A0A5K4FD55_SCHMA Loading...

EGF-like domain-containing protein

AlphaFold DB , UniProt , Accession A0A5K4FD55, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 486 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
1M50.4Low53.9Low245 Ų245153.2 Ų153.2100%1.20785%0.848SS**  0103.20-91.3167164.300107.9
2R42.1Very low54.6Low247 Ų247147.7 Ų147.793%0.93284%0.837SS**  trans-87.3108.1172.6-110.8177.4177.2160.6-1.4106.4T4R2-T4 PolarHBondContact O-N 3.04Å
3M48.6Very low56Low190 Ų190141.5 Ų141.594%0.93682%0.816SS**  trans-73.6106.5166.8-81.5172.2166.300107
4T56.6Low57.5Low135 Ų135137.9 Ų137.983%0.82880%0.797SS**  trans-79.5109.4164.728.60000107.8R2R2-T4 PolarHBondContact O-N 3.04Å
5D52.9Low59.2Low155 Ų155137 Ų13783%0.82978%0.781SS**  trans-60.9126.3169.7-105.6-34.7000109.7S7D5-S7 PolarHBondContact O-N 3.05Å
6P61.1Low60.8Low112 Ų112132.4 Ų132.473%0.72775%0.751SS**  trans-73.8108.6171.928.8-28.8000108.5S8P6-S8 PolarHBondContact O-N 3.3Å
7S56.8Low62.4Low110 Ų110130.7 Ų130.777%0.76974%0.738SS**  trans-58.596.916940.80000110.1D5 T9D5-S7 PolarHBondContact O-N 3.05Å; S7-T9 PolarHBondContact O-N 3.49Å
8S53.5Low64Low103 Ų103123.9 Ų123.972%0.7270%0.7SS**  trans-63.2101170.658.20000108.9P6 T10P6-S8 PolarHBondContact O-N 3.3Å; S8-T10 VanDerWaalsContact C-N 3.33Å; S8-T10 PolarHBondContact O-N 3.47Å
9T54.1Low65.5Low127 Ų127121.3 Ų121.378%0.77968%0.681SS**  trans-74.290.1173.1-8.80000107.2S7 T11S7-T9 PolarHBondContact O-N 3.49Å; T9-T11 VanDerWaalsContact C-N 3.33Å; T9-T11 PolarHBondContact O-N 3.25Å; T9-T11 PolarHBondContact O-OG1 3.34Å
10T56.3Low67Low130 Ų130115.2 Ų115.280%0.79865%0.647SS**  trans-62.695.6174.1-43.80000107.9S8 A12S8-T10 VanDerWaalsContact C-N 3.33Å; S8-T10 PolarHBondContact O-N 3.47Å; T10-A12 PolarHBondContact O-N 3.19Å
11T60.3Low68.4Low131 Ų131112.1 Ų112.180%0.80463%0.627SS**  trans-66.4106.6176.7-260000106.5T9 A13T9-T11 VanDerWaalsContact C-N 3.33Å; T9-T11 PolarHBondContact O-N 3.25Å; T9-T11 PolarHBondContact O-OG1 3.34Å; T11-A13 PolarHBondContact O-N 3.29Å
12A63.1Low70.6Confident87 Ų87100.5 Ų100.572%0.71957%0.57SS**  trans-57.1112178.200000108.4T10 T14T10-A12 PolarHBondContact O-N 3.19Å; A12-T14 PolarHBondContact O-N 3.47Å; A12-T14 VanDerWaalsContact O-N 3.07Å
13A72Confident73.2Confident68 Ų6889.9 Ų89.956%0.56253%0.532SS*.  trans-58.5117.1177.600000108.2T11 F15T11-A13 PolarHBondContact O-N 3.29Å; A13-F15 HydrophobicContact CB-CE2 3.8Å; A13-F15 HydrophobicContact CB-CZ 3.9Å; A13-F15 WeakPolarHBondContact O-CD2 3.49Å; A13-F15 WeakPolarHBondContact O-CE2 3.39Å; A13-F15 PolarHBondContact O-N 3.48Å
14T77.6Confident75.5Confident90 Ų9080.8 Ų80.855%0.55249%0.487SS*.  trans-79.1115.8174.938.20000107.7A12A12-T14 PolarHBondContact O-N 3.47Å; A12-T14 VanDerWaalsContact O-N 3.07Å
15F82.7Confident77.2Confident125 Ų12575.3 Ų75.355%0.54845%0.453SS..EExtended strand (participates in β ladder)trans-97.6140.9175.5-63.3-84.6000109.3A13A13-F15 HydrophobicContact CB-CE2 3.8Å; A13-F15 HydrophobicContact CB-CZ 3.9Å; A13-F15 WeakPolarHBondContact O-CD2 3.49Å; A13-F15 WeakPolarHBondContact O-CE2 3.39Å; A13-F15 PolarHBondContact O-N 3.48Å
16E85.1Confident79.2Confident64 Ų6467.9 Ų67.930%0.29941%0.413SS..EExtended strand (participates in β ladder)trans-98.5133.6169.1-75.2178.3-173.500109L119 R121 Q124E16-L119 PolarHBondContact N-O 3.22Å; E16-L119 PolarHBondContact O-N 3.4Å; E16-R121 HydrophobicContact CG-CG 4.25Å; E16-R121 VanDerWaalsContact OE1-CG 3.28Å; E16-R121 WeakPolarHBondContact OE1-CG 3.42Å; E16-R121 IonicContact OE1-NE 2.58Å; E16-R121 PolarHBondContact OE1-NE 2.99Å; E16-Q124 PolarHBondContact OE2-NE2 3.26Å
17I88.3Confident80.7Confident103 Ų10364.5 Ų64.553%0.52839%0.386SS..EExtended strand (participates in β ladder)trans-93118.1174.1-57.5176.5000107.1Q116 L117 R118I17-Q116 HydrophobicContact CG2-CB 4.05Å; I17-Q116 HydrophobicContact CG2-CG 4.01Å; I17-L117 WeakPolarHBondContact CA-O 3.43Å; I17-R118 HydrophobicContact CG1-CG 4.37Å
18S90.7Very high82.2Confident9 Ų961.3 Ų61.36%0.06336%0.36CS..EExtended strand (participates in β ladder)trans-107.6131.9172.4-65.20000109.5Q116 L117S18-Q116 CarbonylContact O-C 3.57Å; S18-Q116 WeakPolarHBondContact O-CA 3.36Å; S18-L117 PolarHBondContact N-O 3.31Å; S18-L117 PolarHBondContact O-N 3.22Å
19E93Very high83.8Confident73 Ų7357.5 Ų57.534%0.34133%0.331SS..EExtended strand (participates in β ladder)trans-104138.9177.3-171.9166.5-162.100110.7V115 Q116 P157E19-V115 WeakPolarHBondContact CA-O 3.5Å; E19-Q116 HydrophobicContact CB-CG 4.28Å; E19-Q116 HydrophobicContact CG-CG 4.23Å; E19-P157 HydrophobicContact CG-CG 4.15Å; E19-P157 WeakPolarHBondContact O-CD 3.42Å
20F94.9Very high85.1Confident0 Ų055 Ų550%031%0.31CS..EExtended strand (participates in β ladder)trans-134.8147.4178.9-63.4-91.9000109.6S114 V115 L117 P125 E127 L130 V154F20-S114 CarbonylContact O-C 3.55Å; F20-S114 WeakPolarHBondContact O-CA 3.41Å; F20-V115 PolarHBondContact N-O 3.02Å; F20-V115 PolarHBondContact O-N 3.22Å; F20-L117 HydrophobicContact CD2-CD1 3.93Å; F20-L117 HydrophobicContact CD2-CG 4.17Å; F20-L117 HydrophobicContact CE2-CD1 3.69Å; F20-L117 HydrophobicContact CE2-CG 4.23Å; F20-P125 HydrophobicContact CZ-CG 4.26Å; F20-E127 HydrophobicContact CE1-CG 4.42Å; F20-L130 HydrophobicContact CB-CD2 3.86Å; F20-L130 HydrophobicContact CD1-CD2 3.78Å; F20-L130 HydrophobicContact CD2-CD2 3.71Å; F20-L130 HydrophobicContact CE1-CD2 4.19Å; F20-L130 HydrophobicContact CE2-CD2 4.14Å; F20-L130 HydrophobicContact CG-CD2 3.5Å; F20-L130 HydrophobicContact CZ-CD2 4.35Å; F20-V154 HydrophobicContact CB-CG1 4.34Å; F20-V154 HydrophobicContact CD1-CG1 4.09Å
21E96.2Very high86.3Confident50 Ų5052.3 Ų52.323%0.23429%0.291CS..EExtended strand (participates in β ladder)trans-104.2130.8165.7-73.8-175.5-169.800109.3I112 V113 V154 Y155 P157E21-I112 HydrophobicContact CB-CG2 4.21Å; E21-I112 HydrophobicContact CG-CG2 4.37Å; E21-V113 CarbonylContact C-O 3.58Å; E21-V113 WeakPolarHBondContact CA-O 3.42Å; E21-V154 WeakPolarHBondContact O-CA 3.47Å; E21-Y155 HydrophobicContact CB-CD2 4.04Å; E21-Y155 HydrophobicContact CB-CE1 4.19Å; E21-Y155 HydrophobicContact CB-CE2 3.49Å; E21-Y155 VanDerWaalsContact CB-CE2 3.49Å; E21-Y155 HydrophobicContact CG-CE2 4.16Å; E21-Y155 PolarHBondContact N-O 3.07Å; E21-Y155 PolarHBondContact O-N 2.66Å; E21-Y155 WeakPolarHBondContact OE2-CE2 3.43Å; E21-Y155 PolarHBondContact OE2-OH 2.95Å; E21-P157 HydrophobicContact CG-CG 4.24Å
22V97.1Very high87.5Confident1 Ų152.1 Ų52.11%0.00628%0.279CS..EExtended strand (participates in β ladder)trans-112.5113.4177.8-171.90000108M24 L60 I112 V113 V115 L134 I152 T153 V154V22-M24 HydrophobicContact CG1-CE 4.39Å; V22-M24 HydrophobicContact CG1-CG 3.74Å; V22-M24 HydrophobicContact CG1-SD 3.65Å; V22-L60 HydrophobicContact CB-CD1 3.92Å; V22-L60 HydrophobicContact CG1-CD1 3.88Å; V22-L60 HydrophobicContact CG2-CD1 4.14Å; V22-I112 CarbonylContact O-C 3.56Å; V22-I112 WeakPolarHBondContact O-CA 3.34Å; V22-V113 PolarHBondContact N-O 3.14Å; V22-V113 PolarHBondContact O-N 3.1Å; V22-V115 HydrophobicContact CG2-CG2 3.92Å; V22-L134 HydrophobicContact CG1-CD1 3.9Å; V22-L134 HydrophobicContact CG2-CD1 4.08Å; V22-I152 HydrophobicContact CG1-CG2 3.81Å; V22-T153 CarbonylContact C-O 3.42Å; V22-T153 WeakPolarHBondContact CA-O 3.48Å; V22-V154 HydrophobicContact CG1-CG2 4.26Å; V22-V154 HydrophobicContact CG2-CG2 4.3Å
23D95.6Very high88.6Confident24 Ų2450.7 Ų50.713%0.12826%0.261CS..EExtended strand (participates in β ladder)trans-105.1129.5-179.4166.931.1000110.3R110 V111 I112 I152 T153 Y155D23-R110 VanDerWaalsContact CG-NE 3.28Å; D23-R110 WeakPolarHBondContact OD1-CG 3.42Å; D23-R110 IonicContact OD1-CZ 3.92Å; D23-R110 IonicContact OD1-NE 2.94Å; D23-R110 PolarHBondContact OD1-NE 3.17Å; D23-R110 IonicContact OD1-NH2 2.7Å; D23-R110 PolarHBondContact OD1-NH2 3.17Å; D23-R110 IonicContact OD2-CZ 3.38Å; D23-R110 VanDerWaalsContact OD2-CZ 3.3Å; D23-R110 IonicContact OD2-NE 3.33Å; D23-R110 PolarHBondContact OD2-NE 3.4Å; D23-R110 IonicContact OD2-NH2 3.17Å; D23-R110 PolarHBondContact OD2-NH2 2.91Å; D23-V111 WeakPolarHBondContact CA-O 3.04Å; D23-I112 HydrophobicContact CB-CG1 4.35Å; D23-I152 WeakPolarHBondContact O-CA 3.2Å; D23-T153 VanDerWaalsContact CB-OG1 3.31Å; D23-T153 WeakPolarHBondContact CB-OG1 3.3Å; D23-T153 PolarHBondContact N-O 3.15Å; D23-T153 PolarHBondContact O-N 3.44Å; D23-T153 PolarHBondContact O-OG1 3.39Å; D23-T153 PolarHBondContact OD2-OG1 3.02Å; D23-Y155 HydrophobicContact CB-CE1 3.9Å
24M96.8Very high89.5Confident0 Ų047.6 Ų47.60%024%0.235CC..EExtended strand (participates in β ladder)trans-149.5157.5-167.1-41.7-177.8-77.800111.4V22 I56 L60 R110 V111 V113 L149 I152V22-M24 HydrophobicContact CG1-CE 4.39Å; V22-M24 HydrophobicContact CG1-CG 3.74Å; V22-M24 HydrophobicContact CG1-SD 3.65Å; M24-I56 HydrophobicContact CE-CG2 3.97Å; M24-L60 HydrophobicContact CE-CD1 3.68Å; M24-L60 HydrophobicContact SD-CD1 4.08Å; M24-R110 WeakPolarHBondContact O-CA 3.1Å; M24-V111 HydrophobicContact CB-CG1 3.92Å; M24-V111 HydrophobicContact CE-CG1 3.8Å; M24-V111 PolarHBondContact N-O 3.46Å; M24-V111 PolarHBondContact O-N 3.34Å; M24-V113 HydrophobicContact CE-CG2 3.76Å; M24-L149 HydrophobicContact CB-CD2 4.42Å; M24-L149 HydrophobicContact CE-CD1 3.94Å; M24-L149 HydrophobicContact CE-CD2 3.63Å; M24-L149 HydrophobicContact CE-CG 4.31Å; M24-L149 HydrophobicContact SD-CB 4.03Å; M24-L149 HydrophobicContact SD-CD1 3.63Å; M24-L149 HydrophobicContact SD-CD2 3.82Å; M24-L149 HydrophobicContact SD-CG 3.99Å; M24-I152 HydrophobicContact CG-CG1 4.17Å; M24-I152 HydrophobicContact CG-CG2 4.31Å; M24-I152 HydrophobicContact SD-CG1 4.21Å; M24-I152 HydrophobicContact SD-CG2 4.49Å
25L93.6Very high90.2Very high19 Ų1944.9 Ų44.910%0.09922%0.217CC..EExtended strand (participates in β ladder)trans-101.4135.8165.5-73.6173000110.8Y27 I85 I87 R110 R150 N151L25-Y27 HydrophobicContact CB-CD2 4.18Å; L25-Y27 HydrophobicContact CB-CE2 3.77Å; L25-Y27 HydrophobicContact CD1-CE2 4.37Å; L25-I85 HydrophobicContact CD2-CD1 3.46Å; L25-I85 VanDerWaalsContact CD2-CD1 3.46Å; L25-I85 HydrophobicContact CD2-CG1 4.36Å; L25-I87 HydrophobicContact CD1-CD1 3.93Å; L25-I87 HydrophobicContact CD2-CD1 3.96Å; L25-R110 HydrophobicContact CD2-CB 4.09Å; L25-R150 PolarHBondContact N-O 3.34Å; L25-R150 PolarHBondContact O-N 3.04Å; L25-N151 HydrophobicContact CD1-CB 4.17Å; L25-N151 WeakPolarHBondContact CD1-ND2 3.29Å; L25-N151 HydrophobicContact CG-CB 4.49Å
26I94.8Very high90.6Very high0 Ų042 Ų420%021%0.207CC..EExtended strand (participates in β ladder)trans-89126.1175.4-53.1-178.8000108.8M35 L52 I56 F82 V109 V111 P147I26-M35 HydrophobicContact CB-CB 4.14Å; I26-M35 HydrophobicContact CG2-CB 3.9Å; I26-M35 HydrophobicContact CG2-SD 3.81Å; I26-M35 PolarHBondContact O-N 2.9Å; I26-L52 HydrophobicContact CD1-CD2 4.09Å; I26-L52 HydrophobicContact CD1-CG 4.44Å; I26-I56 HydrophobicContact CD1-CD1 3.7Å; I26-I56 HydrophobicContact CD1-CG1 4.04Å; I26-I56 HydrophobicContact CG1-CD1 4.01Å; I26-I56 HydrophobicContact CG2-CD1 4.47Å; I26-F82 HydrophobicContact CD1-CD1 4.12Å; I26-F82 HydrophobicContact CD1-CE1 3.79Å; I26-V109 HydrophobicContact CB-CB 4.44Å; I26-V109 HydrophobicContact CD1-CB 4.38Å; I26-V109 HydrophobicContact CD1-CG1 3.75Å; I26-V109 HydrophobicContact CG1-CG1 4.35Å; I26-V109 PolarHBondContact N-O 3.36Å; I26-V109 VanDerWaalsContact N-O 3.12Å; I26-V111 HydrophobicContact CD1-CB 4.08Å; I26-V111 HydrophobicContact CD1-CG1 4.03Å; I26-V111 HydrophobicContact CG1-CB 4.28Å; I26-V111 HydrophobicContact CG1-CG1 3.79Å; I26-P147 HydrophobicContact CG2-CB 3.78Å
27Y92.9Very high91Very high40 Ų4040.7 Ų40.716%0.15720%0.199CC..EExtended strand (participates in β ladder)trans-112.8152.1172.8-81.4-110.3000110L25 V33 P34 P147 S148 R150L25-Y27 HydrophobicContact CB-CD2 4.18Å; L25-Y27 HydrophobicContact CB-CE2 3.77Å; L25-Y27 HydrophobicContact CD1-CE2 4.37Å; Y27-V33 WeakPolarHBondContact CA-O 3.35Å; Y27-V33 WeakPolarHBondContact CD1-O 3.45Å; Y27-P34 HydrophobicContact CD1-CG 4.38Å; Y27-P34 HydrophobicContact CE1-CB 4.49Å; Y27-P34 HydrophobicContact CE1-CG 3.76Å; Y27-P34 HydrophobicContact CE2-CG 4.44Å; Y27-P147 CarbonylContact O-C 3.57Å; Y27-P147 VanDerWaalsContact O-CA 3.31Å; Y27-P147 WeakPolarHBondContact O-CA 3.19Å; Y27-S148 WeakPolarHBondContact CB-OG 3.42Å; Y27-S148 PolarHBondContact N-O 3.24Å; Y27-S148 PolarHBondContact O-N 3.21Å; Y27-R150 HydrophobicContact CD2-CB 3.65Å; Y27-R150 HydrophobicContact CD2-CG 3.67Å; Y27-R150 HydrophobicContact CE2-CB 3.69Å; Y27-R150 HydrophobicContact CE2-CG 4.08Å; Y27-R150 HydrophobicContact CG-CG 4.04Å
28I88.7Confident91.1Very high43 Ų4336.9 Ų36.922%0.22118%0.182CC..EExtended strand (participates in β ladder)trans-91.7104.7167.9-61.2175.6000106.1E30 L31 K32 V33 M35I28-E30 VanDerWaalsContact C-N 3.29Å; I28-E30 HydrophobicContact CG2-CG 3.82Å; I28-E30 WeakPolarHBondContact CG2-OE1 3.34Å; I28-E30 PolarHBondContact O-N 3.09Å; I28-L31 HydrophobicContact CB-CB 4.38Å; I28-L31 HydrophobicContact CG2-CB 4.11Å; I28-L31 HydrophobicContact CG2-CD1 4.09Å; I28-L31 HydrophobicContact CG2-CG 3.96Å; I28-L31 CarbonylContact O-C 3.57Å; I28-L31 PolarHBondContact O-N 3.31Å; I28-K32 PolarHBondContact O-N 3.25Å; I28-V33 PolarHBondContact N-O 3.35Å; I28-M35 HydrophobicContact CD1-CB 4.49Å; I28-M35 HydrophobicContact CD1-CG 4.4Å; I28-M35 HydrophobicContact CG1-CB 4.11Å; I28-M35 HydrophobicContact CG1-CG 4.33Å
29E86Confident91Very high24 Ų2439.7 Ų39.711%0.11220%0.202CC..THydrogen-bonded Turntrans-64.1-34.7-164.6-169.456.6-15900112.9L31 K32 I143 G146 S148 R150E29-L31 VanDerWaalsContact C-N 3.28Å; E29-L31 PolarHBondContact O-N 3.08Å; E29-K32 WeakPolarHBondContact O-CD 3.47Å; E29-K32 WeakPolarHBondContact O-CE 3.45Å; E29-K32 PolarHBondContact O-N 3.43Å; E29-K32 PolarHBondContact O-NZ 3.49Å; E29-K32 IonicContact OE1-NZ 3.12Å; E29-K32 PolarHBondContact OE1-NZ 3.03Å; E29-I143 HydrophobicContact CB-CG2 4.38Å; E29-I143 HydrophobicContact CG-CG2 4.47Å; E29-I143 WeakPolarHBondContact CG-O 3.21Å; E29-G146 PolarHBondContact N-O 3.1Å; E29-S148 VanDerWaalsContact OE2-CB 3.25Å; E29-S148 WeakPolarHBondContact OE2-CB 3.35Å; E29-S148 PolarHBondContact OE2-OG 3.42Å; E29-R150 IonicContact OE1-NH2 2.85Å; E29-R150 PolarHBondContact OE1-NH2 3.11Å; E29-R150 VanDerWaalsContact OE1-NH2 3.12Å; E29-R150 IonicContact OE2-CZ 2.64Å; E29-R150 IonicContact OE2-NE 3.13Å; E29-R150 IonicContact OE2-NH2 3.42Å; E29-R150 PolarHBondContact OE2-NH2 2.96Å
30E82Confident90.7Very high74 Ų7440.1 Ų40.135%0.34621%0.206SC..THydrogen-bonded Turntrans-66.7-29.3176.660.9-87.5-158.900112.9I28 S145 G146I28-E30 VanDerWaalsContact C-N 3.29Å; I28-E30 HydrophobicContact CG2-CG 3.82Å; I28-E30 WeakPolarHBondContact CG2-OE1 3.34Å; I28-E30 PolarHBondContact O-N 3.09Å; E30-S145 WeakPolarHBondContact OE2-CA 3.47Å; E30-G146 PolarHBondContact OE2-N 2.92Å
31L80.8Confident90.7Very high74 Ų7440.2 Ų40.239%0.38721%0.207SC..THydrogen-bonded Turntrans-98.8-13.9179.6-63.3-176.2000112.6I28 E29 V33I28-L31 HydrophobicContact CB-CB 4.38Å; I28-L31 HydrophobicContact CG2-CB 4.11Å; I28-L31 HydrophobicContact CG2-CD1 4.09Å; I28-L31 HydrophobicContact CG2-CG 3.96Å; I28-L31 CarbonylContact O-C 3.57Å; I28-L31 PolarHBondContact O-N 3.31Å; E29-L31 VanDerWaalsContact C-N 3.28Å; E29-L31 PolarHBondContact O-N 3.08Å; L31-V33 HydrophobicContact CB-CG2 3.67Å; L31-V33 HydrophobicContact CD1-CG2 4.22Å; L31-V33 PolarHBondContact O-N 3.09Å; L31-V33 VanDerWaalsContact O-N 3.15Å
32K86.6Confident90.5Very high126 Ų12642.1 Ų42.155%0.54823%0.225SC..THydrogen-bonded Turntrans53.127.9-172.5-51.2-67.4172.9-179.80113.3I28 E29I28-K32 PolarHBondContact O-N 3.25Å; E29-K32 WeakPolarHBondContact O-CD 3.47Å; E29-K32 WeakPolarHBondContact O-CE 3.45Å; E29-K32 PolarHBondContact O-N 3.43Å; E29-K32 PolarHBondContact O-NZ 3.49Å; E29-K32 IonicContact OE1-NZ 3.12Å; E29-K32 PolarHBondContact OE1-NZ 3.03Å
33V86.6Confident90Very high58 Ų5845.7 Ų45.735%0.35225%0.245SC..EExtended strand (participates in β ladder)trans-115.7152.1176.8-60.50000110.9Y27 I28 L31Y27-V33 WeakPolarHBondContact CA-O 3.35Å; Y27-V33 WeakPolarHBondContact CD1-O 3.45Å; I28-V33 PolarHBondContact N-O 3.35Å; L31-V33 HydrophobicContact CB-CG2 3.67Å; L31-V33 HydrophobicContact CD1-CG2 4.22Å; L31-V33 PolarHBondContact O-N 3.09Å; L31-V33 VanDerWaalsContact O-N 3.15Å
34P89.8Confident89.8Confident3 Ų350 Ų502%0.01926%0.264CS..EExtended strand (participates in β ladder)trans-55.6142.9170.7-21.832.1000111.2Y27 N36 I87 I89 A108Y27-P34 HydrophobicContact CD1-CG 4.38Å; Y27-P34 HydrophobicContact CE1-CB 4.49Å; Y27-P34 HydrophobicContact CE1-CG 3.76Å; Y27-P34 HydrophobicContact CE2-CG 4.44Å; P34-N36 PolarHBondContact O-N 3.19Å; P34-I87 HydrophobicContact CB-CD1 4.15Å; P34-I87 HydrophobicContact CG-CD1 4.07Å; P34-I89 HydrophobicContact CG-CD1 4.19Å; P34-A108 HydrophobicContact CB-CB 3.72Å
35M91.6Very high89.4Confident33 Ų3353.2 Ų53.216%0.16329%0.286CS..PPolyproline II helixtrans-65.6126.9173.9-175.9178.2-170.700109.4I26 I28 M48 L52 A108 V109I26-M35 HydrophobicContact CB-CB 4.14Å; I26-M35 HydrophobicContact CG2-CB 3.9Å; I26-M35 HydrophobicContact CG2-SD 3.81Å; I26-M35 PolarHBondContact O-N 2.9Å; I28-M35 HydrophobicContact CD1-CB 4.49Å; I28-M35 HydrophobicContact CD1-CG 4.4Å; I28-M35 HydrophobicContact CG1-CB 4.11Å; I28-M35 HydrophobicContact CG1-CG 4.33Å; M35-M48 HydrophobicContact CE-CE 3.72Å; M35-L52 HydrophobicContact CE-CD1 4.44Å; M35-L52 HydrophobicContact CE-CD2 3.99Å; M35-L52 HydrophobicContact SD-CD1 4.3Å; M35-L52 HydrophobicContact SD-CD2 3.89Å; M35-A108 CarbonylContact O-C 3.48Å; M35-A108 VanDerWaalsContact O-CA 3.3Å; M35-A108 WeakPolarHBondContact O-CA 3.05Å; M35-V109 HydrophobicContact CB-CB 4.48Å; M35-V109 HydrophobicContact CB-CG2 4.3Å; M35-V109 HydrophobicContact CG-CG2 4.12Å; M35-V109 PolarHBondContact O-N 2.92Å; M35-V109 HydrophobicContact SD-CG2 4.36Å
36N91.4Very high89.3Confident65 Ų6553 Ų5335%0.34829%0.286SS..BIsolated β-bridgetrans-64.6140.7176.2-81.8-3.3000111.2P34 I106 E107P34-N36 PolarHBondContact O-N 3.19Å; N36-I106 WeakPolarHBondContact OD1-CG2 3.46Å; N36-E107 CarbonylContact C-O 3.51Å; N36-E107 WeakPolarHBondContact CA-O 3.28Å
37W94Very high88.8Confident35 Ų3558 Ų5813%0.13332%0.317CS..PPolyproline II helixtrans-62.5141.3173.2177.4-101.7000111.7L41 F82 R84 E107 V109W37-L41 HydrophobicContact CE3-CB 4.32Å; W37-L41 HydrophobicContact CE3-CD1 4.28Å; W37-L41 HydrophobicContact CH2-CB 3.72Å; W37-L41 HydrophobicContact CZ2-CB 4.26Å; W37-L41 HydrophobicContact CZ3-CB 3.76Å; W37-L41 HydrophobicContact CZ3-CD1 4.34Å; W37-F82 HydrophobicContact CH2-CB 4.44Å; W37-F82 HydrophobicContact CZ3-CB 3.97Å; W37-R84 HydrophobicContact CB-CG 4.09Å; W37-R84 HydrophobicContact CD2-CB 3.53Å; W37-R84 HydrophobicContact CD2-CG 3.76Å; W37-R84 HydrophobicContact CE3-CB 3.75Å; W37-R84 HydrophobicContact CE3-CG 4.35Å; W37-R84 HydrophobicContact CG-CB 3.95Å; W37-R84 HydrophobicContact CG-CG 3.57Å; W37-R84 HydrophobicContact CH2-CB 4.3Å; W37-R84 HydrophobicContact CZ2-CB 4.09Å; W37-R84 HydrophobicContact CZ3-CB 4.13Å; W37-E107 HydrophobicContact CB-CB 4.05Å; W37-E107 PolarHBondContact N-O 2.86Å; W37-V109 HydrophobicContact CE3-CG2 4.16Å
38S90.9Very high88.6Confident23 Ų2358.9 Ų58.916%0.16132%0.323CS..  trans-124.2140169.9171.30000109.4D40 L41 M48S38-D40 PolarHBondContact O-N 2.79Å; S38-D40 PolarHBondContact OG-N 2.92Å; S38-L41 WeakPolarHBondContact O-CB 3.49Å; S38-L41 PolarHBondContact O-N 2.94Å; S38-M48 PolarHBondContact OG-SD 2.94Å
39S88.8Confident89Confident69 Ų6957.7 Ų57.748%0.48332%0.316SS..G310 helixtrans-58.4-28.4174.5510000112.4L41 S42S39-L41 PolarHBondContact O-N 3.47Å; S39-S42 PolarHBondContact O-N 3.11Å; S39-S42 PolarHBondContact O-OG 3.45Å
40D86.8Confident89.2Confident81 Ų8163.1 Ų63.143%0.43334%0.335SS..G310 helixtrans-63.3-23.1178.1-66.6-24.1000112.6S38 S42 N43 S46 M48S38-D40 PolarHBondContact O-N 2.79Å; S38-D40 PolarHBondContact OG-N 2.92Å; D40-S42 VanDerWaalsContact C-N 3.25Å; D40-S42 PolarHBondContact O-N 3.47Å; D40-N43 PolarHBondContact O-N 3.43Å; D40-S46 WeakPolarHBondContact O-CB 3.37Å; D40-S46 PolarHBondContact O-OG 3.38Å; D40-M48 HydrophobicContact CB-CB 3.99Å; D40-M48 HydrophobicContact CB-SD 4.07Å
41L93.3Very high89.8Confident2 Ų264.7 Ų64.71%0.0135%0.346CS..G310 helixtrans-75.6-10175.3-61.9178000113.5W37 S38 S39 M48 Y49 L52 F82 V109W37-L41 HydrophobicContact CE3-CB 4.32Å; W37-L41 HydrophobicContact CE3-CD1 4.28Å; W37-L41 HydrophobicContact CH2-CB 3.72Å; W37-L41 HydrophobicContact CZ2-CB 4.26Å; W37-L41 HydrophobicContact CZ3-CB 3.76Å; W37-L41 HydrophobicContact CZ3-CD1 4.34Å; S38-L41 WeakPolarHBondContact O-CB 3.49Å; S38-L41 PolarHBondContact O-N 2.94Å; S39-L41 PolarHBondContact O-N 3.47Å; L41-M48 HydrophobicContact CD1-CE 4.33Å; L41-M48 HydrophobicContact CD2-CE 4.34Å; L41-M48 HydrophobicContact CD2-CG 3.99Å; L41-M48 HydrophobicContact CD2-SD 4.41Å; L41-M48 HydrophobicContact CG-CE 4.26Å; L41-M48 HydrophobicContact CG-SD 4.41Å; L41-Y49 WeakPolarHBondContact O-CD2 3.32Å; L41-Y49 WeakPolarHBondContact O-CE2 3.34Å; L41-L52 HydrophobicContact CD1-CD2 4.11Å; L41-L52 HydrophobicContact CD2-CB 4.46Å; L41-L52 HydrophobicContact CD2-CD2 3.71Å; L41-F82 HydrophobicContact CB-CB 4.12Å; L41-F82 HydrophobicContact CB-CD2 4.34Å; L41-F82 HydrophobicContact CB-CG 4.42Å; L41-F82 HydrophobicContact CD2-CD2 3.95Å; L41-F82 HydrophobicContact CD2-CE2 4.16Å; L41-F82 HydrophobicContact CD2-CG 4.37Å; L41-V109 HydrophobicContact CD1-CG1 4.05Å; L41-V109 HydrophobicContact CD1-CG2 3.61Å
42S91.7Very high90.4Very high90 Ų9062 Ų6263%0.62933%0.332SS*.G310 helixtrans-83.7-14.1167.962.80000113.1S39 D40S39-S42 PolarHBondContact O-N 3.11Å; S39-S42 PolarHBondContact O-OG 3.45Å; D40-S42 VanDerWaalsContact C-N 3.25Å; D40-S42 PolarHBondContact O-N 3.47Å
43N88.2Confident90.9Very high77 Ų7757 Ų5741%0.41231%0.313SS..  trans-107.2103.8-179.8-179.12.3000110.2D40 S45 S46 Y49D40-N43 PolarHBondContact O-N 3.43Å; N43-S45 VanDerWaalsContact CG-OG 3.26Å; N43-S45 PolarHBondContact ND2-OG 3.12Å; N43-S45 PolarHBondContact O-N 3.34Å; N43-S45 WeakPolarHBondContact OD1-CB 3.36Å; N43-S45 PolarHBondContact OD1-N 2.95Å; N43-S45 PolarHBondContact OD1-OG 3.22Å; N43-S46 VanDerWaalsContact O-CB 3.28Å; N43-S46 WeakPolarHBondContact O-CB 3.32Å; N43-S46 PolarHBondContact O-N 3.41Å; N43-S46 PolarHBondContact O-OG 3.39Å; N43-S46 VanDerWaalsContact O-OG 3.12Å; N43-Y49 VanDerWaalsContact O-CB 3.32Å; N43-Y49 WeakPolarHBondContact O-CB 3.36Å
44Q90.5Very high91.3Very high114 Ų11458 Ų5853%0.53332%0.319SS..THydrogen-bonded Turntrans-57-23178.6-60.1-170.4-15.900113.7Y49Q44-Y49 HydrophobicContact CB-CD1 4.35Å; Q44-Y49 HydrophobicContact CB-CE1 4.17Å; Q44-Y49 HydrophobicContact CB-CE2 4.41Å; Q44-Y49 HydrophobicContact CG-CD2 4.45Å; Q44-Y49 HydrophobicContact CG-CE1 4.09Å; Q44-Y49 HydrophobicContact CG-CE2 3.83Å
45S89.5Confident91.5Very high67 Ų6760.1 Ų60.147%0.46933%0.334SS..THydrogen-bonded Turntrans-82.4-12.5177.573.40000113.8N43 R50N43-S45 VanDerWaalsContact CG-OG 3.26Å; N43-S45 PolarHBondContact ND2-OG 3.12Å; N43-S45 PolarHBondContact O-N 3.34Å; N43-S45 WeakPolarHBondContact OD1-CB 3.36Å; N43-S45 PolarHBondContact OD1-N 2.95Å; N43-S45 PolarHBondContact OD1-OG 3.22Å; S45-R50 PolarHBondContact O-NE 3.42Å; S45-R50 PolarHBondContact O-NH2 3.24Å
46S89.6Confident91.8Very high14 Ų1458.5 Ų58.510%0.09833%0.326CS..SBendtrans-67.7149.4-177.885.70000111.8D40 N43 M48 Y49 R50D40-S46 WeakPolarHBondContact O-CB 3.37Å; D40-S46 PolarHBondContact O-OG 3.38Å; N43-S46 VanDerWaalsContact O-CB 3.28Å; N43-S46 WeakPolarHBondContact O-CB 3.32Å; N43-S46 PolarHBondContact O-N 3.41Å; N43-S46 PolarHBondContact O-OG 3.39Å; N43-S46 VanDerWaalsContact O-OG 3.12Å; S46-M48 VanDerWaalsContact C-N 3.28Å; S46-M48 PolarHBondContact O-N 3.31Å; S46-Y49 PolarHBondContact O-N 3.43Å; S46-Y49 VanDerWaalsContact OG-CB 3.25Å; S46-Y49 WeakPolarHBondContact OG-CB 3.44Å; S46-Y49 PolarHBondContact OG-N 3.18Å; S46-R50 WeakPolarHBondContact O-CG 3.3Å; S46-R50 PolarHBondContact O-N 2.9Å; S46-R50 VanDerWaalsContact O-N 3.14Å
47V85.1Confident92.1Very high105 Ų10556.5 Ų56.564%0.63632%0.317SS*.Hα-helixtrans-63-39177.3177.50000110.6R50 N51V47-R50 PolarHBondContact O-N 3.43Å; V47-N51 WeakPolarHBondContact O-CB 3.03Å; V47-N51 VanDerWaalsContact O-CG 3.23Å; V47-N51 PolarHBondContact O-N 2.95Å
48M89.5Confident92.1Very high59 Ų5958.4 Ų58.429%0.29133%0.33SS..Hα-helixtrans-62.7-44.8177.9-173.2177.3-179.500111.6M35 S38 D40 L41 S46 L52M35-M48 HydrophobicContact CE-CE 3.72Å; S38-M48 PolarHBondContact OG-SD 2.94Å; D40-M48 HydrophobicContact CB-CB 3.99Å; D40-M48 HydrophobicContact CB-SD 4.07Å; L41-M48 HydrophobicContact CD1-CE 4.33Å; L41-M48 HydrophobicContact CD2-CE 4.34Å; L41-M48 HydrophobicContact CD2-CG 3.99Å; L41-M48 HydrophobicContact CD2-SD 4.41Å; L41-M48 HydrophobicContact CG-CE 4.26Å; L41-M48 HydrophobicContact CG-SD 4.41Å; S46-M48 VanDerWaalsContact C-N 3.28Å; S46-M48 PolarHBondContact O-N 3.31Å; M48-L52 VanDerWaalsContact O-CB 3.27Å; M48-L52 WeakPolarHBondContact O-CB 3.28Å; M48-L52 PolarHBondContact O-N 3.49Å
49Y95.5Very high92.4Very high19 Ų1958.5 Ų58.58%0.07533%0.328CS..Hα-helixtrans-58.8-51.6176.6-171.2-74.2000111.1L41 N43 Q44 S46 L52 S53 V80 F82L41-Y49 WeakPolarHBondContact O-CD2 3.32Å; L41-Y49 WeakPolarHBondContact O-CE2 3.34Å; N43-Y49 VanDerWaalsContact O-CB 3.32Å; N43-Y49 WeakPolarHBondContact O-CB 3.36Å; Q44-Y49 HydrophobicContact CB-CD1 4.35Å; Q44-Y49 HydrophobicContact CB-CE1 4.17Å; Q44-Y49 HydrophobicContact CB-CE2 4.41Å; Q44-Y49 HydrophobicContact CG-CD2 4.45Å; Q44-Y49 HydrophobicContact CG-CE1 4.09Å; Q44-Y49 HydrophobicContact CG-CE2 3.83Å; S46-Y49 PolarHBondContact O-N 3.43Å; S46-Y49 VanDerWaalsContact OG-CB 3.25Å; S46-Y49 WeakPolarHBondContact OG-CB 3.44Å; S46-Y49 PolarHBondContact OG-N 3.18Å; Y49-L52 PolarHBondContact O-N 2.93Å; Y49-S53 VanDerWaalsContact O-CB 3.23Å; Y49-S53 WeakPolarHBondContact O-CB 3.37Å; Y49-S53 PolarHBondContact O-N 3.24Å; Y49-S53 PolarHBondContact O-OG 2.94Å; Y49-V80 PolarHBondContact OH-O 2.8Å; Y49-F82 HydrophobicContact CD1-CE2 4.25Å; Y49-F82 AromaticContact CD2-CD2 3.63Å; Y49-F82 HydrophobicContact CD2-CD2 3.63Å; Y49-F82 HydrophobicContact CD2-CE2 4.02Å; Y49-F82 HydrophobicContact CE1-CD2 4.5Å; Y49-F82 HydrophobicContact CE1-CE2 4.27Å; Y49-F82 AromaticContact CE2-CD2 3.51Å; Y49-F82 HydrophobicContact CE2-CD2 3.51Å; Y49-F82 HydrophobicContact CE2-CE2 4.07Å; Y49-F82 HydrophobicContact CG-CD2 4.19Å; Y49-F82 HydrophobicContact CG-CE2 4.1Å; Y49-F82 AromaticContact CZ-CD2 3.96Å
50R92.1Very high92.7Very high138 Ų13855.2 Ų55.252%0.52131%0.305SS..Hα-helixtrans-61.3-50.8-177.6-65.2179-150.2-123.18.8111.1S45 S46 V47 L52 S53 T54S45-R50 PolarHBondContact O-NE 3.42Å; S45-R50 PolarHBondContact O-NH2 3.24Å; S46-R50 WeakPolarHBondContact O-CG 3.3Å; S46-R50 PolarHBondContact O-N 2.9Å; S46-R50 VanDerWaalsContact O-N 3.14Å; V47-R50 PolarHBondContact O-N 3.43Å; R50-L52 PolarHBondContact O-N 3.37Å; R50-S53 WeakPolarHBondContact CA-OG 3.45Å; R50-S53 PolarHBondContact O-N 2.93Å; R50-S53 PolarHBondContact O-OG 3.2Å; R50-T54 PolarHBondContact O-N 3.38Å; R50-T54 PolarHBondContact O-OG1 2.94Å
51N93.2Very high93.1Very high107 Ų10753.4 Ų53.457%0.57230%0.296SS*.Hα-helixtrans-60.6-45.6-179.2-71-3.8000111.8V47 S55V47-N51 WeakPolarHBondContact O-CB 3.03Å; V47-N51 VanDerWaalsContact O-CG 3.23Å; V47-N51 PolarHBondContact O-N 2.95Å; N51-S55 WeakPolarHBondContact O-CB 3.49Å; N51-S55 PolarHBondContact O-N 3.24Å
52L94.7Very high93.2Very high16 Ų1657 Ų578%0.08432%0.315CS..Hα-helixtrans-67.7-39.8178.2-171.261.8000111.2I26 M35 L41 M48 Y49 R50 T54 S55 I56 F82 P147I26-L52 HydrophobicContact CD1-CD2 4.09Å; I26-L52 HydrophobicContact CD1-CG 4.44Å; M35-L52 HydrophobicContact CE-CD1 4.44Å; M35-L52 HydrophobicContact CE-CD2 3.99Å; M35-L52 HydrophobicContact SD-CD1 4.3Å; M35-L52 HydrophobicContact SD-CD2 3.89Å; L41-L52 HydrophobicContact CD1-CD2 4.11Å; L41-L52 HydrophobicContact CD2-CB 4.46Å; L41-L52 HydrophobicContact CD2-CD2 3.71Å; M48-L52 VanDerWaalsContact O-CB 3.27Å; M48-L52 WeakPolarHBondContact O-CB 3.28Å; M48-L52 PolarHBondContact O-N 3.49Å; Y49-L52 PolarHBondContact O-N 2.93Å; R50-L52 PolarHBondContact O-N 3.37Å; L52-T54 PolarHBondContact O-N 2.91Å; L52-S55 PolarHBondContact O-N 3.23Å; L52-I56 HydrophobicContact CD1-CG1 4.15Å; L52-I56 HydrophobicContact CG-CG1 4.21Å; L52-I56 WeakPolarHBondContact O-CB 3.29Å; L52-I56 WeakPolarHBondContact O-CG1 3.31Å; L52-I56 PolarHBondContact O-N 3.43Å; L52-F82 HydrophobicContact CB-CE2 4.36Å; L52-F82 HydrophobicContact CB-CZ 3.89Å; L52-F82 HydrophobicContact CD2-CD1 4.26Å; L52-F82 HydrophobicContact CD2-CE1 3.69Å; L52-F82 HydrophobicContact CD2-CE2 4.37Å; L52-F82 HydrophobicContact CD2-CZ 3.76Å; L52-F82 HydrophobicContact CG-CE1 3.86Å; L52-F82 HydrophobicContact CG-CE2 4.45Å; L52-F82 HydrophobicContact CG-CZ 3.62Å; L52-P147 HydrophobicContact CD1-CB 4.4Å; L52-P147 HydrophobicContact CD1-CG 4.4Å
