A0A096MWC1_PAPAN Loading...

DNA damage inducible 1 homolog 2

AlphaFold DB , UniProt , Accession A0A096MWC1, Species PAPAN (Papio anubis, Olive baboon), Gene DDI2, Length 399 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
1M86.9Confident88Confident26 Ų2652.1 Ų52.113%0.12824%0.242CC..  0132.2054165.9136.900109.8L3 V21 A23 L61 A62 L66 D68M1-L3 HydrophobicContact CG-CG 4.28Å; M1-L3 HydrophobicContact SD-CD1 3.97Å; M1-L3 HydrophobicContact SD-CD2 3.79Å; M1-L3 HydrophobicContact SD-CG 3.99Å; M1-V21 HydrophobicContact CG-CG2 4Å; M1-V21 WeakPolarHBondContact CG-O 3.28Å; M1-V21 PolarHBondContact N-O 3.24Å; M1-V21 PolarHBondContact O-N 3.13Å; M1-V21 VanDerWaalsContact O-O 3.05Å; M1-A23 VanDerWaalsContact CE-CA 3.48Å; M1-A23 HydrophobicContact CE-CB 4.29Å; M1-L61 HydrophobicContact CE-CB 3.6Å; M1-A62 HydrophobicContact CE-CB 4.28Å; M1-L66 HydrophobicContact CE-CB 4.38Å; M1-L66 HydrophobicContact SD-CB 4.17Å; M1-D68 WeakPolarHBondContact CA-OD1 3.49Å; M1-D68 HydrophobicContact CB-CB 4.16Å
2L90.6Very high87Confident73 Ų7359.3 Ų59.338%0.38228%0.283SS..EExtended strand (participates in β ladder)trans-86.9115.5171.5-173.565.2000108.6Q20 D68 G69L2-Q20 VanDerWaalsContact CB-OE1 3.25Å; L2-Q20 HydrophobicContact CD1-CB 4.47Å; L2-Q20 VanDerWaalsContact CD1-OE1 3.29Å; L2-D68 PolarHBondContact N-OD1 3.11Å; L2-G69 WeakPolarHBondContact O-CA 3.44Å; L2-G69 PolarHBondContact O-N 2.89Å
3L90.9Very high86.6Confident0 Ų057.5 Ų57.50%028%0.28CS..EExtended strand (participates in β ladder)trans-110.1136.5177.9-63.6178.9000109.9M1 S18 L19 V21 F30 L61 L66 K67 D70M1-L3 HydrophobicContact CG-CG 4.28Å; M1-L3 HydrophobicContact SD-CD1 3.97Å; M1-L3 HydrophobicContact SD-CD2 3.79Å; M1-L3 HydrophobicContact SD-CG 3.99Å; L3-S18 CarbonylContact O-C 3.44Å; L3-S18 VanDerWaalsContact O-CA 3.29Å; L3-S18 WeakPolarHBondContact O-CA 3.45Å; L3-L19 PolarHBondContact N-O 3.15Å; L3-L19 PolarHBondContact O-N 3.09Å; L3-V21 HydrophobicContact CD1-CG2 3.8Å; L3-V21 HydrophobicContact CG-CG2 4.31Å; L3-F30 HydrophobicContact CD1-CE2 3.87Å; L3-F30 HydrophobicContact CD1-CZ 3.92Å; L3-L61 HydrophobicContact CD1-CD1 3.81Å; L3-L66 HydrophobicContact CD1-CD2 3.69Å; L3-L66 HydrophobicContact CD2-CB 4.39Å; L3-L66 HydrophobicContact CD2-CD2 4.07Å; L3-K67 VanDerWaalsContact CD2-O 3.3Å; L3-K67 WeakPolarHBondContact CD2-O 3.28Å; L3-D70 WeakPolarHBondContact CA-O 3.25Å; L3-D70 HydrophobicContact CD2-CB 3.98Å
4T92.5Very high86.7Confident38 Ų3862 Ų6223%0.23330%0.3CS..EExtended strand (participates in β ladder)trans-97.8122.2173-58.60000109.1T16 D70 V71 V72T4-T16 HydrophobicContact CG2-CG2 3.53Å; T4-D70 PolarHBondContact N-O 3Å; T4-V71 CarbonylContact O-C 3.53Å; T4-V71 VanDerWaalsContact O-CA 3.26Å; T4-V71 WeakPolarHBondContact O-CA 3.48Å; T4-V72 PolarHBondContact O-N 3.49Å
5V93.9Very high86.7Confident0 Ų060.9 Ų60.90%030%0.299CS..EExtended strand (participates in β ladder)trans-100.6115.2178.2-173.60000108.2T16 F17 L19 F30 V72 L74V5-T16 WeakPolarHBondContact O-CA 3.49Å; V5-F17 HydrophobicContact CB-CD1 4.41Å; V5-F17 HydrophobicContact CB-CD2 4.02Å; V5-F17 HydrophobicContact CB-CE1 4.03Å; V5-F17 HydrophobicContact CB-CE2 3.6Å; V5-F17 HydrophobicContact CB-CG 4.41Å; V5-F17 HydrophobicContact CB-CZ 3.62Å; V5-F17 HydrophobicContact CG1-CE1 3.93Å; V5-F17 HydrophobicContact CG1-CE2 4.01Å; V5-F17 HydrophobicContact CG1-CZ 3.52Å; V5-F17 HydrophobicContact CG2-CD2 4.19Å; V5-F17 HydrophobicContact CG2-CE2 3.66Å; V5-F17 HydrophobicContact CG2-CZ 4.08Å; V5-F17 PolarHBondContact N-O 3.26Å; V5-F17 PolarHBondContact O-N 3.16Å; V5-F17 VanDerWaalsContact O-N 3.09Å; V5-L19 HydrophobicContact CG2-CD1 4.06Å; V5-L19 HydrophobicContact CG2-CG 4.35Å; V5-F30 HydrophobicContact CG2-CZ 3.96Å; V5-V72 WeakPolarHBondContact CA-O 3.13Å; V5-V72 HydrophobicContact CB-CG2 4.13Å; V5-V72 HydrophobicContact CG1-CG2 4.16Å; V5-V72 HydrophobicContact CG2-CG2 3.71Å; V5-L74 HydrophobicContact CG1-CB 3.75Å; V5-L74 HydrophobicContact CG1-CD2 4.42Å
6Y93.6Very high87Confident69 Ų6962.4 Ų62.427%0.27131%0.313SS..EExtended strand (participates in β ladder)trans-95.3109.1170.5179.6-105.3000108.8V8 E14 T16 V72 I73 L74Y6-V8 HydrophobicContact CD1-CG2 3.95Å; Y6-V8 HydrophobicContact CE1-CG2 3.45Å; Y6-V8 VanDerWaalsContact CE1-CG2 3.45Å; Y6-E14 HydrophobicContact CE2-CB 4.27Å; Y6-E14 HydrophobicContact CE2-CG 4.41Å; Y6-E14 WeakPolarHBondContact CE2-OE2 3.43Å; Y6-E14 PolarHBondContact OH-OE1 3.05Å; Y6-E14 PolarHBondContact OH-OE2 3.49Å; Y6-T16 WeakPolarHBondContact CD2-OG1 3.21Å; Y6-V72 PolarHBondContact N-O 2.9Å; Y6-I73 HydrophobicContact CD1-CG2 4.42Å; Y6-I73 CarbonylContact O-C 3.41Å; Y6-I73 WeakPolarHBondContact O-CA 3.42Å; Y6-L74 PolarHBondContact O-N 3.41Å
7C90.6Very high87.3Confident0 Ų060.1 Ų60.10%030%0.3CS..EExtended strand (participates in β ladder)trans-100.1130-176.4178.10000111E14 V15 F17 I40 L74C7-E14 WeakPolarHBondContact O-CA 3.32Å; C7-V15 WeakPolarHBondContact CA-O 3.4Å; C7-V15 HydrophobicContact CB-CB 4.38Å; C7-V15 WeakPolarHBondContact CB-O 3.31Å; C7-V15 PolarHBondContact N-O 3.08Å; C7-V15 PolarHBondContact O-N 3.02Å; C7-F17 HydrophobicContact CB-CE1 4.28Å; C7-I40 WeakPolarHBondContact SG-CD1 3.49Å; C7-L74 WeakPolarHBondContact CA-O 3.5Å; C7-L74 HydrophobicContact CB-CB 4.2Å; C7-L74 HydrophobicContact CB-CD2 4.19Å
8V85.3Confident87.5Confident37 Ų3760.8 Ų60.822%0.22431%0.312CS..EExtended strand (participates in β ladder)trans-115.9112.1172.2-174.10000108.3Y6 L74 Q76Y6-V8 HydrophobicContact CD1-CG2 3.95Å; Y6-V8 HydrophobicContact CE1-CG2 3.45Å; Y6-V8 VanDerWaalsContact CE1-CG2 3.45Å; V8-L74 PolarHBondContact N-O 3.37Å; V8-Q76 PolarHBondContact O-N 2.72Å
9R84.1Confident87.7Confident84 Ų8458.3 Ų58.332%0.31730%0.299SS..  trans-83.5170.4176.8-66.9-173.5179.8160.3-0.6111.3D11 L12 S13 S38 I40R9-D11 VanDerWaalsContact C-N 3.3Å; R9-D11 VanDerWaalsContact CB-OD1 3.23Å; R9-D11 WeakPolarHBondContact CB-OD1 3.49Å; R9-D11 PolarHBondContact O-N 3.22Å; R9-L12 PolarHBondContact O-N 3.24Å; R9-L12 VanDerWaalsContact O-N 3.14Å; R9-S13 WeakPolarHBondContact CD-OG 3.33Å; R9-S13 PolarHBondContact N-O 3.1Å; R9-S38 PolarHBondContact NE-O 2.88Å; R9-S38 PolarHBondContact NH2-O 3.22Å; R9-I40 HydrophobicContact CG-CD1 4.11Å; R9-I40 HydrophobicContact CG-CG1 4.42Å
10R79.8Confident87.8Confident130 Ų13062.2 Ų62.249%0.49132%0.316SS..THydrogen-bonded Turntrans-63.5-32.3-179.5-72.4-179-173.2155.911.4114L12 E44 Q76 K77R10-L12 PolarHBondContact O-N 3.18Å; R10-E44 IonicContact CZ-OE2 2.72Å; R10-E44 IonicContact NH1-OE2 3.88Å; R10-E44 VanDerWaalsContact NH2-CD 3.32Å; R10-E44 IonicContact NH2-OE1 3.48Å; R10-E44 IonicContact NH2-OE2 3.4Å; R10-E44 PolarHBondContact NH2-OE2 3.41Å; R10-Q76 HydrophobicContact CG-CB 4.08Å; R10-Q76 HydrophobicContact CG-CG 3.93Å; R10-K77 PolarHBondContact NH2-O 3.49Å
11D79.7Confident87.9Confident116 Ų11659.5 Ų59.562%0.6230%0.302SS*.THydrogen-bonded Turntrans-80.813176.864.7-13.8000112.9R9 S13R9-D11 VanDerWaalsContact C-N 3.3Å; R9-D11 VanDerWaalsContact CB-OD1 3.23Å; R9-D11 WeakPolarHBondContact CB-OD1 3.49Å; R9-D11 PolarHBondContact O-N 3.22Å; D11-S13 VanDerWaalsContact CG-OG 3.25Å; D11-S13 PolarHBondContact O-N 3.07Å; D11-S13 VanDerWaalsContact O-N 3.13Å; D11-S13 VanDerWaalsContact OD1-CB 3.25Å; D11-S13 WeakPolarHBondContact OD1-CB 3.44Å; D11-S13 PolarHBondContact OD1-N 3.25Å; D11-S13 PolarHBondContact OD1-OG 3.47Å; D11-S13 PolarHBondContact OD2-OG 3.5Å
12L75.9Confident87.9Confident139 Ų13963.5 Ų63.573%0.72832%0.324SS*.SBendtrans61.212.4-174-53173.6000113.6R9 R10R9-L12 PolarHBondContact O-N 3.24Å; R9-L12 VanDerWaalsContact O-N 3.14Å; R10-L12 PolarHBondContact O-N 3.18Å
13S82Confident87.4Confident36 Ų3662.6 Ų62.625%0.25233%0.328SS..  trans-71.3136.8171.366.60000110.4R9 D11R9-S13 WeakPolarHBondContact CD-OG 3.33Å; R9-S13 PolarHBondContact N-O 3.1Å; D11-S13 VanDerWaalsContact CG-OG 3.25Å; D11-S13 PolarHBondContact O-N 3.07Å; D11-S13 VanDerWaalsContact O-N 3.13Å; D11-S13 VanDerWaalsContact OD1-CB 3.25Å; D11-S13 WeakPolarHBondContact OD1-CB 3.44Å; D11-S13 PolarHBondContact OD1-N 3.25Å; D11-S13 PolarHBondContact OD1-OG 3.47Å; D11-S13 PolarHBondContact OD2-OG 3.5Å
14E87.3Confident87.2Confident120 Ų12068.4 Ų68.456%0.56136%0.359SS*.EExtended strand (participates in β ladder)trans-108.8132.7-176.5-60.5180-173.200110Y6 C7Y6-E14 HydrophobicContact CE2-CB 4.27Å; Y6-E14 HydrophobicContact CE2-CG 4.41Å; Y6-E14 WeakPolarHBondContact CE2-OE2 3.43Å; Y6-E14 PolarHBondContact OH-OE1 3.05Å; Y6-E14 PolarHBondContact OH-OE2 3.49Å; C7-E14 WeakPolarHBondContact O-CA 3.32Å
15V87.8Confident87Confident46 Ų4669.1 Ų69.128%0.27936%0.359SS..EExtended strand (participates in β ladder)trans-132.1126.9174.8-178.30000108.2C7 F17C7-V15 WeakPolarHBondContact CA-O 3.4Å; C7-V15 HydrophobicContact CB-CB 4.38Å; C7-V15 WeakPolarHBondContact CB-O 3.31Å; C7-V15 PolarHBondContact N-O 3.08Å; C7-V15 PolarHBondContact O-N 3.02Å; V15-F17 HydrophobicContact CG1-CD1 4.21Å
16T91.5Very high86.8Confident85 Ų8572.7 Ų72.752%0.52138%0.375SS..EExtended strand (participates in β ladder)trans-113.8128.6175.6-56.10000109.5T4 V5 Y6T4-T16 HydrophobicContact CG2-CG2 3.53Å; V5-T16 WeakPolarHBondContact O-CA 3.49Å; Y6-T16 WeakPolarHBondContact CD2-OG1 3.21Å
17F91.1Very high86.5Confident23 Ų2369.4 Ų69.410%0.10136%0.363CS..EExtended strand (participates in β ladder)trans-141.2159.8175.657.3-87.9000110.5V5 C7 V15 L19 C34 E37V5-F17 HydrophobicContact CB-CD1 4.41Å; V5-F17 HydrophobicContact CB-CD2 4.02Å; V5-F17 HydrophobicContact CB-CE1 4.03Å; V5-F17 HydrophobicContact CB-CE2 3.6Å; V5-F17 HydrophobicContact CB-CG 4.41Å; V5-F17 HydrophobicContact CB-CZ 3.62Å; V5-F17 HydrophobicContact CG1-CE1 3.93Å; V5-F17 HydrophobicContact CG1-CE2 4.01Å; V5-F17 HydrophobicContact CG1-CZ 3.52Å; V5-F17 HydrophobicContact CG2-CD2 4.19Å; V5-F17 HydrophobicContact CG2-CE2 3.66Å; V5-F17 HydrophobicContact CG2-CZ 4.08Å; V5-F17 PolarHBondContact N-O 3.26Å; V5-F17 PolarHBondContact O-N 3.16Å; V5-F17 VanDerWaalsContact O-N 3.09Å; C7-F17 HydrophobicContact CB-CE1 4.28Å; V15-F17 HydrophobicContact CG1-CD1 4.21Å; F17-L19 HydrophobicContact CD2-CD1 4.44Å; F17-L19 HydrophobicContact CD2-CD2 4.2Å; F17-L19 HydrophobicContact CD2-CG 3.94Å; F17-L19 HydrophobicContact CE2-CD1 3.87Å; F17-L19 HydrophobicContact CE2-CD2 4.29Å; F17-L19 HydrophobicContact CE2-CG 3.89Å; F17-C34 HydrophobicContact CZ-CB 4.46Å; F17-E37 HydrophobicContact CD1-CB 4.12Å; F17-E37 HydrophobicContact CD2-CB 3.56Å; F17-E37 HydrophobicContact CD2-CG 3.86Å; F17-E37 HydrophobicContact CE1-CB 4.05Å; F17-E37 HydrophobicContact CE2-CB 3.46Å; F17-E37 VanDerWaalsContact CE2-CB 3.46Å; F17-E37 HydrophobicContact CE2-CG 3.97Å; F17-E37 HydrophobicContact CG-CB 3.89Å; F17-E37 HydrophobicContact CG-CG 4.48Å; F17-E37 HydrophobicContact CZ-CB 3.71Å
18S92.2Very high86.3Confident72 Ų7274.4 Ų74.450%0.50339%0.386SS..EExtended strand (participates in β ladder)trans-114.3133-179.4-560000110.6L3L3-S18 CarbonylContact O-C 3.44Å; L3-S18 VanDerWaalsContact O-CA 3.29Å; L3-S18 WeakPolarHBondContact O-CA 3.45Å
19L89.7Confident86.3Confident14 Ų1476.2 Ų76.27%0.07339%0.394CS..EExtended strand (participates in β ladder)trans-115.6125.1178.1-68.3179.9000110.1L3 V5 F17 V21 F30 L33 E37L3-L19 PolarHBondContact N-O 3.15Å; L3-L19 PolarHBondContact O-N 3.09Å; V5-L19 HydrophobicContact CG2-CD1 4.06Å; V5-L19 HydrophobicContact CG2-CG 4.35Å; F17-L19 HydrophobicContact CD2-CD1 4.44Å; F17-L19 HydrophobicContact CD2-CD2 4.2Å; F17-L19 HydrophobicContact CD2-CG 3.94Å; F17-L19 HydrophobicContact CE2-CD1 3.87Å; F17-L19 HydrophobicContact CE2-CD2 4.29Å; F17-L19 HydrophobicContact CE2-CG 3.89Å; L19-V21 HydrophobicContact CB-CG1 4.29Å; L19-F30 HydrophobicContact CB-CE2 4.26Å; L19-F30 HydrophobicContact CD1-CD2 4.17Å; L19-F30 HydrophobicContact CD1-CE2 3.61Å; L19-F30 HydrophobicContact CD1-CZ 4.2Å; L19-L33 HydrophobicContact CD1-CB 3.8Å; L19-L33 HydrophobicContact CD2-CB 4.36Å; L19-E37 HydrophobicContact CD2-CG 3.98Å
20Q89.8Confident86.6Confident136 Ų13672.2 Ų72.264%0.63638%0.379SS*.EExtended strand (participates in β ladder)trans-89.7111170.1-171.17115.900108.8L2L2-Q20 VanDerWaalsContact CB-OE1 3.25Å; L2-Q20 HydrophobicContact CD1-CB 4.47Å; L2-Q20 VanDerWaalsContact CD1-OE1 3.29Å
21V90.2Very high87.1Confident5 Ų567.9 Ų67.93%0.0336%0.363CS..  trans-133.3156.1-177.9-61.90000111.6M1 L3 L19 F25 F30 L33 L61M1-V21 HydrophobicContact CG-CG2 4Å; M1-V21 WeakPolarHBondContact CG-O 3.28Å; M1-V21 PolarHBondContact N-O 3.24Å; M1-V21 PolarHBondContact O-N 3.13Å; M1-V21 VanDerWaalsContact O-O 3.05Å; L3-V21 HydrophobicContact CD1-CG2 3.8Å; L3-V21 HydrophobicContact CG-CG2 4.31Å; L19-V21 HydrophobicContact CB-CG1 4.29Å; V21-F25 HydrophobicContact CB-CB 4.26Å; V21-F25 HydrophobicContact CB-CD1 4.09Å; V21-F25 HydrophobicContact CB-CG 4.08Å; V21-F25 HydrophobicContact CG1-CD1 4.1Å; V21-F25 HydrophobicContact CG1-CE1 4.14Å; V21-F30 HydrophobicContact CG1-CD2 4.16Å; V21-F30 HydrophobicContact CG1-CE2 4.4Å; V21-F30 HydrophobicContact CG2-CD2 4.45Å; V21-F30 HydrophobicContact CG2-CE2 4.44Å; V21-L33 HydrophobicContact CG1-CD1 3.77Å; V21-L61 HydrophobicContact CG2-CD1 3.8Å
22D86.6Confident87.4Confident110 Ų11064.9 Ų64.959%0.58835%0.354SS*.  trans-73.7163.1177-66.8-43.3000112.5D24 F25D22-D24 VanDerWaalsContact C-N 3.34Å; D22-D24 VanDerWaalsContact CB-OD1 3.32Å; D22-D24 WeakPolarHBondContact CB-OD1 3.43Å; D22-D24 PolarHBondContact O-N 3.17Å; D22-F25 WeakPolarHBondContact O-CB 3.31Å; D22-F25 PolarHBondContact O-N 3.38Å
23A80.3Confident87.8Confident55 Ų5561 Ų6146%0.45533%0.333SS..THydrogen-bonded Turntrans-69.9-34.7-17400000113.1M1 F25 A62M1-A23 VanDerWaalsContact CE-CA 3.48Å; M1-A23 HydrophobicContact CE-CB 4.29Å; A23-F25 VanDerWaalsContact C-N 3.29Å; A23-A62 HydrophobicContact CB-CB 4.19Å; A23-A62 WeakPolarHBondContact O-CB 3.46Å; A23-A62 PolarHBondContact O-N 3.14Å
24D87.1Confident88.1Confident121 Ų12159.3 Ų59.365%0.64732%0.322SS*.THydrogen-bonded Turntrans-84.31.6178.159.5-24.5000113.5D22 E26 S60D22-D24 VanDerWaalsContact C-N 3.34Å; D22-D24 VanDerWaalsContact CB-OD1 3.32Å; D22-D24 WeakPolarHBondContact CB-OD1 3.43Å; D22-D24 PolarHBondContact O-N 3.17Å; D24-E26 PolarHBondContact O-N 3.36Å; D24-S60 WeakPolarHBondContact O-CB 3.37Å
25F87.9Confident88.1Confident53 Ų5357.5 Ų57.523%0.23231%0.313CS..  trans-57.4128.9-178.9-151.7-108.7000111.5V21 D22 A23 N29 F30 L33 S60 L61V21-F25 HydrophobicContact CB-CB 4.26Å; V21-F25 HydrophobicContact CB-CD1 4.09Å; V21-F25 HydrophobicContact CB-CG 4.08Å; V21-F25 HydrophobicContact CG1-CD1 4.1Å; V21-F25 HydrophobicContact CG1-CE1 4.14Å; D22-F25 WeakPolarHBondContact O-CB 3.31Å; D22-F25 PolarHBondContact O-N 3.38Å; A23-F25 VanDerWaalsContact C-N 3.29Å; F25-N29 HydrophobicContact CD1-CB 4.18Å; F25-N29 HydrophobicContact CE1-CB 3.53Å; F25-N29 HydrophobicContact CE2-CB 4.36Å; F25-N29 HydrophobicContact CZ-CB 3.63Å; F25-F30 HydrophobicContact CD1-CB 4.07Å; F25-F30 HydrophobicContact CE1-CB 4.27Å; F25-L33 HydrophobicContact CE1-CD1 3.7Å; F25-L33 HydrophobicContact CE1-CG 4.49Å; F25-L33 HydrophobicContact CZ-CD1 3.8Å; F25-S60 CarbonylContact O-C 3.52Å; F25-S60 VanDerWaalsContact O-CA 3.32Å; F25-S60 WeakPolarHBondContact O-CA 3.37Å; F25-L61 HydrophobicContact CB-CD1 4.26Å; F25-L61 HydrophobicContact CD1-CD1 4.41Å; F25-L61 WeakPolarHBondContact O-CG 3.48Å; F25-L61 PolarHBondContact O-N 2.99Å
26E90.1Very high87.8Confident76 Ų7661.8 Ų61.836%0.35533%0.334SS..BIsolated β-bridgetrans-76.3147.1-178.6-69.3-174.6-171.900112.2D24 H28 N29 F30 H58D24-E26 PolarHBondContact O-N 3.36Å; E26-H28 VanDerWaalsContact C-N 3.26Å; E26-H28 PolarHBondContact O-N 2.98Å; E26-N29 PolarHBondContact O-N 2.71Å; E26-N29 VanDerWaalsContact O-N 3.16Å; E26-F30 PolarHBondContact O-N 3.13Å; E26-F30 VanDerWaalsContact O-N 3.07Å; E26-H58 IonicContact OE2-ND1 3.94Å
27L88.3Confident87.4Confident0 Ų062.9 Ų62.90%033%0.333CS..Hα-helixtrans-58.6-35.2-179.8-178.967000113N29 F30 R31 I47 L54 D56 N57 R59 L61 Y64L27-N29 PolarHBondContact O-N 2.83Å; L27-F30 HydrophobicContact CD1-CD1 4.46Å; L27-F30 PolarHBondContact O-N 3.4Å; L27-R31 WeakPolarHBondContact O-CG 3.27Å; L27-R31 PolarHBondContact O-N 3.07Å; L27-I47 HydrophobicContact CD1-CD1 4.2Å; L27-L54 HydrophobicContact CD1-CB 3.76Å; L27-L54 HydrophobicContact CD1-CD1 3.86Å; L27-L54 HydrophobicContact CD1-CG 4.48Å; L27-L54 HydrophobicContact CD2-CB 3.56Å; L27-L54 WeakPolarHBondContact CD2-O 3.33Å; L27-L54 HydrophobicContact CG-CB 4.33Å; L27-D56 VanDerWaalsContact CD2-O 3.28Å; L27-D56 WeakPolarHBondContact CD2-O 3.27Å; L27-N57 PolarHBondContact N-O 3.16Å; L27-R59 PolarHBondContact N-O 3.2Å; L27-R59 VanDerWaalsContact N-O 3.11Å; L27-L61 HydrophobicContact CD1-CD2 4.12Å; L27-Y64 HydrophobicContact CB-CE2 4.22Å; L27-Y64 HydrophobicContact CD2-CE2 4.09Å
28H86.6Confident87.2Confident105 Ų10561.8 Ų61.849%0.48633%0.328SS..Hα-helixtrans-58-47.2176.2-179.664.3000112.3E26 F30 R31 A32 N57E26-H28 VanDerWaalsContact C-N 3.26Å; E26-H28 PolarHBondContact O-N 2.98Å; H28-F30 VanDerWaalsContact C-N 3.35Å; H28-R31 WeakPolarHBondContact O-CB 3.44Å; H28-R31 PolarHBondContact O-N 2.98Å; H28-A32 PolarHBondContact O-N 3.39Å; H28-N57 HydrophobicContact CB-CB 4.16Å; H28-N57 PolarHBondContact N-O 3.44Å
29N85.4Confident86.7Confident74 Ų7461.3 Ų61.340%0.39634%0.335SS..Hα-helixtrans-70.4-35.9-179.8-63.7-25.7000111F25 E26 L27 R31 A32 L33F25-N29 HydrophobicContact CD1-CB 4.18Å; F25-N29 HydrophobicContact CE1-CB 3.53Å; F25-N29 HydrophobicContact CE2-CB 4.36Å; F25-N29 HydrophobicContact CZ-CB 3.63Å; E26-N29 PolarHBondContact O-N 2.71Å; E26-N29 VanDerWaalsContact O-N 3.16Å; L27-N29 PolarHBondContact O-N 2.83Å; N29-R31 VanDerWaalsContact C-N 3.34Å; N29-R31 PolarHBondContact O-N 3.4Å; N29-A32 PolarHBondContact O-N 2.95Å; N29-L33 PolarHBondContact O-N 3.34Å
30F89.7Confident86.4Confident0 Ų060.8 Ų60.80%033%0.332CS..Hα-helixtrans-63.5-38.8174.9-170.8-114.8000112.3L3 V5 L19 V21 F25 E26 L27 H28 A32 L33 C34 I47 L61 V72L3-F30 HydrophobicContact CD1-CE2 3.87Å; L3-F30 HydrophobicContact CD1-CZ 3.92Å; V5-F30 HydrophobicContact CG2-CZ 3.96Å; L19-F30 HydrophobicContact CB-CE2 4.26Å; L19-F30 HydrophobicContact CD1-CD2 4.17Å; L19-F30 HydrophobicContact CD1-CE2 3.61Å; L19-F30 HydrophobicContact CD1-CZ 4.2Å; V21-F30 HydrophobicContact CG1-CD2 4.16Å; V21-F30 HydrophobicContact CG1-CE2 4.4Å; V21-F30 HydrophobicContact CG2-CD2 4.45Å; V21-F30 HydrophobicContact CG2-CE2 4.44Å; F25-F30 HydrophobicContact CD1-CB 4.07Å; F25-F30 HydrophobicContact CE1-CB 4.27Å; E26-F30 PolarHBondContact O-N 3.13Å; E26-F30 VanDerWaalsContact O-N 3.07Å; L27-F30 HydrophobicContact CD1-CD1 4.46Å; L27-F30 PolarHBondContact O-N 3.4Å; H28-F30 VanDerWaalsContact C-N 3.35Å; F30-A32 VanDerWaalsContact C-N 3.33Å; F30-A32 PolarHBondContact O-N 3.45Å; F30-L33 PolarHBondContact O-N 2.97Å; F30-C34 PolarHBondContact O-N 2.95Å; F30-C34 PolarHBondContact O-SG 2.92Å; F30-C34 VanDerWaalsContact O-SG 3.39Å; F30-I47 HydrophobicContact CD1-CD1 3.65Å; F30-I47 HydrophobicContact CE1-CD1 3.96Å; F30-I47 HydrophobicContact CE1-CG2 4.31Å; F30-L61 HydrophobicContact CB-CD1 4.04Å; F30-L61 HydrophobicContact CB-CD2 4.19Å; F30-L61 HydrophobicContact CB-CG 4.47Å; F30-L61 HydrophobicContact CD1-CD1 4.27Å; F30-L61 HydrophobicContact CD1-CD2 3.92Å; F30-L61 HydrophobicContact CD2-CD1 3.66Å; F30-L61 HydrophobicContact CE2-CD1 4.16Å; F30-L61 HydrophobicContact CG-CD1 3.73Å; F30-L61 HydrophobicContact CG-CD2 4.05Å; F30-L61 HydrophobicContact CG-CG 4.44Å; F30-V72 HydrophobicContact CE1-CG2 4.07Å; F30-V72 HydrophobicContact CZ-CG2 4.01Å
31R89.1Confident86.2Confident40 Ų4056.7 Ų56.715%0.15132%0.317CS..Hα-helixtrans-60.8-40.5173.7-74.5170.8178.5-123.65.3112.3L27 H28 N29 C34 E35 A42 I47 L54 N57L27-R31 WeakPolarHBondContact O-CG 3.27Å; L27-R31 PolarHBondContact O-N 3.07Å; H28-R31 WeakPolarHBondContact O-CB 3.44Å; H28-R31 PolarHBondContact O-N 2.98Å; N29-R31 VanDerWaalsContact C-N 3.34Å; N29-R31 PolarHBondContact O-N 3.4Å; R31-C34 PolarHBondContact O-N 3.46Å; R31-E35 WeakPolarHBondContact O-CB 3.49Å; R31-E35 PolarHBondContact O-N 3.45Å; R31-A42 HydrophobicContact CB-CB 4.41Å; R31-I47 HydrophobicContact CB-CD1 4.47Å; R31-I47 HydrophobicContact CG-CD1 3.59Å; R31-I47 HydrophobicContact CG-CG1 4.45Å; R31-L54 PolarHBondContact NH2-O 2.93Å; R31-N57 PolarHBondContact NE-OD1 2.92Å
32A85.9Confident85.6Confident52 Ų5257.7 Ų57.743%0.4333%0.326SS..Hα-helixtrans-64.7-38.8177.600000112.4H28 N29 F30 E35 L36H28-A32 PolarHBondContact O-N 3.39Å; N29-A32 PolarHBondContact O-N 2.95Å; F30-A32 VanDerWaalsContact C-N 3.33Å; F30-A32 PolarHBondContact O-N 3.45Å; A32-E35 PolarHBondContact O-N 3.21Å; A32-L36 PolarHBondContact O-N 3.39Å; A32-L36 VanDerWaalsContact O-N 3.09Å
33L86.2Confident85.2Confident58 Ų5856 Ų5630%0.30433%0.327SS..Hα-helixtrans-65.6-43173.5-66.8178.7000111.7L19 V21 F25 N29 F30 E35 L36 E37L19-L33 HydrophobicContact CD1-CB 3.8Å; L19-L33 HydrophobicContact CD2-CB 4.36Å; V21-L33 HydrophobicContact CG1-CD1 3.77Å; F25-L33 HydrophobicContact CE1-CD1 3.7Å; F25-L33 HydrophobicContact CE1-CG 4.49Å; F25-L33 HydrophobicContact CZ-CD1 3.8Å; N29-L33 PolarHBondContact O-N 3.34Å; F30-L33 PolarHBondContact O-N 2.97Å; L33-E35 VanDerWaalsContact C-N 3.33Å; L33-E35 PolarHBondContact O-N 3.47Å; L33-L36 PolarHBondContact O-N 2.69Å; L33-E37 PolarHBondContact O-N 2.92Å; L33-E37 VanDerWaalsContact O-N 3.13Å
34C87.8Confident85.5Confident1 Ų155.9 Ų55.91%0.00732%0.317CS..Hα-helixtrans-61.9-39.2174.6-72.90000112.2F17 F30 R31 S38 L74F17-C34 HydrophobicContact CZ-CB 4.46Å; F30-C34 PolarHBondContact O-N 2.95Å; F30-C34 PolarHBondContact O-SG 2.92Å; F30-C34 VanDerWaalsContact O-SG 3.39Å; R31-C34 PolarHBondContact O-N 3.46Å; C34-S38 WeakPolarHBondContact O-CB 3.37Å; C34-S38 PolarHBondContact O-N 3.36Å; C34-S38 PolarHBondContact O-OG 3.05Å; C34-L74 HydrophobicContact CB-CD1 4.07Å; C34-L74 HydrophobicContact CB-CD2 4.01Å
35E87.3Confident85.3Confident81 Ų8150.6 Ų50.638%0.37929%0.29SS..Hα-helixtrans-61.8-43.6175170.9168.3-174.100111.6R31 A32 L33 G39 I40 A42R31-E35 WeakPolarHBondContact O-CB 3.49Å; R31-E35 PolarHBondContact O-N 3.45Å; A32-E35 PolarHBondContact O-N 3.21Å; L33-E35 VanDerWaalsContact C-N 3.33Å; L33-E35 PolarHBondContact O-N 3.47Å; E35-G39 VanDerWaalsContact O-CA 3.28Å; E35-G39 WeakPolarHBondContact O-CA 3.4Å; E35-G39 PolarHBondContact O-N 3.37Å; E35-I40 WeakPolarHBondContact CA-O 3.28Å; E35-I40 WeakPolarHBondContact CB-O 3.29Å; E35-I40 WeakPolarHBondContact CG-O 3.35Å; E35-A42 WeakPolarHBondContact OE2-CB 3.33Å; E35-A42 PolarHBondContact OE2-N 2.86Å
36L80.8Confident85.5Confident136 Ų13649.8 Ų49.871%0.71229%0.287SS*.Hα-helixtrans-62.7-44.7179.4-176.164.5000112.7A32 L33A32-L36 PolarHBondContact O-N 3.39Å; A32-L36 VanDerWaalsContact O-N 3.09Å; L33-L36 PolarHBondContact O-N 2.69Å
37E84.1Confident85.5Confident108 Ų10846.2 Ų46.251%0.50527%0.27SS..Hα-helixtrans-80.7-36.7-177.7-66.4-62.8158.300112.9F17 L19 L33F17-E37 HydrophobicContact CD1-CB 4.12Å; F17-E37 HydrophobicContact CD2-CB 3.56Å; F17-E37 HydrophobicContact CD2-CG 3.86Å; F17-E37 HydrophobicContact CE1-CB 4.05Å; F17-E37 HydrophobicContact CE2-CB 3.46Å; F17-E37 VanDerWaalsContact CE2-CB 3.46Å; F17-E37 HydrophobicContact CE2-CG 3.97Å; F17-E37 HydrophobicContact CG-CB 3.89Å; F17-E37 HydrophobicContact CG-CG 4.48Å; F17-E37 HydrophobicContact CZ-CB 3.71Å; L19-E37 HydrophobicContact CD2-CG 3.98Å; L33-E37 PolarHBondContact O-N 2.92Å; L33-E37 VanDerWaalsContact O-N 3.13Å
38S85.4Confident85.6Confident1 Ų147.3 Ų47.31%0.00728%0.276CS..Hα-helixtrans-89.1-21-177.2720000114.1R9 C34 I40 L74R9-S38 PolarHBondContact NE-O 2.88Å; R9-S38 PolarHBondContact NH2-O 3.22Å; C34-S38 WeakPolarHBondContact O-CB 3.37Å; C34-S38 PolarHBondContact O-N 3.36Å; C34-S38 PolarHBondContact O-OG 3.05Å; S38-I40 PolarHBondContact O-N 3.16Å; S38-I40 PolarHBondContact OG-N 3.46Å; S38-L74 WeakPolarHBondContact OG-CD2 3.39Å
