.72757%0.568SS**  trans-70.5117.3178.8-178.30000108.4Q5V3-Q5 PolarHBondContact O-N 3.01Å
4K74.1Confident85.1Confident150 Ų150108.8 Ų108.865%0.65256%0.564SS**  trans-58.3110.3173.3-72.2-174.7171.2-172.90109.2S2 A70 E71S2-K4 PolarHBondContact O-N 3.47Å; K4-A70 HydrophobicContact CB-CB 3.93Å; K4-E71 IonicContact NZ-OE1 2.81Å; K4-E71 PolarHBondContact NZ-OE1 2.93Å
5Q78.4Confident85.9Confident159 Ų159101.9 Ų101.974%0.74353%0.53SS*.  trans-83.6139.5179.9-63.5-170.4-5.400110.8V3V3-Q5 PolarHBondContact O-N 3.01Å
6A84Confident86.7Confident22 Ų22105.4 Ų105.418%0.18253%0.534CS..  trans-70.9136.4172.600000111V8 A68 L69A6-V8 PolarHBondContact O-N 3.17Å; A6-A68 HydrophobicContact CB-CB 3.66Å; A6-L69 WeakPolarHBondContact CB-O 3.1Å
7S87.1Confident87.4Confident122 Ų12299.4 Ų99.485%0.85350%0.503SS*.SBendtrans-78.40.9176.760.60000114.1
8V92.6Very high88Confident34 Ų3496.9 Ų96.921%0.20649%0.491CS..  trans-91.3132.7-176.2-173.30000110.1A6 A10 K78A6-V8 PolarHBondContact O-N 3.17Å; V8-A10 VanDerWaalsContact C-N 3.27Å; V8-A10 HydrophobicContact CG1-CB 4.33Å; V8-A10 PolarHBondContact O-N 3.31Å; V8-K78 HydrophobicContact CG2-CB 4.33Å; V8-K78 HydrophobicContact CG2-CD 4.23Å
9H92.6Very high88.5Confident172 Ų17292.7 Ų92.780%0.79648%0.475SS*.SBendtrans-58.6-37.4177.6176.176.1000113.2K11H9-K11 PolarHBondContact O-N 3Å; H9-K11 VanDerWaalsContact O-N 3.12Å
10A93.8Very high88.9Confident7 Ų791.1 Ų91.16%0.05847%0.469CS..  trans-8284.4177.600000110.9V8 I13 Y49 H79V8-A10 VanDerWaalsContact C-N 3.27Å; V8-A10 HydrophobicContact CG1-CB 4.33Å; V8-A10 PolarHBondContact O-N 3.31Å; A10-I13 HydrophobicContact CB-CD1 4.4Å; A10-I13 HydrophobicContact CB-CG2 3.86Å; A10-Y49 HydrophobicContact CB-CE1 4.45Å; A10-H79 PolarHBondContact O-CE1 2.82Å
11K95.2Very high89.3Confident116 Ų11696.8 Ų96.850%0.50449%0.491SS..SBendtrans-72.8-47.1-179.6-66.8-179.6-179.8177.30112.9H9 K67 A68H9-K11 PolarHBondContact O-N 3Å; H9-K11 VanDerWaalsContact O-N 3.12Å; K11-K67 CarbonylContact O-C 3.56Å; K11-A68 PolarHBondContact O-N 3.45Å
12W96.8Very high91.2Very high150 Ų15090.2 Ų90.257%0.56846%0.458SS*.EExtended strand (participates in β ladder)trans-130.8129177.3-66.9100000108.7L65 L66 K67 A82W12-L65 HydrophobicContact CE3-CD1 4.01Å; W12-L65 HydrophobicContact CE3-CD2 4.02Å; W12-L65 HydrophobicContact CE3-CG 3.97Å; W12-L65 HydrophobicContact CZ3-CD2 3.83Å; W12-L65 HydrophobicContact CZ3-CG 4.11Å; W12-L66 WeakPolarHBondContact CA-O 3.42Å; W12-K67 HydrophobicContact CD2-CG 4.46Å; W12-K67 HydrophobicContact CE3-CB 3.97Å; W12-K67 HydrophobicContact CE3-CG 4.29Å; W12-K67 HydrophobicContact CH2-CB 4.06Å; W12-K67 HydrophobicContact CH2-CD 3.56Å; W12-K67 HydrophobicContact CH2-CG 3.85Å; W12-K67 HydrophobicContact CZ2-CD 3.83Å; W12-K67 HydrophobicContact CZ2-CG 3.97Å; W12-K67 HydrophobicContact CZ3-CB 3.71Å; W12-K67 HydrophobicContact CZ3-CD 4.09Å; W12-K67 HydrophobicContact CZ3-CG 4Å; W12-A82 HydrophobicContact CZ3-CB 3.88Å
13I97.2Very high92.3Very high13 Ų1391.4 Ų91.47%0.06745%0.45CS..EExtended strand (participates in β ladder)trans-143.8137.5179.157.1-170000109.9A10 V30 Y49 L66A10-I13 HydrophobicContact CB-CD1 4.4Å; A10-I13 HydrophobicContact CB-CG2 3.86Å; I13-V30 HydrophobicContact CB-CG1 4.39Å; I13-V30 HydrophobicContact CB-CG2 4.28Å; I13-V30 HydrophobicContact CD1-CG2 4.06Å; I13-V30 HydrophobicContact CG1-CG2 4.23Å; I13-Y49 HydrophobicContact CD1-CD1 3.84Å; I13-Y49 HydrophobicContact CD1-CD2 3.97Å; I13-Y49 HydrophobicContact CD1-CE1 3.98Å; I13-Y49 HydrophobicContact CD1-CE2 4.14Å; I13-Y49 HydrophobicContact CD1-CG 3.8Å; I13-L66 HydrophobicContact CD1-CB 4.38Å; I13-L66 HydrophobicContact CD1-CD1 4.13Å; I13-L66 HydrophobicContact CG1-CB 3.7Å; I13-L66 HydrophobicContact CG1-CD1 4.08Å; I13-L66 HydrophobicContact CG1-CG 4.3Å; I13-L66 PolarHBondContact N-O 3.26Å; I13-L66 PolarHBondContact O-N 2.99Å
14I97.9Very high93.4Very high98 Ų9891.2 Ų91.250%0.50344%0.439SS..EExtended strand (participates in β ladder)trans-99.2140.2171.4-65172.3000108.2I63 V64 L65I14-I63 HydrophobicContact CG2-CG2 3.6Å; I14-V64 WeakPolarHBondContact CA-O 3.49Å; I14-L65 HydrophobicContact CD1-CD1 4.34Å; I14-L65 HydrophobicContact CG1-CD1 3.62Å
15G97.9Very high94.5Very high6 Ų685 Ų856%0.06242%0.415CS..EExtended strand (participates in β ladder)trans-159171.3176.700000113.1R29 I63 V64G15-R29 CarbonylContact C-O 3.46Å; G15-R29 WeakPolarHBondContact CA-O 3.42Å; G15-I63 WeakPolarHBondContact O-CA 3.43Å; G15-V64 PolarHBondContact N-O 3.23Å; G15-V64 WeakPolarHBondContact O-CG2 3.32Å; G15-V64 PolarHBondContact O-N 3.4Å
16R98.3Very high95.4Very high158 Ų15877.6 Ų77.660%0.59638%0.38SS*.EExtended strand (participates in β ladder)trans-98.8132.2178.4-175175.8173.3-166.7-4.6110.8I18 V28 R29 D62R16-I18 PolarHBondContact O-N 3.4Å; R16-V28 CarbonylContact O-C 3.52Å; R16-R29 PolarHBondContact N-O 3.25Å; R16-R29 PolarHBondContact O-N 3.1Å; R16-D62 CarbonylContact C-O 3.21Å; R16-D62 VanDerWaalsContact CA-O 3.29Å; R16-D62 WeakPolarHBondContact CA-O 3.36Å
17V98.4Very high96.1Very high2 Ų280.5 Ų80.51%0.01239%0.389CS..EExtended strand (participates in β ladder)trans-68.8122.3176.2-177.90000109.6T20 V28 C58 T59 G61 D62 V64V17-T20 HydrophobicContact CG1-CG2 3.74Å; V17-V28 HydrophobicContact CG2-CG2 4.35Å; V17-C58 HydrophobicContact CG2-CB 4.3Å; V17-T59 WeakPolarHBondContact CB-O 3.35Å; V17-T59 WeakPolarHBondContact CG1-O 3.35Å; V17-G61 PolarHBondContact O-N 3.29Å; V17-D62 HydrophobicContact CG2-CB 4.06Å; V17-D62 PolarHBondContact N-O 3.34Å; V17-V64 HydrophobicContact CG2-CB 4.42Å; V17-V64 HydrophobicContact CG2-CG1 3.68Å; V17-V64 HydrophobicContact CG2-CG2 3.8Å
18I98Very high96.6Very high56 Ų5674.7 Ų74.729%0.28735%0.348SS..EExtended strand (participates in β ladder)trans-92.9-35.7175.5-50.9166.2000110.6R16 K27 R29 T48 V60R16-I18 PolarHBondContact O-N 3.4Å; I18-K27 PolarHBondContact N-O 3.15Å; I18-R29 HydrophobicContact CD1-CB 3.6Å; I18-R29 HydrophobicContact CD1-CG 4.14Å; I18-R29 HydrophobicContact CG1-CB 3.66Å; I18-T48 HydrophobicContact CD1-CG2 3.91Å; I18-V60 WeakPolarHBondContact O-CG1 3.15Å
19G97.3Very high96.9Very high17 Ų1778.1 Ų78.118%0.17536%0.357CS..EExtended strand (participates in β ladder)trans-163.6145.5-172.400000113.9K27G19-K27 PolarHBondContact N-O 3.29Å; G19-K27 WeakPolarHBondContact O-CB 3.3Å; G19-K27 PolarHBondContact O-N 3.42Å
20T97.3Very high97.2Very high60 Ų6070.1 Ų70.137%0.36832%0.321SS..EExtended strand (participates in β ladder)trans-127.519.3-175.953.10000112V17 M22 C58V17-T20 HydrophobicContact CG1-CG2 3.74Å; T20-M22 PolarHBondContact O-N 3.29Å; T20-M22 VanDerWaalsContact O-N 3.14Å; T20-C58 HydrophobicContact CG2-CB 4.12Å; T20-C58 WeakPolarHBondContact CG2-O 3.44Å
21K96.5Very high97.4Very high211 Ų21173.9 Ų73.992%0.91734%0.343SS*.EExtended strand (participates in β ladder)trans-63.8-17.3-179.2-65.2-172.5176.4-1730114