53S96.3Very high93.4Very high22 Ų2252.7 Ų52.715%0.15429%0.285CS..Hα-helixtrans-61.7-44.2177.768.60000112.2Y49 R50 I56 C57Y49-S53 VanDerWaalsContact O-CB 3.23Å; Y49-S53 WeakPolarHBondContact O-CB 3.37Å; Y49-S53 PolarHBondContact O-N 3.24Å; Y49-S53 PolarHBondContact O-OG 2.94Å; R50-S53 WeakPolarHBondContact CA-OG 3.45Å; R50-S53 PolarHBondContact O-N 2.93Å; R50-S53 PolarHBondContact O-OG 3.2Å; S53-I56 PolarHBondContact O-N 3.48Å; S53-C57 WeakPolarHBondContact O-CB 3.44Å; S53-C57 PolarHBondContact O-N 3.37Å; S53-C57 PolarHBondContact O-SG 2.94Å; S53-C57 VanDerWaalsContact O-SG 3.4Å
54T95Very high93.8Very high79 Ų7949.1 Ų49.149%0.48527%0.266SS..Hα-helixtrans-62.7-48.8175.5-59.50000110.3R50 L52 I56 C57 D58R50-T54 PolarHBondContact O-N 3.38Å; R50-T54 PolarHBondContact O-OG1 2.94Å; L52-T54 PolarHBondContact O-N 2.91Å; T54-I56 VanDerWaalsContact C-N 3.3Å; T54-I56 PolarHBondContact O-N 3.38Å; T54-C57 PolarHBondContact O-N 2.93Å; T54-D58 VanDerWaalsContact O-CG 3.27Å; T54-D58 PolarHBondContact O-N 3.3Å
55S94.9Very high94Very high47 Ų4750.7 Ų50.733%0.32927%0.267SS..Hα-helixtrans-59.4-39.5178.9-176.50000112.7N51 L52 L59N51-S55 WeakPolarHBondContact O-CB 3.49Å; N51-S55 PolarHBondContact O-N 3.24Å; L52-S55 PolarHBondContact O-N 3.23Å; S55-L59 VanDerWaalsContact O-CB 3.25Å; S55-L59 WeakPolarHBondContact O-CB 3.25Å; S55-L59 PolarHBondContact O-N 3.47Å
56I96.6Very high94.2Very high0 Ų051.6 Ų51.60%027%0.266CS..Hα-helixtrans-71.7-41.2178.5-66.3-69.9000111.2M24 I26 L52 S53 T54 L59 L60 F82 V111 V113 P147 L149M24-I56 HydrophobicContact CE-CG2 3.97Å; I26-I56 HydrophobicContact CD1-CD1 3.7Å; I26-I56 HydrophobicContact CD1-CG1 4.04Å; I26-I56 HydrophobicContact CG1-CD1 4.01Å; I26-I56 HydrophobicContact CG2-CD1 4.47Å; L52-I56 HydrophobicContact CD1-CG1 4.15Å; L52-I56 HydrophobicContact CG-CG1 4.21Å; L52-I56 WeakPolarHBondContact O-CB 3.29Å; L52-I56 WeakPolarHBondContact O-CG1 3.31Å; L52-I56 PolarHBondContact O-N 3.43Å; S53-I56 PolarHBondContact O-N 3.48Å; T54-I56 VanDerWaalsContact C-N 3.3Å; T54-I56 PolarHBondContact O-N 3.38Å; I56-L59 PolarHBondContact O-N 2.98Å; I56-L60 VanDerWaalsContact O-CB 3.26Å; I56-L60 WeakPolarHBondContact O-CB 3.35Å; I56-L60 PolarHBondContact O-N 3.45Å; I56-F82 HydrophobicContact CG1-CE1 4.43Å; I56-V111 HydrophobicContact CG2-CG1 4.41Å; I56-V111 HydrophobicContact CG2-CG2 4.23Å; I56-V113 HydrophobicContact CG2-CG2 3.89Å; I56-P147 HydrophobicContact CD1-CB 4.29Å; I56-L149 HydrophobicContact CD1-CD2 3.69Å; I56-L149 HydrophobicContact CG2-CD2 4.46Å
57C97.5Very high94.4Very high22 Ų2251 Ų5115%0.14926%0.262CS..Hα-helixtrans-59.2-48.3173.4-76.60000111.3S53 T54 L59 L60 L61 C77 V80S53-C57 WeakPolarHBondContact O-CB 3.44Å; S53-C57 PolarHBondContact O-N 3.37Å; S53-C57 PolarHBondContact O-SG 2.94Å; S53-C57 VanDerWaalsContact O-SG 3.4Å; T54-C57 PolarHBondContact O-N 2.93Å; C57-L59 VanDerWaalsContact C-N 3.32Å; C57-L59 PolarHBondContact O-N 2.94Å; C57-L60 PolarHBondContact O-N 2.86Å; C57-L61 WeakPolarHBondContact O-CB 3.04Å; C57-L61 VanDerWaalsContact O-CG 3.27Å; C57-L61 WeakPolarHBondContact O-CG 3.37Å; C57-L61 PolarHBondContact O-N 3.3Å; C57-C77 VanDerWaalsContact CA-SG 3.59Å; C57-C77 HydrophobicContact CB-CB 3.52Å; C57-C77 WeakPolarHBondContact CB-SG 3.5Å; C57-C77 WeakPolarHBondContact SG-CB 3.34Å; C57-C77 CovalentContact SG-SG 2.04Å; C57-C77 PolarHBondContact SG-SG 3.25Å; C57-V80 WeakPolarHBondContact SG-CG2 3.22Å
58D95.6Very high94.7Very high76 Ų7648.8 Ų48.841%0.40625%0.247SC..Hα-helixtrans-61.9-42.8179.8-67.5-18.9000111.2T54 N62T54-D58 VanDerWaalsContact O-CG 3.27Å; T54-D58 PolarHBondContact O-N 3.3Å; D58-N62 WeakPolarHBondContact O-CB 3.3Å; D58-N62 VanDerWaalsContact O-CG 3.23Å; D58-N62 PolarHBondContact O-N 2.88Å; D58-N62 PolarHBondContact O-ND2 3.31Å
59L95.2Very high94.5Very high24 Ų2451 Ų5113%0.12626%0.256CS..Hα-helixtrans-63.4-43.7178.4-164.373.8000111.7S55 I56 C57 G63 L141 I143 P147 L149S55-L59 VanDerWaalsContact O-CB 3.25Å; S55-L59 WeakPolarHBondContact O-CB 3.25Å; S55-L59 PolarHBondContact O-N 3.47Å; I56-L59 PolarHBondContact O-N 2.98Å; C57-L59 VanDerWaalsContact C-N 3.32Å; C57-L59 PolarHBondContact O-N 2.94Å; L59-G63 PolarHBondContact O-N 3.43Å; L59-L141 HydrophobicContact CD1-CD1 3.71Å; L59-L141 HydrophobicContact CG-CD1 4.08Å; L59-I143 HydrophobicContact CD1-CD1 3.58Å; L59-I143 HydrophobicContact CD1-CG1 4.11Å; L59-I143 HydrophobicContact CD2-CD1 4Å; L59-I143 HydrophobicContact CG-CD1 4.22Å; L59-P147 WeakPolarHBondContact CD2-O 3Å; L59-L149 HydrophobicContact CB-CD1 4.46Å; L59-L149 HydrophobicContact CD2-CD1 3.71Å; L59-L149 HydrophobicContact CD2-CD2 4.25Å; L59-L149 HydrophobicContact CD2-CG 3.58Å; L59-L149 HydrophobicContact CG-CD1 4.11Å; L59-L149 HydrophobicContact CG-CG 4.49Å
60L96.3Very high94Very high0 Ų057.4 Ų57.40%029%0.287CS..Hα-helixtrans-66.9-45.9179.3-176.6143.4000111.6V22 M24 I56 C57 G63 L64 V113 V115 L134V22-L60 HydrophobicContact CB-CD1 3.92Å; V22-L60 HydrophobicContact CG1-CD1 3.88Å; V22-L60 HydrophobicContact CG2-CD1 4.14Å; M24-L60 HydrophobicContact CE-CD1 3.68Å; M24-L60 HydrophobicContact SD-CD1 4.08Å; I56-L60 VanDerWaalsContact O-CB 3.26Å; I56-L60 WeakPolarHBondContact O-CB 3.35Å; I56-L60 PolarHBondContact O-N 3.45Å; C57-L60 PolarHBondContact O-N 2.86Å; L60-G63 PolarHBondContact O-N 3.29Å; L60-L64 HydrophobicContact CD2-CD1 3.81Å; L60-L64 WeakPolarHBondContact O-CG 3.45Å; L60-L64 PolarHBondContact O-N 3.36Å; L60-V113 HydrophobicContact CD1-CB 4.05Å; L60-V113 HydrophobicContact CD1-CG1 4.12Å; L60-V113 HydrophobicContact CD1-CG2 4.27Å; L60-V115 HydrophobicContact CD1-CG2 4.32Å; L60-V115 HydrophobicContact CD2-CG1 4.45Å; L60-V115 HydrophobicContact CD2-CG2 3.53Å; L60-L134 HydrophobicContact CG-CD2 3.98Å
61L96Very high93.6Very high44 Ų4451.8 Ų51.823%0.2327%0.267CS..Hα-helixtrans-68.2-41.1-179.9-67.5177000111.8C57 G63 L64 R65 A75 C77C57-L61 WeakPolarHBondContact O-CB 3.04Å; C57-L61 VanDerWaalsContact O-CG 3.27Å; C57-L61 WeakPolarHBondContact O-CG 3.37Å; C57-L61 PolarHBondContact O-N 3.3Å; L61-G63 VanDerWaalsContact C-N 3.33Å; L61-L64 HydrophobicContact CD2-CD1 4.42Å; L61-L64 PolarHBondContact O-N 3.46Å; L61-R65 WeakPolarHBondContact O-CB 3.23Å; L61-R65 PolarHBondContact O-N 2.92Å; L61-A75 HydrophobicContact CD2-CB 3.82Å; L61-C77 HydrophobicContact CD1-CB 4.16Å; L61-C77 HydrophobicContact CG-CB 4.46Å
62N95Very high93.2Very high77 Ų7747.5 Ų47.541%0.41225%0.245SC..Hα-helixtrans-66.5-37.6173.8-72.7-42.5000111.7D58 R65 L66 L141D58-N62 WeakPolarHBondContact O-CB 3.3Å; D58-N62 VanDerWaalsContact O-CG 3.23Å; D58-N62 PolarHBondContact O-N 2.88Å; D58-N62 PolarHBondContact O-ND2 3.31Å; N62-R65 PolarHBondContact O-N 2.94Å; N62-L66 WeakPolarHBondContact O-CG 3.13Å; N62-L66 PolarHBondContact O-N 2.86Å; N62-L141 HydrophobicContact CB-CD2 3.91Å
63G95.4Very high92.7Very high0 Ų054.8 Ų54.80%027%0.272CS..Hα-helixtrans-56.8-54170.900000111.3L59 L60 L61 R65 L66 G67 G137L59-G63 PolarHBondContact O-N 3.43Å; L60-G63 PolarHBondContact O-N 3.29Å; L61-G63 VanDerWaalsContact C-N 3.33Å; G63-R65 VanDerWaalsContact C-N 3.29Å; G63-R65 PolarHBondContact O-N 2.88Å; G63-L66 PolarHBondContact O-N 3.03Å; G63-G67 PolarHBondContact O-N 3.44Å; G63-G137 WeakPolarHBondContact O-CA 3.45Å
64L95.5Very high92.3Very high2 Ų255.5 Ų55.51%0.0128%0.282CS..Hα-helixtrans-53-47.2176.4-76.3170.5000112.2L60 L61 L66 G67 N68 A75 V115 L117 L130 T133 L134L60-L64 HydrophobicContact CD2-CD1 3.81Å; L60-L64 WeakPolarHBondContact O-CG 3.45Å; L60-L64 PolarHBondContact O-N 3.36Å; L61-L64 HydrophobicContact CD2-CD1 4.42Å; L61-L64 PolarHBondContact O-N 3.46Å; L64-L66 PolarHBondContact O-N 3.49Å; L64-G67 PolarHBondContact O-N 3Å; L64-N68 PolarHBondContact O-N 2.91Å; L64-A75 HydrophobicContact CD1-CB 4.13Å; L64-V115 HydrophobicContact CD1-CG1 4.2Å; L64-L117 HydrophobicContact CD1-CD2 4.47Å; L64-L130 HydrophobicContact CD2-CD1 3.36Å; L64-L130 HydrophobicContact CD2-CG 4.38Å; L64-T133 HydrophobicContact CD2-CG2 4.32Å; L64-L134 HydrophobicContact CD1-CD2 4.49Å; L64-L134 HydrophobicContact CD2-CD1 4.27Å; L64-L134 HydrophobicContact CD2-CD2 3.72Å; L64-L134 HydrophobicContact CD2-CG 3.59Å; L64-L134 HydrophobicContact CG-CD2 3.62Å; L64-L134 HydrophobicContact CG-CG 4.1Å
65R95Very high92.3Very high147 Ų14752.5 Ų52.556%0.55527%0.266SS*.Hα-helixtrans-62.9-40.8-178.3-172.1177.2175.3178-1.4113.4L61 N62 G63 S72L61-R65 WeakPolarHBondContact O-CB 3.23Å; L61-R65 PolarHBondContact O-N 2.92Å; N62-R65 PolarHBondContact O-N 2.94Å; G63-R65 VanDerWaalsContact C-N 3.29Å; G63-R65 PolarHBondContact O-N 2.88Å; R65-S72 WeakPolarHBondContact CA-OG 3.08Å
66L93.7Very high92.3Very high85 Ų8552.9 Ų52.945%0.44527%0.266SS..Hα-helixtrans-74-29176.7-70.3174.7000112.8N62 G63 L64 L140 L141N62-L66 WeakPolarHBondContact O-CG 3.13Å; N62-L66 PolarHBondContact O-N 2.86Å; G63-L66 PolarHBondContact O-N 3.03Å; L64-L66 PolarHBondContact O-N 3.49Å; L66-L140 HydrophobicContact CB-CB 4.29Å; L66-L140 HydrophobicContact CB-CD1 4.33Å; L66-L140 HydrophobicContact CD1-CB 4.27Å; L66-L140 WeakPolarHBondContact O-CD1 3.41Å; L66-L141 HydrophobicContact CD1-CD2 3.46Å; L66-L141 VanDerWaalsContact CD1-CD2 3.46Å; L66-L141 HydrophobicContact CD1-CG 3.84Å
67G93.6Very high92.3Very high3 Ų354.3 Ų54.33%0.03128%0.276CS..Hα-helixtrans-71.3-48.9177.800000112.7G63 L64 T133 R136G63-G67 PolarHBondContact O-N 3.44Å; L64-G67 PolarHBondContact O-N 3Å; G67-T133 WeakPolarHBondContact CA-O 3.34Å; G67-R136 PolarHBondContact O-NH1 2.67Å; G67-R136 VanDerWaalsContact O-NH1 3.13Å
68N91.7Very high92.1Very high57 Ų5756.8 Ų56.831%0.30529%0.29SS..  trans-159.5108.7179.5-172.1-23.6000110.5L64 E70 I71 S72 T133L64-N68 PolarHBondContact O-N 2.91Å; N68-E70 VanDerWaalsContact C-N 3.26Å; N68-E70 PolarHBondContact O-N 3.16Å; N68-E70 WeakPolarHBondContact OD1-CB 3.47Å; N68-E70 PolarHBondContact OD1-N 3.4Å; N68-I71 HydrophobicContact CB-CB 4.33Å; N68-I71 HydrophobicContact CB-CD1 4.1Å; N68-I71 HydrophobicContact CB-CG1 4.29Å; N68-I71 WeakPolarHBondContact ND2-CD1 3.47Å; N68-I71 PolarHBondContact O-N 3.44Å; N68-S72 WeakPolarHBondContact O-CB 3.32Å; N68-S72 PolarHBondContact O-N 2.97Å; N68-S72 PolarHBondContact O-OG 3.25Å; N68-T133 HydrophobicContact CB-CG2 3.6Å
69E85.8Confident92Very high106 Ų10657 Ų5750%0.49529%0.289SS..Hα-helixtrans-59.9-37.5-178-162-168138.900112.1S72 R73E69-S72 WeakPolarHBondContact CA-OG 3.3Å; E69-S72 PolarHBondContact O-N 3.31Å; E69-S72 PolarHBondContact O-OG 3.07Å; E69-R73 PolarHBondContact O-N 3.49Å; E69-R73 IonicContact OE1-CZ 2.68Å; E69-R73 IonicContact OE1-NE 2.84Å; E69-R73 PolarHBondContact OE1-NE 3.09Å; E69-R73 IonicContact OE1-NH2 3.58Å; E69-R73 PolarHBondContact OE1-NH2 3.02Å
70E86Confident92.1Very high153 Ų15356.4 Ų56.472%0.71529%0.286SS*.Hα-helixtrans-66.9-42.7-174.9-164.3176.4-173.700112.1N68 S72N68-E70 VanDerWaalsContact C-N 3.26Å; N68-E70 PolarHBondContact O-N 3.16Å; N68-E70 WeakPolarHBondContact OD1-CB 3.47Å; N68-E70 PolarHBondContact OD1-N 3.4Å; E70-S72 VanDerWaalsContact C-N 3.32Å
71I83.1Confident91.9Very high21 Ų2158.7 Ų58.711%0.10830%0.299CS..Hα-helixtrans-69.4-34176.4-63.2175000111N68 L117 P125 L130N68-I71 HydrophobicContact CB-CB 4.33Å; N68-I71 HydrophobicContact CB-CD1 4.1Å; N68-I71 HydrophobicContact CB-CG1 4.29Å; N68-I71 WeakPolarHBondContact ND2-CD1 3.47Å; N68-I71 PolarHBondContact O-N 3.44Å; I71-L117 HydrophobicContact CG2-CD1 3.94Å; I71-P125 HydrophobicContact CD1-CB 4.21Å; I71-P125 HydrophobicContact CG2-CG 4.21Å; I71-L130 HydrophobicContact CG2-CD1 3.94Å
72S84.8Confident92Very high16 Ų1657.2 Ų57.211%0.11229%0.291CS..Hα-helixtrans-79.9-15.1-174.274.90000114.6R65 N68 E69 E70 G74 A75R65-S72 WeakPolarHBondContact CA-OG 3.08Å; N68-S72 WeakPolarHBondContact O-CB 3.32Å; N68-S72 PolarHBondContact O-N 2.97Å; N68-S72 PolarHBondContact O-OG 3.25Å; E69-S72 WeakPolarHBondContact CA-OG 3.3Å; E69-S72 PolarHBondContact O-N 3.31Å; E69-S72 PolarHBondContact O-OG 3.07Å; E70-S72 VanDerWaalsContact C-N 3.32Å; S72-G74 PolarHBondContact O-N 3.3Å; S72-A75 WeakPolarHBondContact O-CB 3.46Å; S72-A75 PolarHBondContact O-N 3.43Å
73R84.7Confident91.8Very high169 Ų16956 Ų5664%0.63828%0.284SS*.THydrogen-bonded Turntrans-63.4105-176.8-88.5-176.7-170-179.85.8110.2E69E69-R73 PolarHBondContact O-N 3.49Å; E69-R73 IonicContact OE1-CZ 2.68Å; E69-R73 IonicContact OE1-NE 2.84Å; E69-R73 PolarHBondContact OE1-NE 3.09Å; E69-R73 IonicContact OE1-NH2 3.58Å; E69-R73 PolarHBondContact OE1-NH2 3.02Å
74G87.6Confident91.6Very high37 Ų3762.4 Ų62.438%0.38131%0.309SS..THydrogen-bonded Turntrans85.116.9-178.300000114.3S72 T76S72-G74 PolarHBondContact O-N 3.3Å; G74-T76 PolarHBondContact O-N 3.16Å
75A94.1Very high91.2Very high16 Ų1664.4 Ų64.413%0.13232%0.319CS..  trans-62131.2165.600000110.1L61 L64 S72 Q116 L117L61-A75 HydrophobicContact CD2-CB 3.82Å; L64-A75 HydrophobicContact CD1-CB 4.13Å; S72-A75 WeakPolarHBondContact O-CB 3.46Å; S72-A75 PolarHBondContact O-N 3.43Å; A75-Q116 CarbonylContact C-O 3.54Å; A75-Q116 VanDerWaalsContact CA-O 3.28Å; A75-Q116 WeakPolarHBondContact CA-O 3.44Å; A75-L117 HydrophobicContact CB-CD2 3.42Å; A75-L117 VanDerWaalsContact CB-CD2 3.42Å
76T95.4Very high90.7Very high56 Ų5662.3 Ų62.334%0.34432%0.317SS..EExtended strand (participates in β ladder)trans-128.4134.8175.9580000110.9G74 V78 V115 Q116G74-T76 PolarHBondContact O-N 3.16Å; T76-V78 PolarHBondContact O-N 3.46Å; T76-V115 WeakPolarHBondContact O-CA 3.04Å; T76-Q116 PolarHBondContact N-O 2.85Å; T76-Q116 PolarHBondContact O-N 3.5Å
77C96.4Very high90.3Very high30 Ų3059.8 Ų59.820%0.20330%0.304CS..EExtended strand (participates in β ladder)trans-78.6112.9170.2-165.10000108.3C57 L61 V113C57-C77 VanDerWaalsContact CA-SG 3.59Å; C57-C77 HydrophobicContact CB-CB 3.52Å; C57-C77 WeakPolarHBondContact CB-SG 3.5Å; C57-C77 WeakPolarHBondContact SG-CB 3.34Å; C57-C77 CovalentContact SG-SG 2.04Å; C57-C77 PolarHBondContact SG-SG 3.25Å; L61-C77 HydrophobicContact CD1-CB 4.16Å; L61-C77 HydrophobicContact CG-CB 4.46Å; C77-V113 WeakPolarHBondContact SG-CG1 3.08Å
78V94.1Very high89.5Confident73 Ų7367.1 Ų67.144%0.44233%0.331SS..EExtended strand (participates in β ladder)trans-92.3-47.4-173.9-179.30000111T76 S114 Q116T76-V78 PolarHBondContact O-N 3.46Å; V78-S114 PolarHBondContact N-O 3.46Å; V78-Q116 HydrophobicContact CG2-CB 3.97Å; V78-Q116 HydrophobicContact CG2-CG 3.61Å
79H93.5Very high88.8Confident82 Ų8267.3 Ų67.338%0.3833%0.331SS..EExtended strand (participates in β ladder)trans-148.4144.4-173.4-170.8-113000110.6V81 V113 S114H79-V81 WeakPolarHBondContact CE1-CG2 3.02Å; H79-V81 VanDerWaalsContact ND1-CG2 3.33Å; H79-V81 WeakPolarHBondContact ND1-CG2 3.46Å; H79-V113 CarbonylContact O-C 3.58Å; H79-V113 WeakPolarHBondContact O-CA 3.32Å; H79-S114 PolarHBondContact O-N 2.02Å
80V96.5Very high88.1Confident10 Ų1066.1 Ų66.16%0.06133%0.328CS..EExtended strand (participates in β ladder)trans-129.7130.1177.8-178.60000107.7Y49 C57 F82 V111 I112 V113Y49-V80 PolarHBondContact OH-O 2.8Å; C57-V80 WeakPolarHBondContact SG-CG2 3.22Å; V80-F82 HydrophobicContact CG1-CE1 4.03Å; V80-F82 HydrophobicContact CG1-CE2 4.21Å; V80-F82 HydrophobicContact CG1-CZ 3.77Å; V80-V111 HydrophobicContact CG1-CG2 3.54Å; V80-I112 WeakPolarHBondContact CA-O 3.3Å; V80-V113 HydrophobicContact CG1-CG2 4.35Å; V80-V113 HydrophobicContact CG2-CG1 4.24Å; V80-V113 HydrophobicContact CG2-CG2 4.28Å
81V93Very high87.1Confident48 Ų4861.4 Ų61.429%0.29131%0.312SS..EExtended strand (participates in β ladder)trans-124.7126.7176-176.20000109.5H79 I83 V111 I112H79-V81 WeakPolarHBondContact CE1-CG2 3.02Å; H79-V81 VanDerWaalsContact ND1-CG2 3.33Å; H79-V81 WeakPolarHBondContact ND1-CG2 3.46Å; V81-I83 HydrophobicContact CG1-CG1 4.09Å; V81-V111 CarbonylContact O-C 3.54Å; V81-V111 VanDerWaalsContact O-CA 3.31Å; V81-V111 WeakPolarHBondContact O-CA 3.49Å; V81-I112 PolarHBondContact N-O 2.76Å; V81-I112 PolarHBondContact O-N 3.01Å
82F97.1Very high85.9Confident13 Ų1366.8 Ų66.86%0.05735%0.346CS..EExtended strand (participates in β ladder)trans-95.3135170.3-57.3-66.6000110.6I26 W37 L41 Y49 L52 I56 V80 V109 R110 V111I26-F82 HydrophobicContact CD1-CD1 4.12Å; I26-F82 HydrophobicContact CD1-CE1 3.79Å; W37-F82 HydrophobicContact CH2-CB 4.44Å; W37-F82 HydrophobicContact CZ3-CB 3.97Å; L41-F82 HydrophobicContact CB-CB 4.12Å; L41-F82 HydrophobicContact CB-CD2 4.34Å; L41-F82 HydrophobicContact CB-CG 4.42Å; L41-F82 HydrophobicContact CD2-CD2 3.95Å; L41-F82 HydrophobicContact CD2-CE2 4.16Å; L41-F82 HydrophobicContact CD2-CG 4.37Å; Y49-F82 HydrophobicContact CD1-CE2 4.25Å; Y49-F82 AromaticContact CD2-CD2 3.63Å; Y49-F82 HydrophobicContact CD2-CD2 3.63Å; Y49-F82 HydrophobicContact CD2-CE2 4.02Å; Y49-F82 HydrophobicContact CE1-CD2 4.5Å; Y49-F82 HydrophobicContact CE1-CE2 4.27Å; Y49-F82 AromaticContact CE2-CD2 3.51Å; Y49-F82 HydrophobicContact CE2-CD2 3.51Å; Y49-F82 HydrophobicContact CE2-CE2 4.07Å; Y49-F82 HydrophobicContact CG-CD2 4.19Å; Y49-F82 HydrophobicContact CG-CE2 4.1Å; Y49-F82 AromaticContact CZ-CD2 3.96Å; L52-F82 HydrophobicContact CB-CE2 4.36Å; L52-F82 HydrophobicContact CB-CZ 3.89Å; L52-F82 HydrophobicContact CD2-CD1 4.26Å; L52-F82 HydrophobicContact CD2-CE1 3.69Å; L52-F82 HydrophobicContact CD2-CE2 4.37Å; L52-F82 HydrophobicContact CD2-CZ 3.76Å; L52-F82 HydrophobicContact CG-CE1 3.86Å; L52-F82 HydrophobicContact CG-CE2 4.45Å; L52-F82 HydrophobicContact CG-CZ 3.62Å; I56-F82 HydrophobicContact CG1-CE1 4.43Å; V80-F82 HydrophobicContact CG1-CE1 4.03Å; V80-F82 HydrophobicContact CG1-CE2 4.21Å; V80-F82 HydrophobicContact CG1-CZ 3.77Å; F82-V109 HydrophobicContact CB-CG1 4.23Å; F82-V109 HydrophobicContact CD1-CG1 3.73Å; F82-V109 HydrophobicContact CG-CG1 4.32Å; F82-R110 CarbonylContact C-O 3.52Å; F82-R110 WeakPolarHBondContact CA-O 3.5Å; F82-V111 HydrophobicContact CD1-CB 3.94Å; F82-V111 HydrophobicContact CD1-CG2 3.76Å; F82-V111 HydrophobicContact CE1-CB 4.11Å; F82-V111 HydrophobicContact CE1-CG2 3.63Å
83I90.7Very high84.5Confident52 Ų5268.9 Ų68.927%0.26737%0.37SS..EExtended strand (participates in β ladder)trans-125.4128.4-178.5-57.3173.3000108.1V81 I85 R110 I112V81-I83 HydrophobicContact CG1-CG1 4.09Å; I83-I85 HydrophobicContact CG2-CG2 4.07Å; I83-I85 PolarHBondContact O-N 3.23Å; I83-R110 HydrophobicContact CB-CB 4.32Å; I83-R110 PolarHBondContact N-O 2.04Å; I83-R110 PolarHBondContact O-N 2.82Å; I83-I112 HydrophobicContact CD1-CD1 3.51Å; I83-I112 HydrophobicContact CD1-CG1 3.98Å
84R91.7Very high82.6Confident135 Ų13570.4 Ų70.451%0.50938%0.384SS..EExtended strand (participates in β ladder)trans-71124.2170-173.8-178.5-174-158.19.1109.1W37 E107W37-R84 HydrophobicContact CB-CG 4.09Å; W37-R84 HydrophobicContact CD2-CB 3.53Å; W37-R84 HydrophobicContact CD2-CG 3.76Å; W37-R84 HydrophobicContact CE3-CB 3.75Å; W37-R84 HydrophobicContact CE3-CG 4.35Å; W37-R84 HydrophobicContact CG-CB 3.95Å; W37-R84 HydrophobicContact CG-CG 3.57Å; W37-R84 HydrophobicContact CH2-CB 4.3Å; W37-R84 HydrophobicContact CZ2-CB 4.09Å; W37-R84 HydrophobicContact CZ3-CB 4.13Å; R84-E107 VanDerWaalsContact CZ-CD 3.49Å; R84-E107 IonicContact CZ-OE1 2.6Å; R84-E107 VanDerWaalsContact CZ-OE1 3.27Å; R84-E107 IonicContact CZ-OE2 3.52Å; R84-E107 VanDerWaalsContact NE-CD 3.33Å; R84-E107 IonicContact NE-OE1 3.78Å; R84-E107 IonicContact NE-OE2 2.67Å; R84-E107 PolarHBondContact NE-OE2 3.49Å; R84-E107 IonicContact NH2-OE1 3.99Å; R84-E107 PolarHBondContact NH2-OE1 3.16Å; R84-E107 IonicContact NH2-OE2 3.27Å; R84-E107 PolarHBondContact NH2-OE2 3.4Å
85I87.5Confident80.8Confident44 Ų4472.4 Ų72.423%0.22640%0.398CS..EExtended strand (participates in β ladder)trans-130163.5171.867.8158.5000110.6L25 I83 I87 E107 A108 R110L25-I85 HydrophobicContact CD2-CD1 3.46Å; L25-I85 VanDerWaalsContact CD2-CD1 3.46Å; L25-I85 HydrophobicContact CD2-CG1 4.36Å; I83-I85 HydrophobicContact CG2-CG2 4.07Å; I83-I85 PolarHBondContact O-N 3.23Å; I85-I87 HydrophobicContact CD1-CD1 3.98Å; I85-I87 HydrophobicContact CD1-CG1 3.67Å; I85-I87 HydrophobicContact CG1-CG1 4.16Å; I85-E107 CarbonylContact O-C 3.58Å; I85-E107 VanDerWaalsContact O-CA 3.3Å; I85-E107 WeakPolarHBondContact O-CA 3.4Å; I85-A108 HydrophobicContact CG1-CB 4.16Å; I85-A108 PolarHBondContact N-O 2.82Å; I85-A108 PolarHBondContact O-N 3.29Å; I85-R110 HydrophobicContact CD1-CB 4.16Å; I85-R110 HydrophobicContact CG1-CB 4.18Å; I85-R110 HydrophobicContact CG2-CB 3.84Å
86I83.1Confident78.8Confident102 Ų10280.6 Ų80.652%0.52343%0.433SS..EExtended strand (participates in β ladder)trans-110.1120.9173.2-60174.6000107.7I106 E107I86-I106 WeakPolarHBondContact CA-O 3.02Å; I86-E107 HydrophobicContact CG1-CG 4.48Å
87I85.5Confident76.9Confident32 Ų3284.3 Ų84.316%0.16446%0.455CS..EExtended strand (participates in β ladder)trans-106.5137.6174.6-54178000108.2L25 P34 I85 I89 S105 I106 A108L25-I87 HydrophobicContact CD1-CD1 3.93Å; L25-I87 HydrophobicContact CD2-CD1 3.96Å; P34-I87 HydrophobicContact CB-CD1 4.15Å; P34-I87 HydrophobicContact CG-CD1 4.07Å; I85-I87 HydrophobicContact CD1-CD1 3.98Å; I85-I87 HydrophobicContact CD1-CG1 3.67Å; I85-I87 HydrophobicContact CG1-CG1 4.16Å; I87-I89 HydrophobicContact CG2-CG1 4.31Å; I87-S105 CarbonylContact O-C 3.57Å; I87-S105 VanDerWaalsContact O-CA 3.31Å; I87-S105 WeakPolarHBondContact O-CA 3.4Å; I87-I106 PolarHBondContact N-O 2.98Å; I87-I106 PolarHBondContact O-N 2.81Å; I87-A108 HydrophobicContact CD1-CB 3.34Å; I87-A108 HydrophobicContact CG1-CB 3.77Å
88W77.4Confident74.8Confident158 Ų15890 Ų9060%0.59848%0.484SS*.EExtended strand (participates in β ladder)trans-97.2120.4170.4-61.591.9000108.7R103W88-R103 HydrophobicContact CE3-CB 4.01Å
89I76.1Confident72.8Confident60 Ų6093.7 Ų93.731%0.30851%0.507SS..EExtended strand (participates in β ladder)trans-105.3122173.7-51.7-177.7000106.7P34 I87 S91 V104 I106P34-I89 HydrophobicContact CG-CD1 4.19Å; I87-I89 HydrophobicContact CG2-CG1 4.31Å; I89-S91 PolarHBondContact O-N 3.39Å; I89-V104 PolarHBondContact N-O 3.07Å; I89-V104 PolarHBondContact O-N 2.99Å; I89-I106 HydrophobicContact CD1-CD1 3.57Å; I89-I106 HydrophobicContact CD1-CG1 4.32Å; I89-I106 HydrophobicContact CG1-CD1 4.46Å
90D72.1Confident71.2Confident82 Ų8292.5 Ų92.544%0.43952%0.517SS..EExtended strand (participates in β ladder)trans-70.6110.3167.8-65.7-41.3000106.7V92 R103D90-V92 PolarHBondContact O-N 3.43Å; D90-R103 WeakPolarHBondContact OD1-CG 3.47Å; D90-R103 IonicContact OD1-CZ 2.83Å; D90-R103 IonicContact OD1-NE 3.12Å; D90-R103 PolarHBondContact OD1-NE 2.73Å; D90-R103 IonicContact OD1-NH2 3.9Å
91S64.7Low69.6Low53 Ų5396 Ų9637%0.37155%0.546SS..  trans-71.5106.4175870000107.1I89 G93 N102I89-S91 PolarHBondContact O-N 3.39Å; S91-G93 PolarHBondContact O-N 2.86Å; S91-N102 PolarHBondContact N-O 2.83Å; S91-N102 PolarHBondContact OG-O 2.65Å
92V57.3Low68.4Low134 Ų13496.8 Ų96.881%0.81255%0.549SS*.  trans-73.581.3169.7-173.60000106.7D90 Q94D90-V92 PolarHBondContact O-N 3.43Å; V92-Q94 VanDerWaalsContact C-N 3.34Å; V92-Q94 PolarHBondContact O-N 3.03Å
93G55.3Low67.2Low61 Ų61103.8 Ų103.863%0.62958%0.575SS**  trans-65.298.6166.800000107.5S91 A95S91-G93 PolarHBondContact O-N 2.86Å; G93-A95 PolarHBondContact O-N 3.36Å
94Q46.1Very low66.5Low200 Ų200104.9 Ų104.994%0.93558%0.584SS**  trans-75.271.9173.6-153.9173.219.700108.2V92V92-Q94 VanDerWaalsContact C-N 3.34Å; V92-Q94 PolarHBondContact O-N 3.03Å
95A49.8Very low66Low80 Ų80101.4 Ų101.466%0.66158%0.58SS**  trans-137.7116.5171.200000108G93 T97G93-A95 PolarHBondContact O-N 3.36Å; A95-T97 PolarHBondContact O-N 3.3Å
96H51.7Low65.7Low188 Ų188101.2 Ų101.287%0.8758%0.579SS**SBendtrans-47.2135.8178.8-114-31.6000111
97T55.1Low65.9Low133 Ų13399.9 Ų99.982%0.81657%0.571SS**SBendtrans67.265.7166.6700000116.6A95A95-T97 PolarHBondContact O-N 3.3Å
98D53.1Low66.2Low151 Ų15198.4 Ų98.481%0.80756%0.563SS**  -171.7122.1119.1-136.4-20.4000109.6G100D98-G100 VanDerWaalsContact C-N 3.25Å; D98-G100 PolarHBondContact O-N 3.46Å
99T52.1Low67Low150 Ų15090.9 Ų90.992%0.9254%0.535SS*.  trans-79.658.6-169.133.90000113.3
100G60.1Low67.8Low57 Ų5791.1 Ų91.159%0.58853%0.532SS*.  trans-98.598.9166.400000110.5D98 N102D98-G100 VanDerWaalsContact C-N 3.25Å; D98-G100 PolarHBondContact O-N 3.46Å; G100-N102 PolarHBondContact O-N 2.71Å
101A61.6Low69Low82 Ų8287.2 Ų87.268%0.67851%0.511SS*.  trans-66.395.3171.100000109.3R103A101-R103 PolarHBondContact O-N 2.04Å
102N68.5Low70.4Confident65 Ų6585.8 Ų85.835%0.34850%0.499SS..  trans-74.1110.1174.5-90.4-6.8000109.2S91 G100 A206S91-N102 PolarHBondContact N-O 2.83Å; S91-N102 PolarHBondContact OG-O 2.65Å; G100-N102 PolarHBondContact O-N 2.71Å; N102-A206 PolarHBondContact ND2-O 3.06Å
103R71.7Confident72.3Confident161 Ų16179.4 Ų79.461%0.60846%0.46SS*.EExtended strand (participates in β ladder)trans-82.4117.4172.1-83.3-179.4173.2176.20.8109.6W88 D90 A101W88-R103 HydrophobicContact CE3-CB 4.01Å; D90-R103 WeakPolarHBondContact OD1-CG 3.47Å; D90-R103 IonicContact OD1-CZ 2.83Å; D90-R103 IonicContact OD1-NE 3.12Å; D90-R103 PolarHBondContact OD1-NE 2.73Å; D90-R103 IonicContact OD1-NH2 3.9Å; A101-R103 PolarHBondContact O-N 2.04Å
104V75.2Confident74.2Confident75 Ų7577.1 Ų77.146%0.45544%0.435SS..EExtended strand (participates in β ladder)trans-101.4126172.2-177.70000107.8I89 I106I89-V104 PolarHBondContact N-O 3.07Å; I89-V104 PolarHBondContact O-N 2.99Å; V104-I106 HydrophobicContact CG1-CG1 4.4Å
105S81.7Confident76.6Confident62 Ų6267.6 Ų67.643%0.43439%0.39SS..EExtended strand (participates in β ladder)trans-85.6138.3169.649.10000110.5I87I87-S105 CarbonylContact O-C 3.57Å; I87-S105 VanDerWaalsContact O-CA 3.31Å; I87-S105 WeakPolarHBondContact O-CA 3.4Å
106I82.2Confident78.7Confident39 Ų3966.5 Ų66.520%0.237%0.371CS..EExtended strand (participates in β ladder)trans-128.1135.8173.6-57.7-174.2000108.3N36 I86 I87 I89 V104 A108N36-I106 WeakPolarHBondContact OD1-CG2 3.46Å; I86-I106 WeakPolarHBondContact CA-O 3.02Å; I87-I106 PolarHBondContact N-O 2.98Å; I87-I106 PolarHBondContact O-N 2.81Å; I89-I106 HydrophobicContact CD1-CD1 3.57Å; I89-I106 HydrophobicContact CD1-CG1 4.32Å; I89-I106 HydrophobicContact CG1-CD1 4.46Å; V104-I106 HydrophobicContact CG1-CG1 4.4Å; I106-A108 PolarHBondContact O-N 3.15Å
107E85.8Confident80.6Confident75 Ų7557.5 Ų57.535%0.3533%0.33SS..EExtended strand (participates in β ladder)trans-79.8106.2170.1-58.6-167.7163.300109.3N36 W37 R84 I85 I86N36-E107 CarbonylContact C-O 3.51Å; N36-E107 WeakPolarHBondContact CA-O 3.28Å; W37-E107 HydrophobicContact CB-CB 4.05Å; W37-E107 PolarHBondContact N-O 2.86Å; R84-E107 VanDerWaalsContact CZ-CD 3.49Å; R84-E107 IonicContact CZ-OE1 2.6Å; R84-E107 VanDerWaalsContact CZ-OE1 3.27Å; R84-E107 IonicContact CZ-OE2 3.52Å; R84-E107 VanDerWaalsContact NE-CD 3.33Å; R84-E107 IonicContact NE-OE1 3.78Å; R84-E107 IonicContact NE-OE2 2.67Å; R84-E107 PolarHBondContact NE-OE2 3.49Å; R84-E107 IonicContact NH2-OE1 3.99Å; R84-E107 PolarHBondContact NH2-OE1 3.16Å; R84-E107 IonicContact NH2-OE2 3.27Å; R84-E107 PolarHBondContact NH2-OE2 3.4Å; I85-E107 CarbonylContact O-C 3.58Å; I85-E107 VanDerWaalsContact O-CA 3.3Å; I85-E107 WeakPolarHBondContact O-CA 3.4Å; I86-E107 HydrophobicContact CG1-CG 4.48Å
108A92.3Very high82.2Confident0 Ų057.9 Ų57.90%032%0.316CS..EExtended strand (participates in β ladder)trans-106.1163.7-174.300000112.2P34 M35 I85 I87 I106P34-A108 HydrophobicContact CB-CB 3.72Å; M35-A108 CarbonylContact O-C 3.48Å; M35-A108 VanDerWaalsContact O-CA 3.3Å; M35-A108 WeakPolarHBondContact O-CA 3.05Å; I85-A108 HydrophobicContact CG1-CB 4.16Å; I85-A108 PolarHBondContact N-O 2.82Å; I85-A108 PolarHBondContact O-N 3.29Å; I87-A108 HydrophobicContact CD1-CB 3.34Å; I87-A108 HydrophobicContact CG1-CB 3.77Å; I106-A108 PolarHBondContact O-N 3.15Å
109V94.1Very high83.8Confident0 Ų051.2 Ų51.20%028%0.28CS..EExtended strand (participates in β ladder)trans-94.6114.1174.1-172.70000110.4I26 M35 W37 L41 F82I26-V109 HydrophobicContact CB-CB 4.44Å; I26-V109 HydrophobicContact CD1-CB 4.38Å; I26-V109 HydrophobicContact CD1-CG1 3.75Å; I26-V109 HydrophobicContact CG1-CG1 4.35Å; I26-V109 PolarHBondContact N-O 3.36Å; I26-V109 VanDerWaalsContact N-O 3.12Å; M35-V109 HydrophobicContact CB-CB 4.48Å; M35-V109 HydrophobicContact CB-CG2 4.3Å; M35-V109 HydrophobicContact CG-CG2 4.12Å; M35-V109 PolarHBondContact O-N 2.92Å; M35-V109 HydrophobicContact SD-CG2 4.36Å; W37-V109 HydrophobicContact CE3-CG2 4.16Å; L41-V109 HydrophobicContact CD1-CG1 4.05Å; L41-V109 HydrophobicContact CD1-CG2 3.61Å; F82-V109 HydrophobicContact CB-CG1 4.23Å; F82-V109 HydrophobicContact CD1-CG1 3.73Å; F82-V109 HydrophobicContact CG-CG1 4.32Å