39G82.6Confident85.8Confident62 Ų6244.3 Ų44.364%0.63926%0.261SS*.  trans70.98.3-171.300000114.8E35E35-G39 VanDerWaalsContact O-CA 3.28Å; E35-G39 WeakPolarHBondContact O-CA 3.4Å; E35-G39 PolarHBondContact O-N 3.37Å
40I84.1Confident85.8Confident3 Ų344.1 Ų44.12%0.01527%0.27CS..  trans-90.7124.5176.9-60.6165.7000109.5C7 R9 E35 S38 A42 E44 L74 Q76C7-I40 WeakPolarHBondContact SG-CD1 3.49Å; R9-I40 HydrophobicContact CG-CD1 4.11Å; R9-I40 HydrophobicContact CG-CG1 4.42Å; E35-I40 WeakPolarHBondContact CA-O 3.28Å; E35-I40 WeakPolarHBondContact CB-O 3.29Å; E35-I40 WeakPolarHBondContact CG-O 3.35Å; S38-I40 PolarHBondContact O-N 3.16Å; S38-I40 PolarHBondContact OG-N 3.46Å; I40-A42 PolarHBondContact O-N 3.28Å; I40-E44 HydrophobicContact CG2-CB 4.24Å; I40-L74 HydrophobicContact CD1-CD2 4.17Å; I40-Q76 HydrophobicContact CD1-CB 4Å; I40-Q76 HydrophobicContact CG1-CB 4.43Å; I40-Q76 HydrophobicContact CG2-CB 4.09Å; I40-Q76 HydrophobicContact CG2-CG 3.71Å
41P84.3Confident85.4Confident49 Ų4953.1 Ų53.132%0.31831%0.312SS..  trans-55.9136.7175.9-24.733.7000112.2A43 E44 S45P41-A43 PolarHBondContact O-N 3.43Å; P41-E44 HydrophobicContact CB-CG 4.35Å; P41-E44 CarbonylContact O-C 3.52Å; P41-E44 WeakPolarHBondContact O-CA 3.45Å; P41-E44 PolarHBondContact O-N 2.96Å; P41-S45 PolarHBondContact O-N 3.17Å
42A78.8Confident85.3Confident27 Ų2760.3 Ų60.322%0.22334%0.339CS..G310 helixtrans-56.1-31.8-17700000113.6R31 E35 I40 E44 S45R31-A42 HydrophobicContact CB-CB 4.41Å; E35-A42 WeakPolarHBondContact OE2-CB 3.33Å; E35-A42 PolarHBondContact OE2-N 2.86Å; I40-A42 PolarHBondContact O-N 3.28Å; A42-E44 VanDerWaalsContact C-N 3.27Å; A42-E44 PolarHBondContact O-N 3.45Å; A42-S45 WeakPolarHBondContact CA-OG 3.44Å; A42-S45 PolarHBondContact O-N 3.42Å; A42-S45 PolarHBondContact O-OG 3.44Å
43A78.2Confident85.3Confident74 Ų7460.6 Ų60.661%0.61234%0.337SS*.G310 helixtrans-66.4-27.2175.900000113.4P41P41-A43 PolarHBondContact O-N 3.43Å
44E85.2Confident85.4Confident53 Ų5358 Ų5825%0.24832%0.323CS..G310 helixtrans-97.95.7176.8-59-174.5-171.200111.6R10 I40 P41 A42 Q76 K77R10-E44 IonicContact CZ-OE2 2.72Å; R10-E44 IonicContact NH1-OE2 3.88Å; R10-E44 VanDerWaalsContact NH2-CD 3.32Å; R10-E44 IonicContact NH2-OE1 3.48Å; R10-E44 IonicContact NH2-OE2 3.4Å; R10-E44 PolarHBondContact NH2-OE2 3.41Å; I40-E44 HydrophobicContact CG2-CB 4.24Å; P41-E44 HydrophobicContact CB-CG 4.35Å; P41-E44 CarbonylContact O-C 3.52Å; P41-E44 WeakPolarHBondContact O-CA 3.45Å; P41-E44 PolarHBondContact O-N 2.96Å; A42-E44 VanDerWaalsContact C-N 3.27Å; A42-E44 PolarHBondContact O-N 3.45Å; E44-Q76 HydrophobicContact CB-CG 4.19Å; E44-Q76 CarbonylContact O-C 3.54Å; E44-Q76 VanDerWaalsContact O-CA 3.23Å; E44-Q76 WeakPolarHBondContact O-CA 3.36Å; E44-Q76 PolarHBondContact OE2-NE2 3.22Å; E44-K77 PolarHBondContact O-N 3.47Å
45S84.6Confident85.3Confident9 Ų962.9 Ų62.96%0.06335%0.353CS..EExtended strand (participates in β ladder)trans-106.7135.6-175.178.20000112.2P41 A42P41-S45 PolarHBondContact O-N 3.17Å; A42-S45 WeakPolarHBondContact CA-OG 3.44Å; A42-S45 PolarHBondContact O-N 3.42Å; A42-S45 PolarHBondContact O-OG 3.44Å
46Q90.3Very high85.3Confident37 Ų3762.9 Ų62.917%0.17336%0.355CS..EExtended strand (participates in β ladder)trans-120.3121.3167.1-177.5-177.843.300109.7V48 P53 R75 K77Q46-V48 HydrophobicContact CG-CG2 4.04Å; Q46-P53 HydrophobicContact CG-CB 4.14Å; Q46-R75 PolarHBondContact N-O 2.78Å; Q46-R75 PolarHBondContact O-N 2.93Å; Q46-K77 HydrophobicContact CB-CD 3.95Å; Q46-K77 HydrophobicContact CB-CG 4.11Å
47I90.8Very high85.5Confident0 Ų059.1 Ų59.10%034%0.336CS..EExtended strand (participates in β ladder)trans-92.7129.4173.2-57.3178000108.6L27 F30 R31 P53 L54 V72 I73 L74L27-I47 HydrophobicContact CD1-CD1 4.2Å; F30-I47 HydrophobicContact CD1-CD1 3.65Å; F30-I47 HydrophobicContact CE1-CD1 3.96Å; F30-I47 HydrophobicContact CE1-CG2 4.31Å; R31-I47 HydrophobicContact CB-CD1 4.47Å; R31-I47 HydrophobicContact CG-CD1 3.59Å; R31-I47 HydrophobicContact CG-CG1 4.45Å; I47-P53 WeakPolarHBondContact O-CA 3.26Å; I47-L54 HydrophobicContact CG2-CD1 3.85Å; I47-L54 HydrophobicContact CG2-CG 4.3Å; I47-L54 PolarHBondContact O-N 2.99Å; I47-V72 HydrophobicContact CG2-CB 4.29Å; I47-I73 CarbonylContact C-O 3.55Å; I47-I73 WeakPolarHBondContact CA-O 3.31Å; I47-L74 HydrophobicContact CD1-CD1 4.23Å; I47-L74 HydrophobicContact CG1-CD1 3.52Å
48V91.4Very high85.7Confident23 Ų2360.7 Ų60.714%0.13934%0.343CS..EExtended strand (participates in β ladder)trans-124.4131.9-179.8-176.90000109Q46 R52 P53 I73Q46-V48 HydrophobicContact CG-CG2 4.04Å; V48-R52 WeakPolarHBondContact CA-O 3.17Å; V48-P53 HydrophobicContact CG2-CB 4.49Å; V48-I73 HydrophobicContact CB-CB 4.35Å; V48-I73 PolarHBondContact N-O 3.45Å; V48-I73 PolarHBondContact O-N 3.14Å
49Y90.5Very high85.8Confident42 Ų4265.8 Ų65.817%0.16536%0.362CS..EExtended strand (participates in β ladder)trans-136.9134.1174.9172.9-106.3000109E51 R52 G65 L66 D70 V72Y49-E51 VanDerWaalsContact C-N 3.28Å; Y49-E51 PolarHBondContact O-N 3.35Å; Y49-R52 PolarHBondContact N-O 3.05Å; Y49-R52 PolarHBondContact O-N 3.05Å; Y49-R52 VanDerWaalsContact O-O 3.13Å; Y49-G65 PolarHBondContact OH-O 3.42Å; Y49-L66 HydrophobicContact CD1-CD1 3.76Å; Y49-L66 HydrophobicContact CD1-CG 3.91Å; Y49-L66 HydrophobicContact CD2-CD2 4.47Å; Y49-L66 HydrophobicContact CD2-CG 4.07Å; Y49-L66 HydrophobicContact CE1-CD1 4.17Å; Y49-L66 HydrophobicContact CE1-CG 4.03Å; Y49-L66 HydrophobicContact CE2-CG 4.17Å; Y49-L66 HydrophobicContact CG-CD1 4.03Å; Y49-L66 HydrophobicContact CG-CD2 4.49Å; Y49-L66 HydrophobicContact CG-CG 3.93Å; Y49-D70 HydrophobicContact CE2-CB 3.82Å; Y49-D70 WeakPolarHBondContact CE2-OD2 3.37Å; Y49-D70 VanDerWaalsContact CZ-OD2 3.31Å; Y49-D70 PolarHBondContact OH-OD2 3.45Å; Y49-V72 HydrophobicContact CD2-CG1 3.98Å; Y49-V72 HydrophobicContact CG-CG1 4.41Å
50A85.3Confident86.2Confident70 Ų7064.4 Ų64.458%0.57934%0.343SS*.THydrogen-bonded Turntrans47.649.1-174.900000112.8R52A50-R52 PolarHBondContact O-N 3.28Å
51E81.5Confident86.4Confident189 Ų18964.2 Ų64.288%0.88334%0.342SS*.THydrogen-bonded Turntrans62.85.6-178.4-54.7178.7167.800115.5Y49Y49-E51 VanDerWaalsContact C-N 3.28Å; Y49-E51 PolarHBondContact O-N 3.35Å
52R85.6Confident86.6Confident191 Ų19164 Ų6472%0.72134%0.344SS*.EExtended strand (participates in β ladder)trans-111.3128.6-178.3-66.5179.5-177-172.60.5111.1V48 Y49 A50 L54V48-R52 WeakPolarHBondContact CA-O 3.17Å; Y49-R52 PolarHBondContact N-O 3.05Å; Y49-R52 PolarHBondContact O-N 3.05Å; Y49-R52 VanDerWaalsContact O-O 3.13Å; A50-R52 PolarHBondContact O-N 3.28Å; R52-L54 PolarHBondContact O-N 2.79Å
53P87.5Confident87Confident58 Ų5865.1 Ų65.138%0.37735%0.35SS..EExtended strand (participates in β ladder)trans-70.5132.7173.730.2-34000110.5Q46 I47 V48 T55Q46-P53 HydrophobicContact CG-CB 4.14Å; I47-P53 WeakPolarHBondContact O-CA 3.26Å; V48-P53 HydrophobicContact CG2-CB 4.49Å; P53-T55 HydrophobicContact CB-CG2 4.37Å; P53-T55 HydrophobicContact CG-CG2 4.49Å; P53-T55 PolarHBondContact O-N 3.48Å
54L88.4Confident87.4Confident5 Ų563.4 Ų63.43%0.02633%0.328CS..  trans-82.9112175.5-49.3-172.5000108.3L27 R31 I47 R52 Y64 L66L27-L54 HydrophobicContact CD1-CB 3.76Å; L27-L54 HydrophobicContact CD1-CD1 3.86Å; L27-L54 HydrophobicContact CD1-CG 4.48Å; L27-L54 HydrophobicContact CD2-CB 3.56Å; L27-L54 WeakPolarHBondContact CD2-O 3.33Å; L27-L54 HydrophobicContact CG-CB 4.33Å; R31-L54 PolarHBondContact NH2-O 2.93Å; I47-L54 HydrophobicContact CG2-CD1 3.85Å; I47-L54 HydrophobicContact CG2-CG 4.3Å; I47-L54 PolarHBondContact O-N 2.99Å; R52-L54 PolarHBondContact O-N 2.79Å; L54-Y64 HydrophobicContact CB-CE1 4.32Å; L54-Y64 HydrophobicContact CB-CE2 4.45Å; L54-Y64 HydrophobicContact CD2-CD1 3.5Å; L54-Y64 HydrophobicContact CD2-CD2 4.39Å; L54-Y64 HydrophobicContact CD2-CE1 3.89Å; L54-Y64 HydrophobicContact CD2-CG 3.75Å; L54-L66 HydrophobicContact CD1-CD1 4.12Å
55T84.9Confident87.4Confident103 Ų10362.4 Ų62.463%0.63233%0.333SS*.  trans-115.4-34.5-168.551.10000114.6P53 N57 Y64P53-T55 HydrophobicContact CB-CG2 4.37Å; P53-T55 HydrophobicContact CG-CG2 4.49Å; P53-T55 PolarHBondContact O-N 3.48Å; T55-N57 PolarHBondContact O-N 2.97Å; T55-Y64 PolarHBondContact N-OH 3.06Å
56D87.3Confident87.7Confident80 Ų8062.2 Ų62.243%0.42833%0.331SS..  trans-79.9110.7176.6-179.40.1000110.3L27 H58 R59 Y64L27-D56 VanDerWaalsContact CD2-O 3.28Å; L27-D56 WeakPolarHBondContact CD2-O 3.27Å; D56-H58 VanDerWaalsContact C-N 3.33Å; D56-H58 PolarHBondContact O-N 3.22Å; D56-H58 PolarHBondContact OD1-N 3.4Å; D56-H58 VanDerWaalsContact OD1-N 3.14Å; D56-R59 HydrophobicContact CB-CB 4.04Å; D56-R59 PolarHBondContact O-N 3Å; D56-Y64 VanDerWaalsContact CA-OH 3.23Å; D56-Y64 WeakPolarHBondContact CA-OH 3.41Å; D56-Y64 VanDerWaalsContact CB-OH 3.24Å; D56-Y64 WeakPolarHBondContact CB-OH 3.48Å; D56-Y64 PolarHBondContact N-OH 3.39Å; D56-Y64 PolarHBondContact O-OH 3.42Å
57N85.9Confident87.7Confident57 Ų5767.5 Ų67.531%0.30535%0.353SS..THydrogen-bonded Turntrans-71.2-23.6-173.5-78.7-27.1000114L27 H28 R31 T55L27-N57 PolarHBondContact N-O 3.16Å; H28-N57 HydrophobicContact CB-CB 4.16Å; H28-N57 PolarHBondContact N-O 3.44Å; R31-N57 PolarHBondContact NE-OD1 2.92Å; T55-N57 PolarHBondContact O-N 2.97Å
58H86.8Confident87.7Confident142 Ų14272.9 Ų72.966%0.65738%0.382SS*.THydrogen-bonded Turntrans-94.8-2-177.9-63.8-62.6000112.9E26 D56E26-H58 IonicContact OE2-ND1 3.94Å; D56-H58 VanDerWaalsContact C-N 3.33Å; D56-H58 PolarHBondContact O-N 3.22Å; D56-H58 PolarHBondContact OD1-N 3.4Å; D56-H58 VanDerWaalsContact OD1-N 3.14Å
59R87.4Confident87.4Confident107 Ų10774.1 Ų74.140%0.40440%0.399SS..SBendtrans-85.4136.1179.2-176.7170.4-179.2-1745.5110.2L27 D56 S63 Y64L27-R59 PolarHBondContact N-O 3.2Å; L27-R59 VanDerWaalsContact N-O 3.11Å; D56-R59 HydrophobicContact CB-CB 4.04Å; D56-R59 PolarHBondContact O-N 3Å; R59-S63 WeakPolarHBondContact CG-OG 3.48Å; R59-S63 PolarHBondContact NE-OG 3.04Å; R59-S63 PolarHBondContact NH2-O 2.67Å; R59-Y64 HydrophobicContact CB-CD2 4.33Å; R59-Y64 HydrophobicContact CB-CE2 3.55Å; R59-Y64 HydrophobicContact CG-CD2 3.9Å; R59-Y64 HydrophobicContact CG-CE1 4.49Å; R59-Y64 HydrophobicContact CG-CE2 3.56Å
60S91Very high87.4Confident33 Ų3374 Ų7423%0.23140%0.402CS..BIsolated β-bridgetrans-72.4149.3179.666.20000112.4D24 F25 A62 S63 Y64D24-S60 WeakPolarHBondContact O-CB 3.37Å; F25-S60 CarbonylContact O-C 3.52Å; F25-S60 VanDerWaalsContact O-CA 3.32Å; F25-S60 WeakPolarHBondContact O-CA 3.37Å; S60-A62 PolarHBondContact O-N 3.09Å; S60-S63 PolarHBondContact O-N 3.32Å; S60-S63 PolarHBondContact O-OG 2.62Å; S60-S63 WeakPolarHBondContact OG-CB 3.34Å; S60-S63 PolarHBondContact OG-N 3.46Å; S60-S63 PolarHBondContact OG-OG 2.95Å; S60-Y64 WeakPolarHBondContact O-CD2 3.32Å; S60-Y64 PolarHBondContact O-N 2.74Å
61L89.3Confident87.7Confident0 Ų074.6 Ų74.60%040%0.398CS..THydrogen-bonded Turntrans-59-42.3179.9-65.5177.6000112.3M1 L3 V21 F25 L27 F30 S63 Y64 G65 L66M1-L61 HydrophobicContact CE-CB 3.6Å; L3-L61 HydrophobicContact CD1-CD1 3.81Å; V21-L61 HydrophobicContact CG2-CD1 3.8Å; F25-L61 HydrophobicContact CB-CD1 4.26Å; F25-L61 HydrophobicContact CD1-CD1 4.41Å; F25-L61 WeakPolarHBondContact O-CG 3.48Å; F25-L61 PolarHBondContact O-N 2.99Å; L27-L61 HydrophobicContact CD1-CD2 4.12Å; F30-L61 HydrophobicContact CB-CD1 4.04Å; F30-L61 HydrophobicContact CB-CD2 4.19Å; F30-L61 HydrophobicContact CB-CG 4.47Å; F30-L61 HydrophobicContact CD1-CD1 4.27Å; F30-L61 HydrophobicContact CD1-CD2 3.92Å; F30-L61 HydrophobicContact CD2-CD1 3.66Å; F30-L61 HydrophobicContact CE2-CD1 4.16Å; F30-L61 HydrophobicContact CG-CD1 3.73Å; F30-L61 HydrophobicContact CG-CD2 4.05Å; F30-L61 HydrophobicContact CG-CG 4.44Å; L61-S63 VanDerWaalsContact C-N 3.26Å; L61-S63 PolarHBondContact O-N 3.45Å; L61-Y64 WeakPolarHBondContact O-CB 3.41Å; L61-Y64 PolarHBondContact O-N 2.67Å; L61-Y64 VanDerWaalsContact O-N 3.08Å; L61-G65 PolarHBondContact O-N 3.34Å; L61-L66 HydrophobicContact CB-CB 4.39Å; L61-L66 HydrophobicContact CB-CD1 4.4Å; L61-L66 HydrophobicContact CB-CD2 4.5Å; L61-L66 HydrophobicContact CD2-CD1 4.49Å; L61-L66 HydrophobicContact CD2-CD2 4.36Å; L61-L66 WeakPolarHBondContact O-CB 3.28Å; L61-L66 WeakPolarHBondContact O-CD1 3.23Å; L61-L66 PolarHBondContact O-N 3.04Å
62A87.3Confident88.2Confident44 Ų4465.6 Ų65.636%0.36436%0.356SS..G310 helixtrans-62.2-33.3176.200000112.7M1 A23 S60 Y64 G65M1-A62 HydrophobicContact CE-CB 4.28Å; A23-A62 HydrophobicContact CB-CB 4.19Å; A23-A62 WeakPolarHBondContact O-CB 3.46Å; A23-A62 PolarHBondContact O-N 3.14Å; S60-A62 PolarHBondContact O-N 3.09Å; A62-Y64 VanDerWaalsContact C-N 3.26Å; A62-Y64 PolarHBondContact O-N 3.27Å; A62-G65 WeakPolarHBondContact O-CA 3.44Å; A62-G65 PolarHBondContact O-N 2.94Å
63S87.8Confident88.5Confident50 Ų5059.9 Ų59.935%0.3534%0.339SS..G310 helixtrans-73.2-20.4177.878.70000113R59 S60 L61R59-S63 WeakPolarHBondContact CG-OG 3.48Å; R59-S63 PolarHBondContact NE-OG 3.04Å; R59-S63 PolarHBondContact NH2-O 2.67Å; S60-S63 PolarHBondContact O-N 3.32Å; S60-S63 PolarHBondContact O-OG 2.62Å; S60-S63 WeakPolarHBondContact OG-CB 3.34Å; S60-S63 PolarHBondContact OG-N 3.46Å; S60-S63 PolarHBondContact OG-OG 2.95Å; L61-S63 VanDerWaalsContact C-N 3.26Å; L61-S63 PolarHBondContact O-N 3.45Å
64Y86.1Confident88.7Confident38 Ų3857.1 Ų57.115%0.14932%0.321CS..G310 helixtrans-76.8-5.9165.7-77.2-70.4000113L27 L54 T55 D56 R59 S60 L61 A62 L66L27-Y64 HydrophobicContact CB-CE2 4.22Å; L27-Y64 HydrophobicContact CD2-CE2 4.09Å; L54-Y64 HydrophobicContact CB-CE1 4.32Å; L54-Y64 HydrophobicContact CB-CE2 4.45Å; L54-Y64 HydrophobicContact CD2-CD1 3.5Å; L54-Y64 HydrophobicContact CD2-CD2 4.39Å; L54-Y64 HydrophobicContact CD2-CE1 3.89Å; L54-Y64 HydrophobicContact CD2-CG 3.75Å; T55-Y64 PolarHBondContact N-OH 3.06Å; D56-Y64 VanDerWaalsContact CA-OH 3.23Å; D56-Y64 WeakPolarHBondContact CA-OH 3.41Å; D56-Y64 VanDerWaalsContact CB-OH 3.24Å; D56-Y64 WeakPolarHBondContact CB-OH 3.48Å; D56-Y64 PolarHBondContact N-OH 3.39Å; D56-Y64 PolarHBondContact O-OH 3.42Å; R59-Y64 HydrophobicContact CB-CD2 4.33Å; R59-Y64 HydrophobicContact CB-CE2 3.55Å; R59-Y64 HydrophobicContact CG-CD2 3.9Å; R59-Y64 HydrophobicContact CG-CE1 4.49Å; R59-Y64 HydrophobicContact CG-CE2 3.56Å; S60-Y64 WeakPolarHBondContact O-CD2 3.32Å; S60-Y64 PolarHBondContact O-N 2.74Å; L61-Y64 WeakPolarHBondContact O-CB 3.41Å; L61-Y64 PolarHBondContact O-N 2.67Å; L61-Y64 VanDerWaalsContact O-N 3.08Å; A62-Y64 VanDerWaalsContact C-N 3.26Å; A62-Y64 PolarHBondContact O-N 3.27Å; Y64-L66 VanDerWaalsContact CB-CD1 3.5Å
65G85.9Confident88.7Confident33 Ų3363.6 Ų63.634%0.3435%0.345SS..THydrogen-bonded Turntrans96.14.1178.100000114.4Y49 L61 A62Y49-G65 PolarHBondContact OH-O 3.42Å; L61-G65 PolarHBondContact O-N 3.34Å; A62-G65 WeakPolarHBondContact O-CA 3.44Å; A62-G65 PolarHBondContact O-N 2.94Å
66L90.7Very high88.8Confident5 Ų561 Ų613%0.02633%0.325CS..  trans-68137.2179.3-71.487.7000111.3M1 L3 Y49 L54 L61 Y64 V72M1-L66 HydrophobicContact CE-CB 4.38Å; M1-L66 HydrophobicContact SD-CB 4.17Å; L3-L66 HydrophobicContact CD1-CD2 3.69Å; L3-L66 HydrophobicContact CD2-CB 4.39Å; L3-L66 HydrophobicContact CD2-CD2 4.07Å; Y49-L66 HydrophobicContact CD1-CD1 3.76Å; Y49-L66 HydrophobicContact CD1-CG 3.91Å; Y49-L66 HydrophobicContact CD2-CD2 4.47Å; Y49-L66 HydrophobicContact CD2-CG 4.07Å; Y49-L66 HydrophobicContact CE1-CD1 4.17Å; Y49-L66 HydrophobicContact CE1-CG 4.03Å; Y49-L66 HydrophobicContact CE2-CG 4.17Å; Y49-L66 HydrophobicContact CG-CD1 4.03Å; Y49-L66 HydrophobicContact CG-CD2 4.49Å; Y49-L66 HydrophobicContact CG-CG 3.93Å; L54-L66 HydrophobicContact CD1-CD1 4.12Å; L61-L66 HydrophobicContact CB-CB 4.39Å; L61-L66 HydrophobicContact CB-CD1 4.4Å; L61-L66 HydrophobicContact CB-CD2 4.5Å; L61-L66 HydrophobicContact CD2-CD1 4.49Å; L61-L66 HydrophobicContact CD2-CD2 4.36Å; L61-L66 WeakPolarHBondContact O-CB 3.28Å; L61-L66 WeakPolarHBondContact O-CD1 3.23Å; L61-L66 PolarHBondContact O-N 3.04Å; Y64-L66 VanDerWaalsContact CB-CD1 3.5Å; L66-V72 HydrophobicContact CD2-CG1 3.4Å; L66-V72 VanDerWaalsContact CD2-CG1 3.4Å; L66-V72 HydrophobicContact CG-CG1 4.43Å
67K90.9Very high88.5Confident147 Ų14761.8 Ų61.864%0.63933%0.325SS*.  trans-125.6169.6179.8-61179.6-173.3176.60110.8L3 G69 D70L3-K67 VanDerWaalsContact CD2-O 3.3Å; L3-K67 WeakPolarHBondContact CD2-O 3.28Å; K67-G69 PolarHBondContact O-N 3.3Å; K67-D70 PolarHBondContact N-OD2 2.91Å; K67-D70 WeakPolarHBondContact O-CB 3.35Å; K67-D70 PolarHBondContact O-N 2.99Å
68D90Very high87.4Confident113 Ų11367.3 Ų67.360%0.60435%0.349SS*.THydrogen-bonded Turntrans-59.9128.9173.6-165.569.7000111.3M1 L2M1-D68 WeakPolarHBondContact CA-OD1 3.49Å; M1-D68 HydrophobicContact CB-CB 4.16Å; L2-D68 PolarHBondContact N-OD1 3.11Å
69G85.4Confident85.9Confident49 Ų4965.6 Ų65.651%0.50535%0.345SS..THydrogen-bonded Turntrans88.7-0.7-177.900000115.1L2 K67L2-G69 WeakPolarHBondContact O-CA 3.44Å; L2-G69 PolarHBondContact O-N 2.89Å; K67-G69 PolarHBondContact O-N 3.3Å
70D90.8Very high83.8Confident40 Ų4064.6 Ų64.621%0.21436%0.36CS..  trans-73.4151-178.2-80.3-16.1000113.2L3 T4 Y49 K67L3-D70 WeakPolarHBondContact CA-O 3.25Å; L3-D70 HydrophobicContact CD2-CB 3.98Å; T4-D70 PolarHBondContact N-O 3Å; Y49-D70 HydrophobicContact CE2-CB 3.82Å; Y49-D70 WeakPolarHBondContact CE2-OD2 3.37Å; Y49-D70 VanDerWaalsContact CZ-OD2 3.31Å; Y49-D70 PolarHBondContact OH-OD2 3.45Å; K67-D70 PolarHBondContact N-OD2 2.91Å; K67-D70 WeakPolarHBondContact O-CB 3.35Å; K67-D70 PolarHBondContact O-N 2.99Å
71V90.5Very high81.2Confident83 Ų8369.9 Ų69.950%0.50339%0.385SS..EExtended strand (participates in β ladder)trans-104.1131.9177-173.20000109.9T4T4-V71 CarbonylContact O-C 3.53Å; T4-V71 VanDerWaalsContact O-CA 3.26Å; T4-V71 WeakPolarHBondContact O-CA 3.48Å
72V92.1Very high78.9Confident0 Ų075 Ų750%042%0.419CS..EExtended strand (participates in β ladder)trans-119147.4174.3-59.50000110.2T4 V5 Y6 F30 I47 Y49 L66T4-V72 PolarHBondContact O-N 3.49Å; V5-V72 WeakPolarHBondContact CA-O 3.13Å; V5-V72 HydrophobicContact CB-CG2 4.13Å; V5-V72 HydrophobicContact CG1-CG2 4.16Å; V5-V72 HydrophobicContact CG2-CG2 3.71Å; Y6-V72 PolarHBondContact N-O 2.9Å; F30-V72 HydrophobicContact CE1-CG2 4.07Å; F30-V72 HydrophobicContact CZ-CG2 4.01Å; I47-V72 HydrophobicContact CG2-CB 4.29Å; Y49-V72 HydrophobicContact CD2-CG1 3.98Å; Y49-V72 HydrophobicContact CG-CG1 4.41Å; L66-V72 HydrophobicContact CD2-CG1 3.4Å; L66-V72 VanDerWaalsContact CD2-CG1 3.4Å; L66-V72 HydrophobicContact CG-CG1 4.43Å
73I92.9Very high76.2Confident70 Ų7084 Ų8436%0.35944%0.443SS..EExtended strand (participates in β ladder)trans-103.5124.3-179.7-55.4174.6000109Y6 I47 V48 R75Y6-I73 HydrophobicContact CD1-CG2 4.42Å; Y6-I73 CarbonylContact O-C 3.41Å; Y6-I73 WeakPolarHBondContact O-CA 3.42Å; I47-I73 CarbonylContact C-O 3.55Å; I47-I73 WeakPolarHBondContact CA-O 3.31Å; V48-I73 HydrophobicContact CB-CB 4.35Å; V48-I73 PolarHBondContact N-O 3.45Å; V48-I73 PolarHBondContact O-N 3.14Å; I73-R75 HydrophobicContact CG2-CG 3.86Å
74L91.4Very high73.5Confident0 Ų087.2 Ų87.20%046%0.463CS..EExtended strand (participates in β ladder)trans-104.2112.4173.7-175.776.8000109.3V5 Y6 C7 V8 C34 S38 I40 I47V5-L74 HydrophobicContact CG1-CB 3.75Å; V5-L74 HydrophobicContact CG1-CD2 4.42Å; Y6-L74 PolarHBondContact O-N 3.41Å; C7-L74 WeakPolarHBondContact CA-O 3.5Å; C7-L74 HydrophobicContact CB-CB 4.2Å; C7-L74 HydrophobicContact CB-CD2 4.19Å; V8-L74 PolarHBondContact N-O 3.37Å; C34-L74 HydrophobicContact CB-CD1 4.07Å; C34-L74 HydrophobicContact CB-CD2 4.01Å; S38-L74 WeakPolarHBondContact OG-CD2 3.39Å; I40-L74 HydrophobicContact CD1-CD2 4.17Å; I47-L74 HydrophobicContact CD1-CD1 4.23Å; I47-L74 HydrophobicContact CG1-CD1 3.52Å
75R89.3Confident70.9Confident142 Ų14290.9 Ų90.954%0.53649%0.491SS..EExtended strand (participates in β ladder)trans-108.9135178.6-62.2-175.567.6-178.51.7111.2Q46 I73Q46-R75 PolarHBondContact N-O 2.78Å; Q46-R75 PolarHBondContact O-N 2.93Å; I73-R75 HydrophobicContact CG2-CG 3.86Å
76Q86.8Confident68.3Low47 Ų4794.9 Ų94.922%0.2251%0.509CS..EExtended strand (participates in β ladder)trans-80.7118.9169.6-166.7173.410.700110.9V8 R10 I40 E44V8-Q76 PolarHBondContact O-N 2.72Å; R10-Q76 HydrophobicContact CG-CB 4.08Å; R10-Q76 HydrophobicContact CG-CG 3.93Å; I40-Q76 HydrophobicContact CD1-CB 4Å; I40-Q76 HydrophobicContact CG1-CB 4.43Å; I40-Q76 HydrophobicContact CG2-CB 4.09Å; I40-Q76 HydrophobicContact CG2-CG 3.71Å; E44-Q76 HydrophobicContact CB-CG 4.19Å; E44-Q76 CarbonylContact O-C 3.54Å; E44-Q76 VanDerWaalsContact O-CA 3.23Å; E44-Q76 WeakPolarHBondContact O-CA 3.36Å; E44-Q76 PolarHBondContact OE2-NE2 3.22Å
77K79.6Confident65.3Low97 Ų97103.4 Ų103.442%0.42255%0.549SS..PPolyproline II helixtrans-92.5155173.9-73.8-172.3170175.70112.1R10 E44 Q46R10-K77 PolarHBondContact NH2-O 3.49Å; E44-K77 PolarHBondContact O-N 3.47Å; Q46-K77 HydrophobicContact CB-CD 3.95Å; Q46-K77 HydrophobicContact CB-CG 4.11Å
78E64.5Low62.5Low174 Ų174105 Ų10581%0.81356%0.556SS**PPolyproline II helixtrans-79119.4166.3-163.4172-153.500108.3A80E78-A80 PolarHBondContact O-N 3.2Å
79N53.8Low59.6Low105 Ų105105.1 Ų105.156%0.56156%0.563SS**  trans-84.799176.4-143.314.3000108.7D81N79-D81 PolarHBondContact O-N 2.86Å
80A43.8Very low57Low87 Ų87110.4 Ų110.472%0.71958%0.579SS**  trans-86.191161.700000107.9E78E78-A80 PolarHBondContact O-N 3.2Å
81D36.9Very low54.3Low143 Ų143116.3 Ų116.377%0.76561%0.61SS**  trans-143.8133.2146.5-106.2-33.4000111.2N79N79-D81 PolarHBondContact O-N 2.86Å
82P40.1Very low51.6Low109 Ų109117.7 Ų117.771%0.70862%0.621SS**PPolyproline II helixtrans-77.2140.9-173.414.2-1000110.4
83R30.5Very low49Very low232 Ų232129.4 Ų129.488%0.87567%0.665SS**PPolyproline II helixtrans-50.4138.1159.7-63.7176-150.5174.47.3108.2P85R83-P85 WeakPolarHBondContact O-CD 3.35Å; R83-P85 VanDerWaalsContact O-N 3.1Å
84P30.9Very low46.6Very low118 Ų118130 Ų13077%0.76667%0.668SS**PPolyproline II helixtrans-59121.8175.623.4-30.2000108.1V86P84-V86 PolarHBondContact O-N 3.38Å
85P31.9Very low44.1Very low114 Ų114134.9 Ų134.974%0.7470%0.695SS**PPolyproline II helixtrans-68.8133176.927-30.5000108.3R83 Q87R83-P85 WeakPolarHBondContact O-CD 3.35Å; R83-P85 VanDerWaalsContact O-N 3.1Å; P85-Q87 PolarHBondContact O-N 3.22Å
86V31.8Very low41.7Very low117 Ų117131.7 Ų131.771%0.70969%0.685SS**PPolyproline II helixtrans-54.3119.5169-1780000108P84 F88P84-V86 PolarHBondContact O-N 3.38Å; V86-F88 HydrophobicContact CB-CE2 4.47Å; V86-F88 HydrophobicContact CG1-CE2 4.15Å; V86-F88 HydrophobicContact CG1-CZ 4.34Å; V86-F88 PolarHBondContact O-N 3.19Å
87Q27.6Very low39.5Very low185 Ų185134.3 Ų134.386%0.86471%0.708SS**PPolyproline II helixtrans-67.3121.2176.2-79.3173.3-24.100110P85P85-Q87 PolarHBondContact O-N 3.22Å
88F32.3Very low37.7Very low180 Ų180134.3 Ų134.379%0.78972%0.72SS**  trans-109122.4157.9-68.8-80.5000108.1V86V86-F88 HydrophobicContact CB-CE2 4.47Å; V86-F88 HydrophobicContact CG1-CE2 4.15Å; V86-F88 HydrophobicContact CG1-CZ 4.34Å; V86-F88 PolarHBondContact O-N 3.19Å
89P28.6Very low36.7Very low116 Ų116130 Ų13075%0.75370%0.702SS**SBendtrans-78.6136178.523.7-19000110.8
90N31.1Very low35.9Very low159 Ų159129 Ų12985%0.8571%0.708SS**SBendtrans10932.1164.6-61.9-13.1000121
91L33.3Very low35.5Very low164 Ų164128.2 Ų128.286%0.85969%0.694SS**  trans-130.1137.6161.1-81.2161.2000111.8R93L91-R93 PolarHBondContact O-N 2.71Å
92P34.2Very low35.3Very low113 Ų113126.8 Ų126.873%0.73469%0.693SS**  trans-67.3131.9173.527-30.4000110.1I94P92-I94 PolarHBondContact O-N 2.84Å
93R38.1Very low35Very low245 Ų245125.3 Ų125.393%0.92570%0.697SS**  trans-79.4108.8-179-172.4178173.4-177.6-3109L91L91-R93 PolarHBondContact O-N 2.71Å