22M95.7Very high97.4Very high97 Ų9773 Ų7348%0.47834%0.336SS..EExtended strand (participates in β ladder)trans-92.8142.9-177.6-65.617464.400110.7T20 K24 T25 F50T20-M22 PolarHBondContact O-N 3.29Å; T20-M22 VanDerWaalsContact O-N 3.14Å; M22-K24 PolarHBondContact O-N 3.17Å; M22-T25 HydrophobicContact CE-CG2 4.12Å; M22-T25 PolarHBondContact O-N 2.98Å; M22-T25 HydrophobicContact SD-CG2 4.48Å; M22-F50 HydrophobicContact SD-CD1 4.05Å; M22-F50 HydrophobicContact SD-CE1 3.73Å
23Q95.8Very high97.5Very high150 Ų15071.3 Ų71.370%0.70134%0.338SS*.THydrogen-bonded Turntrans-62.6126.7177.1-65.7-62.2-21.300111.2T25Q23-T25 PolarHBondContact O-N 3.36Å; Q23-T25 PolarHBondContact O-OG1 3.45Å
24K96.3Very high97.5Very high115 Ų11573.7 Ų73.750%0.535%0.353SS..THydrogen-bonded Turntrans51.229176.1-57.6-174.4177.6-178.30114M22 H52 D53 Q56M22-K24 PolarHBondContact O-N 3.17Å; K24-H52 PolarHBondContact O-CE1 3.36Å; K24-H52 PolarHBondContact O-ND1 2.91Å; K24-D53 CarbonylContact C-O 3.55Å; K24-D53 WeakPolarHBondContact CA-O 3.26Å; K24-D53 VanDerWaalsContact CB-O 3.23Å; K24-D53 WeakPolarHBondContact CB-O 3.24Å; K24-D53 PolarHBondContact O-N 3.38Å; K24-D53 VanDerWaalsContact O-O 3.14Å; K24-Q56 HydrophobicContact CG-CG 4.23Å
25T97.6Very high97.6Very high21 Ų2172.7 Ų72.713%0.12935%0.348CS..EExtended strand (participates in β ladder)trans-145.5124.7-175.3-51.70000110.2M22 Q23 F50 A51 V77M22-T25 HydrophobicContact CE-CG2 4.12Å; M22-T25 PolarHBondContact O-N 2.98Å; M22-T25 HydrophobicContact SD-CG2 4.48Å; Q23-T25 PolarHBondContact O-N 3.36Å; Q23-T25 PolarHBondContact O-OG1 3.45Å; T25-F50 HydrophobicContact CG2-CB 4.18Å; T25-F50 HydrophobicContact CG2-CD1 4.19Å; T25-A51 CarbonylContact C-O 3.58Å; T25-A51 VanDerWaalsContact CA-O 3.27Å; T25-A51 WeakPolarHBondContact CA-O 3.3Å; T25-A51 WeakPolarHBondContact CG2-O 3.38Å; T25-V77 HydrophobicContact CG2-CG2 4.07Å
26A97.8Very high97.6Very high2 Ų274.9 Ų74.92%0.01736%0.358CS..EExtended strand (participates in β ladder)trans-100.7136.617500000111V28 A51 C58A26-V28 HydrophobicContact CB-CG2 4.28Å; A26-A51 PolarHBondContact N-O 2.82Å; A26-A51 PolarHBondContact O-N 3.23Å; A26-C58 HydrophobicContact CB-CB 4.26Å
27K98.3Very high97.6Very high84 Ų8472.7 Ų72.737%0.36537%0.365SS..EExtended strand (participates in β ladder)trans-92.8114.2170.9-174.7178.9-177.6175.30109.1I18 G19 F50I18-K27 PolarHBondContact N-O 3.15Å; G19-K27 PolarHBondContact N-O 3.29Å; G19-K27 WeakPolarHBondContact O-CB 3.3Å; G19-K27 PolarHBondContact O-N 3.42Å; K27-F50 HydrophobicContact CB-CD1 4.43Å; K27-F50 HydrophobicContact CB-CE1 4.26Å; K27-F50 HydrophobicContact CD-CE1 4.37Å; K27-F50 HydrophobicContact CG-CE1 4.14Å
28V98.3Very high97.5Very high0 Ų082.5 Ų82.50%040%0.403CS..EExtended strand (participates in β ladder)trans-114.9134.4-172-175.40000110.9R16 V17 A26 V30 T48 Y49 A51 V64 L66R16-V28 CarbonylContact O-C 3.52Å; V17-V28 HydrophobicContact CG2-CG2 4.35Å; A26-V28 HydrophobicContact CB-CG2 4.28Å; V28-V30 HydrophobicContact CG1-CG2 4.46Å; V28-T48 CarbonylContact O-C 3.44Å; V28-T48 WeakPolarHBondContact O-CA 3.47Å; V28-Y49 PolarHBondContact N-O 2.99Å; V28-Y49 PolarHBondContact O-N 2.75Å; V28-A51 HydrophobicContact CG2-CB 4.35Å; V28-V64 HydrophobicContact CG1-CG2 3.85Å; V28-V64 HydrophobicContact CG2-CG2 3.89Å; V28-L66 HydrophobicContact CB-CD1 3.93Å; V28-L66 HydrophobicContact CG1-CD1 3.98Å; V28-L66 HydrophobicContact CG2-CD1 4.03Å; V28-L66 HydrophobicContact CG2-CD2 4.33Å
29R98.5Very high97.5Very high105 Ų10584.2 Ų84.240%0.39641%0.412SS..EExtended strand (participates in β ladder)trans-90.7120.7170.3-159.2170.1-76.5166.6-1.2109.4G15 R16 I18 R46G15-R29 CarbonylContact C-O 3.46Å; G15-R29 WeakPolarHBondContact CA-O 3.42Å; R16-R29 PolarHBondContact N-O 3.25Å; R16-R29 PolarHBondContact O-N 3.1Å; I18-R29 HydrophobicContact CD1-CB 3.6Å; I18-R29 HydrophobicContact CD1-CG 4.14Å; I18-R29 HydrophobicContact CG1-CB 3.66Å; R29-R46 HydrophobicContact CG-CB 4.08Å
30V98.1Very high97.5Very high5 Ų589.6 Ų89.63%0.0344%0.436CS..EExtended strand (participates in β ladder)trans-106.8129.3170.1177.90000108.4I13 V28 R32 R46 K47 Y49I13-V30 HydrophobicContact CB-CG1 4.39Å; I13-V30 HydrophobicContact CB-CG2 4.28Å; I13-V30 HydrophobicContact CD1-CG2 4.06Å; I13-V30 HydrophobicContact CG1-CG2 4.23Å; V28-V30 HydrophobicContact CG1-CG2 4.46Å; V30-R32 HydrophobicContact CG1-CG 4.4Å; V30-R46 CarbonylContact O-C 3.54Å; V30-R46 WeakPolarHBondContact O-CA 3.49Å; V30-K47 PolarHBondContact N-O 3.28Å; V30-K47 PolarHBondContact O-N 2.72Å; V30-Y49 HydrophobicContact CB-CD2 3.87Å; V30-Y49 HydrophobicContact CB-CE2 3.91Å; V30-Y49 HydrophobicContact CG1-CE2 4.47Å; V30-Y49 HydrophobicContact CG2-CD2 3.57Å; V30-Y49 HydrophobicContact CG2-CE2 4.02Å; V30-Y49 HydrophobicContact CG2-CG 4.45Å
31T97.4Very high97.6Very high85 Ų8592.6 Ų92.652%0.52144%0.444SS..EExtended strand (participates in β ladder)trans-104.4131.4175.742.70000109.3R46T31-R46 HydrophobicContact CG2-CB 4.44Å
32R97.1Very high97.7Very high99 Ų9989.5 Ų89.537%0.37443%0.428SS..EExtended strand (participates in β ladder)trans-124.2144.2173.6-60.8-177.9-179.5-159.6-6.5108.8V30 K45V30-R32 HydrophobicContact CG1-CG 4.4Å; R32-K45 PolarHBondContact N-O 2.91Å; R32-K45 PolarHBondContact O-N 2.95Å
33L97.8Very high97.8Very high114 Ų11489.7 Ų89.760%0.59742%0.424SS*.EExtended strand (participates in β ladder)trans-78.1126.1170.3-65.9173.5000108.8Y42 N44L33-Y42 HydrophobicContact CB-CD1 3.96Å; L33-Y42 HydrophobicContact CB-CG 4.46Å; L33-N44 WeakPolarHBondContact CD2-OD1 3.41Å
34V98.2Very high97.9Very high63 Ų6388.3 Ų88.338%0.38242%0.422SS..EExtended strand (participates in β ladder)trans-122.8130.2175.8178.50000107.9Y42 Y43 K45V34-Y42 WeakPolarHBondContact O-CA 3.46Å; V34-Y43 PolarHBondContact N-O 3.45Å; V34-Y43 PolarHBondContact O-N 3.23Å; V34-K45 HydrophobicContact CB-CB 4.28Å; V34-K45 HydrophobicContact CG2-CB 3.64Å; V34-K45 HydrophobicContact CG2-CD 3.86Å; V34-K45 HydrophobicContact CG2-CG 4.39Å
35L98.3Very high98Very high77 Ų7789.5 Ų89.540%0.40343%0.427SS..EExtended strand (participates in β ladder)trans-73.8127.6176.5-174.868.3000109.4L40 Y42L35-L40 HydrophobicContact CD2-CD2 4.47Å; L35-Y42 HydrophobicContact CB-CD1 4.15Å; L35-Y42 HydrophobicContact CB-CE1 3.84Å; L35-Y42 HydrophobicContact CD1-CD1 4.46Å; L35-Y42 HydrophobicContact CD1-CD2 4.29Å; L35-Y42 HydrophobicContact CD1-CE1 4.26Å; L35-Y42 HydrophobicContact CD1-CE2 4.07Å; L35-Y42 HydrophobicContact CD1-CG 4.48Å
36D98.2Very high98Very high51 Ų5197.3 Ų97.327%0.27345%0.454SS..  trans-78.7121.6164.3-171.6-44.8000109Y38 L39 L40 K41 Y43D36-Y38 VanDerWaalsContact C-N 3.28Å; D36-Y38 PolarHBondContact O-N 3.32Å; D36-Y38 PolarHBondContact OD1-N 3.16Å; D36-L39 HydrophobicContact CB-CB 4.45Å; D36-L39 PolarHBondContact OD1-N 3.12Å; D36-L39 WeakPolarHBondContact OD2-CD1 3.35Å; D36-L40 VanDerWaalsContact O-CA 3.24Å; D36-L40 WeakPolarHBondContact O-CA 3.24Å; D36-L40 PolarHBondContact O-N 2.97Å; D36-K41 PolarHBondContact N-O 2.99Å; D36-Y43 HydrophobicContact CB-CD2 3.96Å; D36-Y43 HydrophobicContact CB-CE2 3.88Å