110R93.8Very high85.3Confident66 Ų6647.6 Ų47.625%0.24926%0.261CS..EExtended strand (participates in β ladder)trans-93.9141162.4179176.9173.9-115.21.5108.7D23 M24 L25 F82 I83 I85D23-R110 VanDerWaalsContact CG-NE 3.28Å; D23-R110 WeakPolarHBondContact OD1-CG 3.42Å; D23-R110 IonicContact OD1-CZ 3.92Å; D23-R110 IonicContact OD1-NE 2.94Å; D23-R110 PolarHBondContact OD1-NE 3.17Å; D23-R110 IonicContact OD1-NH2 2.7Å; D23-R110 PolarHBondContact OD1-NH2 3.17Å; D23-R110 IonicContact OD2-CZ 3.38Å; D23-R110 VanDerWaalsContact OD2-CZ 3.3Å; D23-R110 IonicContact OD2-NE 3.33Å; D23-R110 PolarHBondContact OD2-NE 3.4Å; D23-R110 IonicContact OD2-NH2 3.17Å; D23-R110 PolarHBondContact OD2-NH2 2.91Å; M24-R110 WeakPolarHBondContact O-CA 3.1Å; L25-R110 HydrophobicContact CD2-CB 4.09Å; F82-R110 CarbonylContact C-O 3.52Å; F82-R110 WeakPolarHBondContact CA-O 3.5Å; I83-R110 HydrophobicContact CB-CB 4.32Å; I83-R110 PolarHBondContact N-O 2.04Å; I83-R110 PolarHBondContact O-N 2.82Å; I85-R110 HydrophobicContact CD1-CB 4.16Å; I85-R110 HydrophobicContact CG1-CB 4.18Å; I85-R110 HydrophobicContact CG2-CB 3.84Å
111V97.3Very high86.1Confident0 Ų053.1 Ų53.10%026%0.264CS..EExtended strand (participates in β ladder)trans-126.7135.9178.963.90000110.3D23 M24 I26 I56 V80 V81 F82 V113D23-V111 WeakPolarHBondContact CA-O 3.04Å; M24-V111 HydrophobicContact CB-CG1 3.92Å; M24-V111 HydrophobicContact CE-CG1 3.8Å; M24-V111 PolarHBondContact N-O 3.46Å; M24-V111 PolarHBondContact O-N 3.34Å; I26-V111 HydrophobicContact CD1-CB 4.08Å; I26-V111 HydrophobicContact CD1-CG1 4.03Å; I26-V111 HydrophobicContact CG1-CB 4.28Å; I26-V111 HydrophobicContact CG1-CG1 3.79Å; I56-V111 HydrophobicContact CG2-CG1 4.41Å; I56-V111 HydrophobicContact CG2-CG2 4.23Å; V80-V111 HydrophobicContact CG1-CG2 3.54Å; V81-V111 CarbonylContact O-C 3.54Å; V81-V111 VanDerWaalsContact O-CA 3.31Å; V81-V111 WeakPolarHBondContact O-CA 3.49Å; F82-V111 HydrophobicContact CD1-CB 3.94Å; F82-V111 HydrophobicContact CD1-CG2 3.76Å; F82-V111 HydrophobicContact CE1-CB 4.11Å; F82-V111 HydrophobicContact CE1-CG2 3.63Å; V111-V113 HydrophobicContact CG2-CG2 3.93Å
112I94.1Very high86.8Confident23 Ų2352.9 Ų52.912%0.11827%0.27CS..EExtended strand (participates in β ladder)trans-114.8124.6170.8-55.3179.9000107.4E21 V22 D23 V80 V81 I83E21-I112 HydrophobicContact CB-CG2 4.21Å; E21-I112 HydrophobicContact CG-CG2 4.37Å; V22-I112 CarbonylContact O-C 3.56Å; V22-I112 WeakPolarHBondContact O-CA 3.34Å; D23-I112 HydrophobicContact CB-CG1 4.35Å; V80-I112 WeakPolarHBondContact CA-O 3.3Å; V81-I112 PolarHBondContact N-O 2.76Å; V81-I112 PolarHBondContact O-N 3.01Å; I83-I112 HydrophobicContact CD1-CD1 3.51Å; I83-I112 HydrophobicContact CD1-CG1 3.98Å
113V97.1Very high87.2Confident0 Ų053.2 Ų53.20%028%0.277CS..EExtended strand (participates in β ladder)trans-118122.1-179.4-175.30000109.7E21 V22 M24 I56 L60 C77 H79 V80 V111 V115E21-V113 CarbonylContact C-O 3.58Å; E21-V113 WeakPolarHBondContact CA-O 3.42Å; V22-V113 PolarHBondContact N-O 3.14Å; V22-V113 PolarHBondContact O-N 3.1Å; M24-V113 HydrophobicContact CE-CG2 3.76Å; I56-V113 HydrophobicContact CG2-CG2 3.89Å; L60-V113 HydrophobicContact CD1-CB 4.05Å; L60-V113 HydrophobicContact CD1-CG1 4.12Å; L60-V113 HydrophobicContact CD1-CG2 4.27Å; C77-V113 WeakPolarHBondContact SG-CG1 3.08Å; H79-V113 CarbonylContact O-C 3.58Å; H79-V113 WeakPolarHBondContact O-CA 3.32Å; V80-V113 HydrophobicContact CG1-CG2 4.35Å; V80-V113 HydrophobicContact CG2-CG1 4.24Å; V80-V113 HydrophobicContact CG2-CG2 4.28Å; V111-V113 HydrophobicContact CG2-CG2 3.93Å; V113-V115 HydrophobicContact CG1-CG2 3.92Å
114S95.2Very high87.8Confident13 Ų1349.8 Ų49.89%0.09127%0.268CS..EExtended strand (participates in β ladder)trans-84.4122.9170.9-53.80000109.3F20 V78 H79F20-S114 CarbonylContact O-C 3.55Å; F20-S114 WeakPolarHBondContact O-CA 3.41Å; V78-S114 PolarHBondContact N-O 3.46Å; H79-S114 PolarHBondContact O-N 2.02Å
115V95.2Very high88.5Confident0 Ų046.6 Ų46.60%025%0.249CC..EExtended strand (participates in β ladder)trans-121.7129.2-176.3-175.20000108.9E19 F20 V22 L60 L64 T76 V113 L117E19-V115 WeakPolarHBondContact CA-O 3.5Å; F20-V115 PolarHBondContact N-O 3.02Å; F20-V115 PolarHBondContact O-N 3.22Å; V22-V115 HydrophobicContact CG2-CG2 3.92Å; L60-V115 HydrophobicContact CD1-CG2 4.32Å; L60-V115 HydrophobicContact CD2-CG1 4.45Å; L60-V115 HydrophobicContact CD2-CG2 3.53Å; L64-V115 HydrophobicContact CD1-CG1 4.2Å; T76-V115 WeakPolarHBondContact O-CA 3.04Å; V113-V115 HydrophobicContact CG1-CG2 3.92Å; V115-L117 HydrophobicContact CG1-CD2 4Å
116Q94Very high89Confident56 Ų5647 Ų4726%0.26225%0.249SC..EExtended strand (participates in β ladder)trans-102.7129.8170.8-78.9174.38.600109.5I17 S18 E19 A75 T76 V78I17-Q116 HydrophobicContact CG2-CB 4.05Å; I17-Q116 HydrophobicContact CG2-CG 4.01Å; S18-Q116 CarbonylContact O-C 3.57Å; S18-Q116 WeakPolarHBondContact O-CA 3.36Å; E19-Q116 HydrophobicContact CB-CG 4.28Å; E19-Q116 HydrophobicContact CG-CG 4.23Å; A75-Q116 CarbonylContact C-O 3.54Å; A75-Q116 VanDerWaalsContact CA-O 3.28Å; A75-Q116 WeakPolarHBondContact CA-O 3.44Å; T76-Q116 PolarHBondContact N-O 2.85Å; T76-Q116 PolarHBondContact O-N 3.5Å; V78-Q116 HydrophobicContact CG2-CB 3.97Å; V78-Q116 HydrophobicContact CG2-CG 3.61Å
117L92.4Very high89.5Confident0 Ų049 Ų490%026%0.257CS..EExtended strand (participates in β ladder)trans-109.6133.4174.9-59-178000109.3I17 S18 F20 L64 I71 A75 V115 L119 P125 L130I17-L117 WeakPolarHBondContact CA-O 3.43Å; S18-L117 PolarHBondContact N-O 3.31Å; S18-L117 PolarHBondContact O-N 3.22Å; F20-L117 HydrophobicContact CD2-CD1 3.93Å; F20-L117 HydrophobicContact CD2-CG 4.17Å; F20-L117 HydrophobicContact CE2-CD1 3.69Å; F20-L117 HydrophobicContact CE2-CG 4.23Å; L64-L117 HydrophobicContact CD1-CD2 4.47Å; I71-L117 HydrophobicContact CG2-CD1 3.94Å; A75-L117 HydrophobicContact CB-CD2 3.42Å; A75-L117 VanDerWaalsContact CB-CD2 3.42Å; V115-L117 HydrophobicContact CG1-CD2 4Å; L117-L119 HydrophobicContact CB-CD1 3.76Å; L117-L119 HydrophobicContact CB-CG 4.12Å; L117-L119 HydrophobicContact CD1-CD1 4.38Å; L117-P125 HydrophobicContact CD1-CG 4.02Å; L117-L130 HydrophobicContact CD1-CD1 3.79Å; L117-L130 HydrophobicContact CD1-CD2 3.93Å
118R89.2Confident89.8Confident140 Ų14049.7 Ų49.753%0.52827%0.267SS..EExtended strand (participates in β ladder)trans-98.8105.5172.3-70.3-176.4179.1163.42.1109I17I17-R118 HydrophobicContact CG1-CG 4.37Å
119L86.2Confident89.9Confident11 Ų1153.4 Ų53.46%0.05829%0.287CS..EExtended strand (participates in β ladder)trans-116147.8-173.4-65.5144.6000110.4E16 L117 P125E16-L119 PolarHBondContact N-O 3.22Å; E16-L119 PolarHBondContact O-N 3.4Å; L117-L119 HydrophobicContact CB-CD1 3.76Å; L117-L119 HydrophobicContact CB-CG 4.12Å; L117-L119 HydrophobicContact CD1-CD1 4.38Å; L119-P125 HydrophobicContact CD1-CG 3.92Å; L119-P125 HydrophobicContact CD2-CG 4.35Å
120S83.1Confident89.9Confident74 Ų7453.5 Ų53.552%0.51729%0.287SS..EExtended strand (participates in β ladder)trans-67.6142.1169.3-59.20000110G122 S123S120-G122 PolarHBondContact O-N 3.46Å; S120-S123 PolarHBondContact O-N 2.86Å
121R77.2Confident90Very high174 Ų17454 Ų5466%0.65729%0.291SS*.THydrogen-bonded Turntrans-52.2124.9179.9-125.9178-171.7171.81111.2E16E16-R121 HydrophobicContact CG-CG 4.25Å; E16-R121 VanDerWaalsContact OE1-CG 3.28Å; E16-R121 WeakPolarHBondContact OE1-CG 3.42Å; E16-R121 IonicContact OE1-NE 2.58Å; E16-R121 PolarHBondContact OE1-NE 2.99Å
122G77.1Confident89.9Confident77 Ų7759 Ų5979%0.79431%0.314SS*.THydrogen-bonded Turntrans104.4-11.6178.400000115.8S120S120-G122 PolarHBondContact O-N 3.46Å
123S77.2Confident89.9Confident71 Ų7158.6 Ų58.650%0.49731%0.313SS..  trans-11751.3-176.9-52.20000112.3S120 P125S120-S123 PolarHBondContact O-N 2.86Å; S123-P125 VanDerWaalsContact O-CD 3.29Å; S123-P125 WeakPolarHBondContact O-CD 3.33Å
124Q83.6Confident89.9Confident90 Ų9058.6 Ų58.642%0.42131%0.313SS..  trans-74.6115.3175.5-72.2-168.312.400109.8E16 T126E16-Q124 PolarHBondContact OE2-NE2 3.26Å; Q124-T126 PolarHBondContact O-N 2.78Å
125P89.1Confident89.8Confident8 Ų861 Ų615%0.05232%0.324CS..  trans-64.5138.9175.628.9-31.9000108.5F20 I71 L117 L119 S123 D129F20-P125 HydrophobicContact CZ-CG 4.26Å; I71-P125 HydrophobicContact CD1-CB 4.21Å; I71-P125 HydrophobicContact CG2-CG 4.21Å; L117-P125 HydrophobicContact CD1-CG 4.02Å; L119-P125 HydrophobicContact CD1-CG 3.92Å; L119-P125 HydrophobicContact CD2-CG 4.35Å; S123-P125 VanDerWaalsContact O-CD 3.29Å; S123-P125 WeakPolarHBondContact O-CD 3.33Å; P125-D129 HydrophobicContact CB-CB 4.19Å
126T92.2Very high89.8Confident70 Ų7068.6 Ų68.643%0.42935%0.353SS..  trans-69.6161.7169.568.90000109.7Q124 T128 D129 L130Q124-T126 PolarHBondContact O-N 2.78Å; T126-T128 PolarHBondContact O-N 3.38Å; T126-T128 PolarHBondContact OG1-N 3.35Å; T126-D129 WeakPolarHBondContact CB-OD2 3.32Å; T126-D129 WeakPolarHBondContact CG2-OD2 3.35Å; T126-D129 PolarHBondContact N-OD2 3.49Å; T126-D129 PolarHBondContact O-N 3.4Å; T126-D129 VanDerWaalsContact O-N 3.14Å; T126-D129 PolarHBondContact OG1-N 3.42Å; T126-D129 VanDerWaalsContact OG1-N 3.13Å; T126-D129 PolarHBondContact OG1-OD2 2.88Å; T126-L130 PolarHBondContact O-N 3.32Å
127E92.8Very high89.8Confident80 Ų8066 Ų6637%0.37434%0.34SS..Hα-helixtrans-55.7-33.4173-63.7171.9173.100111.6F20 K131 R156F20-E127 HydrophobicContact CE1-CG 4.42Å; E127-K131 VanDerWaalsContact O-CB 3.31Å; E127-K131 WeakPolarHBondContact O-CB 3.23Å; E127-K131 PolarHBondContact O-N 2.86Å; E127-R156 WeakPolarHBondContact OE1-CB 3.43Å; E127-R156 PolarHBondContact OE1-N 3.19Å
128T92.9Very high89.8Confident91 Ų9166.9 Ų66.956%0.55835%0.347SS*.Hα-helixtrans-69.9-45.4177.2-56.70000111.1T126 L130 K131 E132T126-T128 PolarHBondContact O-N 3.38Å; T126-T128 PolarHBondContact OG1-N 3.35Å; T128-L130 VanDerWaalsContact C-N 3.3Å; T128-L130 PolarHBondContact O-N 3.03Å; T128-K131 PolarHBondContact O-N 2.76Å; T128-E132 HydrophobicContact CG2-CG 4.48Å; T128-E132 WeakPolarHBondContact O-CG 3.48Å; T128-E132 PolarHBondContact O-N 3.21Å
129D93.5Very high89.9Confident78 Ų7865.5 Ų65.542%0.41735%0.354SS..Hα-helixtrans-60.5-42.1177.7-58.1-41.7000111.4P125 T126 T133P125-D129 HydrophobicContact CB-CB 4.19Å; T126-D129 WeakPolarHBondContact CB-OD2 3.32Å; T126-D129 WeakPolarHBondContact CG2-OD2 3.35Å; T126-D129 PolarHBondContact N-OD2 3.49Å; T126-D129 PolarHBondContact O-N 3.4Å; T126-D129 VanDerWaalsContact O-N 3.14Å; T126-D129 PolarHBondContact OG1-N 3.42Å; T126-D129 VanDerWaalsContact OG1-N 3.13Å; T126-D129 PolarHBondContact OG1-OD2 2.88Å; D129-T133 VanDerWaalsContact O-CB 3.24Å; D129-T133 WeakPolarHBondContact O-CB 3.5Å; D129-T133 PolarHBondContact O-N 2.93Å; D129-T133 PolarHBondContact O-OG1 2.94Å
130L94.7Very high90.2Very high1 Ų169.6 Ų69.61%0.00538%0.376CS..Hα-helixtrans-68.1-40.5179.3-170.260.4000111.7F20 L64 I71 L117 T126 T128 T133 L134 V154F20-L130 HydrophobicContact CB-CD2 3.86Å; F20-L130 HydrophobicContact CD1-CD2 3.78Å; F20-L130 HydrophobicContact CD2-CD2 3.71Å; F20-L130 HydrophobicContact CE1-CD2 4.19Å; F20-L130 HydrophobicContact CE2-CD2 4.14Å; F20-L130 HydrophobicContact CG-CD2 3.5Å; F20-L130 HydrophobicContact CZ-CD2 4.35Å; L64-L130 HydrophobicContact CD2-CD1 3.36Å; L64-L130 HydrophobicContact CD2-CG 4.38Å; I71-L130 HydrophobicContact CG2-CD1 3.94Å; L117-L130 HydrophobicContact CD1-CD1 3.79Å; L117-L130 HydrophobicContact CD1-CD2 3.93Å; T126-L130 PolarHBondContact O-N 3.32Å; T128-L130 VanDerWaalsContact C-N 3.3Å; T128-L130 PolarHBondContact O-N 3.03Å; L130-T133 PolarHBondContact O-N 3.17Å; L130-L134 HydrophobicContact CG-CD1 4.43Å; L130-L134 WeakPolarHBondContact O-CB 3.37Å; L130-L134 WeakPolarHBondContact O-CG 3.42Å; L130-L134 PolarHBondContact O-N 3.4Å; L130-V154 HydrophobicContact CB-CG1 4.21Å; L130-V154 HydrophobicContact CD2-CG1 3.8Å; L130-V154 HydrophobicContact CG-CG1 4.18Å
131K96.1Very high90.5Very high77 Ų7768.2 Ų68.234%0.33536%0.362SS..Hα-helixtrans-61.2-49.8174.6179.3-174.4171.7-172.20111.9E127 T128 T133 L134 I135 I152 V154E127-K131 VanDerWaalsContact O-CB 3.31Å; E127-K131 WeakPolarHBondContact O-CB 3.23Å; E127-K131 PolarHBondContact O-N 2.86Å; T128-K131 PolarHBondContact O-N 2.76Å; K131-T133 VanDerWaalsContact C-N 3.32Å; K131-T133 PolarHBondContact O-N 3.41Å; K131-L134 WeakPolarHBondContact O-CB 3.2Å; K131-L134 PolarHBondContact O-N 3.39Å; K131-I135 HydrophobicContact CG-CD1 3.92Å; K131-I135 WeakPolarHBondContact O-CG1 3.47Å; K131-I135 PolarHBondContact O-N 3.34Å; K131-I152 VanDerWaalsContact CE-O 3.31Å; K131-I152 WeakPolarHBondContact CE-O 3.44Å; K131-V154 HydrophobicContact CB-CB 4.25Å; K131-V154 HydrophobicContact CB-CG2 3.86Å
132E95.4Very high91.1Very high105 Ų10565.2 Ų65.249%0.49136%0.359SS..Hα-helixtrans-64.1-39.8179.5-70.2-57.7143.600111.5T128 L134 I135 R136T128-E132 HydrophobicContact CG2-CG 4.48Å; T128-E132 WeakPolarHBondContact O-CG 3.48Å; T128-E132 PolarHBondContact O-N 3.21Å; E132-L134 PolarHBondContact O-N 2.84Å; E132-I135 PolarHBondContact O-N 3.38Å; E132-R136 VanDerWaalsContact O-CB 3.31Å; E132-R136 WeakPolarHBondContact O-CB 3.28Å; E132-R136 PolarHBondContact O-N 3.32Å
133T94.7Very high91.5Very high14 Ų1463.4 Ų63.49%0.08633%0.331CS..Hα-helixtrans-57.9-47.8173.4-62.80000111.2L64 G67 N68 D129 L130 K131 G137L64-T133 HydrophobicContact CD2-CG2 4.32Å; G67-T133 WeakPolarHBondContact CA-O 3.34Å; N68-T133 HydrophobicContact CB-CG2 3.6Å; D129-T133 VanDerWaalsContact O-CB 3.24Å; D129-T133 WeakPolarHBondContact O-CB 3.5Å; D129-T133 PolarHBondContact O-N 2.93Å; D129-T133 PolarHBondContact O-OG1 2.94Å; L130-T133 PolarHBondContact O-N 3.17Å; K131-T133 VanDerWaalsContact C-N 3.32Å; K131-T133 PolarHBondContact O-N 3.41Å; T133-G137 PolarHBondContact O-N 3.31Å
134L95.3Very high91.8Very high1 Ų169.7 Ų69.71%0.00534%0.343CS..Hα-helixtrans-62.1-47.2177.4-84.6163.5000112.6V22 L60 L64 L130 K131 E132 R136 G137 C138 I152 V154V22-L134 HydrophobicContact CG1-CD1 3.9Å; V22-L134 HydrophobicContact CG2-CD1 4.08Å; L60-L134 HydrophobicContact CG-CD2 3.98Å; L64-L134 HydrophobicContact CD1-CD2 4.49Å; L64-L134 HydrophobicContact CD2-CD1 4.27Å; L64-L134 HydrophobicContact CD2-CD2 3.72Å; L64-L134 HydrophobicContact CD2-CG 3.59Å; L64-L134 HydrophobicContact CG-CD2 3.62Å; L64-L134 HydrophobicContact CG-CG 4.1Å; L130-L134 HydrophobicContact CG-CD1 4.43Å; L130-L134 WeakPolarHBondContact O-CB 3.37Å; L130-L134 WeakPolarHBondContact O-CG 3.42Å; L130-L134 PolarHBondContact O-N 3.4Å; K131-L134 WeakPolarHBondContact O-CB 3.2Å; K131-L134 PolarHBondContact O-N 3.39Å; E132-L134 PolarHBondContact O-N 2.84Å; L134-R136 PolarHBondContact O-N 3.11Å; L134-G137 PolarHBondContact O-N 3.07Å; L134-C138 WeakPolarHBondContact O-CB 3.38Å; L134-C138 PolarHBondContact O-N 3.27Å; L134-C138 PolarHBondContact O-SG 3.33Å; L134-I152 HydrophobicContact CB-CG2 4.45Å; L134-I152 HydrophobicContact CD1-CG2 4.26Å; L134-V154 HydrophobicContact CD1-CG2 3.85Å
135I94.3Very high91.8Very high62 Ų6267.9 Ų67.932%0.31834%0.341SS..Hα-helixtrans-61.3-46.7-179.9-70.2169.9000110.4K131 E132 G137 C138 T139 I152K131-I135 HydrophobicContact CG-CD1 3.92Å; K131-I135 WeakPolarHBondContact O-CG1 3.47Å; K131-I135 PolarHBondContact O-N 3.34Å; E132-I135 PolarHBondContact O-N 3.38Å; I135-G137 PolarHBondContact O-N 3.17Å; I135-C138 PolarHBondContact O-N 2.96Å; I135-T139 PolarHBondContact O-N 3.17Å; I135-T139 PolarHBondContact O-OG1 3.46Å; I135-I152 HydrophobicContact CG1-CD1 4.4Å
136R94.7Very high91.7Very high161 Ų16168.6 Ų68.661%0.60835%0.35SS*.Hα-helixtrans-58.9-49.1176.5-175.3-178.2-176.4-153.95.5111G67 E132 L134 T139 L140G67-R136 PolarHBondContact O-NH1 2.67Å; G67-R136 VanDerWaalsContact O-NH1 3.13Å; E132-R136 VanDerWaalsContact O-CB 3.31Å; E132-R136 WeakPolarHBondContact O-CB 3.28Å; E132-R136 PolarHBondContact O-N 3.32Å; L134-R136 PolarHBondContact O-N 3.11Å; R136-T139 WeakPolarHBondContact O-CB 3.44Å; R136-T139 PolarHBondContact O-N 2.86Å; R136-L140 HydrophobicContact CG-CD1 4.36Å; R136-L140 WeakPolarHBondContact O-CG 3.46Å; R136-L140 PolarHBondContact O-N 3.45Å; R136-L140 VanDerWaalsContact O-N 3.09Å
137G94.1Very high91.6Very high0 Ų066.8 Ų66.80%034%0.339CS..Hα-helixtrans-59.8-46.6178.100000114.1G63 T133 L134 I135 T139 L140 L141G63-G137 WeakPolarHBondContact O-CA 3.45Å; T133-G137 PolarHBondContact O-N 3.31Å; L134-G137 PolarHBondContact O-N 3.07Å; I135-G137 PolarHBondContact O-N 3.17Å; G137-T139 VanDerWaalsContact C-N 3.26Å; G137-T139 PolarHBondContact O-N 3.36Å; G137-L140 WeakPolarHBondContact O-CB 3.31Å; G137-L140 PolarHBondContact O-N 2.98Å; G137-L141 PolarHBondContact O-N 3.35Å
138C92Very high91.6Very high20 Ų2063.2 Ų63.214%0.13532%0.323CS..Hα-helixtrans-62.4-34.8177.3-690000112.2L134 I135 L140 L141L134-C138 WeakPolarHBondContact O-CB 3.38Å; L134-C138 PolarHBondContact O-N 3.27Å; L134-C138 PolarHBondContact O-SG 3.33Å; I135-C138 PolarHBondContact O-N 2.96Å; C138-L140 VanDerWaalsContact C-N 3.33Å; C138-L141 PolarHBondContact O-N 2.65Å
139T91.5Very high91.6Very high110 Ų11059.7 Ų59.768%0.67530%0.3SS*.Hα-helixtrans-67.4-36174.7-50.70000111.3I135 R136 G137I135-T139 PolarHBondContact O-N 3.17Å; I135-T139 PolarHBondContact O-OG1 3.46Å; R136-T139 WeakPolarHBondContact O-CB 3.44Å; R136-T139 PolarHBondContact O-N 2.86Å; G137-T139 VanDerWaalsContact C-N 3.26Å; G137-T139 PolarHBondContact O-N 3.36Å
140L93.6Very high91.6Very high98 Ų9860.5 Ų60.551%0.51330%0.298SS..Hα-helixtrans-74.8-24.1178.2-69172.2000113.9L66 R136 G137 C138 N142L66-L140 HydrophobicContact CB-CB 4.29Å; L66-L140 HydrophobicContact CB-CD1 4.33Å; L66-L140 HydrophobicContact CD1-CB 4.27Å; L66-L140 WeakPolarHBondContact O-CD1 3.41Å; R136-L140 HydrophobicContact CG-CD1 4.36Å; R136-L140 WeakPolarHBondContact O-CG 3.46Å; R136-L140 PolarHBondContact O-N 3.45Å; R136-L140 VanDerWaalsContact O-N 3.09Å; G137-L140 WeakPolarHBondContact O-CB 3.31Å; G137-L140 PolarHBondContact O-N 2.98Å; C138-L140 VanDerWaalsContact C-N 3.33Å; L140-N142 PolarHBondContact O-N 3.41Å; L140-N142 VanDerWaalsContact O-N 3.14Å
141L89.4Confident91.5Very high44 Ų4465.9 Ų65.923%0.2333%0.327CS..THydrogen-bonded Turntrans-61.7-19.6178-76171.1000113.5L59 N62 L66 G137 C138 I143L59-L141 HydrophobicContact CD1-CD1 3.71Å; L59-L141 HydrophobicContact CG-CD1 4.08Å; N62-L141 HydrophobicContact CB-CD2 3.91Å; L66-L141 HydrophobicContact CD1-CD2 3.46Å; L66-L141 VanDerWaalsContact CD1-CD2 3.46Å; L66-L141 HydrophobicContact CD1-CG 3.84Å; G137-L141 PolarHBondContact O-N 3.35Å; C138-L141 PolarHBondContact O-N 2.65Å; L141-I143 HydrophobicContact CB-CD1 4.34Å; L141-I143 HydrophobicContact CB-CG1 3.83Å; L141-I143 PolarHBondContact O-N 3.06Å; L141-I143 VanDerWaalsContact O-N 3.15Å
142N88.2Confident91.5Very high111 Ų11162.9 Ų62.959%0.59431%0.314SS*.  trans4745.7178-164.321.2000113L140 R144L140-N142 PolarHBondContact O-N 3.41Å; L140-N142 VanDerWaalsContact O-N 3.14Å; N142-R144 PolarHBondContact O-N 3.47Å
143I86.3Confident91.4Very high39 Ų3960.7 Ų60.720%0.231%0.308CS..  trans-62.5119-177.9-51.6163.4000108.1E29 L59 L141 S145E29-I143 HydrophobicContact CB-CG2 4.38Å; E29-I143 HydrophobicContact CG-CG2 4.47Å; E29-I143 WeakPolarHBondContact CG-O 3.21Å; L59-I143 HydrophobicContact CD1-CD1 3.58Å; L59-I143 HydrophobicContact CD1-CG1 4.11Å; L59-I143 HydrophobicContact CD2-CD1 4Å; L59-I143 HydrophobicContact CG-CD1 4.22Å; L141-I143 HydrophobicContact CB-CD1 4.34Å; L141-I143 HydrophobicContact CB-CG1 3.83Å; L141-I143 PolarHBondContact O-N 3.06Å; L141-I143 VanDerWaalsContact O-N 3.15Å; I143-S145 WeakPolarHBondContact CG2-O 3.08Å
144R83.7Confident91.5Very high203 Ų20360.7 Ų60.777%0.76631%0.308SS*.  trans-99.3-20.9178.2-66.4-170.7177.6-149.20.8113.7N142N142-R144 PolarHBondContact O-N 3.47Å
145S84.2Confident91.4Very high52 Ų5264 Ų6436%0.36432%0.321SS..SBendtrans-153.6148.1-176.657.40000110.4E30 I143E30-S145 WeakPolarHBondContact OE2-CA 3.47Å; I143-S145 WeakPolarHBondContact CG2-O 3.08Å
146G86Confident91.3Very high23 Ų2365.6 Ų65.624%0.23732%0.323CS..SBendtrans96.2-164177.600000113.5E29 E30 S148E29-G146 PolarHBondContact N-O 3.1Å; E30-G146 PolarHBondContact OE2-N 2.92Å; G146-S148 PolarHBondContact O-N 3.15Å
147P90Very high90.7Very high32 Ų3259.2 Ų59.221%0.20830%0.302CS..EExtended strand (participates in β ladder)trans-68.4131.2-178.327.3-32.3000111.1I26 Y27 L52 I56 L59I26-P147 HydrophobicContact CG2-CB 3.78Å; Y27-P147 CarbonylContact O-C 3.57Å; Y27-P147 VanDerWaalsContact O-CA 3.31Å; Y27-P147 WeakPolarHBondContact O-CA 3.19Å; L52-P147 HydrophobicContact CD1-CB 4.4Å; L52-P147 HydrophobicContact CD1-CG 4.4Å; I56-P147 HydrophobicContact CD1-CB 4.29Å; L59-P147 WeakPolarHBondContact CD2-O 3Å
148S93Very high89.8Confident5 Ų571.1 Ų71.14%0.03535%0.347CS..EExtended strand (participates in β ladder)trans-119.4154.9167.567.20000111.1Y27 E29 G146Y27-S148 WeakPolarHBondContact CB-OG 3.42Å; Y27-S148 PolarHBondContact N-O 3.24Å; Y27-S148 PolarHBondContact O-N 3.21Å; E29-S148 VanDerWaalsContact OE2-CB 3.25Å; E29-S148 WeakPolarHBondContact OE2-CB 3.35Å; E29-S148 PolarHBondContact OE2-OG 3.42Å; G146-S148 PolarHBondContact O-N 3.15Å
149L93.6Very high88.2Confident17 Ų1775 Ų759%0.08937%0.371CS..EExtended strand (participates in β ladder)trans-101.7126.9-176.1-56.1169.8000109.2M24 I56 L59 I152M24-L149 HydrophobicContact CB-CD2 4.42Å; M24-L149 HydrophobicContact CE-CD1 3.94Å; M24-L149 HydrophobicContact CE-CD2 3.63Å; M24-L149 HydrophobicContact CE-CG 4.31Å; M24-L149 HydrophobicContact SD-CB 4.03Å; M24-L149 HydrophobicContact SD-CD1 3.63Å; M24-L149 HydrophobicContact SD-CD2 3.82Å; M24-L149 HydrophobicContact SD-CG 3.99Å; I56-L149 HydrophobicContact CD1-CD2 3.69Å; I56-L149 HydrophobicContact CG2-CD2 4.46Å; L59-L149 HydrophobicContact CB-CD1 4.46Å; L59-L149 HydrophobicContact CD2-CD1 3.71Å; L59-L149 HydrophobicContact CD2-CD2 4.25Å; L59-L149 HydrophobicContact CD2-CG 3.58Å; L59-L149 HydrophobicContact CG-CD1 4.11Å; L59-L149 HydrophobicContact CG-CG 4.49Å; L149-I152 HydrophobicContact CB-CD1 4.2Å; L149-I152 HydrophobicContact CB-CG1 4.4Å
150R92.8Very high85.6Confident96 Ų9674.9 Ų74.936%0.36237%0.374SS..EExtended strand (participates in β ladder)trans-130.6165.7174-60.3-166.9-178.1-95.5-8.8110.7L25 Y27 E29 I152L25-R150 PolarHBondContact N-O 3.34Å; L25-R150 PolarHBondContact O-N 3.04Å; Y27-R150 HydrophobicContact CD2-CB 3.65Å; Y27-R150 HydrophobicContact CD2-CG 3.67Å; Y27-R150 HydrophobicContact CE2-CB 3.69Å; Y27-R150 HydrophobicContact CE2-CG 4.08Å; Y27-R150 HydrophobicContact CG-CG 4.04Å; E29-R150 IonicContact OE1-NH2 2.85Å; E29-R150 PolarHBondContact OE1-NH2 3.11Å; E29-R150 VanDerWaalsContact OE1-NH2 3.12Å; E29-R150 IonicContact OE2-CZ 2.64Å; E29-R150 IonicContact OE2-NE 3.13Å; E29-R150 IonicContact OE2-NH2 3.42Å; E29-R150 PolarHBondContact OE2-NH2 2.96Å; R150-I152 VanDerWaalsContact C-N 3.27Å; R150-I152 PolarHBondContact O-N 3.43Å
151N93.1Very high82.8Confident114 Ų11476.4 Ų76.461%0.6139%0.388SS*.EExtended strand (participates in β ladder)trans52.843.9179.4-645.5000113L25 T153L25-N151 HydrophobicContact CD1-CB 4.17Å; L25-N151 WeakPolarHBondContact CD1-ND2 3.29Å; L25-N151 HydrophobicContact CG-CB 4.49Å; N151-T153 PolarHBondContact O-N 3.19Å
152I95.4Very high80.3Confident13 Ų1380.4 Ų80.47%0.06741%0.414CS..EExtended strand (participates in β ladder)trans-67.2120.9-177.1-55.2175.1000109.7V22 D23 M24 K131 L134 I135 L149 R150 V154V22-I152 HydrophobicContact CG1-CG2 3.81Å; D23-I152 WeakPolarHBondContact O-CA 3.2Å; M24-I152 HydrophobicContact CG-CG1 4.17Å; M24-I152 HydrophobicContact CG-CG2 4.31Å; M24-I152 HydrophobicContact SD-CG1 4.21Å; M24-I152 HydrophobicContact SD-CG2 4.49Å; K131-I152 VanDerWaalsContact CE-O 3.31Å; K131-I152 WeakPolarHBondContact CE-O 3.44Å; L134-I152 HydrophobicContact CB-CG2 4.45Å; L134-I152 HydrophobicContact CD1-CG2 4.26Å; I135-I152 HydrophobicContact CG1-CD1 4.4Å; L149-I152 HydrophobicContact CB-CD1 4.2Å; L149-I152 HydrophobicContact CB-CG1 4.4Å; R150-I152 VanDerWaalsContact C-N 3.27Å; R150-I152 PolarHBondContact O-N 3.43Å; I152-V154 HydrophobicContact CG2-CG2 4.31Å
153T94.2Very high77.9Confident59 Ų5978.6 Ų78.636%0.36241%0.414SS..EExtended strand (participates in β ladder)trans-118.1142.316850.10000108.7V22 D23 N151V22-T153 CarbonylContact C-O 3.42Å; V22-T153 WeakPolarHBondContact CA-O 3.48Å; D23-T153 VanDerWaalsContact CB-OG1 3.31Å; D23-T153 WeakPolarHBondContact CB-OG1 3.3Å; D23-T153 PolarHBondContact N-O 3.15Å; D23-T153 PolarHBondContact O-N 3.44Å; D23-T153 PolarHBondContact O-OG1 3.39Å; D23-T153 PolarHBondContact OD2-OG1 3.02Å; N151-T153 PolarHBondContact O-N 3.19Å
154V96.1Very high75.5Confident14 Ų1481.2 Ų81.29%0.08544%0.442CS..EExtended strand (participates in β ladder)trans-126.6132.7179.8179.40000106.9F20 E21 V22 L130 K131 L134 I152F20-V154 HydrophobicContact CB-CG1 4.34Å; F20-V154 HydrophobicContact CD1-CG1 4.09Å; E21-V154 WeakPolarHBondContact O-CA 3.47Å; V22-V154 HydrophobicContact CG1-CG2 4.26Å; V22-V154 HydrophobicContact CG2-CG2 4.3Å; L130-V154 HydrophobicContact CB-CG1 4.21Å; L130-V154 HydrophobicContact CD2-CG1 3.8Å; L130-V154 HydrophobicContact CG-CG1 4.18Å; K131-V154 HydrophobicContact CB-CB 4.25Å; K131-V154 HydrophobicContact CB-CG2 3.86Å; L134-V154 HydrophobicContact CD1-CG2 3.85Å; I152-V154 HydrophobicContact CG2-CG2 4.31Å
155Y93.4Very high73.1Confident72 Ų7277.6 Ų77.628%0.28244%0.442SS..EExtended strand (participates in β ladder)trans-145.8149.1174.354.6-86.9000110E21 D23E21-Y155 HydrophobicContact CB-CD2 4.04Å; E21-Y155 HydrophobicContact CB-CE1 4.19Å; E21-Y155 HydrophobicContact CB-CE2 3.49Å; E21-Y155 VanDerWaalsContact CB-CE2 3.49Å; E21-Y155 HydrophobicContact CG-CE2 4.16Å; E21-Y155 PolarHBondContact N-O 3.07Å; E21-Y155 PolarHBondContact O-N 2.66Å; E21-Y155 WeakPolarHBondContact OE2-CE2 3.43Å; E21-Y155 PolarHBondContact OE2-OH 2.95Å; D23-Y155 HydrophobicContact CB-CE1 3.9Å
156R91.2Very high70.8Confident94 Ų9483.2 Ų83.236%0.35547%0.468SS..  trans-78.7129.5172-168.5171.6-70.3155.1-3.6107.8E127 R158E127-R156 WeakPolarHBondContact OE1-CB 3.43Å; E127-R156 PolarHBondContact OE1-N 3.19Å; R156-R158 PolarHBondContact O-N 3.47Å
157P82.6Confident68.4Low28 Ų2885.4 Ų85.418%0.18249%0.49CS..  trans-54.3137.7169.2-1.15.3000107.7E19 E21 T159E19-P157 HydrophobicContact CG-CG 4.15Å; E19-P157 WeakPolarHBondContact O-CD 3.42Å; E21-P157 HydrophobicContact CG-CG 4.24Å; P157-T159 PolarHBondContact O-N 2.91Å
158R76.3Confident65.6Low250 Ų25090.9 Ų90.994%0.94352%0.517SS*.  trans-63.792.3170-75.5-177.2-174.91692106.7R156 S160R156-R158 PolarHBondContact O-N 3.47Å; R158-S160 PolarHBondContact O-N 2.9Å
159T58.3Low62.8Low102 Ų10298.5 Ų98.563%0.62655%0.552SS**  trans-56.4111.6171.828.90000106.7P157 T161P157-T159 PolarHBondContact O-N 2.91Å; T159-T161 VanDerWaalsContact C-N 3.27Å; T159-T161 PolarHBondContact O-N 3.08Å
160S36.5Very low59.9Low106 Ų106107.3 Ų107.374%0.74159%0.593SS**  trans-46.2105.2147.5-60.90000105.4R158 V162R158-S160 PolarHBondContact O-N 2.9Å; S160-V162 PolarHBondContact O-N 2.98Å
161T34.4Very low57Low131 Ų131108.2 Ų108.280%0.80461%0.61SS**  trans-62.781.6179-34.20000107.7T159 A163T159-T161 VanDerWaalsContact C-N 3.27Å; T159-T161 PolarHBondContact O-N 3.08Å; T161-A163 PolarHBondContact O-N 3.32Å
162V36.1Very low54.1Low128 Ų128110.8 Ų110.878%0.77662%0.618SS**  trans-78.190.7163.4-173.60000103.7S160 A164S160-V162 PolarHBondContact O-N 2.98Å; V162-A164 PolarHBondContact O-N 2.92Å
163A37.7Very low51.3Low72 Ų72116.9 Ų116.960%0.59566%0.656SS**  trans-52.1108.1164.800000106.5T161 T165T161-A163 PolarHBondContact O-N 3.32Å; A163-T165 PolarHBondContact O-N 2.96Å
164A36.1Very low48.3Very low95 Ų95119.6 Ų119.679%0.78568%0.677SS**  trans-65.192.9163.300000105.6V162 D166V162-A164 PolarHBondContact O-N 2.92Å; A164-D166 VanDerWaalsContact C-N 3.35Å; A164-D166 PolarHBondContact O-N 3.41Å
165T34.4Very low45.3Very low126 Ų126123.5 Ų123.577%0.77371%0.711SS**  trans-68100.8168.9-39.60000106.2A163 G167A163-T165 PolarHBondContact O-N 2.96Å; T165-G167 PolarHBondContact O-N 3.38Å
166D35Very low42.1Very low170 Ų170125.6 Ų125.691%0.90974%0.736SS**  trans-53.1105.7160.1-96.9-31.8000107.6A164A164-D166 VanDerWaalsContact C-N 3.35Å; A164-D166 PolarHBondContact O-N 3.41Å
167G36.3Very low39.3Very low69 Ų69127.4 Ų127.471%0.71176%0.758SS**  trans-143.782.3-175.700000108.9T165T165-G167 PolarHBondContact O-N 3.38Å
168L32.2Very low36.7Very low148 Ų148134.2 Ų134.278%0.77579%0.787SS**  trans-31.1144.5170.7-124.376.5000115.6
169E32.3Very low34.3Very low164 Ų164127.4 Ų127.477%0.76678%0.778SS**  trans66.197.5150.9-70.1179148.400118.4
170Q33.7Very low32.9Very low203 Ų203128.3 Ų128.395%0.94979%0.789SS**  trans-140.5118.7132.6-117.9172.333.800112
171T32.2Very low32.7Very low115 Ų115131.7 Ų131.771%0.70679%0.793SS**  trans-63.1137.6-179.4-55.90000112.9
172E31.9Very low33.1Very low168 Ų168131.1 Ų131.179%0.78579%0.791SS**  trans24118.9151.7-56.8179.1159.900119.1
173T36.7Very low32.9Very low141 Ų141132.3 Ų132.387%0.86579%0.792SS**  trans-150.2113.4130.6-53.50000109.8
174S31.5Very low32.2Very low116 Ų116140 Ų14081%0.81181%0.805SS**  trans-59.2125.2169.5-48.50000111.1
175A32.4Very low32Very low95 Ų95140.9 Ų140.979%0.78580%0.801SS**  trans-133.5100.7160.900000108.7
176S27.3Very low31.5Very low117 Ų117140.7 Ų140.782%0.81880%0.8SS**  trans-64.5127.9170.6-47.60000109.9
