A0A5K4F5D3_SCHMA Loading...

Putative heat shock protein 70

AlphaFold DB , UniProt , Accession A0A5K4F5D3, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 637 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
1M51.1Low87.5Confident161 Ų16129.5 Ų29.579%0.79317%0.165SC*.  0140.70-65.3-164.1-7900108.4N3 R135M1-N3 PolarHBondContact O-N 3.3Å; M1-N3 PolarHBondContact O-OD1 3.48Å; M1-R135 VanDerWaalsContact O-CZ 3.32Å; M1-R135 PolarHBondContact O-NH1 2.82Å; M1-R135 PolarHBondContact O-NH2 3.36Å
2P57Low88.2Confident78 Ų7828.3 Ų28.351%0.50616%0.159SC..PPolyproline II helixtrans-56.3126.1167.624.5-29.7000107.5
3N78.4Confident88.9Confident37 Ų3730.5 Ų30.520%0.19816%0.164CC..PPolyproline II helixtrans-84118.7175.8-69.33.5000106.4M1 V18 L133 R135M1-N3 PolarHBondContact O-N 3.3Å; M1-N3 PolarHBondContact O-OD1 3.48Å; N3-V18 HydrophobicContact CB-CG2 3.67Å; N3-L133 HydrophobicContact CB-CD1 4.33Å; N3-R135 PolarHBondContact ND2-NH2 2.94Å; N3-R135 PolarHBondContact OD1-NH2 3.09Å
4A94.6Very high89.6Confident4 Ų428.4 Ų28.43%0.03315%0.153CC..PPolyproline II helixtrans-67.1148164.800000109.6D139 L168 A375 S379A4-D139 WeakPolarHBondContact CA-O 3.37Å; A4-D139 HydrophobicContact CB-CB 3.75Å; A4-L168 HydrophobicContact CB-CD1 3.78Å; A4-A375 HydrophobicContact CB-CB 3.81Å; A4-S379 WeakPolarHBondContact CB-OG 3.23Å
5I98.2Very high90.2Very high0 Ų026.5 Ų26.50%014%0.143CC..EExtended strand (participates in β ladder)trans-108.9150.6179.758.6171.8000110.9I7 V16 G17 V18 A129 V137 D139 A140 V141I5-I7 HydrophobicContact CD1-CD1 3.72Å; I5-I7 HydrophobicContact CD1-CG1 3.88Å; I5-I7 HydrophobicContact CG1-CD1 4.24Å; I5-I7 HydrophobicContact CG1-CG1 4.14Å; I5-V16 HydrophobicContact CB-CG2 4.1Å; I5-V16 HydrophobicContact CD1-CG2 3.88Å; I5-V16 HydrophobicContact CG1-CG2 4.46Å; I5-G17 WeakPolarHBondContact CA-O 3.46Å; I5-V18 HydrophobicContact CG2-CB 4.44Å; I5-A129 HydrophobicContact CD1-CB 4.09Å; I5-A129 HydrophobicContact CG2-CB 3.85Å; I5-V137 HydrophobicContact CB-CG1 4.41Å; I5-V137 HydrophobicContact CD1-CG1 3.76Å; I5-V137 HydrophobicContact CG1-CG1 3.75Å; I5-V137 HydrophobicContact CG2-CG1 3.87Å; I5-V137 HydrophobicContact CG2-CG2 4.39Å; I5-D139 PolarHBondContact N-O 2.8Å; I5-A140 HydrophobicContact CG1-CB 3.93Å; I5-A140 CarbonylContact O-C 3.25Å; I5-A140 VanDerWaalsContact O-CA 3.25Å; I5-A140 WeakPolarHBondContact O-CA 3.47Å; I5-V141 PolarHBondContact O-N 3.31Å
6G98.6Very high90.7Very high0 Ų025 Ų250%014%0.135CC..EExtended strand (participates in β ladder)trans-97.3128167.200000109.9V16 G17 A371G6-V16 WeakPolarHBondContact O-CA 3.25Å; G6-G17 PolarHBondContact N-O 2.92Å; G6-G17 PolarHBondContact O-N 3.04Å; G6-A371 VanDerWaalsContact CA-C 3.5Å
7I98.8Very high91.2Very high0 Ų023.5 Ų23.50%013%0.127CC..EExtended strand (participates in β ladder)trans-120.8123.2178.7-56172.1000109.3I5 C15 V16 L122 M125 A140 V141 I142 T143 L165I5-I7 HydrophobicContact CD1-CD1 3.72Å; I5-I7 HydrophobicContact CD1-CG1 3.88Å; I5-I7 HydrophobicContact CG1-CD1 4.24Å; I5-I7 HydrophobicContact CG1-CG1 4.14Å; I7-C15 WeakPolarHBondContact CA-O 3.41Å; I7-V16 HydrophobicContact CG1-CG2 4.04Å; I7-L122 HydrophobicContact CD1-CD2 4Å; I7-L122 HydrophobicContact CG2-CD2 3.84Å; I7-M125 HydrophobicContact CD1-CB 4.1Å; I7-M125 HydrophobicContact CG1-CB 4.34Å; I7-M125 HydrophobicContact CG2-CB 4.17Å; I7-M125 HydrophobicContact CG2-CG 3.93Å; I7-A140 HydrophobicContact CD1-CB 4.17Å; I7-V141 PolarHBondContact N-O 3.45Å; I7-I142 WeakPolarHBondContact O-CA 3.24Å; I7-T143 PolarHBondContact O-N 3.44Å; I7-L165 HydrophobicContact CD1-CD1 3.84Å
8D98.5Very high91.5Very high22 Ų2222.2 Ų22.212%0.11812%0.12CC..EExtended strand (participates in β ladder)trans-85.4104.9158-179.919000109.3G10 S14 C15 T143 V367 A368D8-G10 PolarHBondContact O-N 2.98Å; D8-S14 CarbonylContact O-C 3.53Å; D8-S14 WeakPolarHBondContact O-CA 3.14Å; D8-S14 WeakPolarHBondContact O-CB 3.49Å; D8-C15 HydrophobicContact CB-CB 4.22Å; D8-C15 PolarHBondContact N-O 3.23Å; D8-C15 PolarHBondContact O-N 3.12Å; D8-T143 WeakPolarHBondContact CA-OG1 3.43Å; D8-T143 PolarHBondContact OD1-OG1 3.27Å; D8-V367 HydrophobicContact CB-CB 4.13Å; D8-V367 HydrophobicContact CB-CG1 3.75Å; D8-A368 HydrophobicContact CB-CB 3.91Å
9L97.7Very high91.6Very high6 Ų621.4 Ų21.43%0.03112%0.115CC..  trans-86.880174.1178.564.2000108.3K69 V121 L122 I142 T156L9-K69 WeakPolarHBondContact O-CD 3.43Å; L9-K69 WeakPolarHBondContact O-CE 3.26Å; L9-K69 PolarHBondContact O-NZ 2.89Å; L9-V121 HydrophobicContact CD1-CB 4.13Å; L9-V121 HydrophobicContact CD1-CG1 3.92Å; L9-L122 HydrophobicContact CB-CD2 4.28Å; L9-L122 HydrophobicContact CD1-CD2 4.07Å; L9-L122 HydrophobicContact CD1-CG 4.18Å; L9-L122 HydrophobicContact CD2-CD1 4.37Å; L9-L122 HydrophobicContact CD2-CD2 4.27Å; L9-L122 HydrophobicContact CD2-CG 4.34Å; L9-L122 HydrophobicContact CG-CD2 4.44Å; L9-I142 HydrophobicContact CB-CG2 4.03Å; L9-T156 HydrophobicContact CD2-CG2 4.22Å
10G95.5Very high91.6Very high9 Ų922.1 Ų22.19%0.09312%0.117CC..  trans-84.5164.2-174.300000114.5D8 Y13 S14 S38D8-G10 PolarHBondContact O-N 2.98Å; G10-Y13 CarbonylContact C-O 3.58Å; G10-Y13 WeakPolarHBondContact CA-O 3.5Å; G10-Y13 PolarHBondContact N-O 3.41Å; G10-S14 PolarHBondContact N-OG 3.15Å; G10-S38 WeakPolarHBondContact O-CB 3.31Å; G10-S38 PolarHBondContact O-OG 3.19Å
11T94.6Very high91.4Very high7 Ų729 Ų294%0.04315%0.149CC..SBendtrans-65.2-46.3-180-540000112.2S38 D67 R70T11-S38 WeakPolarHBondContact O-CB 3.42Å; T11-D67 HydrophobicContact CG2-CB 4.11Å; T11-R70 HydrophobicContact CG2-CG 4.09Å
12T95.7Very high93.1Very high15 Ų1523 Ų239%0.09213%0.128CC..SBendtrans-103.4-36.3-176.7-45.30000112.2P37 S38 G200T12-P37 WeakPolarHBondContact O-CA 3.32Å; T12-S38 PolarHBondContact O-N 3.49Å; T12-G200 WeakPolarHBondContact OG1-CA 3.43Å
13Y97.6Very high94.7Very high57 Ų5724.4 Ų24.422%0.22413%0.126CC..EExtended strand (participates in β ladder)trans-138.4144.2179.3-70.2-95.1000109.5G10 T36 P37 S38 K54 R270G10-Y13 CarbonylContact C-O 3.58Å; G10-Y13 WeakPolarHBondContact CA-O 3.5Å; G10-Y13 PolarHBondContact N-O 3.41Å; Y13-T36 CarbonylContact C-O 3.57Å; Y13-T36 VanDerWaalsContact CA-O 3.28Å; Y13-T36 WeakPolarHBondContact CA-O 3.33Å; Y13-P37 HydrophobicContact CD1-CB 4.48Å; Y13-P37 HydrophobicContact CD1-CG 4.17Å; Y13-P37 HydrophobicContact CE1-CB 4.35Å; Y13-P37 HydrophobicContact CE1-CG 3.76Å; Y13-S38 VanDerWaalsContact C-OG 3.31Å; Y13-K54 PolarHBondContact OH-NZ 2.88Å; Y13-R270 PolarHBondContact OH-NH1 3.47Å; Y13-R270 VanDerWaalsContact OH-NH1 3.14Å; Y13-R270 PolarHBondContact OH-NH2 3.19Å
14S98.5Very high95.5Very high1 Ų123.3 Ų23.31%0.00712%0.12CC..EExtended strand (participates in β ladder)trans-112.1153.4170.7-60.50000110.3D8 G10 T36 S38 V121D8-S14 CarbonylContact O-C 3.53Å; D8-S14 WeakPolarHBondContact O-CA 3.14Å; D8-S14 WeakPolarHBondContact O-CB 3.49Å; G10-S14 PolarHBondContact N-OG 3.15Å; S14-T36 PolarHBondContact N-O 3.46Å; S14-T36 PolarHBondContact O-N 3.31Å; S14-S38 PolarHBondContact N-OG 3.46Å; S14-S38 PolarHBondContact OG-OG 3.05Å; S14-V121 VanDerWaalsContact OG-CG1 3.29Å; S14-V121 WeakPolarHBondContact OG-CG1 3.48Å
15C98.4Very high95.5Very high1 Ų125.4 Ų25.41%0.00713%0.13CC..EExtended strand (participates in β ladder)trans-139.7146-176.6-175.50000109.6I7 D8 I26 R34 T35 A368I7-C15 WeakPolarHBondContact CA-O 3.41Å; D8-C15 HydrophobicContact CB-CB 4.22Å; D8-C15 PolarHBondContact N-O 3.23Å; D8-C15 PolarHBondContact O-N 3.12Å; C15-I26 VanDerWaalsContact SG-CG2 3.56Å; C15-R34 PolarHBondContact SG-O 3.18Å; C15-R34 VanDerWaalsContact SG-O 3.37Å; C15-T35 HydrophobicContact CB-CG2 4.37Å; C15-A368 HydrophobicContact CB-CB 3.74Å; C15-A368 VanDerWaalsContact SG-CB 3.54Å
16V98.6Very high95.5Very high2 Ų226.3 Ų26.31%0.01213%0.134CC..EExtended strand (participates in β ladder)trans-132.3136.3-179.361.40000110.7I5 G6 I7 I27 M125 V128 A129I5-V16 HydrophobicContact CB-CG2 4.1Å; I5-V16 HydrophobicContact CD1-CG2 3.88Å; I5-V16 HydrophobicContact CG1-CG2 4.46Å; G6-V16 WeakPolarHBondContact O-CA 3.25Å; I7-V16 HydrophobicContact CG1-CG2 4.04Å; V16-I27 HydrophobicContact CG1-CB 4.25Å; V16-I27 PolarHBondContact O-N 3.17Å; V16-M125 HydrophobicContact CB-CB 4.19Å; V16-M125 HydrophobicContact CB-SD 4.12Å; V16-M125 HydrophobicContact CG1-CB 4.49Å; V16-M125 HydrophobicContact CG1-SD 4.07Å; V16-V128 HydrophobicContact CG1-CB 4.26Å; V16-V128 HydrophobicContact CG1-CG1 3.82Å; V16-A129 HydrophobicContact CG2-CB 4.18Å
17G98Very high95.5Very high0 Ų026.6 Ų26.60%014%0.136CC..EExtended strand (participates in β ladder)trans-132.7158.617800000112.5I5 G6 E25I5-G17 WeakPolarHBondContact CA-O 3.46Å; G6-G17 PolarHBondContact N-O 2.92Å; G6-G17 PolarHBondContact O-N 3.04Å; G17-E25 CarbonylContact C-O 3.6Å; G17-E25 VanDerWaalsContact CA-O 3.24Å; G17-E25 WeakPolarHBondContact CA-O 3.33Å
18V97Very high95.4Very high0 Ų028.8 Ų28.80%015%0.154CC..EExtended strand (participates in β ladder)trans-133.6141.6174.165.90000110N3 I5 Q20 V24 E25 I27 Y132 L133N3-V18 HydrophobicContact CB-CG2 3.67Å; I5-V18 HydrophobicContact CG2-CB 4.44Å; V18-Q20 HydrophobicContact CG1-CG 4.42Å; V18-V24 WeakPolarHBondContact O-CA 3.3Å; V18-E25 HydrophobicContact CG1-CB 4.23Å; V18-E25 PolarHBondContact N-O 2.99Å; V18-E25 PolarHBondContact O-N 3.04Å; V18-I27 HydrophobicContact CB-CD1 4.26Å; V18-I27 HydrophobicContact CG1-CD1 3.9Å; V18-I27 HydrophobicContact CG1-CG1 4.29Å; V18-Y132 HydrophobicContact CG1-CD1 4.35Å; V18-Y132 HydrophobicContact CG1-CE1 4.02Å; V18-L133 HydrophobicContact CG1-CD2 4.33Å; V18-L133 HydrophobicContact CG2-CD1 4.36Å; V18-L133 HydrophobicContact CG2-CD2 4.26Å
19F94.6Very high95.4Very high7 Ų728.2 Ų28.23%0.03115%0.151CC..EExtended strand (participates in β ladder)trans-89.5122.9170-167.8-90.3000109.7G22 K23 V24 A376 C383 V386F19-G22 VanDerWaalsContact CZ-C 3.41Å; F19-K23 WeakPolarHBondContact CA-O 3.33Å; F19-V24 HydrophobicContact CD2-CG2 3.78Å; F19-A376 HydrophobicContact CB-CB 3.48Å; F19-A376 VanDerWaalsContact CB-CB 3.48Å; F19-A376 HydrophobicContact CD1-CB 3.78Å; F19-A376 HydrophobicContact CD2-CB 4.34Å; F19-A376 HydrophobicContact CG-CB 3.62Å; F19-C383 HydrophobicContact CE1-CB 3.91Å; F19-C383 HydrophobicContact CZ-CB 4.06Å; F19-V386 HydrophobicContact CD2-CG1 4.44Å; F19-V386 HydrophobicContact CE2-CG1 3.67Å; F19-V386 HydrophobicContact CZ-CG1 3.72Å; F19-V386 HydrophobicContact CZ-CG2 4.44Å
20Q90.2Very high95.1Very high34 Ų3432.8 Ų32.816%0.15918%0.175CC..EExtended strand (participates in β ladder)trans-153.1147.7174.658.3174.27.700111V18 G22 K23 E25 Y132V18-Q20 HydrophobicContact CG1-CG 4.42Å; Q20-G22 PolarHBondContact O-N 2.93Å; Q20-K23 PolarHBondContact N-O 3.25Å; Q20-K23 WeakPolarHBondContact O-CG 3.24Å; Q20-K23 PolarHBondContact O-N 2.97Å; Q20-E25 HydrophobicContact CG-CG 4.1Å; Q20-Y132 PolarHBondContact NE2-OH 3.48Å
21H87.5Confident95Very high168 Ų16838.1 Ų38.178%0.77820%0.198SC*.THydrogen-bonded Turntrans55.634-180-45.8105.1000113.4K23H21-K23 VanDerWaalsContact C-N 3.3Å; H21-K23 PolarHBondContact O-N 2.84Å
22G86.9Confident95.1Very high34 Ų3440.5 Ų40.535%0.35122%0.223SC..THydrogen-bonded Turntrans76.211.5177.900000115.4F19 Q20 C383F19-G22 VanDerWaalsContact CZ-C 3.41Å; Q20-G22 PolarHBondContact O-N 2.93Å; G22-C383 VanDerWaalsContact CA-SG 3.58Å
23K91.2Very high95.2Very high109 Ų10943.2 Ų43.247%0.47424%0.238SC..EExtended strand (participates in β ladder)trans-140.9161.1176.656.3170.5171.3155.60111.5F19 Q20 H21 E25F19-K23 WeakPolarHBondContact CA-O 3.33Å; Q20-K23 PolarHBondContact N-O 3.25Å; Q20-K23 WeakPolarHBondContact O-CG 3.24Å; Q20-K23 PolarHBondContact O-N 2.97Å; H21-K23 VanDerWaalsContact C-N 3.3Å; H21-K23 PolarHBondContact O-N 2.84Å; K23-E25 WeakPolarHBondContact CD-OE1 3.34Å; K23-E25 WeakPolarHBondContact CE-OE1 3.35Å; K23-E25 IonicContact NZ-OE1 3.2Å; K23-E25 PolarHBondContact NZ-OE1 3.41Å
24V94.4Very high95.2Very high13 Ų1347 Ų478%0.07925%0.252CS..EExtended strand (participates in β ladder)trans-86.1136.1169.9177.90000110.1V18 F19 I26 Y369 A372 V373V18-V24 WeakPolarHBondContact O-CA 3.3Å; F19-V24 HydrophobicContact CD2-CG2 3.78Å; V24-I26 HydrophobicContact CG1-CD1 4.16Å; V24-Y369 HydrophobicContact CB-CD1 4.17Å; V24-Y369 HydrophobicContact CB-CD2 3.69Å; V24-Y369 HydrophobicContact CB-CE1 3.93Å; V24-Y369 HydrophobicContact CB-CE2 3.49Å; V24-Y369 VanDerWaalsContact CB-CE2 3.49Å; V24-Y369 HydrophobicContact CB-CG 4.03Å; V24-Y369 HydrophobicContact CG1-CD1 4.39Å; V24-Y369 HydrophobicContact CG1-CD2 3.67Å; V24-Y369 HydrophobicContact CG1-CE2 4.01Å; V24-Y369 HydrophobicContact CG1-CG 3.88Å; V24-Y369 HydrophobicContact CG2-CD1 3.82Å; V24-Y369 HydrophobicContact CG2-CD2 4.27Å; V24-Y369 HydrophobicContact CG2-CE1 3.53Å; V24-Y369 HydrophobicContact CG2-CE2 4.07Å; V24-Y369 HydrophobicContact CG2-CG 4.16Å; V24-A372 HydrophobicContact CG1-CB 3.79Å; V24-A372 HydrophobicContact CG2-CB 4.26Å; V24-V373 HydrophobicContact CG2-CG2 3.54Å
25E95.9Very high95.1Very high48 Ų4848.7 Ų48.722%0.22426%0.262CS..EExtended strand (participates in β ladder)trans-113.7120.8169.3-65.7-65.7166.900109G17 V18 Q20 K23G17-E25 CarbonylContact C-O 3.6Å; G17-E25 VanDerWaalsContact CA-O 3.24Å; G17-E25 WeakPolarHBondContact CA-O 3.33Å; V18-E25 HydrophobicContact CG1-CB 4.23Å; V18-E25 PolarHBondContact N-O 2.99Å; V18-E25 PolarHBondContact O-N 3.04Å; Q20-E25 HydrophobicContact CG-CG 4.1Å; K23-E25 WeakPolarHBondContact CD-OE1 3.34Å; K23-E25 WeakPolarHBondContact CE-OE1 3.35Å; K23-E25 IonicContact NZ-OE1 3.2Å; K23-E25 PolarHBondContact NZ-OE1 3.41Å
26I97.9Very high95.1Very high19 Ų1948.9 Ų48.910%0.09726%0.263CS..EExtended strand (participates in β ladder)trans-84.4125.8170.2-58.7-60.8000108.3C15 V24 R34 E365 A368C15-I26 VanDerWaalsContact SG-CG2 3.56Å; V24-I26 HydrophobicContact CG1-CD1 4.16Å; I26-R34 HydrophobicContact CG2-CB 3.96Å; I26-R34 HydrophobicContact CG2-CG 4.23Å; I26-E365 HydrophobicContact CG1-CB 4.2Å; I26-E365 HydrophobicContact CG1-CG 4.49Å; I26-E365 HydrophobicContact CG2-CG 4.23Å; I26-A368 HydrophobicContact CD1-CB 4.2Å
27I98.1Very high95.1Very high6 Ų648.9 Ų48.93%0.03126%0.263CS..PPolyproline II helixtrans-94124.6-167.6-50.5176.2000109.5V16 V18 V128 A129 Y132V16-I27 HydrophobicContact CG1-CB 4.25Å; V16-I27 PolarHBondContact O-N 3.17Å; V18-I27 HydrophobicContact CB-CD1 4.26Å; V18-I27 HydrophobicContact CG1-CD1 3.9Å; V18-I27 HydrophobicContact CG1-CG1 4.29Å; I27-V128 HydrophobicContact CB-CG1 4.12Å; I27-V128 HydrophobicContact CG2-CG1 3.63Å; I27-A129 HydrophobicContact CD1-CB 3.86Å; I27-Y132 HydrophobicContact CD1-CD1 3.81Å; I27-Y132 HydrophobicContact CD1-CG 4.19Å; I27-Y132 HydrophobicContact CG1-CD1 4.06Å; I27-Y132 HydrophobicContact CG1-CE1 4.49Å; I27-Y132 HydrophobicContact CG1-CG 4.25Å; I27-Y132 VanDerWaalsContact CG2-CB 3.48Å; I27-Y132 HydrophobicContact CG2-CD1 4.4Å; I27-Y132 HydrophobicContact CG2-CD2 4.1Å; I27-Y132 HydrophobicContact CG2-CG 3.76Å
28A97.9Very high95.1Very high46 Ų4649.3 Ų49.338%0.3827%0.266SS..PPolyproline II helixtrans-71.2141.1171.900000111N33 R34A28-N33 CarbonylContact C-O 3.55Å; A28-N33 WeakPolarHBondContact CA-O 3.4Å; A28-R34 HydrophobicContact CB-CG 4.47Å
29N96.9Very high95.2Very high10 Ų1049.3 Ų49.35%0.05327%0.266CS..  trans-74.2-177.8174.774.812.3000112.1Q31 G32 N33 T36 D51 V128N29-Q31 PolarHBondContact O-N 2.97Å; N29-Q31 VanDerWaalsContact O-N 3.09Å; N29-Q31 WeakPolarHBondContact OD1-CA 3.32Å; N29-Q31 WeakPolarHBondContact OD1-CB 3.49Å; N29-Q31 PolarHBondContact OD1-N 3.34Å; N29-G32 PolarHBondContact O-N 3.39Å; N29-G32 PolarHBondContact OD1-N 3.03Å; N29-N33 VanDerWaalsContact CG-O 3.3Å; N29-N33 PolarHBondContact N-O 2.99Å; N29-N33 PolarHBondContact OD1-N 2.76Å; N29-N33 VanDerWaalsContact OD1-N 3.07Å; N29-N33 PolarHBondContact OD1-O 3.35Å; N29-T36 WeakPolarHBondContact CB-OG1 3.44Å; N29-T36 PolarHBondContact ND2-OG1 2.87Å; N29-D51 PolarHBondContact ND2-OD2 3.19Å; N29-V128 HydrophobicContact CB-CG1 4.47Å; N29-V128 HydrophobicContact CB-CG2 3.82Å
30D92.5Very high95.4Very high103 Ų10349 Ų4955%0.55127%0.265SS*.THydrogen-bonded Turntrans-64.6-10.5-178.656.2-60000114.8K124D30-K124 VanDerWaalsContact CG-NZ 3.32Å; D30-K124 VanDerWaalsContact OD1-CE 3.24Å; D30-K124 WeakPolarHBondContact OD1-CE 3.45Å; D30-K124 IonicContact OD1-NZ 3.64Å; D30-K124 PolarHBondContact OD1-NZ 3.34Å; D30-K124 IonicContact OD2-NZ 3.05Å
31Q93.8Very high95.7Very high121 Ų12147.4 Ų47.457%0.56526%0.257SS*.THydrogen-bonded Turntrans-103.86.1173.3-57.8-60.4-56.900112.7N29 N33 D51N29-Q31 PolarHBondContact O-N 2.97Å; N29-Q31 VanDerWaalsContact O-N 3.09Å; N29-Q31 WeakPolarHBondContact OD1-CA 3.32Å; N29-Q31 WeakPolarHBondContact OD1-CB 3.49Å; N29-Q31 PolarHBondContact OD1-N 3.34Å; Q31-N33 VanDerWaalsContact C-N 3.33Å; Q31-D51 HydrophobicContact CG-CB 4.02Å
32G95.8Very high96.2Very high56 Ų5639.4 Ų39.458%0.57722%0.22SC*.SBendtrans82.33.8-179.100000114.7N29N29-G32 PolarHBondContact O-N 3.39Å; N29-G32 PolarHBondContact OD1-N 3.03Å
33N97.4Very high96.6Very high73 Ų7339 Ų3939%0.3921%0.211SC..  trans-89133.9179.9-61.2-48.6000111A28 N29 Q31 T35A28-N33 CarbonylContact C-O 3.55Å; A28-N33 WeakPolarHBondContact CA-O 3.4Å; N29-N33 VanDerWaalsContact CG-O 3.3Å; N29-N33 PolarHBondContact N-O 2.99Å; N29-N33 PolarHBondContact OD1-N 2.76Å; N29-N33 VanDerWaalsContact OD1-N 3.07Å; N29-N33 PolarHBondContact OD1-O 3.35Å; Q31-N33 VanDerWaalsContact C-N 3.33Å; N33-T35 VanDerWaalsContact C-N 3.26Å; N33-T35 WeakPolarHBondContact CB-O 3.35Å; N33-T35 PolarHBondContact O-N 3.41Å
34R97.5Very high96.7Very high137 Ų13739.8 Ų39.852%0.51722%0.22SC..SBendtrans-73.9-15.6175.2-71.4-176.8178.8-177.81.2114.3C15 I26 A28 E365C15-R34 PolarHBondContact SG-O 3.18Å; C15-R34 VanDerWaalsContact SG-O 3.37Å; I26-R34 HydrophobicContact CG2-CB 3.96Å; I26-R34 HydrophobicContact CG2-CG 4.23Å; A28-R34 HydrophobicContact CB-CG 4.47Å; R34-E365 WeakPolarHBondContact CD-OE1 3.39Å; R34-E365 IonicContact NH1-OE1 3.6Å; R34-E365 PolarHBondContact NH1-OE1 3.39Å; R34-E365 IonicContact NH1-OE2 2.92Å
35T97.6Very high96.4Very high36 Ų3641.9 Ų41.922%0.22124%0.235CC..SBendtrans-120.1142.6172.6590000109C15 N33 D364C15-T35 HydrophobicContact CB-CG2 4.37Å; N33-T35 VanDerWaalsContact C-N 3.26Å; N33-T35 WeakPolarHBondContact CB-O 3.35Å; N33-T35 PolarHBondContact O-N 3.41Å; T35-D364 HydrophobicContact CG2-CB 4.35Å
36T98.4Very high96.2Very high5 Ų542.3 Ų42.33%0.03124%0.237CC..EExtended strand (participates in β ladder)trans-117.4127.7-177.6-62.80000109.2Y13 S14 N29 S38 K124 M125Y13-T36 CarbonylContact C-O 3.57Å; Y13-T36 VanDerWaalsContact CA-O 3.28Å; Y13-T36 WeakPolarHBondContact CA-O 3.33Å; S14-T36 PolarHBondContact N-O 3.46Å; S14-T36 PolarHBondContact O-N 3.31Å; N29-T36 WeakPolarHBondContact CB-OG1 3.44Å; N29-T36 PolarHBondContact ND2-OG1 2.87Å; T36-S38 PolarHBondContact O-N 2.98Å; T36-K124 HydrophobicContact CG2-CG 4.36Å; T36-M125 VanDerWaalsContact CB-CE 3.4Å; T36-M125 HydrophobicContact CG2-CE 3.67Å; T36-M125 WeakPolarHBondContact OG1-CE 3.4Å
37P98.1Very high96Very high1 Ų142.6 Ų42.61%0.00624%0.237CC..EExtended strand (participates in β ladder)trans-52.6134.7176.4-26.733.6000112.6T12 Y13 Y39 G50 D51 K54T12-P37 WeakPolarHBondContact O-CA 3.32Å; Y13-P37 HydrophobicContact CD1-CB 4.48Å; Y13-P37 HydrophobicContact CD1-CG 4.17Å; Y13-P37 HydrophobicContact CE1-CB 4.35Å; Y13-P37 HydrophobicContact CE1-CG 3.76Å; P37-Y39 HydrophobicContact CB-CD2 3.78Å; P37-Y39 HydrophobicContact CB-CG 4.32Å; P37-Y39 PolarHBondContact O-N 3.43Å; P37-G50 VanDerWaalsContact O-CA 3.27Å; P37-G50 WeakPolarHBondContact O-CA 3.4Å; P37-D51 WeakPolarHBondContact CD-OD1 3.49Å; P37-D51 WeakPolarHBondContact CG-OD1 3.37Å; P37-K54 HydrophobicContact CB-CB 4.02Å; P37-K54 HydrophobicContact CB-CD 3.84Å; P37-K54 HydrophobicContact CG-CB 4.08Å; P37-K54 HydrophobicContact CG-CD 3.68Å; P37-K54 HydrophobicContact CG-CG 4.49Å
38S98.1Very high95.9Very high10 Ų1044.2 Ų44.27%0.0725%0.246CC..  trans-79.454.7175.2-59.70000111.2G10 T11 T12 Y13 S14 T36G10-S38 WeakPolarHBondContact O-CB 3.31Å; G10-S38 PolarHBondContact O-OG 3.19Å; T11-S38 WeakPolarHBondContact O-CB 3.42Å; T12-S38 PolarHBondContact O-N 3.49Å; Y13-S38 VanDerWaalsContact C-OG 3.31Å; S14-S38 PolarHBondContact N-OG 3.46Å; S14-S38 PolarHBondContact OG-OG 3.05Å; T36-S38 PolarHBondContact O-N 2.98Å
39Y98.3Very high95.9Very high0 Ų043.3 Ų43.30%023%0.234CC..  trans-116137.8-175.5-79.4-121.2000109.6P37 I49 G50 A53 K54 V57 T64 V65 F66 R259P37-Y39 HydrophobicContact CB-CD2 3.78Å; P37-Y39 HydrophobicContact CB-CG 4.32Å; P37-Y39 PolarHBondContact O-N 3.43Å; Y39-I49 WeakPolarHBondContact O-CA 3.41Å; Y39-G50 PolarHBondContact O-N 2.96Å; Y39-A53 WeakPolarHBondContact O-CB 3.49Å; Y39-K54 HydrophobicContact CD1-CB 4.18Å; Y39-K54 HydrophobicContact CD1-CG 4.5Å; Y39-K54 HydrophobicContact CE1-CG 4.47Å; Y39-K54 HydrophobicContact CG-CB 4.19Å; Y39-V57 HydrophobicContact CD1-CG2 4.5Å; Y39-V57 HydrophobicContact CE1-CG2 4.17Å; Y39-T64 HydrophobicContact CD1-CG2 3.87Å; Y39-V65 WeakPolarHBondContact CA-O 3.14Å; Y39-F66 HydrophobicContact CD1-CB 3.86Å; Y39-F66 HydrophobicContact CD1-CG 4.47Å; Y39-F66 HydrophobicContact CD2-CB 3.86Å; Y39-F66 HydrophobicContact CE1-CB 3.65Å; Y39-F66 AromaticContact CE1-CD1 3.98Å; Y39-F66 HydrophobicContact CE1-CD1 3.98Å; Y39-F66 AromaticContact CE1-CG 3.88Å; Y39-F66 HydrophobicContact CE1-CG 3.88Å; Y39-F66 HydrophobicContact CE2-CB 3.63Å; Y39-F66 HydrophobicContact CE2-CG 4.38Å; Y39-F66 HydrophobicContact CG-CB 3.95Å; Y39-F66 AromaticContact CZ-CG 3.8Å; Y39-R259 PolarHBondContact OH-NH1 3.33Å; Y39-R259 PolarHBondContact OH-NH2 3.03Å
40V98.5Very high96Very high0 Ų042.8 Ų42.80%023%0.232CC..EExtended strand (participates in β ladder)trans-130.5118.8173.8-178.30000108.3F42 L48 I49 T64 V65 I117 M120 V121V40-F42 HydrophobicContact CB-CE2 4.48Å; V40-F42 HydrophobicContact CG1-CD2 4.44Å; V40-F42 HydrophobicContact CG1-CE1 4.45Å; V40-F42 HydrophobicContact CG1-CE2 3.67Å; V40-F42 HydrophobicContact CG1-CZ 3.67Å; V40-L48 CarbonylContact C-O 3.57Å; V40-L48 WeakPolarHBondContact CA-O 3.29Å; V40-I49 HydrophobicContact CG1-CG1 4.45Å; V40-I49 HydrophobicContact CG2-CG2 4.4Å; V40-T64 CarbonylContact O-C 3.46Å; V40-T64 WeakPolarHBondContact O-CA 3.48Å; V40-V65 PolarHBondContact N-O 3.42Å; V40-V65 PolarHBondContact O-N 3.25Å; V40-I117 HydrophobicContact CB-CG2 4.19Å; V40-I117 HydrophobicContact CG2-CG2 3.87Å; V40-M120 HydrophobicContact CG1-CB 4.43Å; V40-M120 HydrophobicContact CG1-SD 3.62Å; V40-M120 HydrophobicContact CG2-CB 4.05Å; V40-V121 HydrophobicContact CG2-CG2 3.88Å
41A98.2Very high96.2Very high0 Ų039 Ų390%021%0.212CC..EExtended strand (participates in β ladder)trans-112.5140.6177.400000111.7R47 L48 A53 N63 T64A41-R47 CarbonylContact O-C 3.55Å; A41-R47 VanDerWaalsContact O-CA 3.31Å; A41-R47 WeakPolarHBondContact O-CA 3.49Å; A41-L48 HydrophobicContact CB-CB 4.27Å; A41-L48 PolarHBondContact N-O 3.48Å; A41-L48 PolarHBondContact O-N 2.92Å; A41-A53 HydrophobicContact CB-CB 3.81Å; A41-N63 WeakPolarHBondContact CA-O 3.47Å; A41-T64 HydrophobicContact CB-CG2 3.98Å
42F97.9Very high96.2Very high0 Ų034.9 Ų34.90%020%0.201CC..EExtended strand (participates in β ladder)trans-112.9123.1176.1-58.7-92.3000108.3V40 R47 N60 N63 V65 V103 E104 Y105 F112 I117 M120V40-F42 HydrophobicContact CB-CE2 4.48Å; V40-F42 HydrophobicContact CG1-CD2 4.44Å; V40-F42 HydrophobicContact CG1-CE1 4.45Å; V40-F42 HydrophobicContact CG1-CE2 3.67Å; V40-F42 HydrophobicContact CG1-CZ 3.67Å; F42-R47 HydrophobicContact CD1-CG 3.88Å; F42-R47 HydrophobicContact CE1-CG 4.1Å; F42-N60 PolarHBondContact O-ND2 3.36Å; F42-N63 HydrophobicContact CB-CB 4.38Å; F42-N63 PolarHBondContact N-O 3.07Å; F42-N63 WeakPolarHBondContact O-CB 3.5Å; F42-V65 HydrophobicContact CE2-CG2 4.19Å; F42-V103 HydrophobicContact CB-CG2 4.29Å; F42-V103 HydrophobicContact CD1-CG2 4.3Å; F42-V103 HydrophobicContact CD2-CB 3.99Å; F42-V103 HydrophobicContact CD2-CG1 3.98Å; F42-V103 HydrophobicContact CD2-CG2 3.61Å; F42-V103 HydrophobicContact CE2-CG1 4.29Å; F42-V103 HydrophobicContact CE2-CG2 3.95Å; F42-V103 HydrophobicContact CG-CB 4.39Å; F42-V103 HydrophobicContact CG-CG2 3.8Å; F42-V103 HydrophobicContact CZ-CG2 4.43Å; F42-E104 WeakPolarHBondContact CB-O 3.3Å; F42-Y105 HydrophobicContact CB-CD2 3.93Å; F42-Y105 HydrophobicContact CB-CG 4.2Å; F42-Y105 HydrophobicContact CD1-CD1 4.33Å; F42-Y105 HydrophobicContact CD1-CD2 4.04Å; F42-Y105 AromaticContact CD1-CG 3.88Å; F42-Y105 HydrophobicContact CD1-CG 3.88Å; F42-F112 AromaticContact CD1-CE2 3.97Å; F42-F112 HydrophobicContact CD1-CE2 3.97Å; F42-F112 HydrophobicContact CD1-CZ 4.28Å; F42-F112 HydrophobicContact CE1-CD2 4.12Å; F42-F112 HydrophobicContact CE1-CE1 4.39Å; F42-F112 AromaticContact CE1-CE2 3.36Å; F42-F112 HydrophobicContact CE1-CE2 3.36Å; F42-F112 AromaticContact CE1-CZ 3.53Å; F42-F112 HydrophobicContact CE1-CZ 3.53Å; F42-F112 HydrophobicContact CE2-CD2 4.27Å; F42-F112 HydrophobicContact CE2-CE2 4.19Å; F42-F112 AromaticContact CZ-CD2 3.75Å; F42-F112 HydrophobicContact CZ-CD2 3.75Å; F42-F112 AromaticContact CZ-CE2 3.48Å; F42-F112 HydrophobicContact CZ-CE2 3.48Å; F42-F112 VanDerWaalsContact CZ-CE2 3.48Å; F42-F112 HydrophobicContact CZ-CG 4.43Å; F42-F112 AromaticContact CZ-CZ 3.97Å; F42-F112 HydrophobicContact CZ-CZ 3.97Å; F42-I117 HydrophobicContact CE2-CD1 3.78Å; F42-I117 HydrophobicContact CZ-CD1 3.66Å; F42-M120 HydrophobicContact CE1-CE 4.22Å; F42-M120 HydrophobicContact CE1-SD 4.17Å; F42-M120 HydrophobicContact CZ-CE 4.01Å; F42-M120 HydrophobicContact CZ-SD 3.82Å
43T94.9Very high96.3Very high26 Ų2632.2 Ų32.216%0.1617%0.173CC..  trans-114.1-177.8178.976.90000110.6S45 E46 L48 Y105 K106T43-S45 PolarHBondContact O-N 3.13Å; T43-S45 PolarHBondContact OG1-N 3.45Å; T43-S45 PolarHBondContact OG1-OG 2.88Å; T43-E46 PolarHBondContact N-O 3.42Å; T43-E46 PolarHBondContact OG1-N 3.05Å; T43-E46 PolarHBondContact OG1-O 3.3Å; T43-L48 HydrophobicContact CG2-CD1 4.22Å; T43-Y105 WeakPolarHBondContact O-CD2 3.48Å; T43-K106 PolarHBondContact O-N 2.84Å; T43-K106 VanDerWaalsContact O-N 3.1Å
44D91.9Very high96.3Very high125 Ų12530.2 Ų30.267%0.66816%0.161SC*.SBendtrans-70.2-13.1175-63.2-32.3000113.2
45S88.7Confident96.2Very high57 Ų5729.7 Ų29.740%0.39917%0.169SC..SBendtrans-122.1-36.3-174.357.50000113.8T43 K106T43-S45 PolarHBondContact O-N 3.13Å; T43-S45 PolarHBondContact OG1-N 3.45Å; T43-S45 PolarHBondContact OG1-OG 2.88Å; S45-K106 VanDerWaalsContact O-CE 3.24Å; S45-K106 WeakPolarHBondContact O-CE 3.33Å
46E92Very high96Very high57 Ų5729.7 Ų29.727%0.26617%0.166SC..  trans-153.8168.5-166.972.8-164.8156.700113.3T43 L48 Y105 Q530T43-E46 PolarHBondContact N-O 3.42Å; T43-E46 PolarHBondContact OG1-N 3.05Å; T43-E46 PolarHBondContact OG1-O 3.3Å; E46-L48 HydrophobicContact CG-CD2 3.97Å; E46-L48 HydrophobicContact CG-CG 4.22Å; E46-Y105 WeakPolarHBondContact O-CE2 3.37Å; E46-Q530 HydrophobicContact CB-CG 3.92Å; E46-Q530 WeakPolarHBondContact OE2-CG 3.46Å; E46-Q530 PolarHBondContact OE2-NE2 2.67Å
47R94.2Very high95.8Very high25 Ų2529.7 Ų29.79%0.09417%0.166CC..EExtended strand (participates in β ladder)trans-100.4136.1167-58.1-175.9-56161.24.5109A41 F42 Y105 M120 D527A41-R47 CarbonylContact O-C 3.55Å; A41-R47 VanDerWaalsContact O-CA 3.31Å; A41-R47 WeakPolarHBondContact O-CA 3.49Å; F42-R47 HydrophobicContact CD1-CG 3.88Å; F42-R47 HydrophobicContact CE1-CG 4.1Å; R47-Y105 HydrophobicContact CG-CD2 4.39Å; R47-Y105 HydrophobicContact CG-CE1 4.18Å; R47-Y105 HydrophobicContact CG-CE2 3.75Å; R47-M120 PolarHBondContact NH1-SD 2.72Å; R47-D527 IonicContact CZ-OD2 3.49Å; R47-D527 IonicContact NE-OD1 3.59Å; R47-D527 IonicContact NE-OD2 3.37Å; R47-D527 PolarHBondContact NE-OD2 2.91Å; R47-D527 IonicContact NH2-OD2 2.7Å; R47-D527 PolarHBondContact NH2-OD2 3.31Å
48L96.2Very high95.5Very high41 Ų4131 Ų3122%0.21518%0.177CC..EExtended strand (participates in β ladder)trans-112.7141172.5-56.5170.1000108.1V40 A41 T43 E46 A53 Q56V40-L48 CarbonylContact C-O 3.57Å; V40-L48 WeakPolarHBondContact CA-O 3.29Å; A41-L48 HydrophobicContact CB-CB 4.27Å; A41-L48 PolarHBondContact N-O 3.48Å; A41-L48 PolarHBondContact O-N 2.92Å; T43-L48 HydrophobicContact CG2-CD1 4.22Å; E46-L48 HydrophobicContact CG-CD2 3.97Å; E46-L48 HydrophobicContact CG-CG 4.22Å; L48-A53 HydrophobicContact CB-CB 4.19Å; L48-A53 WeakPolarHBondContact O-CB 3.21Å; L48-Q56 HydrophobicContact CD1-CG 3.74Å
49I97.4Very high95.3Very high26 Ų2638 Ų3813%0.13321%0.21CC..EExtended strand (participates in β ladder)trans-132.6142.2179.3-53.9165.3000107.8Y39 V40 M120 K124Y39-I49 WeakPolarHBondContact O-CA 3.41Å; V40-I49 HydrophobicContact CG1-CG1 4.45Å; V40-I49 HydrophobicContact CG2-CG2 4.4Å; I49-M120 HydrophobicContact CD1-CB 3.93Å; I49-M120 HydrophobicContact CG1-CB 4.5Å; I49-K124 HydrophobicContact CB-CB 4.3Å; I49-K124 HydrophobicContact CB-CG 4.45Å; I49-K124 HydrophobicContact CG2-CB 3.65Å; I49-K124 HydrophobicContact CG2-CG 4Å
50G97.7Very high95.1Very high0 Ų039.1 Ų39.10%022%0.216CC..THydrogen-bonded Turntrans79.6-136.9178.400000113.5P37 Y39 G52 A53 K54P37-G50 VanDerWaalsContact O-CA 3.27Å; P37-G50 WeakPolarHBondContact O-CA 3.4Å; Y39-G50 PolarHBondContact O-N 2.96Å; G50-G52 VanDerWaalsContact C-N 3.3Å; G50-G52 PolarHBondContact O-N 2.93Å; G50-A53 WeakPolarHBondContact O-CB 3.41Å; G50-A53 PolarHBondContact O-N 2.71Å; G50-A53 VanDerWaalsContact O-N 3.13Å; G50-K54 PolarHBondContact O-N 3.25Å
51D97.3Very high95Very high24 Ų2439.6 Ų39.613%0.12822%0.22CC..Hα-helixtrans-58.5-41.1-177.9-67.9-65.7000112.2N29 Q31 P37 A53 K54 N55N29-D51 PolarHBondContact ND2-OD2 3.19Å; Q31-D51 HydrophobicContact CG-CB 4.02Å; P37-D51 WeakPolarHBondContact CD-OD1 3.49Å; P37-D51 WeakPolarHBondContact CG-OD1 3.37Å; D51-A53 VanDerWaalsContact C-N 3.31Å; D51-A53 PolarHBondContact O-N 3.45Å; D51-K54 PolarHBondContact O-N 2.84Å; D51-N55 WeakPolarHBondContact O-CB 3.34Å; D51-N55 PolarHBondContact O-N 3.01Å; D51-N55 PolarHBondContact O-ND2 2.95Å; D51-N55 PolarHBondContact O-OD1 3.46Å
52G94.9Very high94.9Very high33 Ų3341.9 Ų41.934%0.3423%0.234SC..Hα-helixtrans-57.4-42.9175.900000112.6G50 Q56G50-G52 VanDerWaalsContact C-N 3.3Å; G50-G52 PolarHBondContact O-N 2.93Å; G52-Q56 WeakPolarHBondContact O-CG 3.29Å
53A97.6Very high94.9Very high0 Ų043 Ų430%024%0.24CC..Hα-helixtrans-67.4-45.1176.600000111.9Y39 A41 L48 G50 D51 N55 Q56 V57Y39-A53 WeakPolarHBondContact O-CB 3.49Å; A41-A53 HydrophobicContact CB-CB 3.81Å; L48-A53 HydrophobicContact CB-CB 4.19Å; L48-A53 WeakPolarHBondContact O-CB 3.21Å; G50-A53 WeakPolarHBondContact O-CB 3.41Å; G50-A53 PolarHBondContact O-N 2.71Å; G50-A53 VanDerWaalsContact O-N 3.13Å; D51-A53 VanDerWaalsContact C-N 3.31Å; D51-A53 PolarHBondContact O-N 3.45Å; A53-N55 PolarHBondContact O-N 3.41Å; A53-Q56 PolarHBondContact O-NE2 3.43Å; A53-Q56 VanDerWaalsContact O-NE2 3.09Å; A53-V57 PolarHBondContact O-N 3.1Å
54K96.6Very high95.1Very high32 Ų3241.8 Ų41.814%0.13923%0.232CC..Hα-helixtrans-63.3-39.4179.6-176.1165.8-179.2156.50111.8Y13 P37 Y39 G50 D51 Q56 V57 E266Y13-K54 PolarHBondContact OH-NZ 2.88Å; P37-K54 HydrophobicContact CB-CB 4.02Å; P37-K54 HydrophobicContact CB-CD 3.84Å; P37-K54 HydrophobicContact CG-CB 4.08Å; P37-K54 HydrophobicContact CG-CD 3.68Å; P37-K54 HydrophobicContact CG-CG 4.49Å; Y39-K54 HydrophobicContact CD1-CB 4.18Å; Y39-K54 HydrophobicContact CD1-CG 4.5Å; Y39-K54 HydrophobicContact CE1-CG 4.47Å; Y39-K54 HydrophobicContact CG-CB 4.19Å; G50-K54 PolarHBondContact O-N 3.25Å; D51-K54 PolarHBondContact O-N 2.84Å; K54-Q56 VanDerWaalsContact C-N 3.34Å; K54-Q56 PolarHBondContact O-N 2.88Å; K54-V57 WeakPolarHBondContact O-CB 3.4Å; K54-V57 WeakPolarHBondContact O-CG1 3.28Å; K54-V57 PolarHBondContact O-N 3.45Å; K54-E266 IonicContact NZ-OE1 2.63Å; K54-E266 PolarHBondContact NZ-OE1 2.91Å; K54-E266 IonicContact NZ-OE2 2.79Å; K54-E266 PolarHBondContact NZ-OE2 3.33Å
55N95Very high95.4Very high126 Ų12635.9 Ų35.967%0.67420%0.2SC*.Hα-helixtrans-64.1-35.6-177-72.5-16.7000113.1D51 A53D51-N55 WeakPolarHBondContact O-CB 3.34Å; D51-N55 PolarHBondContact O-N 3.01Å; D51-N55 PolarHBondContact O-ND2 2.95Å; D51-N55 PolarHBondContact O-OD1 3.46Å; A53-N55 PolarHBondContact O-N 3.41Å
56Q94.2Very high95.7Very high36 Ų3633.2 Ų33.217%0.16818%0.182CC..Hα-helixtrans-96.11.3-178.165.279.86600114.6L48 G52 A53 K54 A58 M59 N60 T64L48-Q56 HydrophobicContact CD1-CG 3.74Å; G52-Q56 WeakPolarHBondContact O-CG 3.29Å; A53-Q56 PolarHBondContact O-NE2 3.43Å; A53-Q56 VanDerWaalsContact O-NE2 3.09Å; K54-Q56 VanDerWaalsContact C-N 3.34Å; K54-Q56 PolarHBondContact O-N 2.88Å; Q56-A58 PolarHBondContact O-N 3.19Å; Q56-M59 PolarHBondContact O-N 2.9Å; Q56-N60 PolarHBondContact O-N 3.44Å; Q56-N60 VanDerWaalsContact O-N 3.11Å; Q56-N60 PolarHBondContact OE1-ND2 2.91Å; Q56-T64 PolarHBondContact NE2-OG1 3.24Å
57V94.8Very high95.8Very high5 Ų530.8 Ų30.83%0.0317%0.171CC..THydrogen-bonded Turntrans-55.1-30.3-174.673.50000113.7Y39 A53 K54 M59 N60 P61 T64 R259Y39-V57 HydrophobicContact CD1-CG2 4.5Å; Y39-V57 HydrophobicContact CE1-CG2 4.17Å; A53-V57 PolarHBondContact O-N 3.1Å; K54-V57 WeakPolarHBondContact O-CB 3.4Å; K54-V57 WeakPolarHBondContact O-CG1 3.28Å; K54-V57 PolarHBondContact O-N 3.45Å; V57-M59 VanDerWaalsContact C-N 3.34Å; V57-N60 CarbonylContact O-C 3.58Å; V57-P61 WeakPolarHBondContact O-CA 3.37Å; V57-P61 WeakPolarHBondContact O-CB 3.4Å; V57-P61 WeakPolarHBondContact O-CD 3.18Å; V57-P61 VanDerWaalsContact O-N 3.11Å; V57-T64 HydrophobicContact CB-CG2 4.07Å; V57-T64 HydrophobicContact CG2-CG2 3.7Å; V57-R259 HydrophobicContact CB-CG 4.48Å; V57-R259 HydrophobicContact CG1-CG 3.98Å; V57-R259 HydrophobicContact CG2-CG 3.89Å
58A91.1Very high95.9Very high28 Ų2830 Ų3023%0.23117%0.169CC..THydrogen-bonded Turntrans-72.6-27.1178.900000113.1Q56 R256 R260Q56-A58 PolarHBondContact O-N 3.19Å; A58-R256 WeakPolarHBondContact O-CG 3.43Å; A58-R260 HydrophobicContact CB-CG 3.95Å
59M93.3Very high95.8Very high156 Ų15628.5 Ų28.577%0.76816%0.161SC*.THydrogen-bonded Turntrans-89.7-28.9178.1-67.5-179.664.900112Q56 V57Q56-M59 PolarHBondContact O-N 2.9Å; V57-M59 VanDerWaalsContact C-N 3.34Å
60N95.7Very high95.6Very high24 Ų2427.8 Ų27.813%0.12816%0.156CC..SBendtrans-128.952.5-177.1-169.918.6000112.9F42 Q56 V57 T62 N63 T64F42-N60 PolarHBondContact O-ND2 3.36Å; Q56-N60 PolarHBondContact O-N 3.44Å; Q56-N60 VanDerWaalsContact O-N 3.11Å; Q56-N60 PolarHBondContact OE1-ND2 2.91Å; V57-N60 CarbonylContact O-C 3.58Å; N60-T62 VanDerWaalsContact C-N 3.31Å; N60-T62 PolarHBondContact O-N 3.42Å; N60-N63 PolarHBondContact O-N 3.36Å; N60-N63 VanDerWaalsContact OD1-CB 3.27Å; N60-N63 WeakPolarHBondContact OD1-CB 3.16Å; N60-N63 PolarHBondContact OD1-ND2 3.24Å; N60-T64 WeakPolarHBondContact O-CB 3.49Å; N60-T64 PolarHBondContact O-N 3.01Å; N60-T64 PolarHBondContact O-OG1 2.83Å
61P95.4Very high95.5Very high11 Ų1127.9 Ų27.97%0.07116%0.157CC..G310 helixtrans-65-34.1-170.626-35000112.6V57 N63 P89 K255 R259V57-P61 WeakPolarHBondContact O-CA 3.37Å; V57-P61 WeakPolarHBondContact O-CB 3.4Å; V57-P61 WeakPolarHBondContact O-CD 3.18Å; V57-P61 VanDerWaalsContact O-N 3.11Å; P61-N63 VanDerWaalsContact C-N 3.34Å; P61-N63 PolarHBondContact O-N 2.94Å; P61-P89 HydrophobicContact CB-CB 3.87Å; P61-P89 HydrophobicContact CB-CG 4.15Å; P61-P89 WeakPolarHBondContact O-CB 3.17Å; P61-P89 WeakPolarHBondContact O-CG 3.42Å; P61-K255 HydrophobicContact CG-CB 4.24Å; P61-R259 HydrophobicContact CB-CB 4.22Å; P61-R259 HydrophobicContact CB-CG 4.42Å
62T96.3Very high95.2Very high48 Ų4826.8 Ų26.829%0.29415%0.151SC..G310 helixtrans-72.9-24-176.745.70000114.2N60 F90 K255N60-T62 VanDerWaalsContact C-N 3.31Å; N60-T62 PolarHBondContact O-N 3.42Å; T62-F90 VanDerWaalsContact O-CB 3.25Å; T62-F90 WeakPolarHBondContact O-CB 3.49Å; T62-K255 HydrophobicContact CG2-CD 3.39Å
63N97.8Very high95Very high24 Ų2425.8 Ų25.813%0.12814%0.141CC..G310 helixtrans-112.916.8-179.9-46.8-53.4000111.8A41 F42 N60 P61 V103 E104A41-N63 WeakPolarHBondContact CA-O 3.47Å; F42-N63 HydrophobicContact CB-CB 4.38Å; F42-N63 PolarHBondContact N-O 3.07Å; F42-N63 WeakPolarHBondContact O-CB 3.5Å; N60-N63 PolarHBondContact O-N 3.36Å; N60-N63 VanDerWaalsContact OD1-CB 3.27Å; N60-N63 WeakPolarHBondContact OD1-CB 3.16Å; N60-N63 PolarHBondContact OD1-ND2 3.24Å; P61-N63 VanDerWaalsContact C-N 3.34Å; P61-N63 PolarHBondContact O-N 2.94Å; N63-V103 HydrophobicContact CB-CB 4.31Å; N63-E104 PolarHBondContact OD1-N 3.34Å
64T98.1Very high94.6Very high0 Ų027.7 Ų27.70%015%0.148CC..EExtended strand (participates in β ladder)trans-113.6106.9172.9-53.70000109.3Y39 V40 A41 Q56 V57 N60 F90Y39-T64 HydrophobicContact CD1-CG2 3.87Å; V40-T64 CarbonylContact O-C 3.46Å; V40-T64 WeakPolarHBondContact O-CA 3.48Å; A41-T64 HydrophobicContact CB-CG2 3.98Å; Q56-T64 PolarHBondContact NE2-OG1 3.24Å; V57-T64 HydrophobicContact CB-CG2 4.07Å; V57-T64 HydrophobicContact CG2-CG2 3.7Å; N60-T64 WeakPolarHBondContact O-CB 3.49Å; N60-T64 PolarHBondContact O-N 3.01Å; N60-T64 PolarHBondContact O-OG1 2.83Å; T64-F90 WeakPolarHBondContact O-CD1 3.44Å
65V98.2Very high94.2Very high0 Ų030.4 Ų30.40%016%0.158CC..EExtended strand (participates in β ladder)trans-88.4134.2-179-170.60000109.5Y39 V40 F42 A68 F90 I101 V103 I117Y39-V65 WeakPolarHBondContact CA-O 3.14Å; V40-V65 PolarHBondContact N-O 3.42Å; V40-V65 PolarHBondContact O-N 3.25Å; F42-V65 HydrophobicContact CE2-CG2 4.19Å; V65-A68 HydrophobicContact CG1-CB 4.48Å; V65-F90 HydrophobicContact CG1-CE1 4.21Å; V65-F90 HydrophobicContact CG1-CE2 4.31Å; V65-F90 HydrophobicContact CG1-CZ 4.05Å; V65-I101 HydrophobicContact CG1-CD1 4.05Å; V65-I101 HydrophobicContact CG1-CG2 4.1Å; V65-I101 HydrophobicContact CG2-CG2 3.65Å; V65-V103 HydrophobicContact CG2-CG1 3.76Å; V65-I117 HydrophobicContact CB-CG2 4.23Å; V65-I117 HydrophobicContact CG1-CG1 4.29Å; V65-I117 HydrophobicContact CG1-CG2 3.88Å; V65-I117 HydrophobicContact CG2-CD1 4.31Å
66F96.2Very high94Very high2 Ų226.5 Ų26.51%0.00913%0.134CC..  trans-142.8170.2173.459.8-83.4000108.2Y39 A68 W88 P89 F90Y39-F66 HydrophobicContact CD1-CB 3.86Å; Y39-F66 HydrophobicContact CD1-CG 4.47Å; Y39-F66 HydrophobicContact CD2-CB 3.86Å; Y39-F66 HydrophobicContact CE1-CB 3.65Å; Y39-F66 AromaticContact CE1-CD1 3.98Å; Y39-F66 HydrophobicContact CE1-CD1 3.98Å; Y39-F66 AromaticContact CE1-CG 3.88Å; Y39-F66 HydrophobicContact CE1-CG 3.88Å; Y39-F66 HydrophobicContact CE2-CB 3.63Å; Y39-F66 HydrophobicContact CE2-CG 4.38Å; Y39-F66 HydrophobicContact CG-CB 3.95Å; Y39-F66 AromaticContact CZ-CG 3.8Å; F66-A68 PolarHBondContact O-N 3.1Å; F66-A68 VanDerWaalsContact O-N 3.1Å; F66-W88 AromaticContact CE2-CD1 3.82Å; F66-W88 AromaticContact CZ-CD1 3.87Å; F66-P89 HydrophobicContact CE1-CG 3.89Å; F66-P89 HydrophobicContact CZ-CG 4.44Å; F66-F90 AromaticContact CD1-CE1 3.9Å; F66-F90 HydrophobicContact CD1-CE1 3.9Å; F66-F90 HydrophobicContact CE1-CD1 4.34Å; F66-F90 AromaticContact CE1-CE1 3.89Å; F66-F90 HydrophobicContact CE1-CE1 3.89Å; F66-F90 HydrophobicContact CG-CE1 4.46Å; F66-F90 HydrophobicContact CZ-CE1 4.44Å; F66-F90 WeakPolarHBondContact O-CZ 3.44Å
67D94.5Very high93.8Very high6 Ų629.1 Ų29.13%0.03215%0.15CC..  trans5623.1-175.8-56.3-24.7000114.5T11 K69 R70 W88T11-D67 HydrophobicContact CG2-CB 4.11Å; D67-K69 PolarHBondContact O-N 3.28Å; D67-R70 HydrophobicContact CB-CG 4.44Å; D67-R70 WeakPolarHBondContact O-CB 3.28Å; D67-R70 PolarHBondContact O-N 3.47Å; D67-W88 HydrophobicContact CB-CZ2 4.28Å; D67-W88 PolarHBondContact OD2-NE1 3.46Å
68A95.3Very high93.5Very high7 Ų730.4 Ų30.46%0.05816%0.156CC..G310 helixtrans-56.7-26.6-178.500000112.6V65 F66 R70 L71 I72 I117V65-A68 HydrophobicContact CG1-CB 4.48Å; F66-A68 PolarHBondContact O-N 3.1Å; F66-A68 VanDerWaalsContact O-N 3.1Å; A68-R70 VanDerWaalsContact C-N 3.25Å; A68-R70 PolarHBondContact O-N 3.48Å; A68-L71 WeakPolarHBondContact O-CB 3.48Å; A68-L71 PolarHBondContact O-N 3.39Å; A68-I72 PolarHBondContact O-N 2.86Å; A68-I117 HydrophobicContact CB-CB 4.04Å; A68-I117 HydrophobicContact CB-CG2 3.54Å
69K94.7Very high93.4Very high10 Ų1034 Ų344%0.04318%0.178CC..G310 helixtrans-59.9-29.5173-165.7178.7-168.9175.90113.7L9 D67 L71 I72 F148 E173L9-K69 WeakPolarHBondContact O-CD 3.43Å; L9-K69 WeakPolarHBondContact O-CE 3.26Å; L9-K69 PolarHBondContact O-NZ 2.89Å; D67-K69 PolarHBondContact O-N 3.28Å; K69-L71 PolarHBondContact O-N 2.93Å; K69-I72 VanDerWaalsContact O-CG2 3.29Å; K69-I72 WeakPolarHBondContact O-CG2 3.15Å; K69-F148 HydrophobicContact CG-CZ 4.06Å; K69-E173 IonicContact NZ-OE1 3.12Å; K69-E173 PolarHBondContact NZ-OE1 2.79Å
70R93.3Very high93.1Very high11 Ų1127.5 Ų27.54%0.04215%0.147CC..G310 helixtrans-69.3-18.4173.9-70.2-180168.4-106.22.7112.6T11 D67 A68 D84 W88 G201 D230T11-R70 HydrophobicContact CG2-CG 4.09Å; D67-R70 HydrophobicContact CB-CG 4.44Å; D67-R70 WeakPolarHBondContact O-CB 3.28Å; D67-R70 PolarHBondContact O-N 3.47Å; A68-R70 VanDerWaalsContact C-N 3.25Å; A68-R70 PolarHBondContact O-N 3.48Å; R70-D84 WeakPolarHBondContact CD-OD2 3.21Å; R70-D84 IonicContact CZ-OD2 3.28Å; R70-D84 IonicContact NH1-OD1 3.57Å; R70-D84 PolarHBondContact NH1-OD1 3.2Å; R70-D84 IonicContact NH1-OD2 2.66Å; R70-D84 PolarHBondContact NH1-OD2 2.71Å; R70-W88 HydrophobicContact CB-CZ2 4.3Å; R70-G201 PolarHBondContact NH2-O 3.01Å; R70-D230 IonicContact CZ-OD2 2.83Å; R70-D230 IonicContact NH1-OD1 3.4Å; R70-D230 IonicContact NH2-OD1 3.67Å; R70-D230 PolarHBondContact NH2-OD1 3.07Å; R70-D230 IonicContact NH2-OD2 2.69Å; R70-D230 PolarHBondContact NH2-OD2 3.42Å
71L94.2Very high92.9Very high2 Ų226.3 Ų26.31%0.0114%0.141CC..THydrogen-bonded Turntrans-99.8-19.8-178.3-65.2175.2000113.6A68 K69 G73 R74 V81 W88 V92 L99 I101 A114A68-L71 WeakPolarHBondContact O-CB 3.48Å; A68-L71 PolarHBondContact O-N 3.39Å; K69-L71 PolarHBondContact O-N 2.93Å; L71-G73 PolarHBondContact O-N 3.26Å; L71-R74 WeakPolarHBondContact O-CB 3.36Å; L71-R74 PolarHBondContact O-N 2.72Å; L71-V81 HydrophobicContact CD2-CG1 3.89Å; L71-V81 HydrophobicContact CD2-CG2 4.2Å; L71-W88 HydrophobicContact CD1-CH2 3.97Å; L71-W88 HydrophobicContact CD1-CZ3 3.95Å; L71-W88 HydrophobicContact CD2-CH2 3.38Å; L71-W88 HydrophobicContact CD2-CZ3 3.56Å; L71-W88 HydrophobicContact CG-CH2 3.62Å; L71-W88 HydrophobicContact CG-CZ2 4.38Å; L71-W88 HydrophobicContact CG-CZ3 4.01Å; L71-V92 HydrophobicContact CD1-CG2 4.25Å; L71-L99 HydrophobicContact CB-CD2 4.27Å; L71-L99 HydrophobicContact CD1-CD2 4.16Å; L71-L99 HydrophobicContact CD2-CD1 3.67Å; L71-L99 HydrophobicContact CD2-CD2 4.18Å; L71-L99 HydrophobicContact CG-CD2 4.45Å; L71-I101 HydrophobicContact CD1-CD1 3.79Å; L71-I101 HydrophobicContact CD1-CG1 3.94Å; L71-A114 HydrophobicContact CB-CB 3.65Å
72I92.4Very high92.9Very high1 Ų129.4 Ų29.41%0.00516%0.155CC..THydrogen-bonded Turntrans-61.4128.8-172.2-157.6167.3000111.2A68 K69 R74 A114 E115 F148 Q152 A155 A159A68-I72 PolarHBondContact O-N 2.86Å; K69-I72 VanDerWaalsContact O-CG2 3.29Å; K69-I72 WeakPolarHBondContact O-CG2 3.15Å; I72-R74 PolarHBondContact O-N 3.43Å; I72-R74 VanDerWaalsContact O-N 3.08Å; I72-A114 HydrophobicContact CB-CB 4.38Å; I72-E115 HydrophobicContact CG1-CG 4.27Å; I72-F148 HydrophobicContact CG2-CE2 3.74Å; I72-F148 HydrophobicContact CG2-CZ 3.96Å; I72-Q152 WeakPolarHBondContact O-CG 3.38Å; I72-A155 HydrophobicContact CD1-CB 4.37Å; I72-A155 HydrophobicContact CG1-CB 3.63Å; I72-A159 HydrophobicContact CD1-CB 4.43Å
73G89.7Confident92.7Very high12 Ų1229.7 Ų29.712%0.12416%0.159CC..THydrogen-bonded Turntrans62.511.6-18000000116.2L71 S151L71-G73 PolarHBondContact O-N 3.26Å; G73-S151 PolarHBondContact O-OG 3.17Å
74R89.7Confident92.4Very high41 Ų4129.2 Ų29.216%0.15516%0.156CC..  trans-94.6157.8179-68.3-85.3-173.7-169.3-6.5111.9L71 I72 D78 V81 T224 H225L71-R74 WeakPolarHBondContact O-CB 3.36Å; L71-R74 PolarHBondContact O-N 2.72Å; I72-R74 PolarHBondContact O-N 3.43Å; I72-R74 VanDerWaalsContact O-N 3.08Å; R74-D78 VanDerWaalsContact CD-OD2 3.26Å; R74-D78 WeakPolarHBondContact CD-OD2 3.49Å; R74-D78 IonicContact CZ-OD2 2.58Å; R74-D78 IonicContact NE-OD2 3.93Å; R74-D78 IonicContact NH1-OD2 3.69Å; R74-D78 PolarHBondContact NH1-OD2 3.39Å; R74-V81 HydrophobicContact CB-CG2 3.78Å; R74-V81 HydrophobicContact CG-CG2 4.18Å; R74-T224 PolarHBondContact NH2-OG1 2.78Å; R74-T224 VanDerWaalsContact NH2-OG1 3.11Å; R74-H225 PolarHBondContact NH2-CE1 3.02Å
75R87.9Confident92.2Very high89 Ų8931.5 Ų31.534%0.33617%0.167SC..  trans-89151.5170.9-55.8-165.8-48.7-122.3-4.5110.6D77 D78R75-D77 WeakPolarHBondContact CB-OD1 3.3Å; R75-D77 IonicContact CZ-OD1 2.72Å; R75-D77 IonicContact NE-OD1 3.89Å; R75-D77 PolarHBondContact NE-OD1 2.92Å; R75-D77 IonicContact NE-OD2 3.64Å; R75-D77 IonicContact NH2-OD1 3.49Å; R75-D77 IonicContact NH2-OD2 3.26Å; R75-D77 PolarHBondContact O-N 2.93Å; R75-D78 WeakPolarHBondContact O-CB 3.3Å; R75-D78 PolarHBondContact O-N 3.02Å
76F91.3Very high91.9Very high43 Ų4339.2 Ų39.219%0.18920%0.201CC..THydrogen-bonded Turntrans-58.4-36.2175.3-177-99000112.9D78 Q82 M85 V92 T93 Q94 L99F76-D78 VanDerWaalsContact C-N 3.31Å; F76-D78 PolarHBondContact O-N 3.25Å; F76-Q82 PolarHBondContact O-NE2 3.23Å; F76-M85 HydrophobicContact CE2-CE 3.89Å; F76-M85 HydrophobicContact CE2-SD 3.96Å; F76-M85 HydrophobicContact CZ-CE 4.14Å; F76-M85 HydrophobicContact CZ-SD 4.47Å; F76-V92 HydrophobicContact CD2-CG1 4.39Å; F76-V92 HydrophobicContact CE2-CG1 4.35Å; F76-T93 WeakPolarHBondContact CD2-O 3.08Å; F76-Q94 HydrophobicContact CB-CB 3.95Å; F76-Q94 HydrophobicContact CB-CG 3.84Å; F76-Q94 HydrophobicContact CD1-CB 3.9Å; F76-Q94 HydrophobicContact CD1-CG 4.45Å; F76-Q94 HydrophobicContact CD2-CB 4Å; F76-Q94 HydrophobicContact CE1-CB 4.41Å; F76-Q94 HydrophobicContact CE2-CB 4.5Å; F76-Q94 HydrophobicContact CG-CB 3.67Å; F76-Q94 HydrophobicContact CG-CG 4.13Å; F76-L99 HydrophobicContact CB-CB 4.46Å; F76-L99 HydrophobicContact CD2-CD1 4.38Å; F76-L99 HydrophobicContact CD2-CG 4.4Å
77D89.9Confident91.6Very high92 Ų9241.6 Ų41.649%0.49221%0.212SC..THydrogen-bonded Turntrans-84.63.4-177.868.5-19.9000114.5R75R75-D77 WeakPolarHBondContact CB-OD1 3.3Å; R75-D77 IonicContact CZ-OD1 2.72Å; R75-D77 IonicContact NE-OD1 3.89Å; R75-D77 PolarHBondContact NE-OD1 2.92Å; R75-D77 IonicContact NE-OD2 3.64Å; R75-D77 IonicContact NH2-OD1 3.49Å; R75-D77 IonicContact NH2-OD2 3.26Å; R75-D77 PolarHBondContact O-N 2.93Å
78D87.6Confident91.6Very high31 Ų3142.4 Ų42.417%0.16621%0.214CC..  trans-62.1126.6176.2-171.3-42.3000109.7R74 R75 F76 S80 V81 Q82R74-D78 VanDerWaalsContact CD-OD2 3.26Å; R74-D78 WeakPolarHBondContact CD-OD2 3.49Å; R74-D78 IonicContact CZ-OD2 2.58Å; R74-D78 IonicContact NE-OD2 3.93Å; R74-D78 IonicContact NH1-OD2 3.69Å; R74-D78 PolarHBondContact NH1-OD2 3.39Å; R75-D78 WeakPolarHBondContact O-CB 3.3Å; R75-D78 PolarHBondContact O-N 3.02Å; F76-D78 VanDerWaalsContact C-N 3.31Å; F76-D78 PolarHBondContact O-N 3.25Å; D78-S80 PolarHBondContact O-N 3.35Å; D78-S80 VanDerWaalsContact O-N 3.12Å; D78-S80 WeakPolarHBondContact OD1-CB 3.47Å; D78-S80 PolarHBondContact OD1-N 3.02Å; D78-S80 PolarHBondContact OD1-OG 2.88Å; D78-V81 HydrophobicContact CB-CB 4.17Å; D78-V81 HydrophobicContact CB-CG2 3.92Å; D78-V81 WeakPolarHBondContact O-CB 3.47Å; D78-V81 PolarHBondContact O-N 3.09Å; D78-V81 VanDerWaalsContact O-N 3.1Å; D78-Q82 WeakPolarHBondContact O-CG 3.44Å; D78-Q82 PolarHBondContact O-N 3.2Å
79P89.6Confident91.5Very high105 Ų10542.8 Ų42.868%0.68222%0.216SC*.Hα-helixtrans-54.1-32.5-179.9-28.335.5000114.2S83P79-S83 PolarHBondContact O-N 2.89Å; P79-S83 VanDerWaalsContact O-N 3.07Å
80S87.8Confident91.6Very high18 Ų1842.7 Ų42.713%0.12622%0.216CC..Hα-helixtrans-69-46.7177.560.10000111.9D78 Q82 S83 D84 H225D78-S80 PolarHBondContact O-N 3.35Å; D78-S80 VanDerWaalsContact O-N 3.12Å; D78-S80 WeakPolarHBondContact OD1-CB 3.47Å; D78-S80 PolarHBondContact OD1-N 3.02Å; D78-S80 PolarHBondContact OD1-OG 2.88Å; S80-Q82 VanDerWaalsContact C-N 3.3Å; S80-Q82 PolarHBondContact O-N 3.39Å; S80-S83 WeakPolarHBondContact O-CA 3.5Å; S80-S83 WeakPolarHBondContact O-CB 3.35Å; S80-S83 PolarHBondContact O-N 2.87Å; S80-D84 PolarHBondContact O-N 2.91Å; S80-H225 WeakPolarHBondContact CB-CE1 3.48Å; S80-H225 WeakPolarHBondContact CB-NE2 3.24Å; S80-H225 PolarHBondContact OG-CE1 3.12Å; S80-H225 VanDerWaalsContact OG-CE1 3.23Å; S80-H225 PolarHBondContact OG-NE2 3.35Å
81V91.5Very high91.7Very high0 Ų046.4 Ų46.40%023%0.234CC..Hα-helixtrans-57.3-44.8173.4172.60000110.7L71 R74 D78 S83 D84 M85 L99L71-V81 HydrophobicContact CD2-CG1 3.89Å; L71-V81 HydrophobicContact CD2-CG2 4.2Å; R74-V81 HydrophobicContact CB-CG2 3.78Å; R74-V81 HydrophobicContact CG-CG2 4.18Å; D78-V81 HydrophobicContact CB-CB 4.17Å; D78-V81 HydrophobicContact CB-CG2 3.92Å; D78-V81 WeakPolarHBondContact O-CB 3.47Å; D78-V81 PolarHBondContact O-N 3.09Å; D78-V81 VanDerWaalsContact O-N 3.1Å; V81-S83 PolarHBondContact O-N 3.49Å; V81-D84 PolarHBondContact O-N 3.31Å; V81-M85 HydrophobicContact CG1-CG 4.27Å; V81-M85 HydrophobicContact CG1-SD 3.97Å; V81-M85 WeakPolarHBondContact O-CB 3.33Å; V81-M85 WeakPolarHBondContact O-CG 3.06Å; V81-M85 PolarHBondContact O-N 3.48Å; V81-L99 HydrophobicContact CG1-CD1 3.66Å
82Q94.5Very high91.8Very high76 Ų7646.8 Ų46.836%0.35524%0.236SC..Hα-helixtrans-63.3-29.6177.2-68.3-62-51.600113.1F76 D78 S80 K86F76-Q82 PolarHBondContact O-NE2 3.23Å; D78-Q82 WeakPolarHBondContact O-CG 3.44Å; D78-Q82 PolarHBondContact O-N 3.2Å; S80-Q82 VanDerWaalsContact C-N 3.3Å; S80-Q82 PolarHBondContact O-N 3.39Å; Q82-K86 WeakPolarHBondContact O-CE 3.43Å
83S92.2Very high92Very high54 Ų5448.5 Ų48.538%0.37825%0.247SC..Hα-helixtrans-73.4-50.7173.4-167.10000111.1P79 S80 V81 M85 K86P79-S83 PolarHBondContact O-N 2.89Å; P79-S83 VanDerWaalsContact O-N 3.07Å; S80-S83 WeakPolarHBondContact O-CA 3.5Å; S80-S83 WeakPolarHBondContact O-CB 3.35Å; S80-S83 PolarHBondContact O-N 2.87Å; V81-S83 PolarHBondContact O-N 3.49Å; S83-M85 VanDerWaalsContact C-N 3.32Å; S83-M85 PolarHBondContact O-N 3.13Å; S83-K86 WeakPolarHBondContact O-CB 3.49Å; S83-K86 WeakPolarHBondContact O-CG 3.49Å; S83-K86 PolarHBondContact O-N 3.4Å; S83-K86 VanDerWaalsContact O-N 3.15Å
84D92.5Very high92.1Very high13 Ų1352 Ų527%0.0726%0.26CS..Hα-helixtrans-65.3-34.7-175.4-71.1-13.7000112.4R70 S80 V81 K86 H87 W88 H225R70-D84 WeakPolarHBondContact CD-OD2 3.21Å; R70-D84 IonicContact CZ-OD2 3.28Å; R70-D84 IonicContact NH1-OD1 3.57Å; R70-D84 PolarHBondContact NH1-OD1 3.2Å; R70-D84 IonicContact NH1-OD2 2.66Å; R70-D84 PolarHBondContact NH1-OD2 2.71Å; S80-D84 PolarHBondContact O-N 2.91Å; V81-D84 PolarHBondContact O-N 3.31Å; D84-K86 PolarHBondContact O-N 3.47Å; D84-H87 WeakPolarHBondContact O-CB 3.39Å; D84-H87 PolarHBondContact O-N 3.18Å; D84-W88 HydrophobicContact CB-CH2 3.51Å; D84-W88 HydrophobicContact CB-CZ2 3.55Å; D84-W88 HydrophobicContact CB-CZ3 4.17Å; D84-H225 IonicContact OD2-CD2 3.59Å