37P97.8Very high98Very high113 Ų113103.1 Ų103.173%0.73448%0.479SS*.THydrogen-bonded Turntrans-68.6-24.6-175.628.8-35.4000113.6
38Y98.1Very high98Very high207 Ų207102.5 Ų102.581%0.81248%0.482SS*.THydrogen-bonded Turntrans-83.8-48.6-179.5179.2-106.6000111.2D36D36-Y38 VanDerWaalsContact C-N 3.28Å; D36-Y38 PolarHBondContact O-N 3.32Å; D36-Y38 PolarHBondContact OD1-N 3.16Å
39L97.8Very high97.9Very high93 Ų93103.8 Ų103.849%0.48749%0.487SS..THydrogen-bonded Turntrans-86.4-11.4-177.5-67.696.7000113.8D36 K41D36-L39 HydrophobicContact CB-CB 4.45Å; D36-L39 PolarHBondContact OD1-N 3.12Å; D36-L39 WeakPolarHBondContact OD2-CD1 3.35Å; L39-K41 HydrophobicContact CB-CB 4.36Å; L39-K41 PolarHBondContact O-N 2.81Å; L39-K41 VanDerWaalsContact O-N 3.1Å
40L97.8Very high97.9Very high130 Ų130100.9 Ų100.968%0.68148%0.477SS*.  trans50.533.3-173.2-61.1175000113.4L35 D36L35-L40 HydrophobicContact CD2-CD2 4.47Å; D36-L40 VanDerWaalsContact O-CA 3.24Å; D36-L40 WeakPolarHBondContact O-CA 3.24Å; D36-L40 PolarHBondContact O-N 2.97Å
41K98.4Very high97.9Very high123 Ų123100.7 Ų100.754%0.53548%0.476SS..  trans-116.7140.8179.6-175.3170.2175.9-178.20110.6D36 L39 Y43D36-K41 PolarHBondContact N-O 2.99Å; L39-K41 HydrophobicContact CB-CB 4.36Å; L39-K41 PolarHBondContact O-N 2.81Å; L39-K41 VanDerWaalsContact O-N 3.1Å; K41-Y43 HydrophobicContact CB-CE2 3.9Å; K41-Y43 HydrophobicContact CD-CE1 4.31Å; K41-Y43 HydrophobicContact CD-CE2 4.46Å; K41-Y43 HydrophobicContact CG-CE2 4.12Å; K41-Y43 WeakPolarHBondContact O-CD2 3.46Å
42Y98.4Very high97.9Very high146 Ų14697.5 Ų97.557%0.57346%0.455SS*.EExtended strand (participates in β ladder)trans-80.6132.5175.6-72.3-81.3000111.5L33 V34 L35L33-Y42 HydrophobicContact CB-CD1 3.96Å; L33-Y42 HydrophobicContact CB-CG 4.46Å; V34-Y42 WeakPolarHBondContact O-CA 3.46Å; L35-Y42 HydrophobicContact CB-CD1 4.15Å; L35-Y42 HydrophobicContact CB-CE1 3.84Å; L35-Y42 HydrophobicContact CD1-CD1 4.46Å; L35-Y42 HydrophobicContact CD1-CD2 4.29Å; L35-Y42 HydrophobicContact CD1-CE1 4.26Å; L35-Y42 HydrophobicContact CD1-CE2 4.07Å; L35-Y42 HydrophobicContact CD1-CG 4.48Å
43Y98.1Very high97.9Very high100 Ų10093.1 Ų93.139%0.39244%0.439SS..EExtended strand (participates in β ladder)trans-123.9150.1174.5-65.3-81.1000111.7V34 D36 K41 K45V34-Y43 PolarHBondContact N-O 3.45Å; V34-Y43 PolarHBondContact O-N 3.23Å; D36-Y43 HydrophobicContact CB-CD2 3.96Å; D36-Y43 HydrophobicContact CB-CE2 3.88Å; K41-Y43 HydrophobicContact CB-CE2 3.9Å; K41-Y43 HydrophobicContact CD-CE1 4.31Å; K41-Y43 HydrophobicContact CD-CE2 4.46Å; K41-Y43 HydrophobicContact CG-CE2 4.12Å; K41-Y43 WeakPolarHBondContact O-CD2 3.46Å; Y43-K45 PolarHBondContact O-N 3.31Å
44N98Very high97.7Very high122 Ų12290.5 Ų90.565%0.65243%0.434SS*.EExtended strand (participates in β ladder)trans-75.4104.3178.6-73.8-34.9000111.1L33L33-N44 WeakPolarHBondContact CD2-OD1 3.41Å
45K98Very high97.6Very high140 Ų14093.5 Ų93.561%0.60945%0.447SS*.EExtended strand (participates in β ladder)trans-93.7120170.8-165.1171.7-172.11690110.2R32 V34 Y43R32-K45 PolarHBondContact N-O 2.91Å; R32-K45 PolarHBondContact O-N 2.95Å; V34-K45 HydrophobicContact CB-CB 4.28Å; V34-K45 HydrophobicContact CG2-CB 3.64Å; V34-K45 HydrophobicContact CG2-CD 3.86Å; V34-K45 HydrophobicContact CG2-CG 4.39Å; Y43-K45 PolarHBondContact O-N 3.31Å
46R97.6Very high97.5Very high185 Ų18594.6 Ų94.670%0.69845%0.45SS*.EExtended strand (participates in β ladder)trans-91.5141.8179.165.4-172.4-178.9-128.51.9112R29 V30 T31R29-R46 HydrophobicContact CG-CB 4.08Å; V30-R46 CarbonylContact O-C 3.54Å; V30-R46 WeakPolarHBondContact O-CA 3.49Å; T31-R46 HydrophobicContact CG2-CB 4.44Å
47K97.4Very high97.3Very high124 Ų12497.1 Ų97.154%0.53946%0.461SS..EExtended strand (participates in β ladder)trans-137.4139.9169.4-177170.5175.6178.60109.8V30 Y49V30-K47 PolarHBondContact N-O 3.28Å; V30-K47 PolarHBondContact O-N 2.72Å; K47-Y49 HydrophobicContact CB-CE2 3.94Å; K47-Y49 HydrophobicContact CD-CE2 3.8Å; K47-Y49 WeakPolarHBondContact CD-OH 3.3Å; K47-Y49 HydrophobicContact CG-CD2 4.27Å; K47-Y49 HydrophobicContact CG-CE2 3.67Å
48T98Very high97.3Very high71 Ų7192.1 Ų92.144%0.43643%0.428SS..EExtended strand (participates in β ladder)trans-93.8136.6178.353.30000111.1I18 V28I18-T48 HydrophobicContact CD1-CG2 3.91Å; V28-T48 CarbonylContact O-C 3.44Å; V28-T48 WeakPolarHBondContact O-CA 3.47Å
49Y97.6Very high97.2Very high26 Ų2685 Ų8510%0.10241%0.406CS..EExtended strand (participates in β ladder)trans-124.1149.6176.1-71.6-91.5000109.6A10 I13 V28 V30 K47 H79A10-Y49 HydrophobicContact CB-CE1 4.45Å; I13-Y49 HydrophobicContact CD1-CD1 3.84Å; I13-Y49 HydrophobicContact CD1-CD2 3.97Å; I13-Y49 HydrophobicContact CD1-CE1 3.98Å; I13-Y49 HydrophobicContact CD1-CE2 4.14Å; I13-Y49 HydrophobicContact CD1-CG 3.8Å; V28-Y49 PolarHBondContact N-O 2.99Å; V28-Y49 PolarHBondContact O-N 2.75Å; V30-Y49 HydrophobicContact CB-CD2 3.87Å; V30-Y49 HydrophobicContact CB-CE2 3.91Å; V30-Y49 HydrophobicContact CG1-CE2 4.47Å; V30-Y49 HydrophobicContact CG2-CD2 3.57Å; V30-Y49 HydrophobicContact CG2-CE2 4.02Å; V30-Y49 HydrophobicContact CG2-CG 4.45Å; K47-Y49 HydrophobicContact CB-CE2 3.94Å; K47-Y49 HydrophobicContact CD-CE2 3.8Å; K47-Y49 WeakPolarHBondContact CD-OH 3.3Å; K47-Y49 HydrophobicContact CG-CD2 4.27Å; K47-Y49 HydrophobicContact CG-CE2 3.67Å; Y49-H79 AromaticContact CD1-CD2 3.47Å; Y49-H79 VanDerWaalsContact CD1-CD2 3.47Å; Y49-H79 WeakPolarHBondContact CD1-CD2 3.23Å; Y49-H79 AromaticContact CD1-NE2 3.19Å; Y49-H79 WeakPolarHBondContact CD1-NE2 3.17Å; Y49-H79 AromaticContact CE1-NE2 3.47Å; Y49-H79 WeakPolarHBondContact CE1-NE2 3.38Å
50F97.8Very high97.2Very high45 Ų4584.5 Ų84.520%0.19741%0.407CS..EExtended strand (participates in β ladder)trans-105.3125.4170.7-65.3-84.4000108.7M22 T25 K27 H76 V77M22-F50 HydrophobicContact SD-CD1 4.05Å; M22-F50 HydrophobicContact SD-CE1 3.73Å; T25-F50 HydrophobicContact CG2-CB 4.18Å; T25-F50 HydrophobicContact CG2-CD1 4.19Å; K27-F50 HydrophobicContact CB-CD1 4.43Å; K27-F50 HydrophobicContact CB-CE1 4.26Å; K27-F50 HydrophobicContact CD-CE1 4.37Å; K27-F50 HydrophobicContact CG-CE1 4.14Å; F50-H76 HydrophobicContact CD2-CB 3.68Å; F50-H76 HydrophobicContact CE2-CB 4.06Å; F50-H76 HydrophobicContact CG-CB 4.44Å; F50-V77 HydrophobicContact CB-CG2 4.03Å
51A97.6Very high97.2Very high0 Ų079 Ų790%038%0.381CS..EExtended strand (participates in β ladder)trans-111.5136.3177.700000109.4T25 A26 V28 L66 H79T25-A51 CarbonylContact C-O 3.58Å; T25-A51 VanDerWaalsContact CA-O 3.27Å; T25-A51 WeakPolarHBondContact CA-O 3.3Å; T25-A51 WeakPolarHBondContact CG2-O 3.38Å; A26-A51 PolarHBondContact N-O 2.82Å; A26-A51 PolarHBondContact O-N 3.23Å; V28-A51 HydrophobicContact CG2-CB 4.35Å; A51-L66 HydrophobicContact CB-CD1 4.02Å; A51-L66 HydrophobicContact CB-CD2 3.39Å; A51-L66 HydrophobicContact CB-CG 4.31Å; A51-H79 CarbonylContact C-O 3.48Å; A51-H79 WeakPolarHBondContact CA-O 3.49Å
