A0A087Y5T3_POEFO Loading...

ADP-sugar pyrophosphatase

AlphaFold DB , UniProt , Accession A0A087Y5T3, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 218 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
1M41.2Very low57.5Low250 Ų250140.8 Ų140.8100%1.23278%0.777SS**  092.30-64.3-176.9-165.100106.9
2S45.7Very low60.6Low118 Ų118139 Ų13983%0.82577%0.773SS**PPolyproline II helixtrans-86.7125.1174.843.20000107.9
3N45.7Very low63.3Low155 Ų155133.9 Ų133.983%0.82975%0.75SS**PPolyproline II helixtrans-51137.9177.7-104.9-1.8000110.9E5N3-E5 PolarHBondContact O-N 3.25Å
4P54.7Low65.7Low112 Ų112131.7 Ų131.773%0.72773%0.73SS**PPolyproline II helixtrans-68.7120.2162.930.1-27.6000106.7D6P4-D6 PolarHBondContact O-N 3.46Å; P4-D6 VanDerWaalsContact O-N 3.13Å
5E56.9Low67.9Low184 Ų184129.5 Ų129.586%0.8672%0.715SS**PPolyproline II helixtrans-60.4116.3167.9-70.7-172.3154.600107.4N3N3-E5 PolarHBondContact O-N 3.25Å
6D57.8Low69.7Low145 Ų145126.8 Ų126.878%0.77570%0.698SS**PPolyproline II helixtrans-51.7138.6168.6-92.5-37.5000108.5P4 K8P4-D6 PolarHBondContact O-N 3.46Å; P4-D6 VanDerWaalsContact O-N 3.13Å; D6-K8 PolarHBondContact O-N 3.21Å
7P56Low71.4Confident112 Ų112124.9 Ų124.973%0.72768%0.681SS**  trans-58.5111.9177.323-30.2000107.9V9P7-V9 PolarHBondContact O-N 3.28Å
8K63Low72.9Confident182 Ų182122.6 Ų122.679%0.79167%0.665SS**  trans-52.4109.3172.2-78.8-179.9-179.9172.40106.8D6 T10D6-K8 PolarHBondContact O-N 3.21Å; K8-T10 PolarHBondContact O-N 2.67Å
9V61.2Low74.3Confident132 Ų132120.1 Ų120.180%0.865%0.648SS**  trans-57.7108.2176176.20000106.7P7P7-V9 PolarHBondContact O-N 3.28Å
10T67.7Low75.5Confident109 Ų109118.2 Ų118.267%0.66964%0.641SS**  trans-87111.5179.344.50000108.7K8 P37K8-T10 PolarHBondContact O-N 2.67Å; T10-P37 WeakPolarHBondContact CA-O 3.08Å
11T83Confident76.6Confident50 Ų50116.7 Ų116.731%0.30763%0.632SS.*PPolyproline II helixtrans-73.8138.1173.332.80000110.4P13 L35 D36 P37 G39T11-P13 WeakPolarHBondContact O-CD 3.25Å; T11-L35 HydrophobicContact CG2-CD2 4.07Å; T11-D36 PolarHBondContact OG1-O 3.39Å; T11-D36 VanDerWaalsContact OG1-O 3.07Å; T11-P37 PolarHBondContact N-O 3Å; T11-P37 WeakPolarHBondContact O-CA 3.36Å; T11-G39 WeakPolarHBondContact OG1-CA 3.48Å; T11-G39 PolarHBondContact OG1-N 2.87Å
12T93.9Very high79.3Confident119 Ų119107.4 Ų107.473%0.7360%0.595SS**PPolyproline II helixtrans-65.5124.8172.3-54.80000109.7H14T12-H14 PolarHBondContact O-N 2.83Å; T12-H14 PolarHBondContact O-ND1 2.8Å
13P96.4Very high81.8Confident73 Ų73108.1 Ų108.147%0.47459%0.585SS.*PPolyproline II helixtrans-61.3134.2178.1-25.436.1000111.8T11 L35 P37T11-P13 WeakPolarHBondContact O-CD 3.25Å; P13-L35 VanDerWaalsContact CA-O 3.22Å; P13-L35 WeakPolarHBondContact CA-O 3.26Å; P13-L35 WeakPolarHBondContact CB-O 3.47Å; P13-P37 HydrophobicContact CG-CG 3.71Å
14H96.9Very high84.3Confident103 Ų103102.6 Ų102.648%0.47757%0.565SS.*EExtended strand (participates in β ladder)trans-153155.1177.460.2-82.6000111T12 Y34 L35T12-H14 PolarHBondContact O-N 2.83Å; T12-H14 PolarHBondContact O-ND1 2.8Å; H14-Y34 VanDerWaalsContact O-CA 3.31Å; H14-Y34 WeakPolarHBondContact O-CA 3.38Å; H14-Y34 WeakPolarHBondContact O-CB 3.31Å; H14-L35 PolarHBondContact O-N 2.85Å
15I98Very high86.3Confident99 Ų99104.9 Ų104.951%0.50856%0.563SS.*EExtended strand (participates in β ladder)trans-71.4130.3174.3-62.6172.2000108.4E18 T32I15-E18 HydrophobicContact CG2-CG 3.71Å; I15-T32 HydrophobicContact CD1-CG2 4.31Å; I15-T32 HydrophobicContact CG1-CG2 4.06Å; I15-T32 HydrophobicContact CG2-CG2 4.07Å
16I98Very high88.2Confident85 Ų85103.4 Ų103.444%0.43655%0.55SS.*EExtended strand (participates in β ladder)trans-90.9-47.8175.3-62.6170.6000109.6T33 L35 T41I16-T33 HydrophobicContact CB-CG2 4.29Å; I16-T33 HydrophobicContact CD1-CG2 4.29Å; I16-T33 PolarHBondContact N-O 2.8Å; I16-L35 HydrophobicContact CD1-CB 4.14Å; I16-L35 HydrophobicContact CD1-CD1 4.38Å; I16-L35 HydrophobicContact CG1-CB 4.45Å; I16-T41 HydrophobicContact CD1-CG2 4.13Å
17K98.1Very high90.1Very high95 Ų95100.5 Ų100.541%0.41354%0.538SS..EExtended strand (participates in β ladder)trans-159.4160.8177.961.4169.4-178.8163.70111.7E19 T33K17-E19 HydrophobicContact CD-CG 4.19Å; K17-E19 WeakPolarHBondContact CE-OE2 3.31Å; K17-E19 IonicContact NZ-OE1 2.8Å; K17-E19 PolarHBondContact NZ-OE1 2.79Å; K17-E19 IonicContact NZ-OE2 2.83Å; K17-E19 PolarHBondContact NZ-OE2 3.49Å; K17-T33 HydrophobicContact CG-CG2 4.47Å; K17-T33 PolarHBondContact N-O 3.3Å; K17-T33 PolarHBondContact O-N 2.92Å
18E98.3Very high92.1Very high84 Ų8497.5 Ų97.539%0.39351%0.513SS..EExtended strand (participates in β ladder)trans-130.8126.8174.4-55.9-170.9119.900108.9I15 T32 K48I15-E18 HydrophobicContact CG2-CG 3.71Å; E18-T32 HydrophobicContact CG-CG2 4.24Å; E18-T32 PolarHBondContact OE1-OG1 3.04Å; E18-K48 IonicContact OE1-NZ 2.77Å; E18-K48 PolarHBondContact OE1-NZ 3.19Å; E18-K48 IonicContact OE2-NZ 3.96Å; E18-K48 PolarHBondContact OE2-NZ 2.93Å
19E98.4Very high93.8Very high74 Ų7492 Ų9235%0.34649%0.492SS..EExtended strand (participates in β ladder)trans-120.3121.9-175.5-66.8170.2120.300109.4K17 L21 E30 Q31K17-E19 HydrophobicContact CD-CG 4.19Å; K17-E19 WeakPolarHBondContact CE-OE2 3.31Å; K17-E19 IonicContact NZ-OE1 2.8Å; K17-E19 PolarHBondContact NZ-OE1 2.79Å; K17-E19 IonicContact NZ-OE2 2.83Å; K17-E19 PolarHBondContact NZ-OE2 3.49Å; E19-L21 PolarHBondContact O-N 3.49Å; E19-E30 CarbonylContact O-C 3.49Å; E19-E30 VanDerWaalsContact O-CA 3.25Å; E19-E30 WeakPolarHBondContact O-CA 3.33Å; E19-Q31 PolarHBondContact N-O 3.18Å; E19-Q31 PolarHBondContact O-N 3.28Å; E19-Q31 PolarHBondContact OE2-NE2 2.94Å
20V98.4Very high95.6Very high82 Ų8286.1 Ų86.150%0.49746%0.456SS..EExtended strand (participates in β ladder)trans-69.1121.3179-179.70000109.7E23 E30V20-E23 HydrophobicContact CG1-CB 4.13Å; V20-E30 HydrophobicContact CG2-CG 4.17Å
21L98.4Very high97.1Very high88 Ų8884 Ų8446%0.46144%0.438SS..EExtended strand (participates in β ladder)trans-90.5-42.2174.3-62.2-179.1000111.2E19 L29 Q31E19-L21 PolarHBondContact O-N 3.49Å; L21-L29 HydrophobicContact CB-CD2 4.28Å; L21-L29 HydrophobicContact CB-CG 4.26Å; L21-L29 HydrophobicContact CD1-CD2 4.2Å; L21-L29 HydrophobicContact CD1-CG 4.19Å; L21-L29 PolarHBondContact N-O 2.95Å; L21-Q31 HydrophobicContact CD1-CB 4.05Å; L21-Q31 HydrophobicContact CD2-CB 4.05Å; L21-Q31 HydrophobicContact CG-CB 4.06Å
22A98.4Very high97.8Very high55 Ų5582.1 Ų82.146%0.45543%0.426SS..EExtended strand (participates in β ladder)trans-154.4145.417700000110.6K28 L29A22-K28 CarbonylContact O-C 3.52Å; A22-K28 WeakPolarHBondContact O-CA 3.36Å; A22-L29 HydrophobicContact CB-CB 4.48Å; A22-L29 PolarHBondContact N-O 2.69Å; A22-L29 PolarHBondContact O-N 2.66Å
23E98.3Very high98Very high133 Ų13377 Ų7762%0.62140%0.395SS*.EExtended strand (participates in β ladder)trans-136.3127.6178.6-178.8168.7129.600110.1V20 K28 T50V20-E23 HydrophobicContact CG1-CB 4.13Å; E23-K28 HydrophobicContact CB-CB 4.12Å; E23-K28 HydrophobicContact CG-CB 4.04Å; E23-T50 HydrophobicContact CG-CG2 4.01Å
24G98.1Very high98.1Very high39 Ų3976.4 Ų76.440%0.40238%0.384SS..  trans-114.6-174.6171.700000111.6W26 V27G24-W26 VanDerWaalsContact C-N 3.29Å; G24-W26 PolarHBondContact O-N 3.12Å; G24-V27 PolarHBondContact N-O 2.77Å
25K97.1Very high98.2Very high159 Ų15972.8 Ų72.869%0.69137%0.368SS*.SBendtrans-60.6-35.4-178.7-175.1177.2176.7-174.40113.6T50K25-T50 PolarHBondContact O-OG1 3.19Å
26W96.8Very high98.1Very high154 Ų15468.5 Ų68.558%0.58335%0.346SS*.SBendtrans-119.3-20.1-169.1-52.6117.4000114.5G24 T50 T51G24-W26 VanDerWaalsContact C-N 3.29Å; G24-W26 PolarHBondContact O-N 3.12Å; W26-T50 WeakPolarHBondContact CA-OG1 3.35Å; W26-T50 PolarHBondContact N-OG1 3.36Å; W26-T50 PolarHBondContact O-N 3.04Å; W26-T50 PolarHBondContact O-OG1 2.96Å; W26-T51 HydrophobicContact CE3-CG2 3.52Å; W26-T51 HydrophobicContact CZ3-CG2 3.85Å
27V97.9Very high98Very high84 Ų8467.8 Ų67.851%0.50935%0.347SS..EExtended strand (participates in β ladder)trans-144.3145.1-174.565.60000109.8G24 K48G24-V27 PolarHBondContact N-O 2.77Å; V27-K48 CarbonylContact C-O 3.55Å; V27-K48 WeakPolarHBondContact CA-O 3.24Å
28K98.1Very high97.8Very high49 Ų4966.8 Ų66.821%0.21336%0.356CS..EExtended strand (participates in β ladder)trans-127.2149.8169.861.8175.2175.9164.40111A22 E23 E30 A47 K48 T50A22-K28 CarbonylContact O-C 3.52Å; A22-K28 WeakPolarHBondContact O-CA 3.36Å; E23-K28 HydrophobicContact CB-CB 4.12Å; E23-K28 HydrophobicContact CG-CB 4.04Å; K28-E30 HydrophobicContact CD-CG 4.49Å; K28-E30 WeakPolarHBondContact CD-OE1 3.06Å; K28-E30 WeakPolarHBondContact CE-OE1 3.37Å; K28-E30 IonicContact NZ-OE1 2.67Å; K28-E30 PolarHBondContact NZ-OE1 2.78Å; K28-A47 WeakPolarHBondContact O-CA 3.38Å; K28-K48 HydrophobicContact CG-CB 3.9Å; K28-K48 PolarHBondContact N-O 3.42Å; K28-K48 PolarHBondContact O-N 2.94Å; K28-T50 HydrophobicContact CB-CG2 4.07Å; K28-T50 HydrophobicContact CD-CG2 4.42Å; K28-T50 HydrophobicContact CG-CG2 4.17Å
29L98.7Very high97.7Very high67 Ų6764.5 Ų64.535%0.35136%0.356SS..EExtended strand (participates in β ladder)trans-110.8128.9175.4-179.967.8000108.5L21 A22 E45 T46L21-L29 HydrophobicContact CB-CD2 4.28Å; L21-L29 HydrophobicContact CB-CG 4.26Å; L21-L29 HydrophobicContact CD1-CD2 4.2Å; L21-L29 HydrophobicContact CD1-CG 4.19Å; L21-L29 PolarHBondContact N-O 2.95Å; A22-L29 HydrophobicContact CB-CB 4.48Å; A22-L29 PolarHBondContact N-O 2.69Å; A22-L29 PolarHBondContact O-N 2.66Å; L29-E45 HydrophobicContact CD1-CB 4.38Å; L29-T46 WeakPolarHBondContact CA-O 3.13Å
30E98.5Very high97.6Very high7 Ų764.9 Ų64.93%0.03336%0.36CS..EExtended strand (participates in β ladder)trans-125.5148.8-179.7-65.5178.617600111E19 V20 K28 E45 T46 K48E19-E30 CarbonylContact O-C 3.49Å; E19-E30 VanDerWaalsContact O-CA 3.25Å; E19-E30 WeakPolarHBondContact O-CA 3.33Å; V20-E30 HydrophobicContact CG2-CG 4.17Å; K28-E30 HydrophobicContact CD-CG 4.49Å; K28-E30 WeakPolarHBondContact CD-OE1 3.06Å; K28-E30 WeakPolarHBondContact CE-OE1 3.37Å; K28-E30 IonicContact NZ-OE1 2.67Å; K28-E30 PolarHBondContact NZ-OE1 2.78Å; E30-E45 WeakPolarHBondContact O-CA 3.38Å; E30-T46 PolarHBondContact N-O 3.43Å; E30-T46 PolarHBondContact O-N 2.89Å; E30-K48 WeakPolarHBondContact OE2-CD 3.15Å; E30-K48 WeakPolarHBondContact OE2-CE 3.35Å; E30-K48 IonicContact OE2-NZ 3.56Å; E30-K48 PolarHBondContact OE2-NZ 2.88Å
31Q98.6Very high97.5Very high66 Ų6665.5 Ų65.531%0.30836%0.364SS..EExtended strand (participates in β ladder)trans-92.6107.8162.2-173.8176.6-9600108.3E19 L21 T43E19-Q31 PolarHBondContact N-O 3.18Å; E19-Q31 PolarHBondContact O-N 3.28Å; E19-Q31 PolarHBondContact OE2-NE2 2.94Å; L21-Q31 HydrophobicContact CD1-CB 4.05Å; L21-Q31 HydrophobicContact CD2-CB 4.05Å; L21-Q31 HydrophobicContact CG-CB 4.06Å; Q31-T43 HydrophobicContact CG-CG2 4.39Å
32T98.6Very high97.5Very high9 Ų966.8 Ų66.86%0.05536%0.363CS..EExtended strand (participates in β ladder)trans-89.5121.8175.5-58.60000109.1I15 E18 T43 W44 T46I15-T32 HydrophobicContact CD1-CG2 4.31Å; I15-T32 HydrophobicContact CG1-CG2 4.06Å; I15-T32 HydrophobicContact CG2-CG2 4.07Å; E18-T32 HydrophobicContact CG-CG2 4.24Å; E18-T32 PolarHBondContact OE1-OG1 3.04Å; T32-T43 CarbonylContact O-C 3.55Å; T32-T43 VanDerWaalsContact O-CA 3.3Å; T32-T43 WeakPolarHBondContact O-CA 3.29Å; T32-W44 PolarHBondContact N-O 2.79Å; T32-W44 PolarHBondContact O-N 3.27Å; T32-T46 VanDerWaalsContact OG1-CG2 3.29Å; T32-T46 WeakPolarHBondContact OG1-CG2 3.31Å; T32-T46 PolarHBondContact OG1-OG1 2.82Å
33T98.6Very high97.5Very high11 Ų1168.2 Ų68.27%0.06737%0.366CS..EExtended strand (participates in β ladder)trans-99.1127.9171.5-55.90000108.8I16 K17 T41 R42I16-T33 HydrophobicContact CB-CG2 4.29Å; I16-T33 HydrophobicContact CD1-CG2 4.29Å; I16-T33 PolarHBondContact N-O 2.8Å; K17-T33 HydrophobicContact CG-CG2 4.47Å; K17-T33 PolarHBondContact N-O 3.3Å; K17-T33 PolarHBondContact O-N 2.92Å; T33-T41 HydrophobicContact CG2-CG2 3.36Å; T33-R42 CarbonylContact C-O 3.6Å; T33-R42 VanDerWaalsContact CA-O 3.31Å; T33-R42 WeakPolarHBondContact CA-O 3.3Å
34Y98.1Very high97.6Very high61 Ų6168.3 Ų68.324%0.23936%0.361CS..EExtended strand (participates in β ladder)trans-137157.9-178.274.7-82.7000112.3H14 D36 R42 W44H14-Y34 VanDerWaalsContact O-CA 3.31Å; H14-Y34 WeakPolarHBondContact O-CA 3.38Å; H14-Y34 WeakPolarHBondContact O-CB 3.31Å; Y34-D36 HydrophobicContact CE2-CB 4.27Å; Y34-R42 HydrophobicContact CD1-CB 4.02Å; Y34-R42 HydrophobicContact CE1-CB 3.5Å; Y34-R42 HydrophobicContact CE2-CB 4.17Å; Y34-R42 PolarHBondContact N-O 2.84Å; Y34-R42 PolarHBondContact O-N 2.85Å; Y34-R42 VanDerWaalsContact OH-CD 3.29Å; Y34-R42 WeakPolarHBondContact OH-CD 3.18Å; Y34-W44 HydrophobicContact CE1-CB 4.36Å; Y34-W44 HydrophobicContact CE1-CE3 4.42Å
35L97.9Very high97.6Very high27 Ų2772.6 Ų72.614%0.14137%0.37CS..EExtended strand (participates in β ladder)trans-91.3130172.1-16273.6000109.9T11 P13 H14 I16 G39T11-L35 HydrophobicContact CG2-CD2 4.07Å; P13-L35 VanDerWaalsContact CA-O 3.22Å; P13-L35 WeakPolarHBondContact CA-O 3.26Å; P13-L35 WeakPolarHBondContact CB-O 3.47Å; H14-L35 PolarHBondContact O-N 2.85Å; I16-L35 HydrophobicContact CD1-CB 4.14Å; I16-L35 HydrophobicContact CD1-CD1 4.38Å; I16-L35 HydrophobicContact CG1-CB 4.45Å; L35-G39 WeakPolarHBondContact CD1-O 3.35Å
36D96.3Very high97.6Very high9 Ų966 Ų665%0.04834%0.344CS..  trans-84.7171.4174.9842.1000112.6T11 Y34 A38 G39 N40 R42T11-D36 PolarHBondContact OG1-O 3.39Å; T11-D36 VanDerWaalsContact OG1-O 3.07Å; Y34-D36 HydrophobicContact CE2-CB 4.27Å; D36-A38 PolarHBondContact O-N 3.36Å; D36-A38 VanDerWaalsContact O-N 3.11Å; D36-A38 VanDerWaalsContact OD1-C 3.25Å; D36-A38 VanDerWaalsContact OD1-CA 3.25Å; D36-A38 WeakPolarHBondContact OD1-CA 3.47Å; D36-A38 WeakPolarHBondContact OD1-CB 3.46Å; D36-A38 PolarHBondContact OD1-N 3.29Å; D36-G39 PolarHBondContact O-N 2.7Å; D36-G39 PolarHBondContact OD1-N 2.87Å; D36-N40 PolarHBondContact N-O 2.8Å; D36-N40 PolarHBondContact OD1-N 3.24Å; D36-N40 PolarHBondContact OD1-ND2 2.85Å; D36-N40 PolarHBondContact OD2-ND2 3.32Å; D36-R42 HydrophobicContact CB-CG 4.42Å; D36-R42 IonicContact OD2-CZ 3.52Å; D36-R42 IonicContact OD2-NE 2.78Å; D36-R42 PolarHBondContact OD2-NE 3Å; D36-R42 IonicContact OD2-NH2 2.66Å; D36-R42 PolarHBondContact OD2-NH2 3.11Å