85M93.4Very high92Very high49 Ų4953.6 Ų53.624%0.24127%0.274CS..THydrogen-bonded Turntrans-54.4-24174.5-78.817761.500114.2F76 V81 S83 H87 W88 V92F76-M85 HydrophobicContact CE2-CE 3.89Å; F76-M85 HydrophobicContact CE2-SD 3.96Å; F76-M85 HydrophobicContact CZ-CE 4.14Å; F76-M85 HydrophobicContact CZ-SD 4.47Å; V81-M85 HydrophobicContact CG1-CG 4.27Å; V81-M85 HydrophobicContact CG1-SD 3.97Å; V81-M85 WeakPolarHBondContact O-CB 3.33Å; V81-M85 WeakPolarHBondContact O-CG 3.06Å; V81-M85 PolarHBondContact O-N 3.48Å; S83-M85 VanDerWaalsContact C-N 3.32Å; S83-M85 PolarHBondContact O-N 3.13Å; M85-H87 PolarHBondContact O-N 2.94Å; M85-W88 HydrophobicContact CB-CE3 4.31Å; M85-W88 HydrophobicContact CB-CZ3 4.37Å; M85-W88 HydrophobicContact CG-CE3 3.89Å; M85-W88 HydrophobicContact CG-CZ3 3.65Å; M85-V92 HydrophobicContact CE-CB 3.92Å; M85-V92 HydrophobicContact CE-CG1 4.45Å; M85-V92 WeakPolarHBondContact CE-O 3.33Å; M85-V92 HydrophobicContact CG-CB 4.03Å; M85-V92 HydrophobicContact CG-CG1 4.43Å; M85-V92 HydrophobicContact CG-CG2 4.37Å; M85-V92 HydrophobicContact SD-CB 3.98Å; M85-V92 HydrophobicContact SD-CG1 4.05Å
86K91.2Very high91.8Very high162 Ų16253.2 Ų53.270%0.70430%0.298SS*.THydrogen-bonded Turntrans-71.9-17.3177.7-60.8170.2-172.8165.30112.8Q82 S83 D84Q82-K86 WeakPolarHBondContact O-CE 3.43Å; S83-K86 WeakPolarHBondContact O-CB 3.49Å; S83-K86 WeakPolarHBondContact O-CG 3.49Å; S83-K86 PolarHBondContact O-N 3.4Å; S83-K86 VanDerWaalsContact O-N 3.15Å; D84-K86 PolarHBondContact O-N 3.47Å
87H90.5Very high91.4Very high52 Ų5253 Ų5324%0.24131%0.308CS..THydrogen-bonded Turntrans-104.7-10-174.3-62.4-63.6000113.3D84 M85 N233 R262D84-H87 WeakPolarHBondContact O-CB 3.39Å; D84-H87 PolarHBondContact O-N 3.18Å; M85-H87 PolarHBondContact O-N 2.94Å; H87-N233 PolarHBondContact ND1-OD1 3.17Å; H87-R262 PolarHBondContact O-NH2 3.02Å
88W93.7Very high91.1Very high22 Ų2250.3 Ų50.38%0.08329%0.292CS..  trans-92.2139.4-179.2-62.4-37.5000113F66 D67 R70 L71 D84 M85 F90 V92F66-W88 AromaticContact CE2-CD1 3.82Å; F66-W88 AromaticContact CZ-CD1 3.87Å; D67-W88 HydrophobicContact CB-CZ2 4.28Å; D67-W88 PolarHBondContact OD2-NE1 3.46Å; R70-W88 HydrophobicContact CB-CZ2 4.3Å; L71-W88 HydrophobicContact CD1-CH2 3.97Å; L71-W88 HydrophobicContact CD1-CZ3 3.95Å; L71-W88 HydrophobicContact CD2-CH2 3.38Å; L71-W88 HydrophobicContact CD2-CZ3 3.56Å; L71-W88 HydrophobicContact CG-CH2 3.62Å; L71-W88 HydrophobicContact CG-CZ2 4.38Å; L71-W88 HydrophobicContact CG-CZ3 4.01Å; D84-W88 HydrophobicContact CB-CH2 3.51Å; D84-W88 HydrophobicContact CB-CZ2 3.55Å; D84-W88 HydrophobicContact CB-CZ3 4.17Å; M85-W88 HydrophobicContact CB-CE3 4.31Å; M85-W88 HydrophobicContact CB-CZ3 4.37Å; M85-W88 HydrophobicContact CG-CE3 3.89Å; M85-W88 HydrophobicContact CG-CZ3 3.65Å; W88-F90 HydrophobicContact CB-CD1 4.14Å; W88-F90 HydrophobicContact CB-CD2 4.21Å; W88-F90 HydrophobicContact CB-CE1 3.81Å; W88-F90 HydrophobicContact CB-CE2 3.89Å; W88-F90 HydrophobicContact CB-CG 4.33Å; W88-F90 HydrophobicContact CB-CZ 3.69Å; W88-F90 AromaticContact CD1-CE1 3.95Å; W88-F90 AromaticContact CD1-CZ 3.72Å; W88-F90 HydrophobicContact CD2-CE1 4.46Å; W88-F90 AromaticContact CD2-CE2 3.8Å; W88-F90 HydrophobicContact CD2-CE2 3.8Å; W88-F90 AromaticContact CD2-CZ 3.58Å; W88-F90 HydrophobicContact CD2-CZ 3.58Å; W88-F90 AromaticContact CE3-CE2 3.81Å; W88-F90 HydrophobicContact CE3-CE2 3.81Å; W88-F90 HydrophobicContact CE3-CZ 4.08Å; W88-F90 AromaticContact CG-CE1 3.81Å; W88-F90 HydrophobicContact CG-CE1 3.81Å; W88-F90 AromaticContact CG-CE2 3.85Å; W88-F90 HydrophobicContact CG-CE2 3.85Å; W88-F90 AromaticContact CG-CZ 3.38Å; W88-F90 HydrophobicContact CG-CZ 3.38Å; W88-V92 HydrophobicContact CE3-CG2 3.86Å; W88-V92 HydrophobicContact CZ3-CG2 4.08Å
89P94.3Very high91.4Very high15 Ų1549.4 Ų49.410%0.09729%0.287CS..SBendtrans-77.5-25.117430.5-35000113.3P61 F66 K255P61-P89 HydrophobicContact CB-CB 3.87Å; P61-P89 HydrophobicContact CB-CG 4.15Å; P61-P89 WeakPolarHBondContact O-CB 3.17Å; P61-P89 WeakPolarHBondContact O-CG 3.42Å; F66-P89 HydrophobicContact CE1-CG 3.89Å; F66-P89 HydrophobicContact CZ-CG 4.44Å; P89-K255 HydrophobicContact CB-CB 4.45Å; P89-K255 HydrophobicContact CB-CD 4.36Å; P89-K255 WeakPolarHBondContact O-CD 3.49Å; P89-K255 WeakPolarHBondContact O-CE 3.39Å; P89-K255 PolarHBondContact O-NZ 3.22Å
90F95.9Very high91.6Very high8 Ų845.5 Ų45.54%0.03526%0.259CS..SBendtrans-83.6156.7178.853.9-97.3000111.6T62 T64 V65 F66 W88 V92 I101T62-F90 VanDerWaalsContact O-CB 3.25Å; T62-F90 WeakPolarHBondContact O-CB 3.49Å; T64-F90 WeakPolarHBondContact O-CD1 3.44Å; V65-F90 HydrophobicContact CG1-CE1 4.21Å; V65-F90 HydrophobicContact CG1-CE2 4.31Å; V65-F90 HydrophobicContact CG1-CZ 4.05Å; F66-F90 AromaticContact CD1-CE1 3.9Å; F66-F90 HydrophobicContact CD1-CE1 3.9Å; F66-F90 HydrophobicContact CE1-CD1 4.34Å; F66-F90 AromaticContact CE1-CE1 3.89Å; F66-F90 HydrophobicContact CE1-CE1 3.89Å; F66-F90 HydrophobicContact CG-CE1 4.46Å; F66-F90 HydrophobicContact CZ-CE1 4.44Å; F66-F90 WeakPolarHBondContact O-CZ 3.44Å; W88-F90 HydrophobicContact CB-CD1 4.14Å; W88-F90 HydrophobicContact CB-CD2 4.21Å; W88-F90 HydrophobicContact CB-CE1 3.81Å; W88-F90 HydrophobicContact CB-CE2 3.89Å; W88-F90 HydrophobicContact CB-CG 4.33Å; W88-F90 HydrophobicContact CB-CZ 3.69Å; W88-F90 AromaticContact CD1-CE1 3.95Å; W88-F90 AromaticContact CD1-CZ 3.72Å; W88-F90 HydrophobicContact CD2-CE1 4.46Å; W88-F90 AromaticContact CD2-CE2 3.8Å; W88-F90 HydrophobicContact CD2-CE2 3.8Å; W88-F90 AromaticContact CD2-CZ 3.58Å; W88-F90 HydrophobicContact CD2-CZ 3.58Å; W88-F90 AromaticContact CE3-CE2 3.81Å; W88-F90 HydrophobicContact CE3-CE2 3.81Å; W88-F90 HydrophobicContact CE3-CZ 4.08Å; W88-F90 AromaticContact CG-CE1 3.81Å; W88-F90 HydrophobicContact CG-CE1 3.81Å; W88-F90 AromaticContact CG-CE2 3.85Å; W88-F90 HydrophobicContact CG-CE2 3.85Å; W88-F90 AromaticContact CG-CZ 3.38Å; W88-F90 HydrophobicContact CG-CZ 3.38Å; F90-V92 HydrophobicContact CD2-CG2 3.85Å; F90-V92 HydrophobicContact CE2-CG2 3.71Å; F90-I101 HydrophobicContact CD2-CG2 3.86Å; F90-I101 HydrophobicContact CE2-CG2 4.31Å
91E96Very high92.1Very high90 Ų9044.6 Ų44.642%0.42125%0.253SS..EExtended strand (participates in β ladder)trans-86.3132.7-179.7176-166169.500109.9C102 K109E91-C102 HydrophobicContact CB-CB 3.86Å; E91-C102 HydrophobicContact CG-CB 4.02Å; E91-C102 PolarHBondContact O-N 2.91Å; E91-K109 IonicContact OE1-NZ 3.35Å; E91-K109 IonicContact OE2-NZ 2.66Å; E91-K109 PolarHBondContact OE2-NZ 3.39Å
92V96.6Very high92.4Very high10 Ų1044.9 Ų44.96%0.06126%0.255CS..EExtended strand (participates in β ladder)trans-115.9129.1169.3-179.40000108L71 F76 M85 W88 F90 L99 K100 I101L71-V92 HydrophobicContact CD1-CG2 4.25Å; F76-V92 HydrophobicContact CD2-CG1 4.39Å; F76-V92 HydrophobicContact CE2-CG1 4.35Å; M85-V92 HydrophobicContact CE-CB 3.92Å; M85-V92 HydrophobicContact CE-CG1 4.45Å; M85-V92 WeakPolarHBondContact CE-O 3.33Å; M85-V92 HydrophobicContact CG-CB 4.03Å; M85-V92 HydrophobicContact CG-CG1 4.43Å; M85-V92 HydrophobicContact CG-CG2 4.37Å; M85-V92 HydrophobicContact SD-CB 3.98Å; M85-V92 HydrophobicContact SD-CG1 4.05Å; W88-V92 HydrophobicContact CE3-CG2 3.86Å; W88-V92 HydrophobicContact CZ3-CG2 4.08Å; F90-V92 HydrophobicContact CD2-CG2 3.85Å; F90-V92 HydrophobicContact CE2-CG2 3.71Å; V92-L99 HydrophobicContact CG1-CD1 3.67Å; V92-L99 HydrophobicContact CG1-CD2 3.61Å; V92-L99 HydrophobicContact CG1-CG 3.49Å; V92-L99 VanDerWaalsContact CG1-CG 3.49Å; V92-K100 CarbonylContact C-O 3.54Å; V92-K100 WeakPolarHBondContact CA-O 3.45Å; V92-I101 HydrophobicContact CG2-CG1 4.4Å
93T95.1Very high92.6Very high37 Ų3741.5 Ų41.523%0.22724%0.239CC..EExtended strand (participates in β ladder)trans-133.6180-175.7-165.10000111F76 V95 L99 K100 C102F76-T93 WeakPolarHBondContact CD2-O 3.08Å; T93-V95 HydrophobicContact CG2-CG2 4.38Å; T93-L99 CarbonylContact O-C 3.5Å; T93-L99 WeakPolarHBondContact O-CA 3.43Å; T93-K100 HydrophobicContact CG2-CB 4.1Å; T93-K100 PolarHBondContact N-O 3.38Å; T93-K100 PolarHBondContact O-N 2.97Å; T93-C102 WeakPolarHBondContact CG2-SG 3.4Å
94Q92.2Very high92.8Very high85 Ų8543.5 Ų43.540%0.39724%0.243SC..EExtended strand (participates in β ladder)trans-123.5128.4176.4-164.617817.800110.8F76 G97 K98F76-Q94 HydrophobicContact CB-CB 3.95Å; F76-Q94 HydrophobicContact CB-CG 3.84Å; F76-Q94 HydrophobicContact CD1-CB 3.9Å; F76-Q94 HydrophobicContact CD1-CG 4.45Å; F76-Q94 HydrophobicContact CD2-CB 4Å; F76-Q94 HydrophobicContact CE1-CB 4.41Å; F76-Q94 HydrophobicContact CE2-CB 4.5Å; F76-Q94 HydrophobicContact CG-CB 3.67Å; F76-Q94 HydrophobicContact CG-CG 4.13Å; Q94-G97 VanDerWaalsContact NE2-C 3.32Å; Q94-G97 PolarHBondContact NE2-O 2.79Å; Q94-K98 CarbonylContact C-O 3.56Å; Q94-K98 VanDerWaalsContact CA-O 3.3Å; Q94-K98 WeakPolarHBondContact CA-O 3.17Å
95V89.1Confident93Very high74 Ų7443 Ų4345%0.44824%0.24SC..EExtended strand (participates in β ladder)trans-128.8124.9174.4-178.20000108.8T93 G97 K98 K100 M111T93-V95 HydrophobicContact CG2-CG2 4.38Å; V95-G97 PolarHBondContact O-N 2.92Å; V95-K98 PolarHBondContact N-O 3.48Å; V95-K98 PolarHBondContact O-N 2.89Å; V95-K100 HydrophobicContact CB-CG 4.19Å; V95-K100 HydrophobicContact CG2-CG 4.22Å; V95-M111 HydrophobicContact CG2-SD 3.76Å
96G83.5Confident92.9Very high82 Ų8244.9 Ų44.985%0.84525%0.247SC*.THydrogen-bonded Turntrans58.930.2179.400000113.8K98G96-K98 VanDerWaalsContact C-N 3.28Å; G96-K98 PolarHBondContact O-N 2.89Å
97G81.7Confident92.9Very high39 Ų3939.6 Ų39.640%0.40224%0.238SC..THydrogen-bonded Turntrans84.8-10-17600000115Q94 V95Q94-G97 VanDerWaalsContact NE2-C 3.32Å; Q94-G97 PolarHBondContact NE2-O 2.79Å; V95-G97 PolarHBondContact O-N 2.92Å
98K84.6Confident93.1Very high34 Ų3442.5 Ų42.515%0.14825%0.252CS..EExtended strand (participates in β ladder)trans-101.4143.5-178.1-57.8-174.5-170.6179.50111.8Q94 V95 G96 R507 E512Q94-K98 CarbonylContact C-O 3.56Å; Q94-K98 VanDerWaalsContact CA-O 3.3Å; Q94-K98 WeakPolarHBondContact CA-O 3.17Å; V95-K98 PolarHBondContact N-O 3.48Å; V95-K98 PolarHBondContact O-N 2.89Å; G96-K98 VanDerWaalsContact C-N 3.28Å; G96-K98 PolarHBondContact O-N 2.89Å; K98-R507 VanDerWaalsContact CE-O 3.29Å; K98-R507 WeakPolarHBondContact CE-O 3.2Å; K98-R507 PolarHBondContact NZ-O 3.15Å; K98-E512 IonicContact NZ-OE1 2.73Å; K98-E512 PolarHBondContact NZ-OE1 2.89Å; K98-E512 VanDerWaalsContact NZ-OE1 3.12Å; K98-E512 IonicContact NZ-OE2 3.91Å; K98-E512 PolarHBondContact NZ-OE2 3.11Å
99L92.5Very high93.2Very high13 Ų1347.3 Ų47.37%0.06827%0.273CS..EExtended strand (participates in β ladder)trans-68.5136.9174.9-175.2150.3000110.4L71 F76 V81 V92 T93 I101L71-L99 HydrophobicContact CB-CD2 4.27Å; L71-L99 HydrophobicContact CD1-CD2 4.16Å; L71-L99 HydrophobicContact CD2-CD1 3.67Å; L71-L99 HydrophobicContact CD2-CD2 4.18Å; L71-L99 HydrophobicContact CG-CD2 4.45Å; F76-L99 HydrophobicContact CB-CB 4.46Å; F76-L99 HydrophobicContact CD2-CD1 4.38Å; F76-L99 HydrophobicContact CD2-CG 4.4Å; V81-L99 HydrophobicContact CG1-CD1 3.66Å; V92-L99 HydrophobicContact CG1-CD1 3.67Å; V92-L99 HydrophobicContact CG1-CD2 3.61Å; V92-L99 HydrophobicContact CG1-CG 3.49Å; V92-L99 VanDerWaalsContact CG1-CG 3.49Å; T93-L99 CarbonylContact O-C 3.5Å; T93-L99 WeakPolarHBondContact O-CA 3.43Å; L99-I101 HydrophobicContact CD2-CG1 4.31Å
100K95.5Very high93.3Very high22 Ų2249.1 Ų49.110%0.09628%0.28CS..EExtended strand (participates in β ladder)trans-135.2137.5176.8-69.1-64.6-176.5174.90111V92 T93 V95 M111 F112 E116V92-K100 CarbonylContact C-O 3.54Å; V92-K100 WeakPolarHBondContact CA-O 3.45Å; T93-K100 HydrophobicContact CG2-CB 4.1Å; T93-K100 PolarHBondContact N-O 3.38Å; T93-K100 PolarHBondContact O-N 2.97Å; V95-K100 HydrophobicContact CB-CG 4.19Å; V95-K100 HydrophobicContact CG2-CG 4.22Å; K100-M111 HydrophobicContact CB-CB 4.26Å; K100-F112 CarbonylContact C-O 3.58Å; K100-F112 WeakPolarHBondContact CA-O 3.5Å; K100-E116 IonicContact NZ-OE2 2.58Å; K100-E116 PolarHBondContact NZ-OE2 3.32Å
101I97.8Very high93.3Very high0 Ų052.9 Ų52.90%030%0.299CS..EExtended strand (participates in β ladder)trans-94.4121.7174.6-58.6160000107.3V65 L71 F90 V92 L99 V103 M111 F112 I117V65-I101 HydrophobicContact CG1-CD1 4.05Å; V65-I101 HydrophobicContact CG1-CG2 4.1Å; V65-I101 HydrophobicContact CG2-CG2 3.65Å; L71-I101 HydrophobicContact CD1-CD1 3.79Å; L71-I101 HydrophobicContact CD1-CG1 3.94Å; F90-I101 HydrophobicContact CD2-CG2 3.86Å; F90-I101 HydrophobicContact CE2-CG2 4.31Å; V92-I101 HydrophobicContact CG2-CG1 4.4Å; L99-I101 HydrophobicContact CD2-CG1 4.31Å; I101-V103 HydrophobicContact CG2-CG1 4.32Å; I101-M111 WeakPolarHBondContact O-CA 3.36Å; I101-F112 PolarHBondContact N-O 2.89Å; I101-F112 PolarHBondContact O-N 3.32Å; I101-I117 HydrophobicContact CD1-CG1 3.79Å
102C97.5Very high93.4Very high6 Ų648.7 Ų48.74%0.04128%0.279CS..EExtended strand (participates in β ladder)trans-97.8123.6-177.2-74.60000110.1E91 T93 K110E91-C102 HydrophobicContact CB-CB 3.86Å; E91-C102 HydrophobicContact CG-CB 4.02Å; E91-C102 PolarHBondContact O-N 2.91Å; T93-C102 WeakPolarHBondContact CG2-SG 3.4Å; C102-K110 WeakPolarHBondContact CA-O 3.35Å
103V97.8Very high93.3Very high4 Ų448.4 Ų48.42%0.02428%0.277CS..EExtended strand (participates in β ladder)trans-138.2158.4176.6-61.70000110F42 N63 V65 I101 K110 F112F42-V103 HydrophobicContact CB-CG2 4.29Å; F42-V103 HydrophobicContact CD1-CG2 4.3Å; F42-V103 HydrophobicContact CD2-CB 3.99Å; F42-V103 HydrophobicContact CD2-CG1 3.98Å; F42-V103 HydrophobicContact CD2-CG2 3.61Å; F42-V103 HydrophobicContact CE2-CG1 4.29Å; F42-V103 HydrophobicContact CE2-CG2 3.95Å; F42-V103 HydrophobicContact CG-CB 4.39Å; F42-V103 HydrophobicContact CG-CG2 3.8Å; F42-V103 HydrophobicContact CZ-CG2 4.43Å; N63-V103 HydrophobicContact CB-CB 4.31Å; V65-V103 HydrophobicContact CG2-CG1 3.76Å; I101-V103 HydrophobicContact CG2-CG1 4.32Å; V103-K110 HydrophobicContact CG2-CB 4.32Å; V103-K110 PolarHBondContact N-O 3.26Å; V103-K110 PolarHBondContact O-N 3.13Å; V103-F112 HydrophobicContact CG2-CD2 3.69Å; V103-F112 HydrophobicContact CG2-CE2 3.51Å
104E97.6Very high93.3Very high96 Ų9646.7 Ų46.745%0.44927%0.267SS..EExtended strand (participates in β ladder)trans-94.7127.8166.7-167.7172.5158.700109.4F42 N63 E108F42-E104 WeakPolarHBondContact CB-O 3.3Å; N63-E104 PolarHBondContact OD1-N 3.34Å; E104-E108 WeakPolarHBondContact CA-O 2.93Å
105Y96Very high93.5Very high4 Ų443.2 Ų43.22%0.01625%0.251CS..EExtended strand (participates in β ladder)trans-136.2123.3177.4-178.5-135000108.8F42 T43 E46 R47 G107 E108 Y523 E526F42-Y105 HydrophobicContact CB-CD2 3.93Å; F42-Y105 HydrophobicContact CB-CG 4.2Å; F42-Y105 HydrophobicContact CD1-CD1 4.33Å; F42-Y105 HydrophobicContact CD1-CD2 4.04Å; F42-Y105 AromaticContact CD1-CG 3.88Å; F42-Y105 HydrophobicContact CD1-CG 3.88Å; T43-Y105 WeakPolarHBondContact O-CD2 3.48Å; E46-Y105 WeakPolarHBondContact O-CE2 3.37Å; R47-Y105 HydrophobicContact CG-CD2 4.39Å; R47-Y105 HydrophobicContact CG-CE1 4.18Å; R47-Y105 HydrophobicContact CG-CE2 3.75Å; Y105-G107 VanDerWaalsContact C-N 3.27Å; Y105-G107 PolarHBondContact O-N 2.87Å; Y105-E108 PolarHBondContact N-O 2.88Å; Y105-E108 PolarHBondContact O-N 2.73Å; Y105-Y523 HydrophobicContact CD1-CE1 4.37Å; Y105-Y523 HydrophobicContact CE1-CD1 4.13Å; Y105-Y523 AromaticContact CE1-CE1 3.96Å; Y105-Y523 HydrophobicContact CE1-CE1 3.96Å; Y105-E526 PolarHBondContact OH-OE2 3.23Å
106K92.4Very high93.9Very high88 Ų8840.4 Ų40.438%0.38323%0.233SC..THydrogen-bonded Turntrans52.442.7-176.2-61.8179.3171.71720113.2T43 S45 E108 E526T43-K106 PolarHBondContact O-N 2.84Å; T43-K106 VanDerWaalsContact O-N 3.1Å; S45-K106 VanDerWaalsContact O-CE 3.24Å; S45-K106 WeakPolarHBondContact O-CE 3.33Å; K106-E108 PolarHBondContact O-N 2.9Å; K106-E526 IonicContact NZ-OE2 3.59Å; K106-E526 PolarHBondContact NZ-OE2 3.35Å
107G90.7Very high94.6Very high51 Ų5136.6 Ų36.653%0.52619%0.193SC..THydrogen-bonded Turntrans70.95.5-178.400000115.5Y105Y105-G107 VanDerWaalsContact C-N 3.27Å; Y105-G107 PolarHBondContact O-N 2.87Å
108E94.9Very high95.3Very high112 Ų11234.9 Ų34.952%0.52318%0.175SC..EExtended strand (participates in β ladder)trans-113.9137.4178.1-66.2-175.6173.900111.4E104 Y105 K106 K110E104-E108 WeakPolarHBondContact CA-O 2.93Å; Y105-E108 PolarHBondContact N-O 2.88Å; Y105-E108 PolarHBondContact O-N 2.73Å; K106-E108 PolarHBondContact O-N 2.9Å; E108-K110 PolarHBondContact O-N 3.45Å; E108-K110 WeakPolarHBondContact OE2-CE 3.4Å; E108-K110 IonicContact OE2-NZ 3.5Å; E108-K110 PolarHBondContact OE2-NZ 3.01Å
109K96.5Very high96Very high123 Ų12333.5 Ų33.554%0.53517%0.169SC..EExtended strand (participates in β ladder)trans-69.1118.4170.1-169.8171.9-172.6169.20109.5E91E91-K109 IonicContact OE1-NZ 3.35Å; E91-K109 IonicContact OE2-NZ 2.66Å; E91-K109 PolarHBondContact OE2-NZ 3.39Å
110K95.9Very high96.2Very high54 Ų5433.3 Ų33.324%0.23517%0.168CC..EExtended strand (participates in β ladder)trans-110.5152.1173.9-60.7-63179.6-170.40110.6C102 V103 E108 F112C102-K110 WeakPolarHBondContact CA-O 3.35Å; V103-K110 HydrophobicContact CG2-CB 4.32Å; V103-K110 PolarHBondContact N-O 3.26Å; V103-K110 PolarHBondContact O-N 3.13Å; E108-K110 PolarHBondContact O-N 3.45Å; E108-K110 WeakPolarHBondContact OE2-CE 3.4Å; E108-K110 IonicContact OE2-NZ 3.5Å; E108-K110 PolarHBondContact OE2-NZ 3.01Å; K110-F112 HydrophobicContact CB-CD2 4.29Å; K110-F112 HydrophobicContact CB-CE2 3.53Å; K110-F112 HydrophobicContact CB-CZ 3.85Å; K110-F112 HydrophobicContact CG-CE2 4.39Å; K110-F112 HydrophobicContact CG-CZ 4.35Å
111M96.3Very high96.4Very high87 Ų8732.5 Ų32.543%0.42917%0.165SC..EExtended strand (participates in β ladder)trans-126.7114.5178.8-69.4-177.2-178.900109.4V95 K100 I101V95-M111 HydrophobicContact CG2-SD 3.76Å; K100-M111 HydrophobicContact CB-CB 4.26Å; I101-M111 WeakPolarHBondContact O-CA 3.36Å
112F96.6Very high96.4Very high2 Ų232.5 Ų32.51%0.00917%0.165CC..EExtended strand (participates in β ladder)trans-109.7145.3-179.8-62.5-75.8000110.6F42 K100 I101 V103 K110 E116 I117 M120 Y523F42-F112 AromaticContact CD1-CE2 3.97Å; F42-F112 HydrophobicContact CD1-CE2 3.97Å; F42-F112 HydrophobicContact CD1-CZ 4.28Å; F42-F112 HydrophobicContact CE1-CD2 4.12Å; F42-F112 HydrophobicContact CE1-CE1 4.39Å; F42-F112 AromaticContact CE1-CE2 3.36Å; F42-F112 HydrophobicContact CE1-CE2 3.36Å; F42-F112 AromaticContact CE1-CZ 3.53Å; F42-F112 HydrophobicContact CE1-CZ 3.53Å; F42-F112 HydrophobicContact CE2-CD2 4.27Å; F42-F112 HydrophobicContact CE2-CE2 4.19Å; F42-F112 AromaticContact CZ-CD2 3.75Å; F42-F112 HydrophobicContact CZ-CD2 3.75Å; F42-F112 AromaticContact CZ-CE2 3.48Å; F42-F112 HydrophobicContact CZ-CE2 3.48Å; F42-F112 VanDerWaalsContact CZ-CE2 3.48Å; F42-F112 HydrophobicContact CZ-CG 4.43Å; F42-F112 AromaticContact CZ-CZ 3.97Å; F42-F112 HydrophobicContact CZ-CZ 3.97Å; K100-F112 CarbonylContact C-O 3.58Å; K100-F112 WeakPolarHBondContact CA-O 3.5Å; I101-F112 PolarHBondContact N-O 2.89Å; I101-F112 PolarHBondContact O-N 3.32Å; V103-F112 HydrophobicContact CG2-CD2 3.69Å; V103-F112 HydrophobicContact CG2-CE2 3.51Å; K110-F112 HydrophobicContact CB-CD2 4.29Å; K110-F112 HydrophobicContact CB-CE2 3.53Å; K110-F112 HydrophobicContact CB-CZ 3.85Å; K110-F112 HydrophobicContact CG-CE2 4.39Å; K110-F112 HydrophobicContact CG-CZ 4.35Å; F112-E116 HydrophobicContact CB-CB 4.21Å; F112-E116 HydrophobicContact CD1-CB 4.17Å; F112-I117 HydrophobicContact CB-CD1 3.75Å; F112-I117 HydrophobicContact CB-CG1 3.99Å; F112-I117 HydrophobicContact CD2-CD1 4.19Å; F112-I117 HydrophobicContact CG-CD1 4.02Å; F112-M120 HydrophobicContact CD1-CE 3.84Å; F112-M120 HydrophobicContact CE1-CE 3.8Å; F112-M120 HydrophobicContact CG-CE 4.47Å; F112-M120 HydrophobicContact CZ-CE 4.39Å; F112-Y523 AromaticContact CE1-CE2 3.87Å; F112-Y523 HydrophobicContact CE1-CE2 3.87Å; F112-Y523 HydrophobicContact CZ-CE2 4.42Å
113S95.4Very high96.4Very high3 Ų333.4 Ų33.42%0.02117%0.171CC..  trans-73.6164163.158.80000110.8E115 E116 I117S113-E115 VanDerWaalsContact CB-OE2 3.31Å; S113-E115 WeakPolarHBondContact CB-OE2 3.02Å; S113-E115 PolarHBondContact O-N 3.4Å; S113-E116 VanDerWaalsContact CB-OE2 3.32Å; S113-E116 WeakPolarHBondContact CB-OE2 3.34Å; S113-E116 PolarHBondContact N-OE2 3.5Å; S113-E116 PolarHBondContact O-N 2.77Å; S113-E116 WeakPolarHBondContact OG-CB 3.45Å; S113-E116 VanDerWaalsContact OG-CG 3.23Å; S113-E116 WeakPolarHBondContact OG-CG 3.25Å; S113-E116 PolarHBondContact OG-N 2.92Å; S113-E116 VanDerWaalsContact OG-N 3.11Å; S113-E116 PolarHBondContact OG-OE2 3.41Å; S113-I117 PolarHBondContact O-N 2.86Å; S113-I117 VanDerWaalsContact O-N 3.16Å
114A95.8Very high96.4Very high1 Ų134.6 Ų34.61%0.00818%0.175CC..Hα-helixtrans-65.3-31.3174.200000111.4L71 I72 I117 S118L71-A114 HydrophobicContact CB-CB 3.65Å; I72-A114 HydrophobicContact CB-CB 4.38Å; A114-I117 PolarHBondContact O-N 3.33Å; A114-S118 VanDerWaalsContact O-CB 3.26Å; A114-S118 WeakPolarHBondContact O-CB 3.41Å; A114-S118 PolarHBondContact O-N 2.99Å; A114-S118 PolarHBondContact O-OG 3.35Å
115E95.8Very high96.4Very high13 Ų1330.1 Ų30.16%0.06115%0.154CC..Hα-helixtrans-63.8-44.9173.7-63.684.8165.400111.2I72 S113 S118 S119 A155 A159 I162 L508I72-E115 HydrophobicContact CG1-CG 4.27Å; S113-E115 VanDerWaalsContact CB-OE2 3.31Å; S113-E115 WeakPolarHBondContact CB-OE2 3.02Å; S113-E115 PolarHBondContact O-N 3.4Å; E115-S118 PolarHBondContact O-N 3.32Å; E115-S119 VanDerWaalsContact O-CB 3.29Å; E115-S119 WeakPolarHBondContact O-CB 3.37Å; E115-S119 PolarHBondContact O-N 3.05Å; E115-A155 HydrophobicContact CG-CB 3.79Å; E115-A155 WeakPolarHBondContact CG-O 3.45Å; E115-A155 VanDerWaalsContact OE1-CB 3.27Å; E115-A155 WeakPolarHBondContact OE1-CB 3.44Å; E115-A159 HydrophobicContact CB-CB 4.36Å; E115-A159 WeakPolarHBondContact O-CB 3.29Å; E115-I162 HydrophobicContact CB-CD1 4.24Å; E115-L508 HydrophobicContact CB-CD1 3.96Å; E115-L508 HydrophobicContact CG-CD1 4.19Å
116E96.4Very high96.5Very high15 Ų1531 Ų317%0.0716%0.158CC..Hα-helixtrans-61.1-47.1174.5-76.9164.1104.400111.2K100 F112 S113 S118 S119 M120 M516K100-E116 IonicContact NZ-OE2 2.58Å; K100-E116 PolarHBondContact NZ-OE2 3.32Å; F112-E116 HydrophobicContact CB-CB 4.21Å; F112-E116 HydrophobicContact CD1-CB 4.17Å; S113-E116 VanDerWaalsContact CB-OE2 3.32Å; S113-E116 WeakPolarHBondContact CB-OE2 3.34Å; S113-E116 PolarHBondContact N-OE2 3.5Å; S113-E116 PolarHBondContact O-N 2.77Å; S113-E116 WeakPolarHBondContact OG-CB 3.45Å; S113-E116 VanDerWaalsContact OG-CG 3.23Å; S113-E116 WeakPolarHBondContact OG-CG 3.25Å; S113-E116 PolarHBondContact OG-N 2.92Å; S113-E116 VanDerWaalsContact OG-N 3.11Å; S113-E116 PolarHBondContact OG-OE2 3.41Å; E116-S118 PolarHBondContact O-N 2.86Å; E116-S119 PolarHBondContact O-N 3.23Å; E116-S119 PolarHBondContact O-OG 3.4Å; E116-M120 WeakPolarHBondContact O-CG 3.3Å; E116-M120 PolarHBondContact O-N 3.36Å; E116-M516 HydrophobicContact CG-CB 4.34Å; E116-M516 HydrophobicContact CG-CE 4.06Å; E116-M516 HydrophobicContact CG-CG 3.79Å; E116-M516 HydrophobicContact CG-SD 3.56Å; E116-M516 VanDerWaalsContact CG-SD 3.56Å; E116-M516 WeakPolarHBondContact OE2-CE 3.31Å
117I98.1Very high96.7Very high2 Ų230.2 Ų30.21%0.0116%0.156CC..Hα-helixtrans-62.9-43.7177-60.9-58.5000111.3V40 F42 V65 A68 I101 F112 S113 A114 S119 M120 V121V40-I117 HydrophobicContact CB-CG2 4.19Å; V40-I117 HydrophobicContact CG2-CG2 3.87Å; F42-I117 HydrophobicContact CE2-CD1 3.78Å; F42-I117 HydrophobicContact CZ-CD1 3.66Å; V65-I117 HydrophobicContact CB-CG2 4.23Å; V65-I117 HydrophobicContact CG1-CG1 4.29Å; V65-I117 HydrophobicContact CG1-CG2 3.88Å; V65-I117 HydrophobicContact CG2-CD1 4.31Å; A68-I117 HydrophobicContact CB-CB 4.04Å; A68-I117 HydrophobicContact CB-CG2 3.54Å; I101-I117 HydrophobicContact CD1-CG1 3.79Å; F112-I117 HydrophobicContact CB-CD1 3.75Å; F112-I117 HydrophobicContact CB-CG1 3.99Å; F112-I117 HydrophobicContact CD2-CD1 4.19Å; F112-I117 HydrophobicContact CG-CD1 4.02Å; S113-I117 PolarHBondContact O-N 2.86Å; S113-I117 VanDerWaalsContact O-N 3.16Å; A114-I117 PolarHBondContact O-N 3.33Å; I117-S119 VanDerWaalsContact C-N 3.31Å; I117-S119 PolarHBondContact O-N 3.35Å; I117-M120 HydrophobicContact CD1-CE 4.38Å; I117-M120 HydrophobicContact CD1-SD 4.39Å; I117-M120 WeakPolarHBondContact O-CB 3.48Å; I117-M120 PolarHBondContact O-N 2.88Å; I117-V121 PolarHBondContact O-N 3.25Å
118S98.1Very high97Very high3 Ų328.2 Ų28.22%0.02113%0.134CC..Hα-helixtrans-64.5-36.5178.1-59.10000111.7A114 E115 E116 M120 V121 L122A114-S118 VanDerWaalsContact O-CB 3.26Å; A114-S118 WeakPolarHBondContact O-CB 3.41Å; A114-S118 PolarHBondContact O-N 2.99Å; A114-S118 PolarHBondContact O-OG 3.35Å; E115-S118 PolarHBondContact O-N 3.32Å; E116-S118 PolarHBondContact O-N 2.86Å; S118-M120 VanDerWaalsContact C-N 3.27Å; S118-M120 PolarHBondContact O-N 2.94Å; S118-V121 PolarHBondContact O-N 3.16Å; S118-L122 WeakPolarHBondContact O-CG 3.37Å; S118-L122 PolarHBondContact O-N 3.46Å
119S97.7Very high97.1Very high4 Ų422.9 Ų22.93%0.02811%0.109CC..Hα-helixtrans-63.6-31.6175.778.80000112.7E115 E116 I117 L122 T123 A159 I162 A163E115-S119 VanDerWaalsContact O-CB 3.29Å; E115-S119 WeakPolarHBondContact O-CB 3.37Å; E115-S119 PolarHBondContact O-N 3.05Å; E116-S119 PolarHBondContact O-N 3.23Å; E116-S119 PolarHBondContact O-OG 3.4Å; I117-S119 VanDerWaalsContact C-N 3.31Å; I117-S119 PolarHBondContact O-N 3.35Å; S119-L122 PolarHBondContact O-N 3.41Å; S119-T123 WeakPolarHBondContact O-CB 3.38Å; S119-T123 PolarHBondContact O-N 2.63Å; S119-T123 PolarHBondContact O-OG1 3.21Å; S119-A159 WeakPolarHBondContact CB-O 3.4Å; S119-I162 VanDerWaalsContact OG-CG2 3.23Å; S119-I162 WeakPolarHBondContact OG-CG2 3.42Å; S119-A163 WeakPolarHBondContact O-CB 3.41Å
120M98.2Very high97.1Very high9 Ų918.8 Ų18.84%0.0449%0.091CC..Hα-helixtrans-67.4-41.4174.8-63.3175.2-159.200110.4V40 F42 R47 I49 F112 E116 I117 S118 T123 K124V40-M120 HydrophobicContact CG1-CB 4.43Å; V40-M120 HydrophobicContact CG1-SD 3.62Å; V40-M120 HydrophobicContact CG2-CB 4.05Å; F42-M120 HydrophobicContact CE1-CE 4.22Å; F42-M120 HydrophobicContact CE1-SD 4.17Å; F42-M120 HydrophobicContact CZ-CE 4.01Å; F42-M120 HydrophobicContact CZ-SD 3.82Å; R47-M120 PolarHBondContact NH1-SD 2.72Å; I49-M120 HydrophobicContact CD1-CB 3.93Å; I49-M120 HydrophobicContact CG1-CB 4.5Å; F112-M120 HydrophobicContact CD1-CE 3.84Å; F112-M120 HydrophobicContact CE1-CE 3.8Å; F112-M120 HydrophobicContact CG-CE 4.47Å; F112-M120 HydrophobicContact CZ-CE 4.39Å; E116-M120 WeakPolarHBondContact O-CG 3.3Å; E116-M120 PolarHBondContact O-N 3.36Å; I117-M120 HydrophobicContact CD1-CE 4.38Å; I117-M120 HydrophobicContact CD1-SD 4.39Å; I117-M120 WeakPolarHBondContact O-CB 3.48Å; I117-M120 PolarHBondContact O-N 2.88Å; S118-M120 VanDerWaalsContact C-N 3.27Å; S118-M120 PolarHBondContact O-N 2.94Å; M120-T123 WeakPolarHBondContact O-CB 3.44Å; M120-T123 PolarHBondContact O-N 2.99Å; M120-K124 PolarHBondContact O-N 3.21Å
121V98.5Very high97.1Very high5 Ų521.2 Ų21.23%0.0312%0.115CC..Hα-helixtrans-63.6-43.9173.5-1780000111L9 S14 V40 I117 S118 T123 K124 M125L9-V121 HydrophobicContact CD1-CB 4.13Å; L9-V121 HydrophobicContact CD1-CG1 3.92Å; S14-V121 VanDerWaalsContact OG-CG1 3.29Å; S14-V121 WeakPolarHBondContact OG-CG1 3.48Å; V40-V121 HydrophobicContact CG2-CG2 3.88Å; I117-V121 PolarHBondContact O-N 3.25Å; S118-V121 PolarHBondContact O-N 3.16Å; V121-T123 VanDerWaalsContact C-N 3.31Å; V121-T123 PolarHBondContact O-N 3.35Å; V121-K124 WeakPolarHBondContact O-CB 3.49Å; V121-K124 PolarHBondContact O-N 3.32Å; V121-M125 WeakPolarHBondContact O-CG 3.4Å; V121-M125 PolarHBondContact O-N 2.8Å
122L98.5Very high97.1Very high0 Ų022.1 Ų22.10%012%0.115CC..Hα-helixtrans-62.3-37.9175.3-68.6173.1000112.4I7 L9 S118 S119 K124 M125 K126 I142 A159 A163 L165I7-L122 HydrophobicContact CD1-CD2 4Å; I7-L122 HydrophobicContact CG2-CD2 3.84Å; L9-L122 HydrophobicContact CB-CD2 4.28Å; L9-L122 HydrophobicContact CD1-CD2 4.07Å; L9-L122 HydrophobicContact CD1-CG 4.18Å; L9-L122 HydrophobicContact CD2-CD1 4.37Å; L9-L122 HydrophobicContact CD2-CD2 4.27Å; L9-L122 HydrophobicContact CD2-CG 4.34Å; L9-L122 HydrophobicContact CG-CD2 4.44Å; S118-L122 WeakPolarHBondContact O-CG 3.37Å; S118-L122 PolarHBondContact O-N 3.46Å; S119-L122 PolarHBondContact O-N 3.41Å; L122-K124 VanDerWaalsContact C-N 3.33Å; L122-M125 PolarHBondContact O-N 2.99Å; L122-K126 WeakPolarHBondContact O-CB 3.44Å; L122-K126 PolarHBondContact O-N 2.98Å; L122-I142 HydrophobicContact CD1-CD1 3.9Å; L122-I142 HydrophobicContact CD2-CD1 3.94Å; L122-I142 HydrophobicContact CD2-CG1 4.41Å; L122-I142 HydrophobicContact CD2-CG2 4.39Å; L122-A159 HydrophobicContact CD1-CB 3.97Å; L122-A163 HydrophobicContact CB-CB 3.73Å; L122-L165 HydrophobicContact CB-CD1 4.37Å
123T97.1Very high97.1Very high26 Ų2623.4 Ų23.416%0.1612%0.121CC..Hα-helixtrans-61.5-43.9174.2-59.20000110.3S119 M120 V121 M125 K126 E127S119-T123 WeakPolarHBondContact O-CB 3.38Å; S119-T123 PolarHBondContact O-N 2.63Å; S119-T123 PolarHBondContact O-OG1 3.21Å; M120-T123 WeakPolarHBondContact O-CB 3.44Å; M120-T123 PolarHBondContact O-N 2.99Å; V121-T123 VanDerWaalsContact C-N 3.31Å; V121-T123 PolarHBondContact O-N 3.35Å; T123-M125 VanDerWaalsContact C-N 3.34Å; T123-M125 PolarHBondContact O-N 2.88Å; T123-K126 WeakPolarHBondContact O-CB 3.4Å; T123-K126 PolarHBondContact O-N 2.89Å; T123-E127 WeakPolarHBondContact O-CG 3.22Å; T123-E127 PolarHBondContact O-N 3.48Å
124K97.6Very high97Very high29 Ų2926.6 Ų26.613%0.12616%0.155CC..Hα-helixtrans-61.9-39.9174.2-177.261.7176.8-178.50112.2D30 T36 I49 M120 V121 L122 K126 E127 V128D30-K124 VanDerWaalsContact CG-NZ 3.32Å; D30-K124 VanDerWaalsContact OD1-CE 3.24Å; D30-K124 WeakPolarHBondContact OD1-CE 3.45Å; D30-K124 IonicContact OD1-NZ 3.64Å; D30-K124 PolarHBondContact OD1-NZ 3.34Å; D30-K124 IonicContact OD2-NZ 3.05Å; T36-K124 HydrophobicContact CG2-CG 4.36Å; I49-K124 HydrophobicContact CB-CB 4.3Å; I49-K124 HydrophobicContact CB-CG 4.45Å; I49-K124 HydrophobicContact CG2-CB 3.65Å; I49-K124 HydrophobicContact CG2-CG 4Å; M120-K124 PolarHBondContact O-N 3.21Å; V121-K124 WeakPolarHBondContact O-CB 3.49Å; V121-K124 PolarHBondContact O-N 3.32Å; L122-K124 VanDerWaalsContact C-N 3.33Å; K124-K126 VanDerWaalsContact C-N 3.34Å; K124-E127 PolarHBondContact O-N 3.22Å; K124-V128 VanDerWaalsContact O-CG2 3.29Å; K124-V128 WeakPolarHBondContact O-CG2 3.25Å; K124-V128 PolarHBondContact O-N 3.36Å
125M98.4Very high96.9Very high1 Ų131.4 Ų31.41%0.00517%0.173CC..Hα-helixtrans-65-40176.4-66.2-57.392.400111.8I7 V16 T36 V121 L122 T123 V128 A129I7-M125 HydrophobicContact CD1-CB 4.1Å; I7-M125 HydrophobicContact CG1-CB 4.34Å; I7-M125 HydrophobicContact CG2-CB 4.17Å; I7-M125 HydrophobicContact CG2-CG 3.93Å; V16-M125 HydrophobicContact CB-CB 4.19Å; V16-M125 HydrophobicContact CB-SD 4.12Å; V16-M125 HydrophobicContact CG1-CB 4.49Å; V16-M125 HydrophobicContact CG1-SD 4.07Å; T36-M125 VanDerWaalsContact CB-CE 3.4Å; T36-M125 HydrophobicContact CG2-CE 3.67Å; T36-M125 WeakPolarHBondContact OG1-CE 3.4Å; V121-M125 WeakPolarHBondContact O-CG 3.4Å; V121-M125 PolarHBondContact O-N 2.8Å; L122-M125 PolarHBondContact O-N 2.99Å; T123-M125 VanDerWaalsContact C-N 3.34Å; T123-M125 PolarHBondContact O-N 2.88Å; M125-V128 PolarHBondContact O-N 2.94Å; M125-A129 PolarHBondContact O-N 2.98Å
126K97.3Very high96.9Very high24 Ų2435.9 Ų35.910%0.10420%0.202CC..Hα-helixtrans-59.8-49.9171.7173.7179.2175.8165.60111.2L122 T123 K124 V128 A129 E130 V137 G164 L165L122-K126 WeakPolarHBondContact O-CB 3.44Å; L122-K126 PolarHBondContact O-N 2.98Å; T123-K126 WeakPolarHBondContact O-CB 3.4Å; T123-K126 PolarHBondContact O-N 2.89Å; K124-K126 VanDerWaalsContact C-N 3.34Å; K126-V128 VanDerWaalsContact C-N 3.33Å; K126-V128 PolarHBondContact O-N 3.32Å; K126-A129 PolarHBondContact O-N 2.89Å; K126-A129 VanDerWaalsContact O-N 3.14Å; K126-E130 WeakPolarHBondContact CE-OE1 3.44Å; K126-E130 HydrophobicContact CG-CG 4.17Å; K126-E130 WeakPolarHBondContact O-CB 3.31Å; K126-E130 VanDerWaalsContact O-CG 3.28Å; K126-E130 WeakPolarHBondContact O-CG 3.47Å; K126-E130 PolarHBondContact O-N 3.11Å; K126-V137 WeakPolarHBondContact CE-O 3.34Å; K126-V137 HydrophobicContact CG-CB 4.45Å; K126-V137 PolarHBondContact NZ-O 3.43Å; K126-G164 PolarHBondContact NZ-O 2.98Å; K126-L165 HydrophobicContact CB-CD2 4.35Å; K126-L165 HydrophobicContact CD-CD2 3.89Å; K126-L165 HydrophobicContact CD-CG 4.33Å; K126-L165 HydrophobicContact CG-CD2 4.25Å
127E95.9Very high96.8Very high70 Ų7035.3 Ų35.333%0.32720%0.199SC..Hα-helixtrans-58.8-42.1178.2-72.8171176.800112.8T123 K124 A129 E130 S131T123-E127 WeakPolarHBondContact O-CG 3.22Å; T123-E127 PolarHBondContact O-N 3.48Å; K124-E127 PolarHBondContact O-N 3.22Å; E127-A129 VanDerWaalsContact C-N 3.33Å; E127-A129 PolarHBondContact O-N 3.2Å; E127-E130 PolarHBondContact O-N 3.09Å; E127-S131 VanDerWaalsContact O-CB 3.3Å; E127-S131 WeakPolarHBondContact O-CB 3.29Å; E127-S131 PolarHBondContact O-N 2.86Å
128V97.9Very high96.7Very high10 Ų1037.5 Ų37.56%0.06121%0.214CC..Hα-helixtrans-59.6-45.9175.5167.80000110.4V16 I27 N29 K124 M125 K126 Y132V16-V128 HydrophobicContact CG1-CB 4.26Å; V16-V128 HydrophobicContact CG1-CG1 3.82Å; I27-V128 HydrophobicContact CB-CG1 4.12Å; I27-V128 HydrophobicContact CG2-CG1 3.63Å; N29-V128 HydrophobicContact CB-CG1 4.47Å; N29-V128 HydrophobicContact CB-CG2 3.82Å; K124-V128 VanDerWaalsContact O-CG2 3.29Å; K124-V128 WeakPolarHBondContact O-CG2 3.25Å; K124-V128 PolarHBondContact O-N 3.36Å; M125-V128 PolarHBondContact O-N 2.94Å; K126-V128 VanDerWaalsContact C-N 3.33Å; K126-V128 PolarHBondContact O-N 3.32Å; V128-Y132 PolarHBondContact O-N 3.06Å
129A97.7Very high96.7Very high0 Ų038.7 Ų38.70%022%0.221CC..Hα-helixtrans-67.4-40.7176.800000113.3I5 V16 I27 M125 K126 E127 Y132 L133 V137I5-A129 HydrophobicContact CD1-CB 4.09Å; I5-A129 HydrophobicContact CG2-CB 3.85Å; V16-A129 HydrophobicContact CG2-CB 4.18Å; I27-A129 HydrophobicContact CD1-CB 3.86Å; M125-A129 PolarHBondContact O-N 2.98Å; K126-A129 PolarHBondContact O-N 2.89Å; K126-A129 VanDerWaalsContact O-N 3.14Å; E127-A129 VanDerWaalsContact C-N 3.33Å; E127-A129 PolarHBondContact O-N 3.2Å; A129-Y132 PolarHBondContact O-N 2.87Å; A129-L133 VanDerWaalsContact O-CB 3.31Å; A129-L133 WeakPolarHBondContact O-CB 3.44Å; A129-L133 VanDerWaalsContact O-CG 3.25Å; A129-L133 WeakPolarHBondContact O-CG 3.24Å; A129-L133 PolarHBondContact O-N 3.33Å; A129-V137 HydrophobicContact CB-CG2 4.26Å
130E96.4Very high96.7Very high36 Ų3638.5 Ų38.517%0.16822%0.219CC..Hα-helixtrans-64.4-41.1178.4-72.5-177.7158.100111.8K126 E127 Y132 L133 G134 R135 T136 V137K126-E130 WeakPolarHBondContact CE-OE1 3.44Å; K126-E130 HydrophobicContact CG-CG 4.17Å; K126-E130 WeakPolarHBondContact O-CB 3.31Å; K126-E130 VanDerWaalsContact O-CG 3.28Å; K126-E130 WeakPolarHBondContact O-CG 3.47Å; K126-E130 PolarHBondContact O-N 3.11Å; E127-E130 PolarHBondContact O-N 3.09Å; E130-Y132 VanDerWaalsContact C-N 3.33Å; E130-Y132 PolarHBondContact O-N 2.84Å; E130-L133 PolarHBondContact O-N 3.43Å; E130-G134 WeakPolarHBondContact O-CA 3.44Å; E130-G134 PolarHBondContact O-N 3.21Å; E130-R135 WeakPolarHBondContact CA-O 3.46Å; E130-R135 WeakPolarHBondContact CG-O 3.24Å; E130-R135 PolarHBondContact O-N 3.19Å; E130-T136 VanDerWaalsContact OE1-CA 3.29Å; E130-T136 WeakPolarHBondContact OE1-CA 3.36Å; E130-T136 WeakPolarHBondContact OE1-CG2 3.44Å; E130-V137 HydrophobicContact CG-CB 3.94Å; E130-V137 HydrophobicContact CG-CG2 3.78Å; E130-V137 PolarHBondContact OE1-N 2.93Å
131S95.8Very high96.7Very high106 Ų10638.1 Ų38.174%0.74122%0.217SC*.Hα-helixtrans-59.4-44.5174.8-175.80000111.5E127E127-S131 VanDerWaalsContact O-CB 3.3Å; E127-S131 WeakPolarHBondContact O-CB 3.29Å; E127-S131 PolarHBondContact O-N 2.86Å
132Y96.4Very high96.7Very high105 Ų10537.9 Ų37.941%0.41222%0.216SC..Hα-helixtrans-69.5-42.1177.7177.5-99.7000113.2V18 Q20 I27 V128 A129 E130V18-Y132 HydrophobicContact CG1-CD1 4.35Å; V18-Y132 HydrophobicContact CG1-CE1 4.02Å; Q20-Y132 PolarHBondContact NE2-OH 3.48Å; I27-Y132 HydrophobicContact CD1-CD1 3.81Å; I27-Y132 HydrophobicContact CD1-CG 4.19Å; I27-Y132 HydrophobicContact CG1-CD1 4.06Å; I27-Y132 HydrophobicContact CG1-CE1 4.49Å; I27-Y132 HydrophobicContact CG1-CG 4.25Å; I27-Y132 VanDerWaalsContact CG2-CB 3.48Å; I27-Y132 HydrophobicContact CG2-CD1 4.4Å; I27-Y132 HydrophobicContact CG2-CD2 4.1Å; I27-Y132 HydrophobicContact CG2-CG 3.76Å; V128-Y132 PolarHBondContact O-N 3.06Å; A129-Y132 PolarHBondContact O-N 2.87Å; E130-Y132 VanDerWaalsContact C-N 3.33Å; E130-Y132 PolarHBondContact O-N 2.84Å
133L95.3Very high96.7Very high29 Ų2937.9 Ų37.915%0.15222%0.216CC..Hα-helixtrans-82.7-16.1-176.2-67.4171.6000113.6N3 V18 A129 E130 R135 V137N3-L133 HydrophobicContact CB-CD1 4.33Å; V18-L133 HydrophobicContact CG1-CD2 4.33Å; V18-L133 HydrophobicContact CG2-CD1 4.36Å; V18-L133 HydrophobicContact CG2-CD2 4.26Å; A129-L133 VanDerWaalsContact O-CB 3.31Å; A129-L133 WeakPolarHBondContact O-CB 3.44Å; A129-L133 VanDerWaalsContact O-CG 3.25Å; A129-L133 WeakPolarHBondContact O-CG 3.24Å; A129-L133 PolarHBondContact O-N 3.33Å; E130-L133 PolarHBondContact O-N 3.43Å; L133-R135 VanDerWaalsContact C-N 3.29Å; L133-R135 HydrophobicContact CB-CG 4.06Å; L133-R135 PolarHBondContact O-N 3.22Å; L133-V137 HydrophobicContact CD1-CG2 3.7Å
134G94.7Very high96.6Very high71 Ų7136.6 Ų36.673%0.73221%0.208SC*.THydrogen-bonded Turntrans68.323-177.100000114.4E130E130-G134 WeakPolarHBondContact O-CA 3.44Å; E130-G134 PolarHBondContact O-N 3.21Å
135R94.1Very high96.4Very high101 Ų10135.2 Ų35.238%0.38120%0.202SC..SBendtrans-160.8161.1-176.462.2-172.1170.4159.53.8111.7M1 N3 E130 L133M1-R135 VanDerWaalsContact O-CZ 3.32Å; M1-R135 PolarHBondContact O-NH1 2.82Å; M1-R135 PolarHBondContact O-NH2 3.36Å; N3-R135 PolarHBondContact ND2-NH2 2.94Å; N3-R135 PolarHBondContact OD1-NH2 3.09Å; E130-R135 WeakPolarHBondContact CA-O 3.46Å; E130-R135 WeakPolarHBondContact CG-O 3.24Å; E130-R135 PolarHBondContact O-N 3.19Å; L133-R135 VanDerWaalsContact C-N 3.29Å; L133-R135 HydrophobicContact CB-CG 4.06Å; L133-R135 PolarHBondContact O-N 3.22Å
136T94Very high96Very high108 Ų10835.2 Ų35.266%0.66320%0.202SC*.  trans-62.4138.7177.4-53.70000112.6E130E130-T136 VanDerWaalsContact OE1-CA 3.29Å; E130-T136 WeakPolarHBondContact OE1-CA 3.36Å; E130-T136 WeakPolarHBondContact OE1-CG2 3.44Å
137V95.9Very high95.3Very high2 Ų235.6 Ų35.61%0.01220%0.203CC..  trans-109.6121.7175.7175.60000109.3I5 K126 A129 E130 L133 L165I5-V137 HydrophobicContact CB-CG1 4.41Å; I5-V137 HydrophobicContact CD1-CG1 3.76Å; I5-V137 HydrophobicContact CG1-CG1 3.75Å; I5-V137 HydrophobicContact CG2-CG1 3.87Å; I5-V137 HydrophobicContact CG2-CG2 4.39Å; K126-V137 WeakPolarHBondContact CE-O 3.34Å; K126-V137 HydrophobicContact CG-CB 4.45Å; K126-V137 PolarHBondContact NZ-O 3.43Å; A129-V137 HydrophobicContact CB-CG2 4.26Å; E130-V137 HydrophobicContact CG-CB 3.94Å; E130-V137 HydrophobicContact CG-CG2 3.78Å; E130-V137 PolarHBondContact OE1-N 2.93Å; L133-V137 HydrophobicContact CD1-CG2 3.7Å; V137-L165 HydrophobicContact CG1-CD2 4.47Å
138S95.4Very high94.9Very high48 Ų4832.5 Ų32.534%0.33619%0.189SC..  trans-104.5-32.4-17945.10000113.5L165 N166S138-L165 CarbonylContact O-C 3.57Å; S138-L165 WeakPolarHBondContact O-CA 3.46Å; S138-N166 PolarHBondContact O-N 3.39Å
139D97.7Very high94.1Very high29 Ų2932.7 Ų32.716%0.15519%0.189CC..EExtended strand (participates in β ladder)trans-114.4137.8-165.7-59.6-74.5000111A4 I5 N166 L168A4-D139 WeakPolarHBondContact CA-O 3.37Å; A4-D139 HydrophobicContact CB-CB 3.75Å; I5-D139 PolarHBondContact N-O 2.8Å; D139-N166 WeakPolarHBondContact CA-O 3.49Å; D139-N166 WeakPolarHBondContact OD1-CB 3.13Å; D139-N166 PolarHBondContact OD1-ND2 3.42Å; D139-L168 HydrophobicContact CB-CD1 3.94Å; D139-L168 HydrophobicContact CB-CD2 4.26Å; D139-L168 HydrophobicContact CB-CG 4.03Å
140A98.4Very high93.4Very high0 Ų033.2 Ų33.20%019%0.192CC..EExtended strand (participates in β ladder)trans-144.1149.5-179.800000113.1I5 I7 I142 L165 N166 V167 L168I5-A140 HydrophobicContact CG1-CB 3.93Å; I5-A140 CarbonylContact O-C 3.25Å; I5-A140 VanDerWaalsContact O-CA 3.25Å; I5-A140 WeakPolarHBondContact O-CA 3.47Å; I7-A140 HydrophobicContact CD1-CB 4.17Å; A140-I142 HydrophobicContact CB-CG1 4.39Å; A140-L165 HydrophobicContact CB-CB 4.37Å; A140-L165 HydrophobicContact CB-CD1 4.1Å; A140-L165 HydrophobicContact CB-CD2 4.19Å; A140-L165 HydrophobicContact CB-CG 4.46Å; A140-N166 PolarHBondContact N-O 3.07Å; A140-V167 CarbonylContact O-C 3.55Å; A140-V167 WeakPolarHBondContact O-CA 3.36Å; A140-L168 PolarHBondContact O-N 2.88Å
141V98.4Very high92.9Very high0 Ų032.3 Ų32.30%019%0.19CC..EExtended strand (participates in β ladder)trans-104.6128158.9173.30000107.3I5 I7 L168 R169 I171 A371 Q374 A375 L378I5-V141 PolarHBondContact O-N 3.31Å; I7-V141 PolarHBondContact N-O 3.45Å; V141-L168 HydrophobicContact CG2-CB 4.28Å; V141-R169 WeakPolarHBondContact CA-O 3.42Å; V141-R169 HydrophobicContact CG2-CB 4.25Å; V141-I171 HydrophobicContact CG1-CB 4.23Å; V141-I171 HydrophobicContact CG1-CG2 3.6Å; V141-A371 HydrophobicContact CG1-CB 4.29Å; V141-Q374 HydrophobicContact CG1-CB 4.27Å; V141-Q374 HydrophobicContact CG1-CG 4.19Å; V141-Q374 HydrophobicContact CG2-CG 4.29Å; V141-A375 HydrophobicContact CB-CB 4.13Å; V141-A375 HydrophobicContact CG2-CB 3.77Å; V141-L378 HydrophobicContact CG2-CD1 3.88Å
142I98.6Very high92.6Very high0 Ų027.4 Ų27.40%016%0.155CC..EExtended strand (participates in β ladder)trans-115.8135.5-178-55.6174.7000108.6I7 L9 L122 A140 T156 V167 R169 I170 I171I7-I142 WeakPolarHBondContact O-CA 3.24Å; L9-I142 HydrophobicContact CB-CG2 4.03Å; L122-I142 HydrophobicContact CD1-CD1 3.9Å; L122-I142 HydrophobicContact CD2-CD1 3.94Å; L122-I142 HydrophobicContact CD2-CG1 4.41Å; L122-I142 HydrophobicContact CD2-CG2 4.39Å; A140-I142 HydrophobicContact CB-CG1 4.39Å; I142-T156 HydrophobicContact CG2-CG2 3.72Å; I142-V167 HydrophobicContact CD1-CG1 4.33Å; I142-V167 HydrophobicContact CD1-CG2 3.77Å; I142-V167 HydrophobicContact CG1-CG1 4.45Å; I142-R169 PolarHBondContact N-O 2.72Å; I142-I170 HydrophobicContact CB-CD1 4.07Å; I142-I170 WeakPolarHBondContact O-CA 3.44Å; I142-I171 PolarHBondContact O-N 3.13Å; I142-I171 VanDerWaalsContact O-N 3.11Å
143T97.8Very high92.4Very high0 Ų022.8 Ų22.80%014%0.137CC..EExtended strand (participates in β ladder)trans-88.2152.5179.167.20000112.8I7 D8 I171 A176 V367 A371I7-T143 PolarHBondContact O-N 3.44Å; D8-T143 WeakPolarHBondContact CA-OG1 3.43Å; D8-T143 PolarHBondContact OD1-OG1 3.27Å; T143-I171 CarbonylContact C-O 3.51Å; T143-I171 VanDerWaalsContact CA-O 3.23Å; T143-I171 WeakPolarHBondContact CA-O 3.29Å; T143-I171 HydrophobicContact CG2-CG2 3.68Å; T143-A176 HydrophobicContact CG2-CB 4.14Å; T143-V367 HydrophobicContact CG2-CG1 3.42Å; T143-V367 VanDerWaalsContact CG2-CG1 3.42Å; T143-V367 WeakPolarHBondContact OG1-CG1 3.46Å; T143-A371 HydrophobicContact CG2-CB 3.66Å
144V95.7Very high92.1Very high0 Ų022.2 Ų22.20%013%0.134CC..EExtended strand (participates in β ladder)trans-139.6155.4171.6-65.40000110.9F148 R153 T156 I170 I171 N172 E173V144-F148 HydrophobicContact CB-CB 4.36Å; V144-F148 HydrophobicContact CB-CD2 3.69Å; V144-F148 HydrophobicContact CB-CE2 4.31Å; V144-F148 HydrophobicContact CB-CG 4.19Å; V144-F148 HydrophobicContact CG1-CD2 3.85Å; V144-F148 HydrophobicContact CG1-CE2 4.25Å; V144-F148 HydrophobicContact CG2-CB 4.45Å; V144-R153 HydrophobicContact CG2-CG 4.29Å; V144-T156 HydrophobicContact CG1-CG2 3.77Å; V144-I170 HydrophobicContact CB-CG2 4.19Å; V144-I170 HydrophobicContact CG1-CG2 3.71Å; V144-I170 HydrophobicContact CG2-CG2 3.4Å; V144-I170 VanDerWaalsContact CG2-CG2 3.4Å; V144-I171 PolarHBondContact N-O 3.02Å; V144-N172 CarbonylContact O-C 3.56Å; V144-N172 VanDerWaalsContact O-CA 3.3Å; V144-N172 WeakPolarHBondContact O-CA 3.36Å; V144-E173 VanDerWaalsContact C-CD 3.47Å; V144-E173 WeakPolarHBondContact CA-OE1 3.1Å; V144-E173 WeakPolarHBondContact O-CG 3.29Å; V144-E173 PolarHBondContact O-N 2.96Å
145P93.5Very high92Very high0 Ų019 Ų190%010%0.1CC..  trans-57145.3171.7-26.337.7000110.6Y147 F148 E173 T202 D204P145-Y147 PolarHBondContact O-N 3.05Å; P145-F148 HydrophobicContact CB-CD1 3.69Å; P145-F148 HydrophobicContact CB-CE1 3.94Å; P145-F148 HydrophobicContact CB-CG 4.36Å; P145-F148 HydrophobicContact CG-CD1 3.69Å; P145-F148 HydrophobicContact CG-CE1 3.44Å; P145-F148 VanDerWaalsContact CG-CE1 3.44Å; P145-F148 HydrophobicContact CG-CG 4.35Å; P145-F148 HydrophobicContact CG-CZ 3.91Å; P145-F148 WeakPolarHBondContact O-CB 3.31Å; P145-F148 PolarHBondContact O-N 2.86Å; P145-E173 WeakPolarHBondContact CD-OE1 3.4Å; P145-E173 VanDerWaalsContact N-OE1 3.08Å; P145-T202 HydrophobicContact CB-CG2 4.19Å; P145-T202 HydrophobicContact CG-CG2 3.74Å; P145-D204 VanDerWaalsContact CA-OD2 3.23Å; P145-D204 WeakPolarHBondContact CA-OD2 3.43Å; P145-D204 VanDerWaalsContact CB-OD2 3.23Å; P145-D204 WeakPolarHBondContact CB-OD2 3.36Å
146A88.2Confident92.1Very high0 Ų014.3 Ų14.30%08%0.083CC..THydrogen-bonded Turntrans-61.4-35.6-17600000111.8F148 R153 N172 P174 D204 T220 P396A146-F148 VanDerWaalsContact C-N 3.26Å; A146-F148 PolarHBondContact O-N 3.46Å; A146-R153 PolarHBondContact O-NH2 3.24Å; A146-R153 VanDerWaalsContact O-NH2 3.07Å; A146-N172 HydrophobicContact CB-CB 4.35Å; A146-P174 HydrophobicContact CB-CG 3.79Å; A146-D204 HydrophobicContact CB-CB 4.46Å; A146-D204 PolarHBondContact N-OD2 3.08Å; A146-T220 HydrophobicContact CB-CG2 4.45Å; A146-T220 VanDerWaalsContact CB-OG1 3.3Å; A146-T220 WeakPolarHBondContact CB-OG1 3.16Å; A146-P396 WeakPolarHBondContact O-CG 3.49Å
147Y83Confident92.1Very high32 Ų3212.4 Ų12.413%0.1257%0.065CC..THydrogen-bonded Turntrans-78.75.3178.2-102-114.9000115.5P145 N149 D204 T220 A221 K317 P396 L397P145-Y147 PolarHBondContact O-N 3.05Å; Y147-N149 PolarHBondContact O-N 2.72Å; Y147-D204 PolarHBondContact N-OD1 3.12Å; Y147-T220 HydrophobicContact CE2-CG2 4.39Å; Y147-A221 VanDerWaalsContact CE2-CA 3.42Å; Y147-K317 PolarHBondContact OH-NZ 2.66Å; Y147-P396 HydrophobicContact CD2-CB 3.87Å; Y147-P396 HydrophobicContact CE2-CB 3.8Å; Y147-P396 HydrophobicContact CG-CB 4.45Å; Y147-P396 PolarHBondContact OH-O 2.94Å; Y147-L397 HydrophobicContact CE1-CD1 4.37Å; Y147-L397 HydrophobicContact CE1-CD2 3.98Å; Y147-L397 HydrophobicContact CE1-CG 4.17Å
148F87.3Confident92Very high5 Ų512.7 Ų12.72%0.0227%0.067CC..  trans-64.8131.5170.1-90.124.5000111.1K69 I72 V144 P145 A146 Q152 R153K69-F148 HydrophobicContact CG-CZ 4.06Å; I72-F148 HydrophobicContact CG2-CE2 3.74Å; I72-F148 HydrophobicContact CG2-CZ 3.96Å; V144-F148 HydrophobicContact CB-CB 4.36Å; V144-F148 HydrophobicContact CB-CD2 3.69Å; V144-F148 HydrophobicContact CB-CE2 4.31Å; V144-F148 HydrophobicContact CB-CG 4.19Å; V144-F148 HydrophobicContact CG1-CD2 3.85Å; V144-F148 HydrophobicContact CG1-CE2 4.25Å; V144-F148 HydrophobicContact CG2-CB 4.45Å; P145-F148 HydrophobicContact CB-CD1 3.69Å; P145-F148 HydrophobicContact CB-CE1 3.94Å; P145-F148 HydrophobicContact CB-CG 4.36Å; P145-F148 HydrophobicContact CG-CD1 3.69Å; P145-F148 HydrophobicContact CG-CE1 3.44Å; P145-F148 VanDerWaalsContact CG-CE1 3.44Å; P145-F148 HydrophobicContact CG-CG 4.35Å; P145-F148 HydrophobicContact CG-CZ 3.91Å; P145-F148 WeakPolarHBondContact O-CB 3.31Å; P145-F148 PolarHBondContact O-N 2.86Å; A146-F148 VanDerWaalsContact C-N 3.26Å; A146-F148 PolarHBondContact O-N 3.46Å; F148-Q152 HydrophobicContact CB-CB 4.03Å; F148-Q152 HydrophobicContact CD1-CB 4.41Å; F148-Q152 HydrophobicContact CD2-CB 3.43Å; F148-Q152 VanDerWaalsContact CD2-CB 3.43Å; F148-Q152 HydrophobicContact CD2-CG 4.5Å; F148-Q152 HydrophobicContact CE2-CB 3.89Å; F148-Q152 HydrophobicContact CG-CB 3.72Å; F148-R153 HydrophobicContact CB-CG 4.16Å; F148-R153 PolarHBondContact O-NE 3.21Å; F148-R153 PolarHBondContact O-NH2 3.46Å
149N81.9Confident92Very high14 Ų1410.4 Ų10.48%0.0755%0.051CC..  trans-82.2-180173.369.123.7000112.1Y147 S151 Q152 R153 E442 L454Y147-N149 PolarHBondContact O-N 2.72Å; N149-S151 VanDerWaalsContact C-N 3.35Å; N149-S151 PolarHBondContact O-N 2.87Å; N149-S151 PolarHBondContact OD1-N 3.26Å; N149-S151 VanDerWaalsContact OD1-N 3.16Å; N149-S151 PolarHBondContact OD1-OG 3.17Å; N149-Q152 PolarHBondContact O-N 2.8Å; N149-Q152 WeakPolarHBondContact OD1-CG 3.35Å; N149-Q152 PolarHBondContact OD1-N 3.23Å; N149-Q152 VanDerWaalsContact OD1-N 3.15Å; N149-R153 VanDerWaalsContact O-CG 3.31Å; N149-R153 WeakPolarHBondContact O-CG 3.34Å; N149-R153 PolarHBondContact O-N 2.96Å; N149-E442 WeakPolarHBondContact CB-OE1 3.48Å; N149-E442 WeakPolarHBondContact CB-OE2 3.32Å; N149-E442 PolarHBondContact ND2-OE1 3.12Å; N149-E442 VanDerWaalsContact ND2-OE1 3.14Å; N149-L454 HydrophobicContact CB-CD2 4.36Å
150D82.5Confident92Very high11 Ų119 Ų96%0.0594%0.043CC..Hα-helixtrans-53.5-47.1-179.2178.884.1000113.1Q152 R153 Q154 I483 L484 I501D150-Q152 VanDerWaalsContact C-N 3.32Å; D150-Q152 PolarHBondContact O-N 2.93Å; D150-R153 PolarHBondContact O-N 2.86Å; D150-Q154 WeakPolarHBondContact O-CB 3.46Å; D150-Q154 PolarHBondContact O-N 2.79Å; D150-I483 VanDerWaalsContact OD1-CA 3.22Å; D150-I483 WeakPolarHBondContact OD1-CA 3.31Å; D150-I483 VanDerWaalsContact OD1-CG2 3.24Å; D150-I483 WeakPolarHBondContact OD1-CG2 3.49Å; D150-L484 HydrophobicContact CB-CB 4.49Å; D150-L484 PolarHBondContact OD1-N 2.87Å; D150-I501 VanDerWaalsContact OD2-O 3.05Å
151S85.6Confident91.8Very high17 Ų1711 Ų1112%0.1196%0.06CC..Hα-helixtrans-67.4-35.3-175.762.70000112.2G73 N149 A155G73-S151 PolarHBondContact O-OG 3.17Å; N149-S151 VanDerWaalsContact C-N 3.35Å; N149-S151 PolarHBondContact O-N 2.87Å; N149-S151 PolarHBondContact OD1-N 3.26Å; N149-S151 VanDerWaalsContact OD1-N 3.16Å; N149-S151 PolarHBondContact OD1-OG 3.17Å; S151-A155 WeakPolarHBondContact O-CB 3.38Å; S151-A155 PolarHBondContact O-N 2.97Å
152Q90.5Very high91.6Very high4 Ų411.3 Ų11.32%0.0196%0.061CC..Hα-helixtrans-71.8-39.8176.2-58.4177.7-82.500112.1I72 F148 N149 D150 A155 T156I72-Q152 WeakPolarHBondContact O-CG 3.38Å; F148-Q152 HydrophobicContact CB-CB 4.03Å; F148-Q152 HydrophobicContact CD1-CB 4.41Å; F148-Q152 HydrophobicContact CD2-CB 3.43Å; F148-Q152 VanDerWaalsContact CD2-CB 3.43Å; F148-Q152 HydrophobicContact CD2-CG 4.5Å; F148-Q152 HydrophobicContact CE2-CB 3.89Å; F148-Q152 HydrophobicContact CG-CB 3.72Å; N149-Q152 PolarHBondContact O-N 2.8Å; N149-Q152 WeakPolarHBondContact OD1-CG 3.35Å; N149-Q152 PolarHBondContact OD1-N 3.23Å; N149-Q152 VanDerWaalsContact OD1-N 3.15Å; D150-Q152 VanDerWaalsContact C-N 3.32Å; D150-Q152 PolarHBondContact O-N 2.93Å; Q152-A155 PolarHBondContact O-N 2.81Å; Q152-T156 WeakPolarHBondContact O-CB 3.26Å; Q152-T156 PolarHBondContact O-N 2.83Å; Q152-T156 PolarHBondContact O-OG1 3.45Å