177T30.7Very low31.2Very low132 Ų132137.2 Ų137.281%0.8179%0.789SS**  trans-145.488153-39.60000109.3
178E29.3Very low30.6Very low170 Ų170139.9 Ų139.979%0.79479%0.792SS**  35.998.4128.9-145168.4-17200118.7
179S25.9Very low30.5Very low107 Ų107140.6 Ų140.675%0.74879%0.791SS**  24.4105.3122.2177.10000117.4
180S29.1Very low30Very low122 Ų122139 Ų13985%0.85379%0.792SS**  trans-129.2105.5147.830.20000109.4
181Q31.2Very low29.8Very low177 Ų177137.6 Ų137.683%0.82779%0.788SS**  trans-75.5167.6171.2-105.8-169.7-13.900111.4
182P43.6Very low29.4Very low119 Ų119138.4 Ų138.477%0.77379%0.793SS**  trans-88.6134.3-14834.2-34.6000113.7
183I31Very low29.2Very low153 Ų153137.7 Ų137.779%0.78579%0.793SS**  trans-90.2113.5169-63.7174.9000109
184R23.9Very low28.7Very low232 Ų232136.4 Ų136.488%0.87579%0.79SS**  trans-65.1116.9161.8-176.5-173.4-158.6174.65.7108.9
185T31Very low28.3Very low114 Ų114137.1 Ų137.170%0.69979%0.789SS**  trans-138.7105.4161.7-27.20000110.4S187T185-S187 PolarHBondContact O-N 3.26Å
186T24.5Very low28Very low123 Ų123138.6 Ų138.676%0.75579%0.788SS**  trans-59.7119.9156.1-40.10000107.5
187S27.8Very low27.8Very low96 Ų96144.1 Ų144.167%0.67179%0.791SS**  trans-137.1114.1161.5-168.70000109.4T185 E189T185-S187 PolarHBondContact O-N 3.26Å; S187-E189 PolarHBondContact O-N 3.33Å
188T24.5Very low27.6Very low126 Ų126145.7 Ų145.777%0.77379%0.791SS**  trans-73.1104.1168.4-460000106.9
189E29.5Very low27.3Very low163 Ų163144.1 Ų144.176%0.76279%0.793SS**  trans-117.3104.6167.9-94.1-172.416300111.2S187 M191S187-E189 PolarHBondContact O-N 3.33Å; E189-M191 PolarHBondContact O-N 3.1Å
190T23.3Very low27.3Very low129 Ų129144.4 Ų144.479%0.79180%0.795SS**  trans-45.2110.9156.2-41.10000109.8
191M28.2Very low27.3Very low174 Ų174144.4 Ų144.486%0.85779%0.792SS**  trans-107.1116.1164.4-87.9-157.1170.800111.1E189E189-M191 PolarHBondContact O-N 3.1Å
192T25.3Very low26.9Very low132 Ų132141.7 Ų141.781%0.8179%0.793SS**  trans-63.3130.6177.5-20.80000110.8S194T192-S194 PolarHBondContact O-N 3.34Å
193I27.1Very low26Very low154 Ų154140.3 Ų140.379%0.7979%0.786SS**  trans-67.3108.5-180-62.2164.6000109.4
194S25.1Very low25.7Very low114 Ų114139.9 Ų139.980%0.79779%0.791SS**  trans-86.7117.1164.9-83.90000109.7T192 V196T192-S194 PolarHBondContact O-N 3.34Å; S194-V196 PolarHBondContact O-N 3.19Å
195T24.1Very low26Very low130 Ų130132.6 Ų132.680%0.79877%0.773SS**  trans-82.8109.5-175.9-46.60000108.8
196V25.7Very low26Very low126 Ų126131 Ų13176%0.76477%0.77SS**  trans-109.4112.6168.7-176.80000109S194 M198S194-V196 PolarHBondContact O-N 3.19Å; V196-M198 PolarHBondContact O-N 3.17Å
197R22.9Very low26.5Very low234 Ų234126.8 Ų126.888%0.88375%0.752SS**  trans-74.2111.4-179.5-171.9-177.7-161.1162.43.1109
198M25.8Very low26.7Very low164 Ų164125.3 Ų125.381%0.80874%0.742SS**  trans-120.9111.8168.7-72.6-71.6-120.400108.7V196 S200V196-M198 PolarHBondContact O-N 3.17Å; M198-S200 PolarHBondContact O-N 2.67Å
199T24.1Very low27Very low137 Ų137122.7 Ų122.784%0.8473%0.732SS**PPolyproline II helixtrans-61.8118.5175.6160000110.5
200S25.4Very low27.1Very low113 Ų113122.6 Ų122.679%0.7973%0.73SS**PPolyproline II helixtrans-80.9137.8173.1-71.60000111M198M198-S200 PolarHBondContact O-N 2.67Å
201P28.7Very low27.2Very low122 Ų122122.6 Ų122.679%0.79273%0.725SS**PPolyproline II helixtrans-86.4132.1169.622.1-11.6000111.6
202S22.7Very low27.2Very low120 Ų120119.8 Ų119.884%0.83971%0.706SS**PPolyproline II helixtrans-58.4134.9178.3-45.70000112.8
203S26.3Very low27.2Very low90 Ų90119.2 Ų119.263%0.62971%0.707SS**  trans-135.4108.5164.654.50000111.3
204T23.7Very low27.2Very low144 Ų144118.3 Ų118.388%0.88371%0.709SS**  trans-66.9127.6170.7350000111.1
205T31.2Very low27.2Very low80 Ų80120.7 Ų120.749%0.49171%0.712SS.*  trans-143.9136.9169.1-46.60000109.8R321T205-R321 PolarHBondContact O-NH1 3.38Å; T205-R321 PolarHBondContact O-NH2 2.8Å
206A30.6Very low27.1Very low79 Ų79124.3 Ų124.365%0.65372%0.717SS**PPolyproline II helixtrans-94.8139-167.700000113N102N102-A206 PolarHBondContact ND2-O 3.06Å
207G33.5Very low27.1Very low36 Ų36124 Ų12437%0.37172%0.72SS.*PPolyproline II helixtrans-89.1154.8-168.500000116.8T323G207-T323 WeakPolarHBondContact CA-OG1 3.41Å
208S33.4Very low27.1Very low65 Ų65115.9 Ų115.946%0.45571%0.709SS.*PPolyproline II helixtrans-100122.9-176.846.60000114.4T323S208-T323 VanDerWaalsContact C-CG2 3.46Å; S208-T323 PolarHBondContact N-OG1 2.75Å; S208-T323 VanDerWaalsContact N-OG1 3.15Å; S208-T323 WeakPolarHBondContact O-CB 3.36Å; S208-T323 WeakPolarHBondContact O-CG2 3.31Å
209A30.1Very low27.1Very low70 Ų70115.4 Ų115.458%0.57971%0.71SS**PPolyproline II helixtrans-74.3126.4-179.400000113.4V325A209-V325 HydrophobicContact CB-CG2 3.29Å
210F32.7Very low27.1Very low162 Ų162115.4 Ų115.471%0.71171%0.71SS**PPolyproline II helixtrans-96.9137.5169.8-95.7-89.3000112.4V325F210-V325 WeakPolarHBondContact O-CG2 3.4Å
211D24.5Very low27.2Very low129 Ų129118.7 Ų118.769%0.6971%0.71SS**  trans-104.2135.6-175.2-153.25.4000112.7R327D211-R327 IonicContact OD1-CZ 3.38Å; D211-R327 IonicContact OD1-NH2 3.79Å; D211-R327 PolarHBondContact OD1-NH2 3.43Å
212Y28.5Very low27Very low114 Ų114118.2 Ų118.245%0.44771%0.71SS.*PPolyproline II helixtrans-90.9118.9-177.9-82.1-95.2000110.3
213S25.9Very low27.4Very low120 Ų120117.5 Ų117.584%0.83971%0.705SS**PPolyproline II helixtrans-100.6124.1158.4-73.40000109.7
214T26.8Very low27.5Very low135 Ų135118.3 Ų118.383%0.82871%0.71SS**PPolyproline II helixtrans-68.1133.1-171.4-30.90000110.5K216T214-K216 PolarHBondContact O-N 2.74Å
215L23.4Very low27.6Very low164 Ų164119.3 Ų119.386%0.85971%0.71SS**PPolyproline II helixtrans-47.5119.7166.3-92.288.8000110
216K23Very low27.5Very low207 Ų207121.8 Ų121.890%0.972%0.724SS**  trans-118.9117.5151.4-103.7-173.6175.9-176.50108.1T214T214-K216 PolarHBondContact O-N 2.74Å
217S25.2Very low27.3Very low118 Ų118123.9 Ų123.983%0.82573%0.73SS**  trans-64.7142.6176.8-27.10000111.3
218G22.6Very low27.2Very low64 Ų64126.9 Ų126.966%0.6675%0.751SS**  trans103102.9164.300000113
219D26.1Very low26.9Very low154 Ų154132.1 Ų132.182%0.82477%0.768SS**  -165.1120.8120.1-88.8-25.7000110.2F221D219-F221 PolarHBondContact O-N 2.95Å
220T24Very low27Very low137 Ų137133.8 Ų133.884%0.8478%0.776SS**  trans-68.8107.4174.9-55.70000109
221F27.2Very low26.7Very low183 Ų183134.8 Ų134.880%0.80378%0.78SS**  trans-101.996.9167.8-106.4-91.4000110D219D219-F221 PolarHBondContact O-N 2.95Å
222S25.6Very low27.1Very low112 Ų112134.2 Ų134.278%0.78378%0.781SS**  trans-74.4117.5153.6-76.50000108
223S30.4Very low27.2Very low105 Ų105136 Ų13673%0.73480%0.798SS**  trans-124.2104.2162.444.20000109.2
224S28.2Very low27.4Very low106 Ų106135.6 Ų135.674%0.74179%0.791SS**  trans-55.6134.7174.739.50000113.2T226S224-T226 PolarHBondContact O-N 2.94Å
225L25.5Very low27.4Very low166 Ų166136.1 Ų136.187%0.86979%0.794SS**  trans-50.8122162.1-104.972.9000110.8
226T29.2Very low27.8Very low131 Ų131133.2 Ų133.280%0.80478%0.783SS**  trans-109.9103.6157.947.10000109S224 A228S224-T226 PolarHBondContact O-N 2.94Å; T226-A228 PolarHBondContact O-N 2.77Å
227T26.5Very low28.1Very low124 Ų124132.3 Ų132.376%0.76178%0.782SS**  trans-59120.9165.8-42.10000109.4
228A31.8Very low28.3Very low99 Ų99132.8 Ų132.882%0.81878%0.78SS**  trans-121.397.9163.900000107.9T226 S230T226-A228 PolarHBondContact O-N 2.77Å; A228-S230 PolarHBondContact O-N 3.29Å
229E28Very low28.7Very low174 Ų174134.6 Ų134.681%0.81378%0.783SS**  trans-54.1126.9162.6-79.7175.7116.200109.7
230S30.7Very low28.8Very low106 Ų106132.3 Ų132.374%0.74178%0.779SS**  trans-135.597.8154.1-176.50000108.6A228 T232A228-S230 PolarHBondContact O-N 3.29Å; S230-T232 PolarHBondContact O-N 2.96Å
231K27.8Very low29Very low183 Ų183131.4 Ų131.480%0.79677%0.773SS**  trans-54.6120.3162.1-89.5169.5170163.30109.7
232T31.5Very low29Very low116 Ų116128.6 Ų128.671%0.71277%0.771SS**  trans-139.5105.8148.2-36.70000108.5S230 T234S230-T232 PolarHBondContact O-N 2.96Å; T232-T234 PolarHBondContact O-N 3.41Å
233N30.7Very low29.2Very low153 Ų153129.9 Ų129.982%0.81877%0.768SS**  trans-68106.1171.6-72.8-18.7000108.4
234T31.1Very low28.9Very low110 Ų110130.3 Ų130.368%0.67577%0.766SS**  trans-123.7102.9160.7-48.10000107.7T232 T236T232-T234 PolarHBondContact O-N 3.41Å; T234-T236 VanDerWaalsContact C-N 3.33Å; T234-T236 PolarHBondContact O-N 2.9Å
235T27.3Very low29.1Very low146 Ų146130.8 Ų130.890%0.89676%0.764SS**  trans-68.289.4174-38.80000108.1
236T31.3Very low29.3Very low104 Ų104131.9 Ų131.964%0.63877%0.765SS**  trans-98.9119.6169.5-47.70000107.3T234 V238T234-T236 VanDerWaalsContact C-N 3.33Å; T234-T236 PolarHBondContact O-N 2.9Å; T236-V238 WeakPolarHBondContact O-CG2 3.28Å; T236-V238 PolarHBondContact O-N 3.29Å
237E28.4Very low29.5Very low187 Ų187127.4 Ų127.487%0.87474%0.739SS**  trans-48.3103.6172.7-83.2176.8128.500110.1S239E237-S239 VanDerWaalsContact C-N 3.35Å; E237-S239 PolarHBondContact O-N 3Å; E237-S239 VanDerWaalsContact O-N 3.08Å
238V30.8Very low30Very low129 Ų129127.1 Ų127.178%0.78274%0.737SS**  trans-8091.3172.8-177.90000106.6T236 S240T236-V238 WeakPolarHBondContact O-CG2 3.28Å; T236-V238 PolarHBondContact O-N 3.29Å; V238-S240 VanDerWaalsContact C-N 3.34Å; V238-S240 PolarHBondContact O-N 2.86Å
239S30.9Very low30.1Very low102 Ų102128.4 Ų128.471%0.71372%0.721SS**  trans-57.8103.7156.4-75.70000107.2E237 T241E237-S239 VanDerWaalsContact C-N 3.35Å; E237-S239 PolarHBondContact O-N 3Å; E237-S239 VanDerWaalsContact O-N 3.08Å; S239-T241 VanDerWaalsContact C-N 3.29Å; S239-T241 PolarHBondContact O-N 3.33Å
240S28.4Very low31Very low106 Ų106122.3 Ų122.374%0.74169%0.694SS**  trans-71.285.2179.154.60000109.2V238 T242V238-S240 VanDerWaalsContact C-N 3.34Å; V238-S240 PolarHBondContact O-N 2.86Å; S240-T242 PolarHBondContact O-N 2.97Å
241T28Very low32.1Very low118 Ų118120.4 Ų120.472%0.72469%0.691SS**  trans-76.2110.6169.8-40.40000107.8S239 I243S239-T241 VanDerWaalsContact C-N 3.29Å; S239-T241 PolarHBondContact O-N 3.33Å; T241-I243 PolarHBondContact O-N 3.22Å
242T27.9Very low33.9Very low124 Ų124121.4 Ų121.476%0.76169%0.69SS**  trans-62.699.1174.2-49.10000108.8S240 T244S240-T242 PolarHBondContact O-N 2.97Å; T242-T244 PolarHBondContact O-N 3.44Å; T242-T244 VanDerWaalsContact O-N 3.09Å
243I29.5Very low35.9Very low138 Ų138116.5 Ų116.571%0.70866%0.66SS**  trans-72.899.9172.1-56.2172.1000106.4T241 T245T241-I243 PolarHBondContact O-N 3.22Å; I243-T245 VanDerWaalsContact C-N 3.27Å; I243-T245 HydrophobicContact CG2-CG2 4.06Å; I243-T245 PolarHBondContact O-N 3Å
244T24.5Very low38.3Very low114 Ų114112.6 Ų112.670%0.69964%0.636SS**  trans-7089.6165.36.60000107.9T242 E246T242-T244 PolarHBondContact O-N 3.44Å; T242-T244 VanDerWaalsContact O-N 3.09Å; T244-E246 PolarHBondContact O-N 3.24Å
245T31.3Very low41Very low116 Ų116107.4 Ų107.471%0.71260%0.603SS**  trans-68.2107163.2460000107.6I243 S247I243-T245 VanDerWaalsContact C-N 3.27Å; I243-T245 HydrophobicContact CG2-CG2 4.06Å; I243-T245 PolarHBondContact O-N 3Å; T245-S247 PolarHBondContact O-N 3.38Å
246E30.5Very low44.1Very low190 Ų190102.8 Ų102.889%0.88857%0.572SS**  trans-64.899167.4-73.2-174.1165.800108T244 V248T244-E246 PolarHBondContact O-N 3.24Å; E246-V248 PolarHBondContact O-N 2.84Å
247S33Very low47Very low36 Ų3697.8 Ų97.825%0.25254%0.541SS..  trans-69.4113.4175.352.70000108.8T245 Y249T245-S247 PolarHBondContact O-N 3.38Å; S247-Y249 WeakPolarHBondContact O-CD2 3.44Å; S247-Y249 PolarHBondContact O-N 3.49Å; S247-Y249 PolarHBondContact OG-OH 3.37Å
248V36.4Very low50.1Low118 Ų11889.7 Ų89.772%0.71550%0.504SS*.  trans-61.3107.9168.2177.60000107.7E246 I250E246-V248 PolarHBondContact O-N 2.84Å; V248-I250 PolarHBondContact O-N 3.05Å
249Y34.9Very low53.2Low126 Ų12683.5 Ų83.549%0.49447%0.466SS..  trans-75.1111.8-180-69.3-68.2000110.1S247 G251 Q403S247-Y249 WeakPolarHBondContact O-CD2 3.44Å; S247-Y249 PolarHBondContact O-N 3.49Å; S247-Y249 PolarHBondContact OG-OH 3.37Å; Y249-G251 PolarHBondContact O-N 2.61Å; Y249-Q403 HydrophobicContact CD1-CB 4.27Å; Y249-Q403 HydrophobicContact CD1-CG 3.4Å; Y249-Q403 VanDerWaalsContact CD1-CG 3.4Å; Y249-Q403 HydrophobicContact CE1-CG 3.44Å; Y249-Q403 VanDerWaalsContact CE1-CG 3.44Å; Y249-Q403 HydrophobicContact CG-CG 4.28Å; Y249-Q403 PolarHBondContact OH-NE2 3.47Å
250I47.3Very low56.2Low47 Ų4781.1 Ų81.124%0.24144%0.443CS..  trans-86.9112176.7-47.8-178.6000108.3V248 R252 F254 N401 T402V248-I250 PolarHBondContact O-N 3.05Å; I250-R252 WeakPolarHBondContact CG2-O 3.34Å; I250-R252 PolarHBondContact O-N 3.46Å; I250-F254 HydrophobicContact CG2-CD1 3.84Å; I250-F254 HydrophobicContact CG2-CE1 3.36Å; I250-F254 HydrophobicContact CG2-CZ 4.3Å; I250-N401 PolarHBondContact N-O 3.44Å; I250-N401 VanDerWaalsContact N-O 3.1Å; I250-T402 HydrophobicContact CB-CG2 4.32Å
251G52Low59.3Low65 Ų6576.1 Ų76.167%0.6741%0.408SS*.SBendtrans-71.1-4.1-178.900000115.3Y249Y249-G251 PolarHBondContact O-N 2.61Å
252R66.7Low62.3Low205 Ų20571 Ų7177%0.77438%0.377SS*.SBendtrans-147.2142-179.1-63.9-174.6179.3-173-1.1110.8I250 F254I250-R252 WeakPolarHBondContact CG2-O 3.34Å; I250-R252 PolarHBondContact O-N 3.46Å; R252-F254 PolarHBondContact O-N 2.86Å
253V73Confident65.3Low13 Ų1365.1 Ų65.18%0.07934%0.34CS..  trans-69.8118.8170.2-173.40000108.3L356 I397 V405V253-L356 HydrophobicContact CG2-CD1 3.99Å; V253-L356 HydrophobicContact CG2-CG 4.29Å; V253-I397 HydrophobicContact CG1-CD1 3.78Å; V253-V405 HydrophobicContact CG2-CB 3.88Å; V253-V405 HydrophobicContact CG2-CG1 3.18Å; V253-V405 HydrophobicContact CG2-CG2 3.33Å
254F81.4Confident68.2Low71 Ų7160.6 Ų60.631%0.31132%0.315SS..  trans-138.8131.8165.767.4-94.7000110I250 R252 Q256 E352 L353 I397I250-F254 HydrophobicContact CG2-CD1 3.84Å; I250-F254 HydrophobicContact CG2-CE1 3.36Å; I250-F254 HydrophobicContact CG2-CZ 4.3Å; R252-F254 PolarHBondContact O-N 2.86Å; F254-Q256 HydrophobicContact CD2-CG 4.18Å; F254-E352 HydrophobicContact CB-CG 3.99Å; F254-L353 CarbonylContact C-O 3.38Å; F254-L353 VanDerWaalsContact CA-O 3.28Å; F254-L353 WeakPolarHBondContact CA-O 3.25Å; F254-I397 WeakPolarHBondContact O-CD1 3.23Å
255T87.6Confident71.1Confident0 Ų059.4 Ų59.40%030%0.3CS..EExtended strand (participates in β ladder)trans-121.4132.6174.7-63.80000108.6F257 L353 S359 S394T255-F257 HydrophobicContact CG2-CD2 4.29Å; T255-F257 HydrophobicContact CG2-CE2 3.52Å; T255-F257 HydrophobicContact CG2-CZ 3.99Å; T255-L353 PolarHBondContact N-O 3.47Å; T255-L353 PolarHBondContact O-N 2.88Å; T255-S359 VanDerWaalsContact OG1-CA 3.28Å; T255-S359 WeakPolarHBondContact OG1-CA 3.39Å; T255-S359 WeakPolarHBondContact OG1-CB 3.35Å; T255-S394 WeakPolarHBondContact CA-OG 3.49Å; T255-S394 WeakPolarHBondContact CG2-OG 3.4Å
256Q91.5Very high73.2Confident49 Ų4955.2 Ų55.223%0.22928%0.276CS..EExtended strand (participates in β ladder)trans-115.9136.1-173-68.2176.9-5.500111.2F254 T350 I351 E352 I393 S394F254-Q256 HydrophobicContact CD2-CG 4.18Å; Q256-T350 HydrophobicContact CB-CG2 4.02Å; Q256-T350 HydrophobicContact CG-CG2 4.18Å; Q256-I351 CarbonylContact C-O 3.52Å; Q256-I351 VanDerWaalsContact CA-O 3.28Å; Q256-I351 WeakPolarHBondContact CA-O 3.49Å; Q256-E352 HydrophobicContact CG-CB 4.25Å; Q256-E352 HydrophobicContact CG-CG 4.16Å; Q256-I393 HydrophobicContact CB-CD1 3.96Å; Q256-I393 HydrophobicContact CB-CG1 3.57Å; Q256-I393 WeakPolarHBondContact O-CG1 3.19Å; Q256-I393 PolarHBondContact O-N 3.48Å; Q256-S394 PolarHBondContact N-OG 3.15Å; Q256-S394 PolarHBondContact O-N 2.71Å; Q256-S394 PolarHBondContact O-OG 3.48Å
257F94Very high74.9Confident0 Ų052.6 Ų52.60%027%0.268CS..EExtended strand (participates in β ladder)trans-124.5133.8174.1-65.5-95.1000109.3T255 T350 I351 L353 L361 F366 T391 R392T255-F257 HydrophobicContact CG2-CD2 4.29Å; T255-F257 HydrophobicContact CG2-CE2 3.52Å; T255-F257 HydrophobicContact CG2-CZ 3.99Å; F257-T350 CarbonylContact O-C 3.54Å; F257-T350 WeakPolarHBondContact O-CA 3.43Å; F257-I351 PolarHBondContact N-O 3.12Å; F257-I351 PolarHBondContact O-N 2.91Å; F257-L353 HydrophobicContact CD2-CD1 4.08Å; F257-L353 HydrophobicContact CD2-CG 4.32Å; F257-L353 HydrophobicContact CE2-CD1 3.69Å; F257-L353 HydrophobicContact CE2-CG 4.33Å; F257-L361 HydrophobicContact CZ-CB 3.97Å; F257-F366 HydrophobicContact CB-CD1 4.28Å; F257-F366 HydrophobicContact CB-CD2 4.47Å; F257-F366 HydrophobicContact CB-CE1 3.94Å; F257-F366 HydrophobicContact CB-CE2 4.14Å; F257-F366 HydrophobicContact CB-CZ 3.85Å; F257-F366 HydrophobicContact CD1-CB 3.95Å; F257-F366 AromaticContact CD1-CD1 3.88Å; F257-F366 HydrophobicContact CD1-CD1 3.88Å; F257-F366 AromaticContact CD1-CD2 3.98Å; F257-F366 HydrophobicContact CD1-CD2 3.98Å; F257-F366 HydrophobicContact CD1-CE1 4.39Å; F257-F366 HydrophobicContact CD1-CE2 4.48Å; F257-F366 AromaticContact CD1-CG 3.65Å; F257-F366 HydrophobicContact CD1-CG 3.65Å; F257-F366 AromaticContact CD2-CD2 3.6Å; F257-F366 HydrophobicContact CD2-CD2 3.6Å; F257-F366 AromaticContact CD2-CE2 3.68Å; F257-F366 HydrophobicContact CD2-CE2 3.68Å; F257-F366 HydrophobicContact CD2-CG 4.16Å; F257-F366 HydrophobicContact CD2-CZ 4.28Å; F257-F366 HydrophobicContact CE1-CB 3.59Å; F257-F366 HydrophobicContact CE1-CD1 4.4Å; F257-F366 HydrophobicContact CE1-CD2 4.07Å; F257-F366 AromaticContact CE1-CG 3.77Å; F257-F366 HydrophobicContact CE1-CG 3.77Å; F257-F366 AromaticContact CE2-CD2 3.7Å; F257-F366 HydrophobicContact CE2-CD2 3.7Å; F257-F366 HydrophobicContact CE2-CE2 4.19Å; F257-F366 HydrophobicContact CE2-CG 4.26Å; F257-F366 HydrophobicContact CG-CD1 4.05Å; F257-F366 AromaticContact CG-CD2 3.76Å; F257-F366 HydrophobicContact CG-CD2 3.76Å; F257-F366 HydrophobicContact CG-CE1 4.14Å; F257-F366 AromaticContact CG-CE2 3.85Å; F257-F366 HydrophobicContact CG-CE2 3.85Å; F257-F366 AromaticContact CG-CG 3.86Å; F257-F366 HydrophobicContact CG-CG 3.86Å; F257-F366 HydrophobicContact CG-CZ 4.04Å; F257-F366 HydrophobicContact CZ-CB 3.95Å; F257-F366 AromaticContact CZ-CD2 3.94Å; F257-F366 HydrophobicContact CZ-CD2 3.94Å; F257-F366 HydrophobicContact CZ-CG 4.08Å; F257-T391 CarbonylContact C-O 3.38Å; F257-T391 VanDerWaalsContact CA-O 3.28Å; F257-T391 WeakPolarHBondContact CA-O 3.47Å; F257-R392 HydrophobicContact CD1-CB 3.84Å; F257-R392 HydrophobicContact CD1-CG 4.23Å; F257-R392 HydrophobicContact CE1-CB 3.67Å; F257-R392 HydrophobicContact CE1-CG 3.86Å; F257-R392 HydrophobicContact CZ-CB 4.46Å; F257-R392 HydrophobicContact CZ-CG 4.17Å
258N93.8Very high76.2Confident16 Ų1658.3 Ų58.39%0.08630%0.295CS..EExtended strand (participates in β ladder)trans-84.7128.3165.2-173.617.3000108.8S348 A349 S390 T391 I393N258-S348 PolarHBondContact ND2-OG 3.09Å; N258-S348 PolarHBondContact OD1-OG 3.22Å; N258-A349 CarbonylContact C-O 3.52Å; N258-A349 WeakPolarHBondContact CA-O 3.36Å; N258-A349 PolarHBondContact OD1-O 2.95Å; N258-S390 CarbonylContact O-C 3.52Å; N258-S390 VanDerWaalsContact O-CA 3.23Å; N258-S390 WeakPolarHBondContact O-CA 3.04Å; N258-T391 PolarHBondContact N-O 3.22Å; N258-T391 PolarHBondContact O-N 2.87Å; N258-I393 HydrophobicContact CB-CG2 3.78Å
259V95.2Very high77.2Confident0 Ų055.6 Ų55.60%029%0.285CS..EExtended strand (participates in β ladder)trans-117.1125.6177.9178.30000108.8I297 S348 A349 I351 F366 L370 L388 E389V259-I297 HydrophobicContact CB-CD1 4.16Å; V259-I297 HydrophobicContact CG1-CD1 3.75Å; V259-I297 HydrophobicContact CG1-CG1 4.24Å; V259-S348 CarbonylContact O-C 3.57Å; V259-S348 WeakPolarHBondContact O-CA 3.17Å; V259-A349 PolarHBondContact N-O 3.25Å; V259-A349 PolarHBondContact O-N 3.22Å; V259-I351 HydrophobicContact CB-CG1 4.26Å; V259-I351 HydrophobicContact CG2-CG1 3.64Å; V259-F366 HydrophobicContact CG2-CE1 3.67Å; V259-F366 HydrophobicContact CG2-CZ 4Å; V259-L370 HydrophobicContact CG1-CD2 3.69Å; V259-L370 HydrophobicContact CG2-CD2 4.18Å; V259-L388 HydrophobicContact CG1-CD2 4.27Å; V259-E389 CarbonylContact C-O 3.58Å; V259-E389 WeakPolarHBondContact CA-O 3.39Å
260K93.3Very high79.2Confident52 Ų5251 Ų5123%0.22628%0.276CS..EExtended strand (participates in β ladder)trans-113.6143.8176.9-65.2178.7-176.3176.40109.9G347 S348 L388 E389K260-G347 CarbonylContact C-O 3.52Å; K260-G347 VanDerWaalsContact CA-O 3.27Å; K260-G347 WeakPolarHBondContact CA-O 3.4Å; K260-S348 WeakPolarHBondContact CG-OG 3.37Å; K260-L388 WeakPolarHBondContact O-CA 3.09Å; K260-E389 PolarHBondContact N-O 3.39Å; K260-E389 PolarHBondContact O-N 3.15Å
261G92.8Very high80.9Confident0 Ų049.4 Ų49.40%027%0.268CS..EExtended strand (participates in β ladder)trans-163.6145175.600000112Q346 G347G261-Q346 CarbonylContact O-C 3.57Å; G261-Q346 WeakPolarHBondContact O-CA 3.12Å; G261-G347 PolarHBondContact N-O 3.43Å; G261-G347 PolarHBondContact O-N 3.01Å
262V91.1Very high82.7Confident11 Ų1147.2 Ų47.27%0.06724%0.241CC..EExtended strand (participates in β ladder)trans-87.8130.5177.3-178.40000109.5Y264 I324 Q346 L385 N386V262-Y264 HydrophobicContact CB-CE2 3.87Å; V262-Y264 HydrophobicContact CG1-CD2 4.25Å; V262-Y264 HydrophobicContact CG1-CE2 3.49Å; V262-Y264 VanDerWaalsContact CG1-CE2 3.49Å; V262-Y264 WeakPolarHBondContact O-CD2 3.39Å; V262-I324 HydrophobicContact CG1-CD1 3.4Å; V262-I324 VanDerWaalsContact CG1-CD1 3.4Å; V262-I324 HydrophobicContact CG1-CG1 4.37Å; V262-Q346 HydrophobicContact CG2-CB 4.4Å; V262-Q346 HydrophobicContact CG2-CG 4.28Å; V262-L385 WeakPolarHBondContact O-CA 3.42Å; V262-N386 PolarHBondContact N-O 2.04Å; V262-N386 PolarHBondContact O-N 2.93Å
263L92.1Very high83.7Confident0 Ų040.6 Ų40.60%023%0.225CC..EExtended strand (participates in β ladder)trans-91.8128.4-175.8-65.791.3000112.4I272 L289 F293 F319 V345 G347 L384 L385L263-I272 HydrophobicContact CB-CD1 4.01Å; L263-L289 HydrophobicContact CD2-CD1 3.64Å; L263-L289 HydrophobicContact CD2-CD2 4.24Å; L263-L289 HydrophobicContact CD2-CG 3.89Å; L263-F293 HydrophobicContact CD1-CD2 3.83Å; L263-F293 HydrophobicContact CD1-CE2 4.07Å; L263-F293 HydrophobicContact CD2-CB 4.34Å; L263-F293 HydrophobicContact CD2-CD2 3.99Å; L263-F293 HydrophobicContact CG-CD2 4.01Å; L263-F319 HydrophobicContact CD1-CD1 4.38Å; L263-F319 HydrophobicContact CD1-CE1 4.1Å; L263-F319 HydrophobicContact CD2-CE1 4.39Å; L263-V345 HydrophobicContact CD1-CB 4.39Å; L263-V345 HydrophobicContact CD1-CG1 4.04Å; L263-V345 WeakPolarHBondContact CD1-O 3.47Å; L263-V345 PolarHBondContact N-O 2.58Å; L263-G347 VanDerWaalsContact CD1-N 3.26Å; L263-L384 CarbonylContact C-O 3.59Å; L263-L384 WeakPolarHBondContact CA-O 3.26Å; L263-L385 HydrophobicContact CD2-CD2 4.43Å; L263-L385 HydrophobicContact CG-CD2 3.83Å
264Y89.1Confident84.6Confident44 Ų4442 Ų4217%0.17323%0.229CC..EExtended strand (participates in β ladder)trans-120.6160.1177.1-69.1-98000110.5V262 I271 A383 L384 N386V262-Y264 HydrophobicContact CB-CE2 3.87Å; V262-Y264 HydrophobicContact CG1-CD2 4.25Å; V262-Y264 HydrophobicContact CG1-CE2 3.49Å; V262-Y264 VanDerWaalsContact CG1-CE2 3.49Å; V262-Y264 WeakPolarHBondContact O-CD2 3.39Å; Y264-I271 HydrophobicContact CD1-CG1 3.95Å; Y264-I271 HydrophobicContact CE1-CD1 4.34Å; Y264-I271 HydrophobicContact CE1-CG1 3.7Å; Y264-A383 CarbonylContact O-C 3.6Å; Y264-A383 WeakPolarHBondContact O-CA 3.28Å; Y264-L384 PolarHBondContact N-O 3.25Å; Y264-L384 PolarHBondContact O-N 2.93Å; Y264-N386 HydrophobicContact CD2-CB 3.89Å; Y264-N386 HydrophobicContact CE2-CB 3.53Å
265K86.3Confident85.1Confident88 Ų8840.4 Ų40.438%0.38323%0.226SC..EExtended strand (participates in β ladder)trans-80.7138172.5-62-178.9-174.9174.10110.6N267 A269 G270 I272 D382K265-N267 PolarHBondContact O-N 3.47Å; K265-A269 HydrophobicContact CB-CB 3.95Å; K265-A269 HydrophobicContact CD-CB 4.08Å; K265-G270 PolarHBondContact N-O 2.88Å; K265-I272 HydrophobicContact CG-CG1 3.65Å; K265-D382 CarbonylContact C-O 3.59Å; K265-D382 WeakPolarHBondContact CA-O 3.35Å
266S74.8Confident85.2Confident29 Ų2944.6 Ų44.620%0.20325%0.249CC..THydrogen-bonded Turntrans-61.6-37.7-174-167.20000114.9N268 S381 D382S266-N268 PolarHBondContact O-N 3.24Å; S266-S381 WeakPolarHBondContact CB-O 3.48Å; S266-S381 PolarHBondContact OG-O 3.29Å; S266-S381 VanDerWaalsContact OG-O 3.14Å; S266-D382 PolarHBondContact N-O 2.86Å
267N67.2Low85.1Confident135 Ų13545.7 Ų45.772%0.72226%0.256SS*.THydrogen-bonded Turntrans-79.533-173.3-61-17.2000114K265 A269K265-N267 PolarHBondContact O-N 3.47Å; N267-A269 HydrophobicContact CB-CB 4.35Å; N267-A269 PolarHBondContact O-N 3.44Å
268N59.4Low84.9Confident155 Ų15546.7 Ų46.783%0.82926%0.26SS*.SBendtrans52.218.6-166.9-72.4-12.6000113.4S266 G270S266-N268 PolarHBondContact O-N 3.24Å; N268-G270 PolarHBondContact O-N 2.9Å
269A58.9Low84.5Confident61 Ų6150.2 Ų50.250%0.50428%0.282SS..  trans-82.423.3-168.200000113.5K265 N267K265-A269 HydrophobicContact CB-CB 3.95Å; K265-A269 HydrophobicContact CD-CB 4.08Å; N267-A269 HydrophobicContact CB-CB 4.35Å; N267-A269 PolarHBondContact O-N 3.44Å
270G75.5Confident84Confident30 Ų3053.9 Ų53.931%0.30930%0.302SS..  trans82.1-156.9178.900000114.1K265 N268K265-G270 PolarHBondContact N-O 2.88Å; N268-G270 PolarHBondContact O-N 2.9Å
271I83.8Confident83.7Confident14 Ų1456.2 Ų56.27%0.07231%0.31CS..BIsolated β-bridgetrans-85.2145.8-171.2-60.7178.5000109.4Y264 P273 I324 I326Y264-I271 HydrophobicContact CD1-CG1 3.95Å; Y264-I271 HydrophobicContact CE1-CD1 4.34Å; Y264-I271 HydrophobicContact CE1-CG1 3.7Å; I271-P273 VanDerWaalsContact O-CD 3.28Å; I271-P273 WeakPolarHBondContact O-CD 3.38Å; I271-I324 HydrophobicContact CD1-CB 3.46Å; I271-I324 VanDerWaalsContact CD1-CB 3.46Å; I271-I324 HydrophobicContact CD1-CD1 3.78Å; I271-I324 HydrophobicContact CD1-CG1 4.23Å; I271-I324 HydrophobicContact CD1-CG2 3.34Å; I271-I324 HydrophobicContact CG1-CD1 4.36Å; I271-I324 HydrophobicContact CG2-CD1 3.68Å; I271-I326 HydrophobicContact CD1-CD1 3.56Å; I271-I326 HydrophobicContact CD1-CG1 3.5Å; I271-I326 VanDerWaalsContact CD1-CG1 3.5Å; I271-I326 HydrophobicContact CG1-CD1 3.9Å; I271-I326 HydrophobicContact CG1-CG1 4.26Å
272I88.4Confident83.4Confident18 Ų1864 Ų649%0.09235%0.347CS..  trans-72.9112.1167-69.4172.1000106.9L263 K265 L289 G344 V345 A383L263-I272 HydrophobicContact CB-CD1 4.01Å; K265-I272 HydrophobicContact CG-CG1 3.65Å; I272-L289 HydrophobicContact CD1-CD1 4.13Å; I272-L289 HydrophobicContact CG2-CD2 4.47Å; I272-G344 VanDerWaalsContact O-CA 3.3Å; I272-G344 WeakPolarHBondContact O-CA 3.09Å; I272-V345 HydrophobicContact CG2-CG2 3.99Å; I272-V345 PolarHBondContact O-N 3.43Å; I272-A383 HydrophobicContact CD1-CB 3.91Å
273P88.8Confident83.4Confident67 Ų6764.1 Ų64.144%0.43535%0.347SS..BIsolated β-bridgetrans-66146.6-175.628.8-34.8000110.3I271 D343I271-P273 VanDerWaalsContact O-CD 3.28Å; I271-P273 WeakPolarHBondContact O-CD 3.38Å; P273-D343 WeakPolarHBondContact CA-O 3.41Å
274W92.3Very high83.4Confident42 Ų4273 Ų7316%0.15939%0.386CS..  trans-58.9141.3171-179.5-98.4000111.2D276 Y278 T279 F319 I320 R321 D343 V345W274-D276 PolarHBondContact NE1-OD1 3.48Å; W274-Y278 HydrophobicContact CD2-CD2 4.32Å; W274-Y278 AromaticContact CE3-CD2 3.99Å; W274-Y278 HydrophobicContact CE3-CD2 3.99Å; W274-Y278 HydrophobicContact CZ3-CD2 4.24Å; W274-T279 HydrophobicContact CH2-CG2 4.25Å; W274-T279 HydrophobicContact CZ2-CG2 3.71Å; W274-F319 HydrophobicContact CZ3-CB 4.09Å; W274-I320 VanDerWaalsContact CZ3-C 3.41Å; W274-R321 HydrophobicContact CB-CG 4.02Å; W274-R321 HydrophobicContact CD2-CB 3.52Å; W274-R321 HydrophobicContact CD2-CG 3.65Å; W274-R321 HydrophobicContact CE3-CB 3.6Å; W274-R321 HydrophobicContact CE3-CG 4.07Å; W274-R321 HydrophobicContact CG-CB 4.06Å; W274-R321 HydrophobicContact CG-CG 3.59Å; W274-R321 HydrophobicContact CH2-CB 4.08Å; W274-R321 HydrophobicContact CZ2-CB 4Å; W274-R321 HydrophobicContact CZ3-CB 3.9Å; W274-D343 HydrophobicContact CB-CB 4.06Å; W274-D343 PolarHBondContact N-O 2.91Å; W274-V345 HydrophobicContact CE3-CG2 4.18Å
275S91.5Very high83.5Confident37 Ų3774.7 Ų74.726%0.25940%0.397SS..  trans-132139.3169.2178.60000108.2D277 Y278S275-D277 PolarHBondContact O-N 2.75Å; S275-D277 VanDerWaalsContact O-N 3.16Å; S275-D277 PolarHBondContact OG-N 2.71Å; S275-Y278 VanDerWaalsContact N-CD2 3.32Å; S275-Y278 VanDerWaalsContact N-CE2 3.32Å; S275-Y278 WeakPolarHBondContact O-CB 3.36Å; S275-Y278 WeakPolarHBondContact O-CD2 3.43Å; S275-Y278 PolarHBondContact O-N 2.86Å
276D89.5Confident83.9Confident89 Ų8971.4 Ų71.448%0.47638%0.383SS..G310 helixtrans-63-21.6177.2-62.6-31.5000111.9W274 Y278 T279W274-D276 PolarHBondContact NE1-OD1 3.48Å; D276-Y278 PolarHBondContact O-N 2.89Å; D276-Y278 VanDerWaalsContact O-N 3.13Å; D276-T279 WeakPolarHBondContact O-CB 3.33Å; D276-T279 PolarHBondContact O-N 2.84Å; D276-T279 PolarHBondContact O-OG1 3.31Å
277D90.3Very high84.7Confident72 Ų7274.6 Ų74.639%0.38540%0.396SS..G310 helixtrans-60.6-19.9172.9-72.7-37.3000113.6S275 T279 N280 S283 I285S275-D277 PolarHBondContact O-N 2.75Å; S275-D277 VanDerWaalsContact O-N 3.16Å; S275-D277 PolarHBondContact OG-N 2.71Å; D277-T279 PolarHBondContact O-N 2.93Å; D277-N280 PolarHBondContact O-N 2.89Å; D277-S283 WeakPolarHBondContact O-CB 3.29Å; D277-S283 PolarHBondContact O-OG 3.39Å; D277-I285 HydrophobicContact CB-CD1 4.34Å; D277-I285 WeakPolarHBondContact OD2-CD1 3.28Å