37P95.9Very high97.7Very high71 Ų7159.8 Ų59.846%0.46133%0.325SS..THydrogen-bonded Turntrans-60.9-18177.6-24.333.4000115.5T10 T11 P13T10-P37 WeakPolarHBondContact CA-O 3.08Å; T11-P37 PolarHBondContact N-O 3Å; T11-P37 WeakPolarHBondContact O-CA 3.36Å; P13-P37 HydrophobicContact CG-CG 3.71Å
38A94.9Very high97.7Very high73 Ų7356.8 Ų56.860%0.60331%0.305SS*.THydrogen-bonded Turntrans-95.76.4178.600000112.6D36 N40D36-A38 PolarHBondContact O-N 3.36Å; D36-A38 VanDerWaalsContact O-N 3.11Å; D36-A38 VanDerWaalsContact OD1-C 3.25Å; D36-A38 VanDerWaalsContact OD1-CA 3.25Å; D36-A38 WeakPolarHBondContact OD1-CA 3.47Å; D36-A38 WeakPolarHBondContact OD1-CB 3.46Å; D36-A38 PolarHBondContact OD1-N 3.29Å; A38-N40 VanDerWaalsContact C-N 3.3Å; A38-N40 WeakPolarHBondContact CB-ND2 3.36Å
39G94.6Very high97.6Very high37 Ų3759.2 Ų59.238%0.38131%0.313SS..SBendtrans78.910.2-18000000114.1T11 L35 D36T11-G39 WeakPolarHBondContact OG1-CA 3.48Å; T11-G39 PolarHBondContact OG1-N 2.87Å; L35-G39 WeakPolarHBondContact CD1-O 3.35Å; D36-G39 PolarHBondContact O-N 2.7Å; D36-G39 PolarHBondContact OD1-N 2.87Å
40N96.6Very high97.5Very high81 Ų8158.3 Ų58.343%0.43331%0.31SS..  trans-84.7138.8176.6-52.2-69.4000110.4D36 A38D36-N40 PolarHBondContact N-O 2.8Å; D36-N40 PolarHBondContact OD1-N 3.24Å; D36-N40 PolarHBondContact OD1-ND2 2.85Å; D36-N40 PolarHBondContact OD2-ND2 3.32Å; A38-N40 VanDerWaalsContact C-N 3.3Å; A38-N40 WeakPolarHBondContact CB-ND2 3.36Å
41T98Very high97.2Very high96 Ų9659.1 Ų59.159%0.58932%0.315SS*.EExtended strand (participates in β ladder)trans-76.7130.5168.5-60.40000109.6I16 T33I16-T41 HydrophobicContact CD1-CG2 4.13Å; T33-T41 HydrophobicContact CG2-CG2 3.36Å
42R98.3Very high96.7Very high115 Ų11560.3 Ų60.343%0.43432%0.317SS..EExtended strand (participates in β ladder)trans-128.8160.7177.8-65.1-175-177.1-80.1-8.1110.5T33 Y34 D36T33-R42 CarbonylContact C-O 3.6Å; T33-R42 VanDerWaalsContact CA-O 3.31Å; T33-R42 WeakPolarHBondContact CA-O 3.3Å; Y34-R42 HydrophobicContact CD1-CB 4.02Å; Y34-R42 HydrophobicContact CE1-CB 3.5Å; Y34-R42 HydrophobicContact CE2-CB 4.17Å; Y34-R42 PolarHBondContact N-O 2.84Å; Y34-R42 PolarHBondContact O-N 2.85Å; Y34-R42 VanDerWaalsContact OH-CD 3.29Å; Y34-R42 WeakPolarHBondContact OH-CD 3.18Å; D36-R42 HydrophobicContact CB-CG 4.42Å; D36-R42 IonicContact OD2-CZ 3.52Å; D36-R42 IonicContact OD2-NE 2.78Å; D36-R42 PolarHBondContact OD2-NE 3Å; D36-R42 IonicContact OD2-NH2 2.66Å; D36-R42 PolarHBondContact OD2-NH2 3.11Å
43T98.4Very high96.1Very high85 Ų8565.9 Ų65.952%0.52134%0.337SS..EExtended strand (participates in β ladder)trans-117.3154.3173.755.30000110.8Q31 T32Q31-T43 HydrophobicContact CG-CG2 4.39Å; T32-T43 CarbonylContact O-C 3.55Å; T32-T43 VanDerWaalsContact O-CA 3.3Å; T32-T43 WeakPolarHBondContact O-CA 3.29Å
44W98.6Very high95Very high135 Ų13570.5 Ų70.551%0.51137%0.37SS..EExtended strand (participates in β ladder)trans-147.6140.2175-156.4-86.1000109.6T32 Y34 G134T32-W44 PolarHBondContact N-O 2.79Å; T32-W44 PolarHBondContact O-N 3.27Å; Y34-W44 HydrophobicContact CE1-CB 4.36Å; Y34-W44 HydrophobicContact CE1-CE3 4.42Å; W44-G134 PolarHBondContact NE1-O 2.61Å
45E98.6Very high94.1Very high128 Ų12873 Ų7360%0.59839%0.387SS*.EExtended strand (participates in β ladder)trans-86.7122.9172-70.1-180-176.700109.3L29 E30L29-E45 HydrophobicContact CD1-CB 4.38Å; E30-E45 WeakPolarHBondContact O-CA 3.38Å
46T98.3Very high93.4Very high22 Ų2272.8 Ų72.814%0.13539%0.387CS..EExtended strand (participates in β ladder)trans-122.9137.8-175.861.40000111.9L29 E30 T32 L135L29-T46 WeakPolarHBondContact CA-O 3.13Å; E30-T46 PolarHBondContact N-O 3.43Å; E30-T46 PolarHBondContact O-N 2.89Å; T32-T46 VanDerWaalsContact OG1-CG2 3.29Å; T32-T46 WeakPolarHBondContact OG1-CG2 3.31Å; T32-T46 PolarHBondContact OG1-OG1 2.82Å; T46-L135 WeakPolarHBondContact CA-O 3.33Å
47A98.3Very high93Very high23 Ų2379.1 Ų79.119%0.1942%0.416CS..EExtended strand (participates in β ladder)trans-99.3136.7173.700000110.8K28 L135 S136 N137K28-A47 WeakPolarHBondContact O-CA 3.38Å; A47-L135 HydrophobicContact CB-CG 4.48Å; A47-L135 PolarHBondContact N-O 2.95Å; A47-S136 WeakPolarHBondContact O-CA 3.37Å; A47-S136 WeakPolarHBondContact O-CB 3.33Å; A47-N137 PolarHBondContact O-N 2.85Å; A47-N137 VanDerWaalsContact O-N 3.15Å
48K97.8Very high92.9Very high20 Ų2075.7 Ų75.79%0.08739%0.394CS..EExtended strand (participates in β ladder)trans-136.8147.9176.6-54.5-173.6175.6166.10110.8E18 V27 K28 E30 N137E18-K48 IonicContact OE1-NZ 2.77Å; E18-K48 PolarHBondContact OE1-NZ 3.19Å; E18-K48 IonicContact OE2-NZ 3.96Å; E18-K48 PolarHBondContact OE2-NZ 2.93Å; V27-K48 CarbonylContact C-O 3.55Å; V27-K48 WeakPolarHBondContact CA-O 3.24Å; K28-K48 HydrophobicContact CG-CB 3.9Å; K28-K48 PolarHBondContact N-O 3.42Å; K28-K48 PolarHBondContact O-N 2.94Å; E30-K48 WeakPolarHBondContact OE2-CD 3.15Å; E30-K48 WeakPolarHBondContact OE2-CE 3.35Å; E30-K48 IonicContact OE2-NZ 3.56Å; E30-K48 PolarHBondContact OE2-NZ 2.88Å; K48-N137 WeakPolarHBondContact CA-OD1 3.47Å; K48-N137 WeakPolarHBondContact CB-OD1 3.37Å; K48-N137 HydrophobicContact CD-CB 4.41Å; K48-N137 HydrophobicContact CG-CB 4.13Å; K48-N137 VanDerWaalsContact CG-CG 3.49Å; K48-N137 WeakPolarHBondContact CG-OD1 3.46Å
49R97.1Very high93Very high101 Ų10172.6 Ų72.638%0.38137%0.368SS..EExtended strand (participates in β ladder)trans-72.5141.8168.7-73.8178.1176.1-88.52.9110T51R49-T51 VanDerWaalsContact C-N 3.27Å
50T95.9Very high93.2Very high48 Ų4871.1 Ų71.129%0.29435%0.353SS..SBendtrans-85.6-4.7169.551.90000112.3E23 K25 W26 K28E23-T50 HydrophobicContact CG-CG2 4.01Å; K25-T50 PolarHBondContact O-OG1 3.19Å; W26-T50 WeakPolarHBondContact CA-OG1 3.35Å; W26-T50 PolarHBondContact N-OG1 3.36Å; W26-T50 PolarHBondContact O-N 3.04Å; W26-T50 PolarHBondContact O-OG1 2.96Å; K28-T50 HydrophobicContact CB-CG2 4.07Å; K28-T50 HydrophobicContact CD-CG2 4.42Å; K28-T50 HydrophobicContact CG-CG2 4.17Å
51T92.9Very high93.2Very high23 Ų2367.3 Ų67.314%0.14133%0.332CS..  trans-98.7-6.3-175.956.70000114.4W26 R49 R53W26-T51 HydrophobicContact CE3-CG2 3.52Å; W26-T51 HydrophobicContact CZ3-CG2 3.85Å; R49-T51 VanDerWaalsContact C-N 3.27Å; T51-R53 PolarHBondContact O-N 3.23Å; T51-R53 VanDerWaalsContact O-N 3.12Å
52R87.9Confident93.3Very high92 Ų9262.9 Ų62.935%0.34731%0.305SS..  trans-58.8120.7176.9-172.6178.2-71.8-169.4-3.7108.9D59 N137 T139R52-D59 VanDerWaalsContact CB-OD1 3.31Å; R52-D59 WeakPolarHBondContact CB-OD1 3.2Å; R52-D59 IonicContact CZ-OD1 2.71Å; R52-D59 IonicContact CZ-OD2 2.85Å; R52-D59 IonicContact NE-OD1 3.86Å; R52-D59 PolarHBondContact NE-OD1 2.81Å; R52-D59 IonicContact NE-OD2 3.91Å; R52-D59 VanDerWaalsContact NH2-CG 3.32Å; R52-D59 IonicContact NH2-OD1 3.56Å; R52-D59 PolarHBondContact NH2-OD1 3.21Å; R52-D59 IonicContact NH2-OD2 2.78Å; R52-D59 PolarHBondContact NH2-OD2 3Å; R52-N137 PolarHBondContact NH2-O 2.78Å; R52-T139 PolarHBondContact NH2-OG1 2.83Å
53R84.4Confident93.3Very high125 Ų12557.4 Ų57.447%0.47229%0.285SS..  trans-79.8147178.7-56.9-57.9-177.9179.41109.4T51 N55 T56 E100T51-R53 PolarHBondContact O-N 3.23Å; T51-R53 VanDerWaalsContact O-N 3.12Å; R53-N55 PolarHBondContact O-N 3.46Å; R53-T56 HydrophobicContact CB-CG2 3.91Å; R53-T56 PolarHBondContact O-N 3.26Å; R53-T56 PolarHBondContact O-OG1 3.11Å; R53-E100 HydrophobicContact CG-CB 4.38Å
54S75.8Confident93.3Very high109 Ų10954.4 Ų54.476%0.76227%0.265SS*.THydrogen-bonded Turntrans-66.8-19.9-176.154.90000113.7
55N79.2Confident93.3Very high113 Ų11348 Ų4860%0.60424%0.241SC*.THydrogen-bonded Turntrans-111.920.4-173.2-60-20.5000112.8R53R53-N55 PolarHBondContact O-N 3.46Å
56T84.4Confident93.3Very high22 Ų2242.9 Ų42.914%0.13522%0.218CC..  trans-114144.4175.363.50000110.8R53 A58 I98R53-T56 HydrophobicContact CB-CG2 3.91Å; R53-T56 PolarHBondContact O-N 3.26Å; R53-T56 PolarHBondContact O-OG1 3.11Å; T56-A58 VanDerWaalsContact C-N 3.35Å; T56-A58 WeakPolarHBondContact CB-O 3.45Å; T56-A58 PolarHBondContact OG1-O 3.05Å; T56-I98 HydrophobicContact CG2-CB 4.22Å; T56-I98 HydrophobicContact CG2-CG2 3.68Å
57E86.2Confident93.3Very high142 Ų14242 Ų4266%0.66421%0.212SC*.SBendtrans-73.4-28.6179.5-62.3-169.3161.700112.5V128E57-V128 HydrophobicContact CB-CG2 3.83Å; E57-V128 WeakPolarHBondContact O-CG2 3.37Å
58A95.3Very high93.3Very high0 Ų044.6 Ų44.60%022%0.219CC..SBendtrans-137.9171.6179.100000111.6T56 I98 V128 T139 Q141T56-A58 VanDerWaalsContact C-N 3.35Å; T56-A58 WeakPolarHBondContact CB-O 3.45Å; T56-A58 PolarHBondContact OG1-O 3.05Å; A58-I98 HydrophobicContact CB-CD1 4.24Å; A58-V128 HydrophobicContact CB-CG1 4.24Å; A58-V128 HydrophobicContact CB-CG2 4.46Å; A58-T139 WeakPolarHBondContact CA-OG1 3.38Å; A58-Q141 HydrophobicContact CB-CG 4.23Å
59D97.1Very high93.3Very high8 Ų847 Ų474%0.04323%0.227CC..SBendtrans-71.4-38.7172.7-59-71.9000112.1R52 L97 I98 C138 T139R52-D59 VanDerWaalsContact CB-OD1 3.31Å; R52-D59 WeakPolarHBondContact CB-OD1 3.2Å; R52-D59 IonicContact CZ-OD1 2.71Å; R52-D59 IonicContact CZ-OD2 2.85Å; R52-D59 IonicContact NE-OD1 3.86Å; R52-D59 PolarHBondContact NE-OD1 2.81Å; R52-D59 IonicContact NE-OD2 3.91Å; R52-D59 VanDerWaalsContact NH2-CG 3.32Å; R52-D59 IonicContact NH2-OD1 3.56Å; R52-D59 PolarHBondContact NH2-OD1 3.21Å; R52-D59 IonicContact NH2-OD2 2.78Å; R52-D59 PolarHBondContact NH2-OD2 3Å; D59-L97 HydrophobicContact CB-CD2 4.49Å; D59-L97 WeakPolarHBondContact O-CA 3.33Å; D59-L97 WeakPolarHBondContact O-CD2 3.41Å; D59-I98 PolarHBondContact O-N 2.85Å; D59-I98 VanDerWaalsContact O-N 3.1Å; D59-C138 WeakPolarHBondContact OD2-CA 3.25Å; D59-T139 WeakPolarHBondContact CB-O 3.22Å; D59-T139 PolarHBondContact N-O 3.07Å; D59-T139 VanDerWaalsContact N-O 3.15Å; D59-T139 PolarHBondContact OD2-N 2.99Å
60G97.4Very high93.2Very high6 Ų647.9 Ų47.96%0.06224%0.244CC..EExtended strand (participates in β ladder)trans-157.2177.1-170.100000113.4G96 T140 Q141G60-G96 CarbonylContact C-O 3.58Å; G60-G96 WeakPolarHBondContact CA-O 3.49Å; G60-T140 WeakPolarHBondContact O-CA 3.17Å; G60-T140 PolarHBondContact O-OG1 3.48Å; G60-Q141 PolarHBondContact O-N 2.98Å; G60-Q141 VanDerWaalsContact O-N 3.12Å
61V98.4Very high93.1Very high1 Ų152.9 Ų52.91%0.00627%0.268CS..EExtended strand (participates in β ladder)trans-125.1139.5178.467.70000110.4A95 G96 I98 A104 A107 A108 E111 Q141 A143V61-A95 WeakPolarHBondContact O-CA 3.24Å; V61-A95 VanDerWaalsContact O-CB 3.31Å; V61-A95 WeakPolarHBondContact O-CB 3.41Å; V61-G96 PolarHBondContact N-O 3.1Å; V61-G96 PolarHBondContact O-N 3.49Å; V61-G96 VanDerWaalsContact O-N 3.11Å; V61-I98 HydrophobicContact CB-CG1 4.41Å; V61-A104 HydrophobicContact CG2-CB 4.43Å; V61-A107 HydrophobicContact CB-CB 4.45Å; V61-A107 HydrophobicContact CG1-CB 3.72Å; V61-A108 HydrophobicContact CG1-CB 4.44Å; V61-A108 HydrophobicContact CG2-CB 3.93Å; V61-E111 HydrophobicContact CG1-CG 4.45Å; V61-Q141 CarbonylContact C-O 3.48Å; V61-Q141 VanDerWaalsContact CA-O 3.23Å; V61-Q141 WeakPolarHBondContact CA-O 3.21Å; V61-Q141 WeakPolarHBondContact CG2-O 3.25Å; V61-A143 HydrophobicContact CG2-CB 4.15Å
62G98.6Very high93.2Very high2 Ų257 Ų572%0.02129%0.286CS..EExtended strand (participates in β ladder)trans-109148.3166.200000110.7T140 Q141 I142 A143G62-T140 PolarHBondContact N-OG1 2.74Å; G62-Q141 PolarHBondContact N-O 3.49Å; G62-I142 CarbonylContact O-C 3.47Å; G62-I142 VanDerWaalsContact O-CA 3.28Å; G62-I142 WeakPolarHBondContact O-CA 3.4Å; G62-A143 PolarHBondContact O-N 2.91Å
63I98.9Very high93.6Very high0 Ų057.7 Ų57.70%029%0.291CS..EExtended strand (participates in β ladder)trans-122.6112.8-169.1-57.1144.6000110.5A65 F93 P94 A108 E111 L112 A143 V145I63-A65 HydrophobicContact CG2-CB 3.94Å; I63-A65 PolarHBondContact O-N 3.37Å; I63-F93 WeakPolarHBondContact O-CB 3.46Å; I63-P94 HydrophobicContact CB-CB 4.24Å; I63-P94 WeakPolarHBondContact CB-O 3.4Å; I63-P94 HydrophobicContact CD1-CB 3.93Å; I63-P94 PolarHBondContact N-O 2.66Å; I63-P94 WeakPolarHBondContact O-CD 3.07Å; I63-A108 WeakPolarHBondContact CD1-O 3.19Å; I63-A108 HydrophobicContact CG1-CB 3.89Å; I63-E111 HydrophobicContact CD1-CB 3.82Å; I63-L112 HydrophobicContact CD1-CB 4.08Å; I63-L112 HydrophobicContact CG2-CB 4.49Å; I63-L112 HydrophobicContact CG2-CD1 4.29Å; I63-A143 CarbonylContact C-O 3.45Å; I63-A143 WeakPolarHBondContact CA-O 3.5Å; I63-V145 HydrophobicContact CG2-CB 4.14Å; I63-V145 HydrophobicContact CG2-CG2 3.77Å
64I98.8Very high94.2Very high23 Ų2354.4 Ų54.412%0.11828%0.283CS..EExtended strand (participates in β ladder)trans-85.793.8165.5-57.1177.7000106.7L66 F93 I142 A143 L144 V145 F199I64-L66 HydrophobicContact CG2-CD2 4.28Å; I64-F93 HydrophobicContact CD1-CE2 4.35Å; I64-F93 HydrophobicContact CD1-CZ 4.29Å; I64-F93 HydrophobicContact CG1-CD1 4.32Å; I64-F93 HydrophobicContact CG1-CD2 4.26Å; I64-F93 HydrophobicContact CG1-CE1 4.04Å; I64-F93 HydrophobicContact CG1-CE2 3.96Å; I64-F93 HydrophobicContact CG1-CG 4.43Å; I64-F93 HydrophobicContact CG1-CZ 3.86Å; I64-F93 HydrophobicContact CG2-CE1 4.38Å; I64-I142 HydrophobicContact CD1-CG2 3.85Å; I64-I142 HydrophobicContact CG1-CG2 3.8Å; I64-A143 PolarHBondContact N-O 3.08Å; I64-L144 HydrophobicContact CB-CD1 4.08Å; I64-L144 HydrophobicContact CG2-CD1 3.87Å; I64-L144 WeakPolarHBondContact O-CD1 3.46Å; I64-V145 PolarHBondContact O-N 2.87Å; I64-F199 HydrophobicContact CD1-CD2 3.94Å; I64-F199 HydrophobicContact CD1-CE2 4.07Å; I64-F199 HydrophobicContact CD1-CG 4.47Å; I64-F199 HydrophobicContact CG2-CE1 4.37Å; I64-F199 HydrophobicContact CG2-CE2 4.35Å; I64-F199 HydrophobicContact CG2-CZ 4.02Å
65A98.8Very high95.2Very high0 Ų049.6 Ų49.60%025%0.25CC..EExtended strand (participates in β ladder)trans-94.5115.6-178.800000111.2I63 V76 V77 L112 V145 I147I63-A65 HydrophobicContact CG2-CB 3.94Å; I63-A65 PolarHBondContact O-N 3.37Å; A65-V76 WeakPolarHBondContact O-CA 3.34Å; A65-V77 HydrophobicContact CB-CB 3.87Å; A65-V77 HydrophobicContact CB-CG2 4.13Å; A65-V77 PolarHBondContact O-N 3.15Å; A65-L112 HydrophobicContact CB-CD1 3.75Å; A65-L112 HydrophobicContact CB-CD2 4.46Å; A65-V145 CarbonylContact C-O 3.54Å; A65-V145 WeakPolarHBondContact CA-O 3.41Å; A65-I147 HydrophobicContact CB-CD1 3.75Å