153R91.7Very high91.4Very high8 Ų811.6 Ų11.63%0.036%0.064CC..Hα-helixtrans-62.9-46.2174.5-71.3170.1-178-78.8-10.4111.3V144 A146 F148 N149 D150 T156 K157 I170 N172 N481V144-R153 HydrophobicContact CG2-CG 4.29Å; A146-R153 PolarHBondContact O-NH2 3.24Å; A146-R153 VanDerWaalsContact O-NH2 3.07Å; F148-R153 HydrophobicContact CB-CG 4.16Å; F148-R153 PolarHBondContact O-NE 3.21Å; F148-R153 PolarHBondContact O-NH2 3.46Å; N149-R153 VanDerWaalsContact O-CG 3.31Å; N149-R153 WeakPolarHBondContact O-CG 3.34Å; N149-R153 PolarHBondContact O-N 2.96Å; D150-R153 PolarHBondContact O-N 2.86Å; R153-T156 WeakPolarHBondContact O-CB 3.25Å; R153-T156 PolarHBondContact O-N 3.12Å; R153-K157 PolarHBondContact O-N 3.39Å; R153-I170 HydrophobicContact CG-CG2 4.47Å; R153-N172 VanDerWaalsContact CZ-OD1 3.27Å; R153-N172 PolarHBondContact NH1-OD1 3.37Å; R153-N172 PolarHBondContact NH2-OD1 2.98Å; R153-N481 WeakPolarHBondContact CD-O 3.47Å; R153-N481 PolarHBondContact NH1-O 2.78Å
154Q89.8Confident91.3Very high17 Ų1713.6 Ų13.68%0.0799%0.085CC..Hα-helixtrans-65.5-43.2177.6-175.959.975.500111.8D150 T156 K157 D158D150-Q154 WeakPolarHBondContact O-CB 3.46Å; D150-Q154 PolarHBondContact O-N 2.79Å; Q154-T156 VanDerWaalsContact C-N 3.27Å; Q154-T156 PolarHBondContact O-N 2.97Å; Q154-K157 CarbonylContact O-C 3.55Å; Q154-K157 WeakPolarHBondContact O-CB 3.44Å; Q154-K157 PolarHBondContact O-N 2.93Å; Q154-K157 VanDerWaalsContact O-N 3.12Å; Q154-D158 PolarHBondContact NE2-OD1 3.26Å; Q154-D158 PolarHBondContact O-N 3.32Å
155A92.6Very high91.3Very high4 Ų414 Ų143%0.0339%0.086CC..Hα-helixtrans-61.7-35.9175.500000112.3I72 E115 S151 Q152 D158 A159I72-A155 HydrophobicContact CD1-CB 4.37Å; I72-A155 HydrophobicContact CG1-CB 3.63Å; E115-A155 HydrophobicContact CG-CB 3.79Å; E115-A155 WeakPolarHBondContact CG-O 3.45Å; E115-A155 VanDerWaalsContact OE1-CB 3.27Å; E115-A155 WeakPolarHBondContact OE1-CB 3.44Å; S151-A155 WeakPolarHBondContact O-CB 3.38Å; S151-A155 PolarHBondContact O-N 2.97Å; Q152-A155 PolarHBondContact O-N 2.81Å; A155-D158 PolarHBondContact O-N 3.3Å; A155-A159 WeakPolarHBondContact O-CB 3.25Å; A155-A159 PolarHBondContact O-N 2.71Å
156T95.3Very high91.5Very high2 Ų218.4 Ų18.41%0.01211%0.11CC..Hα-helixtrans-65.4-41.9172.7-54.60000111.6L9 I142 V144 Q152 R153 Q154 A159 G160 I170L9-T156 HydrophobicContact CD2-CG2 4.22Å; I142-T156 HydrophobicContact CG2-CG2 3.72Å; V144-T156 HydrophobicContact CG1-CG2 3.77Å; Q152-T156 WeakPolarHBondContact O-CB 3.26Å; Q152-T156 PolarHBondContact O-N 2.83Å; Q152-T156 PolarHBondContact O-OG1 3.45Å; R153-T156 WeakPolarHBondContact O-CB 3.25Å; R153-T156 PolarHBondContact O-N 3.12Å; Q154-T156 VanDerWaalsContact C-N 3.27Å; Q154-T156 PolarHBondContact O-N 2.97Å; T156-A159 WeakPolarHBondContact O-CB 3.45Å; T156-A159 PolarHBondContact O-N 3.45Å; T156-G160 PolarHBondContact O-N 2.9Å; T156-I170 HydrophobicContact CG2-CD1 4.01Å
157K93.9Very high91.9Very high67 Ų6719 Ų1929%0.29111%0.113SC..Hα-helixtrans-63.4-41.2174.4-172.5173.3-176.2172.90112R153 Q154 G160 A161 V167 I170 I483R153-K157 PolarHBondContact O-N 3.39Å; Q154-K157 CarbonylContact O-C 3.55Å; Q154-K157 WeakPolarHBondContact O-CB 3.44Å; Q154-K157 PolarHBondContact O-N 2.93Å; Q154-K157 VanDerWaalsContact O-N 3.12Å; K157-G160 PolarHBondContact O-N 3.44Å; K157-A161 PolarHBondContact O-N 3.02Å; K157-V167 HydrophobicContact CG-CB 4.17Å; K157-V167 HydrophobicContact CG-CG1 4.39Å; K157-V167 HydrophobicContact CG-CG2 4.48Å; K157-I170 HydrophobicContact CB-CD1 4.41Å; K157-I170 HydrophobicContact CB-CG1 4.39Å; K157-I483 HydrophobicContact CD-CD1 4.3Å
158D93.2Very high92.5Very high9 Ų920 Ų205%0.04812%0.121CC..Hα-helixtrans-65.3-40.9176.8-64.9-13.4000110.5Q154 A155 G160 A161 I162 R507 L508 I513Q154-D158 PolarHBondContact NE2-OD1 3.26Å; Q154-D158 PolarHBondContact O-N 3.32Å; A155-D158 PolarHBondContact O-N 3.3Å; D158-G160 VanDerWaalsContact C-N 3.31Å; D158-G160 PolarHBondContact O-N 2.95Å; D158-A161 WeakPolarHBondContact O-CB 3.46Å; D158-A161 PolarHBondContact O-N 2.84Å; D158-A161 VanDerWaalsContact O-N 3.15Å; D158-I162 VanDerWaalsContact O-CG1 3.28Å; D158-I162 WeakPolarHBondContact O-CG1 3.25Å; D158-I162 PolarHBondContact O-N 3.09Å; D158-R507 IonicContact OD2-NE 3.85Å; D158-L508 HydrophobicContact CB-CD1 4.41Å; D158-I513 HydrophobicContact CB-CD1 4.27Å
159A96.6Very high92.9Very high0 Ų022.6 Ų22.60%013%0.131CC..Hα-helixtrans-59.3-39.8172.700000112.4I72 E115 S119 L122 A155 T156 I162 A163I72-A159 HydrophobicContact CD1-CB 4.43Å; E115-A159 HydrophobicContact CB-CB 4.36Å; E115-A159 WeakPolarHBondContact O-CB 3.29Å; S119-A159 WeakPolarHBondContact CB-O 3.4Å; L122-A159 HydrophobicContact CD1-CB 3.97Å; A155-A159 WeakPolarHBondContact O-CB 3.25Å; A155-A159 PolarHBondContact O-N 2.71Å; T156-A159 WeakPolarHBondContact O-CB 3.45Å; T156-A159 PolarHBondContact O-N 3.45Å; A159-I162 PolarHBondContact O-N 2.89Å; A159-A163 PolarHBondContact O-N 2.8Å; A159-A163 VanDerWaalsContact O-N 3.08Å
160G97Very high93.6Very high0 Ų022 Ų220%013%0.128CC..Hα-helixtrans-62.9-43.2172.700000112.9T156 K157 D158 I162 A163 G164 L165T156-G160 PolarHBondContact O-N 2.9Å; K157-G160 PolarHBondContact O-N 3.44Å; D158-G160 VanDerWaalsContact C-N 3.31Å; D158-G160 PolarHBondContact O-N 2.95Å; G160-I162 PolarHBondContact O-N 3.49Å; G160-A163 PolarHBondContact O-N 3.41Å; G160-G164 PolarHBondContact O-N 2.85Å; G160-L165 CarbonylContact C-O 3.57Å; G160-L165 WeakPolarHBondContact O-CB 3.37Å; G160-L165 PolarHBondContact O-N 3.39Å
161A93.8Very high94.2Very high42 Ų4221.8 Ų21.835%0.34713%0.126SC..Hα-helixtrans-62.3-41.8175.700000112.2K157 D158 A163 G164K157-A161 PolarHBondContact O-N 3.02Å; D158-A161 WeakPolarHBondContact O-CB 3.46Å; D158-A161 PolarHBondContact O-N 2.84Å; D158-A161 VanDerWaalsContact O-N 3.15Å; A161-A163 VanDerWaalsContact C-N 3.27Å; A161-A163 PolarHBondContact O-N 3.35Å; A161-G164 PolarHBondContact O-N 3.07Å
162I94.2Very high94.7Very high5 Ų521.1 Ų21.13%0.02612%0.121CC..Hα-helixtrans-61.6-35.7175.4-64163.1000111.1E115 S119 D158 A159 G160 G164 L508 I513 M516 A520E115-I162 HydrophobicContact CB-CD1 4.24Å; S119-I162 VanDerWaalsContact OG-CG2 3.23Å; S119-I162 WeakPolarHBondContact OG-CG2 3.42Å; D158-I162 VanDerWaalsContact O-CG1 3.28Å; D158-I162 WeakPolarHBondContact O-CG1 3.25Å; D158-I162 PolarHBondContact O-N 3.09Å; A159-I162 PolarHBondContact O-N 2.89Å; G160-I162 PolarHBondContact O-N 3.49Å; I162-G164 PolarHBondContact O-N 3.49Å; I162-L508 HydrophobicContact CD1-CD1 3.8Å; I162-I513 HydrophobicContact CG1-CG2 4.48Å; I162-M516 HydrophobicContact CD1-CB 3.94Å; I162-M516 HydrophobicContact CD1-CG 4.49Å; I162-M516 HydrophobicContact CD1-SD 3.8Å; I162-M516 HydrophobicContact CG1-CB 3.92Å; I162-M516 HydrophobicContact CG2-CB 4.18Å; I162-A520 HydrophobicContact CG2-CB 3.96Å
163A95.9Very high95Very high7 Ų721.3 Ų21.36%0.05812%0.122CC..THydrogen-bonded Turntrans-74.92.917500000114.1S119 L122 A159 G160 A161 L165S119-A163 WeakPolarHBondContact O-CB 3.41Å; L122-A163 HydrophobicContact CB-CB 3.73Å; A159-A163 PolarHBondContact O-N 2.8Å; A159-A163 VanDerWaalsContact O-N 3.08Å; G160-A163 PolarHBondContact O-N 3.41Å; A161-A163 VanDerWaalsContact C-N 3.27Å; A161-A163 PolarHBondContact O-N 3.35Å; A163-L165 VanDerWaalsContact C-N 3.33Å; A163-L165 HydrophobicContact CB-CD1 4.33Å; A163-L165 HydrophobicContact CB-CG 4.45Å; A163-L165 PolarHBondContact O-N 3.14Å
164G94.3Very high95.1Very high42 Ų4220.9 Ų20.943%0.43312%0.121SC..THydrogen-bonded Turntrans66.634.1-175.900000112.9K126 G160 A161 I162K126-G164 PolarHBondContact NZ-O 2.98Å; G160-G164 PolarHBondContact O-N 2.85Å; A161-G164 PolarHBondContact O-N 3.07Å; I162-G164 PolarHBondContact O-N 3.49Å
165L97.1Very high95.4Very high7 Ų720.1 Ų20.14%0.03712%0.117CC..  trans-107.9131172.7-65.5168.6000110.1I7 L122 K126 V137 S138 A140 G160 A163 V167I7-L165 HydrophobicContact CD1-CD1 3.84Å; L122-L165 HydrophobicContact CB-CD1 4.37Å; K126-L165 HydrophobicContact CB-CD2 4.35Å; K126-L165 HydrophobicContact CD-CD2 3.89Å; K126-L165 HydrophobicContact CD-CG 4.33Å; K126-L165 HydrophobicContact CG-CD2 4.25Å; V137-L165 HydrophobicContact CG1-CD2 4.47Å; S138-L165 CarbonylContact O-C 3.57Å; S138-L165 WeakPolarHBondContact O-CA 3.46Å; A140-L165 HydrophobicContact CB-CB 4.37Å; A140-L165 HydrophobicContact CB-CD1 4.1Å; A140-L165 HydrophobicContact CB-CD2 4.19Å; A140-L165 HydrophobicContact CB-CG 4.46Å; G160-L165 CarbonylContact C-O 3.57Å; G160-L165 WeakPolarHBondContact O-CB 3.37Å; G160-L165 PolarHBondContact O-N 3.39Å; A163-L165 VanDerWaalsContact C-N 3.33Å; A163-L165 HydrophobicContact CB-CD1 4.33Å; A163-L165 HydrophobicContact CB-CG 4.45Å; A163-L165 PolarHBondContact O-N 3.14Å; L165-V167 PolarHBondContact O-N 3.26Å
166N96.8Very high95.6Very high93 Ų9320 Ų2050%0.49712%0.116SC..EExtended strand (participates in β ladder)trans-75.8102.4161.7178.535.7000108.8S138 D139 A140 L168S138-N166 PolarHBondContact O-N 3.39Å; D139-N166 WeakPolarHBondContact CA-O 3.49Å; D139-N166 WeakPolarHBondContact OD1-CB 3.13Å; D139-N166 PolarHBondContact OD1-ND2 3.42Å; A140-N166 PolarHBondContact N-O 3.07Å; N166-L168 PolarHBondContact O-N 3.46Å; N166-L168 VanDerWaalsContact O-N 3.07Å
167V96.8Very high95.6Very high12 Ų1219.9 Ų19.97%0.07312%0.115CC..EExtended strand (participates in β ladder)trans-75.997.7179.4-175.30000109.4A140 I142 K157 L165 R169 I170A140-V167 CarbonylContact O-C 3.55Å; A140-V167 WeakPolarHBondContact O-CA 3.36Å; I142-V167 HydrophobicContact CD1-CG1 4.33Å; I142-V167 HydrophobicContact CD1-CG2 3.77Å; I142-V167 HydrophobicContact CG1-CG1 4.45Å; K157-V167 HydrophobicContact CG-CB 4.17Å; K157-V167 HydrophobicContact CG-CG1 4.39Å; K157-V167 HydrophobicContact CG-CG2 4.48Å; L165-V167 PolarHBondContact O-N 3.26Å; V167-R169 VanDerWaalsContact C-N 3.31Å; V167-R169 PolarHBondContact O-N 2.93Å; V167-I170 HydrophobicContact CG1-CD1 3.63Å; V167-I170 HydrophobicContact CG1-CG1 4.18Å
168L96.3Very high95.7Very high55 Ų5516.7 Ų16.729%0.28810%0.101SC..EExtended strand (participates in β ladder)trans-63-39.3-179.1-63.5-179000111.8A4 D139 A140 V141 N166 L378A4-L168 HydrophobicContact CB-CD1 3.78Å; D139-L168 HydrophobicContact CB-CD1 3.94Å; D139-L168 HydrophobicContact CB-CD2 4.26Å; D139-L168 HydrophobicContact CB-CG 4.03Å; A140-L168 PolarHBondContact O-N 2.88Å; V141-L168 HydrophobicContact CG2-CB 4.28Å; N166-L168 PolarHBondContact O-N 3.46Å; N166-L168 VanDerWaalsContact O-N 3.07Å; L168-L378 HydrophobicContact CB-CD1 4.06Å; L168-L378 HydrophobicContact CD1-CB 4.06Å
169R96.1Very high95.8Very high59 Ų5916.2 Ų16.222%0.22310%0.099CC..EExtended strand (participates in β ladder)trans-157.6144.5178.4-175169.9-68.9-172.3-5.5111.2V141 I142 V167 L378 N481V141-R169 WeakPolarHBondContact CA-O 3.42Å; V141-R169 HydrophobicContact CG2-CB 4.25Å; I142-R169 PolarHBondContact N-O 2.72Å; V167-R169 VanDerWaalsContact C-N 3.31Å; V167-R169 PolarHBondContact O-N 2.93Å; R169-L378 HydrophobicContact CB-CD1 3.5Å; R169-L378 HydrophobicContact CG-CD1 4.41Å; R169-N481 VanDerWaalsContact CA-OD1 3.31Å; R169-N481 WeakPolarHBondContact CA-OD1 3.26Å
170I95.9Very high95.6Very high2 Ų216.6 Ų16.61%0.0110%0.102CC..EExtended strand (participates in β ladder)trans-93.8123.3159.3-61-62.2000107.7I142 V144 R153 T156 K157 V167 N481I142-I170 HydrophobicContact CB-CD1 4.07Å; I142-I170 WeakPolarHBondContact O-CA 3.44Å; V144-I170 HydrophobicContact CB-CG2 4.19Å; V144-I170 HydrophobicContact CG1-CG2 3.71Å; V144-I170 HydrophobicContact CG2-CG2 3.4Å; V144-I170 VanDerWaalsContact CG2-CG2 3.4Å; R153-I170 HydrophobicContact CG-CG2 4.47Å; T156-I170 HydrophobicContact CG2-CD1 4.01Å; K157-I170 HydrophobicContact CB-CD1 4.41Å; K157-I170 HydrophobicContact CB-CG1 4.39Å; V167-I170 HydrophobicContact CG1-CD1 3.63Å; V167-I170 HydrophobicContact CG1-CG1 4.18Å; I170-N481 HydrophobicContact CB-CB 4.25Å; I170-N481 PolarHBondContact N-OD1 3.34Å
171I95.8Very high95.4Very high5 Ų516.9 Ų16.93%0.02610%0.103CC..EExtended strand (participates in β ladder)trans-117.1147.6-180-171.4171.3000110.6V141 I142 T143 V144 T175 A176 I179 Q374 L391V141-I171 HydrophobicContact CG1-CB 4.23Å; V141-I171 HydrophobicContact CG1-CG2 3.6Å; I142-I171 PolarHBondContact O-N 3.13Å; I142-I171 VanDerWaalsContact O-N 3.11Å; T143-I171 CarbonylContact C-O 3.51Å; T143-I171 VanDerWaalsContact CA-O 3.23Å; T143-I171 WeakPolarHBondContact CA-O 3.29Å; T143-I171 HydrophobicContact CG2-CG2 3.68Å; V144-I171 PolarHBondContact N-O 3.02Å; I171-T175 HydrophobicContact CD1-CG2 4.31Å; I171-T175 HydrophobicContact CG1-CG2 4.34Å; I171-A176 HydrophobicContact CD1-CB 4.24Å; I171-A176 HydrophobicContact CG2-CB 4.29Å; I171-I179 HydrophobicContact CD1-CD1 3.93Å; I171-Q374 HydrophobicContact CD1-CB 4.23Å; I171-Q374 HydrophobicContact CD1-CG 4.1Å; I171-L391 HydrophobicContact CD1-CD2 3.69Å; I171-L391 HydrophobicContact CG1-CD2 4.14Å
172N94.9Very high95.2Very high3 Ų315.3 Ų15.32%0.0169%0.091CC..EExtended strand (participates in β ladder)trans-69.7136.8173.8-67.1-17.2000110.9V144 A146 R153 T175 A176 D393V144-N172 CarbonylContact O-C 3.56Å; V144-N172 VanDerWaalsContact O-CA 3.3Å; V144-N172 WeakPolarHBondContact O-CA 3.36Å; A146-N172 HydrophobicContact CB-CB 4.35Å; R153-N172 VanDerWaalsContact CZ-OD1 3.27Å; R153-N172 PolarHBondContact NH1-OD1 3.37Å; R153-N172 PolarHBondContact NH2-OD1 2.98Å; N172-T175 WeakPolarHBondContact CB-OG1 3.5Å; N172-T175 WeakPolarHBondContact O-CB 3.44Å; N172-T175 PolarHBondContact O-N 2.83Å; N172-A176 PolarHBondContact O-N 3.21Å; N172-D393 WeakPolarHBondContact CB-OD2 3.45Å; N172-D393 PolarHBondContact ND2-OD1 3.21Å; N172-D393 PolarHBondContact ND2-OD2 3.24Å
173E96.7Very high94.6Very high8 Ų816.7 Ų16.74%0.03710%0.098CC..Hα-helixtrans-52.7-54.3176.5-75.7163.4-155.200113.7K69 V144 P145 T175 A176 A177 V367K69-E173 IonicContact NZ-OE1 3.12Å; K69-E173 PolarHBondContact NZ-OE1 2.79Å; V144-E173 VanDerWaalsContact C-CD 3.47Å; V144-E173 WeakPolarHBondContact CA-OE1 3.1Å; V144-E173 WeakPolarHBondContact O-CG 3.29Å; V144-E173 PolarHBondContact O-N 2.96Å; P145-E173 WeakPolarHBondContact CD-OE1 3.4Å; P145-E173 VanDerWaalsContact N-OE1 3.08Å; E173-T175 PolarHBondContact O-N 2.81Å; E173-A176 PolarHBondContact O-N 2.99Å; E173-A176 VanDerWaalsContact O-N 3.13Å; E173-A177 PolarHBondContact O-N 3.49Å; E173-V367 HydrophobicContact CB-CG1 4.2Å; E173-V367 HydrophobicContact CB-CG2 4.27Å; E173-V367 HydrophobicContact CG-CG1 3.81Å
174P95.2Very high93.6Very high0 Ų022.5 Ų22.50%013%0.128CC..Hα-helixtrans-64-30-179.924.5-35.6000112A146 A178 I195 D204 S206A146-P174 HydrophobicContact CB-CG 3.79Å; P174-A178 WeakPolarHBondContact O-CB 3.24Å; P174-A178 PolarHBondContact O-N 3.32Å; P174-I195 HydrophobicContact CB-CB 4.1Å; P174-I195 HydrophobicContact CB-CG2 3.76Å; P174-D204 HydrophobicContact CG-CB 4.17Å; P174-S206 WeakPolarHBondContact CB-OG 3.04Å; P174-S206 VanDerWaalsContact CG-OG 3.26Å; P174-S206 WeakPolarHBondContact CG-OG 3.28Å
175T95Very high92.4Very high1 Ų124.8 Ų24.81%0.00613%0.126CC..Hα-helixtrans-68.7-44.2175.3-580000111.7I171 N172 E173 A178 I179 V217 L391 D393I171-T175 HydrophobicContact CD1-CG2 4.31Å; I171-T175 HydrophobicContact CG1-CG2 4.34Å; N172-T175 WeakPolarHBondContact CB-OG1 3.5Å; N172-T175 WeakPolarHBondContact O-CB 3.44Å; N172-T175 PolarHBondContact O-N 2.83Å; E173-T175 PolarHBondContact O-N 2.81Å; T175-A178 WeakPolarHBondContact O-CB 3.22Å; T175-A178 PolarHBondContact O-N 3.24Å; T175-I179 PolarHBondContact O-N 3.14Å; T175-I179 VanDerWaalsContact O-N 3.13Å; T175-V217 HydrophobicContact CG2-CG2 4.47Å; T175-L391 HydrophobicContact CG2-CD1 3.05Å; T175-L391 HydrophobicContact CG2-CD2 3.53Å; T175-L391 HydrophobicContact CG2-CG 3.81Å; T175-D393 PolarHBondContact OG1-OD2 3.43Å
176A96.8Very high90.7Very high0 Ų034.7 Ų34.70%017%0.169CC..Hα-helixtrans-61.6-44.3173.500000111.1T143 I171 N172 E173 A178 I179 A180 V367 G370T143-A176 HydrophobicContact CG2-CB 4.14Å; I171-A176 HydrophobicContact CD1-CB 4.24Å; I171-A176 HydrophobicContact CG2-CB 4.29Å; N172-A176 PolarHBondContact O-N 3.21Å; E173-A176 PolarHBondContact O-N 2.99Å; E173-A176 VanDerWaalsContact O-N 3.13Å; A176-A178 VanDerWaalsContact C-N 3.28Å; A176-A178 PolarHBondContact O-N 3.36Å; A176-I179 WeakPolarHBondContact O-CB 3.36Å; A176-I179 PolarHBondContact O-N 2.84Å; A176-I179 VanDerWaalsContact O-N 3.11Å; A176-A180 PolarHBondContact O-N 3.38Å; A176-V367 HydrophobicContact CB-CG1 4.45Å; A176-V367 WeakPolarHBondContact CB-O 3.22Å; A176-G370 VanDerWaalsContact O-CA 3.26Å; A176-G370 WeakPolarHBondContact O-CA 3.5Å
177A96.4Very high88.8Confident0 Ų032.4 Ų32.40%016%0.159CC..Hα-helixtrans-63.6-33176.300000113.2E173 A180 Y181 I195 V335 A366 V367E173-A177 PolarHBondContact O-N 3.49Å; A177-A180 PolarHBondContact O-N 3.31Å; A177-Y181 PolarHBondContact O-N 2.93Å; A177-I195 HydrophobicContact CB-CG2 4.26Å; A177-V335 HydrophobicContact CB-CB 4.29Å; A177-V335 HydrophobicContact CB-CG1 3.85Å; A177-V335 HydrophobicContact CB-CG2 3.47Å; A177-V335 VanDerWaalsContact CB-CG2 3.47Å; A177-A366 HydrophobicContact CB-CB 4.16Å; A177-V367 HydrophobicContact CB-CG2 4.31Å
178A95.3Very high87.5Confident0 Ų035.6 Ų35.60%019%0.193CC..Hα-helixtrans-63.7-40172.600000112.2P174 T175 A176 A180 Y181 G182 I195 L208 F215P174-A178 WeakPolarHBondContact O-CB 3.24Å; P174-A178 PolarHBondContact O-N 3.32Å; T175-A178 WeakPolarHBondContact O-CB 3.22Å; T175-A178 PolarHBondContact O-N 3.24Å; A176-A178 VanDerWaalsContact C-N 3.28Å; A176-A178 PolarHBondContact O-N 3.36Å; A178-A180 VanDerWaalsContact C-N 3.35Å; A178-Y181 WeakPolarHBondContact O-CB 3.48Å; A178-Y181 PolarHBondContact O-N 3.31Å; A178-G182 PolarHBondContact O-N 2.99Å; A178-I195 HydrophobicContact CB-CD1 3.95Å; A178-I195 HydrophobicContact CB-CG1 4.04Å; A178-L208 HydrophobicContact CB-CD1 3.95Å; A178-L208 HydrophobicContact CB-CD2 3.54Å; A178-L208 HydrophobicContact CB-CG 4.32Å; A178-F215 HydrophobicContact CB-CD1 4.42Å; A178-F215 WeakPolarHBondContact O-CE1 3.39Å
179I94.2Very high86.9Confident0 Ų034.7 Ų34.70%020%0.198CC..Hα-helixtrans-60-46.4173.3-66.7168.1000110.4I171 T175 A176 Y181 G182 L183 F215 V373 L389 L391I171-I179 HydrophobicContact CD1-CD1 3.93Å; T175-I179 PolarHBondContact O-N 3.14Å; T175-I179 VanDerWaalsContact O-N 3.13Å; A176-I179 WeakPolarHBondContact O-CB 3.36Å; A176-I179 PolarHBondContact O-N 2.84Å; A176-I179 VanDerWaalsContact O-N 3.11Å; I179-Y181 VanDerWaalsContact C-N 3.29Å; I179-Y181 PolarHBondContact O-N 2.87Å; I179-G182 PolarHBondContact O-N 3.15Å; I179-L183 PolarHBondContact O-N 3.16Å; I179-F215 HydrophobicContact CG1-CD1 4.49Å; I179-V373 HydrophobicContact CG2-CB 3.76Å; I179-V373 HydrophobicContact CG2-CG1 3.67Å; I179-V373 HydrophobicContact CG2-CG2 4.1Å; I179-L389 HydrophobicContact CD1-CD2 4.37Å; I179-L389 HydrophobicContact CG1-CD1 4.38Å; I179-L389 HydrophobicContact CG1-CD2 4.47Å; I179-L389 HydrophobicContact CG2-CD1 3.82Å; I179-L391 HydrophobicContact CD1-CD2 4.46Å
180A94Very high86.7Confident7 Ų736.9 Ų36.96%0.05821%0.21CC..Hα-helixtrans-61.5-37.2177.400000112.6A176 A177 A178 A366 Y369A176-A180 PolarHBondContact O-N 3.38Å; A177-A180 PolarHBondContact O-N 3.31Å; A178-A180 VanDerWaalsContact C-N 3.35Å; A180-A366 HydrophobicContact CB-CB 4.3Å; A180-A366 VanDerWaalsContact CB-O 3.24Å; A180-A366 WeakPolarHBondContact CB-O 3.17Å; A180-Y369 HydrophobicContact CB-CD1 3.59Å; A180-Y369 HydrophobicContact CB-CE1 4.43Å; A180-Y369 HydrophobicContact CB-CG 3.99Å
181Y92.5Very high86.6Confident6 Ų640.4 Ų40.42%0.02422%0.224CC..Hα-helixtrans-66.9-44.3172.7166.6-99.4000112.7A177 A178 I179 K185 R191 V193 I210 D331 V333 N358A177-Y181 PolarHBondContact O-N 2.93Å; A178-Y181 WeakPolarHBondContact O-CB 3.48Å; A178-Y181 PolarHBondContact O-N 3.31Å; I179-Y181 VanDerWaalsContact C-N 3.29Å; I179-Y181 PolarHBondContact O-N 2.87Å; Y181-K185 HydrophobicContact CE2-CG 4.36Å; Y181-K185 WeakPolarHBondContact O-CG 3.31Å; Y181-R191 PolarHBondContact OH-NH1 3.04Å; Y181-V193 HydrophobicContact CD1-CG1 4.26Å; Y181-V193 HydrophobicContact CD1-CG2 4.3Å; Y181-V193 HydrophobicContact CE1-CG1 4.23Å; Y181-V193 HydrophobicContact CE1-CG2 3.7Å; Y181-I210 HydrophobicContact CD1-CD1 3.9Å; Y181-I210 HydrophobicContact CE1-CD1 4.08Å; Y181-D331 PolarHBondContact OH-OD2 3.3Å; Y181-V333 HydrophobicContact CD1-CG2 4.3Å; Y181-V333 HydrophobicContact CD2-CG2 3.58Å; Y181-V333 HydrophobicContact CE2-CG2 4Å; Y181-V333 HydrophobicContact CG-CG2 3.76Å; Y181-N358 WeakPolarHBondContact CE2-ND2 3.48Å
182G89.5Confident86.6Confident10 Ų1040.4 Ų40.410%0.10322%0.224CC..Hα-helixtrans-81.5-27-169.700000115.3A178 I179 D184 K185A178-G182 PolarHBondContact O-N 2.99Å; I179-G182 PolarHBondContact O-N 3.15Å; G182-D184 PolarHBondContact O-N 3.15Å; G182-K185 PolarHBondContact O-N 3.44Å
183L82.2Confident86.7Confident33 Ų3340.2 Ų40.217%0.17322%0.223CC..THydrogen-bonded Turntrans-56.7-44.6-171.8-170.170.6000113.5I179 K185 Y369 V373 A385 V386I179-L183 PolarHBondContact O-N 3.16Å; L183-K185 VanDerWaalsContact C-N 3.33Å; L183-Y369 HydrophobicContact CD2-CE1 3.88Å; L183-V373 HydrophobicContact CD2-CG2 3.91Å; L183-A385 WeakPolarHBondContact CD1-O 3.31Å; L183-V386 HydrophobicContact CD1-CG1 4.1Å
184D73.1Confident86.8Confident129 Ų12939.9 Ų39.969%0.6922%0.221SC*.THydrogen-bonded Turntrans-85.9-7.1-179.3-70.4-32.8000113.2G182 K186G182-D184 PolarHBondContact O-N 3.15Å; D184-K186 PolarHBondContact O-N 2.83Å
185K70.5Confident86.9Confident91 Ų9139.9 Ų39.940%0.39622%0.221SC..  trans-95.785.9-175-63.4-66.6-176.3-168.70109.2Y181 G182 L183 V187Y181-K185 HydrophobicContact CE2-CG 4.36Å; Y181-K185 WeakPolarHBondContact O-CG 3.31Å; G182-K185 PolarHBondContact O-N 3.44Å; L183-K185 VanDerWaalsContact C-N 3.33Å; K185-V187 HydrophobicContact CB-CG2 3.68Å; K185-V187 PolarHBondContact O-N 3.29Å
186K60.7Low87.1Confident214 Ų21439.8 Ų39.893%0.9322%0.221SC*.  trans-6868.1161-63.8-172.1-179.3-173.10109.9D184D184-K186 PolarHBondContact O-N 2.83Å
187V56.8Low87.1Confident46 Ų4640 Ų4028%0.27922%0.222SC..  trans-88.3125.8174.6-158.60000107.6K185 G189 R191K185-V187 HydrophobicContact CB-CG2 3.68Å; K185-V187 PolarHBondContact O-N 3.29Å; V187-G189 PolarHBondContact O-N 3.24Å; V187-R191 HydrophobicContact CG1-CG 4.33Å; V187-R191 VanDerWaalsContact CG1-CZ 3.46Å
188G70.6Confident87.2Confident78 Ų7840 Ų4080%0.80422%0.222SC*.SBendtrans-70.1123.2165.900000109.8
189G82.9Confident87.2Confident37 Ų3740.5 Ų40.538%0.38123%0.227SC..SBendtrans95.8168.5171.500000115.8V187V187-G189 PolarHBondContact O-N 3.24Å
190E91.1Very high87.2Confident104 Ų10441.4 Ų41.449%0.48624%0.236SC..  trans-59.1130.2-179.9-169.1-169.3105.100112.3T209E190-T209 HydrophobicContact CG-CG2 3.29Å
191R93.7Very high87.1Confident76 Ų7641 Ų4129%0.28723%0.233SC..EExtended strand (participates in β ladder)trans-127.8123.9171.7-83.7-159.2166.5167.35.1113Y181 V187 V193 T209 I210 D331Y181-R191 PolarHBondContact OH-NH1 3.04Å; V187-R191 HydrophobicContact CG1-CG 4.33Å; V187-R191 VanDerWaalsContact CG1-CZ 3.46Å; R191-V193 HydrophobicContact CB-CG2 4.44Å; R191-T209 CarbonylContact O-C 3.52Å; R191-T209 WeakPolarHBondContact O-CA 3.46Å; R191-I210 PolarHBondContact N-O 3.4Å; R191-I210 PolarHBondContact O-N 2.85Å; R191-D331 IonicContact CZ-OD2 2.93Å; R191-D331 IonicContact NE-OD2 3.29Å; R191-D331 IonicContact NH1-OD2 2.75Å; R191-D331 PolarHBondContact NH1-OD2 3.14Å
192N96.9Very high87.1Confident5 Ų541.1 Ų41.13%0.02724%0.235CC..EExtended strand (participates in β ladder)trans-87122.5167.9-56.5-47.6000110.6L208 T209 M324 Q328 I329 H330N192-L208 CarbonylContact C-O 3.52Å; N192-L208 VanDerWaalsContact CA-O 3.31Å; N192-L208 WeakPolarHBondContact CA-O 3.27Å; N192-T209 PolarHBondContact OD1-OG1 3.08Å; N192-M324 HydrophobicContact CB-CE 4.39Å; N192-M324 HydrophobicContact CB-SD 4.01Å; N192-M324 WeakPolarHBondContact OD1-CE 3.39Å; N192-Q328 WeakPolarHBondContact CB-O 3.23Å; N192-Q328 PolarHBondContact ND2-O 3.11Å; N192-I329 HydrophobicContact CB-CD1 4.35Å; N192-H330 PolarHBondContact N-ND1 3.33Å; N192-H330 VanDerWaalsContact N-ND1 3.12Å; N192-H330 WeakPolarHBondContact O-CB 3.33Å; N192-H330 PolarHBondContact O-N 2.69Å; N192-H330 PolarHBondContact O-ND1 3.1Å
193V96.9Very high87.4Confident0 Ų040.7 Ų40.70%023%0.23CC..EExtended strand (participates in β ladder)trans-122.7134.4-176-177.10000109Y181 R191 I195 I207 L208 I210 D331 V333Y181-V193 HydrophobicContact CD1-CG1 4.26Å; Y181-V193 HydrophobicContact CD1-CG2 4.3Å; Y181-V193 HydrophobicContact CE1-CG1 4.23Å; Y181-V193 HydrophobicContact CE1-CG2 3.7Å; R191-V193 HydrophobicContact CB-CG2 4.44Å; V193-I195 HydrophobicContact CG1-CD1 3.85Å; V193-I207 WeakPolarHBondContact O-CA 3.46Å; V193-L208 PolarHBondContact N-O 2.8Å; V193-L208 PolarHBondContact O-N 3.42Å; V193-I210 HydrophobicContact CB-CD1 4.41Å; V193-I210 HydrophobicContact CG2-CD1 3.82Å; V193-I210 HydrophobicContact CG2-CG1 4.4Å; V193-D331 WeakPolarHBondContact CA-O 3.31Å; V193-D331 HydrophobicContact CG1-CB 4.19Å; V193-D331 HydrophobicContact CG2-CB 4.31Å; V193-V333 HydrophobicContact CG1-CG2 3.61Å
194L98.3Very high88Confident0 Ų039.1 Ų39.10%022%0.222CC..EExtended strand (participates in β ladder)trans-99.2122.1167.8-175.1147000109.1F196 V205 S206 I207 V315 I329 D331 I332 V333 F352L194-F196 HydrophobicContact CD2-CB 3.79Å; L194-F196 HydrophobicContact CD2-CD2 4.41Å; L194-V205 HydrophobicContact CD1-CG1 3.87Å; L194-V205 HydrophobicContact CD2-CG1 4.07Å; L194-V205 HydrophobicContact CG-CG1 3.93Å; L194-S206 WeakPolarHBondContact CA-O 3.09Å; L194-I207 HydrophobicContact CB-CG1 4.5Å; L194-I207 HydrophobicContact CD1-CG1 4.18Å; L194-I207 HydrophobicContact CG-CG1 4.38Å; L194-V315 HydrophobicContact CD1-CG1 4.01Å; L194-I329 HydrophobicContact CB-CG2 3.83Å; L194-D331 PolarHBondContact N-O 3.37Å; L194-I332 HydrophobicContact CD2-CG2 4.01Å; L194-I332 CarbonylContact O-C 3.59Å; L194-I332 WeakPolarHBondContact O-CA 3.48Å; L194-V333 PolarHBondContact O-N 2.99Å; L194-F352 HydrophobicContact CD1-CE2 4.22Å; L194-F352 HydrophobicContact CD1-CZ 3.76Å
195I98.1Very high89.2Confident0 Ų033 Ų330%019%0.189CC..EExtended strand (participates in β ladder)trans-92.5118.3169.1-51.8-58.8000107.6P174 A177 A178 V193 V205 S206 L208 V333 V335P174-I195 HydrophobicContact CB-CB 4.1Å; P174-I195 HydrophobicContact CB-CG2 3.76Å; A177-I195 HydrophobicContact CB-CG2 4.26Å; A178-I195 HydrophobicContact CB-CD1 3.95Å; A178-I195 HydrophobicContact CB-CG1 4.04Å; V193-I195 HydrophobicContact CG1-CD1 3.85Å; I195-V205 WeakPolarHBondContact O-CA 3.44Å; I195-S206 PolarHBondContact N-O 3.33Å; I195-S206 PolarHBondContact O-N 3.02Å; I195-S206 VanDerWaalsContact O-N 3.08Å; I195-L208 HydrophobicContact CB-CD1 4.47Å; I195-L208 HydrophobicContact CD1-CD1 4.49Å; I195-L208 HydrophobicContact CG1-CD1 3.49Å; I195-L208 VanDerWaalsContact CG1-CD1 3.49Å; I195-V333 HydrophobicContact CD1-CB 3.77Å; I195-V333 HydrophobicContact CD1-CG1 4.23Å; I195-V333 HydrophobicContact CD1-CG2 4.1Å; I195-V335 HydrophobicContact CG2-CB 4.46Å; I195-V335 HydrophobicContact CG2-CG2 3.69Å
196F98.2Very high90.4Very high0 Ų028.7 Ų28.70%017%0.17CC..EExtended strand (participates in β ladder)trans-107.396.6175.1-170.8-81.7000107.9L194 L198 F203 V205 T311 V315 V333 L334 V335 T339 V344 L348L194-F196 HydrophobicContact CD2-CB 3.79Å; L194-F196 HydrophobicContact CD2-CD2 4.41Å; F196-L198 HydrophobicContact CD1-CB 4.29Å; F196-L198 HydrophobicContact CE1-CB 3.85Å; F196-L198 HydrophobicContact CE1-CD2 4.26Å; F196-F203 HydrophobicContact CD1-CE2 4.01Å; F196-F203 AromaticContact CD2-CE2 3.88Å; F196-F203 HydrophobicContact CD2-CE2 3.88Å; F196-F203 AromaticContact CD2-CZ 4Å; F196-F203 HydrophobicContact CD2-CZ 4Å; F196-F203 HydrophobicContact CE1-CD2 4.44Å; F196-F203 AromaticContact CE1-CE2 3.63Å; F196-F203 HydrophobicContact CE1-CE2 3.63Å; F196-F203 HydrophobicContact CE1-CZ 4.31Å; F196-F203 AromaticContact CE2-CE2 3.5Å; F196-F203 HydrophobicContact CE2-CE2 3.5Å; F196-F203 VanDerWaalsContact CE2-CE2 3.5Å; F196-F203 AromaticContact CE2-CZ 3.39Å; F196-F203 HydrophobicContact CE2-CZ 3.39Å; F196-F203 HydrophobicContact CG-CE2 4.13Å; F196-F203 HydrophobicContact CZ-CD2 4.42Å; F196-F203 AromaticContact CZ-CE2 3.36Å; F196-F203 HydrophobicContact CZ-CE2 3.36Å; F196-F203 AromaticContact CZ-CZ 3.58Å; F196-F203 HydrophobicContact CZ-CZ 3.58Å; F196-V205 HydrophobicContact CD2-CG2 4.26Å; F196-T311 HydrophobicContact CZ-CG2 4.4Å; F196-V315 HydrophobicContact CD2-CG2 3.86Å; F196-V315 HydrophobicContact CE2-CG2 3.76Å; F196-V333 PolarHBondContact N-O 3.43Å; F196-L334 HydrophobicContact CB-CD2 4.31Å; F196-L334 HydrophobicContact CD1-CD2 4.37Å; F196-V335 PolarHBondContact O-N 3.07Å; F196-T339 HydrophobicContact CD1-CG2 3.88Å; F196-T339 HydrophobicContact CE1-CG2 4.27Å; F196-V344 HydrophobicContact CE1-CG1 3.58Å; F196-V344 HydrophobicContact CZ-CG1 3.85Å; F196-L348 HydrophobicContact CB-CD2 4.03Å; F196-L348 HydrophobicContact CD1-CD2 4.22Å; F196-L348 HydrophobicContact CD2-CD1 3.81Å; F196-L348 HydrophobicContact CD2-CD2 3.65Å; F196-L348 HydrophobicContact CD2-CG 4.38Å; F196-L348 HydrophobicContact CE2-CD1 3.94Å; F196-L348 HydrophobicContact CE2-CD2 4.1Å; F196-L348 HydrophobicContact CG-CD2 3.7Å
197D97.5Very high92.2Very high4 Ų418.5 Ų18.52%0.02113%0.126CC..EExtended strand (participates in β ladder)trans-102.3100.3-176.4-169.5-9.1000110.5F203 D204 V335D197-F203 CarbonylContact O-C 3.57Å; D197-F203 VanDerWaalsContact O-CA 3.3Å; D197-F203 WeakPolarHBondContact O-CA 3.44Å; D197-F203 VanDerWaalsContact O-CD2 3.26Å; D197-F203 WeakPolarHBondContact O-CD2 3.44Å; D197-D204 HydrophobicContact CB-CB 4.37Å; D197-D204 PolarHBondContact N-O 2.83Å; D197-D204 PolarHBondContact O-N 2.9Å; D197-V335 WeakPolarHBondContact CA-O 3.5Å; D197-V335 HydrophobicContact CB-CB 3.99Å; D197-V335 HydrophobicContact CB-CG1 4.28Å
198L97.7Very high94.1Very high0 Ų016.3 Ų16.30%011%0.113CC..EExtended strand (participates in β ladder)trans-115.295.6177.1-172.567.3000109.1F196 F203 L226 F231 T311 V335 G336 S338 T339 V344F196-L198 HydrophobicContact CD1-CB 4.29Å; F196-L198 HydrophobicContact CE1-CB 3.85Å; F196-L198 HydrophobicContact CE1-CD2 4.26Å; L198-F203 HydrophobicContact CB-CD2 3.95Å; L198-F203 HydrophobicContact CB-CE2 4.42Å; L198-F203 HydrophobicContact CD1-CB 3.7Å; L198-F203 HydrophobicContact CD1-CD2 3.53Å; L198-F203 HydrophobicContact CD1-CE2 4.42Å; L198-F203 HydrophobicContact CD1-CG 3.78Å; L198-F203 HydrophobicContact CG-CD2 4.31Å; L198-L226 HydrophobicContact CD1-CG 4.4Å; L198-F231 HydrophobicContact CD2-CE2 4.28Å; L198-F231 HydrophobicContact CD2-CZ 4.29Å; L198-T311 HydrophobicContact CD1-CG2 4.44Å; L198-V335 PolarHBondContact N-O 3.04Å; L198-G336 CarbonylContact O-C 3.55Å; L198-G336 VanDerWaalsContact O-C 3.31Å; L198-G336 WeakPolarHBondContact O-CA 3.43Å; L198-S338 VanDerWaalsContact O-CB 3.26Å; L198-S338 WeakPolarHBondContact O-CB 3.26Å; L198-S338 PolarHBondContact O-N 3.17Å; L198-T339 HydrophobicContact CB-CG2 3.82Å; L198-V344 HydrophobicContact CD2-CG1 3.92Å; L198-V344 HydrophobicContact CD2-CG2 3.96Å
199G95.9Very high95.3Very high11 Ų1113 Ų1311%0.1138%0.076CC..  trans-89.9-155.3-175.500000114.3T202 G227 G228 S338G199-T202 PolarHBondContact N-O 3.37Å; G199-G227 WeakPolarHBondContact O-CA 3.38Å; G199-G228 PolarHBondContact O-N 3.21Å; G199-S338 PolarHBondContact O-OG 3.37Å
200G94.6Very high95.8Very high18 Ų1812.3 Ų12.319%0.1866%0.064CC..SBendtrans-77-31.8177.200000113.8T12 G227 G228 E229T12-G200 WeakPolarHBondContact OG1-CA 3.43Å; G200-G227 CarbonylContact O-C 3.51Å; G200-G228 PolarHBondContact O-N 3.27Å; G200-E229 WeakPolarHBondContact O-CG 3.42Å; G200-E229 PolarHBondContact O-N 2.63Å
201G92.3Very high95.9Very high0 Ų011.3 Ų11.30%06%0.059CC..SBendtrans-145.93.2178.800000116.3R70 T224R70-G201 PolarHBondContact NH2-O 3.01Å; G201-T224 CarbonylContact O-C 3.48Å; G201-T224 VanDerWaalsContact O-O 3.06Å
202T92.3Very high95.5Very high8 Ų813.9 Ų13.95%0.0498%0.079CC..  trans-133.3148.5178.2510000109.7P145 G199 L226P145-T202 HydrophobicContact CB-CG2 4.19Å; P145-T202 HydrophobicContact CG-CG2 3.74Å; G199-T202 PolarHBondContact N-O 3.37Å; T202-L226 CarbonylContact C-O 3.56Å
203F95.5Very high95.1Very high0 Ų015 Ų150%09%0.091CC..EExtended strand (participates in β ladder)trans-126.7118173.2175.7-129.1000109F196 D197 L198 V205 G222 D223 L226 T311 P314F196-F203 HydrophobicContact CD1-CE2 4.01Å; F196-F203 AromaticContact CD2-CE2 3.88Å; F196-F203 HydrophobicContact CD2-CE2 3.88Å; F196-F203 AromaticContact CD2-CZ 4Å; F196-F203 HydrophobicContact CD2-CZ 4Å; F196-F203 HydrophobicContact CE1-CD2 4.44Å; F196-F203 AromaticContact CE1-CE2 3.63Å; F196-F203 HydrophobicContact CE1-CE2 3.63Å; F196-F203 HydrophobicContact CE1-CZ 4.31Å; F196-F203 AromaticContact CE2-CE2 3.5Å; F196-F203 HydrophobicContact CE2-CE2 3.5Å; F196-F203 VanDerWaalsContact CE2-CE2 3.5Å; F196-F203 AromaticContact CE2-CZ 3.39Å; F196-F203 HydrophobicContact CE2-CZ 3.39Å; F196-F203 HydrophobicContact CG-CE2 4.13Å; F196-F203 HydrophobicContact CZ-CD2 4.42Å; F196-F203 AromaticContact CZ-CE2 3.36Å; F196-F203 HydrophobicContact CZ-CE2 3.36Å; F196-F203 AromaticContact CZ-CZ 3.58Å; F196-F203 HydrophobicContact CZ-CZ 3.58Å; D197-F203 CarbonylContact O-C 3.57Å; D197-F203 VanDerWaalsContact O-CA 3.3Å; D197-F203 WeakPolarHBondContact O-CA 3.44Å; D197-F203 VanDerWaalsContact O-CD2 3.26Å; D197-F203 WeakPolarHBondContact O-CD2 3.44Å; L198-F203 HydrophobicContact CB-CD2 3.95Å; L198-F203 HydrophobicContact CB-CE2 4.42Å; L198-F203 HydrophobicContact CD1-CB 3.7Å; L198-F203 HydrophobicContact CD1-CD2 3.53Å; L198-F203 HydrophobicContact CD1-CE2 4.42Å; L198-F203 HydrophobicContact CD1-CG 3.78Å; L198-F203 HydrophobicContact CG-CD2 4.31Å; F203-V205 HydrophobicContact CE1-CG2 3.88Å; F203-V205 HydrophobicContact CE2-CG2 3.69Å; F203-V205 HydrophobicContact CZ-CG2 3.24Å; F203-G222 CarbonylContact O-C 3.31Å; F203-G222 WeakPolarHBondContact O-CA 3.38Å; F203-D223 PolarHBondContact N-O 3.43Å; F203-D223 PolarHBondContact O-N 3.29Å; F203-L226 HydrophobicContact CB-CB 4.08Å; F203-L226 HydrophobicContact CB-CD2 4.25Å; F203-L226 HydrophobicContact CB-CG 4.22Å; F203-L226 WeakPolarHBondContact CB-O 3.06Å; F203-L226 HydrophobicContact CD1-CD2 3.95Å; F203-L226 HydrophobicContact CG-CD2 4.32Å; F203-L226 PolarHBondContact N-O 2.71Å; F203-T311 HydrophobicContact CE1-CG2 4.32Å; F203-T311 WeakPolarHBondContact CE1-O 3.42Å; F203-T311 HydrophobicContact CZ-CG2 4.42Å; F203-T311 VanDerWaalsContact CZ-O 3.26Å; F203-T311 WeakPolarHBondContact CZ-O 3.44Å; F203-P314 HydrophobicContact CD1-CB 4.35Å; F203-P314 HydrophobicContact CD1-CG 3.92Å; F203-P314 HydrophobicContact CE1-CB 3.73Å; F203-P314 HydrophobicContact CE1-CG 3.57Å; F203-P314 HydrophobicContact CZ-CB 4.48Å
204D95Very high94.8Very high1 Ų118.2 Ų18.21%0.00511%0.107CC..EExtended strand (participates in β ladder)trans-123.6144.3174.8-73-57.9000110.5P145 A146 Y147 P174 D197P145-D204 VanDerWaalsContact CA-OD2 3.23Å; P145-D204 WeakPolarHBondContact CA-OD2 3.43Å; P145-D204 VanDerWaalsContact CB-OD2 3.23Å; P145-D204 WeakPolarHBondContact CB-OD2 3.36Å; A146-D204 HydrophobicContact CB-CB 4.46Å; A146-D204 PolarHBondContact N-OD2 3.08Å; Y147-D204 PolarHBondContact N-OD1 3.12Å; P174-D204 HydrophobicContact CG-CB 4.17Å; D197-D204 HydrophobicContact CB-CB 4.37Å; D197-D204 PolarHBondContact N-O 2.83Å; D197-D204 PolarHBondContact O-N 2.9Å
205V97Very high94.6Very high0 Ų018.5 Ų18.50%011%0.109CC..EExtended strand (participates in β ladder)trans-127.4123171.9-177.50000107.9L194 I195 F196 F203 T220 A221 P314 V315 A318L194-V205 HydrophobicContact CD1-CG1 3.87Å; L194-V205 HydrophobicContact CD2-CG1 4.07Å; L194-V205 HydrophobicContact CG-CG1 3.93Å; I195-V205 WeakPolarHBondContact O-CA 3.44Å; F196-V205 HydrophobicContact CD2-CG2 4.26Å; F203-V205 HydrophobicContact CE1-CG2 3.88Å; F203-V205 HydrophobicContact CE2-CG2 3.69Å; F203-V205 HydrophobicContact CZ-CG2 3.24Å; V205-T220 WeakPolarHBondContact O-CA 3.45Å; V205-T220 PolarHBondContact O-OG1 3.21Å; V205-A221 PolarHBondContact N-O 3.38Å; V205-A221 PolarHBondContact O-N 2.86Å; V205-A221 VanDerWaalsContact O-O 3.08Å; V205-P314 HydrophobicContact CB-CB 4.46Å; V205-P314 HydrophobicContact CG2-CB 4.01Å; V205-V315 HydrophobicContact CG1-CG2 4.23Å; V205-V315 HydrophobicContact CG2-CG2 3.84Å; V205-A318 HydrophobicContact CG1-CB 3.93Å
206S97.2Very high94.5Very high1 Ų121.2 Ų21.21%0.00712%0.121CC..EExtended strand (participates in β ladder)trans-128.2139.8174.6-59.10000110.6P174 L194 I195 S219 T220P174-S206 WeakPolarHBondContact CB-OG 3.04Å; P174-S206 VanDerWaalsContact CG-OG 3.26Å; P174-S206 WeakPolarHBondContact CG-OG 3.28Å; L194-S206 WeakPolarHBondContact CA-O 3.09Å; I195-S206 PolarHBondContact N-O 3.33Å; I195-S206 PolarHBondContact O-N 3.02Å; I195-S206 VanDerWaalsContact O-N 3.08Å; S206-S219 WeakPolarHBondContact CA-O 3.21Å; S206-T220 PolarHBondContact OG-OG1 3.49Å; S206-T220 VanDerWaalsContact OG-OG1 3.04Å
207I98.3Very high94.4Very high0 Ų021.2 Ų21.20%012%0.122CC..EExtended strand (participates in β ladder)trans-106.4125.8171.2-64172.2000107V193 L194 K218 S219 A318 L319 A322 M324 I329V193-I207 WeakPolarHBondContact O-CA 3.46Å; L194-I207 HydrophobicContact CB-CG1 4.5Å; L194-I207 HydrophobicContact CD1-CG1 4.18Å; L194-I207 HydrophobicContact CG-CG1 4.38Å; I207-K218 HydrophobicContact CG2-CB 4.47Å; I207-K218 PolarHBondContact O-N 3.41Å; I207-S219 PolarHBondContact N-O 3.01Å; I207-S219 PolarHBondContact O-N 3.5Å; I207-A318 VanDerWaalsContact CD1-C 3.49Å; I207-A318 HydrophobicContact CD1-CB 3.95Å; I207-A318 HydrophobicContact CG1-CB 4.2Å; I207-L319 HydrophobicContact CD1-CB 4.37Å; I207-L319 HydrophobicContact CD1-CD2 3.78Å; I207-L319 HydrophobicContact CD1-CG 3.99Å; I207-A322 HydrophobicContact CB-CB 4.27Å; I207-A322 HydrophobicContact CD1-CB 3.89Å; I207-A322 HydrophobicContact CG2-CB 4.14Å; I207-M324 HydrophobicContact CG2-SD 3.84Å; I207-I329 HydrophobicContact CD1-CD1 4.17Å; I207-I329 HydrophobicContact CG1-CD1 4.35Å; I207-I329 HydrophobicContact CG2-CD1 3.91Å
208L97.2Very high94.4Very high0 Ų024 Ų240%013%0.133CC..EExtended strand (participates in β ladder)trans-122.2147.2178.5-60.292000110.3A178 N192 V193 I195 E216 V217A178-L208 HydrophobicContact CB-CD1 3.95Å; A178-L208 HydrophobicContact CB-CD2 3.54Å; A178-L208 HydrophobicContact CB-CG 4.32Å; N192-L208 CarbonylContact C-O 3.52Å; N192-L208 VanDerWaalsContact CA-O 3.31Å; N192-L208 WeakPolarHBondContact CA-O 3.27Å; V193-L208 PolarHBondContact N-O 2.8Å; V193-L208 PolarHBondContact O-N 3.42Å; I195-L208 HydrophobicContact CB-CD1 4.47Å; I195-L208 HydrophobicContact CD1-CD1 4.49Å; I195-L208 HydrophobicContact CG1-CD1 3.49Å; I195-L208 VanDerWaalsContact CG1-CD1 3.49Å; L208-E216 CarbonylContact C-O 3.57Å; L208-E216 WeakPolarHBondContact CA-O 3.26Å; L208-V217 HydrophobicContact CD2-CG2 3.67Å; L208-V217 HydrophobicContact CG-CB 4.44Å; L208-V217 HydrophobicContact CG-CG2 3.97Å
209T95.8Very high94.3Very high7 Ų724 Ų244%0.04313%0.133CC..EExtended strand (participates in β ladder)trans-102.5125.8163.9-59.40000107.9E190 R191 N192 E216 K218E190-T209 HydrophobicContact CG-CG2 3.29Å; R191-T209 CarbonylContact O-C 3.52Å; R191-T209 WeakPolarHBondContact O-CA 3.46Å; N192-T209 PolarHBondContact OD1-OG1 3.08Å; T209-E216 PolarHBondContact N-O 2.8Å; T209-E216 PolarHBondContact O-N 3.48Å; T209-K218 WeakPolarHBondContact OG1-CE 3.47Å; T209-K218 WeakPolarHBondContact OG1-CG 3.28Å
210I93.2Very high94.2Very high23 Ų2323.5 Ų23.512%0.11813%0.128CC..EExtended strand (participates in β ladder)trans-114.2119.7179.2-53.2175.7000107.9Y181 R191 V193 I214 F215Y181-I210 HydrophobicContact CD1-CD1 3.9Å; Y181-I210 HydrophobicContact CE1-CD1 4.08Å; R191-I210 PolarHBondContact N-O 3.4Å; R191-I210 PolarHBondContact O-N 2.85Å; V193-I210 HydrophobicContact CB-CD1 4.41Å; V193-I210 HydrophobicContact CG2-CD1 3.82Å; V193-I210 HydrophobicContact CG2-CG1 4.4Å; I210-I214 WeakPolarHBondContact CA-O 3.21Å; I210-F215 HydrophobicContact CD1-CD1 3.89Å; I210-F215 HydrophobicContact CD1-CE1 3.76Å; I210-F215 HydrophobicContact CG1-CD1 3.82Å; I210-F215 HydrophobicContact CG1-CE1 4.08Å; I210-F215 HydrophobicContact CG2-CD1 4.19Å; I210-F215 HydrophobicContact CG2-CE1 3.91Å; I210-F215 HydrophobicContact CG2-CZ 4.09Å
211E91.7Very high94Very high84 Ų8422.6 Ų22.639%0.39312%0.119SC..EExtended strand (participates in β ladder)trans-148.7124.4179.9-174.9177-152.800109.5G213 I214E211-G213 VanDerWaalsContact C-N 3.28Å; E211-G213 PolarHBondContact O-N 3.22Å; E211-G213 VanDerWaalsContact O-N 3.08Å; E211-I214 PolarHBondContact N-O 3.34Å; E211-I214 WeakPolarHBondContact O-CA 3.36Å; E211-I214 VanDerWaalsContact O-CB 3.3Å; E211-I214 WeakPolarHBondContact O-CB 3.42Å; E211-I214 PolarHBondContact O-N 2.93Å
212D86.7Confident93.8Very high130 Ų13023.4 Ų23.470%0.69513%0.128SC*.THydrogen-bonded Turntrans45.644.7173.5-63.5-23.6000115.2I214D212-I214 VanDerWaalsContact C-N 3.29Å; D212-I214 PolarHBondContact O-N 3.37Å
213G86.9Confident93.5Very high27 Ų2726.3 Ų26.328%0.27814%0.143SC..THydrogen-bonded Turntrans83.2-4.4-179.900000115E211 F215 L389 L390E211-G213 VanDerWaalsContact C-N 3.28Å; E211-G213 PolarHBondContact O-N 3.22Å; E211-G213 VanDerWaalsContact O-N 3.08Å; G213-F215 WeakPolarHBondContact O-CD2 3.41Å; G213-L389 WeakPolarHBondContact O-CA 3.4Å; G213-L390 PolarHBondContact O-N 3.34Å
214I91.5Very high92.8Very high68 Ų6827.3 Ų27.335%0.34915%0.149SC..EExtended strand (participates in β ladder)trans-88.5122.6173.8-53.3175.3000109.1I210 E211 D212 L390 L392I210-I214 WeakPolarHBondContact CA-O 3.21Å; E211-I214 PolarHBondContact N-O 3.34Å; E211-I214 WeakPolarHBondContact O-CA 3.36Å; E211-I214 VanDerWaalsContact O-CB 3.3Å; E211-I214 WeakPolarHBondContact O-CB 3.42Å; E211-I214 PolarHBondContact O-N 2.93Å; D212-I214 VanDerWaalsContact C-N 3.29Å; D212-I214 PolarHBondContact O-N 3.37Å; I214-L390 WeakPolarHBondContact CA-O 3.5Å; I214-L390 HydrophobicContact CG1-CB 4.34Å; I214-L390 HydrophobicContact CG1-CD2 4.47Å; I214-L390 HydrophobicContact CG2-CD2 4.44Å; I214-L392 HydrophobicContact CG2-CD1 4.17Å
215F94.1Very high92.3Very high6 Ų629.3 Ų29.33%0.02616%0.158CC..EExtended strand (participates in β ladder)trans-108.9100.2174.6-67.4-103.6000108.3A178 I179 I210 G213 L389 L390 L391 L392A178-F215 HydrophobicContact CB-CD1 4.42Å; A178-F215 WeakPolarHBondContact O-CE1 3.39Å; I179-F215 HydrophobicContact CG1-CD1 4.49Å; I210-F215 HydrophobicContact CD1-CD1 3.89Å; I210-F215 HydrophobicContact CD1-CE1 3.76Å; I210-F215 HydrophobicContact CG1-CD1 3.82Å; I210-F215 HydrophobicContact CG1-CE1 4.08Å; I210-F215 HydrophobicContact CG2-CD1 4.19Å; I210-F215 HydrophobicContact CG2-CE1 3.91Å; I210-F215 HydrophobicContact CG2-CZ 4.09Å; G213-F215 WeakPolarHBondContact O-CD2 3.41Å; F215-L389 HydrophobicContact CD2-CD1 4.19Å; F215-L389 HydrophobicContact CD2-CD2 4.16Å; F215-L389 HydrophobicContact CD2-CG 3.84Å; F215-L389 HydrophobicContact CE2-CD1 3.67Å; F215-L389 HydrophobicContact CE2-CD2 4.45Å; F215-L389 HydrophobicContact CE2-CG 3.69Å; F215-L389 HydrophobicContact CZ-CD1 4.3Å; F215-L390 PolarHBondContact N-O 2.91Å; F215-L391 HydrophobicContact CB-CD1 3.9Å; F215-L392 PolarHBondContact O-N 3.13Å
216E95.6Very high92Very high57 Ų5729.6 Ų29.627%0.26616%0.16SC..EExtended strand (participates in β ladder)trans-107.8114.1-177.7-169.3-170.1158.200111.1L208 T209 K218 L392L208-E216 CarbonylContact C-O 3.57Å; L208-E216 WeakPolarHBondContact CA-O 3.26Å; T209-E216 PolarHBondContact N-O 2.8Å; T209-E216 PolarHBondContact O-N 3.48Å; E216-K218 HydrophobicContact CG-CD 4.46Å; E216-K218 PolarHBondContact O-N 3.5Å; E216-K218 IonicContact OE1-NZ 2.72Å; E216-K218 PolarHBondContact OE1-NZ 2.97Å; E216-K218 WeakPolarHBondContact OE2-CE 3.46Å; E216-K218 IonicContact OE2-NZ 2.69Å; E216-K218 PolarHBondContact OE2-NZ 3.35Å; E216-L392 HydrophobicContact CB-CB 4.34Å; E216-L392 HydrophobicContact CB-CD1 4.42Å; E216-L392 HydrophobicContact CG-CB 4.04Å; E216-L392 HydrophobicContact CG-CD1 4.13Å
217V96.6Very high91.9Very high1 Ų129.5 Ų29.51%0.00616%0.159CC..EExtended strand (participates in β ladder)trans-71.9120.1172.4-173.10000108.8T175 L208 L392 V394T175-V217 HydrophobicContact CG2-CG2 4.47Å; L208-V217 HydrophobicContact CD2-CG2 3.67Å; L208-V217 HydrophobicContact CG-CB 4.44Å; L208-V217 HydrophobicContact CG-CG2 3.97Å; V217-L392 PolarHBondContact N-O 3.29Å; V217-V394 HydrophobicContact CB-CG1 4.22Å; V217-V394 HydrophobicContact CB-CG2 4.17Å; V217-V394 HydrophobicContact CG1-CG1 4.49Å; V217-V394 HydrophobicContact CG1-CG2 3.64Å; V217-V394 WeakPolarHBondContact O-CG1 3.48Å
218K97.5Very high91.9Very high61 Ų6129.7 Ų29.727%0.26516%0.161SC..EExtended strand (participates in β ladder)trans-89.7-34.4177.7-61.6-62179.91790112.2I207 T209 E216 A322 M324I207-K218 HydrophobicContact CG2-CB 4.47Å; I207-K218 PolarHBondContact O-N 3.41Å; T209-K218 WeakPolarHBondContact OG1-CE 3.47Å; T209-K218 WeakPolarHBondContact OG1-CG 3.28Å; E216-K218 HydrophobicContact CG-CD 4.46Å; E216-K218 PolarHBondContact O-N 3.5Å; E216-K218 IonicContact OE1-NZ 2.72Å; E216-K218 PolarHBondContact OE1-NZ 2.97Å; E216-K218 WeakPolarHBondContact OE2-CE 3.46Å; E216-K218 IonicContact OE2-NZ 2.69Å; E216-K218 PolarHBondContact OE2-NZ 3.35Å; K218-A322 HydrophobicContact CB-CB 4.02Å; K218-M324 HydrophobicContact CG-CE 4.1Å
219S96Very high91.8Very high0 Ų029.9 Ų29.90%016%0.162CC..EExtended strand (participates in β ladder)trans-160.9150.7177.1650000111.7S206 I207 A318 N415S206-S219 WeakPolarHBondContact CA-O 3.21Å; I207-S219 PolarHBondContact N-O 3.01Å; I207-S219 PolarHBondContact O-N 3.5Å; S219-A318 PolarHBondContact OG-O 3.35Å; S219-N415 WeakPolarHBondContact CA-OD1 3.44Å
220T93.3Very high91.8Very high1 Ų130.6 Ų30.61%0.00617%0.165CC..EExtended strand (participates in β ladder)trans-132.4145.1169-168.30000111.9A146 Y147 V205 S206 V394 P396 R414 N415A146-T220 HydrophobicContact CB-CG2 4.45Å; A146-T220 VanDerWaalsContact CB-OG1 3.3Å; A146-T220 WeakPolarHBondContact CB-OG1 3.16Å; Y147-T220 HydrophobicContact CE2-CG2 4.39Å; V205-T220 WeakPolarHBondContact O-CA 3.45Å; V205-T220 PolarHBondContact O-OG1 3.21Å; S206-T220 PolarHBondContact OG-OG1 3.49Å; S206-T220 VanDerWaalsContact OG-OG1 3.04Å; T220-V394 HydrophobicContact CG2-CG2 4.16Å; T220-P396 HydrophobicContact CG2-CB 3.68Å; T220-R414 PolarHBondContact O-NH2 3.34Å; T220-N415 PolarHBondContact N-OD1 3.29Å; T220-N415 VanDerWaalsContact N-OD1 3.14Å
221A90.6Very high92.1Very high0 Ų029.5 Ų29.50%016%0.16CC..EExtended strand (participates in β ladder)trans-147.2157.1178.700000108.6Y147 V205 P314 K317 A318Y147-A221 VanDerWaalsContact CE2-CA 3.42Å; V205-A221 PolarHBondContact N-O 3.38Å; V205-A221 PolarHBondContact O-N 2.86Å; V205-A221 VanDerWaalsContact O-O 3.08Å; A221-P314 HydrophobicContact CB-CB 3.95Å; A221-P314 VanDerWaalsContact CB-O 3.31Å; A221-P314 WeakPolarHBondContact CB-O 3.33Å; A221-K317 HydrophobicContact CB-CB 4.19Å; A221-K317 HydrophobicContact CB-CD 4.1Å; A221-K317 HydrophobicContact CB-CG 4.18Å; A221-A318 HydrophobicContact CB-CB 4.17Å
222G88.5Confident92.3Very high17 Ų1725.6 Ų25.618%0.17514%0.142CC..EExtended strand (participates in β ladder)trans179.6-179.5179.300000113.7F203F203-G222 CarbonylContact O-C 3.31Å; F203-G222 WeakPolarHBondContact O-CA 3.38Å
223D84.4Confident92.8Very high69 Ų6920.1 Ų20.137%0.36911%0.112SC..EExtended strand (participates in β ladder)trans-135.4116.8170.3-174-12.9000108.8F203 H225 L226F203-D223 PolarHBondContact N-O 3.43Å; F203-D223 PolarHBondContact O-N 3.29Å; D223-H225 PolarHBondContact O-N 2.85Å; D223-H225 PolarHBondContact OD1-N 3.38Å; D223-L226 HydrophobicContact CB-CB 3.91Å
224T81.2Confident93.3Very high20 Ų2022.4 Ų22.412%0.12311%0.112CC..THydrogen-bonded Turntrans-761.1-17864.30000113.6R74 G201R74-T224 PolarHBondContact NH2-OG1 2.78Å; R74-T224 VanDerWaalsContact NH2-OG1 3.11Å; G201-T224 CarbonylContact O-C 3.48Å; G201-T224 VanDerWaalsContact O-O 3.06Å
225H84.6Confident93.6Very high43 Ų4319.2 Ų19.220%0.19910%0.096CC..THydrogen-bonded Turntrans-135.337.1-179.9-55.294.3000111.9R74 S80 D84 D223R74-H225 PolarHBondContact NH2-CE1 3.02Å; S80-H225 WeakPolarHBondContact CB-CE1 3.48Å; S80-H225 WeakPolarHBondContact CB-NE2 3.24Å; S80-H225 PolarHBondContact OG-CE1 3.12Å; S80-H225 VanDerWaalsContact OG-CE1 3.23Å; S80-H225 PolarHBondContact OG-NE2 3.35Å; D84-H225 IonicContact OD2-CD2 3.59Å; D223-H225 PolarHBondContact O-N 2.85Å; D223-H225 PolarHBondContact OD1-N 3.38Å
226L91.6Very high93.8Very high6 Ų619.3 Ų19.33%0.03110%0.097CC..  trans-130.1113.6173.6177.660000109.7L198 T202 F203 D223 D230 F231 L307 T311L198-L226 HydrophobicContact CD1-CG 4.4Å; T202-L226 CarbonylContact C-O 3.56Å; F203-L226 HydrophobicContact CB-CB 4.08Å; F203-L226 HydrophobicContact CB-CD2 4.25Å; F203-L226 HydrophobicContact CB-CG 4.22Å; F203-L226 WeakPolarHBondContact CB-O 3.06Å; F203-L226 HydrophobicContact CD1-CD2 3.95Å; F203-L226 HydrophobicContact CG-CD2 4.32Å; F203-L226 PolarHBondContact N-O 2.71Å; D223-L226 HydrophobicContact CB-CB 3.91Å; L226-D230 WeakPolarHBondContact CA-OD2 3.36Å; L226-F231 HydrophobicContact CD1-CE1 4.18Å; L226-F231 HydrophobicContact CD1-CZ 4.42Å; L226-L307 HydrophobicContact CD1-CB 3.93Å; L226-L307 HydrophobicContact CD1-CD2 4.11Å; L226-L307 HydrophobicContact CD1-CG 4.44Å; L226-T311 HydrophobicContact CD2-CG2 3.87Å
227G95.2Very high93.8Very high0 Ų019.7 Ų19.70%010%0.101CC..SBendtrans-172.7-163.1176.100000114G199 G200 E229 D230 F231G199-G227 WeakPolarHBondContact O-CA 3.38Å; G200-G227 CarbonylContact O-C 3.51Å; G227-E229 VanDerWaalsContact C-N 3.29Å; G227-E229 PolarHBondContact O-N 3.19Å; G227-D230 PolarHBondContact N-OD2 3.2Å; G227-D230 PolarHBondContact O-N 2.66Å; G227-D230 VanDerWaalsContact O-N 3.1Å; G227-F231 WeakPolarHBondContact O-CD2 3.38Å; G227-F231 PolarHBondContact O-N 3.18Å
228G96.9Very high93.9Very high3 Ų321.6 Ų21.63%0.03111%0.11CC..Hα-helixtrans-52.5-39.9-178.200000114.9G199 G200 D230 F231 D232 K269 S338G199-G228 PolarHBondContact O-N 3.21Å; G200-G228 PolarHBondContact O-N 3.27Å; G228-D230 VanDerWaalsContact C-N 3.33Å; G228-F231 PolarHBondContact O-N 2.99Å; G228-D232 VanDerWaalsContact O-CG 3.31Å; G228-D232 PolarHBondContact O-N 3.41Å; G228-K269 PolarHBondContact O-NZ 2.8Å; G228-S338 WeakPolarHBondContact CA-OG 3.47Å; G228-S338 PolarHBondContact N-OG 3.37Å
229E95.6Very high94Very high4 Ų418.7 Ų18.72%0.01910%0.097CC..Hα-helixtrans-66.5-33.5179.8-71.9-62.3149.700112.2G200 G227 F231 D232 N233 R262G200-E229 WeakPolarHBondContact O-CG 3.42Å; G200-E229 PolarHBondContact O-N 2.63Å; G227-E229 VanDerWaalsContact C-N 3.29Å; G227-E229 PolarHBondContact O-N 3.19Å; E229-F231 VanDerWaalsContact C-N 3.34Å; E229-D232 PolarHBondContact O-N 2.85Å; E229-N233 WeakPolarHBondContact O-CB 3.38Å; E229-N233 PolarHBondContact O-N 2.84Å; E229-N233 PolarHBondContact O-ND2 3.4Å; E229-R262 IonicContact OE2-NH1 3.63Å
230D96.6Very high94Very high23 Ų2318.8 Ų18.812%0.12310%0.098CC..Hα-helixtrans-70-36.7178.3-54.1-66000110.6R70 L226 G227 G228 N233 R234 L307R70-D230 IonicContact CZ-OD2 2.83Å; R70-D230 IonicContact NH1-OD1 3.4Å; R70-D230 IonicContact NH2-OD1 3.67Å; R70-D230 PolarHBondContact NH2-OD1 3.07Å; R70-D230 IonicContact NH2-OD2 2.69Å; R70-D230 PolarHBondContact NH2-OD2 3.42Å; L226-D230 WeakPolarHBondContact CA-OD2 3.36Å; G227-D230 PolarHBondContact N-OD2 3.2Å; G227-D230 PolarHBondContact O-N 2.66Å; G227-D230 VanDerWaalsContact O-N 3.1Å; G228-D230 VanDerWaalsContact C-N 3.33Å; D230-N233 PolarHBondContact O-N 2.88Å; D230-R234 WeakPolarHBondContact O-CG 3.44Å; D230-R234 PolarHBondContact O-N 3.27Å; D230-R234 VanDerWaalsContact O-N 3.14Å; D230-L307 HydrophobicContact CB-CD1 4.17Å