94I42.3Very low35Very low83 Ų83119.8 Ų119.843%0.42669%0.689SS.*  trans-100.6124.7170.1-56.4177.8000107.9P92 F96 M141P92-I94 PolarHBondContact O-N 2.84Å; I94-F96 HydrophobicContact CB-CE2 3.92Å; I94-F96 HydrophobicContact CB-CZ 4.35Å; I94-F96 HydrophobicContact CG2-CD2 4.1Å; I94-F96 HydrophobicContact CG2-CE1 4.22Å; I94-F96 HydrophobicContact CG2-CE2 3.55Å; I94-F96 HydrophobicContact CG2-CZ 3.61Å; I94-M141 HydrophobicContact CD1-SD 4.29Å
95D39.6Very low35Very low103 Ų103120.3 Ų120.355%0.55170%0.696SS**  trans-97.3108.5-179.7-176.8-0.3000110.6S97 S98D95-S97 VanDerWaalsContact CG-OG 3.28Å; D95-S97 VanDerWaalsContact OD1-CB 3.26Å; D95-S97 WeakPolarHBondContact OD1-CB 3.49Å; D95-S97 PolarHBondContact OD1-N 3.05Å; D95-S97 PolarHBondContact OD1-OG 3.13Å; D95-S97 PolarHBondContact OD2-OG 3.29Å; D95-S98 PolarHBondContact O-OG 3.09Å
96F37.2Very low34.9Very low75 Ų75119.5 Ų119.533%0.32969%0.693SS.*G310 helixtrans-90.54.9-179.3-71.9-80.1000113.9I94 S98 I99 M141I94-F96 HydrophobicContact CB-CE2 3.92Å; I94-F96 HydrophobicContact CB-CZ 4.35Å; I94-F96 HydrophobicContact CG2-CD2 4.1Å; I94-F96 HydrophobicContact CG2-CE1 4.22Å; I94-F96 HydrophobicContact CG2-CE2 3.55Å; I94-F96 HydrophobicContact CG2-CZ 3.61Å; F96-S98 PolarHBondContact O-N 3.44Å; F96-I99 HydrophobicContact CD1-CD1 3.65Å; F96-I99 HydrophobicContact CD1-CG1 4.46Å; F96-I99 HydrophobicContact CE1-CD1 4.12Å; F96-I99 PolarHBondContact O-N 3.39Å; F96-M141 HydrophobicContact CE1-CE 4.4Å; F96-M141 HydrophobicContact CZ-CE 3.64Å; F96-M141 HydrophobicContact CZ-SD 4.4Å
97S42Very low34.9Very low101 Ų101120.4 Ų120.471%0.70670%0.701SS**G310 helixtrans-68.7-11.7175.467.40000113.7D95D95-S97 VanDerWaalsContact CG-OG 3.28Å; D95-S97 VanDerWaalsContact OD1-CB 3.26Å; D95-S97 WeakPolarHBondContact OD1-CB 3.49Å; D95-S97 PolarHBondContact OD1-N 3.05Å; D95-S97 PolarHBondContact OD1-OG 3.13Å; D95-S97 PolarHBondContact OD2-OG 3.29Å
98S41.2Very low35Very low98 Ų98123.1 Ų123.169%0.68570%0.704SS**G310 helixtrans-92.9-4.5-178.958.10000114.7D95 F96 A100D95-S98 PolarHBondContact O-OG 3.09Å; F96-S98 PolarHBondContact O-N 3.44Å; S98-A100 PolarHBondContact O-N 2.86Å; S98-A100 VanDerWaalsContact O-N 3.14Å
99I43.3Very low35Very low83 Ų83123.5 Ų123.543%0.42671%0.708SS.*  trans-88.379.9176.6-55.2-171.7000109.4F96F96-I99 HydrophobicContact CD1-CD1 3.65Å; F96-I99 HydrophobicContact CD1-CG1 4.46Å; F96-I99 HydrophobicContact CE1-CD1 4.12Å; F96-I99 PolarHBondContact O-N 3.39Å
100A38.2Very low35Very low83 Ų83128.5 Ų128.569%0.68671%0.712SS**  trans-80.3142167.300000110.9S98 R182S98-A100 PolarHBondContact O-N 2.86Å; S98-A100 VanDerWaalsContact O-N 3.14Å; A100-R182 PolarHBondContact O-NH1 3.29Å
101V34.5Very low35Very low72 Ų72129.8 Ų129.844%0.43671%0.713SS.*  trans-135.1146163.1-126.90000108
102P32.4Very low34.9Very low112 Ų112127.5 Ų127.573%0.72771%0.707SS**SBendtrans-75.6142.7-167.3-8.626.1000112.3
103G34.4Very low34.8Very low78 Ų78128.7 Ų128.780%0.80472%0.715SS**  trans149.4-10.716600000117.6
104T31.3Very low34.3Very low116 Ų116120.6 Ų120.671%0.71271%0.708SS**  trans-126.3112.8172.762.40000109.4S106T104-S106 PolarHBondContact O-N 3.46Å
105S29.2Very low33.9Very low130 Ų130123 Ų12391%0.90973%0.727SS**  trans-59.5102.5169.327.60000109.4
106S29.9Very low33.4Very low97 Ų97127.3 Ų127.368%0.67874%0.744SS**  trans-99.5125.5156.9-57.90000107.4T104 R108T104-S106 PolarHBondContact O-N 3.46Å; S106-R108 PolarHBondContact O-N 2.59Å
107P31.4Very low33Very low135 Ų135132.4 Ų132.488%0.87777%0.769SS**  trans-74.5101.5-177.529.1-30.3000108.7
108R31Very low32.3Very low242 Ų242132.5 Ų132.591%0.91377%0.769SS**  trans-91.5109.1168.1-124-178.4176.6-168.8-1108.5S106 R110S106-R108 PolarHBondContact O-N 2.59Å; R108-R110 PolarHBondContact O-N 2.87Å
109Q32.1Very low31.6Very low188 Ų188136.4 Ų136.488%0.87978%0.776SS**PPolyproline II helixtrans-46128.5174-84.5172.8-24.800112.3Q111Q109-Q111 PolarHBondContact O-N 2.83Å
110R28.9Very low30.7Very low221 Ų221138.2 Ų138.283%0.83480%0.796SS**PPolyproline II helixtrans-65.9120.9163.8-71.9176.1174.2172.80.8109R108R108-R110 PolarHBondContact O-N 2.87Å
111Q30.4Very low30.2Very low187 Ų187139.6 Ų139.687%0.87480%0.801SS**PPolyproline II helixtrans-89.2145.1159.8-86.9-176.9-18.200109.9Q109Q109-Q111 PolarHBondContact O-N 2.83Å
112P31.5Very low30Very low115 Ų115142.5 Ų142.575%0.74782%0.821SS**PPolyproline II helixtrans-81161.3177.520.6-10.8000112.9
113P31.3Very low30Very low139 Ų139140.5 Ų140.590%0.90382%0.821SS**PPolyproline II helixtrans-82.8123.8-17432.4-30.8000111.4
114G28.1Very low29.6Very low74 Ų74145.8 Ų145.876%0.76383%0.825SS**  trans-133.3118.2174.400000110.9
115T35.3Very low29.5Very low135 Ų135147.6 Ų147.683%0.82883%0.828SS**  trans-49.2130.4174.343.80000114.2
116Q28.8Very low29.6Very low193 Ų193147.9 Ų147.990%0.90283%0.825SS**  trans-172.6142130.3-105.4167.413.300113.8
117Q28.7Very low29.5Very low182 Ų182147.4 Ų147.485%0.8582%0.822SS**  trans-59.3145.4178.1-66.9157.7-31.500112.6
118S26.1Very low29.5Very low102 Ų102145.1 Ų145.171%0.71381%0.809SS**  170.2138.6109.851.20000113.6
119H27.3Very low29.7Very low180 Ų180137.9 Ų137.983%0.83379%0.793SS**  trans68.785.3162.2-57.3-56.6000119.8S121H119-S121 PolarHBondContact O-N 2.88Å
120S25Very low29.9Very low122 Ų122137.8 Ų137.885%0.85379%0.793SS**  trans-71.8110.8146.740.50000110.5
121S25.9Very low30.5Very low111 Ų111129.1 Ų129.178%0.77677%0.772SS**  trans-85.6134.1149-64.50000107.9H119H119-S121 PolarHBondContact O-N 2.88Å
122P32.1Very low31.2Very low134 Ų134123.1 Ų123.187%0.8775%0.745SS**SBendtrans-84.5121-173.230.2-28.1000110.9
123G31.8Very low32.2Very low70 Ų70123.6 Ų123.672%0.72274%0.742SS**  trans112.172.9160.300000115.6
124E25.4Very low33.9Very low189 Ų189121 Ų12188%0.88372%0.721SS**  trans-12291.4142.6-88.6-175157.800107.4T126E124-T126 PolarHBondContact O-N 3.31Å; E124-T126 VanDerWaalsContact O-N 3.09Å
125I28.7Very low35.8Very low154 Ų154118.9 Ų118.979%0.7969%0.693SS**  trans-52.3114151.2-59.8166.2000103.9S127I125-S127 PolarHBondContact O-N 2.98Å
126T31Very low37.6Very low136 Ų136114.7 Ų114.783%0.83467%0.672SS**  trans-63.478.7165.3460000106.6E124 S128E124-T126 PolarHBondContact O-N 3.31Å; E124-T126 VanDerWaalsContact O-N 3.09Å; T126-S128 PolarHBondContact O-N 3.29Å
127S28.2Very low39.6Very low87 Ų87110.4 Ų110.461%0.60866%0.655SS**  trans-60.9110.5163.9410000104.5I125I125-S127 PolarHBondContact O-N 2.98Å
128S31.6Very low41.7Very low87 Ų87102.8 Ų102.861%0.60862%0.62SS**  trans-39.4128.1158.129.90000107.3T126 Q130T126-S128 PolarHBondContact O-N 3.29Å; S128-Q130 PolarHBondContact O-N 3.19Å
129P35.2Very low44Very low89 Ų89101.1 Ų101.158%0.57860%0.598SS**  trans-56.4117.2-179-15.424.8000107G131 L132P129-G131 PolarHBondContact O-N 3.45Å; P129-L132 PolarHBondContact O-N 3.26Å
130Q37.3Very low46.2Very low187 Ų18794.4 Ų94.487%0.87458%0.577SS**THydrogen-bonded Turntrans-65.328.9-173.3-73.4175.1-37.800114S128S128-Q130 PolarHBondContact O-N 3.19Å
131G40Very low48.6Very low39 Ų3990.8 Ų90.840%0.40255%0.548SS..THydrogen-bonded Turntrans-122.8-5.8178.900000115.2P129P129-G131 PolarHBondContact O-N 3.45Å
132L46.2Very low50.9Low60 Ų6086.4 Ų86.431%0.31452%0.515SS..SBendtrans-89.7-7.4-179.4-68.6171.6000114.3P129 N134 L138P129-L132 PolarHBondContact O-N 3.26Å; L132-N134 VanDerWaalsContact C-N 3.29Å; L132-N134 PolarHBondContact O-N 3.29Å; L132-L138 HydrophobicContact CD2-CD1 3.75Å
133D52Low53.1Low126 Ų12683.6 Ų83.667%0.67449%0.493SS*.SBendtrans-82.7-5.1-179.3-64.5-32.6000113.5P135D133-P135 VanDerWaalsContact O-CD 3.27Å; D133-P135 WeakPolarHBondContact O-CD 3.4Å
134N66.6Low55.4Low85 Ų8584.1 Ų84.146%0.45549%0.49SS..  trans-99.2103.3178.4-168.1-11.8000111L132 A136 L137 L138L132-N134 VanDerWaalsContact C-N 3.29Å; L132-N134 PolarHBondContact O-N 3.29Å; N134-A136 PolarHBondContact O-N 3.35Å; N134-A136 VanDerWaalsContact O-N 3.16Å; N134-A136 PolarHBondContact OD1-N 2.94Å; N134-L137 HydrophobicContact CB-CB 4.09Å; N134-L137 PolarHBondContact O-N 3.48Å; N134-L137 VanDerWaalsContact O-N 3.08Å; N134-L138 PolarHBondContact O-N 3.39Å; N134-L138 VanDerWaalsContact O-N 3.09Å
135P67.8Low57.9Low29 Ų2977.7 Ų77.719%0.18846%0.462CS..Hα-helixtrans-61.8-26.7-176.624.4-34.2000112.8D133 R139 F171 L175D133-P135 VanDerWaalsContact O-CD 3.27Å; D133-P135 WeakPolarHBondContact O-CD 3.4Å; P135-R139 WeakPolarHBondContact O-CB 3.11Å; P135-R139 PolarHBondContact O-N 3.32Å; P135-F171 HydrophobicContact CB-CD1 4.34Å; P135-F171 HydrophobicContact CB-CE1 4.45Å; P135-F171 WeakPolarHBondContact O-CE1 3.23Å; P135-L175 HydrophobicContact CB-CD2 4.38Å
136A72.9Confident60.2Low46 Ų4675.3 Ų75.338%0.3846%0.456SS..Hα-helixtrans-70.5-38176.900000112.5N134 G140 L168N134-A136 PolarHBondContact O-N 3.35Å; N134-A136 VanDerWaalsContact O-N 3.16Å; N134-A136 PolarHBondContact OD1-N 2.94Å; A136-G140 PolarHBondContact O-N 3.07Å; A136-G140 VanDerWaalsContact O-N 3.1Å; A136-L168 HydrophobicContact CB-CD1 4.11Å; A136-L168 HydrophobicContact CB-CD2 4.27Å
137L72.1Confident62.3Low104 Ų10475.8 Ų75.855%0.54545%0.448SS..Hα-helixtrans-75-41.5179.6-167.9140.7000110.9N134 G140 M141N134-L137 HydrophobicContact CB-CB 4.09Å; N134-L137 PolarHBondContact O-N 3.48Å; N134-L137 VanDerWaalsContact O-N 3.08Å; L137-G140 PolarHBondContact O-N 3.16Å; L137-M141 WeakPolarHBondContact O-CB 3.34Å; L137-M141 PolarHBondContact O-N 3.47Å
138L72.1Confident64.2Low21 Ų2173.7 Ų73.711%0.1143%0.429CS..Hα-helixtrans-62-43.4174.8-168.874.8000111.8L132 N134 G140 M141 L142 F171 L175L132-L138 HydrophobicContact CD2-CD1 3.75Å; N134-L138 PolarHBondContact O-N 3.39Å; N134-L138 VanDerWaalsContact O-N 3.09Å; L138-G140 PolarHBondContact O-N 3.25Å; L138-M141 HydrophobicContact CD1-CE 3.7Å; L138-M141 PolarHBondContact O-N 3.14Å; L138-L142 HydrophobicContact CG-CD1 4.09Å; L138-L142 WeakPolarHBondContact O-CB 3.43Å; L138-L142 VanDerWaalsContact O-CG 3.31Å; L138-L142 WeakPolarHBondContact O-CG 3.31Å; L138-L142 PolarHBondContact O-N 3.47Å; L138-F171 HydrophobicContact CD2-CE1 4.39Å; L138-F171 HydrophobicContact CD2-CZ 4.15Å; L138-L175 HydrophobicContact CD2-CD1 3.52Å; L138-L175 HydrophobicContact CD2-CD2 3.63Å; L138-L175 HydrophobicContact CD2-CG 4.23Å
139R75.3Confident66.4Low67 Ų6770.8 Ų70.825%0.25341%0.407SS..Hα-helixtrans-59.6-45.6173.3169.5166.5-175.8-85.82.4111.9P135 M141 L142 L143 L163 G166 F171P135-R139 WeakPolarHBondContact O-CB 3.11Å; P135-R139 PolarHBondContact O-N 3.32Å; R139-M141 VanDerWaalsContact C-N 3.33Å; R139-M141 PolarHBondContact O-N 3.48Å; R139-L142 PolarHBondContact O-N 3.25Å; R139-L143 HydrophobicContact CG-CD1 3.84Å; R139-L143 WeakPolarHBondContact O-CB 3.25Å; R139-L143 VanDerWaalsContact O-CG 3.28Å; R139-L143 WeakPolarHBondContact O-CG 3.23Å; R139-L143 PolarHBondContact O-N 3.38Å; R139-L163 HydrophobicContact CB-CD1 3.84Å; R139-L163 HydrophobicContact CG-CD1 3.6Å; R139-G166 PolarHBondContact NH2-O 2.93Å; R139-F171 HydrophobicContact CB-CD1 3.99Å; R139-F171 HydrophobicContact CB-CE1 3.82Å; R139-F171 HydrophobicContact CB-CZ 4.43Å
140G73.8Confident68.4Low39 Ų3969.9 Ų69.940%0.40240%0.402SS..Hα-helixtrans-60.8-41.9178.500000112.6A136 L137 L138 A144A136-G140 PolarHBondContact O-N 3.07Å; A136-G140 VanDerWaalsContact O-N 3.1Å; L137-G140 PolarHBondContact O-N 3.16Å; L138-G140 PolarHBondContact O-N 3.25Å; G140-A144 VanDerWaalsContact O-CB 3.25Å; G140-A144 WeakPolarHBondContact O-CB 3.28Å; G140-A144 PolarHBondContact O-N 3.47Å
141M74.5Confident70.1Confident47 Ų4764.4 Ų64.423%0.23238%0.379CS..Hα-helixtrans-66.4-47.2178.1-175-179.872.300112.5I94 F96 L137 L138 R139 L143 A144 N145I94-M141 HydrophobicContact CD1-SD 4.29Å; F96-M141 HydrophobicContact CE1-CE 4.4Å; F96-M141 HydrophobicContact CZ-CE 3.64Å; F96-M141 HydrophobicContact CZ-SD 4.4Å; L137-M141 WeakPolarHBondContact O-CB 3.34Å; L137-M141 PolarHBondContact O-N 3.47Å; L138-M141 HydrophobicContact CD1-CE 3.7Å; L138-M141 PolarHBondContact O-N 3.14Å; R139-M141 VanDerWaalsContact C-N 3.33Å; R139-M141 PolarHBondContact O-N 3.48Å; M141-L143 VanDerWaalsContact C-N 3.3Å; M141-L143 PolarHBondContact O-N 2.95Å; M141-A144 PolarHBondContact O-N 3.11Å; M141-A144 VanDerWaalsContact O-N 3.11Å; M141-N145 PolarHBondContact O-N 2.71Å; M141-N145 VanDerWaalsContact O-N 3.14Å
142L75.1Confident71.8Confident19 Ų1963.9 Ų63.910%0.09937%0.366CS..Hα-helixtrans-65.4-31.9179-70.5167.6000112.9L138 R139 E148 L152 L163 F171L138-L142 HydrophobicContact CG-CD1 4.09Å; L138-L142 WeakPolarHBondContact O-CB 3.43Å; L138-L142 VanDerWaalsContact O-CG 3.31Å; L138-L142 WeakPolarHBondContact O-CG 3.31Å; L138-L142 PolarHBondContact O-N 3.47Å; R139-L142 PolarHBondContact O-N 3.25Å; L142-E148 HydrophobicContact CD2-CB 4.19Å; L142-L152 HydrophobicContact CD1-CD2 4.15Å; L142-L163 HydrophobicContact CB-CD1 4.29Å; L142-L163 HydrophobicContact CB-CD2 3.69Å; L142-L163 HydrophobicContact CD1-CD1 4.36Å; L142-L163 HydrophobicContact CD1-CD2 4.2Å; L142-F171 HydrophobicContact CD1-CE2 4.43Å; L142-F171 HydrophobicContact CD1-CZ 4.02Å
143L78.2Confident73.3Confident75 Ų7565.8 Ų65.839%0.39337%0.372SS..Hα-helixtrans-77.4-28.2173.7-70.1173.2000112.5R139 M141 N145 L163R139-L143 HydrophobicContact CG-CD1 3.84Å; R139-L143 WeakPolarHBondContact O-CB 3.25Å; R139-L143 VanDerWaalsContact O-CG 3.28Å; R139-L143 WeakPolarHBondContact O-CG 3.23Å; R139-L143 PolarHBondContact O-N 3.38Å; M141-L143 VanDerWaalsContact C-N 3.3Å; M141-L143 PolarHBondContact O-N 2.95Å; L143-N145 VanDerWaalsContact C-N 3.32Å; L143-L163 HydrophobicContact CD2-CD2 4.41Å; L143-L163 HydrophobicContact CD2-CG 4.22Å; L143-L163 HydrophobicContact CG-CD1 4.33Å; L143-L163 HydrophobicContact CG-CG 4.39Å
144A78.4Confident74.3Confident81 Ų8167 Ų6767%0.66937%0.374SS*.Hα-helixtrans-75.8-20177.200000113.1G140 M141 P146G140-A144 VanDerWaalsContact O-CB 3.25Å; G140-A144 WeakPolarHBondContact O-CB 3.28Å; G140-A144 PolarHBondContact O-N 3.47Å; M141-A144 PolarHBondContact O-N 3.11Å; M141-A144 VanDerWaalsContact O-N 3.11Å; A144-P146 WeakPolarHBondContact O-CD 3.36Å
145N79.8Confident74.4Confident54 Ų5471 Ų7129%0.28938%0.383SS..  trans-114.7100.2179.1-167.6-13.5000112.2M141 L143 H147 E148 L149M141-N145 PolarHBondContact O-N 2.71Å; M141-N145 VanDerWaalsContact O-N 3.14Å; L143-N145 VanDerWaalsContact C-N 3.32Å; N145-H147 PolarHBondContact O-N 3.34Å; N145-H147 PolarHBondContact OD1-N 3.14Å; N145-E148 HydrophobicContact CB-CB 4.08Å; N145-E148 HydrophobicContact CB-CG 4.14Å; N145-E148 WeakPolarHBondContact ND2-CG 3.37Å; N145-E148 PolarHBondContact ND2-OE1 2.83Å; N145-E148 PolarHBondContact O-N 2.78Å; N145-L149 PolarHBondContact O-N 3.33Å; N145-L149 VanDerWaalsContact O-N 3.13Å
146P76.4Confident74.7Confident103 Ų10370.6 Ų70.667%0.66938%0.379SS*.Hα-helixtrans-59.6-28.2-179.5-23.733000114.4A144 S150A144-P146 WeakPolarHBondContact O-CD 3.36Å; P146-S150 PolarHBondContact O-N 3.47Å; P146-S150 VanDerWaalsContact O-N 3.15Å
147H73.8Confident75.1Confident146 Ų14671.5 Ų71.568%0.67638%0.381SS*.Hα-helixtrans-73.5-43179.8-173.458000111.5N145 L149 S150 L151N145-H147 PolarHBondContact O-N 3.34Å; N145-H147 PolarHBondContact OD1-N 3.14Å; H147-L149 VanDerWaalsContact C-N 3.32Å; H147-L149 PolarHBondContact O-N 3.34Å; H147-S150 WeakPolarHBondContact O-CB 3.28Å; H147-S150 PolarHBondContact O-N 2.86Å; H147-L151 PolarHBondContact O-N 2.87Å
148E69.4Low75.5Confident43 Ų4370 Ų7020%0.20138%0.377CS..Hα-helixtrans-64.5-37.9174.6-75.2171.9-157.100111.8L142 N145 S150 L151 L152L142-E148 HydrophobicContact CD2-CB 4.19Å; N145-E148 HydrophobicContact CB-CB 4.08Å; N145-E148 HydrophobicContact CB-CG 4.14Å; N145-E148 WeakPolarHBondContact ND2-CG 3.37Å; N145-E148 PolarHBondContact ND2-OE1 2.83Å; N145-E148 PolarHBondContact O-N 2.78Å; E148-S150 VanDerWaalsContact C-N 3.31Å; E148-S150 PolarHBondContact O-N 3.25Å; E148-L151 PolarHBondContact O-N 3.49Å; E148-L152 VanDerWaalsContact O-CB 3.27Å; E148-L152 WeakPolarHBondContact O-CB 3.42Å; E148-L152 PolarHBondContact O-N 3.3Å
149L77Confident75.8Confident27 Ų2769.6 Ų69.614%0.14138%0.375CS..Hα-helixtrans-62.7-38.8174.5-175.365.7000112.1N145 H147 K153 L163 L164N145-L149 PolarHBondContact O-N 3.33Å; N145-L149 VanDerWaalsContact O-N 3.13Å; H147-L149 VanDerWaalsContact C-N 3.32Å; H147-L149 PolarHBondContact O-N 3.34Å; L149-K153 VanDerWaalsContact O-CG 3.31Å; L149-K153 WeakPolarHBondContact O-CG 2.89Å; L149-K153 PolarHBondContact O-N 3.05Å; L149-L163 HydrophobicContact CD1-CD2 3.49Å; L149-L163 VanDerWaalsContact CD1-CD2 3.49Å; L149-L164 HydrophobicContact CD1-CD2 4.23Å; L149-L164 HydrophobicContact CD2-CD2 4.22Å
150S77Confident76.1Confident69 Ų6966.5 Ų66.548%0.48336%0.364SS..Hα-helixtrans-65-46.6176-166.50000111.3P146 H147 E148 L152 K153 E154P146-S150 PolarHBondContact O-N 3.47Å; P146-S150 VanDerWaalsContact O-N 3.15Å; H147-S150 WeakPolarHBondContact O-CB 3.28Å; H147-S150 PolarHBondContact O-N 2.86Å; E148-S150 VanDerWaalsContact C-N 3.31Å; E148-S150 PolarHBondContact O-N 3.25Å; S150-L152 VanDerWaalsContact C-N 3.31Å; S150-L152 PolarHBondContact O-N 3.4Å; S150-K153 PolarHBondContact O-N 2.75Å; S150-E154 PolarHBondContact O-N 3.32Å; S150-E154 VanDerWaalsContact O-N 3.16Å
151L74.3Confident76.6Confident73 Ų7370.7 Ų70.738%0.38237%0.373SS..Hα-helixtrans-64.9-36.8178.4-172.666.1000111.9H147 E148 E154 R155H147-L151 PolarHBondContact O-N 2.87Å; E148-L151 PolarHBondContact O-N 3.49Å; L151-E154 PolarHBondContact O-N 3.31Å; L151-R155 HydrophobicContact CD1-CG 4.17Å; L151-R155 HydrophobicContact CG-CG 4.5Å; L151-R155 VanDerWaalsContact O-CB 3.31Å; L151-R155 WeakPolarHBondContact O-CB 3.39Å; L151-R155 WeakPolarHBondContact O-CG 3.38Å; L151-R155 PolarHBondContact O-N 3.26Å
152L75.7Confident77Confident27 Ų2768.5 Ų68.514%0.14136%0.362CS..Hα-helixtrans-66.3-40176.1-172.671.6000111.8L142 E148 S150 E154 N156 L159 A160 L163L142-L152 HydrophobicContact CD1-CD2 4.15Å; E148-L152 VanDerWaalsContact O-CB 3.27Å; E148-L152 WeakPolarHBondContact O-CB 3.42Å; E148-L152 PolarHBondContact O-N 3.3Å; S150-L152 VanDerWaalsContact C-N 3.31Å; S150-L152 PolarHBondContact O-N 3.4Å; L152-E154 VanDerWaalsContact C-N 3.31Å; L152-E154 PolarHBondContact O-N 3.28Å; L152-N156 HydrophobicContact CD1-CB 4.05Å; L152-N156 CarbonylContact O-C 3.14Å; L152-N156 VanDerWaalsContact O-CA 3.29Å; L152-N156 WeakPolarHBondContact O-CA 3.24Å; L152-N156 PolarHBondContact O-N 2.58Å; L152-N156 VanDerWaalsContact O-O 3.1Å; L152-L159 HydrophobicContact CD1-CD2 4.1Å; L152-L159 HydrophobicContact CD1-CG 4.44Å; L152-A160 HydrophobicContact CD2-CB 4.24Å; L152-A160 HydrophobicContact CG-CB 4.08Å; L152-L163 HydrophobicContact CD2-CD2 3.81Å
153K77.7Confident77.3Confident101 Ų10167.7 Ų67.744%0.43936%0.358SS..Hα-helixtrans-62.4-39.4175.4-77.3173.2176.5-173.80112.5L149 S150 A160L149-K153 VanDerWaalsContact O-CG 3.31Å; L149-K153 WeakPolarHBondContact O-CG 2.89Å; L149-K153 PolarHBondContact O-N 3.05Å; S150-K153 PolarHBondContact O-N 2.75Å; K153-A160 HydrophobicContact CB-CB 4.32Å; K153-A160 HydrophobicContact CG-CB 3.74Å
154E72.4Confident77.6Confident151 Ų15168.2 Ų68.271%0.70636%0.361SS*.Hα-helixtrans-73.6-43.3180-170.5-178.6169.500111.7S150 L151 L152S150-E154 PolarHBondContact O-N 3.32Å; S150-E154 VanDerWaalsContact O-N 3.16Å; L151-E154 PolarHBondContact O-N 3.31Å; L152-E154 VanDerWaalsContact C-N 3.31Å; L152-E154 PolarHBondContact O-N 3.28Å
155R68Low77.8Confident170 Ų17067.2 Ų67.264%0.64235%0.349SS*.Hα-helixtrans-92.8-20.3-172.6-67.1-168.8158.3-178.9-6.8114.8L151L151-R155 HydrophobicContact CD1-CG 4.17Å; L151-R155 HydrophobicContact CG-CG 4.5Å; L151-R155 VanDerWaalsContact O-CB 3.31Å; L151-R155 WeakPolarHBondContact O-CB 3.39Å; L151-R155 WeakPolarHBondContact O-CG 3.38Å; L151-R155 PolarHBondContact O-N 3.26Å
156N74.4Confident77.6Confident19 Ų1966.7 Ų66.710%0.10236%0.356CS..  trans-153.971.1-174.2-167.6-9000112.2L152 P158 L159 A160 Q178L152-N156 HydrophobicContact CD1-CB 4.05Å; L152-N156 CarbonylContact O-C 3.14Å; L152-N156 VanDerWaalsContact O-CA 3.29Å; L152-N156 WeakPolarHBondContact O-CA 3.24Å; L152-N156 PolarHBondContact O-N 2.58Å; L152-N156 VanDerWaalsContact O-O 3.1Å; N156-P158 VanDerWaalsContact C-CD 3.48Å; N156-L159 HydrophobicContact CB-CB 4.44Å; N156-L159 WeakPolarHBondContact ND2-CB 3.32Å; N156-L159 PolarHBondContact O-N 2.93Å; N156-L159 WeakPolarHBondContact OD1-CB 3.21Å; N156-L159 PolarHBondContact OD1-N 2.87Å; N156-A160 PolarHBondContact O-N 3.33Å; N156-Q178 VanDerWaalsContact ND2-CD 3.31Å; N156-Q178 PolarHBondContact ND2-NE2 2.82Å; N156-Q178 PolarHBondContact ND2-OE1 2.83Å; N156-Q178 PolarHBondContact OD1-NE2 3.45Å
157P81.4Confident77.9Confident65 Ų6565.4 Ų65.442%0.42234%0.344SS..Hα-helixtrans-53.9-43.5-177.7-20.128.3000114.2L159 A160 E161P157-L159 PolarHBondContact O-N 3.47Å; P157-A160 PolarHBondContact O-N 3.02Å; P157-E161 WeakPolarHBondContact O-CG 3.04Å; P157-E161 PolarHBondContact O-N 3.06Å
158P80.1Confident78.1Confident72 Ų7262.2 Ų62.247%0.46833%0.331SS..Hα-helixtrans-61.5-40.4-179.2-25.135000114.1N156 A162N156-P158 VanDerWaalsContact C-CD 3.48Å; P158-A162 WeakPolarHBondContact O-CB 3.4Å; P158-A162 PolarHBondContact O-N 3.49Å; P158-A162 VanDerWaalsContact O-N 3.16Å
159L79.8Confident78.7Confident13 Ų1367.4 Ų67.47%0.06836%0.355CS..Hα-helixtrans-74.2-35.1177.8-173.959.8000111.4L152 N156 P157 A162 L163 F171 V174 L175L152-L159 HydrophobicContact CD1-CD2 4.1Å; L152-L159 HydrophobicContact CD1-CG 4.44Å; N156-L159 HydrophobicContact CB-CB 4.44Å; N156-L159 WeakPolarHBondContact ND2-CB 3.32Å; N156-L159 PolarHBondContact O-N 2.93Å; N156-L159 WeakPolarHBondContact OD1-CB 3.21Å; N156-L159 PolarHBondContact OD1-N 2.87Å; P157-L159 PolarHBondContact O-N 3.47Å; L159-A162 PolarHBondContact O-N 3.47Å; L159-L163 WeakPolarHBondContact O-CB 3.32Å; L159-L163 PolarHBondContact O-N 3.34Å; L159-F171 HydrophobicContact CD1-CD2 3.81Å; L159-F171 HydrophobicContact CD1-CE2 3.52Å; L159-F171 HydrophobicContact CD1-CZ 4.32Å; L159-F171 HydrophobicContact CG-CE2 4.03Å; L159-V174 HydrophobicContact CB-CG1 4.22Å; L159-V174 HydrophobicContact CD1-CB 4.29Å; L159-V174 HydrophobicContact CD1-CG1 3.93Å; L159-L175 HydrophobicContact CD1-CB 4.13Å; L159-L175 HydrophobicContact CD1-CD1 4.05Å; L159-L175 HydrophobicContact CD2-CD1 3.88Å
160A80.9Confident78.8Confident2 Ų269.9 Ų69.92%0.01737%0.365CS..Hα-helixtrans-65.5-41.2174.900000112.5L152 K153 N156 P157 L163 L164L152-A160 HydrophobicContact CD2-CB 4.24Å; L152-A160 HydrophobicContact CG-CB 4.08Å; K153-A160 HydrophobicContact CB-CB 4.32Å; K153-A160 HydrophobicContact CG-CB 3.74Å; N156-A160 PolarHBondContact O-N 3.33Å; P157-A160 PolarHBondContact O-N 3.02Å; A160-L163 WeakPolarHBondContact O-CB 3.35Å; A160-L163 PolarHBondContact O-N 3.07Å; A160-L164 WeakPolarHBondContact O-CB 3.41Å; A160-L164 VanDerWaalsContact O-CG 3.28Å; A160-L164 WeakPolarHBondContact O-CG 3.43Å; A160-L164 PolarHBondContact O-N 2.71Å
161E83.9Confident79Confident128 Ų12866.6 Ų66.660%0.59834%0.342SS*.Hα-helixtrans-65.1-42.6175-75178.8-174.300111.9P157 L163 L164 S165P157-E161 WeakPolarHBondContact O-CG 3.04Å; P157-E161 PolarHBondContact O-N 3.06Å; E161-L163 VanDerWaalsContact C-N 3.3Å; E161-L163 PolarHBondContact O-N 3.39Å; E161-L164 PolarHBondContact O-N 3.45Å; E161-S165 WeakPolarHBondContact O-CB 3.34Å; E161-S165 PolarHBondContact O-N 2.97Å
162A82.4Confident79.3Confident1 Ų164.9 Ų64.91%0.00834%0.336CS..Hα-helixtrans-61.8-40.1175.100000111.3P158 L159 S165 K170 F171 V174P158-A162 WeakPolarHBondContact O-CB 3.4Å; P158-A162 PolarHBondContact O-N 3.49Å; P158-A162 VanDerWaalsContact O-N 3.16Å; L159-A162 PolarHBondContact O-N 3.47Å; A162-S165 PolarHBondContact O-OG 3.49Å; A162-K170 HydrophobicContact CB-CG 4.26Å; A162-F171 HydrophobicContact CB-CB 4.49Å; A162-F171 HydrophobicContact CB-CD2 4.47Å; A162-V174 HydrophobicContact CB-CB 4.18Å; A162-V174 HydrophobicContact CB-CG2 4Å