278Y88.9Confident86Confident20 Ų2071.8 Ų71.88%0.07839%0.387CS..G310 helixtrans-72.2-12.4174.8-60.9-46.7000113.6W274 S275 D276 I285 Y286 L289 F319 V345W274-Y278 HydrophobicContact CD2-CD2 4.32Å; W274-Y278 AromaticContact CE3-CD2 3.99Å; W274-Y278 HydrophobicContact CE3-CD2 3.99Å; W274-Y278 HydrophobicContact CZ3-CD2 4.24Å; S275-Y278 VanDerWaalsContact N-CD2 3.32Å; S275-Y278 VanDerWaalsContact N-CE2 3.32Å; S275-Y278 WeakPolarHBondContact O-CB 3.36Å; S275-Y278 WeakPolarHBondContact O-CD2 3.43Å; S275-Y278 PolarHBondContact O-N 2.86Å; D276-Y278 PolarHBondContact O-N 2.89Å; D276-Y278 VanDerWaalsContact O-N 3.13Å; Y278-I285 HydrophobicContact CD1-CG2 4.42Å; Y278-I285 HydrophobicContact CE1-CG2 3.6Å; Y278-Y286 VanDerWaalsContact O-CD2 3.23Å; Y278-Y286 WeakPolarHBondContact O-CD2 3.16Å; Y278-L289 HydrophobicContact CD1-CD2 4.04Å; Y278-L289 HydrophobicContact CE1-CB 4.15Å; Y278-L289 HydrophobicContact CE1-CD2 3.38Å; Y278-L289 HydrophobicContact CE1-CG 4.4Å; Y278-L289 HydrophobicContact CE2-CD2 4.38Å; Y278-F319 HydrophobicContact CD1-CD2 4.09Å; Y278-F319 HydrophobicContact CG-CD2 4.31Å; Y278-V345 HydrophobicContact CD2-CG2 3.82Å; Y278-V345 HydrophobicContact CE2-CG2 3.46Å; Y278-V345 VanDerWaalsContact CE2-CG2 3.46Å
279T84.4Confident87.6Confident91 Ų9165.1 Ų65.156%0.55835%0.352SS*.G310 helixtrans-83.5-17.4171.566.50000112.5W274 D276 D277W274-T279 HydrophobicContact CH2-CG2 4.25Å; W274-T279 HydrophobicContact CZ2-CG2 3.71Å; D276-T279 WeakPolarHBondContact O-CB 3.33Å; D276-T279 PolarHBondContact O-N 2.84Å; D276-T279 PolarHBondContact O-OG1 3.31Å; D277-T279 PolarHBondContact O-N 2.93Å
280N85.7Confident89.3Confident77 Ų7762.8 Ų62.841%0.41233%0.332SS..  trans-99.1104.9179.6179.7-1.3000110.8D277 Q282 S283 Y286D277-N280 PolarHBondContact O-N 2.89Å; N280-Q282 PolarHBondContact O-N 2.83Å; N280-Q282 WeakPolarHBondContact OD1-CB 3.07Å; N280-Q282 PolarHBondContact OD1-N 3.23Å; N280-S283 VanDerWaalsContact O-CB 3.32Å; N280-S283 WeakPolarHBondContact O-CB 3.4Å; N280-S283 PolarHBondContact O-N 3.49Å; N280-S283 PolarHBondContact O-OG 2.82Å; N280-Y286 WeakPolarHBondContact O-CB 3.45Å
281Y86.4Confident90.2Very high101 Ų10163.4 Ų63.440%0.39634%0.335SS..THydrogen-bonded Turntrans-59-19.6-179.6-56.7-69.5000114.8Y286Y281-Y286 HydrophobicContact CD1-CD1 4.49Å; Y281-Y286 AromaticContact CD1-CE1 3.78Å; Y281-Y286 HydrophobicContact CD1-CE1 3.78Å; Y281-Y286 AromaticContact CD1-CE2 3.83Å; Y281-Y286 HydrophobicContact CD1-CE2 3.83Å; Y281-Y286 AromaticContact CD1-CZ 3.42Å; Y281-Y286 VanDerWaalsContact CD1-CZ 3.42Å; Y281-Y286 WeakPolarHBondContact CD1-OH 3.42Å; Y281-Y286 HydrophobicContact CE1-CE2 4.13Å; Y281-Y286 AromaticContact CE1-CZ 3.97Å; Y281-Y286 WeakPolarHBondContact O-CD1 3.41Å
282Q86.6Confident90.6Very high164 Ų16464.7 Ų64.777%0.76634%0.343SS*.THydrogen-bonded Turntrans-92.6-6.4177.4-59.5-176.2-2.200112.9N280N280-Q282 PolarHBondContact O-N 2.83Å; N280-Q282 WeakPolarHBondContact OD1-CB 3.07Å; N280-Q282 PolarHBondContact OD1-N 3.23Å
283S91.6Very high90.9Very high12 Ų1263.8 Ų63.88%0.08434%0.338CS..  trans-68.8139.8-179.890.10000110.2D277 N280 I285 Y286 I287D277-S283 WeakPolarHBondContact O-CB 3.29Å; D277-S283 PolarHBondContact O-OG 3.39Å; N280-S283 VanDerWaalsContact O-CB 3.32Å; N280-S283 WeakPolarHBondContact O-CB 3.4Å; N280-S283 PolarHBondContact O-N 3.49Å; N280-S283 PolarHBondContact O-OG 2.82Å; S283-I285 PolarHBondContact O-N 2.86Å; S283-Y286 PolarHBondContact O-N 3.16Å; S283-Y286 WeakPolarHBondContact OG-CB 3.23Å; S283-Y286 PolarHBondContact OG-N 3.38Å; S283-I287 WeakPolarHBondContact O-CG1 3.28Å; S283-I287 PolarHBondContact O-N 3.44Å
284K92.7Very high91.3Very high188 Ų18861.4 Ų61.482%0.81732%0.323SS*.Hα-helixtrans-60.3-33.7178.1-68.6-176.8178.4-179.60111.8S288K284-S288 VanDerWaalsContact O-CB 3.25Å; K284-S288 WeakPolarHBondContact O-CB 3.28Å; K284-S288 PolarHBondContact O-N 2.98Å
285I91.6Very high91.4Very high79 Ų7963.8 Ų63.841%0.40534%0.339SS..Hα-helixtrans-70.3-43.9-179.4-48.8-176.3000109.9D277 Y278 S283 L289D277-I285 HydrophobicContact CB-CD1 4.34Å; D277-I285 WeakPolarHBondContact OD2-CD1 3.28Å; Y278-I285 HydrophobicContact CD1-CG2 4.42Å; Y278-I285 HydrophobicContact CE1-CG2 3.6Å; S283-I285 PolarHBondContact O-N 2.86Å; I285-L289 WeakPolarHBondContact O-CB 3.39Å; I285-L289 PolarHBondContact O-N 3.47Å
286Y93.6Very high91.4Very high19 Ų1962.4 Ų62.48%0.07533%0.328CS..Hα-helixtrans-58.5-54173.1174.4-88.2000111.6Y278 N280 Y281 S283 S288 L289 A290 V317 F319Y278-Y286 VanDerWaalsContact O-CD2 3.23Å; Y278-Y286 WeakPolarHBondContact O-CD2 3.16Å; N280-Y286 WeakPolarHBondContact O-CB 3.45Å; Y281-Y286 HydrophobicContact CD1-CD1 4.49Å; Y281-Y286 AromaticContact CD1-CE1 3.78Å; Y281-Y286 HydrophobicContact CD1-CE1 3.78Å; Y281-Y286 AromaticContact CD1-CE2 3.83Å; Y281-Y286 HydrophobicContact CD1-CE2 3.83Å; Y281-Y286 AromaticContact CD1-CZ 3.42Å; Y281-Y286 VanDerWaalsContact CD1-CZ 3.42Å; Y281-Y286 WeakPolarHBondContact CD1-OH 3.42Å; Y281-Y286 HydrophobicContact CE1-CE2 4.13Å; Y281-Y286 AromaticContact CE1-CZ 3.97Å; Y281-Y286 WeakPolarHBondContact O-CD1 3.41Å; S283-Y286 PolarHBondContact O-N 3.16Å; S283-Y286 WeakPolarHBondContact OG-CB 3.23Å; S283-Y286 PolarHBondContact OG-N 3.38Å; Y286-S288 VanDerWaalsContact C-N 3.29Å; Y286-S288 PolarHBondContact O-N 3.2Å; Y286-L289 PolarHBondContact O-N 3.47Å; Y286-A290 HydrophobicContact CE1-CB 4.14Å; Y286-A290 VanDerWaalsContact O-CB 3.23Å; Y286-A290 WeakPolarHBondContact O-CB 3.33Å; Y286-A290 PolarHBondContact O-N 2.89Å; Y286-V317 PolarHBondContact OH-O 2.93Å; Y286-F319 AromaticContact CD2-CD2 3.55Å; Y286-F319 HydrophobicContact CD2-CD2 3.55Å; Y286-F319 AromaticContact CD2-CE2 3.85Å; Y286-F319 HydrophobicContact CD2-CE2 3.85Å; Y286-F319 AromaticContact CE2-CD2 3.56Å; Y286-F319 HydrophobicContact CE2-CD2 3.56Å; Y286-F319 AromaticContact CE2-CE2 3.86Å; Y286-F319 HydrophobicContact CE2-CE2 3.86Å
287I91.9Very high91.7Very high96 Ų9658.1 Ų58.149%0.49231%0.306SS..Hα-helixtrans-59.2-43-176.5-65.8167.3000110.7S283 A291S283-I287 WeakPolarHBondContact O-CG1 3.28Å; S283-I287 PolarHBondContact O-N 3.44Å; I287-A291 WeakPolarHBondContact O-CB 3.37Å; I287-A291 PolarHBondContact O-N 3.32Å
288S93.9Very high92Very high75 Ų7556 Ų5652%0.52429%0.294SS..Hα-helixtrans-63.2-50.4177.8-174.10000111.9K284 Y286 A290 A291 V292K284-S288 VanDerWaalsContact O-CB 3.25Å; K284-S288 WeakPolarHBondContact O-CB 3.28Å; K284-S288 PolarHBondContact O-N 2.98Å; Y286-S288 VanDerWaalsContact C-N 3.29Å; Y286-S288 PolarHBondContact O-N 3.2Å; S288-A290 VanDerWaalsContact C-N 3.35Å; S288-A290 PolarHBondContact O-N 3.06Å; S288-A291 PolarHBondContact O-N 3.14Å; S288-V292 WeakPolarHBondContact O-CG2 3.29Å; S288-V292 PolarHBondContact O-N 3.15Å
289L93.6Very high92.2Very high16 Ų1657.5 Ų57.58%0.08431%0.307CS..Hα-helixtrans-67.1-37.2-178.8-168.863.9000111.9L263 I272 Y278 I285 Y286 V292 F293 F319 V345L263-L289 HydrophobicContact CD2-CD1 3.64Å; L263-L289 HydrophobicContact CD2-CD2 4.24Å; L263-L289 HydrophobicContact CD2-CG 3.89Å; I272-L289 HydrophobicContact CD1-CD1 4.13Å; I272-L289 HydrophobicContact CG2-CD2 4.47Å; Y278-L289 HydrophobicContact CD1-CD2 4.04Å; Y278-L289 HydrophobicContact CE1-CB 4.15Å; Y278-L289 HydrophobicContact CE1-CD2 3.38Å; Y278-L289 HydrophobicContact CE1-CG 4.4Å; Y278-L289 HydrophobicContact CE2-CD2 4.38Å; I285-L289 WeakPolarHBondContact O-CB 3.39Å; I285-L289 PolarHBondContact O-N 3.47Å; Y286-L289 PolarHBondContact O-N 3.47Å; L289-V292 PolarHBondContact O-N 3.46Å; L289-F293 WeakPolarHBondContact O-CB 3.44Å; L289-F293 PolarHBondContact O-N 3.28Å; L289-F319 HydrophobicContact CB-CE2 3.89Å; L289-F319 HydrophobicContact CB-CZ 3.82Å; L289-F319 HydrophobicContact CD2-CD1 4.47Å; L289-F319 HydrophobicContact CD2-CD2 4.44Å; L289-F319 HydrophobicContact CD2-CE1 4.04Å; L289-F319 HydrophobicContact CD2-CE2 4.01Å; L289-F319 HydrophobicContact CD2-CZ 3.8Å; L289-F319 HydrophobicContact CG-CE1 4.09Å; L289-F319 HydrophobicContact CG-CE2 4.03Å; L289-F319 HydrophobicContact CG-CZ 3.56Å; L289-V345 HydrophobicContact CD2-CG1 4.11Å
290A94.5Very high92.7Very high11 Ų1153.2 Ų53.29%0.09128%0.281CS..Hα-helixtrans-63.2-42.3176.300000111.3Y286 S288 F293 C294 V317 F319Y286-A290 HydrophobicContact CE1-CB 4.14Å; Y286-A290 VanDerWaalsContact O-CB 3.23Å; Y286-A290 WeakPolarHBondContact O-CB 3.33Å; Y286-A290 PolarHBondContact O-N 2.89Å; S288-A290 VanDerWaalsContact C-N 3.35Å; S288-A290 PolarHBondContact O-N 3.06Å; A290-F293 PolarHBondContact O-N 2.76Å; A290-C294 WeakPolarHBondContact O-CB 3.31Å; A290-C294 PolarHBondContact O-N 2.85Å; A290-C294 PolarHBondContact O-SG 3.4Å; A290-V317 HydrophobicContact CB-CB 4.01Å; A290-V317 HydrophobicContact CB-CG1 3.96Å; A290-V317 HydrophobicContact CB-CG2 4.12Å; A290-F319 HydrophobicContact CB-CE2 4.09Å; A290-F319 HydrophobicContact CB-CZ 4.17Å
291A94.3Very high93.2Very high44 Ų4449.5 Ų49.536%0.36426%0.261SS..Hα-helixtrans-61.8-44174.100000111.7I287 S288 C294 N295I287-A291 WeakPolarHBondContact O-CB 3.37Å; I287-A291 PolarHBondContact O-N 3.32Å; S288-A291 PolarHBondContact O-N 3.14Å; A291-C294 PolarHBondContact O-N 3.26Å; A291-N295 VanDerWaalsContact O-CB 3.24Å; A291-N295 WeakPolarHBondContact O-CB 3.49Å; A291-N295 PolarHBondContact O-N 2.68Å; A291-N295 PolarHBondContact O-ND2 3.2Å
292V93.1Very high93.6Very high40 Ų4047.5 Ų47.524%0.24226%0.257CS..Hα-helixtrans-61.6-47.1175.9172.80000111.3S288 L289 N295 L296 A383S288-V292 WeakPolarHBondContact O-CG2 3.29Å; S288-V292 PolarHBondContact O-N 3.15Å; L289-V292 PolarHBondContact O-N 3.46Å; V292-N295 PolarHBondContact O-N 2.93Å; V292-L296 HydrophobicContact CG1-CD1 3.97Å; V292-L296 WeakPolarHBondContact O-CB 3.24Å; V292-L296 WeakPolarHBondContact O-CG 3.38Å; V292-L296 PolarHBondContact O-N 2.85Å; V292-A383 HydrophobicContact CG1-CB 3.69Å
293F94.6Very high93.9Very high0 Ų042.6 Ų42.60%024%0.238CC..Hα-helixtrans-58.9-50178.1-174.6-106.1000111.7L263 L289 A290 L296 I297 V317 F319 G347 A349 L385L263-F293 HydrophobicContact CD1-CD2 3.83Å; L263-F293 HydrophobicContact CD1-CE2 4.07Å; L263-F293 HydrophobicContact CD2-CB 4.34Å; L263-F293 HydrophobicContact CD2-CD2 3.99Å; L263-F293 HydrophobicContact CG-CD2 4.01Å; L289-F293 WeakPolarHBondContact O-CB 3.44Å; L289-F293 PolarHBondContact O-N 3.28Å; A290-F293 PolarHBondContact O-N 2.76Å; F293-L296 PolarHBondContact O-N 2.79Å; F293-I297 HydrophobicContact CD1-CD1 3.81Å; F293-I297 HydrophobicContact CE1-CD1 3.37Å; F293-I297 HydrophobicContact CE2-CD1 4.19Å; F293-I297 HydrophobicContact CG-CD1 4.39Å; F293-I297 HydrophobicContact CZ-CD1 3.58Å; F293-I297 WeakPolarHBondContact O-CG1 3.36Å; F293-I297 PolarHBondContact O-N 2.71Å; F293-I297 VanDerWaalsContact O-N 3.16Å; F293-V317 HydrophobicContact CD1-CG1 4.08Å; F293-F319 HydrophobicContact CB-CE1 4.42Å; F293-F319 HydrophobicContact CB-CZ 4.49Å; F293-G347 VanDerWaalsContact CZ-O 3.3Å; F293-G347 WeakPolarHBondContact CZ-O 3.36Å; F293-A349 HydrophobicContact CD1-CB 4Å; F293-A349 HydrophobicContact CE1-CB 3.57Å; F293-L385 HydrophobicContact CD2-CD1 4.35Å; F293-L385 HydrophobicContact CD2-CD2 3.56Å; F293-L385 HydrophobicContact CE2-CD1 4.23Å; F293-L385 HydrophobicContact CE2-CD2 3.65Å
294C95.7Very high94Very high17 Ų1743.4 Ų43.412%0.11525%0.245CC..Hα-helixtrans-62.4-44.6177.5-78.50000112.7A290 A291 L296 I297 I298 C314 V317A290-C294 WeakPolarHBondContact O-CB 3.31Å; A290-C294 PolarHBondContact O-N 2.85Å; A290-C294 PolarHBondContact O-SG 3.4Å; A291-C294 PolarHBondContact O-N 3.26Å; C294-L296 VanDerWaalsContact C-N 3.35Å; C294-L296 PolarHBondContact O-N 2.77Å; C294-I297 PolarHBondContact O-N 2.86Å; C294-I298 PolarHBondContact O-N 2.82Å; C294-C314 WeakPolarHBondContact CA-SG 2.98Å; C294-C314 HydrophobicContact CB-CB 3.41Å; C294-C314 VanDerWaalsContact CB-CB 3.41Å; C294-C314 WeakPolarHBondContact CB-SG 3.25Å; C294-C314 WeakPolarHBondContact SG-CB 3.46Å; C294-C314 CovalentContact SG-SG 2.03Å; C294-C314 PolarHBondContact SG-SG 3Å; C294-V317 WeakPolarHBondContact SG-CG2 3.35Å
295N94.1Very high93.8Very high92 Ų9237 Ų3749%0.49222%0.22SC..Hα-helixtrans-62.3-43.6-180-75.2-19.7000111.1A291 V292 I297 I298 S299A291-N295 VanDerWaalsContact O-CB 3.24Å; A291-N295 WeakPolarHBondContact O-CB 3.49Å; A291-N295 PolarHBondContact O-N 2.68Å; A291-N295 PolarHBondContact O-ND2 3.2Å; V292-N295 PolarHBondContact O-N 2.93Å; N295-I297 VanDerWaalsContact C-N 3.3Å; N295-I297 PolarHBondContact O-N 3.28Å; N295-I298 PolarHBondContact O-N 2.03Å; N295-S299 WeakPolarHBondContact O-CB 3.35Å; N295-S299 PolarHBondContact O-N 3.48Å; N295-S299 PolarHBondContact O-OG 2.93Å; N295-S299 VanDerWaalsContact O-OG 3.06Å
296L93.3Very high93.5Very high7 Ų737.3 Ų37.34%0.03723%0.226CC..Hα-helixtrans-57.2-44.9174.8-76.2167000111.3V292 F293 C294 S300 A383 L385V292-L296 HydrophobicContact CG1-CD1 3.97Å; V292-L296 WeakPolarHBondContact O-CB 3.24Å; V292-L296 WeakPolarHBondContact O-CG 3.38Å; V292-L296 PolarHBondContact O-N 2.85Å; F293-L296 PolarHBondContact O-N 2.79Å; C294-L296 VanDerWaalsContact C-N 3.35Å; C294-L296 PolarHBondContact O-N 2.77Å; L296-S300 VanDerWaalsContact O-CB 3.29Å; L296-S300 WeakPolarHBondContact O-CB 3.14Å; L296-S300 PolarHBondContact O-N 2.79Å; L296-S300 PolarHBondContact O-OG 3.38Å; L296-A383 HydrophobicContact CD1-CB 4.27Å; L296-A383 WeakPolarHBondContact CD1-O 3.49Å; L296-L385 HydrophobicContact CB-CD1 3.93Å; L296-L385 HydrophobicContact CB-CG 4.47Å; L296-L385 HydrophobicContact CD1-CD1 4.42Å; L296-L385 HydrophobicContact CD1-CD2 4.36Å; L296-L385 HydrophobicContact CD1-CG 4.1Å
297I95.5Very high93.2Very high0 Ų039.2 Ų39.20%024%0.241CC..Hα-helixtrans-67.1-52.7179.5-64.4167.1000111.4V259 F293 C294 N295 S299 S300 L301 I351 L370 L385V259-I297 HydrophobicContact CB-CD1 4.16Å; V259-I297 HydrophobicContact CG1-CD1 3.75Å; V259-I297 HydrophobicContact CG1-CG1 4.24Å; F293-I297 HydrophobicContact CD1-CD1 3.81Å; F293-I297 HydrophobicContact CE1-CD1 3.37Å; F293-I297 HydrophobicContact CE2-CD1 4.19Å; F293-I297 HydrophobicContact CG-CD1 4.39Å; F293-I297 HydrophobicContact CZ-CD1 3.58Å; F293-I297 WeakPolarHBondContact O-CG1 3.36Å; F293-I297 PolarHBondContact O-N 2.71Å; F293-I297 VanDerWaalsContact O-N 3.16Å; C294-I297 PolarHBondContact O-N 2.86Å; N295-I297 VanDerWaalsContact C-N 3.3Å; N295-I297 PolarHBondContact O-N 3.28Å; I297-S299 PolarHBondContact O-N 2.86Å; I297-S300 WeakPolarHBondContact O-CB 3.39Å; I297-S300 PolarHBondContact O-N 2.94Å; I297-L301 HydrophobicContact CG2-CD1 3.94Å; I297-L301 HydrophobicContact CG2-CG 4.41Å; I297-L301 WeakPolarHBondContact O-CG 3.47Å; I297-L301 PolarHBondContact O-N 3.38Å; I297-I351 HydrophobicContact CB-CD1 4.42Å; I297-I351 HydrophobicContact CG2-CD1 3.66Å; I297-I351 HydrophobicContact CG2-CG1 3.86Å; I297-L370 HydrophobicContact CG2-CD1 4.12Å; I297-L385 HydrophobicContact CG1-CD1 4.01Å
298I95.2Very high93Very high27 Ų2736 Ų3614%0.13822%0.224CC..Hα-helixtrans-68.3-36.4-176.6-43.5-66.5000111.7C294 N295 S300 L301 L302 A312 C314 I351C294-I298 PolarHBondContact O-N 2.82Å; N295-I298 PolarHBondContact O-N 2.03Å; I298-S300 VanDerWaalsContact C-N 3.3Å; I298-S300 PolarHBondContact O-N 2.83Å; I298-L301 HydrophobicContact CD1-CD1 4.36Å; I298-L301 PolarHBondContact O-N 2.88Å; I298-L302 HydrophobicContact CG2-CD1 4.47Å; I298-L302 WeakPolarHBondContact O-CB 3.46Å; I298-L302 VanDerWaalsContact O-CG 3.28Å; I298-L302 WeakPolarHBondContact O-CG 3.27Å; I298-L302 PolarHBondContact O-N 3.04Å; I298-A312 HydrophobicContact CD1-CB 4.12Å; I298-C314 HydrophobicContact CD1-CB 4.21Å; I298-C314 HydrophobicContact CG1-CB 4.19Å; I298-I351 HydrophobicContact CD1-CD1 4.13Å; I298-I351 HydrophobicContact CD1-CG2 4.1Å
299S94.4Very high92.9Very high52 Ų5232.5 Ų32.536%0.36420%0.199SC..Hα-helixtrans-64.3-37.4175.2-67.80000111.6N295 I297 T303N295-S299 WeakPolarHBondContact O-CB 3.35Å; N295-S299 PolarHBondContact O-N 3.48Å; N295-S299 PolarHBondContact O-OG 2.93Å; N295-S299 VanDerWaalsContact O-OG 3.06Å; I297-S299 PolarHBondContact O-N 2.86Å; S299-T303 VanDerWaalsContact O-CB 3.3Å; S299-T303 WeakPolarHBondContact O-CB 3.3Å; S299-T303 PolarHBondContact O-N 3.29Å; S299-T303 PolarHBondContact O-OG1 3.01Å
300S94.9Very high92.5Very high0 Ų037.6 Ų37.60%022%0.223CC..Hα-helixtrans-62.6-50.5173.6-59.60000111L296 I297 I298 L302 T303 A304 G373 Y374L296-S300 VanDerWaalsContact O-CB 3.29Å; L296-S300 WeakPolarHBondContact O-CB 3.14Å; L296-S300 PolarHBondContact O-N 2.79Å; L296-S300 PolarHBondContact O-OG 3.38Å; I297-S300 WeakPolarHBondContact O-CB 3.39Å; I297-S300 PolarHBondContact O-N 2.94Å; I298-S300 VanDerWaalsContact C-N 3.3Å; I298-S300 PolarHBondContact O-N 2.83Å; S300-L302 PolarHBondContact O-N 2.86Å; S300-T303 WeakPolarHBondContact O-CB 3.5Å; S300-T303 PolarHBondContact O-N 3.23Å; S300-A304 PolarHBondContact O-N 2.83Å; S300-G373 WeakPolarHBondContact O-CA 3.24Å; S300-Y374 WeakPolarHBondContact OG-CA 3.47Å; S300-Y374 WeakPolarHBondContact OG-CD2 3.45Å
301L95.4Very high92.1Very high0 Ų039.1 Ų39.10%024%0.24CC..Hα-helixtrans-59.4-49178.8-68.1173000111.9I297 I298 T303 A304 N305 F309 I351 F366 L370I297-L301 HydrophobicContact CG2-CD1 3.94Å; I297-L301 HydrophobicContact CG2-CG 4.41Å; I297-L301 WeakPolarHBondContact O-CG 3.47Å; I297-L301 PolarHBondContact O-N 3.38Å; I298-L301 HydrophobicContact CD1-CD1 4.36Å; I298-L301 PolarHBondContact O-N 2.88Å; L301-T303 VanDerWaalsContact C-N 3.27Å; L301-T303 PolarHBondContact O-N 3.5Å; L301-A304 WeakPolarHBondContact O-CB 3.32Å; L301-A304 PolarHBondContact O-N 2.91Å; L301-A304 VanDerWaalsContact O-N 3.11Å; L301-N305 PolarHBondContact O-N 3.38Å; L301-F309 HydrophobicContact CB-CB 3.99Å; L301-F309 HydrophobicContact CB-CD1 3.95Å; L301-F309 HydrophobicContact CB-CD2 3.91Å; L301-F309 HydrophobicContact CB-CE1 4.41Å; L301-F309 HydrophobicContact CB-CE2 4.35Å; L301-F309 HydrophobicContact CB-CG 3.68Å; L301-F309 HydrophobicContact CD1-CD1 4.26Å; L301-F309 HydrophobicContact CD2-CD1 4.12Å; L301-F309 HydrophobicContact CD2-CE1 3.75Å; L301-F309 HydrophobicContact CD2-CE2 4.17Å; L301-F309 HydrophobicContact CD2-CZ 3.77Å; L301-F309 HydrophobicContact CG-CD1 4.33Å; L301-F309 HydrophobicContact CG-CE1 4.45Å; L301-F309 WeakPolarHBondContact O-CD2 3.4Å; L301-I351 HydrophobicContact CD1-CG2 3.77Å; L301-F366 HydrophobicContact CD1-CE2 4.24Å; L301-F366 HydrophobicContact CD1-CZ 4.04Å; L301-F366 HydrophobicContact CD2-CE2 4Å; L301-F366 HydrophobicContact CD2-CZ 3.93Å; L301-L370 HydrophobicContact CD2-CB 3.94Å; L301-L370 HydrophobicContact CD2-CD1 3.81Å; L301-L370 HydrophobicContact CD2-CG 4.45Å; L301-L370 HydrophobicContact CG-CD1 3.96Å
302L94Very high92.1Very high59 Ų5938 Ų3831%0.30923%0.23SC..Hα-helixtrans-62.1-34.5177.5-71170.7000112.4I298 S300 T306 F309I298-L302 HydrophobicContact CG2-CD1 4.47Å; I298-L302 WeakPolarHBondContact O-CB 3.46Å; I298-L302 VanDerWaalsContact O-CG 3.28Å; I298-L302 WeakPolarHBondContact O-CG 3.27Å; I298-L302 PolarHBondContact O-N 3.04Å; S300-L302 PolarHBondContact O-N 2.86Å; L302-T306 HydrophobicContact CD2-CG2 4.22Å; L302-T306 PolarHBondContact O-N 2.87Å; L302-T306 PolarHBondContact O-OG1 3.14Å; L302-T306 VanDerWaalsContact O-OG1 3.07Å; L302-F309 HydrophobicContact CD2-CB 4.14Å; L302-F309 WeakPolarHBondContact CD2-O 3.42Å
303T93.6Very high92.1Very high61 Ų6141.2 Ų41.237%0.37424%0.241SC..Hα-helixtrans-66.4-38.4174.9-58.70000111.3S299 S300 L301 Q376S299-T303 VanDerWaalsContact O-CB 3.3Å; S299-T303 WeakPolarHBondContact O-CB 3.3Å; S299-T303 PolarHBondContact O-N 3.29Å; S299-T303 PolarHBondContact O-OG1 3.01Å; S300-T303 WeakPolarHBondContact O-CB 3.5Å; S300-T303 PolarHBondContact O-N 3.23Å; L301-T303 VanDerWaalsContact C-N 3.27Å; L301-T303 PolarHBondContact O-N 3.5Å; T303-Q376 HydrophobicContact CG2-CB 3.67Å
304A92.9Very high92.1Very high28 Ų2842.8 Ų42.823%0.23125%0.252CS..Hα-helixtrans-68.7-47.3178.400000112.6S300 L301 L369S300-A304 PolarHBondContact O-N 2.83Å; L301-A304 WeakPolarHBondContact O-CB 3.32Å; L301-A304 PolarHBondContact O-N 2.91Å; L301-A304 VanDerWaalsContact O-N 3.11Å; A304-L369 HydrophobicContact CB-CB 4.28Å; A304-L369 HydrophobicContact CB-CD2 4.31Å; A304-L369 WeakPolarHBondContact CB-O 3.23Å
305N88.9Confident91.6Very high53 Ų5343.7 Ų43.728%0.28326%0.257SS..  trans-158.789-178.4-163.4-50.8000112.4L301 P307 I308 F309L301-N305 PolarHBondContact O-N 3.38Å; N305-P307 VanDerWaalsContact OD1-CD 3.23Å; N305-P307 WeakPolarHBondContact OD1-CD 3.39Å; N305-I308 HydrophobicContact CB-CB 4.26Å; N305-I308 HydrophobicContact CB-CD1 4.16Å; N305-I308 HydrophobicContact CB-CG1 4.37Å; N305-I308 VanDerWaalsContact CG-CD1 3.48Å; N305-I308 VanDerWaalsContact ND2-CD1 3.33Å; N305-I308 WeakPolarHBondContact ND2-CD1 3.28Å; N305-I308 PolarHBondContact O-N 2.78Å; N305-I308 VanDerWaalsContact OD1-CG1 3.32Å; N305-I308 WeakPolarHBondContact OD1-CG1 3.27Å; N305-I308 PolarHBondContact OD1-N 2.98Å; N305-F309 HydrophobicContact CB-CD2 4.05Å; N305-F309 HydrophobicContact CB-CE2 4.03Å; N305-F309 WeakPolarHBondContact O-CD2 3.45Å; N305-F309 PolarHBondContact O-N 3.12Å; N305-F309 VanDerWaalsContact O-N 3.15Å
306T86.7Confident91.2Very high86 Ų8644 Ų4453%0.52826%0.262SS..Hα-helixtrans-52.5-47-178.2-38.20000113.8L302 I308 F309 Q310L302-T306 HydrophobicContact CD2-CG2 4.22Å; L302-T306 PolarHBondContact O-N 2.87Å; L302-T306 PolarHBondContact O-OG1 3.14Å; L302-T306 VanDerWaalsContact O-OG1 3.07Å; T306-I308 PolarHBondContact O-N 3.19Å; T306-F309 PolarHBondContact O-N 2.9Å; T306-Q310 WeakPolarHBondContact O-CB 3.2Å; T306-Q310 PolarHBondContact O-N 3.13Å
307P85.8Confident91Very high60 Ų6044.3 Ų44.339%0.3926%0.264SS..Hα-helixtrans-57.1-45.7178.7-2835000114.4N305 A433N305-P307 VanDerWaalsContact OD1-CD 3.23Å; N305-P307 WeakPolarHBondContact OD1-CD 3.39Å; P307-A433 HydrophobicContact CB-CB 4.16Å
308I88.2Confident90.8Very high28 Ų2846.5 Ų46.514%0.14428%0.276CS..Hα-helixtrans-68.7-41.3-177.1-65.2176.5000110.8N305 T306 T355 P357 L361N305-I308 HydrophobicContact CB-CB 4.26Å; N305-I308 HydrophobicContact CB-CD1 4.16Å; N305-I308 HydrophobicContact CB-CG1 4.37Å; N305-I308 VanDerWaalsContact CG-CD1 3.48Å; N305-I308 VanDerWaalsContact ND2-CD1 3.33Å; N305-I308 WeakPolarHBondContact ND2-CD1 3.28Å; N305-I308 PolarHBondContact O-N 2.78Å; N305-I308 VanDerWaalsContact OD1-CG1 3.32Å; N305-I308 WeakPolarHBondContact OD1-CG1 3.27Å; N305-I308 PolarHBondContact OD1-N 2.98Å; T306-I308 PolarHBondContact O-N 3.19Å; I308-T355 WeakPolarHBondContact O-CG2 3.46Å; I308-T355 PolarHBondContact O-OG1 2.86Å; I308-P357 HydrophobicContact CG1-CB 3.89Å; I308-L361 HydrophobicContact CG2-CD1 3.77Å; I308-L361 HydrophobicContact CG2-CD2 4.48Å; I308-L361 HydrophobicContact CG2-CG 4.23Å
309F91.4Very high90.6Very high1 Ų145.8 Ų45.80%0.00427%0.271CS..Hα-helixtrans-96.711.2-173.7-57.9-68.1000113.5L301 L302 N305 T306 G311 A312 L353 L361 F366 L369L301-F309 HydrophobicContact CB-CB 3.99Å; L301-F309 HydrophobicContact CB-CD1 3.95Å; L301-F309 HydrophobicContact CB-CD2 3.91Å; L301-F309 HydrophobicContact CB-CE1 4.41Å; L301-F309 HydrophobicContact CB-CE2 4.35Å; L301-F309 HydrophobicContact CB-CG 3.68Å; L301-F309 HydrophobicContact CD1-CD1 4.26Å; L301-F309 HydrophobicContact CD2-CD1 4.12Å; L301-F309 HydrophobicContact CD2-CE1 3.75Å; L301-F309 HydrophobicContact CD2-CE2 4.17Å; L301-F309 HydrophobicContact CD2-CZ 3.77Å; L301-F309 HydrophobicContact CG-CD1 4.33Å; L301-F309 HydrophobicContact CG-CE1 4.45Å; L301-F309 WeakPolarHBondContact O-CD2 3.4Å; L302-F309 HydrophobicContact CD2-CB 4.14Å; L302-F309 WeakPolarHBondContact CD2-O 3.42Å; N305-F309 HydrophobicContact CB-CD2 4.05Å; N305-F309 HydrophobicContact CB-CE2 4.03Å; N305-F309 WeakPolarHBondContact O-CD2 3.45Å; N305-F309 PolarHBondContact O-N 3.12Å; N305-F309 VanDerWaalsContact O-N 3.15Å; T306-F309 PolarHBondContact O-N 2.9Å; F309-G311 PolarHBondContact O-N 3Å; F309-A312 HydrophobicContact CB-CB 4.35Å; F309-A312 WeakPolarHBondContact O-CB 3.04Å; F309-A312 PolarHBondContact O-N 3.29Å; F309-L353 HydrophobicContact CD1-CD1 4.17Å; F309-L353 HydrophobicContact CD1-CD2 3.66Å; F309-L353 HydrophobicContact CE1-CD1 3.94Å; F309-L353 HydrophobicContact CE1-CD2 4.14Å; F309-L361 HydrophobicContact CE1-CD1 3.61Å; F309-L361 HydrophobicContact CZ-CD1 3.72Å; F309-F366 AromaticContact CE1-CD2 3.99Å; F309-F366 HydrophobicContact CE1-CD2 3.99Å; F309-F366 AromaticContact CE1-CE2 3.91Å; F309-F366 HydrophobicContact CE1-CE2 3.91Å; F309-F366 HydrophobicContact CZ-CD2 4.47Å; F309-L369 HydrophobicContact CE2-CB 4.05Å; F309-L369 HydrophobicContact CE2-CD1 3.92Å; F309-L369 HydrophobicContact CE2-CG 4.49Å; F309-L369 HydrophobicContact CZ-CB 3.99Å; F309-L369 HydrophobicContact CZ-CD1 3.74Å; F309-L369 HydrophobicContact CZ-CG 4.5Å
310Q86.3Confident90.4Very high123 Ų12346.6 Ų46.658%0.57527%0.271SS*.THydrogen-bonded Turntrans-60.8124.2177.8-169.6170.319.400110.5T306 A312 T355T306-Q310 WeakPolarHBondContact O-CB 3.2Å; T306-Q310 PolarHBondContact O-N 3.13Å; Q310-A312 PolarHBondContact O-N 2.84Å; Q310-T355 HydrophobicContact CB-CG2 4.38Å; Q310-T355 WeakPolarHBondContact O-CG2 3.18Å
311G86.7Confident90Very high44 Ų4450.8 Ų50.845%0.45429%0.287SS..THydrogen-bonded Turntrans72.912.6-177.600000114.5F309 K313F309-G311 PolarHBondContact O-N 3Å; G311-K313 PolarHBondContact O-N 3.02Å
312A92.8Very high89.5Confident19 Ų1952.1 Ų52.116%0.15730%0.295CS..  trans-56.7138.2171.300000110.6I298 F309 Q310 E352 L353I298-A312 HydrophobicContact CD1-CB 4.12Å; F309-A312 HydrophobicContact CB-CB 4.35Å; F309-A312 WeakPolarHBondContact O-CB 3.04Å; F309-A312 PolarHBondContact O-N 3.29Å; Q310-A312 PolarHBondContact O-N 2.84Å; A312-E352 CarbonylContact C-O 3.45Å; A312-E352 VanDerWaalsContact CA-O 3.29Å; A312-E352 WeakPolarHBondContact CA-O 3.44Å; A312-L353 HydrophobicContact CB-CD2 3.76Å
313K93Very high89Confident108 Ų10850 Ų5047%0.4728%0.284SS..EExtended strand (participates in β ladder)trans-119.1136-179-62.9-173.8-177.2-179.30110.4G311 T315 I351 E352G311-K313 PolarHBondContact O-N 3.02Å; K313-T315 HydrophobicContact CB-CG2 3.99Å; K313-T315 PolarHBondContact O-N 3.42Å; K313-I351 CarbonylContact O-C 3.6Å; K313-I351 WeakPolarHBondContact O-CA 3.46Å; K313-E352 HydrophobicContact CB-CB 4.47Å; K313-E352 PolarHBondContact N-O 3.02Å; K313-E352 PolarHBondContact O-N 3.04Å
314C94.2Very high88.1Confident33 Ų3347.9 Ų47.922%0.22327%0.271CS..EExtended strand (participates in β ladder)trans-88.5105.8166.4-172.60000108C294 I298 I351C294-C314 WeakPolarHBondContact CA-SG 2.98Å; C294-C314 HydrophobicContact CB-CB 3.41Å; C294-C314 VanDerWaalsContact CB-CB 3.41Å; C294-C314 WeakPolarHBondContact CB-SG 3.25Å; C294-C314 WeakPolarHBondContact SG-CB 3.46Å; C294-C314 CovalentContact SG-SG 2.03Å; C294-C314 PolarHBondContact SG-SG 3Å; I298-C314 HydrophobicContact CD1-CB 4.21Å; I298-C314 HydrophobicContact CG1-CB 4.19Å; C314-I351 HydrophobicContact CB-CD1 3.95Å
315T85.6Confident87Confident36 Ų3647.3 Ų47.322%0.22126%0.264CS..EExtended strand (participates in β ladder)trans-108.6139.5-178.660.90000108.6K313 T350 E352K313-T315 HydrophobicContact CB-CG2 3.99Å; K313-T315 PolarHBondContact O-N 3.42Å; T315-T350 CarbonylContact C-O 3.5Å; T315-T350 WeakPolarHBondContact CA-O 3.05Å; T315-T350 PolarHBondContact N-O 2.86Å; T315-T350 CarbonylContact O-C 3.54Å; T315-T350 VanDerWaalsContact O-CA 3.27Å; T315-T350 WeakPolarHBondContact O-CA 3.46Å; T315-T350 WeakPolarHBondContact O-CB 3.21Å; T315-T350 PolarHBondContact O-N 3.3Å; T315-T350 WeakPolarHBondContact OG1-CB 3.4Å; T315-T350 WeakPolarHBondContact OG1-CG2 3.25Å; T315-T350 PolarHBondContact OG1-O 3.42Å; T315-E352 HydrophobicContact CG2-CB 4.32Å
316T86.1Confident85.8Confident98 Ų9848 Ų4860%0.60127%0.267SS*.EExtended strand (participates in β ladder)trans51.794.5177.9-49.90000114.2I318 A349 T350T316-I318 HydrophobicContact CG2-CD1 4.37Å; T316-I318 HydrophobicContact CG2-CG1 4.3Å; T316-A349 VanDerWaalsContact O-CA 3.28Å; T316-A349 WeakPolarHBondContact O-CA 3.17Å; T316-T350 PolarHBondContact O-N 3.43Å
317V90.4Very high84.3Confident14 Ų1450.7 Ų50.79%0.08527%0.268CS..EExtended strand (participates in β ladder)trans-92.8142.8167.9-174.10000108.6Y286 A290 F293 C294 F319 S348 A349Y286-V317 PolarHBondContact OH-O 2.93Å; A290-V317 HydrophobicContact CB-CB 4.01Å; A290-V317 HydrophobicContact CB-CG1 3.96Å; A290-V317 HydrophobicContact CB-CG2 4.12Å; F293-V317 HydrophobicContact CD1-CG1 4.08Å; C294-V317 WeakPolarHBondContact SG-CG2 3.35Å; V317-F319 HydrophobicContact CG1-CE1 4.08Å; V317-F319 HydrophobicContact CG1-CE2 4.33Å; V317-F319 HydrophobicContact CG1-CZ 3.92Å; V317-S348 CarbonylContact C-O 3.57Å; V317-S348 WeakPolarHBondContact CA-O 3.47Å; V317-A349 HydrophobicContact CG2-CB 4.1Å