66L98.6Very high96.2Very high21 Ų2144.2 Ų44.211%0.1122%0.221CC..EExtended strand (participates in β ladder)trans-101.4107.7178-59.1-175.6000110.4I64 C75 V76 L144 V145 I147 L174I64-L66 HydrophobicContact CG2-CD2 4.28Å; L66-C75 CarbonylContact C-O 3.5Å; L66-C75 WeakPolarHBondContact CA-O 3.17Å; L66-V76 HydrophobicContact CD2-CG2 4.07Å; L66-L144 HydrophobicContact CD1-CD1 3.94Å; L66-L144 HydrophobicContact CG-CD1 4.08Å; L66-V145 PolarHBondContact N-O 3.36Å; L66-I147 PolarHBondContact O-N 2.81Å; L66-L174 HydrophobicContact CD2-CD1 4.17Å; L66-L174 HydrophobicContact CD2-CD2 4.43Å
67L98.7Very high96.8Very high2 Ų243.2 Ų43.21%0.0122%0.215CC..EExtended strand (participates in β ladder)trans-81.8115.2174177.866.6000110.4D74 C75 V77 Y118 I147 L171L67-D74 WeakPolarHBondContact O-CA 3.37Å; L67-C75 HydrophobicContact CB-CB 4.32Å; L67-C75 PolarHBondContact N-O 2.85Å; L67-C75 PolarHBondContact O-N 3.44Å; L67-V77 HydrophobicContact CB-CG2 4.03Å; L67-Y118 HydrophobicContact CD1-CD1 4.41Å; L67-Y118 HydrophobicContact CD1-CE1 3.94Å; L67-Y118 HydrophobicContact CD2-CE1 4.41Å; L67-I147 HydrophobicContact CD1-CB 4.1Å; L67-I147 HydrophobicContact CD1-CG2 3.52Å; L67-L171 HydrophobicContact CD2-CD1 3.95Å; L67-L171 HydrophobicContact CD2-CD2 4.23Å
68K98.3Very high97.4Very high79 Ų7936.4 Ų36.434%0.34318%0.183SC..EExtended strand (participates in β ladder)trans-112.7133.5179.9-56.1-172.7175.9172.40110.1N146 I147 G149K68-N146 WeakPolarHBondContact CE-OD1 3.43Å; K68-N146 PolarHBondContact NZ-OD1 3.25Å; K68-N146 VanDerWaalsContact NZ-OD1 3.16Å; K68-I147 PolarHBondContact N-O 3.3Å; K68-G149 PolarHBondContact O-N 2.92Å
69R96.6Very high97.6Very high69 Ų6936.4 Ų36.426%0.2618%0.183SC..EExtended strand (participates in β ladder)trans-140.4139.7178.3-68.1171.9-68.2178.6-0.7108.9L71 H72R69-L71 PolarHBondContact O-N 2.67Å; R69-L71 VanDerWaalsContact O-N 3.11Å; R69-H72 HydrophobicContact CB-CB 4.07Å; R69-H72 PolarHBondContact O-N 3.15Å; R69-H72 VanDerWaalsContact O-O 3.09Å
70T94.8Very high97.7Very high120 Ų12037.5 Ų37.574%0.73619%0.187SC*.THydrogen-bonded Turntrans-57.5-34.8-170.9-59.60000113D150T70-D150 VanDerWaalsContact CB-OD2 3.25Å; T70-D150 WeakPolarHBondContact CB-OD2 3.39Å; T70-D150 PolarHBondContact N-OD2 2.82Å; T70-D150 PolarHBondContact OG1-OD2 3.48Å
71L94.9Very high97.7Very high153 Ų15338.4 Ų38.480%0.80119%0.19SC*.THydrogen-bonded Turntrans-112.913.5-174.4-59.3179.5000114R69R69-L71 PolarHBondContact O-N 2.67Å; R69-L71 VanDerWaalsContact O-N 3.11Å
72H95.1Very high97.7Very high110 Ų11044.3 Ų44.351%0.50922%0.216SC..EExtended strand (participates in β ladder)trans-132.2159.7179.8-57.1-85.4000111.3R69R69-H72 HydrophobicContact CB-CB 4.07Å; R69-H72 PolarHBondContact O-N 3.15Å; R69-H72 VanDerWaalsContact O-O 3.09Å
73K94.6Very high97.6Very high106 Ų10648 Ų4846%0.46123%0.229SC..EExtended strand (participates in β ladder)trans-63.3145.5167.4-62.1-178.7174.6-167.40109.8D175 E176K73-D175 WeakPolarHBondContact CD-OD1 3.36Å; K73-D175 WeakPolarHBondContact CD-OD2 3.27Å; K73-D175 WeakPolarHBondContact CE-OD2 3.45Å; K73-D175 IonicContact NZ-OD1 3.45Å; K73-D175 IonicContact NZ-OD2 3.67Å; K73-D175 PolarHBondContact NZ-OD2 2.93Å; K73-E176 IonicContact NZ-OE1 3.73Å; K73-E176 PolarHBondContact NZ-OE1 2.9Å
74D97Very high97.5Very high56 Ų5652.6 Ų52.630%0.29926%0.259SS..EExtended strand (participates in β ladder)trans-59.5139.1171.2-73.12.9000109.7L67 L174L67-D74 WeakPolarHBondContact O-CA 3.37Å; D74-L174 HydrophobicContact CB-CB 4.22Å; D74-L174 HydrophobicContact CB-CD2 4.19Å; D74-L174 WeakPolarHBondContact O-CB 3.4Å; D74-L174 PolarHBondContact O-N 2.78Å
75C98.4Very high97.5Very high9 Ų957.3 Ų57.36%0.06129%0.291CS..EExtended strand (participates in β ladder)trans-119.6148.6175.6-67.80000110.5L66 L67 L171 L172L66-C75 CarbonylContact C-O 3.5Å; L66-C75 WeakPolarHBondContact CA-O 3.17Å; L67-C75 HydrophobicContact CB-CB 4.32Å; L67-C75 PolarHBondContact N-O 2.85Å; L67-C75 PolarHBondContact O-N 3.44Å; C75-L171 HydrophobicContact CB-CB 4.35Å; C75-L172 CarbonylContact C-O 3.49Å; C75-L172 VanDerWaalsContact CA-O 3.27Å; C75-L172 WeakPolarHBondContact CA-O 3.08Å
76V98.6Very high97.4Very high0 Ų062.1 Ų62.10%031%0.314CS..EExtended strand (participates in β ladder)trans-87.8127.8163-167.60000108A65 L66 M78 F93 L172 L174 F177A65-V76 WeakPolarHBondContact O-CA 3.34Å; L66-V76 HydrophobicContact CD2-CG2 4.07Å; V76-M78 HydrophobicContact CB-SD 4.15Å; V76-M78 HydrophobicContact CG1-CG 4.43Å; V76-M78 HydrophobicContact CG1-SD 3.45Å; V76-M78 WeakPolarHBondContact CG1-SD 3.21Å; V76-F93 HydrophobicContact CG1-CD1 4.39Å; V76-F93 HydrophobicContact CG1-CE1 3.86Å; V76-L172 PolarHBondContact N-O 3.38Å; V76-L172 PolarHBondContact O-N 3.19Å; V76-L174 HydrophobicContact CG2-CB 4.37Å; V76-L174 HydrophobicContact CG2-CD1 3.51Å; V76-F177 HydrophobicContact CB-CD2 3.98Å; V76-F177 HydrophobicContact CB-CE2 3.57Å; V76-F177 HydrophobicContact CB-CZ 4.21Å; V76-F177 HydrophobicContact CG1-CE2 3.93Å; V76-F177 HydrophobicContact CG1-CZ 4.09Å; V76-F177 HydrophobicContact CG2-CD2 3.7Å; V76-F177 HydrophobicContact CG2-CE2 3.71Å; V76-F177 HydrophobicContact CG2-CG 4.23Å; V76-F177 HydrophobicContact CG2-CZ 4.24Å
77V98.8Very high97.3Very high0 Ų063.8 Ų63.80%034%0.337CS..EExtended strand (participates in β ladder)trans-81.7120.5172.6-172.60000108.3A65 L67 P94 T116 Y118 I147 V169 L171A65-V77 HydrophobicContact CB-CB 3.87Å; A65-V77 HydrophobicContact CB-CG2 4.13Å; A65-V77 PolarHBondContact O-N 3.15Å; L67-V77 HydrophobicContact CB-CG2 4.03Å; V77-P94 WeakPolarHBondContact O-CD 3.19Å; V77-T116 HydrophobicContact CG1-CG2 3.78Å; V77-Y118 HydrophobicContact CG1-CD2 3.98Å; V77-Y118 HydrophobicContact CG1-CE2 4.11Å; V77-Y118 HydrophobicContact CG2-CD2 4.11Å; V77-Y118 HydrophobicContact CG2-CE2 4.13Å; V77-I147 HydrophobicContact CG2-CD1 3.72Å; V77-V169 HydrophobicContact CG1-CG1 3.96Å; V77-L171 HydrophobicContact CB-CD2 4.2Å; V77-L171 HydrophobicContact CG1-CD2 4.12Å; V77-L171 HydrophobicContact CG2-CD2 3.81Å
78M98.8Very high97.3Very high0 Ų064.6 Ų64.60%035%0.345CS..EExtended strand (participates in β ladder)trans-119.8160.8-178-53.9-58.7-66.400109.9V76 L91 E92 F93 I170 L172 F177 V196V76-M78 HydrophobicContact CB-SD 4.15Å; V76-M78 HydrophobicContact CG1-CG 4.43Å; V76-M78 HydrophobicContact CG1-SD 3.45Å; V76-M78 WeakPolarHBondContact CG1-SD 3.21Å; M78-L91 HydrophobicContact CB-CD1 3.94Å; M78-L91 HydrophobicContact CE-CG 4.25Å; M78-E92 WeakPolarHBondContact CE-O 3.5Å; M78-F93 HydrophobicContact CE-CD1 3.93Å; M78-F93 HydrophobicContact CE-CE1 4.08Å; M78-F93 HydrophobicContact SD-CD1 3.75Å; M78-F93 HydrophobicContact SD-CE1 3.81Å; M78-I170 WeakPolarHBondContact CA-O 3.46Å; M78-I170 HydrophobicContact CB-CB 4.27Å; M78-I170 WeakPolarHBondContact CB-O 3.44Å; M78-I170 PolarHBondContact N-O 3.23Å; M78-I170 PolarHBondContact O-N 3.02Å; M78-L172 HydrophobicContact CG-CD1 3.99Å; M78-L172 HydrophobicContact CG-CG 4.06Å; M78-F177 HydrophobicContact CE-CE2 4.43Å; M78-F177 HydrophobicContact CE-CZ 3.99Å; M78-F177 HydrophobicContact CG-CE2 4.13Å; M78-F177 HydrophobicContact SD-CE2 3.76Å; M78-F177 HydrophobicContact SD-CZ 3.7Å; M78-V196 HydrophobicContact CE-CB 4.16Å; M78-V196 HydrophobicContact CE-CG1 3.42Å; M78-V196 VanDerWaalsContact CE-CG1 3.42Å; M78-V196 HydrophobicContact CE-CG2 3.57Å
79V98.7Very high97.3Very high0 Ų062.6 Ų62.60%034%0.342CS..EExtended strand (participates in β ladder)trans-121.8143.3171.2-68.10000110.7E92 P94 E115 T116 V167 E168V79-E92 HydrophobicContact CG2-CB 4.15Å; V79-E92 WeakPolarHBondContact CG2-O 3.44Å; V79-E92 PolarHBondContact N-O 2.62Å; V79-E92 PolarHBondContact O-N 2.83Å; V79-P94 HydrophobicContact CG1-CB 4.31Å; V79-P94 HydrophobicContact CG1-CG 4.08Å; V79-E115 HydrophobicContact CG1-CB 4.28Å; V79-T116 HydrophobicContact CG1-CG2 4.02Å; V79-V167 HydrophobicContact CB-CG1 3.51Å; V79-V167 HydrophobicContact CG1-CG1 3.47Å; V79-V167 VanDerWaalsContact CG1-CG1 3.47Å; V79-V167 HydrophobicContact CG2-CG1 4.49Å; V79-E168 CarbonylContact C-O 3.6Å; V79-E168 WeakPolarHBondContact CA-O 3.45Å
80K98.4Very high97.4Very high31 Ų3159.6 Ų59.614%0.13533%0.331CS..EExtended strand (participates in β ladder)trans-118.7126169.3172.2-178.6165-162.40109.3T90 E168 I170 E188 I190K80-T90 VanDerWaalsContact CA-O 3.23Å; K80-T90 WeakPolarHBondContact CA-O 3.34Å; K80-E168 HydrophobicContact CB-CB 4.27Å; K80-E168 WeakPolarHBondContact CD-OE2 3.23Å; K80-E168 PolarHBondContact N-O 3.2Å; K80-E168 IonicContact NZ-OE2 2.76Å; K80-E168 PolarHBondContact NZ-OE2 2.92Å; K80-E168 PolarHBondContact O-N 2.88Å; K80-I170 HydrophobicContact CB-CD1 3.57Å; K80-I170 HydrophobicContact CB-CG1 4.29Å; K80-I170 HydrophobicContact CD-CD1 3.86Å; K80-I170 HydrophobicContact CG-CD1 4.38Å; K80-E188 IonicContact NZ-OE2 2.96Å; K80-E188 PolarHBondContact NZ-OE2 2.89Å; K80-I190 HydrophobicContact CD-CD1 3.76Å; K80-I190 HydrophobicContact CG-CD1 3.88Å
81Q98Very high97.5Very high24 Ų2453.9 Ų53.911%0.11230%0.296CS..EExtended strand (participates in β ladder)trans-147.5152.3-17755.3178.2-64.600111.5R83 S89 T90 E115 V167Q81-R83 PolarHBondContact O-N 2.87Å; Q81-S89 CarbonylContact O-C 3.43Å; Q81-S89 WeakPolarHBondContact O-CA 3.22Å; Q81-T90 PolarHBondContact N-O 3.13Å; Q81-T90 PolarHBondContact O-N 3.16Å; Q81-T90 PolarHBondContact O-OG1 3.35Å; Q81-E115 PolarHBondContact NE2-OE1 2.89Å; Q81-V167 HydrophobicContact CB-CG2 4.42Å
82F97.6Very high97.7Very high125 Ų12547.7 Ų47.755%0.54826%0.263SS..EExtended strand (participates in β ladder)trans-75122.4172.4-179.8-94.9000109.5P84F82-P84 HydrophobicContact CD1-CG 4.19Å; F82-P84 HydrophobicContact CE1-CB 4.26Å; F82-P84 HydrophobicContact CE1-CG 4.02Å; F82-P84 WeakPolarHBondContact O-CD 3.28Å
83R97.6Very high97.9Very high80 Ų8042.9 Ų42.930%0.30224%0.241SC..EExtended strand (participates in β ladder)trans-104110.4174.4-70.8-66.6-162.7-169.33.4109Q81 P85 M86 G87 G88 T90 E92Q81-R83 PolarHBondContact O-N 2.87Å; R83-P85 VanDerWaalsContact C-CD 3.42Å; R83-P85 VanDerWaalsContact C-N 3.31Å; R83-M86 HydrophobicContact CB-CB 4.12Å; R83-M86 HydrophobicContact CB-CG 4.03Å; R83-M86 PolarHBondContact O-N 3.49Å; R83-G87 PolarHBondContact O-N 3.31Å; R83-G87 VanDerWaalsContact O-N 3.1Å; R83-G88 PolarHBondContact N-O 3.04Å; R83-T90 HydrophobicContact CB-CG2 3.93Å; R83-T90 HydrophobicContact CG-CG2 3.67Å; R83-T90 WeakPolarHBondContact CG-OG1 3.48Å; R83-E92 WeakPolarHBondContact CG-OE1 3.38Å; R83-E92 IonicContact CZ-OE1 3.59Å; R83-E92 IonicContact CZ-OE2 3.47Å; R83-E92 IonicContact NE-OE1 3.02Å; R83-E92 PolarHBondContact NE-OE1 3.26Å; R83-E92 IonicContact NE-OE2 2.67Å; R83-E92 IonicContact NH2-OE1 2.67Å; R83-E92 PolarHBondContact NH2-OE1 3.12Å; R83-E92 IonicContact NH2-OE2 2.75Å; R83-E92 PolarHBondContact NH2-OE2 3.01Å
84P97.4Very high98.1Very high97 Ų9737.9 Ų37.963%0.6322%0.219SC*.G310 helixtrans-51.5-40.9176.9-2532.3000114.2F82 M86 G87F82-P84 HydrophobicContact CD1-CG 4.19Å; F82-P84 HydrophobicContact CE1-CB 4.26Å; F82-P84 HydrophobicContact CE1-CG 4.02Å; F82-P84 WeakPolarHBondContact O-CD 3.28Å; P84-M86 PolarHBondContact O-N 2.92Å; P84-G87 PolarHBondContact O-N 2.98Å; P84-G87 VanDerWaalsContact O-N 3.08Å
85P97Very high98.2Very high121 Ų12136.5 Ų36.579%0.78622%0.215SC*.G310 helixtrans-61-27.3176.3-25.536.1000114.5R83R83-P85 VanDerWaalsContact C-CD 3.42Å; R83-P85 VanDerWaalsContact C-N 3.31Å
86M97.6Very high98.1Very high101 Ų10137 Ų3750%0.49822%0.222SC..G310 helixtrans-92.9-10.5178.4-60.1-50.2-61.300112.9R83 P84 G88 T90 I191R83-M86 HydrophobicContact CB-CB 4.12Å; R83-M86 HydrophobicContact CB-CG 4.03Å; R83-M86 PolarHBondContact O-N 3.49Å; P84-M86 PolarHBondContact O-N 2.92Å; M86-G88 PolarHBondContact O-N 3.28Å; M86-T90 HydrophobicContact CB-CG2 4.35Å; M86-T90 HydrophobicContact CG-CG2 4.05Å; M86-I191 HydrophobicContact CB-CD1 4.28Å; M86-I191 HydrophobicContact CE-CD1 3.4Å; M86-I191 HydrophobicContact CE-CG2 4.26Å
87G97.4Very high98Very high57 Ų5740 Ų4059%0.58824%0.238SC*.THydrogen-bonded Turntrans57.327.1-173.100000113.5R83 P84R83-G87 PolarHBondContact O-N 3.31Å; R83-G87 VanDerWaalsContact O-N 3.1Å; P84-G87 PolarHBondContact O-N 2.98Å; P84-G87 VanDerWaalsContact O-N 3.08Å
88G97.2Very high97.9Very high18 Ų1840.4 Ų40.419%0.18624%0.24CC..EExtended strand (participates in β ladder)trans-167.6174.4-17100000114.3R83 M86R83-G88 PolarHBondContact N-O 3.04Å; M86-G88 PolarHBondContact O-N 3.28Å
89S98Very high97.7Very high38 Ų3844.4 Ų44.427%0.26626%0.261SS..EExtended strand (participates in β ladder)trans-74.1145.2173.7-65.50000111Q81 I191Q81-S89 CarbonylContact O-C 3.43Å; Q81-S89 WeakPolarHBondContact O-CA 3.22Å; S89-I191 PolarHBondContact O-N 2.9Å
90T98.6Very high97.3Very high6 Ų650.4 Ų50.44%0.03729%0.289CS..EExtended strand (participates in β ladder)trans-125.2148.3177.452.30000110.3K80 Q81 R83 M86 E92 I191K80-T90 VanDerWaalsContact CA-O 3.23Å; K80-T90 WeakPolarHBondContact CA-O 3.34Å; Q81-T90 PolarHBondContact N-O 3.13Å; Q81-T90 PolarHBondContact O-N 3.16Å; Q81-T90 PolarHBondContact O-OG1 3.35Å; R83-T90 HydrophobicContact CB-CG2 3.93Å; R83-T90 HydrophobicContact CG-CG2 3.67Å; R83-T90 WeakPolarHBondContact CG-OG1 3.48Å; M86-T90 HydrophobicContact CB-CG2 4.35Å; M86-T90 HydrophobicContact CG-CG2 4.05Å; T90-E92 WeakPolarHBondContact CB-OE1 3.43Å; T90-E92 PolarHBondContact OG1-OE1 3.33Å; T90-I191 CarbonylContact C-O 3.5Å; T90-I191 WeakPolarHBondContact CA-O 3.39Å; T90-I191 HydrophobicContact CG2-CB 4.39Å
91L98.8Very high97Very high0 Ų052.2 Ų52.20%032%0.317CS..EExtended strand (participates in β ladder)trans-105.8117.1169.6-177.369.7000108.5M78 I170 L172 I181 L184 I190 I191 V192 D193M78-L91 HydrophobicContact CB-CD1 3.94Å; M78-L91 HydrophobicContact CE-CG 4.25Å; L91-I170 HydrophobicContact CD1-CD1 4Å; L91-L172 HydrophobicContact CD2-CD1 4.24Å; L91-I181 HydrophobicContact CD2-CG1 4.02Å; L91-I181 HydrophobicContact CD2-CG2 4.42Å; L91-L184 HydrophobicContact CD2-CD1 4.09Å; L91-I190 HydrophobicContact CB-CD1 3.71Å; L91-I190 HydrophobicContact CB-CG1 4.2Å; L91-I191 PolarHBondContact N-O 2.9Å; L91-V192 HydrophobicContact CB-CG2 4.27Å; L91-V192 HydrophobicContact CD2-CG1 4.49Å; L91-V192 HydrophobicContact CD2-CG2 4.35Å; L91-D193 PolarHBondContact O-N 3.32Å