52H97.4Very high97.2Very high18 Ų1873.1 Ų73.18%0.08336%0.355CS..EExtended strand (participates in β ladder)trans-75.2128.1167.4179.455.6000110K24 R73 V77 H79 L81K24-H52 PolarHBondContact O-CE1 3.36Å; K24-H52 PolarHBondContact O-ND1 2.91Å; H52-R73 PolarHBondContact CD2-NH2 2.72Å; H52-R73 PolarHBondContact CE1-NH1 2.92Å; H52-R73 PolarHBondContact CE1-NH2 3Å; H52-R73 VanDerWaalsContact ND1-CZ 3.29Å; H52-R73 PolarHBondContact ND1-NH1 2.86Å; H52-R73 VanDerWaalsContact ND1-NH1 3.15Å; H52-R73 PolarHBondContact NE2-NH1 3.02Å; H52-R73 VanDerWaalsContact NE2-NH1 3.14Å; H52-R73 PolarHBondContact NE2-NH2 2.84Å; H52-V77 HydrophobicContact CB-CG1 3.99Å; H52-H79 PolarHBondContact N-O 2.8Å; H52-L81 PolarHBondContact O-N 3.03Å
53D96.6Very high97.2Very high8 Ų869.1 Ų69.14%0.04334%0.344CS..  trans-122.9109.3173.2178.6-5.9000107.6K24 L55 Q56 Q57 C58 L81K24-D53 CarbonylContact C-O 3.55Å; K24-D53 WeakPolarHBondContact CA-O 3.26Å; K24-D53 VanDerWaalsContact CB-O 3.23Å; K24-D53 WeakPolarHBondContact CB-O 3.24Å; K24-D53 PolarHBondContact O-N 3.38Å; K24-D53 VanDerWaalsContact O-O 3.14Å; D53-L55 VanDerWaalsContact C-N 3.34Å; D53-L55 PolarHBondContact OD1-N 2.8Å; D53-L55 VanDerWaalsContact OD1-N 3.12Å; D53-Q56 PolarHBondContact OD1-N 3.08Å; D53-Q56 WeakPolarHBondContact OD2-CA 3.4Å; D53-Q57 PolarHBondContact OD2-N 3.23Å; D53-C58 PolarHBondContact OD2-N 2.65Å; D53-C58 VanDerWaalsContact OD2-N 3.1Å; D53-C58 PolarHBondContact OD2-SG 3.05Å; D53-L81 HydrophobicContact CB-CB 4.47Å; D53-L81 HydrophobicContact CB-CD2 4.23Å
54A94.8Very high97.2Very high59 Ų5964.4 Ų64.449%0.48833%0.325SS..SBendtrans-69.3-34.5-175.300000112.6
55L96.1Very high97.2Very high126 Ų12660.3 Ų60.366%0.6630%0.303SS*.SBendtrans-102.7-3.9-170.5-60.6176.7000112.7D53 Q57D53-L55 VanDerWaalsContact C-N 3.34Å; D53-L55 PolarHBondContact OD1-N 2.8Å; D53-L55 VanDerWaalsContact OD1-N 3.12Å; L55-Q57 HydrophobicContact CB-CG 3.67Å; L55-Q57 PolarHBondContact O-N 2.85Å
56Q95.4Very high97.2Very high99 Ų9953.6 Ų53.646%0.46327%0.274SS..  trans5536.3-178.8-57.8-174.7-5.500112.7K24 D53 C58K24-Q56 HydrophobicContact CG-CG 4.23Å; D53-Q56 PolarHBondContact OD1-N 3.08Å; D53-Q56 WeakPolarHBondContact OD2-CA 3.4Å; Q56-C58 VanDerWaalsContact C-N 3.34Å
57Q95.2Very high97.1Very high105 Ų10548.9 Ų48.949%0.49126%0.258SS..  trans-79.1-18.7-176.8-70174.3-4.900112.8D53 L55 I84 K87D53-Q57 PolarHBondContact OD2-N 3.23Å; L55-Q57 HydrophobicContact CB-CG 3.67Å; L55-Q57 PolarHBondContact O-N 2.85Å; Q57-I84 HydrophobicContact CB-CD1 4.01Å; Q57-K87 PolarHBondContact O-NZ 2.91Å
58C96.7Very high97.1Very high7 Ų743.5 Ų43.55%0.04724%0.237CC..  trans-66136.2-178.7-66.20000111.8V17 T20 A26 D53 Q56 L81V17-C58 HydrophobicContact CG2-CB 4.3Å; T20-C58 HydrophobicContact CG2-CB 4.12Å; T20-C58 WeakPolarHBondContact CG2-O 3.44Å; A26-C58 HydrophobicContact CB-CB 4.26Å; D53-C58 PolarHBondContact OD2-N 2.65Å; D53-C58 VanDerWaalsContact OD2-N 3.1Å; D53-C58 PolarHBondContact OD2-SG 3.05Å; Q56-C58 VanDerWaalsContact C-N 3.34Å; C58-L81 WeakPolarHBondContact SG-CD2 3.43Å
59T97.3Very high96.9Very high57 Ų5741.5 Ų41.535%0.3522%0.223SC..  trans-110.4156.8166.940.30000111V17 G61 D62 K87 V88V17-T59 WeakPolarHBondContact CB-O 3.35Å; V17-T59 WeakPolarHBondContact CG1-O 3.35Å; T59-G61 PolarHBondContact O-N 3.14Å; T59-D62 PolarHBondContact N-OD2 2.85Å; T59-D62 WeakPolarHBondContact O-CB 3.46Å; T59-D62 VanDerWaalsContact O-CG 3.28Å; T59-D62 PolarHBondContact O-N 3.46Å; T59-D62 PolarHBondContact OG1-OD1 2.82Å; T59-D62 PolarHBondContact OG1-OD2 2.85Å; T59-K87 WeakPolarHBondContact OG1-CE 3.38Å; T59-K87 PolarHBondContact OG1-NZ 3.21Å; T59-V88 WeakPolarHBondContact OG1-CG1 3.49Å
60V97.8Very high96.6Very high84 Ų8442.3 Ų42.351%0.50924%0.235SC..THydrogen-bonded Turntrans-65.5126.1177.6178.80000109I18I18-V60 WeakPolarHBondContact O-CG1 3.15Å
61G97.3Very high96.3Very high13 Ų1346.3 Ų46.313%0.13426%0.255CS..THydrogen-bonded Turntrans104-15.1-178.100000115V17 T59V17-G61 PolarHBondContact O-N 3.29Å; T59-G61 PolarHBondContact O-N 3.14Å
62D98Very high96Very high0 Ų054.8 Ų54.80%029%0.287CS..  trans-60.9148.9177.9-66.6-4.6000112R16 V17 T59 V64 I84 Y86 K87 V88R16-D62 CarbonylContact C-O 3.21Å; R16-D62 VanDerWaalsContact CA-O 3.29Å; R16-D62 WeakPolarHBondContact CA-O 3.36Å; V17-D62 HydrophobicContact CG2-CB 4.06Å; V17-D62 PolarHBondContact N-O 3.34Å; T59-D62 PolarHBondContact N-OD2 2.85Å; T59-D62 WeakPolarHBondContact O-CB 3.46Å; T59-D62 VanDerWaalsContact O-CG 3.28Å; T59-D62 PolarHBondContact O-N 3.46Å; T59-D62 PolarHBondContact OG1-OD1 2.82Å; T59-D62 PolarHBondContact OG1-OD2 2.85Å; D62-V64 HydrophobicContact CB-CG1 4.09Å; D62-I84 HydrophobicContact CB-CG2 4.32Å; D62-Y86 WeakPolarHBondContact CA-O 3.47Å; D62-K87 WeakPolarHBondContact OD2-CD 3.29Å; D62-K87 IonicContact OD2-NZ 3.69Å; D62-K87 PolarHBondContact OD2-NZ 2.8Å; D62-V88 WeakPolarHBondContact OD1-CB 3.49Å; D62-V88 VanDerWaalsContact OD1-CG1 3.24Å; D62-V88 WeakPolarHBondContact OD1-CG1 3.4Å; D62-V88 PolarHBondContact OD1-N 3.33Å
63I98Very high95.8Very high63 Ų6361 Ų6132%0.32331%0.309SS..EExtended strand (participates in β ladder)trans-97.8120.2168-57.5177.3000107.5I14 G15 V85 Y86I14-I63 HydrophobicContact CG2-CG2 3.6Å; G15-I63 WeakPolarHBondContact O-CA 3.43Å; I63-V85 HydrophobicContact CG2-CB 4.43Å; I63-V85 PolarHBondContact O-N 2.84Å; I63-Y86 HydrophobicContact CB-CD2 3.92Å; I63-Y86 HydrophobicContact CB-CG 4.46Å; I63-Y86 HydrophobicContact CD1-CD2 3.72Å; I63-Y86 HydrophobicContact CD1-CG 4.42Å; I63-Y86 HydrophobicContact CG1-CD2 4.33Å; I63-Y86 HydrophobicContact CG2-CD2 4.07Å; I63-Y86 PolarHBondContact N-O 3.4Å; I63-Y86 PolarHBondContact O-N 2.94Å
64V98.3Very high95.7Very high0 Ų063.4 Ų63.40%033%0.327CS..EExtended strand (participates in β ladder)trans-124.9144.4-171.4-64.20000111.4I14 G15 V17 V28 D62 L66 L81 I84I14-V64 WeakPolarHBondContact CA-O 3.49Å; G15-V64 PolarHBondContact N-O 3.23Å; G15-V64 WeakPolarHBondContact O-CG2 3.32Å; G15-V64 PolarHBondContact O-N 3.4Å; V17-V64 HydrophobicContact CG2-CB 4.42Å; V17-V64 HydrophobicContact CG2-CG1 3.68Å; V17-V64 HydrophobicContact CG2-CG2 3.8Å; V28-V64 HydrophobicContact CG1-CG2 3.85Å; V28-V64 HydrophobicContact CG2-CG2 3.89Å; D62-V64 HydrophobicContact CB-CG1 4.09Å; V64-L66 HydrophobicContact CG2-CD2 3.99Å; V64-L66 HydrophobicContact CG2-CG 4.42Å; V64-L81 HydrophobicContact CB-CD1 3.66Å; V64-L81 HydrophobicContact CG1-CD1 3.8Å; V64-L81 HydrophobicContact CG2-CD1 4.36Å; V64-I84 HydrophobicContact CG1-CG1 4.24Å; V64-I84 HydrophobicContact CG1-CG2 4.47Å