318I89.5Confident82.6Confident46 Ų4650 Ų5024%0.23627%0.272CS..EExtended strand (participates in β ladder)trans-136.5133.6170.5-58.6176.5000107.1T316 I320 S348T316-I318 HydrophobicContact CG2-CD1 4.37Å; T316-I318 HydrophobicContact CG2-CG1 4.3Å; I318-I320 HydrophobicContact CG2-CG1 4.35Å; I318-S348 PolarHBondContact N-O 2.89Å; I318-S348 PolarHBondContact O-N 3.4Å
319F92.5Very high80.7Confident12 Ų1258.6 Ų58.65%0.05331%0.308CS..EExtended strand (participates in β ladder)trans-100.5131.3171.4-67.9-53.2000110.3L263 W274 Y278 Y286 L289 A290 F293 V317 V345 Q346L263-F319 HydrophobicContact CD1-CD1 4.38Å; L263-F319 HydrophobicContact CD1-CE1 4.1Å; L263-F319 HydrophobicContact CD2-CE1 4.39Å; W274-F319 HydrophobicContact CZ3-CB 4.09Å; Y278-F319 HydrophobicContact CD1-CD2 4.09Å; Y278-F319 HydrophobicContact CG-CD2 4.31Å; Y286-F319 AromaticContact CD2-CD2 3.55Å; Y286-F319 HydrophobicContact CD2-CD2 3.55Å; Y286-F319 AromaticContact CD2-CE2 3.85Å; Y286-F319 HydrophobicContact CD2-CE2 3.85Å; Y286-F319 AromaticContact CE2-CD2 3.56Å; Y286-F319 HydrophobicContact CE2-CD2 3.56Å; Y286-F319 AromaticContact CE2-CE2 3.86Å; Y286-F319 HydrophobicContact CE2-CE2 3.86Å; L289-F319 HydrophobicContact CB-CE2 3.89Å; L289-F319 HydrophobicContact CB-CZ 3.82Å; L289-F319 HydrophobicContact CD2-CD1 4.47Å; L289-F319 HydrophobicContact CD2-CD2 4.44Å; L289-F319 HydrophobicContact CD2-CE1 4.04Å; L289-F319 HydrophobicContact CD2-CE2 4.01Å; L289-F319 HydrophobicContact CD2-CZ 3.8Å; L289-F319 HydrophobicContact CG-CE1 4.09Å; L289-F319 HydrophobicContact CG-CE2 4.03Å; L289-F319 HydrophobicContact CG-CZ 3.56Å; A290-F319 HydrophobicContact CB-CE2 4.09Å; A290-F319 HydrophobicContact CB-CZ 4.17Å; F293-F319 HydrophobicContact CB-CE1 4.42Å; F293-F319 HydrophobicContact CB-CZ 4.49Å; V317-F319 HydrophobicContact CG1-CE1 4.08Å; V317-F319 HydrophobicContact CG1-CE2 4.33Å; V317-F319 HydrophobicContact CG1-CZ 3.92Å; F319-V345 HydrophobicContact CB-CG1 3.86Å; F319-V345 HydrophobicContact CD1-CG1 3.4Å; F319-V345 VanDerWaalsContact CD1-CG1 3.4Å; F319-V345 HydrophobicContact CE1-CG1 4.16Å; F319-V345 HydrophobicContact CG-CG1 3.76Å; F319-Q346 CarbonylContact C-O 3.59Å; F319-Q346 WeakPolarHBondContact CA-O 3.4Å
320I89.5Confident78.3Confident69 Ų6969.7 Ų69.735%0.35435%0.35SS..EExtended strand (participates in β ladder)trans-114.5130.9-179.8-56.3171.2000107.2W274 I318 V322 Q346W274-I320 VanDerWaalsContact CZ3-C 3.41Å; I318-I320 HydrophobicContact CG2-CG1 4.35Å; I320-V322 HydrophobicContact CG2-CG1 4.32Å; I320-V322 PolarHBondContact O-N 3.17Å; I320-Q346 HydrophobicContact CB-CB 4.45Å; I320-Q346 PolarHBondContact N-O 3.23Å; I320-Q346 PolarHBondContact O-N 3.01Å
321R87.3Confident76.1Confident89 Ų8971.7 Ų71.734%0.33636%0.359SS..EExtended strand (participates in β ladder)trans-68.6120.8172-173.1175-177.5-179.8-1108.1T205 W274 D343T205-R321 PolarHBondContact O-NH1 3.38Å; T205-R321 PolarHBondContact O-NH2 2.8Å; W274-R321 HydrophobicContact CB-CG 4.02Å; W274-R321 HydrophobicContact CD2-CB 3.52Å; W274-R321 HydrophobicContact CD2-CG 3.65Å; W274-R321 HydrophobicContact CE3-CB 3.6Å; W274-R321 HydrophobicContact CE3-CG 4.07Å; W274-R321 HydrophobicContact CG-CB 4.06Å; W274-R321 HydrophobicContact CG-CG 3.59Å; W274-R321 HydrophobicContact CH2-CB 4.08Å; W274-R321 HydrophobicContact CZ2-CB 4Å; W274-R321 HydrophobicContact CZ3-CB 3.9Å; R321-D343 HydrophobicContact CG-CB 4.41Å; R321-D343 IonicContact CZ-OD2 3.24Å; R321-D343 VanDerWaalsContact CZ-OD2 3.28Å; R321-D343 IonicContact NE-OD2 3.3Å; R321-D343 PolarHBondContact NE-OD2 2.85Å; R321-D343 VanDerWaalsContact NE-OD2 3.13Å; R321-D343 IonicContact NH2-OD2 2.64Å; R321-D343 PolarHBondContact NH2-OD2 3.12Å
322V85.1Confident74Confident27 Ų2776.1 Ų76.116%0.16437%0.371CS..EExtended strand (participates in β ladder)trans-125.8140.9176.6-67.50000109.2I320 I324 D343 G344 Q346I320-V322 HydrophobicContact CG2-CG1 4.32Å; I320-V322 PolarHBondContact O-N 3.17Å; V322-I324 HydrophobicContact CG2-CD1 4.02Å; V322-I324 HydrophobicContact CG2-CG1 4.07Å; V322-D343 CarbonylContact O-C 3.6Å; V322-D343 WeakPolarHBondContact O-CA 3.42Å; V322-G344 PolarHBondContact N-O 3.26Å; V322-G344 VanDerWaalsContact N-O 3.13Å; V322-G344 PolarHBondContact O-N 2.58Å; V322-Q346 HydrophobicContact CB-CB 4.37Å; V322-Q346 HydrophobicContact CG1-CB 3.57Å; V322-Q346 HydrophobicContact CG1-CG 4.49Å; V322-Q346 HydrophobicContact CG2-CB 3.85Å
323T82.6Confident71.7Confident15 Ų1579.4 Ų79.49%0.09239%0.389CS..EExtended strand (participates in β ladder)trans-96.4126176.4-59.50000109G207 S208 S341 D343G207-T323 WeakPolarHBondContact CA-OG1 3.41Å; S208-T323 VanDerWaalsContact C-CG2 3.46Å; S208-T323 PolarHBondContact N-OG1 2.75Å; S208-T323 VanDerWaalsContact N-OG1 3.15Å; S208-T323 WeakPolarHBondContact O-CB 3.36Å; S208-T323 WeakPolarHBondContact O-CG2 3.31Å; T323-S341 WeakPolarHBondContact CG2-OG 3.17Å; T323-D343 WeakPolarHBondContact CB-OD1 3.4Å; T323-D343 PolarHBondContact OG1-OD1 3.09Å
324I74.4Confident69.6Low17 Ų1781.7 Ų81.79%0.08741%0.407CS..EExtended strand (participates in β ladder)trans-119.6126.9-171.9-57.7162.4000108.4V262 I271 V322 I326 T342V262-I324 HydrophobicContact CG1-CD1 3.4Å; V262-I324 VanDerWaalsContact CG1-CD1 3.4Å; V262-I324 HydrophobicContact CG1-CG1 4.37Å; I271-I324 HydrophobicContact CD1-CB 3.46Å; I271-I324 VanDerWaalsContact CD1-CB 3.46Å; I271-I324 HydrophobicContact CD1-CD1 3.78Å; I271-I324 HydrophobicContact CD1-CG1 4.23Å; I271-I324 HydrophobicContact CD1-CG2 3.34Å; I271-I324 HydrophobicContact CG1-CD1 4.36Å; I271-I324 HydrophobicContact CG2-CD1 3.68Å; V322-I324 HydrophobicContact CG2-CD1 4.02Å; V322-I324 HydrophobicContact CG2-CG1 4.07Å; I324-I326 PolarHBondContact O-N 3.26Å; I324-T342 PolarHBondContact N-O 2.89Å; I324-T342 PolarHBondContact O-N 3.37Å
325V69.1Low67.4Low16 Ų1683.4 Ų83.410%0.09743%0.429CS..EExtended strand (participates in β ladder)trans-88.9107.2177.7-172.60000108.5A209 F210 R327 N339A209-V325 HydrophobicContact CB-CG2 3.29Å; F210-V325 WeakPolarHBondContact O-CG2 3.4Å; V325-R327 PolarHBondContact O-N 3.06Å; V325-N339 HydrophobicContact CG1-CB 4.06Å
326I64.1Low65.7Low67 Ų6785.9 Ų85.934%0.34445%0.445SS..EExtended strand (participates in β ladder)trans-83.2105171.1-52.6175.7000107.1I271 I324 G328 T340I271-I326 HydrophobicContact CD1-CD1 3.56Å; I271-I326 HydrophobicContact CD1-CG1 3.5Å; I271-I326 VanDerWaalsContact CD1-CG1 3.5Å; I271-I326 HydrophobicContact CG1-CD1 3.9Å; I271-I326 HydrophobicContact CG1-CG1 4.26Å; I324-I326 PolarHBondContact O-N 3.26Å; I326-G328 PolarHBondContact O-N 2.82Å; I326-T340 PolarHBondContact N-O 3.03Å
327R55.3Low63.9Low142 Ų14287.7 Ų87.754%0.53645%0.449SS..  trans-69.498.3165.4-72.4-172.7-176.7179.82.5107.7D211 V325 K329D211-R327 IonicContact OD1-CZ 3.38Å; D211-R327 IonicContact OD1-NH2 3.79Å; D211-R327 PolarHBondContact OD1-NH2 3.43Å; V325-R327 PolarHBondContact O-N 3.06Å; R327-K329 PolarHBondContact O-N 3.35Å
328G50.5Low62.1Low47 Ų4792.4 Ų92.449%0.48547%0.474SS..  trans-52.3134.6171.700000109.7I326 R330I326-G328 PolarHBondContact O-N 2.82Å; G328-R330 VanDerWaalsContact C-N 3.34Å; G328-R330 PolarHBondContact O-N 3.49Å
329K47.5Very low60.4Low207 Ų20794.2 Ų94.290%0.948%0.484SS*.SBendtrans-5898.9173.1-77.6-176.9178.3178.60108.4R327 Q331R327-K329 PolarHBondContact O-N 3.35Å; K329-Q331 VanDerWaalsContact C-N 3.3Å; K329-Q331 PolarHBondContact O-N 3.32Å
330R42.1Very low59.1Low235 Ų23597.4 Ų97.489%0.88751%0.505SS*.  trans20.663.8168.8-65.3-176.4178.8-176.7-0.6114.2G328 I332G328-R330 VanDerWaalsContact C-N 3.34Å; G328-R330 PolarHBondContact O-N 3.49Å; R330-I332 VanDerWaalsContact C-N 3.34Å; R330-I332 PolarHBondContact O-N 3.05Å
331Q40.3Very low58.2Low164 Ų16496.7 Ų96.777%0.76651%0.506SS*.  trans-8990.5154.7-80.6-165.5-14.600105.9K329 V333K329-Q331 VanDerWaalsContact C-N 3.3Å; K329-Q331 PolarHBondContact O-N 3.32Å; Q331-V333 HydrophobicContact CB-CG2 4.45Å; Q331-V333 PolarHBondContact O-N 2.93Å
332I42.3Very low57.8Low137 Ų13795.1 Ų95.170%0.70351%0.506SS*.  trans-70.789.4166.5-55.2173.7000105.1R330R330-I332 VanDerWaalsContact C-N 3.34Å; R330-I332 PolarHBondContact O-N 3.05Å
333V44.7Very low57.7Low88 Ų8895.3 Ų95.353%0.53351%0.506SS..BIsolated β-bridgetrans-103.4111.4163-177.50000105.5Q331 G335Q331-V333 HydrophobicContact CB-CG2 4.45Å; Q331-V333 PolarHBondContact O-N 2.93Å; V333-G335 PolarHBondContact O-N 3.23Å
334N48Very low58Low157 Ų15794.6 Ų94.684%0.8450%0.502SS*.THydrogen-bonded Turntrans5341.3177.6-69.8-0.9000116.6V336N334-V336 PolarHBondContact O-N 3.28Å
335G48Very low58.8Low68 Ų6893.8 Ų93.870%0.70150%0.498SS*.THydrogen-bonded Turntrans68.80.5168.200000115.9V333V333-G335 PolarHBondContact O-N 3.23Å
336V50.2Low59.9Low89 Ų8995 Ų9554%0.53950%0.502SS..BIsolated β-bridgetrans-99.2115.5174.2-176.50000107.9N334 N338N334-V336 PolarHBondContact O-N 3.28Å; V336-N338 PolarHBondContact O-N 2.98Å
337I49.3Very low61.2Low136 Ų13691.8 Ų91.870%0.69749%0.486SS*.  trans-68.899.9168.4-56.5173.9000106N339I337-N339 VanDerWaalsContact CG2-OD1 3.28Å; I337-N339 WeakPolarHBondContact CG2-OD1 3.37Å; I337-N339 PolarHBondContact O-N 3.46Å
338N51.7Low63.1Low112 Ų11285.7 Ų85.760%0.59947%0.465SS*.  trans-70.482.6172.2-75.8-10.3000108.8V336 T340V336-N338 PolarHBondContact O-N 2.98Å; N338-T340 VanDerWaalsContact C-N 3.34Å; N338-T340 PolarHBondContact O-N 3Å
339N54.3Low65.1Low85 Ų8583.5 Ų83.546%0.45544%0.442SS..  trans-68.295.7164.8-77.6-11.8000107.4V325 I337 S341V325-N339 HydrophobicContact CG1-CB 4.06Å; I337-N339 VanDerWaalsContact CG2-OD1 3.28Å; I337-N339 WeakPolarHBondContact CG2-OD1 3.37Å; I337-N339 PolarHBondContact O-N 3.46Å; N339-S341 PolarHBondContact O-N 3.35Å; N339-S341 VanDerWaalsContact O-N 3.17Å
340T64.7Low67.3Low79 Ų7974.8 Ų74.849%0.48541%0.407SS..EExtended strand (participates in β ladder)trans-76.9103.8171.252.60000107.9I326 N338I326-T340 PolarHBondContact N-O 3.03Å; N338-T340 VanDerWaalsContact C-N 3.34Å; N338-T340 PolarHBondContact O-N 3Å
341S70.1Confident69.8Low54 Ų5463.6 Ų63.638%0.37836%0.364SS..EExtended strand (participates in β ladder)trans-75.5130.2167.4-171.60000108.8T323 N339T323-S341 WeakPolarHBondContact CG2-OG 3.17Å; N339-S341 PolarHBondContact O-N 3.35Å; N339-S341 VanDerWaalsContact O-N 3.17Å
342T78.7Confident72.2Confident55 Ų5557.6 Ų57.634%0.33734%0.336SS..EExtended strand (participates in β ladder)trans-135137.7178.1-58.60000109.4I324 G344I324-T342 PolarHBondContact N-O 2.89Å; I324-T342 PolarHBondContact O-N 3.37Å; T342-G344 PolarHBondContact O-N 3.33Å
343D83.5Confident74.6Confident32 Ų3251.1 Ų51.117%0.17130%0.303CS..EExtended strand (participates in β ladder)trans-77.2120.7176.1-64.6-27.9000110.3P273 W274 R321 V322 T323P273-D343 WeakPolarHBondContact CA-O 3.41Å; W274-D343 HydrophobicContact CB-CB 4.06Å; W274-D343 PolarHBondContact N-O 2.91Å; R321-D343 HydrophobicContact CG-CB 4.41Å; R321-D343 IonicContact CZ-OD2 3.24Å; R321-D343 VanDerWaalsContact CZ-OD2 3.28Å; R321-D343 IonicContact NE-OD2 3.3Å; R321-D343 PolarHBondContact NE-OD2 2.85Å; R321-D343 VanDerWaalsContact NE-OD2 3.13Å; R321-D343 IonicContact NH2-OD2 2.64Å; R321-D343 PolarHBondContact NH2-OD2 3.12Å; V322-D343 CarbonylContact O-C 3.6Å; V322-D343 WeakPolarHBondContact O-CA 3.42Å; T323-D343 WeakPolarHBondContact CB-OD1 3.4Å; T323-D343 PolarHBondContact OG1-OD1 3.09Å
344G88.2Confident76.4Confident0 Ų050.8 Ų50.80%030%0.296CS..EExtended strand (participates in β ladder)trans-112-170.2174.700000113.5I272 V322 T342I272-G344 VanDerWaalsContact O-CA 3.3Å; I272-G344 WeakPolarHBondContact O-CA 3.09Å; V322-G344 PolarHBondContact N-O 3.26Å; V322-G344 VanDerWaalsContact N-O 3.13Å; V322-G344 PolarHBondContact O-N 2.58Å; T342-G344 PolarHBondContact O-N 3.33Å
345V91.5Very high78.1Confident0 Ų044 Ų440%026%0.26CS..EExtended strand (participates in β ladder)trans-116.4124.6-176.8-173.20000109.3L263 I272 W274 Y278 L289 F319L263-V345 HydrophobicContact CD1-CB 4.39Å; L263-V345 HydrophobicContact CD1-CG1 4.04Å; L263-V345 WeakPolarHBondContact CD1-O 3.47Å; L263-V345 PolarHBondContact N-O 2.58Å; I272-V345 HydrophobicContact CG2-CG2 3.99Å; I272-V345 PolarHBondContact O-N 3.43Å; W274-V345 HydrophobicContact CE3-CG2 4.18Å; Y278-V345 HydrophobicContact CD2-CG2 3.82Å; Y278-V345 HydrophobicContact CE2-CG2 3.46Å; Y278-V345 VanDerWaalsContact CE2-CG2 3.46Å; L289-V345 HydrophobicContact CD2-CG1 4.11Å; F319-V345 HydrophobicContact CB-CG1 3.86Å; F319-V345 HydrophobicContact CD1-CG1 3.4Å; F319-V345 VanDerWaalsContact CD1-CG1 3.4Å; F319-V345 HydrophobicContact CE1-CG1 4.16Å; F319-V345 HydrophobicContact CG-CG1 3.76Å
346Q92.3Very high79.9Confident40 Ų4040.9 Ų40.919%0.18723%0.227CC..EExtended strand (participates in β ladder)trans-103.6123.3164.3-175.3179.224.200108.7G261 V262 F319 I320 V322G261-Q346 CarbonylContact O-C 3.57Å; G261-Q346 WeakPolarHBondContact O-CA 3.12Å; V262-Q346 HydrophobicContact CG2-CB 4.4Å; V262-Q346 HydrophobicContact CG2-CG 4.28Å; F319-Q346 CarbonylContact C-O 3.59Å; F319-Q346 WeakPolarHBondContact CA-O 3.4Å; I320-Q346 HydrophobicContact CB-CB 4.45Å; I320-Q346 PolarHBondContact N-O 3.23Å; I320-Q346 PolarHBondContact O-N 3.01Å; V322-Q346 HydrophobicContact CB-CB 4.37Å; V322-Q346 HydrophobicContact CG1-CB 3.57Å; V322-Q346 HydrophobicContact CG1-CG 4.49Å; V322-Q346 HydrophobicContact CG2-CB 3.85Å
347G92.9Very high81.6Confident0 Ų038 Ų380%021%0.211CC..EExtended strand (participates in β ladder)trans-86.7140.4170.400000110.2K260 G261 L263 F293K260-G347 CarbonylContact C-O 3.52Å; K260-G347 VanDerWaalsContact CA-O 3.27Å; K260-G347 WeakPolarHBondContact CA-O 3.4Å; G261-G347 PolarHBondContact N-O 3.43Å; G261-G347 PolarHBondContact O-N 3.01Å; L263-G347 VanDerWaalsContact CD1-N 3.26Å; F293-G347 VanDerWaalsContact CZ-O 3.3Å; F293-G347 WeakPolarHBondContact CZ-O 3.36Å
348S93.4Very high83.4Confident15 Ų1531.6 Ų31.611%0.10518%0.177CC..EExtended strand (participates in β ladder)trans-125.1126.3166.3-164.20000107.2N258 V259 K260 V317 I318N258-S348 PolarHBondContact ND2-OG 3.09Å; N258-S348 PolarHBondContact OD1-OG 3.22Å; V259-S348 CarbonylContact O-C 3.57Å; V259-S348 WeakPolarHBondContact O-CA 3.17Å; K260-S348 WeakPolarHBondContact CG-OG 3.37Å; V317-S348 CarbonylContact C-O 3.57Å; V317-S348 WeakPolarHBondContact CA-O 3.47Å; I318-S348 PolarHBondContact N-O 2.89Å; I318-S348 PolarHBondContact O-N 3.4Å
349A93.2Very high85.1Confident1 Ų126.2 Ų26.21%0.00815%0.149CC..EExtended strand (participates in β ladder)trans-136147.2176.900000112.5N258 V259 F293 T316 V317 I351N258-A349 CarbonylContact C-O 3.52Å; N258-A349 WeakPolarHBondContact CA-O 3.36Å; N258-A349 PolarHBondContact OD1-O 2.95Å; V259-A349 PolarHBondContact N-O 3.25Å; V259-A349 PolarHBondContact O-N 3.22Å; F293-A349 HydrophobicContact CD1-CB 4Å; F293-A349 HydrophobicContact CE1-CB 3.57Å; T316-A349 VanDerWaalsContact O-CA 3.28Å; T316-A349 WeakPolarHBondContact O-CA 3.17Å; V317-A349 HydrophobicContact CG2-CB 4.1Å; A349-I351 HydrophobicContact CB-CD1 4.47Å
350T93.1Very high86.7Confident24 Ų2425.2 Ų25.215%0.14714%0.141CC..EExtended strand (participates in β ladder)trans-91.3115.2173.5-59.70000110.4Q256 F257 T315 T316 I393Q256-T350 HydrophobicContact CB-CG2 4.02Å; Q256-T350 HydrophobicContact CG-CG2 4.18Å; F257-T350 CarbonylContact O-C 3.54Å; F257-T350 WeakPolarHBondContact O-CA 3.43Å; T315-T350 CarbonylContact C-O 3.5Å; T315-T350 WeakPolarHBondContact CA-O 3.05Å; T315-T350 PolarHBondContact N-O 2.86Å; T315-T350 CarbonylContact O-C 3.54Å; T315-T350 VanDerWaalsContact O-CA 3.27Å; T315-T350 WeakPolarHBondContact O-CA 3.46Å; T315-T350 WeakPolarHBondContact O-CB 3.21Å; T315-T350 PolarHBondContact O-N 3.3Å; T315-T350 WeakPolarHBondContact OG1-CB 3.4Å; T315-T350 WeakPolarHBondContact OG1-CG2 3.25Å; T315-T350 PolarHBondContact OG1-O 3.42Å; T316-T350 PolarHBondContact O-N 3.43Å; T350-I393 HydrophobicContact CG2-CD1 3.56Å
351I94.8Very high88Confident0 Ų022.1 Ų22.10%012%0.122CC..EExtended strand (participates in β ladder)trans-94118.3175.9-52-52000109.3Q256 F257 V259 I297 I298 L301 K313 C314 A349 L353 F366Q256-I351 CarbonylContact C-O 3.52Å; Q256-I351 VanDerWaalsContact CA-O 3.28Å; Q256-I351 WeakPolarHBondContact CA-O 3.49Å; F257-I351 PolarHBondContact N-O 3.12Å; F257-I351 PolarHBondContact O-N 2.91Å; V259-I351 HydrophobicContact CB-CG1 4.26Å; V259-I351 HydrophobicContact CG2-CG1 3.64Å; I297-I351 HydrophobicContact CB-CD1 4.42Å; I297-I351 HydrophobicContact CG2-CD1 3.66Å; I297-I351 HydrophobicContact CG2-CG1 3.86Å; I298-I351 HydrophobicContact CD1-CD1 4.13Å; I298-I351 HydrophobicContact CD1-CG2 4.1Å; L301-I351 HydrophobicContact CD1-CG2 3.77Å; K313-I351 CarbonylContact O-C 3.6Å; K313-I351 WeakPolarHBondContact O-CA 3.46Å; C314-I351 HydrophobicContact CB-CD1 3.95Å; A349-I351 HydrophobicContact CB-CD1 4.47Å; I351-L353 HydrophobicContact CG2-CD2 3.97Å; I351-F366 HydrophobicContact CB-CZ 4.34Å; I351-F366 HydrophobicContact CG2-CZ 4.37Å
352E92.1Very high89Confident38 Ų3820.4 Ų20.418%0.17811%0.11CC..EExtended strand (participates in β ladder)trans-99.1123.2175.7-172.3-170.9124.900110.3F254 Q256 A312 K313 T315 Q354F254-E352 HydrophobicContact CB-CG 3.99Å; Q256-E352 HydrophobicContact CG-CB 4.25Å; Q256-E352 HydrophobicContact CG-CG 4.16Å; A312-E352 CarbonylContact C-O 3.45Å; A312-E352 VanDerWaalsContact CA-O 3.29Å; A312-E352 WeakPolarHBondContact CA-O 3.44Å; K313-E352 HydrophobicContact CB-CB 4.47Å; K313-E352 PolarHBondContact N-O 3.02Å; K313-E352 PolarHBondContact O-N 3.04Å; T315-E352 HydrophobicContact CG2-CB 4.32Å; E352-Q354 PolarHBondContact OE1-NE2 2.82Å
353L90.8Very high89.6Confident1 Ų122 Ų221%0.00511%0.114CC..EExtended strand (participates in β ladder)trans-101.3128.4174.6-52.4-171.7000109.5F254 T255 F257 F309 A312 I351 L361 F366F254-L353 CarbonylContact C-O 3.38Å; F254-L353 VanDerWaalsContact CA-O 3.28Å; F254-L353 WeakPolarHBondContact CA-O 3.25Å; T255-L353 PolarHBondContact N-O 3.47Å; T255-L353 PolarHBondContact O-N 2.88Å; F257-L353 HydrophobicContact CD2-CD1 4.08Å; F257-L353 HydrophobicContact CD2-CG 4.32Å; F257-L353 HydrophobicContact CE2-CD1 3.69Å; F257-L353 HydrophobicContact CE2-CG 4.33Å; F309-L353 HydrophobicContact CD1-CD1 4.17Å; F309-L353 HydrophobicContact CD1-CD2 3.66Å; F309-L353 HydrophobicContact CE1-CD1 3.94Å; F309-L353 HydrophobicContact CE1-CD2 4.14Å; A312-L353 HydrophobicContact CB-CD2 3.76Å; I351-L353 HydrophobicContact CG2-CD2 3.97Å; L353-L361 HydrophobicContact CD1-CD1 3.75Å; L353-F366 HydrophobicContact CD1-CD2 4.17Å; L353-F366 HydrophobicContact CD1-CE2 4.14Å; L353-F366 HydrophobicContact CD2-CE2 4.45Å
354Q84.1Confident89.9Confident80 Ų8027.4 Ų27.437%0.37414%0.138SC..  trans-106.10.3-173.8-53.9-162.9-24.400113.5E352E352-Q354 PolarHBondContact OE1-NE2 2.82Å
355T84.1Confident90.2Very high16 Ų1632.2 Ų32.210%0.09816%0.16CC..SBendtrans-96.8151.3-175.469.40000110.9I308 Q310 G358 S359I308-T355 WeakPolarHBondContact O-CG2 3.46Å; I308-T355 PolarHBondContact O-OG1 2.86Å; Q310-T355 HydrophobicContact CB-CG2 4.38Å; Q310-T355 WeakPolarHBondContact O-CG2 3.18Å; T355-G358 PolarHBondContact O-N 2.99Å; T355-G358 WeakPolarHBondContact OG1-CA 3.31Å; T355-G358 PolarHBondContact OG1-N 3.32Å; T355-S359 PolarHBondContact O-N 2.97Å; T355-S359 VanDerWaalsContact O-N 3.17Å
356L84.1Confident90.4Very high2 Ų232.2 Ų32.21%0.0116%0.16CC..Hα-helixtrans-61.3-45.9173.4-84.771.9000112.1V253 G358 S359 V405 C421V253-L356 HydrophobicContact CG2-CD1 3.99Å; V253-L356 HydrophobicContact CG2-CG 4.29Å; L356-G358 VanDerWaalsContact C-N 3.27Å; L356-G358 PolarHBondContact O-N 3.15Å; L356-S359 WeakPolarHBondContact O-CB 3.41Å; L356-S359 PolarHBondContact O-N 3.42Å; L356-S359 VanDerWaalsContact O-N 3.07Å; L356-S359 PolarHBondContact O-OG 2.8Å; L356-V405 HydrophobicContact CD1-CG1 3.91Å; L356-V405 HydrophobicContact CD2-CG1 3.88Å; L356-V405 HydrophobicContact CG-CG1 3.86Å; L356-C421 HydrophobicContact CD2-CB 3.71Å; L356-C421 WeakPolarHBondContact CD2-SG 3.23Å
357P86.2Confident90.5Very high29 Ų2932.5 Ų32.519%0.18817%0.165CC..Hα-helixtrans-57.5-38.9173.1-27.135.9000113.2I308 S359 Q360I308-P357 HydrophobicContact CG1-CB 3.89Å; P357-S359 PolarHBondContact O-N 3.45Å; P357-Q360 PolarHBondContact O-N 2.83Å; P357-Q360 VanDerWaalsContact O-N 3.11Å
358G88Confident90.5Very high0 Ų037.9 Ų37.90%019%0.19CC..Hα-helixtrans-61.8-31.4176.300000112.9T355 L356 Q360 L361T355-G358 PolarHBondContact O-N 2.99Å; T355-G358 WeakPolarHBondContact OG1-CA 3.31Å; T355-G358 PolarHBondContact OG1-N 3.32Å; L356-G358 VanDerWaalsContact C-N 3.27Å; L356-G358 PolarHBondContact O-N 3.15Å; G358-Q360 PolarHBondContact O-N 2.69Å; G358-L361 PolarHBondContact O-N 3.45Å
359S86.2Confident90.6Very high0 Ų038.9 Ų38.90%019%0.194CC..Hα-helixtrans-69-20.3176.680.20000114.6T255 T355 L356 P357 R392 N417 V419T255-S359 VanDerWaalsContact OG1-CA 3.28Å; T255-S359 WeakPolarHBondContact OG1-CA 3.39Å; T255-S359 WeakPolarHBondContact OG1-CB 3.35Å; T355-S359 PolarHBondContact O-N 2.97Å; T355-S359 VanDerWaalsContact O-N 3.17Å; L356-S359 WeakPolarHBondContact O-CB 3.41Å; L356-S359 PolarHBondContact O-N 3.42Å; L356-S359 VanDerWaalsContact O-N 3.07Å; L356-S359 PolarHBondContact O-OG 2.8Å; P357-S359 PolarHBondContact O-N 3.45Å; S359-R392 PolarHBondContact O-NH2 2.97Å; S359-N417 CarbonylContact O-C 3.57Å; S359-V419 PolarHBondContact OG-O 3.45Å
360Q89.4Confident90.8Very high63 Ų6338.9 Ų38.929%0.29419%0.194SC..THydrogen-bonded Turntrans-89.9-3.7-179.4-61.3173.343.500112.5P357 G358 S362 N417 V419P357-Q360 PolarHBondContact O-N 2.83Å; P357-Q360 VanDerWaalsContact O-N 3.11Å; G358-Q360 PolarHBondContact O-N 2.69Å; Q360-S362 PolarHBondContact O-N 3.22Å; Q360-N417 WeakPolarHBondContact O-CB 3.3Å; Q360-V419 WeakPolarHBondContact CG-O 3.44Å; Q360-V419 PolarHBondContact NE2-O 2.95Å
361L91.2Very high90.8Very high14 Ų1439.6 Ų39.67%0.07320%0.202CC..  trans-70.3126.3178.7-67.5-179.1000111F257 I308 F309 L353 G358 H365 F366 L369F257-L361 HydrophobicContact CZ-CB 3.97Å; I308-L361 HydrophobicContact CG2-CD1 3.77Å; I308-L361 HydrophobicContact CG2-CD2 4.48Å; I308-L361 HydrophobicContact CG2-CG 4.23Å; F309-L361 HydrophobicContact CE1-CD1 3.61Å; F309-L361 HydrophobicContact CZ-CD1 3.72Å; L353-L361 HydrophobicContact CD1-CD1 3.75Å; G358-L361 PolarHBondContact O-N 3.45Å; L361-H365 HydrophobicContact CD2-CB 4.31Å; L361-F366 HydrophobicContact CB-CB 4.48Å; L361-F366 HydrophobicContact CD1-CB 4.47Å; L361-F366 HydrophobicContact CD1-CD2 3.97Å; L361-L369 HydrophobicContact CD1-CD1 4.36Å; L361-L369 HydrophobicContact CD2-CD1 3.78Å
362S91.1Very high90.7Very high19 Ų1942.8 Ų42.813%0.13322%0.219CC..  trans-75.5164.7162.383.10000110.3Q360 E364 H365 F366Q360-S362 PolarHBondContact O-N 3.22Å; S362-E364 VanDerWaalsContact C-N 3.28Å; S362-E364 PolarHBondContact O-N 3.32Å; S362-E364 PolarHBondContact OG-N 2.93Å; S362-H365 PolarHBondContact O-N 3.24Å; S362-H365 PolarHBondContact OG-N 2.87Å; S362-H365 PolarHBondContact OG-ND1 2.98Å; S362-F366 WeakPolarHBondContact O-CB 3.42Å; S362-F366 PolarHBondContact O-N 3Å
363Q90.6Very high90.8Very high88 Ų8841 Ų4141%0.41121%0.21SC..Hα-helixtrans-58.2-40.8175.4178.4179.4-21.700112.3T367 S390 R392Q363-T367 WeakPolarHBondContact O-CB 3.42Å; Q363-T367 PolarHBondContact O-N 3.38Å; Q363-T367 PolarHBondContact O-OG1 2.88Å; Q363-S390 WeakPolarHBondContact CG-O 3.28Å; Q363-S390 PolarHBondContact NE2-O 3.02Å; Q363-R392 HydrophobicContact CB-CB 4.38Å
364E91.1Very high91Very high146 Ų14641.6 Ų41.668%0.68221%0.213SC*.Hα-helixtrans-64.5-49.8178.9-175.2177.6-168.700111.3S362 F366 T367 Q368S362-E364 VanDerWaalsContact C-N 3.28Å; S362-E364 PolarHBondContact O-N 3.32Å; S362-E364 PolarHBondContact OG-N 2.93Å; E364-F366 VanDerWaalsContact C-N 3.33Å; E364-F366 PolarHBondContact O-N 3.31Å; E364-T367 PolarHBondContact O-N 2.83Å; E364-Q368 PolarHBondContact O-N 3.45Å
365H93.5Very high91.3Very high100 Ų10043.5 Ų43.546%0.46323%0.226SC..Hα-helixtrans-62.6-40.4178.3-72.681.6000111.9L361 S362 Q368 L369L361-H365 HydrophobicContact CD2-CB 4.31Å; S362-H365 PolarHBondContact O-N 3.24Å; S362-H365 PolarHBondContact OG-N 2.87Å; S362-H365 PolarHBondContact OG-ND1 2.98Å; H365-Q368 PolarHBondContact O-N 2.97Å; H365-L369 WeakPolarHBondContact O-CB 3.4Å; H365-L369 VanDerWaalsContact O-CG 3.31Å; H365-L369 WeakPolarHBondContact O-CG 3.43Å; H365-L369 PolarHBondContact O-N 2.94Å
366F95.4Very high91.6Very high0 Ų049 Ų490%025%0.25CC..Hα-helixtrans-62.3-44.9174.9-178.9-82.6000111.5F257 V259 L301 F309 I351 L353 L361 S362 E364 Q368 L369 L370 S390F257-F366 HydrophobicContact CB-CD1 4.28Å; F257-F366 HydrophobicContact CB-CD2 4.47Å; F257-F366 HydrophobicContact CB-CE1 3.94Å; F257-F366 HydrophobicContact CB-CE2 4.14Å; F257-F366 HydrophobicContact CB-CZ 3.85Å; F257-F366 HydrophobicContact CD1-CB 3.95Å; F257-F366 AromaticContact CD1-CD1 3.88Å; F257-F366 HydrophobicContact CD1-CD1 3.88Å; F257-F366 AromaticContact CD1-CD2 3.98Å; F257-F366 HydrophobicContact CD1-CD2 3.98Å; F257-F366 HydrophobicContact CD1-CE1 4.39Å; F257-F366 HydrophobicContact CD1-CE2 4.48Å; F257-F366 AromaticContact CD1-CG 3.65Å; F257-F366 HydrophobicContact CD1-CG 3.65Å; F257-F366 AromaticContact CD2-CD2 3.6Å; F257-F366 HydrophobicContact CD2-CD2 3.6Å; F257-F366 AromaticContact CD2-CE2 3.68Å; F257-F366 HydrophobicContact CD2-CE2 3.68Å; F257-F366 HydrophobicContact CD2-CG 4.16Å; F257-F366 HydrophobicContact CD2-CZ 4.28Å; F257-F366 HydrophobicContact CE1-CB 3.59Å; F257-F366 HydrophobicContact CE1-CD1 4.4Å; F257-F366 HydrophobicContact CE1-CD2 4.07Å; F257-F366 AromaticContact CE1-CG 3.77Å; F257-F366 HydrophobicContact CE1-CG 3.77Å; F257-F366 AromaticContact CE2-CD2 3.7Å; F257-F366 HydrophobicContact CE2-CD2 3.7Å; F257-F366 HydrophobicContact CE2-CE2 4.19Å; F257-F366 HydrophobicContact CE2-CG 4.26Å; F257-F366 HydrophobicContact CG-CD1 4.05Å; F257-F366 AromaticContact CG-CD2 3.76Å; F257-F366 HydrophobicContact CG-CD2 3.76Å; F257-F366 HydrophobicContact CG-CE1 4.14Å; F257-F366 AromaticContact CG-CE2 3.85Å; F257-F366 HydrophobicContact CG-CE2 3.85Å; F257-F366 AromaticContact CG-CG 3.86Å; F257-F366 HydrophobicContact CG-CG 3.86Å; F257-F366 HydrophobicContact CG-CZ 4.04Å; F257-F366 HydrophobicContact CZ-CB 3.95Å; F257-F366 AromaticContact CZ-CD2 3.94Å; F257-F366 HydrophobicContact CZ-CD2 3.94Å; F257-F366 HydrophobicContact CZ-CG 4.08Å; V259-F366 HydrophobicContact CG2-CE1 3.67Å; V259-F366 HydrophobicContact CG2-CZ 4Å; L301-F366 HydrophobicContact CD1-CE2 4.24Å; L301-F366 HydrophobicContact CD1-CZ 4.04Å; L301-F366 HydrophobicContact CD2-CE2 4Å; L301-F366 HydrophobicContact CD2-CZ 3.93Å; F309-F366 AromaticContact CE1-CD2 3.99Å; F309-F366 HydrophobicContact CE1-CD2 3.99Å; F309-F366 AromaticContact CE1-CE2 3.91Å; F309-F366 HydrophobicContact CE1-CE2 3.91Å; F309-F366 HydrophobicContact CZ-CD2 4.47Å; I351-F366 HydrophobicContact CB-CZ 4.34Å; I351-F366 HydrophobicContact CG2-CZ 4.37Å; L353-F366 HydrophobicContact CD1-CD2 4.17Å; L353-F366 HydrophobicContact CD1-CE2 4.14Å; L353-F366 HydrophobicContact CD2-CE2 4.45Å; L361-F366 HydrophobicContact CB-CB 4.48Å; L361-F366 HydrophobicContact CD1-CB 4.47Å; L361-F366 HydrophobicContact CD1-CD2 3.97Å; S362-F366 WeakPolarHBondContact O-CB 3.42Å; S362-F366 PolarHBondContact O-N 3Å; E364-F366 VanDerWaalsContact C-N 3.33Å; E364-F366 PolarHBondContact O-N 3.31Å; F366-Q368 VanDerWaalsContact C-N 3.34Å; F366-Q368 PolarHBondContact O-N 3.41Å; F366-L369 PolarHBondContact O-N 3.38Å; F366-L370 HydrophobicContact CE1-CD2 4.21Å; F366-L370 WeakPolarHBondContact O-CB 3.37Å; F366-L370 PolarHBondContact O-N 3.47Å; F366-S390 VanDerWaalsContact CD1-OG 3.31Å; F366-S390 WeakPolarHBondContact CD1-OG 3.41Å
367T94.4Very high91.8Very high47 Ų4749.9 Ų49.929%0.28826%0.256SS..Hα-helixtrans-61.2-43.8178.6-55.50000111.2Q363 E364 L370 A371 S390Q363-T367 WeakPolarHBondContact O-CB 3.42Å; Q363-T367 PolarHBondContact O-N 3.38Å; Q363-T367 PolarHBondContact O-OG1 2.88Å; E364-T367 PolarHBondContact O-N 2.83Å; T367-L370 PolarHBondContact O-N 3.36Å; T367-A371 WeakPolarHBondContact O-CB 3.47Å; T367-A371 PolarHBondContact O-N 2.97Å; T367-S390 PolarHBondContact OG1-OG 2.91Å
368Q94.7Very high91.6Very high113 Ų11354.8 Ų54.853%0.52828%0.28SS..Hα-helixtrans-62.9-50177.9-175.6177.1-1.400111.5E364 H365 F366 L370 A371 D372E364-Q368 PolarHBondContact O-N 3.45Å; H365-Q368 PolarHBondContact O-N 2.97Å; F366-Q368 VanDerWaalsContact C-N 3.34Å; F366-Q368 PolarHBondContact O-N 3.41Å; Q368-L370 VanDerWaalsContact C-N 3.29Å; Q368-L370 PolarHBondContact O-N 2.86Å; Q368-A371 PolarHBondContact O-N 2.99Å; Q368-A371 VanDerWaalsContact O-N 3.17Å; Q368-D372 WeakPolarHBondContact O-CB 3.43Å; Q368-D372 VanDerWaalsContact O-CG 3.29Å; Q368-D372 PolarHBondContact O-N 3.02Å