231F98.1Very high94.3Very high0 Ų024.9 Ų24.90%012%0.124CC..Hα-helixtrans-66.2-39.4172-49.6-36.1000112L198 L226 G227 G228 E229 R234 M235 K269 F300 N304 L307 F308 I341L198-F231 HydrophobicContact CD2-CE2 4.28Å; L198-F231 HydrophobicContact CD2-CZ 4.29Å; L226-F231 HydrophobicContact CD1-CE1 4.18Å; L226-F231 HydrophobicContact CD1-CZ 4.42Å; G227-F231 WeakPolarHBondContact O-CD2 3.38Å; G227-F231 PolarHBondContact O-N 3.18Å; G228-F231 PolarHBondContact O-N 2.99Å; E229-F231 VanDerWaalsContact C-N 3.34Å; F231-R234 PolarHBondContact O-N 3.31Å; F231-M235 PolarHBondContact O-N 2.9Å; F231-K269 HydrophobicContact CB-CD 3.95Å; F231-K269 HydrophobicContact CD2-CD 4.49Å; F231-F300 HydrophobicContact CB-CE2 4.17Å; F231-F300 HydrophobicContact CB-CZ 4.25Å; F231-N304 WeakPolarHBondContact CA-OD1 3.43Å; F231-N304 HydrophobicContact CD1-CB 4.26Å; F231-L307 HydrophobicContact CD1-CB 4.36Å; F231-L307 HydrophobicContact CD1-CD1 3.84Å; F231-L307 HydrophobicContact CE1-CB 3.82Å; F231-L307 HydrophobicContact CE1-CD1 4.03Å; F231-F308 AromaticContact CD1-CE1 3.93Å; F231-F308 HydrophobicContact CD1-CE1 3.93Å; F231-F308 HydrophobicContact CD2-CE1 4.33Å; F231-F308 AromaticContact CE1-CD1 3.86Å; F231-F308 HydrophobicContact CE1-CD1 3.86Å; F231-F308 AromaticContact CE1-CE1 3.58Å; F231-F308 HydrophobicContact CE1-CE1 3.58Å; F231-F308 HydrophobicContact CE2-CE1 4.02Å; F231-F308 HydrophobicContact CG-CE1 4.32Å; F231-F308 AromaticContact CZ-CD1 3.96Å; F231-F308 HydrophobicContact CZ-CD1 3.96Å; F231-F308 AromaticContact CZ-CE1 3.64Å; F231-F308 HydrophobicContact CZ-CE1 3.64Å; F231-I341 HydrophobicContact CD2-CD1 3.63Å; F231-I341 HydrophobicContact CE2-CD1 3.71Å
232D97.3Very high94.6Very high2 Ų226.6 Ų26.61%0.01113%0.132CC..Hα-helixtrans-65.2-41.3175.6-66.5-26.2000110.9G228 E229 R234 M235 V236 E266 K269G228-D232 VanDerWaalsContact O-CG 3.31Å; G228-D232 PolarHBondContact O-N 3.41Å; E229-D232 PolarHBondContact O-N 2.85Å; D232-R234 VanDerWaalsContact C-N 3.35Å; D232-R234 PolarHBondContact O-N 3.21Å; D232-M235 WeakPolarHBondContact O-CB 3.19Å; D232-M235 PolarHBondContact O-N 2.66Å; D232-M235 VanDerWaalsContact O-N 3.15Å; D232-V236 WeakPolarHBondContact O-CG2 3.47Å; D232-V236 PolarHBondContact O-N 3.35Å; D232-E266 WeakPolarHBondContact OD1-CA 3.31Å; D232-K269 VanDerWaalsContact OD1-CD 3.25Å; D232-K269 WeakPolarHBondContact OD1-CD 3.46Å; D232-K269 VanDerWaalsContact OD1-CE 3.22Å; D232-K269 WeakPolarHBondContact OD1-CE 3.3Å; D232-K269 IonicContact OD1-NZ 3.31Å; D232-K269 PolarHBondContact OD1-NZ 3.45Å; D232-K269 IonicContact OD2-NZ 2.72Å; D232-K269 PolarHBondContact OD2-NZ 2.98Å
233N96.1Very high95.1Very high14 Ų1425.8 Ų25.88%0.07512%0.124CC..Hα-helixtrans-57.7-44.3175.5-74.5-30.4000111.9H87 E229 D230 M235 V236 D237 R262H87-N233 PolarHBondContact ND1-OD1 3.17Å; E229-N233 WeakPolarHBondContact O-CB 3.38Å; E229-N233 PolarHBondContact O-N 2.84Å; E229-N233 PolarHBondContact O-ND2 3.4Å; D230-N233 PolarHBondContact O-N 2.88Å; N233-M235 VanDerWaalsContact C-N 3.31Å; N233-M235 PolarHBondContact O-N 3.43Å; N233-V236 PolarHBondContact O-N 2.96Å; N233-D237 WeakPolarHBondContact O-CB 3.49Å; N233-D237 PolarHBondContact O-N 3.33Å; N233-R262 PolarHBondContact OD1-NH1 3.31Å; N233-R262 PolarHBondContact OD1-NH2 3.42Å
234R97.5Very high95.7Very high76 Ų7625.9 Ų25.929%0.28712%0.122SC..Hα-helixtrans-61-39.5175.8-66-62-174.588.8-0.5112.5D230 F231 D232 H238 L303 N304 D306 L307D230-R234 WeakPolarHBondContact O-CG 3.44Å; D230-R234 PolarHBondContact O-N 3.27Å; D230-R234 VanDerWaalsContact O-N 3.14Å; F231-R234 PolarHBondContact O-N 3.31Å; D232-R234 VanDerWaalsContact C-N 3.35Å; D232-R234 PolarHBondContact O-N 3.21Å; R234-H238 WeakPolarHBondContact O-CB 3.33Å; R234-H238 PolarHBondContact O-N 3Å; R234-H238 VanDerWaalsContact O-N 3.11Å; R234-L303 PolarHBondContact NH1-O 3.33Å; R234-N304 WeakPolarHBondContact CB-OD1 3.47Å; R234-N304 VanDerWaalsContact CG-OD1 3.27Å; R234-N304 WeakPolarHBondContact CG-OD1 3.27Å; R234-D306 IonicContact CZ-OD1 3.96Å; R234-D306 IonicContact CZ-OD2 3.74Å; R234-D306 IonicContact NH1-OD1 2.94Å; R234-D306 PolarHBondContact NH1-OD1 3.3Å; R234-D306 IonicContact NH1-OD2 3.59Å; R234-D306 PolarHBondContact NH1-OD2 3.36Å; R234-D306 IonicContact NH2-OD1 2.94Å; R234-D306 IonicContact NH2-OD2 2.87Å; R234-D306 PolarHBondContact NH2-OD2 3.2Å; R234-L307 HydrophobicContact CG-CD1 4.06Å
235M98.3Very high96.5Very high0 Ų034.1 Ų34.10%016%0.156CC..Hα-helixtrans-68.1-45.9176-69179.964.800111.6F231 D232 N233 D237 H238 F239 C265 A268 K269 I295 F300F231-M235 PolarHBondContact O-N 2.9Å; D232-M235 WeakPolarHBondContact O-CB 3.19Å; D232-M235 PolarHBondContact O-N 2.66Å; D232-M235 VanDerWaalsContact O-N 3.15Å; N233-M235 VanDerWaalsContact C-N 3.31Å; N233-M235 PolarHBondContact O-N 3.43Å; M235-D237 PolarHBondContact O-N 3.25Å; M235-H238 WeakPolarHBondContact O-CB 3.34Å; M235-H238 PolarHBondContact O-N 2.87Å; M235-F239 HydrophobicContact CB-CD2 4.42Å; M235-F239 HydrophobicContact CB-CE2 4.31Å; M235-F239 HydrophobicContact CE-CE2 4.09Å; M235-F239 WeakPolarHBondContact O-CD2 3.2Å; M235-F239 PolarHBondContact O-N 2.98Å; M235-C265 HydrophobicContact CB-CB 3.85Å; M235-C265 HydrophobicContact CE-CB 4.16Å; M235-C265 WeakPolarHBondContact CE-O 3.33Å; M235-C265 HydrophobicContact SD-CB 4.5Å; M235-A268 HydrophobicContact CE-CB 3.83Å; M235-K269 HydrophobicContact SD-CB 3.89Å; M235-I295 HydrophobicContact CE-CD1 4.24Å; M235-F300 HydrophobicContact CG-CD2 3.92Å; M235-F300 HydrophobicContact CG-CE2 4.23Å; M235-F300 HydrophobicContact SD-CD2 3.51Å; M235-F300 VanDerWaalsContact SD-CD2 3.51Å; M235-F300 HydrophobicContact SD-CE2 3.67Å
236V97.7Very high97.1Very high8 Ų837.1 Ų37.15%0.04817%0.169CC..Hα-helixtrans-57.9-49.2177171.90000110.4D232 N233 H238 F239 V240 L258 L261 R262 C265D232-V236 WeakPolarHBondContact O-CG2 3.47Å; D232-V236 PolarHBondContact O-N 3.35Å; N233-V236 PolarHBondContact O-N 2.96Å; V236-H238 VanDerWaalsContact C-N 3.29Å; V236-H238 PolarHBondContact O-N 3.2Å; V236-F239 PolarHBondContact O-N 2.85Å; V236-V240 HydrophobicContact CG1-CG2 4.09Å; V236-V240 WeakPolarHBondContact O-CB 3.47Å; V236-V240 VanDerWaalsContact O-CG2 3.23Å; V236-V240 WeakPolarHBondContact O-CG2 3.42Å; V236-V240 PolarHBondContact O-N 3.02Å; V236-L258 HydrophobicContact CG1-CD2 4.34Å; V236-L261 HydrophobicContact CG1-CD2 4.33Å; V236-R262 HydrophobicContact CG2-CB 3.88Å; V236-R262 HydrophobicContact CG2-CG 4.25Å; V236-C265 HydrophobicContact CG2-CB 4.19Å
237D97.3Very high97.3Very high66 Ų6640.8 Ų40.835%0.35318%0.183SC..Hα-helixtrans-60.4-38.9178.5-79.4-16.1000112.8N233 M235 K241N233-D237 WeakPolarHBondContact O-CB 3.49Å; N233-D237 PolarHBondContact O-N 3.33Å; M235-D237 PolarHBondContact O-N 3.25Å; D237-K241 VanDerWaalsContact O-CG 3.32Å; D237-K241 WeakPolarHBondContact O-CG 3.41Å; D237-K241 PolarHBondContact O-N 2.98Å
238H98.2Very high97.3Very high40 Ų4047.9 Ų47.919%0.18522%0.22CC..Hα-helixtrans-62.5-49.5175.7178.448.7000111.3R234 M235 V236 K241 E242 R299 L303R234-H238 WeakPolarHBondContact O-CB 3.33Å; R234-H238 PolarHBondContact O-N 3Å; R234-H238 VanDerWaalsContact O-N 3.11Å; M235-H238 WeakPolarHBondContact O-CB 3.34Å; M235-H238 PolarHBondContact O-N 2.87Å; V236-H238 VanDerWaalsContact C-N 3.29Å; V236-H238 PolarHBondContact O-N 3.2Å; H238-K241 PolarHBondContact O-N 2.88Å; H238-E242 PolarHBondContact O-N 3.29Å; H238-R299 PolarHBondContact CE1-NH2 3.39Å; H238-L303 HydrophobicContact CB-CD1 3.96Å; H238-L303 HydrophobicContact CB-CD2 4.1Å
239F98.4Very high97.2Very high1 Ų151 Ų510%0.00423%0.233CC..Hα-helixtrans-76.9-27.4-176.4-69-56.2000114M235 V236 K241 E242 F243 L261 L280 F291 T293 I295M235-F239 HydrophobicContact CB-CD2 4.42Å; M235-F239 HydrophobicContact CB-CE2 4.31Å; M235-F239 HydrophobicContact CE-CE2 4.09Å; M235-F239 WeakPolarHBondContact O-CD2 3.2Å; M235-F239 PolarHBondContact O-N 2.98Å; V236-F239 PolarHBondContact O-N 2.85Å; F239-K241 VanDerWaalsContact C-N 3.32Å; F239-E242 PolarHBondContact O-N 2.99Å; F239-F243 WeakPolarHBondContact O-CB 3.32Å; F239-F243 PolarHBondContact O-N 2.96Å; F239-L261 HydrophobicContact CB-CD1 3.85Å; F239-L261 HydrophobicContact CB-CD2 4.02Å; F239-L261 HydrophobicContact CB-CG 4.43Å; F239-L261 HydrophobicContact CD2-CD1 4.49Å; F239-L261 HydrophobicContact CG-CD1 4.45Å; F239-L280 HydrophobicContact CD2-CD2 3.77Å; F239-L280 HydrophobicContact CE1-CD1 4.32Å; F239-L280 HydrophobicContact CE2-CD1 3.79Å; F239-L280 HydrophobicContact CE2-CD2 3.52Å; F239-L280 HydrophobicContact CE2-CG 4.34Å; F239-L280 HydrophobicContact CG-CD2 4.45Å; F239-L280 HydrophobicContact CZ-CD1 3.53Å; F239-L280 HydrophobicContact CZ-CD2 4.02Å; F239-L280 HydrophobicContact CZ-CG 4.42Å; F239-F291 HydrophobicContact CB-CE1 4.01Å; F239-F291 HydrophobicContact CB-CZ 4.26Å; F239-F291 HydrophobicContact CD1-CE1 4.13Å; F239-F291 HydrophobicContact CD1-CZ 4.07Å; F239-F291 HydrophobicContact CG-CE1 4.26Å; F239-T293 HydrophobicContact CD1-CG2 3.76Å; F239-T293 HydrophobicContact CE1-CG2 3.46Å; F239-T293 VanDerWaalsContact CE1-CG2 3.46Å; F239-T293 HydrophobicContact CZ-CG2 4.23Å; F239-I295 HydrophobicContact CE2-CD1 4.14Å; F239-I295 HydrophobicContact CZ-CB 3.92Å; F239-I295 HydrophobicContact CZ-CD1 3.7Å; F239-I295 HydrophobicContact CZ-CG1 4.37Å; F239-I295 HydrophobicContact CZ-CG2 4.22Å
240V97.8Very high97.2Very high2 Ų254.2 Ų54.21%0.01225%0.251CS..Hα-helixtrans-59.9-45.7168.2167.30000110V236 E242 F243 Q244 I251 R252 L258 L261V236-V240 HydrophobicContact CG1-CG2 4.09Å; V236-V240 WeakPolarHBondContact O-CB 3.47Å; V236-V240 VanDerWaalsContact O-CG2 3.23Å; V236-V240 WeakPolarHBondContact O-CG2 3.42Å; V236-V240 PolarHBondContact O-N 3.02Å; V240-E242 VanDerWaalsContact C-N 3.35Å; V240-F243 PolarHBondContact O-N 2.8Å; V240-Q244 WeakPolarHBondContact O-CB 2.99Å; V240-Q244 PolarHBondContact O-N 3.12Å; V240-I251 HydrophobicContact CG1-CG1 4.45Å; V240-I251 HydrophobicContact CG2-CD1 4.19Å; V240-I251 HydrophobicContact CG2-CG1 4.08Å; V240-R252 HydrophobicContact CG1-CG 3.78Å; V240-L258 HydrophobicContact CG2-CD2 3.67Å; V240-L261 HydrophobicContact CG2-CD2 3.78Å
241K98.1Very high97.1Very high128 Ų12853.1 Ų53.156%0.55725%0.245SC*.Hα-helixtrans-65.3-39.1176.2-69.5169.4-175.41710111.7D237 H238 F239 K245D237-K241 VanDerWaalsContact O-CG 3.32Å; D237-K241 WeakPolarHBondContact O-CG 3.41Å; D237-K241 PolarHBondContact O-N 2.98Å; H238-K241 PolarHBondContact O-N 2.88Å; F239-K241 VanDerWaalsContact C-N 3.32Å; K241-K245 WeakPolarHBondContact O-CB 3.47Å; K241-K245 PolarHBondContact O-N 2.88Å
242E97.8Very high96.9Very high36 Ų3658.3 Ų58.317%0.16826%0.264CS..Hα-helixtrans-65-45.9176.7-170-176.9136.700112.1H238 F239 V240 Q244 K245 K246 F291 T293H238-E242 PolarHBondContact O-N 3.29Å; F239-E242 PolarHBondContact O-N 2.99Å; V240-E242 VanDerWaalsContact C-N 3.35Å; E242-Q244 VanDerWaalsContact C-N 3.34Å; E242-Q244 PolarHBondContact O-N 3.32Å; E242-K245 PolarHBondContact O-N 2.98Å; E242-K246 HydrophobicContact CG-CD 4.11Å; E242-K246 HydrophobicContact CG-CG 4.47Å; E242-K246 WeakPolarHBondContact O-CB 3.38Å; E242-K246 PolarHBondContact O-N 3.2Å; E242-K246 VanDerWaalsContact OE1-CE 3.26Å; E242-K246 WeakPolarHBondContact OE1-CE 3.34Å; E242-K246 IonicContact OE1-NZ 3.46Å; E242-K246 PolarHBondContact OE1-NZ 3.18Å; E242-F291 HydrophobicContact CB-CZ 4.47Å; E242-F291 HydrophobicContact CG-CZ 4.47Å; E242-T293 WeakPolarHBondContact OE1-CB 3.45Å; E242-T293 PolarHBondContact OE1-OG1 2.95Å
243F97.8Very high96.6Very high0 Ų063.5 Ų63.50%030%0.301CS..Hα-helixtrans-60.1-45.8176.1-173.9-91.8000110.9F239 V240 K245 K246 Y247 K249 I251 L285 C286 I289 F291F239-F243 WeakPolarHBondContact O-CB 3.32Å; F239-F243 PolarHBondContact O-N 2.96Å; V240-F243 PolarHBondContact O-N 2.8Å; F243-K245 VanDerWaalsContact C-N 3.31Å; F243-K245 PolarHBondContact O-N 3.18Å; F243-K246 PolarHBondContact O-N 2.83Å; F243-Y247 AromaticContact CD2-CD2 3.5Å; F243-Y247 HydrophobicContact CD2-CD2 3.5Å; F243-Y247 AromaticContact CD2-CE2 3.83Å; F243-Y247 HydrophobicContact CD2-CE2 3.83Å; F243-Y247 AromaticContact CE2-CD2 3.56Å; F243-Y247 HydrophobicContact CE2-CD2 3.56Å; F243-Y247 AromaticContact CE2-CE2 3.97Å; F243-Y247 HydrophobicContact CE2-CE2 3.97Å; F243-Y247 HydrophobicContact CE2-CG 4.25Å; F243-Y247 HydrophobicContact CG-CD2 4Å; F243-Y247 HydrophobicContact CZ-CD2 4.11Å; F243-Y247 HydrophobicContact CZ-CG 4.43Å; F243-Y247 WeakPolarHBondContact O-CD2 3.22Å; F243-Y247 PolarHBondContact O-N 3.02Å; F243-K249 WeakPolarHBondContact CD1-O 3.26Å; F243-K249 HydrophobicContact CE1-CB 3.85Å; F243-I251 HydrophobicContact CD1-CG2 3.61Å; F243-I251 HydrophobicContact CE1-CG2 3.42Å; F243-I251 VanDerWaalsContact CE1-CG2 3.42Å; F243-I251 HydrophobicContact CZ-CG2 4.25Å; F243-L285 HydrophobicContact CD2-CD2 3.8Å; F243-L285 HydrophobicContact CE2-CB 4.47Å; F243-L285 HydrophobicContact CE2-CD2 3.94Å; F243-L285 HydrophobicContact CE2-CG 4.46Å; F243-L285 HydrophobicContact CG-CD2 4.43Å; F243-C286 HydrophobicContact CE1-CB 4.11Å; F243-C286 HydrophobicContact CZ-CB 3.86Å; F243-I289 HydrophobicContact CE2-CB 4.48Å; F243-I289 HydrophobicContact CE2-CG2 4.01Å; F243-I289 HydrophobicContact CZ-CB 4.28Å; F243-I289 HydrophobicContact CZ-CG2 4.18Å; F243-F291 HydrophobicContact CB-CE2 4.21Å; F243-F291 HydrophobicContact CB-CZ 4.5Å; F243-F291 HydrophobicContact CD2-CB 4.15Å; F243-F291 AromaticContact CD2-CD2 3.61Å; F243-F291 HydrophobicContact CD2-CD2 3.61Å; F243-F291 HydrophobicContact CD2-CE2 4.13Å; F243-F291 AromaticContact CD2-CG 3.93Å; F243-F291 HydrophobicContact CD2-CG 3.93Å; F243-F291 HydrophobicContact CE2-CB 4.29Å; F243-F291 HydrophobicContact CE2-CD2 4.38Å
244Q97.4Very high96.5Very high72 Ų7265.5 Ų65.534%0.33631%0.312SS..Hα-helixtrans-59-41.7175-173.2175.212.100112V240 E242 N248 K249 R252V240-Q244 WeakPolarHBondContact O-CB 2.99Å; V240-Q244 PolarHBondContact O-N 3.12Å; E242-Q244 VanDerWaalsContact C-N 3.34Å; E242-Q244 PolarHBondContact O-N 3.32Å; Q244-N248 WeakPolarHBondContact O-CA 3.25Å; Q244-N248 PolarHBondContact O-N 3.33Å; Q244-K249 VanDerWaalsContact CA-O 3.26Å; Q244-K249 WeakPolarHBondContact CA-O 3.46Å; Q244-R252 VanDerWaalsContact OE1-NH1 3.15Å
245K97.5Very high96.3Very high192 Ų19266.5 Ų66.584%0.83532%0.318SS*.Hα-helixtrans-68-41.3177.4-177-179.1176.6-176.90112.8K241 E242 F243K241-K245 WeakPolarHBondContact O-CB 3.47Å; K241-K245 PolarHBondContact O-N 2.88Å; E242-K245 PolarHBondContact O-N 2.98Å; F243-K245 VanDerWaalsContact C-N 3.31Å; F243-K245 PolarHBondContact O-N 3.18Å
246K97.3Very high96.1Very high107 Ų10773.4 Ų73.447%0.46534%0.344SS..Hα-helixtrans-75.4-37.7-176.5-77.8179.7171.4174.10112.8E242 F243 F291E242-K246 HydrophobicContact CG-CD 4.11Å; E242-K246 HydrophobicContact CG-CG 4.47Å; E242-K246 WeakPolarHBondContact O-CB 3.38Å; E242-K246 PolarHBondContact O-N 3.2Å; E242-K246 VanDerWaalsContact OE1-CE 3.26Å; E242-K246 WeakPolarHBondContact OE1-CE 3.34Å; E242-K246 IonicContact OE1-NZ 3.46Å; E242-K246 PolarHBondContact OE1-NZ 3.18Å; F243-K246 PolarHBondContact O-N 2.83Å; K246-F291 HydrophobicContact CD-CE2 4.39Å
247Y96.4Very high95.9Very high83 Ų8373 Ų7333%0.32534%0.342SS..Hα-helixtrans-122.41.5-169.3-53.8-77.2000114.2F243 K249 I289 D290 F291F243-Y247 AromaticContact CD2-CD2 3.5Å; F243-Y247 HydrophobicContact CD2-CD2 3.5Å; F243-Y247 AromaticContact CD2-CE2 3.83Å; F243-Y247 HydrophobicContact CD2-CE2 3.83Å; F243-Y247 AromaticContact CE2-CD2 3.56Å; F243-Y247 HydrophobicContact CE2-CD2 3.56Å; F243-Y247 AromaticContact CE2-CE2 3.97Å; F243-Y247 HydrophobicContact CE2-CE2 3.97Å; F243-Y247 HydrophobicContact CE2-CG 4.25Å; F243-Y247 HydrophobicContact CG-CD2 4Å; F243-Y247 HydrophobicContact CZ-CD2 4.11Å; F243-Y247 HydrophobicContact CZ-CG 4.43Å; F243-Y247 WeakPolarHBondContact O-CD2 3.22Å; F243-Y247 PolarHBondContact O-N 3.02Å; Y247-K249 PolarHBondContact O-N 3.36Å; Y247-I289 HydrophobicContact CD1-CD1 4.36Å; Y247-I289 HydrophobicContact CD1-CG2 3.47Å; Y247-I289 VanDerWaalsContact CD1-CG2 3.47Å; Y247-I289 HydrophobicContact CD2-CG2 4.16Å; Y247-I289 HydrophobicContact CE1-CG2 3.51Å; Y247-I289 HydrophobicContact CE2-CG2 4.24Å; Y247-I289 HydrophobicContact CG-CD1 4.39Å; Y247-I289 HydrophobicContact CG-CG2 3.79Å; Y247-D290 PolarHBondContact OH-O 3.32Å; Y247-F291 AromaticContact CE2-CD2 3.86Å; Y247-F291 HydrophobicContact CE2-CD2 3.86Å; Y247-F291 HydrophobicContact CE2-CE2 4.32Å
248N95.2Very high95.8Very high148 Ų14872 Ų7279%0.79134%0.336SS*.SBendtrans54.635.6-178.9-162.241.8000113.7Q244Q244-N248 WeakPolarHBondContact O-CA 3.25Å; Q244-N248 PolarHBondContact O-N 3.33Å
249K95.1Very high95.7Very high70 Ų7070.5 Ų70.530%0.30433%0.329SS..  trans-130.6131.4178-71.8-170-177.5-173.20110.9F243 Q244 Y247 D287 I289F243-K249 WeakPolarHBondContact CD1-O 3.26Å; F243-K249 HydrophobicContact CE1-CB 3.85Å; Q244-K249 VanDerWaalsContact CA-O 3.26Å; Q244-K249 WeakPolarHBondContact CA-O 3.46Å; Y247-K249 PolarHBondContact O-N 3.36Å; K249-D287 WeakPolarHBondContact CD-OD2 3.32Å; K249-D287 WeakPolarHBondContact CE-OD2 3.07Å; K249-D287 IonicContact NZ-OD2 3.56Å; K249-D287 PolarHBondContact NZ-OD2 3.39Å; K249-I289 HydrophobicContact CD-CD1 3.94Å
250D95.1Very high95.5Very high71 Ų7173.5 Ų73.538%0.3834%0.34SS..  trans-94.3123.7172.8-169.3-7.5000109.8R252D250-R252 WeakPolarHBondContact OD1-CB 3.41Å; D250-R252 WeakPolarHBondContact OD1-CG 3.23Å; D250-R252 IonicContact OD1-CZ 2.67Å; D250-R252 PolarHBondContact OD1-N 3.13Å; D250-R252 IonicContact OD1-NH1 2.73Å; D250-R252 PolarHBondContact OD1-NH1 3.12Å; D250-R252 IonicContact OD2-CZ 3.85Å; D250-R252 IonicContact OD2-NH1 3.86Å; D250-R252 PolarHBondContact OD2-NH1 3.38Å
251I95.7Very high95.5Very high0 Ų073.4 Ų73.40%034%0.339CS..  trans-97.41.4-179.263.1171.4000113V240 F243 S253 N254 A257 L258 L261 L285 C286V240-I251 HydrophobicContact CG1-CG1 4.45Å; V240-I251 HydrophobicContact CG2-CD1 4.19Å; V240-I251 HydrophobicContact CG2-CG1 4.08Å; F243-I251 HydrophobicContact CD1-CG2 3.61Å; F243-I251 HydrophobicContact CE1-CG2 3.42Å; F243-I251 VanDerWaalsContact CE1-CG2 3.42Å; F243-I251 HydrophobicContact CZ-CG2 4.25Å; I251-S253 PolarHBondContact O-N 3.43Å; I251-S253 VanDerWaalsContact O-N 3.15Å; I251-N254 PolarHBondContact O-N 2.94Å; I251-A257 HydrophobicContact CB-CB 4.19Å; I251-A257 HydrophobicContact CD1-CB 4.45Å; I251-A257 HydrophobicContact CG2-CB 4.47Å; I251-L258 HydrophobicContact CD1-CD2 4.34Å; I251-L258 HydrophobicContact CG1-CD2 4.17Å; I251-L261 HydrophobicContact CD1-CD2 3.94Å; I251-L285 HydrophobicContact CD1-CD2 4.1Å; I251-L285 HydrophobicContact CD1-CG 4.47Å; I251-C286 HydrophobicContact CG2-CB 3.63Å
252R93.4Very high95.4Very high108 Ų10868 Ų6841%0.40832%0.316SS..THydrogen-bonded Turntrans-56.8-31.6-175.9-75.2173.5-171.6101.74.4114.1V240 Q244 D250 L258V240-R252 HydrophobicContact CG1-CG 3.78Å; Q244-R252 VanDerWaalsContact OE1-NH1 3.15Å; D250-R252 WeakPolarHBondContact OD1-CB 3.41Å; D250-R252 WeakPolarHBondContact OD1-CG 3.23Å; D250-R252 IonicContact OD1-CZ 2.67Å; D250-R252 PolarHBondContact OD1-N 3.13Å; D250-R252 IonicContact OD1-NH1 2.73Å; D250-R252 PolarHBondContact OD1-NH1 3.12Å; D250-R252 IonicContact OD2-CZ 3.85Å; D250-R252 IonicContact OD2-NH1 3.86Å; D250-R252 PolarHBondContact OD2-NH1 3.38Å; R252-L258 WeakPolarHBondContact O-CD1 3.24Å
253S91.3Very high95.3Very high112 Ų11268.9 Ų68.978%0.78332%0.323SS*.THydrogen-bonded Turntrans-83.6-14.1176.756.40000113.4I251 K255I251-S253 PolarHBondContact O-N 3.43Å; I251-S253 VanDerWaalsContact O-N 3.15Å; S253-K255 PolarHBondContact O-N 3.41Å
254N93.8Very high95.3Very high56 Ų5669.8 Ų69.830%0.29933%0.331SS..  trans-92.493.1-179.1-173.6-25.7000110.4I251 R256 A257 L258I251-N254 PolarHBondContact O-N 2.94Å; N254-R256 VanDerWaalsContact C-N 3.27Å; N254-R256 PolarHBondContact O-N 2.83Å; N254-R256 PolarHBondContact OD1-N 2.95Å; N254-A257 HydrophobicContact CB-CB 3.89Å; N254-A257 VanDerWaalsContact CG-CB 3.5Å; N254-A257 PolarHBondContact O-N 2.84Å; N254-A257 PolarHBondContact OD1-N 3.37Å; N254-L258 PolarHBondContact O-N 2.87Å
255K92.7Very high95.3Very high97 Ų9766.3 Ų66.342%0.42232%0.315SS..Hα-helixtrans-56.7-37.3-177.9-63.1-175.3178.2-171.40113.3P61 T62 P89 S253 R259P61-K255 HydrophobicContact CG-CB 4.24Å; T62-K255 HydrophobicContact CG2-CD 3.39Å; P89-K255 HydrophobicContact CB-CB 4.45Å; P89-K255 HydrophobicContact CB-CD 4.36Å; P89-K255 WeakPolarHBondContact O-CD 3.49Å; P89-K255 WeakPolarHBondContact O-CE 3.39Å; P89-K255 PolarHBondContact O-NZ 3.22Å; S253-K255 PolarHBondContact O-N 3.41Å; K255-R259 WeakPolarHBondContact O-CB 3.43Å; K255-R259 PolarHBondContact O-N 2.87Å
256R93.2Very high95.3Very high144 Ų14457.6 Ų57.654%0.54328%0.277SS..Hα-helixtrans-66.8-49177.4176.5167.5-174.3-159.20.8111.2A58 N254 R259 R260A58-R256 WeakPolarHBondContact O-CG 3.43Å; N254-R256 VanDerWaalsContact C-N 3.27Å; N254-R256 PolarHBondContact O-N 2.83Å; N254-R256 PolarHBondContact OD1-N 2.95Å; R256-R259 PolarHBondContact O-N 2.81Å; R256-R260 VanDerWaalsContact O-CG 3.31Å; R256-R260 WeakPolarHBondContact O-CG 3.32Å; R256-R260 PolarHBondContact O-N 3.09Å
257A95.5Very high95.3Very high1 Ų161.7 Ų61.71%0.00829%0.29CS..Hα-helixtrans-60-47.8177.400000111.3I251 N254 R259 R260 L261 L285I251-A257 HydrophobicContact CB-CB 4.19Å; I251-A257 HydrophobicContact CD1-CB 4.45Å; I251-A257 HydrophobicContact CG2-CB 4.47Å; N254-A257 HydrophobicContact CB-CB 3.89Å; N254-A257 VanDerWaalsContact CG-CB 3.5Å; N254-A257 PolarHBondContact O-N 2.84Å; N254-A257 PolarHBondContact OD1-N 3.37Å; A257-R259 PolarHBondContact O-N 2.69Å; A257-R260 PolarHBondContact O-N 3.37Å; A257-L261 PolarHBondContact O-N 2.9Å; A257-L285 HydrophobicContact CB-CD1 4.04Å; A257-L285 HydrophobicContact CB-CG 4.46Å; A257-L285 WeakPolarHBondContact CB-O 3.22Å; A257-L285 WeakPolarHBondContact O-CD1 3.43Å
258L95.2Very high95.4Very high45 Ų4557.9 Ų57.924%0.23628%0.275CS..Hα-helixtrans-59.1-43.2177.1-77.9-177.8000112.8V236 V240 I251 R252 N254 L261 R262V236-L258 HydrophobicContact CG1-CD2 4.34Å; V240-L258 HydrophobicContact CG2-CD2 3.67Å; I251-L258 HydrophobicContact CD1-CD2 4.34Å; I251-L258 HydrophobicContact CG1-CD2 4.17Å; R252-L258 WeakPolarHBondContact O-CD1 3.24Å; N254-L258 PolarHBondContact O-N 2.87Å; L258-L261 PolarHBondContact O-N 3.02Å; L258-R262 WeakPolarHBondContact O-CB 3.18Å; L258-R262 PolarHBondContact O-N 2.75Å
259R94.5Very high95.5Very high7 Ų751.6 Ų51.63%0.02624%0.241CC..Hα-helixtrans-66.3-39.1179.5-177.763.9-142.5-174.30.6112.2Y39 V57 P61 K255 R256 A257 R262 T263Y39-R259 PolarHBondContact OH-NH1 3.33Å; Y39-R259 PolarHBondContact OH-NH2 3.03Å; V57-R259 HydrophobicContact CB-CG 4.48Å; V57-R259 HydrophobicContact CG1-CG 3.98Å; V57-R259 HydrophobicContact CG2-CG 3.89Å; P61-R259 HydrophobicContact CB-CB 4.22Å; P61-R259 HydrophobicContact CB-CG 4.42Å; K255-R259 WeakPolarHBondContact O-CB 3.43Å; K255-R259 PolarHBondContact O-N 2.87Å; R256-R259 PolarHBondContact O-N 2.81Å; A257-R259 PolarHBondContact O-N 2.69Å; R259-R262 PolarHBondContact O-N 3.39Å; R259-T263 PolarHBondContact NE-OG1 3.37Å; R259-T263 PolarHBondContact O-N 3.35Å; R259-T263 PolarHBondContact O-OG1 3.19Å
260R95.8Very high95.6Very high64 Ų6454 Ų5424%0.24225%0.248CC..Hα-helixtrans-63.5-44.2174.5-68.1176.672.5-151.8-1111A58 R256 A257 T263 A264 I282 D283 S284 L285A58-R260 HydrophobicContact CB-CG 3.95Å; R256-R260 VanDerWaalsContact O-CG 3.31Å; R256-R260 WeakPolarHBondContact O-CG 3.32Å; R256-R260 PolarHBondContact O-N 3.09Å; A257-R260 PolarHBondContact O-N 3.37Å; R260-T263 PolarHBondContact O-N 3.3Å; R260-A264 PolarHBondContact O-N 3.24Å; R260-I282 HydrophobicContact CB-CG2 4.26Å; R260-D283 PolarHBondContact NH1-O 3.2Å; R260-D283 PolarHBondContact NH2-O 3.22Å; R260-S284 PolarHBondContact NH1-O 3.11Å; R260-L285 HydrophobicContact CB-CD1 4.39Å
261L97.5Very high95.8Very high0 Ų052.8 Ų52.80%024%0.243CC..Hα-helixtrans-60.9-45.7174.9179.859.8000112.2V236 F239 V240 I251 A257 L258 T263 A264 C265 L280 I282 L285 F291V236-L261 HydrophobicContact CG1-CD2 4.33Å; F239-L261 HydrophobicContact CB-CD1 3.85Å; F239-L261 HydrophobicContact CB-CD2 4.02Å; F239-L261 HydrophobicContact CB-CG 4.43Å; F239-L261 HydrophobicContact CD2-CD1 4.49Å; F239-L261 HydrophobicContact CG-CD1 4.45Å; V240-L261 HydrophobicContact CG2-CD2 3.78Å; I251-L261 HydrophobicContact CD1-CD2 3.94Å; A257-L261 PolarHBondContact O-N 2.9Å; L258-L261 PolarHBondContact O-N 3.02Å; L261-T263 VanDerWaalsContact C-N 3.34Å; L261-T263 PolarHBondContact O-N 3.42Å; L261-A264 PolarHBondContact O-N 2.97Å; L261-C265 PolarHBondContact O-N 3.33Å; L261-C265 PolarHBondContact O-SG 3.44Å; L261-L280 HydrophobicContact CD1-CD2 4.38Å; L261-I282 HydrophobicContact CB-CD1 4.28Å; L261-I282 HydrophobicContact CD1-CD1 3.82Å; L261-L285 HydrophobicContact CB-CD1 4.36Å; L261-F291 HydrophobicContact CD1-CD1 4.37Å; L261-F291 HydrophobicContact CD1-CE1 4.22Å
262R96.1Very high95.9Very high16 Ų1652.9 Ų52.96%0.0624%0.243CC..Hα-helixtrans-58.3-45.7175.7-178.7-179.4-66.4-76.6-3.3112.1H87 E229 N233 V236 L258 R259 A264 C265 E266H87-R262 PolarHBondContact O-NH2 3.02Å; E229-R262 IonicContact OE2-NH1 3.63Å; N233-R262 PolarHBondContact OD1-NH1 3.31Å; N233-R262 PolarHBondContact OD1-NH2 3.42Å; V236-R262 HydrophobicContact CG2-CB 3.88Å; V236-R262 HydrophobicContact CG2-CG 4.25Å; L258-R262 WeakPolarHBondContact O-CB 3.18Å; L258-R262 PolarHBondContact O-N 2.75Å; R259-R262 PolarHBondContact O-N 3.39Å; R262-A264 VanDerWaalsContact C-N 3.3Å; R262-A264 PolarHBondContact O-N 3.18Å; R262-C265 WeakPolarHBondContact O-CB 3.08Å; R262-C265 PolarHBondContact O-N 3.01Å; R262-C265 VanDerWaalsContact O-N 3.08Å; R262-E266 PolarHBondContact O-N 2.78Å
263T95.1Very high96Very high53 Ų5349.1 Ų49.133%0.32523%0.234SC..Hα-helixtrans-60.8-41.2178.1-53.60000111.1R259 R260 L261 R267R259-T263 PolarHBondContact NE-OG1 3.37Å; R259-T263 PolarHBondContact O-N 3.35Å; R259-T263 PolarHBondContact O-OG1 3.19Å; R260-T263 PolarHBondContact O-N 3.3Å; L261-T263 VanDerWaalsContact C-N 3.34Å; L261-T263 PolarHBondContact O-N 3.42Å; T263-R267 WeakPolarHBondContact O-CB 3.36Å; T263-R267 PolarHBondContact O-N 2.89Å; T263-R267 VanDerWaalsContact O-N 3.11Å
264A97.5Very high96.3Very high19 Ų1948.6 Ų48.616%0.15723%0.23CC..Hα-helixtrans-66.7-36.4173.600000112.6R260 L261 R262 R267 A268 L280 I282R260-A264 PolarHBondContact O-N 3.24Å; L261-A264 PolarHBondContact O-N 2.97Å; R262-A264 VanDerWaalsContact C-N 3.3Å; R262-A264 PolarHBondContact O-N 3.18Å; A264-R267 PolarHBondContact O-N 3.19Å; A264-A268 VanDerWaalsContact O-CB 3.26Å; A264-A268 WeakPolarHBondContact O-CB 3.44Å; A264-A268 PolarHBondContact O-N 2.96Å; A264-L280 HydrophobicContact CB-CD2 4.14Å; A264-I282 HydrophobicContact CB-CD1 3.6Å; A264-I282 HydrophobicContact CB-CG1 3.87Å
265C98.2Very high96.5Very high0 Ų048.1 Ų48.10%023%0.231CC..Hα-helixtrans-65.6-47.2175.6-670000112M235 V236 L261 R262 R267 A268 K269M235-C265 HydrophobicContact CB-CB 3.85Å; M235-C265 HydrophobicContact CE-CB 4.16Å; M235-C265 WeakPolarHBondContact CE-O 3.33Å; M235-C265 HydrophobicContact SD-CB 4.5Å; V236-C265 HydrophobicContact CG2-CB 4.19Å; L261-C265 PolarHBondContact O-N 3.33Å; L261-C265 PolarHBondContact O-SG 3.44Å; R262-C265 WeakPolarHBondContact O-CB 3.08Å; R262-C265 PolarHBondContact O-N 3.01Å; R262-C265 VanDerWaalsContact O-N 3.08Å; C265-R267 VanDerWaalsContact C-N 3.31Å; C265-R267 PolarHBondContact O-N 2.86Å; C265-A268 PolarHBondContact O-N 3.31Å; C265-K269 WeakPolarHBondContact O-CB 3.36Å; C265-K269 PolarHBondContact O-N 3.2Å
266E97Very high96.7Very high9 Ų947 Ų474%0.04224%0.24CC..Hα-helixtrans-56.8-46.6175.5-176.5-165.8169.800110.4K54 D232 R262 K269 R270K54-E266 IonicContact NZ-OE1 2.63Å; K54-E266 PolarHBondContact NZ-OE1 2.91Å; K54-E266 IonicContact NZ-OE2 2.79Å; K54-E266 PolarHBondContact NZ-OE2 3.33Å; D232-E266 WeakPolarHBondContact OD1-CA 3.31Å; R262-E266 PolarHBondContact O-N 2.78Å; E266-K269 PolarHBondContact O-N 3.01Å; E266-R270 WeakPolarHBondContact O-CG 3.46Å; E266-R270 PolarHBondContact O-N 3.33Å; E266-R270 VanDerWaalsContact O-N 3.08Å; E266-R270 IonicContact OE1-CZ 2.89Å; E266-R270 VanDerWaalsContact OE1-CZ 3.28Å; E266-R270 IonicContact OE1-NH1 3.54Å; E266-R270 IonicContact OE1-NH2 3.53Å; E266-R270 PolarHBondContact OE1-NH2 3.43Å
267R96.9Very high96.9Very high193 Ų19345.8 Ų45.873%0.72824%0.24SC*.Hα-helixtrans-61.5-47.8176.5-174178.1-178.1-177.80.7111.5T263 A264 C265 K269 R270 T271T263-R267 WeakPolarHBondContact O-CB 3.36Å; T263-R267 PolarHBondContact O-N 2.89Å; T263-R267 VanDerWaalsContact O-N 3.11Å; A264-R267 PolarHBondContact O-N 3.19Å; C265-R267 VanDerWaalsContact C-N 3.31Å; C265-R267 PolarHBondContact O-N 2.86Å; R267-K269 PolarHBondContact O-N 3.38Å; R267-R270 PolarHBondContact O-N 2.93Å; R267-T271 PolarHBondContact O-N 3.26Å; R267-T271 PolarHBondContact O-OG1 2.94Å; R267-T271 VanDerWaalsContact O-OG1 3.12Å
268A98.3Very high97.1Very high2 Ų246.9 Ų46.92%0.01725%0.247CC..Hα-helixtrans-61.1-44.6178.300000111.7M235 A264 C265 R270 T271 L272 T278 L280 I295M235-A268 HydrophobicContact CE-CB 3.83Å; A264-A268 VanDerWaalsContact O-CB 3.26Å; A264-A268 WeakPolarHBondContact O-CB 3.44Å; A264-A268 PolarHBondContact O-N 2.96Å; C265-A268 PolarHBondContact O-N 3.31Å; A268-R270 VanDerWaalsContact C-N 3.32Å; A268-R270 PolarHBondContact O-N 3.28Å; A268-T271 PolarHBondContact O-N 3.4Å; A268-L272 WeakPolarHBondContact O-CB 3.5Å; A268-L272 VanDerWaalsContact O-CG 3.25Å; A268-L272 WeakPolarHBondContact O-CG 3.49Å; A268-L272 PolarHBondContact O-N 2.98Å; A268-T278 HydrophobicContact CB-CG2 3.62Å; A268-L280 HydrophobicContact CB-CD1 3.87Å; A268-L280 HydrophobicContact CB-CG 4.03Å; A268-I295 HydrophobicContact CB-CG2 4.42Å
269K98.1Very high97.2Very high17 Ų1748.7 Ų48.77%0.07426%0.257CS..Hα-helixtrans-54.7-46.7175.1179.6-174.372.6-161.30111.8G228 F231 D232 M235 C265 E266 R267 L272 S273 F300G228-K269 PolarHBondContact O-NZ 2.8Å; F231-K269 HydrophobicContact CB-CD 3.95Å; F231-K269 HydrophobicContact CD2-CD 4.49Å; D232-K269 VanDerWaalsContact OD1-CD 3.25Å; D232-K269 WeakPolarHBondContact OD1-CD 3.46Å; D232-K269 VanDerWaalsContact OD1-CE 3.22Å; D232-K269 WeakPolarHBondContact OD1-CE 3.3Å; D232-K269 IonicContact OD1-NZ 3.31Å; D232-K269 PolarHBondContact OD1-NZ 3.45Å; D232-K269 IonicContact OD2-NZ 2.72Å; D232-K269 PolarHBondContact OD2-NZ 2.98Å; M235-K269 HydrophobicContact SD-CB 3.89Å; C265-K269 WeakPolarHBondContact O-CB 3.36Å; C265-K269 PolarHBondContact O-N 3.2Å; E266-K269 PolarHBondContact O-N 3.01Å; R267-K269 PolarHBondContact O-N 3.38Å; K269-L272 PolarHBondContact O-N 2.86Å; K269-S273 PolarHBondContact O-N 3.18Å; K269-S273 PolarHBondContact O-OG 3.42Å; K269-F300 HydrophobicContact CB-CE2 4.5Å; K269-F300 HydrophobicContact CD-CE2 4.38Å; K269-F300 HydrophobicContact CD-CZ 4.26Å; K269-F300 HydrophobicContact CG-CE2 3.94Å; K269-F300 HydrophobicContact CG-CZ 3.77Å
270R97.1Very high97.3Very high119 Ų11948.5 Ų48.545%0.44926%0.256SS..Hα-helixtrans-61.9-49.8176.8-72.5-176.5179164.313.4111.5Y13 E266 R267 A268 L272 S273Y13-R270 PolarHBondContact OH-NH1 3.47Å; Y13-R270 VanDerWaalsContact OH-NH1 3.14Å; Y13-R270 PolarHBondContact OH-NH2 3.19Å; E266-R270 WeakPolarHBondContact O-CG 3.46Å; E266-R270 PolarHBondContact O-N 3.33Å; E266-R270 VanDerWaalsContact O-N 3.08Å; E266-R270 IonicContact OE1-CZ 2.89Å; E266-R270 VanDerWaalsContact OE1-CZ 3.28Å; E266-R270 IonicContact OE1-NH1 3.54Å; E266-R270 IonicContact OE1-NH2 3.53Å; E266-R270 PolarHBondContact OE1-NH2 3.43Å; R267-R270 PolarHBondContact O-N 2.93Å; A268-R270 VanDerWaalsContact C-N 3.32Å; A268-R270 PolarHBondContact O-N 3.28Å; R270-L272 VanDerWaalsContact C-N 3.26Å; R270-L272 PolarHBondContact O-N 3.07Å; R270-S273 VanDerWaalsContact O-CB 3.25Å; R270-S273 WeakPolarHBondContact O-CB 3.48Å; R270-S273 PolarHBondContact O-N 2.69Å; R270-S273 PolarHBondContact O-OG 2.63Å
271T98Very high97.3Very high46 Ų4651.1 Ų51.128%0.28227%0.272SS..Hα-helixtrans-58.3-38.8177-54.80000111.9R267 A268 S273 S274 S275R267-T271 PolarHBondContact O-N 3.26Å; R267-T271 PolarHBondContact O-OG1 2.94Å; R267-T271 VanDerWaalsContact O-OG1 3.12Å; A268-T271 PolarHBondContact O-N 3.4Å; T271-S273 PolarHBondContact O-N 3.34Å; T271-S274 PolarHBondContact O-N 3.48Å; T271-S274 VanDerWaalsContact O-N 3.17Å; T271-S274 PolarHBondContact O-OG 2.88Å; T271-S275 WeakPolarHBondContact O-CB 3.33Å; T271-S275 PolarHBondContact O-N 2.85Å
272L98.4Very high97.3Very high2 Ų251.6 Ų51.61%0.0127%0.274CS..Hα-helixtrans-65.6-15.9177.4-71.8177000113.7A268 K269 R270 S274 S275 T278 I295 R297 F300A268-L272 WeakPolarHBondContact O-CB 3.5Å; A268-L272 VanDerWaalsContact O-CG 3.25Å; A268-L272 WeakPolarHBondContact O-CG 3.49Å; A268-L272 PolarHBondContact O-N 2.98Å; K269-L272 PolarHBondContact O-N 2.86Å; R270-L272 VanDerWaalsContact C-N 3.26Å; R270-L272 PolarHBondContact O-N 3.07Å; L272-S274 VanDerWaalsContact C-N 3.3Å; L272-S275 CarbonylContact C-O 3.49Å; L272-S275 WeakPolarHBondContact CA-O 3.3Å; L272-S275 VanDerWaalsContact O-O 3.05Å; L272-T278 HydrophobicContact CD1-CG2 4.49Å; L272-T278 HydrophobicContact CD2-CG2 3.95Å; L272-T278 HydrophobicContact CG-CG2 3.85Å; L272-I295 HydrophobicContact CD1-CG1 4.37Å; L272-I295 HydrophobicContact CD1-CG2 4.05Å; L272-R297 HydrophobicContact CD2-CB 4.18Å; L272-R297 PolarHBondContact O-NE 3.38Å; L272-R297 PolarHBondContact O-NH2 3.28Å; L272-F300 HydrophobicContact CD1-CB 3.54Å; L272-F300 HydrophobicContact CD1-CD1 4.38Å; L272-F300 HydrophobicContact CD1-CG 3.91Å
273S96.3Very high97.3Very high30 Ų3055.2 Ų55.221%0.2129%0.294CS..Hα-helixtrans-72.1-25.7175.5-58.50000112.4K269 R270 T271 P342K269-S273 PolarHBondContact O-N 3.18Å; K269-S273 PolarHBondContact O-OG 3.42Å; R270-S273 VanDerWaalsContact O-CB 3.25Å; R270-S273 WeakPolarHBondContact O-CB 3.48Å; R270-S273 PolarHBondContact O-N 2.69Å; R270-S273 PolarHBondContact O-OG 2.63Å; T271-S273 PolarHBondContact O-N 3.34Å; S273-P342 VanDerWaalsContact O-CG 3.25Å; S273-P342 WeakPolarHBondContact O-CG 3.31Å
274S96.5Very high97.4Very high100 Ų10055.8 Ų55.870%0.69930%0.3SS*.Hα-helixtrans-110.5-29.517553.70000113.1T271 L272 R297T271-S274 PolarHBondContact O-N 3.48Å; T271-S274 VanDerWaalsContact O-N 3.17Å; T271-S274 PolarHBondContact O-OG 2.88Å; L272-S274 VanDerWaalsContact C-N 3.3Å; S274-R297 PolarHBondContact O-NH2 2.9Å; S274-R297 VanDerWaalsContact O-NH2 3.12Å
275S97.8Very high97.3Very high47 Ų4755.1 Ų55.133%0.32929%0.294SS..SBendtrans-108.1148.7-176.2-61.70000113.6T271 L272 Q277 R297T271-S275 WeakPolarHBondContact O-CB 3.33Å; T271-S275 PolarHBondContact O-N 2.85Å; L272-S275 CarbonylContact C-O 3.49Å; L272-S275 WeakPolarHBondContact CA-O 3.3Å; L272-S275 VanDerWaalsContact O-O 3.05Å; S275-Q277 VanDerWaalsContact C-N 3.28Å; S275-Q277 WeakPolarHBondContact CB-O 3.46Å; S275-Q277 PolarHBondContact O-N 2.67Å; S275-R297 VanDerWaalsContact N-NH2 3.18Å; S275-R297 PolarHBondContact O-NE 3.07Å; S275-R297 PolarHBondContact O-NH2 3.24Å
276A97.8Very high97.1Very high72 Ų7255.6 Ų55.660%0.59530%0.297SS*.SBendtrans-73.9-19.3179.100000113.4T296 R297A276-T296 WeakPolarHBondContact O-CA 3.46Å; A276-R297 WeakPolarHBondContact O-CB 3.35Å; A276-R297 PolarHBondContact O-N 3.12Å
277Q98.2Very high96.9Very high119 Ų11960.6 Ų60.656%0.55633%0.325SS*.EExtended strand (participates in β ladder)trans-154.9163177.167.6-178.120.700110.6S275 I295 T296S275-Q277 VanDerWaalsContact C-N 3.28Å; S275-Q277 WeakPolarHBondContact CB-O 3.46Å; S275-Q277 PolarHBondContact O-N 2.67Å; Q277-I295 CarbonylContact C-O 3.51Å; Q277-I295 VanDerWaalsContact CA-O 3.3Å; Q277-I295 WeakPolarHBondContact CA-O 3.49Å; Q277-T296 HydrophobicContact CB-CG2 4.28Å
278T98.3Very high96.7Very high25 Ų2554.1 Ų54.115%0.15332%0.318CS..EExtended strand (participates in β ladder)trans-154.5160.1172.8-1720000110.2A268 L272 I295A268-T278 HydrophobicContact CB-CG2 3.62Å; L272-T278 HydrophobicContact CD1-CG2 4.49Å; L272-T278 HydrophobicContact CD2-CG2 3.95Å; L272-T278 HydrophobicContact CG-CG2 3.85Å; T278-I295 HydrophobicContact CG2-CG2 3.84Å; T278-I295 PolarHBondContact N-O 2.92Å; T278-I295 PolarHBondContact O-N 2.92Å
279N97.7Very high96.6Very high83 Ų8355.8 Ų55.844%0.44433%0.326SS..EExtended strand (participates in β ladder)trans-92.2149.2173.2-55.5-9.7000110.2E281 T293 V294N279-E281 HydrophobicContact CB-CG 3.82Å; N279-E281 WeakPolarHBondContact CB-OE1 3.49Å; N279-E281 PolarHBondContact ND2-OE1 3.35Å; N279-T293 CarbonylContact C-O 3.6Å; N279-T293 WeakPolarHBondContact CA-O 3.49Å; N279-V294 WeakPolarHBondContact OD1-CG2 3.31Å
280L97.6Very high96.6Very high2 Ų257.9 Ų57.91%0.0134%0.338CS..EExtended strand (participates in β ladder)trans-108.5120.8158.2-71.586.6000107.1F239 L261 A264 A268 Y292 T293 I295F239-L280 HydrophobicContact CD2-CD2 3.77Å; F239-L280 HydrophobicContact CE1-CD1 4.32Å; F239-L280 HydrophobicContact CE2-CD1 3.79Å; F239-L280 HydrophobicContact CE2-CD2 3.52Å; F239-L280 HydrophobicContact CE2-CG 4.34Å; F239-L280 HydrophobicContact CG-CD2 4.45Å; F239-L280 HydrophobicContact CZ-CD1 3.53Å; F239-L280 HydrophobicContact CZ-CD2 4.02Å; F239-L280 HydrophobicContact CZ-CG 4.42Å; L261-L280 HydrophobicContact CD1-CD2 4.38Å; A264-L280 HydrophobicContact CB-CD2 4.14Å; A268-L280 HydrophobicContact CB-CD1 3.87Å; A268-L280 HydrophobicContact CB-CG 4.03Å; L280-Y292 WeakPolarHBondContact O-CA 3.49Å; L280-T293 HydrophobicContact CB-CG2 3.98Å; L280-T293 HydrophobicContact CD1-CG2 4.32Å; L280-T293 PolarHBondContact N-O 3.45Å; L280-T293 PolarHBondContact O-N 3.21Å; L280-I295 HydrophobicContact CD1-CB 4.29Å; L280-I295 HydrophobicContact CD1-CG2 3.47Å; L280-I295 VanDerWaalsContact CD1-CG2 3.47Å
281E95.9Very high96.6Very high120 Ų12052.2 Ų52.256%0.56132%0.316SS*.EExtended strand (participates in β ladder)trans-128.5110.9-175.7-54-175.8-17900107.4N279 Y292N279-E281 HydrophobicContact CB-CG 3.82Å; N279-E281 WeakPolarHBondContact CB-OE1 3.49Å; N279-E281 PolarHBondContact ND2-OE1 3.35Å; E281-Y292 HydrophobicContact CB-CD1 3.76Å; E281-Y292 HydrophobicContact CB-CE1 3.95Å; E281-Y292 HydrophobicContact CG-CD1 3.89Å; E281-Y292 HydrophobicContact CG-CE1 4.43Å
282I97.4Very high96.6Very high9 Ų955.1 Ų55.15%0.04632%0.323CS..EExtended strand (participates in β ladder)trans-135.3102.4-176.5-43.7174000109.9R260 L261 A264 L285 F291R260-I282 HydrophobicContact CB-CG2 4.26Å; L261-I282 HydrophobicContact CB-CD1 4.28Å; L261-I282 HydrophobicContact CD1-CD1 3.82Å; A264-I282 HydrophobicContact CB-CD1 3.6Å; A264-I282 HydrophobicContact CB-CG1 3.87Å; I282-L285 HydrophobicContact CB-CB 4.39Å; I282-L285 HydrophobicContact CD1-CD1 4.23Å; I282-L285 HydrophobicContact CG2-CB 4.13Å; I282-L285 HydrophobicContact CG2-CD1 3.9Å; I282-F291 HydrophobicContact CD1-CD1 4.45Å; I282-F291 PolarHBondContact N-O 2.82Å; I282-F291 PolarHBondContact O-N 3.26Å
283D96.3Very high96.6Very high92 Ų9256 Ų5649%0.49233%0.328SS..EExtended strand (participates in β ladder)trans-65.9137.2179-52.9-23.6000111.3R260 L285 D290 Y292R260-D283 PolarHBondContact NH1-O 3.2Å; R260-D283 PolarHBondContact NH2-O 3.22Å; D283-L285 PolarHBondContact O-N 2.83Å; D283-L285 VanDerWaalsContact O-N 3.12Å; D283-D290 WeakPolarHBondContact CA-OD1 3.47Å; D283-Y292 PolarHBondContact OD1-OH 3.21Å
284S95.3Very high96.7Very high65 Ų6558.3 Ų58.346%0.45534%0.341SS..EExtended strand (participates in β ladder)trans46.447.8175.8-65.40000112.5R260 C286 I289 D290R260-S284 PolarHBondContact NH1-O 3.11Å; S284-C286 VanDerWaalsContact C-N 3.28Å; S284-C286 PolarHBondContact O-N 2.86Å; S284-I289 CarbonylContact C-O 3.56Å; S284-I289 WeakPolarHBondContact CA-O 3.43Å; S284-D290 PolarHBondContact N-OD1 2.72Å
285L96.3Very high96.8Very high5 Ų553.7 Ų53.73%0.02631%0.309CS..EExtended strand (participates in β ladder)trans-56-45.2-177.8175.361.9000110.9F243 I251 A257 R260 L261 I282 D283 I289 F291F243-L285 HydrophobicContact CD2-CD2 3.8Å; F243-L285 HydrophobicContact CE2-CB 4.47Å; F243-L285 HydrophobicContact CE2-CD2 3.94Å; F243-L285 HydrophobicContact CE2-CG 4.46Å; F243-L285 HydrophobicContact CG-CD2 4.43Å; I251-L285 HydrophobicContact CD1-CD2 4.1Å; I251-L285 HydrophobicContact CD1-CG 4.47Å; A257-L285 HydrophobicContact CB-CD1 4.04Å; A257-L285 HydrophobicContact CB-CG 4.46Å; A257-L285 WeakPolarHBondContact CB-O 3.22Å; A257-L285 WeakPolarHBondContact O-CD1 3.43Å; R260-L285 HydrophobicContact CB-CD1 4.39Å; L261-L285 HydrophobicContact CB-CD1 4.36Å; I282-L285 HydrophobicContact CB-CB 4.39Å; I282-L285 HydrophobicContact CD1-CD1 4.23Å; I282-L285 HydrophobicContact CG2-CB 4.13Å; I282-L285 HydrophobicContact CG2-CD1 3.9Å; D283-L285 PolarHBondContact O-N 2.83Å; D283-L285 VanDerWaalsContact O-N 3.12Å; L285-I289 PolarHBondContact N-O 2.77Å; L285-F291 HydrophobicContact CB-CB 4.02Å; L285-F291 HydrophobicContact CD2-CB 3.55Å; L285-F291 HydrophobicContact CD2-CD1 3.9Å; L285-F291 HydrophobicContact CD2-CG 3.86Å; L285-F291 HydrophobicContact CG-CB 4.43Å
286C94.5Very high96.8Very high10 Ų1054.1 Ų54.17%0.06831%0.309CS..EExtended strand (participates in β ladder)trans-149132.1175.7-169.90000110.4F243 I251 S284 G288 I289F243-C286 HydrophobicContact CE1-CB 4.11Å; F243-C286 HydrophobicContact CZ-CB 3.86Å; I251-C286 HydrophobicContact CG2-CB 3.63Å; S284-C286 VanDerWaalsContact C-N 3.28Å; S284-C286 PolarHBondContact O-N 2.86Å; C286-G288 VanDerWaalsContact C-N 3.28Å; C286-G288 PolarHBondContact O-N 2.81Å; C286-I289 VanDerWaalsContact O-CB 3.25Å; C286-I289 WeakPolarHBondContact O-CB 3.41Å; C286-I289 WeakPolarHBondContact O-CG1 3.29Å; C286-I289 PolarHBondContact O-N 2.76Å
287D91.5Very high96.8Very high115 Ų11553.5 Ų53.562%0.61529%0.292SS*.THydrogen-bonded Turntrans5041.2176.6-56.3-23.7000115K249 I289K249-D287 WeakPolarHBondContact CD-OD2 3.32Å; K249-D287 WeakPolarHBondContact CE-OD2 3.07Å; K249-D287 IonicContact NZ-OD2 3.56Å; K249-D287 PolarHBondContact NZ-OD2 3.39Å; D287-I289 PolarHBondContact O-N 3.14Å
288G93.8Very high96.8Very high56 Ų5651.2 Ų51.258%0.57729%0.293SS*.THydrogen-bonded Turntrans73.35.4-178.400000115C286C286-G288 VanDerWaalsContact C-N 3.28Å; C286-G288 PolarHBondContact O-N 2.81Å
289I96.7Very high96.8Very high38 Ų3854 Ų5420%0.19530%0.301CS..EExtended strand (participates in β ladder)trans-86.4118176.8-56.4177.3000109.1F243 Y247 K249 S284 L285 C286 D287F243-I289 HydrophobicContact CE2-CB 4.48Å; F243-I289 HydrophobicContact CE2-CG2 4.01Å; F243-I289 HydrophobicContact CZ-CB 4.28Å; F243-I289 HydrophobicContact CZ-CG2 4.18Å; Y247-I289 HydrophobicContact CD1-CD1 4.36Å; Y247-I289 HydrophobicContact CD1-CG2 3.47Å; Y247-I289 VanDerWaalsContact CD1-CG2 3.47Å; Y247-I289 HydrophobicContact CD2-CG2 4.16Å; Y247-I289 HydrophobicContact CE1-CG2 3.51Å; Y247-I289 HydrophobicContact CE2-CG2 4.24Å; Y247-I289 HydrophobicContact CG-CD1 4.39Å; Y247-I289 HydrophobicContact CG-CG2 3.79Å; K249-I289 HydrophobicContact CD-CD1 3.94Å; S284-I289 CarbonylContact C-O 3.56Å; S284-I289 WeakPolarHBondContact CA-O 3.43Å; L285-I289 PolarHBondContact N-O 2.77Å; C286-I289 VanDerWaalsContact O-CB 3.25Å; C286-I289 WeakPolarHBondContact O-CB 3.41Å; C286-I289 WeakPolarHBondContact O-CG1 3.29Å; C286-I289 PolarHBondContact O-N 2.76Å; D287-I289 PolarHBondContact O-N 3.14Å
290D97.4Very high96.9Very high60 Ų6050.2 Ų50.232%0.32128%0.28SS..EExtended strand (participates in β ladder)trans-72143.4169.3-56.8-20.4000110.8Y247 D283 S284 Y292Y247-D290 PolarHBondContact OH-O 3.32Å; D283-D290 WeakPolarHBondContact CA-OD1 3.47Å; S284-D290 PolarHBondContact N-OD1 2.72Å; D290-Y292 HydrophobicContact CB-CD2 3.88Å; D290-Y292 HydrophobicContact CB-CE2 3.22Å; D290-Y292 PolarHBondContact OD2-OH 3.21Å
291F98Very high96.9Very high0 Ų052.2 Ų52.20%029%0.289CS..EExtended strand (participates in β ladder)trans-116.9105.3175.2-172.7-123.6000110.6F239 E242 F243 K246 Y247 L261 I282 L285 T293F239-F291 HydrophobicContact CB-CE1 4.01Å; F239-F291 HydrophobicContact CB-CZ 4.26Å; F239-F291 HydrophobicContact CD1-CE1 4.13Å; F239-F291 HydrophobicContact CD1-CZ 4.07Å; F239-F291 HydrophobicContact CG-CE1 4.26Å; E242-F291 HydrophobicContact CB-CZ 4.47Å; E242-F291 HydrophobicContact CG-CZ 4.47Å; F243-F291 HydrophobicContact CB-CE2 4.21Å; F243-F291 HydrophobicContact CB-CZ 4.5Å; F243-F291 HydrophobicContact CD2-CB 4.15Å; F243-F291 AromaticContact CD2-CD2 3.61Å; F243-F291 HydrophobicContact CD2-CD2 3.61Å; F243-F291 HydrophobicContact CD2-CE2 4.13Å; F243-F291 AromaticContact CD2-CG 3.93Å; F243-F291 HydrophobicContact CD2-CG 3.93Å; F243-F291 HydrophobicContact CE2-CB 4.29Å; F243-F291 HydrophobicContact CE2-CD2 4.38Å; K246-F291 HydrophobicContact CD-CE2 4.39Å; Y247-F291 AromaticContact CE2-CD2 3.86Å; Y247-F291 HydrophobicContact CE2-CD2 3.86Å; Y247-F291 HydrophobicContact CE2-CE2 4.32Å; L261-F291 HydrophobicContact CD1-CD1 4.37Å; L261-F291 HydrophobicContact CD1-CE1 4.22Å; I282-F291 HydrophobicContact CD1-CD1 4.45Å; I282-F291 PolarHBondContact N-O 2.82Å; I282-F291 PolarHBondContact O-N 3.26Å; L285-F291 HydrophobicContact CB-CB 4.02Å; L285-F291 HydrophobicContact CD2-CB 3.55Å; L285-F291 HydrophobicContact CD2-CD1 3.9Å; L285-F291 HydrophobicContact CD2-CG 3.86Å; L285-F291 HydrophobicContact CG-CB 4.43Å; F291-T293 HydrophobicContact CD1-CG2 4.49Å; F291-T293 HydrophobicContact CE1-CG2 3.72Å; F291-T293 HydrophobicContact CE2-CG2 4.49Å; F291-T293 HydrophobicContact CZ-CG2 3.73Å
292Y97.4Very high97Very high108 Ų10852.4 Ų52.442%0.42429%0.29SS..EExtended strand (participates in β ladder)trans-113.6124.9173.4-55.2-77.4000109.5L280 E281 D283 D290L280-Y292 WeakPolarHBondContact O-CA 3.49Å; E281-Y292 HydrophobicContact CB-CD1 3.76Å; E281-Y292 HydrophobicContact CB-CE1 3.95Å; E281-Y292 HydrophobicContact CG-CD1 3.89Å; E281-Y292 HydrophobicContact CG-CE1 4.43Å; D283-Y292 PolarHBondContact OD1-OH 3.21Å; D290-Y292 HydrophobicContact CB-CD2 3.88Å; D290-Y292 HydrophobicContact CB-CE2 3.22Å; D290-Y292 PolarHBondContact OD2-OH 3.21Å
293T97.7Very high97.1Very high19 Ų1953.3 Ų53.312%0.11730%0.295CS..EExtended strand (participates in β ladder)trans-151.3164.2175-164.90000111.3F239 E242 N279 L280 F291F239-T293 HydrophobicContact CD1-CG2 3.76Å; F239-T293 HydrophobicContact CE1-CG2 3.46Å; F239-T293 VanDerWaalsContact CE1-CG2 3.46Å; F239-T293 HydrophobicContact CZ-CG2 4.23Å; E242-T293 WeakPolarHBondContact OE1-CB 3.45Å; E242-T293 PolarHBondContact OE1-OG1 2.95Å; N279-T293 CarbonylContact C-O 3.6Å; N279-T293 WeakPolarHBondContact CA-O 3.49Å; L280-T293 HydrophobicContact CB-CG2 3.98Å; L280-T293 HydrophobicContact CD1-CG2 4.32Å; L280-T293 PolarHBondContact N-O 3.45Å; L280-T293 PolarHBondContact O-N 3.21Å; F291-T293 HydrophobicContact CD1-CG2 4.49Å; F291-T293 HydrophobicContact CE1-CG2 3.72Å; F291-T293 HydrophobicContact CE2-CG2 4.49Å; F291-T293 HydrophobicContact CZ-CG2 3.73Å
294V98Very high97.2Very high79 Ų7949 Ų4948%0.47927%0.272SS..EExtended strand (participates in β ladder)trans-116140.4178.7165.70000108.4N279N279-V294 WeakPolarHBondContact OD1-CG2 3.31Å
295I98.5Very high97.3Very high4 Ų446.9 Ų46.92%0.02126%0.259CS..EExtended strand (participates in β ladder)trans-127.7134.7168.2-173160.1000110.7M235 F239 A268 L272 Q277 T278 L280 R299 F300 L303M235-I295 HydrophobicContact CE-CD1 4.24Å; F239-I295 HydrophobicContact CE2-CD1 4.14Å; F239-I295 HydrophobicContact CZ-CB 3.92Å; F239-I295 HydrophobicContact CZ-CD1 3.7Å; F239-I295 HydrophobicContact CZ-CG1 4.37Å; F239-I295 HydrophobicContact CZ-CG2 4.22Å; A268-I295 HydrophobicContact CB-CG2 4.42Å; L272-I295 HydrophobicContact CD1-CG1 4.37Å; L272-I295 HydrophobicContact CD1-CG2 4.05Å; Q277-I295 CarbonylContact C-O 3.51Å; Q277-I295 VanDerWaalsContact CA-O 3.3Å; Q277-I295 WeakPolarHBondContact CA-O 3.49Å; T278-I295 HydrophobicContact CG2-CG2 3.84Å; T278-I295 PolarHBondContact N-O 2.92Å; T278-I295 PolarHBondContact O-N 2.92Å; L280-I295 HydrophobicContact CD1-CB 4.29Å; L280-I295 HydrophobicContact CD1-CG2 3.47Å; L280-I295 VanDerWaalsContact CD1-CG2 3.47Å; I295-R299 HydrophobicContact CD1-CG 4.45Å; I295-R299 HydrophobicContact CG1-CB 4.22Å; I295-R299 HydrophobicContact CG1-CG 4.32Å; I295-F300 HydrophobicContact CD1-CB 4.28Å; I295-L303 HydrophobicContact CD1-CD1 4.26Å
296T98.5Very high97.4Very high56 Ų5650.5 Ų50.534%0.34428%0.278SS..EExtended strand (participates in β ladder)trans-91.7154.4172.865.80000110.1A276 Q277 A298 R299 F300A276-T296 WeakPolarHBondContact O-CA 3.46Å; Q277-T296 HydrophobicContact CB-CG2 4.28Å; T296-A298 PolarHBondContact O-N 3.22Å; T296-R299 PolarHBondContact O-N 2.81Å; T296-R299 VanDerWaalsContact O-N 3.12Å; T296-R299 WeakPolarHBondContact OG1-CB 3.42Å; T296-R299 PolarHBondContact OG1-N 3.3Å; T296-F300 PolarHBondContact O-N 3.47Å
297R98.4Very high97.5Very high59 Ų5951.5 Ų51.522%0.22328%0.283CS..Hα-helixtrans-56.6-42.5173-174.6-172.7-63.2165.7-2.5110.7L272 S274 S275 A276 R299 F300 E301L272-R297 HydrophobicContact CD2-CB 4.18Å; L272-R297 PolarHBondContact O-NE 3.38Å; L272-R297 PolarHBondContact O-NH2 3.28Å; S274-R297 PolarHBondContact O-NH2 2.9Å; S274-R297 VanDerWaalsContact O-NH2 3.12Å; S275-R297 VanDerWaalsContact N-NH2 3.18Å; S275-R297 PolarHBondContact O-NE 3.07Å; S275-R297 PolarHBondContact O-NH2 3.24Å; A276-R297 WeakPolarHBondContact O-CB 3.35Å; A276-R297 PolarHBondContact O-N 3.12Å; R297-R299 VanDerWaalsContact C-N 3.3Å; R297-R299 PolarHBondContact O-N 2.9Å; R297-F300 WeakPolarHBondContact O-CB 3.5Å; R297-F300 PolarHBondContact O-N 3.44Å; R297-E301 WeakPolarHBondContact CD-OE1 3.37Å; R297-E301 HydrophobicContact CG-CG 4.29Å; R297-E301 WeakPolarHBondContact CG-OE1 3.49Å; R297-E301 WeakPolarHBondContact O-CB 3.41Å; R297-E301 VanDerWaalsContact O-CG 3.3Å; R297-E301 WeakPolarHBondContact O-CG 3.25Å; R297-E301 PolarHBondContact O-N 3.26Å
298A98.3Very high97.9Very high70 Ų7046 Ų4658%0.57925%0.253SS*.Hα-helixtrans-57.6-41.717700000112.4T296 E301 E302T296-A298 PolarHBondContact O-N 3.22Å; A298-E301 PolarHBondContact O-N 3.48Å; A298-E302 WeakPolarHBondContact O-CB 3.46Å; A298-E302 PolarHBondContact O-N 3.44Å
299R98.4Very high98Very high85 Ų8550.9 Ų50.932%0.32125%0.254SS..Hα-helixtrans-68.3-43.4176.6-178.357.9179.7171.84.9112.1H238 I295 T296 R297 E301 E302 L303H238-R299 PolarHBondContact CE1-NH2 3.39Å; I295-R299 HydrophobicContact CD1-CG 4.45Å; I295-R299 HydrophobicContact CG1-CB 4.22Å; I295-R299 HydrophobicContact CG1-CG 4.32Å; T296-R299 PolarHBondContact O-N 2.81Å; T296-R299 VanDerWaalsContact O-N 3.12Å; T296-R299 WeakPolarHBondContact OG1-CB 3.42Å; T296-R299 PolarHBondContact OG1-N 3.3Å; R297-R299 VanDerWaalsContact C-N 3.3Å; R297-R299 PolarHBondContact O-N 2.9Å; R299-E301 VanDerWaalsContact C-N 3.29Å; R299-E301 PolarHBondContact O-N 2.85Å; R299-E302 WeakPolarHBondContact CD-OE2 3.4Å; R299-E302 IonicContact CZ-OE2 3.41Å; R299-E302 IonicContact NH1-OE1 2.71Å; R299-E302 PolarHBondContact NH1-OE1 3.29Å; R299-E302 IonicContact NH1-OE2 2.83Å; R299-E302 PolarHBondContact NH1-OE2 3.03Å; R299-E302 WeakPolarHBondContact O-CB 3.38Å; R299-E302 PolarHBondContact O-N 3.01Å; R299-L303 HydrophobicContact CG-CD1 4.48Å; R299-L303 VanDerWaalsContact O-CG 3.31Å; R299-L303 WeakPolarHBondContact O-CG 3.2Å; R299-L303 PolarHBondContact O-N 2.62Å
