A0A096N0J0_PAPAN Loading...

UEV and lactate/malate dehyrogenase domains

AlphaFold DB (A0A2I3LUW8), UniProt , Accession A0A096N0J0, Species PAPAN (Papio anubis, Olive baboon), Gene UEVLD, Length 470 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
1M49.2Very low79.7Confident241 Ų241102.5 Ų102.5100%1.18748%0.48SS*.  0128.30-77.8173.8-172.100106.9
2E64Low80.4Confident192 Ų19294 Ų9490%0.89744%0.44SS*.  trans-65.9137.1176.7-152.5167.9-173.400109D4E2-D4 PolarHBondContact O-N 2.79Å
3F77.5Confident80.7Confident29 Ų2991.4 Ų91.413%0.12745%0.454CS..  trans-69.2117.3-180-172.9-101.1000109.2C5 L8 L25 K26 N29 Y37 F55F3-C5 VanDerWaalsContact C-N 3.26Å; F3-C5 PolarHBondContact O-N 2.78Å; F3-C5 PolarHBondContact O-SG 3.11Å; F3-C5 VanDerWaalsContact O-SG 3.39Å; F3-L8 HydrophobicContact CE1-CD2 3.65Å; F3-L8 HydrophobicContact CZ-CD2 3.68Å; F3-L25 HydrophobicContact CE1-CB 4.46Å; F3-L25 HydrophobicContact CZ-CB 3.97Å; F3-K26 HydrophobicContact CD1-CB 4.16Å; F3-K26 HydrophobicContact CD1-CG 4.42Å; F3-K26 HydrophobicContact CE1-CB 4.29Å; F3-N29 HydrophobicContact CB-CB 4.45Å; F3-N29 HydrophobicContact CD2-CB 3.57Å; F3-N29 VanDerWaalsContact CD2-CG 3.41Å; F3-N29 HydrophobicContact CE2-CB 3.95Å; F3-N29 HydrophobicContact CG-CB 4.1Å; F3-Y37 HydrophobicContact CD2-CE1 4.43Å; F3-Y37 AromaticContact CE2-CD1 3.89Å; F3-Y37 HydrophobicContact CE2-CD1 3.89Å; F3-Y37 AromaticContact CE2-CE1 3.87Å; F3-Y37 HydrophobicContact CE2-CE1 3.87Å; F3-Y37 HydrophobicContact CZ-CD1 4.06Å; F3-Y37 HydrophobicContact CZ-CE1 4.03Å; F3-F55 HydrophobicContact CE2-CE2 4.34Å
4D84.4Confident80.9Confident83 Ų8397.7 Ų97.744%0.44448%0.477SS..  trans-73.279.4-176.4173.825.9000111.5E2 E6 G7 L8 Y37E2-D4 PolarHBondContact O-N 2.79Å; D4-E6 PolarHBondContact O-N 3.44Å; D4-E6 PolarHBondContact OD1-N 2.99Å; D4-G7 PolarHBondContact OD1-N 3.4Å; D4-G7 VanDerWaalsContact OD2-CA 3.32Å; D4-G7 WeakPolarHBondContact OD2-CA 3.28Å; D4-G7 PolarHBondContact OD2-N 2.8Å; D4-L8 WeakPolarHBondContact O-CB 3.24Å; D4-L8 PolarHBondContact O-N 2.82Å; D4-L8 VanDerWaalsContact O-N 3.08Å; D4-Y37 WeakPolarHBondContact CB-OH 3.28Å; D4-Y37 PolarHBondContact O-OH 3.09Å; D4-Y37 VanDerWaalsContact O-OH 3.12Å
5C85Confident81.5Confident24 Ų2492.4 Ų92.416%0.16245%0.45CS..Hα-helixtrans-61.1-32.5178.5-60.70000111.7F3 R9 V22F3-C5 VanDerWaalsContact C-N 3.26Å; F3-C5 PolarHBondContact O-N 2.78Å; F3-C5 PolarHBondContact O-SG 3.11Å; F3-C5 VanDerWaalsContact O-SG 3.39Å; C5-R9 VanDerWaalsContact O-CG 3.28Å; C5-R9 WeakPolarHBondContact O-CG 3.35Å; C5-R9 PolarHBondContact O-N 3.16Å; C5-V22 HydrophobicContact CB-CG1 4.16Å
6E83.4Confident81.9Confident145 Ų14596.4 Ų96.468%0.67847%0.465SS*.Hα-helixtrans-79.2-42.9-173.7-162.3168.8-163.300111.4D4 L8 R9 R10D4-E6 PolarHBondContact O-N 3.44Å; D4-E6 PolarHBondContact OD1-N 2.99Å; E6-L8 VanDerWaalsContact C-N 3.35Å; E6-R9 PolarHBondContact O-N 2.66Å; E6-R10 WeakPolarHBondContact O-CG 3.46Å; E6-R10 PolarHBondContact O-N 3.32Å; E6-R10 VanDerWaalsContact O-N 3.14Å
7G84.4Confident82.4Confident16 Ų1695.2 Ų95.217%0.16546%0.457CS..Hα-helixtrans-61.6-41.2169.600000112.3D4 R9 R10 L11D4-G7 PolarHBondContact OD1-N 3.4Å; D4-G7 VanDerWaalsContact OD2-CA 3.32Å; D4-G7 WeakPolarHBondContact OD2-CA 3.28Å; D4-G7 PolarHBondContact OD2-N 2.8Å; G7-R9 PolarHBondContact O-N 3.38Å; G7-R10 WeakPolarHBondContact O-CB 3.28Å; G7-R10 PolarHBondContact O-N 3.37Å; G7-R10 VanDerWaalsContact O-N 3.17Å; G7-L11 WeakPolarHBondContact O-CG 3.26Å; G7-L11 PolarHBondContact O-N 2.74Å; G7-L11 VanDerWaalsContact O-N 3.11Å
8L87.5Confident82.9Confident0 Ų095.2 Ų95.20%045%0.451CS..Hα-helixtrans-62.9-41.8175.5-175.562000112.3F3 D4 E6 R10 L11 L12 V22 L25 Y37 L53F3-L8 HydrophobicContact CE1-CD2 3.65Å; F3-L8 HydrophobicContact CZ-CD2 3.68Å; D4-L8 WeakPolarHBondContact O-CB 3.24Å; D4-L8 PolarHBondContact O-N 2.82Å; D4-L8 VanDerWaalsContact O-N 3.08Å; E6-L8 VanDerWaalsContact C-N 3.35Å; L8-R10 VanDerWaalsContact C-N 3.26Å; L8-R10 PolarHBondContact O-N 3.28Å; L8-L11 PolarHBondContact O-N 3.4Å; L8-L12 HydrophobicContact CD1-CD1 3.97Å; L8-L12 HydrophobicContact CD1-CG 4.09Å; L8-L12 HydrophobicContact CD2-CD1 4.48Å; L8-L12 HydrophobicContact CG-CD1 3.88Å; L8-L12 HydrophobicContact CG-CG 4.35Å; L8-L12 WeakPolarHBondContact O-CB 2.72Å; L8-L12 WeakPolarHBondContact O-CG 3.39Å; L8-L12 PolarHBondContact O-N 3Å; L8-V22 HydrophobicContact CD2-CB 4.49Å; L8-V22 HydrophobicContact CD2-CG1 4.42Å; L8-V22 HydrophobicContact CD2-CG2 4.05Å; L8-V22 HydrophobicContact CG-CG2 4.06Å; L8-L25 HydrophobicContact CD2-CB 4.31Å; L8-L25 HydrophobicContact CD2-CD1 3.97Å; L8-Y37 HydrophobicContact CB-CE2 4.35Å; L8-Y37 HydrophobicContact CD1-CD1 4.4Å; L8-Y37 HydrophobicContact CD1-CD2 3.85Å; L8-Y37 HydrophobicContact CD1-CE2 4.1Å; L8-Y37 HydrophobicContact CD1-CG 4.02Å; L8-L53 HydrophobicContact CD1-CD1 3.58Å; L8-L53 HydrophobicContact CD1-CD2 3.94Å; L8-L53 HydrophobicContact CD1-CG 4.43Å
9R88.4Confident83.2Confident100 Ų10094.1 Ų94.138%0.37745%0.449SS..Hα-helixtrans-59.3-37174.1-79.2176.4-172.7132-0112.3C5 E6 G7 R18 D19 V22C5-R9 VanDerWaalsContact O-CG 3.28Å; C5-R9 WeakPolarHBondContact O-CG 3.35Å; C5-R9 PolarHBondContact O-N 3.16Å; E6-R9 PolarHBondContact O-N 2.66Å; G7-R9 PolarHBondContact O-N 3.38Å; R9-R18 VanDerWaalsContact O-CD 3.31Å; R9-R18 WeakPolarHBondContact O-CD 3.24Å; R9-D19 IonicContact NE-OD1 2.71Å; R9-V22 HydrophobicContact CG-CB 4.5Å; R9-V22 HydrophobicContact CG-CG1 4.3Å; R9-V22 HydrophobicContact CG-CG2 3.8Å
10R86.4Confident83.6Confident215 Ų21593 Ų9381%0.81145%0.445SS*.Hα-helixtrans-67.1-41.1177.1-68.7177.572.8-177.62.8111.9E6 G7 L8E6-R10 WeakPolarHBondContact O-CG 3.46Å; E6-R10 PolarHBondContact O-N 3.32Å; E6-R10 VanDerWaalsContact O-N 3.14Å; G7-R10 WeakPolarHBondContact O-CB 3.28Å; G7-R10 PolarHBondContact O-N 3.37Å; G7-R10 VanDerWaalsContact O-N 3.17Å; L8-R10 VanDerWaalsContact C-N 3.26Å; L8-R10 PolarHBondContact O-N 3.28Å
11L86.5Confident84Confident83 Ų8388.5 Ų88.544%0.43542%0.424SS..Hα-helixtrans-67.6-36.5178.7-67172.6000112.5G7 L8 G13 Y37 M39G7-L11 WeakPolarHBondContact O-CG 3.26Å; G7-L11 PolarHBondContact O-N 2.74Å; G7-L11 VanDerWaalsContact O-N 3.11Å; L8-L11 PolarHBondContact O-N 3.4Å; L11-G13 PolarHBondContact O-N 2.98Å; L11-Y37 HydrophobicContact CD1-CD2 4.06Å; L11-Y37 HydrophobicContact CD1-CE2 3.85Å; L11-M39 HydrophobicContact CB-CG 3.98Å; L11-M39 HydrophobicContact CB-SD 4.31Å; L11-M39 HydrophobicContact CD1-CG 4.28Å; L11-M39 HydrophobicContact CD2-CG 3.93Å; L11-M39 HydrophobicContact CG-CG 4.28Å
12L88.3Confident86Confident0 Ų077.1 Ų77.10%037%0.367CS..THydrogen-bonded Turntrans-83.622.2-178.4-65.2-179.2000114L8 K14 Y15 R18 T21 V22 L53L8-L12 HydrophobicContact CD1-CD1 3.97Å; L8-L12 HydrophobicContact CD1-CG 4.09Å; L8-L12 HydrophobicContact CD2-CD1 4.48Å; L8-L12 HydrophobicContact CG-CD1 3.88Å; L8-L12 HydrophobicContact CG-CG 4.35Å; L8-L12 WeakPolarHBondContact O-CB 2.72Å; L8-L12 WeakPolarHBondContact O-CG 3.39Å; L8-L12 PolarHBondContact O-N 3Å; L12-K14 PolarHBondContact O-N 3.29Å; L12-Y15 HydrophobicContact CB-CD2 4.29Å; L12-Y15 HydrophobicContact CB-CG 4.24Å; L12-Y15 HydrophobicContact CD2-CD1 3.83Å; L12-Y15 HydrophobicContact CD2-CD2 3.65Å; L12-Y15 HydrophobicContact CD2-CE1 3.81Å; L12-Y15 HydrophobicContact CD2-CE2 3.63Å; L12-Y15 HydrophobicContact CD2-CG 3.79Å; L12-Y15 WeakPolarHBondContact O-CB 3.43Å; L12-Y15 PolarHBondContact O-N 2.9Å; L12-R18 HydrophobicContact CB-CG 3.77Å; L12-T21 HydrophobicContact CD1-CG2 3.89Å; L12-V22 HydrophobicContact CD1-CG2 3.85Å; L12-L53 HydrophobicContact CD2-CB 3.89Å; L12-L53 HydrophobicContact CD2-CD1 4.1Å; L12-L53 HydrophobicContact CD2-CD2 4.15Å; L12-L53 HydrophobicContact CD2-CG 4.27Å
13G83.4Confident87.3Confident60 Ų6073.8 Ų73.862%0.61935%0.352SS*.THydrogen-bonded Turntrans-58.1-23.1-176.700000115.2L11L11-G13 PolarHBondContact O-N 2.98Å
14K83.5Confident87.9Confident180 Ų18073.2 Ų73.278%0.78335%0.35SS*.THydrogen-bonded Turntrans-92.5-4177.6-62.9-179.8-178.3174.10114L12L12-K14 PolarHBondContact O-N 3.29Å
15Y90.9Very high88.2Confident18 Ų1869.3 Ų69.37%0.07133%0.329CS..  trans-83.7134.9-175.4-80.7-127.7000110.8L12 F17 L52 L53 I76 L77 D78L12-Y15 HydrophobicContact CB-CD2 4.29Å; L12-Y15 HydrophobicContact CB-CG 4.24Å; L12-Y15 HydrophobicContact CD2-CD1 3.83Å; L12-Y15 HydrophobicContact CD2-CD2 3.65Å; L12-Y15 HydrophobicContact CD2-CE1 3.81Å; L12-Y15 HydrophobicContact CD2-CE2 3.63Å; L12-Y15 HydrophobicContact CD2-CG 3.79Å; L12-Y15 WeakPolarHBondContact O-CB 3.43Å; L12-Y15 PolarHBondContact O-N 2.9Å; Y15-F17 VanDerWaalsContact C-N 3.34Å; Y15-F17 PolarHBondContact O-N 3.29Å; Y15-L52 WeakPolarHBondContact OH-CA 3.25Å; Y15-L53 PolarHBondContact OH-N 3.46Å; Y15-I76 HydrophobicContact CE1-CB 4.49Å; Y15-I76 HydrophobicContact CE1-CG2 4.15Å; Y15-I76 WeakPolarHBondContact CE1-O 3.23Å; Y15-I76 PolarHBondContact OH-O 3.21Å; Y15-L77 VanDerWaalsContact CE1-C 3.48Å; Y15-L77 WeakPolarHBondContact CE1-O 3.33Å; Y15-D78 HydrophobicContact CD1-CB 4.42Å; Y15-D78 HydrophobicContact CD2-CB 4.26Å; Y15-D78 HydrophobicContact CE2-CB 4.37Å; Y15-D78 HydrophobicContact CG-CB 4.25Å
16K87.6Confident88.5Confident156 Ų15673.6 Ų73.668%0.67835%0.345SS*.THydrogen-bonded Turntrans-66.5-36-176.6-66.5-176.9-179.6-179.60112.5D78K16-D78 PolarHBondContact N-O 2.83Å
17F90.4Very high88.8Confident77 Ų7770.4 Ų70.434%0.33833%0.332SS..THydrogen-bonded Turntrans-122.252.7-177.7-47.1-77.5000111Y15 D19 L20 T21 H80 F82Y15-F17 VanDerWaalsContact C-N 3.34Å; Y15-F17 PolarHBondContact O-N 3.29Å; F17-D19 PolarHBondContact O-N 3Å; F17-L20 HydrophobicContact CB-CB 4.48Å; F17-L20 HydrophobicContact CB-CD1 4.33Å; F17-L20 PolarHBondContact O-N 3.11Å; F17-T21 PolarHBondContact O-N 3.24Å; F17-T21 PolarHBondContact O-OG1 2.88Å; F17-H80 WeakPolarHBondContact CB-O 3.34Å; F17-F82 HydrophobicContact CD1-CD2 4.15Å; F17-F82 AromaticContact CD1-CE2 3.65Å; F17-F82 HydrophobicContact CD1-CE2 3.65Å; F17-F82 AromaticContact CD2-CD2 3.52Å; F17-F82 HydrophobicContact CD2-CD2 3.52Å; F17-F82 AromaticContact CD2-CE2 3.9Å; F17-F82 HydrophobicContact CD2-CE2 3.9Å; F17-F82 HydrophobicContact CE1-CD2 4.03Å; F17-F82 AromaticContact CE1-CE2 3.62Å; F17-F82 HydrophobicContact CE1-CE2 3.62Å; F17-F82 AromaticContact CE2-CD2 3.38Å; F17-F82 HydrophobicContact CE2-CD2 3.38Å; F17-F82 AromaticContact CE2-CE2 3.87Å; F17-F82 HydrophobicContact CE2-CE2 3.87Å; F17-F82 HydrophobicContact CE2-CG 4.33Å; F17-F82 AromaticContact CG-CD2 3.9Å; F17-F82 HydrophobicContact CG-CD2 3.9Å; F17-F82 AromaticContact CG-CE2 3.78Å; F17-F82 HydrophobicContact CG-CE2 3.78Å; F17-F82 AromaticContact CZ-CD2 3.64Å; F17-F82 HydrophobicContact CZ-CD2 3.64Å; F17-F82 AromaticContact CZ-CE2 3.72Å; F17-F82 HydrophobicContact CZ-CE2 3.72Å
18R90.5Very high89.1Confident94 Ų9469.6 Ų69.636%0.35532%0.324SS..Hα-helixtrans-50.8-53.8-176.1179.4-170.569.9-161.9-7.5113R9 L12 L20 T21 V22R9-R18 VanDerWaalsContact O-CD 3.31Å; R9-R18 WeakPolarHBondContact O-CD 3.24Å; L12-R18 HydrophobicContact CB-CG 3.77Å; R18-L20 PolarHBondContact O-N 2.87Å; R18-T21 WeakPolarHBondContact O-CB 3.43Å; R18-T21 PolarHBondContact O-N 3.18Å; R18-T21 VanDerWaalsContact O-N 3.17Å; R18-V22 HydrophobicContact CG-CG2 4.41Å; R18-V22 WeakPolarHBondContact O-CG2 3.49Å; R18-V22 PolarHBondContact O-N 3.04Å
19D89.3Confident89.2Confident74 Ų7471 Ų7140%0.39633%0.332SS..Hα-helixtrans-68.8-37.3-169.2-61.1-36000111.5R9 F17 V22 E23R9-D19 IonicContact NE-OD1 2.71Å; F17-D19 PolarHBondContact O-N 3Å; D19-V22 PolarHBondContact O-N 3.19Å; D19-E23 WeakPolarHBondContact O-CG 3.38Å; D19-E23 PolarHBondContact O-N 3.47Å
20L90.9Very high89.2Confident72 Ų7271.2 Ų71.238%0.37734%0.344SS..Hα-helixtrans-62.9-42171.7-65.6176.5000112.2F17 R18 V22 E23 E24 P81 F82F17-L20 HydrophobicContact CB-CB 4.48Å; F17-L20 HydrophobicContact CB-CD1 4.33Å; F17-L20 PolarHBondContact O-N 3.11Å; R18-L20 PolarHBondContact O-N 2.87Å; L20-V22 VanDerWaalsContact C-N 3.34Å; L20-V22 PolarHBondContact O-N 3.33Å; L20-E23 PolarHBondContact O-N 3.16Å; L20-E24 WeakPolarHBondContact O-CB 3.29Å; L20-E24 PolarHBondContact O-N 3.12Å; L20-P81 HydrophobicContact CB-CG 4.11Å; L20-P81 HydrophobicContact CD1-CG 4.36Å; L20-F82 HydrophobicContact CD1-CE2 4.42Å
21T91.4Very high89.2Confident0 Ų066.5 Ų66.50%033%0.329CS..Hα-helixtrans-63-40.9176.6-59.60000111.5L12 F17 R18 E24 L25 I76 H80L12-T21 HydrophobicContact CD1-CG2 3.89Å; F17-T21 PolarHBondContact O-N 3.24Å; F17-T21 PolarHBondContact O-OG1 2.88Å; R18-T21 WeakPolarHBondContact O-CB 3.43Å; R18-T21 PolarHBondContact O-N 3.18Å; R18-T21 VanDerWaalsContact O-N 3.17Å; T21-E24 PolarHBondContact O-N 2.95Å; T21-L25 HydrophobicContact CG2-CD1 3.93Å; T21-L25 HydrophobicContact CG2-CG 4.45Å; T21-L25 WeakPolarHBondContact O-CB 3.43Å; T21-L25 VanDerWaalsContact O-CG 3.29Å; T21-L25 WeakPolarHBondContact O-CG 3.19Å; T21-L25 PolarHBondContact O-N 3.21Å; T21-I76 HydrophobicContact CG2-CG2 3.93Å; T21-H80 PolarHBondContact OG1-O 2.85Å
22V92.3Very high89.4Confident1 Ų163.9 Ų63.91%0.00632%0.315CS..Hα-helixtrans-66.4-42.6178.5172.40000111.1C5 L8 R9 L12 R18 D19 L20 L25 K26C5-V22 HydrophobicContact CB-CG1 4.16Å; L8-V22 HydrophobicContact CD2-CB 4.49Å; L8-V22 HydrophobicContact CD2-CG1 4.42Å; L8-V22 HydrophobicContact CD2-CG2 4.05Å; L8-V22 HydrophobicContact CG-CG2 4.06Å; R9-V22 HydrophobicContact CG-CB 4.5Å; R9-V22 HydrophobicContact CG-CG1 4.3Å; R9-V22 HydrophobicContact CG-CG2 3.8Å; L12-V22 HydrophobicContact CD1-CG2 3.85Å; R18-V22 HydrophobicContact CG-CG2 4.41Å; R18-V22 WeakPolarHBondContact O-CG2 3.49Å; R18-V22 PolarHBondContact O-N 3.04Å; D19-V22 PolarHBondContact O-N 3.19Å; L20-V22 VanDerWaalsContact C-N 3.34Å; L20-V22 PolarHBondContact O-N 3.33Å; V22-L25 PolarHBondContact O-N 2.94Å; V22-K26 VanDerWaalsContact O-CB 3.25Å; V22-K26 WeakPolarHBondContact O-CB 3.39Å; V22-K26 PolarHBondContact O-N 3.47Å
23E90.3Very high89.3Confident123 Ų12367.6 Ų67.658%0.57534%0.339SS*.Hα-helixtrans-62.5-42.5176-75.1-179.3179.300112.1D19 L20 K26 N27D19-E23 WeakPolarHBondContact O-CG 3.38Å; D19-E23 PolarHBondContact O-N 3.47Å; L20-E23 PolarHBondContact O-N 3.16Å; E23-K26 PolarHBondContact O-N 3.09Å; E23-N27 WeakPolarHBondContact O-CB 3.43Å; E23-N27 PolarHBondContact O-N 3.34Å
24E90.3Very high89.4Confident17 Ų1771.3 Ų71.38%0.07934%0.34CS..Hα-helixtrans-64.1-46.6177.5-174165-176.100111.8L20 T21 K26 N27 V28 H80 P81 V123 I124L20-E24 WeakPolarHBondContact O-CB 3.29Å; L20-E24 PolarHBondContact O-N 3.12Å; T21-E24 PolarHBondContact O-N 2.95Å; E24-K26 PolarHBondContact O-N 3.01Å; E24-N27 WeakPolarHBondContact O-CB 3.47Å; E24-N27 PolarHBondContact O-N 2.87Å; E24-N27 VanDerWaalsContact O-N 3.14Å; E24-V28 WeakPolarHBondContact O-CG2 3.49Å; E24-V28 PolarHBondContact O-N 2.96Å; E24-H80 IonicContact OE1-CE1 3.93Å; E24-H80 IonicContact OE1-NE2 3.55Å; E24-H80 IonicContact OE2-CE1 3.43Å; E24-H80 IonicContact OE2-NE2 2.83Å; E24-H80 PolarHBondContact OE2-NE2 3.18Å; E24-P81 WeakPolarHBondContact OE2-CB 3.39Å; E24-V123 WeakPolarHBondContact OE1-CA 3.38Å; E24-V123 WeakPolarHBondContact OE1-CB 3.15Å; E24-I124 HydrophobicContact CG-CD1 4.31Å; E24-I124 HydrophobicContact CG-CG1 4.43Å; E24-I124 WeakPolarHBondContact OE1-CG1 3.45Å; E24-I124 PolarHBondContact OE1-N 2.69Å
25L91.1Very high89.7Confident0 Ų063 Ų630%030%0.304CS..Hα-helixtrans-68.5-33.8178.4-66.7174.1000112.7F3 L8 T21 V22 N27 V28 N29 L53 F55 I124F3-L25 HydrophobicContact CE1-CB 4.46Å; F3-L25 HydrophobicContact CZ-CB 3.97Å; L8-L25 HydrophobicContact CD2-CB 4.31Å; L8-L25 HydrophobicContact CD2-CD1 3.97Å; T21-L25 HydrophobicContact CG2-CD1 3.93Å; T21-L25 HydrophobicContact CG2-CG 4.45Å; T21-L25 WeakPolarHBondContact O-CB 3.43Å; T21-L25 VanDerWaalsContact O-CG 3.29Å; T21-L25 WeakPolarHBondContact O-CG 3.19Å; T21-L25 PolarHBondContact O-N 3.21Å; V22-L25 PolarHBondContact O-N 2.94Å; L25-N27 VanDerWaalsContact C-N 3.29Å; L25-N27 PolarHBondContact O-N 3.35Å; L25-V28 PolarHBondContact O-N 2.94Å; L25-N29 PolarHBondContact O-N 2.98Å; L25-L53 HydrophobicContact CD1-CD2 3.3Å; L25-F55 HydrophobicContact CD2-CD1 3.75Å; L25-F55 HydrophobicContact CD2-CD2 4.39Å; L25-F55 HydrophobicContact CD2-CE1 3.83Å; L25-F55 HydrophobicContact CD2-CE2 4.44Å; L25-F55 HydrophobicContact CD2-CG 4.04Å; L25-F55 HydrophobicContact CD2-CZ 4.16Å; L25-I124 HydrophobicContact CD2-CD1 3.88Å
26K91.2Very high89.7Confident114 Ų11469.9 Ų69.950%0.49633%0.334SS..Hα-helixtrans-59.6-43.9170-176.6-174.9-178.5-179.10110.4F3 V22 E23 E24 N29 V30F3-K26 HydrophobicContact CD1-CB 4.16Å; F3-K26 HydrophobicContact CD1-CG 4.42Å; F3-K26 HydrophobicContact CE1-CB 4.29Å; V22-K26 VanDerWaalsContact O-CB 3.25Å; V22-K26 WeakPolarHBondContact O-CB 3.39Å; V22-K26 PolarHBondContact O-N 3.47Å; E23-K26 PolarHBondContact O-N 3.09Å; E24-K26 PolarHBondContact O-N 3.01Å; K26-N29 PolarHBondContact O-N 2.86Å; K26-V30 PolarHBondContact O-N 3.23Å
27N89.8Confident89.9Confident78 Ų7865.2 Ų65.242%0.41731%0.312SS..Hα-helixtrans-64.4-41.4176.7-165.113000111.6E23 E24 L25 N29 V30 F31E23-N27 WeakPolarHBondContact O-CB 3.43Å; E23-N27 PolarHBondContact O-N 3.34Å; E24-N27 WeakPolarHBondContact O-CB 3.47Å; E24-N27 PolarHBondContact O-N 2.87Å; E24-N27 VanDerWaalsContact O-N 3.14Å; L25-N27 VanDerWaalsContact C-N 3.29Å; L25-N27 PolarHBondContact O-N 3.35Å; N27-N29 VanDerWaalsContact C-N 3.3Å; N27-N29 PolarHBondContact O-N 3.11Å; N27-V30 WeakPolarHBondContact O-CB 3.38Å; N27-V30 PolarHBondContact O-N 2.82Å; N27-V30 VanDerWaalsContact O-N 3.16Å; N27-F31 WeakPolarHBondContact O-CD2 3.38Å; N27-F31 PolarHBondContact O-N 2.78Å; N27-F31 WeakPolarHBondContact OD1-CE2 3.35Å
28V90.8Very high89.9Confident0 Ų063.8 Ų63.80%031%0.312CS..Hα-helixtrans-59.9-41.2173.8-178.20000111.2E24 L25 V30 F31 F32 F55 I124 V125 I128E24-V28 WeakPolarHBondContact O-CG2 3.49Å; E24-V28 PolarHBondContact O-N 2.96Å; L25-V28 PolarHBondContact O-N 2.94Å; V28-V30 VanDerWaalsContact C-N 3.26Å; V28-V30 PolarHBondContact O-N 2.84Å; V28-F31 PolarHBondContact O-N 3.15Å; V28-F31 VanDerWaalsContact O-N 3.17Å; V28-F32 HydrophobicContact CG1-CB 4.43Å; V28-F32 HydrophobicContact CG1-CD2 4.19Å; V28-F32 PolarHBondContact O-N 2.93Å; V28-F55 HydrophobicContact CB-CE1 4.12Å; V28-F55 HydrophobicContact CG1-CE1 3.67Å; V28-F55 HydrophobicContact CG1-CZ 4.29Å; V28-I124 HydrophobicContact CG1-CG2 4.42Å; V28-I124 HydrophobicContact CG2-CB 3.74Å; V28-I124 HydrophobicContact CG2-CG2 3.57Å; V28-V125 HydrophobicContact CB-CG2 4.3Å; V28-V125 HydrophobicContact CG2-CG2 3.66Å; V28-I128 HydrophobicContact CG1-CD1 3.82Å
29N89.4Confident89.9Confident30 Ų3062.2 Ų62.216%0.1631%0.309CS..Hα-helixtrans-65.4-25.6178.6-171.677.3000113.7F3 L25 K26 N27 P33F3-N29 HydrophobicContact CB-CB 4.45Å; F3-N29 HydrophobicContact CD2-CB 3.57Å; F3-N29 VanDerWaalsContact CD2-CG 3.41Å; F3-N29 HydrophobicContact CE2-CB 3.95Å; F3-N29 HydrophobicContact CG-CB 4.1Å; L25-N29 PolarHBondContact O-N 2.98Å; K26-N29 PolarHBondContact O-N 2.86Å; N27-N29 VanDerWaalsContact C-N 3.3Å; N27-N29 PolarHBondContact O-N 3.11Å; N29-P33 WeakPolarHBondContact O-CA 3.45Å
30V89.3Confident89.9Confident104 Ų10461.7 Ų61.763%0.6331%0.307SS*.Hα-helixtrans-67.1-41.5173.2174.20000111.1K26 N27 V28K26-V30 PolarHBondContact O-N 3.23Å; N27-V30 WeakPolarHBondContact O-CB 3.38Å; N27-V30 PolarHBondContact O-N 2.82Å; N27-V30 VanDerWaalsContact O-N 3.16Å; V28-V30 VanDerWaalsContact C-N 3.26Å; V28-V30 PolarHBondContact O-N 2.84Å
31F86.9Confident90Very high115 Ų11561.7 Ų61.750%0.50431%0.31SS..Hα-helixtrans-87.2-30.4-179.1-68.3-74.7000113.6N27 V28 V125N27-F31 WeakPolarHBondContact O-CD2 3.38Å; N27-F31 PolarHBondContact O-N 2.78Å; N27-F31 WeakPolarHBondContact OD1-CE2 3.35Å; V28-F31 PolarHBondContact O-N 3.15Å; V28-F31 VanDerWaalsContact O-N 3.17Å; F31-V125 HydrophobicContact CD2-CG1 3.98Å; F31-V125 HydrophobicContact CD2-CG2 4.12Å; F31-V125 HydrophobicContact CE2-CG1 4.39Å; F31-V125 HydrophobicContact CG-CG1 4.38Å
32F89.4Confident89.9Confident28 Ų2863 Ų6312%0.12332%0.315CS..  trans-134.975.8-174.8-57.2-79.8000110.5V28 H34 F35 I128 I132V28-F32 HydrophobicContact CG1-CB 4.43Å; V28-F32 HydrophobicContact CG1-CD2 4.19Å; V28-F32 PolarHBondContact O-N 2.93Å; F32-H34 PolarHBondContact O-N 3.35Å; F32-F35 HydrophobicContact CB-CD2 3.69Å; F32-F35 HydrophobicContact CB-CE2 4.03Å; F32-F35 PolarHBondContact O-N 3.03Å; F32-I128 HydrophobicContact CD1-CG2 4.4Å; F32-I128 HydrophobicContact CD2-CD1 3.79Å; F32-I128 HydrophobicContact CD2-CG2 4.28Å; F32-I128 HydrophobicContact CE1-CG2 3.75Å; F32-I128 HydrophobicContact CE2-CB 4.03Å; F32-I128 HydrophobicContact CE2-CD1 3.96Å; F32-I128 HydrophobicContact CE2-CG2 3.61Å; F32-I128 HydrophobicContact CG-CD1 4.39Å; F32-I128 HydrophobicContact CZ-CB 4.18Å; F32-I128 HydrophobicContact CZ-CG2 3.31Å; F32-I132 HydrophobicContact CE1-CD1 4.24Å; F32-I132 HydrophobicContact CZ-CD1 4.31Å
33P86.4Confident89.7Confident79 Ų7966.7 Ų66.751%0.51334%0.338SS..THydrogen-bonded Turntrans-69.1-6.7-172.628.6-36.8000114.4N29 F35N29-P33 WeakPolarHBondContact O-CA 3.45Å; P33-F35 VanDerWaalsContact C-N 3.33Å