163L82.2Confident79.7Confident1 Ų170.5 Ų70.51%0.00536%0.356CS..Hα-helixtrans-63.9-47176.2-176.173.9000112.5R139 L142 L143 L149 L152 L159 A160 E161 S165 F171R139-L163 HydrophobicContact CB-CD1 3.84Å; R139-L163 HydrophobicContact CG-CD1 3.6Å; L142-L163 HydrophobicContact CB-CD1 4.29Å; L142-L163 HydrophobicContact CB-CD2 3.69Å; L142-L163 HydrophobicContact CD1-CD1 4.36Å; L142-L163 HydrophobicContact CD1-CD2 4.2Å; L143-L163 HydrophobicContact CD2-CD2 4.41Å; L143-L163 HydrophobicContact CD2-CG 4.22Å; L143-L163 HydrophobicContact CG-CD1 4.33Å; L143-L163 HydrophobicContact CG-CG 4.39Å; L149-L163 HydrophobicContact CD1-CD2 3.49Å; L149-L163 VanDerWaalsContact CD1-CD2 3.49Å; L152-L163 HydrophobicContact CD2-CD2 3.81Å; L159-L163 WeakPolarHBondContact O-CB 3.32Å; L159-L163 PolarHBondContact O-N 3.34Å; A160-L163 WeakPolarHBondContact O-CB 3.35Å; A160-L163 PolarHBondContact O-N 3.07Å; E161-L163 VanDerWaalsContact C-N 3.3Å; E161-L163 PolarHBondContact O-N 3.39Å; L163-S165 VanDerWaalsContact C-N 3.34Å; L163-F171 HydrophobicContact CB-CD2 3.76Å; L163-F171 HydrophobicContact CB-CE2 3.84Å; L163-F171 HydrophobicContact CD1-CD2 3.84Å; L163-F171 HydrophobicContact CD1-CE1 4.44Å; L163-F171 HydrophobicContact CD1-CE2 3.53Å; L163-F171 HydrophobicContact CD1-CG 4.4Å; L163-F171 HydrophobicContact CD1-CZ 3.87Å; L163-F171 HydrophobicContact CG-CD2 4.43Å; L163-F171 HydrophobicContact CG-CE2 4.24Å
164L83.4Confident80Confident87 Ų8766.9 Ų66.946%0.45534%0.342SS..Hα-helixtrans-72.1-25.4-178.7-72.2175000113.6L149 A160 E161 G166L149-L164 HydrophobicContact CD1-CD2 4.23Å; L149-L164 HydrophobicContact CD2-CD2 4.22Å; A160-L164 WeakPolarHBondContact O-CB 3.41Å; A160-L164 VanDerWaalsContact O-CG 3.28Å; A160-L164 WeakPolarHBondContact O-CG 3.43Å; A160-L164 PolarHBondContact O-N 2.71Å; E161-L164 PolarHBondContact O-N 3.45Å; L164-G166 PolarHBondContact O-N 2.89Å
165S82.9Confident80.2Confident60 Ų6060.4 Ų60.442%0.4231%0.312SS..THydrogen-bonded Turntrans-63.2-12.9179730000113.9E161 A162 L163 D167E161-S165 WeakPolarHBondContact O-CB 3.34Å; E161-S165 PolarHBondContact O-N 2.97Å; A162-S165 PolarHBondContact O-OG 3.49Å; L163-S165 VanDerWaalsContact C-N 3.34Å; S165-D167 PolarHBondContact O-N 3.27Å
166G76.9Confident80.8Confident43 Ų4355.2 Ų55.244%0.44330%0.299SS..  trans81.4-12.7179.500000114R139 L164R139-G166 PolarHBondContact NH2-O 2.93Å; L164-G166 PolarHBondContact O-N 2.89Å
167D83.1Confident81Confident75 Ų7559.8 Ų59.840%0.40132%0.32SS..  trans-86.1111.4-176.8-177.8-10.2000111.3S165 E169 K170 F171S165-D167 PolarHBondContact O-N 3.27Å; D167-E169 PolarHBondContact OD1-N 2.83Å; D167-K170 HydrophobicContact CB-CB 3.86Å; D167-K170 PolarHBondContact OD1-N 3.14Å; D167-K170 VanDerWaalsContact OD1-N 3.13Å; D167-K170 WeakPolarHBondContact OD2-CB 3.44Å; D167-F171 WeakPolarHBondContact O-CB 3.44Å; D167-F171 PolarHBondContact O-N 3.03Å
168L77.5Confident80.8Confident79 Ų7959 Ų5941%0.41431%0.31SS..Hα-helixtrans-67.7-35.2-179.6-177.366.2000112.4A136 S172A136-L168 HydrophobicContact CB-CD1 4.11Å; A136-L168 HydrophobicContact CB-CD2 4.27Å; L168-S172 WeakPolarHBondContact O-CB 3.2Å; L168-S172 PolarHBondContact O-N 3.01Å
169E80.8Confident80.4Confident152 Ų15259.9 Ų59.971%0.7131%0.308SS*.Hα-helixtrans-70.8-41.9179.9-68.1-165.9168.400110.7D167 S172 R173D167-E169 PolarHBondContact OD1-N 2.83Å; E169-S172 PolarHBondContact O-N 3.02Å; E169-R173 WeakPolarHBondContact O-CB 3.22Å; E169-R173 PolarHBondContact O-N 3.43Å
170K79.9Confident80.2Confident80 Ų8065.4 Ų65.435%0.34833%0.334SS..Hα-helixtrans-62.2-44.8174.6-171.9177.4-178.9-174.10111.6A162 D167 R173 V174A162-K170 HydrophobicContact CB-CG 4.26Å; D167-K170 HydrophobicContact CB-CB 3.86Å; D167-K170 PolarHBondContact OD1-N 3.14Å; D167-K170 VanDerWaalsContact OD1-N 3.13Å; D167-K170 WeakPolarHBondContact OD2-CB 3.44Å; K170-R173 PolarHBondContact O-N 3.13Å; K170-V174 WeakPolarHBondContact O-CG2 3.33Å; K170-V174 PolarHBondContact O-N 3.09Å
171F81.9Confident79.8Confident0 Ų067.5 Ų67.50%035%0.345CS..Hα-helixtrans-60.9-47175.7178.7-105000112.2P135 L138 R139 L142 L159 A162 L163 D167 R173 V174 L175P135-F171 HydrophobicContact CB-CD1 4.34Å; P135-F171 HydrophobicContact CB-CE1 4.45Å; P135-F171 WeakPolarHBondContact O-CE1 3.23Å; L138-F171 HydrophobicContact CD2-CE1 4.39Å; L138-F171 HydrophobicContact CD2-CZ 4.15Å; R139-F171 HydrophobicContact CB-CD1 3.99Å; R139-F171 HydrophobicContact CB-CE1 3.82Å; R139-F171 HydrophobicContact CB-CZ 4.43Å; L142-F171 HydrophobicContact CD1-CE2 4.43Å; L142-F171 HydrophobicContact CD1-CZ 4.02Å; L159-F171 HydrophobicContact CD1-CD2 3.81Å; L159-F171 HydrophobicContact CD1-CE2 3.52Å; L159-F171 HydrophobicContact CD1-CZ 4.32Å; L159-F171 HydrophobicContact CG-CE2 4.03Å; A162-F171 HydrophobicContact CB-CB 4.49Å; A162-F171 HydrophobicContact CB-CD2 4.47Å; L163-F171 HydrophobicContact CB-CD2 3.76Å; L163-F171 HydrophobicContact CB-CE2 3.84Å; L163-F171 HydrophobicContact CD1-CD2 3.84Å; L163-F171 HydrophobicContact CD1-CE1 4.44Å; L163-F171 HydrophobicContact CD1-CE2 3.53Å; L163-F171 HydrophobicContact CD1-CG 4.4Å; L163-F171 HydrophobicContact CD1-CZ 3.87Å; L163-F171 HydrophobicContact CG-CD2 4.43Å; L163-F171 HydrophobicContact CG-CE2 4.24Å; D167-F171 WeakPolarHBondContact O-CB 3.44Å; D167-F171 PolarHBondContact O-N 3.03Å; F171-R173 VanDerWaalsContact C-N 3.34Å; F171-R173 PolarHBondContact O-N 3.46Å; F171-V174 PolarHBondContact O-N 2.82Å; F171-L175 HydrophobicContact CZ-CD1 4.37Å; F171-L175 WeakPolarHBondContact O-CB 3.33Å; F171-L175 PolarHBondContact O-N 2.85Å
172S80.6Confident79Confident36 Ų3665 Ų6525%0.25233%0.33SS..Hα-helixtrans-61.2-41.6179-172.60000112.3L168 E169 L175 V176L168-S172 WeakPolarHBondContact O-CB 3.2Å; L168-S172 PolarHBondContact O-N 3.01Å; E169-S172 PolarHBondContact O-N 3.02Å; S172-L175 PolarHBondContact O-N 2.8Å; S172-V176 VanDerWaalsContact O-CG2 3.28Å; S172-V176 WeakPolarHBondContact O-CG2 3.46Å; S172-V176 PolarHBondContact O-N 3.02Å
173R83.9Confident78.4Confident146 Ų14667.4 Ų67.455%0.55135%0.349SS*.Hα-helixtrans-62.5-49.5179-177.9173.761.7-116.90.9111.6E169 K170 F171 L175 V176 E177E169-R173 WeakPolarHBondContact O-CB 3.22Å; E169-R173 PolarHBondContact O-N 3.43Å; K170-R173 PolarHBondContact O-N 3.13Å; F171-R173 VanDerWaalsContact C-N 3.34Å; F171-R173 PolarHBondContact O-N 3.46Å; R173-L175 VanDerWaalsContact C-N 3.32Å; R173-L175 PolarHBondContact O-N 2.86Å; R173-V176 PolarHBondContact O-N 2.9Å; R173-E177 WeakPolarHBondContact O-CB 3.35Å; R173-E177 PolarHBondContact O-N 2.85Å
174V82.6Confident78.2Confident24 Ų2473.6 Ų73.615%0.14537%0.373CS..Hα-helixtrans-65-37.3-179.71770000111.3L159 A162 K170 F171 Q178L159-V174 HydrophobicContact CB-CG1 4.22Å; L159-V174 HydrophobicContact CD1-CB 4.29Å; L159-V174 HydrophobicContact CD1-CG1 3.93Å; A162-V174 HydrophobicContact CB-CB 4.18Å; A162-V174 HydrophobicContact CB-CG2 4Å; K170-V174 WeakPolarHBondContact O-CG2 3.33Å; K170-V174 PolarHBondContact O-N 3.09Å; F171-V174 PolarHBondContact O-N 2.82Å; V174-Q178 WeakPolarHBondContact O-CB 3.35Å; V174-Q178 WeakPolarHBondContact O-CG 3.48Å; V174-Q178 PolarHBondContact O-N 2.85Å
175L78.2Confident77.5Confident16 Ų1675.4 Ų75.48%0.08437%0.373CS..Hα-helixtrans-63.1-47.4176.2-170.780.5000111.9P135 L138 L159 F171 S172 R173 Q178 Q179P135-L175 HydrophobicContact CB-CD2 4.38Å; L138-L175 HydrophobicContact CD2-CD1 3.52Å; L138-L175 HydrophobicContact CD2-CD2 3.63Å; L138-L175 HydrophobicContact CD2-CG 4.23Å; L159-L175 HydrophobicContact CD1-CB 4.13Å; L159-L175 HydrophobicContact CD1-CD1 4.05Å; L159-L175 HydrophobicContact CD2-CD1 3.88Å; F171-L175 HydrophobicContact CZ-CD1 4.37Å; F171-L175 WeakPolarHBondContact O-CB 3.33Å; F171-L175 PolarHBondContact O-N 2.85Å; S172-L175 PolarHBondContact O-N 2.8Å; R173-L175 VanDerWaalsContact C-N 3.32Å; R173-L175 PolarHBondContact O-N 2.86Å; L175-Q178 PolarHBondContact O-N 2.88Å; L175-Q179 WeakPolarHBondContact O-CG 3.19Å; L175-Q179 PolarHBondContact O-N 2.78Å
176V79.6Confident76.4Confident61 Ų6178.4 Ų78.437%0.3738%0.381SS..Hα-helixtrans-65.1-43.4179.81700000111S172 R173 Q178 Q179 Q180S172-V176 VanDerWaalsContact O-CG2 3.28Å; S172-V176 WeakPolarHBondContact O-CG2 3.46Å; S172-V176 PolarHBondContact O-N 3.02Å; R173-V176 PolarHBondContact O-N 2.9Å; V176-Q178 VanDerWaalsContact C-N 3.34Å; V176-Q178 PolarHBondContact O-N 2.98Å; V176-Q179 PolarHBondContact O-N 2.82Å; V176-Q180 HydrophobicContact CG1-CG 4.44Å; V176-Q180 WeakPolarHBondContact O-CB 3.43Å; V176-Q180 VanDerWaalsContact O-CG 3.32Å; V176-Q180 WeakPolarHBondContact O-CG 3.46Å; V176-Q180 PolarHBondContact O-N 3.08Å
177E79.9Confident76Confident115 Ų11582 Ų8254%0.53739%0.386SS..Hα-helixtrans-59.4-45176.7-174172.3-164.100111.3R173 Q180 D181R173-E177 WeakPolarHBondContact O-CB 3.35Å; R173-E177 PolarHBondContact O-N 2.85Å; E177-Q180 PolarHBondContact O-N 3.42Å; E177-D181 WeakPolarHBondContact O-CB 3.29Å; E177-D181 PolarHBondContact O-N 3.49Å
178Q76Confident75.2Confident47 Ų4783.4 Ų83.422%0.2239%0.39CS..Hα-helixtrans-67.7-36.4176.7-76.7-147.79.100114.6N156 V174 L175 V176 R182N156-Q178 VanDerWaalsContact ND2-CD 3.31Å; N156-Q178 PolarHBondContact ND2-NE2 2.82Å; N156-Q178 PolarHBondContact ND2-OE1 2.83Å; N156-Q178 PolarHBondContact OD1-NE2 3.45Å; V174-Q178 WeakPolarHBondContact O-CB 3.35Å; V174-Q178 WeakPolarHBondContact O-CG 3.48Å; V174-Q178 PolarHBondContact O-N 2.85Å; L175-Q178 PolarHBondContact O-N 2.88Å; V176-Q178 VanDerWaalsContact C-N 3.34Å; V176-Q178 PolarHBondContact O-N 2.98Å; Q178-R182 WeakPolarHBondContact O-CB 3.3Å; Q178-R182 WeakPolarHBondContact O-CG 3.5Å; Q178-R182 PolarHBondContact O-N 2.87Å
179Q71.9Confident74.4Confident92 Ų9287.5 Ų87.543%0.4340%0.4SS..Hα-helixtrans-64.9-41.8174.3-75.9178.9-4.300111.1L175 V176 R182 A183L175-Q179 WeakPolarHBondContact O-CG 3.19Å; L175-Q179 PolarHBondContact O-N 2.78Å; V176-Q179 PolarHBondContact O-N 2.82Å; Q179-R182 PolarHBondContact O-N 3.42Å; Q179-A183 WeakPolarHBondContact O-CB 3.49Å; Q179-A183 PolarHBondContact O-N 2.92Å
180Q75Confident73.4Confident129 Ų12984.9 Ų84.960%0.60339%0.39SS*.Hα-helixtrans-65.7-42.8176.4-73177.64.200112.1V176 E177 R182 A183 R184V176-Q180 HydrophobicContact CG1-CG 4.44Å; V176-Q180 WeakPolarHBondContact O-CB 3.43Å; V176-Q180 VanDerWaalsContact O-CG 3.32Å; V176-Q180 WeakPolarHBondContact O-CG 3.46Å; V176-Q180 PolarHBondContact O-N 3.08Å; E177-Q180 PolarHBondContact O-N 3.42Å; Q180-R182 VanDerWaalsContact C-N 3.34Å; Q180-R182 PolarHBondContact O-N 2.74Å; Q180-A183 PolarHBondContact O-N 3.28Å; Q180-R184 WeakPolarHBondContact O-CB 3.4Å; Q180-R184 PolarHBondContact O-N 3.23Å
181D73.1Confident72.7Confident46 Ų4689.4 Ų89.425%0.24641%0.405CS..Hα-helixtrans-64.6-37.1176.7-105.211.1000112.5E177 R184 R185E177-D181 WeakPolarHBondContact O-CB 3.29Å; E177-D181 PolarHBondContact O-N 3.49Å; D181-R184 IonicContact OD1-CZ 3.44Å; D181-R184 VanDerWaalsContact OD1-CZ 3.29Å; D181-R184 IonicContact OD1-NH1 2.79Å; D181-R184 PolarHBondContact OD1-NH1 2.7Å; D181-R184 IonicContact OD1-NH2 3.29Å; D181-R184 PolarHBondContact OD1-NH2 2.66Å; D181-R185 WeakPolarHBondContact O-CG 3.33Å; D181-R185 PolarHBondContact O-N 3.3Å; D181-R185 VanDerWaalsContact O-N 3.14Å; D181-R185 IonicContact OD2-NH1 3.78Å; D181-R185 IonicContact OD2-NH2 3.87Å
182R66.5Low71.5Confident76 Ų7693 Ų9329%0.28742%0.424SS..Hα-helixtrans-65.7-49171.3-81.4-172.2-171.8-149.18.4111.6A100 Q178 Q179 Q180 R184 R185 E186A100-R182 PolarHBondContact O-NH1 3.29Å; Q178-R182 WeakPolarHBondContact O-CB 3.3Å; Q178-R182 WeakPolarHBondContact O-CG 3.5Å; Q178-R182 PolarHBondContact O-N 2.87Å; Q179-R182 PolarHBondContact O-N 3.42Å; Q180-R182 VanDerWaalsContact C-N 3.34Å; Q180-R182 PolarHBondContact O-N 2.74Å; R182-R184 VanDerWaalsContact C-N 3.25Å; R182-R184 PolarHBondContact O-N 3.2Å; R182-R185 PolarHBondContact O-N 2.71Å; R182-E186 VanDerWaalsContact O-CB 3.31Å; R182-E186 WeakPolarHBondContact O-CB 3.06Å; R182-E186 PolarHBondContact O-N 2.96Å
183A70.8Confident70.2Confident50 Ų5099.4 Ų99.441%0.41345%0.447SS..Hα-helixtrans-58.1-41.1178.800000110.9Q179 Q180 E186 Q187Q179-A183 WeakPolarHBondContact O-CB 3.49Å; Q179-A183 PolarHBondContact O-N 2.92Å; Q180-A183 PolarHBondContact O-N 3.28Å; A183-E186 PolarHBondContact O-N 3Å; A183-Q187 WeakPolarHBondContact O-CB 3.36Å; A183-Q187 PolarHBondContact O-N 3.3Å
184R76.8Confident69Low131 Ų13196.5 Ų96.549%0.49445%0.45SS..Hα-helixtrans-61.6-51.5176-171.8175.570.8-135.4-11.7112Q180 D181 R182 E186 Q187 E188Q180-R184 WeakPolarHBondContact O-CB 3.4Å; Q180-R184 PolarHBondContact O-N 3.23Å; D181-R184 IonicContact OD1-CZ 3.44Å; D181-R184 VanDerWaalsContact OD1-CZ 3.29Å; D181-R184 IonicContact OD1-NH1 2.79Å; D181-R184 PolarHBondContact OD1-NH1 2.7Å; D181-R184 IonicContact OD1-NH2 3.29Å; D181-R184 PolarHBondContact OD1-NH2 2.66Å; R182-R184 VanDerWaalsContact C-N 3.25Å; R182-R184 PolarHBondContact O-N 3.2Å; R184-E186 VanDerWaalsContact C-N 3.34Å; R184-E186 PolarHBondContact O-N 3.33Å; R184-Q187 PolarHBondContact O-N 3.44Å; R184-E188 WeakPolarHBondContact O-CG 3.46Å; R184-E188 PolarHBondContact O-N 3.43Å
185R70.2Confident67.4Low126 Ų12696.9 Ų96.948%0.47546%0.455SS..Hα-helixtrans-62.8-40.2179.1-71.8-175.9-171100.6-0.6112.2D181 R182 E188 R189D181-R185 WeakPolarHBondContact O-CG 3.33Å; D181-R185 PolarHBondContact O-N 3.3Å; D181-R185 VanDerWaalsContact O-N 3.14Å; D181-R185 IonicContact OD2-NH1 3.78Å; D181-R185 IonicContact OD2-NH2 3.87Å; R182-R185 PolarHBondContact O-N 2.71Å; R185-E188 PolarHBondContact O-N 3Å; R185-R189 WeakPolarHBondContact O-CB 3.48Å; R185-R189 PolarHBondContact O-N 3.41Å
186E59.9Low66.4Low123 Ų123101 Ų10158%0.57548%0.477SS*.Hα-helixtrans-67.6-40177.8-174.3155.4-160.400111.2R182 A183 R184 R189 I190R182-E186 VanDerWaalsContact O-CB 3.31Å; R182-E186 WeakPolarHBondContact O-CB 3.06Å; R182-E186 PolarHBondContact O-N 2.96Å; A183-E186 PolarHBondContact O-N 3Å; R184-E186 VanDerWaalsContact C-N 3.34Å; R184-E186 PolarHBondContact O-N 3.33Å; E186-R189 PolarHBondContact O-N 2.94Å; E186-I190 HydrophobicContact CG-CD1 3.94Å; E186-I190 WeakPolarHBondContact O-CB 3.44Å; E186-I190 WeakPolarHBondContact O-CG1 3.4Å; E186-I190 PolarHBondContact O-N 2.65Å
187Q68.3Low65.3Low118 Ų118103 Ų10355%0.55149%0.492SS*.Hα-helixtrans-69.9-34.6177.1-160.7163.516.800112.7A183 R184 R191A183-Q187 WeakPolarHBondContact O-CB 3.36Å; A183-Q187 PolarHBondContact O-N 3.3Å; R184-Q187 PolarHBondContact O-N 3.44Å; Q187-R191 WeakPolarHBondContact O-CB 3.16Å; Q187-R191 WeakPolarHBondContact O-CG 3.41Å; Q187-R191 PolarHBondContact O-N 3Å
188E66.4Low64.3Low105 Ų105105.7 Ų105.749%0.49150%0.502SS..Hα-helixtrans-64.2-44.1169-77.8169.9-173.500111.8R184 R185 R191 L192R184-E188 WeakPolarHBondContact O-CG 3.46Å; R184-E188 PolarHBondContact O-N 3.43Å; R185-E188 PolarHBondContact O-N 3Å; E188-R191 PolarHBondContact O-N 2.74Å; E188-L192 PolarHBondContact O-N 3.03Å
189R60.4Low64Low165 Ų165106.7 Ų106.762%0.62351%0.509SS*.Hα-helixtrans-64.2-42.8177.1-150.8-175.689.4115.95111.6R185 E186 L192 F193R185-R189 WeakPolarHBondContact O-CB 3.48Å; R185-R189 PolarHBondContact O-N 3.41Å; E186-R189 PolarHBondContact O-N 2.94Å; R189-L192 PolarHBondContact O-N 3.22Å; R189-F193 HydrophobicContact CG-CD2 4.31Å; R189-F193 HydrophobicContact CG-CE2 4.44Å; R189-F193 WeakPolarHBondContact O-CD2 3.36Å; R189-F193 PolarHBondContact O-N 3.39Å
190I59.9Low63.9Low96 Ų96109 Ų10949%0.49252%0.523SS..Hα-helixtrans-63.6-42.8175.4-69.8164.9000110.1E186 L192 F193 S194E186-I190 HydrophobicContact CG-CD1 3.94Å; E186-I190 WeakPolarHBondContact O-CB 3.44Å; E186-I190 WeakPolarHBondContact O-CG1 3.4Å; E186-I190 PolarHBondContact O-N 2.65Å; I190-L192 VanDerWaalsContact C-N 3.32Å; I190-L192 PolarHBondContact O-N 2.83Å; I190-F193 CarbonylContact O-C 3.55Å; I190-F193 PolarHBondContact O-N 2.76Å; I190-S194 WeakPolarHBondContact O-CB 3.26Å; I190-S194 PolarHBondContact O-N 3.28Å; I190-S194 PolarHBondContact O-OG 3.03Å
191R64.5Low63.9Low176 Ų176110.5 Ų110.566%0.66453%0.53SS*.Hα-helixtrans-59.7-40.5175.3-82-179.4-179.1-179.92.1112.8Q187 E188 S194 A195Q187-R191 WeakPolarHBondContact O-CB 3.16Å; Q187-R191 WeakPolarHBondContact O-CG 3.41Å; Q187-R191 PolarHBondContact O-N 3Å; E188-R191 PolarHBondContact O-N 2.74Å; R191-S194 WeakPolarHBondContact CA-OG 3.49Å; R191-S194 PolarHBondContact O-N 2.96Å; R191-S194 PolarHBondContact O-OG 2.86Å; R191-A195 WeakPolarHBondContact O-CB 3.33Å; R191-A195 PolarHBondContact O-N 2.93Å
192L56.9Low63.8Low76 Ų76108.9 Ų108.940%0.39852%0.523SS..Hα-helixtrans-65.4-38.8175.2-107.3146.8000112.8E188 R189 I190 K205E188-L192 PolarHBondContact O-N 3.03Å; R189-L192 PolarHBondContact O-N 3.22Å; I190-L192 VanDerWaalsContact C-N 3.32Å; I190-L192 PolarHBondContact O-N 2.83Å; L192-K205 HydrophobicContact CD1-CD 4.31Å; L192-K205 HydrophobicContact CD2-CD 3.82Å
193F52.6Low64Low169 Ų169110 Ų11074%0.74153%0.531SS*.Hα-helixtrans-80.8-21.3176.6-91.2-82.2000113.9R189 I190R189-F193 HydrophobicContact CG-CD2 4.31Å; R189-F193 HydrophobicContact CG-CE2 4.44Å; R189-F193 WeakPolarHBondContact O-CD2 3.36Å; R189-F193 PolarHBondContact O-N 3.39Å; I190-F193 CarbonylContact O-C 3.55Å; I190-F193 PolarHBondContact O-N 2.76Å
194S59.2Low64.5Low86 Ų86110.2 Ų110.260%0.60153%0.533SS*.SBendtrans-98.3-217976.90000113.2I190 R191I190-S194 WeakPolarHBondContact O-CB 3.26Å; I190-S194 PolarHBondContact O-N 3.28Å; I190-S194 PolarHBondContact O-OG 3.03Å; R191-S194 WeakPolarHBondContact CA-OG 3.49Å; R191-S194 PolarHBondContact O-N 2.96Å; R191-S194 PolarHBondContact O-OG 2.86Å
195A49.5Very low64.8Low31 Ų31109 Ų10926%0.25653%0.532SS..SBendtrans-67.2146.1173.800000110R191 D199 A202R191-A195 WeakPolarHBondContact O-CB 3.33Å; R191-A195 PolarHBondContact O-N 2.93Å; A195-D199 HydrophobicContact CB-CB 4.34Å; A195-A202 HydrophobicContact CB-CB 4.48Å
196D57.3Low65.1Low104 Ų104107.7 Ų107.756%0.55653%0.533SS*.  trans-49.9134.1179-170.3-24.9000110.7F198 D199D196-F198 PolarHBondContact O-N 3.21Å; D196-F198 WeakPolarHBondContact OD1-CD2 3.42Å; D196-F198 PolarHBondContact OD1-N 3.47Å; D196-D199 WeakPolarHBondContact O-CB 3.43Å; D196-D199 PolarHBondContact O-N 3.14Å
197P56.7Low66.3Low103 Ų103108.6 Ų108.667%0.66954%0.537SS*.THydrogen-bonded Turntrans-51-15.2175.4-28.433.5000116Q203P197-Q203 PolarHBondContact O-NE2 2.59Å
198F57.6Low67Low171 Ų171106.5 Ų106.575%0.7553%0.528SS*.THydrogen-bonded Turntrans-102.210.2177-60.7-74.9000114.8D196 L200D196-F198 PolarHBondContact O-N 3.21Å; D196-F198 WeakPolarHBondContact OD1-CD2 3.42Å; D196-F198 PolarHBondContact OD1-N 3.47Å; F198-L200 PolarHBondContact O-N 2.99Å
199D70.5Confident67.7Low68 Ų68105.8 Ų105.836%0.36453%0.527SS..  trans-73.5114.4174.7-167.7-2.6000110.8A195 D196 E201 A202 Q203A195-D199 HydrophobicContact CB-CB 4.34Å; D196-D199 WeakPolarHBondContact O-CB 3.43Å; D196-D199 PolarHBondContact O-N 3.14Å; D199-E201 VanDerWaalsContact C-N 3.26Å; D199-E201 PolarHBondContact O-N 3.36Å; D199-E201 PolarHBondContact OD1-N 2.8Å; D199-A202 HydrophobicContact CB-CB 4.12Å; D199-A202 PolarHBondContact O-N 2.96Å; D199-Q203 PolarHBondContact O-N 3.03Å
200L69.5Low69Low140 Ų140101.9 Ų101.973%0.73352%0.518SS*.Hα-helixtrans-62.4-33-175.7-73.8167.3000112.3F198 A204F198-L200 PolarHBondContact O-N 2.99Å; L200-A204 WeakPolarHBondContact O-CB 3.48Å; L200-A204 PolarHBondContact O-N 2.95Å
201E75.8Confident70.5Confident161 Ų161103.3 Ų103.375%0.75252%0.517SS*.Hα-helixtrans-75.3-37.6-178.5-165.4171.4-177.800111.4D199 K205D199-E201 VanDerWaalsContact C-N 3.26Å; D199-E201 PolarHBondContact O-N 3.36Å; D199-E201 PolarHBondContact OD1-N 2.8Å; E201-K205 PolarHBondContact O-N 3.17Å; E201-K205 VanDerWaalsContact O-N 3.14Å
202A69.8Low71.6Confident12 Ų1298.5 Ų98.510%0.09950%0.502CS..Hα-helixtrans-67.1-41.8173.100000111.7A195 D199 K205 I206A195-A202 HydrophobicContact CB-CB 4.48Å; D199-A202 HydrophobicContact CB-CB 4.12Å; D199-A202 PolarHBondContact O-N 2.96Å; A202-K205 PolarHBondContact O-N 2.79Å; A202-I206 WeakPolarHBondContact O-CD1 3.26Å; A202-I206 VanDerWaalsContact O-CG1 3.23Å; A202-I206 WeakPolarHBondContact O-CG1 3.28Å; A202-I206 PolarHBondContact O-N 3.04Å
203Q71.5Confident73Confident99 Ų9998.7 Ų98.746%0.46350%0.501SS..Hα-helixtrans-62.9-43.4175.2-82.1-178.6-4.500112.6P197 D199 K205 I206 E207P197-Q203 PolarHBondContact O-NE2 2.59Å; D199-Q203 PolarHBondContact O-N 3.03Å; Q203-K205 VanDerWaalsContact C-N 3.3Å; Q203-K205 PolarHBondContact O-N 3.26Å; Q203-I206 PolarHBondContact O-N 3.39Å; Q203-E207 WeakPolarHBondContact O-CB 3.49Å; Q203-E207 PolarHBondContact O-N 3.47Å
204A82.1Confident74.7Confident55 Ų5595.1 Ų95.146%0.45549%0.489SS..Hα-helixtrans-62-38.7177.200000112.1L200 E207 E208L200-A204 WeakPolarHBondContact O-CB 3.48Å; L200-A204 PolarHBondContact O-N 2.95Å; A204-E207 PolarHBondContact O-N 2.95Å; A204-E208 PolarHBondContact O-N 2.93Å
205K82.3Confident76.2Confident105 Ų10594.8 Ų94.846%0.45748%0.48SS..Hα-helixtrans-68.9-39.8176.9-167.6169.3-176.4172.30112.5L192 E201 A202 Q203 E207 E208 D209L192-K205 HydrophobicContact CD1-CD 4.31Å; L192-K205 HydrophobicContact CD2-CD 3.82Å; E201-K205 PolarHBondContact O-N 3.17Å; E201-K205 VanDerWaalsContact O-N 3.14Å; A202-K205 PolarHBondContact O-N 2.79Å; Q203-K205 VanDerWaalsContact C-N 3.3Å; Q203-K205 PolarHBondContact O-N 3.26Å; K205-E207 VanDerWaalsContact C-N 3.33Å; K205-E208 PolarHBondContact O-N 3.38Å; K205-D209 WeakPolarHBondContact O-CB 3.38Å; K205-D209 PolarHBondContact O-N 3.36Å
206I76Confident77.9Confident98 Ų9898.7 Ų98.750%0.50349%0.493SS..Hα-helixtrans-63.9-41174.2-68163.7000110.6A202 Q203 D209 I210A202-I206 WeakPolarHBondContact O-CD1 3.26Å; A202-I206 VanDerWaalsContact O-CG1 3.23Å; A202-I206 WeakPolarHBondContact O-CG1 3.28Å; A202-I206 PolarHBondContact O-N 3.04Å; Q203-I206 PolarHBondContact O-N 3.39Å; I206-D209 PolarHBondContact O-N 2.96Å; I206-I210 HydrophobicContact CG2-CD1 3.83Å; I206-I210 VanDerWaalsContact O-CG1 3.25Å; I206-I210 WeakPolarHBondContact O-CG1 3.37Å; I206-I210 PolarHBondContact O-N 2.95Å
207E84.7Confident79.4Confident142 Ų14299.3 Ų99.366%0.66449%0.492SS*.Hα-helixtrans-61.9-45.8176.4-176.4178.5-179.200111.8Q203 A204 K205 I210 R211Q203-E207 WeakPolarHBondContact O-CB 3.49Å; Q203-E207 PolarHBondContact O-N 3.47Å; A204-E207 PolarHBondContact O-N 2.95Å; K205-E207 VanDerWaalsContact C-N 3.33Å; E207-I210 PolarHBondContact O-N 3.47Å; E207-R211 WeakPolarHBondContact O-CB 3.3Å; E207-R211 PolarHBondContact O-N 3.22Å
208E84.5Confident81Confident75 Ų7599.5 Ų99.535%0.3549%0.488SS..Hα-helixtrans-64.8-42177.6-176.258-158.600111.9A204 K205 I210 R211 Q212A204-E208 PolarHBondContact O-N 2.93Å; K205-E208 PolarHBondContact O-N 3.38Å; E208-I210 VanDerWaalsContact C-N 3.32Å; E208-I210 PolarHBondContact O-N 2.95Å; E208-R211 WeakPolarHBondContact O-CB 3.41Å; E208-R211 PolarHBondContact O-N 3.25Å; E208-R211 VanDerWaalsContact O-N 3.15Å; E208-R211 IonicContact OE1-CZ 3.18Å; E208-R211 IonicContact OE1-NE 2.97Å; E208-R211 PolarHBondContact OE1-NE 3.45Å; E208-R211 IonicContact OE1-NH2 2.8Å; E208-R211 PolarHBondContact OE1-NH2 3Å; E208-R211 IonicContact OE2-CZ 2.72Å; E208-R211 IonicContact OE2-NE 3.29Å; E208-R211 PolarHBondContact OE2-NE 3.16Å; E208-R211 IonicContact OE2-NH2 3.77Å; E208-R211 PolarHBondContact OE2-NH2 3.4Å; E208-Q212 WeakPolarHBondContact O-CG 3.24Å; E208-Q212 PolarHBondContact O-N 2.89Å; E208-Q212 PolarHBondContact OE1-NE2 2.9Å
209D81.3Confident82.1Confident89 Ų8996 Ų9648%0.47648%0.475SS..Hα-helixtrans-61.2-40.5176.2-76.8-11.2000111.6K205 I206 Q213K205-D209 WeakPolarHBondContact O-CB 3.38Å; K205-D209 PolarHBondContact O-N 3.36Å; I206-D209 PolarHBondContact O-N 2.96Å; D209-Q213 WeakPolarHBondContact O-CG 3.37Å; D209-Q213 PolarHBondContact O-N 2.72Å