300F98.6Very high98Very high3 Ų350.2 Ų50.21%0.01326%0.257CS..Hα-helixtrans-58.6-42.2173.6166.5-105.9000112.2F231 M235 K269 L272 I295 T296 R297 L303 N304 F308 I341F231-F300 HydrophobicContact CB-CE2 4.17Å; F231-F300 HydrophobicContact CB-CZ 4.25Å; M235-F300 HydrophobicContact CG-CD2 3.92Å; M235-F300 HydrophobicContact CG-CE2 4.23Å; M235-F300 HydrophobicContact SD-CD2 3.51Å; M235-F300 VanDerWaalsContact SD-CD2 3.51Å; M235-F300 HydrophobicContact SD-CE2 3.67Å; K269-F300 HydrophobicContact CB-CE2 4.5Å; K269-F300 HydrophobicContact CD-CE2 4.38Å; K269-F300 HydrophobicContact CD-CZ 4.26Å; K269-F300 HydrophobicContact CG-CE2 3.94Å; K269-F300 HydrophobicContact CG-CZ 3.77Å; L272-F300 HydrophobicContact CD1-CB 3.54Å; L272-F300 HydrophobicContact CD1-CD1 4.38Å; L272-F300 HydrophobicContact CD1-CG 3.91Å; I295-F300 HydrophobicContact CD1-CB 4.28Å; T296-F300 PolarHBondContact O-N 3.47Å; R297-F300 WeakPolarHBondContact O-CB 3.5Å; R297-F300 PolarHBondContact O-N 3.44Å; F300-L303 PolarHBondContact O-N 3.42Å; F300-N304 WeakPolarHBondContact CD2-ND2 3.34Å; F300-N304 WeakPolarHBondContact CE2-ND2 3.42Å; F300-N304 PolarHBondContact O-N 3.48Å; F300-N304 PolarHBondContact O-ND2 2.88Å; F300-F308 HydrophobicContact CE1-CE2 4.31Å; F300-F308 AromaticContact CE1-CZ 3.73Å; F300-F308 HydrophobicContact CE1-CZ 3.73Å; F300-F308 AromaticContact CZ-CZ 3.89Å; F300-F308 HydrophobicContact CZ-CZ 3.89Å; F300-I341 HydrophobicContact CE1-CD1 4.36Å; F300-I341 HydrophobicContact CE1-CG2 4.06Å; F300-I341 HydrophobicContact CZ-CD1 4.15Å
301E98.4Very high98Very high44 Ų4447.4 Ų47.421%0.20624%0.242CC..Hα-helixtrans-65.1-38.1177-71.7178.7-167.100112.6R297 A298 R299 N304 A305 F308 K343R297-E301 WeakPolarHBondContact CD-OE1 3.37Å; R297-E301 HydrophobicContact CG-CG 4.29Å; R297-E301 WeakPolarHBondContact CG-OE1 3.49Å; R297-E301 WeakPolarHBondContact O-CB 3.41Å; R297-E301 VanDerWaalsContact O-CG 3.3Å; R297-E301 WeakPolarHBondContact O-CG 3.25Å; R297-E301 PolarHBondContact O-N 3.26Å; A298-E301 PolarHBondContact O-N 3.48Å; R299-E301 VanDerWaalsContact C-N 3.29Å; R299-E301 PolarHBondContact O-N 2.85Å; E301-N304 CarbonylContact O-C 3.45Å; E301-N304 PolarHBondContact O-N 3.08Å; E301-A305 WeakPolarHBondContact O-CA 3.33Å; E301-A305 WeakPolarHBondContact O-CB 3.48Å; E301-A305 PolarHBondContact O-N 3.42Å; E301-F308 HydrophobicContact CB-CE2 4.45Å; E301-F308 HydrophobicContact CG-CE2 4.28Å; E301-K343 HydrophobicContact CB-CG 4.46Å; E301-K343 HydrophobicContact CG-CB 3.73Å; E301-K343 HydrophobicContact CG-CG 4Å
302E98.3Very high98Very high123 Ų12348.8 Ų48.858%0.57525%0.249SC*.Hα-helixtrans-63.7-43.9174.6-169.9-167.7170.800111.8A298 R299 N304 A305A298-E302 WeakPolarHBondContact O-CB 3.46Å; A298-E302 PolarHBondContact O-N 3.44Å; R299-E302 WeakPolarHBondContact CD-OE2 3.4Å; R299-E302 IonicContact CZ-OE2 3.41Å; R299-E302 IonicContact NH1-OE1 2.71Å; R299-E302 PolarHBondContact NH1-OE1 3.29Å; R299-E302 IonicContact NH1-OE2 2.83Å; R299-E302 PolarHBondContact NH1-OE2 3.03Å; R299-E302 WeakPolarHBondContact O-CB 3.38Å; R299-E302 PolarHBondContact O-N 3.01Å; E302-N304 PolarHBondContact O-N 2.96Å; E302-A305 WeakPolarHBondContact O-CB 3.47Å; E302-A305 PolarHBondContact O-N 2.96Å
303L98.4Very high97.9Very high29 Ų2948.8 Ų48.815%0.15226%0.256CS..Hα-helixtrans-62.6-25.9179.6-69.8171.9000113.6R234 H238 I295 R299 F300R234-L303 PolarHBondContact NH1-O 3.33Å; H238-L303 HydrophobicContact CB-CD1 3.96Å; H238-L303 HydrophobicContact CB-CD2 4.1Å; I295-L303 HydrophobicContact CD1-CD1 4.26Å; R299-L303 HydrophobicContact CG-CD1 4.48Å; R299-L303 VanDerWaalsContact O-CG 3.31Å; R299-L303 WeakPolarHBondContact O-CG 3.2Å; R299-L303 PolarHBondContact O-N 2.62Å; F300-L303 PolarHBondContact O-N 3.42Å
304N98.5Very high97.8Very high0 Ų048.5 Ų48.50%026%0.255CS..THydrogen-bonded Turntrans-115.812.7-175.8-66.1-71.8000112.7F231 R234 F300 E301 E302 D306 L307 F308F231-N304 WeakPolarHBondContact CA-OD1 3.43Å; F231-N304 HydrophobicContact CD1-CB 4.26Å; R234-N304 WeakPolarHBondContact CB-OD1 3.47Å; R234-N304 VanDerWaalsContact CG-OD1 3.27Å; R234-N304 WeakPolarHBondContact CG-OD1 3.27Å; F300-N304 WeakPolarHBondContact CD2-ND2 3.34Å; F300-N304 WeakPolarHBondContact CE2-ND2 3.42Å; F300-N304 PolarHBondContact O-N 3.48Å; F300-N304 PolarHBondContact O-ND2 2.88Å; E301-N304 CarbonylContact O-C 3.45Å; E301-N304 PolarHBondContact O-N 3.08Å; E302-N304 PolarHBondContact O-N 2.96Å; N304-D306 VanDerWaalsContact C-N 3.25Å; N304-D306 PolarHBondContact O-N 3.14Å; N304-L307 PolarHBondContact O-N 3.44Å; N304-L307 VanDerWaalsContact O-N 3.13Å; N304-F308 HydrophobicContact CB-CD1 4.4Å; N304-F308 HydrophobicContact CB-CD2 4.09Å; N304-F308 HydrophobicContact CB-CE1 4Å; N304-F308 HydrophobicContact CB-CE2 3.71Å; N304-F308 HydrophobicContact CB-CG 4.43Å; N304-F308 HydrophobicContact CB-CZ 3.63Å; N304-F308 WeakPolarHBondContact O-CD2 3.48Å; N304-F308 WeakPolarHBondContact O-CG 3.35Å; N304-F308 PolarHBondContact O-N 2.83Å
305A98.1Very high97.8Very high22 Ų2244.7 Ų44.718%0.18223%0.232CC..Hα-helixtrans-62.6-32-169.700000113.1E301 E302 R309E301-A305 WeakPolarHBondContact O-CA 3.33Å; E301-A305 WeakPolarHBondContact O-CB 3.48Å; E301-A305 PolarHBondContact O-N 3.42Å; E302-A305 WeakPolarHBondContact O-CB 3.47Å; E302-A305 PolarHBondContact O-N 2.96Å; A305-R309 VanDerWaalsContact C-NH1 3.33Å; A305-R309 VanDerWaalsContact O-CG 3.27Å; A305-R309 WeakPolarHBondContact O-CG 3.29Å; A305-R309 PolarHBondContact O-N 3.27Å; A305-R309 PolarHBondContact O-NH1 3.4Å
306D97.7Very high97.7Very high80 Ų8048.6 Ų48.643%0.42825%0.25SC..Hα-helixtrans-71.1-47.317460.8-49.1000111.6R234 N304 F308 R309 G310R234-D306 IonicContact CZ-OD1 3.96Å; R234-D306 IonicContact CZ-OD2 3.74Å; R234-D306 IonicContact NH1-OD1 2.94Å; R234-D306 PolarHBondContact NH1-OD1 3.3Å; R234-D306 IonicContact NH1-OD2 3.59Å; R234-D306 PolarHBondContact NH1-OD2 3.36Å; R234-D306 IonicContact NH2-OD1 2.94Å; R234-D306 IonicContact NH2-OD2 2.87Å; R234-D306 PolarHBondContact NH2-OD2 3.2Å; N304-D306 VanDerWaalsContact C-N 3.25Å; N304-D306 PolarHBondContact O-N 3.14Å; D306-F308 VanDerWaalsContact C-N 3.34Å; D306-F308 PolarHBondContact O-N 3.04Å; D306-R309 PolarHBondContact O-N 3.34Å; D306-G310 PolarHBondContact O-N 3.18Å
307L97.6Very high97.5Very high32 Ų3249 Ų4917%0.16825%0.247CC..Hα-helixtrans-61.6-42.2178.3-60.6-179.1000111.7L226 D230 F231 R234 N304 G310 T311L226-L307 HydrophobicContact CD1-CB 3.93Å; L226-L307 HydrophobicContact CD1-CD2 4.11Å; L226-L307 HydrophobicContact CD1-CG 4.44Å; D230-L307 HydrophobicContact CB-CD1 4.17Å; F231-L307 HydrophobicContact CD1-CB 4.36Å; F231-L307 HydrophobicContact CD1-CD1 3.84Å; F231-L307 HydrophobicContact CE1-CB 3.82Å; F231-L307 HydrophobicContact CE1-CD1 4.03Å; R234-L307 HydrophobicContact CG-CD1 4.06Å; N304-L307 PolarHBondContact O-N 3.44Å; N304-L307 VanDerWaalsContact O-N 3.13Å; L307-G310 PolarHBondContact O-N 2.87Å; L307-T311 PolarHBondContact O-N 2.79Å
308F98.2Very high97.4Very high0 Ų046.2 Ų46.20%024%0.236CC..Hα-helixtrans-64.7-40.2176.5-64.7-25.9000112.8F231 F300 E301 N304 D306 G310 T311 I341 K343 V344 L347F231-F308 AromaticContact CD1-CE1 3.93Å; F231-F308 HydrophobicContact CD1-CE1 3.93Å; F231-F308 HydrophobicContact CD2-CE1 4.33Å; F231-F308 AromaticContact CE1-CD1 3.86Å; F231-F308 HydrophobicContact CE1-CD1 3.86Å; F231-F308 AromaticContact CE1-CE1 3.58Å; F231-F308 HydrophobicContact CE1-CE1 3.58Å; F231-F308 HydrophobicContact CE2-CE1 4.02Å; F231-F308 HydrophobicContact CG-CE1 4.32Å; F231-F308 AromaticContact CZ-CD1 3.96Å; F231-F308 HydrophobicContact CZ-CD1 3.96Å; F231-F308 AromaticContact CZ-CE1 3.64Å; F231-F308 HydrophobicContact CZ-CE1 3.64Å; F300-F308 HydrophobicContact CE1-CE2 4.31Å; F300-F308 AromaticContact CE1-CZ 3.73Å; F300-F308 HydrophobicContact CE1-CZ 3.73Å; F300-F308 AromaticContact CZ-CZ 3.89Å; F300-F308 HydrophobicContact CZ-CZ 3.89Å; E301-F308 HydrophobicContact CB-CE2 4.45Å; E301-F308 HydrophobicContact CG-CE2 4.28Å; N304-F308 HydrophobicContact CB-CD1 4.4Å; N304-F308 HydrophobicContact CB-CD2 4.09Å; N304-F308 HydrophobicContact CB-CE1 4Å; N304-F308 HydrophobicContact CB-CE2 3.71Å; N304-F308 HydrophobicContact CB-CG 4.43Å; N304-F308 HydrophobicContact CB-CZ 3.63Å; N304-F308 WeakPolarHBondContact O-CD2 3.48Å; N304-F308 WeakPolarHBondContact O-CG 3.35Å; N304-F308 PolarHBondContact O-N 2.83Å; D306-F308 VanDerWaalsContact C-N 3.34Å; D306-F308 PolarHBondContact O-N 3.04Å; F308-G310 VanDerWaalsContact C-N 3.33Å; F308-T311 PolarHBondContact O-N 3.32Å; F308-T311 PolarHBondContact O-OG1 3.11Å; F308-I341 HydrophobicContact CE1-CD1 4.15Å; F308-I341 HydrophobicContact CE1-CG2 4.26Å; F308-I341 HydrophobicContact CE2-CG2 4.37Å; F308-I341 HydrophobicContact CZ-CD1 4.31Å; F308-I341 HydrophobicContact CZ-CG2 3.82Å; F308-K343 HydrophobicContact CD2-CB 4Å; F308-K343 HydrophobicContact CD2-CG 3.52Å; F308-K343 HydrophobicContact CE2-CB 3.97Å; F308-K343 HydrophobicContact CE2-CG 3.95Å; F308-K343 HydrophobicContact CG-CG 4.31Å; F308-V344 HydrophobicContact CD1-CG2 3.77Å; F308-V344 HydrophobicContact CE1-CG2 3.95Å; F308-V344 HydrophobicContact CG-CG2 4.45Å; F308-L347 HydrophobicContact CB-CD1 3.69Å
309R97.1Very high97.4Very high157 Ų15743.3 Ų43.359%0.59221%0.211SC*.Hα-helixtrans-66.3-38.2174.1-73.6-179.6-164.2103.6-7.7111.6A305 D306 T311 L312A305-R309 VanDerWaalsContact C-NH1 3.33Å; A305-R309 VanDerWaalsContact O-CG 3.27Å; A305-R309 WeakPolarHBondContact O-CG 3.29Å; A305-R309 PolarHBondContact O-N 3.27Å; A305-R309 PolarHBondContact O-NH1 3.4Å; D306-R309 PolarHBondContact O-N 3.34Å; R309-T311 PolarHBondContact O-N 3.15Å; R309-T311 VanDerWaalsContact O-N 3.13Å; R309-L312 WeakPolarHBondContact O-CB 3.46Å; R309-L312 PolarHBondContact O-N 3.39Å
310G96.1Very high97.4Very high24 Ų2447.6 Ų47.625%0.24723%0.227CC..Hα-helixtrans-57.6-24.1176.600000113.7D306 L307 F308 L312 D313 P314D306-G310 PolarHBondContact O-N 3.18Å; L307-G310 PolarHBondContact O-N 2.87Å; F308-G310 VanDerWaalsContact C-N 3.33Å; G310-L312 PolarHBondContact O-N 3.31Å; G310-D313 PolarHBondContact O-N 3.2Å; G310-P314 WeakPolarHBondContact O-CD 3.42Å
311T97.5Very high97.2Very high1 Ų149.6 Ų49.61%0.00624%0.238CC..THydrogen-bonded Turntrans-65-20.7174.268.40000114F196 L198 F203 L226 L307 F308 R309 V315F196-T311 HydrophobicContact CZ-CG2 4.4Å; L198-T311 HydrophobicContact CD1-CG2 4.44Å; F203-T311 HydrophobicContact CE1-CG2 4.32Å; F203-T311 WeakPolarHBondContact CE1-O 3.42Å; F203-T311 HydrophobicContact CZ-CG2 4.42Å; F203-T311 VanDerWaalsContact CZ-O 3.26Å; F203-T311 WeakPolarHBondContact CZ-O 3.44Å; L226-T311 HydrophobicContact CD2-CG2 3.87Å; L307-T311 PolarHBondContact O-N 2.79Å; F308-T311 PolarHBondContact O-N 3.32Å; F308-T311 PolarHBondContact O-OG1 3.11Å; R309-T311 PolarHBondContact O-N 3.15Å; R309-T311 VanDerWaalsContact O-N 3.13Å; T311-V315 WeakPolarHBondContact O-CG2 3.45Å
312L98Very high97.1Very high29 Ų2948.3 Ų48.315%0.15224%0.235CC..Hα-helixtrans-79.4-24.5179.4-62.2179.8000112.7R309 G310 V315 E316 F351R309-L312 WeakPolarHBondContact O-CB 3.46Å; R309-L312 PolarHBondContact O-N 3.39Å; G310-L312 PolarHBondContact O-N 3.31Å; L312-V315 WeakPolarHBondContact O-CB 3.08Å; L312-V315 PolarHBondContact O-N 2.72Å; L312-V315 VanDerWaalsContact O-N 3.15Å; L312-E316 PolarHBondContact O-N 2.84Å; L312-F351 HydrophobicContact CD1-CD2 4.29Å; L312-F351 HydrophobicContact CD2-CB 3.93Å; L312-F351 HydrophobicContact CD2-CD2 4.1Å; L312-F351 HydrophobicContact CD2-CG 4.05Å
313D96.1Very high97.1Very high108 Ų10851.2 Ų51.258%0.57825%0.245SC*.Hα-helixtrans-64.1-46.1-178.2-61.5-20.6000111.6G310 V315 E316 K317G310-D313 PolarHBondContact O-N 3.2Å; D313-V315 VanDerWaalsContact C-N 3.31Å; D313-V315 PolarHBondContact O-N 2.96Å; D313-E316 PolarHBondContact O-N 3.5Å; D313-K317 VanDerWaalsContact O-CB 3.31Å; D313-K317 WeakPolarHBondContact O-CB 3.32Å; D313-K317 PolarHBondContact O-N 3.24Å
314P94.5Very high97.1Very high13 Ų1351 Ų518%0.08424%0.244CC..Hα-helixtrans-62.6-33.5171.4-28.340000113.9F203 V205 A221 G310 K317 A318F203-P314 HydrophobicContact CD1-CB 4.35Å; F203-P314 HydrophobicContact CD1-CG 3.92Å; F203-P314 HydrophobicContact CE1-CB 3.73Å; F203-P314 HydrophobicContact CE1-CG 3.57Å; F203-P314 HydrophobicContact CZ-CB 4.48Å; V205-P314 HydrophobicContact CB-CB 4.46Å; V205-P314 HydrophobicContact CG2-CB 4.01Å; A221-P314 HydrophobicContact CB-CB 3.95Å; A221-P314 VanDerWaalsContact CB-O 3.31Å; A221-P314 WeakPolarHBondContact CB-O 3.33Å; G310-P314 WeakPolarHBondContact O-CD 3.42Å; P314-K317 PolarHBondContact O-N 2.98Å; P314-A318 WeakPolarHBondContact O-CB 3.39Å; P314-A318 PolarHBondContact O-N 2.98Å
315V98.1Very high97Very high0 Ų056.4 Ų56.40%027%0.273CS..Hα-helixtrans-64.7-48.2176.31770000111.1L194 F196 V205 T311 L312 D313 K317 A318 L319 L348 F351 F352L194-V315 HydrophobicContact CD1-CG1 4.01Å; F196-V315 HydrophobicContact CD2-CG2 3.86Å; F196-V315 HydrophobicContact CE2-CG2 3.76Å; V205-V315 HydrophobicContact CG1-CG2 4.23Å; V205-V315 HydrophobicContact CG2-CG2 3.84Å; T311-V315 WeakPolarHBondContact O-CG2 3.45Å; L312-V315 WeakPolarHBondContact O-CB 3.08Å; L312-V315 PolarHBondContact O-N 2.72Å; L312-V315 VanDerWaalsContact O-N 3.15Å; D313-V315 VanDerWaalsContact C-N 3.31Å; D313-V315 PolarHBondContact O-N 2.96Å; V315-K317 VanDerWaalsContact C-N 3.32Å; V315-K317 PolarHBondContact O-N 2.89Å; V315-A318 PolarHBondContact O-N 2.81Å; V315-L319 HydrophobicContact CG1-CD1 4.28Å; V315-L319 WeakPolarHBondContact O-CG 3.39Å; V315-L319 PolarHBondContact O-N 3.49Å; V315-L319 VanDerWaalsContact O-N 3.08Å; V315-L348 HydrophobicContact CG2-CD1 4.24Å; V315-F351 HydrophobicContact CG1-CD1 3.99Å; V315-F351 HydrophobicContact CG1-CE1 3.48Å; V315-F351 VanDerWaalsContact CG1-CE1 3.48Å; V315-F351 HydrophobicContact CG1-CZ 4.01Å; V315-F352 HydrophobicContact CG1-CE2 3.8Å; V315-F352 HydrophobicContact CG1-CZ 4.01Å
316E97.8Very high96.9Very high86 Ų8658.5 Ų58.540%0.40228%0.278SS..Hα-helixtrans-61.6-41.6175.4-75.2-174.3-171.700112.3L312 D313 R320 F351L312-E316 PolarHBondContact O-N 2.84Å; D313-E316 PolarHBondContact O-N 3.5Å; E316-R320 WeakPolarHBondContact O-CB 3.17Å; E316-R320 PolarHBondContact O-N 3.09Å; E316-F351 HydrophobicContact CG-CE2 3.42Å; E316-F351 VanDerWaalsContact CG-CE2 3.42Å; E316-F351 HydrophobicContact CG-CZ 3.45Å; E316-F351 VanDerWaalsContact CG-CZ 3.45Å; E316-F351 WeakPolarHBondContact OE1-CE2 3.4Å
317K94.4Very high96.9Very high65 Ų6559.5 Ų59.528%0.28329%0.291SS..Hα-helixtrans-61.3-52177.7-176.6177.1178.7-162.40110.5Y147 A221 D313 P314 V315 L319 R320 D321 R414Y147-K317 PolarHBondContact OH-NZ 2.66Å; A221-K317 HydrophobicContact CB-CB 4.19Å; A221-K317 HydrophobicContact CB-CD 4.1Å; A221-K317 HydrophobicContact CB-CG 4.18Å; D313-K317 VanDerWaalsContact O-CB 3.31Å; D313-K317 WeakPolarHBondContact O-CB 3.32Å; D313-K317 PolarHBondContact O-N 3.24Å; P314-K317 PolarHBondContact O-N 2.98Å; V315-K317 VanDerWaalsContact C-N 3.32Å; V315-K317 PolarHBondContact O-N 2.89Å; K317-L319 PolarHBondContact O-N 3.33Å; K317-R320 WeakPolarHBondContact O-CB 3.33Å; K317-R320 PolarHBondContact O-N 3.4Å; K317-D321 VanDerWaalsContact CG-OD2 3.3Å; K317-D321 WeakPolarHBondContact CG-OD2 3.04Å; K317-D321 WeakPolarHBondContact O-CB 3.39Å; K317-D321 PolarHBondContact O-N 3.47Å; K317-R414 VanDerWaalsContact CE-CZ 3.47Å; K317-R414 VanDerWaalsContact CE-NH2 3.32Å
318A95.5Very high96.9Very high0 Ų061.9 Ų61.90%030%0.301CS..Hα-helixtrans-55.5-49.9177.800000111.7V205 I207 S219 A221 P314 V315 R320 D321 A322V205-A318 HydrophobicContact CG1-CB 3.93Å; I207-A318 VanDerWaalsContact CD1-C 3.49Å; I207-A318 HydrophobicContact CD1-CB 3.95Å; I207-A318 HydrophobicContact CG1-CB 4.2Å; S219-A318 PolarHBondContact OG-O 3.35Å; A221-A318 HydrophobicContact CB-CB 4.17Å; P314-A318 WeakPolarHBondContact O-CB 3.39Å; P314-A318 PolarHBondContact O-N 2.98Å; V315-A318 PolarHBondContact O-N 2.81Å; A318-R320 VanDerWaalsContact C-N 3.33Å; A318-R320 PolarHBondContact O-N 2.82Å; A318-D321 PolarHBondContact O-N 2.72Å; A318-D321 VanDerWaalsContact O-N 3.17Å; A318-A322 WeakPolarHBondContact O-CB 3.15Å; A318-A322 PolarHBondContact O-N 2.76Å
319L98.4Very high96.8Very high9 Ų961.9 Ų61.95%0.04730%0.301CS..Hα-helixtrans-56.5-45.6177.5-76.8167.1000112.9I207 V315 K317 D321 A322 K323 M324 K326 I329 F351 F352I207-L319 HydrophobicContact CD1-CB 4.37Å; I207-L319 HydrophobicContact CD1-CD2 3.78Å; I207-L319 HydrophobicContact CD1-CG 3.99Å; V315-L319 HydrophobicContact CG1-CD1 4.28Å; V315-L319 WeakPolarHBondContact O-CG 3.39Å; V315-L319 PolarHBondContact O-N 3.49Å; V315-L319 VanDerWaalsContact O-N 3.08Å; K317-L319 PolarHBondContact O-N 3.33Å; L319-D321 VanDerWaalsContact C-N 3.32Å; L319-D321 PolarHBondContact O-N 3.24Å; L319-A322 PolarHBondContact O-N 3Å; L319-K323 PolarHBondContact O-N 2.73Å; L319-M324 PolarHBondContact O-N 2.74Å; L319-K326 HydrophobicContact CD1-CG 3.79Å; L319-I329 HydrophobicContact CD2-CD1 3.93Å; L319-I329 HydrophobicContact CD2-CG1 3.64Å; L319-F351 HydrophobicContact CD1-CE1 3.68Å; L319-F351 HydrophobicContact CD1-CZ 4.03Å; L319-F352 HydrophobicContact CD1-CE1 4.33Å; L319-F352 HydrophobicContact CD1-CZ 4.07Å
320R97.5Very high96.8Very high174 Ų17458.6 Ų58.666%0.65729%0.293SS*.Hα-helixtrans-63.6-40.3179.4-163.6-171.2-49.21676.2111.7E316 K317 A318 K323E316-R320 WeakPolarHBondContact O-CB 3.17Å; E316-R320 PolarHBondContact O-N 3.09Å; K317-R320 WeakPolarHBondContact O-CB 3.33Å; K317-R320 PolarHBondContact O-N 3.4Å; A318-R320 VanDerWaalsContact C-N 3.33Å; A318-R320 PolarHBondContact O-N 2.82Å; R320-K323 PolarHBondContact O-N 3.5Å
321D94.5Very high96.8Very high46 Ų4658.8 Ų58.825%0.24629%0.288CS..Hα-helixtrans-74-37.3-179.1-66.4-45.4000112.7K317 A318 L319 K323 R414 N415K317-D321 VanDerWaalsContact CG-OD2 3.3Å; K317-D321 WeakPolarHBondContact CG-OD2 3.04Å; K317-D321 WeakPolarHBondContact O-CB 3.39Å; K317-D321 PolarHBondContact O-N 3.47Å; A318-D321 PolarHBondContact O-N 2.72Å; A318-D321 VanDerWaalsContact O-N 3.17Å; L319-D321 VanDerWaalsContact C-N 3.32Å; L319-D321 PolarHBondContact O-N 3.24Å; D321-K323 PolarHBondContact O-N 3.19Å; D321-R414 VanDerWaalsContact CG-CZ 3.48Å; D321-R414 IonicContact OD1-CZ 3.96Å; D321-R414 IonicContact OD1-NH1 3.6Å; D321-R414 PolarHBondContact OD1-NH1 2.73Å; D321-R414 IonicContact OD1-NH2 2.89Å; D321-R414 IonicContact OD2-CZ 3.39Å; D321-R414 IonicContact OD2-NH1 2.72Å; D321-R414 PolarHBondContact OD2-NH1 2.64Å; D321-R414 IonicContact OD2-NH2 3.75Å; D321-R414 PolarHBondContact OD2-NH2 3.28Å; D321-N415 WeakPolarHBondContact CB-ND2 3.23Å
322A97.2Very high96.8Very high16 Ų1658.8 Ų58.813%0.13229%0.288CS..Hα-helixtrans-68.7-12.217000000112.6I207 K218 A318 L319 M324I207-A322 HydrophobicContact CB-CB 4.27Å; I207-A322 HydrophobicContact CD1-CB 3.89Å; I207-A322 HydrophobicContact CG2-CB 4.14Å; K218-A322 HydrophobicContact CB-CB 4.02Å; A318-A322 WeakPolarHBondContact O-CB 3.15Å; A318-A322 PolarHBondContact O-N 2.76Å; L319-A322 PolarHBondContact O-N 3Å; A322-M324 HydrophobicContact CB-CB 4.31Å; A322-M324 HydrophobicContact CB-CG 4.07Å; A322-M324 HydrophobicContact CB-SD 4.25Å; A322-M324 PolarHBondContact O-N 3.03Å
323K97.5Very high96.8Very high184 Ų18457.4 Ų57.480%0.828%0.281SS*.THydrogen-bonded Turntrans55.241.8-172.2-54.6174.9-176.5172.10111.8L319 R320 D321L319-K323 PolarHBondContact O-N 2.73Å; R320-K323 PolarHBondContact O-N 3.5Å; D321-K323 PolarHBondContact O-N 3.19Å
324M97.9Very high96.9Very high26 Ų2652.6 Ų52.613%0.12826%0.255CS..  trans-118.4137-179.1-70-177.2-176.600110.9N192 I207 K218 L319 A322 Q328 I329N192-M324 HydrophobicContact CB-CE 4.39Å; N192-M324 HydrophobicContact CB-SD 4.01Å; N192-M324 WeakPolarHBondContact OD1-CE 3.39Å; I207-M324 HydrophobicContact CG2-SD 3.84Å; K218-M324 HydrophobicContact CG-CE 4.1Å; L319-M324 PolarHBondContact O-N 2.74Å; A322-M324 HydrophobicContact CB-CB 4.31Å; A322-M324 HydrophobicContact CB-CG 4.07Å; A322-M324 HydrophobicContact CB-SD 4.25Å; A322-M324 PolarHBondContact O-N 3.03Å; M324-Q328 HydrophobicContact CB-CB 4.45Å; M324-I329 HydrophobicContact SD-CD1 4.18Å
325D96.8Very high97.1Very high113 Ų11352 Ų5260%0.60425%0.251SS*.  trans-75.6154.9165.3-76.6-49.5000111S327 Q328D325-S327 PolarHBondContact O-N 2.79Å; D325-S327 VanDerWaalsContact O-N 3.07Å; D325-Q328 HydrophobicContact CB-CG 4.49Å; D325-Q328 WeakPolarHBondContact O-CB 3.3Å; D325-Q328 PolarHBondContact O-N 3.43Å
326K96.8Very high97Very high66 Ų6652.5 Ų52.529%0.28726%0.256SS..G310 helixtrans-54.7-30.6177.6-58.4-175.7-173-169.50113.2L319 Q328 I329 F351 F352L319-K326 HydrophobicContact CD1-CG 3.79Å; K326-Q328 VanDerWaalsContact C-N 3.27Å; K326-Q328 PolarHBondContact O-N 3.3Å; K326-I329 PolarHBondContact O-N 3.39Å; K326-F351 HydrophobicContact CD-CD1 4.08Å; K326-F351 HydrophobicContact CD-CE1 3.78Å; K326-F351 HydrophobicContact CD-CZ 4.24Å; K326-F351 WeakPolarHBondContact CD-O 3.43Å; K326-F351 HydrophobicContact CG-CE1 4.2Å; K326-F351 VanDerWaalsContact NZ-CD2 3.29Å; K326-F351 VanDerWaalsContact NZ-CZ 3.26Å; K326-F351 PolarHBondContact NZ-O 3.13Å; K326-F352 HydrophobicContact CB-CD1 3.84Å; K326-F352 HydrophobicContact CB-CE1 3.96Å; K326-F352 HydrophobicContact CG-CD1 4.34Å; K326-F352 HydrophobicContact CG-CE1 4.21Å
327S96.8Very high96.9Very high101 Ų10149.8 Ų49.871%0.70625%0.251SS*.G310 helixtrans-69.8-22.6178.552.40000113.4D325D325-S327 PolarHBondContact O-N 2.79Å; D325-S327 VanDerWaalsContact O-N 3.07Å
328Q97.5Very high97.1Very high81 Ų8147.1 Ų47.138%0.37924%0.241SC..G310 helixtrans-83.1-17.1179.5-62.4178.3-93.300112.8N192 M324 D325 K326 H330N192-Q328 WeakPolarHBondContact CB-O 3.23Å; N192-Q328 PolarHBondContact ND2-O 3.11Å; M324-Q328 HydrophobicContact CB-CB 4.45Å; D325-Q328 HydrophobicContact CB-CG 4.49Å; D325-Q328 WeakPolarHBondContact O-CB 3.3Å; D325-Q328 PolarHBondContact O-N 3.43Å; K326-Q328 VanDerWaalsContact C-N 3.27Å; K326-Q328 PolarHBondContact O-N 3.3Å; Q328-H330 PolarHBondContact O-CE1 2.89Å; Q328-H330 PolarHBondContact O-N 3.23Å; Q328-H330 PolarHBondContact O-ND1 3.05Å; Q328-H330 VanDerWaalsContact O-ND1 3.12Å
329I97.9Very high97.2Very high0 Ų047.2 Ų47.20%024%0.242CC..  trans-73.8119.5172.9-57-53.7000108.3N192 L194 I207 L319 M324 K326 D331 I332 F352 K355N192-I329 HydrophobicContact CB-CD1 4.35Å; L194-I329 HydrophobicContact CB-CG2 3.83Å; I207-I329 HydrophobicContact CD1-CD1 4.17Å; I207-I329 HydrophobicContact CG1-CD1 4.35Å; I207-I329 HydrophobicContact CG2-CD1 3.91Å; L319-I329 HydrophobicContact CD2-CD1 3.93Å; L319-I329 HydrophobicContact CD2-CG1 3.64Å; M324-I329 HydrophobicContact SD-CD1 4.18Å; K326-I329 PolarHBondContact O-N 3.39Å; I329-D331 WeakPolarHBondContact CG2-O 3.43Å; I329-I332 HydrophobicContact CG2-CG1 4.12Å; I329-F352 HydrophobicContact CB-CE1 4.07Å; I329-F352 HydrophobicContact CG1-CE1 3.94Å; I329-F352 HydrophobicContact CG2-CE1 4.36Å; I329-K355 WeakPolarHBondContact O-CE 3.46Å; I329-K355 PolarHBondContact O-NZ 3.42Å
330H96Very high97.2Very high88 Ų8852.1 Ų52.141%0.40726%0.259SS..  trans-81.3-53.1-178.8-62.981.1000110.6N192 Q328 K355N192-H330 PolarHBondContact N-ND1 3.33Å; N192-H330 VanDerWaalsContact N-ND1 3.12Å; N192-H330 WeakPolarHBondContact O-CB 3.33Å; N192-H330 PolarHBondContact O-N 2.69Å; N192-H330 PolarHBondContact O-ND1 3.1Å; Q328-H330 PolarHBondContact O-CE1 2.89Å; Q328-H330 PolarHBondContact O-N 3.23Å; Q328-H330 PolarHBondContact O-ND1 3.05Å; Q328-H330 VanDerWaalsContact O-ND1 3.12Å; H330-K355 PolarHBondContact O-NZ 2.81Å
331D96.1Very high97.2Very high29 Ų2944 Ų4416%0.15523%0.229CC..EExtended strand (participates in β ladder)trans-122143.8-176.2-67.3-71.9000111.2Y181 R191 V193 L194 I329 N358Y181-D331 PolarHBondContact OH-OD2 3.3Å; R191-D331 IonicContact CZ-OD2 2.93Å; R191-D331 IonicContact NE-OD2 3.29Å; R191-D331 IonicContact NH1-OD2 2.75Å; R191-D331 PolarHBondContact NH1-OD2 3.14Å; V193-D331 WeakPolarHBondContact CA-O 3.31Å; V193-D331 HydrophobicContact CG1-CB 4.19Å; V193-D331 HydrophobicContact CG2-CB 4.31Å; L194-D331 PolarHBondContact N-O 3.37Å; I329-D331 WeakPolarHBondContact CG2-O 3.43Å; D331-N358 PolarHBondContact OD1-ND2 3.24Å
332I98Very high97.4Very high0 Ų043.6 Ų43.60%023%0.229CC..EExtended strand (participates in β ladder)trans-117.6104.7171.7-59.6162.7000107.1L194 I329 L348 F352 K355 L357 N358L194-I332 HydrophobicContact CD2-CG2 4.01Å; L194-I332 CarbonylContact O-C 3.59Å; L194-I332 WeakPolarHBondContact O-CA 3.48Å; I329-I332 HydrophobicContact CG2-CG1 4.12Å; I332-L348 HydrophobicContact CG2-CD2 3.58Å; I332-L348 HydrophobicContact CG2-CG 4.13Å; I332-F352 HydrophobicContact CD1-CB 3.74Å; I332-F352 HydrophobicContact CD1-CD1 3.91Å; I332-F352 HydrophobicContact CD1-CD2 3.36Å; I332-F352 HydrophobicContact CD1-CE1 4.38Å; I332-F352 HydrophobicContact CD1-CE2 3.9Å; I332-F352 HydrophobicContact CD1-CG 3.4Å; I332-F352 HydrophobicContact CD1-CZ 4.4Å; I332-F352 HydrophobicContact CG1-CD2 4.31Å; I332-F352 HydrophobicContact CG1-CE2 4.39Å; I332-F352 HydrophobicContact CG1-CG 4.47Å; I332-K355 HydrophobicContact CD1-CB 4.35Å; I332-K355 HydrophobicContact CD1-CD 3.66Å; I332-K355 HydrophobicContact CD1-CG 4.07Å; I332-K355 HydrophobicContact CG1-CD 4.14Å; I332-L357 HydrophobicContact CB-CD2 4.03Å; I332-L357 HydrophobicContact CD1-CD2 4.03Å; I332-L357 HydrophobicContact CG2-CD2 3.78Å; I332-N358 WeakPolarHBondContact O-CA 3.37Å; I332-N358 VanDerWaalsContact O-CB 3.23Å; I332-N358 WeakPolarHBondContact O-CB 3.26Å; I332-N358 PolarHBondContact O-N 3.07Å
333V97.7Very high97.4Very high0 Ų045.6 Ų45.60%024%0.235CC..EExtended strand (participates in β ladder)trans-94.5127.9-175.5-178.90000109.4Y181 V193 L194 I195 F196 V335 N358 I361Y181-V333 HydrophobicContact CD1-CG2 4.3Å; Y181-V333 HydrophobicContact CD2-CG2 3.58Å; Y181-V333 HydrophobicContact CE2-CG2 4Å; Y181-V333 HydrophobicContact CG-CG2 3.76Å; V193-V333 HydrophobicContact CG1-CG2 3.61Å; L194-V333 PolarHBondContact O-N 2.99Å; I195-V333 HydrophobicContact CD1-CB 3.77Å; I195-V333 HydrophobicContact CD1-CG1 4.23Å; I195-V333 HydrophobicContact CD1-CG2 4.1Å; F196-V333 PolarHBondContact N-O 3.43Å; V333-V335 HydrophobicContact CG1-CG2 4.21Å; V333-N358 HydrophobicContact CG2-CB 4.19Å; V333-I361 HydrophobicContact CG1-CD1 3.41Å; V333-I361 VanDerWaalsContact CG1-CD1 3.41Å; V333-I361 HydrophobicContact CG1-CG1 4.02Å
334L98.2Very high97.5Very high7 Ų736.9 Ų36.94%0.03720%0.197CC..EExtended strand (participates in β ladder)trans-91.6128.2178-59.2-177.7000110.7F196 T339 Q345 L348 L357 N358 K359F196-L334 HydrophobicContact CB-CD2 4.31Å; F196-L334 HydrophobicContact CD1-CD2 4.37Å; L334-T339 HydrophobicContact CB-CG2 4.22Å; L334-T339 HydrophobicContact CD2-CG2 4.41Å; L334-Q345 HydrophobicContact CD1-CG 3.98Å; L334-L348 HydrophobicContact CD2-CD2 3.85Å; L334-L357 HydrophobicContact CD1-CB 4.15Å; L334-L357 HydrophobicContact CD1-CD1 3.92Å; L334-L357 HydrophobicContact CD2-CD1 4.23Å; L334-L357 HydrophobicContact CG-CB 4.36Å; L334-L357 HydrophobicContact CG-CD1 4.46Å; L334-N358 PolarHBondContact N-O 3.13Å; L334-K359 HydrophobicContact CD1-CG 4.36Å
335V97.7Very high97.5Very high1 Ų137.1 Ų37.11%0.00620%0.198CC..EExtended strand (participates in β ladder)trans-131.5143.8179.9-174.90000109.1A177 I195 F196 D197 L198 V333 T339 V367A177-V335 HydrophobicContact CB-CB 4.29Å; A177-V335 HydrophobicContact CB-CG1 3.85Å; A177-V335 HydrophobicContact CB-CG2 3.47Å; A177-V335 VanDerWaalsContact CB-CG2 3.47Å; I195-V335 HydrophobicContact CG2-CB 4.46Å; I195-V335 HydrophobicContact CG2-CG2 3.69Å; F196-V335 PolarHBondContact O-N 3.07Å; D197-V335 WeakPolarHBondContact CA-O 3.5Å; D197-V335 HydrophobicContact CB-CB 3.99Å; D197-V335 HydrophobicContact CB-CG1 4.28Å; L198-V335 PolarHBondContact N-O 3.04Å; V333-V335 HydrophobicContact CG1-CG2 4.21Å; V335-T339 WeakPolarHBondContact O-CG2 3.46Å; V335-V367 HydrophobicContact CG1-CG2 3.68Å
336G96.9Very high97.5Very high10 Ų1037.1 Ų37.110%0.10319%0.192CC..SBendtrans83.8140.3-17800000113.9L198 S338 T339 P363L198-G336 CarbonylContact O-C 3.55Å; L198-G336 VanDerWaalsContact O-C 3.31Å; L198-G336 WeakPolarHBondContact O-CA 3.43Å; G336-S338 PolarHBondContact O-N 3.45Å; G336-S338 VanDerWaalsContact O-N 3.12Å; G336-T339 WeakPolarHBondContact O-CB 3.2Å; G336-T339 PolarHBondContact O-N 2.89Å; G336-T339 PolarHBondContact O-OG1 3.43Å; G336-P363 PolarHBondContact N-O 2.89Å
337G96.1Very high97.6Very high29 Ų2935.1 Ų35.130%0.29918%0.184SC..G310 helixtrans-61.3-23.4-172.300000115.6T339 R340 D364G337-T339 PolarHBondContact O-N 3.19Å; G337-R340 WeakPolarHBondContact O-CB 3.33Å; G337-R340 WeakPolarHBondContact O-CG 3.49Å; G337-R340 PolarHBondContact O-N 2.94Å; G337-D364 WeakPolarHBondContact CA-OD1 3.49Å; G337-D364 PolarHBondContact N-OD1 2.88Å
338S98Very high97.7Very high10 Ų1030.3 Ų30.37%0.0715%0.151CC..G310 helixtrans-73.3-15.8178.3-61.40000112.7L198 G199 G228 G336 R340 I341L198-S338 VanDerWaalsContact O-CB 3.26Å; L198-S338 WeakPolarHBondContact O-CB 3.26Å; L198-S338 PolarHBondContact O-N 3.17Å; G199-S338 PolarHBondContact O-OG 3.37Å; G228-S338 WeakPolarHBondContact CA-OG 3.47Å; G228-S338 PolarHBondContact N-OG 3.37Å; G336-S338 PolarHBondContact O-N 3.45Å; G336-S338 VanDerWaalsContact O-N 3.12Å; S338-R340 PolarHBondContact O-N 2.76Å; S338-I341 WeakPolarHBondContact O-CB 3.23Å; S338-I341 VanDerWaalsContact O-CG1 3.32Å; S338-I341 WeakPolarHBondContact O-CG1 3.3Å; S338-I341 PolarHBondContact O-N 2.88Å
339T98Very high97.7Very high2 Ų229.5 Ų29.51%0.01215%0.147CC..G310 helixtrans-66.2-13.8170.962.90000113.3F196 L198 L334 V335 G336 G337 I341 Q345F196-T339 HydrophobicContact CD1-CG2 3.88Å; F196-T339 HydrophobicContact CE1-CG2 4.27Å; L198-T339 HydrophobicContact CB-CG2 3.82Å; L334-T339 HydrophobicContact CB-CG2 4.22Å; L334-T339 HydrophobicContact CD2-CG2 4.41Å; V335-T339 WeakPolarHBondContact O-CG2 3.46Å; G336-T339 WeakPolarHBondContact O-CB 3.2Å; G336-T339 PolarHBondContact O-N 2.89Å; G336-T339 PolarHBondContact O-OG1 3.43Å; G337-T339 PolarHBondContact O-N 3.19Å; T339-I341 PolarHBondContact O-N 3.2Å; T339-Q345 VanDerWaalsContact O-CG 3.24Å; T339-Q345 WeakPolarHBondContact O-CG 3.46Å; T339-Q345 PolarHBondContact O-NE2 3.38Å
340R97.5Very high97.7Very high111 Ų11134 Ų3442%0.41917%0.171SC..G310 helixtrans-69.4-16174.5-61.4-177.1-177.3-69.75.3113G337 S338 P342 N362 P363 D364G337-R340 WeakPolarHBondContact O-CB 3.33Å; G337-R340 WeakPolarHBondContact O-CG 3.49Å; G337-R340 PolarHBondContact O-N 2.94Å; S338-R340 PolarHBondContact O-N 2.76Å; R340-P342 VanDerWaalsContact O-CD 3.29Å; R340-P342 WeakPolarHBondContact O-CD 3.33Å; R340-N362 PolarHBondContact NH2-OD1 2.71Å; R340-P363 VanDerWaalsContact NH2-CG 3.28Å; R340-D364 IonicContact CZ-OD2 3.78Å; R340-D364 IonicContact NE-OD2 3.92Å; R340-D364 PolarHBondContact NE-OD2 2.82Å; R340-D364 IonicContact NH2-OD2 2.73Å; R340-D364 PolarHBondContact NH2-OD2 2.81Å
341I98.3Very high97.8Very high4 Ų430.7 Ų30.72%0.02116%0.156CC..  trans-64.6119.4178.3-64.1170000109.5F231 F300 F308 S338 T339 K343 V344 Q345F231-I341 HydrophobicContact CD2-CD1 3.63Å; F231-I341 HydrophobicContact CE2-CD1 3.71Å; F300-I341 HydrophobicContact CE1-CD1 4.36Å; F300-I341 HydrophobicContact CE1-CG2 4.06Å; F300-I341 HydrophobicContact CZ-CD1 4.15Å; F308-I341 HydrophobicContact CE1-CD1 4.15Å; F308-I341 HydrophobicContact CE1-CG2 4.26Å; F308-I341 HydrophobicContact CE2-CG2 4.37Å; F308-I341 HydrophobicContact CZ-CD1 4.31Å; F308-I341 HydrophobicContact CZ-CG2 3.82Å; S338-I341 WeakPolarHBondContact O-CB 3.23Å; S338-I341 VanDerWaalsContact O-CG1 3.32Å; S338-I341 WeakPolarHBondContact O-CG1 3.3Å; S338-I341 PolarHBondContact O-N 2.88Å; T339-I341 PolarHBondContact O-N 3.2Å; I341-K343 HydrophobicContact CG2-CB 4.19Å; I341-K343 PolarHBondContact O-N 2.86Å; I341-K343 VanDerWaalsContact O-N 3.14Å; I341-V344 HydrophobicContact CB-CB 4.37Å; I341-V344 HydrophobicContact CB-CG2 3.98Å; I341-V344 HydrophobicContact CG2-CG2 4.07Å; I341-V344 PolarHBondContact O-N 3.34Å; I341-V344 VanDerWaalsContact O-N 3.08Å; I341-Q345 PolarHBondContact O-N 3.33Å
342P97.9Very high97.9Very high37 Ų3729.6 Ų29.624%0.2415%0.15CC..Hα-helixtrans-57.5-33.9-176.1-29.636.3000114.1S273 R340 Q345 K346S273-P342 VanDerWaalsContact O-CG 3.25Å; S273-P342 WeakPolarHBondContact O-CG 3.31Å; R340-P342 VanDerWaalsContact O-CD 3.29Å; R340-P342 WeakPolarHBondContact O-CD 3.33Å; P342-Q345 PolarHBondContact O-N 2.97Å; P342-K346 WeakPolarHBondContact O-CB 3.15Å; P342-K346 PolarHBondContact O-N 2.87Å
343K98.2Very high97.9Very high58 Ų5836.3 Ų36.325%0.25219%0.186SC..Hα-helixtrans-66.2-38.5178.8-172.654.6174.1-179.80113.3E301 F308 I341 K346 L347E301-K343 HydrophobicContact CB-CG 4.46Å; E301-K343 HydrophobicContact CG-CB 3.73Å; E301-K343 HydrophobicContact CG-CG 4Å; F308-K343 HydrophobicContact CD2-CB 4Å; F308-K343 HydrophobicContact CD2-CG 3.52Å; F308-K343 HydrophobicContact CE2-CB 3.97Å; F308-K343 HydrophobicContact CE2-CG 3.95Å; F308-K343 HydrophobicContact CG-CG 4.31Å; I341-K343 HydrophobicContact CG2-CB 4.19Å; I341-K343 PolarHBondContact O-N 2.86Å; I341-K343 VanDerWaalsContact O-N 3.14Å; K343-K346 PolarHBondContact O-N 2.68Å; K343-L347 HydrophobicContact CD-CD1 4.47Å; K343-L347 HydrophobicContact CD-CG 4.35Å; K343-L347 HydrophobicContact CG-CD1 4.27Å; K343-L347 WeakPolarHBondContact O-CB 3.34Å; K343-L347 VanDerWaalsContact O-CG 3.3Å; K343-L347 WeakPolarHBondContact O-CG 3.42Å; K343-L347 PolarHBondContact O-N 2.89Å
344V98.2Very high97.8Very high1 Ų139 Ų391%0.00621%0.214CC..Hα-helixtrans-63.8-49.3176.1173.20000109.4F196 L198 F308 I341 K346 L347 L348F196-V344 HydrophobicContact CE1-CG1 3.58Å; F196-V344 HydrophobicContact CZ-CG1 3.85Å; L198-V344 HydrophobicContact CD2-CG1 3.92Å; L198-V344 HydrophobicContact CD2-CG2 3.96Å; F308-V344 HydrophobicContact CD1-CG2 3.77Å; F308-V344 HydrophobicContact CE1-CG2 3.95Å; F308-V344 HydrophobicContact CG-CG2 4.45Å; I341-V344 HydrophobicContact CB-CB 4.37Å; I341-V344 HydrophobicContact CB-CG2 3.98Å; I341-V344 HydrophobicContact CG2-CG2 4.07Å; I341-V344 PolarHBondContact O-N 3.34Å; I341-V344 VanDerWaalsContact O-N 3.08Å; V344-K346 PolarHBondContact O-N 3.38Å; V344-L347 PolarHBondContact O-N 3.29Å; V344-L348 WeakPolarHBondContact O-CB 3.47Å; V344-L348 PolarHBondContact O-N 2.86Å
345Q98.2Very high97.8Very high31 Ų3141.6 Ų41.615%0.14522%0.224CC..Hα-helixtrans-58.6-47.1176.8-66.7-176.522.400111.8L334 T339 I341 P342 L347 L348 Q349 L357 K359L334-Q345 HydrophobicContact CD1-CG 3.98Å; T339-Q345 VanDerWaalsContact O-CG 3.24Å; T339-Q345 WeakPolarHBondContact O-CG 3.46Å; T339-Q345 PolarHBondContact O-NE2 3.38Å; I341-Q345 PolarHBondContact O-N 3.33Å; P342-Q345 PolarHBondContact O-N 2.97Å; Q345-L347 PolarHBondContact O-N 2.87Å; Q345-L348 PolarHBondContact O-N 3.25Å; Q345-Q349 WeakPolarHBondContact O-CB 3.32Å; Q345-Q349 VanDerWaalsContact O-CG 3.31Å; Q345-Q349 WeakPolarHBondContact O-CG 3.36Å; Q345-Q349 PolarHBondContact O-N 3.02Å; Q345-L357 HydrophobicContact CB-CD1 3.59Å; Q345-L357 HydrophobicContact CG-CD1 3.83Å; Q345-K359 VanDerWaalsContact OE1-CE 3.26Å
346K98.2Very high97.8Very high113 Ų11349.6 Ų49.649%0.49126%0.262SS..Hα-helixtrans-60.3-47.5179.2-179.4172.4-179.6174.20112P342 K343 V344 L348 Q349 D350P342-K346 WeakPolarHBondContact O-CB 3.15Å; P342-K346 PolarHBondContact O-N 2.87Å; K343-K346 PolarHBondContact O-N 2.68Å; V344-K346 PolarHBondContact O-N 3.38Å; K346-L348 VanDerWaalsContact C-N 3.28Å; K346-L348 PolarHBondContact O-N 2.89Å; K346-Q349 PolarHBondContact O-N 3.46Å; K346-D350 WeakPolarHBondContact CG-OD2 3.39Å; K346-D350 VanDerWaalsContact O-CB 3.31Å; K346-D350 WeakPolarHBondContact O-CB 3.27Å; K346-D350 PolarHBondContact O-N 3.34Å
347L98.1Very high97.8Very high24 Ų2449.5 Ų49.513%0.12626%0.259CS..Hα-helixtrans-60.4-40.5178.3-75.2171.1000111.7F308 K343 V344 Q345 F351F308-L347 HydrophobicContact CB-CD1 3.69Å; K343-L347 HydrophobicContact CD-CD1 4.47Å; K343-L347 HydrophobicContact CD-CG 4.35Å; K343-L347 HydrophobicContact CG-CD1 4.27Å; K343-L347 WeakPolarHBondContact O-CB 3.34Å; K343-L347 VanDerWaalsContact O-CG 3.3Å; K343-L347 WeakPolarHBondContact O-CG 3.42Å; K343-L347 PolarHBondContact O-N 2.89Å; V344-L347 PolarHBondContact O-N 3.29Å; Q345-L347 PolarHBondContact O-N 2.87Å; L347-F351 VanDerWaalsContact O-CB 3.22Å; L347-F351 WeakPolarHBondContact O-CB 3.41Å; L347-F351 PolarHBondContact O-N 3.07Å
348L98Very high97.8Very high1 Ų149.3 Ų49.31%0.00525%0.251CS..Hα-helixtrans-67.9-43.9177.9-168.859.9000111.8F196 V315 I332 L334 V344 Q345 K346 F351 F352 L357F196-L348 HydrophobicContact CB-CD2 4.03Å; F196-L348 HydrophobicContact CD1-CD2 4.22Å; F196-L348 HydrophobicContact CD2-CD1 3.81Å; F196-L348 HydrophobicContact CD2-CD2 3.65Å; F196-L348 HydrophobicContact CD2-CG 4.38Å; F196-L348 HydrophobicContact CE2-CD1 3.94Å; F196-L348 HydrophobicContact CE2-CD2 4.1Å; F196-L348 HydrophobicContact CG-CD2 3.7Å; V315-L348 HydrophobicContact CG2-CD1 4.24Å; I332-L348 HydrophobicContact CG2-CD2 3.58Å; I332-L348 HydrophobicContact CG2-CG 4.13Å; L334-L348 HydrophobicContact CD2-CD2 3.85Å; V344-L348 WeakPolarHBondContact O-CB 3.47Å; V344-L348 PolarHBondContact O-N 2.86Å; Q345-L348 PolarHBondContact O-N 3.25Å; K346-L348 VanDerWaalsContact C-N 3.28Å; K346-L348 PolarHBondContact O-N 2.89Å; L348-F351 PolarHBondContact O-N 2.88Å; L348-F352 HydrophobicContact CD1-CD2 3.92Å; L348-F352 HydrophobicContact CD1-CE2 3.75Å; L348-F352 HydrophobicContact CG-CD2 4.35Å; L348-F352 WeakPolarHBondContact O-CD2 3.48Å; L348-F352 PolarHBondContact O-N 3.16Å; L348-L357 HydrophobicContact CB-CD2 4.43Å; L348-L357 HydrophobicContact CD2-CD2 3.98Å; L348-L357 HydrophobicContact CG-CD2 4.05Å
349Q98.2Very high97.5Very high63 Ų6355.1 Ų55.129%0.29428%0.275SS..Hα-helixtrans-61-49174.3-72.5-179.9-59.300111.7Q345 K346 F351 F352 N353 G354 L357Q345-Q349 WeakPolarHBondContact O-CB 3.32Å; Q345-Q349 VanDerWaalsContact O-CG 3.31Å; Q345-Q349 WeakPolarHBondContact O-CG 3.36Å; Q345-Q349 PolarHBondContact O-N 3.02Å; K346-Q349 PolarHBondContact O-N 3.46Å; Q349-F351 VanDerWaalsContact C-N 3.27Å; Q349-F351 PolarHBondContact O-N 3.3Å; Q349-F352 CarbonylContact O-C 3.6Å; Q349-F352 VanDerWaalsContact O-C 3.29Å; Q349-F352 PolarHBondContact O-N 2.94Å; Q349-F352 VanDerWaalsContact O-N 3.11Å; Q349-N353 PolarHBondContact O-N 3.11Å; Q349-N353 VanDerWaalsContact O-N 3.15Å; Q349-G354 WeakPolarHBondContact O-CA 3.32Å; Q349-G354 PolarHBondContact O-N 3.25Å; Q349-L357 HydrophobicContact CG-CD1 3.76Å; Q349-L357 HydrophobicContact CG-CD2 3.83Å; Q349-L357 HydrophobicContact CG-CG 3.51Å
350D98.1Very high97.2Very high94 Ų9458.3 Ų58.350%0.50330%0.297SS..Hα-helixtrans-58.2-43.7177.9-69.6-16.2000110K346 F352 N353K346-D350 WeakPolarHBondContact CG-OD2 3.39Å; K346-D350 VanDerWaalsContact O-CB 3.31Å; K346-D350 WeakPolarHBondContact O-CB 3.27Å; K346-D350 PolarHBondContact O-N 3.34Å; D350-F352 VanDerWaalsContact C-N 3.3Å; D350-F352 PolarHBondContact O-N 2.66Å; D350-N353 PolarHBondContact O-N 2.99Å; D350-N353 VanDerWaalsContact O-N 3.14Å
351F98.1Very high97Very high19 Ų1954.5 Ų54.58%0.08329%0.285CS..Hα-helixtrans-61.2-37.2177-179.3-89000112.7L312 V315 E316 L319 K326 L347 L348 Q349 N353L312-F351 HydrophobicContact CD1-CD2 4.29Å; L312-F351 HydrophobicContact CD2-CB 3.93Å; L312-F351 HydrophobicContact CD2-CD2 4.1Å; L312-F351 HydrophobicContact CD2-CG 4.05Å; V315-F351 HydrophobicContact CG1-CD1 3.99Å; V315-F351 HydrophobicContact CG1-CE1 3.48Å; V315-F351 VanDerWaalsContact CG1-CE1 3.48Å; V315-F351 HydrophobicContact CG1-CZ 4.01Å; E316-F351 HydrophobicContact CG-CE2 3.42Å; E316-F351 VanDerWaalsContact CG-CE2 3.42Å; E316-F351 HydrophobicContact CG-CZ 3.45Å; E316-F351 VanDerWaalsContact CG-CZ 3.45Å; E316-F351 WeakPolarHBondContact OE1-CE2 3.4Å; L319-F351 HydrophobicContact CD1-CE1 3.68Å; L319-F351 HydrophobicContact CD1-CZ 4.03Å; K326-F351 HydrophobicContact CD-CD1 4.08Å; K326-F351 HydrophobicContact CD-CE1 3.78Å; K326-F351 HydrophobicContact CD-CZ 4.24Å; K326-F351 WeakPolarHBondContact CD-O 3.43Å; K326-F351 HydrophobicContact CG-CE1 4.2Å; K326-F351 VanDerWaalsContact NZ-CD2 3.29Å; K326-F351 VanDerWaalsContact NZ-CZ 3.26Å; K326-F351 PolarHBondContact NZ-O 3.13Å; L347-F351 VanDerWaalsContact O-CB 3.22Å; L347-F351 WeakPolarHBondContact O-CB 3.41Å; L347-F351 PolarHBondContact O-N 3.07Å; L348-F351 PolarHBondContact O-N 2.88Å; Q349-F351 VanDerWaalsContact C-N 3.27Å; Q349-F351 PolarHBondContact O-N 3.3Å; F351-N353 VanDerWaalsContact C-N 3.33Å
352F98.2Very high96.9Very high7 Ų757.2 Ų57.23%0.03130%0.299CS..THydrogen-bonded Turntrans-93.626.8176-77.3-84.7000113.5L194 V315 L319 K326 I329 I332 L348 Q349 D350 G354 K355L194-F352 HydrophobicContact CD1-CE2 4.22Å; L194-F352 HydrophobicContact CD1-CZ 3.76Å; V315-F352 HydrophobicContact CG1-CE2 3.8Å; V315-F352 HydrophobicContact CG1-CZ 4.01Å; L319-F352 HydrophobicContact CD1-CE1 4.33Å; L319-F352 HydrophobicContact CD1-CZ 4.07Å; K326-F352 HydrophobicContact CB-CD1 3.84Å; K326-F352 HydrophobicContact CB-CE1 3.96Å; K326-F352 HydrophobicContact CG-CD1 4.34Å; K326-F352 HydrophobicContact CG-CE1 4.21Å; I329-F352 HydrophobicContact CB-CE1 4.07Å; I329-F352 HydrophobicContact CG1-CE1 3.94Å; I329-F352 HydrophobicContact CG2-CE1 4.36Å; I332-F352 HydrophobicContact CD1-CB 3.74Å; I332-F352 HydrophobicContact CD1-CD1 3.91Å; I332-F352 HydrophobicContact CD1-CD2 3.36Å; I332-F352 HydrophobicContact CD1-CE1 4.38Å; I332-F352 HydrophobicContact CD1-CE2 3.9Å; I332-F352 HydrophobicContact CD1-CG 3.4Å; I332-F352 HydrophobicContact CD1-CZ 4.4Å; I332-F352 HydrophobicContact CG1-CD2 4.31Å; I332-F352 HydrophobicContact CG1-CE2 4.39Å; I332-F352 HydrophobicContact CG1-CG 4.47Å; L348-F352 HydrophobicContact CD1-CD2 3.92Å; L348-F352 HydrophobicContact CD1-CE2 3.75Å; L348-F352 HydrophobicContact CG-CD2 4.35Å; L348-F352 WeakPolarHBondContact O-CD2 3.48Å; L348-F352 PolarHBondContact O-N 3.16Å; Q349-F352 CarbonylContact O-C 3.6Å; Q349-F352 VanDerWaalsContact O-C 3.29Å; Q349-F352 PolarHBondContact O-N 2.94Å; Q349-F352 VanDerWaalsContact O-N 3.11Å; D350-F352 VanDerWaalsContact C-N 3.3Å; D350-F352 PolarHBondContact O-N 2.66Å; F352-G354 VanDerWaalsContact C-N 3.31Å; F352-G354 PolarHBondContact O-N 3.26Å; F352-K355 HydrophobicContact CB-CB 3.84Å; F352-K355 HydrophobicContact CB-CD 4.47Å; F352-K355 WeakPolarHBondContact O-CB 3.42Å; F352-K355 PolarHBondContact O-N 3.37Å
353N97.2Very high96.9Very high141 Ų14156.1 Ų56.175%0.75429%0.292SS*.THydrogen-bonded Turntrans57.638.2174.4-51.4-49.4000114Q349 D350 F351Q349-N353 PolarHBondContact O-N 3.11Å; Q349-N353 VanDerWaalsContact O-N 3.15Å; D350-N353 PolarHBondContact O-N 2.99Å; D350-N353 VanDerWaalsContact O-N 3.14Å; F351-N353 VanDerWaalsContact C-N 3.33Å
354G96.9Very high96.8Very high57 Ų5756.1 Ų56.159%0.58830%0.295SS*.THydrogen-bonded Turntrans82.89.9179.100000114.9Q349 F352 E356Q349-G354 WeakPolarHBondContact O-CA 3.32Å; Q349-G354 PolarHBondContact O-N 3.25Å; F352-G354 VanDerWaalsContact C-N 3.31Å; F352-G354 PolarHBondContact O-N 3.26Å; G354-E356 PolarHBondContact O-N 3.08Å
355K97.7Very high96.8Very high61 Ų6157.3 Ų57.327%0.26530%0.301SS..PPolyproline II helixtrans-54135.5174.2-179.2174.6-81.5-94.10110.9I329 H330 I332 F352I329-K355 WeakPolarHBondContact O-CE 3.46Å; I329-K355 PolarHBondContact O-NZ 3.42Å; H330-K355 PolarHBondContact O-NZ 2.81Å; I332-K355 HydrophobicContact CD1-CB 4.35Å; I332-K355 HydrophobicContact CD1-CD 3.66Å; I332-K355 HydrophobicContact CD1-CG 4.07Å; I332-K355 HydrophobicContact CG1-CD 4.14Å; F352-K355 HydrophobicContact CB-CB 3.84Å; F352-K355 HydrophobicContact CB-CD 4.47Å; F352-K355 WeakPolarHBondContact O-CB 3.42Å; F352-K355 PolarHBondContact O-N 3.37Å
356E97.5Very high96.7Very high169 Ų16956 Ų5679%0.7930%0.295SS*.PPolyproline II helixtrans-67.3134.9177.9-170.7173.5-176.300111G354G354-E356 PolarHBondContact O-N 3.08Å
357L97.9Very high96.7Very high8 Ų850.9 Ų50.94%0.04227%0.273CS..PPolyproline II helixtrans-83.5135.8177.4-55.3179.8000109.7I332 L334 Q345 L348 Q349 K359I332-L357 HydrophobicContact CB-CD2 4.03Å; I332-L357 HydrophobicContact CD1-CD2 4.03Å; I332-L357 HydrophobicContact CG2-CD2 3.78Å; L334-L357 HydrophobicContact CD1-CB 4.15Å; L334-L357 HydrophobicContact CD1-CD1 3.92Å; L334-L357 HydrophobicContact CD2-CD1 4.23Å; L334-L357 HydrophobicContact CG-CB 4.36Å; L334-L357 HydrophobicContact CG-CD1 4.46Å; Q345-L357 HydrophobicContact CB-CD1 3.59Å; Q345-L357 HydrophobicContact CG-CD1 3.83Å; L348-L357 HydrophobicContact CB-CD2 4.43Å; L348-L357 HydrophobicContact CD2-CD2 3.98Å; L348-L357 HydrophobicContact CG-CD2 4.05Å; Q349-L357 HydrophobicContact CG-CD1 3.76Å; Q349-L357 HydrophobicContact CG-CD2 3.83Å; Q349-L357 HydrophobicContact CG-CG 3.51Å; L357-K359 PolarHBondContact O-N 2.96Å
358N95.2Very high96.7Very high24 Ų2449.7 Ų49.713%0.12827%0.267CS..BIsolated β-bridgetrans-78.5114.9178.7-165.6-50.8000110.4Y181 D331 I332 V333 L334 S360Y181-N358 WeakPolarHBondContact CE2-ND2 3.48Å; D331-N358 PolarHBondContact OD1-ND2 3.24Å; I332-N358 WeakPolarHBondContact O-CA 3.37Å; I332-N358 VanDerWaalsContact O-CB 3.23Å; I332-N358 WeakPolarHBondContact O-CB 3.26Å; I332-N358 PolarHBondContact O-N 3.07Å; V333-N358 HydrophobicContact CG2-CB 4.19Å; L334-N358 PolarHBondContact N-O 3.13Å; N358-S360 WeakPolarHBondContact OD1-CB 3.13Å; N358-S360 PolarHBondContact OD1-N 2.9Å; N358-S360 PolarHBondContact OD1-OG 3.22Å
359K92.7Very high96.7Very high133 Ų13352 Ų5258%0.57828%0.276SS*.  trans-114.722.9179.3-60.9176.1179.1179.90112L334 Q345 L357 I361L334-K359 HydrophobicContact CD1-CG 4.36Å; Q345-K359 VanDerWaalsContact OE1-CE 3.26Å; L357-K359 PolarHBondContact O-N 2.96Å; K359-I361 VanDerWaalsContact C-N 3.28Å; K359-I361 PolarHBondContact O-N 2.84Å
360S91.8Very high96.6Very high69 Ų6949 Ų4948%0.48326%0.262SS..SBendtrans-77.5-11.3-173.264.20000114.5N358N358-S360 WeakPolarHBondContact OD1-CB 3.13Å; N358-S360 PolarHBondContact OD1-N 2.9Å; N358-S360 PolarHBondContact OD1-OG 3.22Å
361I93.4Very high96.6Very high30 Ų3044.5 Ų44.515%0.15424%0.238CC..SBendtrans-117.1154.4175.867.1179.2000110.3V333 K359 P363 A366V333-I361 HydrophobicContact CG1-CD1 3.41Å; V333-I361 VanDerWaalsContact CG1-CD1 3.41Å; V333-I361 HydrophobicContact CG1-CG1 4.02Å; K359-I361 VanDerWaalsContact C-N 3.28Å; K359-I361 PolarHBondContact O-N 2.84Å; I361-P363 WeakPolarHBondContact O-CD 3.17Å; I361-A366 HydrophobicContact CD1-CB 3.59Å; I361-A366 HydrophobicContact CG1-CB 4.21Å
362N96Very high96.5Very high61 Ų6143.6 Ų43.633%0.32623%0.234SC..  trans-74.5115.6173-175.1-11000109.7R340 D364 E365 A366R340-N362 PolarHBondContact NH2-OD1 2.71Å; N362-D364 PolarHBondContact O-N 2.96Å; N362-D364 VanDerWaalsContact O-N 3.16Å; N362-D364 PolarHBondContact OD1-N 3.15Å; N362-D364 VanDerWaalsContact OD1-N 3.15Å; N362-E365 HydrophobicContact CB-CB 4.14Å; N362-E365 HydrophobicContact CB-CG 4.34Å; N362-E365 WeakPolarHBondContact ND2-CG 3.35Å; N362-E365 PolarHBondContact ND2-OE1 3.08Å; N362-E365 PolarHBondContact ND2-OE2 2.85Å; N362-E365 PolarHBondContact O-N 3.45Å; N362-E365 VanDerWaalsContact O-N 3.15Å; N362-A366 WeakPolarHBondContact O-CB 3.38Å; N362-A366 PolarHBondContact O-N 2.76Å
363P97Very high96.4Very high15 Ų1543.2 Ų43.210%0.09723%0.232CC..THydrogen-bonded Turntrans-64.1-22.4-175.527.1-36.8000113.5G336 R340 I361G336-P363 PolarHBondContact N-O 2.89Å; R340-P363 VanDerWaalsContact NH2-CG 3.28Å; I361-P363 WeakPolarHBondContact O-CD 3.17Å
364D96.8Very high96.3Very high57 Ų5736.7 Ų36.731%0.30520%0.197SC..THydrogen-bonded Turntrans-88.5-10.7-178.7-58.6-61.5000112.8T35 G337 R340 N362T35-D364 HydrophobicContact CG2-CB 4.35Å; G337-D364 WeakPolarHBondContact CA-OD1 3.49Å; G337-D364 PolarHBondContact N-OD1 2.88Å; R340-D364 IonicContact CZ-OD2 3.78Å; R340-D364 IonicContact NE-OD2 3.92Å; R340-D364 PolarHBondContact NE-OD2 2.82Å; R340-D364 IonicContact NH2-OD2 2.73Å; R340-D364 PolarHBondContact NH2-OD2 2.81Å; N362-D364 PolarHBondContact O-N 2.96Å; N362-D364 VanDerWaalsContact O-N 3.16Å; N362-D364 PolarHBondContact OD1-N 3.15Å; N362-D364 VanDerWaalsContact OD1-N 3.15Å
365E97.4Very high96.2Very high27 Ų2734 Ų3413%0.12617%0.169CC..THydrogen-bonded Turntrans-120.1-20.6-175.6-63.1173.5-175.300112.9I26 R34 N362 V367 A368 Y369I26-E365 HydrophobicContact CG1-CB 4.2Å; I26-E365 HydrophobicContact CG1-CG 4.49Å; I26-E365 HydrophobicContact CG2-CG 4.23Å; R34-E365 WeakPolarHBondContact CD-OE1 3.39Å; R34-E365 IonicContact NH1-OE1 3.6Å; R34-E365 PolarHBondContact NH1-OE1 3.39Å; R34-E365 IonicContact NH1-OE2 2.92Å; N362-E365 HydrophobicContact CB-CB 4.14Å; N362-E365 HydrophobicContact CB-CG 4.34Å; N362-E365 WeakPolarHBondContact ND2-CG 3.35Å; N362-E365 PolarHBondContact ND2-OE1 3.08Å; N362-E365 PolarHBondContact ND2-OE2 2.85Å; N362-E365 PolarHBondContact O-N 3.45Å; N362-E365 VanDerWaalsContact O-N 3.15Å; E365-V367 VanDerWaalsContact C-N 3.27Å; E365-V367 PolarHBondContact O-N 2.86Å; E365-A368 PolarHBondContact O-N 2.97Å; E365-Y369 WeakPolarHBondContact O-CB 3.39Å; E365-Y369 PolarHBondContact O-N 3.37Å
366A97.1Very high96.1Very high3 Ų331.4 Ų31.43%0.02516%0.159CC..Hα-helixtrans-53.6-39.7-172.700000114.1A177 A180 I361 N362 Y369 G370A177-A366 HydrophobicContact CB-CB 4.16Å; A180-A366 HydrophobicContact CB-CB 4.3Å; A180-A366 VanDerWaalsContact CB-O 3.24Å; A180-A366 WeakPolarHBondContact CB-O 3.17Å; I361-A366 HydrophobicContact CD1-CB 3.59Å; I361-A366 HydrophobicContact CG1-CB 4.21Å; N362-A366 WeakPolarHBondContact O-CB 3.38Å; N362-A366 PolarHBondContact O-N 2.76Å; A366-Y369 WeakPolarHBondContact O-CB 3.33Å; A366-Y369 PolarHBondContact O-N 3.1Å; A366-G370 PolarHBondContact O-N 3.27Å
367V98.1Very high95.8Very high5 Ų525.5 Ų25.53%0.0313%0.133CC..Hα-helixtrans-66.6-51.1-179.9174.50000110.9D8 T143 E173 A176 A177 V335 E365 Y369 G370 A371D8-V367 HydrophobicContact CB-CB 4.13Å; D8-V367 HydrophobicContact CB-CG1 3.75Å; T143-V367 HydrophobicContact CG2-CG1 3.42Å; T143-V367 VanDerWaalsContact CG2-CG1 3.42Å; T143-V367 WeakPolarHBondContact OG1-CG1 3.46Å; E173-V367 HydrophobicContact CB-CG1 4.2Å; E173-V367 HydrophobicContact CB-CG2 4.27Å; E173-V367 HydrophobicContact CG-CG1 3.81Å; A176-V367 HydrophobicContact CB-CG1 4.45Å; A176-V367 WeakPolarHBondContact CB-O 3.22Å; A177-V367 HydrophobicContact CB-CG2 4.31Å; V335-V367 HydrophobicContact CG1-CG2 3.68Å; E365-V367 VanDerWaalsContact C-N 3.27Å; E365-V367 PolarHBondContact O-N 2.86Å; V367-Y369 PolarHBondContact O-N 2.84Å; V367-G370 PolarHBondContact O-N 3.07Å; V367-A371 WeakPolarHBondContact O-CB 3.3Å; V367-A371 PolarHBondContact O-N 2.97Å