34H85.4Confident89.5Confident137 Ų13763.4 Ų63.463%0.63432%0.322SS*.THydrogen-bonded Turntrans-85.1-5.4179-59.9-60.8000113.7F32F32-H34 PolarHBondContact O-N 3.35Å
35F90.2Very high89Confident5 Ų571.2 Ų71.22%0.02236%0.355CS..  trans-77.5136.3174.9-83.3-100.9000111.5F32 P33 F55 T56 G57 I59 F74 I128F32-F35 HydrophobicContact CB-CD2 3.69Å; F32-F35 HydrophobicContact CB-CE2 4.03Å; F32-F35 PolarHBondContact O-N 3.03Å; P33-F35 VanDerWaalsContact C-N 3.33Å; F35-F55 HydrophobicContact CB-CD1 4.15Å; F35-F55 HydrophobicContact CB-CD2 4.36Å; F35-F55 HydrophobicContact CB-CE1 3.49Å; F35-F55 VanDerWaalsContact CB-CE1 3.49Å; F35-F55 HydrophobicContact CB-CE2 3.78Å; F35-F55 HydrophobicContact CB-CZ 3.31Å; F35-F55 AromaticContact CD1-CD1 3.53Å; F35-F55 HydrophobicContact CD1-CD1 3.53Å; F35-F55 AromaticContact CD1-CE1 3.61Å; F35-F55 HydrophobicContact CD1-CE1 3.61Å; F35-F55 HydrophobicContact CD1-CG 4.13Å; F35-F55 HydrophobicContact CD1-CZ 4.29Å; F35-F55 HydrophobicContact CE1-CD1 4.34Å; F35-F55 HydrophobicContact CG-CD1 4.14Å; F35-F55 AromaticContact CG-CE1 3.73Å; F35-F55 HydrophobicContact CG-CE1 3.73Å; F35-F55 HydrophobicContact CG-CZ 4.09Å; F35-T56 CarbonylContact C-O 3.49Å; F35-T56 WeakPolarHBondContact CA-O 3.43Å; F35-T56 VanDerWaalsContact CD1-C 3.48Å; F35-G57 VanDerWaalsContact CE1-N 3.35Å; F35-I59 HydrophobicContact CE2-CG2 3.99Å; F35-I59 HydrophobicContact CZ-CG2 3.94Å; F35-F74 HydrophobicContact CD1-CD2 4.24Å; F35-F74 HydrophobicContact CD1-CE2 4.29Å; F35-F74 AromaticContact CE1-CD2 3.59Å; F35-F74 HydrophobicContact CE1-CD2 3.59Å; F35-F74 AromaticContact CE1-CE2 3.35Å; F35-F74 HydrophobicContact CE1-CE2 3.35Å; F35-F74 HydrophobicContact CZ-CD2 4.39Å; F35-F74 AromaticContact CZ-CE2 3.69Å; F35-F74 HydrophobicContact CZ-CE2 3.69Å; F35-I128 HydrophobicContact CE2-CD1 4.47Å; F35-I128 HydrophobicContact CZ-CD1 4.42Å
36K90.4Very high88.6Confident163 Ų16376.8 Ų76.871%0.70939%0.385SS*.EExtended strand (participates in β ladder)trans-123.3149.7176.6-62.9-175.6179.5-177.80109.3F55 T56K36-F55 CarbonylContact O-C 3.5Å; K36-F55 WeakPolarHBondContact O-CA 3.4Å; K36-F55 WeakPolarHBondContact O-CD2 3.24Å; K36-T56 PolarHBondContact N-O 3.43Å; K36-T56 PolarHBondContact O-N 2.85Å
37Y91.9Very high88Confident58 Ų5876 Ų7623%0.22739%0.394CS..EExtended strand (participates in β ladder)trans-108.3147.4174.759-93.1000112.3F3 D4 L8 L11 L53 N54F3-Y37 HydrophobicContact CD2-CE1 4.43Å; F3-Y37 AromaticContact CE2-CD1 3.89Å; F3-Y37 HydrophobicContact CE2-CD1 3.89Å; F3-Y37 AromaticContact CE2-CE1 3.87Å; F3-Y37 HydrophobicContact CE2-CE1 3.87Å; F3-Y37 HydrophobicContact CZ-CD1 4.06Å; F3-Y37 HydrophobicContact CZ-CE1 4.03Å; D4-Y37 WeakPolarHBondContact CB-OH 3.28Å; D4-Y37 PolarHBondContact O-OH 3.09Å; D4-Y37 VanDerWaalsContact O-OH 3.12Å; L8-Y37 HydrophobicContact CB-CE2 4.35Å; L8-Y37 HydrophobicContact CD1-CD1 4.4Å; L8-Y37 HydrophobicContact CD1-CD2 3.85Å; L8-Y37 HydrophobicContact CD1-CE2 4.1Å; L8-Y37 HydrophobicContact CD1-CG 4.02Å; L11-Y37 HydrophobicContact CD1-CD2 4.06Å; L11-Y37 HydrophobicContact CD1-CE2 3.85Å; Y37-L53 HydrophobicContact CD2-CD1 4.4Å; Y37-N54 CarbonylContact C-O 3.58Å; Y37-N54 VanDerWaalsContact CA-O 3.24Å; Y37-N54 WeakPolarHBondContact CA-O 3.37Å
38S91.3Very high88Confident47 Ų4774.6 Ų74.633%0.32939%0.39SS..EExtended strand (participates in β ladder)trans-142.2161167.9520000109.6D40 N54S38-D40 PolarHBondContact OG-OD2 2.84Å; S38-N54 PolarHBondContact N-O 2.9Å; S38-N54 PolarHBondContact O-N 3.09Å
39M90.8Very high87.9Confident61 Ų6181.3 Ų81.330%0.342%0.422SS..EExtended strand (participates in β ladder)trans-98.8122.8167.5-72.9-59.9-60.200108.2L11 D51 L53L11-M39 HydrophobicContact CB-CG 3.98Å; L11-M39 HydrophobicContact CB-SD 4.31Å; L11-M39 HydrophobicContact CD1-CG 4.28Å; L11-M39 HydrophobicContact CD2-CG 3.93Å; L11-M39 HydrophobicContact CG-CG 4.28Å; M39-D51 HydrophobicContact CE-CB 4.2Å; M39-L53 HydrophobicContact SD-CB 4.08Å; M39-L53 HydrophobicContact SD-CD1 3.8Å
40D89.2Confident88Confident63 Ų6383.6 Ų83.634%0.33743%0.43SS..EExtended strand (participates in β ladder)trans-138.7156-178.3-64.9-57.6000109.8S38 L52 N54 W75S38-D40 PolarHBondContact OG-OD2 2.84Å; D40-L52 PolarHBondContact N-O 3.2Å; D40-L52 VanDerWaalsContact N-O 3.12Å; D40-L52 PolarHBondContact O-N 3.47Å; D40-L52 VanDerWaalsContact O-O 3.08Å; D40-N54 HydrophobicContact CB-CB 4.28Å; D40-N54 VanDerWaalsContact OD2-CB 3.28Å; D40-N54 WeakPolarHBondContact OD2-CB 3.29Å; D40-N54 PolarHBondContact OD2-ND2 3.29Å; D40-W75 HydrophobicContact CB-CH2 3.45Å; D40-W75 VanDerWaalsContact CB-CH2 3.45Å; D40-W75 HydrophobicContact CB-CZ3 3.67Å; D40-W75 WeakPolarHBondContact O-CZ3 3.42Å
41T91.8Very high88Confident73 Ų7382.7 Ų82.745%0.44842%0.422SS..EExtended strand (participates in β ladder)trans-83.3121.6177.5-51.60000110.4Q49 D51T41-Q49 HydrophobicContact CG2-CB 3.96Å; T41-D51 PolarHBondContact OG1-OD1 3.16Å
42Y90.1Very high88.3Confident26 Ų2677.2 Ų77.210%0.10240%0.398CS..EExtended strand (participates in β ladder)trans-98133.1173.2-174-96000110.5F44 Q49 K50 L52 W75 I86 F88Y42-F44 HydrophobicContact CD1-CD1 4.05Å; Y42-F44 HydrophobicContact CD1-CD2 4.02Å; Y42-F44 AromaticContact CD1-CE1 3.99Å; Y42-F44 HydrophobicContact CD1-CE1 3.99Å; Y42-F44 AromaticContact CD1-CE2 3.96Å; Y42-F44 HydrophobicContact CD1-CE2 3.96Å; Y42-F44 HydrophobicContact CD1-CG 4.06Å; Y42-F44 AromaticContact CD1-CZ 3.94Å; Y42-F44 HydrophobicContact CD1-CZ 3.94Å; Y42-F44 AromaticContact CE1-CD1 3.75Å; Y42-F44 HydrophobicContact CE1-CD1 3.75Å; Y42-F44 HydrophobicContact CE1-CD2 4.46Å; Y42-F44 AromaticContact CE1-CE1 3.93Å; Y42-F44 HydrophobicContact CE1-CE1 3.93Å; Y42-F44 HydrophobicContact CE1-CG 4.03Å; Y42-F44 HydrophobicContact CE1-CZ 4.37Å; Y42-Q49 WeakPolarHBondContact O-CA 3.32Å; Y42-K50 PolarHBondContact N-O 2.65Å; Y42-K50 PolarHBondContact O-N 2.99Å; Y42-L52 HydrophobicContact CD1-CD1 4.26Å; Y42-L52 HydrophobicContact CG-CD1 4.15Å; Y42-W75 AromaticContact CD2-CD1 3.76Å; Y42-W75 AromaticContact CD2-CD2 3.61Å; Y42-W75 HydrophobicContact CD2-CD2 3.61Å; Y42-W75 AromaticContact CD2-CE2 3.51Å; Y42-W75 HydrophobicContact CD2-CE3 4.2Å; Y42-W75 AromaticContact CD2-CG 3.75Å; Y42-W75 HydrophobicContact CD2-CG 3.75Å; Y42-W75 HydrophobicContact CD2-CH2 4.46Å; Y42-W75 AromaticContact CD2-CZ2 3.98Å; Y42-W75 HydrophobicContact CD2-CZ2 3.98Å; Y42-W75 AromaticContact CD2-NE1 3.6Å; Y42-W75 AromaticContact CE2-CD1 3.72Å; Y42-W75 HydrophobicContact CE2-CD2 4.35Å; Y42-W75 HydrophobicContact CE2-CG 4.08Å; Y42-W75 AromaticContact CE2-NE1 3.75Å; Y42-W75 HydrophobicContact CG-CD2 4.31Å; Y42-I86 HydrophobicContact CD1-CD1 4.5Å; Y42-I86 HydrophobicContact CE1-CD1 3.78Å; Y42-F88 AromaticContact CE2-CE2 3.96Å; Y42-F88 HydrophobicContact CE2-CE2 3.96Å; Y42-F88 HydrophobicContact CE2-CZ 4.34Å
43V88.4Confident88.6Confident80 Ų8075.9 Ų75.949%0.48539%0.392SS..EExtended strand (participates in β ladder)trans-102.2119176-171.20000109.1S48 Q49V43-S48 CarbonylContact C-O 3.58Å; V43-S48 WeakPolarHBondContact CA-O 3.34Å; V43-Q49 HydrophobicContact CG1-CG 4.29Å; V43-Q49 HydrophobicContact CG2-CG 4.06Å
44F84.8Confident88.9Confident54 Ų5472.3 Ų72.324%0.23737%0.368CS..PPolyproline II helixtrans-79.6166.5177.2-67.8-89.4000111.6Y42 D46 S47 S48 K50 L52 L77 I86Y42-F44 HydrophobicContact CD1-CD1 4.05Å; Y42-F44 HydrophobicContact CD1-CD2 4.02Å; Y42-F44 AromaticContact CD1-CE1 3.99Å; Y42-F44 HydrophobicContact CD1-CE1 3.99Å; Y42-F44 AromaticContact CD1-CE2 3.96Å; Y42-F44 HydrophobicContact CD1-CE2 3.96Å; Y42-F44 HydrophobicContact CD1-CG 4.06Å; Y42-F44 AromaticContact CD1-CZ 3.94Å; Y42-F44 HydrophobicContact CD1-CZ 3.94Å; Y42-F44 AromaticContact CE1-CD1 3.75Å; Y42-F44 HydrophobicContact CE1-CD1 3.75Å; Y42-F44 HydrophobicContact CE1-CD2 4.46Å; Y42-F44 AromaticContact CE1-CE1 3.93Å; Y42-F44 HydrophobicContact CE1-CE1 3.93Å; Y42-F44 HydrophobicContact CE1-CG 4.03Å; Y42-F44 HydrophobicContact CE1-CZ 4.37Å; F44-D46 WeakPolarHBondContact CB-OD1 3.46Å; F44-D46 PolarHBondContact O-N 3.37Å; F44-S47 WeakPolarHBondContact O-CA 3.47Å; F44-S47 PolarHBondContact O-N 3.15Å; F44-S48 WeakPolarHBondContact CB-OG 3.29Å; F44-S48 WeakPolarHBondContact CD2-OG 3.23Å; F44-S48 PolarHBondContact N-O 2.99Å; F44-K50 HydrophobicContact CE2-CB 3.73Å; F44-K50 HydrophobicContact CE2-CD 4.36Å; F44-L52 HydrophobicContact CZ-CD1 4.14Å; F44-L77 HydrophobicContact CE1-CD2 4.23Å; F44-L77 HydrophobicContact CZ-CD2 4.11Å; F44-I86 HydrophobicContact CE1-CD1 4.32Å
45K80.1Confident89.3Confident180 Ų18065.8 Ų65.878%0.78334%0.338SS*.THydrogen-bonded Turntrans-63.1-23.9-178.6-69.4-171.6174.4-170.90113.8S47K45-S47 PolarHBondContact O-N 2.99Å
46D83Confident89.4Confident118 Ų11866.8 Ų66.863%0.63135%0.345SS*.THydrogen-bonded Turntrans-84.210.9175.264.1-6.9000112.7F44 S48F44-D46 WeakPolarHBondContact CB-OD1 3.46Å; F44-D46 PolarHBondContact O-N 3.37Å; D46-S48 PolarHBondContact O-N 2.87Å; D46-S48 VanDerWaalsContact OD1-CB 3.24Å; D46-S48 WeakPolarHBondContact OD1-CB 3.22Å; D46-S48 PolarHBondContact OD1-N 3.08Å; D46-S48 PolarHBondContact OD1-OG 3.03Å; D46-S48 PolarHBondContact OD2-OG 3.48Å
47S79.3Confident89.5Confident97 Ų9759.4 Ų59.468%0.67832%0.315SS*.SBendtrans65.87.6-174.2-48.50000114.8F44 K45F44-S47 WeakPolarHBondContact O-CA 3.47Å; F44-S47 PolarHBondContact O-N 3.15Å; K45-S47 PolarHBondContact O-N 2.99Å
48S89.2Confident89.6Confident49 Ų4958.9 Ų58.934%0.34332%0.318SS..  trans-70.8147.1170.770.70000110.6V43 F44 D46V43-S48 CarbonylContact C-O 3.58Å; V43-S48 WeakPolarHBondContact CA-O 3.34Å; F44-S48 WeakPolarHBondContact CB-OG 3.29Å; F44-S48 WeakPolarHBondContact CD2-OG 3.23Å; F44-S48 PolarHBondContact N-O 2.99Å; D46-S48 PolarHBondContact O-N 2.87Å; D46-S48 VanDerWaalsContact OD1-CB 3.24Å; D46-S48 WeakPolarHBondContact OD1-CB 3.22Å; D46-S48 PolarHBondContact OD1-N 3.08Å; D46-S48 PolarHBondContact OD1-OG 3.03Å; D46-S48 PolarHBondContact OD2-OG 3.48Å
49Q89.7Confident89.6Confident141 Ų14156.6 Ų56.666%0.65930%0.302SS*.EExtended strand (participates in β ladder)trans-119.7140.8-178.5-57.7-170.1-5.600110.4T41 Y42 V43T41-Q49 HydrophobicContact CG2-CB 3.96Å; Y42-Q49 WeakPolarHBondContact O-CA 3.32Å; V43-Q49 HydrophobicContact CG1-CG 4.29Å; V43-Q49 HydrophobicContact CG2-CG 4.06Å
50K90.1Very high89.7Confident78 Ų7856.4 Ų56.434%0.33931%0.306SS..EExtended strand (participates in β ladder)trans-148.7136.4177.8-164.2170.7-175.9173.50111.4Y42 F44 L52 D78Y42-K50 PolarHBondContact N-O 2.65Å; Y42-K50 PolarHBondContact O-N 2.99Å; F44-K50 HydrophobicContact CE2-CB 3.73Å; F44-K50 HydrophobicContact CE2-CD 4.36Å; K50-L52 HydrophobicContact CB-CG 4.41Å; K50-L52 HydrophobicContact CD-CD2 4.01Å; K50-L52 HydrophobicContact CG-CD2 4.07Å; K50-L52 HydrophobicContact CG-CG 4.39Å; K50-L52 PolarHBondContact O-N 3.3Å; K50-D78 WeakPolarHBondContact CE-OD2 3.19Å; K50-D78 IonicContact NZ-OD1 2.76Å; K50-D78 PolarHBondContact NZ-OD1 2.94Å; K50-D78 IonicContact NZ-OD2 3.13Å; K50-D78 PolarHBondContact NZ-OD2 2.85Å
51D90.6Very high89.8Confident84 Ų8453.4 Ų53.445%0.44929%0.289SS..EExtended strand (participates in β ladder)trans-74117.1171.6-57.9-31.5000109.4M39 T41M39-D51 HydrophobicContact CE-CB 4.2Å; T41-D51 PolarHBondContact OG1-OD1 3.16Å
52L93.3Very high89.7Confident0 Ų055.2 Ų55.20%029%0.294CS..EExtended strand (participates in β ladder)trans-126154.2-178.1-65.6-178.9000110.1Y15 D40 Y42 F44 K50 N54 W75 L77Y15-L52 WeakPolarHBondContact OH-CA 3.25Å; D40-L52 PolarHBondContact N-O 3.2Å; D40-L52 VanDerWaalsContact N-O 3.12Å; D40-L52 PolarHBondContact O-N 3.47Å; D40-L52 VanDerWaalsContact O-O 3.08Å; Y42-L52 HydrophobicContact CD1-CD1 4.26Å; Y42-L52 HydrophobicContact CG-CD1 4.15Å; F44-L52 HydrophobicContact CZ-CD1 4.14Å; K50-L52 HydrophobicContact CB-CG 4.41Å; K50-L52 HydrophobicContact CD-CD2 4.01Å; K50-L52 HydrophobicContact CG-CD2 4.07Å; K50-L52 HydrophobicContact CG-CG 4.39Å; K50-L52 PolarHBondContact O-N 3.3Å; L52-N54 PolarHBondContact O-N 3.03Å; L52-W75 HydrophobicContact CB-CE3 3.86Å; L52-W75 HydrophobicContact CB-CZ3 4.28Å; L52-L77 HydrophobicContact CD1-CD2 3.86Å
53L94.3Very high89.4Confident0 Ų057 Ų570%030%0.301CS..EExtended strand (participates in β ladder)trans-70.4120.1171.5-17182.3000109.3L8 L12 Y15 L25 Y37 M39 I76L8-L53 HydrophobicContact CD1-CD1 3.58Å; L8-L53 HydrophobicContact CD1-CD2 3.94Å; L8-L53 HydrophobicContact CD1-CG 4.43Å; L12-L53 HydrophobicContact CD2-CB 3.89Å; L12-L53 HydrophobicContact CD2-CD1 4.1Å; L12-L53 HydrophobicContact CD2-CD2 4.15Å; L12-L53 HydrophobicContact CD2-CG 4.27Å; Y15-L53 PolarHBondContact OH-N 3.46Å; L25-L53 HydrophobicContact CD1-CD2 3.3Å; Y37-L53 HydrophobicContact CD2-CD1 4.4Å; M39-L53 HydrophobicContact SD-CB 4.08Å; M39-L53 HydrophobicContact SD-CD1 3.8Å; L53-I76 HydrophobicContact CB-CB 4.22Å; L53-I76 HydrophobicContact CD2-CB 4.39Å; L53-I76 HydrophobicContact CD2-CG1 4.07Å; L53-I76 PolarHBondContact O-N 3.37Å
54N92.8Very high89.2Confident4 Ų460.7 Ų60.72%0.02131%0.313CS..EExtended strand (participates in β ladder)trans-98.8117.1174.5-179.7-10000108.9Y37 S38 D40 L52 T56 R73 W75Y37-N54 CarbonylContact C-O 3.58Å; Y37-N54 VanDerWaalsContact CA-O 3.24Å; Y37-N54 WeakPolarHBondContact CA-O 3.37Å; S38-N54 PolarHBondContact N-O 2.9Å; S38-N54 PolarHBondContact O-N 3.09Å; D40-N54 HydrophobicContact CB-CB 4.28Å; D40-N54 VanDerWaalsContact OD2-CB 3.28Å; D40-N54 WeakPolarHBondContact OD2-CB 3.29Å; D40-N54 PolarHBondContact OD2-ND2 3.29Å; L52-N54 PolarHBondContact O-N 3.03Å; N54-T56 PolarHBondContact OD1-OG1 3.12Å; N54-R73 VanDerWaalsContact OD1-CG 3.24Å; N54-R73 WeakPolarHBondContact OD1-CG 3.49Å; N54-W75 HydrophobicContact CB-CE3 3.99Å; N54-W75 HydrophobicContact CB-CH2 4.22Å; N54-W75 HydrophobicContact CB-CZ3 3.82Å
55F93.7Very high89Confident0 Ų061.4 Ų61.40%034%0.336CS..EExtended strand (participates in β ladder)trans-114.3104.1179.5-164.1-123.8000109.5F3 L25 V28 F35 K36 F74F3-F55 HydrophobicContact CE2-CE2 4.34Å; L25-F55 HydrophobicContact CD2-CD1 3.75Å; L25-F55 HydrophobicContact CD2-CD2 4.39Å; L25-F55 HydrophobicContact CD2-CE1 3.83Å; L25-F55 HydrophobicContact CD2-CE2 4.44Å; L25-F55 HydrophobicContact CD2-CG 4.04Å; L25-F55 HydrophobicContact CD2-CZ 4.16Å; V28-F55 HydrophobicContact CB-CE1 4.12Å; V28-F55 HydrophobicContact CG1-CE1 3.67Å; V28-F55 HydrophobicContact CG1-CZ 4.29Å; F35-F55 HydrophobicContact CB-CD1 4.15Å; F35-F55 HydrophobicContact CB-CD2 4.36Å; F35-F55 HydrophobicContact CB-CE1 3.49Å; F35-F55 VanDerWaalsContact CB-CE1 3.49Å; F35-F55 HydrophobicContact CB-CE2 3.78Å; F35-F55 HydrophobicContact CB-CZ 3.31Å; F35-F55 AromaticContact CD1-CD1 3.53Å; F35-F55 HydrophobicContact CD1-CD1 3.53Å; F35-F55 AromaticContact CD1-CE1 3.61Å; F35-F55 HydrophobicContact CD1-CE1 3.61Å; F35-F55 HydrophobicContact CD1-CG 4.13Å; F35-F55 HydrophobicContact CD1-CZ 4.29Å; F35-F55 HydrophobicContact CE1-CD1 4.34Å; F35-F55 HydrophobicContact CG-CD1 4.14Å; F35-F55 AromaticContact CG-CE1 3.73Å; F35-F55 HydrophobicContact CG-CE1 3.73Å; F35-F55 HydrophobicContact CG-CZ 4.09Å; K36-F55 CarbonylContact O-C 3.5Å; K36-F55 WeakPolarHBondContact O-CA 3.4Å; K36-F55 WeakPolarHBondContact O-CD2 3.24Å; F55-F74 HydrophobicContact CB-CB 4.27Å; F55-F74 HydrophobicContact CD1-CD2 4.13Å; F55-F74 PolarHBondContact N-O 3.38Å; F55-F74 PolarHBondContact O-N 2.67Å
56T93.4Very high89.2Confident26 Ų2657.5 Ų57.516%0.1632%0.323CS..EExtended strand (participates in β ladder)trans-115.9137.1-172.1-62.40000110.7F35 K36 N54 I72 K90F35-T56 CarbonylContact C-O 3.49Å; F35-T56 WeakPolarHBondContact CA-O 3.43Å; F35-T56 VanDerWaalsContact CD1-C 3.48Å; K36-T56 PolarHBondContact N-O 3.43Å; K36-T56 PolarHBondContact O-N 2.85Å; N54-T56 PolarHBondContact OD1-OG1 3.12Å; T56-I72 CarbonylContact C-O 3.57Å; T56-I72 WeakPolarHBondContact CA-O 3.11Å; T56-I72 WeakPolarHBondContact CG2-O 3.36Å; T56-K90 HydrophobicContact CG2-CD 3.52Å
57G92.8Very high89.4Confident9 Ų956 Ų569%0.09332%0.319CS..EExtended strand (participates in β ladder)trans-163.4-163.9177.400000111.9F35 P71 I72F35-G57 VanDerWaalsContact CE1-N 3.35Å; G57-P71 CarbonylContact O-C 3.59Å; G57-P71 WeakPolarHBondContact O-CA 3.38Å; G57-I72 PolarHBondContact N-O 2.81Å; G57-I72 PolarHBondContact O-N 3.12Å; G57-I72 VanDerWaalsContact O-O 3.13Å
58T92.6Very high89.8Confident46 Ų4656 Ų5628%0.28230%0.304SS..EExtended strand (participates in β ladder)trans-123.8147.6173.1520000110.1I70 P71T58-I70 CarbonylContact C-O 3.56Å; T58-I70 VanDerWaalsContact CA-O 3.25Å; T58-I70 WeakPolarHBondContact CA-O 3.49Å; T58-P71 HydrophobicContact CG2-CB 4.07Å
59I92.9Very high89.9Confident0 Ų058.3 Ų58.30%031%0.313CS..EExtended strand (participates in β ladder)trans-117.3135.3174.465.7162000109.8F35 V61 N69 I70 I72 I128 M131 I132 F135F35-I59 HydrophobicContact CE2-CG2 3.99Å; F35-I59 HydrophobicContact CZ-CG2 3.94Å; I59-V61 HydrophobicContact CD1-CG2 4.1Å; I59-V61 HydrophobicContact CG1-CG2 4.19Å; I59-N69 CarbonylContact O-C 3.57Å; I59-N69 WeakPolarHBondContact O-CA 3.37Å; I59-I70 HydrophobicContact CG1-CB 4.03Å; I59-I70 PolarHBondContact N-O 3.07Å; I59-I70 PolarHBondContact O-N 3.2Å; I59-I72 HydrophobicContact CB-CD1 4.42Å; I59-I72 HydrophobicContact CD1-CD1 3.24Å; I59-I72 HydrophobicContact CD1-CG1 4.41Å; I59-I72 HydrophobicContact CG1-CD1 3.46Å; I59-I72 VanDerWaalsContact CG1-CD1 3.46Å; I59-I72 HydrophobicContact CG1-CG1 4.16Å; I59-I72 HydrophobicContact CG2-CD1 4.09Å; I59-I128 HydrophobicContact CB-CG2 4.35Å; I59-I128 HydrophobicContact CG2-CG2 3.64Å; I59-M131 HydrophobicContact CD1-CB 3.96Å; I59-I132 HydrophobicContact CB-CG1 4.29Å; I59-I132 HydrophobicContact CD1-CG1 3.82Å; I59-I132 HydrophobicContact CG1-CG1 4.47Å; I59-F135 HydrophobicContact CD1-CD2 4Å; I59-F135 HydrophobicContact CD1-CE2 4.29Å
60P91.9Very high89.9Confident57 Ų5751.8 Ų51.837%0.3728%0.283SS..EExtended strand (participates in β ladder)trans-80.6125.2178.130.9-32.7000110.6T67P60-T67 HydrophobicContact CB-CG2 3.94Å
61V91.4Very high90.1Very high0 Ų048.7 Ų48.70%027%0.271CS..EExtended strand (participates in β ladder)trans-124.4124.5179177.90000109I59 Y68 I70 I132 F135 Q136 L139I59-V61 HydrophobicContact CD1-CG2 4.1Å; I59-V61 HydrophobicContact CG1-CG2 4.19Å; V61-Y68 PolarHBondContact N-O 2.86Å; V61-Y68 PolarHBondContact O-N 2.87Å; V61-I70 HydrophobicContact CB-CD1 3.8Å; V61-I70 HydrophobicContact CB-CG1 4.07Å; V61-I70 HydrophobicContact CG1-CD1 4.22Å; V61-I70 HydrophobicContact CG2-CB 4.5Å; V61-I70 HydrophobicContact CG2-CD1 3.57Å; V61-I70 HydrophobicContact CG2-CG1 3.82Å; V61-I132 HydrophobicContact CG2-CG1 4.44Å; V61-F135 HydrophobicContact CB-CB 4.5Å; V61-F135 VanDerWaalsContact CG1-C 3.41Å; V61-F135 HydrophobicContact CG1-CB 3.8Å; V61-F135 WeakPolarHBondContact CG1-O 3.25Å; V61-F135 HydrophobicContact CG2-CB 3.93Å; V61-F135 HydrophobicContact CG2-CD2 4.47Å; V61-Q136 HydrophobicContact CG1-CG 3.91Å; V61-L139 HydrophobicContact CG1-CD2 3.99Å
62M89.7Confident90.3Very high111 Ų11144.7 Ų44.755%0.54725%0.249SC..EExtended strand (participates in β ladder)trans-90.8118.5178.8-172.4-176.2-65.900110N66 Q136M62-N66 CarbonylContact C-O 3.47Å; M62-N66 WeakPolarHBondContact CA-O 3.37Å; M62-Q136 VanDerWaalsContact O-CG 3.31Å; M62-Q136 WeakPolarHBondContact O-CG 3.38Å
63Y83.8Confident90.4Very high63 Ų6348.1 Ų48.125%0.24726%0.262CS..EExtended strand (participates in β ladder)trans-136.9128.2-180-171.8-99.8000109.9G65 N66 Q136 L139Y63-G65 PolarHBondContact O-N 2.89Å; Y63-G65 VanDerWaalsContact O-N 3.12Å; Y63-N66 PolarHBondContact N-O 3.37Å; Y63-N66 PolarHBondContact O-N 3.5Å; Y63-Q136 VanDerWaalsContact CD2-O 3.3Å; Y63-Q136 WeakPolarHBondContact CD2-O 3.25Å; Y63-L139 HydrophobicContact CD1-CD1 3.24Å; Y63-L139 HydrophobicContact CD1-CG 3.71Å; Y63-L139 HydrophobicContact CD2-CD1 4.25Å; Y63-L139 HydrophobicContact CD2-CG 3.75Å; Y63-L139 HydrophobicContact CE1-CD1 3.85Å; Y63-L139 HydrophobicContact CE1-CG 4.21Å; Y63-L139 HydrophobicContact CE2-CG 4.27Å; Y63-L139 HydrophobicContact CG-CD1 3.48Å; Y63-L139 VanDerWaalsContact CG-CD1 3.48Å; Y63-L139 HydrophobicContact CG-CD2 4.21Å; Y63-L139 HydrophobicContact CG-CG 3.45Å; Y63-L139 VanDerWaalsContact CG-CG 3.45Å
64Q83.6Confident90.5Very high158 Ų15848.1 Ų48.174%0.73826%0.262SS*.THydrogen-bonded Turntrans49.138.6-179.2-63.1-180-0.500114.2N66Q64-N66 VanDerWaalsContact C-N 3.33Å; Q64-N66 PolarHBondContact O-N 3.45Å
65G81.3Confident90.6Very high69 Ų6948.9 Ų48.971%0.71127%0.265SS*.THydrogen-bonded Turntrans84.8-6.4178.400000115.7Y63Y63-G65 PolarHBondContact O-N 2.89Å; Y63-G65 VanDerWaalsContact O-N 3.12Å
66N83.6Confident90.7Very high97 Ų9748.9 Ų48.952%0.51927%0.265SS..EExtended strand (participates in β ladder)trans-107.2148.9176.4-67.4-45.5000111.5M62 Y63 Q64 Y68M62-N66 CarbonylContact C-O 3.47Å; M62-N66 WeakPolarHBondContact CA-O 3.37Å; Y63-N66 PolarHBondContact N-O 3.37Å; Y63-N66 PolarHBondContact O-N 3.5Å; Q64-N66 VanDerWaalsContact C-N 3.33Å; Q64-N66 PolarHBondContact O-N 3.45Å; N66-Y68 HydrophobicContact CB-CD2 4.46Å; N66-Y68 HydrophobicContact CB-CE2 3.71Å