210I86.9Confident82.7Confident83 Ų8396.2 Ų96.243%0.42648%0.479SS..Hα-helixtrans-66.7-40.6174.9-69.4166.7000110.7I206 E207 E208 Q213 N214I206-I210 HydrophobicContact CG2-CD1 3.83Å; I206-I210 VanDerWaalsContact O-CG1 3.25Å; I206-I210 WeakPolarHBondContact O-CG1 3.37Å; I206-I210 PolarHBondContact O-N 2.95Å; E207-I210 PolarHBondContact O-N 3.47Å; E208-I210 VanDerWaalsContact C-N 3.32Å; E208-I210 PolarHBondContact O-N 2.95Å; I210-Q213 PolarHBondContact O-N 3.4Å; I210-N214 VanDerWaalsContact O-CG 3.22Å; I210-N214 PolarHBondContact O-N 3.15Å; I210-N214 PolarHBondContact O-ND2 3.4Å
211R91.5Very high83.5Confident127 Ų12794.2 Ų94.248%0.47947%0.468SS..Hα-helixtrans-61.1-46.9178-168.9-179.177.1101.52.9110.9E207 E208 N214 I215E207-R211 WeakPolarHBondContact O-CB 3.3Å; E207-R211 PolarHBondContact O-N 3.22Å; E208-R211 WeakPolarHBondContact O-CB 3.41Å; E208-R211 PolarHBondContact O-N 3.25Å; E208-R211 VanDerWaalsContact O-N 3.15Å; E208-R211 IonicContact OE1-CZ 3.18Å; E208-R211 IonicContact OE1-NE 2.97Å; E208-R211 PolarHBondContact OE1-NE 3.45Å; E208-R211 IonicContact OE1-NH2 2.8Å; E208-R211 PolarHBondContact OE1-NH2 3Å; E208-R211 IonicContact OE2-CZ 2.72Å; E208-R211 IonicContact OE2-NE 3.29Å; E208-R211 PolarHBondContact OE2-NE 3.16Å; E208-R211 IonicContact OE2-NH2 3.77Å; E208-R211 PolarHBondContact OE2-NH2 3.4Å; R211-N214 PolarHBondContact O-N 3.41Å; R211-I215 HydrophobicContact CG-CD1 4.18Å; R211-I215 VanDerWaalsContact O-CG1 3.28Å; R211-I215 WeakPolarHBondContact O-CG1 3.41Å; R211-I215 PolarHBondContact O-N 3.43Å
212Q87.5Confident83.8Confident74 Ų7487.8 Ų87.835%0.34644%0.443SS..Hα-helixtrans-62-45.4176.9-68.6-64.9-20.700111.4E208 N214 I215 E216E208-Q212 WeakPolarHBondContact O-CG 3.24Å; E208-Q212 PolarHBondContact O-N 2.89Å; E208-Q212 PolarHBondContact OE1-NE2 2.9Å; Q212-N214 VanDerWaalsContact C-N 3.34Å; Q212-N214 PolarHBondContact O-N 2.98Å; Q212-I215 WeakPolarHBondContact O-CB 3.37Å; Q212-I215 PolarHBondContact O-N 3.01Å; Q212-I215 VanDerWaalsContact O-N 3.11Å; Q212-E216 WeakPolarHBondContact O-CG 3.44Å; Q212-E216 PolarHBondContact O-N 3.01Å
213Q86.3Confident84.2Confident81 Ų8192.5 Ų92.538%0.37946%0.464SS..Hα-helixtrans-57.5-45.1175.3-79.1174.81.900112.4D209 I210 I215 E216 E217D209-Q213 WeakPolarHBondContact O-CG 3.37Å; D209-Q213 PolarHBondContact O-N 2.72Å; I210-Q213 PolarHBondContact O-N 3.4Å; Q213-I215 VanDerWaalsContact C-N 3.29Å; Q213-I215 PolarHBondContact O-N 3.41Å; Q213-E216 PolarHBondContact O-N 3.41Å; Q213-E217 WeakPolarHBondContact O-CB 3.41Å; Q213-E217 WeakPolarHBondContact O-CG 3.42Å; Q213-E217 PolarHBondContact O-N 3.37Å
214N89Confident84.4Confident94 Ų9494.7 Ų94.750%0.50347%0.474SS..Hα-helixtrans-63.5-36.3177.6-69.3-21.7000112.2I210 R211 Q212 N218I210-N214 VanDerWaalsContact O-CG 3.22Å; I210-N214 PolarHBondContact O-N 3.15Å; I210-N214 PolarHBondContact O-ND2 3.4Å; R211-N214 PolarHBondContact O-N 3.41Å; Q212-N214 VanDerWaalsContact C-N 3.34Å; Q212-N214 PolarHBondContact O-N 2.98Å; N214-N218 VanDerWaalsContact O-CB 3.22Å; N214-N218 WeakPolarHBondContact O-CB 3.49Å; N214-N218 PolarHBondContact O-N 3.45Å
215I89.4Confident84.5Confident78 Ų7899.7 Ų99.740%0.449%0.488SS..Hα-helixtrans-67-46.5176.2-68.5164.9000110.2R211 Q212 Q213 N218 M219R211-I215 HydrophobicContact CG-CD1 4.18Å; R211-I215 VanDerWaalsContact O-CG1 3.28Å; R211-I215 WeakPolarHBondContact O-CG1 3.41Å; R211-I215 PolarHBondContact O-N 3.43Å; Q212-I215 WeakPolarHBondContact O-CB 3.37Å; Q212-I215 PolarHBondContact O-N 3.01Å; Q212-I215 VanDerWaalsContact O-N 3.11Å; Q213-I215 VanDerWaalsContact C-N 3.29Å; Q213-I215 PolarHBondContact O-N 3.41Å; I215-N218 PolarHBondContact O-N 3.28Å; I215-M219 WeakPolarHBondContact O-CB 3.23Å; I215-M219 PolarHBondContact O-N 2.89Å
216E85.6Confident84.1Confident113 Ų11396.2 Ų96.253%0.52848%0.479SS..Hα-helixtrans-63.6-44.5178.4-74.4179.6175.700112.3Q212 Q213 M219 T220Q212-E216 WeakPolarHBondContact O-CG 3.44Å; Q212-E216 PolarHBondContact O-N 3.01Å; Q213-E216 PolarHBondContact O-N 3.41Å; E216-M219 PolarHBondContact O-N 3.04Å; E216-T220 WeakPolarHBondContact O-CB 3.47Å; E216-T220 PolarHBondContact O-N 3.34Å; E216-T220 PolarHBondContact O-OG1 3.2Å
217E88.2Confident83.8Confident117 Ų11795 Ų9555%0.54748%0.478SS..Hα-helixtrans-61.4-47.6175.8-76.3-179.6-174.700110.8Q213 M219 T220 I221Q213-E217 WeakPolarHBondContact O-CB 3.41Å; Q213-E217 WeakPolarHBondContact O-CG 3.42Å; Q213-E217 PolarHBondContact O-N 3.37Å; E217-M219 VanDerWaalsContact C-N 3.31Å; E217-M219 PolarHBondContact O-N 3.34Å; E217-T220 PolarHBondContact O-N 2.89Å; E217-I221 VanDerWaalsContact O-CG1 3.28Å; E217-I221 WeakPolarHBondContact O-CG1 3.45Å; E217-I221 PolarHBondContact O-N 3.02Å
218N90.1Very high83Confident108 Ų10895.8 Ų95.858%0.57848%0.481SS*.Hα-helixtrans-61.4-39.2176.6179.670.9000112.2N214 I215 A222N214-N218 VanDerWaalsContact O-CB 3.22Å; N214-N218 WeakPolarHBondContact O-CB 3.49Å; N214-N218 PolarHBondContact O-N 3.45Å; I215-N218 PolarHBondContact O-N 3.28Å; N218-A222 WeakPolarHBondContact O-CB 3.26Å; N218-A222 PolarHBondContact O-N 3.14Å
219M81.8Confident82.1Confident96 Ų9696.6 Ų96.647%0.47350%0.495SS..Hα-helixtrans-65.2-41.7175.9-176.4157.166.500111.7I215 E216 E217 A222 M223 F230I215-M219 WeakPolarHBondContact O-CB 3.23Å; I215-M219 PolarHBondContact O-N 2.89Å; E216-M219 PolarHBondContact O-N 3.04Å; E217-M219 VanDerWaalsContact C-N 3.31Å; E217-M219 PolarHBondContact O-N 3.34Å; M219-A222 PolarHBondContact O-N 3.4Å; M219-M223 WeakPolarHBondContact O-CG 3.33Å; M219-M223 PolarHBondContact O-N 3.29Å; M219-F230 HydrophobicContact CG-CE1 4.35Å; M219-F230 HydrophobicContact CG-CZ 4.36Å
220T83.3Confident81.3Confident74 Ų7497.2 Ų97.245%0.45449%0.494SS..Hα-helixtrans-62.1-47.9176.9-54.60000110.7E216 E217 A222 M223 E224E216-T220 WeakPolarHBondContact O-CB 3.47Å; E216-T220 PolarHBondContact O-N 3.34Å; E216-T220 PolarHBondContact O-OG1 3.2Å; E217-T220 PolarHBondContact O-N 2.89Å; T220-A222 VanDerWaalsContact C-N 3.31Å; T220-A222 PolarHBondContact O-N 3.08Å; T220-M223 PolarHBondContact O-N 3.16Å; T220-M223 VanDerWaalsContact O-N 3.14Å; T220-E224 PolarHBondContact O-N 2.92Å
221I85.8Confident80Confident97 Ų9795.3 Ų95.350%0.49750%0.495SS..Hα-helixtrans-58.4-45.1175.6-67.4163.2000110.4E217 M223 E224 E225E217-I221 VanDerWaalsContact O-CG1 3.28Å; E217-I221 WeakPolarHBondContact O-CG1 3.45Å; E217-I221 PolarHBondContact O-N 3.02Å; I221-M223 VanDerWaalsContact C-N 3.31Å; I221-M223 PolarHBondContact O-N 2.88Å; I221-E224 PolarHBondContact O-N 3.42Å; I221-E225 HydrophobicContact CG2-CG 4.12Å; I221-E225 WeakPolarHBondContact O-CB 3.33Å; I221-E225 PolarHBondContact O-N 3.14Å
222A81.7Confident78.8Confident27 Ų2795 Ų9522%0.22350%0.499CS..Hα-helixtrans-63.1-38.5178.800000111.8N218 M219 T220 E224 A226 F230N218-A222 WeakPolarHBondContact O-CB 3.26Å; N218-A222 PolarHBondContact O-N 3.14Å; M219-A222 PolarHBondContact O-N 3.4Å; T220-A222 VanDerWaalsContact C-N 3.31Å; T220-A222 PolarHBondContact O-N 3.08Å; A222-E224 VanDerWaalsContact C-N 3.34Å; A222-A226 CarbonylContact O-C 3.51Å; A222-A226 WeakPolarHBondContact O-CA 3.39Å; A222-A226 PolarHBondContact O-N 3.29Å; A222-F230 HydrophobicContact CB-CE2 3.64Å; A222-F230 HydrophobicContact CB-CZ 3.69Å; A222-F230 WeakPolarHBondContact O-CE2 3.38Å
223M78.8Confident78.4Confident111 Ų11197.4 Ų97.455%0.54752%0.518SS..Hα-helixtrans-66.2-35.3177.1-77.6-178.9144.500112.5M219 T220 I221 F230M219-M223 WeakPolarHBondContact O-CG 3.33Å; M219-M223 PolarHBondContact O-N 3.29Å; T220-M223 PolarHBondContact O-N 3.16Å; T220-M223 VanDerWaalsContact O-N 3.14Å; I221-M223 VanDerWaalsContact C-N 3.31Å; I221-M223 PolarHBondContact O-N 2.88Å; M223-F230 HydrophobicContact CB-CE2 4.36Å; M223-F230 HydrophobicContact CG-CD1 4.48Å; M223-F230 HydrophobicContact CG-CD2 4.16Å; M223-F230 HydrophobicContact CG-CE1 4.1Å; M223-F230 HydrophobicContact CG-CE2 3.78Å; M223-F230 HydrophobicContact CG-CZ 3.72Å
224E76.4Confident78.3Confident145 Ų14596.4 Ų96.468%0.67852%0.518SS*.Hα-helixtrans-77.9-48.3178.4-69.6-179.2169.200112.3T220 I221 A222T220-E224 PolarHBondContact O-N 2.92Å; I221-E224 PolarHBondContact O-N 3.42Å; A222-E224 VanDerWaalsContact C-N 3.34Å
225E83.1Confident78.4Confident159 Ų15995 Ų9574%0.74351%0.509SS*.Hα-helixtrans-87.4-29.4-171.6-68.3-69.5147.200113.4I221I221-E225 HydrophobicContact CG2-CG 4.12Å; I221-E225 WeakPolarHBondContact O-CB 3.33Å; I221-E225 PolarHBondContact O-N 3.14Å
226A74.3Confident78.7Confident33 Ų3393.2 Ų93.227%0.27350%0.5SS..  trans-140.960.5-175.500000111.8A222 E228 S229A222-A226 CarbonylContact O-C 3.51Å; A222-A226 WeakPolarHBondContact O-CA 3.39Å; A222-A226 PolarHBondContact O-N 3.29Å; A226-E228 PolarHBondContact O-N 3.39Å; A226-E228 VanDerWaalsContact O-N 3.08Å; A226-S229 WeakPolarHBondContact CB-OG 3.22Å; A226-S229 VanDerWaalsContact O-CB 3.26Å; A226-S229 WeakPolarHBondContact O-CB 3.46Å; A226-S229 PolarHBondContact O-N 2.87Å; A226-S229 PolarHBondContact O-OG 3.21Å
227P70.2Confident79.2Confident73 Ų7388 Ų8847%0.47448%0.475SS..G310 helixtrans-56.7-28.8178.824.4-34.6000112.1S229 F230 G231P227-S229 PolarHBondContact O-N 3.3Å; P227-F230 PolarHBondContact O-N 2.89Å; P227-G231 PolarHBondContact O-N 2.85Å
228E68.2Low79.7Confident158 Ų15882.5 Ų82.574%0.73845%0.45SS*.G310 helixtrans-55.5-30.8173.9-34.8-71.3177.300112.9A226 F230 G231A226-E228 PolarHBondContact O-N 3.39Å; A226-E228 VanDerWaalsContact O-N 3.08Å; E228-F230 PolarHBondContact O-N 2.93Å; E228-G231 PolarHBondContact O-N 3.42Å; E228-G231 VanDerWaalsContact O-N 3.16Å
229S65.6Low80.1Confident92 Ų9280.7 Ų80.764%0.64344%0.44SS*.G310 helixtrans-67.9-19.5179.1-52.40000112.6A226 P227A226-S229 WeakPolarHBondContact CB-OG 3.22Å; A226-S229 VanDerWaalsContact O-CB 3.26Å; A226-S229 WeakPolarHBondContact O-CB 3.46Å; A226-S229 PolarHBondContact O-N 2.87Å; A226-S229 PolarHBondContact O-OG 3.21Å; P227-S229 PolarHBondContact O-N 3.3Å
230F63.3Low80.8Confident102 Ų10276.4 Ų76.445%0.44742%0.419SS..G310 helixtrans-99.1-12176.9-60.8-90.9000112.2M219 A222 M223 P227 E228M219-F230 HydrophobicContact CG-CE1 4.35Å; M219-F230 HydrophobicContact CG-CZ 4.36Å; A222-F230 HydrophobicContact CB-CE2 3.64Å; A222-F230 HydrophobicContact CB-CZ 3.69Å; A222-F230 WeakPolarHBondContact O-CE2 3.38Å; M223-F230 HydrophobicContact CB-CE2 4.36Å; M223-F230 HydrophobicContact CG-CD1 4.48Å; M223-F230 HydrophobicContact CG-CD2 4.16Å; M223-F230 HydrophobicContact CG-CE1 4.1Å; M223-F230 HydrophobicContact CG-CE2 3.78Å; M223-F230 HydrophobicContact CG-CZ 3.72Å; P227-F230 PolarHBondContact O-N 2.89Å; E228-F230 PolarHBondContact O-N 2.93Å
231G59.8Low81.6Confident43 Ų4377.4 Ų77.444%0.44342%0.417SS..SBendtrans-77141.1174.300000111.9P227 E228 V233P227-G231 PolarHBondContact O-N 2.85Å; E228-G231 PolarHBondContact O-N 3.42Å; E228-G231 VanDerWaalsContact O-N 3.16Å; G231-V233 PolarHBondContact O-N 3.29Å
232Q67Low82.1Confident120 Ų12072.9 Ų72.956%0.56139%0.394SS*.  trans-71.7120.9170.3-68.4-179.5-1.100109.3V234 Y366Q232-V234 PolarHBondContact O-N 2.89Å; Q232-Y366 PolarHBondContact NE2-O 3.43Å
233V77.7Confident82.8Confident124 Ų12475.4 Ų75.475%0.75240%0.404SS*.  trans-78.9115.7177.8-177.50000109.4G231 M235G231-V233 PolarHBondContact O-N 3.29Å; V233-M235 PolarHBondContact O-N 3.39Å
234V84.8Confident83.6Confident61 Ų6172.8 Ų72.837%0.3741%0.406SS..  trans-64.7126.8177.7-175.60000109.9Q232 E355 L358Q232-V234 PolarHBondContact O-N 2.89Å; V234-E355 HydrophobicContact CG1-CB 4.31Å; V234-E355 HydrophobicContact CG2-CB 4.04Å; V234-E355 HydrophobicContact CG2-CG 4.3Å; V234-L358 HydrophobicContact CG1-CD1 3.61Å; V234-L358 HydrophobicContact CG1-CG 4.37Å
235M91.6Very high84.6Confident65 Ų6569.3 Ų69.332%0.3239%0.389SS..  trans-71.4148.9179.6-62.5-58.6-77.400111.8V233 Y237 F250V233-M235 PolarHBondContact O-N 3.39Å; M235-Y237 HydrophobicContact CB-CD2 4.23Å; M235-Y237 HydrophobicContact CB-CE2 3.92Å; M235-Y237 PolarHBondContact O-N 3.11Å; M235-F250 HydrophobicContact CB-CE2 4.03Å; M235-F250 HydrophobicContact CE-CE2 3.5Å; M235-F250 HydrophobicContact CE-CZ 3.41Å; M235-F250 VanDerWaalsContact CE-CZ 3.41Å
236L95.5Very high85.3Confident40 Ų4066 Ų6621%0.20938%0.382CS..  trans-78.7111.2-175.7-55.7178.9000111.4F250 V251 I334 L336 F352L236-F250 WeakPolarHBondContact O-CD2 3.41Å; L236-V251 HydrophobicContact CB-CB 4.08Å; L236-V251 PolarHBondContact O-N 2.9Å; L236-I334 HydrophobicContact CD1-CG2 3.78Å; L236-L336 HydrophobicContact CD1-CD2 3.97Å; L236-L336 HydrophobicContact CD2-CD2 3.84Å; L236-F352 HydrophobicContact CB-CD1 3.97Å; L236-F352 HydrophobicContact CB-CE1 3.97Å; L236-F352 HydrophobicContact CD1-CZ 4.31Å; L236-F352 HydrophobicContact CD2-CD1 4.27Å; L236-F352 HydrophobicContact CD2-CD2 3.98Å; L236-F352 HydrophobicContact CD2-CE1 4.48Å; L236-F352 HydrophobicContact CD2-CE2 4.21Å; L236-F352 HydrophobicContact CD2-CG 4.05Å; L236-F352 HydrophobicContact CD2-CZ 4.47Å
237Y97Very high86.4Confident4 Ų464.5 Ų64.52%0.01637%0.369CS..EExtended strand (participates in β ladder)trans-123.4150.1172.6-79.6-103.8000111M235 K248 A249 F250 F352 L353 L358 P359 A362M235-Y237 HydrophobicContact CB-CD2 4.23Å; M235-Y237 HydrophobicContact CB-CE2 3.92Å; M235-Y237 PolarHBondContact O-N 3.11Å; Y237-K248 HydrophobicContact CD1-CB 4.17Å; Y237-A249 VanDerWaalsContact CA-O 3.31Å; Y237-A249 WeakPolarHBondContact CA-O 3.35Å; Y237-F250 HydrophobicContact CD1-CB 4.21Å; Y237-F250 HydrophobicContact CD2-CD2 4.05Å; Y237-F250 HydrophobicContact CE1-CB 3.63Å; Y237-F250 HydrophobicContact CE1-CD2 4.48Å; Y237-F250 HydrophobicContact CE1-CG 4.45Å; Y237-F250 HydrophobicContact CE2-CB 4.23Å; Y237-F250 AromaticContact CE2-CD2 3.53Å; Y237-F250 HydrophobicContact CE2-CD2 3.53Å; Y237-F250 HydrophobicContact CE2-CE2 4.35Å; Y237-F250 HydrophobicContact CE2-CG 4.21Å; Y237-F250 AromaticContact CZ-CD2 3.77Å; Y237-F250 AromaticContact CZ-CG 3.97Å; Y237-F352 CarbonylContact O-C 3.53Å; Y237-F352 VanDerWaalsContact O-CA 3.24Å; Y237-F352 WeakPolarHBondContact O-CA 3.25Å; Y237-L353 PolarHBondContact O-N 3.04Å; Y237-L358 HydrophobicContact CD2-CD2 3.28Å; Y237-L358 HydrophobicContact CE2-CD2 4Å; Y237-L358 HydrophobicContact CG-CD2 3.65Å; Y237-P359 HydrophobicContact CD1-CG 4.17Å; Y237-P359 HydrophobicContact CE1-CG 3.82Å; Y237-A362 HydrophobicContact CE2-CB 3.68Å
238I97.8Very high87.6Confident1 Ų164.3 Ų64.31%0.00536%0.361CS..EExtended strand (participates in β ladder)trans-128.6153.1171.658.9161.3000110.7K248 A249 V251 I301 L322 L341 T350 F352I238-K248 WeakPolarHBondContact O-CA 3.28Å; I238-A249 HydrophobicContact CG1-CB 4.12Å; I238-A249 PolarHBondContact N-O 3.01Å; I238-A249 PolarHBondContact O-N 2.87Å; I238-V251 HydrophobicContact CG1-CG2 4.07Å; I238-V251 HydrophobicContact CG2-CG2 4.2Å; I238-I301 HydrophobicContact CD1-CD1 3.81Å; I238-I301 HydrophobicContact CD1-CG1 4.44Å; I238-L322 HydrophobicContact CD1-CD2 4.47Å; I238-L341 HydrophobicContact CD1-CD2 3.74Å; I238-L341 HydrophobicContact CG2-CB 4.17Å; I238-L341 HydrophobicContact CG2-CD2 4.47Å; I238-T350 HydrophobicContact CB-CG2 4Å; I238-T350 HydrophobicContact CD1-CG2 4.11Å; I238-T350 HydrophobicContact CG2-CG2 3.73Å; I238-F352 HydrophobicContact CG2-CD1 3.61Å; I238-F352 HydrophobicContact CG2-CE1 3.82Å
239N97.9Very high89Confident70 Ų7056.9 Ų56.937%0.37433%0.326SS..EExtended strand (participates in β ladder)trans-78.9132.6166.7-75.6-41.3000109.7L353N239-L353 VanDerWaalsContact ND2-CD2 3.32Å; N239-L353 WeakPolarHBondContact ND2-CD2 3.42Å
240C97.7Very high90.5Very high6 Ų653.5 Ų53.54%0.04130%0.3CS..EExtended strand (participates in β ladder)trans-142174.2168.668.70000110.1V247 V299 Q300 I301C240-V247 PolarHBondContact N-O 2.98Å; C240-V247 PolarHBondContact O-N 3.38Å; C240-V247 VanDerWaalsContact O-O 3.09Å; C240-V247 PolarHBondContact SG-O 3.26Å; C240-V299 HydrophobicContact CB-CG1 3.99Å; C240-Q300 CarbonylContact C-O 3.54Å; C240-Q300 WeakPolarHBondContact CA-O 3.36Å; C240-Q300 VanDerWaalsContact CB-O 3.25Å; C240-Q300 WeakPolarHBondContact CB-O 3.47Å; C240-I301 HydrophobicContact CB-CG1 4.01Å
241K98.4Very high92.1Very high95 Ų9548.9 Ų48.941%0.41328%0.28SS..EExtended strand (participates in β ladder)trans-128.9140.9171.5-57.4173.5-179.5171.40110.7H245 Q300K241-H245 CarbonylContact C-O 3.54Å; K241-H245 WeakPolarHBondContact CA-O 3.32Å; K241-H245 WeakPolarHBondContact CB-O 3.33Å; K241-Q300 HydrophobicContact CB-CB 4.11Å; K241-Q300 PolarHBondContact N-O 3.34Å; K241-Q300 PolarHBondContact O-N 2.94Å
242V97.8Very high93.8Very high1 Ų149.1 Ų49.11%0.00627%0.271CS..EExtended strand (participates in β ladder)trans-122.5120.4172.9-178.90000107.2G244 H245 V247 M260 C268 I270 V299 M320V242-G244 PolarHBondContact O-N 3.03Å; V242-G244 VanDerWaalsContact O-N 3.16Å; V242-H245 PolarHBondContact N-O 3.33Å; V242-H245 PolarHBondContact O-N 2.88Å; V242-V247 HydrophobicContact CB-CG2 4.44Å; V242-V247 HydrophobicContact CG2-CG2 4.28Å; V242-M260 HydrophobicContact CB-CE 4.48Å; V242-M260 HydrophobicContact CG1-CE 4.29Å; V242-M260 HydrophobicContact CG2-CE 3.91Å; V242-C268 HydrophobicContact CB-CB 4.24Å; V242-C268 HydrophobicContact CG1-CB 4.14Å; V242-I270 HydrophobicContact CG1-CD1 3.96Å; V242-I270 HydrophobicContact CG1-CG2 4.29Å; V242-V299 HydrophobicContact CG2-CG1 4.5Å; V242-V299 HydrophobicContact CG2-CG2 4.31Å; V242-M320 HydrophobicContact CG2-SD 4.47Å
243N96.2Very high95.2Very high81 Ų8146.7 Ų46.743%0.43327%0.267SS..THydrogen-bonded Turntrans52.536.1-174.6-16740.9000113H245 C268 I270N243-H245 VanDerWaalsContact C-N 3.29Å; N243-H245 PolarHBondContact O-CD2 3.01Å; N243-H245 PolarHBondContact O-N 3.34Å; N243-C268 VanDerWaalsContact CB-O 3.32Å; N243-C268 WeakPolarHBondContact CB-O 3.46Å; N243-C268 PolarHBondContact ND2-O 3.37Å; N243-I270 HydrophobicContact CB-CG2 3.94Å
244G94.7Very high95.9Very high56 Ų5644.1 Ų44.158%0.57727%0.266SS*.THydrogen-bonded Turntrans82.9-10.7-178.800000115.7V242V242-G244 PolarHBondContact O-N 3.03Å; V242-G244 VanDerWaalsContact O-N 3.16Å
245H97.6Very high96.2Very high71 Ų7142 Ų4233%0.32926%0.255SS..EExtended strand (participates in β ladder)trans-86.3133.3178.4-65.3-92.8000111.1K241 V242 N243 R267 C268K241-H245 CarbonylContact C-O 3.54Å; K241-H245 WeakPolarHBondContact CA-O 3.32Å; K241-H245 WeakPolarHBondContact CB-O 3.33Å; V242-H245 PolarHBondContact N-O 3.33Å; V242-H245 PolarHBondContact O-N 2.88Å; N243-H245 VanDerWaalsContact C-N 3.29Å; N243-H245 PolarHBondContact O-CD2 3.01Å; N243-H245 PolarHBondContact O-N 3.34Å; H245-R267 PolarHBondContact CE1-O 2.95Å; H245-R267 PolarHBondContact ND1-O 3.02Å; H245-C268 HydrophobicContact CB-CB 4.43Å
246P97.5Very high96.2Very high91 Ų9146.8 Ų46.859%0.59128%0.277SS*.EExtended strand (participates in β ladder)trans-68.3138.3178.429.1-34.3000111.4R267P246-R267 PolarHBondContact O-NH1 3.36Å
247V97.3Very high96.1Very high1 Ų148.1 Ų48.11%0.00628%0.283CS..EExtended strand (participates in β ladder)trans-139.1138.1179.8177.40000108.3C240 V242 D319 M320C240-V247 PolarHBondContact N-O 2.98Å; C240-V247 PolarHBondContact O-N 3.38Å; C240-V247 VanDerWaalsContact O-O 3.09Å; C240-V247 PolarHBondContact SG-O 3.26Å; V242-V247 HydrophobicContact CB-CG2 4.44Å; V242-V247 HydrophobicContact CG2-CG2 4.28Å; V247-D319 HydrophobicContact CG1-CB 3.92Å; V247-M320 HydrophobicContact CG1-CB 3.73Å; V247-M320 HydrophobicContact CG1-SD 4.45Å
248K96.7Very high96Very high68 Ų6848 Ų4830%0.29628%0.282SS..EExtended strand (participates in β ladder)trans-97.4111.6170-66.4-178.9178.3175.50107.9Y237 I238 L353 E357 P359Y237-K248 HydrophobicContact CD1-CB 4.17Å; I238-K248 WeakPolarHBondContact O-CA 3.28Å; K248-L353 HydrophobicContact CB-CD1 4.37Å; K248-L353 HydrophobicContact CD-CD1 3.77Å; K248-L353 HydrophobicContact CG-CD1 3.91Å; K248-E357 WeakPolarHBondContact CE-O 3.46Å; K248-E357 PolarHBondContact NZ-O 3.11Å; K248-P359 HydrophobicContact CB-CG 4.16Å; K248-P359 HydrophobicContact CD-CG 4.06Å
249A96.9Very high95.9Very high2 Ų249.2 Ų49.22%0.01729%0.289CS..EExtended strand (participates in β ladder)trans-96.6125.1-178.100000110.2Y237 I238 M320Y237-A249 VanDerWaalsContact CA-O 3.31Å; Y237-A249 WeakPolarHBondContact CA-O 3.35Å; I238-A249 HydrophobicContact CG1-CB 4.12Å; I238-A249 PolarHBondContact N-O 3.01Å; I238-A249 PolarHBondContact O-N 2.87Å; A249-M320 WeakPolarHBondContact CA-O 3.47Å; A249-M320 HydrophobicContact CB-CB 4.24Å; A249-M320 HydrophobicContact CB-CG 4.26Å; A249-M320 HydrophobicContact CB-SD 4.44Å
250F97.1Very high95.9Very high21 Ų2145.9 Ų45.99%0.09227%0.271CS..EExtended strand (participates in β ladder)trans-73.9126.3171.1177.1-129.7000109.6M235 L236 Y237 D252 M318 M320 L321 L322M235-F250 HydrophobicContact CB-CE2 4.03Å; M235-F250 HydrophobicContact CE-CE2 3.5Å; M235-F250 HydrophobicContact CE-CZ 3.41Å; M235-F250 VanDerWaalsContact CE-CZ 3.41Å; L236-F250 WeakPolarHBondContact O-CD2 3.41Å; Y237-F250 HydrophobicContact CD1-CB 4.21Å; Y237-F250 HydrophobicContact CD2-CD2 4.05Å; Y237-F250 HydrophobicContact CE1-CB 3.63Å; Y237-F250 HydrophobicContact CE1-CD2 4.48Å; Y237-F250 HydrophobicContact CE1-CG 4.45Å; Y237-F250 HydrophobicContact CE2-CB 4.23Å; Y237-F250 AromaticContact CE2-CD2 3.53Å; Y237-F250 HydrophobicContact CE2-CD2 3.53Å; Y237-F250 HydrophobicContact CE2-CE2 4.35Å; Y237-F250 HydrophobicContact CE2-CG 4.21Å; Y237-F250 AromaticContact CZ-CD2 3.77Å; Y237-F250 AromaticContact CZ-CG 3.97Å; F250-D252 HydrophobicContact CD1-CB 4.08Å; F250-D252 HydrophobicContact CE1-CB 3.62Å; F250-D252 HydrophobicContact CZ-CB 4.06Å; F250-M318 HydrophobicContact CB-CE 4.35Å; F250-M318 HydrophobicContact CB-CG 4.29Å; F250-M318 HydrophobicContact CD1-CE 3.79Å; F250-M318 HydrophobicContact CE1-CE 4.4Å; F250-M318 HydrophobicContact CG-CE 4.15Å; F250-M320 PolarHBondContact N-O 3.36Å; F250-L321 HydrophobicContact CD1-CD1 3.85Å; F250-L321 HydrophobicContact CD1-CG 3.88Å; F250-L321 HydrophobicContact CE1-CD1 4.23Å; F250-L321 CarbonylContact O-C 3.59Å; F250-L321 WeakPolarHBondContact O-CA 3.39Å; F250-L322 PolarHBondContact O-N 2.97Å
251V97.3Very high95.8Very high6 Ų645.8 Ų45.84%0.03627%0.27CS..EExtended strand (participates in β ladder)trans-97.1112.8-177.8-178.90000109.7L236 I238 L327 I334 L341 F352L236-V251 HydrophobicContact CB-CB 4.08Å; L236-V251 PolarHBondContact O-N 2.9Å; I238-V251 HydrophobicContact CG1-CG2 4.07Å; I238-V251 HydrophobicContact CG2-CG2 4.2Å; V251-L327 HydrophobicContact CG1-CD1 4.29Å; V251-L327 HydrophobicContact CG1-CD2 4.17Å; V251-I334 HydrophobicContact CG1-CD1 3.86Å; V251-I334 HydrophobicContact CG1-CG1 4.27Å; V251-L341 HydrophobicContact CG1-CD1 4.46Å; V251-F352 HydrophobicContact CB-CE1 4.41Å; V251-F352 HydrophobicContact CG2-CE1 4.13Å
252D95.6Very high95.7Very high47 Ų4743.4 Ų43.425%0.25126%0.261SS..  trans-133.7102.8-174-173.6-5.4000111.4F250 G254 A255 L321 L322 G323F250-D252 HydrophobicContact CD1-CB 4.08Å; F250-D252 HydrophobicContact CE1-CB 3.62Å; F250-D252 HydrophobicContact CZ-CB 4.06Å; D252-G254 PolarHBondContact O-N 2.85Å; D252-G254 VanDerWaalsContact OD1-CA 3.28Å; D252-G254 WeakPolarHBondContact OD1-CA 3.49Å; D252-G254 PolarHBondContact OD1-N 2.91Å; D252-A255 HydrophobicContact CB-CB 4.11Å; D252-A255 PolarHBondContact O-N 3.45Å; D252-A255 PolarHBondContact OD1-N 3.42Å; D252-L321 HydrophobicContact CB-CD1 4.42Å; D252-L321 HydrophobicContact CB-CD2 4.12Å; D252-L321 HydrophobicContact CB-CG 4.21Å; D252-L322 PolarHBondContact N-O 3.31Å; D252-G323 WeakPolarHBondContact O-CA 3.49Å
253S95.8Very high95.6Very high69 Ų6946.4 Ų46.448%0.48329%0.285SS..THydrogen-bonded Turntrans-72.2-16174.657.90000113.7
254G93.7Very high95.7Very high70 Ų7042.5 Ų42.572%0.72227%0.265SS*.THydrogen-bonded Turntrans-79.4-22.2175.700000113.1D252D252-G254 PolarHBondContact O-N 2.85Å; D252-G254 VanDerWaalsContact OD1-CA 3.28Å; D252-G254 WeakPolarHBondContact OD1-CA 3.49Å; D252-G254 PolarHBondContact OD1-N 2.91Å