65L98.2Very high95.6Very high36 Ų3669.8 Ų69.819%0.18834%0.338CS..EExtended strand (participates in β ladder)trans-93.5124169.8-178.864.8000108.9W12 I14 A82 E83 V85W12-L65 HydrophobicContact CE3-CD1 4.01Å; W12-L65 HydrophobicContact CE3-CD2 4.02Å; W12-L65 HydrophobicContact CE3-CG 3.97Å; W12-L65 HydrophobicContact CZ3-CD2 3.83Å; W12-L65 HydrophobicContact CZ3-CG 4.11Å; I14-L65 HydrophobicContact CD1-CD1 4.34Å; I14-L65 HydrophobicContact CG1-CD1 3.62Å; L65-A82 HydrophobicContact CD2-CB 4.41Å; L65-A82 HydrophobicContact CG-CB 4.32Å; L65-A82 PolarHBondContact O-N 3.2Å; L65-E83 HydrophobicContact CB-CB 4.33Å; L65-E83 PolarHBondContact N-O 3.12Å; L65-E83 PolarHBondContact O-N 3.1Å; L65-V85 HydrophobicContact CB-CG2 3.86Å
66L97.6Very high95.6Very high0 Ų069.2 Ų69.20%033%0.332CS..EExtended strand (participates in β ladder)trans-108.4137.9177.3-54.6-175.8000110.6W12 I13 V28 A51 V64 H79 E80 L81W12-L66 WeakPolarHBondContact CA-O 3.42Å; I13-L66 HydrophobicContact CD1-CB 4.38Å; I13-L66 HydrophobicContact CD1-CD1 4.13Å; I13-L66 HydrophobicContact CG1-CB 3.7Å; I13-L66 HydrophobicContact CG1-CD1 4.08Å; I13-L66 HydrophobicContact CG1-CG 4.3Å; I13-L66 PolarHBondContact N-O 3.26Å; I13-L66 PolarHBondContact O-N 2.99Å; V28-L66 HydrophobicContact CB-CD1 3.93Å; V28-L66 HydrophobicContact CG1-CD1 3.98Å; V28-L66 HydrophobicContact CG2-CD1 4.03Å; V28-L66 HydrophobicContact CG2-CD2 4.33Å; A51-L66 HydrophobicContact CB-CD1 4.02Å; A51-L66 HydrophobicContact CB-CD2 3.39Å; A51-L66 HydrophobicContact CB-CG 4.31Å; V64-L66 HydrophobicContact CG2-CD2 3.99Å; V64-L66 HydrophobicContact CG2-CG 4.42Å; L66-H79 HydrophobicContact CB-CB 4.18Å; L66-H79 HydrophobicContact CD1-CB 4.41Å; L66-E80 WeakPolarHBondContact CA-O 3.14Å; L66-L81 HydrophobicContact CD2-CD1 4.24Å
67K96.7Very high95.6Very high85 Ų8565 Ų6537%0.3731%0.313SS..EExtended strand (participates in β ladder)trans-110.7142.9173.9-177.2178.9171-164.90110.1K11 W12 H79 E80 A82K11-K67 CarbonylContact O-C 3.56Å; W12-K67 HydrophobicContact CD2-CG 4.46Å; W12-K67 HydrophobicContact CE3-CB 3.97Å; W12-K67 HydrophobicContact CE3-CG 4.29Å; W12-K67 HydrophobicContact CH2-CB 4.06Å; W12-K67 HydrophobicContact CH2-CD 3.56Å; W12-K67 HydrophobicContact CH2-CG 3.85Å; W12-K67 HydrophobicContact CZ2-CD 3.83Å; W12-K67 HydrophobicContact CZ2-CG 3.97Å; W12-K67 HydrophobicContact CZ3-CB 3.71Å; W12-K67 HydrophobicContact CZ3-CD 4.09Å; W12-K67 HydrophobicContact CZ3-CG 4Å; K67-H79 CarbonylContact O-C 3.56Å; K67-H79 WeakPolarHBondContact O-CA 3.27Å; K67-H79 WeakPolarHBondContact O-CB 3.07Å; K67-E80 HydrophobicContact CB-CG 3.93Å; K67-E80 WeakPolarHBondContact CD-OE1 3.34Å; K67-E80 PolarHBondContact N-O 3.4Å; K67-E80 IonicContact NZ-OE1 3.74Å; K67-E80 PolarHBondContact O-N 3.01Å; K67-A82 HydrophobicContact CB-CB 4.09Å
68A96.8Very high95.7Very high11 Ų1164.3 Ų64.39%0.09131%0.309CS..EExtended strand (participates in β ladder)trans-71.6132.5173.700000111.1A6 K11A6-A68 HydrophobicContact CB-CB 3.66Å; K11-A68 PolarHBondContact O-N 3.45Å
69L94.1Very high95.7Very high29 Ų2964 Ų6415%0.15231%0.307CS..  trans-73.4141.5170.5-74.4164.8000109.9A6 E71 R73 K78 E80A6-L69 WeakPolarHBondContact CB-O 3.1Å; L69-E71 VanDerWaalsContact C-N 3.29Å; L69-E71 VanDerWaalsContact CB-O 3.31Å; L69-E71 WeakPolarHBondContact CB-O 3.45Å; L69-E71 PolarHBondContact O-N 2.92Å; L69-R73 HydrophobicContact CD1-CB 4.27Å; L69-K78 PolarHBondContact N-O 2.94Å; L69-E80 HydrophobicContact CD2-CB 3.92Å; L69-E80 HydrophobicContact CD2-CG 4.1Å; L69-E80 WeakPolarHBondContact CD2-OE2 3.39Å; L69-E80 HydrophobicContact CG-CB 4.06Å; L69-E80 HydrophobicContact CG-CG 4.34Å
70A91.6Very high95.7Very high43 Ų4364.1 Ų64.136%0.35530%0.303SS..SBendtrans-60.7-42.5172.500000111.2K4K4-A70 HydrophobicContact CB-CB 3.93Å
71E90.6Very high95.7Very high129 Ų12961.7 Ų61.760%0.60329%0.287SS*.SBendtrans-119.2132.8177.5-67.7172.3-155.500109.7K4 L69 R73K4-E71 IonicContact NZ-OE1 2.81Å; K4-E71 PolarHBondContact NZ-OE1 2.93Å; L69-E71 VanDerWaalsContact C-N 3.29Å; L69-E71 VanDerWaalsContact CB-O 3.31Å; L69-E71 WeakPolarHBondContact CB-O 3.45Å; L69-E71 PolarHBondContact O-N 2.92Å; E71-R73 PolarHBondContact O-N 3.06Å
72R91.8Very high95.7Very high179 Ų17963.5 Ų63.568%0.67530%0.301SS*.  trans-65.2126.3179.665.1-175-18085-0109.8
73R92.8Very high95.6Very high147 Ų14769.1 Ų69.156%0.55533%0.327SS*.SBendtrans-70.6-36.9175.2-177.4-176.1-75.1-128.6-0.4111.9H52 L69 E71 V77H52-R73 PolarHBondContact CD2-NH2 2.72Å; H52-R73 PolarHBondContact CE1-NH1 2.92Å; H52-R73 PolarHBondContact CE1-NH2 3Å; H52-R73 VanDerWaalsContact ND1-CZ 3.29Å; H52-R73 PolarHBondContact ND1-NH1 2.86Å; H52-R73 VanDerWaalsContact ND1-NH1 3.15Å; H52-R73 PolarHBondContact NE2-NH1 3.02Å; H52-R73 VanDerWaalsContact NE2-NH1 3.14Å; H52-R73 PolarHBondContact NE2-NH2 2.84Å; L69-R73 HydrophobicContact CD1-CB 4.27Å; E71-R73 PolarHBondContact O-N 3.06Å; R73-V77 HydrophobicContact CB-CB 4.43Å; R73-V77 HydrophobicContact CB-CG1 4.26Å; R73-V77 PolarHBondContact N-O 2.84Å
74S93.9Very high95.6Very high59 Ų5968.1 Ų68.141%0.41332%0.322SS..SBendtrans-146.2-176.4178.9-177.20000110.1H76 V77S74-H76 VanDerWaalsContact C-N 3.32Å; S74-H76 PolarHBondContact O-N 2.83Å; S74-V77 PolarHBondContact N-O 2.75Å
75R93.7Very high95.5Very high193 Ų19370.4 Ų70.473%0.72834%0.336SS*.SBendtrans-59.6-42.2176.7-175.6176.7177.4179.8-0.3111.9
76H95Very high95.5Very high115 Ų11573 Ų7353%0.53234%0.343SS..SBendtrans-103.7-23.4-175.2-57.1111000113.7F50 S74 K78F50-H76 HydrophobicContact CD2-CB 3.68Å; F50-H76 HydrophobicContact CE2-CB 4.06Å; F50-H76 HydrophobicContact CG-CB 4.44Å; S74-H76 VanDerWaalsContact C-N 3.32Å; S74-H76 PolarHBondContact O-N 2.83Å; H76-K78 PolarHBondContact O-N 2.85Å
77V97Very high95.4Very high10 Ų1075.8 Ų75.86%0.06136%0.356CS..EExtended strand (participates in β ladder)trans-87.599.4-179.3-172.70000109.3T25 F50 H52 R73 S74T25-V77 HydrophobicContact CG2-CG2 4.07Å; F50-V77 HydrophobicContact CB-CG2 4.03Å; H52-V77 HydrophobicContact CB-CG1 3.99Å; R73-V77 HydrophobicContact CB-CB 4.43Å; R73-V77 HydrophobicContact CB-CG1 4.26Å; R73-V77 PolarHBondContact N-O 2.84Å; S74-V77 PolarHBondContact N-O 2.75Å
78K96.6Very high95.4Very high91 Ų9175.5 Ų75.540%0.39636%0.361SS..EExtended strand (participates in β ladder)trans-114.5-10.9-178.1-61.5-177.5-177.6-174.90113.1V8 L69 H76V8-K78 HydrophobicContact CG2-CB 4.33Å; V8-K78 HydrophobicContact CG2-CD 4.23Å; L69-K78 PolarHBondContact N-O 2.94Å; H76-K78 PolarHBondContact O-N 2.85Å
79H97.4Very high95.3Very high1 Ų178 Ų781%0.00539%0.387CS..EExtended strand (participates in β ladder)trans-121.8156.1-176.2-56.5-74.5000110.3A10 Y49 A51 H52 L66 K67A10-H79 PolarHBondContact O-CE1 2.82Å; Y49-H79 AromaticContact CD1-CD2 3.47Å; Y49-H79 VanDerWaalsContact CD1-CD2 3.47Å; Y49-H79 WeakPolarHBondContact CD1-CD2 3.23Å; Y49-H79 AromaticContact CD1-NE2 3.19Å; Y49-H79 WeakPolarHBondContact CD1-NE2 3.17Å; Y49-H79 AromaticContact CE1-NE2 3.47Å; Y49-H79 WeakPolarHBondContact CE1-NE2 3.38Å; A51-H79 CarbonylContact C-O 3.48Å; A51-H79 WeakPolarHBondContact CA-O 3.49Å; H52-H79 PolarHBondContact N-O 2.8Å; L66-H79 HydrophobicContact CB-CB 4.18Å; L66-H79 HydrophobicContact CD1-CB 4.41Å; K67-H79 CarbonylContact O-C 3.56Å; K67-H79 WeakPolarHBondContact O-CA 3.27Å; K67-H79 WeakPolarHBondContact O-CB 3.07Å