67T87.6Confident90.7Very high87 Ų8749 Ų4953%0.53426%0.264SS..EExtended strand (participates in β ladder)trans-100.1119.1175.2-57.70000110.5P60P60-T67 HydrophobicContact CB-CG2 3.94Å
68Y87.9Confident90.6Very high96 Ų9650.1 Ų50.138%0.37627%0.268SS..EExtended strand (participates in β ladder)trans-105128.8178.2-62.5-88.7000110.4V61 N66 I70 L139V61-Y68 PolarHBondContact N-O 2.86Å; V61-Y68 PolarHBondContact O-N 2.87Å; N66-Y68 HydrophobicContact CB-CD2 4.46Å; N66-Y68 HydrophobicContact CB-CE2 3.71Å; Y68-I70 PolarHBondContact O-N 2.69Å; Y68-L139 HydrophobicContact CD2-CD1 4.05Å; Y68-L139 HydrophobicContact CD2-CD2 4.32Å; Y68-L139 HydrophobicContact CE2-CD1 4.03Å; Y68-L139 HydrophobicContact CG-CD1 4.47Å
69N90.4Very high90.5Very high98 Ų9849.8 Ų49.852%0.52427%0.267SS..EExtended strand (participates in β ladder)trans-9197.8176.4-67.2-51.5000109.8I59 P71I59-N69 CarbonylContact O-C 3.57Å; I59-N69 WeakPolarHBondContact O-CA 3.37Å; N69-P71 WeakPolarHBondContact O-CD 3.29Å
70I91.1Very high90.5Very high5 Ų549.8 Ų49.83%0.02627%0.267CS..EExtended strand (participates in β ladder)trans-84.1117.7-173.9-53.7-161.8000109.7T58 I59 V61 Y68 I72 L89 F135 L139 P140 L141T58-I70 CarbonylContact C-O 3.56Å; T58-I70 VanDerWaalsContact CA-O 3.25Å; T58-I70 WeakPolarHBondContact CA-O 3.49Å; I59-I70 HydrophobicContact CG1-CB 4.03Å; I59-I70 PolarHBondContact N-O 3.07Å; I59-I70 PolarHBondContact O-N 3.2Å; V61-I70 HydrophobicContact CB-CD1 3.8Å; V61-I70 HydrophobicContact CB-CG1 4.07Å; V61-I70 HydrophobicContact CG1-CD1 4.22Å; V61-I70 HydrophobicContact CG2-CB 4.5Å; V61-I70 HydrophobicContact CG2-CD1 3.57Å; V61-I70 HydrophobicContact CG2-CG1 3.82Å; Y68-I70 PolarHBondContact O-N 2.69Å; I70-I72 HydrophobicContact CG2-CG1 4.34Å; I70-L89 HydrophobicContact CG2-CD2 3.69Å; I70-F135 HydrophobicContact CD1-CB 4.17Å; I70-F135 HydrophobicContact CD1-CD2 4.16Å; I70-F135 HydrophobicContact CD1-CG 4.47Å; I70-L139 HydrophobicContact CD1-CD2 3.93Å; I70-P140 HydrophobicContact CD1-CG 3.56Å; I70-P140 HydrophobicContact CG2-CG 4.07Å; I70-L141 HydrophobicContact CG2-CD1 3.8Å; I70-L141 HydrophobicContact CG2-CG 4.35Å
71P93.9Very high90.5Very high13 Ų1347 Ų478%0.08425%0.25CC..EExtended strand (participates in β ladder)trans-73.2127.9177.729.8-36.5000112.3G57 T58 N69 L89 K90 M95 L141G57-P71 CarbonylContact O-C 3.59Å; G57-P71 WeakPolarHBondContact O-CA 3.38Å; T58-P71 HydrophobicContact CG2-CB 4.07Å; N69-P71 WeakPolarHBondContact O-CD 3.29Å; P71-L89 WeakPolarHBondContact O-CA 3.29Å; P71-K90 HydrophobicContact CB-CB 4.32Å; P71-K90 WeakPolarHBondContact CB-O 3.29Å; P71-K90 WeakPolarHBondContact CG-O 3.49Å; P71-K90 PolarHBondContact O-N 2.78Å; P71-M95 HydrophobicContact CG-SD 4.13Å; P71-L141 HydrophobicContact CG-CD1 3.95Å
72I94.4Very high90.5Very high0 Ų052.3 Ų52.30%027%0.273CS..EExtended strand (participates in β ladder)trans-130.9147.6-176.3-60.9-171.3000110.6T56 G57 I59 I70 F74 F88 L89 I109 M131 F135T56-I72 CarbonylContact C-O 3.57Å; T56-I72 WeakPolarHBondContact CA-O 3.11Å; T56-I72 WeakPolarHBondContact CG2-O 3.36Å; G57-I72 PolarHBondContact N-O 2.81Å; G57-I72 PolarHBondContact O-N 3.12Å; G57-I72 VanDerWaalsContact O-O 3.13Å; I59-I72 HydrophobicContact CB-CD1 4.42Å; I59-I72 HydrophobicContact CD1-CD1 3.24Å; I59-I72 HydrophobicContact CD1-CG1 4.41Å; I59-I72 HydrophobicContact CG1-CD1 3.46Å; I59-I72 VanDerWaalsContact CG1-CD1 3.46Å; I59-I72 HydrophobicContact CG1-CG1 4.16Å; I59-I72 HydrophobicContact CG2-CD1 4.09Å; I70-I72 HydrophobicContact CG2-CG1 4.34Å; I72-F74 HydrophobicContact CG2-CD1 4.27Å; I72-F74 HydrophobicContact CG2-CE1 3.74Å; I72-F74 HydrophobicContact CG2-CE2 4.02Å; I72-F74 HydrophobicContact CG2-CZ 3.6Å; I72-F88 CarbonylContact C-O 3.56Å; I72-F88 WeakPolarHBondContact CA-O 3.5Å; I72-L89 HydrophobicContact CG1-CD2 4.27Å; I72-I109 HydrophobicContact CD1-CD1 4.19Å; I72-I109 HydrophobicContact CG2-CD1 4.23Å; I72-M131 HydrophobicContact CD1-SD 3.86Å; I72-F135 HydrophobicContact CD1-CE2 4.05Å
73R95.4Very high90.5Very high72 Ų7247.8 Ų47.827%0.27225%0.253SS..EExtended strand (participates in β ladder)trans-123.9129.7174.6177.3-180-67.1165.3-10110.2N54 C87 F88N54-R73 VanDerWaalsContact OD1-CG 3.24Å; N54-R73 WeakPolarHBondContact OD1-CG 3.49Å; R73-C87 CarbonylContact O-C 3.5Å; R73-C87 WeakPolarHBondContact O-CA 3.32Å; R73-F88 HydrophobicContact CB-CB 4.44Å; R73-F88 PolarHBondContact N-O 3.45Å; R73-F88 PolarHBondContact O-N 3.19Å
74F95.9Very high91Very high0 Ų046.9 Ų46.90%026%0.255CS..EExtended strand (participates in β ladder)trans-111.5128.5169.9-56.7-64.8000110.3F35 F55 I72 I76 P85 I86 C87 I124 L127 I128 M131F35-F74 HydrophobicContact CD1-CD2 4.24Å; F35-F74 HydrophobicContact CD1-CE2 4.29Å; F35-F74 AromaticContact CE1-CD2 3.59Å; F35-F74 HydrophobicContact CE1-CD2 3.59Å; F35-F74 AromaticContact CE1-CE2 3.35Å; F35-F74 HydrophobicContact CE1-CE2 3.35Å; F35-F74 HydrophobicContact CZ-CD2 4.39Å; F35-F74 AromaticContact CZ-CE2 3.69Å; F35-F74 HydrophobicContact CZ-CE2 3.69Å; F55-F74 HydrophobicContact CB-CB 4.27Å; F55-F74 HydrophobicContact CD1-CD2 4.13Å; F55-F74 PolarHBondContact N-O 3.38Å; F55-F74 PolarHBondContact O-N 2.67Å; I72-F74 HydrophobicContact CG2-CD1 4.27Å; I72-F74 HydrophobicContact CG2-CE1 3.74Å; I72-F74 HydrophobicContact CG2-CE2 4.02Å; I72-F74 HydrophobicContact CG2-CZ 3.6Å; F74-I76 HydrophobicContact CB-CD1 3.93Å; F74-P85 HydrophobicContact CB-CB 4.42Å; F74-I86 CarbonylContact C-O 3.59Å; F74-I86 WeakPolarHBondContact CA-O 3.34Å; F74-C87 HydrophobicContact CD1-CB 4.07Å; F74-C87 WeakPolarHBondContact CD1-SG 3.39Å; F74-C87 HydrophobicContact CE1-CB 4.18Å; F74-I124 HydrophobicContact CE2-CG2 4.45Å; F74-L127 HydrophobicContact CE1-CD2 4.04Å; F74-I128 HydrophobicContact CE2-CD1 3.99Å; F74-I128 HydrophobicContact CE2-CG1 3.97Å; F74-I128 HydrophobicContact CZ-CD1 4.25Å; F74-I128 HydrophobicContact CZ-CG1 3.71Å; F74-M131 HydrophobicContact CE1-CE 3.74Å; F74-M131 HydrophobicContact CE1-SD 3.92Å; F74-M131 HydrophobicContact CZ-CE 4.42Å; F74-M131 HydrophobicContact CZ-SD 4.01Å
75W95.8Very high91.6Very high19 Ų1939.6 Ų39.67%0.07222%0.221CC..EExtended strand (participates in β ladder)trans-97.4112.4166.1-66.5101.2000108.7D40 Y42 L52 N54 P85 I86 F88D40-W75 HydrophobicContact CB-CH2 3.45Å; D40-W75 VanDerWaalsContact CB-CH2 3.45Å; D40-W75 HydrophobicContact CB-CZ3 3.67Å; D40-W75 WeakPolarHBondContact O-CZ3 3.42Å; Y42-W75 AromaticContact CD2-CD1 3.76Å; Y42-W75 AromaticContact CD2-CD2 3.61Å; Y42-W75 HydrophobicContact CD2-CD2 3.61Å; Y42-W75 AromaticContact CD2-CE2 3.51Å; Y42-W75 HydrophobicContact CD2-CE3 4.2Å; Y42-W75 AromaticContact CD2-CG 3.75Å; Y42-W75 HydrophobicContact CD2-CG 3.75Å; Y42-W75 HydrophobicContact CD2-CH2 4.46Å; Y42-W75 AromaticContact CD2-CZ2 3.98Å; Y42-W75 HydrophobicContact CD2-CZ2 3.98Å; Y42-W75 AromaticContact CD2-NE1 3.6Å; Y42-W75 AromaticContact CE2-CD1 3.72Å; Y42-W75 HydrophobicContact CE2-CD2 4.35Å; Y42-W75 HydrophobicContact CE2-CG 4.08Å; Y42-W75 AromaticContact CE2-NE1 3.75Å; Y42-W75 HydrophobicContact CG-CD2 4.31Å; L52-W75 HydrophobicContact CB-CE3 3.86Å; L52-W75 HydrophobicContact CB-CZ3 4.28Å; N54-W75 HydrophobicContact CB-CE3 3.99Å; N54-W75 HydrophobicContact CB-CH2 4.22Å; N54-W75 HydrophobicContact CB-CZ3 3.82Å; W75-P85 CarbonylContact O-C 3.6Å; W75-P85 WeakPolarHBondContact O-CA 3.32Å; W75-I86 HydrophobicContact CB-CB 4.12Å; W75-I86 PolarHBondContact N-O 3.2Å; W75-I86 PolarHBondContact O-N 2.99Å; W75-F88 AromaticContact CD1-CD2 3.74Å; W75-F88 AromaticContact CD1-CE2 3.83Å
76I95.3Very high92.2Very high0 Ų037.1 Ų37.10%019%0.192CC..EExtended strand (participates in β ladder)trans-87.8119.6-178.7-48.2-53.4000108.2Y15 T21 L53 F74 H80 P85 I124Y15-I76 HydrophobicContact CE1-CB 4.49Å; Y15-I76 HydrophobicContact CE1-CG2 4.15Å; Y15-I76 WeakPolarHBondContact CE1-O 3.23Å; Y15-I76 PolarHBondContact OH-O 3.21Å; T21-I76 HydrophobicContact CG2-CG2 3.93Å; L53-I76 HydrophobicContact CB-CB 4.22Å; L53-I76 HydrophobicContact CD2-CB 4.39Å; L53-I76 HydrophobicContact CD2-CG1 4.07Å; L53-I76 PolarHBondContact O-N 3.37Å; F74-I76 HydrophobicContact CB-CD1 3.93Å; I76-H80 HydrophobicContact CG2-CB 3.51Å; I76-H80 VanDerWaalsContact CG2-CG 3.43Å; I76-P85 HydrophobicContact CD1-CB 3.75Å; I76-I124 HydrophobicContact CD1-CD1 3.79Å
77L93.3Very high92.8Very high29 Ų2932.6 Ų32.615%0.15217%0.167CC..  trans-73.6155.5178.8-65.6169.8000111.4Y15 F44 L52 S79 H80 A83 P84 I86Y15-L77 VanDerWaalsContact CE1-C 3.48Å; Y15-L77 WeakPolarHBondContact CE1-O 3.33Å; F44-L77 HydrophobicContact CE1-CD2 4.23Å; F44-L77 HydrophobicContact CZ-CD2 4.11Å; L52-L77 HydrophobicContact CD1-CD2 3.86Å; L77-S79 PolarHBondContact O-N 3.45Å; L77-S79 VanDerWaalsContact O-N 3.15Å; L77-H80 WeakPolarHBondContact O-CB 3.49Å; L77-H80 PolarHBondContact O-N 3.03Å; L77-A83 HydrophobicContact CD1-CB 4.01Å; L77-P84 WeakPolarHBondContact CD1-O 3.47Å; L77-I86 HydrophobicContact CD2-CD1 4.2Å
78D90.4Very high93.1Very high33 Ų3330 Ų3018%0.17615%0.149CC..THydrogen-bonded Turntrans-65.7-14.1177.665.3-40.2000114.5Y15 K16 K50Y15-D78 HydrophobicContact CD1-CB 4.42Å; Y15-D78 HydrophobicContact CD2-CB 4.26Å; Y15-D78 HydrophobicContact CE2-CB 4.37Å; Y15-D78 HydrophobicContact CG-CB 4.25Å; K16-D78 PolarHBondContact N-O 2.83Å; K50-D78 WeakPolarHBondContact CE-OD2 3.19Å; K50-D78 IonicContact NZ-OD1 2.76Å; K50-D78 PolarHBondContact NZ-OD1 2.94Å; K50-D78 IonicContact NZ-OD2 3.13Å; K50-D78 PolarHBondContact NZ-OD2 2.85Å
79S91.2Very high93.3Very high38 Ų3825.9 Ų25.927%0.26613%0.133SC..THydrogen-bonded Turntrans-95.1-2.2173.351.90000114.1L77 F82 A83L77-S79 PolarHBondContact O-N 3.45Å; L77-S79 VanDerWaalsContact O-N 3.15Å; S79-F82 PolarHBondContact O-N 3.39Å; S79-F82 VanDerWaalsContact O-N 3.07Å; S79-A83 PolarHBondContact O-N 3.02Å; S79-A83 WeakPolarHBondContact OG-CB 3.49Å
80H91.8Very high93.3Very high0 Ų025.5 Ų25.50%013%0.127CC..THydrogen-bonded Turntrans-60141.4172.4-172.477.6000110.4F17 T21 E24 I76 L77 A83 W117F17-H80 WeakPolarHBondContact CB-O 3.34Å; T21-H80 PolarHBondContact OG1-O 2.85Å; E24-H80 IonicContact OE1-CE1 3.93Å; E24-H80 IonicContact OE1-NE2 3.55Å; E24-H80 IonicContact OE2-CE1 3.43Å; E24-H80 IonicContact OE2-NE2 2.83Å; E24-H80 PolarHBondContact OE2-NE2 3.18Å; I76-H80 HydrophobicContact CG2-CB 3.51Å; I76-H80 VanDerWaalsContact CG2-CG 3.43Å; L77-H80 WeakPolarHBondContact O-CB 3.49Å; L77-H80 PolarHBondContact O-N 3.03Å; H80-A83 PolarHBondContact ND1-O 3.34Å; H80-W117 AromaticContact CE1-CZ2 3.94Å
81P91.8Very high93.1Very high0 Ų027.7 Ų27.70%014%0.141CC..THydrogen-bonded Turncis-87.80.910.137.4-38.8000116.1L20 E24 A83 W117 H119L20-P81 HydrophobicContact CB-CG 4.11Å; L20-P81 HydrophobicContact CD1-CG 4.36Å; E24-P81 WeakPolarHBondContact OE2-CB 3.39Å; P81-A83 VanDerWaalsContact C-N 3.29Å; P81-A83 PolarHBondContact O-N 3.14Å; P81-W117 PolarHBondContact O-NE1 2.91Å; P81-H119 WeakPolarHBondContact CB-ND1 3.29Å; P81-H119 VanDerWaalsContact CG-CE1 3.46Å; P81-H119 WeakPolarHBondContact CG-CE1 3.42Å; P81-H119 WeakPolarHBondContact CG-ND1 3.28Å
82F91.5Very high92.5Very high110 Ų11030.8 Ų30.848%0.48216%0.16SC..THydrogen-bonded Turntrans-75.1-19.7-179.2-62-86.1000113.2F17 L20 S79 H119F17-F82 HydrophobicContact CD1-CD2 4.15Å; F17-F82 AromaticContact CD1-CE2 3.65Å; F17-F82 HydrophobicContact CD1-CE2 3.65Å; F17-F82 AromaticContact CD2-CD2 3.52Å; F17-F82 HydrophobicContact CD2-CD2 3.52Å; F17-F82 AromaticContact CD2-CE2 3.9Å; F17-F82 HydrophobicContact CD2-CE2 3.9Å; F17-F82 HydrophobicContact CE1-CD2 4.03Å; F17-F82 AromaticContact CE1-CE2 3.62Å; F17-F82 HydrophobicContact CE1-CE2 3.62Å; F17-F82 AromaticContact CE2-CD2 3.38Å; F17-F82 HydrophobicContact CE2-CD2 3.38Å; F17-F82 AromaticContact CE2-CE2 3.87Å; F17-F82 HydrophobicContact CE2-CE2 3.87Å; F17-F82 HydrophobicContact CE2-CG 4.33Å; F17-F82 AromaticContact CG-CD2 3.9Å; F17-F82 HydrophobicContact CG-CD2 3.9Å; F17-F82 AromaticContact CG-CE2 3.78Å; F17-F82 HydrophobicContact CG-CE2 3.78Å; F17-F82 AromaticContact CZ-CD2 3.64Å; F17-F82 HydrophobicContact CZ-CD2 3.64Å; F17-F82 AromaticContact CZ-CE2 3.72Å; F17-F82 HydrophobicContact CZ-CE2 3.72Å; L20-F82 HydrophobicContact CD1-CE2 4.42Å; S79-F82 PolarHBondContact O-N 3.39Å; S79-F82 VanDerWaalsContact O-N 3.07Å; F82-H119 HydrophobicContact CD1-CB 4.23Å; F82-H119 AromaticContact CE1-CD2 3.79Å; F82-H119 AromaticContact CZ-CD2 3.94Å
83A90.4Very high91.4Very high17 Ų1735.5 Ų35.514%0.1420%0.199CC..SBendtrans-108.3142.1167.800000111.3L77 S79 H80 P81L77-A83 HydrophobicContact CD1-CB 4.01Å; S79-A83 PolarHBondContact O-N 3.02Å; S79-A83 WeakPolarHBondContact OG-CB 3.49Å; H80-A83 PolarHBondContact ND1-O 3.34Å; P81-A83 VanDerWaalsContact C-N 3.29Å; P81-A83 PolarHBondContact O-N 3.14Å
84P94.6Very high90.5Very high43 Ų4337 Ų3728%0.27921%0.213SC..PPolyproline II helixtrans-66.4150.7176.126.5-32.9000111.3L77 L114 W117L77-P84 WeakPolarHBondContact CD1-O 3.47Å; P84-L114 HydrophobicContact CB-CD2 3.98Å; P84-W117 HydrophobicContact CB-CB 3.79Å; P84-W117 HydrophobicContact CB-CD2 3.73Å; P84-W117 HydrophobicContact CB-CE3 3.98Å; P84-W117 HydrophobicContact CB-CG 3.63Å; P84-W117 HydrophobicContact CG-CB 4.05Å; P84-W117 HydrophobicContact CG-CG 4.21Å
85P95.6Very high90Very high5 Ų540.1 Ų40.13%0.03223%0.228CC..PPolyproline II helixtrans-69.1154.1170.431.7-36.1000111.6F74 W75 I76 L114 I124 L127F74-P85 HydrophobicContact CB-CB 4.42Å; W75-P85 CarbonylContact O-C 3.6Å; W75-P85 WeakPolarHBondContact O-CA 3.32Å; I76-P85 HydrophobicContact CD1-CB 3.75Å; P85-L114 HydrophobicContact CG-CD2 4.48Å; P85-I124 HydrophobicContact CG-CG1 4.36Å; P85-L127 HydrophobicContact CG-CD2 3.72Å
86I95.1Very high89.3Confident18 Ų1843.4 Ų43.49%0.09224%0.244CC..EExtended strand (participates in β ladder)trans-90124.2170.7-44.7174.8000108.4Y42 F44 F74 W75 L77 F88Y42-I86 HydrophobicContact CD1-CD1 4.5Å; Y42-I86 HydrophobicContact CE1-CD1 3.78Å; F44-I86 HydrophobicContact CE1-CD1 4.32Å; F74-I86 CarbonylContact C-O 3.59Å; F74-I86 WeakPolarHBondContact CA-O 3.34Å; W75-I86 HydrophobicContact CB-CB 4.12Å; W75-I86 PolarHBondContact N-O 3.2Å; W75-I86 PolarHBondContact O-N 2.99Å; L77-I86 HydrophobicContact CD2-CD1 4.2Å; I86-F88 HydrophobicContact CB-CE2 4.36Å; I86-F88 HydrophobicContact CG2-CD2 4.23Å; I86-F88 HydrophobicContact CG2-CE2 3.44Å; I86-F88 VanDerWaalsContact CG2-CE2 3.44Å; I86-F88 HydrophobicContact CG2-CZ 4.08Å
87C95.6Very high88.9Confident1 Ų145 Ų451%0.00725%0.252CS..EExtended strand (participates in β ladder)trans-112.5135.6-167.9-54.60000111.5R73 F74 R108 I109 L114 M131R73-C87 CarbonylContact O-C 3.5Å; R73-C87 WeakPolarHBondContact O-CA 3.32Å; F74-C87 HydrophobicContact CD1-CB 4.07Å; F74-C87 WeakPolarHBondContact CD1-SG 3.39Å; F74-C87 HydrophobicContact CE1-CB 4.18Å; C87-R108 WeakPolarHBondContact O-CA 3.27Å; C87-R108 WeakPolarHBondContact O-CG 3.47Å; C87-I109 HydrophobicContact CB-CB 3.91Å; C87-I109 HydrophobicContact CB-CD1 4.23Å; C87-I109 HydrophobicContact CB-CG1 4.41Å; C87-I109 PolarHBondContact O-N 3.21Å; C87-L114 HydrophobicContact CB-CD1 4.4Å; C87-M131 HydrophobicContact CB-CE 3.65Å
88F94.1Very high88.5Confident33 Ų3345.4 Ų45.415%0.14526%0.258CS..EExtended strand (participates in β ladder)trans-137.8150.2176.5-67.4-95.4000111.3Y42 I72 R73 W75 I86 G107 R108Y42-F88 AromaticContact CE2-CE2 3.96Å; Y42-F88 HydrophobicContact CE2-CE2 3.96Å; Y42-F88 HydrophobicContact CE2-CZ 4.34Å; I72-F88 CarbonylContact C-O 3.56Å; I72-F88 WeakPolarHBondContact CA-O 3.5Å; R73-F88 HydrophobicContact CB-CB 4.44Å; R73-F88 PolarHBondContact N-O 3.45Å; R73-F88 PolarHBondContact O-N 3.19Å; W75-F88 AromaticContact CD1-CD2 3.74Å; W75-F88 AromaticContact CD1-CE2 3.83Å; I86-F88 HydrophobicContact CB-CE2 4.36Å; I86-F88 HydrophobicContact CG2-CD2 4.23Å; I86-F88 HydrophobicContact CG2-CE2 3.44Å; I86-F88 VanDerWaalsContact CG2-CE2 3.44Å; I86-F88 HydrophobicContact CG2-CZ 4.08Å; F88-G107 CarbonylContact C-O 3.6Å; F88-G107 WeakPolarHBondContact CA-O 3.17Å; F88-R108 HydrophobicContact CD1-CB 3.72Å; F88-R108 HydrophobicContact CD1-CG 4.16Å; F88-R108 HydrophobicContact CE1-CB 3.51Å; F88-R108 HydrophobicContact CE1-CG 3.77Å; F88-R108 HydrophobicContact CE2-CG 4.46Å; F88-R108 HydrophobicContact CZ-CB 4.2Å; F88-R108 HydrophobicContact CZ-CG 3.94Å
89L92.9Very high88.1Confident10 Ų1048.1 Ų48.15%0.05228%0.275CS..EExtended strand (participates in β ladder)trans-71.8152160.5-61.3170.6000109.4I70 P71 I72 I97 V103 G107 I109 F135 P140 L141I70-L89 HydrophobicContact CG2-CD2 3.69Å; P71-L89 WeakPolarHBondContact O-CA 3.29Å; I72-L89 HydrophobicContact CG1-CD2 4.27Å; L89-I97 HydrophobicContact CD1-CG1 4.21Å; L89-I97 HydrophobicContact CD1-CG2 4.06Å; L89-V103 HydrophobicContact CD1-CB 4.46Å; L89-V103 HydrophobicContact CD1-CG1 3.43Å; L89-V103 VanDerWaalsContact CD1-CG1 3.43Å; L89-V103 HydrophobicContact CD1-CG2 4.25Å; L89-V103 HydrophobicContact CG-CG1 4.28Å; L89-G107 PolarHBondContact N-O 2.69Å; L89-I109 HydrophobicContact CD2-CD1 4.1Å; L89-I109 HydrophobicContact CG-CD1 4.33Å; L89-I109 HydrophobicContact CG-CG1 4.32Å; L89-F135 HydrophobicContact CD2-CE2 4.24Å; L89-F135 HydrophobicContact CD2-CZ 4.4Å; L89-P140 HydrophobicContact CD1-CB 3.79Å; L89-P140 HydrophobicContact CD1-CG 4.42Å; L89-P140 HydrophobicContact CD2-CB 4.36Å; L89-P140 HydrophobicContact CD2-CG 4.19Å; L89-L141 HydrophobicContact CB-CD2 4.46Å; L89-L141 HydrophobicContact CD1-CD2 3.94Å; L89-L141 HydrophobicContact CD1-CG 4.29Å
90K90.4Very high87.6Confident90 Ų9047.4 Ų47.439%0.39127%0.274SS..  trans-12873.7174.8-169.1-173.9179-175.30110.1T56 P71T56-K90 HydrophobicContact CG2-CD 3.52Å; P71-K90 HydrophobicContact CB-CB 4.32Å; P71-K90 WeakPolarHBondContact CB-O 3.29Å; P71-K90 WeakPolarHBondContact CG-O 3.49Å; P71-K90 PolarHBondContact O-N 2.78Å
91P86.8Confident87.3Confident50 Ų5056 Ų5633%0.32531%0.311SS..  trans-54.9147.8-176.7-18.128.6000111.9M95 I97 L141P91-M95 HydrophobicContact CB-CB 3.97Å; P91-M95 WeakPolarHBondContact CB-O 3.48Å; P91-I97 HydrophobicContact CG-CD1 3.6Å; P91-I97 HydrophobicContact CG-CG1 3.47Å; P91-I97 VanDerWaalsContact CG-CG1 3.47Å; P91-L141 HydrophobicContact CB-CD2 4.23Å; P91-L141 HydrophobicContact CG-CD2 3.9Å
92T80.5Confident87.1Confident79 Ų7957.6 Ų57.649%0.48532%0.319SS..  trans-84170.2165.6630000109.9N94 M95T92-N94 PolarHBondContact O-N 3.31Å; T92-M95 HydrophobicContact CG2-SD 4.2Å; T92-M95 PolarHBondContact O-N 3.08Å; T92-M95 WeakPolarHBondContact OG1-CG 3.4Å; T92-M95 PolarHBondContact OG1-SD 3.03Å
93A71.5Confident86.9Confident98 Ų9852.7 Ų52.781%0.8130%0.298SS*.THydrogen-bonded Turntrans-56.5-22.2-176.800000114.6
94N77.1Confident86.6Confident104 Ų10453.7 Ų53.756%0.55630%0.301SS*.THydrogen-bonded Turntrans-107.115.9-179.6-56.4-12000112.3T92 S143 L144T92-N94 PolarHBondContact O-N 3.31Å; N94-S143 WeakPolarHBondContact O-CA 3.41Å; N94-L144 PolarHBondContact O-N 3.37Å
95M83.6Confident85.8Confident66 Ų6654.4 Ų54.433%0.32531%0.31SS..EExtended strand (participates in β ladder)trans-120.3134.6178.3-70.2172.8174.900109.7P71 P91 T92 L141 Y142P71-M95 HydrophobicContact CG-SD 4.13Å; P91-M95 HydrophobicContact CB-CB 3.97Å; P91-M95 WeakPolarHBondContact CB-O 3.48Å; T92-M95 HydrophobicContact CG2-SD 4.2Å; T92-M95 PolarHBondContact O-N 3.08Å; T92-M95 WeakPolarHBondContact OG1-CG 3.4Å; T92-M95 PolarHBondContact OG1-SD 3.03Å; M95-L141 HydrophobicContact SD-CD1 4.09Å; M95-Y142 WeakPolarHBondContact CA-O 3.48Å
96E82.3Confident85.2Confident87 Ų8760.1 Ų60.141%0.40734%0.337SS..EExtended strand (participates in β ladder)trans-115.2146.8173.4-170.9167.7-17900110.2L141 Y142 L144E96-L141 CarbonylContact O-C 3.53Å; E96-L141 VanDerWaalsContact O-CA 3.24Å; E96-L141 WeakPolarHBondContact O-CA 3.43Å; E96-Y142 HydrophobicContact CB-CD2 4.29Å; E96-Y142 HydrophobicContact CB-CE1 3.98Å; E96-Y142 HydrophobicContact CB-CE2 3.75Å; E96-Y142 HydrophobicContact CG-CE1 4.09Å; E96-Y142 HydrophobicContact CG-CE2 4.25Å; E96-Y142 WeakPolarHBondContact CG-OH 3.25Å; E96-Y142 PolarHBondContact N-O 3.25Å; E96-Y142 PolarHBondContact O-N 3.36Å; E96-Y142 PolarHBondContact OE1-OH 3.03Å; E96-Y142 PolarHBondContact OE2-OH 3.04Å; E96-Y142 VanDerWaalsContact OE2-OH 3.04Å; E96-L144 HydrophobicContact CB-CG 4.45Å
97I86.7Confident84.7Confident33 Ų3359.2 Ų59.217%0.16933%0.332CS..EExtended strand (participates in β ladder)trans-78.5124-179.7-64.4161.3000109.7L89 P91 V99 V103 L141L89-I97 HydrophobicContact CD1-CG1 4.21Å; L89-I97 HydrophobicContact CD1-CG2 4.06Å; P91-I97 HydrophobicContact CG-CD1 3.6Å; P91-I97 HydrophobicContact CG-CG1 3.47Å; P91-I97 VanDerWaalsContact CG-CG1 3.47Å; I97-V99 PolarHBondContact O-N 2.71Å; I97-V103 HydrophobicContact CG2-CG1 3.86Å; I97-L141 HydrophobicContact CB-CD2 4.29Å; I97-L141 HydrophobicContact CG1-CD2 3.62Å
98S83.9Confident84.6Confident39 Ų3962 Ų6227%0.27334%0.342SS..  trans-84.5106.5166.4-167.70000108.5G100 L139 P140S98-G100 PolarHBondContact O-N 2.91Å; S98-L139 WeakPolarHBondContact CB-O 3.4Å; S98-P140 PolarHBondContact N-O 3.26Å