92E98.8Very high96.8Very high23 Ų2352.6 Ų52.611%0.10732%0.319CS..EExtended strand (participates in β ladder)trans-133.9160.1-171.2-47.9-169.9-163.600111.1M78 V79 R83 T90 D193M78-E92 WeakPolarHBondContact CE-O 3.5Å; V79-E92 HydrophobicContact CG2-CB 4.15Å; V79-E92 WeakPolarHBondContact CG2-O 3.44Å; V79-E92 PolarHBondContact N-O 2.62Å; V79-E92 PolarHBondContact O-N 2.83Å; R83-E92 WeakPolarHBondContact CG-OE1 3.38Å; R83-E92 IonicContact CZ-OE1 3.59Å; R83-E92 IonicContact CZ-OE2 3.47Å; R83-E92 IonicContact NE-OE1 3.02Å; R83-E92 PolarHBondContact NE-OE1 3.26Å; R83-E92 IonicContact NE-OE2 2.67Å; R83-E92 IonicContact NH2-OE1 2.67Å; R83-E92 PolarHBondContact NH2-OE1 3.12Å; R83-E92 IonicContact NH2-OE2 2.75Å; R83-E92 PolarHBondContact NH2-OE2 3.01Å; T90-E92 WeakPolarHBondContact CB-OE1 3.43Å; T90-E92 PolarHBondContact OG1-OE1 3.33Å; E92-D193 HydrophobicContact CB-CB 4.36Å; E92-D193 HydrophobicContact CG-CB 4.08Å
93F98.8Very high96.7Very high9 Ų950.6 Ų50.64%0.03932%0.317CS..  trans-66.4149158.1-70.8-53.7000109.2I63 I64 V76 M78 A95 F177 V196 F199I63-F93 WeakPolarHBondContact O-CB 3.46Å; I64-F93 HydrophobicContact CD1-CE2 4.35Å; I64-F93 HydrophobicContact CD1-CZ 4.29Å; I64-F93 HydrophobicContact CG1-CD1 4.32Å; I64-F93 HydrophobicContact CG1-CD2 4.26Å; I64-F93 HydrophobicContact CG1-CE1 4.04Å; I64-F93 HydrophobicContact CG1-CE2 3.96Å; I64-F93 HydrophobicContact CG1-CG 4.43Å; I64-F93 HydrophobicContact CG1-CZ 3.86Å; I64-F93 HydrophobicContact CG2-CE1 4.38Å; V76-F93 HydrophobicContact CG1-CD1 4.39Å; V76-F93 HydrophobicContact CG1-CE1 3.86Å; M78-F93 HydrophobicContact CE-CD1 3.93Å; M78-F93 HydrophobicContact CE-CE1 4.08Å; M78-F93 HydrophobicContact SD-CD1 3.75Å; M78-F93 HydrophobicContact SD-CE1 3.81Å; F93-A95 PolarHBondContact O-N 2.87Å; F93-F177 HydrophobicContact CE1-CZ 4.44Å; F93-V196 HydrophobicContact CD1-CG2 4.31Å; F93-V196 HydrophobicContact CD2-CG2 3.63Å; F93-V196 HydrophobicContact CE1-CG2 4.4Å; F93-V196 HydrophobicContact CE2-CB 4.32Å; F93-V196 HydrophobicContact CE2-CG2 3.76Å; F93-V196 HydrophobicContact CG-CG2 3.92Å; F93-V196 HydrophobicContact CZ-CG2 4.14Å; F93-F199 HydrophobicContact CE1-CD1 4.5Å; F93-F199 HydrophobicContact CE2-CB 4.31Å; F93-F199 HydrophobicContact CZ-CB 3.99Å; F93-F199 AromaticContact CZ-CD1 3.84Å; F93-F199 HydrophobicContact CZ-CD1 3.84Å; F93-F199 AromaticContact CZ-CG 4Å; F93-F199 HydrophobicContact CZ-CG 4Å
94P98.8Very high96.6Very high0 Ų047.2 Ų47.20%031%0.306CS..  trans-52.1138.2167.9-19.827.2000110.3I63 V77 V79 L112 E115 T116I63-P94 HydrophobicContact CB-CB 4.24Å; I63-P94 WeakPolarHBondContact CB-O 3.4Å; I63-P94 HydrophobicContact CD1-CB 3.93Å; I63-P94 PolarHBondContact N-O 2.66Å; I63-P94 WeakPolarHBondContact O-CD 3.07Å; V77-P94 WeakPolarHBondContact O-CD 3.19Å; V79-P94 HydrophobicContact CG1-CB 4.31Å; V79-P94 HydrophobicContact CG1-CG 4.08Å; P94-L112 HydrophobicContact CG-CD1 4.27Å; P94-E115 WeakPolarHBondContact CA-OE2 3.41Å; P94-E115 WeakPolarHBondContact CB-OE2 3.11Å; P94-T116 HydrophobicContact CB-CG2 4.15Å; P94-T116 HydrophobicContact CG-CG2 3.74Å
95A98.4Very high96.7Very high28 Ų2844 Ų4423%0.23129%0.288CS..EExtended strand (participates in β ladder)trans-164149.5-172.900000112.7V61 F93 E115V61-A95 WeakPolarHBondContact O-CA 3.24Å; V61-A95 VanDerWaalsContact O-CB 3.31Å; V61-A95 WeakPolarHBondContact O-CB 3.41Å; F93-A95 PolarHBondContact O-N 2.87Å; A95-E115 PolarHBondContact N-OE2 2.92Å
96G96.9Very high96.7Very high20 Ų2042.1 Ų42.121%0.20627%0.274CS..EExtended strand (participates in β ladder)trans-163.1-173.6171.700000113.5G60 V61 E111G60-G96 CarbonylContact C-O 3.58Å; G60-G96 WeakPolarHBondContact CA-O 3.49Å; V61-G96 PolarHBondContact N-O 3.1Å; V61-G96 PolarHBondContact O-N 3.49Å; V61-G96 VanDerWaalsContact O-N 3.11Å; G96-E111 VanDerWaalsContact CA-CD 3.44Å; G96-E111 WeakPolarHBondContact CA-OE1 3.46Å
97L96.8Very high96.7Very high62 Ų6237.3 Ų37.333%0.32525%0.25SS..EExtended strand (participates in β ladder)trans-83149.6-177.3-63.1-180000110.3D59 R110 E111D59-L97 HydrophobicContact CB-CD2 4.49Å; D59-L97 WeakPolarHBondContact O-CA 3.33Å; D59-L97 WeakPolarHBondContact O-CD2 3.41Å; L97-R110 PolarHBondContact O-NH2 2.83Å; L97-E111 PolarHBondContact N-OE1 3.17Å
98I96.3Very high96.8Very high9 Ų934.6 Ų34.65%0.04622%0.222CC..PPolyproline II helixtrans-84125.3173.9-62.1169.8000108.1T56 A58 D59 V61 E102 A104 A107T56-I98 HydrophobicContact CG2-CB 4.22Å; T56-I98 HydrophobicContact CG2-CG2 3.68Å; A58-I98 HydrophobicContact CB-CD1 4.24Å; D59-I98 PolarHBondContact O-N 2.85Å; D59-I98 VanDerWaalsContact O-N 3.1Å; V61-I98 HydrophobicContact CB-CG1 4.41Å; I98-E102 HydrophobicContact CG2-CB 4.04Å; I98-E102 WeakPolarHBondContact CG2-O 3.23Å; I98-A104 HydrophobicContact CD1-CB 4.03Å; I98-A107 HydrophobicContact CB-CB 4.47Å; I98-A107 HydrophobicContact CG1-CB 3.94Å; I98-A107 HydrophobicContact CG2-CB 4.47Å
99D94.2Very high96.9Very high84 Ų8436.9 Ų36.945%0.44923%0.23SC..PPolyproline II helixtrans-77.1161.6177.6-81.4-26.3000112.4G101 E102 R110D99-G101 PolarHBondContact O-N 2.77Å; D99-E102 HydrophobicContact CB-CB 4.24Å; D99-E102 PolarHBondContact N-OE2 3.12Å; D99-E102 VanDerWaalsContact O-CB 3.26Å; D99-E102 WeakPolarHBondContact O-CB 3.35Å; D99-E102 PolarHBondContact O-N 2.85Å; D99-R110 IonicContact OD2-CZ 3.88Å; D99-R110 IonicContact OD2-NE 3.52Å; D99-R110 IonicContact OD2-NH2 2.99Å
100E91.9Very high96.9Very high125 Ų12537.5 Ų37.558%0.58423%0.226SC*.THydrogen-bonded Turntrans-62.9125.3-179.3-173.8172.3-176.700111.4R53 E102R53-E100 HydrophobicContact CG-CB 4.38Å; E100-E102 PolarHBondContact O-N 3.03Å
101G90.1Very high96.9Very high70 Ų7038 Ų3872%0.72223%0.228SC*.THydrogen-bonded Turntrans81.9-1.9-177.400000114.3D99D99-G101 PolarHBondContact O-N 2.77Å
102E93.8Very high96.9Very high31 Ų3138 Ų3815%0.14523%0.228CC..  trans-85.1141.9177.3-161.4176.4-142.500111.2I98 D99 E100 V106 A107 R110I98-E102 HydrophobicContact CG2-CB 4.04Å; I98-E102 WeakPolarHBondContact CG2-O 3.23Å; D99-E102 HydrophobicContact CB-CB 4.24Å; D99-E102 PolarHBondContact N-OE2 3.12Å; D99-E102 VanDerWaalsContact O-CB 3.26Å; D99-E102 WeakPolarHBondContact O-CB 3.35Å; D99-E102 PolarHBondContact O-N 2.85Å; E100-E102 PolarHBondContact O-N 3.03Å; E102-V106 HydrophobicContact CG-CB 3.69Å; E102-V106 HydrophobicContact CG-CG1 3.66Å; E102-V106 WeakPolarHBondContact OE1-CG1 3.41Å; E102-A107 VanDerWaalsContact CD-CB 3.49Å; E102-A107 VanDerWaalsContact CD-N 3.29Å; E102-A107 HydrophobicContact CG-CB 4.05Å; E102-A107 VanDerWaalsContact OE1-CA 3.24Å; E102-A107 WeakPolarHBondContact OE1-CA 3.22Å; E102-A107 PolarHBondContact OE1-N 2.81Å; E102-A107 WeakPolarHBondContact OE2-CA 3.15Å; E102-A107 WeakPolarHBondContact OE2-CB 3.14Å; E102-R110 IonicContact OE1-CZ 2.66Å; E102-R110 IonicContact OE1-NE 3.51Å; E102-R110 PolarHBondContact OE1-NE 2.82Å; E102-R110 IonicContact OE1-NH2 3.37Å; E102-R110 IonicContact OE2-CZ 2.62Å; E102-R110 IonicContact OE2-NE 2.73Å; E102-R110 PolarHBondContact OE2-NE 2.73Å; E102-R110 IonicContact OE2-NH2 3.04Å; E102-R110 PolarHBondContact OE2-NH2 3.36Å
103T95.9Very high96.9Very high84 Ų8438.9 Ų38.952%0.51523%0.232SC..  trans-86.2155.4167.568.20000109.6A105 V106 A107T103-A105 PolarHBondContact O-N 2.86Å; T103-A105 VanDerWaalsContact O-N 3.11Å; T103-V106 PolarHBondContact O-N 3.36Å; T103-V106 WeakPolarHBondContact OG1-CG2 3.39Å; T103-V106 PolarHBondContact OG1-N 3.11Å; T103-A107 PolarHBondContact O-N 2.89Å
104A97Very high96.9Very high8 Ų841 Ų417%0.06624%0.242CC..Hα-helixtrans-55.5-32.4176.200000113.4V61 I98 A108 V125 Q141V61-A104 HydrophobicContact CG2-CB 4.43Å; I98-A104 HydrophobicContact CD1-CB 4.03Å; A104-A108 VanDerWaalsContact O-CB 3.28Å; A104-A108 WeakPolarHBondContact O-CB 3.07Å; A104-A108 PolarHBondContact O-N 2.87Å; A104-V125 HydrophobicContact CB-CG1 3.91Å; A104-Q141 HydrophobicContact CB-CB 3.94Å; A104-Q141 HydrophobicContact CB-CG 4.41Å
105A98.1Very high96.8Very high30 Ų3041.3 Ų41.325%0.24824%0.243CC..Hα-helixtrans-67.2-41.1175.700000112.6T103 A108 L109 V122 V125T103-A105 PolarHBondContact O-N 2.86Å; T103-A105 VanDerWaalsContact O-N 3.11Å; A105-A108 PolarHBondContact O-N 3.39Å; A105-L109 WeakPolarHBondContact O-CG 3.48Å; A105-L109 PolarHBondContact O-N 3Å; A105-V122 HydrophobicContact CB-CB 4.45Å; A105-V122 HydrophobicContact CB-CG1 4.18Å; A105-V122 HydrophobicContact CB-CG2 4.09Å; A105-V125 HydrophobicContact CB-CG2 4.15Å
106V98Very high96.8Very high82 Ų8240 Ų4050%0.49723%0.233SC..Hα-helixtrans-69.1-44.6177.6177.40000110E102 T103 A108 L109 R110E102-V106 HydrophobicContact CG-CB 3.69Å; E102-V106 HydrophobicContact CG-CG1 3.66Å; E102-V106 WeakPolarHBondContact OE1-CG1 3.41Å; T103-V106 PolarHBondContact O-N 3.36Å; T103-V106 WeakPolarHBondContact OG1-CG2 3.39Å; T103-V106 PolarHBondContact OG1-N 3.11Å; V106-A108 VanDerWaalsContact C-N 3.3Å; V106-A108 PolarHBondContact O-N 2.97Å; V106-L109 PolarHBondContact O-N 3.21Å; V106-R110 PolarHBondContact O-N 2.73Å
107A98.2Very high96.9Very high0 Ų039.1 Ų39.10%022%0.223CC..Hα-helixtrans-56-45.5174.300000111.5V61 I98 E102 T103 L109 R110 E111V61-A107 HydrophobicContact CB-CB 4.45Å; V61-A107 HydrophobicContact CG1-CB 3.72Å; I98-A107 HydrophobicContact CB-CB 4.47Å; I98-A107 HydrophobicContact CG1-CB 3.94Å; I98-A107 HydrophobicContact CG2-CB 4.47Å; E102-A107 VanDerWaalsContact CD-CB 3.49Å; E102-A107 VanDerWaalsContact CD-N 3.29Å; E102-A107 HydrophobicContact CG-CB 4.05Å; E102-A107 VanDerWaalsContact OE1-CA 3.24Å; E102-A107 WeakPolarHBondContact OE1-CA 3.22Å; E102-A107 PolarHBondContact OE1-N 2.81Å; E102-A107 WeakPolarHBondContact OE2-CA 3.15Å; E102-A107 WeakPolarHBondContact OE2-CB 3.14Å; T103-A107 PolarHBondContact O-N 2.89Å; A107-L109 VanDerWaalsContact C-N 3.31Å; A107-L109 PolarHBondContact O-N 2.82Å; A107-R110 PolarHBondContact O-N 3.37Å; A107-E111 WeakPolarHBondContact O-CB 3.47Å; A107-E111 VanDerWaalsContact O-CG 3.24Å; A107-E111 WeakPolarHBondContact O-CG 3.43Å; A107-E111 PolarHBondContact O-N 2.77Å
108A98.6Very high97Very high0 Ų037.1 Ų37.10%021%0.211CC..Hα-helixtrans-58.4-41.9179.600000112.8V61 I63 A104 A105 V106 L112 A143V61-A108 HydrophobicContact CG1-CB 4.44Å; V61-A108 HydrophobicContact CG2-CB 3.93Å; I63-A108 WeakPolarHBondContact CD1-O 3.19Å; I63-A108 HydrophobicContact CG1-CB 3.89Å; A104-A108 VanDerWaalsContact O-CB 3.28Å; A104-A108 WeakPolarHBondContact O-CB 3.07Å; A104-A108 PolarHBondContact O-N 2.87Å; A105-A108 PolarHBondContact O-N 3.39Å; V106-A108 VanDerWaalsContact C-N 3.3Å; V106-A108 PolarHBondContact O-N 2.97Å; A108-L112 WeakPolarHBondContact O-CB 3.31Å; A108-L112 PolarHBondContact O-N 2.82Å; A108-A143 HydrophobicContact CB-CB 3.4Å
109L98.7Very high97.1Very high65 Ų6540.9 Ų40.934%0.3423%0.227SC..Hα-helixtrans-73.5-37.4-179.8-65.9179.6000112.1A105 V106 A107 K113 G120 V122 V145A105-L109 WeakPolarHBondContact O-CG 3.48Å; A105-L109 PolarHBondContact O-N 3Å; V106-L109 PolarHBondContact O-N 3.21Å; A107-L109 VanDerWaalsContact C-N 3.31Å; A107-L109 PolarHBondContact O-N 2.82Å; L109-K113 WeakPolarHBondContact O-CB 3.42Å; L109-K113 PolarHBondContact O-N 3.43Å; L109-K113 VanDerWaalsContact O-N 3.12Å; L109-G120 VanDerWaalsContact CD2-O 3.22Å; L109-G120 WeakPolarHBondContact CD2-O 3.29Å; L109-V122 HydrophobicContact CD1-CG2 4.18Å; L109-V122 HydrophobicContact CD2-CG2 3.88Å; L109-V122 HydrophobicContact CG-CG2 3.82Å; L109-V145 HydrophobicContact CD2-CG1 4.1Å; L109-V145 HydrophobicContact CD2-CG2 4.4Å
110R98.5Very high97.3Very high52 Ų5238.1 Ų38.120%0.19622%0.219CC..Hα-helixtrans-63.3-57174.9176.5-179.854.772-0.8110.8L97 D99 E102 V106 A107 L112 K113 E114L97-R110 PolarHBondContact O-NH2 2.83Å; D99-R110 IonicContact OD2-CZ 3.88Å; D99-R110 IonicContact OD2-NE 3.52Å; D99-R110 IonicContact OD2-NH2 2.99Å; E102-R110 IonicContact OE1-CZ 2.66Å; E102-R110 IonicContact OE1-NE 3.51Å; E102-R110 PolarHBondContact OE1-NE 2.82Å; E102-R110 IonicContact OE1-NH2 3.37Å; E102-R110 IonicContact OE2-CZ 2.62Å; E102-R110 IonicContact OE2-NE 2.73Å; E102-R110 PolarHBondContact OE2-NE 2.73Å; E102-R110 IonicContact OE2-NH2 3.04Å; E102-R110 PolarHBondContact OE2-NH2 3.36Å; V106-R110 PolarHBondContact O-N 2.73Å; A107-R110 PolarHBondContact O-N 3.37Å; R110-L112 VanDerWaalsContact C-N 3.32Å; R110-L112 PolarHBondContact O-N 2.86Å; R110-K113 WeakPolarHBondContact O-CA 3.41Å; R110-K113 WeakPolarHBondContact O-CB 3.47Å; R110-K113 PolarHBondContact O-N 2.79Å; R110-E114 WeakPolarHBondContact CD-OE1 3.37Å; R110-E114 HydrophobicContact CG-CG 4.35Å; R110-E114 WeakPolarHBondContact CG-OE1 3.41Å; R110-E114 IonicContact NH1-OE1 3.18Å; R110-E114 IonicContact NH1-OE2 2.77Å; R110-E114 PolarHBondContact NH1-OE2 2.88Å; R110-E114 WeakPolarHBondContact O-CG 3.39Å; R110-E114 PolarHBondContact O-N 3.44Å
111E98.6Very high97.6Very high16 Ų1639.2 Ų39.28%0.07522%0.224CC..Hα-helixtrans-61.1-39.5-179-66.9-70.4178.300111.6V61 I63 G96 L97 A107 K113 E114 E115V61-E111 HydrophobicContact CG1-CG 4.45Å; I63-E111 HydrophobicContact CD1-CB 3.82Å; G96-E111 VanDerWaalsContact CA-CD 3.44Å; G96-E111 WeakPolarHBondContact CA-OE1 3.46Å; L97-E111 PolarHBondContact N-OE1 3.17Å; A107-E111 WeakPolarHBondContact O-CB 3.47Å; A107-E111 VanDerWaalsContact O-CG 3.24Å; A107-E111 WeakPolarHBondContact O-CG 3.43Å; A107-E111 PolarHBondContact O-N 2.77Å; E111-K113 VanDerWaalsContact C-N 3.31Å; E111-K113 PolarHBondContact O-N 3.37Å; E111-E114 PolarHBondContact O-N 2.92Å; E111-E115 WeakPolarHBondContact O-CB 3.49Å; E111-E115 PolarHBondContact O-N 2.89Å