255A91.1Very high95.8Very high18 Ų1839.9 Ų39.915%0.14924%0.237CC..  trans-80.1126.8175.300000111.9D252 M257 L321 L324D252-A255 HydrophobicContact CB-CB 4.11Å; D252-A255 PolarHBondContact O-N 3.45Å; D252-A255 PolarHBondContact OD1-N 3.42Å; A255-M257 VanDerWaalsContact C-N 3.35Å; A255-M257 PolarHBondContact O-N 2.94Å; A255-L321 HydrophobicContact CB-CD1 4.39Å; A255-L321 HydrophobicContact CB-CD2 3.49Å; A255-L321 VanDerWaalsContact CB-CD2 3.49Å; A255-L324 VanDerWaalsContact O-CB 3.29Å; A255-L324 WeakPolarHBondContact O-CB 3.43Å; A255-L324 PolarHBondContact O-N 3.06Å
256Q91.1Very high95.8Very high165 Ų16541.3 Ų41.377%0.77124%0.244SC*.SBendtrans-68-33.8177.7-176.1178.2-2.400112.9D325Q256-D325 WeakPolarHBondContact O-CB 3.45Å; Q256-D325 PolarHBondContact O-N 2.93Å
257M92.1Very high95.8Very high68 Ų6841.7 Ų41.734%0.33523%0.234SC..SBendtrans-122.7143.1-173.4-62-168.9-5400111.7A255 D325A255-M257 VanDerWaalsContact C-N 3.35Å; A255-M257 PolarHBondContact O-N 2.94Å; M257-D325 WeakPolarHBondContact CA-OD2 3.43Å
258T96.3Very high95.8Very high0 Ų041.6 Ų41.60%023%0.234CC..  trans-76.6135.1167.1-640000109.9F310 S311 M320 L321 L322 G323 D325 M326T258-F310 HydrophobicContact CG2-CB 3.66Å; T258-F310 HydrophobicContact CG2-CG 4.43Å; T258-F310 VanDerWaalsContact O-CA 3.29Å; T258-F310 WeakPolarHBondContact O-CA 3.33Å; T258-F310 VanDerWaalsContact O-CB 3.24Å; T258-F310 WeakPolarHBondContact O-CB 3.46Å; T258-S311 PolarHBondContact O-N 3.32Å; T258-S311 VanDerWaalsContact O-N 3.11Å; T258-M320 HydrophobicContact CG2-CE 3.76Å; T258-L321 CarbonylContact C-O 3.53Å; T258-L321 VanDerWaalsContact CA-O 3.28Å; T258-L321 WeakPolarHBondContact CA-O 3.32Å; T258-L321 WeakPolarHBondContact CG2-O 3.34Å; T258-L322 HydrophobicContact CG2-CD1 4.2Å; T258-G323 PolarHBondContact OG1-N 3.45Å; T258-D325 WeakPolarHBondContact CB-OD1 3.43Å; T258-D325 VanDerWaalsContact N-CG 3.29Å; T258-D325 PolarHBondContact N-OD1 2.98Å; T258-D325 PolarHBondContact N-OD2 3.18Å; T258-D325 PolarHBondContact OG1-OD1 3.15Å; T258-M326 HydrophobicContact CG2-CG 4.01Å; T258-M326 WeakPolarHBondContact OG1-CB 3.17Å; T258-M326 WeakPolarHBondContact OG1-CG 3.19Å
259I95.5Very high95.9Very high27 Ų2743.4 Ų43.414%0.13825%0.246CC..EExtended strand (participates in β ladder)trans-134.9146-172.3-57.1161.5000109.9S311 L313 M320 L321I259-S311 WeakPolarHBondContact CA-O 3.45Å; I259-S311 WeakPolarHBondContact CG2-O 3.19Å; I259-L313 HydrophobicContact CD1-CD1 4.07Å; I259-L313 HydrophobicContact CG2-CB 4.05Å; I259-L313 HydrophobicContact CG2-CD1 3.47Å; I259-L313 VanDerWaalsContact CG2-CD1 3.47Å; I259-L313 HydrophobicContact CG2-CG 3.56Å; I259-M320 WeakPolarHBondContact O-CA 3.44Å; I259-L321 PolarHBondContact N-O 2.94Å; I259-L321 PolarHBondContact O-N 2.83Å
260M97.3Very high95.9Very high0 Ų043.5 Ų43.50%025%0.247CC..EExtended strand (participates in β ladder)trans-128.6142.6172-177.3177.6-72.200110.2V242 C264 A265 I270 F310 S311 I312 L313 D319 M320V242-M260 HydrophobicContact CB-CE 4.48Å; V242-M260 HydrophobicContact CG1-CE 4.29Å; V242-M260 HydrophobicContact CG2-CE 3.91Å; M260-C264 HydrophobicContact CG-CB 3.83Å; M260-C264 HydrophobicContact SD-CB 4.42Å; M260-A265 HydrophobicContact SD-CB 4.19Å; M260-I270 HydrophobicContact CE-CD1 4.44Å; M260-I270 HydrophobicContact SD-CD1 3.71Å; M260-F310 HydrophobicContact CB-CD2 3.74Å; M260-F310 HydrophobicContact CB-CE2 3.95Å; M260-F310 HydrophobicContact CE-CD2 4.37Å; M260-F310 HydrophobicContact CE-CE1 4.38Å; M260-F310 HydrophobicContact CE-CE2 3.68Å; M260-F310 HydrophobicContact CE-CZ 3.69Å; M260-F310 HydrophobicContact CG-CE2 4.45Å; M260-F310 HydrophobicContact SD-CD2 4.42Å; M260-F310 HydrophobicContact SD-CE2 3.66Å; M260-F310 HydrophobicContact SD-CZ 4.16Å; M260-S311 PolarHBondContact N-O 2.83Å; M260-I312 HydrophobicContact CB-CD1 3.84Å; M260-I312 HydrophobicContact CG-CD1 4.38Å; M260-I312 VanDerWaalsContact O-CA 3.27Å; M260-I312 WeakPolarHBondContact O-CA 3.25Å; M260-L313 PolarHBondContact O-N 3.31Å; M260-D319 WeakPolarHBondContact CA-O 2.99Å; M260-D319 WeakPolarHBondContact CG-O 3.42Å; M260-M320 HydrophobicContact CE-CE 4.29Å; M260-M320 HydrophobicContact CE-CG 4.24Å; M260-M320 HydrophobicContact CE-SD 3.59Å; M260-M320 VanDerWaalsContact CE-SD 3.59Å
261S95.9Very high95.9Very high5 Ų544.7 Ų44.74%0.03525%0.253CS..EExtended strand (participates in β ladder)trans-70.5151.6175.175.30000111.3A263 C264 A265 L313 D319S261-A263 VanDerWaalsContact C-N 3.29Å; S261-A263 PolarHBondContact O-N 3.06Å; S261-C264 PolarHBondContact O-N 3.14Å; S261-C264 WeakPolarHBondContact OG-CB 3.16Å; S261-C264 PolarHBondContact OG-N 2.81Å; S261-A265 PolarHBondContact O-N 2.68Å; S261-L313 CarbonylContact C-O 3.5Å; S261-D319 PolarHBondContact N-O 3.25Å
262Q96.3Very high95.9Very high44 Ų4453.3 Ų53.321%0.20629%0.285CS..Hα-helixtrans-58.7-43.1174.6178.7178.1-22.300111.1C264 A265 E266 M271 I312 L313Q262-C264 VanDerWaalsContact C-N 3.3Å; Q262-C264 PolarHBondContact O-N 3.07Å; Q262-A265 PolarHBondContact O-N 3.19Å; Q262-A265 VanDerWaalsContact O-N 3.15Å; Q262-E266 HydrophobicContact CG-CG 4.45Å; Q262-E266 WeakPolarHBondContact CG-OE1 3.4Å; Q262-E266 PolarHBondContact NE2-OE1 3.12Å; Q262-E266 WeakPolarHBondContact O-CG 3.3Å; Q262-E266 PolarHBondContact O-N 2.67Å; Q262-M271 HydrophobicContact CG-CE 4.18Å; Q262-I312 HydrophobicContact CB-CG2 4.14Å; Q262-L313 PolarHBondContact N-O 3.49Å
263A96.3Very high96Very high64 Ų6454 Ų5453%0.52929%0.288SS..Hα-helixtrans-59-40.6177.500000112.2S261 R267S261-A263 VanDerWaalsContact C-N 3.29Å; S261-A263 PolarHBondContact O-N 3.06Å; A263-R267 VanDerWaalsContact O-CB 3.28Å; A263-R267 WeakPolarHBondContact O-CB 3.48Å; A263-R267 PolarHBondContact O-N 3.4Å
264C97.1Very high96.1Very high0 Ų051.5 Ų51.50%027%0.27CS..Hα-helixtrans-67.6-42.3175.2-177.10000111.7M260 S261 Q262 E266 R267 C268 D319M260-C264 HydrophobicContact CG-CB 3.83Å; M260-C264 HydrophobicContact SD-CB 4.42Å; S261-C264 PolarHBondContact O-N 3.14Å; S261-C264 WeakPolarHBondContact OG-CB 3.16Å; S261-C264 PolarHBondContact OG-N 2.81Å; Q262-C264 VanDerWaalsContact C-N 3.3Å; Q262-C264 PolarHBondContact O-N 3.07Å; C264-E266 VanDerWaalsContact C-N 3.34Å; C264-E266 PolarHBondContact O-N 2.94Å; C264-R267 PolarHBondContact O-N 3.04Å; C264-C268 WeakPolarHBondContact O-CB 3.35Å; C264-C268 PolarHBondContact O-N 2.79Å; C264-C268 PolarHBondContact O-SG 3.32Å; C264-D319 HydrophobicContact CB-CB 3.95Å; C264-D319 WeakPolarHBondContact CB-O 3.34Å
265A97.3Very high96.2Very high0 Ų049.3 Ų49.30%024%0.242CC..Hα-helixtrans-63.8-37.3177.500000113.1M260 S261 Q262 N269 I270 M271 I312M260-A265 HydrophobicContact SD-CB 4.19Å; S261-A265 PolarHBondContact O-N 2.68Å; Q262-A265 PolarHBondContact O-N 3.19Å; Q262-A265 VanDerWaalsContact O-N 3.15Å; A265-N269 PolarHBondContact O-N 3.06Å; A265-I270 HydrophobicContact CB-CD1 4.4Å; A265-I270 HydrophobicContact CB-CG1 4.04Å; A265-I270 WeakPolarHBondContact O-CG1 3.35Å; A265-I270 PolarHBondContact O-N 3.01Å; A265-M271 HydrophobicContact CB-SD 3.75Å; A265-I312 HydrophobicContact CB-CD1 4.11Å; A265-I312 HydrophobicContact CB-CG2 4.45Å
266E97.5Very high96.5Very high101 Ų10156 Ų5647%0.47226%0.263SS..Hα-helixtrans-65.4-50.1172-74.7172.4-172.900111.1Q262 C264 C268 N269 M271Q262-E266 HydrophobicContact CG-CG 4.45Å; Q262-E266 WeakPolarHBondContact CG-OE1 3.4Å; Q262-E266 PolarHBondContact NE2-OE1 3.12Å; Q262-E266 WeakPolarHBondContact O-CG 3.3Å; Q262-E266 PolarHBondContact O-N 2.67Å; C264-E266 VanDerWaalsContact C-N 3.34Å; C264-E266 PolarHBondContact O-N 2.94Å; E266-C268 VanDerWaalsContact C-N 3.31Å; E266-C268 PolarHBondContact O-N 3.01Å; E266-N269 WeakPolarHBondContact O-CA 3.28Å; E266-N269 PolarHBondContact O-N 3.41Å; E266-M271 HydrophobicContact CB-CG 4.3Å; E266-M271 HydrophobicContact CG-CE 4.22Å; E266-M271 HydrophobicContact CG-CG 3.54Å; E266-M271 HydrophobicContact CG-SD 3.93Å
267R97.6Very high96.7Very high99 Ų9958.1 Ų58.137%0.37426%0.264SS..Hα-helixtrans-60.5-37.8178.2179.5168.556.281.8-3113.1H245 P246 A263 C264 N269 D319H245-R267 PolarHBondContact CE1-O 2.95Å; H245-R267 PolarHBondContact ND1-O 3.02Å; P246-R267 PolarHBondContact O-NH1 3.36Å; A263-R267 VanDerWaalsContact O-CB 3.28Å; A263-R267 WeakPolarHBondContact O-CB 3.48Å; A263-R267 PolarHBondContact O-N 3.4Å; C264-R267 PolarHBondContact O-N 3.04Å; R267-N269 PolarHBondContact O-N 3.12Å; R267-D319 IonicContact CZ-OD2 2.78Å; R267-D319 IonicContact NH2-OD1 3.93Å; R267-D319 PolarHBondContact NH2-OD1 3.35Å; R267-D319 IonicContact NH2-OD2 3.33Å; R267-D319 PolarHBondContact NH2-OD2 3.29Å
268C97.8Very high96.8Very high0 Ų061.8 Ų61.80%027%0.274CS..THydrogen-bonded Turntrans-80.2-1.2176.2-60.50000113V242 N243 H245 C264 E266 I270V242-C268 HydrophobicContact CB-CB 4.24Å; V242-C268 HydrophobicContact CG1-CB 4.14Å; N243-C268 VanDerWaalsContact CB-O 3.32Å; N243-C268 WeakPolarHBondContact CB-O 3.46Å; N243-C268 PolarHBondContact ND2-O 3.37Å; H245-C268 HydrophobicContact CB-CB 4.43Å; C264-C268 WeakPolarHBondContact O-CB 3.35Å; C264-C268 PolarHBondContact O-N 2.79Å; C264-C268 PolarHBondContact O-SG 3.32Å; E266-C268 VanDerWaalsContact C-N 3.31Å; E266-C268 PolarHBondContact O-N 3.01Å; C268-I270 VanDerWaalsContact C-N 3.31Å; C268-I270 HydrophobicContact CB-CG1 4.24Å; C268-I270 HydrophobicContact CB-CG2 4.46Å; C268-I270 PolarHBondContact O-N 3.38Å
269N97.6Very high96.6Very high106 Ų10664.5 Ų64.557%0.56730%0.296SS*.THydrogen-bonded Turntrans54.942-178.8-166.922.2000113.8A265 E266 R267A265-N269 PolarHBondContact O-N 3.06Å; E266-N269 WeakPolarHBondContact O-CA 3.28Å; E266-N269 PolarHBondContact O-N 3.41Å; R267-N269 PolarHBondContact O-N 3.12Å
270I97.6Very high96.3Very high4 Ų464.8 Ų64.82%0.02131%0.306CS..  trans-113.48.1178.761.7163.1000113.5V242 N243 M260 A265 C268 R272 L273 F310V242-I270 HydrophobicContact CG1-CD1 3.96Å; V242-I270 HydrophobicContact CG1-CG2 4.29Å; N243-I270 HydrophobicContact CB-CG2 3.94Å; M260-I270 HydrophobicContact CE-CD1 4.44Å; M260-I270 HydrophobicContact SD-CD1 3.71Å; A265-I270 HydrophobicContact CB-CD1 4.4Å; A265-I270 HydrophobicContact CB-CG1 4.04Å; A265-I270 WeakPolarHBondContact O-CG1 3.35Å; A265-I270 PolarHBondContact O-N 3.01Å; C268-I270 VanDerWaalsContact C-N 3.31Å; C268-I270 HydrophobicContact CB-CG1 4.24Å; C268-I270 HydrophobicContact CB-CG2 4.46Å; C268-I270 PolarHBondContact O-N 3.38Å; I270-R272 PolarHBondContact O-N 3.46Å; I270-L273 HydrophobicContact CB-CD1 4.15Å; I270-L273 HydrophobicContact CG2-CD1 4.22Å; I270-L273 WeakPolarHBondContact O-CB 3.41Å; I270-L273 PolarHBondContact O-N 2.98Å; I270-F310 HydrophobicContact CD1-CE2 3.94Å; I270-F310 HydrophobicContact CD1-CZ 3.89Å
271M97.3Very high95.7Very high46 Ų4670.4 Ų70.423%0.22734%0.335CS..G310 helixtrans-55.1-29176.9-73-61-80.100113.6Q262 A265 E266 L273 V274Q262-M271 HydrophobicContact CG-CE 4.18Å; A265-M271 HydrophobicContact CB-SD 3.75Å; E266-M271 HydrophobicContact CB-CG 4.3Å; E266-M271 HydrophobicContact CG-CE 4.22Å; E266-M271 HydrophobicContact CG-CG 3.54Å; E266-M271 HydrophobicContact CG-SD 3.93Å; M271-L273 PolarHBondContact O-N 3.35Å; M271-V274 WeakPolarHBondContact O-CB 3.39Å; M271-V274 PolarHBondContact O-N 2.97Å; M271-V274 HydrophobicContact SD-CG2 4.12Å
272R97.1Very high94.7Very high186 Ų18671.4 Ų71.470%0.70234%0.344SS*.G310 helixtrans-62.5-18.1173.266.8-175.7175.691.5-0.2114.6I270I270-R272 PolarHBondContact O-N 3.46Å
273L97.2Very high93.2Very high61 Ų6178.3 Ų78.332%0.31937%0.373SS..G310 helixtrans-95.3-6.4179.8-54.7-179000112.6I270 M271 D275 V294 A297I270-L273 HydrophobicContact CB-CD1 4.15Å; I270-L273 HydrophobicContact CG2-CD1 4.22Å; I270-L273 WeakPolarHBondContact O-CB 3.41Å; I270-L273 PolarHBondContact O-N 2.98Å; M271-L273 PolarHBondContact O-N 3.35Å; L273-D275 PolarHBondContact O-N 3.28Å; L273-V294 HydrophobicContact CB-CG1 4.2Å; L273-V294 HydrophobicContact CB-CG2 4.41Å; L273-A297 HydrophobicContact CD1-CB 4.46Å
274V97.7Very high91.8Very high17 Ų1778.4 Ų78.410%0.10338%0.38CS..EExtended strand (participates in β ladder)trans-81.5109.5-174.3-176.70000109.9M271 R276 V294 I312M271-V274 WeakPolarHBondContact O-CB 3.39Å; M271-V274 PolarHBondContact O-N 2.97Å; M271-V274 HydrophobicContact SD-CG2 4.12Å; V274-R276 PolarHBondContact O-N 3.4Å; V274-V294 HydrophobicContact CG2-CG2 3.88Å; V274-I312 HydrophobicContact CG1-CB 4.41Å; V274-I312 HydrophobicContact CG1-CG1 3.95Å; V274-I312 HydrophobicContact CG2-CG1 3.8Å
275D97.6Very high89.9Confident25 Ų2586.1 Ų86.113%0.13443%0.427CS..EExtended strand (participates in β ladder)trans-80.7104.2174.9-172.8-7.2000110.4L273 R277 W278 G292 R293 H295L273-D275 PolarHBondContact O-N 3.28Å; D275-R277 PolarHBondContact O-N 3.29Å; D275-R277 VanDerWaalsContact OD1-CB 3.26Å; D275-R277 WeakPolarHBondContact OD1-CB 3.4Å; D275-R277 WeakPolarHBondContact OD1-CG 3.46Å; D275-R277 IonicContact OD1-CZ 3.86Å; D275-R277 PolarHBondContact OD1-N 3.13Å; D275-R277 IonicContact OD1-NE 3.79Å; D275-R277 PolarHBondContact OD1-NE 3.02Å; D275-R277 IonicContact OD1-NH2 3.38Å; D275-R277 IonicContact OD2-CZ 2.72Å; D275-R277 IonicContact OD2-NE 2.96Å; D275-R277 PolarHBondContact OD2-NE 3.4Å; D275-R277 IonicContact OD2-NH2 3.21Å; D275-R277 PolarHBondContact OD2-NH2 2.83Å; D275-W278 PolarHBondContact O-N 3Å; D275-G292 VanDerWaalsContact O-CA 3.25Å; D275-G292 WeakPolarHBondContact O-CA 3.26Å; D275-R293 WeakPolarHBondContact CB-O 3.39Å; D275-R293 PolarHBondContact N-O 3.46Å; D275-R293 PolarHBondContact O-N 3.22Å; D275-R293 VanDerWaalsContact O-N 3.08Å; D275-H295 VanDerWaalsContact CB-NE2 3.34Å; D275-H295 WeakPolarHBondContact CB-NE2 3.3Å; D275-H295 IonicContact OD2-CD2 3.25Å; D275-H295 IonicContact OD2-CE1 2.71Å; D275-H295 IonicContact OD2-NE2 3.86Å; D275-H295 PolarHBondContact OD2-NE2 2.86Å
276R96.5Very high88.5Confident159 Ų15988.1 Ų88.160%0.645%0.448SS*.G310 helixtrans-71.1-10.2-179.7-64.9-178.5-179.4-97.82.2113.8V274 W278 A279V274-R276 PolarHBondContact O-N 3.4Å; R276-W278 PolarHBondContact O-N 2.82Å; R276-A279 WeakPolarHBondContact O-CB 3.39Å; R276-A279 PolarHBondContact O-N 3.01Å
277R94.9Very high87.4Confident208 Ų20888.7 Ų88.779%0.78546%0.458SS*.G310 helixtrans-65.1-19.7172.5-60.4176.4-63.3168.12.9112.1D275 A279D275-R277 PolarHBondContact O-N 3.29Å; D275-R277 VanDerWaalsContact OD1-CB 3.26Å; D275-R277 WeakPolarHBondContact OD1-CB 3.4Å; D275-R277 WeakPolarHBondContact OD1-CG 3.46Å; D275-R277 IonicContact OD1-CZ 3.86Å; D275-R277 PolarHBondContact OD1-N 3.13Å; D275-R277 IonicContact OD1-NE 3.79Å; D275-R277 PolarHBondContact OD1-NE 3.02Å; D275-R277 IonicContact OD1-NH2 3.38Å; D275-R277 IonicContact OD2-CZ 2.72Å; D275-R277 IonicContact OD2-NE 2.96Å; D275-R277 PolarHBondContact OD2-NE 3.4Å; D275-R277 IonicContact OD2-NH2 3.21Å; D275-R277 PolarHBondContact OD2-NH2 2.83Å; R277-A279 VanDerWaalsContact C-N 3.33Å
278W93.8Very high86.7Confident146 Ų14687.4 Ų87.455%0.55346%0.456SS*.G310 helixtrans-95.715.1174.8-66.975.3000112.5D275 R276 R293 H295D275-W278 PolarHBondContact O-N 3Å; R276-W278 PolarHBondContact O-N 2.82Å; W278-R293 HydrophobicContact CB-CB 3.65Å; W278-R293 HydrophobicContact CD2-CB 4.49Å; W278-R293 HydrophobicContact CG-CB 3.99Å; W278-H295 AromaticContact CD1-CE1 3.67Å; W278-H295 AromaticContact CD1-NE2 3.99Å; W278-H295 AromaticContact CE2-CE1 3.82Å; W278-H295 AromaticContact NE1-CE1 3.39Å; W278-H295 PolarHBondContact NE1-CE1 2.9Å; W278-H295 AromaticContact NE1-NE2 3.85Å
279A92.6Very high86.4Confident56 Ų5692.5 Ų92.546%0.46348%0.478SS..  trans-64.6147.5170.400000110.4R276 R277 I290 I291R276-A279 WeakPolarHBondContact O-CB 3.39Å; R276-A279 PolarHBondContact O-N 3.01Å; R277-A279 VanDerWaalsContact C-N 3.33Å; A279-I290 VanDerWaalsContact CA-O 3.25Å; A279-I290 WeakPolarHBondContact CA-O 3.24Å; A279-I290 WeakPolarHBondContact CB-O 3.31Å; A279-I291 WeakPolarHBondContact CB-O 3.38Å
280G89.5Confident86.2Confident33 Ų3388.5 Ų88.534%0.3446%0.457SS..EExtended strand (participates in β ladder)trans179.4-166.4-176.200000112.2I290G280-I290 PolarHBondContact N-O 3.32Å; G280-I290 PolarHBondContact O-N 3.4Å
281I84.8Confident86.1Confident118 Ų11888.8 Ų88.861%0.60546%0.458SS*.EExtended strand (participates in β ladder)trans-118117.5175.9-59173.7000107.2K283 T287 Q288I281-K283 PolarHBondContact O-N 2.87Å; I281-T287 HydrophobicContact CG2-CG2 4.49Å; I281-Q288 CarbonylContact C-O 3.51Å; I281-Q288 WeakPolarHBondContact CA-O 3.37Å
282A75.1Confident86.1Confident27 Ų2786.6 Ų86.622%0.22345%0.447CS..EExtended strand (participates in β ladder)trans-72.9120.7169.600000108.4Q288 I290 L313A282-Q288 PolarHBondContact N-O 3.37Å; A282-Q288 PolarHBondContact O-N 2.98Å; A282-Q288 VanDerWaalsContact O-N 3.13Å; A282-I290 HydrophobicContact CB-CD1 3.87Å; A282-I290 HydrophobicContact CB-CG1 3.93Å; A282-L313 HydrophobicContact CB-CD2 4.36Å
283K64.6Low86.1Confident189 Ų18979.7 Ų79.782%0.82242%0.421SS*.EExtended strand (participates in β ladder)trans-101111.7170.1-68.4-173.2178.1-175.80108.4I281I281-K283 PolarHBondContact O-N 2.87Å
284G66.7Low86.1Confident66 Ų6676.8 Ų76.868%0.6841%0.406SS*.SBendtrans-149.4-132.6176.700000110.2G286G284-G286 PolarHBondContact N-O 2.95Å; G284-G286 PolarHBondContact O-N 3.47Å
285V57.3Low86.1Confident161 Ų16180 Ų8098%0.97642%0.42SS*.SBendtrans-71.357.9169-166.60000109.8
286G67.3Low86Confident42 Ų4283.6 Ų83.643%0.43344%0.439SS..SBendtrans125.4169.9-171.200000113.8G284G284-G286 PolarHBondContact N-O 2.95Å; G284-G286 PolarHBondContact O-N 3.47Å
287T75.3Confident86Confident113 Ų11376.5 Ų76.569%0.69341%0.414SS*.EExtended strand (participates in β ladder)trans-101.7114.7171.449.40000109.1I281I281-T287 HydrophobicContact CG2-CG2 4.49Å
288Q82.7Confident86.2Confident73 Ų7370.7 Ų70.734%0.34140%0.396SS..EExtended strand (participates in β ladder)trans-122.4140.5175.8-61.4-172.339.600110.7I281 A282 I290 L313 E315I281-Q288 CarbonylContact C-O 3.51Å; I281-Q288 WeakPolarHBondContact CA-O 3.37Å; A282-Q288 PolarHBondContact N-O 3.37Å; A282-Q288 PolarHBondContact O-N 2.98Å; A282-Q288 VanDerWaalsContact O-N 3.13Å; Q288-I290 PolarHBondContact O-N 3.42Å; Q288-L313 HydrophobicContact CB-CD1 4.3Å; Q288-L313 HydrophobicContact CB-CD2 3.82Å; Q288-L313 VanDerWaalsContact OE1-CD1 3.3Å; Q288-E315 PolarHBondContact OE1-O 3.35Å
289K91.6Very high86.4Confident106 Ų10663.9 Ų63.946%0.46137%0.37SS..EExtended strand (participates in β ladder)trans-81.8120-179.4-173.5-161.1-173.4179.10110.1I291 L313 E314K289-I291 HydrophobicContact CD-CD1 4.05Å; K289-L313 WeakPolarHBondContact O-CD2 3.22Å; K289-E314 HydrophobicContact CB-CB 4.44Å; K289-E314 HydrophobicContact CD-CB 4.44Å; K289-E314 WeakPolarHBondContact CD-OE2 3.44Å; K289-E314 IonicContact NZ-OE1 2.86Å; K289-E314 PolarHBondContact NZ-OE1 2.88Å; K289-E314 IonicContact NZ-OE2 3.88Å; K289-E314 PolarHBondContact NZ-OE2 2.98Å; K289-E314 PolarHBondContact O-N 3.03Å; K289-E314 VanDerWaalsContact O-N 3.12Å
290I93.8Very high86.6Confident22 Ų2263.2 Ų63.211%0.11336%0.357CS..EExtended strand (participates in β ladder)trans-82.8118.7170.2-58.8169.5000107.9A279 G280 A282 Q288 G292 I312 L313A279-I290 VanDerWaalsContact CA-O 3.25Å; A279-I290 WeakPolarHBondContact CA-O 3.24Å; A279-I290 WeakPolarHBondContact CB-O 3.31Å; G280-I290 PolarHBondContact N-O 3.32Å; G280-I290 PolarHBondContact O-N 3.4Å; A282-I290 HydrophobicContact CB-CD1 3.87Å; A282-I290 HydrophobicContact CB-CG1 3.93Å; Q288-I290 PolarHBondContact O-N 3.42Å; I290-G292 WeakPolarHBondContact CG2-O 3.33Å; I290-I312 CarbonylContact C-O 3.59Å; I290-I312 WeakPolarHBondContact CA-O 3.32Å; I290-L313 HydrophobicContact CB-CD2 4.35Å; I290-L313 HydrophobicContact CG1-CD2 3.61Å
291I95.9Very high87Confident10 Ų1061.9 Ų61.95%0.05134%0.343CS..EExtended strand (participates in β ladder)trans-74.5-34.2176.8-59-59.2000111.3A279 K289 I312 E314A279-I291 WeakPolarHBondContact CB-O 3.38Å; K289-I291 HydrophobicContact CD-CD1 4.05Å; I291-I312 HydrophobicContact CB-CB 4.34Å; I291-I312 HydrophobicContact CB-CG2 4.18Å; I291-I312 PolarHBondContact N-O 3.01Å; I291-E314 HydrophobicContact CD1-CB 3.84Å; I291-E314 HydrophobicContact CD1-CG 4.11Å; I291-E314 HydrophobicContact CG1-CB 4.1Å
292G96.2Very high87.5Confident0 Ų061.6 Ų61.60%034%0.339CS..EExtended strand (participates in β ladder)trans168.4-166.317900000111.9D275 I290 I312D275-G292 VanDerWaalsContact O-CA 3.25Å; D275-G292 WeakPolarHBondContact O-CA 3.26Å; I290-G292 WeakPolarHBondContact CG2-O 3.33Å; G292-I312 PolarHBondContact O-N 3.46Å
293R96.9Very high88.3Confident41 Ų4163 Ų6316%0.15536%0.356CS..EExtended strand (participates in β ladder)trans-129.5137.6-179.8-170.5176-178.189.41.1111.6D275 W278 S309 F310 S311D275-R293 WeakPolarHBondContact CB-O 3.39Å; D275-R293 PolarHBondContact N-O 3.46Å; D275-R293 PolarHBondContact O-N 3.22Å; D275-R293 VanDerWaalsContact O-N 3.08Å; W278-R293 HydrophobicContact CB-CB 3.65Å; W278-R293 HydrophobicContact CD2-CB 4.49Å; W278-R293 HydrophobicContact CG-CB 3.99Å; R293-S309 PolarHBondContact NH2-OG 3.37Å; R293-F310 WeakPolarHBondContact CG-O 3.43Å; R293-S311 PolarHBondContact NH1-OG 3.44Å
294V97.9Very high89.8Confident0 Ų055.6 Ų55.60%033%0.325CS..EExtended strand (participates in β ladder)trans-92.2114.7165.31780000107.5L273 V274 A297 S309 F310 I312L273-V294 HydrophobicContact CB-CG1 4.2Å; L273-V294 HydrophobicContact CB-CG2 4.41Å; V274-V294 HydrophobicContact CG2-CG2 3.88Å; V294-A297 HydrophobicContact CG1-CB 3.73Å; V294-S309 VanDerWaalsContact O-CA 3.31Å; V294-S309 WeakPolarHBondContact O-CA 3.49Å; V294-F310 HydrophobicContact CB-CD2 4.06Å; V294-F310 HydrophobicContact CB-CE2 3.8Å; V294-F310 HydrophobicContact CB-CZ 4.12Å; V294-F310 HydrophobicContact CG1-CE1 4.48Å; V294-F310 HydrophobicContact CG1-CE2 4.23Å; V294-F310 HydrophobicContact CG1-CZ 4.05Å; V294-F310 HydrophobicContact CG2-CD2 4.27Å; V294-F310 HydrophobicContact CG2-CE2 3.78Å; V294-F310 HydrophobicContact CG2-CZ 4.37Å; V294-F310 PolarHBondContact N-O 2.73Å; V294-F310 PolarHBondContact O-N 2.6Å; V294-I312 HydrophobicContact CG2-CD1 4.05Å; V294-I312 HydrophobicContact CG2-CG1 4.23Å
295H96.9Very high91.3Very high85 Ų8558.4 Ų58.439%0.39432%0.319SS..EExtended strand (participates in β ladder)trans-73.5-34.3-176.5-62.9-53.7000112.8D275 W278 S309D275-H295 VanDerWaalsContact CB-NE2 3.34Å; D275-H295 WeakPolarHBondContact CB-NE2 3.3Å; D275-H295 IonicContact OD2-CD2 3.25Å; D275-H295 IonicContact OD2-CE1 2.71Å; D275-H295 IonicContact OD2-NE2 3.86Å; D275-H295 PolarHBondContact OD2-NE2 2.86Å; W278-H295 AromaticContact CD1-CE1 3.67Å; W278-H295 AromaticContact CD1-NE2 3.99Å; W278-H295 AromaticContact CE2-CE1 3.82Å; W278-H295 AromaticContact NE1-CE1 3.39Å; W278-H295 PolarHBondContact NE1-CE1 2.9Å; W278-H295 AromaticContact NE1-NE2 3.85Å; H295-S309 WeakPolarHBondContact O-CB 3.15Å
296L96.3Very high93.2Very high101 Ų10151.2 Ų51.253%0.52928%0.275SS..EExtended strand (participates in β ladder)trans-156.8118.8-179.4-169.574000110P307 C308L296-P307 HydrophobicContact CD1-CB 3.57Å; L296-C308 CarbonylContact C-O 3.57Å; L296-C308 WeakPolarHBondContact CA-O 3.3Å
297A96.9Very high94.6Very high9 Ų951.2 Ų51.27%0.07427%0.268CS..EExtended strand (participates in β ladder)trans-139.4150.1166.400000109.6L273 V294 C308 F310L273-A297 HydrophobicContact CD1-CB 4.46Å; V294-A297 HydrophobicContact CG1-CB 3.73Å; A297-C308 PolarHBondContact N-O 2.79Å; A297-C308 PolarHBondContact O-N 3.44Å; A297-F310 HydrophobicContact CB-CE1 3.98Å; A297-F310 HydrophobicContact CB-CZ 3.94Å
298Q97.3Very high95.6Very high87 Ų8746 Ų4641%0.40724%0.236SC..EExtended strand (participates in β ladder)trans-83117.6176.3-63.3-64-14.700109.2F305 L306Q298-F305 HydrophobicContact CB-CB 4.34Å; Q298-F305 HydrophobicContact CB-CD1 4.23Å; Q298-F305 PolarHBondContact OE1-O 2.94Å; Q298-F305 VanDerWaalsContact OE1-O 3.11Å; Q298-L306 WeakPolarHBondContact CA-O 3.47Å; Q298-L306 VanDerWaalsContact OE1-C 3.24Å; Q298-L306 PolarHBondContact OE1-O 2.8Å