99V84Confident84.5Confident89 Ų8960.6 Ų60.654%0.53934%0.336SS..  trans-69.3122.1176.2-177.50000108.5I97 A105I97-V99 PolarHBondContact O-N 2.71Å; V99-A105 HydrophobicContact CG2-CB 3.94Å
100G80.4Confident84.5Confident24 Ų2464.3 Ų64.325%0.24735%0.35CS..BIsolated β-bridgetrans-140.1-167.4-173.200000112S98 H102 V103 E138S98-G100 PolarHBondContact O-N 2.91Å; G100-H102 PolarHBondContact O-N 3Å; G100-H102 VanDerWaalsContact O-N 3.16Å; G100-V103 PolarHBondContact N-O 3.22Å; G100-V103 VanDerWaalsContact N-O 3.15Å; G100-V103 PolarHBondContact O-N 3.5Å; G100-V103 VanDerWaalsContact O-O 3.11Å; G100-E138 VanDerWaalsContact CA-OE1 3.27Å; G100-E138 WeakPolarHBondContact CA-OE1 3.41Å
101K84.6Confident84.5Confident180 Ų18060 Ų6078%0.78333%0.332SS*.THydrogen-bonded Turntrans-62.4-26.7-177.4-66.9177.4-176.1169.90113.7E138K101-E138 PolarHBondContact N-OE2 2.89Å
102H87.1Confident84.6Confident34 Ų3460.7 Ų60.716%0.15734%0.336CS..THydrogen-bonded Turntrans-115.70.7-171.5-61.8-54.5000113.7G100 I109 Y110 L111G100-H102 PolarHBondContact O-N 3Å; G100-H102 VanDerWaalsContact O-N 3.16Å; H102-I109 CarbonylContact O-C 3.54Å; H102-I109 WeakPolarHBondContact O-CA 3.39Å; H102-Y110 WeakPolarHBondContact CA-O 3.18Å; H102-Y110 WeakPolarHBondContact CB-O 3.45Å; H102-Y110 PolarHBondContact ND1-O 2.99Å; H102-Y110 PolarHBondContact O-N 3.19Å; H102-L111 HydrophobicContact CB-CD2 3.9Å
103V88.5Confident85.2Confident7 Ų759.3 Ų59.34%0.04232%0.322CS..BIsolated β-bridgetrans-142.4127.7-174.6-178.40000109.6L89 I97 G100 R108 I109 F135 P140L89-V103 HydrophobicContact CD1-CB 4.46Å; L89-V103 HydrophobicContact CD1-CG1 3.43Å; L89-V103 VanDerWaalsContact CD1-CG1 3.43Å; L89-V103 HydrophobicContact CD1-CG2 4.25Å; L89-V103 HydrophobicContact CG-CG1 4.28Å; I97-V103 HydrophobicContact CG2-CG1 3.86Å; G100-V103 PolarHBondContact N-O 3.22Å; G100-V103 VanDerWaalsContact N-O 3.15Å; G100-V103 PolarHBondContact O-N 3.5Å; G100-V103 VanDerWaalsContact O-O 3.11Å; V103-R108 WeakPolarHBondContact CA-O 3.29Å; V103-I109 HydrophobicContact CG2-CG1 4.34Å; V103-F135 HydrophobicContact CG2-CE1 3.63Å; V103-F135 HydrophobicContact CG2-CZ 3.89Å; V103-P140 HydrophobicContact CG2-CB 3.88Å
104D83.9Confident86.1Confident37 Ų3755.8 Ų55.820%0.19829%0.29CS..  trans-86.1174174.476.210.4000113.2Q106 G107 R108 Y110D104-Q106 PolarHBondContact O-N 3.25Å; D104-Q106 VanDerWaalsContact O-N 3.09Å; D104-Q106 WeakPolarHBondContact OD1-CA 3.33Å; D104-Q106 WeakPolarHBondContact OD1-CB 3.26Å; D104-Q106 PolarHBondContact OD1-N 3.29Å; D104-G107 WeakPolarHBondContact O-CA 3.41Å; D104-G107 PolarHBondContact O-N 2.84Å; D104-G107 PolarHBondContact OD1-N 3.28Å; D104-G107 VanDerWaalsContact OD1-N 3.16Å; D104-R108 PolarHBondContact N-O 2.8Å; D104-R108 WeakPolarHBondContact OD1-CA 3.37Å; D104-R108 VanDerWaalsContact OD1-CB 3.27Å; D104-R108 WeakPolarHBondContact OD1-CB 3.28Å; D104-R108 PolarHBondContact OD1-N 2.92Å; D104-R108 WeakPolarHBondContact OD2-CB 3.26Å; D104-Y110 HydrophobicContact CB-CD2 4.48Å; D104-Y110 HydrophobicContact CB-CE2 3.9Å; D104-Y110 WeakPolarHBondContact OD2-CE2 3.16Å
105A77.9Confident86.6Confident58 Ų5858 Ų5848%0.47930%0.297SS..THydrogen-bonded Turntrans-60.5-19.5179.700000114.4V99V99-A105 HydrophobicContact CG2-CB 3.94Å
106Q82Confident86.9Confident125 Ų12560.8 Ų60.858%0.58431%0.313SS*.THydrogen-bonded Turntrans-92.45.2179.4-74.459-86.100110.6D104 R108D104-Q106 PolarHBondContact O-N 3.25Å; D104-Q106 VanDerWaalsContact O-N 3.09Å; D104-Q106 WeakPolarHBondContact OD1-CA 3.33Å; D104-Q106 WeakPolarHBondContact OD1-CB 3.26Å; D104-Q106 PolarHBondContact OD1-N 3.29Å; Q106-R108 PolarHBondContact O-N 3.16Å
107G86.1Confident87.4Confident0 Ų057.9 Ų57.90%030%0.298CS..  trans75.87.6-176.200000113F88 L89 D104 I109F88-G107 CarbonylContact C-O 3.6Å; F88-G107 WeakPolarHBondContact CA-O 3.17Å; L89-G107 PolarHBondContact N-O 2.69Å; D104-G107 WeakPolarHBondContact O-CA 3.41Å; D104-G107 PolarHBondContact O-N 2.84Å; D104-G107 PolarHBondContact OD1-N 3.28Å; D104-G107 VanDerWaalsContact OD1-N 3.16Å; G107-I109 PolarHBondContact O-N 3.28Å
108R92.4Very high87.7Confident59 Ų5959.4 Ų59.422%0.22331%0.312CS..BIsolated β-bridgetrans-70.6132.4179.1-168.1173.1169.2167.83.1109.8C87 F88 V103 D104 Q106 Y110C87-R108 WeakPolarHBondContact O-CA 3.27Å; C87-R108 WeakPolarHBondContact O-CG 3.47Å; F88-R108 HydrophobicContact CD1-CB 3.72Å; F88-R108 HydrophobicContact CD1-CG 4.16Å; F88-R108 HydrophobicContact CE1-CB 3.51Å; F88-R108 HydrophobicContact CE1-CG 3.77Å; F88-R108 HydrophobicContact CE2-CG 4.46Å; F88-R108 HydrophobicContact CZ-CB 4.2Å; F88-R108 HydrophobicContact CZ-CG 3.94Å; V103-R108 WeakPolarHBondContact CA-O 3.29Å; D104-R108 PolarHBondContact N-O 2.8Å; D104-R108 WeakPolarHBondContact OD1-CA 3.37Å; D104-R108 VanDerWaalsContact OD1-CB 3.27Å; D104-R108 WeakPolarHBondContact OD1-CB 3.28Å; D104-R108 PolarHBondContact OD1-N 2.92Å; D104-R108 WeakPolarHBondContact OD2-CB 3.26Å; Q106-R108 PolarHBondContact O-N 3.16Å; R108-Y110 HydrophobicContact CB-CE2 3.94Å; R108-Y110 WeakPolarHBondContact CD-OH 3.14Å; R108-Y110 HydrophobicContact CG-CE2 3.97Å; R108-Y110 WeakPolarHBondContact O-CD2 3.42Å
109I92.9Very high87.9Confident3 Ų360 Ų602%0.01531%0.31CS..BIsolated β-bridgetrans-95.7129-175-53.1168.9000109.8I72 C87 L89 H102 V103 G107 L111 L114 M131 F135I72-I109 HydrophobicContact CD1-CD1 4.19Å; I72-I109 HydrophobicContact CG2-CD1 4.23Å; C87-I109 HydrophobicContact CB-CB 3.91Å; C87-I109 HydrophobicContact CB-CD1 4.23Å; C87-I109 HydrophobicContact CB-CG1 4.41Å; C87-I109 PolarHBondContact O-N 3.21Å; L89-I109 HydrophobicContact CD2-CD1 4.1Å; L89-I109 HydrophobicContact CG-CD1 4.33Å; L89-I109 HydrophobicContact CG-CG1 4.32Å; H102-I109 CarbonylContact O-C 3.54Å; H102-I109 WeakPolarHBondContact O-CA 3.39Å; V103-I109 HydrophobicContact CG2-CG1 4.34Å; G107-I109 PolarHBondContact O-N 3.28Å; I109-L111 HydrophobicContact CG2-CD1 4.21Å; I109-L111 HydrophobicContact CG2-CG 3.96Å; I109-L114 WeakPolarHBondContact O-CD1 3.47Å; I109-M131 HydrophobicContact CB-CE 4.12Å; I109-M131 HydrophobicContact CD1-CE 3.81Å; I109-M131 HydrophobicContact CD1-SD 4.08Å; I109-M131 HydrophobicContact CG2-CE 3.77Å; I109-F135 HydrophobicContact CD1-CE2 4.27Å; I109-F135 HydrophobicContact CD1-CZ 3.97Å; I109-F135 HydrophobicContact CG1-CZ 4.2Å; I109-F135 HydrophobicContact CG2-CZ 4.06Å
110Y91.5Very high88.1Confident88 Ų8860.5 Ų60.535%0.34532%0.315SS..  trans-120.3109178.3-65-84.8000109.8H102 D104 R108H102-Y110 WeakPolarHBondContact CA-O 3.18Å; H102-Y110 WeakPolarHBondContact CB-O 3.45Å; H102-Y110 PolarHBondContact ND1-O 2.99Å; H102-Y110 PolarHBondContact O-N 3.19Å; D104-Y110 HydrophobicContact CB-CD2 4.48Å; D104-Y110 HydrophobicContact CB-CE2 3.9Å; D104-Y110 WeakPolarHBondContact OD2-CE2 3.16Å; R108-Y110 HydrophobicContact CB-CE2 3.94Å; R108-Y110 WeakPolarHBondContact CD-OH 3.14Å; R108-Y110 HydrophobicContact CG-CE2 3.97Å; R108-Y110 WeakPolarHBondContact O-CD2 3.42Å
111L91.9Very high88.5Confident1 Ų168 Ų681%0.00534%0.341CS..  trans-123.2145.3177.6-68.1176000110.7H102 I109 Y113 L114 Q115 L127 E130 M131 K134H102-L111 HydrophobicContact CB-CD2 3.9Å; I109-L111 HydrophobicContact CG2-CD1 4.21Å; I109-L111 HydrophobicContact CG2-CG 3.96Å; L111-Y113 PolarHBondContact O-N 2.96Å; L111-Y113 VanDerWaalsContact O-N 3.14Å; L111-L114 HydrophobicContact CB-CD1 4.4Å; L111-L114 HydrophobicContact CB-CG 4.42Å; L111-L114 WeakPolarHBondContact O-CB 3.26Å; L111-L114 PolarHBondContact O-N 2.87Å; L111-Q115 PolarHBondContact O-N 2.96Å; L111-L127 HydrophobicContact CD1-CD1 3.97Å; L111-E130 HydrophobicContact CD1-CB 4.49Å; L111-E130 HydrophobicContact CD1-CG 4.29Å; L111-M131 HydrophobicContact CD1-CB 4.26Å; L111-M131 HydrophobicContact CD1-CE 4.17Å; L111-M131 HydrophobicContact CD1-CG 3.34Å; L111-K134 HydrophobicContact CD2-CB 4.15Å; L111-K134 HydrophobicContact CD2-CG 3.89Å
112P89.1Confident88.9Confident63 Ų6359.9 Ų59.941%0.40931%0.307SS..Hα-helixtrans-52.9-33.4170.2-26.735.2000112.6L114 Q115 N116P112-L114 VanDerWaalsContact C-N 3.3Å; P112-L114 PolarHBondContact O-N 3.29Å; P112-Q115 PolarHBondContact O-N 3.35Å; P112-Q115 VanDerWaalsContact O-N 3.16Å; P112-N116 PolarHBondContact O-N 2.79Å
113Y91.1Very high89.2Confident50 Ų5060.6 Ų60.620%0.19631%0.313CS..Hα-helixtrans-62.3-32.5175.4-168-82.9000113.4L111 W117 S122 V123 L127L111-Y113 PolarHBondContact O-N 2.96Å; L111-Y113 VanDerWaalsContact O-N 3.14Å; Y113-W117 HydrophobicContact CD1-CE3 4.14Å; Y113-W117 HydrophobicContact CD1-CZ3 4.25Å; Y113-W117 AromaticContact CE1-CE3 3.92Å; Y113-W117 HydrophobicContact CE1-CE3 3.92Å; Y113-W117 AromaticContact CE1-CZ3 3.74Å; Y113-W117 HydrophobicContact CE1-CZ3 3.74Å; Y113-W117 PolarHBondContact O-N 3.05Å; Y113-S122 WeakPolarHBondContact OH-CA 3.37Å; Y113-V123 PolarHBondContact OH-N 2.92Å; Y113-V123 VanDerWaalsContact OH-N 3.09Å; Y113-V123 PolarHBondContact OH-O 2.88Å; Y113-V123 VanDerWaalsContact OH-O 3.06Å; Y113-L127 HydrophobicContact CD1-CB 3.93Å; Y113-L127 HydrophobicContact CD1-CD1 3.86Å; Y113-L127 HydrophobicContact CE1-CB 3.78Å
114L90.4Very high89.5Confident25 Ų2560.2 Ų60.213%0.13131%0.311CS..Hα-helixtrans-74.9-34.6174-70.6168.7000111.9P84 P85 C87 I109 L111 P112 W117 L127P84-L114 HydrophobicContact CB-CD2 3.98Å; P85-L114 HydrophobicContact CG-CD2 4.48Å; C87-L114 HydrophobicContact CB-CD1 4.4Å; I109-L114 WeakPolarHBondContact O-CD1 3.47Å; L111-L114 HydrophobicContact CB-CD1 4.4Å; L111-L114 HydrophobicContact CB-CG 4.42Å; L111-L114 WeakPolarHBondContact O-CB 3.26Å; L111-L114 PolarHBondContact O-N 2.87Å; P112-L114 VanDerWaalsContact C-N 3.3Å; P112-L114 PolarHBondContact O-N 3.29Å; L114-W117 WeakPolarHBondContact O-CB 3.23Å; L114-L127 HydrophobicContact CD1-CD1 4.26Å; L114-L127 HydrophobicContact CD2-CD1 3.65Å; L114-L127 HydrophobicContact CD2-CD2 3.71Å; L114-L127 HydrophobicContact CD2-CG 4.34Å; L114-L127 HydrophobicContact CG-CD1 3.64Å
115Q88.4Confident89.9Confident151 Ų15159 Ų5971%0.70631%0.305SS*.Hα-helixtrans-71.4-38.9178.5-66.6179.6-10.200111.8L111 P112 W117L111-Q115 PolarHBondContact O-N 2.96Å; P112-Q115 PolarHBondContact O-N 3.35Å; P112-Q115 VanDerWaalsContact O-N 3.16Å; Q115-W117 VanDerWaalsContact C-N 3.29Å; Q115-W117 PolarHBondContact O-N 3.27Å
116N89.9Confident90.6Very high124 Ų12457.1 Ų57.166%0.66329%0.291SS*.THydrogen-bonded Turntrans-94.624.4-179.8-62.7-27.1000112.7P112 S118P112-N116 PolarHBondContact O-N 2.79Å; N116-S118 PolarHBondContact O-N 2.6Å
117W93.8Very high91.2Very high26 Ų2651.1 Ų51.110%0.09826%0.263CS..  trans-62.1121.7-176.1-174.8-83.4000111.5H80 P81 P84 Y113 L114 Q115 S122 I124 L127H80-W117 AromaticContact CE1-CZ2 3.94Å; P81-W117 PolarHBondContact O-NE1 2.91Å; P84-W117 HydrophobicContact CB-CB 3.79Å; P84-W117 HydrophobicContact CB-CD2 3.73Å; P84-W117 HydrophobicContact CB-CE3 3.98Å; P84-W117 HydrophobicContact CB-CG 3.63Å; P84-W117 HydrophobicContact CG-CB 4.05Å; P84-W117 HydrophobicContact CG-CG 4.21Å; Y113-W117 HydrophobicContact CD1-CE3 4.14Å; Y113-W117 HydrophobicContact CD1-CZ3 4.25Å; Y113-W117 AromaticContact CE1-CE3 3.92Å; Y113-W117 HydrophobicContact CE1-CE3 3.92Å; Y113-W117 AromaticContact CE1-CZ3 3.74Å; Y113-W117 HydrophobicContact CE1-CZ3 3.74Å; Y113-W117 PolarHBondContact O-N 3.05Å; L114-W117 WeakPolarHBondContact O-CB 3.23Å; Q115-W117 VanDerWaalsContact C-N 3.29Å; Q115-W117 PolarHBondContact O-N 3.27Å; W117-S122 WeakPolarHBondContact CZ2-O 3.49Å; W117-I124 HydrophobicContact CH2-CG1 4.2Å; W117-L127 HydrophobicContact CZ3-CB 4.25Å; W117-L127 HydrophobicContact CZ3-CD2 4.31Å
118S92.4Very high91.6Very high65 Ų6551.1 Ų51.146%0.45526%0.263SS..  trans-144.6103.9-179.3-176.80000110.4N116 K121 S122N116-S118 PolarHBondContact O-N 2.6Å; S118-K121 CarbonylContact O-C 3.56Å; S118-K121 WeakPolarHBondContact O-CA 3.3Å; S118-K121 WeakPolarHBondContact O-CB 3.44Å; S118-K121 PolarHBondContact O-N 2.91Å; S118-S122 PolarHBondContact N-OG 2.96Å; S118-S122 PolarHBondContact O-N 3.11Å
119H88Confident91.6Very high52 Ų5254.2 Ų54.224%0.24128%0.278CS..THydrogen-bonded Turntrans-69.7137.1174.6-175.778.8000110.7P81 F82P81-H119 WeakPolarHBondContact CB-ND1 3.29Å; P81-H119 VanDerWaalsContact CG-CE1 3.46Å; P81-H119 WeakPolarHBondContact CG-CE1 3.42Å; P81-H119 WeakPolarHBondContact CG-ND1 3.28Å; F82-H119 HydrophobicContact CD1-CB 4.23Å; F82-H119 AromaticContact CE1-CD2 3.79Å; F82-H119 AromaticContact CZ-CD2 3.94Å
120P88.1Confident91.6Very high99 Ų9957.2 Ų57.264%0.64329%0.292SS*.THydrogen-bonded Turncis-92.356.836.9-36.7000115.5
121K89.2Confident91.7Very high181 Ų18153 Ų5379%0.78728%0.276SS*.THydrogen-bonded Turntrans-68.9-35-178.9-61.1179.2-179.91770112.2S118S118-K121 CarbonylContact O-C 3.56Å; S118-K121 WeakPolarHBondContact O-CA 3.3Å; S118-K121 WeakPolarHBondContact O-CB 3.44Å; S118-K121 PolarHBondContact O-N 2.91Å
122S91.9Very high91.8Very high9 Ų954.3 Ų54.36%0.06328%0.282CS..  trans-98.8122.1178.1-55.70000110.9Y113 W117 S118Y113-S122 WeakPolarHBondContact OH-CA 3.37Å; W117-S122 WeakPolarHBondContact CZ2-O 3.49Å; S118-S122 PolarHBondContact N-OG 2.96Å; S118-S122 PolarHBondContact O-N 3.11Å
123V94.3Very high91.9Very high49 Ų4953.3 Ų53.330%0.29728%0.279SS..  trans-132.5158.2174.1-64.90000111.5E24 Y113 V125 G126 L127E24-V123 WeakPolarHBondContact OE1-CA 3.38Å; E24-V123 WeakPolarHBondContact OE1-CB 3.15Å; Y113-V123 PolarHBondContact OH-N 2.92Å; Y113-V123 VanDerWaalsContact OH-N 3.09Å; Y113-V123 PolarHBondContact OH-O 2.88Å; Y113-V123 VanDerWaalsContact OH-O 3.06Å; V123-V125 VanDerWaalsContact C-N 3.31Å; V123-V125 PolarHBondContact O-N 2.89Å; V123-G126 WeakPolarHBondContact O-CA 3.47Å; V123-G126 PolarHBondContact O-N 3.38Å; V123-L127 PolarHBondContact O-N 2.94Å
124I93.4Very high91.9Very high0 Ų053.3 Ų53.30%028%0.28CS..Hα-helixtrans-60.2-38.2-177.2-66.4171.5000111.4E24 L25 V28 F74 I76 P85 W117 G126 L127 I128E24-I124 HydrophobicContact CG-CD1 4.31Å; E24-I124 HydrophobicContact CG-CG1 4.43Å; E24-I124 WeakPolarHBondContact OE1-CG1 3.45Å; E24-I124 PolarHBondContact OE1-N 2.69Å; L25-I124 HydrophobicContact CD2-CD1 3.88Å; V28-I124 HydrophobicContact CG1-CG2 4.42Å; V28-I124 HydrophobicContact CG2-CB 3.74Å; V28-I124 HydrophobicContact CG2-CG2 3.57Å; F74-I124 HydrophobicContact CE2-CG2 4.45Å; I76-I124 HydrophobicContact CD1-CD1 3.79Å; P85-I124 HydrophobicContact CG-CG1 4.36Å; W117-I124 HydrophobicContact CH2-CG1 4.2Å; I124-G126 VanDerWaalsContact C-N 3.27Å; I124-G126 PolarHBondContact O-N 3.44Å; I124-L127 WeakPolarHBondContact O-CB 3.39Å; I124-L127 PolarHBondContact O-N 3.48Å; I124-L127 VanDerWaalsContact O-N 3.16Å; I124-I128 HydrophobicContact CG2-CD1 4.03Å; I124-I128 HydrophobicContact CG2-CG1 4.39Å; I124-I128 WeakPolarHBondContact O-CG1 3.37Å; I124-I128 PolarHBondContact O-N 2.92Å
125V93.4Very high91.9Very high11 Ų1152.2 Ų52.27%0.06728%0.275CS..Hα-helixtrans-60.2-40.4175.3177.70000111V28 F31 V123 I128 K129V28-V125 HydrophobicContact CB-CG2 4.3Å; V28-V125 HydrophobicContact CG2-CG2 3.66Å; F31-V125 HydrophobicContact CD2-CG1 3.98Å; F31-V125 HydrophobicContact CD2-CG2 4.12Å; F31-V125 HydrophobicContact CE2-CG1 4.39Å; F31-V125 HydrophobicContact CG-CG1 4.38Å; V123-V125 VanDerWaalsContact C-N 3.31Å; V123-V125 PolarHBondContact O-N 2.89Å; V125-I128 PolarHBondContact O-N 3.31Å; V125-K129 WeakPolarHBondContact O-CG 3.28Å; V125-K129 PolarHBondContact O-N 3.16Å; V125-K129 VanDerWaalsContact O-N 3.15Å
126G92.4Very high92Very high18 Ų1849.3 Ų49.319%0.18626%0.261CS..Hα-helixtrans-67.7-39.2175.400000112.1V123 I124 I128 K129 E130V123-G126 WeakPolarHBondContact O-CA 3.47Å; V123-G126 PolarHBondContact O-N 3.38Å; I124-G126 VanDerWaalsContact C-N 3.27Å; I124-G126 PolarHBondContact O-N 3.44Å; G126-I128 PolarHBondContact O-N 2.95Å; G126-K129 PolarHBondContact O-N 2.91Å; G126-E130 PolarHBondContact O-N 3.46Å
127L94.8Very high91.8Very high0 Ų049.6 Ų49.60%026%0.258CS..Hα-helixtrans-60.6-44.7174.1174.665.9000112.3F74 P85 L111 Y113 L114 W117 V123 I124 K129 E130 M131F74-L127 HydrophobicContact CE1-CD2 4.04Å; P85-L127 HydrophobicContact CG-CD2 3.72Å; L111-L127 HydrophobicContact CD1-CD1 3.97Å; Y113-L127 HydrophobicContact CD1-CB 3.93Å; Y113-L127 HydrophobicContact CD1-CD1 3.86Å; Y113-L127 HydrophobicContact CE1-CB 3.78Å; L114-L127 HydrophobicContact CD1-CD1 4.26Å; L114-L127 HydrophobicContact CD2-CD1 3.65Å; L114-L127 HydrophobicContact CD2-CD2 3.71Å; L114-L127 HydrophobicContact CD2-CG 4.34Å; L114-L127 HydrophobicContact CG-CD1 3.64Å; W117-L127 HydrophobicContact CZ3-CB 4.25Å; W117-L127 HydrophobicContact CZ3-CD2 4.31Å; V123-L127 PolarHBondContact O-N 2.94Å; I124-L127 WeakPolarHBondContact O-CB 3.39Å; I124-L127 PolarHBondContact O-N 3.48Å; I124-L127 VanDerWaalsContact O-N 3.16Å; L127-K129 VanDerWaalsContact C-N 3.32Å; L127-K129 PolarHBondContact O-N 3.4Å; L127-E130 PolarHBondContact O-N 3.33Å; L127-M131 HydrophobicContact CD1-CE 3.87Å; L127-M131 HydrophobicContact CD2-CE 4.13Å; L127-M131 HydrophobicContact CG-CE 3.87Å; L127-M131 HydrophobicContact CG-SD 4.43Å; L127-M131 WeakPolarHBondContact O-CG 3.29Å; L127-M131 PolarHBondContact O-N 2.85Å
128I94.2Very high91.3Very high0 Ų051.7 Ų51.70%027%0.269CS..Hα-helixtrans-62.6-41.2176.9-68.2167.1000110.5V28 F32 F35 I59 F74 I124 V125 G126 E130 M131 I132V28-I128 HydrophobicContact CG1-CD1 3.82Å; F32-I128 HydrophobicContact CD1-CG2 4.4Å; F32-I128 HydrophobicContact CD2-CD1 3.79Å; F32-I128 HydrophobicContact CD2-CG2 4.28Å; F32-I128 HydrophobicContact CE1-CG2 3.75Å; F32-I128 HydrophobicContact CE2-CB 4.03Å; F32-I128 HydrophobicContact CE2-CD1 3.96Å; F32-I128 HydrophobicContact CE2-CG2 3.61Å; F32-I128 HydrophobicContact CG-CD1 4.39Å; F32-I128 HydrophobicContact CZ-CB 4.18Å; F32-I128 HydrophobicContact CZ-CG2 3.31Å; F35-I128 HydrophobicContact CE2-CD1 4.47Å; F35-I128 HydrophobicContact CZ-CD1 4.42Å; I59-I128 HydrophobicContact CB-CG2 4.35Å; I59-I128 HydrophobicContact CG2-CG2 3.64Å; F74-I128 HydrophobicContact CE2-CD1 3.99Å; F74-I128 HydrophobicContact CE2-CG1 3.97Å; F74-I128 HydrophobicContact CZ-CD1 4.25Å; F74-I128 HydrophobicContact CZ-CG1 3.71Å; I124-I128 HydrophobicContact CG2-CD1 4.03Å; I124-I128 HydrophobicContact CG2-CG1 4.39Å; I124-I128 WeakPolarHBondContact O-CG1 3.37Å; I124-I128 PolarHBondContact O-N 2.92Å; V125-I128 PolarHBondContact O-N 3.31Å; G126-I128 PolarHBondContact O-N 2.95Å; I128-E130 PolarHBondContact O-N 3.49Å; I128-M131 WeakPolarHBondContact O-CB 3.37Å; I128-M131 PolarHBondContact O-N 2.83Å; I128-I132 HydrophobicContact CG2-CD1 3.95Å; I128-I132 HydrophobicContact CG2-CG1 4.39Å; I128-I132 VanDerWaalsContact O-CG1 3.31Å; I128-I132 WeakPolarHBondContact O-CG1 3.21Å; I128-I132 PolarHBondContact O-N 3.42Å
129K93Very high91Very high124 Ų12449.9 Ų49.954%0.53925%0.254SS..Hα-helixtrans-61.8-42.6176.1-72.5176.6179.3-177.20112.1V125 G126 L127 I132 A133V125-K129 WeakPolarHBondContact O-CG 3.28Å; V125-K129 PolarHBondContact O-N 3.16Å; V125-K129 VanDerWaalsContact O-N 3.15Å; G126-K129 PolarHBondContact O-N 2.91Å; L127-K129 VanDerWaalsContact C-N 3.32Å; L127-K129 PolarHBondContact O-N 3.4Å; K129-I132 PolarHBondContact O-N 3.13Å; K129-A133 PolarHBondContact O-N 3.49Å
130E93Very high90.9Very high65 Ų6547.6 Ų47.630%0.30424%0.244SC..Hα-helixtrans-63.8-41.8174.9-169.367.3-158.200111.5L111 G126 L127 I128 I132 A133 K134L111-E130 HydrophobicContact CD1-CB 4.49Å; L111-E130 HydrophobicContact CD1-CG 4.29Å; G126-E130 PolarHBondContact O-N 3.46Å; L127-E130 PolarHBondContact O-N 3.33Å; I128-E130 PolarHBondContact O-N 3.49Å; E130-I132 PolarHBondContact O-N 2.92Å; E130-A133 PolarHBondContact O-N 3.33Å; E130-K134 WeakPolarHBondContact O-CG 3.36Å; E130-K134 PolarHBondContact O-N 3.08Å
131M93.4Very high90.8Very high0 Ų043.7 Ų43.70%022%0.218CC..Hα-helixtrans-58.7-46.6174.1-75.2178.117600111.8I59 I72 F74 C87 I109 L111 L127 I128 A133 K134 F135I59-M131 HydrophobicContact CD1-CB 3.96Å; I72-M131 HydrophobicContact CD1-SD 3.86Å; F74-M131 HydrophobicContact CE1-CE 3.74Å; F74-M131 HydrophobicContact CE1-SD 3.92Å; F74-M131 HydrophobicContact CZ-CE 4.42Å; F74-M131 HydrophobicContact CZ-SD 4.01Å; C87-M131 HydrophobicContact CB-CE 3.65Å; I109-M131 HydrophobicContact CB-CE 4.12Å; I109-M131 HydrophobicContact CD1-CE 3.81Å; I109-M131 HydrophobicContact CD1-SD 4.08Å; I109-M131 HydrophobicContact CG2-CE 3.77Å; L111-M131 HydrophobicContact CD1-CB 4.26Å; L111-M131 HydrophobicContact CD1-CE 4.17Å; L111-M131 HydrophobicContact CD1-CG 3.34Å; L127-M131 HydrophobicContact CD1-CE 3.87Å; L127-M131 HydrophobicContact CD2-CE 4.13Å; L127-M131 HydrophobicContact CG-CE 3.87Å; L127-M131 HydrophobicContact CG-SD 4.43Å; L127-M131 WeakPolarHBondContact O-CG 3.29Å; L127-M131 PolarHBondContact O-N 2.85Å; I128-M131 WeakPolarHBondContact O-CB 3.37Å; I128-M131 PolarHBondContact O-N 2.83Å; M131-A133 PolarHBondContact O-N 2.82Å; M131-K134 PolarHBondContact O-N 3.45Å; M131-F135 HydrophobicContact CB-CD2 4.38Å; M131-F135 HydrophobicContact CB-CE2 4.15Å; M131-F135 WeakPolarHBondContact O-CB 3.42Å; M131-F135 WeakPolarHBondContact O-CD2 3.32Å; M131-F135 WeakPolarHBondContact O-CG 3.48Å; M131-F135 PolarHBondContact O-N 3.22Å