80E96.8Very high95.3Very high59 Ų5980.7 Ų80.728%0.27640%0.402SS..EExtended strand (participates in β ladder)trans-113.1150.3167.362.6-173.2178.700109.4L66 K67 L69 A82L66-E80 WeakPolarHBondContact CA-O 3.14Å; K67-E80 HydrophobicContact CB-CG 3.93Å; K67-E80 WeakPolarHBondContact CD-OE1 3.34Å; K67-E80 PolarHBondContact N-O 3.4Å; K67-E80 IonicContact NZ-OE1 3.74Å; K67-E80 PolarHBondContact O-N 3.01Å; L69-E80 HydrophobicContact CD2-CB 3.92Å; L69-E80 HydrophobicContact CD2-CG 4.1Å; L69-E80 WeakPolarHBondContact CD2-OE2 3.39Å; L69-E80 HydrophobicContact CG-CB 4.06Å; L69-E80 HydrophobicContact CG-CG 4.34Å; E80-A82 PolarHBondContact O-N 2.88Å
81L97.4Very high95.5Very high32 Ų3281 Ų8117%0.16840%0.4CS..EExtended strand (participates in β ladder)trans-68.6120.5167.1-178.870.6000108.2H52 D53 C58 V64 L66 I84H52-L81 PolarHBondContact O-N 3.03Å; D53-L81 HydrophobicContact CB-CB 4.47Å; D53-L81 HydrophobicContact CB-CD2 4.23Å; C58-L81 WeakPolarHBondContact SG-CD2 3.43Å; V64-L81 HydrophobicContact CB-CD1 3.66Å; V64-L81 HydrophobicContact CG1-CD1 3.8Å; V64-L81 HydrophobicContact CG2-CD1 4.36Å; L66-L81 HydrophobicContact CD2-CD1 4.24Å; L81-I84 HydrophobicContact CD2-CG1 4.37Å
82A97.1Very high95.7Very high51 Ų5178.3 Ų78.342%0.42139%0.392SS..EExtended strand (participates in β ladder)trans-91.9-51174.200000110.5W12 L65 K67 E80W12-A82 HydrophobicContact CZ3-CB 3.88Å; L65-A82 HydrophobicContact CD2-CB 4.41Å; L65-A82 HydrophobicContact CG-CB 4.32Å; L65-A82 PolarHBondContact O-N 3.2Å; K67-A82 HydrophobicContact CB-CB 4.09Å; E80-A82 PolarHBondContact O-N 2.88Å
83E96.4Very high95.8Very high118 Ų11871.3 Ų71.355%0.55137%0.368SS*.EExtended strand (participates in β ladder)trans-153.4147.8-174.5-171.2178.7172.900110.7L65L65-E83 HydrophobicContact CB-CB 4.33Å; L65-E83 PolarHBondContact N-O 3.12Å; L65-E83 PolarHBondContact O-N 3.1Å
84I97.4Very high95.9Very high42 Ų4269 Ų6922%0.21537%0.372CS..EExtended strand (participates in β ladder)trans-92102.2167-57.4176000106.9Q57 D62 V64 L81 K87Q57-I84 HydrophobicContact CB-CD1 4.01Å; D62-I84 HydrophobicContact CB-CG2 4.32Å; V64-I84 HydrophobicContact CG1-CG1 4.24Å; V64-I84 HydrophobicContact CG1-CG2 4.47Å; L81-I84 HydrophobicContact CD2-CG1 4.37Å; I84-K87 HydrophobicContact CG2-CB 4.38Å; I84-K87 HydrophobicContact CG2-CD 4.08Å
85V96.9Very high95.8Very high49 Ų4973.8 Ų73.830%0.29739%0.392SS..EExtended strand (participates in β ladder)trans-69.7-47-176.5-174.60000110.6I63 L65I63-V85 HydrophobicContact CG2-CB 4.43Å; I63-V85 PolarHBondContact O-N 2.84Å; L65-V85 HydrophobicContact CB-CG2 3.86Å
86Y97.1Very high95.7Very high89 Ų8967.7 Ų67.735%0.34938%0.376SS..EExtended strand (participates in β ladder)trans-134.5116.3176.8-56.4-65.8000110.1D62 I63 V91D62-Y86 WeakPolarHBondContact CA-O 3.47Å; I63-Y86 HydrophobicContact CB-CD2 3.92Å; I63-Y86 HydrophobicContact CB-CG 4.46Å; I63-Y86 HydrophobicContact CD1-CD2 3.72Å; I63-Y86 HydrophobicContact CD1-CG 4.42Å; I63-Y86 HydrophobicContact CG1-CD2 4.33Å; I63-Y86 HydrophobicContact CG2-CD2 4.07Å; I63-Y86 PolarHBondContact N-O 3.4Å; I63-Y86 PolarHBondContact O-N 2.94Å; Y86-V91 HydrophobicContact CD1-CG1 3.83Å; Y86-V91 HydrophobicContact CE1-CG1 4.4Å
87K96.9Very high95.5Very high60 Ų6064.8 Ų64.826%0.26138%0.377SS..BIsolated β-bridgetrans-79.9131.9175-167.672.1-175.4166.20109.7Q57 T59 D62 I84 G89 N90 V91Q57-K87 PolarHBondContact O-NZ 2.91Å; T59-K87 WeakPolarHBondContact OG1-CE 3.38Å; T59-K87 PolarHBondContact OG1-NZ 3.21Å; D62-K87 WeakPolarHBondContact OD2-CD 3.29Å; D62-K87 IonicContact OD2-NZ 3.69Å; D62-K87 PolarHBondContact OD2-NZ 2.8Å; I84-K87 HydrophobicContact CG2-CB 4.38Å; I84-K87 HydrophobicContact CG2-CD 4.08Å; K87-G89 PolarHBondContact O-N 2.93Å; K87-N90 HydrophobicContact CB-CB 4.36Å; K87-N90 HydrophobicContact CG-CB 4.32Å; K87-N90 CarbonylContact O-C 3.58Å; K87-N90 PolarHBondContact O-N 2.84Å; K87-V91 WeakPolarHBondContact O-CG2 3.36Å
88V96.1Very high95.3Very high78 Ų7866.3 Ų66.347%0.47338%0.383SS..THydrogen-bonded Turntrans-60.3130175.771.50000110.3T59 D62 N90T59-V88 WeakPolarHBondContact OG1-CG1 3.49Å; D62-V88 WeakPolarHBondContact OD1-CB 3.49Å; D62-V88 VanDerWaalsContact OD1-CG1 3.24Å; D62-V88 WeakPolarHBondContact OD1-CG1 3.4Å; D62-V88 PolarHBondContact OD1-N 3.33Å; V88-N90 PolarHBondContact O-N 2.91Å; V88-N90 VanDerWaalsContact O-N 3.1Å
89G93.6Very high95.2Very high63 Ų6367.1 Ų67.165%0.64938%0.383SS*.THydrogen-bonded Turntrans77.6-21.5-179.200000115.8K87K87-G89 PolarHBondContact O-N 2.93Å
90N94.1Very high95Very high86 Ų8668.1 Ų68.146%0.4639%0.39SS..BIsolated β-bridgetrans-126.459.8-178.4-69.1-21.7000110.6K87 V88 R99K87-N90 HydrophobicContact CB-CB 4.36Å; K87-N90 HydrophobicContact CG-CB 4.32Å; K87-N90 CarbonylContact O-C 3.58Å; K87-N90 PolarHBondContact O-N 2.84Å; V88-N90 PolarHBondContact O-N 2.91Å; V88-N90 VanDerWaalsContact O-N 3.1Å; N90-R99 PolarHBondContact OD1-NH2 2.84Å
91V96.1Very high94.9Very high51 Ų5168.1 Ų68.131%0.30940%0.4SS..EExtended strand (participates in β ladder)trans-79.1130.6178.1179.70000109.3Y86 K87 R99 V100Y86-V91 HydrophobicContact CD1-CG1 3.83Å; Y86-V91 HydrophobicContact CE1-CG1 4.4Å; K87-V91 WeakPolarHBondContact O-CG2 3.36Å; V91-R99 WeakPolarHBondContact O-CA 3.32Å; V91-V100 PolarHBondContact O-N 2.89Å
92V95.3Very high94.5Very high71 Ų7170.4 Ų70.443%0.4343%0.431SS..EExtended strand (participates in β ladder)trans-109.7131.5173.8178.20000107.6G97 R99V92-G97 VanDerWaalsContact CG1-C 3.49Å; V92-G97 VanDerWaalsContact CG1-O 3.3Å; V92-G97 WeakPolarHBondContact CG1-O 3.42Å; V92-R99 HydrophobicContact CG2-CG 4.25Å
93D94.4Very high94.3Very high32 Ų3273.2 Ų73.217%0.17145%0.448CS..  trans-69.3125.3175.216930.5000110L95 T96 G97 K98 V100 F105D93-L95 PolarHBondContact O-N 3.15Å; D93-L95 PolarHBondContact OD1-N 3.14Å; D93-L95 VanDerWaalsContact OD1-N 3.08Å; D93-T96 WeakPolarHBondContact CB-OG1 3.39Å; D93-T96 WeakPolarHBondContact OD2-CB 3.39Å; D93-T96 WeakPolarHBondContact OD2-CG2 3.39Å; D93-T96 PolarHBondContact OD2-N 2.85Å; D93-T96 PolarHBondContact OD2-OG1 2.91Å; D93-G97 VanDerWaalsContact O-CA 3.3Å; D93-G97 WeakPolarHBondContact O-CA 3.34Å; D93-G97 PolarHBondContact O-N 2.83Å; D93-K98 PolarHBondContact N-O 2.82Å; D93-V100 HydrophobicContact CB-CG2 3.83Å; D93-F105 HydrophobicContact CB-CE1 4.14Å
94P94Very high94Very high98 Ų9874.5 Ų74.564%0.63645%0.454SS*.THydrogen-bonded Turntrans-65.4-18.5179.326.7-36.8000114.1
95L93.1Very high93.8Very high160 Ų16076.1 Ų76.184%0.83846%0.459SS*.THydrogen-bonded Turntrans-86.3-46.3-179.9-60.8-179.2000112.5D93D93-L95 PolarHBondContact O-N 3.15Å; D93-L95 PolarHBondContact OD1-N 3.14Å; D93-L95 VanDerWaalsContact OD1-N 3.08Å