368A98.4Very high95.6Very high0 Ų028.1 Ų28.10%015%0.146CC..Hα-helixtrans-62.6-34.8176.500000111.6D8 C15 I26 E365 A371 A372D8-A368 HydrophobicContact CB-CB 3.91Å; C15-A368 HydrophobicContact CB-CB 3.74Å; C15-A368 VanDerWaalsContact SG-CB 3.54Å; I26-A368 HydrophobicContact CD1-CB 4.2Å; E365-A368 PolarHBondContact O-N 2.97Å; A368-A371 PolarHBondContact O-N 3.25Å; A368-A372 WeakPolarHBondContact O-CB 3.46Å; A368-A372 PolarHBondContact O-N 3.21Å
369Y97.3Very high95.4Very high48 Ų4829.2 Ų29.219%0.18816%0.156CC..Hα-helixtrans-60-53.3175.7-170.9-68.8000111.2V24 A180 L183 E365 A366 V367 A371 A372 V373V24-Y369 HydrophobicContact CB-CD1 4.17Å; V24-Y369 HydrophobicContact CB-CD2 3.69Å; V24-Y369 HydrophobicContact CB-CE1 3.93Å; V24-Y369 HydrophobicContact CB-CE2 3.49Å; V24-Y369 VanDerWaalsContact CB-CE2 3.49Å; V24-Y369 HydrophobicContact CB-CG 4.03Å; V24-Y369 HydrophobicContact CG1-CD1 4.39Å; V24-Y369 HydrophobicContact CG1-CD2 3.67Å; V24-Y369 HydrophobicContact CG1-CE2 4.01Å; V24-Y369 HydrophobicContact CG1-CG 3.88Å; V24-Y369 HydrophobicContact CG2-CD1 3.82Å; V24-Y369 HydrophobicContact CG2-CD2 4.27Å; V24-Y369 HydrophobicContact CG2-CE1 3.53Å; V24-Y369 HydrophobicContact CG2-CE2 4.07Å; V24-Y369 HydrophobicContact CG2-CG 4.16Å; A180-Y369 HydrophobicContact CB-CD1 3.59Å; A180-Y369 HydrophobicContact CB-CE1 4.43Å; A180-Y369 HydrophobicContact CB-CG 3.99Å; L183-Y369 HydrophobicContact CD2-CE1 3.88Å; E365-Y369 WeakPolarHBondContact O-CB 3.39Å; E365-Y369 PolarHBondContact O-N 3.37Å; A366-Y369 WeakPolarHBondContact O-CB 3.33Å; A366-Y369 PolarHBondContact O-N 3.1Å; V367-Y369 PolarHBondContact O-N 2.84Å; Y369-A371 VanDerWaalsContact C-N 3.32Å; Y369-A371 PolarHBondContact O-N 3.39Å; Y369-A372 WeakPolarHBondContact O-CB 3.2Å; Y369-A372 PolarHBondContact O-N 3.35Å; Y369-A372 VanDerWaalsContact O-N 3.13Å; Y369-V373 HydrophobicContact CD1-CG2 4.15Å; Y369-V373 HydrophobicContact CE1-CG2 3.98Å; Y369-V373 PolarHBondContact O-N 3.15Å; Y369-V373 VanDerWaalsContact O-N 3.12Å
370G96.4Very high95.1Very high0 Ų024.9 Ų24.90%015%0.149CC..Hα-helixtrans-63.3-36.9177.900000113.5A176 A366 V367 A372 V373 Q374A176-G370 VanDerWaalsContact O-CA 3.26Å; A176-G370 WeakPolarHBondContact O-CA 3.5Å; A366-G370 PolarHBondContact O-N 3.27Å; V367-G370 PolarHBondContact O-N 3.07Å; G370-A372 VanDerWaalsContact C-N 3.29Å; G370-A372 PolarHBondContact O-N 3.44Å; G370-V373 PolarHBondContact O-N 3.42Å; G370-Q374 PolarHBondContact O-N 3.26Å
371A97.9Very high94.8Very high0 Ų024 Ų240%014%0.139CC..Hα-helixtrans-61.7-38.1173.500000111.8G6 V141 T143 V367 A368 Y369 Q374 A375G6-A371 VanDerWaalsContact CA-C 3.5Å; V141-A371 HydrophobicContact CG1-CB 4.29Å; T143-A371 HydrophobicContact CG2-CB 3.66Å; V367-A371 WeakPolarHBondContact O-CB 3.3Å; V367-A371 PolarHBondContact O-N 2.97Å; A368-A371 PolarHBondContact O-N 3.25Å; Y369-A371 VanDerWaalsContact C-N 3.32Å; Y369-A371 PolarHBondContact O-N 3.39Å; A371-Q374 PolarHBondContact O-N 3.12Å; A371-A375 WeakPolarHBondContact O-CB 3.45Å; A371-A375 PolarHBondContact O-N 3.48Å
372A96.9Very high94.2Very high0 Ų031 Ų310%017%0.168CC..Hα-helixtrans-68.6-38.3178.500000111.8V24 A368 Y369 G370 A375 A376V24-A372 HydrophobicContact CG1-CB 3.79Å; V24-A372 HydrophobicContact CG2-CB 4.26Å; A368-A372 WeakPolarHBondContact O-CB 3.46Å; A368-A372 PolarHBondContact O-N 3.21Å; Y369-A372 WeakPolarHBondContact O-CB 3.2Å; Y369-A372 PolarHBondContact O-N 3.35Å; Y369-A372 VanDerWaalsContact O-N 3.13Å; G370-A372 VanDerWaalsContact C-N 3.29Å; G370-A372 PolarHBondContact O-N 3.44Å; A372-A375 PolarHBondContact O-N 2.85Å; A372-A376 PolarHBondContact O-N 3.12Å
373V95Very high93.6Very high0 Ų029.8 Ų29.80%016%0.164CC..Hα-helixtrans-60.4-48.7170.9176.60000110.5V24 I179 L183 Y369 G370 A375 A376 I377 V386 L389V24-V373 HydrophobicContact CG2-CG2 3.54Å; I179-V373 HydrophobicContact CG2-CB 3.76Å; I179-V373 HydrophobicContact CG2-CG1 3.67Å; I179-V373 HydrophobicContact CG2-CG2 4.1Å; L183-V373 HydrophobicContact CD2-CG2 3.91Å; Y369-V373 HydrophobicContact CD1-CG2 4.15Å; Y369-V373 HydrophobicContact CE1-CG2 3.98Å; Y369-V373 PolarHBondContact O-N 3.15Å; Y369-V373 VanDerWaalsContact O-N 3.12Å; G370-V373 PolarHBondContact O-N 3.42Å; V373-A375 VanDerWaalsContact C-N 3.29Å; V373-A375 PolarHBondContact O-N 2.93Å; V373-A376 VanDerWaalsContact O-CB 3.31Å; V373-A376 WeakPolarHBondContact O-CB 3.36Å; V373-A376 PolarHBondContact O-N 2.77Å; V373-A376 VanDerWaalsContact O-N 3.12Å; V373-I377 HydrophobicContact CG1-CD1 4Å; V373-I377 WeakPolarHBondContact O-CG1 2.95Å; V373-I377 PolarHBondContact O-N 2.9Å; V373-V386 HydrophobicContact CG1-CB 4.45Å; V373-V386 HydrophobicContact CG1-CG1 3.82Å; V373-L389 HydrophobicContact CG1-CD1 4.14Å
374Q95.1Very high92.7Very high4 Ų437.5 Ų37.52%0.01920%0.199CC..Hα-helixtrans-62.2-37.8179.1-173.161.445.900112.2V141 I171 G370 A371 A376 I377 L378V141-Q374 HydrophobicContact CG1-CB 4.27Å; V141-Q374 HydrophobicContact CG1-CG 4.19Å; V141-Q374 HydrophobicContact CG2-CG 4.29Å; I171-Q374 HydrophobicContact CD1-CB 4.23Å; I171-Q374 HydrophobicContact CD1-CG 4.1Å; G370-Q374 PolarHBondContact O-N 3.26Å; A371-Q374 PolarHBondContact O-N 3.12Å; Q374-A376 VanDerWaalsContact C-N 3.33Å; Q374-I377 PolarHBondContact O-N 3.22Å; Q374-L378 HydrophobicContact CG-CD1 4.12Å; Q374-L378 VanDerWaalsContact O-CG 3.31Å; Q374-L378 WeakPolarHBondContact O-CG 3.16Å; Q374-L378 PolarHBondContact O-N 3.4Å
375A96Very high91.7Very high0 Ų037.4 Ų37.40%021%0.206CC..Hα-helixtrans-63.4-39.5175.100000111.6A4 V141 A371 A372 V373 S379A4-A375 HydrophobicContact CB-CB 3.81Å; V141-A375 HydrophobicContact CB-CB 4.13Å; V141-A375 HydrophobicContact CG2-CB 3.77Å; A371-A375 WeakPolarHBondContact O-CB 3.45Å; A371-A375 PolarHBondContact O-N 3.48Å; A372-A375 PolarHBondContact O-N 2.85Å; V373-A375 VanDerWaalsContact C-N 3.29Å; V373-A375 PolarHBondContact O-N 2.93Å; A375-S379 VanDerWaalsContact O-CB 3.32Å; A375-S379 WeakPolarHBondContact O-CB 3.29Å; A375-S379 PolarHBondContact O-N 3.3Å; A375-S379 PolarHBondContact O-OG 2.91Å
376A94Very high91Very high6 Ų636.2 Ų36.25%0.0520%0.201CC..Hα-helixtrans-62.7-48.1175.400000112.1F19 A372 V373 Q374 L378 S379 G380 D381F19-A376 HydrophobicContact CB-CB 3.48Å; F19-A376 VanDerWaalsContact CB-CB 3.48Å; F19-A376 HydrophobicContact CD1-CB 3.78Å; F19-A376 HydrophobicContact CD2-CB 4.34Å; F19-A376 HydrophobicContact CG-CB 3.62Å; A372-A376 PolarHBondContact O-N 3.12Å; V373-A376 VanDerWaalsContact O-CB 3.31Å; V373-A376 WeakPolarHBondContact O-CB 3.36Å; V373-A376 PolarHBondContact O-N 2.77Å; V373-A376 VanDerWaalsContact O-N 3.12Å; Q374-A376 VanDerWaalsContact C-N 3.33Å; A376-L378 VanDerWaalsContact C-N 3.34Å; A376-L378 PolarHBondContact O-N 3.14Å; A376-S379 CarbonylContact O-C 3.48Å; A376-S379 PolarHBondContact O-N 3.4Å; A376-S379 VanDerWaalsContact O-N 3.14Å; A376-G380 PolarHBondContact O-N 2.82Å; A376-D381 HydrophobicContact CB-CB 3.98Å; A376-D381 WeakPolarHBondContact O-CB 3.48Å; A376-D381 PolarHBondContact O-N 3.28Å
377I92.4Very high90.1Very high46 Ų4642.1 Ų42.124%0.23623%0.227CC..Hα-helixtrans-58.3-47.6178.3-66165.2000110.4V373 Q374 S379 G380 V386 L389V373-I377 HydrophobicContact CG1-CD1 4Å; V373-I377 WeakPolarHBondContact O-CG1 2.95Å; V373-I377 PolarHBondContact O-N 2.9Å; Q374-I377 PolarHBondContact O-N 3.22Å; I377-S379 VanDerWaalsContact C-N 3.26Å; I377-S379 PolarHBondContact O-N 3.11Å; I377-G380 PolarHBondContact O-N 3.33Å; I377-G380 VanDerWaalsContact O-N 3.09Å; I377-V386 HydrophobicContact CD1-CB 4.37Å; I377-V386 HydrophobicContact CG1-CB 3.93Å; I377-V386 HydrophobicContact CG1-CG2 4.27Å; I377-L389 HydrophobicContact CD1-CB 3.8Å; I377-L389 HydrophobicContact CD1-CD1 4.26Å; I377-L389 HydrophobicContact CD1-CD2 3.83Å; I377-L389 HydrophobicContact CD1-CG 4.15Å
378L92.5Very high89.3Confident63 Ų6347.8 Ų47.833%0.3326%0.258SS..Hα-helixtrans-70.4-22.8-179.6-66.8172.5000113.4V141 L168 R169 Q374 A376 G380V141-L378 HydrophobicContact CG2-CD1 3.88Å; L168-L378 HydrophobicContact CB-CD1 4.06Å; L168-L378 HydrophobicContact CD1-CB 4.06Å; R169-L378 HydrophobicContact CB-CD1 3.5Å; R169-L378 HydrophobicContact CG-CD1 4.41Å; Q374-L378 HydrophobicContact CG-CD1 4.12Å; Q374-L378 VanDerWaalsContact O-CG 3.31Å; Q374-L378 WeakPolarHBondContact O-CG 3.16Å; Q374-L378 PolarHBondContact O-N 3.4Å; A376-L378 VanDerWaalsContact C-N 3.34Å; A376-L378 PolarHBondContact O-N 3.14Å; L378-G380 VanDerWaalsContact C-N 3.27Å
379S91.4Very high88.8Confident46 Ų4648.9 Ų48.932%0.32226%0.264SS..THydrogen-bonded Turntrans-84.5-1.6173.4-56.40000113.2A4 A375 A376 I377A4-S379 WeakPolarHBondContact CB-OG 3.23Å; A375-S379 VanDerWaalsContact O-CB 3.32Å; A375-S379 WeakPolarHBondContact O-CB 3.29Å; A375-S379 PolarHBondContact O-N 3.3Å; A375-S379 PolarHBondContact O-OG 2.91Å; A376-S379 CarbonylContact O-C 3.48Å; A376-S379 PolarHBondContact O-N 3.4Å; A376-S379 VanDerWaalsContact O-N 3.14Å; I377-S379 VanDerWaalsContact C-N 3.26Å; I377-S379 PolarHBondContact O-N 3.11Å
380G87Confident88.5Confident42 Ų4250.9 Ų50.943%0.43328%0.277SS..THydrogen-bonded Turntrans77.329.7179.100000114.3A376 I377 L378A376-G380 PolarHBondContact O-N 2.82Å; I377-G380 PolarHBondContact O-N 3.33Å; I377-G380 VanDerWaalsContact O-N 3.09Å; L378-G380 VanDerWaalsContact C-N 3.27Å
381D84.7Confident88.3Confident51 Ų5152.1 Ų52.127%0.27328%0.283SS..  trans-58.2138.4168.6-159.9-59.8000109.9A376 C383 V386A376-D381 HydrophobicContact CB-CB 3.98Å; A376-D381 WeakPolarHBondContact O-CB 3.48Å; A376-D381 PolarHBondContact O-N 3.28Å; D381-C383 VanDerWaalsContact OD1-CB 3.23Å; D381-C383 WeakPolarHBondContact OD1-CB 3.46Å; D381-C383 PolarHBondContact OD1-N 2.97Å; D381-V386 HydrophobicContact CB-CG2 4.49Å
382K81.1Confident88Confident177 Ų17754.6 Ų54.677%0.7730%0.296SS*.  trans-110.414.7-174.4-60-173.3179.6-177.80112.5E384K382-E384 PolarHBondContact O-N 3.32Å
383C82.7Confident87.9Confident36 Ų3655.3 Ų55.324%0.24330%0.3CS..  trans-61.5130.8174.3-174.50000109.9F19 G22 D381 A385 V386 Q387F19-C383 HydrophobicContact CE1-CB 3.91Å; F19-C383 HydrophobicContact CZ-CB 4.06Å; G22-C383 VanDerWaalsContact CA-SG 3.58Å; D381-C383 VanDerWaalsContact OD1-CB 3.23Å; D381-C383 WeakPolarHBondContact OD1-CB 3.46Å; D381-C383 PolarHBondContact OD1-N 2.97Å; C383-A385 PolarHBondContact O-N 3.33Å; C383-V386 HydrophobicContact CB-CG2 4.26Å; C383-V386 PolarHBondContact O-N 3.41Å; C383-Q387 PolarHBondContact O-N 3.39Å
384E79.9Confident87.7Confident177 Ų17755.4 Ų55.483%0.82730%0.301SS*.THydrogen-bonded Turntrans-53-27.7176.8-68-177171.400112.5K382 V386K382-E384 PolarHBondContact O-N 3.32Å; E384-V386 VanDerWaalsContact C-N 3.26Å; E384-V386 PolarHBondContact O-N 3.49Å
385A75Confident87.5Confident55 Ų5555.4 Ų55.446%0.45530%0.302SS..THydrogen-bonded Turntrans-65.1-25.4179.500000114L183 C383L183-A385 WeakPolarHBondContact CD1-O 3.31Å; C383-A385 PolarHBondContact O-N 3.33Å
386V82.7Confident87Confident2 Ų256.4 Ų56.41%0.01231%0.308CS..THydrogen-bonded Turntrans-122.9-12.1-172.5-57.60000113.8F19 L183 V373 I377 D381 C383 E384 D388 L389F19-V386 HydrophobicContact CD2-CG1 4.44Å; F19-V386 HydrophobicContact CE2-CG1 3.67Å; F19-V386 HydrophobicContact CZ-CG1 3.72Å; F19-V386 HydrophobicContact CZ-CG2 4.44Å; L183-V386 HydrophobicContact CD1-CG1 4.1Å; V373-V386 HydrophobicContact CG1-CB 4.45Å; V373-V386 HydrophobicContact CG1-CG1 3.82Å; I377-V386 HydrophobicContact CD1-CB 4.37Å; I377-V386 HydrophobicContact CG1-CB 3.93Å; I377-V386 HydrophobicContact CG1-CG2 4.27Å; D381-V386 HydrophobicContact CB-CG2 4.49Å; C383-V386 HydrophobicContact CB-CG2 4.26Å; C383-V386 PolarHBondContact O-N 3.41Å; E384-V386 VanDerWaalsContact C-N 3.26Å; E384-V386 PolarHBondContact O-N 3.49Å; V386-D388 VanDerWaalsContact C-N 3.33Å; V386-D388 PolarHBondContact O-N 2.67Å; V386-L389 WeakPolarHBondContact O-CB 3.31Å; V386-L389 PolarHBondContact O-N 3.47Å
387Q78.2Confident86.7Confident126 Ų12657.6 Ų57.659%0.58931%0.313SS*.THydrogen-bonded Turntrans-62.9-36.2-171.2-176.2174.9-12.100113.6C383C383-Q387 PolarHBondContact O-N 3.39Å
388D81Confident86.6Confident125 Ų12555.7 Ų55.767%0.66830%0.304SS*.THydrogen-bonded Turntrans-95.18.2-176-61.6-36.3000113.1V386 L390V386-D388 VanDerWaalsContact C-N 3.33Å; V386-D388 PolarHBondContact O-N 2.67Å; D388-L390 PolarHBondContact O-N 2.99Å
389L88.4Confident86.6Confident23 Ų2353.4 Ų53.412%0.1229%0.292CS..  trans-76.6115.5-178-166.9154.4000111.1I179 G213 F215 V373 I377 V386 L391I179-L389 HydrophobicContact CD1-CD2 4.37Å; I179-L389 HydrophobicContact CG1-CD1 4.38Å; I179-L389 HydrophobicContact CG1-CD2 4.47Å; I179-L389 HydrophobicContact CG2-CD1 3.82Å; G213-L389 WeakPolarHBondContact O-CA 3.4Å; F215-L389 HydrophobicContact CD2-CD1 4.19Å; F215-L389 HydrophobicContact CD2-CD2 4.16Å; F215-L389 HydrophobicContact CD2-CG 3.84Å; F215-L389 HydrophobicContact CE2-CD1 3.67Å; F215-L389 HydrophobicContact CE2-CD2 4.45Å; F215-L389 HydrophobicContact CE2-CG 3.69Å; F215-L389 HydrophobicContact CZ-CD1 4.3Å; V373-L389 HydrophobicContact CG1-CD1 4.14Å; I377-L389 HydrophobicContact CD1-CB 3.8Å; I377-L389 HydrophobicContact CD1-CD1 4.26Å; I377-L389 HydrophobicContact CD1-CD2 3.83Å; I377-L389 HydrophobicContact CD1-CG 4.15Å; V386-L389 WeakPolarHBondContact O-CB 3.31Å; V386-L389 PolarHBondContact O-N 3.47Å; L389-L391 HydrophobicContact CD2-CB 4.5Å
390L90.3Very high86.7Confident89 Ų8951.2 Ų51.247%0.46628%0.277SS..EExtended strand (participates in β ladder)trans-111.9129.4172.6-18065.2000110.2G213 I214 F215 D388 L392G213-L390 PolarHBondContact O-N 3.34Å; I214-L390 WeakPolarHBondContact CA-O 3.5Å; I214-L390 HydrophobicContact CG1-CB 4.34Å; I214-L390 HydrophobicContact CG1-CD2 4.47Å; I214-L390 HydrophobicContact CG2-CD2 4.44Å; F215-L390 PolarHBondContact N-O 2.91Å; D388-L390 PolarHBondContact O-N 2.99Å; L390-L392 HydrophobicContact CD2-CD2 4.41Å; L390-L392 HydrophobicContact CD2-CG 4.45Å; L390-L392 HydrophobicContact CG-CD2 4.42Å; L390-L392 HydrophobicContact CG-CG 4.4Å
391L91.6Very high87.1Confident27 Ų2749.5 Ų49.514%0.14126%0.258CS..EExtended strand (participates in β ladder)trans-110.3124.9177.2179.766.3000111.7I171 T175 I179 F215 L389I171-L391 HydrophobicContact CD1-CD2 3.69Å; I171-L391 HydrophobicContact CG1-CD2 4.14Å; T175-L391 HydrophobicContact CG2-CD1 3.05Å; T175-L391 HydrophobicContact CG2-CD2 3.53Å; T175-L391 HydrophobicContact CG2-CG 3.81Å; I179-L391 HydrophobicContact CD1-CD2 4.46Å; F215-L391 HydrophobicContact CB-CD1 3.9Å; L389-L391 HydrophobicContact CD2-CB 4.5Å
392L93Very high87.5Confident52 Ų5250.2 Ų50.227%0.27226%0.26SS..EExtended strand (participates in β ladder)trans-119.397.9175.1-59.8176.4000109.1I214 F215 E216 V217 L390 T417I214-L392 HydrophobicContact CG2-CD1 4.17Å; F215-L392 PolarHBondContact O-N 3.13Å; E216-L392 HydrophobicContact CB-CB 4.34Å; E216-L392 HydrophobicContact CB-CD1 4.42Å; E216-L392 HydrophobicContact CG-CB 4.04Å; E216-L392 HydrophobicContact CG-CD1 4.13Å; V217-L392 PolarHBondContact N-O 3.29Å; L390-L392 HydrophobicContact CD2-CD2 4.41Å; L390-L392 HydrophobicContact CD2-CG 4.45Å; L390-L392 HydrophobicContact CG-CD2 4.42Å; L390-L392 HydrophobicContact CG-CG 4.4Å; L392-T417 HydrophobicContact CB-CG2 4.06Å; L392-T417 HydrophobicContact CD2-CG2 4.35Å
393D93.6Very high87.8Confident15 Ų1543.6 Ų43.68%0.0823%0.234CC..EExtended strand (participates in β ladder)trans-91173.9177.9-144.7-41.2000111.2N172 T175 T417 I418N172-D393 WeakPolarHBondContact CB-OD2 3.45Å; N172-D393 PolarHBondContact ND2-OD1 3.21Å; N172-D393 PolarHBondContact ND2-OD2 3.24Å; T175-D393 PolarHBondContact OG1-OD2 3.43Å; D393-T417 CarbonylContact O-C 3.55Å; D393-T417 VanDerWaalsContact O-CA 3.24Å; D393-T417 WeakPolarHBondContact O-CA 3.45Å; D393-I418 HydrophobicContact CB-CD1 4.38Å; D393-I418 HydrophobicContact CB-CG1 4.08Å; D393-I418 PolarHBondContact O-N 3.48Å
394V92.1Very high87.8Confident1 Ų144.8 Ų44.81%0.00625%0.246CC..EExtended strand (participates in β ladder)trans-133.8158.5-177.6-60.60000113.6V217 T220 N415 T416V217-V394 HydrophobicContact CB-CG1 4.22Å; V217-V394 HydrophobicContact CB-CG2 4.17Å; V217-V394 HydrophobicContact CG1-CG1 4.49Å; V217-V394 HydrophobicContact CG1-CG2 3.64Å; V217-V394 WeakPolarHBondContact O-CG1 3.48Å; T220-V394 HydrophobicContact CG2-CG2 4.16Å; V394-N415 WeakPolarHBondContact CG1-O 3.26Å; V394-N415 HydrophobicContact CG2-CB 4.45Å; V394-T416 CarbonylContact C-O 3.53Å; V394-T416 VanDerWaalsContact CA-O 3.27Å; V394-T416 WeakPolarHBondContact CA-O 3.41Å
395A89.5Confident87.9Confident5 Ų539.8 Ų39.84%0.04124%0.242CC..  trans-72.5125.5171.500000111.3L397 I412 R414 N415 T416 I418 I478A395-L397 PolarHBondContact O-N 2.98Å; A395-I412 HydrophobicContact CB-CG2 4.39Å; A395-R414 CarbonylContact O-C 3.55Å; A395-N415 WeakPolarHBondContact O-CA 3.38Å; A395-N415 PolarHBondContact O-N 2.99Å; A395-T416 PolarHBondContact N-O 3.01Å; A395-I418 HydrophobicContact CB-CG2 4.26Å; A395-I478 HydrophobicContact CB-CD1 4.09Å
396P85.9Confident88.3Confident20 Ų2038 Ų3813%0.1323%0.23CC..SBendtrans-70.1-29.7-174.827.6-36.9000114.2A146 Y147 T220A146-P396 WeakPolarHBondContact O-CG 3.49Å; Y147-P396 HydrophobicContact CD2-CB 3.87Å; Y147-P396 HydrophobicContact CE2-CB 3.8Å; Y147-P396 HydrophobicContact CG-CB 4.45Å; Y147-P396 PolarHBondContact OH-O 2.94Å; T220-P396 HydrophobicContact CG2-CB 3.68Å
397L88.2Confident88.5Confident31 Ų3140.9 Ų40.916%0.16225%0.247CC..SBendtrans-133.4156.7-178.8-67174.5000110.3Y147 A395 E442 E444Y147-L397 HydrophobicContact CE1-CD1 4.37Å; Y147-L397 HydrophobicContact CE1-CD2 3.98Å; Y147-L397 HydrophobicContact CE1-CG 4.17Å; A395-L397 PolarHBondContact O-N 2.98Å; L397-E442 HydrophobicContact CD1-CG 4.45Å; L397-E444 HydrophobicContact CD2-CG 4.39Å
398S89.9Confident89Confident7 Ų736 Ų365%0.04922%0.224CC..  trans-69.1135.6173.8-61.70000110I412 R414 E442 G443 E444S398-I412 CarbonylContact C-O 3.6Å; S398-I412 VanDerWaalsContact CA-O 3.25Å; S398-I412 WeakPolarHBondContact CA-O 3.3Å; S398-R414 PolarHBondContact OG-N 2.95Å; S398-E442 WeakPolarHBondContact O-CA 3.39Å; S398-G443 PolarHBondContact O-N 3.14Å; S398-E444 VanDerWaalsContact CB-OE1 3.25Å; S398-E444 WeakPolarHBondContact CB-OE1 3.21Å; S398-E444 PolarHBondContact N-OE1 3.47Å; S398-E444 VanDerWaalsContact OG-CD 3.28Å; S398-E444 PolarHBondContact OG-OE1 3.35Å; S398-E444 PolarHBondContact OG-OE2 2.86Å
399L92.7Very high89.6Confident15 Ų1531.6 Ų31.68%0.07920%0.202CC..EExtended strand (participates in β ladder)trans-111.8133.9177.6-55.6175.5000109.4L411 I412 E442 L454 F476 I478 L484L399-L411 PolarHBondContact O-N 3.44Å; L399-I412 HydrophobicContact CB-CB 4.37Å; L399-I412 PolarHBondContact N-O 3.24Å; L399-I412 PolarHBondContact O-N 2.79Å; L399-I412 VanDerWaalsContact O-N 3.14Å; L399-E442 HydrophobicContact CD2-CB 3.67Å; L399-L454 HydrophobicContact CD2-CD1 3.88Å; L399-F476 HydrophobicContact CB-CD1 3.88Å; L399-F476 HydrophobicContact CB-CE1 3.99Å; L399-I478 HydrophobicContact CD1-CD1 3.38Å; L399-I478 HydrophobicContact CD1-CG1 3.88Å; L399-L484 HydrophobicContact CD1-CD1 3.88Å; L399-L484 HydrophobicContact CD1-CD2 4.04Å; L399-L484 HydrophobicContact CD1-CG 4.35Å; L399-L484 HydrophobicContact CD2-CD2 4.46Å
400G93.3Very high89.8Confident0 Ų032.3 Ų32.30%021%0.211CC..EExtended strand (participates in β ladder)trans-164.3-174.4-172.800000113.2M408 T409 V440 F441 F476G400-M408 VanDerWaalsContact CA-CE 3.43Å; G400-M408 VanDerWaalsContact N-CE 3.3Å; G400-T409 CarbonylContact C-O 3.5Å; G400-T409 WeakPolarHBondContact CA-O 3.25Å; G400-V440 WeakPolarHBondContact O-CA 3.39Å; G400-F441 PolarHBondContact N-O 3.03Å; G400-F441 PolarHBondContact O-N 3.36Å; G400-F476 WeakPolarHBondContact O-CZ 3.5Å
401L94.8Very high90.1Very high5 Ų529 Ų293%0.02619%0.194CC..EExtended strand (participates in β ladder)trans-129.5159.8-178.664.384.5000112.4T403 T409 L411 F426 Q439 V474 F476L401-T403 HydrophobicContact CD1-CG2 3.68Å; L401-T409 PolarHBondContact N-O 2.77Å; L401-T409 PolarHBondContact O-N 3.37Å; L401-L411 HydrophobicContact CD2-CD1 4.15Å; L401-L411 HydrophobicContact CG-CD1 4.18Å; L401-F426 HydrophobicContact CD1-CD1 4.28Å; L401-F426 HydrophobicContact CD1-CE1 3.88Å; L401-F426 HydrophobicContact CD1-CE2 4.44Å; L401-F426 HydrophobicContact CD1-CZ 3.97Å; L401-F426 HydrophobicContact CD2-CD2 4.18Å; L401-F426 HydrophobicContact CD2-CE2 3.64Å; L401-F426 HydrophobicContact CD2-CZ 3.83Å; L401-F426 HydrophobicContact CG-CE1 4.49Å; L401-F426 HydrophobicContact CG-CE2 4.4Å; L401-F426 HydrophobicContact CG-CZ 4.09Å; L401-Q439 CarbonylContact C-O 3.52Å; L401-Q439 WeakPolarHBondContact CA-O 3.31Å; L401-Q439 WeakPolarHBondContact CB-O 3.45Å; L401-V474 HydrophobicContact CD2-CB 3.99Å; L401-V474 HydrophobicContact CD2-CG1 3.66Å; L401-V474 HydrophobicContact CD2-CG2 4.06Å; L401-F476 HydrophobicContact CB-CZ 4.27Å; L401-F476 HydrophobicContact CD2-CE2 4.13Å
402E92.7Very high90.2Very high67 Ų6727.8 Ų27.831%0.31319%0.188SC..EExtended strand (participates in β ladder)trans-73.9128.2172.9-170170.398.800111.8Q439 F441 T448E402-Q439 HydrophobicContact CB-CB 4.23Å; E402-Q439 PolarHBondContact N-O 3.26Å; E402-Q439 PolarHBondContact OE1-NE2 2.79Å; E402-F441 HydrophobicContact CB-CD2 4.47Å; E402-F441 HydrophobicContact CB-CE2 3.78Å; E402-T448 HydrophobicContact CB-CG2 3.78Å; E402-T448 HydrophobicContact CG-CG2 3.89Å; E402-T448 WeakPolarHBondContact OE2-CB 3.44Å; E402-T448 PolarHBondContact OE2-OG1 3.06Å
403T89.1Confident90.3Very high38 Ų3832.2 Ų32.223%0.23321%0.205CC..EExtended strand (participates in β ladder)trans-112.5179.917057.80000110.8L401 G405 G406 V407 T409 F426L401-T403 HydrophobicContact CD1-CG2 3.68Å; T403-G405 PolarHBondContact O-N 3.34Å; T403-G406 PolarHBondContact O-N 2.91Å; T403-G406 VanDerWaalsContact O-N 3.11Å; T403-V407 PolarHBondContact N-O 2.78Å; T403-V407 PolarHBondContact O-N 3.23Å; T403-V407 PolarHBondContact OG1-O 2.85Å; T403-T409 WeakPolarHBondContact CG2-OG1 3.32Å; T403-T409 PolarHBondContact OG1-OG1 3.44Å; T403-F426 HydrophobicContact CG2-CD1 4.14Å; T403-F426 HydrophobicContact CG2-CE1 3.82Å
404A82.5Confident90.2Very high60 Ų6033.3 Ų33.350%0.49621%0.208SC..THydrogen-bonded Turntrans-48.1134.9-178.100000112.7Y429A404-Y429 HydrophobicContact CB-CD2 3.66Å; A404-Y429 HydrophobicContact CB-CE2 3.53Å
405G80.8Confident90.1Very high72 Ų7234.7 Ų34.774%0.74222%0.215SC*.THydrogen-bonded Turntrans79.710.7-178.500000115.3T403T403-G405 PolarHBondContact O-N 3.34Å
406G83.9Confident90.4Very high19 Ų1936.3 Ų36.320%0.19623%0.225CC..THydrogen-bonded Turntrans7625.3-18000000113T403 L447 T448T403-G406 PolarHBondContact O-N 2.91Å; T403-G406 VanDerWaalsContact O-N 3.11Å; G406-L447 CarbonylContact O-C 3.53Å; G406-L447 VanDerWaalsContact O-CA 3.31Å; G406-L447 WeakPolarHBondContact O-CA 3.46Å; G406-T448 PolarHBondContact O-N 2.74Å; G406-T448 PolarHBondContact O-OG1 3.11Å; G406-T448 VanDerWaalsContact O-OG1 3.09Å
407V86.6Confident90.9Very high62 Ų6238 Ų3838%0.37623%0.234SC..EExtended strand (participates in β ladder)trans-86.4131.4-177.6177.40000109.9T403 T409 L447T403-V407 PolarHBondContact N-O 2.78Å; T403-V407 PolarHBondContact O-N 3.23Å; T403-V407 PolarHBondContact OG1-O 2.85Å; V407-T409 PolarHBondContact O-N 3.22Å; V407-L447 HydrophobicContact CG2-CD2 4.27Å
408M89.5Confident91.1Very high22 Ų2237.2 Ų37.211%0.10823%0.23CC..EExtended strand (participates in β ladder)trans-74.8118.5174178.758.9169.900110.2G400 F441 R445 A446 T448 N451G400-M408 VanDerWaalsContact CA-CE 3.43Å; G400-M408 VanDerWaalsContact N-CE 3.3Å; M408-F441 HydrophobicContact CE-CB 3.9Å; M408-F441 WeakPolarHBondContact CE-O 3.47Å; M408-F441 HydrophobicContact SD-CB 3.78Å; M408-F441 HydrophobicContact SD-CG 4.49Å; M408-R445 WeakPolarHBondContact CB-O 3.41Å; M408-A446 PolarHBondContact N-O 3.16Å; M408-T448 HydrophobicContact CB-CG2 4.03Å; M408-T448 HydrophobicContact SD-CG2 4.27Å; M408-N451 WeakPolarHBondContact CG-ND2 3.46Å
409T93.9Very high91.4Very high34 Ų3441.2 Ų41.221%0.20926%0.256CS..EExtended strand (participates in β ladder)trans-108.2107.1171-64.20000109.5G400 L401 T403 V407 L411 F426G400-T409 CarbonylContact C-O 3.5Å; G400-T409 WeakPolarHBondContact CA-O 3.25Å; L401-T409 PolarHBondContact N-O 2.77Å; L401-T409 PolarHBondContact O-N 3.37Å; T403-T409 WeakPolarHBondContact CG2-OG1 3.32Å; T403-T409 PolarHBondContact OG1-OG1 3.44Å; V407-T409 PolarHBondContact O-N 3.22Å; T409-L411 HydrophobicContact CG2-CD1 4.47Å; T409-L411 WeakPolarHBondContact O-CD1 3.49Å; T409-F426 HydrophobicContact CG2-CE1 4.12Å; T409-F426 HydrophobicContact CG2-CZ 4.15Å
410A91.4Very high91.5Very high38 Ų3841.8 Ų41.831%0.31426%0.26SS..EExtended strand (participates in β ladder)trans-77127178.200000111.5
411L96.4Very high91.7Very high20 Ų2048 Ų4811%0.10529%0.287CS..EExtended strand (participates in β ladder)trans-97.7-41172.9-78.575.9000110.8L399 L401 T409 Q422 Q424 F426 F476L399-L411 PolarHBondContact O-N 3.44Å; L401-L411 HydrophobicContact CD2-CD1 4.15Å; L401-L411 HydrophobicContact CG-CD1 4.18Å; T409-L411 HydrophobicContact CG2-CD1 4.47Å; T409-L411 WeakPolarHBondContact O-CD1 3.49Å; L411-Q422 HydrophobicContact CB-CB 4.39Å; L411-Q424 HydrophobicContact CD2-CB 3.93Å; L411-Q424 HydrophobicContact CG-CB 4.21Å; L411-F426 HydrophobicContact CD1-CE2 4.4Å; L411-F426 HydrophobicContact CD1-CZ 4.03Å; L411-F426 HydrophobicContact CD2-CE2 4.42Å; L411-F476 HydrophobicContact CB-CD2 4.37Å; L411-F476 HydrophobicContact CB-CG 4.29Å; L411-F476 HydrophobicContact CD1-CE2 4.3Å; L411-F476 HydrophobicContact CD2-CD2 3.61Å; L411-F476 HydrophobicContact CD2-CE2 3.99Å; L411-F476 HydrophobicContact CD2-CG 4.28Å; L411-F476 HydrophobicContact CG-CD2 4.41Å
412I94.9Very high91.8Very high1 Ų151.6 Ų51.61%0.00530%0.304CS..EExtended strand (participates in β ladder)trans-111.5118.1172.5-60.4171.9000106.7A395 S398 L399 T416 T420 Q422 F476 I478A395-I412 HydrophobicContact CB-CG2 4.39Å; S398-I412 CarbonylContact C-O 3.6Å; S398-I412 VanDerWaalsContact CA-O 3.25Å; S398-I412 WeakPolarHBondContact CA-O 3.3Å; L399-I412 HydrophobicContact CB-CB 4.37Å; L399-I412 PolarHBondContact N-O 3.24Å; L399-I412 PolarHBondContact O-N 2.79Å; L399-I412 VanDerWaalsContact O-N 3.14Å; I412-T416 HydrophobicContact CG2-CG2 4.14Å; I412-T420 HydrophobicContact CD1-CG2 3.88Å; I412-T420 HydrophobicContact CG1-CG2 4.31Å; I412-T420 HydrophobicContact CG2-CG2 4.1Å; I412-Q422 HydrophobicContact CD1-CG 4.49Å; I412-Q422 HydrophobicContact CG1-CB 3.89Å; I412-Q422 HydrophobicContact CG1-CG 3.63Å; I412-F476 HydrophobicContact CD1-CB 3.66Å; I412-F476 HydrophobicContact CG1-CB 4.16Å; I412-I478 HydrophobicContact CB-CD1 4.45Å; I412-I478 HydrophobicContact CD1-CD1 3.54Å; I412-I478 HydrophobicContact CD1-CG1 3.61Å; I412-I478 HydrophobicContact CG2-CD1 3.89Å
413K93.8Very high92Very high145 Ų14551.6 Ų51.663%0.6331%0.308SS*.  trans-81152.8178.4-65-179.6-178.2176.60109.8T416K413-T416 PolarHBondContact N-OG1 3.15Å; K413-T416 VanDerWaalsContact O-CB 3.25Å; K413-T416 WeakPolarHBondContact O-CB 3.09Å; K413-T416 PolarHBondContact O-N 3.07Å; K413-T416 VanDerWaalsContact O-N 3.15Å; K413-T416 PolarHBondContact O-OG1 3.39Å
414R91.4Very high92.4Very high38 Ų3853.6 Ų53.614%0.14332%0.315CS..THydrogen-bonded Turntrans-51148.8168.365.5178.8-58.7-138.7-8111.6T220 K317 D321 A395 S398 T416 E444T220-R414 PolarHBondContact O-NH2 3.34Å; K317-R414 VanDerWaalsContact CE-CZ 3.47Å; K317-R414 VanDerWaalsContact CE-NH2 3.32Å; D321-R414 VanDerWaalsContact CG-CZ 3.48Å; D321-R414 IonicContact OD1-CZ 3.96Å; D321-R414 IonicContact OD1-NH1 3.6Å; D321-R414 PolarHBondContact OD1-NH1 2.73Å; D321-R414 IonicContact OD1-NH2 2.89Å; D321-R414 IonicContact OD2-CZ 3.39Å; D321-R414 IonicContact OD2-NH1 2.72Å; D321-R414 PolarHBondContact OD2-NH1 2.64Å; D321-R414 IonicContact OD2-NH2 3.75Å; D321-R414 PolarHBondContact OD2-NH2 3.28Å; A395-R414 CarbonylContact O-C 3.55Å; S398-R414 PolarHBondContact OG-N 2.95Å; R414-T416 PolarHBondContact O-N 2.96Å; R414-E444 VanDerWaalsContact CD-CD 3.49Å
415N91.9Very high93Very high30 Ų3053.7 Ų53.716%0.1631%0.31CS..THydrogen-bonded Turntrans6115-173.7-48.2-52.5000114.9S219 T220 D321 V394 A395 T417S219-N415 WeakPolarHBondContact CA-OD1 3.44Å; T220-N415 PolarHBondContact N-OD1 3.29Å; T220-N415 VanDerWaalsContact N-OD1 3.14Å; D321-N415 WeakPolarHBondContact CB-ND2 3.23Å; V394-N415 WeakPolarHBondContact CG1-O 3.26Å; V394-N415 HydrophobicContact CG2-CB 4.45Å; A395-N415 WeakPolarHBondContact O-CA 3.38Å; A395-N415 PolarHBondContact O-N 2.99Å; N415-T417 PolarHBondContact O-N 3.17Å
416T95.3Very high93.6Very high39 Ų3951.9 Ų51.924%0.23928%0.282CS..  trans-69.5130.2168-57.90000109V394 A395 I412 K413 R414 T420V394-T416 CarbonylContact C-O 3.53Å; V394-T416 VanDerWaalsContact CA-O 3.27Å; V394-T416 WeakPolarHBondContact CA-O 3.41Å; A395-T416 PolarHBondContact N-O 3.01Å; I412-T416 HydrophobicContact CG2-CG2 4.14Å; K413-T416 PolarHBondContact N-OG1 3.15Å; K413-T416 VanDerWaalsContact O-CB 3.25Å; K413-T416 WeakPolarHBondContact O-CB 3.09Å; K413-T416 PolarHBondContact O-N 3.07Å; K413-T416 VanDerWaalsContact O-N 3.15Å; K413-T416 PolarHBondContact O-OG1 3.39Å; R414-T416 PolarHBondContact O-N 2.96Å; T416-T420 HydrophobicContact CG2-CG2 3.97Å
417T96.1Very high93.9Very high55 Ų5554.6 Ų54.634%0.33729%0.294SS..EExtended strand (participates in β ladder)trans-56.4138.1176-49.40000111.6L392 D393 N415 T420L392-T417 HydrophobicContact CB-CG2 4.06Å; L392-T417 HydrophobicContact CD2-CG2 4.35Å; D393-T417 CarbonylContact O-C 3.55Å; D393-T417 VanDerWaalsContact O-CA 3.24Å; D393-T417 WeakPolarHBondContact O-CA 3.45Å; N415-T417 PolarHBondContact O-N 3.17Å; T417-T420 VanDerWaalsContact O-CB 3.29Å; T417-T420 WeakPolarHBondContact O-CB 3.43Å
418I92.9Very high94Very high15 Ų1551.8 Ų51.88%0.07728%0.277CS..EExtended strand (participates in β ladder)trans-116.7149.3177.562.5168.6000110.9D393 A395 T420 I478D393-I418 HydrophobicContact CB-CD1 4.38Å; D393-I418 HydrophobicContact CB-CG1 4.08Å; D393-I418 PolarHBondContact O-N 3.48Å; A395-I418 HydrophobicContact CB-CG2 4.26Å; I418-T420 HydrophobicContact CG2-CG2 4.29Å; I418-I478 HydrophobicContact CB-CG2 4.22Å; I418-I478 HydrophobicContact CD1-CG2 4.41Å; I418-I478 HydrophobicContact CG2-CB 4.11Å; I418-I478 HydrophobicContact CG2-CD1 4.08Å; I418-I478 HydrophobicContact CG2-CG2 3.77Å
419P94.9Very high93.9Very high91 Ų9158.2 Ų58.259%0.59130%0.302SS*.SBendcis-68.6149.50.729.7-36000113.2I478P419-I478 CarbonylContact C-O 3.42Å; P419-I478 WeakPolarHBondContact CA-O 3.35Å; P419-I478 VanDerWaalsContact CB-O 3.28Å; P419-I478 WeakPolarHBondContact CB-O 3.39Å
420T96.5Very high93.6Very high26 Ų2659.5 Ų59.516%0.1631%0.312CS..EExtended strand (participates in β ladder)trans-152150.4179.9-164.40000112.3I412 T416 T417 I418 I478I412-T420 HydrophobicContact CD1-CG2 3.88Å; I412-T420 HydrophobicContact CG1-CG2 4.31Å; I412-T420 HydrophobicContact CG2-CG2 4.1Å; T416-T420 HydrophobicContact CG2-CG2 3.97Å; T417-T420 VanDerWaalsContact O-CB 3.29Å; T417-T420 WeakPolarHBondContact O-CB 3.43Å; I418-T420 HydrophobicContact CG2-CG2 4.29Å; T420-I478 HydrophobicContact CG2-CB 4.48Å; T420-I478 HydrophobicContact CG2-CD1 4.29Å; T420-I478 PolarHBondContact N-O 3.42Å; T420-I478 PolarHBondContact O-N 2.87Å
421K97.1Very high93.6Very high130 Ų13062.2 Ų62.257%0.56532%0.321SS*.EExtended strand (participates in β ladder)trans-131.3124.2179.5-173.5175-176.2174.30110T475 F476 D477K421-T475 HydrophobicContact CD-CG2 4.19Å; K421-T475 HydrophobicContact CG-CG2 3.78Å; K421-F476 CarbonylContact C-O 3.58Å; K421-F476 WeakPolarHBondContact CA-O 3.38Å; K421-D477 HydrophobicContact CG-CB 4.24Å
422Q97.4Very high93.4Very high81 Ų8165.8 Ų65.838%0.37934%0.34SS..EExtended strand (participates in β ladder)trans-125.8133.2178.9-65-62.4-21.100110.1L411 I412 T475 F476L411-Q422 HydrophobicContact CB-CB 4.39Å; I412-Q422 HydrophobicContact CD1-CG 4.49Å; I412-Q422 HydrophobicContact CG1-CB 3.89Å; I412-Q422 HydrophobicContact CG1-CG 3.63Å; Q422-T475 CarbonylContact O-C 3.53Å; Q422-T475 WeakPolarHBondContact O-CA 3.23Å; Q422-F476 PolarHBondContact N-O 3.22Å; Q422-F476 PolarHBondContact O-N 3.01Å
423T96.8Very high93.1Very high67 Ų6767.8 Ų67.841%0.41135%0.35SS..EExtended strand (participates in β ladder)trans-126.3132.9-177.9-61.90000109.7E473 V474 T475T423-E473 HydrophobicContact CG2-CG 3.25Å; T423-V474 WeakPolarHBondContact CA-O 3.45Å; T423-T475 WeakPolarHBondContact CG2-OG1 3.4Å; T423-T475 WeakPolarHBondContact OG1-CG2 3.38Å; T423-T475 PolarHBondContact OG1-OG1 3.35Å
424Q96Very high93Very high81 Ų8165.4 Ų65.438%0.37935%0.349SS..EExtended strand (participates in β ladder)trans-139.2140.8176.9-173.3172.71.400110.6L411 F426 V474L411-Q424 HydrophobicContact CD2-CB 3.93Å; L411-Q424 HydrophobicContact CG-CB 4.21Å; Q424-F426 HydrophobicContact CB-CE2 3.78Å; Q424-F426 HydrophobicContact CB-CZ 4.16Å; Q424-F426 HydrophobicContact CG-CE2 3.88Å; Q424-F426 HydrophobicContact CG-CZ 3.91Å; Q424-F426 WeakPolarHBondContact O-CD2 3.49Å; Q424-V474 PolarHBondContact N-O 3.39Å; Q424-V474 PolarHBondContact O-N 2.9Å
425T95.2Very high92.9Very high62 Ų6264 Ų6438%0.3835%0.346SS..EExtended strand (participates in β ladder)trans-91.9129.2177.1-52.80000110.8Q471 I472T425-Q471 HydrophobicContact CG2-CB 3.81Å; T425-Q471 HydrophobicContact CG2-CG 4.24Å; T425-I472 CarbonylContact C-O 3.51Å; T425-I472 WeakPolarHBondContact CA-O 3.26Å
426F93.8Very high92.8Very high34 Ų3463.1 Ų63.115%0.14934%0.342CS..EExtended strand (participates in β ladder)trans-115.7173.6174.3-63.1-88.7000110L401 T403 T409 L411 Q424 I472 V474L401-F426 HydrophobicContact CD1-CD1 4.28Å; L401-F426 HydrophobicContact CD1-CE1 3.88Å; L401-F426 HydrophobicContact CD1-CE2 4.44Å; L401-F426 HydrophobicContact CD1-CZ 3.97Å; L401-F426 HydrophobicContact CD2-CD2 4.18Å; L401-F426 HydrophobicContact CD2-CE2 3.64Å; L401-F426 HydrophobicContact CD2-CZ 3.83Å; L401-F426 HydrophobicContact CG-CE1 4.49Å; L401-F426 HydrophobicContact CG-CE2 4.4Å; L401-F426 HydrophobicContact CG-CZ 4.09Å; T403-F426 HydrophobicContact CG2-CD1 4.14Å; T403-F426 HydrophobicContact CG2-CE1 3.82Å; T409-F426 HydrophobicContact CG2-CE1 4.12Å; T409-F426 HydrophobicContact CG2-CZ 4.15Å; L411-F426 HydrophobicContact CD1-CE2 4.4Å; L411-F426 HydrophobicContact CD1-CZ 4.03Å; L411-F426 HydrophobicContact CD2-CE2 4.42Å; Q424-F426 HydrophobicContact CB-CE2 3.78Å; Q424-F426 HydrophobicContact CB-CZ 4.16Å; Q424-F426 HydrophobicContact CG-CE2 3.88Å; Q424-F426 HydrophobicContact CG-CZ 3.91Å; Q424-F426 WeakPolarHBondContact O-CD2 3.49Å; F426-I472 PolarHBondContact N-O 3.36Å; F426-I472 PolarHBondContact O-N 3.45Å; F426-V474 HydrophobicContact CD2-CB 3.99Å; F426-V474 HydrophobicContact CD2-CG2 3.73Å; F426-V474 HydrophobicContact CE2-CB 4.03Å; F426-V474 HydrophobicContact CE2-CG2 4.23Å
427T90.6Very high92.6Very high75 Ų7565.6 Ų65.646%0.4635%0.353SS..EExtended strand (participates in β ladder)trans-134.3163.7177.763.30000111.4P470T427-P470 VanDerWaalsContact CA-O 3.29Å; T427-P470 WeakPolarHBondContact CA-O 3.23Å; T427-P470 WeakPolarHBondContact CB-O 3.23Å
428T89.2Confident92.4Very high4 Ų463.6 Ų63.63%0.02534%0.34CS..  trans-63.5148.4172.752.20000111.9Q433 V436 I462 G468 P470T428-Q433 HydrophobicContact CG2-CB 4.05Å; T428-Q433 HydrophobicContact CG2-CG 4.23Å; T428-V436 HydrophobicContact CG2-CG1 3.93Å; T428-I462 HydrophobicContact CG2-CD1 4.15Å; T428-I462 HydrophobicContact CG2-CG2 4.41Å; T428-G468 PolarHBondContact O-N 2.98Å; T428-P470 HydrophobicContact CG2-CB 3.93Å; T428-P470 HydrophobicContact CG2-CG 3.88Å; T428-P470 WeakPolarHBondContact OG1-CD 3.2Å
429Y85.9Confident92.4Very high157 Ų15764.6 Ų64.662%0.61635%0.345SS*.SBendtrans-87.3-30.6-178179.7-110.3000112.3A404 R467A404-Y429 HydrophobicContact CB-CD2 3.66Å; A404-Y429 HydrophobicContact CB-CE2 3.53Å; Y429-R467 WeakPolarHBondContact O-CD 3.36Å
430S88.7Confident92.3Very high61 Ų6160.3 Ų60.343%0.42732%0.317SS..SBendtrans-125.1153.1-177.2-62.70000112.1Q433S430-Q433 VanDerWaalsContact O-CB 3.31Å; S430-Q433 WeakPolarHBondContact O-CB 3.02Å; S430-Q433 PolarHBondContact O-N 3.08Å
431D91.1Very high91.9Very high94 Ų9459.6 Ų59.650%0.50331%0.312SS..THydrogen-bonded Turntrans-62.6140.7176.2-65-18.9000110.2Q433 R467D431-Q433 PolarHBondContact O-N 3.42Å; D431-Q433 VanDerWaalsContact O-N 3.08Å; D431-R467 WeakPolarHBondContact OD1-CB 3.47Å; D431-R467 WeakPolarHBondContact OD1-CG 3.49Å; D431-R467 PolarHBondContact OD1-N 2.91Å
432N91.9Very high91.4Very high95 Ų9554.5 Ų54.551%0.50829%0.29SS..THydrogen-bonded Turntrans54.627.2178.1-52.5-52.1000113.9P434 P464 A465N432-P434 VanDerWaalsContact O-CD 3.32Å; N432-P434 WeakPolarHBondContact O-CD 3.5Å; N432-P464 HydrophobicContact CB-CB 4.05Å; N432-P464 VanDerWaalsContact OD1-CB 3.28Å; N432-P464 WeakPolarHBondContact OD1-CB 3.49Å; N432-A465 PolarHBondContact N-O 2.86Å; N432-A465 PolarHBondContact OD1-N 2.79Å
433Q89.7Confident90.7Very high43 Ų4351.1 Ų51.120%0.20128%0.277CS..  trans-62.2114.7176.8176172.2-7.900109.9T428 S430 D431 G435T428-Q433 HydrophobicContact CG2-CB 4.05Å; T428-Q433 HydrophobicContact CG2-CG 4.23Å; S430-Q433 VanDerWaalsContact O-CB 3.31Å; S430-Q433 WeakPolarHBondContact O-CB 3.02Å; S430-Q433 PolarHBondContact O-N 3.08Å; D431-Q433 PolarHBondContact O-N 3.42Å; D431-Q433 VanDerWaalsContact O-N 3.08Å; Q433-G435 VanDerWaalsContact C-N 3.26Å; Q433-G435 WeakPolarHBondContact CG-O 3.21Å; Q433-G435 PolarHBondContact NE2-O 2.63Å; Q433-G435 PolarHBondContact O-N 2.91Å
434P90.2Very high90.2Very high95 Ų9552.3 Ų52.362%0.61728%0.277SS*.  trans-75.8-13.9-171.630.6-36.3000113.7N432 G461 I462N432-P434 VanDerWaalsContact O-CD 3.32Å; N432-P434 WeakPolarHBondContact O-CD 3.5Å; P434-G461 PolarHBondContact O-N 3.01Å; P434-I462 PolarHBondContact O-N 3.1Å
435G89.1Confident89.5Confident8 Ų856.5 Ų56.58%0.08229%0.29CS..EExtended strand (participates in β ladder)trans-165.5158.4179.500000112.5Q433 L459Q433-G435 VanDerWaalsContact C-N 3.26Å; Q433-G435 WeakPolarHBondContact CG-O 3.21Å; Q433-G435 PolarHBondContact NE2-O 2.63Å; Q433-G435 PolarHBondContact O-N 2.91Å; G435-L459 CarbonylContact C-O 3.52Å; G435-L459 WeakPolarHBondContact CA-O 3.25Å
436V90.2Very high88.9Confident12 Ų1257.2 Ų57.27%0.07330%0.302CS..EExtended strand (participates in β ladder)trans-113.9128.4176-65.30000110.3T428 I438 E458 L459 I462 I472T428-V436 HydrophobicContact CG2-CG1 3.93Å; V436-I438 HydrophobicContact CG2-CD1 4.07Å; V436-I438 HydrophobicContact CG2-CG1 4.42Å; V436-E458 CarbonylContact O-C 3.38Å; V436-E458 WeakPolarHBondContact O-CA 3.45Å; V436-L459 HydrophobicContact CG2-CB 3.75Å; V436-L459 HydrophobicContact CG2-CD2 4.06Å; V436-L459 HydrophobicContact CG2-CG 4.31Å; V436-L459 PolarHBondContact N-O 2.85Å; V436-L459 PolarHBondContact O-N 2.54Å; V436-I462 HydrophobicContact CB-CD1 4.39Å; V436-I462 HydrophobicContact CG1-CD1 3.76Å; V436-I462 HydrophobicContact CG2-CD1 4.13Å; V436-I472 HydrophobicContact CG1-CG1 4.34Å; V436-I472 HydrophobicContact CG2-CG1 4.26Å; V436-I472 HydrophobicContact CG2-CG2 4.12Å
437L91.1Very high88.3Confident91 Ų9158.6 Ų58.648%0.47631%0.311SS..EExtended strand (participates in β ladder)trans-85.4111.1169.8-179.669.6000108.5Q439 K456L437-Q439 HydrophobicContact CD2-CG 3.94Å; L437-Q439 HydrophobicContact CG-CG 3.91Å; L437-K456 HydrophobicContact CD1-CB 4.37Å; L437-K456 HydrophobicContact CD1-CD 4.39Å
438I92.1Very high88.1Confident14 Ų1455.2 Ų55.27%0.07229%0.29CS..EExtended strand (participates in β ladder)trans-89.8118.2173.3-54.9-60.7000107.7V436 V440 K456 F457 V474 A488V436-I438 HydrophobicContact CG2-CD1 4.07Å; V436-I438 HydrophobicContact CG2-CG1 4.42Å; I438-V440 HydrophobicContact CG2-CG2 4.03Å; I438-K456 CarbonylContact O-C 3.59Å; I438-K456 WeakPolarHBondContact O-CA 3.49Å; I438-K456 WeakPolarHBondContact O-CB 3.4Å; I438-F457 HydrophobicContact CB-CD1 3.87Å; I438-F457 HydrophobicContact CB-CE1 3.51Å; I438-F457 HydrophobicContact CB-CE2 4.27Å; I438-F457 HydrophobicContact CB-CG 4.42Å; I438-F457 HydrophobicContact CB-CZ 3.73Å; I438-F457 HydrophobicContact CG1-CE1 4.24Å; I438-F457 HydrophobicContact CG1-CE2 4.17Å; I438-F457 HydrophobicContact CG1-CZ 3.92Å; I438-F457 HydrophobicContact CG2-CD1 4.16Å; I438-F457 HydrophobicContact CG2-CE1 3.41Å; I438-F457 VanDerWaalsContact CG2-CE1 3.41Å; I438-F457 HydrophobicContact CG2-CZ 3.78Å; I438-F457 PolarHBondContact N-O 2.91Å; I438-F457 PolarHBondContact O-N 3.18Å; I438-V474 HydrophobicContact CD1-CG2 4.05Å; I438-A488 HydrophobicContact CG1-CB 4.07Å
439Q92.8Very high87.8Confident36 Ų3662.6 Ų62.617%0.16832%0.322CS..EExtended strand (participates in β ladder)trans-113.2125.6174.8-59.1-17496.300108.2L401 E402 L437 F441 L453 K456L401-Q439 CarbonylContact C-O 3.52Å; L401-Q439 WeakPolarHBondContact CA-O 3.31Å; L401-Q439 WeakPolarHBondContact CB-O 3.45Å; E402-Q439 HydrophobicContact CB-CB 4.23Å; E402-Q439 PolarHBondContact N-O 3.26Å; E402-Q439 PolarHBondContact OE1-NE2 2.79Å; L437-Q439 HydrophobicContact CD2-CG 3.94Å; L437-Q439 HydrophobicContact CG-CG 3.91Å; Q439-F441 HydrophobicContact CB-CD2 4.45Å; Q439-F441 HydrophobicContact CB-CE2 3.48Å; Q439-F441 VanDerWaalsContact CB-CE2 3.48Å; Q439-F441 HydrophobicContact CB-CZ 4.03Å; Q439-F441 WeakPolarHBondContact O-CD2 3.46Å; Q439-F441 WeakPolarHBondContact O-CE2 3.36Å; Q439-L453 HydrophobicContact CB-CD1 4.33Å; Q439-K456 HydrophobicContact CB-CB 4.31Å; Q439-K456 HydrophobicContact CG-CB 3.9Å; Q439-K456 HydrophobicContact CG-CD 4.42Å
440V92.5Very high87.5Confident0 Ų059.5 Ų59.50%032%0.315CS..EExtended strand (participates in β ladder)trans-111.1133.8-171.7177.20000110G400 I438 L453 L454 G455 F476 L484 V486 I501G400-V440 WeakPolarHBondContact O-CA 3.39Å; I438-V440 HydrophobicContact CG2-CG2 4.03Å; V440-L453 WeakPolarHBondContact O-CD1 3.04Å; V440-L454 HydrophobicContact CG1-CB 4.42Å; V440-L454 HydrophobicContact CG1-CD1 4.39Å; V440-L454 PolarHBondContact O-N 3.47Å; V440-G455 PolarHBondContact N-O 2.79Å; V440-G455 PolarHBondContact O-N 2.83Å; V440-F476 HydrophobicContact CB-CZ 4.45Å; V440-F476 HydrophobicContact CG1-CE1 3.71Å; V440-F476 HydrophobicContact CG1-CZ 3.8Å; V440-F476 HydrophobicContact CG2-CZ 3.99Å; V440-L484 HydrophobicContact CG1-CD2 3.87Å; V440-V486 HydrophobicContact CG1-CG2 4.25Å; V440-V486 HydrophobicContact CG2-CB 4.35Å; V440-V486 HydrophobicContact CG2-CG1 4.03Å; V440-V486 HydrophobicContact CG2-CG2 4.19Å; V440-I501 HydrophobicContact CB-CD1 3.57Å; V440-I501 HydrophobicContact CB-CG1 4.38Å; V440-I501 HydrophobicContact CG1-CD1 3.89Å; V440-I501 HydrophobicContact CG1-CG1 4.16Å; V440-I501 HydrophobicContact CG2-CD1 3.49Å; V440-I501 VanDerWaalsContact CG2-CD1 3.49Å; V440-I501 HydrophobicContact CG2-CG1 4.42Å
441F88.1Confident87.1Confident12 Ų1257.7 Ų57.75%0.05330%0.301CS..EExtended strand (participates in β ladder)trans-130.6156.9-173.2-62.1-99.2000111.1G400 E402 M408 Q439 T448 N451 N452 L453G400-F441 PolarHBondContact N-O 3.03Å; G400-F441 PolarHBondContact O-N 3.36Å; E402-F441 HydrophobicContact CB-CD2 4.47Å; E402-F441 HydrophobicContact CB-CE2 3.78Å; M408-F441 HydrophobicContact CE-CB 3.9Å; M408-F441 WeakPolarHBondContact CE-O 3.47Å; M408-F441 HydrophobicContact SD-CB 3.78Å; M408-F441 HydrophobicContact SD-CG 4.49Å; Q439-F441 HydrophobicContact CB-CD2 4.45Å; Q439-F441 HydrophobicContact CB-CE2 3.48Å; Q439-F441 VanDerWaalsContact CB-CE2 3.48Å; Q439-F441 HydrophobicContact CB-CZ 4.03Å; Q439-F441 WeakPolarHBondContact O-CD2 3.46Å; Q439-F441 WeakPolarHBondContact O-CE2 3.36Å; F441-T448 HydrophobicContact CD1-CG2 4.42Å; F441-T448 HydrophobicContact CD2-CG2 3.74Å; F441-T448 HydrophobicContact CE1-CG2 4.42Å; F441-T448 WeakPolarHBondContact CE1-O 3.35Å; F441-T448 HydrophobicContact CE2-CG2 3.76Å; F441-T448 HydrophobicContact CG-CG2 4.11Å; F441-T448 HydrophobicContact CZ-CG2 4.11Å; F441-N451 HydrophobicContact CB-CB 4.32Å; F441-N451 HydrophobicContact CD1-CB 4.34Å; F441-N452 CarbonylContact C-O 3.53Å; F441-N452 WeakPolarHBondContact CA-O 3.43Å; F441-N452 WeakPolarHBondContact CB-O 3.41Å; F441-L453 HydrophobicContact CD1-CB 4.04Å; F441-L453 HydrophobicContact CD1-CD1 4.17Å; F441-L453 HydrophobicContact CD2-CD1 4.47Å; F441-L453 HydrophobicContact CE1-CB 3.79Å; F441-L453 HydrophobicContact CE1-CD1 3.67Å; F441-L453 HydrophobicContact CE1-CG 4.31Å; F441-L453 HydrophobicContact CE2-CD1 3.98Å; F441-L453 HydrophobicContact CZ-CD1 3.56Å
442E87.2Confident86.7Confident23 Ų2356.1 Ų56.111%0.10729%0.293CS..EExtended strand (participates in β ladder)trans-117.8140163.165.4-177.8179.200110.2N149 L397 S398 L399 N451 N452 L454N149-E442 WeakPolarHBondContact CB-OE1 3.48Å; N149-E442 WeakPolarHBondContact CB-OE2 3.32Å; N149-E442 PolarHBondContact ND2-OE1 3.12Å; N149-E442 VanDerWaalsContact ND2-OE1 3.14Å; L397-E442 HydrophobicContact CD1-CG 4.45Å; S398-E442 WeakPolarHBondContact O-CA 3.39Å; L399-E442 HydrophobicContact CD2-CB 3.67Å; E442-N451 WeakPolarHBondContact O-CB 3.4Å; E442-N452 HydrophobicContact CG-CB 3.7Å; E442-N452 PolarHBondContact N-O 3.06Å; E442-N452 PolarHBondContact O-N 3.25Å; E442-N452 PolarHBondContact OE1-ND2 3.29Å; E442-L454 HydrophobicContact CB-CD1 3.93Å; E442-L454 HydrophobicContact CB-CD2 4.41Å; E442-L454 HydrophobicContact CB-CG 4.15Å; E442-L454 VanDerWaalsContact CD-CD2 3.5Å; E442-L454 HydrophobicContact CG-CD1 4.28Å; E442-L454 HydrophobicContact CG-CD2 3.84Å; E442-L454 HydrophobicContact CG-CG 4Å
443G83Confident86.4Confident10 Ų1054.4 Ų54.410%0.10328%0.283CS..SBendtrans139.7172.7173.600000114.5S398 N451S398-G443 PolarHBondContact O-N 3.14Å; G443-N451 WeakPolarHBondContact CA-OD1 3.26Å
444E85Confident86.1Confident91 Ų9152.6 Ų52.643%0.42528%0.275SS..SBendtrans-108.95.9-172.1-51.7-52.9138.500113.6L397 S398 R414 N451L397-E444 HydrophobicContact CD2-CG 4.39Å; S398-E444 VanDerWaalsContact CB-OE1 3.25Å; S398-E444 WeakPolarHBondContact CB-OE1 3.21Å; S398-E444 PolarHBondContact N-OE1 3.47Å; S398-E444 VanDerWaalsContact OG-CD 3.28Å; S398-E444 PolarHBondContact OG-OE1 3.35Å; S398-E444 PolarHBondContact OG-OE2 2.86Å; R414-E444 VanDerWaalsContact CD-CD 3.49Å; E444-N451 PolarHBondContact N-OD1 2.78Å
445R81.4Confident85.9Confident170 Ų17048.6 Ų48.664%0.64225%0.251SS*.  trans-81.3148.5177.4-55.4-62.9-141.6172.85.7110.5M408 L447 D450 N451M408-R445 WeakPolarHBondContact CB-O 3.41Å; R445-L447 VanDerWaalsContact C-N 3.32Å; R445-L447 PolarHBondContact O-N 3.46Å; R445-D450 HydrophobicContact CB-CB 3.82Å; R445-D450 HydrophobicContact CG-CB 3.87Å; R445-D450 WeakPolarHBondContact CG-O 3.44Å; R445-N451 WeakPolarHBondContact CA-OD1 3.49Å; R445-N451 WeakPolarHBondContact CB-OD1 3.27Å; R445-N451 PolarHBondContact N-OD1 2.89Å; R445-N451 PolarHBondContact O-ND2 3.31Å
446A83.5Confident86Confident77 Ų7753.6 Ų53.664%0.63627%0.27SS*.SBendtrans-67.7-30.4-178.700000113.6M408M408-A446 PolarHBondContact N-O 3.16Å
447L81.1Confident85.9Confident63 Ų6353.8 Ų53.833%0.3327%0.27SS..BIsolated β-bridgetrans-108.1137.7179.8-59.8176.9000110.2G406 V407 R445 K449 D450 N451G406-L447 CarbonylContact O-C 3.53Å; G406-L447 VanDerWaalsContact O-CA 3.31Å; G406-L447 WeakPolarHBondContact O-CA 3.46Å; V407-L447 HydrophobicContact CG2-CD2 4.27Å; R445-L447 VanDerWaalsContact C-N 3.32Å; R445-L447 PolarHBondContact O-N 3.46Å; L447-K449 VanDerWaalsContact C-N 3.28Å; L447-K449 HydrophobicContact CB-CG 4.09Å; L447-K449 PolarHBondContact O-N 2.95Å; L447-D450 PolarHBondContact O-N 3.2Å; L447-D450 VanDerWaalsContact O-N 3.15Å; L447-N451 PolarHBondContact O-ND2 2.82Å
448T86Confident85.9Confident4 Ų454.6 Ų54.63%0.02527%0.272CS..G310 helixtrans-63.4-31.8-177.250.30000113.4E402 G406 M408 F441 D450 N451E402-T448 HydrophobicContact CB-CG2 3.78Å; E402-T448 HydrophobicContact CG-CG2 3.89Å; E402-T448 WeakPolarHBondContact OE2-CB 3.44Å; E402-T448 PolarHBondContact OE2-OG1 3.06Å; G406-T448 PolarHBondContact O-N 2.74Å; G406-T448 PolarHBondContact O-OG1 3.11Å; G406-T448 VanDerWaalsContact O-OG1 3.09Å; M408-T448 HydrophobicContact CB-CG2 4.03Å; M408-T448 HydrophobicContact SD-CG2 4.27Å; F441-T448 HydrophobicContact CD1-CG2 4.42Å; F441-T448 HydrophobicContact CD2-CG2 3.74Å; F441-T448 HydrophobicContact CE1-CG2 4.42Å; F441-T448 WeakPolarHBondContact CE1-O 3.35Å; F441-T448 HydrophobicContact CE2-CG2 3.76Å; F441-T448 HydrophobicContact CG-CG2 4.11Å; F441-T448 HydrophobicContact CZ-CG2 4.11Å; T448-D450 PolarHBondContact O-N 3.22Å; T448-D450 VanDerWaalsContact O-N 3.13Å; T448-N451 PolarHBondContact O-N 2.98Å
449K83.1Confident85.8Confident159 Ų15954.1 Ų54.169%0.69127%0.269SS*.G310 helixtrans-58.3-23.6175.471.8177.4-171.4174.70114L447L447-K449 VanDerWaalsContact C-N 3.28Å; L447-K449 HydrophobicContact CB-CG 4.09Å; L447-K449 PolarHBondContact O-N 2.95Å
450D79Confident85.7Confident91 Ų9155.8 Ų55.849%0.48729%0.285SS..G310 helixtrans-102.51.3-178.3-55.6-51000111.7R445 L447 T448R445-D450 HydrophobicContact CB-CB 3.82Å; R445-D450 HydrophobicContact CG-CB 3.87Å; R445-D450 WeakPolarHBondContact CG-O 3.44Å; L447-D450 PolarHBondContact O-N 3.2Å; L447-D450 VanDerWaalsContact O-N 3.15Å; T448-D450 PolarHBondContact O-N 3.22Å; T448-D450 VanDerWaalsContact O-N 3.13Å
451N80.9Confident85.4Confident23 Ų2357.4 Ų57.412%0.12330%0.302CS..SBendtrans-107.2170.4175.9-73.2-37.9000110.6M408 F441 E442 G443 E444 R445 L447 T448M408-N451 WeakPolarHBondContact CG-ND2 3.46Å; F441-N451 HydrophobicContact CB-CB 4.32Å; F441-N451 HydrophobicContact CD1-CB 4.34Å; E442-N451 WeakPolarHBondContact O-CB 3.4Å; G443-N451 WeakPolarHBondContact CA-OD1 3.26Å; E444-N451 PolarHBondContact N-OD1 2.78Å; R445-N451 WeakPolarHBondContact CA-OD1 3.49Å; R445-N451 WeakPolarHBondContact CB-OD1 3.27Å; R445-N451 PolarHBondContact N-OD1 2.89Å; R445-N451 PolarHBondContact O-ND2 3.31Å; L447-N451 PolarHBondContact O-ND2 2.82Å; T448-N451 PolarHBondContact O-N 2.98Å
452N82.4Confident85.4Confident62 Ų6257.2 Ų57.233%0.33230%0.301SS..EExtended strand (participates in β ladder)trans-86.6126.8177.7-17637.3000110.8F441 E442F441-N452 CarbonylContact C-O 3.53Å; F441-N452 WeakPolarHBondContact CA-O 3.43Å; F441-N452 WeakPolarHBondContact CB-O 3.41Å; E442-N452 HydrophobicContact CG-CB 3.7Å; E442-N452 PolarHBondContact N-O 3.06Å; E442-N452 PolarHBondContact O-N 3.25Å; E442-N452 PolarHBondContact OE1-ND2 3.29Å
453L86.3Confident85.5Confident58 Ų5859.1 Ų59.130%0.30432%0.315SS..EExtended strand (participates in β ladder)trans-79.6118.5174.6176.270.6000109.4Q439 V440 F441Q439-L453 HydrophobicContact CB-CD1 4.33Å; V440-L453 WeakPolarHBondContact O-CD1 3.04Å; F441-L453 HydrophobicContact CD1-CB 4.04Å; F441-L453 HydrophobicContact CD1-CD1 4.17Å; F441-L453 HydrophobicContact CD2-CD1 4.47Å; F441-L453 HydrophobicContact CE1-CB 3.79Å; F441-L453 HydrophobicContact CE1-CD1 3.67Å; F441-L453 HydrophobicContact CE1-CG 4.31Å; F441-L453 HydrophobicContact CE2-CD1 3.98Å; F441-L453 HydrophobicContact CZ-CD1 3.56Å