369L95.2Very high91Very high35 Ų3558.2 Ų58.218%0.18330%0.295CS..Hα-helixtrans-59.6-41.1177.4-72.5170000111.8A304 F309 L361 H365 F366 G373A304-L369 HydrophobicContact CB-CB 4.28Å; A304-L369 HydrophobicContact CB-CD2 4.31Å; A304-L369 WeakPolarHBondContact CB-O 3.23Å; F309-L369 HydrophobicContact CE2-CB 4.05Å; F309-L369 HydrophobicContact CE2-CD1 3.92Å; F309-L369 HydrophobicContact CE2-CG 4.49Å; F309-L369 HydrophobicContact CZ-CB 3.99Å; F309-L369 HydrophobicContact CZ-CD1 3.74Å; F309-L369 HydrophobicContact CZ-CG 4.5Å; L361-L369 HydrophobicContact CD1-CD1 4.36Å; L361-L369 HydrophobicContact CD2-CD1 3.78Å; H365-L369 WeakPolarHBondContact O-CB 3.4Å; H365-L369 VanDerWaalsContact O-CG 3.31Å; H365-L369 WeakPolarHBondContact O-CG 3.43Å; H365-L369 PolarHBondContact O-N 2.94Å; F366-L369 PolarHBondContact O-N 3.38Å; L369-G373 PolarHBondContact O-N 3.2Å
370L96Very high90.3Very high2 Ų263.7 Ų63.71%0.0133%0.329CS..Hα-helixtrans-62.1-45.6176178.162000111.6V259 I297 L301 F366 T367 Q368 Y374V259-L370 HydrophobicContact CG1-CD2 3.69Å; V259-L370 HydrophobicContact CG2-CD2 4.18Å; I297-L370 HydrophobicContact CG2-CD1 4.12Å; L301-L370 HydrophobicContact CD2-CB 3.94Å; L301-L370 HydrophobicContact CD2-CD1 3.81Å; L301-L370 HydrophobicContact CD2-CG 4.45Å; L301-L370 HydrophobicContact CG-CD1 3.96Å; F366-L370 HydrophobicContact CE1-CD2 4.21Å; F366-L370 WeakPolarHBondContact O-CB 3.37Å; F366-L370 PolarHBondContact O-N 3.47Å; T367-L370 PolarHBondContact O-N 3.36Å; Q368-L370 VanDerWaalsContact C-N 3.29Å; Q368-L370 PolarHBondContact O-N 2.86Å; L370-Y374 WeakPolarHBondContact O-CB 3.4Å; L370-Y374 PolarHBondContact O-N 2.7Å
371A93.7Very high89.3Confident39 Ų3962.2 Ų62.232%0.32233%0.326SS..Hα-helixtrans-65.2-46178.900000112T367 Q368 G373 Y374 N375T367-A371 WeakPolarHBondContact O-CB 3.47Å; T367-A371 PolarHBondContact O-N 2.97Å; Q368-A371 PolarHBondContact O-N 2.99Å; Q368-A371 VanDerWaalsContact O-N 3.17Å; A371-G373 VanDerWaalsContact C-N 3.35Å; A371-G373 PolarHBondContact O-N 3.44Å; A371-Y374 PolarHBondContact O-N 2.95Å; A371-N375 WeakPolarHBondContact O-CB 3.31Å; A371-N375 VanDerWaalsContact O-CG 3.26Å; A371-N375 PolarHBondContact O-N 3.47Å; A371-N375 PolarHBondContact O-ND2 3.17Å
372D94.1Very high88.6Confident66 Ų6667.9 Ų67.935%0.35336%0.356SS..Hα-helixtrans-60.7-45.8178.1-70.8-18000110.9Q368 N375 Q376Q368-D372 WeakPolarHBondContact O-CB 3.43Å; Q368-D372 VanDerWaalsContact O-CG 3.29Å; Q368-D372 PolarHBondContact O-N 3.02Å; D372-N375 PolarHBondContact O-N 3.47Å; D372-Q376 VanDerWaalsContact O-CG 3.29Å; D372-Q376 WeakPolarHBondContact O-CG 3.46Å; D372-Q376 PolarHBondContact O-N 2.95Å; D372-Q376 PolarHBondContact O-NE2 2.94Å
373G94Very high88.4Confident0 Ų067.1 Ų67.10%035%0.351CS..Hα-helixtrans-64-42.3175.600000113.3S300 L369 A371 N375 Q376 V377S300-G373 WeakPolarHBondContact O-CA 3.24Å; L369-G373 PolarHBondContact O-N 3.2Å; A371-G373 VanDerWaalsContact C-N 3.35Å; A371-G373 PolarHBondContact O-N 3.44Å; G373-N375 VanDerWaalsContact C-N 3.26Å; G373-N375 PolarHBondContact O-N 2.95Å; G373-Q376 PolarHBondContact O-N 3.25Å; G373-Q376 VanDerWaalsContact O-N 3.15Å; G373-V377 WeakPolarHBondContact O-CB 3.44Å; G373-V377 PolarHBondContact O-N 2.92Å
374Y93.5Very high88.3Confident14 Ų1464.8 Ų64.86%0.05534%0.341CS..Hα-helixtrans-66.8-28.6179-176.2-101.5000112.7S300 L370 A371 V377 K379 L385 L388S300-Y374 WeakPolarHBondContact OG-CA 3.47Å; S300-Y374 WeakPolarHBondContact OG-CD2 3.45Å; L370-Y374 WeakPolarHBondContact O-CB 3.4Å; L370-Y374 PolarHBondContact O-N 2.7Å; A371-Y374 PolarHBondContact O-N 2.95Å; Y374-V377 HydrophobicContact CD2-CG1 4.46Å; Y374-K379 WeakPolarHBondContact O-CE 3.36Å; Y374-L385 VanDerWaalsContact CE1-O 3.31Å; Y374-L385 WeakPolarHBondContact CE1-O 3.27Å; Y374-L385 HydrophobicContact CE2-CB 3.91Å; Y374-L385 HydrophobicContact CE2-CD1 4.28Å; Y374-L385 HydrophobicContact CE2-CG 4.15Å; Y374-L385 PolarHBondContact OH-N 3.49Å; Y374-L385 PolarHBondContact OH-O 2.87Å; Y374-L388 HydrophobicContact CD1-CD1 3.73Å; Y374-L388 HydrophobicContact CD2-CD1 4Å; Y374-L388 HydrophobicContact CE1-CD1 4.26Å; Y374-L388 HydrophobicContact CG-CD1 3.62Å
375N90.5Very high88.3Confident120 Ų12058.2 Ų58.264%0.64231%0.31SS*.Hα-helixtrans-78.3-25.9174.5-70.3-33.8000112.8A371 D372 G373A371-N375 WeakPolarHBondContact O-CB 3.31Å; A371-N375 VanDerWaalsContact O-CG 3.26Å; A371-N375 PolarHBondContact O-N 3.47Å; A371-N375 PolarHBondContact O-ND2 3.17Å; D372-N375 PolarHBondContact O-N 3.47Å; G373-N375 VanDerWaalsContact C-N 3.26Å; G373-N375 PolarHBondContact O-N 2.95Å
376Q90.6Very high88Confident131 Ų13157 Ų5761%0.61231%0.307SS*.Hα-helixtrans-92.6-25.3179.7-69.3175.152.200113.6T303 D372 G373 N378T303-Q376 HydrophobicContact CG2-CB 3.67Å; D372-Q376 VanDerWaalsContact O-CG 3.29Å; D372-Q376 WeakPolarHBondContact O-CG 3.46Å; D372-Q376 PolarHBondContact O-N 2.95Å; D372-Q376 PolarHBondContact O-NE2 2.94Å; G373-Q376 PolarHBondContact O-N 3.25Å; G373-Q376 VanDerWaalsContact O-N 3.15Å; Q376-N378 PolarHBondContact O-N 2.89Å
377V88.5Confident87.5Confident21 Ų2160.6 Ų60.613%0.12733%0.326CS..SBendtrans-64.6135.5-177.276.40000110.6G373 Y374 K379G373-V377 WeakPolarHBondContact O-CB 3.44Å; G373-V377 PolarHBondContact O-N 2.92Å; Y374-V377 HydrophobicContact CD2-CG1 4.46Å; V377-K379 HydrophobicContact CG1-CG 4.25Å; V377-K379 WeakPolarHBondContact O-CG 3.5Å; V377-K379 PolarHBondContact O-N 2.88Å; V377-K379 VanDerWaalsContact O-N 3.12Å
378N81.9Confident87.3Confident133 Ų13360.2 Ų60.271%0.71132%0.322SS*.  trans-70.1109.6173.7-170.4-2.1000109.4Q376 T380Q376-N378 PolarHBondContact O-N 2.89Å; N378-T380 VanDerWaalsContact C-N 3.26Å; N378-T380 PolarHBondContact O-N 3.5Å
379K75.5Confident87.1Confident72 Ų7260.4 Ų60.431%0.31332%0.324SS..  trans-80.572.1-174.2-52.6-174.7-170.4-177.90110.2Y374 V377 S381 L384Y374-K379 WeakPolarHBondContact O-CE 3.36Å; V377-K379 HydrophobicContact CG1-CG 4.25Å; V377-K379 WeakPolarHBondContact O-CG 3.5Å; V377-K379 PolarHBondContact O-N 2.88Å; V377-K379 VanDerWaalsContact O-N 3.12Å; K379-S381 VanDerWaalsContact C-N 3.29Å; K379-L384 HydrophobicContact CB-CD2 3.91Å; K379-L384 HydrophobicContact CD-CD2 3.43Å; K379-L384 VanDerWaalsContact CD-CD2 3.43Å; K379-L384 HydrophobicContact CG-CD2 4.21Å
380T70.4Confident87Confident114 Ų11459 Ų5970%0.69932%0.316SS*.  trans-81.5-10.1176.457.10000113.2N378N378-T380 VanDerWaalsContact C-N 3.26Å; N378-T380 PolarHBondContact O-N 3.5Å
381S69.4Low86.7Confident33 Ų3361.7 Ų61.723%0.23133%0.333CS..SBendtrans-75.8150.8-179.1-580000111.6S266 K379 A383S266-S381 WeakPolarHBondContact CB-O 3.48Å; S266-S381 PolarHBondContact OG-O 3.29Å; S266-S381 VanDerWaalsContact OG-O 3.14Å; K379-S381 VanDerWaalsContact C-N 3.29Å; S381-A383 PolarHBondContact O-N 2.92Å; S381-A383 VanDerWaalsContact O-N 3.12Å
382D76.3Confident86.4Confident133 Ų13361.6 Ų61.671%0.71132%0.324SS*.SBendtrans-67.2-7.6173.9-68.1-36.6000113.4K265 S266K265-D382 CarbonylContact C-O 3.59Å; K265-D382 WeakPolarHBondContact CA-O 3.35Å; S266-D382 PolarHBondContact N-O 2.86Å
383A86.2Confident86Confident3 Ų360.3 Ų60.33%0.02532%0.317CS..EExtended strand (participates in β ladder)trans-118.5147.3178.100000112.8Y264 I272 V292 L296 S381Y264-A383 CarbonylContact O-C 3.6Å; Y264-A383 WeakPolarHBondContact O-CA 3.28Å; I272-A383 HydrophobicContact CD1-CB 3.91Å; V292-A383 HydrophobicContact CG1-CB 3.69Å; L296-A383 HydrophobicContact CD1-CB 4.27Å; L296-A383 WeakPolarHBondContact CD1-O 3.49Å; S381-A383 PolarHBondContact O-N 2.92Å; S381-A383 VanDerWaalsContact O-N 3.12Å
384L89.9Confident85.4Confident38 Ų3860.9 Ų60.920%0.19932%0.321CS..EExtended strand (participates in β ladder)trans-120.3154.8172.1-60.6168.9000109.1L263 Y264 K379L263-L384 CarbonylContact C-O 3.59Å; L263-L384 WeakPolarHBondContact CA-O 3.26Å; Y264-L384 PolarHBondContact N-O 3.25Å; Y264-L384 PolarHBondContact O-N 2.93Å; K379-L384 HydrophobicContact CB-CD2 3.91Å; K379-L384 HydrophobicContact CD-CD2 3.43Å; K379-L384 VanDerWaalsContact CD-CD2 3.43Å; K379-L384 HydrophobicContact CG-CD2 4.21Å
385L90Very high84.7Confident8 Ų864.5 Ų64.54%0.04235%0.346CS..EExtended strand (participates in β ladder)trans-111137.3175.8-56-179.9000108.4V262 L263 F293 L296 I297 Y374 L388V262-L385 WeakPolarHBondContact O-CA 3.42Å; L263-L385 HydrophobicContact CD2-CD2 4.43Å; L263-L385 HydrophobicContact CG-CD2 3.83Å; F293-L385 HydrophobicContact CD2-CD1 4.35Å; F293-L385 HydrophobicContact CD2-CD2 3.56Å; F293-L385 HydrophobicContact CE2-CD1 4.23Å; F293-L385 HydrophobicContact CE2-CD2 3.65Å; L296-L385 HydrophobicContact CB-CD1 3.93Å; L296-L385 HydrophobicContact CB-CG 4.47Å; L296-L385 HydrophobicContact CD1-CD1 4.42Å; L296-L385 HydrophobicContact CD1-CD2 4.36Å; L296-L385 HydrophobicContact CD1-CG 4.1Å; I297-L385 HydrophobicContact CG1-CD1 4.01Å; Y374-L385 VanDerWaalsContact CE1-O 3.31Å; Y374-L385 WeakPolarHBondContact CE1-O 3.27Å; Y374-L385 HydrophobicContact CE2-CB 3.91Å; Y374-L385 HydrophobicContact CE2-CD1 4.28Å; Y374-L385 HydrophobicContact CE2-CG 4.15Å; Y374-L385 PolarHBondContact OH-N 3.49Å; Y374-L385 PolarHBondContact OH-O 2.87Å; L385-L388 HydrophobicContact CB-CD1 4.23Å; L385-L388 HydrophobicContact CB-CD2 3.95Å; L385-L388 HydrophobicContact CB-CG 4.1Å; L385-L388 HydrophobicContact CD1-CD2 3.88Å
386N87.4Confident84.3Confident75 Ų7561.9 Ų61.940%0.40133%0.334SS..EExtended strand (participates in β ladder)trans-131.2163.6168.6-162.314.1000109.6V262 Y264 L388V262-N386 PolarHBondContact N-O 2.04Å; V262-N386 PolarHBondContact O-N 2.93Å; Y264-N386 HydrophobicContact CD2-CB 3.89Å; Y264-N386 HydrophobicContact CE2-CB 3.53Å; N386-L388 VanDerWaalsContact C-N 3.28Å; N386-L388 PolarHBondContact O-N 3.4Å
387N85.5Confident83.9Confident75 Ų7556 Ų5640%0.40131%0.307SS..EExtended strand (participates in β ladder)trans51.450.7-177.2-57.4-17.7000111E389N387-E389 PolarHBondContact O-N 2.83Å
388L90Very high83.7Confident39 Ų3956.9 Ų56.920%0.20431%0.313CS..EExtended strand (participates in β ladder)trans-68.5119.3176-77.7167.6000109V259 K260 Y374 L385 N386V259-L388 HydrophobicContact CG1-CD2 4.27Å; K260-L388 WeakPolarHBondContact O-CA 3.09Å; Y374-L388 HydrophobicContact CD1-CD1 3.73Å; Y374-L388 HydrophobicContact CD2-CD1 4Å; Y374-L388 HydrophobicContact CE1-CD1 4.26Å; Y374-L388 HydrophobicContact CG-CD1 3.62Å; L385-L388 HydrophobicContact CB-CD1 4.23Å; L385-L388 HydrophobicContact CB-CD2 3.95Å; L385-L388 HydrophobicContact CB-CG 4.1Å; L385-L388 HydrophobicContact CD1-CD2 3.88Å; N386-L388 VanDerWaalsContact C-N 3.28Å; N386-L388 PolarHBondContact O-N 3.4Å
389E90.5Very high83.8Confident118 Ų11852 Ų5255%0.55129%0.288SS*.EExtended strand (participates in β ladder)trans-123.9146.8175-68.6178.9-179.900108.8V259 K260 N387V259-E389 CarbonylContact C-O 3.58Å; V259-E389 WeakPolarHBondContact CA-O 3.39Å; K260-E389 PolarHBondContact N-O 3.39Å; K260-E389 PolarHBondContact O-N 3.15Å; N387-E389 PolarHBondContact O-N 2.83Å
390S92.4Very high84Confident4 Ų452.3 Ų52.33%0.02830%0.3CS..EExtended strand (participates in β ladder)trans-135.7147.6174.686.80000112N258 Q363 F366 T367N258-S390 CarbonylContact O-C 3.52Å; N258-S390 VanDerWaalsContact O-CA 3.23Å; N258-S390 WeakPolarHBondContact O-CA 3.04Å; Q363-S390 WeakPolarHBondContact CG-O 3.28Å; Q363-S390 PolarHBondContact NE2-O 3.02Å; F366-S390 VanDerWaalsContact CD1-OG 3.31Å; F366-S390 WeakPolarHBondContact CD1-OG 3.41Å; T367-S390 PolarHBondContact OG1-OG 2.91Å
391T90.4Very high84Confident59 Ų5949.8 Ų49.836%0.36228%0.282SS..EExtended strand (participates in β ladder)trans-137.7130.6177.9-51.30000109.2F257 N258 I393F257-T391 CarbonylContact C-O 3.38Å; F257-T391 VanDerWaalsContact CA-O 3.28Å; F257-T391 WeakPolarHBondContact CA-O 3.47Å; N258-T391 PolarHBondContact N-O 3.22Å; N258-T391 PolarHBondContact O-N 2.87Å; T391-I393 PolarHBondContact O-N 2.94Å
392R88.5Confident84Confident38 Ų3848.5 Ų48.514%0.14327%0.273CS..EExtended strand (participates in β ladder)trans-71.8126.5172.6-171.6-179.7-178.1168.58.5108.9F257 S359 Q363 S394 N417F257-R392 HydrophobicContact CD1-CB 3.84Å; F257-R392 HydrophobicContact CD1-CG 4.23Å; F257-R392 HydrophobicContact CE1-CB 3.67Å; F257-R392 HydrophobicContact CE1-CG 3.86Å; F257-R392 HydrophobicContact CZ-CB 4.46Å; F257-R392 HydrophobicContact CZ-CG 4.17Å; S359-R392 PolarHBondContact O-NH2 2.97Å; Q363-R392 HydrophobicContact CB-CB 4.38Å; R392-S394 PolarHBondContact NE-O 2.81Å; R392-N417 VanDerWaalsContact CZ-O 3.32Å; R392-N417 PolarHBondContact NH1-O 2.72Å; R392-N417 PolarHBondContact NH2-O 3.4Å
393I84Confident83.3Confident38 Ų3848.1 Ų48.120%0.19527%0.266CS..  trans-110.5-22.9-179.161.7171000113.1Q256 N258 T350 T391Q256-I393 HydrophobicContact CB-CD1 3.96Å; Q256-I393 HydrophobicContact CB-CG1 3.57Å; Q256-I393 WeakPolarHBondContact O-CG1 3.19Å; Q256-I393 PolarHBondContact O-N 3.48Å; N258-I393 HydrophobicContact CB-CG2 3.78Å; T350-I393 HydrophobicContact CG2-CD1 3.56Å; T391-I393 PolarHBondContact O-N 2.94Å
394S82Confident82.4Confident12 Ų1254.6 Ų54.68%0.08430%0.3CS..SBendtrans-81.3144.3173.161.50000111.2T255 Q256 R392T255-S394 WeakPolarHBondContact CA-OG 3.49Å; T255-S394 WeakPolarHBondContact CG2-OG 3.4Å; Q256-S394 PolarHBondContact N-OG 3.15Å; Q256-S394 PolarHBondContact O-N 2.71Å; Q256-S394 PolarHBondContact O-OG 3.48Å; R392-S394 PolarHBondContact NE-O 2.81Å
395P78.3Confident81.7Confident91 Ų9153.1 Ų53.159%0.59129%0.293SS*.PPolyproline II helixtrans-61.8161.2171.728.3-35.1000111.9I397P395-I397 PolarHBondContact O-N 2.86Å
396V83.1Confident81.5Confident64 Ų6454 Ų5439%0.38830%0.299SS..PPolyproline II helixtrans-66.2123.6172.1179.30000108.9N417V396-N417 VanDerWaalsContact CG1-C 3.45Å; V396-N417 WeakPolarHBondContact CG1-O 3.19Å
397I82.7Confident81.3Confident9 Ų951.4 Ų51.45%0.04629%0.29CS..PPolyproline II helixtrans-75.3139.2177.5-60.6172.9000109.2V253 F254 P395 T402 G418 V419V253-I397 HydrophobicContact CG1-CD1 3.78Å; F254-I397 WeakPolarHBondContact O-CD1 3.23Å; P395-I397 PolarHBondContact O-N 2.86Å; I397-T402 HydrophobicContact CG2-CG2 3.4Å; I397-T402 VanDerWaalsContact CG2-CG2 3.4Å; I397-G418 CarbonylContact O-C 3.55Å; I397-G418 WeakPolarHBondContact O-CA 3.42Å; I397-V419 HydrophobicContact CG2-CG1 4.13Å; I397-V419 HydrophobicContact CG2-CG2 4.07Å; I397-V419 WeakPolarHBondContact O-CG1 3.43Å
398T84.3Confident81.2Confident39 Ų3955.7 Ų55.724%0.23931%0.308CS..  trans-123.3156.7172.5640000110.7S400 N401 T402 N414T398-S400 PolarHBondContact O-N 2.98Å; T398-S400 PolarHBondContact OG1-OG 3.37Å; T398-N401 PolarHBondContact O-N 2.98Å; T398-N401 PolarHBondContact OG1-ND2 3.14Å; T398-N401 PolarHBondContact OG1-OD1 3.12Å; T398-T402 PolarHBondContact O-N 2.84Å; T398-T402 PolarHBondContact O-OG1 3.37Å; T398-N414 WeakPolarHBondContact CA-OD1 2.89Å
399C83.7Confident81.1Confident30 Ų3057.6 Ų57.620%0.20332%0.315CS..G310 helixtrans-60.3-29.9177.4-63.60000112.6N401 T402 C412 R413 N414C399-N401 VanDerWaalsContact C-N 3.26Å; C399-N401 PolarHBondContact O-N 3.43Å; C399-T402 PolarHBondContact O-N 3.47Å; C399-C412 VanDerWaalsContact CA-SG 3.51Å; C399-C412 HydrophobicContact CB-CB 3.74Å; C399-C412 WeakPolarHBondContact CB-SG 3.42Å; C399-C412 WeakPolarHBondContact SG-CB 3.27Å; C399-C412 CovalentContact SG-SG 2.04Å; C399-C412 PolarHBondContact SG-SG 3.13Å; C399-R413 PolarHBondContact SG-N 3.32Å; C399-R413 VanDerWaalsContact SG-N 3.36Å; C399-N414 PolarHBondContact N-OD1 3.17Å; C399-N414 PolarHBondContact SG-OD1 3.25Å; C399-N414 VanDerWaalsContact SG-OD1 3.34Å
400S78.7Confident81.1Confident79 Ų7952.8 Ų52.855%0.55230%0.296SS*.G310 helixtrans-65.4-32175.457.60000112.4T398 T402T398-S400 PolarHBondContact O-N 2.98Å; T398-S400 PolarHBondContact OG1-OG 3.37Å; S400-T402 VanDerWaalsContact C-N 3.34Å
401N71.8Confident81Confident61 Ų6155.3 Ų55.333%0.32631%0.313SS..G310 helixtrans-90.8-5.1-175.3-60.81.3000111.9I250 T398 C399I250-N401 PolarHBondContact N-O 3.44Å; I250-N401 VanDerWaalsContact N-O 3.1Å; T398-N401 PolarHBondContact O-N 2.98Å; T398-N401 PolarHBondContact OG1-ND2 3.14Å; T398-N401 PolarHBondContact OG1-OD1 3.12Å; C399-N401 VanDerWaalsContact C-N 3.26Å; C399-N401 PolarHBondContact O-N 3.43Å
402T69Low80.9Confident5 Ų554.5 Ų54.53%0.03131%0.31CS..  trans-132.789.2-172.246.90000111.5I250 I397 T398 C399 S400 L404 V405I250-T402 HydrophobicContact CB-CG2 4.32Å; I397-T402 HydrophobicContact CG2-CG2 3.4Å; I397-T402 VanDerWaalsContact CG2-CG2 3.4Å; T398-T402 PolarHBondContact O-N 2.84Å; T398-T402 PolarHBondContact O-OG1 3.37Å; C399-T402 PolarHBondContact O-N 3.47Å; S400-T402 VanDerWaalsContact C-N 3.34Å; T402-L404 VanDerWaalsContact C-N 3.26Å; T402-L404 PolarHBondContact O-N 2.67Å; T402-V405 VanDerWaalsContact CB-CG2 3.42Å; T402-V405 HydrophobicContact CG2-CG2 3.8Å
403Q61.3Low81Confident125 Ų12560.5 Ų60.558%0.58433%0.333SS*.THydrogen-bonded Turntrans-67.5-18.9-173.4-84.1178.1-11.600115Y249Y249-Q403 HydrophobicContact CD1-CB 4.27Å; Y249-Q403 HydrophobicContact CD1-CG 3.4Å; Y249-Q403 VanDerWaalsContact CD1-CG 3.4Å; Y249-Q403 HydrophobicContact CE1-CG 3.44Å; Y249-Q403 VanDerWaalsContact CE1-CG 3.44Å; Y249-Q403 HydrophobicContact CG-CG 4.28Å; Y249-Q403 PolarHBondContact OH-NE2 3.47Å
404L67.6Low81.2Confident139 Ų13963.4 Ų63.473%0.72835%0.348SS*.THydrogen-bonded Turntrans-141.634.4-166-110.696.6000114.7T402T402-L404 VanDerWaalsContact C-N 3.26Å; T402-L404 PolarHBondContact O-N 2.67Å
405V75.3Confident81.4Confident8 Ų865 Ų655%0.04836%0.358CS..  trans-79.5-40-176.6167.90000112.8V253 L356 T402 V419V253-V405 HydrophobicContact CG2-CB 3.88Å; V253-V405 HydrophobicContact CG2-CG1 3.18Å; V253-V405 HydrophobicContact CG2-CG2 3.33Å; L356-V405 HydrophobicContact CD1-CG1 3.91Å; L356-V405 HydrophobicContact CD2-CG1 3.88Å; L356-V405 HydrophobicContact CG-CG1 3.86Å; T402-V405 VanDerWaalsContact CB-CG2 3.42Å; T402-V405 HydrophobicContact CG2-CG2 3.8Å; V405-V419 HydrophobicContact CG1-CG2 4.3Å
406C84.5Confident81.7Confident27 Ų2768.1 Ų68.118%0.18237%0.369CS..SBendtrans-84.1152.4-179.2-51.50000111.5A410 C412 C421C406-A410 HydrophobicContact CB-CB 3.8Å; C406-C412 WeakPolarHBondContact SG-CA 2.98Å; C406-C412 WeakPolarHBondContact SG-CB 3.02Å; C406-C412 PolarHBondContact SG-N 2.62Å; C406-C421 WeakPolarHBondContact CA-SG 3.39Å; C406-C421 HydrophobicContact CB-CB 3.73Å; C406-C421 WeakPolarHBondContact CB-SG 3.4Å; C406-C421 WeakPolarHBondContact SG-CB 3.41Å; C406-C421 CovalentContact SG-SG 2.02Å; C406-C421 PolarHBondContact SG-SG 3.3Å
407G83.6Confident81.8Confident20 Ų2067.7 Ų67.721%0.20637%0.365CS..  trans-68.9176.4173.200000112.6H409 A410 G436 K437G407-H409 PolarHBondContact O-N 2.89Å; G407-A410 PolarHBondContact O-N 2.87Å; G407-G436 WeakPolarHBondContact CA-O 3.48Å; G407-G436 PolarHBondContact N-O 2.94Å; G407-K437 WeakPolarHBondContact CA-O 3.32Å
408Q83.8Confident82Confident164 Ų16467.3 Ų67.377%0.76636%0.363SS*.THydrogen-bonded Turntrans-61.5136.9169.3-70-179.3-13.200109.4A410Q408-A410 VanDerWaalsContact C-N 3.33Å
409H88.8Confident82.2Confident79 Ų7965.4 Ų65.437%0.36635%0.352SS..THydrogen-bonded Turntrans65.832.3-176.6-41.6-70.1000114.2G407 C423 D424 W427 C439G407-H409 PolarHBondContact O-N 2.89Å; H409-C423 WeakPolarHBondContact O-CA 3.25Å; H409-D424 VanDerWaalsContact CA-OD2 3.3Å; H409-D424 WeakPolarHBondContact CA-OD2 3.28Å; H409-D424 PolarHBondContact O-N 3.32Å; H409-W427 HydrophobicContact CB-CD2 3.44Å; H409-W427 VanDerWaalsContact CB-CD2 3.44Å; H409-W427 HydrophobicContact CB-CE3 3.83Å; H409-W427 HydrophobicContact CB-CG 3.76Å; H409-W427 HydrophobicContact CB-CH2 4.37Å; H409-W427 HydrophobicContact CB-CZ2 4.02Å; H409-W427 HydrophobicContact CB-CZ3 4.27Å; H409-W427 AromaticContact CD2-CE2 3.87Å; H409-W427 AromaticContact CD2-CE3 3.78Å; H409-W427 AromaticContact CD2-CH2 3.13Å; H409-W427 WeakPolarHBondContact CD2-CH2 3.22Å; H409-W427 AromaticContact CD2-CZ2 3.45Å; H409-W427 VanDerWaalsContact CD2-CZ2 3.45Å; H409-W427 WeakPolarHBondContact CD2-CZ2 3.4Å; H409-W427 AromaticContact CD2-CZ3 3.3Å; H409-W427 WeakPolarHBondContact CD2-CZ3 3.36Å; H409-W427 AromaticContact CE1-CH2 3.67Å; H409-W427 AromaticContact CE1-CZ2 3.46Å; H409-W427 VanDerWaalsContact CE1-CZ2 3.46Å; H409-W427 WeakPolarHBondContact CE1-CZ2 3.34Å; H409-W427 AromaticContact CG-CD2 3.69Å; H409-W427 AromaticContact CG-CE2 3.36Å; H409-W427 AromaticContact CG-CE3 3.87Å; H409-W427 AromaticContact CG-CH2 3.54Å; H409-W427 AromaticContact CG-CZ2 3.31Å; H409-W427 AromaticContact CG-CZ3 3.8Å; H409-W427 AromaticContact CG-NE1 3.92Å; H409-W427 AromaticContact ND1-CE2 3.62Å; H409-W427 AromaticContact ND1-CH2 3.86Å; H409-W427 AromaticContact ND1-CZ2 3.34Å; H409-W427 VanDerWaalsContact ND1-CZ2 3.34Å; H409-W427 WeakPolarHBondContact ND1-CZ2 3.16Å; H409-W427 AromaticContact ND1-NE1 3.98Å; H409-W427 AromaticContact NE2-CH2 3.23Å; H409-W427 WeakPolarHBondContact NE2-CH2 3.44Å; H409-W427 AromaticContact NE2-CZ2 3.54Å; H409-W427 AromaticContact NE2-CZ3 3.87Å; H409-C439 HydrophobicContact CB-CB 4.35Å
410A89.7Confident82.4Confident17 Ų1765.4 Ų65.414%0.1435%0.351CS..EExtended strand (participates in β ladder)trans-130.7142.3169.400000111.1C406 G407 Q408 T422 G436C406-A410 HydrophobicContact CB-CB 3.8Å; G407-A410 PolarHBondContact O-N 2.87Å; Q408-A410 VanDerWaalsContact C-N 3.33Å; A410-T422 CarbonylContact C-O 3.51Å; A410-T422 VanDerWaalsContact CA-O 3.32Å; A410-T422 WeakPolarHBondContact CA-O 3.37Å; A410-G436 WeakPolarHBondContact CB-O 3.28Å
411S89.7Confident82.9Confident57 Ų5761.8 Ų61.840%0.39933%0.325SS..EExtended strand (participates in β ladder)trans-102.6134.2176.7-70.20000110.4T422 D424S411-T422 PolarHBondContact N-O 3.02Å; S411-T422 PolarHBondContact O-N 3Å; S411-T422 PolarHBondContact O-OG1 3.02Å; S411-D424 WeakPolarHBondContact CB-OD1 3.39Å; S411-D424 PolarHBondContact N-OD1 3.05Å; S411-D424 PolarHBondContact OG-OD1 3.15Å
412C89.4Confident83.8Confident43 Ų4361.5 Ų61.529%0.29133%0.325SS..EExtended strand (participates in β ladder)trans-77.2136.3173.3-172.80000110.4C399 C406C399-C412 VanDerWaalsContact CA-SG 3.51Å; C399-C412 HydrophobicContact CB-CB 3.74Å; C399-C412 WeakPolarHBondContact CB-SG 3.42Å; C399-C412 WeakPolarHBondContact SG-CB 3.27Å; C399-C412 CovalentContact SG-SG 2.04Å; C399-C412 PolarHBondContact SG-SG 3.13Å; C406-C412 WeakPolarHBondContact SG-CA 2.98Å; C406-C412 WeakPolarHBondContact SG-CB 3.02Å; C406-C412 PolarHBondContact SG-N 2.62Å
413R89.1Confident84.8Confident164 Ų16462.6 Ų62.662%0.61933%0.333SS*.EExtended strand (participates in β ladder)trans-125.5135.2170.8-67.6-173.4173.5-148-2.2110.4C399 V419 T420C399-R413 PolarHBondContact SG-N 3.32Å; C399-R413 VanDerWaalsContact SG-N 3.36Å; R413-V419 WeakPolarHBondContact O-CA 3.16Å; R413-T420 HydrophobicContact CB-CG2 3.93Å; R413-T420 PolarHBondContact N-O 2.81Å; R413-T420 PolarHBondContact O-N 2.81Å
414N88.7Confident86.3Confident98 Ų9858.9 Ų58.952%0.52432%0.317SS..EExtended strand (participates in β ladder)trans-71.3141.9170.7-64.8-39.4000109.6T398 C399T398-N414 WeakPolarHBondContact CA-OD1 2.89Å; C399-N414 PolarHBondContact N-OD1 3.17Å; C399-N414 PolarHBondContact SG-OD1 3.25Å; C399-N414 VanDerWaalsContact SG-OD1 3.34Å
415T86.4Confident87.2Confident46 Ų4657.8 Ų57.828%0.28232%0.318SS..  trans-121.8170.6169.864.70000108.3N417 G418 T420T415-N417 PolarHBondContact O-N 3.41Å; T415-N417 VanDerWaalsContact O-N 3.15Å; T415-G418 PolarHBondContact N-O 2.86Å; T415-G418 PolarHBondContact OG1-N 2.94Å; T415-G418 VanDerWaalsContact OG1-N 3.14Å; T415-G418 PolarHBondContact OG1-O 3.47Å; T415-T420 HydrophobicContact CG2-CG2 3.8Å
416D84.8Confident87.8Confident156 Ų15662.7 Ų62.783%0.83434%0.342SS*.SBendtrans-58.6-31.5-177.5-61.2-25.9000113.3
417N85.7Confident88.1Confident56 Ų5665 Ų6530%0.29935%0.347SS..SBendtrans-117.3-2.5-173.6-72.6-57.5000114.6S359 Q360 R392 V396 T415S359-N417 CarbonylContact O-C 3.57Å; Q360-N417 WeakPolarHBondContact O-CB 3.3Å; R392-N417 VanDerWaalsContact CZ-O 3.32Å; R392-N417 PolarHBondContact NH1-O 2.72Å; R392-N417 PolarHBondContact NH2-O 3.4Å; V396-N417 VanDerWaalsContact CG1-C 3.45Å; V396-N417 WeakPolarHBondContact CG1-O 3.19Å; T415-N417 PolarHBondContact O-N 3.41Å; T415-N417 VanDerWaalsContact O-N 3.15Å
418G86.5Confident88.4Confident0 Ų069.6 Ų69.60%036%0.361CS..SBendtrans175.4-144.7-177.600000112.7I397 T415I397-G418 CarbonylContact O-C 3.55Å; I397-G418 WeakPolarHBondContact O-CA 3.42Å; T415-G418 PolarHBondContact N-O 2.86Å; T415-G418 PolarHBondContact OG1-N 2.94Å; T415-G418 VanDerWaalsContact OG1-N 3.14Å; T415-G418 PolarHBondContact OG1-O 3.47Å
419V87.8Confident88.6Confident0 Ų063.7 Ų63.70%034%0.335CS..EExtended strand (participates in β ladder)trans-124.8152.2179.8-66.10000111.7S359 Q360 I397 V405 R413S359-V419 PolarHBondContact OG-O 3.45Å; Q360-V419 WeakPolarHBondContact CG-O 3.44Å; Q360-V419 PolarHBondContact NE2-O 2.95Å; I397-V419 HydrophobicContact CG2-CG1 4.13Å; I397-V419 HydrophobicContact CG2-CG2 4.07Å; I397-V419 WeakPolarHBondContact O-CG1 3.43Å; V405-V419 HydrophobicContact CG1-CG2 4.3Å; R413-V419 WeakPolarHBondContact O-CA 3.16Å
420T88.9Confident88.5Confident30 Ų3063.4 Ų63.418%0.18434%0.339CS..EExtended strand (participates in β ladder)trans-129.1150.9169.8-166.30000109.6R413 T415R413-T420 HydrophobicContact CB-CG2 3.93Å; R413-T420 PolarHBondContact N-O 2.81Å; R413-T420 PolarHBondContact O-N 2.81Å; T415-T420 HydrophobicContact CG2-CG2 3.8Å
421C89.2Confident88.1Confident2 Ų266 Ų661%0.01435%0.351CS..EExtended strand (participates in β ladder)trans-112.6133.3174.9-67.30000109L356 C406 P435L356-C421 HydrophobicContact CD2-CB 3.71Å; L356-C421 WeakPolarHBondContact CD2-SG 3.23Å; C406-C421 WeakPolarHBondContact CA-SG 3.39Å; C406-C421 HydrophobicContact CB-CB 3.73Å; C406-C421 WeakPolarHBondContact CB-SG 3.4Å; C406-C421 WeakPolarHBondContact SG-CB 3.41Å; C406-C421 CovalentContact SG-SG 2.02Å; C406-C421 PolarHBondContact SG-SG 3.3Å; C421-P435 WeakPolarHBondContact CB-O 3.41Å; C421-P435 CarbonylContact O-C 3.45Å
422T89.8Confident87.3Confident55 Ų5568.9 Ų68.934%0.33737%0.368SS..EExtended strand (participates in β ladder)trans-122.1128.6176.6530000108.7A410 S411A410-T422 CarbonylContact C-O 3.51Å; A410-T422 VanDerWaalsContact CA-O 3.32Å; A410-T422 WeakPolarHBondContact CA-O 3.37Å; S411-T422 PolarHBondContact N-O 3.02Å; S411-T422 PolarHBondContact O-N 3Å; S411-T422 PolarHBondContact O-OG1 3.02Å
423C90.3Very high86.4Confident28 Ų2868.3 Ų68.319%0.18937%0.366CS..EExtended strand (participates in β ladder)trans-56.2140.8171.9-64.20000110.5H409 W427 C439H409-C423 WeakPolarHBondContact O-CA 3.25Å; C423-W427 HydrophobicContact CB-CB 3.99Å; C423-C439 WeakPolarHBondContact CA-SG 3.34Å; C423-C439 HydrophobicContact CB-CB 3.85Å; C423-C439 WeakPolarHBondContact CB-SG 3.15Å; C423-C439 WeakPolarHBondContact SG-CB 3.09Å; C423-C439 CovalentContact SG-SG 2.04Å; C423-C439 PolarHBondContact SG-SG 3Å
424D92.2Very high85.7Confident47 Ų4762.4 Ų62.425%0.25135%0.347SS..PPolyproline II helixtrans-64.6160.2179.3-66.6-29.7000110.9H409 S411 M426 W427H409-D424 VanDerWaalsContact CA-OD2 3.3Å; H409-D424 WeakPolarHBondContact CA-OD2 3.28Å; H409-D424 PolarHBondContact O-N 3.32Å; S411-D424 WeakPolarHBondContact CB-OD1 3.39Å; S411-D424 PolarHBondContact N-OD1 3.05Å; S411-D424 PolarHBondContact OG-OD1 3.15Å; D424-M426 PolarHBondContact O-N 3.26Å; D424-W427 WeakPolarHBondContact O-CB 3.35Å; D424-W427 PolarHBondContact O-N 3.25Å
425P87.9Confident85.3Confident116 Ų11659.2 Ų59.275%0.75333%0.331SS*.THydrogen-bonded Turntrans-51141.7174.3-25.534.5000111.2W427P425-W427 VanDerWaalsContact C-N 3.25Å; P425-W427 PolarHBondContact O-N 2.98Å
426M87.1Confident85.1Confident111 Ų11157 Ų5755%0.54732%0.318SS..THydrogen-bonded Turntrans77.9-4.4-173.5-52.3167.272.100115.4D424 H442 T445D424-M426 PolarHBondContact O-N 3.26Å; M426-H442 VanDerWaalsContact O-CB 3.22Å; M426-H442 WeakPolarHBondContact O-CB 3.31Å; M426-H442 PolarHBondContact O-N 3.04Å; M426-T445 WeakPolarHBondContact CA-OG1 3.21Å; M426-T445 HydrophobicContact CB-CG2 3.98Å; M426-T445 VanDerWaalsContact CB-OG1 3.31Å; M426-T445 WeakPolarHBondContact CB-OG1 3.25Å; M426-T445 HydrophobicContact CE-CG2 3.24Å; M426-T445 HydrophobicContact CG-CG2 4.36Å; M426-T445 PolarHBondContact O-OG1 3.12Å