299V97.9Very high96.3Very high3 Ų343.3 Ų43.32%0.01823%0.225CC..EExtended strand (participates in β ladder)trans-97.9113.6169.8-179.30000106.7C240 V242 I301 L306 C308 F310 M320C240-V299 HydrophobicContact CB-CG1 3.99Å; V242-V299 HydrophobicContact CG2-CG1 4.5Å; V242-V299 HydrophobicContact CG2-CG2 4.31Å; V299-I301 HydrophobicContact CG1-CG1 4.29Å; V299-L306 PolarHBondContact N-O 2.92Å; V299-L306 PolarHBondContact O-N 2.84Å; V299-C308 HydrophobicContact CG2-CB 3.78Å; V299-F310 HydrophobicContact CG2-CE1 4.31Å; V299-M320 HydrophobicContact CG2-CE 3.99Å
300Q98.2Very high96.6Very high41 Ų4138.3 Ų38.319%0.19220%0.203CC..EExtended strand (participates in β ladder)trans-83.7121.9178.6-178.2-176-1.500109.8C240 K241 E302 D304 F305C240-Q300 CarbonylContact C-O 3.54Å; C240-Q300 WeakPolarHBondContact CA-O 3.36Å; C240-Q300 VanDerWaalsContact CB-O 3.25Å; C240-Q300 WeakPolarHBondContact CB-O 3.47Å; K241-Q300 HydrophobicContact CB-CB 4.11Å; K241-Q300 PolarHBondContact N-O 3.34Å; K241-Q300 PolarHBondContact O-N 2.94Å; Q300-E302 WeakPolarHBondContact CG-O 3.28Å; Q300-E302 PolarHBondContact NE2-O 2.86Å; Q300-D304 CarbonylContact C-O 3.55Å; Q300-D304 WeakPolarHBondContact CA-O 3.44Å; Q300-F305 HydrophobicContact CB-CD1 4.01Å; Q300-F305 HydrophobicContact CB-CE1 3.91Å; Q300-F305 HydrophobicContact CG-CD1 4.31Å; Q300-F305 HydrophobicContact CG-CE1 3.97Å; Q300-F305 HydrophobicContact CG-CZ 4.11Å
301I97.2Very high96.7Very high6 Ų637.6 Ų37.63%0.03120%0.2CC..EExtended strand (participates in β ladder)trans-121.4118.9171.6-57.7-179000106.3I238 C240 V299 G303 D304 L306 I343 T350I238-I301 HydrophobicContact CD1-CD1 3.81Å; I238-I301 HydrophobicContact CD1-CG1 4.44Å; C240-I301 HydrophobicContact CB-CG1 4.01Å; V299-I301 HydrophobicContact CG1-CG1 4.29Å; I301-G303 PolarHBondContact O-N 2.97Å; I301-G303 VanDerWaalsContact O-N 3.12Å; I301-D304 PolarHBondContact N-O 3.47Å; I301-D304 PolarHBondContact O-N 2.89Å; I301-L306 HydrophobicContact CD1-CD1 3.74Å; I301-L306 HydrophobicContact CG1-CD1 4.3Å; I301-I343 HydrophobicContact CD1-CD1 3.95Å; I301-T350 HydrophobicContact CG2-CG2 3.6Å
302E95.4Very high96.7Very high111 Ų11137.1 Ų37.152%0.51920%0.198SC..THydrogen-bonded Turntrans51.3-116.6-168.5-59.8-55.9139.600111.6Q300Q300-E302 WeakPolarHBondContact CG-O 3.28Å; Q300-E302 PolarHBondContact NE2-O 2.86Å
303G92.8Very high96.6Very high57 Ų5737.4 Ų37.459%0.58820%0.199SC*.THydrogen-bonded Turntrans-91.5-917600000115I301I301-G303 PolarHBondContact O-N 2.97Å; I301-G303 VanDerWaalsContact O-N 3.12Å
304D95.3Very high96.4Very high34 Ų3439.1 Ų39.118%0.18221%0.209CC..EExtended strand (participates in β ladder)trans-93139-171.8-67.1-24.2000111.9Q300 I301 L306 T346 S348Q300-D304 CarbonylContact C-O 3.55Å; Q300-D304 WeakPolarHBondContact CA-O 3.44Å; I301-D304 PolarHBondContact N-O 3.47Å; I301-D304 PolarHBondContact O-N 2.89Å; D304-L306 HydrophobicContact CB-CD2 4.14Å; D304-T346 HydrophobicContact CB-CG2 4.48Å; D304-T346 WeakPolarHBondContact OD2-CB 3.41Å; D304-T346 WeakPolarHBondContact OD2-CG2 3.27Å; D304-T346 PolarHBondContact OD2-OG1 2.94Å; D304-S348 WeakPolarHBondContact OD2-CB 3.48Å; D304-S348 PolarHBondContact OD2-OG 2.93Å
305F97.4Very high95.8Very high125 Ų12546.7 Ų46.755%0.54825%0.245SC..EExtended strand (participates in β ladder)trans-105.5104.5173.4-66.5-91.8000109.2Q298 Q300Q298-F305 HydrophobicContact CB-CB 4.34Å; Q298-F305 HydrophobicContact CB-CD1 4.23Å; Q298-F305 PolarHBondContact OE1-O 2.94Å; Q298-F305 VanDerWaalsContact OE1-O 3.11Å; Q300-F305 HydrophobicContact CB-CD1 4.01Å; Q300-F305 HydrophobicContact CB-CE1 3.91Å; Q300-F305 HydrophobicContact CG-CD1 4.31Å; Q300-F305 HydrophobicContact CG-CE1 3.97Å; Q300-F305 HydrophobicContact CG-CZ 4.11Å
306L97.1Very high95.2Very high9 Ų944 Ų445%0.04723%0.232CC..EExtended strand (participates in β ladder)trans-94.9121.5-175.2-56.7-175.3000110.9Q298 V299 I301 D304 C308 I343Q298-L306 WeakPolarHBondContact CA-O 3.47Å; Q298-L306 VanDerWaalsContact OE1-C 3.24Å; Q298-L306 PolarHBondContact OE1-O 2.8Å; V299-L306 PolarHBondContact N-O 2.92Å; V299-L306 PolarHBondContact O-N 2.84Å; I301-L306 HydrophobicContact CD1-CD1 3.74Å; I301-L306 HydrophobicContact CG1-CD1 4.3Å; D304-L306 HydrophobicContact CB-CD2 4.14Å; L306-C308 PolarHBondContact O-N 2.91Å; L306-C308 VanDerWaalsContact O-N 3.11Å; L306-I343 HydrophobicContact CD1-CD1 4.03Å; L306-I343 HydrophobicContact CD1-CG1 4.32Å; L306-I343 HydrophobicContact CD1-CG2 3.85Å; L306-I343 HydrophobicContact CD2-CG2 3.93Å
307P97.4Very high94.7Very high43 Ų4344.1 Ų44.128%0.27924%0.239SC..EExtended strand (participates in β ladder)trans-73.7102.4176.526-33.2000111.3L296 R329 H330L296-P307 HydrophobicContact CD1-CB 3.57Å; P307-R329 PolarHBondContact O-NE 2.85Å; P307-H330 PolarHBondContact O-NE2 3.12Å
308C97.2Very high94.4Very high3 Ų345.3 Ų45.32%0.0224%0.243CC..EExtended strand (participates in β ladder)trans-112.1152-178.1-58.60000112.8L296 A297 V299 L306 F310 M326L296-C308 CarbonylContact C-O 3.57Å; L296-C308 WeakPolarHBondContact CA-O 3.3Å; A297-C308 PolarHBondContact N-O 2.79Å; A297-C308 PolarHBondContact O-N 3.44Å; V299-C308 HydrophobicContact CG2-CB 3.78Å; L306-C308 PolarHBondContact O-N 2.91Å; L306-C308 VanDerWaalsContact O-N 3.11Å; C308-F310 HydrophobicContact CB-CD1 4.26Å; C308-F310 HydrophobicContact CB-CE1 4.48Å; C308-M326 VanDerWaalsContact CA-SD 3.54Å; C308-M326 HydrophobicContact CB-CG 4.17Å; C308-M326 HydrophobicContact CB-SD 3.62Å
309S96.8Very high94.3Very high17 Ų1743.7 Ų43.712%0.11924%0.238CC..EExtended strand (participates in β ladder)trans-119.4137.6170.572.10000109.2R293 V294 H295 M326R293-S309 PolarHBondContact NH2-OG 3.37Å; V294-S309 VanDerWaalsContact O-CA 3.31Å; V294-S309 WeakPolarHBondContact O-CA 3.49Å; H295-S309 WeakPolarHBondContact O-CB 3.15Å; S309-M326 PolarHBondContact N-SD 3.42Å; S309-M326 VanDerWaalsContact N-SD 3.39Å
310F96.9Very high94.2Very high0 Ų043.6 Ų43.60%024%0.237CC..EExtended strand (participates in β ladder)trans-153.8153.4-17745.9-95.6000112.5T258 M260 I270 R293 V294 A297 V299 C308 I312 M320T258-F310 HydrophobicContact CG2-CB 3.66Å; T258-F310 HydrophobicContact CG2-CG 4.43Å; T258-F310 VanDerWaalsContact O-CA 3.29Å; T258-F310 WeakPolarHBondContact O-CA 3.33Å; T258-F310 VanDerWaalsContact O-CB 3.24Å; T258-F310 WeakPolarHBondContact O-CB 3.46Å; M260-F310 HydrophobicContact CB-CD2 3.74Å; M260-F310 HydrophobicContact CB-CE2 3.95Å; M260-F310 HydrophobicContact CE-CD2 4.37Å; M260-F310 HydrophobicContact CE-CE1 4.38Å; M260-F310 HydrophobicContact CE-CE2 3.68Å; M260-F310 HydrophobicContact CE-CZ 3.69Å; M260-F310 HydrophobicContact CG-CE2 4.45Å; M260-F310 HydrophobicContact SD-CD2 4.42Å; M260-F310 HydrophobicContact SD-CE2 3.66Å; M260-F310 HydrophobicContact SD-CZ 4.16Å; I270-F310 HydrophobicContact CD1-CE2 3.94Å; I270-F310 HydrophobicContact CD1-CZ 3.89Å; R293-F310 WeakPolarHBondContact CG-O 3.43Å; V294-F310 HydrophobicContact CB-CD2 4.06Å; V294-F310 HydrophobicContact CB-CE2 3.8Å; V294-F310 HydrophobicContact CB-CZ 4.12Å; V294-F310 HydrophobicContact CG1-CE1 4.48Å; V294-F310 HydrophobicContact CG1-CE2 4.23Å; V294-F310 HydrophobicContact CG1-CZ 4.05Å; V294-F310 HydrophobicContact CG2-CD2 4.27Å; V294-F310 HydrophobicContact CG2-CE2 3.78Å; V294-F310 HydrophobicContact CG2-CZ 4.37Å; V294-F310 PolarHBondContact N-O 2.73Å; V294-F310 PolarHBondContact O-N 2.6Å; A297-F310 HydrophobicContact CB-CE1 3.98Å; A297-F310 HydrophobicContact CB-CZ 3.94Å; V299-F310 HydrophobicContact CG2-CE1 4.31Å; C308-F310 HydrophobicContact CB-CD1 4.26Å; C308-F310 HydrophobicContact CB-CE1 4.48Å; F310-I312 HydrophobicContact CD2-CD1 3.8Å; F310-I312 HydrophobicContact CE2-CD1 3.87Å; F310-M320 HydrophobicContact CD1-CE 4.28Å
311S96.1Very high94.1Very high8 Ų842.6 Ų42.66%0.05623%0.233CC..EExtended strand (participates in β ladder)trans-87.7148.8176-62.50000110.4T258 I259 M260 R293T258-S311 PolarHBondContact O-N 3.32Å; T258-S311 VanDerWaalsContact O-N 3.11Å; I259-S311 WeakPolarHBondContact CA-O 3.45Å; I259-S311 WeakPolarHBondContact CG2-O 3.19Å; M260-S311 PolarHBondContact N-O 2.83Å; R293-S311 PolarHBondContact NH1-OG 3.44Å
312I96.8Very high94.1Very high0 Ų042.9 Ų42.90%023%0.234CC..EExtended strand (participates in β ladder)trans-102.8122.3176.9-52.8-54.9000109.6M260 Q262 A265 V274 I290 I291 G292 V294 F310M260-I312 HydrophobicContact CB-CD1 3.84Å; M260-I312 HydrophobicContact CG-CD1 4.38Å; M260-I312 VanDerWaalsContact O-CA 3.27Å; M260-I312 WeakPolarHBondContact O-CA 3.25Å; Q262-I312 HydrophobicContact CB-CG2 4.14Å; A265-I312 HydrophobicContact CB-CD1 4.11Å; A265-I312 HydrophobicContact CB-CG2 4.45Å; V274-I312 HydrophobicContact CG1-CB 4.41Å; V274-I312 HydrophobicContact CG1-CG1 3.95Å; V274-I312 HydrophobicContact CG2-CG1 3.8Å; I290-I312 CarbonylContact C-O 3.59Å; I290-I312 WeakPolarHBondContact CA-O 3.32Å; I291-I312 HydrophobicContact CB-CB 4.34Å; I291-I312 HydrophobicContact CB-CG2 4.18Å; I291-I312 PolarHBondContact N-O 3.01Å; G292-I312 PolarHBondContact O-N 3.46Å; V294-I312 HydrophobicContact CG2-CD1 4.05Å; V294-I312 HydrophobicContact CG2-CG1 4.23Å; F310-I312 HydrophobicContact CD2-CD1 3.8Å; F310-I312 HydrophobicContact CE2-CD1 3.87Å
313L94.8Very high94.2Very high5 Ų537.6 Ų37.63%0.02621%0.209CC..EExtended strand (participates in β ladder)trans-102.3143.6174.2-73.8178.2000111.1I259 M260 S261 Q262 A282 Q288 K289 I290I259-L313 HydrophobicContact CD1-CD1 4.07Å; I259-L313 HydrophobicContact CG2-CB 4.05Å; I259-L313 HydrophobicContact CG2-CD1 3.47Å; I259-L313 VanDerWaalsContact CG2-CD1 3.47Å; I259-L313 HydrophobicContact CG2-CG 3.56Å; M260-L313 PolarHBondContact O-N 3.31Å; S261-L313 CarbonylContact C-O 3.5Å; Q262-L313 PolarHBondContact N-O 3.49Å; A282-L313 HydrophobicContact CB-CD2 4.36Å; Q288-L313 HydrophobicContact CB-CD1 4.3Å; Q288-L313 HydrophobicContact CB-CD2 3.82Å; Q288-L313 VanDerWaalsContact OE1-CD1 3.3Å; K289-L313 WeakPolarHBondContact O-CD2 3.22Å; I290-L313 HydrophobicContact CB-CD2 4.35Å; I290-L313 HydrophobicContact CG1-CD2 3.61Å
314E91.4Very high94.4Very high78 Ų7837.6 Ų37.636%0.36420%0.196SC..SBendtrans-64.6-53.3-179.7-168.2165.5-127.900111.5K289 I291K289-E314 HydrophobicContact CB-CB 4.44Å; K289-E314 HydrophobicContact CD-CB 4.44Å; K289-E314 WeakPolarHBondContact CD-OE2 3.44Å; K289-E314 IonicContact NZ-OE1 2.86Å; K289-E314 PolarHBondContact NZ-OE1 2.88Å; K289-E314 IonicContact NZ-OE2 3.88Å; K289-E314 PolarHBondContact NZ-OE2 2.98Å; K289-E314 PolarHBondContact O-N 3.03Å; K289-E314 VanDerWaalsContact O-N 3.12Å; I291-E314 HydrophobicContact CD1-CB 3.84Å; I291-E314 HydrophobicContact CD1-CG 4.11Å; I291-E314 HydrophobicContact CG1-CB 4.1Å
315E85.4Confident94.4Very high159 Ų15937.9 Ų37.974%0.74320%0.197SC*.SBendtrans-121.8115.2-177.6-65.8-176.3179.200109.8Q288Q288-E315 PolarHBondContact OE1-O 3.35Å
316Q83.8Confident94.4Very high28 Ų2832.3 Ų32.313%0.13117%0.173CC..  trans-146.3132.2176.4-174.1179.7-81.100109M318Q316-M318 HydrophobicContact CG-CG 4.29Å; Q316-M318 WeakPolarHBondContact CG-O 3.42Å; Q316-M318 HydrophobicContact CG-SD 3.82Å; Q316-M318 PolarHBondContact NE2-O 2.95Å; Q316-M318 PolarHBondContact O-N 2.83Å
317P86.1Confident94.5Very high104 Ų10432.3 Ų32.368%0.67517%0.173SC*.SBendtrans-62.2-39.4-178.5-24.233.6000113.8C361P317-C361 HydrophobicContact CB-CB 3.81Å; P317-C361 PolarHBondContact O-SG 3.05Å
318M90.6Very high94.5Very high34 Ų3437.2 Ų37.217%0.16719%0.19CC..SBendtrans-94.6154.9175.965.6-82.2-67.800112.4F250 Q316F250-M318 HydrophobicContact CB-CE 4.35Å; F250-M318 HydrophobicContact CB-CG 4.29Å; F250-M318 HydrophobicContact CD1-CE 3.79Å; F250-M318 HydrophobicContact CE1-CE 4.4Å; F250-M318 HydrophobicContact CG-CE 4.15Å; Q316-M318 HydrophobicContact CG-CG 4.29Å; Q316-M318 WeakPolarHBondContact CG-O 3.42Å; Q316-M318 HydrophobicContact CG-SD 3.82Å; Q316-M318 PolarHBondContact NE2-O 2.95Å; Q316-M318 PolarHBondContact O-N 2.83Å
319D94.9Very high94.5Very high53 Ų5343.5 Ų43.528%0.28321%0.213SC..SBendtrans-64.1-47177.4-81.4-39.8000113V247 M260 S261 C264 R267V247-D319 HydrophobicContact CG1-CB 3.92Å; M260-D319 WeakPolarHBondContact CA-O 2.99Å; M260-D319 WeakPolarHBondContact CG-O 3.42Å; S261-D319 PolarHBondContact N-O 3.25Å; C264-D319 HydrophobicContact CB-CB 3.95Å; C264-D319 WeakPolarHBondContact CB-O 3.34Å; R267-D319 IonicContact CZ-OD2 2.78Å; R267-D319 IonicContact NH2-OD1 3.93Å; R267-D319 PolarHBondContact NH2-OD1 3.35Å; R267-D319 IonicContact NH2-OD2 3.33Å; R267-D319 PolarHBondContact NH2-OD2 3.29Å
320M96.3Very high94.5Very high1 Ų143.2 Ų43.21%0.00521%0.21CC..EExtended strand (participates in β ladder)trans-147.6138.7-174.4-173.2170.6-177.500110.3V242 V247 A249 F250 T258 I259 M260 V299 F310V242-M320 HydrophobicContact CG2-SD 4.47Å; V247-M320 HydrophobicContact CG1-CB 3.73Å; V247-M320 HydrophobicContact CG1-SD 4.45Å; A249-M320 WeakPolarHBondContact CA-O 3.47Å; A249-M320 HydrophobicContact CB-CB 4.24Å; A249-M320 HydrophobicContact CB-CG 4.26Å; A249-M320 HydrophobicContact CB-SD 4.44Å; F250-M320 PolarHBondContact N-O 3.36Å; T258-M320 HydrophobicContact CG2-CE 3.76Å; I259-M320 WeakPolarHBondContact O-CA 3.44Å; M260-M320 HydrophobicContact CE-CE 4.29Å; M260-M320 HydrophobicContact CE-CG 4.24Å; M260-M320 HydrophobicContact CE-SD 3.59Å; M260-M320 VanDerWaalsContact CE-SD 3.59Å; V299-M320 HydrophobicContact CG2-CE 3.99Å; F310-M320 HydrophobicContact CD1-CE 4.28Å
321L96.3Very high94.6Very high19 Ų1949.8 Ų49.810%0.09924%0.241CC..EExtended strand (participates in β ladder)trans-117.6118.9172.2-176.5160.7000107.8F250 D252 A255 T258 I259F250-L321 HydrophobicContact CD1-CD1 3.85Å; F250-L321 HydrophobicContact CD1-CG 3.88Å; F250-L321 HydrophobicContact CE1-CD1 4.23Å; F250-L321 CarbonylContact O-C 3.59Å; F250-L321 WeakPolarHBondContact O-CA 3.39Å; D252-L321 HydrophobicContact CB-CD1 4.42Å; D252-L321 HydrophobicContact CB-CD2 4.12Å; D252-L321 HydrophobicContact CB-CG 4.21Å; A255-L321 HydrophobicContact CB-CD1 4.39Å; A255-L321 HydrophobicContact CB-CD2 3.49Å; A255-L321 VanDerWaalsContact CB-CD2 3.49Å; T258-L321 CarbonylContact C-O 3.53Å; T258-L321 VanDerWaalsContact CA-O 3.28Å; T258-L321 WeakPolarHBondContact CA-O 3.32Å; T258-L321 WeakPolarHBondContact CG2-O 3.34Å; I259-L321 PolarHBondContact N-O 2.94Å; I259-L321 PolarHBondContact O-N 2.83Å
322L97.4Very high94.7Very high12 Ų1250.9 Ų50.96%0.06325%0.248CC..EExtended strand (participates in β ladder)trans-90.4101.9175.4-169.868.9000109.8I238 F250 D252 T258 M326 L327 L341I238-L322 HydrophobicContact CD1-CD2 4.47Å; F250-L322 PolarHBondContact O-N 2.97Å; D252-L322 PolarHBondContact N-O 3.31Å; T258-L322 HydrophobicContact CG2-CD1 4.2Å; L322-M326 HydrophobicContact CD1-CB 3.61Å; L322-M326 HydrophobicContact CD1-CG 4.28Å; L322-L327 HydrophobicContact CD2-CD2 3.88Å; L322-L327 HydrophobicContact CG-CD2 4.26Å; L322-L327 HydrophobicContact CG-CG 4.4Å; L322-L341 HydrophobicContact CD2-CD2 4.19Å
323G96.7Very high94.8Very high0 Ų054 Ų540%027%0.27CS..  trans-87.7175.9-175.100000113.7D252 T258 D325 M326 L327D252-G323 WeakPolarHBondContact O-CA 3.49Å; T258-G323 PolarHBondContact OG1-N 3.45Å; G323-D325 PolarHBondContact O-N 2.98Å; G323-M326 PolarHBondContact O-N 3.37Å; G323-L327 VanDerWaalsContact O-CG 3.31Å; G323-L327 WeakPolarHBondContact O-CG 3.28Å; G323-L327 PolarHBondContact O-N 2.8Å
324L97.4Very high94.9Very high58 Ų5856.5 Ų56.530%0.30428%0.283SS..Hα-helixtrans-60.6-28.7-178.8-169.663000113.4A255 K328A255-L324 VanDerWaalsContact O-CB 3.29Å; A255-L324 WeakPolarHBondContact O-CB 3.43Å; A255-L324 PolarHBondContact O-N 3.06Å; L324-K328 HydrophobicContact CD1-CD 4.41Å; L324-K328 HydrophobicContact CD1-CG 4.07Å; L324-K328 HydrophobicContact CG-CD 4.12Å; L324-K328 HydrophobicContact CG-CG 4.16Å; L324-K328 VanDerWaalsContact O-CB 3.28Å; L324-K328 WeakPolarHBondContact O-CB 3.2Å; L324-K328 WeakPolarHBondContact O-CG 3.49Å; L324-K328 PolarHBondContact O-N 2.9Å
325D96.3Very high95.2Very high40 Ų4054.5 Ų54.521%0.21428%0.275CS..Hα-helixtrans-58.5-48.6175.758.2-13000112.3Q256 M257 T258 G323 R329Q256-D325 WeakPolarHBondContact O-CB 3.45Å; Q256-D325 PolarHBondContact O-N 2.93Å; M257-D325 WeakPolarHBondContact CA-OD2 3.43Å; T258-D325 WeakPolarHBondContact CB-OD1 3.43Å; T258-D325 VanDerWaalsContact N-CG 3.29Å; T258-D325 PolarHBondContact N-OD1 2.98Å; T258-D325 PolarHBondContact N-OD2 3.18Å; T258-D325 PolarHBondContact OG1-OD1 3.15Å; G323-D325 PolarHBondContact O-N 2.98Å; D325-R329 VanDerWaalsContact O-CB 3.3Å; D325-R329 WeakPolarHBondContact O-CB 3.31Å; D325-R329 PolarHBondContact O-N 3Å; D325-R329 VanDerWaalsContact O-N 3.1Å
326M97.1Very high95.7Very high7 Ų752.4 Ų52.43%0.03427%0.268CS..Hα-helixtrans-80-35.8179.5-65.2-57.499.700111.9T258 C308 S309 L322 G323 K328 R329 H330T258-M326 HydrophobicContact CG2-CG 4.01Å; T258-M326 WeakPolarHBondContact OG1-CB 3.17Å; T258-M326 WeakPolarHBondContact OG1-CG 3.19Å; C308-M326 VanDerWaalsContact CA-SD 3.54Å; C308-M326 HydrophobicContact CB-CG 4.17Å; C308-M326 HydrophobicContact CB-SD 3.62Å; S309-M326 PolarHBondContact N-SD 3.42Å; S309-M326 VanDerWaalsContact N-SD 3.39Å; L322-M326 HydrophobicContact CD1-CB 3.61Å; L322-M326 HydrophobicContact CD1-CG 4.28Å; G323-M326 PolarHBondContact O-N 3.37Å; M326-K328 VanDerWaalsContact C-N 3.33Å; M326-K328 PolarHBondContact O-N 3.07Å; M326-R329 PolarHBondContact O-N 3.23Å; M326-H330 PolarHBondContact O-CD2 3.17Å; M326-H330 PolarHBondContact O-N 3.16Å
327L98Very high96.2Very high9 Ų960.7 Ų60.75%0.04730%0.303CS..Hα-helixtrans-58.4-45.4173.4-67.6170.4000111.3V251 L322 G323 Q331 C332 I334 L341V251-L327 HydrophobicContact CG1-CD1 4.29Å; V251-L327 HydrophobicContact CG1-CD2 4.17Å; L322-L327 HydrophobicContact CD2-CD2 3.88Å; L322-L327 HydrophobicContact CG-CD2 4.26Å; L322-L327 HydrophobicContact CG-CG 4.4Å; G323-L327 VanDerWaalsContact O-CG 3.31Å; G323-L327 WeakPolarHBondContact O-CG 3.28Å; G323-L327 PolarHBondContact O-N 2.8Å; L327-Q331 PolarHBondContact O-N 2.91Å; L327-C332 HydrophobicContact CB-CB 4.38Å; L327-C332 HydrophobicContact CD2-CB 3.77Å; L327-C332 PolarHBondContact O-N 2.82Å; L327-I334 HydrophobicContact CD1-CD1 4.28Å; L327-L341 HydrophobicContact CD2-CD1 4.07Å
328K97.9Very high96.7Very high147 Ų14762 Ų6264%0.63930%0.299SS*.Hα-helixtrans-67.5-42.7175.2-75.9-174.2176.1-1780112.3L324 M326 H330 Q331L324-K328 HydrophobicContact CD1-CD 4.41Å; L324-K328 HydrophobicContact CD1-CG 4.07Å; L324-K328 HydrophobicContact CG-CD 4.12Å; L324-K328 HydrophobicContact CG-CG 4.16Å; L324-K328 VanDerWaalsContact O-CB 3.28Å; L324-K328 WeakPolarHBondContact O-CB 3.2Å; L324-K328 WeakPolarHBondContact O-CG 3.49Å; L324-K328 PolarHBondContact O-N 2.9Å; M326-K328 VanDerWaalsContact C-N 3.33Å; M326-K328 PolarHBondContact O-N 3.07Å; K328-H330 VanDerWaalsContact C-N 3.27Å; K328-H330 PolarHBondContact O-N 2.87Å; K328-Q331 PolarHBondContact O-N 2.77Å; K328-Q331 VanDerWaalsContact O-N 3.12Å
329R97.4Very high97Very high134 Ų13463.9 Ų63.951%0.50631%0.309SS..Hα-helixtrans-56.8-41.2-179.5-178.4-177.6-177.592.42.6112.2P307 D325 M326P307-R329 PolarHBondContact O-NE 2.85Å; D325-R329 VanDerWaalsContact O-CB 3.3Å; D325-R329 WeakPolarHBondContact O-CB 3.31Å; D325-R329 PolarHBondContact O-N 3Å; D325-R329 VanDerWaalsContact O-N 3.1Å; M326-R329 PolarHBondContact O-N 3.23Å
330H97.9Very high97.1Very high12 Ų1261.9 Ų61.96%0.05630%0.299CS..THydrogen-bonded Turntrans-97.811.8-179.2-62.1-65.7000113.5P307 M326 K328 C332 I343 G344 T345P307-H330 PolarHBondContact O-NE2 3.12Å; M326-H330 PolarHBondContact O-CD2 3.17Å; M326-H330 PolarHBondContact O-N 3.16Å; K328-H330 VanDerWaalsContact C-N 3.27Å; K328-H330 PolarHBondContact O-N 2.87Å; H330-C332 PolarHBondContact O-N 2.86Å; H330-I343 HydrophobicContact CB-CG2 4.36Å; H330-G344 PolarHBondContact O-N 2.91Å; H330-T345 PolarHBondContact O-N 2.8Å
331Q97.9Very high97.2Very high138 Ų13861.9 Ų61.965%0.64530%0.299SS*.THydrogen-bonded Turntrans51.440.5178.8-59.8-178.6-37.400112.5L327 K328 G344L327-Q331 PolarHBondContact O-N 2.91Å; K328-Q331 PolarHBondContact O-N 2.77Å; K328-Q331 VanDerWaalsContact O-N 3.12Å; Q331-G344 VanDerWaalsContact O-CA 3.22Å; Q331-G344 WeakPolarHBondContact O-CA 3.28Å; Q331-G344 PolarHBondContact O-N 3.18Å
332C98.2Very high97.3Very high30 Ų3062.3 Ų62.320%0.20330%0.302CS..  trans-67.3148.9-173.9-61.10000112L327 H330 L341 V342L327-C332 HydrophobicContact CB-CB 4.38Å; L327-C332 HydrophobicContact CD2-CB 3.77Å; L327-C332 PolarHBondContact O-N 2.82Å; H330-C332 PolarHBondContact O-N 2.86Å; C332-L341 HydrophobicContact CB-CD1 4.02Å; C332-V342 CarbonylContact C-O 3.06Å; C332-V342 WeakPolarHBondContact CA-O 3.12Å; C332-V342 WeakPolarHBondContact CB-O 2.91Å
333S98.3Very high97.3Very high67 Ų6761.7 Ų61.747%0.46930%0.299SS..EExtended strand (participates in β ladder)trans-119.2121.7169.9-164.80000109.5D335 V342S333-D335 PolarHBondContact O-N 3.03Å; S333-V342 PolarHBondContact N-O 2.79Å; S333-V342 PolarHBondContact O-N 3.23Å
334I98.2Very high97.3Very high57 Ų5763.4 Ų63.429%0.29232%0.317SS..EExtended strand (participates in β ladder)trans-85.996173.4-61.9172.9000106.4L236 V251 L327 L336 L341 F352L236-I334 HydrophobicContact CD1-CG2 3.78Å; V251-I334 HydrophobicContact CG1-CD1 3.86Å; V251-I334 HydrophobicContact CG1-CG1 4.27Å; L327-I334 HydrophobicContact CD1-CD1 4.28Å; I334-L336 HydrophobicContact CG2-CD2 3.83Å; I334-L336 HydrophobicContact CG2-CG 4.22Å; I334-L341 HydrophobicContact CG1-CD1 3.75Å; I334-F352 HydrophobicContact CG2-CE2 4.19Å; I334-F352 HydrophobicContact CG2-CZ 3.91Å
335D97.3Very high97.2Very high36 Ų3664.1 Ų64.119%0.19332%0.324CS..EExtended strand (participates in β ladder)trans-96.294.2-178.2-173.2-19.8000109.5S333 K337 K338 N339 V340S333-D335 PolarHBondContact O-N 3.03Å; D335-K337 VanDerWaalsContact C-N 3.27Å; D335-K337 PolarHBondContact O-N 2.75Å; D335-K337 WeakPolarHBondContact OD1-CA 3.45Å; D335-K337 WeakPolarHBondContact OD1-CB 3.13Å; D335-K337 PolarHBondContact OD1-N 3.42Å; D335-K338 PolarHBondContact OD1-N 2.77Å; D335-K338 VanDerWaalsContact OD2-CD 3.3Å; D335-K338 WeakPolarHBondContact OD2-CD 3.42Å; D335-K338 WeakPolarHBondContact OD2-CG 3.46Å; D335-K338 IonicContact OD2-NZ 3.87Å; D335-N339 VanDerWaalsContact O-CA 3.3Å; D335-N339 WeakPolarHBondContact O-CA 3.47Å; D335-N339 PolarHBondContact O-N 2.56Å; D335-V340 HydrophobicContact CB-CG2 4.1Å; D335-V340 PolarHBondContact N-O 3.38Å; D335-V340 PolarHBondContact O-N 3.23Å
336L95.8Very high97.1Very high114 Ų11465.5 Ų65.560%0.59733%0.334SS*.THydrogen-bonded Turntrans-73.2-18.8178-58.2179.7000112.8L236 I334 F352L236-L336 HydrophobicContact CD1-CD2 3.97Å; L236-L336 HydrophobicContact CD2-CD2 3.84Å; I334-L336 HydrophobicContact CG2-CD2 3.83Å; I334-L336 HydrophobicContact CG2-CG 4.22Å; L336-F352 HydrophobicContact CD2-CE2 4.39Å
337K94.6Very high97Very high202 Ų20267.3 Ų67.388%0.87835%0.354SS*.THydrogen-bonded Turntrans-72.9-38.9176.4-177.9176.5-179.1175.10111D335D335-K337 VanDerWaalsContact C-N 3.27Å; D335-K337 PolarHBondContact O-N 2.75Å; D335-K337 WeakPolarHBondContact OD1-CA 3.45Å; D335-K337 WeakPolarHBondContact OD1-CB 3.13Å; D335-K337 PolarHBondContact OD1-N 3.42Å
338K96Very high96.9Very high133 Ų13368.5 Ų68.558%0.57836%0.363SS*.THydrogen-bonded Turntrans-93-9.7175.1-66-178.2-169.1166.20113.5D335 V340D335-K338 PolarHBondContact OD1-N 2.77Å; D335-K338 VanDerWaalsContact OD2-CD 3.3Å; D335-K338 WeakPolarHBondContact OD2-CD 3.42Å; D335-K338 WeakPolarHBondContact OD2-CG 3.46Å; D335-K338 IonicContact OD2-NZ 3.87Å; K338-V340 HydrophobicContact CB-CG1 4.43Å; K338-V340 HydrophobicContact CB-CG2 3.89Å
339N96.4Very high96.9Very high72 Ų7266.2 Ų66.239%0.38535%0.354SS..THydrogen-bonded Turntrans5746-173.3-159.938.9000113.1D335 F352D335-N339 VanDerWaalsContact O-CA 3.3Å; D335-N339 WeakPolarHBondContact O-CA 3.47Å; D335-N339 PolarHBondContact O-N 2.56Å; N339-F352 PolarHBondContact O-N 3.06Å; N339-F352 WeakPolarHBondContact OD1-CD2 3.06Å