454L83.6Confident85.9Confident6 Ų663.7 Ų63.73%0.03134%0.343CS..EExtended strand (participates in β ladder)trans-87.9-39.5177.5-67.6-178.7000112.5N149 L399 V440 E442 L484 I501N149-L454 HydrophobicContact CB-CD2 4.36Å; L399-L454 HydrophobicContact CD2-CD1 3.88Å; V440-L454 HydrophobicContact CG1-CB 4.42Å; V440-L454 HydrophobicContact CG1-CD1 4.39Å; V440-L454 PolarHBondContact O-N 3.47Å; E442-L454 HydrophobicContact CB-CD1 3.93Å; E442-L454 HydrophobicContact CB-CD2 4.41Å; E442-L454 HydrophobicContact CB-CG 4.15Å; E442-L454 VanDerWaalsContact CD-CD2 3.5Å; E442-L454 HydrophobicContact CG-CD1 4.28Å; E442-L454 HydrophobicContact CG-CD2 3.84Å; E442-L454 HydrophobicContact CG-CG 4Å; L454-L484 HydrophobicContact CD1-CD2 3.94Å; L454-I501 HydrophobicContact CB-CG2 3.79Å
455G86.3Confident86.2Confident10 Ų1060.3 Ų60.310%0.10333%0.331CS..EExtended strand (participates in β ladder)trans-179.6172-176.400000112.8V440V440-G455 PolarHBondContact N-O 2.79Å; V440-G455 PolarHBondContact O-N 2.83Å
456K89.9Confident86.8Confident114 Ų11456.1 Ų56.150%0.49633%0.325SS..EExtended strand (participates in β ladder)trans-153.5151.1175.965-177.4-176.61770112.2L437 I438 Q439L437-K456 HydrophobicContact CD1-CB 4.37Å; L437-K456 HydrophobicContact CD1-CD 4.39Å; I438-K456 CarbonylContact O-C 3.59Å; I438-K456 WeakPolarHBondContact O-CA 3.49Å; I438-K456 WeakPolarHBondContact O-CB 3.4Å; Q439-K456 HydrophobicContact CB-CB 4.31Å; Q439-K456 HydrophobicContact CG-CB 3.9Å; Q439-K456 HydrophobicContact CG-CD 4.42Å
457F89.6Confident87.1Confident16 Ų1660.4 Ų60.47%0.0733%0.325CS..EExtended strand (participates in β ladder)trans-152.3158.4177.564.3-72.6000110.9I438 V486 A488 I499I438-F457 HydrophobicContact CB-CD1 3.87Å; I438-F457 HydrophobicContact CB-CE1 3.51Å; I438-F457 HydrophobicContact CB-CE2 4.27Å; I438-F457 HydrophobicContact CB-CG 4.42Å; I438-F457 HydrophobicContact CB-CZ 3.73Å; I438-F457 HydrophobicContact CG1-CE1 4.24Å; I438-F457 HydrophobicContact CG1-CE2 4.17Å; I438-F457 HydrophobicContact CG1-CZ 3.92Å; I438-F457 HydrophobicContact CG2-CD1 4.16Å; I438-F457 HydrophobicContact CG2-CE1 3.41Å; I438-F457 VanDerWaalsContact CG2-CE1 3.41Å; I438-F457 HydrophobicContact CG2-CZ 3.78Å; I438-F457 PolarHBondContact N-O 2.91Å; I438-F457 PolarHBondContact O-N 3.18Å; F457-V486 HydrophobicContact CE1-CB 4.34Å; F457-V486 HydrophobicContact CE1-CG1 3.87Å; F457-V486 HydrophobicContact CZ-CG1 4.01Å; F457-A488 HydrophobicContact CE2-CB 3.67Å; F457-A488 HydrophobicContact CZ-CB 3.88Å; F457-I499 HydrophobicContact CB-CB 4.08Å; F457-I499 HydrophobicContact CB-CD1 3.66Å; F457-I499 HydrophobicContact CB-CG1 4.45Å; F457-I499 HydrophobicContact CB-CG2 4.24Å; F457-I499 HydrophobicContact CD1-CB 3.88Å; F457-I499 HydrophobicContact CD1-CD1 4.42Å; F457-I499 HydrophobicContact CD1-CG2 3.1Å; F457-I499 HydrophobicContact CD2-CB 4.36Å; F457-I499 HydrophobicContact CD2-CG2 4.27Å; F457-I499 HydrophobicContact CE1-CB 4.33Å; F457-I499 HydrophobicContact CE1-CG2 3.28Å; F457-I499 HydrophobicContact CE2-CG2 4.41Å; F457-I499 HydrophobicContact CG-CB 3.87Å; F457-I499 HydrophobicContact CG-CD1 4.31Å; F457-I499 HydrophobicContact CG-CG2 3.64Å; F457-I499 HydrophobicContact CZ-CG2 3.96Å
458E90.4Very high87.4Confident108 Ų10859.4 Ų59.451%0.50533%0.33SS..EExtended strand (participates in β ladder)trans-110.3126.5-179.4-171.6178.6178.700110.7V436 N497V436-E458 CarbonylContact O-C 3.38Å; V436-E458 WeakPolarHBondContact O-CA 3.45Å; E458-N497 PolarHBondContact O-ND2 3.37Å
459L89.4Confident87.7Confident3 Ų363.3 Ų63.32%0.01635%0.354CS..EExtended strand (participates in β ladder)trans-93104164.9172.467.8000108G435 V436 I472 A488 D490 N497G435-L459 CarbonylContact C-O 3.52Å; G435-L459 WeakPolarHBondContact CA-O 3.25Å; V436-L459 HydrophobicContact CG2-CB 3.75Å; V436-L459 HydrophobicContact CG2-CD2 4.06Å; V436-L459 HydrophobicContact CG2-CG 4.31Å; V436-L459 PolarHBondContact N-O 2.85Å; V436-L459 PolarHBondContact O-N 2.54Å; L459-I472 HydrophobicContact CD2-CD1 4.01Å; L459-I472 HydrophobicContact CD2-CG2 3.73Å; L459-A488 HydrophobicContact CB-CB 4.47Å; L459-A488 HydrophobicContact CD2-CB 4.13Å; L459-D490 HydrophobicContact CD2-CB 4.34Å; L459-N497 HydrophobicContact CB-CB 4.4Å; L459-N497 HydrophobicContact CD1-CB 3.76Å
460S90.1Very high88.1Confident72 Ų7256.3 Ų56.350%0.50333%0.325SS..EExtended strand (participates in β ladder)trans-104167.7-177.363.60000112.9
461G86.8Confident88.8Confident34 Ų3456.5 Ų56.535%0.35132%0.323SS..  trans8027.717800000113.9P434 K495P434-G461 PolarHBondContact O-N 3.01Å; G461-K495 PolarHBondContact O-NZ 3.23Å
462I87.7Confident89.3Confident8 Ų855.5 Ų55.54%0.04132%0.318CS..PPolyproline II helixtrans-70.9126171-59.4174.8000108T428 P434 V436 P470 I472T428-I462 HydrophobicContact CG2-CD1 4.15Å; T428-I462 HydrophobicContact CG2-CG2 4.41Å; P434-I462 PolarHBondContact O-N 3.1Å; V436-I462 HydrophobicContact CB-CD1 4.39Å; V436-I462 HydrophobicContact CG1-CD1 3.76Å; V436-I462 HydrophobicContact CG2-CD1 4.13Å; I462-P470 HydrophobicContact CG2-CB 3.8Å; I462-P470 HydrophobicContact CG2-CG 3.85Å; I462-I472 HydrophobicContact CD1-CD1 3.88Å; I462-I472 HydrophobicContact CG1-CD1 4.49Å
463P89.2Confident89.9Confident63 Ų6355.3 Ų55.341%0.40932%0.315SS..PPolyproline II helixtrans-59.2144.6177.8-24.134000112.2A465 T493P463-A465 PolarHBondContact O-N 3.38Å; P463-A465 VanDerWaalsContact O-N 3.09Å; P463-T493 HydrophobicContact CG-CG2 3.39Å
464P91.8Very high90.3Very high106 Ų10652.5 Ų52.569%0.68830%0.3SS*.SBendtrans-57.1116.4174.4-2433.9000111.3N432N432-P464 HydrophobicContact CB-CB 4.05Å; N432-P464 VanDerWaalsContact OD1-CB 3.28Å; N432-P464 WeakPolarHBondContact OD1-CB 3.49Å
465A91.7Very high90.9Very high20 Ų2052.7 Ų52.717%0.16530%0.302CS..  trans-148.7157.8176.600000110N432 P463 T469 P470N432-A465 PolarHBondContact N-O 2.86Å; N432-A465 PolarHBondContact OD1-N 2.79Å; P463-A465 PolarHBondContact O-N 3.38Å; P463-A465 VanDerWaalsContact O-N 3.09Å; A465-T469 HydrophobicContact CB-CG2 4.35Å; A465-P470 HydrophobicContact CB-CG 4.04Å
466P93.1Very high91.3Very high81 Ų8152.2 Ų52.253%0.52630%0.297SS..  trans-56.1144.1171.5-22.433.2000111.1T469 P470P466-T469 WeakPolarHBondContact O-CB 3.28Å; P466-T469 PolarHBondContact O-N 3.41Å; P466-T469 PolarHBondContact O-OG1 3.42Å; P466-P470 WeakPolarHBondContact O-CD 3.36Å
467R89.7Confident91.6Very high167 Ų16749.5 Ų49.563%0.6329%0.288SS*.THydrogen-bonded Turntrans-50.3144.9174.169.6-175179.2165.4-0.8110.7Y429 D431 T469Y429-R467 WeakPolarHBondContact O-CD 3.36Å; D431-R467 WeakPolarHBondContact OD1-CB 3.47Å; D431-R467 WeakPolarHBondContact OD1-CG 3.49Å; D431-R467 PolarHBondContact OD1-N 2.91Å; R467-T469 PolarHBondContact O-N 2.82Å
468G88.4Confident91.7Very high43 Ų4349 Ų4944%0.44329%0.285SS..THydrogen-bonded Turntrans82.2-14.2-174.500000115T428T428-G468 PolarHBondContact O-N 2.98Å
469T92.4Very high91.7Very high85 Ų8545.9 Ų45.952%0.52127%0.272SS..  trans-82.4-50.3178.8-47.50000112.7A465 P466 R467 Q471A465-T469 HydrophobicContact CB-CG2 4.35Å; P466-T469 WeakPolarHBondContact O-CB 3.28Å; P466-T469 PolarHBondContact O-N 3.41Å; P466-T469 PolarHBondContact O-OG1 3.42Å; R467-T469 PolarHBondContact O-N 2.82Å; T469-Q471 PolarHBondContact O-N 3.05Å
470P91Very high91.8Very high13 Ų1347.8 Ų47.88%0.08429%0.289CS..SBendtrans-62.9129.9174.2-20.634000110.8T427 T428 I462 A465 P466 I472T427-P470 VanDerWaalsContact CA-O 3.29Å; T427-P470 WeakPolarHBondContact CA-O 3.23Å; T427-P470 WeakPolarHBondContact CB-O 3.23Å; T428-P470 HydrophobicContact CG2-CB 3.93Å; T428-P470 HydrophobicContact CG2-CG 3.88Å; T428-P470 WeakPolarHBondContact OG1-CD 3.2Å; I462-P470 HydrophobicContact CG2-CB 3.8Å; I462-P470 HydrophobicContact CG2-CG 3.85Å; A465-P470 HydrophobicContact CB-CG 4.04Å; P466-P470 WeakPolarHBondContact O-CD 3.36Å; P470-I472 HydrophobicContact CB-CD1 4.45Å
471Q93.3Very high91.7Very high94 Ų9445.3 Ų45.344%0.43927%0.269SS..EExtended strand (participates in β ladder)trans-106.2112.4178.7-69.1-172.616.100109.7T425 T469 K491T425-Q471 HydrophobicContact CG2-CB 3.81Å; T425-Q471 HydrophobicContact CG2-CG 4.24Å; T469-Q471 PolarHBondContact O-N 3.05Å; Q471-K491 HydrophobicContact CB-CB 4.17Å; Q471-K491 HydrophobicContact CB-CD 4.16Å; Q471-K491 HydrophobicContact CB-CG 4.32Å; Q471-K491 PolarHBondContact O-N 3.43Å
472I92.7Very high91.7Very high2 Ų244.3 Ų44.31%0.0126%0.26CS..EExtended strand (participates in β ladder)trans-103.7106.2-178.4-47.9-53.3000108.7T425 F426 V436 L459 I462 P470 V474 A488 V489 D490T425-I472 CarbonylContact C-O 3.51Å; T425-I472 WeakPolarHBondContact CA-O 3.26Å; F426-I472 PolarHBondContact N-O 3.36Å; F426-I472 PolarHBondContact O-N 3.45Å; V436-I472 HydrophobicContact CG1-CG1 4.34Å; V436-I472 HydrophobicContact CG2-CG1 4.26Å; V436-I472 HydrophobicContact CG2-CG2 4.12Å; L459-I472 HydrophobicContact CD2-CD1 4.01Å; L459-I472 HydrophobicContact CD2-CG2 3.73Å; I462-I472 HydrophobicContact CD1-CD1 3.88Å; I462-I472 HydrophobicContact CG1-CD1 4.49Å; P470-I472 HydrophobicContact CB-CD1 4.45Å; I472-V474 HydrophobicContact CG2-CG2 4.15Å; I472-V474 PolarHBondContact O-N 2.74Å; I472-A488 HydrophobicContact CG2-CB 4.16Å; I472-V489 CarbonylContact C-O 3.57Å; I472-V489 WeakPolarHBondContact CA-O 3.29Å; I472-D490 HydrophobicContact CD1-CB 3.98Å
473E94.7Very high91.6Very high58 Ų5844.3 Ų44.327%0.27126%0.259SS..EExtended strand (participates in β ladder)trans-82.5112.3175.6-170.417093.200109.8T423 A488 V489 K491T423-E473 HydrophobicContact CG2-CG 3.25Å; E473-A488 CarbonylContact O-C 3.58Å; E473-A488 WeakPolarHBondContact O-CA 3.13Å; E473-V489 PolarHBondContact N-O 3.07Å; E473-V489 PolarHBondContact O-N 3.47Å; E473-K491 HydrophobicContact CB-CD 4.24Å; E473-K491 HydrophobicContact CB-CG 4.11Å; E473-K491 IonicContact OE2-NZ 3.23Å; E473-K491 PolarHBondContact OE2-NZ 2.91Å
474V94.6Very high91.6Very high0 Ų041.5 Ų41.50%024%0.241CC..EExtended strand (participates in β ladder)trans-104.6131176.9-174.90000108.9L401 T423 Q424 F426 I438 I472 F476 V486 S487 A488L401-V474 HydrophobicContact CD2-CB 3.99Å; L401-V474 HydrophobicContact CD2-CG1 3.66Å; L401-V474 HydrophobicContact CD2-CG2 4.06Å; T423-V474 WeakPolarHBondContact CA-O 3.45Å; Q424-V474 PolarHBondContact N-O 3.39Å; Q424-V474 PolarHBondContact O-N 2.9Å; F426-V474 HydrophobicContact CD2-CB 3.99Å; F426-V474 HydrophobicContact CD2-CG2 3.73Å; F426-V474 HydrophobicContact CE2-CB 4.03Å; F426-V474 HydrophobicContact CE2-CG2 4.23Å; I438-V474 HydrophobicContact CD1-CG2 4.05Å; I472-V474 HydrophobicContact CG2-CG2 4.15Å; I472-V474 PolarHBondContact O-N 2.74Å; V474-F476 HydrophobicContact CG1-CD2 4.04Å; V474-F476 HydrophobicContact CG1-CE2 3.74Å; V474-V486 HydrophobicContact CG1-CG1 3.92Å; V474-S487 CarbonylContact C-O 3.48Å; V474-S487 VanDerWaalsContact CA-O 3.32Å; V474-S487 WeakPolarHBondContact CA-O 3.49Å; V474-A488 HydrophobicContact CG2-CB 4.18Å
475T95.8Very high91.5Very high10 Ų1038.7 Ų38.76%0.06122%0.22CC..EExtended strand (participates in β ladder)trans-123.2127.9-178.2-64.30000109.8K421 Q422 T423 V486 S487K421-T475 HydrophobicContact CD-CG2 4.19Å; K421-T475 HydrophobicContact CG-CG2 3.78Å; Q422-T475 CarbonylContact O-C 3.53Å; Q422-T475 WeakPolarHBondContact O-CA 3.23Å; T423-T475 WeakPolarHBondContact CG2-OG1 3.4Å; T423-T475 WeakPolarHBondContact OG1-CG2 3.38Å; T423-T475 PolarHBondContact OG1-OG1 3.35Å; T475-V486 CarbonylContact O-C 3.53Å; T475-V486 VanDerWaalsContact O-CA 3.27Å; T475-V486 WeakPolarHBondContact O-CA 3.32Å; T475-S487 PolarHBondContact N-O 3.48Å; T475-S487 PolarHBondContact O-N 2.83Å
476F95.8Very high91.5Very high0 Ų037.8 Ų37.80%021%0.213CC..EExtended strand (participates in β ladder)trans-105.9126.4171.5-79.7-130.5000107.7L399 G400 L401 L411 I412 K421 Q422 V440 V474 L484 V486L399-F476 HydrophobicContact CB-CD1 3.88Å; L399-F476 HydrophobicContact CB-CE1 3.99Å; G400-F476 WeakPolarHBondContact O-CZ 3.5Å; L401-F476 HydrophobicContact CB-CZ 4.27Å; L401-F476 HydrophobicContact CD2-CE2 4.13Å; L411-F476 HydrophobicContact CB-CD2 4.37Å; L411-F476 HydrophobicContact CB-CG 4.29Å; L411-F476 HydrophobicContact CD1-CE2 4.3Å; L411-F476 HydrophobicContact CD2-CD2 3.61Å; L411-F476 HydrophobicContact CD2-CE2 3.99Å; L411-F476 HydrophobicContact CD2-CG 4.28Å; L411-F476 HydrophobicContact CG-CD2 4.41Å; I412-F476 HydrophobicContact CD1-CB 3.66Å; I412-F476 HydrophobicContact CG1-CB 4.16Å; K421-F476 CarbonylContact C-O 3.58Å; K421-F476 WeakPolarHBondContact CA-O 3.38Å; Q422-F476 PolarHBondContact N-O 3.22Å; Q422-F476 PolarHBondContact O-N 3.01Å; V440-F476 HydrophobicContact CB-CZ 4.45Å; V440-F476 HydrophobicContact CG1-CE1 3.71Å; V440-F476 HydrophobicContact CG1-CZ 3.8Å; V440-F476 HydrophobicContact CG2-CZ 3.99Å; V474-F476 HydrophobicContact CG1-CD2 4.04Å; V474-F476 HydrophobicContact CG1-CE2 3.74Å; F476-L484 HydrophobicContact CB-CD1 4.19Å; F476-L484 HydrophobicContact CD1-CD1 3.81Å; F476-L484 HydrophobicContact CD1-CD2 4.34Å; F476-L484 HydrophobicContact CE1-CD2 4.36Å; F476-L484 HydrophobicContact CG-CD1 4.29Å; F476-V486 HydrophobicContact CD1-CG2 3.99Å; F476-V486 HydrophobicContact CD2-CG1 3.86Å; F476-V486 HydrophobicContact CD2-CG2 3.94Å; F476-V486 HydrophobicContact CE1-CG2 4.02Å; F476-V486 HydrophobicContact CE2-CB 4.48Å; F476-V486 HydrophobicContact CE2-CG1 3.6Å; F476-V486 HydrophobicContact CE2-CG2 3.98Å; F476-V486 HydrophobicContact CG-CG2 3.95Å; F476-V486 HydrophobicContact CZ-CG1 4.21Å; F476-V486 HydrophobicContact CZ-CG2 4.01Å
477D94.6Very high91.5Very high57 Ų5735.4 Ų35.431%0.30520%0.198SC..EExtended strand (participates in β ladder)trans-131.4111.2-176.9-174.42000108.9K421 N485K421-D477 HydrophobicContact CG-CB 4.24Å; D477-N485 HydrophobicContact CB-CB 4.28Å; D477-N485 PolarHBondContact N-O 2.73Å; D477-N485 PolarHBondContact O-N 2.79Å
478I91.7Very high91.7Very high4 Ų427.4 Ų27.42%0.02117%0.168CC..EExtended strand (participates in β ladder)trans-102.5124.1176.6-53.6172.5000108.2A395 L399 I412 I418 P419 T420 I483 L484A395-I478 HydrophobicContact CB-CD1 4.09Å; L399-I478 HydrophobicContact CD1-CD1 3.38Å; L399-I478 HydrophobicContact CD1-CG1 3.88Å; I412-I478 HydrophobicContact CB-CD1 4.45Å; I412-I478 HydrophobicContact CD1-CD1 3.54Å; I412-I478 HydrophobicContact CD1-CG1 3.61Å; I412-I478 HydrophobicContact CG2-CD1 3.89Å; I418-I478 HydrophobicContact CB-CG2 4.22Å; I418-I478 HydrophobicContact CD1-CG2 4.41Å; I418-I478 HydrophobicContact CG2-CB 4.11Å; I418-I478 HydrophobicContact CG2-CD1 4.08Å; I418-I478 HydrophobicContact CG2-CG2 3.77Å; P419-I478 CarbonylContact C-O 3.42Å; P419-I478 WeakPolarHBondContact CA-O 3.35Å; P419-I478 VanDerWaalsContact CB-O 3.28Å; P419-I478 WeakPolarHBondContact CB-O 3.39Å; T420-I478 HydrophobicContact CG2-CB 4.48Å; T420-I478 HydrophobicContact CG2-CD1 4.29Å; T420-I478 PolarHBondContact N-O 3.42Å; T420-I478 PolarHBondContact O-N 2.87Å; I478-I483 WeakPolarHBondContact CA-O 3.31Å; I478-L484 HydrophobicContact CG1-CD1 3.94Å
479D91.4Very high91.9Very high44 Ų4426.7 Ų26.724%0.23516%0.155CC..  trans-82.3-178.7178.383-8.8000113.1N481 G482 I483D479-N481 PolarHBondContact O-N 3.49Å; D479-N481 WeakPolarHBondContact OD1-CA 3.42Å; D479-N481 VanDerWaalsContact OD1-CB 3.31Å; D479-N481 WeakPolarHBondContact OD1-CB 3.33Å; D479-N481 PolarHBondContact OD1-N 2.74Å; D479-N481 PolarHBondContact OD2-ND2 3.22Å; D479-G482 PolarHBondContact O-N 2.96Å; D479-G482 VanDerWaalsContact O-N 3.08Å; D479-G482 PolarHBondContact OD1-N 3.04Å; D479-G482 VanDerWaalsContact OD1-N 3.11Å; D479-I483 PolarHBondContact N-O 2.79Å; D479-I483 VanDerWaalsContact N-O 3.12Å; D479-I483 WeakPolarHBondContact OD1-CB 3.49Å; D479-I483 PolarHBondContact OD1-N 2.9Å
480A90.7Very high91.8Very high43 Ų4322.9 Ų22.936%0.35513%0.131SC..THydrogen-bonded Turntrans-69.8-8.4178.800000114.5
481N87.8Confident91.8Very high19 Ų1927.5 Ų27.510%0.10215%0.15CC..THydrogen-bonded Turntrans-93.7-5.5172.7-58.7-65.7000112R153 R169 I170 D479 I483R153-N481 WeakPolarHBondContact CD-O 3.47Å; R153-N481 PolarHBondContact NH1-O 2.78Å; R169-N481 VanDerWaalsContact CA-OD1 3.31Å; R169-N481 WeakPolarHBondContact CA-OD1 3.26Å; I170-N481 HydrophobicContact CB-CB 4.25Å; I170-N481 PolarHBondContact N-OD1 3.34Å; D479-N481 PolarHBondContact O-N 3.49Å; D479-N481 WeakPolarHBondContact OD1-CA 3.42Å; D479-N481 VanDerWaalsContact OD1-CB 3.31Å; D479-N481 WeakPolarHBondContact OD1-CB 3.33Å; D479-N481 PolarHBondContact OD1-N 2.74Å; D479-N481 PolarHBondContact OD2-ND2 3.22Å; N481-I483 HydrophobicContact CB-CD1 3.95Å; N481-I483 HydrophobicContact CB-CG1 4Å
482G87Confident91.5Very high14 Ų1426.4 Ų26.414%0.14416%0.164CC..  trans78.720.1-171.600000113.7D479D479-G482 PolarHBondContact O-N 2.96Å; D479-G482 VanDerWaalsContact O-N 3.08Å; D479-G482 PolarHBondContact OD1-N 3.04Å; D479-G482 VanDerWaalsContact OD1-N 3.11Å
483I87.3Confident91.1Very high7 Ų729 Ų294%0.03618%0.18CC..  trans-88.4128.9179.5-63.9172.9000109.4D150 K157 I478 D479 N481D150-I483 VanDerWaalsContact OD1-CA 3.22Å; D150-I483 WeakPolarHBondContact OD1-CA 3.31Å; D150-I483 VanDerWaalsContact OD1-CG2 3.24Å; D150-I483 WeakPolarHBondContact OD1-CG2 3.49Å; K157-I483 HydrophobicContact CD-CD1 4.3Å; I478-I483 WeakPolarHBondContact CA-O 3.31Å; D479-I483 PolarHBondContact N-O 2.79Å; D479-I483 VanDerWaalsContact N-O 3.12Å; D479-I483 WeakPolarHBondContact OD1-CB 3.49Å; D479-I483 PolarHBondContact OD1-N 2.9Å; N481-I483 HydrophobicContact CB-CD1 3.95Å; N481-I483 HydrophobicContact CB-CG1 4Å
484L88.2Confident90.4Very high4 Ų428.8 Ų28.82%0.02119%0.193CC..EExtended strand (participates in β ladder)trans-93.4124.4-174.5176.766.4000112D150 L399 V440 L454 F476 I478 V486 I501D150-L484 HydrophobicContact CB-CB 4.49Å; D150-L484 PolarHBondContact OD1-N 2.87Å; L399-L484 HydrophobicContact CD1-CD1 3.88Å; L399-L484 HydrophobicContact CD1-CD2 4.04Å; L399-L484 HydrophobicContact CD1-CG 4.35Å; L399-L484 HydrophobicContact CD2-CD2 4.46Å; V440-L484 HydrophobicContact CG1-CD2 3.87Å; L454-L484 HydrophobicContact CD1-CD2 3.94Å; F476-L484 HydrophobicContact CB-CD1 4.19Å; F476-L484 HydrophobicContact CD1-CD1 3.81Å; F476-L484 HydrophobicContact CD1-CD2 4.34Å; F476-L484 HydrophobicContact CE1-CD2 4.36Å; F476-L484 HydrophobicContact CG-CD1 4.29Å; I478-L484 HydrophobicContact CG1-CD1 3.94Å; L484-V486 HydrophobicContact CD1-CG2 3.95Å; L484-V486 HydrophobicContact CD2-CG2 3.93Å; L484-V486 HydrophobicContact CG-CG2 3.82Å; L484-I501 HydrophobicContact CD2-CB 4.37Å; L484-I501 HydrophobicContact CD2-CG1 3.96Å; L484-I501 HydrophobicContact CG-CB 4.48Å; L484-I501 HydrophobicContact CG-CG1 4.18Å; L484-I501 PolarHBondContact O-N 2.79Å; L484-I501 VanDerWaalsContact O-N 3.15Å
485N90.1Very high89.6Confident47 Ų4733.8 Ų33.825%0.25122%0.215SC..EExtended strand (participates in β ladder)trans-111.5131.3169.9-60.3-86000109.8D477 T500D477-N485 HydrophobicContact CB-CB 4.28Å; D477-N485 PolarHBondContact N-O 2.73Å; D477-N485 PolarHBondContact O-N 2.79Å; N485-T500 WeakPolarHBondContact OD1-CB 3.42Å; N485-T500 VanDerWaalsContact OD1-CG2 3.24Å; N485-T500 WeakPolarHBondContact OD1-CG2 3.06Å; N485-T500 PolarHBondContact OD1-OG1 2.75Å
486V91.9Very high88.7Confident1 Ų139.9 Ų39.91%0.00624%0.243CC..EExtended strand (participates in β ladder)trans-127116.5179.8-177.40000111.7V440 F457 V474 T475 F476 L484 I499 I501V440-V486 HydrophobicContact CG1-CG2 4.25Å; V440-V486 HydrophobicContact CG2-CB 4.35Å; V440-V486 HydrophobicContact CG2-CG1 4.03Å; V440-V486 HydrophobicContact CG2-CG2 4.19Å; F457-V486 HydrophobicContact CE1-CB 4.34Å; F457-V486 HydrophobicContact CE1-CG1 3.87Å; F457-V486 HydrophobicContact CZ-CG1 4.01Å; V474-V486 HydrophobicContact CG1-CG1 3.92Å; T475-V486 CarbonylContact O-C 3.53Å; T475-V486 VanDerWaalsContact O-CA 3.27Å; T475-V486 WeakPolarHBondContact O-CA 3.32Å; F476-V486 HydrophobicContact CD1-CG2 3.99Å; F476-V486 HydrophobicContact CD2-CG1 3.86Å; F476-V486 HydrophobicContact CD2-CG2 3.94Å; F476-V486 HydrophobicContact CE1-CG2 4.02Å; F476-V486 HydrophobicContact CE2-CB 4.48Å; F476-V486 HydrophobicContact CE2-CG1 3.6Å; F476-V486 HydrophobicContact CE2-CG2 3.98Å; F476-V486 HydrophobicContact CG-CG2 3.95Å; F476-V486 HydrophobicContact CZ-CG1 4.21Å; F476-V486 HydrophobicContact CZ-CG2 4.01Å; L484-V486 HydrophobicContact CD1-CG2 3.95Å; L484-V486 HydrophobicContact CD2-CG2 3.93Å; L484-V486 HydrophobicContact CG-CG2 3.82Å; V486-I499 CarbonylContact C-O 3.53Å; V486-I499 VanDerWaalsContact C-O 3.25Å; V486-I499 WeakPolarHBondContact CA-O 3.41Å; V486-I499 HydrophobicContact CB-CG2 4.3Å; V486-I499 PolarHBondContact N-O 2.99Å; V486-I499 CarbonylContact O-C 3.59Å; V486-I499 WeakPolarHBondContact O-CG2 3.24Å; V486-I499 PolarHBondContact O-N 2.75Å; V486-I501 HydrophobicContact CB-CD1 4Å; V486-I501 HydrophobicContact CB-CG1 3.79Å; V486-I501 HydrophobicContact CG2-CD1 3.97Å; V486-I501 HydrophobicContact CG2-CG1 3.43Å; V486-I501 VanDerWaalsContact CG2-CG1 3.43Å
487S93.1Very high87.4Confident31 Ų3143 Ų4322%0.21726%0.26CS..EExtended strand (participates in β ladder)trans-113.7144.4176.160.60000111.9V474 T475V474-S487 CarbonylContact C-O 3.48Å; V474-S487 VanDerWaalsContact CA-O 3.32Å; V474-S487 WeakPolarHBondContact CA-O 3.49Å; T475-S487 PolarHBondContact N-O 3.48Å; T475-S487 PolarHBondContact O-N 2.83Å
488A92.3Very high86Confident0 Ų047.9 Ų47.90%028%0.278CS..EExtended strand (participates in β ladder)trans-122.1133.3171.200000110.7I438 F457 L459 I472 E473 V474 Q496 N497I438-A488 HydrophobicContact CG1-CB 4.07Å; F457-A488 HydrophobicContact CE2-CB 3.67Å; F457-A488 HydrophobicContact CZ-CB 3.88Å; L459-A488 HydrophobicContact CB-CB 4.47Å; L459-A488 HydrophobicContact CD2-CB 4.13Å; I472-A488 HydrophobicContact CG2-CB 4.16Å; E473-A488 CarbonylContact O-C 3.58Å; E473-A488 WeakPolarHBondContact O-CA 3.13Å; V474-A488 HydrophobicContact CG2-CB 4.18Å; A488-Q496 WeakPolarHBondContact O-CA 3.2Å; A488-N497 PolarHBondContact N-O 2.7Å; A488-N497 PolarHBondContact O-N 2.92Å
489V92.8Very high84.5Confident28 Ų2848.8 Ų48.817%0.1728%0.282CS..EExtended strand (participates in β ladder)trans-130.1127.1-178.3-171.40000110I472 E473 K491 Q496I472-V489 CarbonylContact C-O 3.57Å; I472-V489 WeakPolarHBondContact CA-O 3.29Å; E473-V489 PolarHBondContact N-O 3.07Å; E473-V489 PolarHBondContact O-N 3.47Å; V489-K491 PolarHBondContact O-N 3.15Å; V489-Q496 HydrophobicContact CB-CB 4.31Å; V489-Q496 HydrophobicContact CG1-CB 4.12Å; V489-Q496 HydrophobicContact CG2-CB 3.66Å
490D92Very high83Confident5 Ų549.3 Ų49.33%0.02729%0.287CS..EExtended strand (participates in β ladder)trans-77.9113.7166.3169.724.4000109.4L459 I472 G492 T493 G494 K495L459-D490 HydrophobicContact CD2-CB 4.34Å; I472-D490 HydrophobicContact CD1-CB 3.98Å; D490-G492 PolarHBondContact O-N 3.25Å; D490-G492 PolarHBondContact OD1-N 2.99Å; D490-T493 PolarHBondContact O-N 3.13Å; D490-T493 WeakPolarHBondContact OD2-CB 3.41Å; D490-T493 VanDerWaalsContact OD2-CG2 3.28Å; D490-T493 WeakPolarHBondContact OD2-CG2 3.47Å; D490-T493 PolarHBondContact OD2-N 3.35Å; D490-T493 PolarHBondContact OD2-OG1 3.31Å; D490-G494 WeakPolarHBondContact O-CA 3.31Å; D490-G494 PolarHBondContact O-N 3.25Å; D490-K495 PolarHBondContact N-O 3.27Å
491K91Very high81.3Confident109 Ų10947.3 Ų47.347%0.47427%0.271SS..THydrogen-bonded Turntrans-66.4-23-178-62.1-173.570.4158.10113.3Q471 E473 V489Q471-K491 HydrophobicContact CB-CB 4.17Å; Q471-K491 HydrophobicContact CB-CD 4.16Å; Q471-K491 HydrophobicContact CB-CG 4.32Å; Q471-K491 PolarHBondContact O-N 3.43Å; E473-K491 HydrophobicContact CB-CD 4.24Å; E473-K491 HydrophobicContact CB-CG 4.11Å; E473-K491 IonicContact OE2-NZ 3.23Å; E473-K491 PolarHBondContact OE2-NZ 2.91Å; V489-K491 PolarHBondContact O-N 3.15Å
492G85.3Confident79.5Confident71 Ų7148 Ų4873%0.73228%0.276SS*.THydrogen-bonded Turntrans-75.2-42.2-179.800000112.8D490D490-G492 PolarHBondContact O-N 3.25Å; D490-G492 PolarHBondContact OD1-N 2.99Å
493T85.4Confident77.7Confident57 Ų5748.7 Ų48.735%0.3528%0.276SS..THydrogen-bonded Turntrans-100.5-14.6-178.360.30000114.1P463 D490 K495P463-T493 HydrophobicContact CG-CG2 3.39Å; D490-T493 PolarHBondContact O-N 3.13Å; D490-T493 WeakPolarHBondContact OD2-CB 3.41Å; D490-T493 VanDerWaalsContact OD2-CG2 3.28Å; D490-T493 WeakPolarHBondContact OD2-CG2 3.47Å; D490-T493 PolarHBondContact OD2-N 3.35Å; D490-T493 PolarHBondContact OD2-OG1 3.31Å; T493-K495 PolarHBondContact O-N 3.33Å; T493-K495 WeakPolarHBondContact OG1-CB 3.39Å; T493-K495 WeakPolarHBondContact OG1-CG 3.41Å; T493-K495 PolarHBondContact OG1-N 2.88Å
494G79.9Confident75.9Confident53 Ų5353.8 Ų53.855%0.54630%0.303SS..  trans693.9-169.200000113.5D490 Q496D490-G494 WeakPolarHBondContact O-CA 3.31Å; D490-G494 PolarHBondContact O-N 3.25Å; G494-Q496 PolarHBondContact O-N 3.42Å
495K78.1Confident74.1Confident105 Ų10561.2 Ų61.246%0.45734%0.336SS..  trans-65.8120174.8-72.9-178.7-177.5176.10108.7G461 D490 T493G461-K495 PolarHBondContact O-NZ 3.23Å; D490-K495 PolarHBondContact N-O 3.27Å; T493-K495 PolarHBondContact O-N 3.33Å; T493-K495 WeakPolarHBondContact OG1-CB 3.39Å; T493-K495 WeakPolarHBondContact OG1-CG 3.41Å; T493-K495 PolarHBondContact OG1-N 2.88Å
496Q76.6Confident72.3Confident139 Ų13960 Ų6065%0.6533%0.333SS*.EExtended strand (participates in β ladder)trans-106.8139.2172.162.5-179.36.200109.7A488 V489 G494A488-Q496 WeakPolarHBondContact O-CA 3.2Å; V489-Q496 HydrophobicContact CB-CB 4.31Å; V489-Q496 HydrophobicContact CG1-CB 4.12Å; V489-Q496 HydrophobicContact CG2-CB 3.66Å; G494-Q496 PolarHBondContact O-N 3.42Å
497N68.9Low70.9Confident66 Ų6663.4 Ų63.435%0.35335%0.346SS..EExtended strand (participates in β ladder)trans-120.9126.3157.7-153-2.7000107.1E458 L459 A488E458-N497 PolarHBondContact O-ND2 3.37Å; L459-N497 HydrophobicContact CB-CB 4.4Å; L459-N497 HydrophobicContact CD1-CB 3.76Å; A488-N497 PolarHBondContact N-O 2.7Å; A488-N497 PolarHBondContact O-N 2.92Å
498K65.1Low69.4Low159 Ų15962.2 Ų62.269%0.69134%0.337SS*.EExtended strand (participates in β ladder)trans-112.8137.1176.966.5176.3-175.4173.30108.5
499I59.4Low68.4Low22 Ų2264.3 Ų64.311%0.11335%0.352CS..EExtended strand (participates in β ladder)trans-114.4123.4160.1-162.2151.4000104.7F457 V486 I501F457-I499 HydrophobicContact CB-CB 4.08Å; F457-I499 HydrophobicContact CB-CD1 3.66Å; F457-I499 HydrophobicContact CB-CG1 4.45Å; F457-I499 HydrophobicContact CB-CG2 4.24Å; F457-I499 HydrophobicContact CD1-CB 3.88Å; F457-I499 HydrophobicContact CD1-CD1 4.42Å; F457-I499 HydrophobicContact CD1-CG2 3.1Å; F457-I499 HydrophobicContact CD2-CB 4.36Å; F457-I499 HydrophobicContact CD2-CG2 4.27Å; F457-I499 HydrophobicContact CE1-CB 4.33Å; F457-I499 HydrophobicContact CE1-CG2 3.28Å; F457-I499 HydrophobicContact CE2-CG2 4.41Å; F457-I499 HydrophobicContact CG-CB 3.87Å; F457-I499 HydrophobicContact CG-CD1 4.31Å; F457-I499 HydrophobicContact CG-CG2 3.64Å; F457-I499 HydrophobicContact CZ-CG2 3.96Å; V486-I499 CarbonylContact C-O 3.53Å; V486-I499 VanDerWaalsContact C-O 3.25Å; V486-I499 WeakPolarHBondContact CA-O 3.41Å; V486-I499 HydrophobicContact CB-CG2 4.3Å; V486-I499 PolarHBondContact N-O 2.99Å; V486-I499 CarbonylContact O-C 3.59Å; V486-I499 WeakPolarHBondContact O-CG2 3.24Å; V486-I499 PolarHBondContact O-N 2.75Å; I499-I501 HydrophobicContact CG2-CD1 3.68Å; I499-I501 HydrophobicContact CG2-CG1 4.26Å; I499-I501 PolarHBondContact O-N 2.83Å
500T59.3Low67.5Low55 Ų5569.7 Ų69.734%0.33737%0.373SS..EExtended strand (participates in β ladder)trans-58.8130.7143.2-67.10000103.5N485 T502N485-T500 WeakPolarHBondContact OD1-CB 3.42Å; N485-T500 VanDerWaalsContact OD1-CG2 3.24Å; N485-T500 WeakPolarHBondContact OD1-CG2 3.06Å; N485-T500 PolarHBondContact OD1-OG1 2.75Å; T500-T502 HydrophobicContact CG2-CG2 4.06Å; T500-T502 WeakPolarHBondContact O-CG2 3.3Å; T500-T502 PolarHBondContact O-N 3.4Å; T500-T502 PolarHBondContact O-OG1 3.47Å
501I56.7Low66.9Low2 Ų275.6 Ų75.61%0.0140%0.401CS..  trans-62.982.3178.9-69.1-74.7000107D150 V440 L454 L484 V486 I499 N503D150-I501 VanDerWaalsContact OD2-O 3.05Å; V440-I501 HydrophobicContact CB-CD1 3.57Å; V440-I501 HydrophobicContact CB-CG1 4.38Å; V440-I501 HydrophobicContact CG1-CD1 3.89Å; V440-I501 HydrophobicContact CG1-CG1 4.16Å; V440-I501 HydrophobicContact CG2-CD1 3.49Å; V440-I501 VanDerWaalsContact CG2-CD1 3.49Å; V440-I501 HydrophobicContact CG2-CG1 4.42Å; L454-I501 HydrophobicContact CB-CG2 3.79Å; L484-I501 HydrophobicContact CD2-CB 4.37Å; L484-I501 HydrophobicContact CD2-CG1 3.96Å; L484-I501 HydrophobicContact CG-CB 4.48Å; L484-I501 HydrophobicContact CG-CG1 4.18Å; L484-I501 PolarHBondContact O-N 2.79Å; L484-I501 VanDerWaalsContact O-N 3.15Å; V486-I501 HydrophobicContact CB-CD1 4Å; V486-I501 HydrophobicContact CB-CG1 3.79Å; V486-I501 HydrophobicContact CG2-CD1 3.97Å; V486-I501 HydrophobicContact CG2-CG1 3.43Å; V486-I501 VanDerWaalsContact CG2-CG1 3.43Å; I499-I501 HydrophobicContact CG2-CD1 3.68Å; I499-I501 HydrophobicContact CG2-CG1 4.26Å; I499-I501 PolarHBondContact O-N 2.83Å; I501-N503 PolarHBondContact O-N 3.09Å
502T49.1Very low66.2Low34 Ų3472.3 Ų72.321%0.20939%0.387CS..  trans-85.2108175.249.10000100.5T500 D504T500-T502 HydrophobicContact CG2-CG2 4.06Å; T500-T502 WeakPolarHBondContact O-CG2 3.3Å; T500-T502 PolarHBondContact O-N 3.4Å; T500-T502 PolarHBondContact O-OG1 3.47Å; T502-D504 WeakPolarHBondContact CB-OD1 3.41Å; T502-D504 PolarHBondContact O-N 3.39Å; T502-D504 PolarHBondContact OG1-OD1 2.81Å
503N49.9Very low65.5Low27 Ų2770.3 Ų70.314%0.14436%0.359CS..  trans-63.777.6161.4-164.1-1.9000106.5I501 K505 G506 R507I501-N503 PolarHBondContact O-N 3.09Å; N503-K505 PolarHBondContact O-N 3.39Å; N503-G506 PolarHBondContact O-N 2.88Å; N503-R507 WeakPolarHBondContact O-CB 3.2Å; N503-R507 PolarHBondContact O-N 2.7Å; N503-R507 VanDerWaalsContact O-N 3.1Å
504D48.8Very low65.2Low114 Ų11472.5 Ų72.561%0.6137%0.366SS*.THydrogen-bonded Turntrans-56.3-29.1-176.2-74.1-15.1000109.8T502 G506T502-D504 WeakPolarHBondContact CB-OD1 3.41Å; T502-D504 PolarHBondContact O-N 3.39Å; T502-D504 PolarHBondContact OG1-OD1 2.81Å; D504-G506 PolarHBondContact O-N 3.41Å
505K50Low65.7Low161 Ų16176 Ų7670%0.736%0.362SS*.THydrogen-bonded Turntrans-82.459.7173.4-62.9-169.9177.8-171.30111.5N503N503-K505 PolarHBondContact O-N 3.39Å
506G52Low65.9Low20 Ų2071.1 Ų71.121%0.20634%0.341CS..THydrogen-bonded Turntrans164.3-36.8174.400000112.7N503 D504N503-G506 PolarHBondContact O-N 2.88Å; D504-G506 PolarHBondContact O-N 3.41Å
507R63.7Low66.1Low73 Ų7366.6 Ų66.628%0.27532%0.323SS..PPolyproline II helixtrans-67.5147.4-176.3-163178.6170.8155.70.5112.7K98 D158 N503K98-R507 VanDerWaalsContact CE-O 3.29Å; K98-R507 WeakPolarHBondContact CE-O 3.2Å; K98-R507 PolarHBondContact NZ-O 3.15Å; D158-R507 IonicContact OD2-NE 3.85Å; N503-R507 WeakPolarHBondContact O-CB 3.2Å; N503-R507 PolarHBondContact O-N 2.7Å; N503-R507 VanDerWaalsContact O-N 3.1Å
508L61.8Low66.9Low6 Ų666.1 Ų66.13%0.03133%0.328CS..PPolyproline II helixtrans-71.9130.4167.8-57.7174.2000109.9E115 D158 I162 E512 I513 M516E115-L508 HydrophobicContact CB-CD1 3.96Å; E115-L508 HydrophobicContact CG-CD1 4.19Å; D158-L508 HydrophobicContact CB-CD1 4.41Å; I162-L508 HydrophobicContact CD1-CD1 3.8Å; L508-E512 WeakPolarHBondContact CA-OE2 3.33Å; L508-E512 HydrophobicContact CB-CB 4.21Å; L508-E512 HydrophobicContact CD2-CB 4.37Å; L508-I513 HydrophobicContact CB-CD1 4.21Å; L508-I513 HydrophobicContact CB-CG1 3.57Å; L508-I513 HydrophobicContact CD1-CG1 4.16Å; L508-M516 HydrophobicContact CD1-CE 4.17Å; L508-M516 HydrophobicContact CD1-SD 3.36Å; L508-M516 WeakPolarHBondContact CD1-SD 3.49Å; L508-M516 HydrophobicContact CD2-CE 3.3Å; L508-M516 HydrophobicContact CD2-SD 3.69Å; L508-M516 HydrophobicContact CG-CE 4.34Å; L508-M516 HydrophobicContact CG-SD 4.1Å
509S71.4Confident67.9Low44 Ų4460.8 Ų60.831%0.30831%0.307SS..PPolyproline II helixtrans-64.7162168.490.90000109.7E511 E512 I513S509-E511 VanDerWaalsContact CB-OE2 3.25Å; S509-E511 WeakPolarHBondContact CB-OE2 3.47Å; S509-E511 PolarHBondContact O-N 2.82Å; S509-E511 PolarHBondContact OG-N 3.39Å; S509-E511 PolarHBondContact OG-OE2 3.12Å; S509-E512 PolarHBondContact N-OE2 2.69Å; S509-E512 PolarHBondContact O-N 2.99Å; S509-E512 PolarHBondContact OG-N 3.38Å; S509-I513 WeakPolarHBondContact O-CG1 3.48Å; S509-I513 PolarHBondContact O-N 3.31Å
510K72.8Confident68.9Low142 Ų14260.7 Ų60.762%0.61731%0.309SS*.Hα-helixtrans-58.4-38.6176.1-166.5-175.7-179-109.90111.1I513 E514K510-I513 PolarHBondContact O-N 3.42Å; K510-E514 WeakPolarHBondContact CE-OE1 3.35Å; K510-E514 IonicContact NZ-OE1 2.77Å; K510-E514 PolarHBondContact NZ-OE1 3.03Å; K510-E514 WeakPolarHBondContact O-CB 3.34Å; K510-E514 VanDerWaalsContact O-CG 3.29Å; K510-E514 WeakPolarHBondContact O-CG 3.4Å; K510-E514 PolarHBondContact O-N 2.83Å
511E79.2Confident69.9Low129 Ų12962.8 Ų62.860%0.60332%0.318SS*.Hα-helixtrans-67.4-36.6176.2-54.173.1-158.500111.8S509 R515S509-E511 VanDerWaalsContact CB-OE2 3.25Å; S509-E511 WeakPolarHBondContact CB-OE2 3.47Å; S509-E511 PolarHBondContact O-N 2.82Å; S509-E511 PolarHBondContact OG-N 3.39Å; S509-E511 PolarHBondContact OG-OE2 3.12Å; E511-R515 VanDerWaalsContact O-CB 3.29Å; E511-R515 WeakPolarHBondContact O-CB 3.46Å; E511-R515 PolarHBondContact O-N 2.82Å
512E76.3Confident71.3Confident40 Ų4068 Ų6819%0.18734%0.341CS..Hα-helixtrans-67.8-41.2172.9-70.8176.6121.900111.7K98 L508 S509 R515 M516K98-E512 IonicContact NZ-OE1 2.73Å; K98-E512 PolarHBondContact NZ-OE1 2.89Å; K98-E512 VanDerWaalsContact NZ-OE1 3.12Å; K98-E512 IonicContact NZ-OE2 3.91Å; K98-E512 PolarHBondContact NZ-OE2 3.11Å; L508-E512 WeakPolarHBondContact CA-OE2 3.33Å; L508-E512 HydrophobicContact CB-CB 4.21Å; L508-E512 HydrophobicContact CD2-CB 4.37Å; S509-E512 PolarHBondContact N-OE2 2.69Å; S509-E512 PolarHBondContact O-N 2.99Å; S509-E512 PolarHBondContact OG-N 3.38Å; E512-R515 PolarHBondContact O-N 3.21Å; E512-M516 WeakPolarHBondContact O-CB 3.49Å; E512-M516 WeakPolarHBondContact O-CG 3.34Å; E512-M516 PolarHBondContact O-N 3.27Å
513I70.8Confident73Confident29 Ų2967.4 Ų67.415%0.14934%0.335CS..Hα-helixtrans-62.1-48.6174.1-65.1171.6000109.6D158 I162 L508 S509 K510 R515 M516 V517D158-I513 HydrophobicContact CB-CD1 4.27Å; I162-I513 HydrophobicContact CG1-CG2 4.48Å; L508-I513 HydrophobicContact CB-CD1 4.21Å; L508-I513 HydrophobicContact CB-CG1 3.57Å; L508-I513 HydrophobicContact CD1-CG1 4.16Å; S509-I513 WeakPolarHBondContact O-CG1 3.48Å; S509-I513 PolarHBondContact O-N 3.31Å; K510-I513 PolarHBondContact O-N 3.42Å; I513-R515 VanDerWaalsContact C-N 3.32Å; I513-R515 PolarHBondContact O-N 2.74Å; I513-M516 CarbonylContact O-C 3.29Å; I513-M516 PolarHBondContact O-N 2.9Å; I513-M516 VanDerWaalsContact O-N 3.09Å; I513-V517 HydrophobicContact CG2-CG2 4.2Å; I513-V517 WeakPolarHBondContact O-CB 3.31Å; I513-V517 VanDerWaalsContact O-CG2 3.25Å; I513-V517 WeakPolarHBondContact O-CG2 3.16Å; I513-V517 PolarHBondContact O-N 2.82Å
514E80.2Confident74.4Confident103 Ų10369.7 Ų69.748%0.48134%0.344SS..Hα-helixtrans-60.1-41.1177.6-75173.3-172.500111.8K510 V517 A518K510-E514 WeakPolarHBondContact CE-OE1 3.35Å; K510-E514 IonicContact NZ-OE1 2.77Å; K510-E514 PolarHBondContact NZ-OE1 3.03Å; K510-E514 WeakPolarHBondContact O-CB 3.34Å; K510-E514 VanDerWaalsContact O-CG 3.29Å; K510-E514 WeakPolarHBondContact O-CG 3.4Å; K510-E514 PolarHBondContact O-N 2.83Å; E514-V517 PolarHBondContact O-N 2.8Å; E514-A518 WeakPolarHBondContact O-CB 3.35Å; E514-A518 PolarHBondContact O-N 3.31Å
515R88.5Confident76.2Confident127 Ų12766.9 Ų66.948%0.47934%0.336SS..Hα-helixtrans-62.8-43.7172.3-177.3-173.365-157.4-8.9111.4E511 E512 I513 A518 D519E511-R515 VanDerWaalsContact O-CB 3.29Å; E511-R515 WeakPolarHBondContact O-CB 3.46Å; E511-R515 PolarHBondContact O-N 2.82Å; E512-R515 PolarHBondContact O-N 3.21Å; I513-R515 VanDerWaalsContact C-N 3.32Å; I513-R515 PolarHBondContact O-N 2.74Å; R515-A518 CarbonylContact O-C 3.59Å; R515-A518 WeakPolarHBondContact O-CB 3.36Å; R515-A518 PolarHBondContact O-N 3.28Å; R515-D519 WeakPolarHBondContact O-CB 3.42Å; R515-D519 PolarHBondContact O-N 3.01Å
516M84Confident77.9Confident2 Ų261.5 Ų61.51%0.0131%0.314CS..Hα-helixtrans-68.7-34.5179.7-74174-175.500112.5E116 I162 L508 E512 I513 D519 A520E116-M516 HydrophobicContact CG-CB 4.34Å; E116-M516 HydrophobicContact CG-CE 4.06Å; E116-M516 HydrophobicContact CG-CG 3.79Å; E116-M516 HydrophobicContact CG-SD 3.56Å; E116-M516 VanDerWaalsContact CG-SD 3.56Å; E116-M516 WeakPolarHBondContact OE2-CE 3.31Å; I162-M516 HydrophobicContact CD1-CB 3.94Å; I162-M516 HydrophobicContact CD1-CG 4.49Å; I162-M516 HydrophobicContact CD1-SD 3.8Å; I162-M516 HydrophobicContact CG1-CB 3.92Å; I162-M516 HydrophobicContact CG2-CB 4.18Å; L508-M516 HydrophobicContact CD1-CE 4.17Å; L508-M516 HydrophobicContact CD1-SD 3.36Å; L508-M516 WeakPolarHBondContact CD1-SD 3.49Å; L508-M516 HydrophobicContact CD2-CE 3.3Å; L508-M516 HydrophobicContact CD2-SD 3.69Å; L508-M516 HydrophobicContact CG-CE 4.34Å; L508-M516 HydrophobicContact CG-SD 4.1Å; E512-M516 WeakPolarHBondContact O-CB 3.49Å; E512-M516 WeakPolarHBondContact O-CG 3.34Å; E512-M516 PolarHBondContact O-N 3.27Å; I513-M516 CarbonylContact O-C 3.29Å; I513-M516 PolarHBondContact O-N 2.9Å; I513-M516 VanDerWaalsContact O-N 3.09Å; M516-D519 PolarHBondContact O-N 2.95Å; M516-A520 WeakPolarHBondContact O-CB 3.29Å; M516-A520 PolarHBondContact O-N 3.2Å
517V79.3Confident79.3Confident44 Ų4462.3 Ų62.327%0.26731%0.313SS..Hα-helixtrans-62.6-47.1169.9170.40000109.3I513 E514 D519 A520 D521I513-V517 HydrophobicContact CG2-CG2 4.2Å; I513-V517 WeakPolarHBondContact O-CB 3.31Å; I513-V517 VanDerWaalsContact O-CG2 3.25Å; I513-V517 WeakPolarHBondContact O-CG2 3.16Å; I513-V517 PolarHBondContact O-N 2.82Å; E514-V517 PolarHBondContact O-N 2.8Å; V517-D519 VanDerWaalsContact C-N 3.35Å; V517-D519 PolarHBondContact O-N 3.47Å; V517-A520 PolarHBondContact O-N 3.35Å; V517-D521 WeakPolarHBondContact O-CB 3.15Å; V517-D521 PolarHBondContact O-N 2.86Å
518A85.8Confident80.4Confident56 Ų5662.6 Ų62.646%0.46332%0.318SS..Hα-helixtrans-63.3-39.1176.500000112.7E514 R515 K522E514-A518 WeakPolarHBondContact O-CB 3.35Å; E514-A518 PolarHBondContact O-N 3.31Å; R515-A518 CarbonylContact O-C 3.59Å; R515-A518 WeakPolarHBondContact O-CB 3.36Å; R515-A518 PolarHBondContact O-N 3.28Å; A518-K522 VanDerWaalsContact O-CB 3.3Å; A518-K522 WeakPolarHBondContact O-CB 3.29Å; A518-K522 PolarHBondContact O-N 2.72Å
519D85.8Confident81.6Confident47 Ų4768 Ų6825%0.25134%0.341SS..Hα-helixtrans-67.3-40.1174.4-74-26.5000110.9R515 M516 V517 K522 Y523R515-D519 WeakPolarHBondContact O-CB 3.42Å; R515-D519 PolarHBondContact O-N 3.01Å; M516-D519 PolarHBondContact O-N 2.95Å; V517-D519 VanDerWaalsContact C-N 3.35Å; V517-D519 PolarHBondContact O-N 3.47Å; D519-K522 WeakPolarHBondContact O-CB 3.33Å; D519-K522 PolarHBondContact O-N 2.92Å; D519-Y523 HydrophobicContact CB-CD2 4.46Å; D519-Y523 HydrophobicContact CB-CE2 4.06Å; D519-Y523 WeakPolarHBondContact O-CD2 3.4Å; D519-Y523 VanDerWaalsContact O-CG 3.26Å; D519-Y523 PolarHBondContact O-N 3.42Å
520A80.5Confident82.2Confident19 Ų1967.2 Ų67.216%0.15733%0.332CS..Hα-helixtrans-63.1-44.5175.100000111.5I162 M516 V517 Y523 K524I162-A520 HydrophobicContact CG2-CB 3.96Å; M516-A520 WeakPolarHBondContact O-CB 3.29Å; M516-A520 PolarHBondContact O-N 3.2Å; V517-A520 PolarHBondContact O-N 3.35Å; A520-Y523 PolarHBondContact O-N 2.79Å; A520-K524 VanDerWaalsContact O-CB 3.29Å; A520-K524 WeakPolarHBondContact O-CB 3.36Å; A520-K524 PolarHBondContact O-N 2.87Å
521D80.4Confident82.6Confident99 Ų9967.7 Ų67.753%0.52933%0.33SS..Hα-helixtrans-63-42174.2-77.4-25.8000111.6V517 K524 A525V517-D521 WeakPolarHBondContact O-CB 3.15Å; V517-D521 PolarHBondContact O-N 2.86Å; D521-K524 PolarHBondContact O-N 2.91Å; D521-A525 PolarHBondContact O-N 3.33Å
522K87.1Confident83.1Confident112 Ų11264.6 Ų64.649%0.48732%0.318SS..Hα-helixtrans-59.8-50.7174176.8-172.9172.1-172.60111A518 D519 K524 A525 E526A518-K522 VanDerWaalsContact O-CB 3.3Å; A518-K522 WeakPolarHBondContact O-CB 3.29Å; A518-K522 PolarHBondContact O-N 2.72Å; D519-K522 WeakPolarHBondContact O-CB 3.33Å; D519-K522 PolarHBondContact O-N 2.92Å; K522-K524 VanDerWaalsContact C-N 3.31Å; K522-K524 PolarHBondContact O-N 3.07Å; K522-A525 PolarHBondContact O-N 3.06Å; K522-E526 VanDerWaalsContact CE-OE1 3.22Å; K522-E526 WeakPolarHBondContact CE-OE1 3.28Å; K522-E526 WeakPolarHBondContact O-CG 3.3Å; K522-E526 PolarHBondContact O-N 3.47Å
523Y84Confident83.7Confident22 Ų2264.1 Ų64.19%0.08631%0.314CS..Hα-helixtrans-66.9-35.3-179.5-64.3-52.4000112Y105 F112 D519 A520 A525 E526 D527Y105-Y523 HydrophobicContact CD1-CE1 4.37Å; Y105-Y523 HydrophobicContact CE1-CD1 4.13Å; Y105-Y523 AromaticContact CE1-CE1 3.96Å; Y105-Y523 HydrophobicContact CE1-CE1 3.96Å; F112-Y523 AromaticContact CE1-CE2 3.87Å; F112-Y523 HydrophobicContact CE1-CE2 3.87Å; F112-Y523 HydrophobicContact CZ-CE2 4.42Å; D519-Y523 HydrophobicContact CB-CD2 4.46Å; D519-Y523 HydrophobicContact CB-CE2 4.06Å; D519-Y523 WeakPolarHBondContact O-CD2 3.4Å; D519-Y523 VanDerWaalsContact O-CG 3.26Å; D519-Y523 PolarHBondContact O-N 3.42Å; A520-Y523 PolarHBondContact O-N 2.79Å; Y523-A525 VanDerWaalsContact C-N 3.35Å; Y523-A525 PolarHBondContact O-N 3.23Å; Y523-E526 WeakPolarHBondContact O-CB 3.32Å; Y523-E526 PolarHBondContact O-N 3.11Å; Y523-D527 PolarHBondContact O-N 3.28Å
524K80.8Confident84.4Confident75 Ų7565 Ų6533%0.32632%0.321SS..Hα-helixtrans-58.4-47.1171.9-178.6-177.4177.4-178.80111.1A520 D521 K522 E526 D527 E528A520-K524 VanDerWaalsContact O-CB 3.29Å; A520-K524 WeakPolarHBondContact O-CB 3.36Å; A520-K524 PolarHBondContact O-N 2.87Å; D521-K524 PolarHBondContact O-N 2.91Å; K522-K524 VanDerWaalsContact C-N 3.31Å; K522-K524 PolarHBondContact O-N 3.07Å; K524-E526 VanDerWaalsContact C-N 3.29Å; K524-E526 PolarHBondContact O-N 3.2Å; K524-D527 PolarHBondContact O-N 3.34Å; K524-E528 VanDerWaalsContact CE-OE1 3.29Å; K524-E528 WeakPolarHBondContact CE-OE1 3.24Å; K524-E528 WeakPolarHBondContact O-CB 3.48Å; K524-E528 WeakPolarHBondContact O-CG 3.15Å; K524-E528 PolarHBondContact O-N 2.94Å
525A86.2Confident84.7Confident54 Ų5463.3 Ų63.345%0.44632%0.32SS..Hα-helixtrans-62.9-35.5176.200000112.4D521 K522 Y523 K529D521-A525 PolarHBondContact O-N 3.33Å; K522-A525 PolarHBondContact O-N 3.06Å; Y523-A525 VanDerWaalsContact C-N 3.35Å; Y523-A525 PolarHBondContact O-N 3.23Å; A525-K529 WeakPolarHBondContact O-CB 3.22Å; A525-K529 PolarHBondContact O-N 3.37Å
526E84.9Confident84.9Confident49 Ų4957.7 Ų57.723%0.22930%0.301CS..Hα-helixtrans-64.9-44.1172.4-70.5-179.5-164.300112.2Y105 K106 K522 Y523 K524 E528 K529 Q530Y105-E526 PolarHBondContact OH-OE2 3.23Å; K106-E526 IonicContact NZ-OE2 3.59Å; K106-E526 PolarHBondContact NZ-OE2 3.35Å; K522-E526 VanDerWaalsContact CE-OE1 3.22Å; K522-E526 WeakPolarHBondContact CE-OE1 3.28Å; K522-E526 WeakPolarHBondContact O-CG 3.3Å; K522-E526 PolarHBondContact O-N 3.47Å; Y523-E526 WeakPolarHBondContact O-CB 3.32Å; Y523-E526 PolarHBondContact O-N 3.11Å; K524-E526 VanDerWaalsContact C-N 3.29Å; K524-E526 PolarHBondContact O-N 3.2Å; E526-E528 VanDerWaalsContact C-N 3.34Å; E526-K529 PolarHBondContact O-N 3.02Å; E526-Q530 WeakPolarHBondContact O-CB 3.27Å; E526-Q530 PolarHBondContact O-N 3Å
527D82.7Confident85.2Confident36 Ų3659.1 Ų59.119%0.19331%0.307CS..Hα-helixtrans-65.3-39.1177.8-63.3-22.4000110.8R47 Y523 K524 Q530 R531R47-D527 IonicContact CZ-OD2 3.49Å; R47-D527 IonicContact NE-OD1 3.59Å; R47-D527 IonicContact NE-OD2 3.37Å; R47-D527 PolarHBondContact NE-OD2 2.91Å; R47-D527 IonicContact NH2-OD2 2.7Å; R47-D527 PolarHBondContact NH2-OD2 3.31Å; Y523-D527 PolarHBondContact O-N 3.28Å; K524-D527 PolarHBondContact O-N 3.34Å; D527-Q530 PolarHBondContact O-N 3.15Å; D527-R531 WeakPolarHBondContact O-CB 3.19Å; D527-R531 PolarHBondContact O-N 2.73Å
528E84.9Confident85.7Confident80 Ų8060.5 Ų60.537%0.37431%0.314SS..Hα-helixtrans-63.6-44.7172.9-73.7178.6175.300111.8K524 E526 Q530 R531 D532K524-E528 VanDerWaalsContact CE-OE1 3.29Å; K524-E528 WeakPolarHBondContact CE-OE1 3.24Å; K524-E528 WeakPolarHBondContact O-CB 3.48Å; K524-E528 WeakPolarHBondContact O-CG 3.15Å; K524-E528 PolarHBondContact O-N 2.94Å; E526-E528 VanDerWaalsContact C-N 3.34Å; E528-Q530 VanDerWaalsContact C-N 3.27Å; E528-Q530 PolarHBondContact O-N 3.38Å; E528-R531 PolarHBondContact O-N 2.94Å; E528-D532 WeakPolarHBondContact O-CB 3.16Å; E528-D532 PolarHBondContact O-N 3.14Å
529K88Confident86Confident120 Ų12060 Ų6052%0.52231%0.307SS..Hα-helixtrans-58.9-42.3174.6-172.6-167.9175.9-154.30110.9A525 E526 D532 R533 E585A525-K529 WeakPolarHBondContact O-CB 3.22Å; A525-K529 PolarHBondContact O-N 3.37Å; E526-K529 PolarHBondContact O-N 3.02Å; K529-D532 PolarHBondContact O-N 3.33Å; K529-R533 WeakPolarHBondContact O-CB 3.44Å; K529-R533 PolarHBondContact O-N 3.43Å; K529-E585 WeakPolarHBondContact CE-OE2 3.46Å; K529-E585 IonicContact NZ-OE1 2.83Å; K529-E585 IonicContact NZ-OE2 3.45Å; K529-E585 PolarHBondContact NZ-OE2 3.14Å
530Q83.8Confident86.4Confident26 Ų2657.8 Ų57.812%0.12130%0.295CS..Hα-helixtrans-66.1-43.9178.2177.668.7-9.900111.7E46 E526 D527 E528 D532 R533 V534E46-Q530 HydrophobicContact CB-CG 3.92Å; E46-Q530 WeakPolarHBondContact OE2-CG 3.46Å; E46-Q530 PolarHBondContact OE2-NE2 2.67Å; E526-Q530 WeakPolarHBondContact O-CB 3.27Å; E526-Q530 PolarHBondContact O-N 3Å; D527-Q530 PolarHBondContact O-N 3.15Å; E528-Q530 VanDerWaalsContact C-N 3.27Å; E528-Q530 PolarHBondContact O-N 3.38Å; Q530-D532 VanDerWaalsContact C-N 3.32Å; Q530-D532 PolarHBondContact O-N 2.92Å; Q530-R533 WeakPolarHBondContact O-CB 3.34Å; Q530-R533 PolarHBondContact O-N 2.85Å; Q530-V534 WeakPolarHBondContact O-CG2 3.49Å; Q530-V534 PolarHBondContact O-N 2.89Å
531R81.9Confident87Confident152 Ų15260 Ų6057%0.57430%0.302SS*.Hα-helixtrans-58.8-44.9174.8-176.2-17866.6-162.3-3.4111.4D527 E528 R533 V534 S535D527-R531 WeakPolarHBondContact O-CB 3.19Å; D527-R531 PolarHBondContact O-N 2.73Å; E528-R531 PolarHBondContact O-N 2.94Å; R531-R533 VanDerWaalsContact C-N 3.34Å; R531-R533 PolarHBondContact O-N 3.47Å; R531-V534 PolarHBondContact O-N 3.17Å; R531-S535 WeakPolarHBondContact O-CB 3.35Å; R531-S535 PolarHBondContact O-N 3.33Å
532D88.8Confident87.6Confident64 Ų6458.6 Ų58.634%0.34230%0.3SS..Hα-helixtrans-61.2-41.6176.2-90.623.1000112.4E528 K529 Q530 S535 A536 K586E528-D532 WeakPolarHBondContact O-CB 3.16Å; E528-D532 PolarHBondContact O-N 3.14Å; K529-D532 PolarHBondContact O-N 3.33Å; Q530-D532 VanDerWaalsContact C-N 3.32Å; Q530-D532 PolarHBondContact O-N 2.92Å; D532-S535 PolarHBondContact O-N 3.2Å; D532-A536 WeakPolarHBondContact O-CB 3.34Å; D532-A536 PolarHBondContact O-N 2.93Å; D532-K586 HydrophobicContact CB-CD 4.16Å; D532-K586 IonicContact OD2-NZ 3.22Å; D532-K586 PolarHBondContact OD2-NZ 2.9Å
533R89.3Confident87.9Confident30 Ų3055.7 Ų55.711%0.11329%0.286CS..Hα-helixtrans-61.9-46.8175.5-175.7-167.677.678.24.6111.4K529 Q530 R531 S535 A536 K537 Q582 A584 K586 Y589K529-R533 WeakPolarHBondContact O-CB 3.44Å; K529-R533 PolarHBondContact O-N 3.43Å; Q530-R533 WeakPolarHBondContact O-CB 3.34Å; Q530-R533 PolarHBondContact O-N 2.85Å; R531-R533 VanDerWaalsContact C-N 3.34Å; R531-R533 PolarHBondContact O-N 3.47Å; R533-S535 VanDerWaalsContact C-N 3.33Å; R533-A536 PolarHBondContact O-N 3.2Å; R533-K537 PolarHBondContact O-N 3.42Å; R533-Q582 PolarHBondContact NH1-O 2.85Å; R533-A584 WeakPolarHBondContact CD-O 3.39Å; R533-A584 WeakPolarHBondContact CG-O 3.26Å; R533-A584 PolarHBondContact NH1-O 2.86Å; R533-K586 HydrophobicContact CB-CB 4.45Å; R533-Y589 HydrophobicContact CG-CD2 4.33Å; R533-Y589 HydrophobicContact CG-CE2 3.97Å
534V84.9Confident88.5Confident49 Ų4954.7 Ų54.730%0.29728%0.282SS..Hα-helixtrans-63.6-40.4176.6173.50000110.8Q530 R531 A536 K537 N538Q530-V534 WeakPolarHBondContact O-CG2 3.49Å; Q530-V534 PolarHBondContact O-N 2.89Å; R531-V534 PolarHBondContact O-N 3.17Å; V534-A536 PolarHBondContact O-N 3.41Å; V534-K537 WeakPolarHBondContact O-CB 3.27Å; V534-K537 PolarHBondContact O-N 2.98Å; V534-N538 WeakPolarHBondContact O-CB 3.43Å; V534-N538 PolarHBondContact O-N 3.21Å; V534-N538 PolarHBondContact O-OD1 3.06Å
535S87.6Confident89.1Confident66 Ų6656.5 Ų56.546%0.46229%0.288SS..Hα-helixtrans-61.5-43.2175.1-175.50000112.3R531 D532 R533 N538 S539R531-S535 WeakPolarHBondContact O-CB 3.35Å; R531-S535 PolarHBondContact O-N 3.33Å; D532-S535 PolarHBondContact O-N 3.2Å; R533-S535 VanDerWaalsContact C-N 3.33Å; S535-N538 PolarHBondContact O-N 2.87Å; S535-S539 VanDerWaalsContact O-CB 3.3Å; S535-S539 WeakPolarHBondContact O-CB 3.46Å; S535-S539 PolarHBondContact O-N 3.45Å; S535-S539 PolarHBondContact O-OG 3.08Å
536A91.3Very high89.4Confident10 Ų1057 Ų578%0.08329%0.285CS..Hα-helixtrans-63.7-42.9175.600000112.1D532 R533 V534 S539 L540 K586 E590D532-A536 WeakPolarHBondContact O-CB 3.34Å; D532-A536 PolarHBondContact O-N 2.93Å; R533-A536 PolarHBondContact O-N 3.2Å; V534-A536 PolarHBondContact O-N 3.41Å; A536-S539 PolarHBondContact O-N 3.06Å; A536-L540 PolarHBondContact O-N 3.48Å; A536-K586 HydrophobicContact CB-CG 3.91Å; A536-E590 HydrophobicContact CB-CG 4.3Å
537K90.8Very high89.7Confident31 Ų3155 Ų5514%0.13528%0.276CS..Hα-helixtrans-57.9-52.8173-176.8-169.3175.4-1610111.6R533 V534 S539 L540 E541 L578 Y589R533-K537 PolarHBondContact O-N 3.42Å; V534-K537 WeakPolarHBondContact O-CB 3.27Å; V534-K537 PolarHBondContact O-N 2.98Å; K537-S539 PolarHBondContact O-N 3.46Å; K537-L540 WeakPolarHBondContact O-CB 3.46Å; K537-L540 PolarHBondContact O-N 2.97Å; K537-L540 VanDerWaalsContact O-N 3.15Å; K537-E541 WeakPolarHBondContact O-CB 3.47Å; K537-E541 PolarHBondContact O-N 2.71Å; K537-L578 HydrophobicContact CG-CD2 3.98Å; K537-Y589 HydrophobicContact CB-CD1 4.05Å; K537-Y589 HydrophobicContact CB-CD2 3.92Å; K537-Y589 HydrophobicContact CB-CE1 3.86Å; K537-Y589 HydrophobicContact CB-CE2 3.7Å; K537-Y589 HydrophobicContact CB-CG 4.09Å; K537-Y589 HydrophobicContact CD-CE1 4.31Å; K537-Y589 HydrophobicContact CG-CD1 4.16Å; K537-Y589 HydrophobicContact CG-CE1 3.63Å; K537-Y589 HydrophobicContact CG-CE2 4.24Å
538N89.9Confident90.1Very high74 Ų7455.4 Ų55.440%0.39628%0.276SS..Hα-helixtrans-62.9-34.8-179.2-67.8-4.1000111.4V534 S535 S542V534-N538 WeakPolarHBondContact O-CB 3.43Å; V534-N538 PolarHBondContact O-N 3.21Å; V534-N538 PolarHBondContact O-OD1 3.06Å; S535-N538 PolarHBondContact O-N 2.87Å; N538-S542 WeakPolarHBondContact O-CB 3.3Å; N538-S542 PolarHBondContact O-N 3.34Å; N538-S542 PolarHBondContact O-OG 2.85Å
539S92.2Very high90.4Very high46 Ų4658.6 Ų58.632%0.32229%0.291SS..Hα-helixtrans-65.5-43.5174.9-630000111.8S535 A536 K537 Y543S535-S539 VanDerWaalsContact O-CB 3.3Å; S535-S539 WeakPolarHBondContact O-CB 3.46Å; S535-S539 PolarHBondContact O-N 3.45Å; S535-S539 PolarHBondContact O-OG 3.08Å; A536-S539 PolarHBondContact O-N 3.06Å; K537-S539 PolarHBondContact O-N 3.46Å; S539-Y543 VanDerWaalsContact O-CB 3.29Å; S539-Y543 WeakPolarHBondContact O-CB 3.25Å; S539-Y543 PolarHBondContact O-N 3.28Å