132I92.8Very high90.4Very high29 Ų2940.2 Ų40.215%0.14920%0.2CC..Hα-helixtrans-58.7-50.3177.2-67.4167.3000109.4F32 I59 V61 I128 K129 E130 K134 F135 Q136F32-I132 HydrophobicContact CE1-CD1 4.24Å; F32-I132 HydrophobicContact CZ-CD1 4.31Å; I59-I132 HydrophobicContact CB-CG1 4.29Å; I59-I132 HydrophobicContact CD1-CG1 3.82Å; I59-I132 HydrophobicContact CG1-CG1 4.47Å; V61-I132 HydrophobicContact CG2-CG1 4.44Å; I128-I132 HydrophobicContact CG2-CD1 3.95Å; I128-I132 HydrophobicContact CG2-CG1 4.39Å; I128-I132 VanDerWaalsContact O-CG1 3.31Å; I128-I132 WeakPolarHBondContact O-CG1 3.21Å; I128-I132 PolarHBondContact O-N 3.42Å; K129-I132 PolarHBondContact O-N 3.13Å; E130-I132 PolarHBondContact O-N 2.92Å; I132-K134 VanDerWaalsContact C-N 3.31Å; I132-K134 PolarHBondContact O-N 2.83Å; I132-F135 PolarHBondContact O-N 2.73Å; I132-Q136 HydrophobicContact CG2-CG 4.36Å; I132-Q136 VanDerWaalsContact O-CG 3.25Å; I132-Q136 WeakPolarHBondContact O-CG 3.4Å; I132-Q136 PolarHBondContact O-N 2.9Å
133A92Very high89.5Confident41 Ų4144.3 Ų44.334%0.33923%0.229SC..Hα-helixtrans-56.8-43.3-179.900000112.4K129 E130 M131K129-A133 PolarHBondContact O-N 3.49Å; E130-A133 PolarHBondContact O-N 3.33Å; M131-A133 PolarHBondContact O-N 2.82Å
134K91Very high88.2Confident50 Ų5045.6 Ų45.622%0.21723%0.234CC..Hα-helixtrans-73.2-35.2178.9-65.5-52.4176.6-168.70114.3L111 E130 M131 I132 Q136 E137 E138L111-K134 HydrophobicContact CD2-CB 4.15Å; L111-K134 HydrophobicContact CD2-CG 3.89Å; E130-K134 WeakPolarHBondContact O-CG 3.36Å; E130-K134 PolarHBondContact O-N 3.08Å; M131-K134 PolarHBondContact O-N 3.45Å; I132-K134 VanDerWaalsContact C-N 3.31Å; I132-K134 PolarHBondContact O-N 2.83Å; K134-Q136 VanDerWaalsContact C-N 3.29Å; K134-Q136 PolarHBondContact O-N 3.23Å; K134-E137 IonicContact NZ-OE1 3.06Å; K134-E137 PolarHBondContact NZ-OE1 3.46Å; K134-E137 IonicContact NZ-OE2 3.96Å; K134-E137 PolarHBondContact O-N 3.37Å; K134-E138 PolarHBondContact O-N 2.9Å
135F91.3Very high86.2Confident3 Ų351.2 Ų51.21%0.01327%0.27CS..Hα-helixtrans-77.2-15.9177.3-62.9-18.4000113.5I59 V61 I70 I72 L89 V103 I109 M131 I132 E137 E138 P140I59-F135 HydrophobicContact CD1-CD2 4Å; I59-F135 HydrophobicContact CD1-CE2 4.29Å; V61-F135 HydrophobicContact CB-CB 4.5Å; V61-F135 VanDerWaalsContact CG1-C 3.41Å; V61-F135 HydrophobicContact CG1-CB 3.8Å; V61-F135 WeakPolarHBondContact CG1-O 3.25Å; V61-F135 HydrophobicContact CG2-CB 3.93Å; V61-F135 HydrophobicContact CG2-CD2 4.47Å; I70-F135 HydrophobicContact CD1-CB 4.17Å; I70-F135 HydrophobicContact CD1-CD2 4.16Å; I70-F135 HydrophobicContact CD1-CG 4.47Å; I72-F135 HydrophobicContact CD1-CE2 4.05Å; L89-F135 HydrophobicContact CD2-CE2 4.24Å; L89-F135 HydrophobicContact CD2-CZ 4.4Å; V103-F135 HydrophobicContact CG2-CE1 3.63Å; V103-F135 HydrophobicContact CG2-CZ 3.89Å; I109-F135 HydrophobicContact CD1-CE2 4.27Å; I109-F135 HydrophobicContact CD1-CZ 3.97Å; I109-F135 HydrophobicContact CG1-CZ 4.2Å; I109-F135 HydrophobicContact CG2-CZ 4.06Å; M131-F135 HydrophobicContact CB-CD2 4.38Å; M131-F135 HydrophobicContact CB-CE2 4.15Å; M131-F135 WeakPolarHBondContact O-CB 3.42Å; M131-F135 WeakPolarHBondContact O-CD2 3.32Å; M131-F135 WeakPolarHBondContact O-CG 3.48Å; M131-F135 PolarHBondContact O-N 3.22Å; I132-F135 PolarHBondContact O-N 2.73Å; F135-E137 VanDerWaalsContact C-N 3.35Å; F135-E138 WeakPolarHBondContact CA-O 3.26Å; F135-E138 CarbonylContact O-C 3.56Å; F135-P140 HydrophobicContact CB-CG 4.2Å; F135-P140 HydrophobicContact CD1-CB 4.02Å; F135-P140 HydrophobicContact CD1-CG 3.74Å; F135-P140 HydrophobicContact CD2-CG 3.72Å; F135-P140 HydrophobicContact CE1-CB 3.94Å; F135-P140 HydrophobicContact CE1-CG 3.98Å; F135-P140 HydrophobicContact CE2-CG 3.94Å; F135-P140 HydrophobicContact CG-CB 4.4Å; F135-P140 HydrophobicContact CG-CG 3.62Å; F135-P140 HydrophobicContact CZ-CB 4.23Å; F135-P140 HydrophobicContact CZ-CG 4.07Å
136Q89.1Confident84.1Confident89 Ų8955.7 Ų55.742%0.41630%0.302SS..Hα-helixtrans-71.6-29.3168-72.1-177.5-9.900112.4V61 M62 Y63 I132 K134V61-Q136 HydrophobicContact CG1-CG 3.91Å; M62-Q136 VanDerWaalsContact O-CG 3.31Å; M62-Q136 WeakPolarHBondContact O-CG 3.38Å; Y63-Q136 VanDerWaalsContact CD2-O 3.3Å; Y63-Q136 WeakPolarHBondContact CD2-O 3.25Å; I132-Q136 HydrophobicContact CG2-CG 4.36Å; I132-Q136 VanDerWaalsContact O-CG 3.25Å; I132-Q136 WeakPolarHBondContact O-CG 3.4Å; I132-Q136 PolarHBondContact O-N 2.9Å; K134-Q136 VanDerWaalsContact C-N 3.29Å; K134-Q136 PolarHBondContact O-N 3.23Å
137E85.9Confident82.4Confident131 Ų13158.6 Ų58.661%0.61232%0.319SS*.Hα-helixtrans-76.2-44.3175.2-62.8174.2-148.900110.8K134 F135K134-E137 IonicContact NZ-OE1 3.06Å; K134-E137 PolarHBondContact NZ-OE1 3.46Å; K134-E137 IonicContact NZ-OE2 3.96Å; K134-E137 PolarHBondContact O-N 3.37Å; F135-E137 VanDerWaalsContact C-N 3.35Å
138E83.8Confident80.1Confident70 Ų7064.3 Ų64.333%0.32735%0.35SS..SBendtrans-140.1110.8-176.6-176.5179.9-167.800109.7G100 K101 K134 F135 P140G100-E138 VanDerWaalsContact CA-OE1 3.27Å; G100-E138 WeakPolarHBondContact CA-OE1 3.41Å; K101-E138 PolarHBondContact N-OE2 2.89Å; K134-E138 PolarHBondContact O-N 2.9Å; F135-E138 WeakPolarHBondContact CA-O 3.26Å; F135-E138 CarbonylContact O-C 3.56Å; E138-P140 WeakPolarHBondContact O-CD 3.19Å
139L86.1Confident77.8Confident27 Ų2772 Ų7214%0.14139%0.386CS..  trans-65.9127.7179.5-86178.6000110.7V61 Y63 Y68 I70 S98 L141V61-L139 HydrophobicContact CG1-CD2 3.99Å; Y63-L139 HydrophobicContact CD1-CD1 3.24Å; Y63-L139 HydrophobicContact CD1-CG 3.71Å; Y63-L139 HydrophobicContact CD2-CD1 4.25Å; Y63-L139 HydrophobicContact CD2-CG 3.75Å; Y63-L139 HydrophobicContact CE1-CD1 3.85Å; Y63-L139 HydrophobicContact CE1-CG 4.21Å; Y63-L139 HydrophobicContact CE2-CG 4.27Å; Y63-L139 HydrophobicContact CG-CD1 3.48Å; Y63-L139 VanDerWaalsContact CG-CD1 3.48Å; Y63-L139 HydrophobicContact CG-CD2 4.21Å; Y63-L139 HydrophobicContact CG-CG 3.45Å; Y63-L139 VanDerWaalsContact CG-CG 3.45Å; Y68-L139 HydrophobicContact CD2-CD1 4.05Å; Y68-L139 HydrophobicContact CD2-CD2 4.32Å; Y68-L139 HydrophobicContact CE2-CD1 4.03Å; Y68-L139 HydrophobicContact CG-CD1 4.47Å; I70-L139 HydrophobicContact CD1-CD2 3.93Å; S98-L139 WeakPolarHBondContact CB-O 3.4Å; L139-L141 VanDerWaalsContact C-N 3.33Å; L139-L141 PolarHBondContact O-N 2.98Å
140P85.7Confident75.6Confident3 Ų369.2 Ų69.22%0.01939%0.386CS..SBendtrans-85.3-6.2-177.937.3-41.3000113.3I70 L89 S98 V103 F135 E138I70-P140 HydrophobicContact CD1-CG 3.56Å; I70-P140 HydrophobicContact CG2-CG 4.07Å; L89-P140 HydrophobicContact CD1-CB 3.79Å; L89-P140 HydrophobicContact CD1-CG 4.42Å; L89-P140 HydrophobicContact CD2-CB 4.36Å; L89-P140 HydrophobicContact CD2-CG 4.19Å; S98-P140 PolarHBondContact N-O 3.26Å; V103-P140 HydrophobicContact CG2-CB 3.88Å; F135-P140 HydrophobicContact CB-CG 4.2Å; F135-P140 HydrophobicContact CD1-CB 4.02Å; F135-P140 HydrophobicContact CD1-CG 3.74Å; F135-P140 HydrophobicContact CD2-CG 3.72Å; F135-P140 HydrophobicContact CE1-CB 3.94Å; F135-P140 HydrophobicContact CE1-CG 3.98Å; F135-P140 HydrophobicContact CE2-CG 3.94Å; F135-P140 HydrophobicContact CG-CB 4.4Å; F135-P140 HydrophobicContact CG-CG 3.62Å; F135-P140 HydrophobicContact CZ-CB 4.23Å; F135-P140 HydrophobicContact CZ-CG 4.07Å; E138-P140 WeakPolarHBondContact O-CD 3.19Å
141L86.5Confident73.6Confident18 Ų1874.1 Ų74.19%0.09440%0.402CS..EExtended strand (participates in β ladder)trans-138.1144.3178.8-62.4176.9000110.2I70 P71 L89 P91 M95 E96 I97 L139I70-L141 HydrophobicContact CG2-CD1 3.8Å; I70-L141 HydrophobicContact CG2-CG 4.35Å; P71-L141 HydrophobicContact CG-CD1 3.95Å; L89-L141 HydrophobicContact CB-CD2 4.46Å; L89-L141 HydrophobicContact CD1-CD2 3.94Å; L89-L141 HydrophobicContact CD1-CG 4.29Å; P91-L141 HydrophobicContact CB-CD2 4.23Å; P91-L141 HydrophobicContact CG-CD2 3.9Å; M95-L141 HydrophobicContact SD-CD1 4.09Å; E96-L141 CarbonylContact O-C 3.53Å; E96-L141 VanDerWaalsContact O-CA 3.24Å; E96-L141 WeakPolarHBondContact O-CA 3.43Å; I97-L141 HydrophobicContact CB-CD2 4.29Å; I97-L141 HydrophobicContact CG1-CD2 3.62Å; L139-L141 VanDerWaalsContact C-N 3.33Å; L139-L141 PolarHBondContact O-N 2.98Å
142Y80.8Confident71.5Confident108 Ų10880.5 Ų80.542%0.42443%0.432SS..EExtended strand (participates in β ladder)trans-127.9155.1169.358.3-85000111.2M95 E96 L144M95-Y142 WeakPolarHBondContact CA-O 3.48Å; E96-Y142 HydrophobicContact CB-CD2 4.29Å; E96-Y142 HydrophobicContact CB-CE1 3.98Å; E96-Y142 HydrophobicContact CB-CE2 3.75Å; E96-Y142 HydrophobicContact CG-CE1 4.09Å; E96-Y142 HydrophobicContact CG-CE2 4.25Å; E96-Y142 WeakPolarHBondContact CG-OH 3.25Å; E96-Y142 PolarHBondContact N-O 3.25Å; E96-Y142 PolarHBondContact O-N 3.36Å; E96-Y142 PolarHBondContact OE1-OH 3.03Å; E96-Y142 PolarHBondContact OE2-OH 3.04Å; E96-Y142 VanDerWaalsContact OE2-OH 3.04Å; Y142-L144 HydrophobicContact CE2-CD2 4.48Å
143S71.9Confident69.8Low95 Ų9583.9 Ų83.966%0.66445%0.453SS*.EExtended strand (participates in β ladder)trans-85.4133.9-179.456.50000111.5N94N94-S143 WeakPolarHBondContact O-CA 3.41Å
144L66.9Low68Low75 Ų7587.5 Ų87.539%0.39347%0.467SS..PPolyproline II helixtrans-80.8135.1168-66.2167.7000109.6N94 E96 Y142N94-L144 PolarHBondContact O-N 3.37Å; E96-L144 HydrophobicContact CB-CG 4.45Å; Y142-L144 HydrophobicContact CE2-CD2 4.48Å
145P51.9Low66.1Low118 Ų11890.2 Ų90.277%0.76648%0.483SS*.PPolyproline II helixtrans-66.1136.5178.724.2-30.4000111.3
146S48.9Very low64.4Low105 Ų10595.3 Ų95.373%0.73451%0.51SS*.PPolyproline II helixtrans-67.9133.717349.20000110.8D148S146-D148 PolarHBondContact O-N 3.49Å; S146-D148 VanDerWaalsContact O-N 3.08Å
147S58.4Low62.6Low79 Ų7993.6 Ų93.655%0.55251%0.511SS*.THydrogen-bonded Turntrans-76.614.5-152.154.60000119.2
148D46.2Very low61.2Low121 Ų12194.7 Ų94.765%0.64751%0.511SS*.THydrogen-bonded Turntrans-112.2-32.5-169.3-78.2-22.2000115.7S146S146-D148 PolarHBondContact O-N 3.49Å; S146-D148 VanDerWaalsContact O-N 3.08Å
149E44.7Very low60.1Low161 Ų16195.7 Ų95.775%0.75252%0.518SS*.Hα-helixtrans-80.7-30.7-176.5-70.7179.1164.800113.3R151 Q152E149-R151 PolarHBondContact O-N 2.95Å; E149-Q152 PolarHBondContact O-N 3.3Å
150A47.9Very low58.5Low66 Ų6696.9 Ų96.955%0.54553%0.531SS..Hα-helixtrans-68.9-32.8-178.400000113.2Q152 D154A150-Q152 VanDerWaalsContact C-N 3.32Å; A150-Q152 PolarHBondContact O-N 3.36Å; A150-D154 PolarHBondContact O-N 2.78Å
151R51.2Low56.7Low167 Ų167105 Ų10563%0.6357%0.567SS**Hα-helixtrans-67.1-32.5177.9-79.7-178-169.4145.52.1112.8E149 L155E149-R151 PolarHBondContact O-N 2.95Å; R151-L155 WeakPolarHBondContact O-CB 3.35Å; R151-L155 WeakPolarHBondContact O-CD1 3.4Å; R151-L155 PolarHBondContact O-N 3.05Å; R151-L155 VanDerWaalsContact O-N 3.11Å
152Q48.4Very low55Low134 Ų134109.7 Ų109.763%0.62659%0.59SS**Hα-helixtrans-76-34.1-175.4-162164.44.100111.8E149 A150 L156E149-Q152 PolarHBondContact O-N 3.3Å; A150-Q152 VanDerWaalsContact C-N 3.32Å; A150-Q152 PolarHBondContact O-N 3.36Å; Q152-L156 HydrophobicContact CG-CD1 4.49Å; Q152-L156 WeakPolarHBondContact O-CB 3.44Å; Q152-L156 WeakPolarHBondContact O-CD1 3.47Å; Q152-L156 VanDerWaalsContact O-CG 3.26Å; Q152-L156 WeakPolarHBondContact O-CG 3.12Å; Q152-L156 PolarHBondContact O-N 3.32Å; Q152-L156 VanDerWaalsContact O-N 3.12Å
153V56.8Low53.4Low100 Ų100109.8 Ų109.861%0.60660%0.602SS**Hα-helixtrans-69.5-41.6175.5179.70000111.2L156 A157V153-L156 PolarHBondContact O-N 2.91Å; V153-A157 WeakPolarHBondContact O-CB 3.27Å; V153-A157 PolarHBondContact O-N 2.75Å
154D55.5Low52Low118 Ų118113.6 Ų113.663%0.63161%0.61SS**Hα-helixtrans-68.5-36.5177.7-83.3-20.3000112.9A150 A157 Y158A150-D154 PolarHBondContact O-N 2.78Å; D154-A157 PolarHBondContact O-N 3.1Å; D154-Y158 WeakPolarHBondContact O-CB 3.46Å; D154-Y158 PolarHBondContact O-N 2.62Å
155L51Low50.7Low106 Ų106112.9 Ų112.956%0.55562%0.62SS**Hα-helixtrans-64.8-41.3173.5-91.7156000112R151 Y158 I159R151-L155 WeakPolarHBondContact O-CB 3.35Å; R151-L155 WeakPolarHBondContact O-CD1 3.4Å; R151-L155 PolarHBondContact O-N 3.05Å; R151-L155 VanDerWaalsContact O-N 3.11Å; L155-Y158 PolarHBondContact O-N 3Å; L155-I159 WeakPolarHBondContact O-CD1 3.15Å; L155-I159 VanDerWaalsContact O-CG1 3.25Å; L155-I159 WeakPolarHBondContact O-CG1 3.26Å; L155-I159 PolarHBondContact O-N 3.39Å
156L55.6Low50.2Low110 Ų110113.9 Ų113.958%0.57662%0.624SS**Hα-helixtrans-68-38.2176.8-72.6167.4000111.8Q152 V153 Y158 I159 A160Q152-L156 HydrophobicContact CG-CD1 4.49Å; Q152-L156 WeakPolarHBondContact O-CB 3.44Å; Q152-L156 WeakPolarHBondContact O-CD1 3.47Å; Q152-L156 VanDerWaalsContact O-CG 3.26Å; Q152-L156 WeakPolarHBondContact O-CG 3.12Å; Q152-L156 PolarHBondContact O-N 3.32Å; Q152-L156 VanDerWaalsContact O-N 3.12Å; V153-L156 PolarHBondContact O-N 2.91Å; L156-Y158 VanDerWaalsContact C-N 3.33Å; L156-Y158 PolarHBondContact O-N 3.28Å; L156-I159 PolarHBondContact O-N 3.35Å; L156-A160 WeakPolarHBondContact O-CB 3.42Å; L156-A160 PolarHBondContact O-N 2.78Å
157A51.1Low49.7Very low53 Ų53114.8 Ų114.844%0.43863%0.63SS.*Hα-helixtrans-66.2-34.2174.200000112.6V153 D154 K161V153-A157 WeakPolarHBondContact O-CB 3.27Å; V153-A157 PolarHBondContact O-N 2.75Å; D154-A157 PolarHBondContact O-N 3.1Å; A157-K161 PolarHBondContact O-N 3.42Å
158Y55.7Low48.3Very low154 Ų154114.9 Ų114.960%0.60464%0.643SS**Hα-helixtrans-69.6-42.1174.7-172.3-103.7000112.2D154 L155 L156 K161 I162D154-Y158 WeakPolarHBondContact O-CB 3.46Å; D154-Y158 PolarHBondContact O-N 2.62Å; L155-Y158 PolarHBondContact O-N 3Å; L156-Y158 VanDerWaalsContact C-N 3.33Å; L156-Y158 PolarHBondContact O-N 3.28Å; Y158-K161 PolarHBondContact O-N 2.76Å; Y158-I162 HydrophobicContact CD1-CD1 3.81Å; Y158-I162 HydrophobicContact CE1-CD1 3.41Å; Y158-I162 VanDerWaalsContact CE1-CD1 3.41Å; Y158-I162 WeakPolarHBondContact O-CG1 3.31Å; Y158-I162 PolarHBondContact O-N 3.44Å
159I60.5Low48Very low92 Ų92116.6 Ų116.647%0.47265%0.651SS.*Hα-helixtrans-65.6-41.8177-67.5164.6000110.7L155 L156 K161 I162 T163L155-I159 WeakPolarHBondContact O-CD1 3.15Å; L155-I159 VanDerWaalsContact O-CG1 3.25Å; L155-I159 WeakPolarHBondContact O-CG1 3.26Å; L155-I159 PolarHBondContact O-N 3.39Å; L156-I159 PolarHBondContact O-N 3.35Å; I159-K161 VanDerWaalsContact C-N 3.34Å; I159-K161 PolarHBondContact O-N 3.01Å; I159-I162 PolarHBondContact O-N 3.19Å; I159-T163 PolarHBondContact O-N 3.46Å; I159-T163 VanDerWaalsContact O-N 3.14Å; I159-T163 PolarHBondContact O-OG1 2.87Å
160A52Low47.3Very low52 Ų52116.3 Ų116.343%0.4366%0.655SS.*Hα-helixtrans-59.6-42.5175.600000112.3L156 I162 T163 E164L156-A160 WeakPolarHBondContact O-CB 3.42Å; L156-A160 PolarHBondContact O-N 2.78Å; A160-I162 VanDerWaalsContact C-N 3.28Å; A160-I162 PolarHBondContact O-N 2.96Å; A160-T163 PolarHBondContact O-N 2.95Å; A160-T163 VanDerWaalsContact O-N 3.14Å; A160-E164 PolarHBondContact O-N 2.95Å
161K49.7Very low46.5Very low174 Ų174117.7 Ų117.776%0.75766%0.66SS**Hα-helixtrans-62.9-29.4176-89.9179.8174.6174.80114.3A157 Y158 I159A157-K161 PolarHBondContact O-N 3.42Å; Y158-K161 PolarHBondContact O-N 2.76Å; I159-K161 VanDerWaalsContact C-N 3.34Å; I159-K161 PolarHBondContact O-N 3.01Å
162I50.5Low45.9Very low115 Ų115119.3 Ų119.359%0.5967%0.672SS**Hα-helixtrans-79.1-29.6176.7-66.8172000111Y158 I159 A160Y158-I162 HydrophobicContact CD1-CD1 3.81Å; Y158-I162 HydrophobicContact CE1-CD1 3.41Å; Y158-I162 VanDerWaalsContact CE1-CD1 3.41Å; Y158-I162 WeakPolarHBondContact O-CG1 3.31Å; Y158-I162 PolarHBondContact O-N 3.44Å; I159-I162 PolarHBondContact O-N 3.19Å; A160-I162 VanDerWaalsContact C-N 3.28Å; A160-I162 PolarHBondContact O-N 2.96Å
163T47Very low45Very low110 Ų110118.1 Ų118.168%0.67568%0.678SS**Hα-helixtrans-84.4-26.4-171.9-35.20000113.1I159 A160I159-T163 PolarHBondContact O-N 3.46Å; I159-T163 VanDerWaalsContact O-N 3.14Å; I159-T163 PolarHBondContact O-OG1 2.87Å; A160-T163 PolarHBondContact O-N 2.95Å; A160-T163 VanDerWaalsContact O-N 3.14Å
164E43.1Very low43.7Very low176 Ų176126.1 Ų126.182%0.82270%0.698SS**THydrogen-bonded Turntrans-93.58.5-179.1-72.4-173.6158.700115A160 V166A160-E164 PolarHBondContact O-N 2.95Å; E164-V166 PolarHBondContact O-N 2.91Å
165G38.3Very low42.6Very low60 Ų60124.5 Ų124.562%0.61970%0.701SS**  trans-93.137.1-170.200000117.7
166V42.3Very low41.7Very low139 Ų139126.4 Ų126.484%0.84271%0.712SS**  trans-143.897.1164-1750000111E164E164-V166 PolarHBondContact O-N 2.91Å
167S37.2Very low40.7Very low124 Ų124130.7 Ų130.787%0.86773%0.728SS**  trans172.8119.6135.946.90000110.7
168G30Very low39.9Very low80 Ų80135.8 Ų135.883%0.82574%0.743SS**  trans15370.5174.400000113.7
169I39.3Very low39.1Very low158 Ų158136.5 Ų136.581%0.8176%0.757SS**  trans-76.3130.6174.3-67.3168.2000110.2
170N30.4Very low38.6Very low155 Ų155140.1 Ų140.183%0.82977%0.769SS**  trans155.5128.3143.6-81.9-25.8000107.5
171S31.6Very low39.5Very low95 Ų95142.3 Ų142.366%0.66478%0.778SS**  cis-165.5131.123.7155.50000108.9
172K38.2Very low41.4Very low200 Ų200138.1 Ų138.187%0.8777%0.767SS**  trans51.892145.5-60.2179178.5178.70119.2
173S28.2Very low43.4Very low109 Ų109133.7 Ų133.776%0.76274%0.744SS**  -170.484.1129.5-179.20000108.3
174W30.3Very low45.8Very low269 Ų269129.9 Ų129.9100%1.01972%0.718SS**  trans-108.691.7169.8-80.426.5000107.2
175A31.8Very low48.5Very low83 Ų83121.5 Ų121.569%0.68668%0.679SS**  trans-126.8110.4162.600000107.4
176N32Very low51.3Low147 Ų147118.6 Ų118.679%0.78665%0.649SS**  trans4584.1161.9-65.2-1.6000117.9E178N176-E178 VanDerWaalsContact C-N 3.26Å; N176-E178 PolarHBondContact O-N 2.89Å
177H34.9Very low54Low199 Ų199112 Ų11292%0.92161%0.609SS**  trans-80.585.1145.7-92.2-66.4000108.3
178E35.5Very low56.9Low161 Ų161106.1 Ų106.175%0.75257%0.568SS**  trans-52.2138.5152-74.1178.7157.700107.9N176 K180N176-E178 VanDerWaalsContact C-N 3.26Å; N176-E178 PolarHBondContact O-N 2.89Å; E178-K180 PolarHBondContact O-N 3.1Å
179N37.4Very low59.8Low169 Ų169102.5 Ų102.590%0.90453%0.531SS*.  trans-61.879.7172.9-113.6-9.1000109T181N179-T181 PolarHBondContact O-N 2.72Å; N179-T181 VanDerWaalsContact O-N 3.07Å
180K51.6Low62.2Low167 Ų16795.5 Ų95.573%0.72650%0.497SS*.  trans-70.6108.6-176.4-161.5179-176.9-169.80107.7E178 V182E178-K180 PolarHBondContact O-N 3.1Å; K180-V182 PolarHBondContact O-N 3.13Å; K180-V182 VanDerWaalsContact O-N 3.12Å
181T71.1Confident65Low99 Ų9990.2 Ų90.261%0.60748%0.48SS*.  trans-63.1115.5176.461.80000108.7N179 N183 K247N179-T181 PolarHBondContact O-N 2.72Å; N179-T181 VanDerWaalsContact O-N 3.07Å; T181-N183 PolarHBondContact O-N 2.76Å; T181-K247 PolarHBondContact OG1-NZ 3.49Å
182V88.3Confident67.8Low86 Ų8693 Ų9352%0.52148%0.482SS..  trans-65.7125.3-179.8179.60000109.7K180 K184 D208 R209 K247K180-V182 PolarHBondContact O-N 3.13Å; K180-V182 VanDerWaalsContact O-N 3.12Å; V182-K184 VanDerWaalsContact C-N 3.35Å; V182-K184 PolarHBondContact O-N 2.95Å; V182-D208 HydrophobicContact CG1-CB 3.67Å; V182-R209 HydrophobicContact CG1-CB 4.49Å; V182-K247 WeakPolarHBondContact O-CE 3.39Å
183N93.3Very high70.4Confident22 Ų2284.8 Ų84.812%0.11845%0.448CS..  trans-7882.4174-72.5-19.8000110T181 A207 D208 R209 K247T181-N183 PolarHBondContact O-N 2.76Å; N183-A207 CarbonylContact O-C 3.59Å; N183-A207 WeakPolarHBondContact O-CA 3.45Å; N183-D208 HydrophobicContact CB-CB 4.41Å; N183-D208 WeakPolarHBondContact CB-OD2 3.38Å; N183-D208 PolarHBondContact N-OD2 2.69Å; N183-D208 PolarHBondContact O-N 3.37Å; N183-R209 PolarHBondContact O-N 3.4Å; N183-K247 WeakPolarHBondContact OD1-CD 3.5Å; N183-K247 VanDerWaalsContact OD1-CE 3.29Å; N183-K247 WeakPolarHBondContact OD1-CE 3.45Å; N183-K247 PolarHBondContact OD1-NZ 3.35Å
184K97.5Very high73.5Confident29 Ų2979.6 Ų79.613%0.12641%0.411CS..EExtended strand (participates in β ladder)trans-84.3129173.5-173.3177.2178.9177.80111.4V182 R209 A242 A244 K247V182-K184 VanDerWaalsContact C-N 3.35Å; V182-K184 PolarHBondContact O-N 2.95Å; K184-R209 CarbonylContact C-O 3.4Å; K184-R209 VanDerWaalsContact CA-O 3.28Å; K184-R209 WeakPolarHBondContact CA-O 3.47Å; K184-R209 HydrophobicContact CG-CB 4.46Å; K184-A242 VanDerWaalsContact CE-O 3.32Å; K184-A242 WeakPolarHBondContact CE-O 3.46Å; K184-A242 PolarHBondContact NZ-O 2.94Å; K184-A244 WeakPolarHBondContact CD-O 3.31Å; K184-A244 WeakPolarHBondContact CE-O 3.5Å; K184-A244 PolarHBondContact NZ-O 3.23Å; K184-K247 PolarHBondContact O-N 2.98Å
185V98.4Very high76.6Confident0 Ų067.9 Ų67.90%037%0.369CS..EExtended strand (participates in β ladder)trans-124.2135.6176.3177.70000109.4I201 A207 R209 L210 V211 V248 I250 V397 V401V185-I201 HydrophobicContact CG1-CD1 4.29Å; V185-A207 HydrophobicContact CB-CB 4.06Å; V185-A207 HydrophobicContact CG2-CB 3.77Å; V185-R209 PolarHBondContact N-O 2.62Å; V185-L210 CarbonylContact O-C 3.49Å; V185-L210 VanDerWaalsContact O-CA 3.31Å; V185-L210 WeakPolarHBondContact O-CA 3.48Å; V185-V211 PolarHBondContact O-N 3.38Å; V185-V248 WeakPolarHBondContact CA-O 3.28Å; V185-V248 HydrophobicContact CG1-CB 4.39Å; V185-V248 HydrophobicContact CG2-CB 4.47Å; V185-I250 HydrophobicContact CG1-CD1 3.77Å; V185-I250 HydrophobicContact CG1-CG1 4.43Å; V185-V397 HydrophobicContact CG1-CG1 4.31Å; V185-V397 HydrophobicContact CG2-CG1 3.95Å; V185-V401 HydrophobicContact CG2-CG1 4.2Å