96T91.4Very high93.4Very high66 Ų6678.7 Ų78.741%0.40547%0.471SS..THydrogen-bonded Turntrans-99.2-19.3-176.158.30000114.2D93 K98 F105 L109D93-T96 WeakPolarHBondContact CB-OG1 3.39Å; D93-T96 WeakPolarHBondContact OD2-CB 3.39Å; D93-T96 WeakPolarHBondContact OD2-CG2 3.39Å; D93-T96 PolarHBondContact OD2-N 2.85Å; D93-T96 PolarHBondContact OD2-OG1 2.91Å; T96-K98 PolarHBondContact O-N 3.41Å; T96-K98 PolarHBondContact OG1-N 2.94Å; T96-F105 HydrophobicContact CG2-CE1 4.39Å; T96-F105 HydrophobicContact CG2-CZ 4.36Å; T96-F105 WeakPolarHBondContact OG1-CE1 3.47Å; T96-L109 HydrophobicContact CG2-CD2 4.49Å
97G91.1Very high92.7Very high53 Ų5379.5 Ų79.555%0.54648%0.478SS..  trans70.93-173.200000114.4V92 D93V92-G97 VanDerWaalsContact CG1-C 3.49Å; V92-G97 VanDerWaalsContact CG1-O 3.3Å; V92-G97 WeakPolarHBondContact CG1-O 3.42Å; D93-G97 VanDerWaalsContact O-CA 3.3Å; D93-G97 WeakPolarHBondContact O-CA 3.34Å; D93-G97 PolarHBondContact O-N 2.83Å
98K91.6Very high91.6Very high43 Ų4381.7 Ų81.719%0.18750%0.5CS..  trans-87.1154.1178.1-68.1179.9176.1-175.50110.7D93 T96 F105 C108 L109 D111D93-K98 PolarHBondContact N-O 2.82Å; T96-K98 PolarHBondContact O-N 3.41Å; T96-K98 PolarHBondContact OG1-N 2.94Å; K98-F105 HydrophobicContact CB-CD1 4.03Å; K98-F105 HydrophobicContact CB-CE1 4.43Å; K98-C108 PolarHBondContact NZ-O 2.91Å; K98-L109 HydrophobicContact CD-CD2 3.71Å; K98-D111 IonicContact NZ-OD1 2.82Å
99R93.8Very high90.1Very high107 Ų10782.1 Ų82.140%0.40450%0.499SS..EExtended strand (participates in β ladder)trans-75.9140.8178.8-66.5176.569-166.90.7110.7N90 V91 V92 L106N90-R99 PolarHBondContact OD1-NH2 2.84Å; V91-R99 WeakPolarHBondContact O-CA 3.32Å; V92-R99 HydrophobicContact CG2-CG 4.25Å; R99-L106 HydrophobicContact CB-CB 4.22Å; R99-L106 HydrophobicContact CB-CD1 3.76Å; R99-L106 PolarHBondContact O-N 2.82Å
100V94.8Very high88.7Confident22 Ų2284.1 Ų84.113%0.13350%0.499CS..EExtended strand (participates in β ladder)trans-127.4138.3-176.3-178.60000110.9V91 D93 G102 E104 F105V91-V100 PolarHBondContact O-N 2.89Å; D93-V100 HydrophobicContact CB-CG2 3.83Å; V100-G102 VanDerWaalsContact CG1-O 3.24Å; V100-G102 WeakPolarHBondContact CG1-O 3.49Å; V100-E104 CarbonylContact C-O 3.51Å; V100-E104 WeakPolarHBondContact CA-O 3.41Å; V100-E104 VanDerWaalsContact CG1-O 3.3Å; V100-E104 WeakPolarHBondContact CG1-O 3.24Å; V100-F105 HydrophobicContact CG2-CD1 3.53Å; V100-F105 HydrophobicContact CG2-CE1 3.57Å; V100-F105 HydrophobicContact CG2-CG 4.37Å; V100-F105 HydrophobicContact CG2-CZ 4.44Å
101A93.8Very high86.6Confident59 Ų5986 Ų8649%0.48851%0.509SS..EExtended strand (participates in β ladder)trans-10994.6167.200000109.2S103 E104 L106A101-S103 PolarHBondContact O-N 3.47Å; A101-S103 VanDerWaalsContact O-N 3.12Å; A101-E104 PolarHBondContact N-O 2.85Å; A101-E104 PolarHBondContact O-N 3.05Å; A101-E104 VanDerWaalsContact O-N 3.16Å; A101-L106 HydrophobicContact CB-CD1 4.35Å; A101-L106 HydrophobicContact CB-CG 4.21Å
102G90.1Very high84.4Confident80 Ų8089 Ų8983%0.82553%0.529SS*.THydrogen-bonded Turntrans70.4-107.9-178.300000111.9V100V100-G102 VanDerWaalsContact CG1-O 3.24Å; V100-G102 WeakPolarHBondContact CG1-O 3.49Å
103S91.1Very high81.9Confident111 Ų11190.4 Ų90.478%0.77654%0.54SS*.THydrogen-bonded Turntrans-99.5-8176.350.10000113.7A101A101-S103 PolarHBondContact O-N 3.47Å; A101-S103 VanDerWaalsContact O-N 3.12Å
104E91.9Very high79.2Confident145 Ų14596.5 Ų96.568%0.67857%0.567SS**EExtended strand (participates in β ladder)trans-108.4137.3-172-65.4176.1-176.700110.9V100 A101V100-E104 CarbonylContact C-O 3.51Å; V100-E104 WeakPolarHBondContact CA-O 3.41Å; V100-E104 VanDerWaalsContact CG1-O 3.3Å; V100-E104 WeakPolarHBondContact CG1-O 3.24Å; A101-E104 PolarHBondContact N-O 2.85Å; A101-E104 PolarHBondContact O-N 3.05Å; A101-E104 VanDerWaalsContact O-N 3.16Å
105F92.8Very high76.7Confident76 Ų7696.5 Ų96.533%0.33357%0.569SS.*EExtended strand (participates in β ladder)trans-73.5135.6171.7-67.8-82.3000110D93 T96 K98 V100 E107 L109D93-F105 HydrophobicContact CB-CE1 4.14Å; T96-F105 HydrophobicContact CG2-CE1 4.39Å; T96-F105 HydrophobicContact CG2-CZ 4.36Å; T96-F105 WeakPolarHBondContact OG1-CE1 3.47Å; K98-F105 HydrophobicContact CB-CD1 4.03Å; K98-F105 HydrophobicContact CB-CE1 4.43Å; V100-F105 HydrophobicContact CG2-CD1 3.53Å; V100-F105 HydrophobicContact CG2-CE1 3.57Å; V100-F105 HydrophobicContact CG2-CG 4.37Å; V100-F105 HydrophobicContact CG2-CZ 4.44Å; F105-E107 VanDerWaalsContact C-N 3.29Å; F105-E107 VanDerWaalsContact CB-O 3.26Å; F105-E107 WeakPolarHBondContact CB-O 3.49Å; F105-L109 HydrophobicContact CD1-CD2 3.94Å; F105-L109 HydrophobicContact CD2-CD1 3.71Å; F105-L109 HydrophobicContact CD2-CD2 3.88Å; F105-L109 HydrophobicContact CD2-CG 3.74Å; F105-L109 HydrophobicContact CE1-CD2 4.07Å; F105-L109 HydrophobicContact CE2-CD1 3.59Å; F105-L109 HydrophobicContact CE2-CD2 4.01Å; F105-L109 HydrophobicContact CE2-CG 4.04Å; F105-L109 HydrophobicContact CG-CD1 4.5Å; F105-L109 HydrophobicContact CG-CD2 3.85Å; F105-L109 HydrophobicContact CG-CG 4.07Å; F105-L109 HydrophobicContact CZ-CD1 4.29Å; F105-L109 HydrophobicContact CZ-CD2 4.1Å
106L88Confident74.6Confident102 Ų10296.3 Ų96.353%0.53457%0.568SS.*SBendtrans-71.6-29174-83.9149.3000111.8R99 A101R99-L106 HydrophobicContact CB-CB 4.22Å; R99-L106 HydrophobicContact CB-CD1 3.76Å; R99-L106 PolarHBondContact O-N 2.82Å; A101-L106 HydrophobicContact CB-CD1 4.35Å; A101-L106 HydrophobicContact CB-CG 4.21Å
107E82.6Confident72.4Confident106 Ų106101.4 Ų101.450%0.49559%0.587SS.*SBendtrans-110.3132.6175.6-67.9169.5-163.400108.4F105 L109F105-E107 VanDerWaalsContact C-N 3.29Å; F105-E107 VanDerWaalsContact CB-O 3.26Å; F105-E107 WeakPolarHBondContact CB-O 3.49Å; E107-L109 PolarHBondContact O-N 3.32Å
108C73.4Confident70.1Confident107 Ų107108.3 Ų108.372%0.72361%0.605SS**  trans-58134.9177.1-94.40000110.8K98 T110K98-C108 PolarHBondContact NZ-O 2.91Å; C108-T110 PolarHBondContact O-N 3.38Å
109L65.6Low67.6Low87 Ų87114.7 Ų114.746%0.45564%0.636SS.*SBendtrans-68.4-12.3177.5-68.4-177000113.3T96 K98 F105 E107 D111T96-L109 HydrophobicContact CG2-CD2 4.49Å; K98-L109 HydrophobicContact CD-CD2 3.71Å; F105-L109 HydrophobicContact CD1-CD2 3.94Å; F105-L109 HydrophobicContact CD2-CD1 3.71Å; F105-L109 HydrophobicContact CD2-CD2 3.88Å; F105-L109 HydrophobicContact CD2-CG 3.74Å; F105-L109 HydrophobicContact CE1-CD2 4.07Å; F105-L109 HydrophobicContact CE2-CD1 3.59Å; F105-L109 HydrophobicContact CE2-CD2 4.01Å; F105-L109 HydrophobicContact CE2-CG 4.04Å; F105-L109 HydrophobicContact CG-CD1 4.5Å; F105-L109 HydrophobicContact CG-CD2 3.85Å; F105-L109 HydrophobicContact CG-CG 4.07Å; F105-L109 HydrophobicContact CZ-CD1 4.29Å; F105-L109 HydrophobicContact CZ-CD2 4.1Å; E107-L109 PolarHBondContact O-N 3.32Å; L109-D111 PolarHBondContact O-N 3.44Å
110T63.7Low65.1Low105 Ų105114.5 Ų114.564%0.64465%0.65SS**  trans-69.497.3178.8-34.30000109.4C108C108-T110 PolarHBondContact O-N 3.38Å