340V98Very high96.9Very high12 Ų1260 Ų607%0.07333%0.332CS..EExtended strand (participates in β ladder)trans-133.8151.7179.9-57.20000112.1D335 K338 V342 Q349 T350 F352D335-V340 HydrophobicContact CB-CG2 4.1Å; D335-V340 PolarHBondContact N-O 3.38Å; D335-V340 PolarHBondContact O-N 3.23Å; K338-V340 HydrophobicContact CB-CG1 4.43Å; K338-V340 HydrophobicContact CB-CG2 3.89Å; V340-V342 HydrophobicContact CG2-CG2 4.04Å; V340-Q349 HydrophobicContact CB-CB 4.5Å; V340-T350 CarbonylContact C-O 3.54Å; V340-T350 VanDerWaalsContact CA-O 3.26Å; V340-T350 WeakPolarHBondContact CA-O 3.24Å; V340-T350 WeakPolarHBondContact CB-O 3.29Å; V340-F352 WeakPolarHBondContact O-CE2 3.42Å
341L98.4Very high96.9Very high0 Ų063.7 Ų63.70%036%0.355CS..EExtended strand (participates in β ladder)trans-94.2117.4161.7-174.772.1000109.1I238 V251 L322 L327 C332 I334 I343 Q349 T350 F352I238-L341 HydrophobicContact CD1-CD2 3.74Å; I238-L341 HydrophobicContact CG2-CB 4.17Å; I238-L341 HydrophobicContact CG2-CD2 4.47Å; V251-L341 HydrophobicContact CG1-CD1 4.46Å; L322-L341 HydrophobicContact CD2-CD2 4.19Å; L327-L341 HydrophobicContact CD2-CD1 4.07Å; C332-L341 HydrophobicContact CB-CD1 4.02Å; I334-L341 HydrophobicContact CG1-CD1 3.75Å; L341-I343 HydrophobicContact CD2-CD1 4.1Å; L341-I343 HydrophobicContact CG-CD1 4.33Å; L341-Q349 WeakPolarHBondContact O-CA 3.48Å; L341-T350 HydrophobicContact CB-CG2 3.88Å; L341-T350 PolarHBondContact N-O 3.13Å; L341-T350 PolarHBondContact O-N 3.02Å; L341-F352 HydrophobicContact CB-CE1 3.91Å; L341-F352 HydrophobicContact CB-CZ 3.88Å; L341-F352 HydrophobicContact CD1-CZ 4.41Å
342V98.3Very high96.9Very high28 Ų2857.4 Ų57.417%0.1733%0.325CS..EExtended strand (participates in β ladder)trans-89.8131173.7-1730000109.1C332 S333 V340 Q349C332-V342 CarbonylContact C-O 3.06Å; C332-V342 WeakPolarHBondContact CA-O 3.12Å; C332-V342 WeakPolarHBondContact CB-O 2.91Å; S333-V342 PolarHBondContact N-O 2.79Å; S333-V342 PolarHBondContact O-N 3.23Å; V340-V342 HydrophobicContact CG2-CG2 4.04Å; V342-Q349 HydrophobicContact CB-CG 4.45Å; V342-Q349 HydrophobicContact CG1-CG 4.24Å; V342-Q349 HydrophobicContact CG2-CG 4.09Å
343I98Very high96.7Very high0 Ų056.4 Ų56.40%032%0.318CS..  trans-91.6103.5172.8-51.1-54.3000108.3I301 L306 H330 L341 T345 T346 G347 S348I301-I343 HydrophobicContact CD1-CD1 3.95Å; L306-I343 HydrophobicContact CD1-CD1 4.03Å; L306-I343 HydrophobicContact CD1-CG1 4.32Å; L306-I343 HydrophobicContact CD1-CG2 3.85Å; L306-I343 HydrophobicContact CD2-CG2 3.93Å; H330-I343 HydrophobicContact CB-CG2 4.36Å; L341-I343 HydrophobicContact CD2-CD1 4.1Å; L341-I343 HydrophobicContact CG-CD1 4.33Å; I343-T345 VanDerWaalsContact C-N 3.28Å; I343-T345 PolarHBondContact O-N 3.29Å; I343-T346 WeakPolarHBondContact CG2-OG1 3.35Å; I343-T346 PolarHBondContact O-N 3.07Å; I343-G347 WeakPolarHBondContact O-CA 3.35Å; I343-G347 PolarHBondContact O-N 3.05Å; I343-S348 PolarHBondContact N-O 2.85Å
344G95.9Very high96.4Very high36 Ų3656.6 Ų56.637%0.37132%0.318SS..THydrogen-bonded Turntrans-62.9-31.5-170.500000114.4H330 Q331 T346H330-G344 PolarHBondContact O-N 2.91Å; Q331-G344 VanDerWaalsContact O-CA 3.22Å; Q331-G344 WeakPolarHBondContact O-CA 3.28Å; Q331-G344 PolarHBondContact O-N 3.18Å; G344-T346 VanDerWaalsContact C-N 3.3Å; G344-T346 PolarHBondContact O-N 2.84Å
345T94.9Very high95.9Very high73 Ų7359.2 Ų59.245%0.44833%0.329SS..THydrogen-bonded Turntrans-68.7-25.3-179.750.10000114.2H330 I343H330-T345 PolarHBondContact O-N 2.8Å; I343-T345 VanDerWaalsContact C-N 3.28Å; I343-T345 PolarHBondContact O-N 3.29Å
346T95.1Very high95.5Very high69 Ų6961 Ų6142%0.42336%0.356SS..THydrogen-bonded Turntrans-120.3-20.6-174.855.80000113.1D304 I343 G344 S348D304-T346 HydrophobicContact CB-CG2 4.48Å; D304-T346 WeakPolarHBondContact OD2-CB 3.41Å; D304-T346 WeakPolarHBondContact OD2-CG2 3.27Å; D304-T346 PolarHBondContact OD2-OG1 2.94Å; I343-T346 WeakPolarHBondContact CG2-OG1 3.35Å; I343-T346 PolarHBondContact O-N 3.07Å; G344-T346 VanDerWaalsContact C-N 3.3Å; G344-T346 PolarHBondContact O-N 2.84Å; T346-S348 PolarHBondContact O-N 3.35Å; T346-S348 PolarHBondContact OG1-N 3.12Å
347G93.9Very high95.2Very high44 Ų4460 Ų6045%0.45435%0.348SS..  trans80.2-3.5-173.200000114.1I343I343-G347 WeakPolarHBondContact O-CA 3.35Å; I343-G347 PolarHBondContact O-N 3.05Å
348S96.2Very high95Very high35 Ų3550.8 Ų50.825%0.24531%0.308CS..  trans-64.6154.1176.8-620000111.6D304 I343 T346D304-S348 WeakPolarHBondContact OD2-CB 3.48Å; D304-S348 PolarHBondContact OD2-OG 2.93Å; I343-S348 PolarHBondContact N-O 2.85Å; T346-S348 PolarHBondContact O-N 3.35Å; T346-S348 PolarHBondContact OG1-N 3.12Å
349Q97.5Very high94.5Very high98 Ų9845.8 Ų45.846%0.45829%0.289SS..EExtended strand (participates in β ladder)trans-133.4138.5-177.5-56179.923.700108.8V340 L341 V342V340-Q349 HydrophobicContact CB-CB 4.5Å; L341-Q349 WeakPolarHBondContact O-CA 3.48Å; V342-Q349 HydrophobicContact CB-CG 4.45Å; V342-Q349 HydrophobicContact CG1-CG 4.24Å; V342-Q349 HydrophobicContact CG2-CG 4.09Å
350T97.8Very high93.7Very high5 Ų548.7 Ų48.73%0.03130%0.301CS..EExtended strand (participates in β ladder)trans-122.2138.4169.4177.40000108.6I238 I301 V340 L341I238-T350 HydrophobicContact CB-CG2 4Å; I238-T350 HydrophobicContact CD1-CG2 4.11Å; I238-T350 HydrophobicContact CG2-CG2 3.73Å; I301-T350 HydrophobicContact CG2-CG2 3.6Å; V340-T350 CarbonylContact C-O 3.54Å; V340-T350 VanDerWaalsContact CA-O 3.26Å; V340-T350 WeakPolarHBondContact CA-O 3.24Å; V340-T350 WeakPolarHBondContact CB-O 3.29Å; L341-T350 HydrophobicContact CB-CG2 3.88Å; L341-T350 PolarHBondContact N-O 3.13Å; L341-T350 PolarHBondContact O-N 3.02Å
351T97.8Very high92.6Very high89 Ų8949.9 Ų49.955%0.54631%0.309SS..EExtended strand (participates in β ladder)trans-74.7143.8177.5-50.80000110.5
352F97.9Very high91.4Very high5 Ų550.5 Ų50.52%0.02231%0.314CS..PPolyproline II helixtrans-69.9143169.2-66.9-60.2000110.4L236 Y237 I238 V251 I334 L336 N339 V340 L341L236-F352 HydrophobicContact CB-CD1 3.97Å; L236-F352 HydrophobicContact CB-CE1 3.97Å; L236-F352 HydrophobicContact CD1-CZ 4.31Å; L236-F352 HydrophobicContact CD2-CD1 4.27Å; L236-F352 HydrophobicContact CD2-CD2 3.98Å; L236-F352 HydrophobicContact CD2-CE1 4.48Å; L236-F352 HydrophobicContact CD2-CE2 4.21Å; L236-F352 HydrophobicContact CD2-CG 4.05Å; L236-F352 HydrophobicContact CD2-CZ 4.47Å; Y237-F352 CarbonylContact O-C 3.53Å; Y237-F352 VanDerWaalsContact O-CA 3.24Å; Y237-F352 WeakPolarHBondContact O-CA 3.25Å; I238-F352 HydrophobicContact CG2-CD1 3.61Å; I238-F352 HydrophobicContact CG2-CE1 3.82Å; V251-F352 HydrophobicContact CB-CE1 4.41Å; V251-F352 HydrophobicContact CG2-CE1 4.13Å; I334-F352 HydrophobicContact CG2-CE2 4.19Å; I334-F352 HydrophobicContact CG2-CZ 3.91Å; L336-F352 HydrophobicContact CD2-CE2 4.39Å; N339-F352 PolarHBondContact O-N 3.06Å; N339-F352 WeakPolarHBondContact OD1-CD2 3.06Å; V340-F352 WeakPolarHBondContact O-CE2 3.42Å; L341-F352 HydrophobicContact CB-CE1 3.91Å; L341-F352 HydrophobicContact CB-CZ 3.88Å; L341-F352 HydrophobicContact CD1-CZ 4.41Å
353L94.9Very high90.1Very high10 Ų1054.6 Ų54.65%0.05233%0.327CS..PPolyproline II helixtrans-66.2139-177.5-59.8-174.1000111.3Y237 N239 K248 E357 L358Y237-L353 PolarHBondContact O-N 3.04Å; N239-L353 VanDerWaalsContact ND2-CD2 3.32Å; N239-L353 WeakPolarHBondContact ND2-CD2 3.42Å; K248-L353 HydrophobicContact CB-CD1 4.37Å; K248-L353 HydrophobicContact CD-CD1 3.77Å; K248-L353 HydrophobicContact CG-CD1 3.91Å; L353-E357 HydrophobicContact CB-CB 4.24Å; L353-L358 HydrophobicContact CB-CD2 4.39Å
354P92.2Very high88.1Confident71 Ų7159.4 Ų59.446%0.46135%0.352SS..PPolyproline II helixtrans-68.9161.8167.931.7-35.3000110.5G356 E357P354-G356 VanDerWaalsContact C-N 3.3Å; P354-G356 PolarHBondContact O-N 2.78Å; P354-E357 HydrophobicContact CG-CB 4.14Å; P354-E357 HydrophobicContact CG-CG 3.94Å; P354-E357 PolarHBondContact O-N 2.89Å
355E87.5Confident86.1Confident112 Ų11260.8 Ų60.852%0.52336%0.36SS..G310 helixtrans-52.2-44-177.2-169.8-170.9163.200113.7V234 E357 L358V234-E355 HydrophobicContact CG1-CB 4.31Å; V234-E355 HydrophobicContact CG2-CB 4.04Å; V234-E355 HydrophobicContact CG2-CG 4.3Å; E355-E357 PolarHBondContact O-N 2.93Å; E355-E357 VanDerWaalsContact O-N 3.12Å; E355-L358 WeakPolarHBondContact O-CB 3.29Å; E355-L358 PolarHBondContact O-N 3.11Å
356G87.7Confident84Confident73 Ų7365.3 Ų65.375%0.75337%0.37SS*.G310 helixtrans-64.2-16.5179.600000114.5P354P354-G356 VanDerWaalsContact C-N 3.3Å; P354-G356 PolarHBondContact O-N 2.78Å
357E90.1Very high81.5Confident92 Ų9263.6 Ų63.643%0.4337%0.366SS..G310 helixtrans-1003176.3-68.6-174.8-147.300112.9K248 L353 P354 E355K248-E357 WeakPolarHBondContact CE-O 3.46Å; K248-E357 PolarHBondContact NZ-O 3.11Å; L353-E357 HydrophobicContact CB-CB 4.24Å; P354-E357 HydrophobicContact CG-CB 4.14Å; P354-E357 HydrophobicContact CG-CG 3.94Å; P354-E357 PolarHBondContact O-N 2.89Å; E355-E357 PolarHBondContact O-N 2.93Å; E355-E357 VanDerWaalsContact O-N 3.12Å
358L89.6Confident78.8Confident9 Ų965.1 Ų65.15%0.04737%0.374CS..SBendtrans-72.4146.1178.1-70.7-177.3000112.7V234 Y237 L353 E355 A362 R363V234-L358 HydrophobicContact CG1-CD1 3.61Å; V234-L358 HydrophobicContact CG1-CG 4.37Å; Y237-L358 HydrophobicContact CD2-CD2 3.28Å; Y237-L358 HydrophobicContact CE2-CD2 4Å; Y237-L358 HydrophobicContact CG-CD2 3.65Å; L353-L358 HydrophobicContact CB-CD2 4.39Å; E355-L358 WeakPolarHBondContact O-CB 3.29Å; E355-L358 PolarHBondContact O-N 3.11Å; L358-A362 HydrophobicContact CB-CB 4.19Å; L358-A362 HydrophobicContact CD1-CB 4.34Å; L358-R363 HydrophobicContact CB-CG 3.92Å; L358-R363 PolarHBondContact O-NE 3.45Å
359P86.4Confident76.3Confident29 Ų2965.9 Ų65.919%0.18839%0.388CS..  trans-55150.5168.2-21.832.7000111.7Y237 K248 C361 A362 R363Y237-P359 HydrophobicContact CD1-CG 4.17Å; Y237-P359 HydrophobicContact CE1-CG 3.82Å; K248-P359 HydrophobicContact CB-CG 4.16Å; K248-P359 HydrophobicContact CD-CG 4.06Å; P359-C361 VanDerWaalsContact C-N 3.26Å; P359-C361 PolarHBondContact O-N 2.92Å; P359-A362 WeakPolarHBondContact O-CB 3.33Å; P359-A362 PolarHBondContact O-N 3.11Å; P359-R363 PolarHBondContact O-N 2.88Å; P359-R363 VanDerWaalsContact O-N 3.12Å
360E79.7Confident73.7Confident133 Ų13371.9 Ų71.962%0.62141%0.406SS*.Hα-helixtrans-53.3-42.7179.2-78177.8-177.100112.4A362 R363 L364E360-A362 PolarHBondContact O-N 3.39Å; E360-A362 VanDerWaalsContact O-N 3.14Å; E360-R363 PolarHBondContact O-N 2.66Å; E360-R363 IonicContact OE1-NH2 3.45Å; E360-L364 HydrophobicContact CB-CD1 4.24Å; E360-L364 WeakPolarHBondContact O-CB 3.28Å; E360-L364 WeakPolarHBondContact O-CG 3.22Å; E360-L364 PolarHBondContact O-N 2.88Å
361C74.8Confident71Confident37 Ų3780.7 Ų80.725%0.2545%0.447CS..Hα-helixtrans-58.4-31177.864.90000113.5P317 P359 A365P317-C361 HydrophobicContact CB-CB 3.81Å; P317-C361 PolarHBondContact O-SG 3.05Å; P359-C361 VanDerWaalsContact C-N 3.26Å; P359-C361 PolarHBondContact O-N 2.92Å; C361-A365 WeakPolarHBondContact O-CB 3.47Å; C361-A365 PolarHBondContact O-N 2.81Å; C361-A365 VanDerWaalsContact O-N 3.13Å
362A73.7Confident68.4Low13 Ų1383.9 Ų83.911%0.10746%0.461CS..Hα-helixtrans-83.3-28.4178.300000112.5Y237 L358 P359 E360Y237-A362 HydrophobicContact CE2-CB 3.68Å; L358-A362 HydrophobicContact CB-CB 4.19Å; L358-A362 HydrophobicContact CD1-CB 4.34Å; P359-A362 WeakPolarHBondContact O-CB 3.33Å; P359-A362 PolarHBondContact O-N 3.11Å; E360-A362 PolarHBondContact O-N 3.39Å; E360-A362 VanDerWaalsContact O-N 3.14Å
363R69.8Low65.8Low114 Ų11486.1 Ų86.143%0.4347%0.474SS..Hα-helixtrans-72.8-40.5171-66.3-170.7-80136.3-3111.6L358 P359 E360 G367L358-R363 HydrophobicContact CB-CG 3.92Å; L358-R363 PolarHBondContact O-NE 3.45Å; P359-R363 PolarHBondContact O-N 2.88Å; P359-R363 VanDerWaalsContact O-N 3.12Å; E360-R363 PolarHBondContact O-N 2.66Å; E360-R363 IonicContact OE1-NH2 3.45Å; R363-G367 PolarHBondContact O-N 3.47Å
364L57Low63.5Low101 Ų10192.5 Ų92.553%0.52950%0.498SS..Hα-helixtrans-82.3-27.1-174.7-61.7172.3000113.7E360 Y366 A368E360-L364 HydrophobicContact CB-CD1 4.24Å; E360-L364 WeakPolarHBondContact O-CB 3.28Å; E360-L364 WeakPolarHBondContact O-CG 3.22Å; E360-L364 PolarHBondContact O-N 2.88Å; L364-Y366 PolarHBondContact O-N 3.24Å; L364-A368 HydrophobicContact CD2-CB 3.35Å
365A52.8Low61.4Low65 Ų6594.4 Ų94.454%0.53751%0.51SS..Hα-helixtrans-59.5-17.4-179.100000113.7C361C361-A365 WeakPolarHBondContact O-CB 3.47Å; C361-A365 PolarHBondContact O-N 2.81Å; C361-A365 VanDerWaalsContact O-N 3.13Å
366Y51.7Low59.6Low168 Ų16895.3 Ų95.366%0.65952%0.515SS*.Hα-helixtrans-137.31.7179.9-67-79.6000115.1Q232 L364Q232-Y366 PolarHBondContact NE2-O 3.43Å; L364-Y366 PolarHBondContact O-N 3.24Å
367G41.8Very low57.8Low33 Ų3395.2 Ų95.234%0.3450%0.495SS..Hα-helixtrans-157.138.8-163.800000118.3R363R363-G367 PolarHBondContact O-N 3.47Å
368A38.5Very low56.1Low75 Ų7594.1 Ų94.162%0.6249%0.491SS*.SBendtrans-125.331.517000000114.2L364L364-A368 HydrophobicContact CD2-CB 3.35Å
369G42.2Very low54.5Low52 Ų5296.2 Ų96.254%0.53651%0.51SS..SBendtrans-148.910.9-17800000116.2
370R43.8Very low53.5Low223 Ų223100 Ų10084%0.84253%0.528SS*.SBendtrans-128.2-10.8179-79.8-169.3174.6173.6-2.1116
371E41.8Very low52.7Low190 Ų19099.9 Ų99.989%0.88853%0.528SS*.SBendtrans-85.3-19.8177.5-66.9-169.5148.100113.2
372D43.1Very low52.4Low157 Ų157104.2 Ų104.284%0.8454%0.544SS*.SBendtrans-111-5.6-178.6-83-33.2000115R374D372-R374 PolarHBondContact O-N 3.32Å
373V42.8Very low52.2Low51 Ų51108.5 Ų108.531%0.30957%0.565SS.*SBendtrans-92109.5178-1670000108.3E377 I378V373-E377 HydrophobicContact CG1-CB 3.73Å; V373-I378 HydrophobicContact CB-CD1 4.48Å; V373-I378 HydrophobicContact CB-CG1 4.23Å; V373-I378 HydrophobicContact CG1-CD1 4.27Å; V373-I378 HydrophobicContact CG1-CG1 3.5Å
374R47.4Very low52.3Low144 Ų144105.6 Ų105.654%0.54357%0.565SS.*  trans-61.5142.5177.4-65.8179.7-70.5158.60.6108.4D372 E376 E377 I378D372-R374 PolarHBondContact O-N 3.32Å; R374-E376 PolarHBondContact O-N 3.04Å; R374-E377 HydrophobicContact CB-CG 4.29Å; R374-E377 IonicContact CZ-OE1 2.9Å; R374-E377 VanDerWaalsContact CZ-OE1 3.25Å; R374-E377 PolarHBondContact N-OE2 2.9Å; R374-E377 VanDerWaalsContact N-OE2 3.14Å; R374-E377 IonicContact NE-OE1 3.95Å; R374-E377 PolarHBondContact NE-OE1 3.23Å; R374-E377 IonicContact NH2-OE1 2.73Å; R374-E377 PolarHBondContact NH2-OE1 3.21Å; R374-E377 WeakPolarHBondContact O-CB 3.25Å; R374-E377 PolarHBondContact O-N 3.33Å; R374-I378 PolarHBondContact O-N 3.25Å
375P47.6Very low53Low111 Ų111107.3 Ų107.372%0.72157%0.57SS**Hα-helixtrans-51.5-30.1177.2-28.534.7000113.9A379P375-A379 PolarHBondContact O-N 3.25Å; P375-A379 VanDerWaalsContact O-N 3.17Å
376E50Low53.9Low132 Ų132106.7 Ų106.762%0.61757%0.566SS**Hα-helixtrans-63-37.5173.1-64.7180163.600113R374 A379 D380R374-E376 PolarHBondContact O-N 3.04Å; E376-A379 PolarHBondContact O-N 3.44Å; E376-D380 WeakPolarHBondContact O-CB 3.25Å; E376-D380 PolarHBondContact O-N 2.87Å
377E49.2Very low55Low71 Ų71104 Ų10433%0.33256%0.562SS.*Hα-helixtrans-75-32.6-179.1-68.2166.3175.600111.9V373 R374 Q381V373-E377 HydrophobicContact CG1-CB 3.73Å; R374-E377 HydrophobicContact CB-CG 4.29Å; R374-E377 IonicContact CZ-OE1 2.9Å; R374-E377 VanDerWaalsContact CZ-OE1 3.25Å; R374-E377 PolarHBondContact N-OE2 2.9Å; R374-E377 VanDerWaalsContact N-OE2 3.14Å; R374-E377 IonicContact NE-OE1 3.95Å; R374-E377 PolarHBondContact NE-OE1 3.23Å; R374-E377 IonicContact NH2-OE1 2.73Å; R374-E377 PolarHBondContact NH2-OE1 3.21Å; R374-E377 WeakPolarHBondContact O-CB 3.25Å; R374-E377 PolarHBondContact O-N 3.33Å; E377-Q381 VanDerWaalsContact O-CB 3.28Å; E377-Q381 WeakPolarHBondContact O-CB 3.47Å; E377-Q381 PolarHBondContact O-N 3.07Å
378I53.8Low56.7Low69 Ų69108.2 Ų108.235%0.35457%0.573SS.*Hα-helixtrans-66.8-45.3172.8-55.6178.3000109.8V373 R374 Q381 E382V373-I378 HydrophobicContact CB-CD1 4.48Å; V373-I378 HydrophobicContact CB-CG1 4.23Å; V373-I378 HydrophobicContact CG1-CD1 4.27Å; V373-I378 HydrophobicContact CG1-CG1 3.5Å; R374-I378 PolarHBondContact O-N 3.25Å; I378-Q381 PolarHBondContact O-N 3.17Å; I378-E382 WeakPolarHBondContact O-CG 3.46Å; I378-E382 PolarHBondContact O-N 3.21Å
379A57.2Low58.4Low53 Ų53111.5 Ų111.544%0.43857%0.573SS.*Hα-helixtrans-64-40.4177.900000112.4P375 E376 Q381 L383P375-A379 PolarHBondContact O-N 3.25Å; P375-A379 VanDerWaalsContact O-N 3.17Å; E376-A379 PolarHBondContact O-N 3.44Å; A379-Q381 VanDerWaalsContact C-N 3.33Å; A379-L383 VanDerWaalsContact O-CB 3.26Å; A379-L383 WeakPolarHBondContact O-CB 3.5Å; A379-L383 PolarHBondContact O-N 3.22Å
380D64.5Low59.9Low108 Ų108112.7 Ų112.758%0.57857%0.573SS**Hα-helixtrans-65.5-36.5175.2-81.2-12.1000112E376 A384E376-D380 WeakPolarHBondContact O-CB 3.25Å; E376-D380 PolarHBondContact O-N 2.87Å; D380-A384 VanDerWaalsContact O-CB 3.3Å; D380-A384 WeakPolarHBondContact O-CB 3.46Å; D380-A384 PolarHBondContact O-N 3.12Å
381Q62.8Low61.4Low131 Ų131104.7 Ų104.761%0.61256%0.555SS**Hα-helixtrans-72.1-41.5179.2-156.4169.820.700111.8E377 I378 A379 A384 E385E377-Q381 VanDerWaalsContact O-CB 3.28Å; E377-Q381 WeakPolarHBondContact O-CB 3.47Å; E377-Q381 PolarHBondContact O-N 3.07Å; I378-Q381 PolarHBondContact O-N 3.17Å; A379-Q381 VanDerWaalsContact C-N 3.33Å; Q381-A384 PolarHBondContact O-N 3.3Å; Q381-E385 PolarHBondContact O-N 3.04Å
382E69.7Low63Low128 Ų128100.2 Ų100.260%0.59853%0.534SS*.Hα-helixtrans-65.6-39.3173.6-72.4-178.4167.300111.9I378 E385 A386I378-E382 WeakPolarHBondContact O-CG 3.46Å; I378-E382 PolarHBondContact O-N 3.21Å; E382-E385 PolarHBondContact O-N 3.5Å; E382-A386 WeakPolarHBondContact O-CB 3.37Å; E382-A386 PolarHBondContact O-N 2.87Å
383L68.3Low64.4Low103 Ų10396.6 Ų96.654%0.53952%0.515SS..Hα-helixtrans-64.9-41174.9-173.168.3000111.4A379 A386 L387A379-L383 VanDerWaalsContact O-CB 3.26Å; A379-L383 WeakPolarHBondContact O-CB 3.5Å; A379-L383 PolarHBondContact O-N 3.22Å; L383-A386 PolarHBondContact O-N 3.33Å; L383-L387 HydrophobicContact CG-CD1 4.15Å; L383-L387 WeakPolarHBondContact O-CB 3.31Å; L383-L387 VanDerWaalsContact O-CG 3.24Å; L383-L387 WeakPolarHBondContact O-CG 3.45Å; L383-L387 PolarHBondContact O-N 2.84Å
384A72.2Confident65.7Low53 Ų5396.9 Ų96.944%0.43852%0.522SS..Hα-helixtrans-64-43.7176.600000112.1D380 Q381 L387 Q388D380-A384 VanDerWaalsContact O-CB 3.3Å; D380-A384 WeakPolarHBondContact O-CB 3.46Å; D380-A384 PolarHBondContact O-N 3.12Å; Q381-A384 PolarHBondContact O-N 3.3Å; A384-L387 PolarHBondContact O-N 3.18Å; A384-Q388 WeakPolarHBondContact O-CB 3.47Å; A384-Q388 PolarHBondContact O-N 2.81Å
385E71.9Confident66.7Low136 Ų13697.1 Ų97.164%0.63653%0.529SS*.Hα-helixtrans-63.7-41.7174.8-81-168.7159.200112.2Q381 E382 L387 Q388 K389Q381-E385 PolarHBondContact O-N 3.04Å; E382-E385 PolarHBondContact O-N 3.5Å; E385-L387 VanDerWaalsContact C-N 3.34Å; E385-L387 PolarHBondContact O-N 2.81Å; E385-Q388 PolarHBondContact O-N 2.89Å; E385-K389 WeakPolarHBondContact O-CB 3.38Å; E385-K389 PolarHBondContact O-N 3.04Å
386A72Confident67.4Low53 Ų53101.9 Ų101.944%0.43853%0.533SS..Hα-helixtrans-64-38.8177.300000112.2E382 L383 S390E382-A386 WeakPolarHBondContact O-CB 3.37Å; E382-A386 PolarHBondContact O-N 2.87Å; L383-A386 PolarHBondContact O-N 3.33Å; A386-S390 VanDerWaalsContact O-CB 3.3Å; A386-S390 WeakPolarHBondContact O-CB 3.18Å; A386-S390 PolarHBondContact O-N 3.49Å; A386-S390 PolarHBondContact O-OG 2.78Å
387L75.4Confident67.8Low112 Ų112103.2 Ų103.259%0.58654%0.539SS*.Hα-helixtrans-68.4-41175.4-74.8167.8000111.8L383 A384 E385 S390 A391L383-L387 HydrophobicContact CG-CD1 4.15Å; L383-L387 WeakPolarHBondContact O-CB 3.31Å; L383-L387 VanDerWaalsContact O-CG 3.24Å; L383-L387 WeakPolarHBondContact O-CG 3.45Å; L383-L387 PolarHBondContact O-N 2.84Å; A384-L387 PolarHBondContact O-N 3.18Å; E385-L387 VanDerWaalsContact C-N 3.34Å; E385-L387 PolarHBondContact O-N 2.81Å; L387-S390 PolarHBondContact O-N 3.1Å; L387-A391 WeakPolarHBondContact O-CB 3.49Å; L387-A391 PolarHBondContact O-N 3.46Å
388Q76.6Confident67.9Low120 Ų120107.7 Ų107.756%0.56156%0.558SS**Hα-helixtrans-66.4-44.9179.5-170.5170.71.200111.5A384 E385 S390 A391 E392A384-Q388 WeakPolarHBondContact O-CB 3.47Å; A384-Q388 PolarHBondContact O-N 2.81Å; E385-Q388 PolarHBondContact O-N 2.89Å; Q388-S390 VanDerWaalsContact C-N 3.33Å; Q388-S390 PolarHBondContact O-N 2.97Å; Q388-A391 WeakPolarHBondContact O-CB 3.38Å; Q388-A391 PolarHBondContact O-N 3.02Å; Q388-E392 WeakPolarHBondContact O-CG 3.3Å; Q388-E392 PolarHBondContact O-N 3.24Å
389K74.3Confident67.8Low144 Ų144114 Ų11463%0.62660%0.603SS**Hα-helixtrans-63.7-39.4176.4-159.2173.5-175.6178.50112E385 A391 E392 D393E385-K389 WeakPolarHBondContact O-CB 3.38Å; E385-K389 PolarHBondContact O-N 3.04Å; K389-A391 VanDerWaalsContact C-N 3.33Å; K389-A391 PolarHBondContact O-N 3Å; K389-E392 PolarHBondContact O-N 3.03Å; K389-D393 WeakPolarHBondContact O-CB 3.32Å; K389-D393 PolarHBondContact O-N 3.42Å
390S73.4Confident68.3Low77 Ų77117.1 Ų117.154%0.53861%0.611SS.*Hα-helixtrans-65-36.3174.5-58.70000112.4A386 L387 Q388 A394A386-S390 VanDerWaalsContact O-CB 3.3Å; A386-S390 WeakPolarHBondContact O-CB 3.18Å; A386-S390 PolarHBondContact O-N 3.49Å; A386-S390 PolarHBondContact O-OG 2.78Å; L387-S390 PolarHBondContact O-N 3.1Å; Q388-S390 VanDerWaalsContact C-N 3.33Å; Q388-S390 PolarHBondContact O-N 2.97Å; S390-A394 WeakPolarHBondContact O-CB 3.26Å; S390-A394 PolarHBondContact O-N 3.03Å
391A75.7Confident68.6Low55 Ų55117.5 Ų117.546%0.45561%0.613SS.*Hα-helixtrans-69.4-42.4175.600000112L387 Q388 K389 A394 E395L387-A391 WeakPolarHBondContact O-CB 3.49Å; L387-A391 PolarHBondContact O-N 3.46Å; Q388-A391 WeakPolarHBondContact O-CB 3.38Å; Q388-A391 PolarHBondContact O-N 3.02Å; K389-A391 VanDerWaalsContact C-N 3.33Å; K389-A391 PolarHBondContact O-N 3Å; A391-A394 PolarHBondContact O-N 3.22Å; A391-E395 PolarHBondContact O-N 3.3Å
392E75.5Confident68.9Low96 Ų96116.8 Ų116.845%0.44961%0.613SS.*Hα-helixtrans-64.2-40.4176.6-72.5178.2-173.700112.2Q388 K389 E395 R396Q388-E392 WeakPolarHBondContact O-CG 3.3Å; Q388-E392 PolarHBondContact O-N 3.24Å; K389-E392 PolarHBondContact O-N 3.03Å; E392-E395 PolarHBondContact O-N 3.29Å; E392-R396 WeakPolarHBondContact O-CG 3.14Å; E392-R396 PolarHBondContact O-N 2.86Å
393D71.9Confident68.8Low82 Ų82116.1 Ų116.144%0.43961%0.614SS.*Hα-helixtrans-68.8-34.8175.7-78.5-21.6000112K389 R396 Q397K389-D393 WeakPolarHBondContact O-CB 3.32Å; K389-D393 PolarHBondContact O-N 3.42Å; D393-R396 PolarHBondContact O-N 3.39Å; D393-Q397 WeakPolarHBondContact O-CG 3.34Å; D393-Q397 PolarHBondContact O-N 2.72Å
394A69.8Low68.9Low56 Ų56116.9 Ų116.946%0.46362%0.618SS.*Hα-helixtrans-69.3-33.117400000112.9S390 A391S390-A394 WeakPolarHBondContact O-CB 3.26Å; S390-A394 PolarHBondContact O-N 3.03Å; A391-A394 PolarHBondContact O-N 3.22Å
395E68.7Low68.6Low149 Ų149121.2 Ų121.270%0.69663%0.63SS**Hα-helixtrans-72-34.7173.4-77.1-168.8158.100112.5A391 E392 Q397 K398A391-E395 PolarHBondContact O-N 3.3Å; E392-E395 PolarHBondContact O-N 3.29Å; E395-Q397 PolarHBondContact O-N 3.08Å; E395-K398 PolarHBondContact O-N 3.21Å
396R63.7Low68.4Low211 Ų211120.1 Ų120.180%0.79663%0.63SS**Hα-helixtrans-69.8-16.8174.8-75.1177.4179.9-137.82.6114.2E392 D393E392-R396 WeakPolarHBondContact O-CG 3.14Å; E392-R396 PolarHBondContact O-N 2.86Å; D393-R396 PolarHBondContact O-N 3.39Å
397Q57.4Low68.1Low161 Ų161125.3 Ų125.375%0.75265%0.645SS**THydrogen-bonded Turntrans-98.62.5180-72-178.218.700114.2D393 E395D393-Q397 WeakPolarHBondContact O-CG 3.34Å; D393-Q397 PolarHBondContact O-N 2.72Å; E395-Q397 PolarHBondContact O-N 3.08Å
398K51.3Low67.5Low165 Ų165126.4 Ų126.472%0.71765%0.65SS**  trans-79127170-79.8178.7-179.51700110.1E395E395-K398 PolarHBondContact O-N 3.21Å
399P52Low66.7Low201 Ų201127 Ų127100%1.30566%0.658SS**  trans-69.60-172.428.8-35.8000114.6

Retrieved 399 of 399 residues in 2046.3 ms (Link to these results)

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