186T98.6Very high79.6Confident0 Ų064.8 Ų64.80%034%0.343CS..EExtended strand (participates in β ladder)trans-112.2132.4174.3-64.70000110.5V188 V211 L213 S243 S246 V248 V249 I250T186-V188 HydrophobicContact CG2-CG2 4.23Å; T186-V211 CarbonylContact C-O 3.6Å; T186-V211 VanDerWaalsContact CA-O 3.3Å; T186-V211 WeakPolarHBondContact CA-O 3.31Å; T186-V211 HydrophobicContact CG2-CB 4.42Å; T186-V211 HydrophobicContact CG2-CG1 4.49Å; T186-L213 HydrophobicContact CG2-CD1 3.8Å; T186-L213 HydrophobicContact CG2-CG 3.92Å; T186-S243 WeakPolarHBondContact OG1-CA 3.3Å; T186-S246 PolarHBondContact OG1-OG 3.22Å; T186-V248 PolarHBondContact N-O 2.7Å; T186-V249 HydrophobicContact CG2-CG1 4.45Å; T186-V249 CarbonylContact O-C 3.49Å; T186-V249 WeakPolarHBondContact O-CA 3.26Å; T186-I250 PolarHBondContact O-N 3.4Å
187V98.4Very high82.7Confident0 Ų057.8 Ų57.80%031%0.306CS..EExtended strand (participates in β ladder)trans-106.6125.4169.3-179.50000108.3C197 I201 L210 V211 L212 L213 I250 T252V187-C197 HydrophobicContact CG1-CB 4.47Å; V187-C197 HydrophobicContact CG2-CB 4.44Å; V187-I201 HydrophobicContact CG2-CD1 4.4Å; V187-L210 HydrophobicContact CG2-CD2 4.42Å; V187-V211 PolarHBondContact N-O 2.83Å; V187-L212 HydrophobicContact CB-CD1 3.9Å; V187-L212 HydrophobicContact CG1-CD1 3.81Å; V187-L213 PolarHBondContact O-N 3.18Å; V187-I250 HydrophobicContact CG2-CD1 4.04Å; V187-T252 HydrophobicContact CG1-CG2 4.21Å
188V97.3Very high85.6Confident0 Ų048.3 Ų48.30%026%0.262CS..EExtended strand (participates in β ladder)trans-102.9112.4-179.6-171.30000108.9T186 L213 L215 V249 I250 F251 T252 V253 L276 L280T186-V188 HydrophobicContact CG2-CG2 4.23Å; V188-L213 HydrophobicContact CG2-CD1 4.38Å; V188-L215 HydrophobicContact CG1-CD1 3.54Å; V188-V249 HydrophobicContact CG2-CG1 3.72Å; V188-I250 WeakPolarHBondContact CB-O 3.39Å; V188-I250 PolarHBondContact N-O 2.84Å; V188-F251 HydrophobicContact CB-CD1 4.41Å; V188-F251 HydrophobicContact CG1-CD1 4.46Å; V188-F251 HydrophobicContact CG2-CD1 4.49Å; V188-T252 PolarHBondContact O-N 3.1Å; V188-T252 PolarHBondContact O-OG1 2.97Å; V188-V253 HydrophobicContact CG1-CG1 4.17Å; V188-V253 PolarHBondContact O-N 3.41Å; V188-L276 HydrophobicContact CG1-CD1 4.43Å; V188-L280 HydrophobicContact CG1-CD1 4.26Å; V188-L280 HydrophobicContact CG2-CD1 3.68Å
189G92.3Very high88.5Confident5 Ų544.6 Ų44.65%0.05225%0.247CC..  trans113.7122.1-17900000112.9G194 L212 L213 T252 V253G189-G194 WeakPolarHBondContact O-CA 3.39Å; G189-L212 WeakPolarHBondContact O-CD1 3.46Å; G189-L213 WeakPolarHBondContact CA-O 3.22Å; G189-L213 PolarHBondContact N-O 3.48Å; G189-T252 PolarHBondContact O-OG1 2.64Å; G189-V253 VanDerWaalsContact CA-CG1 3.43Å
190G88.9Confident91.4Very high10 Ų1037 Ų3710%0.10321%0.207CC..  trans-87.610.417800000115.5
191G89.4Confident93.6Very high44 Ų4429.1 Ų29.145%0.45417%0.173SC..SBendtrans-74.7176.2177.800000113.2L193 G194 I195G191-L193 PolarHBondContact O-N 3.31Å; G191-G194 PolarHBondContact O-N 3.03Å; G191-I195 WeakPolarHBondContact O-CG1 3.38Å; G191-I195 PolarHBondContact O-N 3.2Å
192E90.4Very high94.7Very high153 Ų15326.3 Ų26.372%0.71516%0.157SC*.Hα-helixtrans-48.9-40.5-175.7-66-173.9174.500114.3A196 S386E192-A196 VanDerWaalsContact O-CB 3.26Å; E192-A196 WeakPolarHBondContact O-CB 3.2Å; E192-A196 PolarHBondContact O-N 3.45Å; E192-S386 PolarHBondContact OE2-OG 2.74Å
193L92.4Very high95.1Very high28 Ų2826.5 Ų26.515%0.14717%0.168CC..Hα-helixtrans-67.9-43178.7179.758.8000112.1G191 A196 C197 T252 A292 V389G191-L193 PolarHBondContact O-N 3.31Å; L193-A196 PolarHBondContact O-N 2.99Å; L193-C197 PolarHBondContact O-N 3.5Å; L193-C197 PolarHBondContact O-SG 2.93Å; L193-T252 HydrophobicContact CD2-CG2 4.32Å; L193-T252 HydrophobicContact CG-CG2 4.07Å; L193-A292 HydrophobicContact CD2-CB 4.07Å; L193-V389 HydrophobicContact CD1-CB 3.66Å; L193-V389 HydrophobicContact CD1-CG1 3.6Å
194G94.4Very high95.1Very high0 Ų030.3 Ų30.30%018%0.183CC..Hα-helixtrans-65.6-39.8177.200000112.4G189 G191 C197 T198 T252G189-G194 WeakPolarHBondContact O-CA 3.39Å; G191-G194 PolarHBondContact O-N 3.03Å; G194-C197 PolarHBondContact O-N 3.15Å; G194-T198 WeakPolarHBondContact O-CB 3.46Å; G194-T198 PolarHBondContact O-N 3.49Å; G194-T198 PolarHBondContact O-OG1 2.84Å; G194-T252 WeakPolarHBondContact CA-OG1 3.39Å
195I93.9Very high94.9Very high24 Ų2431.8 Ų31.812%0.12321%0.207CC..Hα-helixtrans-63.6-46.4172.6-57.9-63.9000110.8G191 C197 T198 L199 L212 A222 T223 L226G191-I195 WeakPolarHBondContact O-CG1 3.38Å; G191-I195 PolarHBondContact O-N 3.2Å; I195-C197 VanDerWaalsContact C-N 3.32Å; I195-C197 PolarHBondContact O-N 3.19Å; I195-T198 WeakPolarHBondContact O-CB 3.34Å; I195-T198 PolarHBondContact O-N 2.87Å; I195-T198 VanDerWaalsContact O-N 3.17Å; I195-L199 HydrophobicContact CG2-CD1 3.93Å; I195-L199 HydrophobicContact CG2-CG 4.26Å; I195-L199 WeakPolarHBondContact O-CG 3.24Å; I195-L199 PolarHBondContact O-N 2.77Å; I195-L212 HydrophobicContact CD1-CD2 3.85Å; I195-A222 HydrophobicContact CD1-CB 4.24Å; I195-A222 HydrophobicContact CG1-CB 4.02Å; I195-T223 HydrophobicContact CD1-CG2 4.11Å; I195-L226 HydrophobicContact CB-CD1 4.44Å; I195-L226 HydrophobicContact CD1-CD1 3.41Å; I195-L226 VanDerWaalsContact CD1-CD1 3.41Å; I195-L226 HydrophobicContact CG1-CD1 4.43Å; I195-L226 HydrophobicContact CG2-CD1 3.75Å
196A95.6Very high94.7Very high18 Ų1832.2 Ų32.215%0.14921%0.209CC..Hα-helixtrans-59.3-41.6176.600000112.4E192 L193 A200 S386E192-A196 VanDerWaalsContact O-CB 3.26Å; E192-A196 WeakPolarHBondContact O-CB 3.2Å; E192-A196 PolarHBondContact O-N 3.45Å; L193-A196 PolarHBondContact O-N 2.99Å; A196-A200 WeakPolarHBondContact O-CB 3.35Å; A196-A200 PolarHBondContact O-N 2.82Å; A196-S386 WeakPolarHBondContact CB-O 3.27Å
197C97.3Very high94.4Very high0 Ų033 Ų330%022%0.216CC..Hα-helixtrans-63-47.7173.7-65.60000111V187 L193 G194 I195 L199 A200 I201 V393V187-C197 HydrophobicContact CG1-CB 4.47Å; V187-C197 HydrophobicContact CG2-CB 4.44Å; L193-C197 PolarHBondContact O-N 3.5Å; L193-C197 PolarHBondContact O-SG 2.93Å; G194-C197 PolarHBondContact O-N 3.15Å; I195-C197 VanDerWaalsContact C-N 3.32Å; I195-C197 PolarHBondContact O-N 3.19Å; C197-L199 PolarHBondContact O-N 2.88Å; C197-A200 PolarHBondContact O-N 2.96Å; C197-I201 WeakPolarHBondContact O-CB 3.38Å; C197-I201 WeakPolarHBondContact O-CD1 3.26Å; C197-I201 WeakPolarHBondContact O-CG1 3.34Å; C197-I201 PolarHBondContact O-N 3.28Å; C197-V393 HydrophobicContact CB-CG1 4.39Å
198T96.3Very high94.2Very high0 Ų035.9 Ų35.90%023%0.231CC..Hα-helixtrans-57.6-49.7-180-62.10000111.7G194 I195 S202 L210 L226 V234G194-T198 WeakPolarHBondContact O-CB 3.46Å; G194-T198 PolarHBondContact O-N 3.49Å; G194-T198 PolarHBondContact O-OG1 2.84Å; I195-T198 WeakPolarHBondContact O-CB 3.34Å; I195-T198 PolarHBondContact O-N 2.87Å; I195-T198 VanDerWaalsContact O-N 3.17Å; T198-S202 VanDerWaalsContact O-CB 3.28Å; T198-S202 WeakPolarHBondContact O-CB 3.29Å; T198-S202 PolarHBondContact O-N 3.36Å; T198-S202 PolarHBondContact O-OG 3.23Å; T198-L210 HydrophobicContact CG2-CD1 4.35Å; T198-L210 HydrophobicContact CG2-CD2 3.66Å; T198-L226 HydrophobicContact CG2-CD1 4.33Å; T198-L226 HydrophobicContact CG2-CD2 3.84Å; T198-V234 HydrophobicContact CG2-CG1 4.16Å
199L95.9Very high94.1Very high83 Ų8341.4 Ų41.444%0.43525%0.252SS..Hα-helixtrans-65.5-42.2178.4-66.9177.6000111.9I195 C197 S202 A203 L231I195-L199 HydrophobicContact CG2-CD1 3.93Å; I195-L199 HydrophobicContact CG2-CG 4.26Å; I195-L199 WeakPolarHBondContact O-CG 3.24Å; I195-L199 PolarHBondContact O-N 2.77Å; C197-L199 PolarHBondContact O-N 2.88Å; L199-S202 PolarHBondContact O-N 2.89Å; L199-A203 WeakPolarHBondContact O-CB 3.44Å; L199-A203 PolarHBondContact O-N 2.88Å; L199-L231 HydrophobicContact CD2-CD1 3.76Å
200A97.6Very high94.3Very high10 Ų1041.4 Ų41.48%0.08325%0.251CS..Hα-helixtrans-66-40.817900000112.7A196 C197 K204 L391 A394A196-A200 WeakPolarHBondContact O-CB 3.35Å; A196-A200 PolarHBondContact O-N 2.82Å; C197-A200 PolarHBondContact O-N 2.96Å; A200-K204 PolarHBondContact O-N 3.44Å; A200-L391 HydrophobicContact CB-CD2 4.09Å; A200-A394 HydrophobicContact CB-CB 3.74Å
201I97.4Very high94.7Very high1 Ų140.9 Ų40.91%0.00525%0.246CC..Hα-helixtrans-67.2-43.2177.2-66.1166.2000110.3V185 V187 C197 K204 G205 I206 A207 L210 I250 A394 V397V185-I201 HydrophobicContact CG1-CD1 4.29Å; V187-I201 HydrophobicContact CG2-CD1 4.4Å; C197-I201 WeakPolarHBondContact O-CB 3.38Å; C197-I201 WeakPolarHBondContact O-CD1 3.26Å; C197-I201 WeakPolarHBondContact O-CG1 3.34Å; C197-I201 PolarHBondContact O-N 3.28Å; I201-K204 PolarHBondContact O-N 2.87Å; I201-G205 PolarHBondContact O-N 2.84Å; I201-I206 HydrophobicContact CG2-CB 4.07Å; I201-I206 PolarHBondContact O-N 3.31Å; I201-A207 HydrophobicContact CG2-CB 4.02Å; I201-L210 HydrophobicContact CB-CD1 3.75Å; I201-L210 HydrophobicContact CD1-CD1 4.42Å; I201-L210 HydrophobicContact CG2-CD1 3.53Å; I201-I250 HydrophobicContact CD1-CD1 3.56Å; I201-A394 HydrophobicContact CG1-CB 3.86Å; I201-V397 HydrophobicContact CD1-CG2 4.24Å
202S95.8Very high95.1Very high39 Ų3938.8 Ų38.827%0.27322%0.224SC..Hα-helixtrans-65.2-46.1177.7-56.30000111.7T198 L199 K204 G205T198-S202 VanDerWaalsContact O-CB 3.28Å; T198-S202 WeakPolarHBondContact O-CB 3.29Å; T198-S202 PolarHBondContact O-N 3.36Å; T198-S202 PolarHBondContact O-OG 3.23Å; L199-S202 PolarHBondContact O-N 2.89Å; S202-K204 VanDerWaalsContact C-N 3.27Å; S202-K204 PolarHBondContact O-N 2.98Å; S202-G205 PolarHBondContact O-N 3.1Å
203A95.8Very high95.3Very high90 Ų9031.5 Ų31.574%0.74419%0.19SC*.Hα-helixtrans-63-31.8-179.600000113.1L199L199-A203 WeakPolarHBondContact O-CB 3.44Å; L199-A203 PolarHBondContact O-N 2.88Å
204K94.1Very high95.1Very high102 Ų10230.6 Ų30.644%0.44319%0.185SC..THydrogen-bonded Turntrans-85.2-6.7174.2-77.6-173.2164.5-172.50113.8A200 I201 S202 I206 A394 D395A200-K204 PolarHBondContact O-N 3.44Å; I201-K204 PolarHBondContact O-N 2.87Å; S202-K204 VanDerWaalsContact C-N 3.27Å; S202-K204 PolarHBondContact O-N 2.98Å; K204-I206 VanDerWaalsContact C-N 3.27Å; K204-I206 HydrophobicContact CB-CD1 3.56Å; K204-I206 HydrophobicContact CB-CG1 3.6Å; K204-I206 HydrophobicContact CD-CD1 3.7Å; K204-I206 HydrophobicContact CD-CG1 4.42Å; K204-I206 HydrophobicContact CG-CD1 4.27Å; K204-I206 PolarHBondContact O-N 3.4Å; K204-A394 HydrophobicContact CD-CB 4.48Å; K204-D395 IonicContact NZ-OD1 2.78Å
205G93.4Very high94.6Very high61 Ų6133.5 Ų33.563%0.62920%0.201SC*.THydrogen-bonded Turntrans60.234.2-177.500000113.6I201 S202I201-G205 PolarHBondContact O-N 2.84Å; S202-G205 PolarHBondContact O-N 3.1Å
206I92.9Very high93.6Very high8 Ų834.8 Ų34.84%0.04121%0.212CC..  trans-74.9-35.3-172.6-66.5158.8000112.1I201 K204 A394 V397 D398 V401I201-I206 HydrophobicContact CG2-CB 4.07Å; I201-I206 PolarHBondContact O-N 3.31Å; K204-I206 VanDerWaalsContact C-N 3.27Å; K204-I206 HydrophobicContact CB-CD1 3.56Å; K204-I206 HydrophobicContact CB-CG1 3.6Å; K204-I206 HydrophobicContact CD-CD1 3.7Å; K204-I206 HydrophobicContact CD-CG1 4.42Å; K204-I206 HydrophobicContact CG-CD1 4.27Å; K204-I206 PolarHBondContact O-N 3.4Å; I206-A394 HydrophobicContact CD1-CB 3.99Å; I206-A394 WeakPolarHBondContact CD1-O 3.32Å; I206-V397 HydrophobicContact CG2-CG1 3.88Å; I206-D398 HydrophobicContact CD1-CB 3.79Å; I206-D398 HydrophobicContact CG1-CB 3.93Å; I206-D398 HydrophobicContact CG2-CB 4.17Å; I206-V401 HydrophobicContact CG2-CG2 3.45Å; I206-V401 VanDerWaalsContact CG2-CG2 3.45Å
207A92.6Very high91.7Very high16 Ų1643.7 Ų43.713%0.13225%0.25CS..  trans-108.1137.4-175.600000111N183 V185 I201 R209N183-A207 CarbonylContact O-C 3.59Å; N183-A207 WeakPolarHBondContact O-CA 3.45Å; V185-A207 HydrophobicContact CB-CB 4.06Å; V185-A207 HydrophobicContact CG2-CB 3.77Å; I201-A207 HydrophobicContact CG2-CB 4.02Å; A207-R209 VanDerWaalsContact C-N 3.31Å
208D94Very high89.3Confident62 Ų6246 Ų4633%0.33227%0.274SS..SBendtrans-73.5-28.5170.9-65.6-50.9000111V182 N183 N233V182-D208 HydrophobicContact CG1-CB 3.67Å; N183-D208 HydrophobicContact CB-CB 4.41Å; N183-D208 WeakPolarHBondContact CB-OD2 3.38Å; N183-D208 PolarHBondContact N-OD2 2.69Å; N183-D208 PolarHBondContact O-N 3.37Å; D208-N233 WeakPolarHBondContact O-CB 3.27Å
209R95.3Very high86.5Confident116 Ų11651.8 Ų51.844%0.43831%0.31SS..EExtended strand (participates in β ladder)trans-145.7131.7172.9-172.5172.1-177.8161.1-0.8109.9V182 N183 K184 V185 A207 E235V182-R209 HydrophobicContact CG1-CB 4.49Å; N183-R209 PolarHBondContact O-N 3.4Å; K184-R209 CarbonylContact C-O 3.4Å; K184-R209 VanDerWaalsContact CA-O 3.28Å; K184-R209 WeakPolarHBondContact CA-O 3.47Å; K184-R209 HydrophobicContact CG-CB 4.46Å; V185-R209 PolarHBondContact N-O 2.62Å; A207-R209 VanDerWaalsContact C-N 3.31Å; R209-E235 IonicContact CZ-OE2 2.72Å; R209-E235 VanDerWaalsContact CZ-OE2 3.29Å; R209-E235 IonicContact NE-OE2 2.73Å; R209-E235 PolarHBondContact NE-OE2 2.88Å; R209-E235 VanDerWaalsContact NE-OE2 3.13Å; R209-E235 IonicContact NH2-OE1 3.82Å; R209-E235 IonicContact NH2-OE2 3.19Å; R209-E235 PolarHBondContact NH2-OE2 3.14Å
210L97.5Very high84.2Confident4 Ų454.7 Ų54.72%0.02132%0.319CS..EExtended strand (participates in β ladder)trans-118.9129.7178.6-168.2154000109.2V185 V187 T198 I201 N233 V234 E235V185-L210 CarbonylContact O-C 3.49Å; V185-L210 VanDerWaalsContact O-CA 3.31Å; V185-L210 WeakPolarHBondContact O-CA 3.48Å; V187-L210 HydrophobicContact CG2-CD2 4.42Å; T198-L210 HydrophobicContact CG2-CD1 4.35Å; T198-L210 HydrophobicContact CG2-CD2 3.66Å; I201-L210 HydrophobicContact CB-CD1 3.75Å; I201-L210 HydrophobicContact CD1-CD1 4.42Å; I201-L210 HydrophobicContact CG2-CD1 3.53Å; L210-N233 PolarHBondContact N-O 3.45Å; L210-V234 HydrophobicContact CB-CG2 4.29Å; L210-V234 HydrophobicContact CD2-CG1 4.1Å; L210-V234 CarbonylContact O-C 3.51Å; L210-V234 WeakPolarHBondContact O-CA 3.29Å; L210-E235 PolarHBondContact O-N 3Å
211V97.6Very high81.9Confident0 Ų056 Ų560%033%0.334CS..EExtended strand (participates in β ladder)trans-111.4125.7174.8179.40000108.9V185 T186 V187 L213 E235 A242V185-V211 PolarHBondContact O-N 3.38Å; T186-V211 CarbonylContact C-O 3.6Å; T186-V211 VanDerWaalsContact CA-O 3.3Å; T186-V211 WeakPolarHBondContact CA-O 3.31Å; T186-V211 HydrophobicContact CG2-CB 4.42Å; T186-V211 HydrophobicContact CG2-CG1 4.49Å; V187-V211 PolarHBondContact N-O 2.83Å; V211-L213 HydrophobicContact CG1-CD2 4.08Å; V211-L213 HydrophobicContact CG1-CG 4.29Å; V211-E235 CarbonylContact C-O 3.59Å; V211-E235 VanDerWaalsContact CA-O 3.28Å; V211-E235 WeakPolarHBondContact CA-O 3.32Å; V211-E235 HydrophobicContact CG2-CB 4.4Å; V211-A242 HydrophobicContact CG1-CB 4.06Å
212L96.9Very high79.9Confident0 Ų058.3 Ų58.30%035%0.352CS..EExtended strand (participates in β ladder)trans-103.8111.8171.1178.761.1000108.7V187 G189 I195 T223 L226 E235 I236 S237V187-L212 HydrophobicContact CB-CD1 3.9Å; V187-L212 HydrophobicContact CG1-CD1 3.81Å; G189-L212 WeakPolarHBondContact O-CD1 3.46Å; I195-L212 HydrophobicContact CD1-CD2 3.85Å; L212-T223 HydrophobicContact CD2-CG2 3.82Å; L212-L226 HydrophobicContact CD2-CD1 4.47Å; L212-E235 PolarHBondContact N-O 3.42Å; L212-I236 HydrophobicContact CB-CG1 4.37Å; L212-I236 HydrophobicContact CD2-CD1 4.45Å; L212-I236 HydrophobicContact CD2-CG1 4.5Å; L212-I236 WeakPolarHBondContact O-CA 3.31Å; L212-S237 PolarHBondContact O-N 2.83Å
213L95.3Very high78.8Confident0 Ų056.8 Ų56.80%034%0.342CS..EExtended strand (participates in β ladder)trans-87.2106.2174.3-68.1-179.3000110.5T186 V187 V188 G189 V211 L215 S237 D239 L240 A242 L280T186-L213 HydrophobicContact CG2-CD1 3.8Å; T186-L213 HydrophobicContact CG2-CG 3.92Å; V187-L213 PolarHBondContact O-N 3.18Å; V188-L213 HydrophobicContact CG2-CD1 4.38Å; G189-L213 WeakPolarHBondContact CA-O 3.22Å; G189-L213 PolarHBondContact N-O 3.48Å; V211-L213 HydrophobicContact CG1-CD2 4.08Å; V211-L213 HydrophobicContact CG1-CG 4.29Å; L213-L215 PolarHBondContact O-N 3.48Å; L213-S237 VanDerWaalsContact CA-O 3.28Å; L213-S237 WeakPolarHBondContact CA-O 3.27Å; L213-D239 WeakPolarHBondContact CD2-O 3.38Å; L213-L240 HydrophobicContact CD1-CD2 3.9Å; L213-A242 HydrophobicContact CD2-CB 4.36Å; L213-L280 HydrophobicContact CD1-CD2 3.69Å
214D88.6Confident78Confident9 Ų956.4 Ų56.45%0.04833%0.326CS..  trans-92.195.6177.3-170.32.6000111S216 T223 S237 K238D214-S216 VanDerWaalsContact C-N 3.25Å; D214-S216 PolarHBondContact O-N 3.25Å; D214-S216 WeakPolarHBondContact OD1-CB 3.48Å; D214-S216 PolarHBondContact OD1-N 2.88Å; D214-S216 VanDerWaalsContact OD1-N 3.14Å; D214-S216 PolarHBondContact OD1-OG 3.33Å; D214-T223 HydrophobicContact CB-CG2 3.99Å; D214-T223 VanDerWaalsContact OD2-CG2 3.32Å; D214-T223 WeakPolarHBondContact OD2-CG2 3.2Å; D214-T223 PolarHBondContact OD2-OG1 3.46Å; D214-S237 PolarHBondContact N-O 2.75Å; D214-K238 WeakPolarHBondContact O-CG 3.18Å
215L82.2Confident77.4Confident61 Ų6155.7 Ų55.732%0.31933%0.326SS..  trans-87.811.9-178.8-56.6175.5000113V188 L213 L240 V253 L276V188-L215 HydrophobicContact CG1-CD1 3.54Å; L213-L215 PolarHBondContact O-N 3.48Å; L215-L240 HydrophobicContact CD2-CD2 3.84Å; L215-V253 HydrophobicContact CD1-CG1 4.22Å; L215-L276 HydrophobicContact CD1-CD1 3.46Å; L215-L276 VanDerWaalsContact CD1-CD1 3.46Å; L215-L276 HydrophobicContact CD1-CD2 3.48Å; L215-L276 VanDerWaalsContact CD1-CD2 3.48Å; L215-L276 HydrophobicContact CD1-CG 4.11Å; L215-L276 HydrophobicContact CD2-CD2 4.37Å
216S73.9Confident76.9Confident51 Ų5153.3 Ų53.336%0.35730%0.299SS..  trans-79.8136.6179.367.40000112.5D214 G218 K238D214-S216 VanDerWaalsContact C-N 3.25Å; D214-S216 PolarHBondContact O-N 3.25Å; D214-S216 WeakPolarHBondContact OD1-CB 3.48Å; D214-S216 PolarHBondContact OD1-N 2.88Å; D214-S216 VanDerWaalsContact OD1-N 3.14Å; D214-S216 PolarHBondContact OD1-OG 3.33Å; S216-G218 VanDerWaalsContact C-N 3.33Å; S216-K238 PolarHBondContact O-NZ 2.97Å
217E56.1Low76.4Confident204 Ų20457.9 Ų57.995%0.95332%0.321SS*.SBendtrans-81.1-4.2179.6-69.7-96.2142.300112.8
218G46.4Very low76.2Confident48 Ų4862.5 Ų62.550%0.49534%0.342SS..SBendtrans-163.1153.4-174.700000117.9S216S216-G218 VanDerWaalsContact C-N 3.33Å
219T38.1Very low75.9Confident123 Ų12367.2 Ų67.276%0.75536%0.359SS*.  trans43.897.1-178.5470000116.8G221T219-G221 PolarHBondContact O-N 3.48Å
220K45.9Very low75.6Confident143 Ų14367.9 Ų67.962%0.62237%0.372SS*.  trans-58.357.1168-52.9-178.9174.1-1740113.6M224K220-M224 HydrophobicContact CB-CB 3.98Å; K220-M224 WeakPolarHBondContact O-CB 3.16Å
221G50.4Low75.1Confident39 Ų3969.8 Ų69.840%0.40238%0.382SS..SBendtrans-81.5-66.3172.200000110.2T219 T223 D225T219-G221 PolarHBondContact O-N 3.48Å; G221-T223 PolarHBondContact O-N 3.34Å; G221-D225 PolarHBondContact O-N 3.13Å
222A55.7Low74.6Confident48 Ų4874.8 Ų74.840%0.39741%0.414SS..Hα-helixtrans-71.3-37.5-166.700000114.2I195I195-A222 HydrophobicContact CD1-CB 4.24Å; I195-A222 HydrophobicContact CG1-CB 4.02Å
223T71.4Confident74.3Confident8 Ų880 Ų805%0.04944%0.442CS..Hα-helixtrans-85.1-29.5179.247.50000113I195 L212 D214 G221 D225 L226 E227 I236I195-T223 HydrophobicContact CD1-CG2 4.11Å; L212-T223 HydrophobicContact CD2-CG2 3.82Å; D214-T223 HydrophobicContact CB-CG2 3.99Å; D214-T223 VanDerWaalsContact OD2-CG2 3.32Å; D214-T223 WeakPolarHBondContact OD2-CG2 3.2Å; D214-T223 PolarHBondContact OD2-OG1 3.46Å; G221-T223 PolarHBondContact O-N 3.34Å; T223-D225 PolarHBondContact O-N 2.96Å; T223-L226 CarbonylContact O-C 3.56Å; T223-L226 WeakPolarHBondContact O-CA 3.28Å; T223-L226 WeakPolarHBondContact O-CB 3.3Å; T223-L226 PolarHBondContact O-N 2.94Å; T223-L226 VanDerWaalsContact O-N 3.1Å; T223-E227 PolarHBondContact O-N 3.19Å; T223-I236 HydrophobicContact CG2-CG2 4.41Å; T223-I236 WeakPolarHBondContact O-CD1 3.48Å
224M79.3Confident74.2Confident82 Ų8281.2 Ų81.240%0.40445%0.45SS..Hα-helixtrans-62.8-42175-171.7178.491.400111.9K220 L226 E227 I228K220-M224 HydrophobicContact CB-CB 3.98Å; K220-M224 WeakPolarHBondContact O-CB 3.16Å; M224-L226 PolarHBondContact O-N 2.85Å; M224-E227 PolarHBondContact O-N 3.06Å; M224-E227 VanDerWaalsContact O-N 3.17Å; M224-I228 HydrophobicContact CE-CD1 3.97Å; M224-I228 HydrophobicContact CG-CD1 4.04Å; M224-I228 HydrophobicContact CG-CG1 4.47Å; M224-I228 VanDerWaalsContact O-CG1 3.26Å; M224-I228 WeakPolarHBondContact O-CG1 3.49Å; M224-I228 PolarHBondContact O-N 3.34Å
225D81.9Confident74.5Confident86 Ų8683.7 Ų83.746%0.4646%0.461SS..Hα-helixtrans-57.1-42.1174.3-69.1-25.2000110.2G221 T223 I228 F229G221-D225 PolarHBondContact O-N 3.13Å; T223-D225 PolarHBondContact O-N 2.96Å; D225-I228 WeakPolarHBondContact O-CB 3.46Å; D225-I228 PolarHBondContact O-N 3.48Å; D225-F229 WeakPolarHBondContact O-CD2 3.25Å; D225-F229 PolarHBondContact O-N 2.86Å