427W91.1Very high85Confident76 Ų7654.4 Ų54.429%0.28830%0.299SS..EExtended strand (participates in β ladder)trans-111147.5175.7-58.581.3000111.3H409 C423 D424 P425 C439 T440 L441H409-W427 HydrophobicContact CB-CD2 3.44Å; H409-W427 VanDerWaalsContact CB-CD2 3.44Å; H409-W427 HydrophobicContact CB-CE3 3.83Å; H409-W427 HydrophobicContact CB-CG 3.76Å; H409-W427 HydrophobicContact CB-CH2 4.37Å; H409-W427 HydrophobicContact CB-CZ2 4.02Å; H409-W427 HydrophobicContact CB-CZ3 4.27Å; H409-W427 AromaticContact CD2-CE2 3.87Å; H409-W427 AromaticContact CD2-CE3 3.78Å; H409-W427 AromaticContact CD2-CH2 3.13Å; H409-W427 WeakPolarHBondContact CD2-CH2 3.22Å; H409-W427 AromaticContact CD2-CZ2 3.45Å; H409-W427 VanDerWaalsContact CD2-CZ2 3.45Å; H409-W427 WeakPolarHBondContact CD2-CZ2 3.4Å; H409-W427 AromaticContact CD2-CZ3 3.3Å; H409-W427 WeakPolarHBondContact CD2-CZ3 3.36Å; H409-W427 AromaticContact CE1-CH2 3.67Å; H409-W427 AromaticContact CE1-CZ2 3.46Å; H409-W427 VanDerWaalsContact CE1-CZ2 3.46Å; H409-W427 WeakPolarHBondContact CE1-CZ2 3.34Å; H409-W427 AromaticContact CG-CD2 3.69Å; H409-W427 AromaticContact CG-CE2 3.36Å; H409-W427 AromaticContact CG-CE3 3.87Å; H409-W427 AromaticContact CG-CH2 3.54Å; H409-W427 AromaticContact CG-CZ2 3.31Å; H409-W427 AromaticContact CG-CZ3 3.8Å; H409-W427 AromaticContact CG-NE1 3.92Å; H409-W427 AromaticContact ND1-CE2 3.62Å; H409-W427 AromaticContact ND1-CH2 3.86Å; H409-W427 AromaticContact ND1-CZ2 3.34Å; H409-W427 VanDerWaalsContact ND1-CZ2 3.34Å; H409-W427 WeakPolarHBondContact ND1-CZ2 3.16Å; H409-W427 AromaticContact ND1-NE1 3.98Å; H409-W427 AromaticContact NE2-CH2 3.23Å; H409-W427 WeakPolarHBondContact NE2-CH2 3.44Å; H409-W427 AromaticContact NE2-CZ2 3.54Å; H409-W427 AromaticContact NE2-CZ3 3.87Å; C423-W427 HydrophobicContact CB-CB 3.99Å; D424-W427 WeakPolarHBondContact O-CB 3.35Å; D424-W427 PolarHBondContact O-N 3.25Å; P425-W427 VanDerWaalsContact C-N 3.25Å; P425-W427 PolarHBondContact O-N 2.98Å; W427-C439 HydrophobicContact CB-CB 4.04Å; W427-C439 HydrophobicContact CE3-CB 4.21Å; W427-T440 CarbonylContact C-O 3.58Å; W427-T440 WeakPolarHBondContact CA-O 3.29Å; W427-L441 HydrophobicContact CD2-CD1 4.35Å; W427-L441 HydrophobicContact CZ2-CD1 4.17Å
428K89.3Confident85Confident116 Ų11656 Ų5650%0.50431%0.308SS..EExtended strand (participates in β ladder)trans-120.5139.6177.9-173.1-174.2170.4-176.90109.2C439 T440 H442K428-C439 WeakPolarHBondContact O-CA 3.31Å; K428-T440 PolarHBondContact N-O 3.07Å; K428-T440 PolarHBondContact O-N 2.82Å; K428-T440 PolarHBondContact O-OG1 2.86Å; K428-H442 HydrophobicContact CB-CB 4.46Å
429D88.5Confident85.1Confident40 Ų4056.4 Ų56.421%0.21431%0.31CS..EExtended strand (participates in β ladder)trans-66.4132.3171.9-149.1-43.1000112.5N431 P435 G436D429-N431 PolarHBondContact OD1-N 2.99Å; D429-P435 WeakPolarHBondContact OD2-CA 3.44Å; D429-P435 WeakPolarHBondContact OD2-CB 3.44Å; D429-G436 PolarHBondContact OD2-N 3.01Å
430V86.3Confident85.3Confident74 Ų7459.5 Ų59.545%0.44833%0.329SS..SBendtrans-83.7-33.1173.5-177.50000111.2N438 T440V430-N438 HydrophobicContact CB-CB 4.35Å; V430-N438 WeakPolarHBondContact CG2-O 3.4Å; V430-N438 PolarHBondContact N-O 3.42Å; V430-T440 HydrophobicContact CG2-CG2 3.24Å; V430-T440 WeakPolarHBondContact CG2-OG1 3.32Å
431N81.2Confident85.3Confident72 Ų7260.8 Ų60.839%0.38534%0.335SS..  trans-125.496.7-174.2-175.113000111.3D429 A433 D434D429-N431 PolarHBondContact OD1-N 2.99Å; N431-A433 PolarHBondContact O-N 2.93Å; N431-A433 VanDerWaalsContact O-N 3.07Å; N431-A433 WeakPolarHBondContact OD1-CB 3.42Å; N431-A433 PolarHBondContact OD1-N 3.38Å; N431-A433 VanDerWaalsContact OD1-N 3.16Å; N431-D434 CarbonylContact O-C 3.58Å; N431-D434 PolarHBondContact O-N 3.26Å
432P72.7Confident85.3Confident117 Ų11764.7 Ų64.776%0.7635%0.353SS*.THydrogen-bonded Turntrans-64-16.8179.725.1-32.3000113.9
433A70Confident85.2Confident30 Ų3066.1 Ų66.125%0.24836%0.363CS..THydrogen-bonded Turntrans-75.5-23.317600000113.3P307 N431P307-A433 HydrophobicContact CB-CB 4.16Å; N431-A433 PolarHBondContact O-N 2.93Å; N431-A433 VanDerWaalsContact O-N 3.07Å; N431-A433 WeakPolarHBondContact OD1-CB 3.42Å; N431-A433 PolarHBondContact OD1-N 3.38Å; N431-A433 VanDerWaalsContact OD1-N 3.16Å
434D75.7Confident85.2Confident41 Ų4166.7 Ų66.722%0.21937%0.373CS..SBendtrans-136.977.2179.3-165.815.4000109.7N431 K437N431-D434 CarbonylContact O-C 3.58Å; N431-D434 PolarHBondContact O-N 3.26Å; D434-K437 PolarHBondContact O-N 3.01Å; D434-K437 WeakPolarHBondContact OD2-CG 3.43Å
435P79.1Confident85Confident31 Ų3165 Ų6520%0.20137%0.365CS..THydrogen-bonded Turntrans-68.1144-163.625.8-34.4000112.7C421 D429 K437C421-P435 WeakPolarHBondContact CB-O 3.41Å; C421-P435 CarbonylContact O-C 3.45Å; D429-P435 WeakPolarHBondContact OD2-CA 3.44Å; D429-P435 WeakPolarHBondContact OD2-CB 3.44Å; P435-K437 PolarHBondContact O-N 3.04Å
436G83.3Confident85Confident0 Ų063.5 Ų63.50%035%0.35CS..THydrogen-bonded Turntrans72.13.1177.200000114.8G407 A410 D429G407-G436 WeakPolarHBondContact CA-O 3.48Å; G407-G436 PolarHBondContact N-O 2.94Å; A410-G436 WeakPolarHBondContact CB-O 3.28Å; D429-G436 PolarHBondContact OD2-N 3.01Å
437K81.9Confident85.2Confident100 Ų10060.2 Ų60.244%0.43534%0.34SS..SBendtrans-78.8-36.2175.4-85-104.4-172.1-176.20113.4G407 D434 P435G407-K437 WeakPolarHBondContact CA-O 3.32Å; D434-K437 PolarHBondContact O-N 3.01Å; D434-K437 WeakPolarHBondContact OD2-CG 3.43Å; P435-K437 PolarHBondContact O-N 3.04Å
438N86.1Confident85.3Confident90 Ų9062.2 Ų62.248%0.48136%0.356SS..SBendtrans-134.7100178.3-164.73.6000109.8V430V430-N438 HydrophobicContact CB-CB 4.35Å; V430-N438 WeakPolarHBondContact CG2-O 3.4Å; V430-N438 PolarHBondContact N-O 3.42Å
439C89.3Confident85.4Confident9 Ų961 Ų616%0.06135%0.354CS..EExtended strand (participates in β ladder)trans-101.9128.1-179.3-61.90000109.1H409 C423 W427 K428H409-C439 HydrophobicContact CB-CB 4.35Å; C423-C439 WeakPolarHBondContact CA-SG 3.34Å; C423-C439 HydrophobicContact CB-CB 3.85Å; C423-C439 WeakPolarHBondContact CB-SG 3.15Å; C423-C439 WeakPolarHBondContact SG-CB 3.09Å; C423-C439 CovalentContact SG-SG 2.04Å; C423-C439 PolarHBondContact SG-SG 3Å; W427-C439 HydrophobicContact CB-CB 4.04Å; W427-C439 HydrophobicContact CE3-CB 4.21Å; K428-C439 WeakPolarHBondContact O-CA 3.31Å
440T91.7Very high85.7Confident65 Ų6563 Ų6340%0.39937%0.367SS..EExtended strand (participates in β ladder)trans-114.6152.2174.951.70000110.3W427 K428 V430 H442W427-T440 CarbonylContact C-O 3.58Å; W427-T440 WeakPolarHBondContact CA-O 3.29Å; K428-T440 PolarHBondContact N-O 3.07Å; K428-T440 PolarHBondContact O-N 2.82Å; K428-T440 PolarHBondContact O-OG1 2.86Å; V430-T440 HydrophobicContact CG2-CG2 3.24Å; V430-T440 WeakPolarHBondContact CG2-OG1 3.32Å; T440-H442 PolarHBondContact O-N 3.31Å
441L88.1Confident86.1Confident56 Ų5665.9 Ų65.929%0.29337%0.374SS..EExtended strand (participates in β ladder)trans-60127.8-178.8-160.667.9000109.9W427 T445 I446 I449W427-L441 HydrophobicContact CD2-CD1 4.35Å; W427-L441 HydrophobicContact CZ2-CD1 4.17Å; L441-T445 HydrophobicContact CD1-CG2 3.77Å; L441-T445 HydrophobicContact CD2-CG2 4.09Å; L441-T445 HydrophobicContact CG-CG2 3.87Å; L441-I446 HydrophobicContact CB-CD1 4.32Å; L441-I446 HydrophobicContact CB-CG1 4.2Å; L441-I446 HydrophobicContact CD2-CG1 3.64Å; L441-I446 HydrophobicContact CG-CG1 4.01Å; L441-I449 HydrophobicContact CD2-CD1 4.1Å
442H89.1Confident86.7Confident85 Ų8565 Ų6539%0.39438%0.376SS..  trans-60.1135.3-177.7-172.6-86.1000109.6M426 K428 T440 G444 T445 I446M426-H442 VanDerWaalsContact O-CB 3.22Å; M426-H442 WeakPolarHBondContact O-CB 3.31Å; M426-H442 PolarHBondContact O-N 3.04Å; K428-H442 HydrophobicContact CB-CB 4.46Å; T440-H442 PolarHBondContact O-N 3.31Å; H442-G444 PolarHBondContact ND1-N 2.83Å; H442-G444 PolarHBondContact O-N 2.79Å; H442-G444 VanDerWaalsContact O-N 3.09Å; H442-T445 WeakPolarHBondContact O-CA 3.45Å; H442-T445 VanDerWaalsContact O-CB 3.25Å; H442-T445 WeakPolarHBondContact O-CB 3.3Å; H442-T445 PolarHBondContact O-N 2.91Å; H442-I446 PolarHBondContact O-N 2.84Å; H442-I446 VanDerWaalsContact O-N 3.16Å
443P88.3Confident87.9Confident84 Ų8460.9 Ų60.955%0.54536%0.355SS..Hα-helixtrans-53.7-35.9-178.6-28.734.8000113.9T445 I446 A447P443-T445 PolarHBondContact O-N 2.83Å; P443-I446 WeakPolarHBondContact O-CB 3.48Å; P443-I446 PolarHBondContact O-N 2.81Å; P443-A447 PolarHBondContact O-N 2.96Å
444G89.6Confident89.1Confident40 Ų4063.4 Ų63.441%0.41236%0.364SS..Hα-helixtrans-64-35.7174.600000113.9H442 A447 L448H442-G444 PolarHBondContact ND1-N 2.83Å; H442-G444 PolarHBondContact O-N 2.79Å; H442-G444 VanDerWaalsContact O-N 3.09Å; G444-A447 PolarHBondContact O-N 3.45Å; G444-L448 PolarHBondContact O-N 2.86Å
445T88.6Confident90.1Very high13 Ų1367 Ų678%0.0838%0.382CS..Hα-helixtrans-66-43.9173.8-59.20000111M426 L441 H442 P443 A447 L448 I449M426-T445 WeakPolarHBondContact CA-OG1 3.21Å; M426-T445 HydrophobicContact CB-CG2 3.98Å; M426-T445 VanDerWaalsContact CB-OG1 3.31Å; M426-T445 WeakPolarHBondContact CB-OG1 3.25Å; M426-T445 HydrophobicContact CE-CG2 3.24Å; M426-T445 HydrophobicContact CG-CG2 4.36Å; M426-T445 PolarHBondContact O-OG1 3.12Å; L441-T445 HydrophobicContact CD1-CG2 3.77Å; L441-T445 HydrophobicContact CD2-CG2 4.09Å; L441-T445 HydrophobicContact CG-CG2 3.87Å; H442-T445 WeakPolarHBondContact O-CA 3.45Å; H442-T445 VanDerWaalsContact O-CB 3.25Å; H442-T445 WeakPolarHBondContact O-CB 3.3Å; H442-T445 PolarHBondContact O-N 2.91Å; P443-T445 PolarHBondContact O-N 2.83Å; T445-A447 VanDerWaalsContact C-N 3.3Å; T445-A447 PolarHBondContact O-N 2.84Å; T445-L448 PolarHBondContact O-N 2.78Å; T445-L448 VanDerWaalsContact O-N 3.16Å; T445-I449 HydrophobicContact CG2-CD1 3.83Å; T445-I449 HydrophobicContact CG2-CG1 4.35Å; T445-I449 WeakPolarHBondContact O-CG1 3.38Å; T445-I449 PolarHBondContact O-N 3.43Å
446I89.1Confident91Very high84 Ų8470.9 Ų70.943%0.43140%0.401SS..Hα-helixtrans-57.9-48176.9-64.1169000109.5L441 H442 P443 L448 I449 V450L441-I446 HydrophobicContact CB-CD1 4.32Å; L441-I446 HydrophobicContact CB-CG1 4.2Å; L441-I446 HydrophobicContact CD2-CG1 3.64Å; L441-I446 HydrophobicContact CG-CG1 4.01Å; H442-I446 PolarHBondContact O-N 2.84Å; H442-I446 VanDerWaalsContact O-N 3.16Å; P443-I446 WeakPolarHBondContact O-CB 3.48Å; P443-I446 PolarHBondContact O-N 2.81Å; I446-L448 VanDerWaalsContact C-N 3.33Å; I446-L448 PolarHBondContact O-N 2.97Å; I446-I449 PolarHBondContact O-N 3.2Å; I446-V450 HydrophobicContact CG2-CG2 4.49Å; I446-V450 VanDerWaalsContact O-CG2 3.29Å; I446-V450 WeakPolarHBondContact O-CG2 3.38Å; I446-V450 PolarHBondContact O-N 2.98Å
447A90.8Very high91.6Very high42 Ų4275.6 Ų75.635%0.34743%0.425SS..Hα-helixtrans-57.6-45.2176.100000111.9P443 G444 T445 I449 V450 F451P443-A447 PolarHBondContact O-N 2.96Å; G444-A447 PolarHBondContact O-N 3.45Å; T445-A447 VanDerWaalsContact C-N 3.3Å; T445-A447 PolarHBondContact O-N 2.84Å; A447-I449 PolarHBondContact O-N 3.05Å; A447-V450 PolarHBondContact O-N 3.01Å; A447-F451 HydrophobicContact CB-CD2 4.47Å; A447-F451 HydrophobicContact CB-CE2 4.36Å; A447-F451 WeakPolarHBondContact O-CD2 3.47Å; A447-F451 PolarHBondContact O-N 3.07Å
448L92.4Very high92.4Very high117 Ų11775.6 Ų75.661%0.61343%0.429SS*.Hα-helixtrans-61.7-45.2179.1-165.9158.8000112G444 T445 I446 V450 F451 A452G444-L448 PolarHBondContact O-N 2.86Å; T445-L448 PolarHBondContact O-N 2.78Å; T445-L448 VanDerWaalsContact O-N 3.16Å; I446-L448 VanDerWaalsContact C-N 3.33Å; I446-L448 PolarHBondContact O-N 2.97Å; L448-V450 VanDerWaalsContact C-N 3.32Å; L448-V450 PolarHBondContact O-N 2.62Å; L448-F451 PolarHBondContact O-N 2.9Å; L448-A452 WeakPolarHBondContact O-CB 3.49Å; L448-A452 PolarHBondContact O-N 3.03Å
449I92.5Very high92.9Very high92 Ų9273.6 Ų73.647%0.47243%0.425SS..Hα-helixtrans-61.2-42.8176.6-67.7169000110.6L441 T445 I446 A447 A452 G453L441-I449 HydrophobicContact CD2-CD1 4.1Å; T445-I449 HydrophobicContact CG2-CD1 3.83Å; T445-I449 HydrophobicContact CG2-CG1 4.35Å; T445-I449 WeakPolarHBondContact O-CG1 3.38Å; T445-I449 PolarHBondContact O-N 3.43Å; I446-I449 PolarHBondContact O-N 3.2Å; A447-I449 PolarHBondContact O-N 3.05Å; I449-A452 PolarHBondContact O-N 3.32Å; I449-G453 PolarHBondContact O-N 3.32Å
450V93.8Very high93.3Very high80 Ų8077.1 Ų77.149%0.48544%0.443SS..Hα-helixtrans-62.9-46.5177171.70000110.9I446 A447 L448 G453 I454I446-V450 HydrophobicContact CG2-CG2 4.49Å; I446-V450 VanDerWaalsContact O-CG2 3.29Å; I446-V450 WeakPolarHBondContact O-CG2 3.38Å; I446-V450 PolarHBondContact O-N 2.98Å; A447-V450 PolarHBondContact O-N 3.01Å; L448-V450 VanDerWaalsContact C-N 3.32Å; L448-V450 PolarHBondContact O-N 2.62Å; V450-G453 PolarHBondContact O-N 2.84Å; V450-I454 HydrophobicContact CG1-CD1 3.86Å; V450-I454 VanDerWaalsContact O-CG1 3.28Å; V450-I454 WeakPolarHBondContact O-CG1 3.42Å; V450-I454 PolarHBondContact O-N 3.05Å
451F94.6Very high93.5Very high136 Ų13678.7 Ų78.760%0.59645%0.448SS*.Hα-helixtrans-62.5-44.3176.7-77.9-62.6000112.5A447 L448 G453 I454 L455A447-F451 HydrophobicContact CB-CD2 4.47Å; A447-F451 HydrophobicContact CB-CE2 4.36Å; A447-F451 WeakPolarHBondContact O-CD2 3.47Å; A447-F451 PolarHBondContact O-N 3.07Å; L448-F451 PolarHBondContact O-N 2.9Å; F451-G453 VanDerWaalsContact C-N 3.33Å; F451-G453 PolarHBondContact O-N 3.19Å; F451-I454 PolarHBondContact O-N 2.83Å; F451-L455 WeakPolarHBondContact O-CG 3.34Å; F451-L455 PolarHBondContact O-N 3.18Å
452A94.8Very high93.9Very high52 Ų5278 Ų7843%0.4345%0.45SS..Hα-helixtrans-62.3-40.7176.500000111.7L448 I449 L455 L456L448-A452 WeakPolarHBondContact O-CB 3.49Å; L448-A452 PolarHBondContact O-N 3.03Å; I449-A452 PolarHBondContact O-N 3.32Å; A452-L455 PolarHBondContact O-N 2.62Å; A452-L456 WeakPolarHBondContact O-CB 3.46Å; A452-L456 PolarHBondContact O-N 2.6Å
453G96.5Very high94.2Very high31 Ų3178.7 Ų78.732%0.3246%0.456SS..Hα-helixtrans-62-44.2174.500000112.6I449 V450 F451 L456 I457I449-G453 PolarHBondContact O-N 3.32Å; V450-G453 PolarHBondContact O-N 2.84Å; F451-G453 VanDerWaalsContact C-N 3.33Å; F451-G453 PolarHBondContact O-N 3.19Å; G453-L456 PolarHBondContact O-N 3.21Å; G453-I457 VanDerWaalsContact O-CG1 3.3Å; G453-I457 WeakPolarHBondContact O-CG1 3.32Å; G453-I457 PolarHBondContact O-N 3.13Å
454I96.9Very high94.6Very high83 Ų8379 Ų7943%0.42645%0.452SS..Hα-helixtrans-62.1-45.2175.8-67.8165.2000110.7V450 F451 L456 I457 L458V450-I454 HydrophobicContact CG1-CD1 3.86Å; V450-I454 VanDerWaalsContact O-CG1 3.28Å; V450-I454 WeakPolarHBondContact O-CG1 3.42Å; V450-I454 PolarHBondContact O-N 3.05Å; F451-I454 PolarHBondContact O-N 2.83Å; I454-L456 PolarHBondContact O-N 3.41Å; I454-I457 PolarHBondContact O-N 2.99Å; I454-L458 HydrophobicContact CG2-CD1 4.16Å; I454-L458 WeakPolarHBondContact O-CG 3.28Å; I454-L458 PolarHBondContact O-N 3.18Å
455L96.6Very high94.9Very high117 Ų11783.2 Ų83.261%0.61346%0.459SS*.Hα-helixtrans-63.6-39.4178.1-71.2175.8000112.4F451 A452 L458 A459F451-L455 WeakPolarHBondContact O-CG 3.34Å; F451-L455 PolarHBondContact O-N 3.18Å; A452-L455 PolarHBondContact O-N 2.62Å; L455-L458 PolarHBondContact O-N 2.99Å; L455-A459 WeakPolarHBondContact O-CB 3.46Å; L455-A459 PolarHBondContact O-N 3.03Å
456L97Very high95.1Very high113 Ų11388.9 Ų88.959%0.59248%0.483SS*.Hα-helixtrans-61.8-45.5175-171.587.8000111.1A452 G453 I454 L458 A459 I460A452-L456 WeakPolarHBondContact O-CB 3.46Å; A452-L456 PolarHBondContact O-N 2.6Å; G453-L456 PolarHBondContact O-N 3.21Å; I454-L456 PolarHBondContact O-N 3.41Å; L456-L458 PolarHBondContact O-N 2.64Å; L456-A459 WeakPolarHBondContact O-CB 3.35Å; L456-A459 PolarHBondContact O-N 3.18Å; L456-I460 HydrophobicContact CD2-CD1 4.3Å; L456-I460 HydrophobicContact CG-CD1 4.16Å; L456-I460 WeakPolarHBondContact O-CG1 3.46Å; L456-I460 PolarHBondContact O-N 3.02Å
457I97.1Very high95.3Very high99 Ų9989.1 Ų89.151%0.50848%0.484SS..Hα-helixtrans-61.5-44.8177.9-69166.9000110.5G453 I454 A459 I460 I461G453-I457 VanDerWaalsContact O-CG1 3.3Å; G453-I457 WeakPolarHBondContact O-CG1 3.32Å; G453-I457 PolarHBondContact O-N 3.13Å; I454-I457 PolarHBondContact O-N 2.99Å; I457-A459 VanDerWaalsContact C-N 3.32Å; I457-A459 PolarHBondContact O-N 2.67Å; I457-I460 PolarHBondContact O-N 3.37Å; I457-I461 HydrophobicContact CG2-CD1 3.87Å; I457-I461 HydrophobicContact CG2-CG1 4.49Å; I457-I461 VanDerWaalsContact O-CG1 3.32Å; I457-I461 WeakPolarHBondContact O-CG1 3.31Å; I457-I461 PolarHBondContact O-N 3.13Å
458L97Very high95.4Very high100 Ų10091.8 Ų91.852%0.52449%0.491SS..Hα-helixtrans-61.4-40.1176.1-70.3174.1000112.2I454 L455 L456 I461 A462I454-L458 HydrophobicContact CG2-CD1 4.16Å; I454-L458 WeakPolarHBondContact O-CG 3.28Å; I454-L458 PolarHBondContact O-N 3.18Å; L455-L458 PolarHBondContact O-N 2.99Å; L456-L458 PolarHBondContact O-N 2.64Å; L458-I461 PolarHBondContact O-N 2.72Å; L458-A462 WeakPolarHBondContact O-CB 3.36Å; L458-A462 PolarHBondContact O-N 2.99Å
459A97Very high95.3Very high48 Ų4892.1 Ų92.140%0.39749%0.488SS..Hα-helixtrans-63.4-42.9175.500000111.8L455 L456 I457 A462 I463L455-A459 WeakPolarHBondContact O-CB 3.46Å; L455-A459 PolarHBondContact O-N 3.03Å; L456-A459 WeakPolarHBondContact O-CB 3.35Å; L456-A459 PolarHBondContact O-N 3.18Å; I457-A459 VanDerWaalsContact C-N 3.32Å; I457-A459 PolarHBondContact O-N 2.67Å; A459-A462 PolarHBondContact O-N 3.24Å; A459-I463 VanDerWaalsContact O-CG1 3.28Å; A459-I463 WeakPolarHBondContact O-CG1 3.31Å; A459-I463 PolarHBondContact O-N 3.05Å
460I97.3Very high95.1Very high83 Ų8391.2 Ų91.243%0.42649%0.487SS..Hα-helixtrans-62.2-45.1175.9-67.7165.8000110.7L456 I457 A462 I463 I464L456-I460 HydrophobicContact CD2-CD1 4.3Å; L456-I460 HydrophobicContact CG-CD1 4.16Å; L456-I460 WeakPolarHBondContact O-CG1 3.46Å; L456-I460 PolarHBondContact O-N 3.02Å; I457-I460 PolarHBondContact O-N 3.37Å; I460-A462 VanDerWaalsContact C-N 3.32Å; I460-A462 PolarHBondContact O-N 2.91Å; I460-I463 PolarHBondContact O-N 3.2Å; I460-I464 HydrophobicContact CG2-CD1 3.87Å; I460-I464 HydrophobicContact CG2-CG1 4.46Å; I460-I464 WeakPolarHBondContact O-CG1 3.43Å; I460-I464 PolarHBondContact O-N 3.03Å
461I96.9Very high94.7Very high98 Ų9891.2 Ų91.250%0.50348%0.484SS..Hα-helixtrans-59.8-44.2176.8-68.4166.7000110.7I457 L458 I464 F465I457-I461 HydrophobicContact CG2-CD1 3.87Å; I457-I461 HydrophobicContact CG2-CG1 4.49Å; I457-I461 VanDerWaalsContact O-CG1 3.32Å; I457-I461 WeakPolarHBondContact O-CG1 3.31Å; I457-I461 PolarHBondContact O-N 3.13Å; L458-I461 PolarHBondContact O-N 2.72Å; I461-I464 PolarHBondContact O-N 3.16Å; I461-F465 WeakPolarHBondContact O-CB 3.42Å; I461-F465 PolarHBondContact O-N 3.27Å
462A96Very high94.1Very high42 Ų4289 Ų8935%0.34748%0.476SS..Hα-helixtrans-61.7-44.7176.700000111.7L458 A459 I460 I464 F465 F466L458-A462 WeakPolarHBondContact O-CB 3.36Å; L458-A462 PolarHBondContact O-N 2.99Å; A459-A462 PolarHBondContact O-N 3.24Å; I460-A462 VanDerWaalsContact C-N 3.32Å; I460-A462 PolarHBondContact O-N 2.91Å; A462-I464 PolarHBondContact O-N 2.74Å; A462-F465 WeakPolarHBondContact O-CB 3.42Å; A462-F465 PolarHBondContact O-N 3.24Å; A462-F466 WeakPolarHBondContact O-CD2 3.42Å; A462-F466 PolarHBondContact O-N 2.65Å
463I96.3Very high93.4Very high99 Ų9989.9 Ų89.951%0.50848%0.475SS..Hα-helixtrans-60-46.7176.8-69.7165.6000110.9A459 I460 F465 F466 I467A459-I463 VanDerWaalsContact O-CG1 3.28Å; A459-I463 WeakPolarHBondContact O-CG1 3.31Å; A459-I463 PolarHBondContact O-N 3.05Å; I460-I463 PolarHBondContact O-N 3.2Å; I463-F465 VanDerWaalsContact C-N 3.31Å; I463-F465 PolarHBondContact O-N 3.25Å; I463-F466 PolarHBondContact O-N 2.93Å; I463-I467 HydrophobicContact CG2-CD1 3.85Å; I463-I467 HydrophobicContact CG2-CG1 4.44Å; I463-I467 WeakPolarHBondContact O-CG1 3.35Å; I463-I467 PolarHBondContact O-N 3.36Å
464I95.8Very high92.5Very high89 Ų8995.1 Ų95.146%0.45649%0.489SS..Hα-helixtrans-59.2-45.2177-68.7168.7000110.4I460 I461 A462 F466 I467 I468I460-I464 HydrophobicContact CG2-CD1 3.87Å; I460-I464 HydrophobicContact CG2-CG1 4.46Å; I460-I464 WeakPolarHBondContact O-CG1 3.43Å; I460-I464 PolarHBondContact O-N 3.03Å; I461-I464 PolarHBondContact O-N 3.16Å; A462-I464 PolarHBondContact O-N 2.74Å; I464-F466 VanDerWaalsContact C-N 3.34Å; I464-F466 PolarHBondContact O-N 3.48Å; I464-I467 PolarHBondContact O-N 3.13Å; I464-I468 HydrophobicContact CG2-CD1 3.81Å; I464-I468 HydrophobicContact CG2-CG1 4.44Å; I464-I468 WeakPolarHBondContact O-CG1 3.48Å; I464-I468 PolarHBondContact O-N 3.14Å
465F95.3Very high91.5Very high129 Ų12997.1 Ų97.157%0.56650%0.495SS*.Hα-helixtrans-59.9-42.9176.4-178-96.7000112.2I461 A462 I463 I468 K469I461-F465 WeakPolarHBondContact O-CB 3.42Å; I461-F465 PolarHBondContact O-N 3.27Å; A462-F465 WeakPolarHBondContact O-CB 3.42Å; A462-F465 PolarHBondContact O-N 3.24Å; I463-F465 VanDerWaalsContact C-N 3.31Å; I463-F465 PolarHBondContact O-N 3.25Å; F465-I468 PolarHBondContact O-N 3.24Å; F465-K469 HydrophobicContact CE1-CD 4.28Å; F465-K469 WeakPolarHBondContact O-CB 3.09Å; F465-K469 PolarHBondContact O-N 3.2Å
466F94.4Very high90.5Very high133 Ų13397.5 Ų97.558%0.58350%0.495SS*.Hα-helixtrans-62.8-40.8174.8-83-68.1000112.5A462 I463 I464 K469 T470A462-F466 WeakPolarHBondContact O-CD2 3.42Å; A462-F466 PolarHBondContact O-N 2.65Å; I463-F466 PolarHBondContact O-N 2.93Å; I464-F466 VanDerWaalsContact C-N 3.34Å; I464-F466 PolarHBondContact O-N 3.48Å; F466-K469 PolarHBondContact O-N 2.98Å; F466-T470 WeakPolarHBondContact O-CB 3.33Å; F466-T470 WeakPolarHBondContact O-CG2 3.01Å; F466-T470 PolarHBondContact O-N 3.4Å; F466-T470 PolarHBondContact O-OG1 2.84Å
467I93.1Very high89.2Confident89 Ų89101.3 Ų101.346%0.45650%0.501SS..Hα-helixtrans-63.8-45.6176.7-68.3168.4000110.8I463 I464 T470 N471I463-I467 HydrophobicContact CG2-CD1 3.85Å; I463-I467 HydrophobicContact CG2-CG1 4.44Å; I463-I467 WeakPolarHBondContact O-CG1 3.35Å; I463-I467 PolarHBondContact O-N 3.36Å; I464-I467 PolarHBondContact O-N 3.13Å; I467-T470 WeakPolarHBondContact CA-OG1 3.31Å; I467-T470 PolarHBondContact O-N 3.22Å; I467-T470 PolarHBondContact O-OG1 2.98Å; I467-N471 PolarHBondContact O-N 2.84Å; I467-N471 VanDerWaalsContact O-N 3.11Å; I467-N471 PolarHBondContact O-ND2 3.17Å
468I92.4Very high87.5Confident98 Ų98102 Ų10250%0.50351%0.506SS..Hα-helixtrans-61.9-48.1178.1-66.9168.6000110.2I464 F465 T470 N471 E472I464-I468 HydrophobicContact CG2-CD1 3.81Å; I464-I468 HydrophobicContact CG2-CG1 4.44Å; I464-I468 WeakPolarHBondContact O-CG1 3.48Å; I464-I468 PolarHBondContact O-N 3.14Å; F465-I468 PolarHBondContact O-N 3.24Å; I468-T470 PolarHBondContact O-N 3.31Å; I468-N471 PolarHBondContact O-N 2.83Å; I468-E472 PolarHBondContact O-N 3.49Å; I468-E472 VanDerWaalsContact O-N 3.12Å
469K90.5Very high85.9Confident124 Ų124107.1 Ų107.154%0.53952%0.518SS..Hα-helixtrans-63.5-40.5-179-170.3176.9179.8178.50112.4F465 F466 N471 E472 V473F465-K469 HydrophobicContact CE1-CD 4.28Å; F465-K469 WeakPolarHBondContact O-CB 3.09Å; F465-K469 PolarHBondContact O-N 3.2Å; F466-K469 PolarHBondContact O-N 2.98Å; K469-N471 VanDerWaalsContact C-N 3.31Å; K469-N471 PolarHBondContact O-N 2.64Å; K469-E472 PolarHBondContact O-N 2.86Å; K469-V473 WeakPolarHBondContact O-CG2 3.45Å; K469-V473 PolarHBondContact O-N 2.7Å; K469-V473 VanDerWaalsContact O-N 3.08Å
470T88.1Confident84.1Confident72 Ų72109.3 Ų109.344%0.44253%0.527SS..Hα-helixtrans-66.4-33.4177.546.80000112.4F466 I467 I468 K474F466-T470 WeakPolarHBondContact O-CB 3.33Å; F466-T470 WeakPolarHBondContact O-CG2 3.01Å; F466-T470 PolarHBondContact O-N 3.4Å; F466-T470 PolarHBondContact O-OG1 2.84Å; I467-T470 WeakPolarHBondContact CA-OG1 3.31Å; I467-T470 PolarHBondContact O-N 3.22Å; I467-T470 PolarHBondContact O-OG1 2.98Å; I468-T470 PolarHBondContact O-N 3.31Å; T470-K474 WeakPolarHBondContact O-CG 3.3Å; T470-K474 PolarHBondContact O-N 2.9Å; T470-K474 VanDerWaalsContact O-N 3.1Å
471N84.8Confident82.3Confident81 Ų81108.3 Ų108.343%0.43353%0.527SS..Hα-helixtrans-67.3-40.4173.5-76.3-25.3000112.8I467 I468 K469 K474 K475I467-N471 PolarHBondContact O-N 2.84Å; I467-N471 VanDerWaalsContact O-N 3.11Å; I467-N471 PolarHBondContact O-ND2 3.17Å; I468-N471 PolarHBondContact O-N 2.83Å; K469-N471 VanDerWaalsContact C-N 3.31Å; K469-N471 PolarHBondContact O-N 2.64Å; N471-K474 PolarHBondContact O-N 3.22Å; N471-K475 PolarHBondContact O-N 2.85Å; N471-K475 VanDerWaalsContact O-N 3.09Å
472E82.9Confident80.5Confident90 Ų90108.6 Ų108.642%0.42153%0.533SS..Hα-helixtrans-64.9-41.1175.4-73.4-60.2128.800112.1I468 K469 K474 K475 M476I468-E472 PolarHBondContact O-N 3.49Å; I468-E472 VanDerWaalsContact O-N 3.12Å; K469-E472 PolarHBondContact O-N 2.86Å; E472-K474 VanDerWaalsContact C-N 3.33Å; E472-K474 PolarHBondContact O-N 2.94Å; E472-K475 WeakPolarHBondContact O-CB 3.33Å; E472-K475 PolarHBondContact O-N 2.84Å; E472-K475 IonicContact OE1-NZ 3.28Å; E472-K475 PolarHBondContact OE1-NZ 3.38Å; E472-M476 PolarHBondContact O-N 2.87Å
473V80.1Confident78.6Confident70 Ų70114.3 Ų114.342%0.42455%0.553SS.*Hα-helixtrans-63.3-38.8175.7174.50000111.7K469 M476 R477K469-V473 WeakPolarHBondContact O-CG2 3.45Å; K469-V473 PolarHBondContact O-N 2.7Å; K469-V473 VanDerWaalsContact O-N 3.08Å; V473-M476 PolarHBondContact O-N 2.86Å; V473-R477 PolarHBondContact O-N 2.91Å; V473-R477 VanDerWaalsContact O-N 3.09Å
474K77.5Confident76.7Confident140 Ų140114 Ų11461%0.60956%0.559SS**Hα-helixtrans-62.5-41.5174.4-76.7179.1-179.7179.20111.6T470 N471 E472 M476 R477 L478T470-K474 WeakPolarHBondContact O-CG 3.3Å; T470-K474 PolarHBondContact O-N 2.9Å; T470-K474 VanDerWaalsContact O-N 3.1Å; N471-K474 PolarHBondContact O-N 3.22Å; E472-K474 VanDerWaalsContact C-N 3.33Å; E472-K474 PolarHBondContact O-N 2.94Å; K474-M476 PolarHBondContact O-N 3.48Å; K474-R477 PolarHBondContact O-N 2.67Å; K474-L478 PolarHBondContact O-N 3.32Å; K474-L478 VanDerWaalsContact O-N 3.17Å
475K76.4Confident74.7Confident126 Ų126115.6 Ų115.655%0.54857%0.574SS.*Hα-helixtrans-62.8-39.1175.2-76.6-179.8-176.4167.80112.6N471 E472 R479N471-K475 PolarHBondContact O-N 2.85Å; N471-K475 VanDerWaalsContact O-N 3.09Å; E472-K475 WeakPolarHBondContact O-CB 3.33Å; E472-K475 PolarHBondContact O-N 2.84Å; E472-K475 IonicContact OE1-NZ 3.28Å; E472-K475 PolarHBondContact OE1-NZ 3.38Å; K475-R479 PolarHBondContact O-N 2.72Å
476M74.8Confident72.4Confident124 Ų124121 Ų12161%0.61160%0.601SS**Hα-helixtrans-66.4-43.9177.4-66.4-164.9-14800112.2E472 V473 K474 L478 R479 T480E472-M476 PolarHBondContact O-N 2.87Å; V473-M476 PolarHBondContact O-N 2.86Å; K474-M476 PolarHBondContact O-N 3.48Å; M476-L478 VanDerWaalsContact C-N 3.33Å; M476-L478 PolarHBondContact O-N 2.77Å; M476-R479 PolarHBondContact O-N 2.83Å; M476-T480 PolarHBondContact O-N 2.63Å; M476-T480 VanDerWaalsContact O-N 3.1Å; M476-T480 PolarHBondContact O-OG1 3.38Å
477R68.8Low71.3Confident193 Ų193120.4 Ų120.473%0.72860%0.601SS**Hα-helixtrans-61.7-39.2177.6-79.3-170.1179.2175.40.3113V473 K474 R479 T480 S481V473-R477 PolarHBondContact O-N 2.91Å; V473-R477 VanDerWaalsContact O-N 3.09Å; K474-R477 PolarHBondContact O-N 2.67Å; R477-R479 VanDerWaalsContact C-N 3.32Å; R477-R479 PolarHBondContact O-N 2.6Å; R477-T480 PolarHBondContact O-N 3.48Å; R477-S481 PolarHBondContact O-N 3.45Å; R477-S481 PolarHBondContact O-OG 3.19Å
478L62.4Low70.1Confident115 Ų115122 Ų12260%0.60261%0.609SS**Hα-helixtrans-61.3-40.1175.5-93.1146.8000112K474 M476 S481 T482K474-L478 PolarHBondContact O-N 3.32Å; K474-L478 VanDerWaalsContact O-N 3.17Å; M476-L478 VanDerWaalsContact C-N 3.33Å; M476-L478 PolarHBondContact O-N 2.77Å; L478-S481 WeakPolarHBondContact CA-OG 3.01Å; L478-S481 PolarHBondContact O-N 3.49Å; L478-S481 PolarHBondContact O-OG 2.92Å; L478-T482 PolarHBondContact O-N 3.03Å; L478-T482 PolarHBondContact O-OG1 2.88Å
479R63.3Low68.9Low206 Ų206123.3 Ų123.378%0.77762%0.615SS**Hα-helixtrans-66.3-37.6175.1-77.2-175174.7175.3-1.6112.8K475 M476 R477 T482 Q483K475-R479 PolarHBondContact O-N 2.72Å; M476-R479 PolarHBondContact O-N 2.83Å; R477-R479 VanDerWaalsContact C-N 3.32Å; R477-R479 PolarHBondContact O-N 2.6Å; R479-T482 PolarHBondContact O-N 3.01Å; R479-Q483 PolarHBondContact O-N 2.92Å
480T59.9Low67.6Low95 Ų95123.3 Ų123.358%0.58362%0.619SS**Hα-helixtrans-69.3-36.5178.6-37.50000112.1M476 R477 Q483M476-T480 PolarHBondContact O-N 2.63Å; M476-T480 VanDerWaalsContact O-N 3.1Å; M476-T480 PolarHBondContact O-OG1 3.38Å; R477-T480 PolarHBondContact O-N 3.48Å; T480-Q483 PolarHBondContact O-N 2.7Å
481S59.7Low66.3Low61 Ų61126.5 Ų126.543%0.42763%0.63SS.*Hα-helixtrans-70.1-28.417748.70000113.9R477 L478 Q483 S484 T485R477-S481 PolarHBondContact O-N 3.45Å; R477-S481 PolarHBondContact O-OG 3.19Å; L478-S481 WeakPolarHBondContact CA-OG 3.01Å; L478-S481 PolarHBondContact O-N 3.49Å; L478-S481 PolarHBondContact O-OG 2.92Å; S481-Q483 VanDerWaalsContact C-N 3.29Å; S481-S484 PolarHBondContact O-OG 3.05Å; S481-T485 PolarHBondContact O-OG1 2.96Å
482T57.5Low65.1Low104 Ų104129.5 Ų129.564%0.63864%0.644SS**Hα-helixtrans-73-27.2176.1-37.40000111.6L478 R479 S484L478-T482 PolarHBondContact O-N 3.03Å; L478-T482 PolarHBondContact O-OG1 2.88Å; R479-T482 PolarHBondContact O-N 3.01Å; T482-S484 VanDerWaalsContact C-N 3.32Å
483Q57Low63.8Low162 Ų162132.4 Ų132.476%0.75766%0.66SS**THydrogen-bonded Turntrans-82.3-8.6-178.7-144.3170.112.800113.7R479 T480 S481R479-Q483 PolarHBondContact O-N 2.92Å; T480-Q483 PolarHBondContact O-N 2.7Å; S481-Q483 VanDerWaalsContact C-N 3.29Å
484S56.4Low62.6Low92 Ų92137.2 Ų137.264%0.64368%0.678SS**THydrogen-bonded Turntrans-97.74.7175.955.10000114.2S481 T482S481-S484 PolarHBondContact O-OG 3.05Å; T482-S484 VanDerWaalsContact C-N 3.32Å
485T54.1Low61.3Low124 Ų124136.9 Ų136.976%0.76168%0.683SS**  trans-114.711.2179.2-280000112.8S481S481-T485 PolarHBondContact O-OG1 2.96Å
486E45.7Very low60Low241 Ų241137.9 Ų137.9100%1.12670%0.696SS**  trans-112.60163.1-120.9179.7165.100107.8

Retrieved 486 of 486 residues in 130 ms (Link to these results)

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