112L98.8Very high98Very high0 Ų037.6 Ų37.60%020%0.2CC..Hα-helixtrans-58.6-44.4172.9179.165000111.3I63 A65 P94 A108 R110 T116 G117 V145 I147I63-L112 HydrophobicContact CD1-CB 4.08Å; I63-L112 HydrophobicContact CG2-CB 4.49Å; I63-L112 HydrophobicContact CG2-CD1 4.29Å; A65-L112 HydrophobicContact CB-CD1 3.75Å; A65-L112 HydrophobicContact CB-CD2 4.46Å; P94-L112 HydrophobicContact CG-CD1 4.27Å; A108-L112 WeakPolarHBondContact O-CB 3.31Å; A108-L112 PolarHBondContact O-N 2.82Å; R110-L112 VanDerWaalsContact C-N 3.32Å; R110-L112 PolarHBondContact O-N 2.86Å; L112-T116 HydrophobicContact CD1-CG2 4.04Å; L112-T116 WeakPolarHBondContact CD1-OG1 3.5Å; L112-T116 WeakPolarHBondContact O-CA 3.44Å; L112-T116 WeakPolarHBondContact O-CB 3.28Å; L112-T116 PolarHBondContact O-N 2.85Å; L112-T116 PolarHBondContact O-OG1 2.83Å; L112-G117 PolarHBondContact O-N 2.94Å; L112-V145 HydrophobicContact CD2-CB 4.39Å; L112-V145 HydrophobicContact CD2-CG1 3.71Å; L112-I147 HydrophobicContact CD1-CD1 4.36Å; L112-I147 HydrophobicContact CD2-CD1 4.07Å; L112-I147 HydrophobicContact CD2-CG1 4.19Å
113K98.4Very high98.2Very high41 Ų4140.1 Ų40.118%0.17822%0.217CC..Hα-helixtrans-68.8-42.3-180-179.161.4-176.4-179.80111.6L109 R110 E111 G117 Y118 K119L109-K113 WeakPolarHBondContact O-CB 3.42Å; L109-K113 PolarHBondContact O-N 3.43Å; L109-K113 VanDerWaalsContact O-N 3.12Å; R110-K113 WeakPolarHBondContact O-CA 3.41Å; R110-K113 WeakPolarHBondContact O-CB 3.47Å; R110-K113 PolarHBondContact O-N 2.79Å; E111-K113 VanDerWaalsContact C-N 3.31Å; E111-K113 PolarHBondContact O-N 3.37Å; K113-G117 WeakPolarHBondContact CD-O 3.33Å; K113-G117 PolarHBondContact NZ-O 2.95Å; K113-G117 WeakPolarHBondContact O-CA 3.13Å; K113-G117 PolarHBondContact O-N 3.46Å; K113-Y118 WeakPolarHBondContact CA-O 3.46Å; K113-K119 HydrophobicContact CD-CG 4.05Å
114E98.3Very high98.3Very high53 Ų5337.7 Ų37.725%0.24821%0.209CC..Hα-helixtrans-63.2-56178.8-72.7169.7175.800110.7R110 E111 Q159 Q160R110-E114 WeakPolarHBondContact CD-OE1 3.37Å; R110-E114 HydrophobicContact CG-CG 4.35Å; R110-E114 WeakPolarHBondContact CG-OE1 3.41Å; R110-E114 IonicContact NH1-OE1 3.18Å; R110-E114 IonicContact NH1-OE2 2.77Å; R110-E114 PolarHBondContact NH1-OE2 2.88Å; R110-E114 WeakPolarHBondContact O-CG 3.39Å; R110-E114 PolarHBondContact O-N 3.44Å; E111-E114 PolarHBondContact O-N 2.92Å; E114-Q159 CarbonylContact O-C 3.59Å; E114-Q159 WeakPolarHBondContact O-CA 3.44Å; E114-Q159 WeakPolarHBondContact O-CB 3.43Å; E114-Q160 HydrophobicContact CG-CB 4.49Å; E114-Q160 CarbonylContact O-C 3.59Å; E114-Q160 PolarHBondContact O-N 2.92Å
115E98.4Very high98.4Very high7 Ų739.9 Ų39.93%0.03322%0.222CC..Hα-helixtrans-77-26.1-174.4-69.7-162.8131.700114.1V79 Q81 P94 A95 E111 Q159 V167V79-E115 HydrophobicContact CG1-CB 4.28Å; Q81-E115 PolarHBondContact NE2-OE1 2.89Å; P94-E115 WeakPolarHBondContact CA-OE2 3.41Å; P94-E115 WeakPolarHBondContact CB-OE2 3.11Å; A95-E115 PolarHBondContact N-OE2 2.92Å; E111-E115 WeakPolarHBondContact O-CB 3.49Å; E111-E115 PolarHBondContact O-N 2.89Å; E115-Q159 WeakPolarHBondContact O-CG 3.33Å; E115-Q159 PolarHBondContact O-NE2 2.87Å; E115-V167 HydrophobicContact CB-CG1 4.48Å
116T98.6Very high98.4Very high2 Ų240.8 Ų40.81%0.01222%0.224CC..Hα-helixtrans-126.6-16.6-171.580.20000114.8V77 V79 P94 L112 Y118 V169V77-T116 HydrophobicContact CG1-CG2 3.78Å; V79-T116 HydrophobicContact CG1-CG2 4.02Å; P94-T116 HydrophobicContact CB-CG2 4.15Å; P94-T116 HydrophobicContact CG-CG2 3.74Å; L112-T116 HydrophobicContact CD1-CG2 4.04Å; L112-T116 WeakPolarHBondContact CD1-OG1 3.5Å; L112-T116 WeakPolarHBondContact O-CA 3.44Å; L112-T116 WeakPolarHBondContact O-CB 3.28Å; L112-T116 PolarHBondContact O-N 2.85Å; L112-T116 PolarHBondContact O-OG1 2.83Å; T116-Y118 PolarHBondContact O-N 2.89Å; T116-Y118 WeakPolarHBondContact OG1-CD2 3.43Å; T116-Y118 PolarHBondContact OG1-N 3.32Å; T116-V169 HydrophobicContact CG2-CG2 4.36Å
117G98.4Very high98.4Very high0 Ų042 Ų420%023%0.233CC..  trans76.9-7.2-174.300000115L112 K113 P157 T158L112-G117 PolarHBondContact O-N 2.94Å; K113-G117 WeakPolarHBondContact CD-O 3.33Å; K113-G117 PolarHBondContact NZ-O 2.95Å; K113-G117 WeakPolarHBondContact O-CA 3.13Å; K113-G117 PolarHBondContact O-N 3.46Å; G117-P157 VanDerWaalsContact C-CB 3.41Å; G117-P157 WeakPolarHBondContact O-CB 3.18Å; G117-T158 WeakPolarHBondContact CA-O 3.46Å
118Y98.8Very high98.4Very high20 Ų2045 Ų458%0.07825%0.251CS..  trans-77.4151.8178.3-73.4-71.7000112.6L67 V77 K113 T116 I147 N154 P157 L171L67-Y118 HydrophobicContact CD1-CD1 4.41Å; L67-Y118 HydrophobicContact CD1-CE1 3.94Å; L67-Y118 HydrophobicContact CD2-CE1 4.41Å; V77-Y118 HydrophobicContact CG1-CD2 3.98Å; V77-Y118 HydrophobicContact CG1-CE2 4.11Å; V77-Y118 HydrophobicContact CG2-CD2 4.11Å; V77-Y118 HydrophobicContact CG2-CE2 4.13Å; K113-Y118 WeakPolarHBondContact CA-O 3.46Å; T116-Y118 PolarHBondContact O-N 2.89Å; T116-Y118 WeakPolarHBondContact OG1-CD2 3.43Å; T116-Y118 PolarHBondContact OG1-N 3.32Å; Y118-I147 HydrophobicContact CD1-CG2 3.74Å; Y118-I147 HydrophobicContact CD2-CD1 4.4Å; Y118-I147 HydrophobicContact CE1-CG2 4.44Å; Y118-I147 HydrophobicContact CG-CD1 3.99Å; Y118-I147 HydrophobicContact CG-CG2 4.22Å; Y118-N154 HydrophobicContact CD1-CB 3.98Å; Y118-N154 HydrophobicContact CE1-CB 4.29Å; Y118-P157 HydrophobicContact CD1-CB 4.05Å; Y118-P157 HydrophobicContact CD1-CG 4.17Å; Y118-P157 HydrophobicContact CD2-CB 4.42Å; Y118-P157 HydrophobicContact CD2-CG 4.44Å; Y118-P157 HydrophobicContact CE1-CB 4.14Å; Y118-P157 HydrophobicContact CE1-CG 3.74Å; Y118-P157 HydrophobicContact CE2-CB 4.49Å; Y118-P157 HydrophobicContact CE2-CG 4.02Å; Y118-P157 HydrophobicContact CG-CB 4.2Å; Y118-L171 HydrophobicContact CE2-CD2 4.22Å
119K98.5Very high98.3Very high89 Ų8947.6 Ų47.639%0.38727%0.267SS..  trans-112.9139.2166.7-66.7-175.7174.7-172.50109.5K113 E153 N154K113-K119 HydrophobicContact CD-CG 4.05Å; K119-E153 HydrophobicContact CD-CB 4.28Å; K119-E153 WeakPolarHBondContact CD-OE2 3.33Å; K119-E153 WeakPolarHBondContact CE-OE1 3.37Å; K119-E153 IonicContact NZ-OE1 3.45Å; K119-E153 PolarHBondContact NZ-OE1 3.34Å; K119-E153 IonicContact NZ-OE2 3.58Å; K119-E153 PolarHBondContact NZ-OE2 3.19Å; K119-N154 PolarHBondContact N-OD1 2.9Å; K119-N154 PolarHBondContact O-ND2 3.11Å; K119-N154 PolarHBondContact O-OD1 3.32Å
120G98.1Very high98.3Very high26 Ų2648 Ų4827%0.26828%0.275SS..  trans-147.6-174.7178.900000112.8L109 N146L109-G120 VanDerWaalsContact CD2-O 3.22Å; L109-G120 WeakPolarHBondContact CD2-O 3.29Å; G120-N146 CarbonylContact C-O 3.53Å; G120-N146 WeakPolarHBondContact CA-O 3.5Å
121E98.5Very high98.2Very high147 Ų14749.3 Ų49.369%0.68729%0.286SS*.EExtended strand (participates in β ladder)trans-120.8130.1177.7-175.1-176.8178.800109.6V123 V145 N146E121-V123 PolarHBondContact O-N 2.82Å; E121-V145 CarbonylContact O-C 3.55Å; E121-V145 WeakPolarHBondContact O-CA 3.47Å; E121-N146 PolarHBondContact N-O 2.84Å; E121-N146 PolarHBondContact O-N 2.9Å
122V98.6Very high98.2Very high36 Ų3652.2 Ų52.222%0.21830%0.302CS..EExtended strand (participates in β ladder)trans-71.1122.2176.3177.60000109.3A105 L109 V125 V145A105-V122 HydrophobicContact CB-CB 4.45Å; A105-V122 HydrophobicContact CB-CG1 4.18Å; A105-V122 HydrophobicContact CB-CG2 4.09Å; L109-V122 HydrophobicContact CD1-CG2 4.18Å; L109-V122 HydrophobicContact CD2-CG2 3.88Å; L109-V122 HydrophobicContact CG-CG2 3.82Å; V122-V125 HydrophobicContact CG1-CG2 3.69Å; V122-V145 HydrophobicContact CG2-CG2 4.1Å
123V97.9Very high98.1Very high84 Ų8456.8 Ų56.851%0.50933%0.331SS..EExtended strand (participates in β ladder)trans-89.2-34.3177.2-177.20000110.9E121 L144 N146E121-V123 PolarHBondContact O-N 2.82Å; V123-L144 HydrophobicContact CB-CB 4.36Å; V123-L144 HydrophobicContact CB-CD2 4.09Å; V123-L144 HydrophobicContact CB-CG 4.08Å; V123-L144 HydrophobicContact CG1-CD2 4.1Å; V123-L144 HydrophobicContact CG2-CG 4.37Å; V123-L144 PolarHBondContact N-O 3.42Å; V123-N146 HydrophobicContact CG2-CB 4.1Å; V123-N146 WeakPolarHBondContact CG2-ND2 3.47Å
124G97.9Very high98.1Very high34 Ų3456.8 Ų56.835%0.35134%0.343SS..EExtended strand (participates in β ladder)trans-174.8158.8-178.900000111.4A143 L144G124-A143 WeakPolarHBondContact O-CA 3.42Å; G124-L144 PolarHBondContact O-N 3.22Å
125V98.4Very high98.1Very high54 Ų5458.8 Ų58.833%0.32736%0.355SS..EExtended strand (participates in β ladder)trans-130.9135.4179.1-172.80000108.1A104 A105 V122 Q141 I142 A143A104-V125 HydrophobicContact CB-CG1 3.91Å; A105-V125 HydrophobicContact CB-CG2 4.15Å; V122-V125 HydrophobicContact CG1-CG2 3.69Å; V125-Q141 HydrophobicContact CG1-CB 3.85Å; V125-Q141 HydrophobicContact CG1-CG 4.49Å; V125-I142 WeakPolarHBondContact CA-O 3.44Å; V125-A143 HydrophobicContact CG2-CB 4.29Å
126T98.3Very high98.1Very high48 Ų4859.5 Ų59.529%0.29436%0.36SS..PPolyproline II helixtrans-67.1161.5174.866.20000111.1Q141 I142T126-Q141 PolarHBondContact O-NE2 3.1Å; T126-I142 HydrophobicContact CG2-CB 3.9Å; T126-I142 PolarHBondContact N-O 2.94Å; T126-I142 PolarHBondContact OG1-N 3.25Å
127P98Very high98Very high107 Ų10762 Ų6270%0.69537%0.374SS*.PPolyproline II helixtrans-55.3170.8155.6-20.833.2000111.4T129P127-T129 PolarHBondContact O-N 3.31Å
128V97.7Very high98Very high63 Ų6362.8 Ų62.838%0.38238%0.379SS..PPolyproline II helixtrans-61.1124171.6-178.20000109.9E57 A58 T139 Q141E57-V128 HydrophobicContact CB-CG2 3.83Å; E57-V128 WeakPolarHBondContact O-CG2 3.37Å; A58-V128 HydrophobicContact CB-CG1 4.24Å; A58-V128 HydrophobicContact CB-CG2 4.46Å; V128-T139 VanDerWaalsContact CG1-CB 3.49Å; V128-T139 HydrophobicContact CG1-CG2 3.72Å; V128-Q141 HydrophobicContact CG2-CG 4.21Å
129T98Very high97.9Very high55 Ų5562.8 Ų62.834%0.33738%0.381SS..EExtended strand (participates in β ladder)trans-117.5151.9177.663.40000110.5P127 T139 T140P127-T129 PolarHBondContact O-N 3.31Å; T129-T139 CarbonylContact O-C 3.56Å; T129-T139 WeakPolarHBondContact O-CA 3.39Å; T129-T139 WeakPolarHBondContact O-CB 3.4Å; T129-T140 PolarHBondContact N-O 3Å; T129-T140 PolarHBondContact O-N 2.75Å; T129-T140 PolarHBondContact OG1-O 2.85Å
130C97.7Very high97.9Very high75 Ų7559 Ų5951%0.50737%0.366SS..EExtended strand (participates in β ladder)trans-88.1147.7175.653.50000111.5P133C130-P133 HydrophobicContact CB-CB 4.08Å; C130-P133 HydrophobicContact CB-CG 4.41Å
131L97.1Very high97.9Very high79 Ų7958.6 Ų58.641%0.41436%0.357SS..SBendtrans-88.2-51.2176.9-73.4173.9000112.3C138 T140 K195L131-C138 HydrophobicContact CB-CB 4.41Å; L131-C138 HydrophobicContact CD1-CB 4.06Å; L131-C138 PolarHBondContact N-O 2.71Å; L131-T140 HydrophobicContact CD2-CG2 3.6Å; L131-T140 HydrophobicContact CG-CG2 4.08Å; L131-K195 HydrophobicContact CD2-CD 4.18Å
132D97.8Very high97.9Very high77 Ų7752.7 Ų52.741%0.41233%0.33SS..  trans-145.681.8177.5-175-0.2000109.6G134 L135 S136D132-G134 PolarHBondContact O-N 3.49Å; D132-L135 PolarHBondContact O-N 3Å; D132-L135 WeakPolarHBondContact OD2-CB 3.08Å; D132-S136 PolarHBondContact O-N 3.41Å; D132-S136 VanDerWaalsContact O-O 3.14Å; D132-S136 PolarHBondContact O-OG 2.93Å
133P97.5Very high97.9Very high95 Ų9551 Ų5162%0.61732%0.319SS*.THydrogen-bonded Turntrans-70.1-12-171.529.2-36.5000114C130C130-P133 HydrophobicContact CB-CB 4.08Å; C130-P133 HydrophobicContact CB-CG 4.41Å
134G97.7Very high98Very high41 Ų4150 Ų5042%0.42331%0.311SS..THydrogen-bonded Turntrans-81.5-18.3174.700000113.4W44 D132W44-G134 PolarHBondContact NE1-O 2.61Å; D132-G134 PolarHBondContact O-N 3.49Å
135L98.3Very high98Very high95 Ų9548.4 Ų48.450%0.49729%0.294SS..THydrogen-bonded Turntrans-120.3-42.3-175.8177.861.8000112.6T46 A47 D132T46-L135 WeakPolarHBondContact CA-O 3.33Å; A47-L135 HydrophobicContact CB-CG 4.48Å; A47-L135 PolarHBondContact N-O 2.95Å; D132-L135 PolarHBondContact O-N 3Å; D132-L135 WeakPolarHBondContact OD2-CB 3.08Å
136S98.2Very high98Very high22 Ų2248.1 Ų48.115%0.15429%0.291CS..BIsolated β-bridgetrans-131.5159.1-167.478.50000113.7A47 D132 C138A47-S136 WeakPolarHBondContact O-CA 3.37Å; A47-S136 WeakPolarHBondContact O-CB 3.33Å; D132-S136 PolarHBondContact O-N 3.41Å; D132-S136 VanDerWaalsContact O-O 3.14Å; D132-S136 PolarHBondContact O-OG 2.93Å; S136-C138 PolarHBondContact O-N 2.92Å; S136-C138 WeakPolarHBondContact OG-CB 3.41Å; S136-C138 PolarHBondContact OG-N 2.7Å
137N97.2Very high98Very high55 Ų5546 Ų4629%0.29428%0.278SS..  trans-83.85.1168.681.6-25.1000113A47 K48 R52 T139A47-N137 PolarHBondContact O-N 2.85Å; A47-N137 VanDerWaalsContact O-N 3.15Å; K48-N137 WeakPolarHBondContact CA-OD1 3.47Å; K48-N137 WeakPolarHBondContact CB-OD1 3.37Å; K48-N137 HydrophobicContact CD-CB 4.41Å; K48-N137 HydrophobicContact CG-CB 4.13Å; K48-N137 VanDerWaalsContact CG-CG 3.49Å; K48-N137 WeakPolarHBondContact CG-OD1 3.46Å; R52-N137 PolarHBondContact NH2-O 2.78Å; N137-T139 PolarHBondContact O-N 3.45Å
138C97.8Very high98.1Very high16 Ų1644.9 Ų44.911%0.10827%0.266CS..  trans-65.2132.6-170.4-60.90000111.6D59 L131 S136D59-C138 WeakPolarHBondContact OD2-CA 3.25Å; L131-C138 HydrophobicContact CB-CB 4.41Å; L131-C138 HydrophobicContact CD1-CB 4.06Å; L131-C138 PolarHBondContact N-O 2.71Å; S136-C138 PolarHBondContact O-N 2.92Å; S136-C138 WeakPolarHBondContact OG-CB 3.41Å; S136-C138 PolarHBondContact OG-N 2.7Å
139T97.8Very high98.1Very high21 Ų2142.3 Ų42.313%0.12925%0.252CS..EExtended strand (participates in β ladder)trans-126.7152.7-179.557.70000112R52 A58 D59 V128 T129 N137R52-T139 PolarHBondContact NH2-OG1 2.83Å; A58-T139 WeakPolarHBondContact CA-OG1 3.38Å; D59-T139 WeakPolarHBondContact CB-O 3.22Å; D59-T139 PolarHBondContact N-O 3.07Å; D59-T139 VanDerWaalsContact N-O 3.15Å; D59-T139 PolarHBondContact OD2-N 2.99Å; V128-T139 VanDerWaalsContact CG1-CB 3.49Å; V128-T139 HydrophobicContact CG1-CG2 3.72Å; T129-T139 CarbonylContact O-C 3.56Å; T129-T139 WeakPolarHBondContact O-CA 3.39Å; T129-T139 WeakPolarHBondContact O-CB 3.4Å; N137-T139 PolarHBondContact O-N 3.45Å
140T97.8Very high98Very high9 Ų943.4 Ų43.46%0.05526%0.256CS..EExtended strand (participates in β ladder)trans-139.1152.2174.2-168.90000110.9G60 G62 T129 L131 I142G60-T140 WeakPolarHBondContact O-CA 3.17Å; G60-T140 PolarHBondContact O-OG1 3.48Å; G62-T140 PolarHBondContact N-OG1 2.74Å; T129-T140 PolarHBondContact N-O 3Å; T129-T140 PolarHBondContact O-N 2.75Å; T129-T140 PolarHBondContact OG1-O 2.85Å; L131-T140 HydrophobicContact CD2-CG2 3.6Å; L131-T140 HydrophobicContact CG-CG2 4.08Å; T140-I142 HydrophobicContact CG2-CD1 3.91Å