226L82.8Confident75Confident11 Ų1182.6 Ų82.66%0.05846%0.455CS..Hα-helixtrans-67.6-35.7178.8-128138.1000112.8I195 T198 L212 T223 M224 N230 L231 V234 I236I195-L226 HydrophobicContact CB-CD1 4.44Å; I195-L226 HydrophobicContact CD1-CD1 3.41Å; I195-L226 VanDerWaalsContact CD1-CD1 3.41Å; I195-L226 HydrophobicContact CG1-CD1 4.43Å; I195-L226 HydrophobicContact CG2-CD1 3.75Å; T198-L226 HydrophobicContact CG2-CD1 4.33Å; T198-L226 HydrophobicContact CG2-CD2 3.84Å; L212-L226 HydrophobicContact CD2-CD1 4.47Å; T223-L226 CarbonylContact O-C 3.56Å; T223-L226 WeakPolarHBondContact O-CA 3.28Å; T223-L226 WeakPolarHBondContact O-CB 3.3Å; T223-L226 PolarHBondContact O-N 2.94Å; T223-L226 VanDerWaalsContact O-N 3.1Å; M224-L226 PolarHBondContact O-N 2.85Å; L226-N230 PolarHBondContact O-N 2.97Å; L226-L231 HydrophobicContact CD2-CD1 3.84Å; L226-L231 HydrophobicContact CG-CD1 4.41Å; L226-V234 HydrophobicContact CD2-CG1 3.88Å; L226-I236 HydrophobicContact CB-CD1 3.77Å; L226-I236 HydrophobicContact CD2-CD1 4.19Å
227E82.8Confident75.9Confident105 Ų10581.3 Ų81.349%0.49145%0.446SS..Hα-helixtrans-64.8-42.6169.6-65-175165.400111.6T223 M224 F229 N230 I236T223-E227 PolarHBondContact O-N 3.19Å; M224-E227 PolarHBondContact O-N 3.06Å; M224-E227 VanDerWaalsContact O-N 3.17Å; E227-F229 PolarHBondContact O-N 3.46Å; E227-N230 WeakPolarHBondContact O-CA 3.33Å; E227-N230 PolarHBondContact O-N 3.48Å; E227-I236 HydrophobicContact CG-CD1 3.61Å; E227-I236 HydrophobicContact CG-CG1 4.44Å
228I87.2Confident77.5Confident113 Ų11378 Ų7858%0.57943%0.428SS*.Hα-helixtrans-61.3-45.2178-70.3163.9000110.7M224 D225 N230M224-I228 HydrophobicContact CE-CD1 3.97Å; M224-I228 HydrophobicContact CG-CD1 4.04Å; M224-I228 HydrophobicContact CG-CG1 4.47Å; M224-I228 VanDerWaalsContact O-CG1 3.26Å; M224-I228 WeakPolarHBondContact O-CG1 3.49Å; M224-I228 PolarHBondContact O-N 3.34Å; D225-I228 WeakPolarHBondContact O-CB 3.46Å; D225-I228 PolarHBondContact O-N 3.48Å; I228-N230 PolarHBondContact O-N 3.26Å
229F88.5Confident79.7Confident160 Ų16079.9 Ų79.970%0.70243%0.427SS*.Hα-helixtrans-68.9-16.3177.5-79.8-71.8000113D225 E227 L231D225-F229 WeakPolarHBondContact O-CD2 3.25Å; D225-F229 PolarHBondContact O-N 2.86Å; E227-F229 PolarHBondContact O-N 3.46Å; F229-L231 VanDerWaalsContact C-N 3.3Å; F229-L231 PolarHBondContact O-N 2.88Å
230N88.2Confident82.4Confident131 Ų13175.6 Ų75.670%0.70140%0.399SS*.THydrogen-bonded Turntrans43.754.7174.9-169.929000112.1L226 E227 I228L226-N230 PolarHBondContact O-N 2.97Å; E227-N230 WeakPolarHBondContact O-CA 3.33Å; E227-N230 PolarHBondContact O-N 3.48Å; I228-N230 PolarHBondContact O-N 3.26Å
231L88.4Confident84.7Confident44 Ų4470.9 Ų70.923%0.2339%0.385CS..  trans-58.4132.5-176.5-68.8178.3000110L199 L226 F229 N233 V234L199-L231 HydrophobicContact CD2-CD1 3.76Å; L226-L231 HydrophobicContact CD2-CD1 3.84Å; L226-L231 HydrophobicContact CG-CD1 4.41Å; F229-L231 VanDerWaalsContact C-N 3.3Å; F229-L231 PolarHBondContact O-N 2.88Å; L231-N233 PolarHBondContact O-N 3.29Å; L231-V234 HydrophobicContact CB-CB 3.99Å; L231-V234 HydrophobicContact CB-CG2 3.65Å; L231-V234 HydrophobicContact CD1-CG2 4.25Å; L231-V234 PolarHBondContact O-N 3.2Å
232P86.4Confident86.8Confident104 Ų10469.8 Ų69.868%0.67537%0.371SS*.THydrogen-bonded Turntrans-60.4138.717926.6-33.9000109.5V234P232-V234 PolarHBondContact O-N 3.5Å
233N90.6Very high88.8Confident110 Ų11067.5 Ų67.559%0.58835%0.353SS*.THydrogen-bonded Turntrans66.58.7178.9-49.7-31.1000115.9D208 L210 L231D208-N233 WeakPolarHBondContact O-CB 3.27Å; L210-N233 PolarHBondContact N-O 3.45Å; L231-N233 PolarHBondContact O-N 3.29Å
234V94.5Very high90Very high26 Ų2668 Ų6816%0.15836%0.358CS..EExtended strand (participates in β ladder)trans-101.1127.4173.6-178.40000109.8T198 L210 L226 L231 P232 I236T198-V234 HydrophobicContact CG2-CG1 4.16Å; L210-V234 HydrophobicContact CB-CG2 4.29Å; L210-V234 HydrophobicContact CD2-CG1 4.1Å; L210-V234 CarbonylContact O-C 3.51Å; L210-V234 WeakPolarHBondContact O-CA 3.29Å; L226-V234 HydrophobicContact CD2-CG1 3.88Å; L231-V234 HydrophobicContact CB-CB 3.99Å; L231-V234 HydrophobicContact CB-CG2 3.65Å; L231-V234 HydrophobicContact CD1-CG2 4.25Å; L231-V234 PolarHBondContact O-N 3.2Å; P232-V234 PolarHBondContact O-N 3.5Å; V234-I236 HydrophobicContact CG1-CG1 4.46Å
235E94.1Very high90.8Very high61 Ų6172 Ų7229%0.28538%0.375SS..EExtended strand (participates in β ladder)trans-117126.5175.1176.9-176.8176.800108.9R209 L210 V211 L212R209-E235 IonicContact CZ-OE2 2.72Å; R209-E235 VanDerWaalsContact CZ-OE2 3.29Å; R209-E235 IonicContact NE-OE2 2.73Å; R209-E235 PolarHBondContact NE-OE2 2.88Å; R209-E235 VanDerWaalsContact NE-OE2 3.13Å; R209-E235 IonicContact NH2-OE1 3.82Å; R209-E235 IonicContact NH2-OE2 3.19Å; R209-E235 PolarHBondContact NH2-OE2 3.14Å; L210-E235 PolarHBondContact O-N 3Å; V211-E235 CarbonylContact C-O 3.59Å; V211-E235 VanDerWaalsContact CA-O 3.28Å; V211-E235 WeakPolarHBondContact CA-O 3.32Å; V211-E235 HydrophobicContact CG2-CB 4.4Å; L212-E235 PolarHBondContact N-O 3.42Å
236I93.4Very high91.5Very high37 Ų3768.2 Ų68.219%0.1936%0.356CS..EExtended strand (participates in β ladder)trans-102.8128.5175.3-50-174.9000107.6L212 T223 L226 E227 V234L212-I236 HydrophobicContact CB-CG1 4.37Å; L212-I236 HydrophobicContact CD2-CD1 4.45Å; L212-I236 HydrophobicContact CD2-CG1 4.5Å; L212-I236 WeakPolarHBondContact O-CA 3.31Å; T223-I236 HydrophobicContact CG2-CG2 4.41Å; T223-I236 WeakPolarHBondContact O-CD1 3.48Å; L226-I236 HydrophobicContact CB-CD1 3.77Å; L226-I236 HydrophobicContact CD2-CD1 4.19Å; E227-I236 HydrophobicContact CG-CD1 3.61Å; E227-I236 HydrophobicContact CG-CG1 4.44Å; V234-I236 HydrophobicContact CG1-CG1 4.46Å
237S92.1Very high92.2Very high25 Ų2570.8 Ų70.818%0.17537%0.366CS..EExtended strand (participates in β ladder)trans-143.2154.3-178.6-1780000111.1L212 L213 D214 D239 A242L212-S237 PolarHBondContact O-N 2.83Å; L213-S237 VanDerWaalsContact CA-O 3.28Å; L213-S237 WeakPolarHBondContact CA-O 3.27Å; D214-S237 PolarHBondContact N-O 2.75Å; S237-D239 PolarHBondContact OG-N 3.45Å; S237-D239 PolarHBondContact OG-O 3.16Å; S237-A242 WeakPolarHBondContact OG-CB 3.33Å
238K90.1Very high93Very high133 Ų13365.8 Ų65.858%0.57834%0.343SS*.SBendtrans-100.2-14.7167.6-60.6-159.3171.1-159.40112.5D214 S216D214-K238 WeakPolarHBondContact O-CG 3.18Å; S216-K238 PolarHBondContact O-NZ 2.97Å
239D92.4Very high93.5Very high88 Ų8860.4 Ų60.447%0.47132%0.315SS..  trans-86.1123.4-180-175.8-0.1000110.3L213 S237 S241 A242L213-D239 WeakPolarHBondContact CD2-O 3.38Å; S237-D239 PolarHBondContact OG-N 3.45Å; S237-D239 PolarHBondContact OG-O 3.16Å; D239-S241 PolarHBondContact O-N 3.24Å; D239-S241 VanDerWaalsContact O-N 3.16Å; D239-S241 WeakPolarHBondContact OD1-CB 3.44Å; D239-S241 PolarHBondContact OD1-N 2.86Å; D239-S241 PolarHBondContact OD1-OG 3.09Å; D239-S241 PolarHBondContact OD2-OG 3.18Å; D239-A242 VanDerWaalsContact O-CB 3.29Å; D239-A242 WeakPolarHBondContact O-CB 3.31Å; D239-A242 PolarHBondContact O-N 3.02Å; D239-A242 VanDerWaalsContact O-N 3.08Å
240L93.8Very high94Very high33 Ų3352.8 Ų52.817%0.17328%0.282CS..G310 helixtrans-58-27.4176.4-58.8-177000112.5L213 L215 A242 S243 L276 A279 L280 Y283L213-L240 HydrophobicContact CD1-CD2 3.9Å; L215-L240 HydrophobicContact CD2-CD2 3.84Å; L240-A242 PolarHBondContact O-N 3.48Å; L240-S243 VanDerWaalsContact O-CB 3.31Å; L240-S243 WeakPolarHBondContact O-CB 3.45Å; L240-S243 PolarHBondContact O-N 2.69Å; L240-S243 PolarHBondContact O-OG 3.14Å; L240-L276 HydrophobicContact CD1-CD2 4.29Å; L240-L276 HydrophobicContact CD2-CD2 4.11Å; L240-A279 HydrophobicContact CD1-CB 3.76Å; L240-L280 HydrophobicContact CD2-CD2 4.25Å; L240-Y283 HydrophobicContact CB-CD2 4.27Å; L240-Y283 HydrophobicContact CB-CE2 3.95Å
241S95.1Very high94.5Very high45 Ų4546.5 Ų46.532%0.31525%0.248SC..G310 helixtrans-61.1-28177.9820000112.6D239 S243 A244D239-S241 PolarHBondContact O-N 3.24Å; D239-S241 VanDerWaalsContact O-N 3.16Å; D239-S241 WeakPolarHBondContact OD1-CB 3.44Å; D239-S241 PolarHBondContact OD1-N 2.86Å; D239-S241 PolarHBondContact OD1-OG 3.09Å; D239-S241 PolarHBondContact OD2-OG 3.18Å; S241-S243 PolarHBondContact O-N 3.14Å; S241-S243 VanDerWaalsContact O-N 3.08Å; S241-A244 VanDerWaalsContact O-CB 3.29Å; S241-A244 WeakPolarHBondContact O-CB 3.32Å; S241-A244 PolarHBondContact O-N 3.17Å
242A94.4Very high94.9Very high15 Ų1545 Ų4512%0.12424%0.241CC..G310 helixtrans-61.1-20.7175.700000112.2K184 V211 L213 S237 D239 L240 A244K184-A242 VanDerWaalsContact CE-O 3.32Å; K184-A242 WeakPolarHBondContact CE-O 3.46Å; K184-A242 PolarHBondContact NZ-O 2.94Å; V211-A242 HydrophobicContact CG1-CB 4.06Å; L213-A242 HydrophobicContact CD2-CB 4.36Å; S237-A242 WeakPolarHBondContact OG-CB 3.33Å; D239-A242 VanDerWaalsContact O-CB 3.29Å; D239-A242 WeakPolarHBondContact O-CB 3.31Å; D239-A242 PolarHBondContact O-N 3.02Å; D239-A242 VanDerWaalsContact O-N 3.08Å; L240-A242 PolarHBondContact O-N 3.48Å; A242-A244 VanDerWaalsContact C-N 3.26Å; A242-A244 PolarHBondContact O-N 3.28Å
243S96.5Very high95.2Very high0 Ų040.8 Ų40.80%021%0.213CC..G310 helixtrans-74.6-8175.772.60000114.8T186 L240 S241 S246 L280 S284T186-S243 WeakPolarHBondContact OG1-CA 3.3Å; L240-S243 VanDerWaalsContact O-CB 3.31Å; L240-S243 WeakPolarHBondContact O-CB 3.45Å; L240-S243 PolarHBondContact O-N 2.69Å; L240-S243 PolarHBondContact O-OG 3.14Å; S241-S243 PolarHBondContact O-N 3.14Å; S241-S243 VanDerWaalsContact O-N 3.08Å; S243-S246 WeakPolarHBondContact O-CB 3.41Å; S243-S246 PolarHBondContact O-N 2.81Å; S243-S246 PolarHBondContact O-OG 3.19Å; S243-L280 WeakPolarHBondContact OG-CD2 3.46Å; S243-S284 PolarHBondContact O-OG 2.96Å
244A96.6Very high94.9Very high20 Ų2038.3 Ų38.317%0.16520%0.2CC..THydrogen-bonded Turntrans-54.2140.1-169.300000114K184 S241 A242 S246 Y283K184-A244 WeakPolarHBondContact CD-O 3.31Å; K184-A244 WeakPolarHBondContact CE-O 3.5Å; K184-A244 PolarHBondContact NZ-O 3.23Å; S241-A244 VanDerWaalsContact O-CB 3.29Å; S241-A244 WeakPolarHBondContact O-CB 3.32Å; S241-A244 PolarHBondContact O-N 3.17Å; A242-A244 VanDerWaalsContact C-N 3.26Å; A242-A244 PolarHBondContact O-N 3.28Å; A244-S246 VanDerWaalsContact C-N 3.31Å; A244-S246 PolarHBondContact O-N 3.41Å; A244-Y283 WeakPolarHBondContact CA-O 3.41Å; A244-Y283 HydrophobicContact CB-CD1 4.4Å
245H96.3Very high94.2Very high166 Ų16638.3 Ų38.377%0.76920%0.201SC*.THydrogen-bonded Turntrans60.432.1179.3-46.1-65.6000114.9Y283 S284H245-Y283 PolarHBondContact N-O 3.34Å; H245-S284 PolarHBondContact N-OG 3.13Å
246S97.9Very high92.7Very high6 Ų643 Ų434%0.04223%0.227CC..  trans-71.6144.6172-650000111.6T186 S243 A244 S284 S287T186-S246 PolarHBondContact OG1-OG 3.22Å; S243-S246 WeakPolarHBondContact O-CB 3.41Å; S243-S246 PolarHBondContact O-N 2.81Å; S243-S246 PolarHBondContact O-OG 3.19Å; A244-S246 VanDerWaalsContact C-N 3.31Å; A244-S246 PolarHBondContact O-N 3.41Å; S246-S284 PolarHBondContact N-OG 3.35Å; S246-S287 VanDerWaalsContact O-CB 3.25Å; S246-S287 WeakPolarHBondContact O-CB 3.47Å
247K97.8Very high90.8Very high64 Ų6442.7 Ų42.728%0.27823%0.234SC..SBendtrans-78.3-36.3168.8-66.7-166.5178.8-175.50111.4T181 V182 N183 K184 S287 V288 V401T181-K247 PolarHBondContact OG1-NZ 3.49Å; V182-K247 WeakPolarHBondContact O-CE 3.39Å; N183-K247 WeakPolarHBondContact OD1-CD 3.5Å; N183-K247 VanDerWaalsContact OD1-CE 3.29Å; N183-K247 WeakPolarHBondContact OD1-CE 3.45Å; N183-K247 PolarHBondContact OD1-NZ 3.35Å; K184-K247 PolarHBondContact O-N 2.98Å; K247-S287 WeakPolarHBondContact O-CA 3.42Å; K247-V288 PolarHBondContact O-N 2.89Å; K247-V401 HydrophobicContact CB-CG1 4.48Å
248V98.6Very high89.1Confident0 Ų047.8 Ų47.80%027%0.269CS..EExtended strand (participates in β ladder)trans-133.8135.4177.3-173.40000109.8V185 T186 I250 V288 L290 V397 I400 V401V185-V248 WeakPolarHBondContact CA-O 3.28Å; V185-V248 HydrophobicContact CG1-CB 4.39Å; V185-V248 HydrophobicContact CG2-CB 4.47Å; T186-V248 PolarHBondContact N-O 2.7Å; V248-I250 HydrophobicContact CG1-CG1 3.97Å; V248-V288 VanDerWaalsContact CA-O 3.32Å; V248-V288 WeakPolarHBondContact CA-O 3.48Å; V248-L290 HydrophobicContact CG1-CB 4.21Å; V248-V397 HydrophobicContact CG1-CG2 4.34Å; V248-I400 HydrophobicContact CG2-CB 4.22Å; V248-I400 HydrophobicContact CG2-CG2 3.59Å; V248-V401 HydrophobicContact CG2-CG1 3.81Å
249V98.7Very high87.6Confident0 Ų044.2 Ų44.20%026%0.261CS..EExtended strand (participates in β ladder)trans-119.5120.2172.4-176.70000108.5T186 V188 F251 L280 V288 L289 L290T186-V249 HydrophobicContact CG2-CG1 4.45Å; T186-V249 CarbonylContact O-C 3.49Å; T186-V249 WeakPolarHBondContact O-CA 3.26Å; V188-V249 HydrophobicContact CG2-CG1 3.72Å; V249-F251 HydrophobicContact CB-CE2 4.42Å; V249-F251 HydrophobicContact CG1-CD2 4.45Å; V249-F251 HydrophobicContact CG1-CE2 3.83Å; V249-F251 HydrophobicContact CG1-CZ 4.16Å; V249-L280 HydrophobicContact CG1-CD1 4.26Å; V249-V288 PolarHBondContact N-O 2.94Å; V249-L289 HydrophobicContact CB-CD2 3.9Å; V249-L289 HydrophobicContact CG2-CD2 4.3Å; V249-L289 WeakPolarHBondContact O-CA 3.29Å; V249-L290 PolarHBondContact O-N 2.92Å
250I98.8Very high86.4Confident0 Ų049.2 Ų49.20%028%0.281CS..EExtended strand (participates in β ladder)trans-107119.4-171.6-52.6165.7000109V185 T186 V187 V188 I201 V248 T252 L290 V393 V397V185-I250 HydrophobicContact CG1-CD1 3.77Å; V185-I250 HydrophobicContact CG1-CG1 4.43Å; T186-I250 PolarHBondContact O-N 3.4Å; V187-I250 HydrophobicContact CG2-CD1 4.04Å; V188-I250 WeakPolarHBondContact CB-O 3.39Å; V188-I250 PolarHBondContact N-O 2.84Å; I201-I250 HydrophobicContact CD1-CD1 3.56Å; V248-I250 HydrophobicContact CG1-CG1 3.97Å; I250-T252 HydrophobicContact CG2-CG2 3.95Å; I250-L290 CarbonylContact C-O 3.42Å; I250-L290 VanDerWaalsContact CA-O 3.26Å; I250-L290 WeakPolarHBondContact CA-O 3.38Å; I250-L290 HydrophobicContact CG1-CB 4.36Å; I250-L290 HydrophobicContact CG1-CD2 4.38Å; I250-V393 HydrophobicContact CD1-CG1 3.97Å; I250-V393 HydrophobicContact CG2-CG1 3.91Å; I250-V397 HydrophobicContact CD1-CG2 3.57Å; I250-V397 HydrophobicContact CG1-CG2 4.26Å
251F98.4Very high85.9Confident0 Ų049.8 Ų49.80%029%0.288CS..EExtended strand (participates in β ladder)trans-93.9115.8178.1-68-99.7000110.5V188 V249 F273 V277 L280 L289 L290 A292 S293 T303V188-F251 HydrophobicContact CB-CD1 4.41Å; V188-F251 HydrophobicContact CG1-CD1 4.46Å; V188-F251 HydrophobicContact CG2-CD1 4.49Å; V249-F251 HydrophobicContact CB-CE2 4.42Å; V249-F251 HydrophobicContact CG1-CD2 4.45Å; V249-F251 HydrophobicContact CG1-CE2 3.83Å; V249-F251 HydrophobicContact CG1-CZ 4.16Å; F251-F273 HydrophobicContact CB-CE1 4.23Å; F251-F273 HydrophobicContact CB-CZ 3.94Å; F251-F273 AromaticContact CD1-CE1 3.97Å; F251-F273 HydrophobicContact CD1-CE1 3.97Å; F251-F273 HydrophobicContact CD1-CZ 4.04Å; F251-F273 HydrophobicContact CG-CE1 4.18Å; F251-F273 HydrophobicContact CG-CZ 4.27Å; F251-V277 HydrophobicContact CE1-CG2 3.82Å; F251-V277 HydrophobicContact CZ-CG2 4Å; F251-L280 HydrophobicContact CE1-CD1 3.49Å; F251-L280 VanDerWaalsContact CE1-CD1 3.49Å; F251-L280 HydrophobicContact CZ-CB 4.4Å; F251-L280 HydrophobicContact CZ-CD1 3.52Å; F251-L289 HydrophobicContact CE2-CB 4.29Å; F251-L289 HydrophobicContact CE2-CD2 4.19Å; F251-L290 PolarHBondContact N-O 3.02Å; F251-A292 CarbonylContact O-C 3.54Å; F251-A292 WeakPolarHBondContact O-CA 3.21Å; F251-A292 WeakPolarHBondContact O-CB 3.22Å; F251-A292 PolarHBondContact O-N 2.91Å; F251-S293 PolarHBondContact O-N 3.44Å; F251-S293 PolarHBondContact O-OG 2.82Å; F251-T303 HydrophobicContact CE2-CG2 4.48Å
252T96.5Very high85.5Confident11 Ų1154.3 Ų54.37%0.06730%0.299CS..  trans-120.7-2.4177.870.20000113.1V187 V188 G189 L193 G194 I250 A292V187-T252 HydrophobicContact CG1-CG2 4.21Å; V188-T252 PolarHBondContact O-N 3.1Å; V188-T252 PolarHBondContact O-OG1 2.97Å; G189-T252 PolarHBondContact O-OG1 2.64Å; L193-T252 HydrophobicContact CD2-CG2 4.32Å; L193-T252 HydrophobicContact CG-CG2 4.07Å; G194-T252 WeakPolarHBondContact CA-OG1 3.39Å; I250-T252 HydrophobicContact CG2-CG2 3.95Å; T252-A292 HydrophobicContact CG2-CB 4.37Å
253V91.8Very high85.2Confident17 Ų1756 Ų5610%0.10331%0.306CS..  trans-69.1134.3179.5-69.70000111.5V188 G189 L215 M272 F273 L276 S293V188-V253 HydrophobicContact CG1-CG1 4.17Å; V188-V253 PolarHBondContact O-N 3.41Å; G189-V253 VanDerWaalsContact CA-CG1 3.43Å; L215-V253 HydrophobicContact CD1-CG1 4.22Å; V253-M272 HydrophobicContact CB-SD 3.78Å; V253-M272 HydrophobicContact CG2-SD 3.81Å; V253-F273 HydrophobicContact CG2-CE2 3.87Å; V253-F273 HydrophobicContact CG2-CZ 4.47Å; V253-L276 HydrophobicContact CG2-CD1 4.08Å; V253-S293 PolarHBondContact N-OG 3.33Å; V253-S293 VanDerWaalsContact O-CB 3.27Å; V253-S293 WeakPolarHBondContact O-CB 3.37Å; V253-S293 PolarHBondContact O-OG 3.21Å
254N85.7Confident84.9Confident57 Ų5759.9 Ų59.931%0.30533%0.327SS..  trans-142.1134.7173.1-79.6-44.3000108.8S293 Q294N254-S293 WeakPolarHBondContact OD1-CA 3.28Å; N254-S293 VanDerWaalsContact OD1-CB 3.31Å; N254-S293 WeakPolarHBondContact OD1-CB 3.45Å; N254-Q294 PolarHBondContact OD1-N 3Å; N254-Q294 PolarHBondContact OD1-O 3.41Å
255S78.9Confident84.5Confident26 Ų2660.6 Ų60.618%0.18233%0.329CS..  trans-88.3112.8164.5-173.90000108.6G257 S268 N269S255-G257 VanDerWaalsContact C-N 3.27Å; S255-S268 WeakPolarHBondContact CB-OG 3.47Å; S255-S268 PolarHBondContact OG-OG 3.02Å; S255-N269 WeakPolarHBondContact CA-OD1 3.31Å; S255-N269 WeakPolarHBondContact CB-OD1 3.27Å; S255-N269 PolarHBondContact N-OD1 2.83Å; S255-N269 PolarHBondContact O-OD1 2.76Å
256L62.5Low84.3Confident160 Ų16052.7 Ų52.784%0.83829%0.292SS*.  trans-97.334.7172.3-66.9169.8000110.7
257G54.4Low84.1Confident31 Ų3153.7 Ų53.732%0.3230%0.296SS..  trans-47.3156.9-169.800000114.5S255 S259S255-G257 VanDerWaalsContact C-N 3.27Å; G257-S259 PolarHBondContact O-N 3.08Å
258S55.3Low83.8Confident131 Ų13152.6 Ų52.692%0.91630%0.297SS*.SBendtrans-71.728.1-178.760.60000114.3
259S60.1Low83.5Confident59 Ų5952.8 Ų52.841%0.41330%0.298SS..  trans-74.1151.2-176.1-630000111.5G257G257-S259 PolarHBondContact O-N 3.08Å
260Q65.4Low83.3Confident192 Ų19252.8 Ų52.890%0.89730%0.298SS*.SBendtrans-82.8-23.6-175.2-67.4-71.8-8.600113.6
261S85.1Confident83.1Confident45 Ų4556.3 Ų56.332%0.31532%0.316SS..SBendtrans-118.8149.1-177.2890000113.5L263 D264 V265S261-L263 VanDerWaalsContact C-N 3.31Å; S261-L263 PolarHBondContact O-N 3.02Å; S261-D264 WeakPolarHBondContact CB-OD2 3.2Å; S261-D264 PolarHBondContact O-N 3.16Å; S261-D264 PolarHBondContact OG-N 2.92Å; S261-D264 PolarHBondContact OG-OD2 2.67Å; S261-V265 PolarHBondContact O-N 2.69Å
262Y85.9Confident82.8Confident141 Ų14159.3 Ų59.355%0.55333%0.331SS*.Hα-helixtrans-60.2-39.9176179.7-110.9000112.2D264 V265 V266 P295 L464Y262-D264 VanDerWaalsContact C-N 3.33Å; Y262-D264 PolarHBondContact O-N 3.24Å; Y262-V265 PolarHBondContact O-N 2.77Å; Y262-V266 HydrophobicContact CD1-CG2 4.36Å; Y262-V266 HydrophobicContact CE1-CG2 4.02Å; Y262-V266 HydrophobicContact CE2-CG2 4.24Å; Y262-V266 WeakPolarHBondContact O-CG2 3.34Å; Y262-V266 PolarHBondContact O-N 3.32Å; Y262-P295 WeakPolarHBondContact OH-CB 3.41Å; Y262-P295 WeakPolarHBondContact OH-CG 3.45Å; Y262-L464 HydrophobicContact CD1-CD2 4.25Å; Y262-L464 HydrophobicContact CE1-CD2 3.64Å
263L88.8Confident82.9Confident50 Ų5058.8 Ų58.826%0.26233%0.328SS..Hα-helixtrans-60.4-42.1177.7178.664.9000111.6S261 V265 V266 Q267 L464 Q467 L468S261-L263 VanDerWaalsContact C-N 3.31Å; S261-L263 PolarHBondContact O-N 3.02Å; L263-V265 VanDerWaalsContact C-N 3.33Å; L263-V265 PolarHBondContact O-N 2.79Å; L263-V266 PolarHBondContact O-N 3.3Å; L263-Q267 WeakPolarHBondContact O-CB 3.47Å; L263-Q267 PolarHBondContact O-N 3.44Å; L263-L464 HydrophobicContact CD1-CD1 3.52Å; L263-Q467 HydrophobicContact CD1-CB 4.09Å; L263-Q467 HydrophobicContact CD2-CB 4.35Å; L263-L468 HydrophobicContact CD1-CD2 3.83Å
264D89Confident83.1Confident81 Ų8162.3 Ų62.343%0.43334%0.34SS..Hα-helixtrans-66.7-35.9179.4-62.5-38.8000112S261 Y262 Q267 S268S261-D264 WeakPolarHBondContact CB-OD2 3.2Å; S261-D264 PolarHBondContact O-N 3.16Å; S261-D264 PolarHBondContact OG-N 2.92Å; S261-D264 PolarHBondContact OG-OD2 2.67Å; Y262-D264 VanDerWaalsContact C-N 3.33Å; Y262-D264 PolarHBondContact O-N 3.24Å; D264-Q267 PolarHBondContact O-N 3.41Å; D264-S268 WeakPolarHBondContact O-CB 3.24Å; D264-S268 PolarHBondContact O-N 3.2Å
265V88.6Confident83.4Confident35 Ų3563.1 Ų63.121%0.21235%0.354CS..Hα-helixtrans-64.1-46.2174.6175.70000110.2S261 Y262 L263 S268 N269S261-V265 PolarHBondContact O-N 2.69Å; Y262-V265 PolarHBondContact O-N 2.77Å; L263-V265 VanDerWaalsContact C-N 3.33Å; L263-V265 PolarHBondContact O-N 2.79Å; V265-S268 PolarHBondContact O-N 3.13Å; V265-N269 PolarHBondContact O-N 3.02Å