111D50.9Low62.8Low126 Ų126117 Ų11767%0.67467%0.667SS**PPolyproline II helixtrans-59.6135.2154.1-58.2-31.6000106.8K98 L109 P113K98-D111 IonicContact NZ-OD1 2.82Å; L109-D111 PolarHBondContact O-N 3.44Å; D111-P113 WeakPolarHBondContact O-CD 3.47Å
112P48.5Very low61.1Low114 Ų114118 Ų11874%0.7467%0.667SS**PPolyproline II helixtrans-65.8127.9-16526.3-33.4000110.9
113P43.7Very low59.5Low100 Ų100120.4 Ų120.465%0.64966%0.66SS**SBendtrans-83.1117153.332.5-23.2000106.6D111D111-P113 WeakPolarHBondContact O-CD 3.47Å
114H36.4Very low58.3Low160 Ų160119.4 Ų119.474%0.74165%0.649SS**  trans95.6103.3174.1-59.8-83.4000117
115S42.5Very low57.2Low98 Ų98117.9 Ų117.969%0.68564%0.642SS**  5.6126.4117.69.40000116.3
116L48.1Very low56.1Low155 Ų155120.2 Ų120.281%0.81265%0.652SS**SBendtrans79.8118.4157.7-50.8172.9000116.7
117E45.9Very low55.2Low174 Ų174121 Ų12181%0.81366%0.656SS**  trans66.191.1149.3-59.9175.6-162.400117.8
118Q43.4Very low54.5Low198 Ų198123.2 Ų123.293%0.92567%0.666SS**  trans-162.581.6133.9-106158.926.500109.2C120Q118-C120 PolarHBondContact O-N 3.47Å
119E39.5Very low54.1Low176 Ų176125.4 Ų125.482%0.82267%0.666SS**  trans-49.4132.8152.9-62.6-179.7159.400107.9P121E119-P121 WeakPolarHBondContact O-CD 3.19Å; E119-P121 VanDerWaalsContact O-N 3.09Å
120C40.2Very low54.2Low103 Ų103127.4 Ų127.470%0.69668%0.677SS**  trans-59.8114.1171.2-67.90000108.2Q118 T122Q118-C120 PolarHBondContact O-N 3.47Å; C120-T122 PolarHBondContact O-N 2.99Å
121P47.7Very low54.3Low76 Ų76129.6 Ų129.649%0.49469%0.685SS.*THydrogen-bonded Turntrans-70.21-175.227.7-33.2000113.7E119 L123 E125E119-P121 WeakPolarHBondContact O-CD 3.19Å; E119-P121 VanDerWaalsContact O-N 3.09Å; P121-L123 PolarHBondContact O-N 3.1Å; P121-E125 WeakPolarHBondContact O-CG 3.31Å
122T56.4Low54.5Low80 Ų80130.6 Ų130.649%0.49169%0.688SS.*THydrogen-bonded Turntrans-78.8-14.5-164-3.10000116.6C120 K126C120-T122 PolarHBondContact O-N 2.99Å; T122-K126 WeakPolarHBondContact O-CD 3.35Å; T122-K126 WeakPolarHBondContact O-CG 3.16Å
123L57.8Low54.5Low129 Ų129129.8 Ų129.868%0.67569%0.686SS**THydrogen-bonded Turntrans-103.2-37.1-178-69179.4000112.7P121 K126 L127P121-L123 PolarHBondContact O-N 3.1Å; L123-K126 PolarHBondContact O-N 3.37Å; L123-L127 WeakPolarHBondContact O-CG 3.21Å; L123-L127 PolarHBondContact O-N 3.28Å; L123-L127 VanDerWaalsContact O-N 3.15Å
124T65.3Low54.8Low90 Ų90130 Ų13055%0.55270%0.696SS**Hα-helixtrans-67-40.9179-4.60000111.2L127 Q128T124-L127 PolarHBondContact O-N 3.32Å; T124-Q128 PolarHBondContact O-N 3.01Å
125E68Low55Low113 Ų113126.7 Ų126.753%0.52870%0.696SS.*Hα-helixtrans-63.7-41.1176-68.3176173.900111.9P121 L127 Q128 E129P121-E125 WeakPolarHBondContact O-CG 3.31Å; E125-L127 VanDerWaalsContact C-N 3.32Å; E125-L127 PolarHBondContact O-N 3.18Å; E125-Q128 PolarHBondContact O-N 2.89Å; E125-E129 PolarHBondContact O-N 2.82Å
126K69.6Low55Low125 Ų125128.9 Ų128.954%0.54371%0.705SS.*Hα-helixtrans-68.6-27.5177.2-70.5-175.4-178.4-176.20113.7T122 L123 L130T122-K126 WeakPolarHBondContact O-CD 3.35Å; T122-K126 WeakPolarHBondContact O-CG 3.16Å; L123-K126 PolarHBondContact O-N 3.37Å; K126-L130 WeakPolarHBondContact O-CG 3.22Å
127L69.8Low54.5Low118 Ų118127 Ų12762%0.61871%0.705SS**Hα-helixtrans-78.6-29.6176.3-72.3171000111.9L123 T124 E125 L130L123-L127 WeakPolarHBondContact O-CG 3.21Å; L123-L127 PolarHBondContact O-N 3.28Å; L123-L127 VanDerWaalsContact O-N 3.15Å; T124-L127 PolarHBondContact O-N 3.32Å; E125-L127 VanDerWaalsContact C-N 3.32Å; E125-L127 PolarHBondContact O-N 3.18Å; L127-L130 PolarHBondContact O-N 3.12Å
128Q67.1Low54.2Low153 Ų153124.3 Ų124.372%0.71571%0.706SS**Hα-helixtrans-68.5-35.2173.7-93.4176.4-35.800112.8T124 E125 L130 N131T124-Q128 PolarHBondContact O-N 3.01Å; E125-Q128 PolarHBondContact O-N 2.89Å; Q128-L130 PolarHBondContact O-N 3.3Å; Q128-N131 PolarHBondContact O-N 3.49Å
129E66.1Low53.8Low153 Ų153118.6 Ų118.672%0.71570%0.7SS**THydrogen-bonded Turntrans-65.5-18.2176.3-70.3179.4169.100113.7E125E125-E129 PolarHBondContact O-N 2.82Å
130L67.5Low53.5Low130 Ų130115.3 Ų115.368%0.68170%0.703SS**THydrogen-bonded Turntrans-92.4-7.6-176.2-65.4171.9000114.2K126 L127 Q128 I132K126-L130 WeakPolarHBondContact O-CG 3.22Å; L127-L130 PolarHBondContact O-N 3.12Å; Q128-L130 PolarHBondContact O-N 3.3Å; L130-I132 VanDerWaalsContact C-N 3.29Å; L130-I132 PolarHBondContact O-N 3.31Å
131N65.4Low53.3Low151 Ų151116.6 Ų116.681%0.80771%0.708SS**  trans-83.572.2176.7-99.86000111.6Q128 S133Q128-N131 PolarHBondContact O-N 3.49Å; N131-S133 PolarHBondContact O-N 2.81Å; N131-S133 VanDerWaalsContact O-N 3.17Å
132I55.4Low52.8Low146 Ų146120.4 Ų120.475%0.74972%0.723SS**  trans-79.496.6166.1-59.8171.6000108.1L130L130-I132 VanDerWaalsContact C-N 3.29Å; L130-I132 PolarHBondContact O-N 3.31Å
133S48.9Very low51.8Low98 Ų98122.3 Ų122.369%0.68574%0.735SS**  trans18.8108.9146.829.40000117.7N131 A135N131-S133 PolarHBondContact O-N 2.81Å; N131-S133 VanDerWaalsContact O-N 3.17Å; S133-A135 PolarHBondContact O-N 3.01Å
134A49.5Very low50.9Low104 Ų104121 Ų12186%0.8674%0.736SS**  trans-56.9103.5150.900000109
135A40.6Very low49.7Very low91 Ų91122.3 Ų122.375%0.75275%0.749SS**  trans-91.5110.3168.700000109.1S133 S137S133-A135 PolarHBondContact O-N 3.01Å; A135-S137 PolarHBondContact O-N 3.28Å
136T43.3Very low48.5Very low143 Ų143122 Ų12288%0.87776%0.759SS**  trans-59.1123.6165.6-34.90000109.6
137S37.7Very low47.1Very low116 Ų116122.6 Ų122.681%0.81177%0.774SS**  trans-127.1106.6158.565.40000109.8A135A135-S137 PolarHBondContact O-N 3.28Å
138S39.4Very low45.8Very low118 Ų118122.3 Ų122.383%0.82578%0.777SS**  trans-59.4135.8170.747.60000113.1
139G35.6Very low44.2Very low78 Ų78120.7 Ų120.780%0.80478%0.778SS**  trans95.699.9137.500000118.5
140A32.4Very low44.2Very low107 Ų107122.8 Ų122.888%0.88480%0.804SS**  trans-157.8122.8135.700000110
141T36.4Very low43Very low130 Ų130122.4 Ų122.480%0.79881%0.81SS**  trans-87.1167.4179.6-45.90000111.2
142L36.5Very low41.8Very low155 Ų155120.9 Ų120.981%0.81281%0.81SS**  trans96.5132.2161.4-53.7172.7000114.2
143V35.3Very low41.1Very low121 Ų121119.5 Ų119.573%0.73381%0.814SS**  cis-161.5158.810.5133.90000109.1
144S40.2Very low40.6Very low102 Ų102120.8 Ų120.871%0.71382%0.821SS**  trans-53.5147.8176540000117.8
145S39.1Very low40.1Very low117 Ų117121.8 Ų121.882%0.81882%0.819SS**  -175.1130.4119.554.60000112.8
146S43.5Very low40Very low105 Ų105123.9 Ų123.973%0.73482%0.824SS**  trans-48.4154.5162.648.90000114.3
147T40Very low39.8Very low139 Ų139122.5 Ų122.585%0.85382%0.82SS**  -170.4141.9123.2-63.70000111.2
148T41.3Very low40Very low111 Ų111123 Ų12368%0.68182%0.82SS**  trans-101.2130.9-173.1-61.80000110.4
149T34.5Very low40Very low120 Ų120123.4 Ų123.474%0.73682%0.82SS**  trans56.7-178.8152.169.80000117.8
150P65.3Low40.4Very low196 Ų196127.5 Ų127.5100%1.27382%0.821SS**  cis-88.202722.8-10.9000115.4

Retrieved 150 of 150 residues in 267 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).