141Q98.2Very high98Very high17 Ų1743 Ų438%0.07925%0.249CC..EExtended strand (participates in β ladder)trans-103.8146.5159.6-70.6179.4-93.500109A58 G60 V61 G62 A104 V125 T126 V128A58-Q141 HydrophobicContact CB-CG 4.23Å; G60-Q141 PolarHBondContact O-N 2.98Å; G60-Q141 VanDerWaalsContact O-N 3.12Å; V61-Q141 CarbonylContact C-O 3.48Å; V61-Q141 VanDerWaalsContact CA-O 3.23Å; V61-Q141 WeakPolarHBondContact CA-O 3.21Å; V61-Q141 WeakPolarHBondContact CG2-O 3.25Å; G62-Q141 PolarHBondContact N-O 3.49Å; A104-Q141 HydrophobicContact CB-CB 3.94Å; A104-Q141 HydrophobicContact CB-CG 4.41Å; V125-Q141 HydrophobicContact CG1-CB 3.85Å; V125-Q141 HydrophobicContact CG1-CG 4.49Å; T126-Q141 PolarHBondContact O-NE2 3.1Å; V128-Q141 HydrophobicContact CG2-CG 4.21Å
142I98.5Very high98Very high24 Ų2444.7 Ų44.712%0.12326%0.262CS..EExtended strand (participates in β ladder)trans-108.2122.7176.4-53.1-60000108.8G62 I64 V125 T126 T140 K195G62-I142 CarbonylContact O-C 3.47Å; G62-I142 VanDerWaalsContact O-CA 3.28Å; G62-I142 WeakPolarHBondContact O-CA 3.4Å; I64-I142 HydrophobicContact CD1-CG2 3.85Å; I64-I142 HydrophobicContact CG1-CG2 3.8Å; V125-I142 WeakPolarHBondContact CA-O 3.44Å; T126-I142 HydrophobicContact CG2-CB 3.9Å; T126-I142 PolarHBondContact N-O 2.94Å; T126-I142 PolarHBondContact OG1-N 3.25Å; T140-I142 HydrophobicContact CG2-CD1 3.91Å; I142-K195 HydrophobicContact CD1-CD 4.18Å
143A98.7Very high97.8Very high0 Ų045.7 Ų45.70%026%0.264CS..EExtended strand (participates in β ladder)trans-97.6128.2174.500000110.2V61 G62 I63 I64 A108 G124 V125 V145V61-A143 HydrophobicContact CG2-CB 4.15Å; G62-A143 PolarHBondContact O-N 2.91Å; I63-A143 CarbonylContact C-O 3.45Å; I63-A143 WeakPolarHBondContact CA-O 3.5Å; I64-A143 PolarHBondContact N-O 3.08Å; A108-A143 HydrophobicContact CB-CB 3.4Å; G124-A143 WeakPolarHBondContact O-CA 3.42Å; V125-A143 HydrophobicContact CG2-CB 4.29Å; A143-V145 HydrophobicContact CB-CG2 4.34Å
144L98.7Very high97.9Very high63 Ų6341.5 Ų41.533%0.3324%0.237SC..EExtended strand (participates in β ladder)trans-87.2122.7166177.963.8000108I64 L66 V123 G124I64-L144 HydrophobicContact CB-CD1 4.08Å; I64-L144 HydrophobicContact CG2-CD1 3.87Å; I64-L144 WeakPolarHBondContact O-CD1 3.46Å; L66-L144 HydrophobicContact CD1-CD1 3.94Å; L66-L144 HydrophobicContact CG-CD1 4.08Å; V123-L144 HydrophobicContact CB-CB 4.36Å; V123-L144 HydrophobicContact CB-CD2 4.09Å; V123-L144 HydrophobicContact CB-CG 4.08Å; V123-L144 HydrophobicContact CG1-CD2 4.1Å; V123-L144 HydrophobicContact CG2-CG 4.37Å; V123-L144 PolarHBondContact N-O 3.42Å; G124-L144 PolarHBondContact O-N 3.22Å
145V98.9Very high97.7Very high0 Ų044.1 Ų44.10%024%0.24CC..EExtended strand (participates in β ladder)trans-122.8128.4-177.9179.80000109.7I63 I64 A65 L66 L109 L112 E121 V122 A143 I147I63-V145 HydrophobicContact CG2-CB 4.14Å; I63-V145 HydrophobicContact CG2-CG2 3.77Å; I64-V145 PolarHBondContact O-N 2.87Å; A65-V145 CarbonylContact C-O 3.54Å; A65-V145 WeakPolarHBondContact CA-O 3.41Å; L66-V145 PolarHBondContact N-O 3.36Å; L109-V145 HydrophobicContact CD2-CG1 4.1Å; L109-V145 HydrophobicContact CD2-CG2 4.4Å; L112-V145 HydrophobicContact CD2-CB 4.39Å; L112-V145 HydrophobicContact CD2-CG1 3.71Å; E121-V145 CarbonylContact O-C 3.55Å; E121-V145 WeakPolarHBondContact O-CA 3.47Å; V122-V145 HydrophobicContact CG2-CG2 4.1Å; A143-V145 HydrophobicContact CB-CG2 4.34Å; V145-I147 HydrophobicContact CG1-CG1 4.42Å
146N98.7Very high97.5Very high49 Ų4947 Ų4726%0.26225%0.251SS..EExtended strand (participates in β ladder)trans-92.8133.5168.8-77.6-31.6000109.5K68 G120 E121 V123K68-N146 WeakPolarHBondContact CE-OD1 3.43Å; K68-N146 PolarHBondContact NZ-OD1 3.25Å; K68-N146 VanDerWaalsContact NZ-OD1 3.16Å; G120-N146 CarbonylContact C-O 3.53Å; G120-N146 WeakPolarHBondContact CA-O 3.5Å; E121-N146 PolarHBondContact N-O 2.84Å; E121-N146 PolarHBondContact O-N 2.9Å; V123-N146 HydrophobicContact CG2-CB 4.1Å; V123-N146 WeakPolarHBondContact CG2-ND2 3.47Å
147I98.8Very high97.4Very high2 Ų248 Ų481%0.0126%0.256CS..EExtended strand (participates in β ladder)trans-113.4122.4175.3-61.5161.5000107.8A65 L66 L67 K68 V77 L112 Y118 V145 G149 N154A65-I147 HydrophobicContact CB-CD1 3.75Å; L66-I147 PolarHBondContact O-N 2.81Å; L67-I147 HydrophobicContact CD1-CB 4.1Å; L67-I147 HydrophobicContact CD1-CG2 3.52Å; K68-I147 PolarHBondContact N-O 3.3Å; V77-I147 HydrophobicContact CG2-CD1 3.72Å; L112-I147 HydrophobicContact CD1-CD1 4.36Å; L112-I147 HydrophobicContact CD2-CD1 4.07Å; L112-I147 HydrophobicContact CD2-CG1 4.19Å; Y118-I147 HydrophobicContact CD1-CG2 3.74Å; Y118-I147 HydrophobicContact CD2-CD1 4.4Å; Y118-I147 HydrophobicContact CE1-CG2 4.44Å; Y118-I147 HydrophobicContact CG-CD1 3.99Å; Y118-I147 HydrophobicContact CG-CG2 4.22Å; V145-I147 HydrophobicContact CG1-CG1 4.42Å; I147-G149 PolarHBondContact O-N 2.83Å; I147-N154 HydrophobicContact CG2-CB 4.42Å
148N98.4Very high97.4Very high84 Ų8450.2 Ų50.245%0.44927%0.272SS..EExtended strand (participates in β ladder)trans-79.9102167.2-178.77.8000108.9D150 D151 N154N148-D150 VanDerWaalsContact C-N 3.26Å; N148-D150 PolarHBondContact O-N 3.12Å; N148-D150 PolarHBondContact OD1-N 3.42Å; N148-D150 VanDerWaalsContact OD1-N 3.12Å; N148-D151 HydrophobicContact CB-CB 4.33Å; N148-D151 WeakPolarHBondContact O-CB 3.34Å; N148-D151 PolarHBondContact O-N 3.33Å; N148-N154 WeakPolarHBondContact O-CB 3.4Å; N148-N154 PolarHBondContact O-ND2 3.33Å
149G97.9Very high97.4Very high9 Ų952.8 Ų52.89%0.09328%0.282CS..THydrogen-bonded Turntrans-76.5-9.5-17900000114.6K68 I147K68-G149 PolarHBondContact O-N 2.92Å; I147-G149 PolarHBondContact O-N 2.83Å
150D97.3Very high97.3Very high78 Ų7857.6 Ų57.642%0.41730%0.304SS..THydrogen-bonded Turntrans-90-6.6174.3-58.7-34.3000111.9T70 N148T70-D150 VanDerWaalsContact CB-OD2 3.25Å; T70-D150 WeakPolarHBondContact CB-OD2 3.39Å; T70-D150 PolarHBondContact N-OD2 2.82Å; T70-D150 PolarHBondContact OG1-OD2 3.48Å; N148-D150 VanDerWaalsContact C-N 3.26Å; N148-D150 PolarHBondContact O-N 3.12Å; N148-D150 PolarHBondContact OD1-N 3.42Å; N148-D150 VanDerWaalsContact OD1-N 3.12Å
151D97.6Very high97.2Very high67 Ų6760 Ų6036%0.35832%0.316SS..SBendtrans-70.7138.4172.8-161-33.1000110.5N148 E153 N154 I155N148-D151 HydrophobicContact CB-CB 4.33Å; N148-D151 WeakPolarHBondContact O-CB 3.34Å; N148-D151 PolarHBondContact O-N 3.33Å; D151-E153 PolarHBondContact O-N 3.47Å; D151-E153 VanDerWaalsContact O-N 3.11Å; D151-E153 PolarHBondContact OD1-N 3.26Å; D151-N154 PolarHBondContact O-N 2.97Å; D151-I155 WeakPolarHBondContact O-CG1 3.44Å; D151-I155 PolarHBondContact O-N 2.92Å
152V95.9Very high96.9Very high115 Ų11561 Ų6170%0.69733%0.33SS*.Hα-helixtrans-54.6-34.2-17769.40000112.4N154V152-N154 PolarHBondContact O-N 2.82Å
153E95.1Very high96.6Very high98 Ų9868.3 Ų68.346%0.45837%0.37SS..Hα-helixtrans-70.3-18.6180-57-154.282.600113.6K119 D151K119-E153 HydrophobicContact CD-CB 4.28Å; K119-E153 WeakPolarHBondContact CD-OE2 3.33Å; K119-E153 WeakPolarHBondContact CE-OE1 3.37Å; K119-E153 IonicContact NZ-OE1 3.45Å; K119-E153 PolarHBondContact NZ-OE1 3.34Å; K119-E153 IonicContact NZ-OE2 3.58Å; K119-E153 PolarHBondContact NZ-OE2 3.19Å; D151-E153 PolarHBondContact O-N 3.47Å; D151-E153 VanDerWaalsContact O-N 3.11Å; D151-E153 PolarHBondContact OD1-N 3.26Å
154N97.9Very high96.1Very high7 Ų770.9 Ų70.94%0.03740%0.397CS..Hα-helixtrans-109.6-0.6-175.6-71.8-35.8000113.5Y118 K119 I147 N148 D151 V152Y118-N154 HydrophobicContact CD1-CB 3.98Å; Y118-N154 HydrophobicContact CE1-CB 4.29Å; K119-N154 PolarHBondContact N-OD1 2.9Å; K119-N154 PolarHBondContact O-ND2 3.11Å; K119-N154 PolarHBondContact O-OD1 3.32Å; I147-N154 HydrophobicContact CG2-CB 4.42Å; N148-N154 WeakPolarHBondContact O-CB 3.4Å; N148-N154 PolarHBondContact O-ND2 3.33Å; D151-N154 PolarHBondContact O-N 2.97Å; V152-N154 PolarHBondContact O-N 2.82Å
155I94.8Very high95.7Very high95 Ų9571.9 Ų71.949%0.48740%0.399SS..Hα-helixtrans-68.8-41.2176.5-60.3178.2000110.7D151D151-I155 WeakPolarHBondContact O-CG1 3.44Å; D151-I155 PolarHBondContact O-N 2.92Å
156H94.4Very high95.5Very high157 Ų15780 Ų8073%0.72744%0.435SS*.SBendtrans-131.768.5-180-63.1-48.5000110.3T158H156-T158 PolarHBondContact O-N 3.37Å
157P96.1Very high95.4Very high41 Ų4178.3 Ų78.327%0.26643%0.426SS..  trans-62.2136.5-178.330.5-36.8000109.5G117 Y118G117-P157 VanDerWaalsContact C-CB 3.41Å; G117-P157 WeakPolarHBondContact O-CB 3.18Å; Y118-P157 HydrophobicContact CD1-CB 4.05Å; Y118-P157 HydrophobicContact CD1-CG 4.17Å; Y118-P157 HydrophobicContact CD2-CB 4.42Å; Y118-P157 HydrophobicContact CD2-CG 4.44Å; Y118-P157 HydrophobicContact CE1-CB 4.14Å; Y118-P157 HydrophobicContact CE1-CG 3.74Å; Y118-P157 HydrophobicContact CE2-CB 4.49Å; Y118-P157 HydrophobicContact CE2-CG 4.02Å; Y118-P157 HydrophobicContact CG-CB 4.2Å
158T96.3Very high95.4Very high102 Ų10283 Ų8363%0.62645%0.448SS*.  trans-119.9122.1177.4-55.60000108.4G117 H156G117-T158 WeakPolarHBondContact CA-O 3.46Å; H156-T158 PolarHBondContact O-N 3.37Å
159Q97.5Very high95.4Very high70 Ų7081.1 Ų81.133%0.32744%0.44SS..  trans-64.5153.2176.9-61.8171.2-85.500110.8E114 E115 L161 V167 V169E114-Q159 CarbonylContact O-C 3.59Å; E114-Q159 WeakPolarHBondContact O-CA 3.44Å; E114-Q159 WeakPolarHBondContact O-CB 3.43Å; E115-Q159 WeakPolarHBondContact O-CG 3.33Å; E115-Q159 PolarHBondContact O-NE2 2.87Å; Q159-L161 HydrophobicContact CB-CD2 4.32Å; Q159-L161 HydrophobicContact CB-CG 4.05Å; Q159-V167 PolarHBondContact NE2-O 2.8Å; Q159-V169 HydrophobicContact CG-CG2 4.26Å
160Q96.8Very high95.4Very high123 Ų12381.7 Ų81.758%0.57544%0.441SS*.  trans-127.864.6174.8-60-179.93.300108.7E114E114-Q160 HydrophobicContact CG-CB 4.49Å; E114-Q160 CarbonylContact O-C 3.59Å; E114-Q160 PolarHBondContact O-N 2.92Å
161L95.1Very high95.5Very high60 Ų6081.1 Ų81.131%0.31444%0.437SS..PPolyproline II helixtrans-70.9141.7-175.8-58.5178.3000111.5Q159 E165 V167Q159-L161 HydrophobicContact CB-CD2 4.32Å; Q159-L161 HydrophobicContact CB-CG 4.05Å; L161-E165 HydrophobicContact CB-CB 4.13Å; L161-V167 HydrophobicContact CD1-CB 4.38Å; L161-V167 HydrophobicContact CD2-CB 3.98Å; L161-V167 HydrophobicContact CD2-CG2 4.01Å
162G91.9Very high95.5Very high37 Ų3778.4 Ų78.438%0.38142%0.422SS..PPolyproline II helixtrans-70.8170.5171.300000113.1G164 E165G162-G164 PolarHBondContact O-N 2.91Å; G162-E165 WeakPolarHBondContact CA-OE2 3.41Å; G162-E165 PolarHBondContact N-OE2 3.47Å; G162-E165 WeakPolarHBondContact O-CB 3.17Å; G162-E165 PolarHBondContact O-N 2.95Å; G162-E165 VanDerWaalsContact O-N 3.16Å
163D92.4Very high95.6Very high177 Ų17774.3 Ų74.395%0.94740%0.399SS*.THydrogen-bonded Turntrans-63.6128.7174.5-174.736.1000110.9E165D163-E165 VanDerWaalsContact C-N 3.31Å
164G88.3Confident95.6Very high55 Ų5571 Ų7157%0.56738%0.384SS*.THydrogen-bonded Turntrans80.92.9-176.300000115.5G162 F166G162-G164 PolarHBondContact O-N 2.91Å; G164-F166 WeakPolarHBondContact O-CD2 3.36Å
165E90.3Very high95.3Very high83 Ų8373.5 Ų73.539%0.38840%0.397SS..  trans-94126.2174.8-66.9-179.1163.400111.3L161 G162 D163L161-E165 HydrophobicContact CB-CB 4.13Å; G162-E165 WeakPolarHBondContact CA-OE2 3.41Å; G162-E165 PolarHBondContact N-OE2 3.47Å; G162-E165 WeakPolarHBondContact O-CB 3.17Å; G162-E165 PolarHBondContact O-N 2.95Å; G162-E165 VanDerWaalsContact O-N 3.16Å; D163-E165 VanDerWaalsContact C-N 3.31Å
166F94.8Very high95.3Very high170 Ų17072.1 Ų72.175%0.74639%0.388SS*.  trans-132.199.3179.7-58.2-87.3000108.5G164G164-F166 WeakPolarHBondContact O-CD2 3.36Å
167V96.7Very high95.4Very high14 Ų1464.8 Ų64.89%0.08536%0.355CS..EExtended strand (participates in β ladder)trans-125.7125.9-170.5-175.30000110.2V79 Q81 E115 Q159 L161V79-V167 HydrophobicContact CB-CG1 3.51Å; V79-V167 HydrophobicContact CG1-CG1 3.47Å; V79-V167 VanDerWaalsContact CG1-CG1 3.47Å; V79-V167 HydrophobicContact CG2-CG1 4.49Å; Q81-V167 HydrophobicContact CB-CG2 4.42Å; E115-V167 HydrophobicContact CB-CG1 4.48Å; Q159-V167 PolarHBondContact NE2-O 2.8Å; L161-V167 HydrophobicContact CD1-CB 4.38Å; L161-V167 HydrophobicContact CD2-CB 3.98Å; L161-V167 HydrophobicContact CD2-CG2 4.01Å
168E98.1Very high95.4Very high101 Ų10164.7 Ų64.747%0.47235%0.351SS..EExtended strand (participates in β ladder)trans-97125.3172.8-179.5-171.9167.900109.5V79 K80 I170V79-E168 CarbonylContact C-O 3.6Å; V79-E168 WeakPolarHBondContact CA-O 3.45Å; K80-E168 HydrophobicContact CB-CB 4.27Å; K80-E168 WeakPolarHBondContact CD-OE2 3.23Å; K80-E168 PolarHBondContact N-O 3.2Å; K80-E168 IonicContact NZ-OE2 2.76Å; K80-E168 PolarHBondContact NZ-OE2 2.92Å; K80-E168 PolarHBondContact O-N 2.88Å; E168-I170 HydrophobicContact CG-CG1 4.35Å
169V98.6Very high95.4Very high44 Ų4462.3 Ų62.327%0.26734%0.337SS..EExtended strand (participates in β ladder)trans-82.3127.5174.8-177.40000110V77 T116 Q159 L171V77-V169 HydrophobicContact CG1-CG1 3.96Å; T116-V169 HydrophobicContact CG2-CG2 4.36Å; Q159-V169 HydrophobicContact CG-CG2 4.26Å; V169-L171 HydrophobicContact CG1-CD2 4.4Å
170I98.1Very high95.4Very high22 Ų2262.1 Ų62.111%0.11334%0.335CS..EExtended strand (participates in β ladder)trans-120.3128.3176.1-58.4-179.7000108.9M78 K80 L91 E168 L172M78-I170 WeakPolarHBondContact CA-O 3.46Å; M78-I170 HydrophobicContact CB-CB 4.27Å; M78-I170 WeakPolarHBondContact CB-O 3.44Å; M78-I170 PolarHBondContact N-O 3.23Å; M78-I170 PolarHBondContact O-N 3.02Å; K80-I170 HydrophobicContact CB-CD1 3.57Å; K80-I170 HydrophobicContact CB-CG1 4.29Å; K80-I170 HydrophobicContact CD-CD1 3.86Å; K80-I170 HydrophobicContact CG-CD1 4.38Å; L91-I170 HydrophobicContact CD1-CD1 4Å; E168-I170 HydrophobicContact CG-CG1 4.35Å; I170-L172 HydrophobicContact CG2-CD2 3.62Å; I170-L172 HydrophobicContact CG2-CG 4Å
171L98.4Very high95.4Very high65 Ų6556.2 Ų56.234%0.3431%0.308SS..EExtended strand (participates in β ladder)trans-101118.7174-59.7-178.2000110L67 C75 V77 Y118 V169L67-L171 HydrophobicContact CD2-CD1 3.95Å; L67-L171 HydrophobicContact CD2-CD2 4.23Å; C75-L171 HydrophobicContact CB-CB 4.35Å; V77-L171 HydrophobicContact CB-CD2 4.2Å; V77-L171 HydrophobicContact CG1-CD2 4.12Å; V77-L171 HydrophobicContact CG2-CD2 3.81Å; Y118-L171 HydrophobicContact CE2-CD2 4.22Å; V169-L171 HydrophobicContact CG1-CD2 4.4Å