540L94.9Very high90.5Very high0 Ų056.2 Ų56.20%028%0.282CS..Hα-helixtrans-61.6-50.4173.7174.260.3000110.8A536 K537 S542 Y543 V544 T574 W577 L578 Y589 K592 R593A536-L540 PolarHBondContact O-N 3.48Å; K537-L540 WeakPolarHBondContact O-CB 3.46Å; K537-L540 PolarHBondContact O-N 2.97Å; K537-L540 VanDerWaalsContact O-N 3.15Å; L540-S542 PolarHBondContact O-N 3.43Å; L540-Y543 PolarHBondContact O-N 3.28Å; L540-V544 HydrophobicContact CD1-CG2 4.08Å; L540-V544 HydrophobicContact CG-CG2 4.41Å; L540-V544 WeakPolarHBondContact O-CG2 3.45Å; L540-V544 PolarHBondContact O-N 3.06Å; L540-T574 HydrophobicContact CD1-CG2 3.83Å; L540-T574 HydrophobicContact CD2-CG2 4.2Å; L540-T574 HydrophobicContact CG-CG2 4.15Å; L540-W577 HydrophobicContact CD2-CZ3 4.29Å; L540-L578 HydrophobicContact CD2-CD1 4.41Å; L540-L578 HydrophobicContact CD2-CD2 3.91Å; L540-L578 HydrophobicContact CD2-CG 4.17Å; L540-L578 HydrophobicContact CG-CD1 4.28Å; L540-L578 HydrophobicContact CG-CD2 4.45Å; L540-Y589 HydrophobicContact CD2-CD1 4.03Å; L540-K592 HydrophobicContact CD2-CB 3.81Å; L540-K592 HydrophobicContact CD2-CG 3.97Å; L540-R593 HydrophobicContact CD1-CB 3.78Å; L540-R593 HydrophobicContact CD1-CG 4Å
541E92.7Very high90.8Very high65 Ų6555 Ų5530%0.30428%0.276SS..Hα-helixtrans-59.3-47.7-179.7-174.6170-162.900111.7K537 Y543 V544 Y545 L578K537-E541 WeakPolarHBondContact O-CB 3.47Å; K537-E541 PolarHBondContact O-N 2.71Å; E541-Y543 VanDerWaalsContact C-N 3.32Å; E541-Y543 PolarHBondContact O-N 3.04Å; E541-V544 PolarHBondContact O-N 3.12Å; E541-Y545 HydrophobicContact CG-CD2 3.73Å; E541-Y545 HydrophobicContact CG-CE2 3.4Å; E541-Y545 WeakPolarHBondContact O-CD2 3.24Å; E541-Y545 PolarHBondContact O-N 2.77Å; E541-L578 HydrophobicContact CB-CD1 4.02Å; E541-L578 HydrophobicContact CG-CD1 4.36Å
542S93.2Very high91.1Very high69 Ų6951.7 Ų51.748%0.48327%0.267SS..Hα-helixtrans-60.6-41.5176.6-60.30000112N538 L540 T546N538-S542 WeakPolarHBondContact O-CB 3.3Å; N538-S542 PolarHBondContact O-N 3.34Å; N538-S542 PolarHBondContact O-OG 2.85Å; L540-S542 PolarHBondContact O-N 3.43Å; S542-T546 VanDerWaalsContact O-CB 3.28Å; S542-T546 WeakPolarHBondContact O-CB 3.36Å; S542-T546 PolarHBondContact O-N 2.87Å; S542-T546 PolarHBondContact O-OG1 3.08Å
543Y94.2Very high91.1Very high52 Ų5250.7 Ų50.720%0.20427%0.271CS..Hα-helixtrans-64.8-43.9177.4179.7-109.7000111.6S539 L540 E541 T546 M547 R593 L596 E597S539-Y543 VanDerWaalsContact O-CB 3.29Å; S539-Y543 WeakPolarHBondContact O-CB 3.25Å; S539-Y543 PolarHBondContact O-N 3.28Å; L540-Y543 PolarHBondContact O-N 3.28Å; E541-Y543 VanDerWaalsContact C-N 3.32Å; E541-Y543 PolarHBondContact O-N 3.04Å; Y543-T546 PolarHBondContact O-N 2.89Å; Y543-M547 HydrophobicContact CE1-CE 4.49Å; Y543-M547 HydrophobicContact CE2-CE 3.75Å; Y543-M547 WeakPolarHBondContact O-CB 3.44Å; Y543-M547 PolarHBondContact O-N 3.12Å; Y543-M547 WeakPolarHBondContact OH-CE 3.14Å; Y543-R593 HydrophobicContact CD1-CG 4.11Å; Y543-L596 HydrophobicContact CD1-CD2 3.68Å; Y543-L596 HydrophobicContact CD1-CG 4.16Å; Y543-L596 HydrophobicContact CE1-CB 4.18Å; Y543-L596 HydrophobicContact CE1-CD2 3.75Å; Y543-L596 HydrophobicContact CE1-CG 3.71Å; Y543-E597 HydrophobicContact CD1-CG 4.47Å; Y543-E597 HydrophobicContact CE1-CG 3.64Å; Y543-E597 HydrophobicContact CE2-CG 4.32Å; Y543-E597 WeakPolarHBondContact OH-CG 3.2Å
544V95.1Very high90.9Very high0 Ų056.6 Ų56.60%030%0.3CS..Hα-helixtrans-59-49.1177174.20000111.3L540 E541 M547 K548 C571 T574 I575 L596L540-V544 HydrophobicContact CD1-CG2 4.08Å; L540-V544 HydrophobicContact CG-CG2 4.41Å; L540-V544 WeakPolarHBondContact O-CG2 3.45Å; L540-V544 PolarHBondContact O-N 3.06Å; E541-V544 PolarHBondContact O-N 3.12Å; V544-M547 PolarHBondContact O-N 2.97Å; V544-K548 PolarHBondContact O-N 3.16Å; V544-C571 HydrophobicContact CG1-CB 4Å; V544-T574 HydrophobicContact CG2-CG2 3.47Å; V544-T574 VanDerWaalsContact CG2-CG2 3.47Å; V544-I575 HydrophobicContact CG1-CD1 3.94Å; V544-I575 HydrophobicContact CG1-CG1 3.55Å; V544-L596 HydrophobicContact CB-CD2 4.27Å; V544-L596 HydrophobicContact CG2-CD2 3.41Å; V544-L596 VanDerWaalsContact CG2-CD2 3.41Å
545Y93.4Very high90.9Very high114 Ų11454.5 Ų54.545%0.44729%0.287SS..Hα-helixtrans-68.5-40.6-179.9-73.1-59.8000112.7E541 M547 K548 Q549 I575E541-Y545 HydrophobicContact CG-CD2 3.73Å; E541-Y545 HydrophobicContact CG-CE2 3.4Å; E541-Y545 WeakPolarHBondContact O-CD2 3.24Å; E541-Y545 PolarHBondContact O-N 2.77Å; Y545-M547 VanDerWaalsContact C-N 3.31Å; Y545-M547 PolarHBondContact O-N 2.85Å; Y545-K548 PolarHBondContact O-N 3.37Å; Y545-Q549 WeakPolarHBondContact O-CB 3.44Å; Y545-Q549 PolarHBondContact O-N 2.91Å; Y545-I575 HydrophobicContact CE1-CD1 4.06Å
546T92.6Very high90.8Very high64 Ų6456.6 Ų56.639%0.39329%0.288SS..Hα-helixtrans-59.8-44.6175-59.10000110.8S542 Y543 Q549 Q550S542-T546 VanDerWaalsContact O-CB 3.28Å; S542-T546 WeakPolarHBondContact O-CB 3.36Å; S542-T546 PolarHBondContact O-N 2.87Å; S542-T546 PolarHBondContact O-OG1 3.08Å; Y543-T546 PolarHBondContact O-N 2.89Å; T546-Q549 PolarHBondContact O-N 3.11Å; T546-Q550 HydrophobicContact CG2-CG 4.45Å; T546-Q550 WeakPolarHBondContact O-CB 3.33Å; T546-Q550 WeakPolarHBondContact O-CG 3.29Å; T546-Q550 PolarHBondContact O-N 3.15Å
547M91.8Very high90.5Very high6 Ų665.3 Ų65.33%0.0333%0.327CS..Hα-helixtrans-62.3-47.1178.9-172.757.854.700111.8Y543 V544 Y545 Q549 Q550 V551 I567 C600 I604Y543-M547 HydrophobicContact CE1-CE 4.49Å; Y543-M547 HydrophobicContact CE2-CE 3.75Å; Y543-M547 WeakPolarHBondContact O-CB 3.44Å; Y543-M547 PolarHBondContact O-N 3.12Å; Y543-M547 WeakPolarHBondContact OH-CE 3.14Å; V544-M547 PolarHBondContact O-N 2.97Å; Y545-M547 VanDerWaalsContact C-N 3.31Å; Y545-M547 PolarHBondContact O-N 2.85Å; M547-Q549 VanDerWaalsContact C-N 3.34Å; M547-Q549 PolarHBondContact O-N 3.35Å; M547-Q550 PolarHBondContact O-N 3.28Å; M547-V551 WeakPolarHBondContact O-CG2 3.12Å; M547-V551 PolarHBondContact O-N 2.99Å; M547-V551 HydrophobicContact SD-CG2 4.26Å; M547-I567 HydrophobicContact CG-CG2 3.58Å; M547-I567 HydrophobicContact SD-CG2 4.14Å; M547-C600 HydrophobicContact CE-CB 3.76Å; M547-C600 HydrophobicContact CG-CB 4.34Å; M547-C600 HydrophobicContact SD-CB 3.79Å; M547-I604 HydrophobicContact CE-CD1 3.52Å; M547-I604 HydrophobicContact SD-CD1 3.33Å; M547-I604 WeakPolarHBondContact SD-CD1 3.44Å
548K90.6Very high90.3Very high46 Ų4670.6 Ų70.620%0.235%0.35CS..Hα-helixtrans-59.7-45.5176.9-170.9165.9-178.5159.90111V544 Y545 Q550 V551 E552 E572V544-K548 PolarHBondContact O-N 3.16Å; Y545-K548 PolarHBondContact O-N 3.37Å; K548-Q550 PolarHBondContact O-N 2.93Å; K548-V551 PolarHBondContact O-N 3.08Å; K548-E552 VanDerWaalsContact CE-OE1 3.32Å; K548-E552 WeakPolarHBondContact CE-OE1 3.25Å; K548-E552 HydrophobicContact CG-CG 4.48Å; K548-E552 WeakPolarHBondContact O-CB 3.48Å; K548-E552 WeakPolarHBondContact O-CG 3.29Å; K548-E552 PolarHBondContact O-N 2.81Å; K548-E572 IonicContact NZ-OE1 3.96Å; K548-E572 PolarHBondContact NZ-OE1 2.78Å; K548-E572 VanDerWaalsContact NZ-OE1 3.07Å
549Q92.1Very high90.2Very high146 Ų14667.5 Ų67.568%0.68233%0.334SS*.Hα-helixtrans-61.9-43.2177.1-171.7-178.917.700112.8Y545 T546 M547 G553Y545-Q549 WeakPolarHBondContact O-CB 3.44Å; Y545-Q549 PolarHBondContact O-N 2.91Å; T546-Q549 PolarHBondContact O-N 3.11Å; M547-Q549 VanDerWaalsContact C-N 3.34Å; M547-Q549 PolarHBondContact O-N 3.35Å; Q549-G553 WeakPolarHBondContact O-CA 3.25Å; Q549-G553 PolarHBondContact O-N 2.82Å
550Q90.2Very high90.1Very high71 Ų7168.8 Ų68.833%0.33234%0.341SS..Hα-helixtrans-63.7-43.9179-76.8178.4-12.700112.3T546 M547 K548 G553 E554 L555T546-Q550 HydrophobicContact CG2-CG 4.45Å; T546-Q550 WeakPolarHBondContact O-CB 3.33Å; T546-Q550 WeakPolarHBondContact O-CG 3.29Å; T546-Q550 PolarHBondContact O-N 3.15Å; M547-Q550 PolarHBondContact O-N 3.28Å; K548-Q550 PolarHBondContact O-N 2.93Å; Q550-G553 CarbonylContact O-C 3.41Å; Q550-G553 PolarHBondContact O-N 3.42Å; Q550-E554 PolarHBondContact O-N 3.14Å; Q550-L555 HydrophobicContact CB-CD1 4.12Å; Q550-L555 WeakPolarHBondContact O-CB 3.46Å; Q550-L555 PolarHBondContact O-N 3.44Å
551V89.4Confident89.8Confident0 Ų073.5 Ų73.50%036%0.363CS..Hα-helixtrans-75.4-27.9-177.8173.50000112.6M547 K548 K556 I559 R564 I567 I568M547-V551 WeakPolarHBondContact O-CG2 3.12Å; M547-V551 PolarHBondContact O-N 2.99Å; M547-V551 HydrophobicContact SD-CG2 4.26Å; K548-V551 PolarHBondContact O-N 3.08Å; V551-K556 WeakPolarHBondContact O-CA 3.46Å; V551-I559 HydrophobicContact CG1-CD1 4.47Å; V551-I559 HydrophobicContact CG2-CD1 3.98Å; V551-R564 HydrophobicContact CG1-CB 4.04Å; V551-R564 HydrophobicContact CG1-CG 3.55Å; V551-R564 PolarHBondContact O-NE 2.94Å; V551-I567 HydrophobicContact CG2-CB 4.35Å; V551-I567 HydrophobicContact CG2-CD1 3.85Å; V551-I567 HydrophobicContact CG2-CG2 3.87Å; V551-I568 HydrophobicContact CG1-CD1 4.37Å; V551-I568 HydrophobicContact CG1-CG1 4.2Å
552E88.7Confident89.7Confident83 Ų8374.1 Ų74.139%0.38837%0.374SS..Hα-helixtrans-87.9-16.5174-67.8-179.716300113.4K548 K556 I568K548-E552 VanDerWaalsContact CE-OE1 3.32Å; K548-E552 WeakPolarHBondContact CE-OE1 3.25Å; K548-E552 HydrophobicContact CG-CG 4.48Å; K548-E552 WeakPolarHBondContact O-CB 3.48Å; K548-E552 WeakPolarHBondContact O-CG 3.29Å; K548-E552 PolarHBondContact O-N 2.81Å; E552-K556 WeakPolarHBondContact O-CD 3.5Å; E552-I568 HydrophobicContact CG-CD1 4.14Å
553G88.6Confident89.6Confident42 Ų4273.1 Ų73.143%0.43336%0.364SS..THydrogen-bonded Turntrans-106-111.5177.600000112.9Q549 Q550 L555 K556Q549-G553 WeakPolarHBondContact O-CA 3.25Å; Q549-G553 PolarHBondContact O-N 2.82Å; Q550-G553 CarbonylContact O-C 3.41Å; Q550-G553 PolarHBondContact O-N 3.42Å; G553-L555 VanDerWaalsContact C-N 3.26Å; G553-L555 PolarHBondContact O-N 2.74Å; G553-K556 WeakPolarHBondContact O-CB 3.33Å; G553-K556 PolarHBondContact O-N 3.5Å
554E84.8Confident89.4Confident154 Ų15472.1 Ų72.172%0.7236%0.36SS*.THydrogen-bonded Turntrans-59.6-29.7-167.8-61.8-176.6174.800115.2Q550Q550-E554 PolarHBondContact O-N 3.14Å
555L85Confident89.3Confident5 Ų576.6 Ų76.63%0.02638%0.381CS..THydrogen-bonded Turntrans-93.9-4.2-178.6-55.6179.2000112.7Q550 G553 E557 K558 I559 I604 V607Q550-L555 HydrophobicContact CB-CD1 4.12Å; Q550-L555 WeakPolarHBondContact O-CB 3.46Å; Q550-L555 PolarHBondContact O-N 3.44Å; G553-L555 VanDerWaalsContact C-N 3.26Å; G553-L555 PolarHBondContact O-N 2.74Å; L555-E557 VanDerWaalsContact C-N 3.3Å; L555-E557 PolarHBondContact O-N 3.2Å; L555-K558 HydrophobicContact CD2-CD 4.37Å; L555-K558 PolarHBondContact O-N 2.9Å; L555-I559 HydrophobicContact CB-CD1 3.47Å; L555-I559 VanDerWaalsContact CB-CD1 3.47Å; L555-I559 HydrophobicContact CB-CG1 3.96Å; L555-I559 HydrophobicContact CD1-CD1 4.02Å; L555-I559 HydrophobicContact CG-CD1 4.36Å; L555-I559 WeakPolarHBondContact O-CG1 3.25Å; L555-I559 PolarHBondContact O-N 3.3Å; L555-I604 HydrophobicContact CD1-CD1 4.48Å; L555-I604 HydrophobicContact CD1-CG1 4.31Å; L555-V607 HydrophobicContact CD2-CG1 4.29Å
556K85.2Confident89.3Confident111 Ų11174.9 Ų74.948%0.48338%0.382SS..THydrogen-bonded Turntrans-55.4-42.5-174.9-175.5179.2-179.4178.60113V551 E552 G553V551-K556 WeakPolarHBondContact O-CA 3.46Å; E552-K556 WeakPolarHBondContact O-CD 3.5Å; G553-K556 WeakPolarHBondContact O-CB 3.33Å; G553-K556 PolarHBondContact O-N 3.5Å
557E86Confident89.3Confident193 Ų19371.8 Ų71.890%0.90236%0.363SS*.THydrogen-bonded Turntrans-87-11.9179.3-62.5-174.6170.500113.4L555L555-E557 VanDerWaalsContact C-N 3.3Å; L555-E557 PolarHBondContact O-N 3.2Å
558K87Confident89.4Confident141 Ų14172 Ų7261%0.61336%0.364SS*.THydrogen-bonded Turntrans-99.4-17.2-175.3-60.4179.4-178.7170.80113.2L555 V607L555-K558 HydrophobicContact CD2-CD 4.37Å; L555-K558 PolarHBondContact O-N 2.9Å; K558-V607 HydrophobicContact CB-CG1 3.69Å; K558-V607 HydrophobicContact CD-CG1 4.49Å
559I87Confident89.5Confident9 Ų972.7 Ų72.75%0.04638%0.375CS..SBendtrans-103.5132.6179.2-62.4171.3000108.9V551 L555 E561 D563 R564 I603 V607V551-I559 HydrophobicContact CG1-CD1 4.47Å; V551-I559 HydrophobicContact CG2-CD1 3.98Å; L555-I559 HydrophobicContact CB-CD1 3.47Å; L555-I559 VanDerWaalsContact CB-CD1 3.47Å; L555-I559 HydrophobicContact CB-CG1 3.96Å; L555-I559 HydrophobicContact CD1-CD1 4.02Å; L555-I559 HydrophobicContact CG-CD1 4.36Å; L555-I559 WeakPolarHBondContact O-CG1 3.25Å; L555-I559 PolarHBondContact O-N 3.3Å; I559-E561 PolarHBondContact O-N 3.15Å; I559-D563 HydrophobicContact CG2-CB 3.66Å; I559-R564 HydrophobicContact CB-CB 4.49Å; I559-R564 HydrophobicContact CG2-CB 3.95Å; I559-I603 HydrophobicContact CG2-CG2 3.98Å; I559-V607 HydrophobicContact CD1-CG2 4.47Å; I559-V607 HydrophobicContact CG1-CG2 3.54Å
560P89.2Confident89.7Confident73 Ų7367.9 Ų67.947%0.47435%0.351SS..  trans-54.8137.7169.8-2433.8000111.6S562 D563 R564P560-S562 PolarHBondContact O-N 2.99Å; P560-D563 PolarHBondContact O-N 3.28Å; P560-R564 PolarHBondContact O-N 2.72Å
561E89.2Confident89.9Confident99 Ų9964.5 Ų64.546%0.46334%0.335SS..Hα-helixtrans-54.6-34.4-175.4-176.960-163.800112.7I559 R564 Q565I559-E561 PolarHBondContact O-N 3.15Å; E561-R564 VanDerWaalsContact CD-NH1 3.34Å; E561-R564 PolarHBondContact O-N 3.41Å; E561-R564 IonicContact OE1-NH1 3.89Å; E561-R564 PolarHBondContact OE1-NH1 3.29Å; E561-R564 IonicContact OE2-CZ 2.64Å; E561-R564 IonicContact OE2-NH1 2.54Å; E561-R564 PolarHBondContact OE2-NH1 2.93Å; E561-Q565 HydrophobicContact CG-CG 4.41Å; E561-Q565 WeakPolarHBondContact O-CB 3.44Å; E561-Q565 VanDerWaalsContact O-CG 3.26Å; E561-Q565 WeakPolarHBondContact O-CG 3.27Å; E561-Q565 PolarHBondContact O-N 2.58Å; E561-Q565 PolarHBondContact OE1-NE2 2.87Å
562S90.6Very high90.2Very high78 Ų7868.6 Ų68.655%0.54536%0.355SS..Hα-helixtrans-59.7-47174.556.20000113P560 Q565 V566P560-S562 PolarHBondContact O-N 2.99Å; S562-Q565 PolarHBondContact O-N 3.1Å; S562-V566 WeakPolarHBondContact O-CG2 3.33Å; S562-V566 PolarHBondContact O-N 3.12Å
563D91.3Very high90.5Very high48 Ų4868.9 Ų68.926%0.25736%0.359SS..Hα-helixtrans-71.2-36.6-178.8-72.61.8000110.5I559 P560 V566 I567 I603I559-D563 HydrophobicContact CG2-CB 3.66Å; P560-D563 PolarHBondContact O-N 3.28Å; D563-V566 PolarHBondContact O-N 2.58Å; D563-I567 PolarHBondContact O-N 3.07Å; D563-I567 VanDerWaalsContact O-N 3.13Å; D563-I603 HydrophobicContact CB-CD1 4.15Å; D563-I603 HydrophobicContact CB-CG1 4.37Å; D563-I603 HydrophobicContact CB-CG2 3.78Å
564R90.7Very high90.8Very high32 Ų3266.9 Ų66.912%0.12134%0.338CS..Hα-helixtrans-60.3-47.4173.8164.1161.3-177.6-81.9-14.7111.8V551 I559 P560 E561 V566 I567 I568V551-R564 HydrophobicContact CG1-CB 4.04Å; V551-R564 HydrophobicContact CG1-CG 3.55Å; V551-R564 PolarHBondContact O-NE 2.94Å; I559-R564 HydrophobicContact CB-CB 4.49Å; I559-R564 HydrophobicContact CG2-CB 3.95Å; P560-R564 PolarHBondContact O-N 2.72Å; E561-R564 VanDerWaalsContact CD-NH1 3.34Å; E561-R564 PolarHBondContact O-N 3.41Å; E561-R564 IonicContact OE1-NH1 3.89Å; E561-R564 PolarHBondContact OE1-NH1 3.29Å; E561-R564 IonicContact OE2-CZ 2.64Å; E561-R564 IonicContact OE2-NH1 2.54Å; E561-R564 PolarHBondContact OE2-NH1 2.93Å; R564-V566 VanDerWaalsContact C-N 3.3Å; R564-V566 PolarHBondContact O-N 2.73Å; R564-I567 PolarHBondContact O-N 3.47Å; R564-I568 HydrophobicContact CG-CD1 3.9Å; R564-I568 WeakPolarHBondContact O-CG1 3.45Å; R564-I568 PolarHBondContact O-N 2.98Å
565Q92.1Very high91.3Very high94 Ų9461 Ų6144%0.43931%0.311SS..Hα-helixtrans-62.7-37.1177.5-71.7-63.4-24.800112.3E561 S562 I568 S569E561-Q565 HydrophobicContact CG-CG 4.41Å; E561-Q565 WeakPolarHBondContact O-CB 3.44Å; E561-Q565 VanDerWaalsContact O-CG 3.26Å; E561-Q565 WeakPolarHBondContact O-CG 3.27Å; E561-Q565 PolarHBondContact O-N 2.58Å; E561-Q565 PolarHBondContact OE1-NE2 2.87Å; S562-Q565 PolarHBondContact O-N 3.1Å; Q565-I568 PolarHBondContact O-N 2.76Å; Q565-S569 VanDerWaalsContact O-CB 3.29Å; Q565-S569 WeakPolarHBondContact O-CB 3.5Å; Q565-S569 PolarHBondContact O-N 3.07Å
566V92.7Very high91.7Very high77 Ų7764 Ų6447%0.46733%0.333SS..Hα-helixtrans-61.4-44.1175170.10000111.5S562 D563 R564 K570 V599 I603S562-V566 WeakPolarHBondContact O-CG2 3.33Å; S562-V566 PolarHBondContact O-N 3.12Å; D563-V566 PolarHBondContact O-N 2.58Å; R564-V566 VanDerWaalsContact C-N 3.3Å; R564-V566 PolarHBondContact O-N 2.73Å; V566-K570 WeakPolarHBondContact O-CB 3.43Å; V566-K570 PolarHBondContact O-N 2.67Å; V566-K570 VanDerWaalsContact O-N 3.1Å; V566-V599 HydrophobicContact CG1-CG1 3.74Å; V566-I603 HydrophobicContact CG1-CD1 4.49Å
567I93.1Very high92.2Very high0 Ų061.1 Ų61.10%032%0.319CS..Hα-helixtrans-65.4-49.4177.7-65.4170000110.9M547 V551 D563 R564 S569 K570 C571 I603M547-I567 HydrophobicContact CG-CG2 3.58Å; M547-I567 HydrophobicContact SD-CG2 4.14Å; V551-I567 HydrophobicContact CG2-CB 4.35Å; V551-I567 HydrophobicContact CG2-CD1 3.85Å; V551-I567 HydrophobicContact CG2-CG2 3.87Å; D563-I567 PolarHBondContact O-N 3.07Å; D563-I567 VanDerWaalsContact O-N 3.13Å; R564-I567 PolarHBondContact O-N 3.47Å; I567-S569 VanDerWaalsContact C-N 3.34Å; I567-S569 PolarHBondContact O-N 3.28Å; I567-K570 PolarHBondContact O-N 2.74Å; I567-C571 PolarHBondContact O-N 2.58Å; I567-C571 PolarHBondContact O-SG 2.68Å; I567-I603 HydrophobicContact CD1-CB 4.06Å; I567-I603 HydrophobicContact CD1-CD1 3.98Å; I567-I603 HydrophobicContact CD1-CG2 3.75Å; I567-I603 HydrophobicContact CG1-CD1 3.75Å
568I93.4Very high92.6Very high11 Ų1152.1 Ų52.16%0.05628%0.277CS..Hα-helixtrans-59-46.8-178.2-68.7171000110.6V551 E552 R564 Q565 K570 C571 E572V551-I568 HydrophobicContact CG1-CD1 4.37Å; V551-I568 HydrophobicContact CG1-CG1 4.2Å; E552-I568 HydrophobicContact CG-CD1 4.14Å; R564-I568 HydrophobicContact CG-CD1 3.9Å; R564-I568 WeakPolarHBondContact O-CG1 3.45Å; R564-I568 PolarHBondContact O-N 2.98Å; Q565-I568 PolarHBondContact O-N 2.76Å; I568-K570 PolarHBondContact O-N 2.97Å; I568-C571 WeakPolarHBondContact O-CB 3.05Å; I568-C571 PolarHBondContact O-N 2.79Å; I568-E572 HydrophobicContact CG2-CG 4.47Å; I568-E572 WeakPolarHBondContact O-CG 3.48Å; I568-E572 PolarHBondContact O-N 3.1Å
569S94.4Very high92.8Very high60 Ų6050.5 Ų50.542%0.4228%0.275SS..Hα-helixtrans-59.3-44.3177.2175.30000111.9Q565 I567 C571 E572 D573Q565-S569 VanDerWaalsContact O-CB 3.29Å; Q565-S569 WeakPolarHBondContact O-CB 3.5Å; Q565-S569 PolarHBondContact O-N 3.07Å; I567-S569 VanDerWaalsContact C-N 3.34Å; I567-S569 PolarHBondContact O-N 3.28Å; S569-C571 VanDerWaalsContact C-N 3.35Å; S569-C571 PolarHBondContact O-N 3.15Å; S569-E572 PolarHBondContact O-N 3.03Å; S569-D573 VanDerWaalsContact O-CG 3.31Å; S569-D573 PolarHBondContact O-N 3.43Å
570K95.4Very high93Very high44 Ų4455.4 Ų55.419%0.19131%0.305CS..Hα-helixtrans-67.7-34.6178-170.167.9-177.8-179.80112.3V566 I567 I568 T574 E595 L596 V599V566-K570 WeakPolarHBondContact O-CB 3.43Å; V566-K570 PolarHBondContact O-N 2.67Å; V566-K570 VanDerWaalsContact O-N 3.1Å; I567-K570 PolarHBondContact O-N 2.74Å; I568-K570 PolarHBondContact O-N 2.97Å; K570-T574 WeakPolarHBondContact O-CB 3.43Å; K570-T574 PolarHBondContact O-N 3.18Å; K570-T574 PolarHBondContact O-OG1 2.87Å; K570-E595 IonicContact NZ-OE2 3.94Å; K570-E595 PolarHBondContact NZ-OE2 3.13Å; K570-L596 HydrophobicContact CB-CD1 3.98Å; K570-L596 HydrophobicContact CG-CD1 3.52Å; K570-V599 HydrophobicContact CB-CG1 4.38Å; K570-V599 HydrophobicContact CD-CG2 4.39Å; K570-V599 HydrophobicContact CG-CB 4.35Å; K570-V599 HydrophobicContact CG-CG1 4.47Å; K570-V599 HydrophobicContact CG-CG2 4.2Å
571C95.1Very high93.1Very high0 Ų055.2 Ų55.20%030%0.298CS..Hα-helixtrans-61.8-47.7171.4-75.50000110.8V544 I567 I568 S569 T574 I575V544-C571 HydrophobicContact CG1-CB 4Å; I567-C571 PolarHBondContact O-N 2.58Å; I567-C571 PolarHBondContact O-SG 2.68Å; I568-C571 WeakPolarHBondContact O-CB 3.05Å; I568-C571 PolarHBondContact O-N 2.79Å; S569-C571 VanDerWaalsContact C-N 3.35Å; S569-C571 PolarHBondContact O-N 3.15Å; C571-T574 CarbonylContact O-C 3.57Å; C571-T574 WeakPolarHBondContact O-CA 3.16Å; C571-T574 WeakPolarHBondContact O-CB 3.19Å; C571-T574 PolarHBondContact O-N 2.78Å; C571-T574 VanDerWaalsContact O-N 3.09Å; C571-I575 WeakPolarHBondContact O-CG1 3.47Å; C571-I575 PolarHBondContact O-N 3.33Å
572E95.3Very high92.9Very high87 Ų8754.7 Ų54.741%0.40730%0.296SS..Hα-helixtrans-64.6-40179.7-72.3176.5172.300113.1K548 I568 S569 T574 I575 S576K548-E572 IonicContact NZ-OE1 3.96Å; K548-E572 PolarHBondContact NZ-OE1 2.78Å; K548-E572 VanDerWaalsContact NZ-OE1 3.07Å; I568-E572 HydrophobicContact CG2-CG 4.47Å; I568-E572 WeakPolarHBondContact O-CG 3.48Å; I568-E572 PolarHBondContact O-N 3.1Å; S569-E572 PolarHBondContact O-N 3.03Å; E572-T574 PolarHBondContact O-N 2.92Å; E572-I575 PolarHBondContact O-N 2.89Å; E572-S576 WeakPolarHBondContact O-CB 3.46Å; E572-S576 PolarHBondContact O-N 2.62Å; E572-S576 PolarHBondContact O-OG 3.45Å
573D95.1Very high92.6Very high89 Ų8956 Ų5648%0.47630%0.304SS..Hα-helixtrans-60-38.6171.1-72.1-14.8000111.4S569 W577S569-D573 VanDerWaalsContact O-CG 3.31Å; S569-D573 PolarHBondContact O-N 3.43Å; D573-W577 VanDerWaalsContact O-CB 3.28Å; D573-W577 WeakPolarHBondContact O-CB 3.38Å; D573-W577 PolarHBondContact O-N 2.95Å
574T95.3Very high92.5Very high0 Ų054.1 Ų54.10%030%0.296CS..Hα-helixtrans-72.6-38.5179.9-55.20000111.7L540 V544 K570 C571 E572 W577 L578 K592 L596L540-T574 HydrophobicContact CD1-CG2 3.83Å; L540-T574 HydrophobicContact CD2-CG2 4.2Å; L540-T574 HydrophobicContact CG-CG2 4.15Å; V544-T574 HydrophobicContact CG2-CG2 3.47Å; V544-T574 VanDerWaalsContact CG2-CG2 3.47Å; K570-T574 WeakPolarHBondContact O-CB 3.43Å; K570-T574 PolarHBondContact O-N 3.18Å; K570-T574 PolarHBondContact O-OG1 2.87Å; C571-T574 CarbonylContact O-C 3.57Å; C571-T574 WeakPolarHBondContact O-CA 3.16Å; C571-T574 WeakPolarHBondContact O-CB 3.19Å; C571-T574 PolarHBondContact O-N 2.78Å; C571-T574 VanDerWaalsContact O-N 3.09Å; E572-T574 PolarHBondContact O-N 2.92Å; T574-W577 PolarHBondContact O-N 2.83Å; T574-L578 WeakPolarHBondContact O-CB 3.39Å; T574-L578 WeakPolarHBondContact O-CG 3.32Å; T574-L578 PolarHBondContact O-N 3Å; T574-K592 HydrophobicContact CG2-CG 4Å; T574-L596 HydrophobicContact CG2-CD2 4.48Å
575I94Very high92.5Very high30 Ų3056.2 Ų56.215%0.15431%0.307CS..Hα-helixtrans-62.2-50.1172.2-65.2171.2000109.9V544 Y545 C571 E572 W577 L578 D579V544-I575 HydrophobicContact CG1-CD1 3.94Å; V544-I575 HydrophobicContact CG1-CG1 3.55Å; Y545-I575 HydrophobicContact CE1-CD1 4.06Å; C571-I575 WeakPolarHBondContact O-CG1 3.47Å; C571-I575 PolarHBondContact O-N 3.33Å; E572-I575 PolarHBondContact O-N 2.89Å; I575-W577 PolarHBondContact O-N 2.99Å; I575-L578 WeakPolarHBondContact O-CA 3.37Å; I575-L578 WeakPolarHBondContact O-CB 3.34Å; I575-L578 PolarHBondContact O-N 3.38Å; I575-D579 PolarHBondContact O-N 2.71Å
576S94.7Very high92.5Very high69 Ų6955.1 Ų55.148%0.48330%0.301SS..Hα-helixtrans-59.5-37.7178.5-57.30000111.6E572 V580E572-S576 WeakPolarHBondContact O-CB 3.46Å; E572-S576 PolarHBondContact O-N 2.62Å; E572-S576 PolarHBondContact O-OG 3.45Å; S576-V580 WeakPolarHBondContact O-CG2 3.11Å; S576-V580 PolarHBondContact O-N 2.97Å
577W95.6Very high92.6Very high49 Ų4957.3 Ų57.319%0.18631%0.305CS..Hα-helixtrans-65.8-46.4173.9-176.589.9000111.7L540 D573 T574 I575 D579 V580 H581 A584 E588 Y589 K592L540-W577 HydrophobicContact CD2-CZ3 4.29Å; D573-W577 VanDerWaalsContact O-CB 3.28Å; D573-W577 WeakPolarHBondContact O-CB 3.38Å; D573-W577 PolarHBondContact O-N 2.95Å; T574-W577 PolarHBondContact O-N 2.83Å; I575-W577 PolarHBondContact O-N 2.99Å; W577-D579 VanDerWaalsContact C-N 3.31Å; W577-D579 PolarHBondContact O-N 2.73Å; W577-V580 PolarHBondContact O-N 3.38Å; W577-H581 AromaticContact CD1-CE1 3.49Å; W577-H581 VanDerWaalsContact CD1-CE1 3.49Å; W577-H581 AromaticContact CD1-ND1 3.43Å; W577-H581 HydrophobicContact CD2-CB 4.11Å; W577-H581 AromaticContact CD2-ND1 3.81Å; W577-H581 AromaticContact CE2-CG 3.55Å; W577-H581 AromaticContact CE2-ND1 3.6Å; W577-H581 HydrophobicContact CE3-CB 4.22Å; W577-H581 AromaticContact CG-ND1 3.72Å; W577-H581 HydrophobicContact CH2-CB 3.85Å; W577-H581 HydrophobicContact CZ2-CB 3.71Å; W577-H581 AromaticContact CZ2-CG 3.77Å; W577-H581 HydrophobicContact CZ3-CB 4.09Å; W577-H581 AromaticContact NE1-CD2 3.85Å; W577-H581 AromaticContact NE1-CE1 3.4Å; W577-H581 PolarHBondContact NE1-CE1 2.87Å; W577-H581 AromaticContact NE1-CG 3.64Å; W577-H581 AromaticContact NE1-ND1 3.35Å; W577-H581 PolarHBondContact NE1-ND1 3.37Å; W577-H581 AromaticContact NE1-NE2 3.7Å; W577-H581 WeakPolarHBondContact O-CB 3.36Å; W577-H581 PolarHBondContact O-N 2.69Å; W577-H581 PolarHBondContact O-ND1 2.82Å; W577-A584 HydrophobicContact CH2-CB 3.78Å; W577-A584 HydrophobicContact CZ2-CB 4.26Å; W577-E588 HydrophobicContact CH2-CB 4.26Å; W577-E588 HydrophobicContact CZ2-CB 4.41Å; W577-Y589 AromaticContact CH2-CD1 3.97Å; W577-Y589 HydrophobicContact CH2-CD1 3.97Å; W577-Y589 HydrophobicContact CH2-CE1 4.03Å; W577-Y589 AromaticContact CZ3-CD1 3.63Å; W577-Y589 HydrophobicContact CZ3-CD1 3.63Å; W577-Y589 AromaticContact CZ3-CE1 3.68Å; W577-Y589 HydrophobicContact CZ3-CE1 3.68Å; W577-K592 HydrophobicContact CD2-CD 4.18Å; W577-K592 HydrophobicContact CD2-CG 4.25Å; W577-K592 HydrophobicContact CE3-CD 4.45Å; W577-K592 HydrophobicContact CE3-CG 4.01Å; W577-K592 HydrophobicContact CG-CD 4.37Å; W577-K592 HydrophobicContact CZ3-CB 4.42Å; W577-K592 HydrophobicContact CZ3-CG 4.36Å
578L93.1Very high92.7Very high5 Ų560.8 Ų60.83%0.02632%0.322CS..Hα-helixtrans-55.6-46.6176.1-84.1168.8000110.9K537 L540 E541 T574 I575 V580 H581 Q582 Y589K537-L578 HydrophobicContact CG-CD2 3.98Å; L540-L578 HydrophobicContact CD2-CD1 4.41Å; L540-L578 HydrophobicContact CD2-CD2 3.91Å; L540-L578 HydrophobicContact CD2-CG 4.17Å; L540-L578 HydrophobicContact CG-CD1 4.28Å; L540-L578 HydrophobicContact CG-CD2 4.45Å; E541-L578 HydrophobicContact CB-CD1 4.02Å; E541-L578 HydrophobicContact CG-CD1 4.36Å; T574-L578 WeakPolarHBondContact O-CB 3.39Å; T574-L578 WeakPolarHBondContact O-CG 3.32Å; T574-L578 PolarHBondContact O-N 3Å; I575-L578 WeakPolarHBondContact O-CA 3.37Å; I575-L578 WeakPolarHBondContact O-CB 3.34Å; I575-L578 PolarHBondContact O-N 3.38Å; L578-V580 PolarHBondContact O-N 2.54Å; L578-H581 CarbonylContact O-C 3.06Å; L578-H581 PolarHBondContact O-N 2.85Å; L578-H581 VanDerWaalsContact O-N 3.16Å; L578-Q582 PolarHBondContact O-N 2.68Å; L578-Q582 PolarHBondContact O-NE2 2.87Å; L578-Y589 HydrophobicContact CD2-CD1 4.05Å; L578-Y589 HydrophobicContact CD2-CE1 3.77Å
579D91.5Very high92.8Very high106 Ų10660.2 Ų60.257%0.56732%0.319SS*.Hα-helixtrans-57.6-36.6-179.1-71-20000112.8I575 W577I575-D579 PolarHBondContact O-N 2.71Å; W577-D579 VanDerWaalsContact C-N 3.31Å; W577-D579 PolarHBondContact O-N 2.73Å
580V91.5Very high92.8Very high113 Ų11361 Ų6169%0.68532%0.316SS*.Hα-helixtrans-85.1-29.8178.8179.30000112.4S576 W577 L578S576-V580 WeakPolarHBondContact O-CG2 3.11Å; S576-V580 PolarHBondContact O-N 2.97Å; W577-V580 PolarHBondContact O-N 3.38Å; L578-V580 PolarHBondContact O-N 2.54Å
581H90.5Very high92.9Very high69 Ų6961.7 Ų61.732%0.31933%0.326SS..  trans-111.243.6-169.3-61.182.4000113.3W577 L578 S583 A584 Y589W577-H581 AromaticContact CD1-CE1 3.49Å; W577-H581 VanDerWaalsContact CD1-CE1 3.49Å; W577-H581 AromaticContact CD1-ND1 3.43Å; W577-H581 HydrophobicContact CD2-CB 4.11Å; W577-H581 AromaticContact CD2-ND1 3.81Å; W577-H581 AromaticContact CE2-CG 3.55Å; W577-H581 AromaticContact CE2-ND1 3.6Å; W577-H581 HydrophobicContact CE3-CB 4.22Å; W577-H581 AromaticContact CG-ND1 3.72Å; W577-H581 HydrophobicContact CH2-CB 3.85Å; W577-H581 HydrophobicContact CZ2-CB 3.71Å; W577-H581 AromaticContact CZ2-CG 3.77Å; W577-H581 HydrophobicContact CZ3-CB 4.09Å; W577-H581 AromaticContact NE1-CD2 3.85Å; W577-H581 AromaticContact NE1-CE1 3.4Å; W577-H581 PolarHBondContact NE1-CE1 2.87Å; W577-H581 AromaticContact NE1-CG 3.64Å; W577-H581 AromaticContact NE1-ND1 3.35Å; W577-H581 PolarHBondContact NE1-ND1 3.37Å; W577-H581 AromaticContact NE1-NE2 3.7Å; W577-H581 WeakPolarHBondContact O-CB 3.36Å; W577-H581 PolarHBondContact O-N 2.69Å; W577-H581 PolarHBondContact O-ND1 2.82Å; L578-H581 CarbonylContact O-C 3.06Å; L578-H581 PolarHBondContact O-N 2.85Å; L578-H581 VanDerWaalsContact O-N 3.16Å; H581-S583 PolarHBondContact O-N 2.97Å; H581-S583 VanDerWaalsContact O-N 3.09Å; H581-A584 HydrophobicContact CB-CB 4.1Å; H581-A584 WeakPolarHBondContact O-CB 3.37Å; H581-A584 PolarHBondContact O-N 3.36Å; H581-A584 VanDerWaalsContact O-N 3.11Å; H581-Y589 PolarHBondContact O-OH 2.99Å
582Q85.7Confident92.9Very high88 Ų8863.1 Ų63.141%0.41133%0.333SS..THydrogen-bonded Turntrans-60.3-22.7-177.2-62.5-74.5-48.700114.1R533 L578 Y589R533-Q582 PolarHBondContact NH1-O 2.85Å; L578-Q582 PolarHBondContact O-N 2.68Å; L578-Q582 PolarHBondContact O-NE2 2.87Å; Q582-Y589 VanDerWaalsContact C-OH 3.24Å; Q582-Y589 PolarHBondContact O-OH 2.89Å
583S83.7Confident92.9Very high104 Ų10463.1 Ų63.173%0.72733%0.329SS*.THydrogen-bonded Turntrans-107.410.7-179.855.70000114.4H581H581-S583 PolarHBondContact O-N 2.97Å; H581-S583 VanDerWaalsContact O-N 3.09Å
584A89Confident92.9Very high9 Ų963.3 Ų63.37%0.07433%0.327CS..  trans-58.4156.1176.500000112.5R533 W577 H581 E588 Y589R533-A584 WeakPolarHBondContact CD-O 3.39Å; R533-A584 WeakPolarHBondContact CG-O 3.26Å; R533-A584 PolarHBondContact NH1-O 2.86Å; W577-A584 HydrophobicContact CH2-CB 3.78Å; W577-A584 HydrophobicContact CZ2-CB 4.26Å; H581-A584 HydrophobicContact CB-CB 4.1Å; H581-A584 WeakPolarHBondContact O-CB 3.37Å; H581-A584 PolarHBondContact O-N 3.36Å; H581-A584 VanDerWaalsContact O-N 3.11Å; A584-E588 WeakPolarHBondContact CA-OE2 3.39Å; A584-E588 HydrophobicContact CB-CB 4.08Å; A584-E588 WeakPolarHBondContact CB-OE2 3.46Å; A584-Y589 HydrophobicContact CB-CE1 4.2Å; A584-Y589 HydrophobicContact CB-CE2 4.15Å; A584-Y589 WeakPolarHBondContact O-CE2 3.48Å
585E90.8Very high92.9Very high76 Ų7666.8 Ų66.836%0.35534%0.343SS..  trans-74.6158.2178.8-70.3-74.9161.500111.8K529 H587 E588 Y589K529-E585 WeakPolarHBondContact CE-OE2 3.46Å; K529-E585 IonicContact NZ-OE1 2.83Å; K529-E585 IonicContact NZ-OE2 3.45Å; K529-E585 PolarHBondContact NZ-OE2 3.14Å; E585-H587 VanDerWaalsContact C-N 3.3Å; E585-H587 PolarHBondContact O-N 2.89Å; E585-E588 HydrophobicContact CB-CG 4.36Å; E585-E588 PolarHBondContact N-OE2 3.43Å; E585-E588 WeakPolarHBondContact O-CB 3.17Å; E585-E588 PolarHBondContact O-N 2.81Å; E585-Y589 WeakPolarHBondContact O-CD2 3.48Å; E585-Y589 PolarHBondContact O-N 3.43Å
586K92.3Very high93Very high72 Ų7265.3 Ų65.331%0.31334%0.336SS..Hα-helixtrans-49.4-48.9-177.7-179.8-176-177.3171.50112.9D532 R533 A536 E588 Y589 E590D532-K586 HydrophobicContact CB-CD 4.16Å; D532-K586 IonicContact OD2-NZ 3.22Å; D532-K586 PolarHBondContact OD2-NZ 2.9Å; R533-K586 HydrophobicContact CB-CB 4.45Å; A536-K586 HydrophobicContact CB-CG 3.91Å; K586-E588 PolarHBondContact O-N 2.9Å; K586-Y589 PolarHBondContact O-N 3.06Å; K586-E590 WeakPolarHBondContact CE-OE1 3.38Å; K586-E590 HydrophobicContact CG-CG 4.5Å; K586-E590 WeakPolarHBondContact O-CG 3.48Å; K586-E590 PolarHBondContact O-N 2.83Å
587H95.1Very high93Very high122 Ų12264.9 Ų64.957%0.56533%0.326SS*.Hα-helixtrans-65.7-26.6-177.472.8-81.6000113E585 S591E585-H587 VanDerWaalsContact C-N 3.3Å; E585-H587 PolarHBondContact O-N 2.89Å; H587-S591 WeakPolarHBondContact O-CB 3.4Å; H587-S591 PolarHBondContact O-N 2.89Å
588E95.1Very high92.9Very high73 Ų7369.3 Ų69.334%0.34135%0.347SS..Hα-helixtrans-71.1-42.5175.8-61.2-179.291.300110.3W577 A584 E585 K586 K592W577-E588 HydrophobicContact CH2-CB 4.26Å; W577-E588 HydrophobicContact CZ2-CB 4.41Å; A584-E588 WeakPolarHBondContact CA-OE2 3.39Å; A584-E588 HydrophobicContact CB-CB 4.08Å; A584-E588 WeakPolarHBondContact CB-OE2 3.46Å; E585-E588 HydrophobicContact CB-CG 4.36Å; E585-E588 PolarHBondContact N-OE2 3.43Å; E585-E588 WeakPolarHBondContact O-CB 3.17Å; E585-E588 PolarHBondContact O-N 2.81Å; K586-E588 PolarHBondContact O-N 2.9Å; E588-K592 VanDerWaalsContact O-CB 3.3Å; E588-K592 WeakPolarHBondContact O-CB 3.32Å; E588-K592 PolarHBondContact O-N 3.02Å
589Y95.2Very high92.9Very high0 Ų071.1 Ų71.10%036%0.358CS..Hα-helixtrans-63.5-44.2173.1-66-59.2000112.3R533 K537 L540 W577 L578 H581 Q582 A584 E585 K586 K592 R593R533-Y589 HydrophobicContact CG-CD2 4.33Å; R533-Y589 HydrophobicContact CG-CE2 3.97Å; K537-Y589 HydrophobicContact CB-CD1 4.05Å; K537-Y589 HydrophobicContact CB-CD2 3.92Å; K537-Y589 HydrophobicContact CB-CE1 3.86Å; K537-Y589 HydrophobicContact CB-CE2 3.7Å; K537-Y589 HydrophobicContact CB-CG 4.09Å; K537-Y589 HydrophobicContact CD-CE1 4.31Å; K537-Y589 HydrophobicContact CG-CD1 4.16Å; K537-Y589 HydrophobicContact CG-CE1 3.63Å; K537-Y589 HydrophobicContact CG-CE2 4.24Å; L540-Y589 HydrophobicContact CD2-CD1 4.03Å; W577-Y589 AromaticContact CH2-CD1 3.97Å; W577-Y589 HydrophobicContact CH2-CD1 3.97Å; W577-Y589 HydrophobicContact CH2-CE1 4.03Å; W577-Y589 AromaticContact CZ3-CD1 3.63Å; W577-Y589 HydrophobicContact CZ3-CD1 3.63Å; W577-Y589 AromaticContact CZ3-CE1 3.68Å; W577-Y589 HydrophobicContact CZ3-CE1 3.68Å; L578-Y589 HydrophobicContact CD2-CD1 4.05Å; L578-Y589 HydrophobicContact CD2-CE1 3.77Å; H581-Y589 PolarHBondContact O-OH 2.99Å; Q582-Y589 VanDerWaalsContact C-OH 3.24Å; Q582-Y589 PolarHBondContact O-OH 2.89Å; A584-Y589 HydrophobicContact CB-CE1 4.2Å; A584-Y589 HydrophobicContact CB-CE2 4.15Å; A584-Y589 WeakPolarHBondContact O-CE2 3.48Å; E585-Y589 WeakPolarHBondContact O-CD2 3.48Å; E585-Y589 PolarHBondContact O-N 3.43Å; K586-Y589 PolarHBondContact O-N 3.06Å; Y589-K592 PolarHBondContact O-N 3.02Å; Y589-R593 WeakPolarHBondContact O-CB 3.46Å; Y589-R593 PolarHBondContact O-N 3.01Å
590E95.7Very high92.9Very high77 Ų7766.1 Ų66.136%0.3633%0.331SS..Hα-helixtrans-63.2-46.4177.5-71.6173.3163.400111.2A536 K586 K592 R593 E594A536-E590 HydrophobicContact CB-CG 4.3Å; K586-E590 WeakPolarHBondContact CE-OE1 3.38Å; K586-E590 HydrophobicContact CG-CG 4.5Å; K586-E590 WeakPolarHBondContact O-CG 3.48Å; K586-E590 PolarHBondContact O-N 2.83Å; E590-K592 VanDerWaalsContact C-N 3.31Å; E590-K592 PolarHBondContact O-N 2.83Å; E590-R593 WeakPolarHBondContact O-CB 3.31Å; E590-R593 PolarHBondContact O-N 2.91Å; E590-R593 VanDerWaalsContact O-N 3.13Å; E590-E594 PolarHBondContact O-N 3.09Å
591S96Very high92.8Very high58 Ų5862.9 Ų62.941%0.40632%0.316SS..Hα-helixtrans-59-42.7174.5-178.40000111.6H587 R593 E594 E595H587-S591 WeakPolarHBondContact O-CB 3.4Å; H587-S591 PolarHBondContact O-N 2.89Å; S591-R593 VanDerWaalsContact C-N 3.31Å; S591-R593 PolarHBondContact O-N 2.83Å; S591-E594 PolarHBondContact O-N 3.47Å; S591-E595 PolarHBondContact O-N 2.9Å
592K96Very high92.8Very high30 Ų3062.7 Ų62.713%0.1332%0.321CS..Hα-helixtrans-66.5-34.6177.6-162.272-173.2167.80112.2L540 T574 W577 E588 Y589 E590 E595 L596L540-K592 HydrophobicContact CD2-CB 3.81Å; L540-K592 HydrophobicContact CD2-CG 3.97Å; T574-K592 HydrophobicContact CG2-CG 4Å; W577-K592 HydrophobicContact CD2-CD 4.18Å; W577-K592 HydrophobicContact CD2-CG 4.25Å; W577-K592 HydrophobicContact CE3-CD 4.45Å; W577-K592 HydrophobicContact CE3-CG 4.01Å; W577-K592 HydrophobicContact CG-CD 4.37Å; W577-K592 HydrophobicContact CZ3-CB 4.42Å; W577-K592 HydrophobicContact CZ3-CG 4.36Å; E588-K592 VanDerWaalsContact O-CB 3.3Å; E588-K592 WeakPolarHBondContact O-CB 3.32Å; E588-K592 PolarHBondContact O-N 3.02Å; Y589-K592 PolarHBondContact O-N 3.02Å; E590-K592 VanDerWaalsContact C-N 3.31Å; E590-K592 PolarHBondContact O-N 2.83Å; K592-E595 IonicContact NZ-OE2 2.82Å; K592-E595 PolarHBondContact NZ-OE2 3.15Å; K592-E595 PolarHBondContact O-N 2.92Å; K592-L596 PolarHBondContact O-N 3.33Å
593R95.3Very high92.8Very high87 Ų8759.3 Ų59.333%0.32831%0.306SS..Hα-helixtrans-64.4-47.4172.7-157.8-176.481.1-159.1-3.5111.2L540 Y543 Y589 E590 S591 E595 L596 E597L540-R593 HydrophobicContact CD1-CB 3.78Å; L540-R593 HydrophobicContact CD1-CG 4Å; Y543-R593 HydrophobicContact CD1-CG 4.11Å; Y589-R593 WeakPolarHBondContact O-CB 3.46Å; Y589-R593 PolarHBondContact O-N 3.01Å; E590-R593 WeakPolarHBondContact O-CB 3.31Å; E590-R593 PolarHBondContact O-N 2.91Å; E590-R593 VanDerWaalsContact O-N 3.13Å; S591-R593 VanDerWaalsContact C-N 3.31Å; S591-R593 PolarHBondContact O-N 2.83Å; R593-E595 VanDerWaalsContact C-N 3.32Å; R593-E595 PolarHBondContact O-N 2.96Å; R593-L596 PolarHBondContact O-N 2.61Å; R593-L596 VanDerWaalsContact O-N 3.13Å; R593-E597 IonicContact CZ-OE1 3.03Å; R593-E597 IonicContact NE-OE1 3.42Å; R593-E597 PolarHBondContact NE-OE1 3.49Å; R593-E597 IonicContact NH2-OE1 3.07Å; R593-E597 WeakPolarHBondContact O-CB 3.46Å; R593-E597 WeakPolarHBondContact O-CG 3.33Å; R593-E597 PolarHBondContact O-N 2.87Å
594E95.6Very high92.9Very high93 Ų9355.4 Ų55.444%0.43528%0.276SS..Hα-helixtrans-60.6-39.3176.5-72.1-174.5-167.300112.6E590 S591 L596 E597 K598E590-E594 PolarHBondContact O-N 3.09Å; S591-E594 PolarHBondContact O-N 3.47Å; E594-L596 VanDerWaalsContact C-N 3.31Å; E594-L596 PolarHBondContact O-N 3.2Å; E594-E597 PolarHBondContact O-N 2.76Å; E594-K598 WeakPolarHBondContact O-CB 3.44Å; E594-K598 WeakPolarHBondContact O-CD 3.4Å; E594-K598 WeakPolarHBondContact O-CG 3.37Å; E594-K598 PolarHBondContact O-N 2.78Å; E594-K598 IonicContact OE2-NZ 2.84Å; E594-K598 PolarHBondContact OE2-NZ 2.85Å
595E95Very high92.8Very high72 Ų7258.1 Ų58.134%0.33629%0.292SS..Hα-helixtrans-58.8-43.3174-78.7-179.3-154.300112K570 S591 K592 R593 V599K570-E595 IonicContact NZ-OE2 3.94Å; K570-E595 PolarHBondContact NZ-OE2 3.13Å; S591-E595 PolarHBondContact O-N 2.9Å; K592-E595 IonicContact NZ-OE2 2.82Å; K592-E595 PolarHBondContact NZ-OE2 3.15Å; K592-E595 PolarHBondContact O-N 2.92Å; R593-E595 VanDerWaalsContact C-N 3.32Å; R593-E595 PolarHBondContact O-N 2.96Å; E595-V599 PolarHBondContact O-N 3.45Å
596L94.9Very high92.5Very high0 Ų061 Ų610%030%0.303CS..Hα-helixtrans-70.4-43.8178.1-178.161.9000111Y543 V544 K570 T574 K592 R593 E594 K598 V599 C600Y543-L596 HydrophobicContact CD1-CD2 3.68Å; Y543-L596 HydrophobicContact CD1-CG 4.16Å; Y543-L596 HydrophobicContact CE1-CB 4.18Å; Y543-L596 HydrophobicContact CE1-CD2 3.75Å; Y543-L596 HydrophobicContact CE1-CG 3.71Å; V544-L596 HydrophobicContact CB-CD2 4.27Å; V544-L596 HydrophobicContact CG2-CD2 3.41Å; V544-L596 VanDerWaalsContact CG2-CD2 3.41Å; K570-L596 HydrophobicContact CB-CD1 3.98Å; K570-L596 HydrophobicContact CG-CD1 3.52Å; T574-L596 HydrophobicContact CG2-CD2 4.48Å; K592-L596 PolarHBondContact O-N 3.33Å; R593-L596 PolarHBondContact O-N 2.61Å; R593-L596 VanDerWaalsContact O-N 3.13Å; E594-L596 VanDerWaalsContact C-N 3.31Å; E594-L596 PolarHBondContact O-N 3.2Å; L596-K598 VanDerWaalsContact C-N 3.32Å; L596-K598 PolarHBondContact O-N 3.42Å; L596-V599 PolarHBondContact O-N 2.86Å; L596-V599 VanDerWaalsContact O-N 3.1Å; L596-C600 VanDerWaalsContact CD1-SG 3.6Å; L596-C600 PolarHBondContact O-N 2.78Å; L596-C600 PolarHBondContact O-SG 2.9Å
597E94.5Very high91.9Very high60 Ų6058.5 Ų58.528%0.2829%0.294SS..Hα-helixtrans-57.2-42.1174.1-74172.3-168.600112.2Y543 R593 E594 V599 C600 A601Y543-E597 HydrophobicContact CD1-CG 4.47Å; Y543-E597 HydrophobicContact CE1-CG 3.64Å; Y543-E597 HydrophobicContact CE2-CG 4.32Å; Y543-E597 WeakPolarHBondContact OH-CG 3.2Å; R593-E597 IonicContact CZ-OE1 3.03Å; R593-E597 IonicContact NE-OE1 3.42Å; R593-E597 PolarHBondContact NE-OE1 3.49Å; R593-E597 IonicContact NH2-OE1 3.07Å; R593-E597 WeakPolarHBondContact O-CB 3.46Å; R593-E597 WeakPolarHBondContact O-CG 3.33Å; R593-E597 PolarHBondContact O-N 2.87Å; E594-E597 PolarHBondContact O-N 2.76Å; E597-V599 PolarHBondContact O-N 2.87Å; E597-C600 PolarHBondContact O-N 2.76Å; E597-A601 WeakPolarHBondContact O-CB 3Å; E597-A601 PolarHBondContact O-N 2.84Å
598K94.6Very high91.1Very high142 Ų14259.7 Ų59.762%0.61730%0.295SS*.Hα-helixtrans-60.9-28.5176.9-77.4164.1-171.6154.30113E594 L596 P602E594-K598 WeakPolarHBondContact O-CB 3.44Å; E594-K598 WeakPolarHBondContact O-CD 3.4Å; E594-K598 WeakPolarHBondContact O-CG 3.37Å; E594-K598 PolarHBondContact O-N 2.78Å; E594-K598 IonicContact OE2-NZ 2.84Å; E594-K598 PolarHBondContact OE2-NZ 2.85Å; L596-K598 VanDerWaalsContact C-N 3.32Å; L596-K598 PolarHBondContact O-N 3.42Å; K598-P602 VanDerWaalsContact O-CD 3.31Å; K598-P602 WeakPolarHBondContact O-CD 3.44Å; K598-P602 WeakPolarHBondContact O-CG 3.08Å
599V92.4Very high90.3Very high43 Ų4363.2 Ų63.226%0.26131%0.311SS..Hα-helixtrans-85-47.4175.61770000111V566 K570 E595 L596 E597 I603V566-V599 HydrophobicContact CG1-CG1 3.74Å; K570-V599 HydrophobicContact CB-CG1 4.38Å; K570-V599 HydrophobicContact CD-CG2 4.39Å; K570-V599 HydrophobicContact CG-CB 4.35Å; K570-V599 HydrophobicContact CG-CG1 4.47Å; K570-V599 HydrophobicContact CG-CG2 4.2Å; E595-V599 PolarHBondContact O-N 3.45Å; L596-V599 PolarHBondContact O-N 2.86Å; L596-V599 VanDerWaalsContact O-N 3.1Å; E597-V599 PolarHBondContact O-N 2.87Å; V599-I603 WeakPolarHBondContact O-CD1 3.29Å
600C91Very high88.9Confident0 Ų067.5 Ų67.50%035%0.346CS..Hα-helixtrans-76.2-42.3-172.6-61.40000113.4M547 L596 E597 I603 I604M547-C600 HydrophobicContact CE-CB 3.76Å; M547-C600 HydrophobicContact CG-CB 4.34Å; M547-C600 HydrophobicContact SD-CB 3.79Å; L596-C600 VanDerWaalsContact CD1-SG 3.6Å; L596-C600 PolarHBondContact O-N 2.78Å; L596-C600 PolarHBondContact O-SG 2.9Å; E597-C600 PolarHBondContact O-N 2.76Å; C600-I603 PolarHBondContact O-N 3.39Å; C600-I604 WeakPolarHBondContact O-CG1 3.28Å; C600-I604 PolarHBondContact O-N 3.11Å
601A89.8Confident87.1Confident45 Ų4566.9 Ų66.937%0.37236%0.361SS..Hα-helixtrans-62.3-42.5-170.800000113.9E597 I603 I604 T605E597-A601 WeakPolarHBondContact O-CB 3Å; E597-A601 PolarHBondContact O-N 2.84Å; A601-I603 VanDerWaalsContact C-N 3.34Å; A601-I603 PolarHBondContact O-N 3.44Å; A601-I604 PolarHBondContact O-N 2.92Å; A601-T605 VanDerWaalsContact O-CB 3.24Å; A601-T605 WeakPolarHBondContact O-CB 3.37Å; A601-T605 PolarHBondContact O-N 3.27Å; A601-T605 PolarHBondContact O-OG1 2.85Å
602P90Very high84.3Confident65 Ų6566.7 Ų66.742%0.42237%0.368SS..Hα-helixtrans-64.7-36.6177.2-22.834.7000113.2K598 K606K598-P602 VanDerWaalsContact O-CD 3.31Å; K598-P602 WeakPolarHBondContact O-CD 3.44Å; K598-P602 WeakPolarHBondContact O-CG 3.08Å; P602-K606 VanDerWaalsContact O-CG 3.3Å; P602-K606 WeakPolarHBondContact O-CG 3.32Å; P602-K606 PolarHBondContact O-N 3.47Å
603I87.4Confident81Confident18 Ų1873.5 Ų73.59%0.09240%0.402CS..Hα-helixtrans-68.4-49.6178.9-63.8170000109.4I559 D563 V566 I567 V599 C600 A601 T605 K606 V607I559-I603 HydrophobicContact CG2-CG2 3.98Å; D563-I603 HydrophobicContact CB-CD1 4.15Å; D563-I603 HydrophobicContact CB-CG1 4.37Å; D563-I603 HydrophobicContact CB-CG2 3.78Å; V566-I603 HydrophobicContact CG1-CD1 4.49Å; I567-I603 HydrophobicContact CD1-CB 4.06Å; I567-I603 HydrophobicContact CD1-CD1 3.98Å; I567-I603 HydrophobicContact CD1-CG2 3.75Å; I567-I603 HydrophobicContact CG1-CD1 3.75Å; V599-I603 WeakPolarHBondContact O-CD1 3.29Å; C600-I603 PolarHBondContact O-N 3.39Å; A601-I603 VanDerWaalsContact C-N 3.34Å; A601-I603 PolarHBondContact O-N 3.44Å; I603-T605 PolarHBondContact O-N 2.98Å; I603-K606 PolarHBondContact O-N 3.35Å; I603-V607 VanDerWaalsContact O-CG2 3.24Å; I603-V607 WeakPolarHBondContact O-CG2 3.5Å; I603-V607 PolarHBondContact O-N 2.98Å
604I85.3Confident78.1Confident22 Ų2275.5 Ų75.511%0.11343%0.426CS..Hα-helixtrans-63.9-42179.6-71.7178000111.5M547 L555 C600 A601 K606 V607 Y608M547-I604 HydrophobicContact CE-CD1 3.52Å; M547-I604 HydrophobicContact SD-CD1 3.33Å; M547-I604 WeakPolarHBondContact SD-CD1 3.44Å; L555-I604 HydrophobicContact CD1-CD1 4.48Å; L555-I604 HydrophobicContact CD1-CG1 4.31Å; C600-I604 WeakPolarHBondContact O-CG1 3.28Å; C600-I604 PolarHBondContact O-N 3.11Å; A601-I604 PolarHBondContact O-N 2.92Å; I604-K606 VanDerWaalsContact C-N 3.32Å; I604-K606 PolarHBondContact O-N 3.28Å; I604-V607 WeakPolarHBondContact O-CB 3.31Å; I604-V607 PolarHBondContact O-N 2.64Å; I604-V607 VanDerWaalsContact O-N 3.12Å; I604-Y608 HydrophobicContact CG2-CD2 3.59Å; I604-Y608 HydrophobicContact CG2-CE2 3.52Å; I604-Y608 WeakPolarHBondContact O-CD2 3.28Å; I604-Y608 PolarHBondContact O-N 2.86Å
605T86.9Confident74.9Confident66 Ų6674.3 Ų74.341%0.40544%0.439SS..Hα-helixtrans-60.8-41.4178.4-59.20000111.5A601 I603 V607 Y608 Q609A601-T605 VanDerWaalsContact O-CB 3.24Å; A601-T605 WeakPolarHBondContact O-CB 3.37Å; A601-T605 PolarHBondContact O-N 3.27Å; A601-T605 PolarHBondContact O-OG1 2.85Å; I603-T605 PolarHBondContact O-N 2.98Å; T605-V607 VanDerWaalsContact C-N 3.3Å; T605-V607 PolarHBondContact O-N 3.23Å; T605-Y608 PolarHBondContact O-N 3.27Å; T605-Q609 HydrophobicContact CG2-CG 4.23Å; T605-Q609 WeakPolarHBondContact O-CB 3.21Å; T605-Q609 WeakPolarHBondContact O-CG 3.47Å; T605-Q609 PolarHBondContact O-N 2.83Å
606K84.5Confident71.7Confident135 Ų13574.4 Ų74.459%0.58746%0.46SS*.Hα-helixtrans-60.5-39.3175.2-76.8173.8-178.4178.90112.2P602 I603 I604 Q609 A610P602-K606 VanDerWaalsContact O-CG 3.3Å; P602-K606 WeakPolarHBondContact O-CG 3.32Å; P602-K606 PolarHBondContact O-N 3.47Å; I603-K606 PolarHBondContact O-N 3.35Å; I604-K606 VanDerWaalsContact C-N 3.32Å; I604-K606 PolarHBondContact O-N 3.28Å; K606-Q609 PolarHBondContact O-N 2.9Å; K606-A610 VanDerWaalsContact O-CB 3.25Å; K606-A610 WeakPolarHBondContact O-CB 3.36Å; K606-A610 PolarHBondContact O-N 3.36Å
607V80.4Confident68.4Low21 Ų2182.5 Ų82.513%0.12750%0.5CS..Hα-helixtrans-66.1-44.3179.5177.90000110.9L555 K558 I559 I603 I604 T605 G611L555-V607 HydrophobicContact CD2-CG1 4.29Å; K558-V607 HydrophobicContact CB-CG1 3.69Å; K558-V607 HydrophobicContact CD-CG1 4.49Å; I559-V607 HydrophobicContact CD1-CG2 4.47Å; I559-V607 HydrophobicContact CG1-CG2 3.54Å; I603-V607 VanDerWaalsContact O-CG2 3.24Å; I603-V607 WeakPolarHBondContact O-CG2 3.5Å; I603-V607 PolarHBondContact O-N 2.98Å; I604-V607 WeakPolarHBondContact O-CB 3.31Å; I604-V607 PolarHBondContact O-N 2.64Å; I604-V607 VanDerWaalsContact O-N 3.12Å; T605-V607 VanDerWaalsContact C-N 3.3Å; T605-V607 PolarHBondContact O-N 3.23Å; V607-G611 PolarHBondContact O-N 2.79Å; V607-G611 VanDerWaalsContact O-N 3.15Å
608Y78Confident65.2Low146 Ų14688.7 Ų88.757%0.57353%0.528SS*.Hα-helixtrans-69.3-38176.3-79.5-72.6000112.9I604 T605 G611 G612I604-Y608 HydrophobicContact CG2-CD2 3.59Å; I604-Y608 HydrophobicContact CG2-CE2 3.52Å; I604-Y608 WeakPolarHBondContact O-CD2 3.28Å; I604-Y608 PolarHBondContact O-N 2.86Å; T605-Y608 PolarHBondContact O-N 3.27Å; Y608-G611 PolarHBondContact O-N 2.91Å; Y608-G612 PolarHBondContact O-N 2.97Å
609Q77.4Confident61.8Low148 Ų14890.5 Ų90.569%0.69254%0.539SS*.Hα-helixtrans-68-36.5175.8-75.1179.4-11.300112.4T605 K606 G611 G612T605-Q609 HydrophobicContact CG2-CG 4.23Å; T605-Q609 WeakPolarHBondContact O-CB 3.21Å; T605-Q609 WeakPolarHBondContact O-CG 3.47Å; T605-Q609 PolarHBondContact O-N 2.83Å; K606-Q609 PolarHBondContact O-N 2.9Å; Q609-G611 PolarHBondContact O-N 2.77Å; Q609-G612 PolarHBondContact O-N 3.32Å
610A65.7Low58.9Low89 Ų8992.6 Ų92.674%0.73656%0.561SS**Hα-helixtrans-68.4-22.6172.500000112.7K606K606-A610 VanDerWaalsContact O-CB 3.25Å; K606-A610 WeakPolarHBondContact O-CB 3.36Å; K606-A610 PolarHBondContact O-N 3.36Å
611G58.1Low55.9Low64 Ų6498.4 Ų98.466%0.6660%0.601SS**THydrogen-bonded Turntrans-85.2-1.6175.700000115.5V607 Y608 Q609 M613V607-G611 PolarHBondContact O-N 2.79Å; V607-G611 VanDerWaalsContact O-N 3.15Å; Y608-G611 PolarHBondContact O-N 2.91Å; Q609-G611 PolarHBondContact O-N 2.77Å; G611-M613 PolarHBondContact O-N 3.35Å
612G37.3Very low53Low54 Ų54100 Ų10056%0.55762%0.622SS**  trans-83.3109.2178.800000113.3Y608 Q609Y608-G612 PolarHBondContact O-N 2.97Å; Q609-G612 PolarHBondContact O-N 3.32Å
613M27.9Very low50.1Low173 Ų173102.2 Ų102.285%0.85265%0.646SS**  trans79.2132.4175.9-70.9-80.2-116.600115.8G611G611-M613 PolarHBondContact O-N 3.35Å
614P33.9Very low47.3Very low129 Ų129104.9 Ų104.984%0.83868%0.678SS**  -124.6151.550.137.2-23.9000116
615G27.3Very low44.6Very low68 Ų68107.8 Ų107.870%0.70171%0.713SS**  trans-60.4148.3175.100000114.4
616G28.9Very low41.9Very low75 Ų75108.2 Ų108.277%0.77373%0.731SS**  trans-156.772.3175.700000108.7H618G616-H618 PolarHBondContact O-N 3.04Å
617M24.7Very low39.5Very low170 Ų170106.7 Ų106.784%0.83774%0.737SS**  trans-29.1116.1160.1-177.2169.4161.300112.3
618H27.8Very low37.4Very low189 Ų189109.5 Ų109.588%0.87577%0.77SS**  trans-152.4112.2146.3-99.2-63.8000110.3G616G616-H618 PolarHBondContact O-N 3.04Å
619E23.9Very low35.3Very low180 Ų180111.9 Ų111.984%0.84178%0.783SS**  trans-56130.2162.5-64.6172.1130.800110.6
620A31.6Very low33.2Very low87 Ų87107.4 Ų107.472%0.71978%0.776SS**  trans-169.299.9139.600000109.4
621S27.2Very low31.9Very low123 Ų123109.5 Ų109.586%0.8678%0.783SS**  trans28.8124.6134.558.10000119.8
622G28.7Very low30.8Very low77 Ų77112.7 Ų112.779%0.79479%0.79SS**  trans144.396.5146.800000114.6
623A28.7Very low30.9Very low113 Ų113117.8 Ų117.893%0.93480%0.802SS**  trans-54.8140.9169.900000112.8
624G28.2Very low31.3Very low74 Ų74118 Ų11876%0.76380%0.801SS**  trans-17775.3171.800000110.6G626G624-G626 PolarHBondContact O-N 3.39Å
625G28.4Very low31.3Very low82 Ų82120.9 Ų120.985%0.84580%0.804SS**  trans-63.898.2174.300000110.9S627G625-S627 PolarHBondContact O-N 3.09Å
626G30.2Very low32.1Very low76 Ų76124.3 Ų124.378%0.78481%0.81SS**  trans-79.488.2167.600000109.6G624 G628G624-G626 PolarHBondContact O-N 3.39Å; G626-G628 PolarHBondContact O-N 2.86Å
627S34.8Very low32.6Very low103 Ų103132 Ų13272%0.7283%0.834SS**  trans-59.2102.9160.754.40000108.1G625 K629G625-S627 PolarHBondContact O-N 3.09Å; S627-K629 PolarHBondContact O-N 3.3Å
628G36.3Very low33Very low79 Ų79130.1 Ų130.181%0.81483%0.834SS**  trans-58.110317100000108.9G626 G630G626-G628 PolarHBondContact O-N 2.86Å; G628-G630 PolarHBondContact O-N 3.47Å
629K34Very low33.3Very low197 Ų197127 Ų12786%0.85783%0.832SS**PPolyproline II helixtrans-61.6118.9172-78.9-176.7172.7-176.80107.7S627S627-K629 PolarHBondContact O-N 3.3Å
630G33.7Very low33.8Very low53 Ų53124.1 Ų124.155%0.54683%0.831SS.*PPolyproline II helixtrans-59.9167.2167.700000111.9G628 T632G628-G630 PolarHBondContact O-N 3.47Å; G630-T632 PolarHBondContact O-N 3.08Å
631P38.1Very low33.9Very low133 Ų133126.2 Ų126.286%0.86484%0.838SS**PPolyproline II helixtrans-62.3126.2-170.423.5-31.8000111.8
632T35.7Very low34.4Very low132 Ų132126.4 Ų126.481%0.8184%0.836SS**PPolyproline II helixtrans-80.4125.4170.637.40000109.9G630G630-T632 PolarHBondContact O-N 3.08Å
633I39.1Very low34.7Very low160 Ų160129.7 Ų129.782%0.82184%0.839SS**PPolyproline II helixtrans-85.2119.9171.6-64.5165000107E635I633-E635 PolarHBondContact O-N 2.77Å
634E35.7Very low35.2Very low177 Ų177130.9 Ų130.983%0.82783%0.832SS**PPolyproline II helixtrans-77.2116.6170.4-78.4-176.815700109V636E634-V636 PolarHBondContact O-N 2.94Å
635E34.7Very low35.7Very low191 Ų191135.3 Ų135.389%0.89384%0.838SS**PPolyproline II helixtrans-67.6123.7166.3-69.1-179.916100108.4I633I633-E635 PolarHBondContact O-N 2.77Å
636V42.7Very low36.3Very low139 Ų139139.8 Ų139.884%0.84284%0.837SS**PPolyproline II helixtrans-99.3123.5171.8-169.60000107.3E634E634-V636 PolarHBondContact O-N 2.94Å
637D40.7Very low36.9Very low237 Ų237145.5 Ų145.5100%1.26784%0.842SS**  trans-42.80-176.5-70-43000116.5

Retrieved 637 of 637 residues in 1029.5 ms (Link to these results)

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