172L98.2Very high95.5Very high10 Ų1054.2 Ų54.25%0.05230%0.297CS..EExtended strand (participates in β ladder)trans-111.8123.7178-60.6-172.7000110.3C75 V76 M78 L91 I170 L174 F177 K180 I181 L184C75-L172 CarbonylContact C-O 3.49Å; C75-L172 VanDerWaalsContact CA-O 3.27Å; C75-L172 WeakPolarHBondContact CA-O 3.08Å; V76-L172 PolarHBondContact N-O 3.38Å; V76-L172 PolarHBondContact O-N 3.19Å; M78-L172 HydrophobicContact CG-CD1 3.99Å; M78-L172 HydrophobicContact CG-CG 4.06Å; L91-L172 HydrophobicContact CD2-CD1 4.24Å; I170-L172 HydrophobicContact CG2-CD2 3.62Å; I170-L172 HydrophobicContact CG2-CG 4Å; L172-L174 PolarHBondContact O-N 2.95Å; L172-F177 HydrophobicContact CB-CD2 3.61Å; L172-F177 HydrophobicContact CB-CE2 3.8Å; L172-F177 HydrophobicContact CD1-CD2 4.06Å; L172-F177 HydrophobicContact CD1-CE2 3.75Å; L172-F177 HydrophobicContact CG-CD2 4.48Å; L172-F177 HydrophobicContact CG-CE2 4.33Å; L172-K180 HydrophobicContact CD2-CB 4.03Å; L172-I181 HydrophobicContact CD1-CG1 3.75Å; L172-L184 HydrophobicContact CD1-CD1 4.36Å; L172-L184 HydrophobicContact CD2-CD1 4.13Å
173P97.2Very high95.8Very high30 Ų3054.6 Ų54.620%0.19529%0.291CS..EExtended strand (participates in β ladder)trans-54.5129.6174.4-24.933.1000111.3D175 E176 F177P173-D175 VanDerWaalsContact C-N 3.26Å; P173-D175 PolarHBondContact O-N 2.78Å; P173-E176 HydrophobicContact CB-CB 4.44Å; P173-E176 CarbonylContact O-C 3.6Å; P173-E176 PolarHBondContact O-N 2.6Å; P173-F177 VanDerWaalsContact O-CA 3.3Å; P173-F177 WeakPolarHBondContact O-CA 3.1Å; P173-F177 PolarHBondContact O-N 3.16Å
174L95.4Very high96Very high28 Ų2847.6 Ų47.615%0.14725%0.253CS..G310 helixtrans-62.7-34.9-175-178.664.8000112L66 D74 V76 L172 E176 F177 F199 M203L66-L174 HydrophobicContact CD2-CD1 4.17Å; L66-L174 HydrophobicContact CD2-CD2 4.43Å; D74-L174 HydrophobicContact CB-CB 4.22Å; D74-L174 HydrophobicContact CB-CD2 4.19Å; D74-L174 WeakPolarHBondContact O-CB 3.4Å; D74-L174 PolarHBondContact O-N 2.78Å; V76-L174 HydrophobicContact CG2-CB 4.37Å; V76-L174 HydrophobicContact CG2-CD1 3.51Å; L172-L174 PolarHBondContact O-N 2.95Å; L174-E176 VanDerWaalsContact C-N 3.32Å; L174-E176 PolarHBondContact O-N 2.78Å; L174-F177 WeakPolarHBondContact O-CB 3.49Å; L174-F199 HydrophobicContact CD1-CE1 4.4Å; L174-M203 HydrophobicContact CD1-CE 4.04Å; L174-M203 HydrophobicContact CG-CE 4.26Å
175D93.1Very high96.4Very high60 Ų6048.5 Ų48.532%0.32124%0.244SC..G310 helixtrans-78.8-14.4-178.269.6-28.8000114.7K73 P173 F208K73-D175 WeakPolarHBondContact CD-OD1 3.36Å; K73-D175 WeakPolarHBondContact CD-OD2 3.27Å; K73-D175 WeakPolarHBondContact CE-OD2 3.45Å; K73-D175 IonicContact NZ-OD1 3.45Å; K73-D175 IonicContact NZ-OD2 3.67Å; K73-D175 PolarHBondContact NZ-OD2 2.93Å; P173-D175 VanDerWaalsContact C-N 3.26Å; P173-D175 PolarHBondContact O-N 2.78Å; D175-F208 VanDerWaalsContact CA-CZ 3.45Å; D175-F208 HydrophobicContact CB-CE1 4.08Å; D175-F208 HydrophobicContact CB-CZ 3.88Å; D175-F208 WeakPolarHBondContact O-CE1 3.47Å
176E93.9Very high96.8Very high65 Ų6552.5 Ų52.530%0.30426%0.256SS..G310 helixtrans-118.914.5176-65.1174.2-128.400111.3K73 P173 L174 Q178 C179 K180K73-E176 IonicContact NZ-OE1 3.73Å; K73-E176 PolarHBondContact NZ-OE1 2.9Å; P173-E176 HydrophobicContact CB-CB 4.44Å; P173-E176 CarbonylContact O-C 3.6Å; P173-E176 PolarHBondContact O-N 2.6Å; L174-E176 VanDerWaalsContact C-N 3.32Å; L174-E176 PolarHBondContact O-N 2.78Å; E176-Q178 PolarHBondContact O-N 3.48Å; E176-C179 WeakPolarHBondContact O-CA 3.32Å; E176-C179 WeakPolarHBondContact O-CB 3.47Å; E176-C179 PolarHBondContact O-N 3.3Å; E176-K180 HydrophobicContact CB-CG 4.11Å; E176-K180 WeakPolarHBondContact O-CG 3.37Å; E176-K180 PolarHBondContact O-N 3.04Å; E176-K180 WeakPolarHBondContact OE2-CE 3.25Å; E176-K180 IonicContact OE2-NZ 2.81Å; E176-K180 PolarHBondContact OE2-NZ 2.94Å
177F96.1Very high96.8Very high4 Ų453.7 Ų53.72%0.01826%0.256CS..Hα-helixtrans-54.6-53.6-163.3-171.9-119.1000113V76 M78 F93 L172 P173 L174 C179 K180 I181 V196 F199 A200V76-F177 HydrophobicContact CB-CD2 3.98Å; V76-F177 HydrophobicContact CB-CE2 3.57Å; V76-F177 HydrophobicContact CB-CZ 4.21Å; V76-F177 HydrophobicContact CG1-CE2 3.93Å; V76-F177 HydrophobicContact CG1-CZ 4.09Å; V76-F177 HydrophobicContact CG2-CD2 3.7Å; V76-F177 HydrophobicContact CG2-CE2 3.71Å; V76-F177 HydrophobicContact CG2-CG 4.23Å; V76-F177 HydrophobicContact CG2-CZ 4.24Å; M78-F177 HydrophobicContact CE-CE2 4.43Å; M78-F177 HydrophobicContact CE-CZ 3.99Å; M78-F177 HydrophobicContact CG-CE2 4.13Å; M78-F177 HydrophobicContact SD-CE2 3.76Å; M78-F177 HydrophobicContact SD-CZ 3.7Å; F93-F177 HydrophobicContact CE1-CZ 4.44Å; L172-F177 HydrophobicContact CB-CD2 3.61Å; L172-F177 HydrophobicContact CB-CE2 3.8Å; L172-F177 HydrophobicContact CD1-CD2 4.06Å; L172-F177 HydrophobicContact CD1-CE2 3.75Å; L172-F177 HydrophobicContact CG-CD2 4.48Å; L172-F177 HydrophobicContact CG-CE2 4.33Å; P173-F177 VanDerWaalsContact O-CA 3.3Å; P173-F177 WeakPolarHBondContact O-CA 3.1Å; P173-F177 PolarHBondContact O-N 3.16Å; L174-F177 WeakPolarHBondContact O-CB 3.49Å; F177-C179 PolarHBondContact O-N 3.46Å; F177-K180 PolarHBondContact O-N 2.91Å; F177-I181 HydrophobicContact CD1-CD1 3.87Å; F177-I181 HydrophobicContact CD2-CD1 4.34Å; F177-I181 HydrophobicContact CE1-CD1 3.56Å; F177-I181 HydrophobicContact CE2-CD1 4.08Å; F177-I181 HydrophobicContact CG-CD1 4.24Å; F177-I181 HydrophobicContact CZ-CD1 3.7Å; F177-I181 VanDerWaalsContact O-CG1 3.31Å; F177-I181 WeakPolarHBondContact O-CG1 3.3Å; F177-I181 PolarHBondContact O-N 3.27Å; F177-V196 HydrophobicContact CE1-CG1 4.31Å; F177-V196 HydrophobicContact CZ-CG1 4.05Å; F177-F199 HydrophobicContact CD1-CD1 4.15Å; F177-F199 HydrophobicContact CD1-CE1 4.43Å; F177-F199 AromaticContact CE1-CD1 3.73Å; F177-F199 HydrophobicContact CE1-CD1 3.73Å; F177-F199 HydrophobicContact CE1-CE1 4.26Å; F177-A200 HydrophobicContact CD1-CB 3.52Å; F177-A200 HydrophobicContact CE1-CB 3.77Å
178Q96.3Very high96.8Very high39 Ų3956.7 Ų56.718%0.18227%0.268CS..Hα-helixtrans-61.9-43.6177.2-169.3-174.921.500112.1E176 K180 I181 D182 Y197 A200 A204E176-Q178 PolarHBondContact O-N 3.48Å; Q178-K180 VanDerWaalsContact C-N 3.33Å; Q178-K180 PolarHBondContact O-N 2.92Å; Q178-I181 PolarHBondContact O-N 3.35Å; Q178-D182 VanDerWaalsContact O-CG 3.27Å; Q178-D182 PolarHBondContact O-N 2.87Å; Q178-Y197 PolarHBondContact NE2-OH 3.34Å; Q178-A200 HydrophobicContact CB-CB 4Å; Q178-A200 HydrophobicContact CG-CB 4.28Å; Q178-A204 HydrophobicContact CB-CB 4.46Å
179C95.7Very high96.6Very high51 Ų5161.8 Ų61.835%0.34529%0.289SS..Hα-helixtrans-59.5-43.8179.5-600000111.7E176 F177 D182 D183 R211E176-C179 WeakPolarHBondContact O-CA 3.32Å; E176-C179 WeakPolarHBondContact O-CB 3.47Å; E176-C179 PolarHBondContact O-N 3.3Å; F177-C179 PolarHBondContact O-N 3.46Å; C179-D182 PolarHBondContact O-N 3.39Å; C179-D183 PolarHBondContact O-N 3.38Å; C179-R211 PolarHBondContact SG-NH2 3.48Å
180K97.4Very high96.5Very high66 Ų6660.3 Ų60.329%0.28728%0.28SS..Hα-helixtrans-67.7-37.4178.8-64.9-53.8-164.5-143.20112L172 E176 F177 Q178 D183 L184L172-K180 HydrophobicContact CD2-CB 4.03Å; E176-K180 HydrophobicContact CB-CG 4.11Å; E176-K180 WeakPolarHBondContact O-CG 3.37Å; E176-K180 PolarHBondContact O-N 3.04Å; E176-K180 WeakPolarHBondContact OE2-CE 3.25Å; E176-K180 IonicContact OE2-NZ 2.81Å; E176-K180 PolarHBondContact OE2-NZ 2.94Å; F177-K180 PolarHBondContact O-N 2.91Å; Q178-K180 VanDerWaalsContact C-N 3.33Å; Q178-K180 PolarHBondContact O-N 2.92Å; K180-D183 PolarHBondContact O-N 3.09Å; K180-L184 WeakPolarHBondContact O-CG 3.41Å; K180-L184 PolarHBondContact O-N 2.67Å
181I98Very high96.5Very high0 Ų063.1 Ų63.10%029%0.294CS..Hα-helixtrans-62.1-47.4173-67.4166.5000110.4L91 L172 F177 Q178 D183 L184 I185 V192 V196 Y197 A200L91-I181 HydrophobicContact CD2-CG1 4.02Å; L91-I181 HydrophobicContact CD2-CG2 4.42Å; L172-I181 HydrophobicContact CD1-CG1 3.75Å; F177-I181 HydrophobicContact CD1-CD1 3.87Å; F177-I181 HydrophobicContact CD2-CD1 4.34Å; F177-I181 HydrophobicContact CE1-CD1 3.56Å; F177-I181 HydrophobicContact CE2-CD1 4.08Å; F177-I181 HydrophobicContact CG-CD1 4.24Å; F177-I181 HydrophobicContact CZ-CD1 3.7Å; F177-I181 VanDerWaalsContact O-CG1 3.31Å; F177-I181 WeakPolarHBondContact O-CG1 3.3Å; F177-I181 PolarHBondContact O-N 3.27Å; Q178-I181 PolarHBondContact O-N 3.35Å; I181-D183 VanDerWaalsContact C-N 3.27Å; I181-D183 PolarHBondContact O-N 3.23Å; I181-L184 PolarHBondContact O-N 3.11Å; I181-L184 VanDerWaalsContact O-N 3.14Å; I181-I185 HydrophobicContact CG2-CD1 3.96Å; I181-I185 HydrophobicContact CG2-CG1 4.45Å; I181-I185 WeakPolarHBondContact O-CG1 3.33Å; I181-I185 PolarHBondContact O-N 3.03Å; I181-V192 HydrophobicContact CG2-CB 4.41Å; I181-V192 HydrophobicContact CG2-CG1 4.01Å; I181-V192 HydrophobicContact CG2-CG2 3.71Å; I181-V196 HydrophobicContact CD1-CG1 3.82Å; I181-Y197 HydrophobicContact CG2-CD2 3.76Å; I181-Y197 HydrophobicContact CG2-CE2 3.82Å; I181-A200 HydrophobicContact CD1-CB 3.85Å
182D97.1Very high96.5Very high17 Ų1761.3 Ų61.39%0.09129%0.285CS..Hα-helixtrans-58.7-39.5176.9-66-19.8000111.8Q178 C179 R186 Y197 R211Q178-D182 VanDerWaalsContact O-CG 3.27Å; Q178-D182 PolarHBondContact O-N 2.87Å; C179-D182 PolarHBondContact O-N 3.39Å; D182-R186 WeakPolarHBondContact O-CG 3.28Å; D182-R186 PolarHBondContact O-N 3.49Å; D182-Y197 PolarHBondContact OD1-OH 3.48Å; D182-R211 IonicContact OD2-NH1 3.46Å; D182-R211 PolarHBondContact OD2-NH1 2.84Å; D182-R211 IonicContact OD2-NH2 3.58Å
183D97.6Very high96.5Very high46 Ų4662.3 Ų62.325%0.24629%0.291CS..Hα-helixtrans-63.6-43.1175.1-82.8-27.9000112.3C179 K180 I181 R186 R187C179-D183 PolarHBondContact O-N 3.38Å; K180-D183 PolarHBondContact O-N 3.09Å; I181-D183 VanDerWaalsContact C-N 3.27Å; I181-D183 PolarHBondContact O-N 3.23Å; D183-R186 PolarHBondContact O-N 3.23Å; D183-R186 IonicContact OD1-CZ 3.59Å; D183-R186 IonicContact OD1-NE 3.78Å; D183-R186 IonicContact OD1-NH2 2.65Å; D183-R186 PolarHBondContact OD1-NH2 3.3Å; D183-R187 VanDerWaalsContact O-CG 3.28Å; D183-R187 WeakPolarHBondContact O-CG 3.45Å; D183-R187 PolarHBondContact O-N 2.93Å; D183-R187 VanDerWaalsContact O-N 3.16Å
184L96.9Very high96.5Very high29 Ų2964.5 Ų64.515%0.15231%0.307CS..Hα-helixtrans-62.6-46.4177.1-74.4171.8000111.4L91 L172 K180 I181 R186 R187 E188L91-L184 HydrophobicContact CD2-CD1 4.09Å; L172-L184 HydrophobicContact CD1-CD1 4.36Å; L172-L184 HydrophobicContact CD2-CD1 4.13Å; K180-L184 WeakPolarHBondContact O-CG 3.41Å; K180-L184 PolarHBondContact O-N 2.67Å; I181-L184 PolarHBondContact O-N 3.11Å; I181-L184 VanDerWaalsContact O-N 3.14Å; L184-R186 PolarHBondContact O-N 2.83Å; L184-R187 PolarHBondContact O-N 3.31Å; L184-R187 VanDerWaalsContact O-N 3.1Å; L184-E188 PolarHBondContact O-N 3.33Å
185I97.1Very high96.7Very high75 Ų7566.1 Ų66.139%0.38531%0.313SS..Hα-helixtrans-57-37.6177-65.6165.8000111.4I181 E188 V192 Y197I181-I185 HydrophobicContact CG2-CD1 3.96Å; I181-I185 HydrophobicContact CG2-CG1 4.45Å; I181-I185 WeakPolarHBondContact O-CG1 3.33Å; I181-I185 PolarHBondContact O-N 3.03Å; I185-E188 VanDerWaalsContact O-O 3.11Å; I185-V192 HydrophobicContact CD1-CG2 3.72Å; I185-V192 HydrophobicContact CG1-CG2 3.67Å; I185-Y197 HydrophobicContact CD1-CE2 4.17Å
186R97.3Very high96.9Very high167 Ų16763.2 Ų63.263%0.6330%0.297SS*.Hα-helixtrans-72.4-32.1178.8-77.3-171.4-71-91.33.1113.6D182 D183 L184D182-R186 WeakPolarHBondContact O-CG 3.28Å; D182-R186 PolarHBondContact O-N 3.49Å; D183-R186 PolarHBondContact O-N 3.23Å; D183-R186 IonicContact OD1-CZ 3.59Å; D183-R186 IonicContact OD1-NE 3.78Å; D183-R186 IonicContact OD1-NH2 2.65Å; D183-R186 PolarHBondContact OD1-NH2 3.3Å; L184-R186 PolarHBondContact O-N 2.83Å
187R96.4Very high97.1Very high195 Ų19563.1 Ų63.174%0.73630%0.295SS*.Hα-helixtrans-90.7-28.7-172.9-69.2173.1-170.9-1684.7112.8D183 L184D183-R187 VanDerWaalsContact O-CG 3.28Å; D183-R187 WeakPolarHBondContact O-CG 3.45Å; D183-R187 PolarHBondContact O-N 2.93Å; D183-R187 VanDerWaalsContact O-N 3.16Å; L184-R187 PolarHBondContact O-N 3.31Å; L184-R187 VanDerWaalsContact O-N 3.1Å
188E94.9Very high97.2Very high76 Ų7668.5 Ų68.536%0.35532%0.322SS..SBendtrans-131.6150.2-170.4-62.1-179.6-14800111.1K80 L184 I185 I190K80-E188 IonicContact NZ-OE2 2.96Å; K80-E188 PolarHBondContact NZ-OE2 2.89Å; L184-E188 PolarHBondContact O-N 3.33Å; I185-E188 VanDerWaalsContact O-O 3.11Å; E188-I190 HydrophobicContact CB-CG2 4.39Å; E188-I190 PolarHBondContact O-N 3Å
189K94.1Very high97.2Very high208 Ų20869.1 Ų69.190%0.90432%0.324SS*.  trans-79.177.9170.1-170-178.9178.1-175.50109.2
190I96.8Very high97.3Very high14 Ų1466.7 Ų66.77%0.07231%0.308CS..EExtended strand (participates in β ladder)trans-122.2144.1-179.7-166.4162.6000111K80 L91 E188K80-I190 HydrophobicContact CD-CD1 3.76Å; K80-I190 HydrophobicContact CG-CD1 3.88Å; L91-I190 HydrophobicContact CB-CD1 3.71Å; L91-I190 HydrophobicContact CB-CG1 4.2Å; E188-I190 HydrophobicContact CB-CG2 4.39Å; E188-I190 PolarHBondContact O-N 3Å
191I98.2Very high97.1Very high81 Ų8168 Ų6842%0.41532%0.316SS..EExtended strand (participates in β ladder)trans-105.7126.8172.9-58.8175.2000108.2M86 S89 T90 L91M86-I191 HydrophobicContact CB-CD1 4.28Å; M86-I191 HydrophobicContact CE-CD1 3.4Å; M86-I191 HydrophobicContact CE-CG2 4.26Å; S89-I191 PolarHBondContact O-N 2.9Å; T90-I191 CarbonylContact C-O 3.5Å; T90-I191 WeakPolarHBondContact CA-O 3.39Å; T90-I191 HydrophobicContact CG2-CB 4.39Å; L91-I191 PolarHBondContact N-O 2.9Å
192V98.6Very high96.9Very high26 Ų2669.8 Ų69.816%0.15834%0.335CS..EExtended strand (participates in β ladder)trans-90.3133.4179.8-176.30000109.3L91 I181 I185 V196 Y197L91-V192 HydrophobicContact CB-CG2 4.27Å; L91-V192 HydrophobicContact CD2-CG1 4.49Å; L91-V192 HydrophobicContact CD2-CG2 4.35Å; I181-V192 HydrophobicContact CG2-CB 4.41Å; I181-V192 HydrophobicContact CG2-CG1 4.01Å; I181-V192 HydrophobicContact CG2-CG2 3.71Å; I185-V192 HydrophobicContact CD1-CG2 3.72Å; I185-V192 HydrophobicContact CG1-CG2 3.67Å; V192-V196 HydrophobicContact CG1-CB 3.96Å; V192-V196 HydrophobicContact CG1-CG1 3.74Å; V192-Y197 HydrophobicContact CG1-CD2 4.24Å
193D98.6Very high96.6Very high32 Ų3270.7 Ų70.717%0.17134%0.339CS..  trans-58.3141.5174173.1-102000111.2L91 E92 K195 V196 Y197L91-D193 PolarHBondContact O-N 3.32Å; E92-D193 HydrophobicContact CB-CB 4.36Å; E92-D193 HydrophobicContact CG-CB 4.08Å; D193-K195 VanDerWaalsContact C-N 3.31Å; D193-K195 PolarHBondContact O-N 2.86Å; D193-K195 WeakPolarHBondContact OD1-CA 3.33Å; D193-K195 WeakPolarHBondContact OD1-CB 3.49Å; D193-K195 WeakPolarHBondContact OD1-CE 3.31Å; D193-K195 PolarHBondContact OD1-N 3.35Å; D193-K195 IonicContact OD1-NZ 2.69Å; D193-K195 PolarHBondContact OD1-NZ 3.06Å; D193-K195 IonicContact OD2-NZ 3.8Å; D193-K195 PolarHBondContact OD2-NZ 3.45Å; D193-V196 HydrophobicContact CB-CB 4.34Å; D193-V196 HydrophobicContact CB-CG2 3.95Å; D193-V196 WeakPolarHBondContact O-CB 3.4Å; D193-V196 PolarHBondContact O-N 2.91Å; D193-V196 PolarHBondContact OD1-N 3.4Å; D193-Y197 PolarHBondContact O-N 3.31Å; D193-Y197 VanDerWaalsContact O-N 3.09Å
194S98.1Very high96.2Very high75 Ų7569.2 Ų69.252%0.52433%0.334SS..Hα-helixtrans-61.6-38.6-175.558.50000112.2V196 Y197 I198S194-V196 VanDerWaalsContact C-N 3.33Å; S194-V196 PolarHBondContact O-N 3.25Å; S194-Y197 PolarHBondContact O-N 3.46Å; S194-I198 WeakPolarHBondContact O-CB 3.41Å; S194-I198 WeakPolarHBondContact O-CD1 3.27Å; S194-I198 WeakPolarHBondContact O-CG1 3.3Å; S194-I198 PolarHBondContact O-N 2.93Å
195K98Very high95.8Very high62 Ų6273.9 Ų73.927%0.2736%0.355SS..Hα-helixtrans-66.5-38.6179.5-54175-63.8-54.70110.6L131 I142 D193 F199L131-K195 HydrophobicContact CD2-CD 4.18Å; I142-K195 HydrophobicContact CD1-CD 4.18Å; D193-K195 VanDerWaalsContact C-N 3.31Å; D193-K195 PolarHBondContact O-N 2.86Å; D193-K195 WeakPolarHBondContact OD1-CA 3.33Å; D193-K195 WeakPolarHBondContact OD1-CB 3.49Å; D193-K195 WeakPolarHBondContact OD1-CE 3.31Å; D193-K195 PolarHBondContact OD1-N 3.35Å; D193-K195 IonicContact OD1-NZ 2.69Å; D193-K195 PolarHBondContact OD1-NZ 3.06Å; D193-K195 IonicContact OD2-NZ 3.8Å; D193-K195 PolarHBondContact OD2-NZ 3.45Å; K195-F199 VanDerWaalsContact O-CB 3.3Å; K195-F199 WeakPolarHBondContact O-CB 3.2Å; K195-F199 PolarHBondContact O-N 3.35Å
196V98.5Very high95.3Very high0 Ų073.7 Ų73.70%036%0.364CS..Hα-helixtrans-60.3-51.5174.9173.90000110.9M78 F93 F177 I181 V192 D193 S194 F199 A200M78-V196 HydrophobicContact CE-CB 4.16Å; M78-V196 HydrophobicContact CE-CG1 3.42Å; M78-V196 VanDerWaalsContact CE-CG1 3.42Å; M78-V196 HydrophobicContact CE-CG2 3.57Å; F93-V196 HydrophobicContact CD1-CG2 4.31Å; F93-V196 HydrophobicContact CD2-CG2 3.63Å; F93-V196 HydrophobicContact CE1-CG2 4.4Å; F93-V196 HydrophobicContact CE2-CB 4.32Å; F93-V196 HydrophobicContact CE2-CG2 3.76Å; F93-V196 HydrophobicContact CG-CG2 3.92Å; F93-V196 HydrophobicContact CZ-CG2 4.14Å; F177-V196 HydrophobicContact CE1-CG1 4.31Å; F177-V196 HydrophobicContact CZ-CG1 4.05Å; I181-V196 HydrophobicContact CD1-CG1 3.82Å; V192-V196 HydrophobicContact CG1-CB 3.96Å; V192-V196 HydrophobicContact CG1-CG1 3.74Å; D193-V196 HydrophobicContact CB-CB 4.34Å; D193-V196 HydrophobicContact CB-CG2 3.95Å; D193-V196 WeakPolarHBondContact O-CB 3.4Å; D193-V196 PolarHBondContact O-N 2.91Å; D193-V196 PolarHBondContact OD1-N 3.4Å; S194-V196 VanDerWaalsContact C-N 3.33Å; S194-V196 PolarHBondContact O-N 3.25Å; V196-F199 PolarHBondContact O-N 3.33Å; V196-A200 WeakPolarHBondContact O-CB 3.36Å; V196-A200 PolarHBondContact O-N 2.94Å
197Y98.3Very high94.3Very high63 Ų6372.9 Ų72.925%0.24737%0.366CS..Hα-helixtrans-71.2-35.1-176.7-152.5-89.1000112.2Q178 I181 D182 I185 V192 D193 S194 A200 M201Q178-Y197 PolarHBondContact NE2-OH 3.34Å; I181-Y197 HydrophobicContact CG2-CD2 3.76Å; I181-Y197 HydrophobicContact CG2-CE2 3.82Å; D182-Y197 PolarHBondContact OD1-OH 3.48Å; I185-Y197 HydrophobicContact CD1-CE2 4.17Å; V192-Y197 HydrophobicContact CG1-CD2 4.24Å; D193-Y197 PolarHBondContact O-N 3.31Å; D193-Y197 VanDerWaalsContact O-N 3.09Å; S194-Y197 PolarHBondContact O-N 3.46Å; Y197-A200 PolarHBondContact O-N 3.1Å; Y197-M201 HydrophobicContact CD1-CG 3.78Å; Y197-M201 HydrophobicContact CD1-SD 3.68Å; Y197-M201 HydrophobicContact CE1-CG 3.71Å; Y197-M201 HydrophobicContact CE1-SD 3.71Å; Y197-M201 WeakPolarHBondContact O-CB 3.36Å; Y197-M201 WeakPolarHBondContact O-CG 3.5Å; Y197-M201 PolarHBondContact O-N 3.31Å
198I97.6Very high92.8Very high116 Ų11667.5 Ų67.560%0.59535%0.348SS*.Hα-helixtrans-61.7-46.1172.5-71.5165.6000110.6S194 A200 M201 G202S194-I198 WeakPolarHBondContact O-CB 3.41Å; S194-I198 WeakPolarHBondContact O-CD1 3.27Å; S194-I198 WeakPolarHBondContact O-CG1 3.3Å; S194-I198 PolarHBondContact O-N 2.93Å; I198-A200 VanDerWaalsContact C-N 3.32Å; I198-A200 PolarHBondContact O-N 3.25Å; I198-M201 PolarHBondContact O-N 2.99Å; I198-G202 PolarHBondContact O-N 3.35Å
199F96.8Very high91.2Very high52 Ų5273.2 Ų73.223%0.22837%0.371CS..Hα-helixtrans-59.4-45175.1178.2-102000111.1I64 F93 L174 F177 K195 V196 M201 G202 M203I64-F199 HydrophobicContact CD1-CD2 3.94Å; I64-F199 HydrophobicContact CD1-CE2 4.07Å; I64-F199 HydrophobicContact CD1-CG 4.47Å; I64-F199 HydrophobicContact CG2-CE1 4.37Å; I64-F199 HydrophobicContact CG2-CE2 4.35Å; I64-F199 HydrophobicContact CG2-CZ 4.02Å; F93-F199 HydrophobicContact CE1-CD1 4.5Å; F93-F199 HydrophobicContact CE2-CB 4.31Å; F93-F199 HydrophobicContact CZ-CB 3.99Å; F93-F199 AromaticContact CZ-CD1 3.84Å; F93-F199 HydrophobicContact CZ-CD1 3.84Å; F93-F199 AromaticContact CZ-CG 4Å; F93-F199 HydrophobicContact CZ-CG 4Å; L174-F199 HydrophobicContact CD1-CE1 4.4Å; F177-F199 HydrophobicContact CD1-CD1 4.15Å; F177-F199 HydrophobicContact CD1-CE1 4.43Å; F177-F199 AromaticContact CE1-CD1 3.73Å; F177-F199 HydrophobicContact CE1-CD1 3.73Å; F177-F199 HydrophobicContact CE1-CE1 4.26Å; K195-F199 VanDerWaalsContact O-CB 3.3Å; K195-F199 WeakPolarHBondContact O-CB 3.2Å; K195-F199 PolarHBondContact O-N 3.35Å; V196-F199 PolarHBondContact O-N 3.33Å; F199-M201 PolarHBondContact O-N 2.99Å; F199-G202 PolarHBondContact O-N 3.14Å; F199-M203 HydrophobicContact CD1-CG 4.23Å; F199-M203 HydrophobicContact CD2-CG 4.44Å; F199-M203 HydrophobicContact CE1-CG 3.84Å; F199-M203 HydrophobicContact CE2-CG 4.06Å; F199-M203 HydrophobicContact CE2-SD 4.23Å; F199-M203 HydrophobicContact CZ-CG 3.75Å; F199-M203 HydrophobicContact CZ-SD 3.99Å; F199-M203 WeakPolarHBondContact O-CB 3.35Å; F199-M203 WeakPolarHBondContact O-CG 3.46Å; F199-M203 PolarHBondContact O-N 2.64Å
200A96.3Very high89.4Confident1 Ų166.2 Ų66.21%0.00835%0.347CS..Hα-helixtrans-60.5-45.5177.300000112.8F177 Q178 I181 V196 Y197 I198 M203 A204F177-A200 HydrophobicContact CD1-CB 3.52Å; F177-A200 HydrophobicContact CE1-CB 3.77Å; Q178-A200 HydrophobicContact CB-CB 4Å; Q178-A200 HydrophobicContact CG-CB 4.28Å; I181-A200 HydrophobicContact CD1-CB 3.85Å; V196-A200 WeakPolarHBondContact O-CB 3.36Å; V196-A200 PolarHBondContact O-N 2.94Å; Y197-A200 PolarHBondContact O-N 3.1Å; I198-A200 VanDerWaalsContact C-N 3.32Å; I198-A200 PolarHBondContact O-N 3.25Å; A200-M203 PolarHBondContact O-N 3.2Å; A200-A204 VanDerWaalsContact O-CB 3.27Å; A200-A204 WeakPolarHBondContact O-CB 3.42Å; A200-A204 PolarHBondContact O-N 3.02Å
201M94.8Very high87.5Confident92 Ų9273.5 Ų73.545%0.45337%0.374SS..Hα-helixtrans-63.6-42.2175.6-74.2-178.66600112Y197 I198 F199 A204 Q205Y197-M201 HydrophobicContact CD1-CG 3.78Å; Y197-M201 HydrophobicContact CD1-SD 3.68Å; Y197-M201 HydrophobicContact CE1-CG 3.71Å; Y197-M201 HydrophobicContact CE1-SD 3.71Å; Y197-M201 WeakPolarHBondContact O-CB 3.36Å; Y197-M201 WeakPolarHBondContact O-CG 3.5Å; Y197-M201 PolarHBondContact O-N 3.31Å; I198-M201 PolarHBondContact O-N 2.99Å; F199-M201 PolarHBondContact O-N 2.99Å; M201-A204 PolarHBondContact O-N 3.03Å; M201-Q205 WeakPolarHBondContact O-CG 3.47Å; M201-Q205 PolarHBondContact O-N 3.41Å
202G93.9Very high85.5Confident39 Ų3976.1 Ų76.140%0.40238%0.384SS..Hα-helixtrans-60.7-47176.800000111.9I198 F199 Q205 A206I198-G202 PolarHBondContact O-N 3.35Å; F199-G202 PolarHBondContact O-N 3.14Å; G202-Q205 PolarHBondContact O-N 2.67Å; G202-A206 VanDerWaalsContact O-CB 3.28Å; G202-A206 WeakPolarHBondContact O-CB 3.5Å; G202-A206 PolarHBondContact O-N 3.45Å
203M90.7Very high83.4Confident35 Ų3579.7 Ų79.717%0.17240%0.402CS..Hα-helixtrans-60.4-45.6174.5-71.9-63.3-61.400111.8L174 F199 A200 Q205 A206 F207 F208L174-M203 HydrophobicContact CD1-CE 4.04Å; L174-M203 HydrophobicContact CG-CE 4.26Å; F199-M203 HydrophobicContact CD1-CG 4.23Å; F199-M203 HydrophobicContact CD2-CG 4.44Å; F199-M203 HydrophobicContact CE1-CG 3.84Å; F199-M203 HydrophobicContact CE2-CG 4.06Å; F199-M203 HydrophobicContact CE2-SD 4.23Å; F199-M203 HydrophobicContact CZ-CG 3.75Å; F199-M203 HydrophobicContact CZ-SD 3.99Å; F199-M203 WeakPolarHBondContact O-CB 3.35Å; F199-M203 WeakPolarHBondContact O-CG 3.46Å; F199-M203 PolarHBondContact O-N 2.64Å; A200-M203 PolarHBondContact O-N 3.2Å; M203-Q205 VanDerWaalsContact C-N 3.3Å; M203-Q205 PolarHBondContact O-N 3.02Å; M203-A206 PolarHBondContact O-N 2.76Å; M203-F207 HydrophobicContact CE-CD2 3.65Å; M203-F207 HydrophobicContact CE-CE2 3.95Å; M203-F207 PolarHBondContact O-N 2.89Å; M203-F207 HydrophobicContact SD-CD2 3.93Å; M203-F207 HydrophobicContact SD-CE2 3.86Å; M203-F208 WeakPolarHBondContact O-CD2 3.37Å
204A89.1Confident81.5Confident16 Ų1683.2 Ų83.213%0.13243%0.427CS..Hα-helixtrans-59.7-37.1177.200000113.1Q178 A200 M201 F208Q178-A204 HydrophobicContact CB-CB 4.46Å; A200-A204 VanDerWaalsContact O-CB 3.27Å; A200-A204 WeakPolarHBondContact O-CB 3.42Å; A200-A204 PolarHBondContact O-N 3.02Å; M201-A204 PolarHBondContact O-N 3.03Å; A204-F208 CarbonylContact O-C 3.33Å; A204-F208 WeakPolarHBondContact O-CB 3.28Å; A204-F208 PolarHBondContact O-N 2.65Å
205Q87.1Confident79.6Confident126 Ų12685.8 Ų85.859%0.58944%0.439SS*.Hα-helixtrans-81.5-34.5178.7-69.8-66.9-9.300113.1M201 G202 M203M201-Q205 WeakPolarHBondContact O-CG 3.47Å; M201-Q205 PolarHBondContact O-N 3.41Å; G202-Q205 PolarHBondContact O-N 2.67Å; M203-Q205 VanDerWaalsContact C-N 3.3Å; M203-Q205 PolarHBondContact O-N 3.02Å
206A86.8Confident77.4Confident71 Ų7189.5 Ų89.559%0.58746%0.461SS*.Hα-helixtrans-78.9-39.5-175.200000113.1G202 M203G202-A206 VanDerWaalsContact O-CB 3.28Å; G202-A206 WeakPolarHBondContact O-CB 3.5Å; G202-A206 PolarHBondContact O-N 3.45Å; M203-A206 PolarHBondContact O-N 2.76Å
207F77.5Confident75.1Confident150 Ų15096.9 Ų96.966%0.65849%0.493SS*.THydrogen-bonded Turntrans-117.6-26.9-169.2-63.1-74.8000113.8M203M203-F207 HydrophobicContact CE-CD2 3.65Å; M203-F207 HydrophobicContact CE-CE2 3.95Å; M203-F207 PolarHBondContact O-N 2.89Å; M203-F207 HydrophobicContact SD-CD2 3.93Å; M203-F207 HydrophobicContact SD-CE2 3.86Å
208F64.3Low72.7Confident83 Ų83106.3 Ų106.336%0.36454%0.539SS..SBendtrans-102.2141179-54.9-72.2000108D175 M203 A204D175-F208 VanDerWaalsContact CA-CZ 3.45Å; D175-F208 HydrophobicContact CB-CE1 4.08Å; D175-F208 HydrophobicContact CB-CZ 3.88Å; D175-F208 WeakPolarHBondContact O-CE1 3.47Å; M203-F208 WeakPolarHBondContact O-CD2 3.37Å; A204-F208 CarbonylContact O-C 3.33Å; A204-F208 WeakPolarHBondContact O-CB 3.28Å; A204-F208 PolarHBondContact O-N 2.65Å
209K61.9Low71.4Confident195 Ų195105.8 Ų105.885%0.84854%0.537SS*.PPolyproline II helixtrans-59.7134.4176.4-71.4-176.5177.8-179.30107.4R211K209-R211 PolarHBondContact O-N 3.16Å
210P56.8Low70.1Confident61 Ų61108.6 Ų108.640%0.39655%0.553SS.*PPolyproline II helixtrans-50.5125.3172.118.6-29.2000107.3E212P210-E212 PolarHBondContact O-N 2.97Å
211R56.7Low68.6Low168 Ų168114.6 Ų114.663%0.63458%0.583SS**SBendtrans-48.2111.4173-72.2-178.7-179.3158.71.7105.6C179 D182 K209 L213C179-R211 PolarHBondContact SG-NH2 3.48Å; D182-R211 IonicContact OD2-NH1 3.46Å; D182-R211 PolarHBondContact OD2-NH1 2.84Å; D182-R211 IonicContact OD2-NH2 3.58Å; K209-R211 PolarHBondContact O-N 3.16Å; R211-L213 PolarHBondContact O-N 3.06Å
212E55.1Low67.1Low135 Ų135115.9 Ų115.963%0.63159%0.591SS**  trans-4.1113-168.9-62177.7172.700115P210 P214 K217P210-E212 PolarHBondContact O-N 2.97Å; E212-P214 WeakPolarHBondContact O-CD 3.19Å; E212-P214 VanDerWaalsContact O-N 3.07Å; E212-K217 WeakPolarHBondContact OE2-CE 3.17Å; E212-K217 IonicContact OE2-NZ 2.79Å; E212-K217 PolarHBondContact OE2-NZ 3.17Å
213L55.5Low65.4Low101 Ų101120.8 Ų120.853%0.52960%0.602SS.*  trans-55.3118.8165.2-76.5168.1000107.9R211 V215 L216R211-L213 PolarHBondContact O-N 3.06Å; L213-V215 PolarHBondContact O-N 2.98Å; L213-L216 HydrophobicContact CB-CD1 4.29Å; L213-L216 HydrophobicContact CD1-CD1 4.29Å; L213-L216 PolarHBondContact O-N 3.36Å; L213-L216 VanDerWaalsContact O-N 3.17Å
214P57.1Low63.7Low107 Ų107126.5 Ų126.570%0.69563%0.631SS**G310 helixtrans-57.9-22.2-179.3-23.832.8000112.8E212 L216E212-P214 WeakPolarHBondContact O-CD 3.19Å; E212-P214 VanDerWaalsContact O-N 3.07Å; P214-L216 VanDerWaalsContact C-N 3.27Å; P214-L216 PolarHBondContact O-N 2.79Å
215V58.5Low61.9Low129 Ų129134.4 Ų134.478%0.78267%0.667SS**G310 helixtrans-77.8-6.1-174.5-150.20000113.5L213L213-V215 PolarHBondContact O-N 2.98Å
216L52.5Low60Low140 Ų140135 Ų13573%0.73367%0.673SS**G310 helixtrans-103.15.7178.1-71.5170.7000113.9L213 P214 Q218L213-L216 HydrophobicContact CB-CD1 4.29Å; L213-L216 HydrophobicContact CD1-CD1 4.29Å; L213-L216 PolarHBondContact O-N 3.36Å; L213-L216 VanDerWaalsContact O-N 3.17Å; P214-L216 VanDerWaalsContact C-N 3.27Å; P214-L216 PolarHBondContact O-N 2.79Å; L216-Q218 VanDerWaalsContact C-N 3.34Å; L216-Q218 PolarHBondContact O-N 3.15Å; L216-Q218 VanDerWaalsContact O-N 3.15Å
217K49.2Very low57.7Low154 Ų154140.3 Ų140.367%0.6768%0.68SS**  trans-82.583.6167.6-70.3-179173.1166.50108.6E212E212-K217 WeakPolarHBondContact OE2-CE 3.17Å; E212-K217 IonicContact OE2-NZ 2.79Å; E212-K217 PolarHBondContact OE2-NZ 3.17Å
218Q47.8Very low55.9Low261 Ų261139.5 Ų139.5100%1.2268%0.682SS**  trans-84.50159.4-75.7-171.50.100109.8L216L216-Q218 VanDerWaalsContact C-N 3.34Å; L216-Q218 PolarHBondContact O-N 3.15Å; L216-Q218 VanDerWaalsContact O-N 3.15Å

Retrieved 218 of 218 residues in 490.4 ms (Link to these results)

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