266V91.6Very high84.2Confident0 Ų062.7 Ų62.70%035%0.349CS..Hα-helixtrans-63.1-44176.11800000110.7Y262 L263 S268 N269 V270 P295 I298 L468Y262-V266 HydrophobicContact CD1-CG2 4.36Å; Y262-V266 HydrophobicContact CE1-CG2 4.02Å; Y262-V266 HydrophobicContact CE2-CG2 4.24Å; Y262-V266 WeakPolarHBondContact O-CG2 3.34Å; Y262-V266 PolarHBondContact O-N 3.32Å; L263-V266 PolarHBondContact O-N 3.3Å; V266-S268 VanDerWaalsContact C-N 3.33Å; V266-S268 PolarHBondContact O-N 3.06Å; V266-N269 WeakPolarHBondContact O-CB 3.42Å; V266-N269 PolarHBondContact O-N 2.92Å; V266-N269 VanDerWaalsContact O-N 3.1Å; V266-V270 WeakPolarHBondContact O-CG2 3.5Å; V266-V270 PolarHBondContact O-N 2.96Å; V266-P295 HydrophobicContact CG1-CG 4.4Å; V266-P295 HydrophobicContact CG2-CG 3.83Å; V266-I298 HydrophobicContact CG1-CG2 3.95Å; V266-L468 HydrophobicContact CB-CD2 4.29Å; V266-L468 HydrophobicContact CG1-CD1 3.93Å; V266-L468 HydrophobicContact CG1-CD2 3.76Å; V266-L468 HydrophobicContact CG1-CG 4.5Å
267Q93.6Very high85.9Confident28 Ų2855 Ų5513%0.13131%0.309CS..Hα-helixtrans-62-38.9178.1-173.662.160.400112.2L263 D264 N269 V270 D271 L468 K469L263-Q267 WeakPolarHBondContact O-CB 3.47Å; L263-Q267 PolarHBondContact O-N 3.44Å; D264-Q267 PolarHBondContact O-N 3.41Å; Q267-N269 VanDerWaalsContact C-N 3.29Å; Q267-N269 PolarHBondContact O-N 2.83Å; Q267-V270 WeakPolarHBondContact O-CB 3.38Å; Q267-V270 PolarHBondContact O-N 2.91Å; Q267-V270 VanDerWaalsContact O-N 3.12Å; Q267-D271 PolarHBondContact NE2-OD1 2.85Å; Q267-D271 VanDerWaalsContact O-CG 3.26Å; Q267-D271 PolarHBondContact O-N 3.28Å; Q267-L468 HydrophobicContact CB-CD2 4.41Å; Q267-K469 PolarHBondContact NE2-O 2.86Å
268S91.9Very high87.9Confident41 Ų4156.5 Ų56.529%0.28731%0.313SS..Hα-helixtrans-60-39.7173.8-178.80000111.9S255 D264 V265 V266 D271 M272S255-S268 WeakPolarHBondContact CB-OG 3.47Å; S255-S268 PolarHBondContact OG-OG 3.02Å; D264-S268 WeakPolarHBondContact O-CB 3.24Å; D264-S268 PolarHBondContact O-N 3.2Å; V265-S268 PolarHBondContact O-N 3.13Å; V266-S268 VanDerWaalsContact C-N 3.33Å; V266-S268 PolarHBondContact O-N 3.06Å; S268-D271 PolarHBondContact O-N 3.13Å; S268-M272 PolarHBondContact O-N 3.39Å; S268-M272 VanDerWaalsContact O-N 3.11Å
269N92.5Very high89.9Confident3 Ų351.6 Ų51.62%0.01628%0.281CS..Hα-helixtrans-66.2-40173.2-74.5-19.9000112.1S255 V265 V266 Q267 M272 F273 Q294 M299S255-N269 WeakPolarHBondContact CA-OD1 3.31Å; S255-N269 WeakPolarHBondContact CB-OD1 3.27Å; S255-N269 PolarHBondContact N-OD1 2.83Å; S255-N269 PolarHBondContact O-OD1 2.76Å; V265-N269 PolarHBondContact O-N 3.02Å; V266-N269 WeakPolarHBondContact O-CB 3.42Å; V266-N269 PolarHBondContact O-N 2.92Å; V266-N269 VanDerWaalsContact O-N 3.1Å; Q267-N269 VanDerWaalsContact C-N 3.29Å; Q267-N269 PolarHBondContact O-N 2.83Å; N269-M272 PolarHBondContact O-N 3.43Å; N269-F273 WeakPolarHBondContact O-CB 3.49Å; N269-F273 VanDerWaalsContact O-CD2 3.24Å; N269-F273 WeakPolarHBondContact O-CD2 3.47Å; N269-F273 PolarHBondContact O-N 2.61Å; N269-Q294 PolarHBondContact ND2-O 3Å; N269-Q294 VanDerWaalsContact ND2-O 3.08Å; N269-M299 HydrophobicContact CB-CE 3.76Å; N269-M299 HydrophobicContact CB-SD 3.74Å
270V95.2Very high91.6Very high0 Ų048.8 Ų48.80%026%0.261CS..Hα-helixtrans-60.1-45.8175175.50000111V266 Q267 M272 F273 R274 V302 L468 K469V266-V270 WeakPolarHBondContact O-CG2 3.5Å; V266-V270 PolarHBondContact O-N 2.96Å; Q267-V270 WeakPolarHBondContact O-CB 3.38Å; Q267-V270 PolarHBondContact O-N 2.91Å; Q267-V270 VanDerWaalsContact O-N 3.12Å; V270-M272 VanDerWaalsContact C-N 3.33Å; V270-M272 PolarHBondContact O-N 3.41Å; V270-F273 PolarHBondContact O-N 3.49Å; V270-F273 VanDerWaalsContact O-N 3.15Å; V270-R274 PolarHBondContact O-N 3.17Å; V270-V302 HydrophobicContact CG1-CG1 4.1Å; V270-V302 HydrophobicContact CG2-CG1 4.27Å; V270-V302 HydrophobicContact CG2-CG2 3.83Å; V270-L468 HydrophobicContact CG2-CD1 4.17Å; V270-L468 HydrophobicContact CG2-CD2 4.28Å; V270-K469 WeakPolarHBondContact CG1-O 3.37Å
271D93.9Very high93Very high74 Ų7440 Ų4040%0.39622%0.221SC..Hα-helixtrans-63.8-39.3-179.8-64.5-23.1000111.7Q267 S268 R274 A275Q267-D271 PolarHBondContact NE2-OD1 2.85Å; Q267-D271 VanDerWaalsContact O-CG 3.26Å; Q267-D271 PolarHBondContact O-N 3.28Å; S268-D271 PolarHBondContact O-N 3.13Å; D271-R274 WeakPolarHBondContact O-CB 3.24Å; D271-R274 PolarHBondContact O-N 2.82Å; D271-R274 IonicContact OD1-CZ 3.49Å; D271-R274 IonicContact OD1-NH1 3.1Å; D271-R274 PolarHBondContact OD1-NH1 2.97Å; D271-R274 IonicContact OD1-NH2 2.62Å; D271-R274 PolarHBondContact OD1-NH2 2.76Å; D271-A275 PolarHBondContact O-N 3.17Å
272M93.1Very high93.5Very high63 Ų6343.8 Ų43.831%0.3123%0.234SC..Hα-helixtrans-62.4-45.5171.9-176.1-172-6600111.6V253 S268 N269 V270 R274 A275 L276V253-M272 HydrophobicContact CB-SD 3.78Å; V253-M272 HydrophobicContact CG2-SD 3.81Å; S268-M272 PolarHBondContact O-N 3.39Å; S268-M272 VanDerWaalsContact O-N 3.11Å; N269-M272 PolarHBondContact O-N 3.43Å; V270-M272 VanDerWaalsContact C-N 3.33Å; V270-M272 PolarHBondContact O-N 3.41Å; M272-R274 VanDerWaalsContact C-N 3.29Å; M272-R274 PolarHBondContact O-N 3.23Å; M272-A275 PolarHBondContact O-N 3.29Å; M272-L276 HydrophobicContact CG-CD1 3.94Å; M272-L276 WeakPolarHBondContact O-CG 3.34Å; M272-L276 PolarHBondContact O-N 3.39Å
273F96.9Very high94.1Very high0 Ų041.1 Ų41.10%022%0.224CC..Hα-helixtrans-65.3-33.6178.8-88.7-125000112.1F251 V253 N269 V270 A275 L276 V277 S293 M299 V302 T303 L306F251-F273 HydrophobicContact CB-CE1 4.23Å; F251-F273 HydrophobicContact CB-CZ 3.94Å; F251-F273 AromaticContact CD1-CE1 3.97Å; F251-F273 HydrophobicContact CD1-CE1 3.97Å; F251-F273 HydrophobicContact CD1-CZ 4.04Å; F251-F273 HydrophobicContact CG-CE1 4.18Å; F251-F273 HydrophobicContact CG-CZ 4.27Å; V253-F273 HydrophobicContact CG2-CE2 3.87Å; V253-F273 HydrophobicContact CG2-CZ 4.47Å; N269-F273 WeakPolarHBondContact O-CB 3.49Å; N269-F273 VanDerWaalsContact O-CD2 3.24Å; N269-F273 WeakPolarHBondContact O-CD2 3.47Å; N269-F273 PolarHBondContact O-N 2.61Å; V270-F273 PolarHBondContact O-N 3.49Å; V270-F273 VanDerWaalsContact O-N 3.15Å; F273-A275 PolarHBondContact O-N 3.01Å; F273-L276 PolarHBondContact O-N 3.18Å; F273-L276 VanDerWaalsContact O-N 3.13Å; F273-V277 HydrophobicContact CB-CG2 4.04Å; F273-V277 HydrophobicContact CD1-CG2 3.62Å; F273-V277 HydrophobicContact CE1-CG2 4.42Å; F273-V277 HydrophobicContact CG-CG2 4.12Å; F273-V277 WeakPolarHBondContact O-CB 3.26Å; F273-V277 WeakPolarHBondContact O-CG2 3.34Å; F273-V277 PolarHBondContact O-N 3.4Å; F273-S293 WeakPolarHBondContact CZ-OG 3.5Å; F273-M299 HydrophobicContact CB-CE 4.1Å; F273-M299 HydrophobicContact CD1-CE 3.64Å; F273-M299 HydrophobicContact CD2-CE 3.33Å; F273-M299 HydrophobicContact CE1-CB 4.46Å; F273-M299 HydrophobicContact CE1-CE 3.83Å; F273-M299 HydrophobicContact CE2-CE 3.52Å; F273-M299 HydrophobicContact CG-CE 3.4Å; F273-M299 HydrophobicContact CZ-CE 3.78Å; F273-V302 HydrophobicContact CB-CG1 4.17Å; F273-T303 VanDerWaalsContact CD1-OG1 3.27Å; F273-T303 WeakPolarHBondContact CD1-OG1 3.44Å; F273-T303 WeakPolarHBondContact CE1-OG1 3.47Å; F273-L306 HydrophobicContact CB-CD1 4Å
274R96Very high94.5Very high92 Ų9238.9 Ų38.935%0.34721%0.212SC..Hα-helixtrans-58.8-35.7174.8-167-175.6-61.8113.47.9112.2V270 D271 M272 P278 L306 K469 L470V270-R274 PolarHBondContact O-N 3.17Å; D271-R274 WeakPolarHBondContact O-CB 3.24Å; D271-R274 PolarHBondContact O-N 2.82Å; D271-R274 IonicContact OD1-CZ 3.49Å; D271-R274 IonicContact OD1-NH1 3.1Å; D271-R274 PolarHBondContact OD1-NH1 2.97Å; D271-R274 IonicContact OD1-NH2 2.62Å; D271-R274 PolarHBondContact OD1-NH2 2.76Å; M272-R274 VanDerWaalsContact C-N 3.29Å; M272-R274 PolarHBondContact O-N 3.23Å; R274-P278 VanDerWaalsContact O-CD 3.31Å; R274-P278 WeakPolarHBondContact O-CD 3.38Å; R274-L306 HydrophobicContact CB-CD1 4.38Å; R274-L306 HydrophobicContact CB-CD2 4.45Å; R274-L306 HydrophobicContact CG-CD2 4.16Å; R274-K469 PolarHBondContact NH2-O 2.83Å; R274-L470 VanDerWaalsContact CZ-OXT 3.22Å; R274-L470 PolarHBondContact NE-OXT 2.87Å; R274-L470 VanDerWaalsContact NH2-C 3.33Å; R274-L470 PolarHBondContact NH2-OXT 3.24Å
275A92.4Very high94.8Very high73 Ų7339.9 Ų39.960%0.60321%0.214SC*.Hα-helixtrans-76.9-30.7176.700000113.2D271 M272 F273D271-A275 PolarHBondContact O-N 3.17Å; M272-A275 PolarHBondContact O-N 3.29Å; F273-A275 PolarHBondContact O-N 3.01Å
276L95.7Very high95.1Very high17 Ų1745.7 Ų45.79%0.08924%0.239CC..Hα-helixtrans-97.8-47.6-170.1-63.6175.4000114.3V188 L215 L240 V253 M272 F273 A279 L280V188-L276 HydrophobicContact CG1-CD1 4.43Å; L215-L276 HydrophobicContact CD1-CD1 3.46Å; L215-L276 VanDerWaalsContact CD1-CD1 3.46Å; L215-L276 HydrophobicContact CD1-CD2 3.48Å; L215-L276 VanDerWaalsContact CD1-CD2 3.48Å; L215-L276 HydrophobicContact CD1-CG 4.11Å; L215-L276 HydrophobicContact CD2-CD2 4.37Å; L240-L276 HydrophobicContact CD1-CD2 4.29Å; L240-L276 HydrophobicContact CD2-CD2 4.11Å; V253-L276 HydrophobicContact CG2-CD1 4.08Å; M272-L276 HydrophobicContact CG-CD1 3.94Å; M272-L276 WeakPolarHBondContact O-CG 3.34Å; M272-L276 PolarHBondContact O-N 3.39Å; F273-L276 PolarHBondContact O-N 3.18Å; F273-L276 VanDerWaalsContact O-N 3.13Å; L276-A279 PolarHBondContact O-N 3.46Å; L276-L280 HydrophobicContact CB-CD1 4.34Å; L276-L280 WeakPolarHBondContact O-CG 3.4Å; L276-L280 PolarHBondContact O-N 3.2Å
277V97.9Very high95.3Very high0 Ų045.7 Ų45.70%024%0.239CC..Hα-helixtrans-61.3-46.3-169.2173.80000112.5F251 F273 A279 L280 G281 T303 L306F251-V277 HydrophobicContact CE1-CG2 3.82Å; F251-V277 HydrophobicContact CZ-CG2 4Å; F273-V277 HydrophobicContact CB-CG2 4.04Å; F273-V277 HydrophobicContact CD1-CG2 3.62Å; F273-V277 HydrophobicContact CE1-CG2 4.42Å; F273-V277 HydrophobicContact CG-CG2 4.12Å; F273-V277 WeakPolarHBondContact O-CB 3.26Å; F273-V277 WeakPolarHBondContact O-CG2 3.34Å; F273-V277 PolarHBondContact O-N 3.4Å; V277-A279 VanDerWaalsContact C-N 3.34Å; V277-A279 PolarHBondContact O-N 3.42Å; V277-L280 PolarHBondContact O-N 3.32Å; V277-G281 PolarHBondContact O-N 3.44Å; V277-T303 HydrophobicContact CG1-CG2 3.93Å; V277-T303 HydrophobicContact CG2-CG2 4.05Å; V277-L306 HydrophobicContact CB-CB 3.99Å; V277-L306 HydrophobicContact CB-CD1 4.4Å; V277-L306 HydrophobicContact CG1-CB 3.79Å
278P97.6Very high95.6Very high62 Ų6244.4 Ų44.440%0.40323%0.233SC..Hα-helixtrans-61.8-40.7179.5-24.235.7000113R274 H282R274-P278 VanDerWaalsContact O-CD 3.31Å; R274-P278 WeakPolarHBondContact O-CD 3.38Å; P278-H282 WeakPolarHBondContact O-CB 3.42Å; P278-H282 PolarHBondContact O-N 2.85Å
279A96.4Very high95.9Very high28 Ų2842.5 Ų42.523%0.23122%0.219CC..Hα-helixtrans-67-46.6179.300000111.8L240 L276 V277 G281 H282 Y283L240-A279 HydrophobicContact CD1-CB 3.76Å; L276-A279 PolarHBondContact O-N 3.46Å; V277-A279 VanDerWaalsContact C-N 3.34Å; V277-A279 PolarHBondContact O-N 3.42Å; A279-G281 VanDerWaalsContact C-N 3.35Å; A279-G281 PolarHBondContact O-N 3.39Å; A279-H282 WeakPolarHBondContact O-CB 3.47Å; A279-H282 PolarHBondContact O-N 3.41Å; A279-Y283 WeakPolarHBondContact O-CD2 3.37Å; A279-Y283 PolarHBondContact O-N 2.93Å
280L96.8Very high96.2Very high0 Ų042.3 Ų42.30%022%0.218CC..Hα-helixtrans-65.7-38.4177.6-68.3170.2000112.1V188 L213 L240 S243 V249 F251 L276 V277 H282 Y283 S284V188-L280 HydrophobicContact CG1-CD1 4.26Å; V188-L280 HydrophobicContact CG2-CD1 3.68Å; L213-L280 HydrophobicContact CD1-CD2 3.69Å; L240-L280 HydrophobicContact CD2-CD2 4.25Å; S243-L280 WeakPolarHBondContact OG-CD2 3.46Å; V249-L280 HydrophobicContact CG1-CD1 4.26Å; F251-L280 HydrophobicContact CE1-CD1 3.49Å; F251-L280 VanDerWaalsContact CE1-CD1 3.49Å; F251-L280 HydrophobicContact CZ-CB 4.4Å; F251-L280 HydrophobicContact CZ-CD1 3.52Å; L276-L280 HydrophobicContact CB-CD1 4.34Å; L276-L280 WeakPolarHBondContact O-CG 3.4Å; L276-L280 PolarHBondContact O-N 3.2Å; V277-L280 PolarHBondContact O-N 3.32Å; L280-H282 VanDerWaalsContact C-N 3.32Å; L280-H282 PolarHBondContact O-N 3.15Å; L280-Y283 PolarHBondContact O-N 3.43Å; L280-S284 PolarHBondContact O-N 3.37Å
281G94.7Very high96.4Very high6 Ų642.3 Ų42.36%0.06222%0.218CC..Hα-helixtrans-61.9-38.717200000112.4V277 A279 S284 Q285V277-G281 PolarHBondContact O-N 3.44Å; A279-G281 VanDerWaalsContact C-N 3.35Å; A279-G281 PolarHBondContact O-N 3.39Å; G281-S284 CarbonylContact O-C 3.6Å; G281-Q285 VanDerWaalsContact O-CA 3.23Å; G281-Q285 WeakPolarHBondContact O-CA 3.48Å; G281-Q285 WeakPolarHBondContact O-CG 3.5Å; G281-Q285 PolarHBondContact O-N 2.71Å; G281-Q285 VanDerWaalsContact O-N 3.08Å
282H96.1Very high96.5Very high125 Ų12538.9 Ų38.958%0.57920%0.2SC*.Hα-helixtrans-66.3-46175.7179.677.5000112.8P278 A279 L280 S284 Q285P278-H282 WeakPolarHBondContact O-CB 3.42Å; P278-H282 PolarHBondContact O-N 2.85Å; A279-H282 WeakPolarHBondContact O-CB 3.47Å; A279-H282 PolarHBondContact O-N 3.41Å; L280-H282 VanDerWaalsContact C-N 3.32Å; L280-H282 PolarHBondContact O-N 3.15Å; H282-S284 VanDerWaalsContact C-N 3.3Å; H282-S284 PolarHBondContact O-N 2.91Å; H282-Q285 VanDerWaalsContact O-CG 3.32Å; H282-Q285 WeakPolarHBondContact O-CG 3.37Å; H282-Q285 PolarHBondContact O-NE2 2.71Å
283Y96.9Very high96.6Very high86 Ų8635.9 Ų35.934%0.33719%0.185SC..Hα-helixtrans-69.7-27.1178.4-72.3-57.2000113L240 A244 H245 A279 L280L240-Y283 HydrophobicContact CB-CD2 4.27Å; L240-Y283 HydrophobicContact CB-CE2 3.95Å; A244-Y283 WeakPolarHBondContact CA-O 3.41Å; A244-Y283 HydrophobicContact CB-CD1 4.4Å; H245-Y283 PolarHBondContact N-O 3.34Å; A279-Y283 WeakPolarHBondContact O-CD2 3.37Å; A279-Y283 PolarHBondContact O-N 2.93Å; L280-Y283 PolarHBondContact O-N 3.43Å
284S96.8Very high96.4Very high2 Ų239.1 Ų39.11%0.01420%0.2CC..THydrogen-bonded Turntrans-133.961.1-176.7-66.30000112.9S243 H245 S246 L280 G281 H282 H286 S287 F309S243-S284 PolarHBondContact O-OG 2.96Å; H245-S284 PolarHBondContact N-OG 3.13Å; S246-S284 PolarHBondContact N-OG 3.35Å; L280-S284 PolarHBondContact O-N 3.37Å; G281-S284 CarbonylContact O-C 3.6Å; H282-S284 VanDerWaalsContact C-N 3.3Å; H282-S284 PolarHBondContact O-N 2.91Å; S284-H286 PolarHBondContact O-N 3.01Å; S284-S287 WeakPolarHBondContact O-CB 3.48Å; S284-S287 PolarHBondContact O-N 3.46Å; S284-S287 PolarHBondContact O-OG 3.37Å; S284-F309 WeakPolarHBondContact O-CZ 3.39Å
285Q95.6Very high96.3Very high103 Ų10335.6 Ų35.648%0.48119%0.189SC..THydrogen-bonded Turntrans-58-22.6-174.7-59.1174.26.500115.2G281 H282 F309 R313G281-Q285 VanDerWaalsContact O-CA 3.23Å; G281-Q285 WeakPolarHBondContact O-CA 3.48Å; G281-Q285 WeakPolarHBondContact O-CG 3.5Å; G281-Q285 PolarHBondContact O-N 2.71Å; G281-Q285 VanDerWaalsContact O-N 3.08Å; H282-Q285 VanDerWaalsContact O-CG 3.32Å; H282-Q285 WeakPolarHBondContact O-CG 3.37Å; H282-Q285 PolarHBondContact O-NE2 2.71Å; Q285-F309 WeakPolarHBondContact O-CZ 3.26Å; Q285-R313 PolarHBondContact O-NH1 3.39Å; Q285-R313 PolarHBondContact O-NH2 3.32Å
286H94.8Very high96.4Very high157 Ų15732.1 Ų32.173%0.72716%0.161SC*.THydrogen-bonded Turntrans-102.42-177.6-61.893.9000113.8S284 R313S284-H286 PolarHBondContact O-N 3.01Å; H286-R313 VanDerWaalsContact CA-NH1 3.31Å
287S97.6Very high96.5Very high0 Ų031.5 Ų31.50%016%0.157CC..PPolyproline II helixtrans-74.5160.3-175.462.60000113.6S246 K247 S284 L289 F309S246-S287 VanDerWaalsContact O-CB 3.25Å; S246-S287 WeakPolarHBondContact O-CB 3.47Å; K247-S287 WeakPolarHBondContact O-CA 3.42Å; S284-S287 WeakPolarHBondContact O-CB 3.48Å; S284-S287 PolarHBondContact O-N 3.46Å; S284-S287 PolarHBondContact O-OG 3.37Å; S287-L289 WeakPolarHBondContact OG-CD2 3.28Å; S287-F309 WeakPolarHBondContact O-CE2 3.36Å
288V98.6Very high96.4Very high1 Ų131.7 Ų31.71%0.00616%0.158CC..EExtended strand (participates in β ladder)trans-91.1127158.5179.80000108.4K247 V248 V249 R313 I315 I400K247-V288 PolarHBondContact O-N 2.89Å; V248-V288 VanDerWaalsContact CA-O 3.32Å; V248-V288 WeakPolarHBondContact CA-O 3.48Å; V249-V288 PolarHBondContact N-O 2.94Å; V288-R313 CarbonylContact C-O 3.57Å; V288-R313 WeakPolarHBondContact CA-O 3.17Å; V288-I315 HydrophobicContact CG1-CD1 3.69Å; V288-I315 HydrophobicContact CG1-CG1 4.17Å; V288-I400 HydrophobicContact CB-CG2 4.2Å; V288-I400 HydrophobicContact CG1-CD1 4.06Å; V288-I400 HydrophobicContact CG2-CG2 3.9Å
289L98.8Very high96.4Very high0 Ų028.8 Ų28.80%014%0.139CC..EExtended strand (participates in β ladder)trans-91.5118.4175.4-51.7-176.4000108.5V249 F251 S287 I291 T303 F309 R313 V314 I315V249-L289 HydrophobicContact CB-CD2 3.9Å; V249-L289 HydrophobicContact CG2-CD2 4.3Å; V249-L289 WeakPolarHBondContact O-CA 3.29Å; F251-L289 HydrophobicContact CE2-CB 4.29Å; F251-L289 HydrophobicContact CE2-CD2 4.19Å; S287-L289 WeakPolarHBondContact OG-CD2 3.28Å; L289-I291 HydrophobicContact CB-CD1 4.18Å; L289-I291 WeakPolarHBondContact O-CD1 3.28Å; L289-T303 HydrophobicContact CB-CG2 4.24Å; L289-T303 HydrophobicContact CD1-CG2 3.69Å; L289-F309 HydrophobicContact CD1-CD2 3.95Å; L289-F309 HydrophobicContact CD1-CE2 4.16Å; L289-F309 HydrophobicContact CD1-CG 4.42Å; L289-F309 HydrophobicContact CD2-CE2 4.12Å; L289-F309 HydrophobicContact CG-CD2 3.95Å; L289-F309 HydrophobicContact CG-CE2 3.98Å; L289-R313 PolarHBondContact N-O 3.14Å; L289-V314 HydrophobicContact CD1-CG2 4.31Å; L289-I315 PolarHBondContact O-N 3.12Å
290L98.8Very high96.5Very high0 Ų027.4 Ų27.40%013%0.128CC..EExtended strand (participates in β ladder)trans-111.4112.8-179.4-177.960.7000110.4V248 V249 I250 F251 I315 I317 V393 M396 V397V248-L290 HydrophobicContact CG1-CB 4.21Å; V249-L290 PolarHBondContact O-N 2.92Å; I250-L290 CarbonylContact C-O 3.42Å; I250-L290 VanDerWaalsContact CA-O 3.26Å; I250-L290 WeakPolarHBondContact CA-O 3.38Å; I250-L290 HydrophobicContact CG1-CB 4.36Å; I250-L290 HydrophobicContact CG1-CD2 4.38Å; F251-L290 PolarHBondContact N-O 3.02Å; L290-I315 CarbonylContact C-O 3.56Å; L290-I315 VanDerWaalsContact CA-O 3.27Å; L290-I315 WeakPolarHBondContact CA-O 3.48Å; L290-I315 HydrophobicContact CD1-CB 4.28Å; L290-I315 HydrophobicContact CD1-CG2 4.24Å; L290-I317 HydrophobicContact CD1-CG2 4.27Å; L290-I317 HydrophobicContact CG-CG2 4.48Å; L290-V393 HydrophobicContact CD2-CG1 3.97Å; L290-M396 HydrophobicContact CD1-CE 4.41Å; L290-M396 HydrophobicContact CD1-SD 4.37Å; L290-M396 HydrophobicContact CD2-CB 4.31Å; L290-V397 HydrophobicContact CD2-CG2 3.97Å
291I98.6Very high96.6Very high0 Ų028.9 Ų28.90%013%0.134CC..EExtended strand (participates in β ladder)trans-99.5115.3-171.7-6372.4000109.5L289 V296 M299 T300 T303 V314 I315 G316 I317L289-I291 HydrophobicContact CB-CD1 4.18Å; L289-I291 WeakPolarHBondContact O-CD1 3.28Å; I291-V296 HydrophobicContact CG2-CG2 4.43Å; I291-V296 WeakPolarHBondContact O-CG2 3.38Å; I291-M299 HydrophobicContact CG2-CB 3.84Å; I291-T300 HydrophobicContact CD1-CG2 4.31Å; I291-T303 HydrophobicContact CD1-CG2 3.88Å; I291-T303 HydrophobicContact CG1-CG2 4.14Å; I291-T303 WeakPolarHBondContact CG1-OG1 3.38Å; I291-V314 HydrophobicContact CD1-CG1 3.78Å; I291-I315 WeakPolarHBondContact CD1-O 3.47Å; I291-I315 PolarHBondContact N-O 3.1Å; I291-G316 CarbonylContact O-C 3.6Å; I291-G316 WeakPolarHBondContact O-CA 3.09Å; I291-I317 WeakPolarHBondContact O-CG2 3.45Å; I291-I317 PolarHBondContact O-N 3.4Å
292A97.3Very high96.7Very high1 Ų128.6 Ų28.61%0.00813%0.131CC..  trans-107.8-8.6171.800000113.1L193 F251 T252 I317 V393L193-A292 HydrophobicContact CD2-CB 4.07Å; F251-A292 CarbonylContact O-C 3.54Å; F251-A292 WeakPolarHBondContact O-CA 3.21Å; F251-A292 WeakPolarHBondContact O-CB 3.22Å; F251-A292 PolarHBondContact O-N 2.91Å; T252-A292 HydrophobicContact CG2-CB 4.37Å; A292-I317 HydrophobicContact CB-CD1 4.02Å; A292-I317 HydrophobicContact CB-CG1 4.46Å; A292-I317 HydrophobicContact CB-CG2 3.76Å; A292-V393 HydrophobicContact CB-CG2 4.41Å
293S95.4Very high96.9Very high0 Ų022.7 Ų22.70%010%0.104CC..SBendtrans-62.2149172-58.40000112F251 V253 N254 F273 V296F251-S293 PolarHBondContact O-N 3.44Å; F251-S293 PolarHBondContact O-OG 2.82Å; V253-S293 PolarHBondContact N-OG 3.33Å; V253-S293 VanDerWaalsContact O-CB 3.27Å; V253-S293 WeakPolarHBondContact O-CB 3.37Å; V253-S293 PolarHBondContact O-OG 3.21Å; N254-S293 WeakPolarHBondContact OD1-CA 3.28Å; N254-S293 VanDerWaalsContact OD1-CB 3.31Å; N254-S293 WeakPolarHBondContact OD1-CB 3.45Å; F273-S293 WeakPolarHBondContact CZ-OG 3.5Å; S293-V296 VanDerWaalsContact O-CA 3.26Å; S293-V296 WeakPolarHBondContact O-CA 3.46Å
294Q91.4Very high96.9Very high68 Ų6820.3 Ų20.332%0.3189%0.094SC..SBendtrans-115148.9-172.3-67.4-67.5-17.800111.1N254 N269N254-Q294 PolarHBondContact OD1-N 3Å; N254-Q294 PolarHBondContact OD1-O 3.41Å; N269-Q294 PolarHBondContact ND2-O 3Å; N269-Q294 VanDerWaalsContact ND2-O 3.08Å
295P93.8Very high97Very high18 Ų1824 Ų2412%0.11711%0.11CC..SBendcis-70.3124.9-627.3-33000112.2Y262 V266 E297 I298 M299Y262-P295 WeakPolarHBondContact OH-CB 3.41Å; Y262-P295 WeakPolarHBondContact OH-CG 3.45Å; V266-P295 HydrophobicContact CG1-CG 4.4Å; V266-P295 HydrophobicContact CG2-CG 3.83Å; P295-E297 PolarHBondContact O-N 3.5Å; P295-I298 HydrophobicContact CG-CB 4.15Å; P295-I298 HydrophobicContact CG-CD1 3.91Å; P295-I298 HydrophobicContact CG-CG1 4.41Å; P295-I298 PolarHBondContact O-N 2.95Å; P295-M299 WeakPolarHBondContact O-CG 3.39Å; P295-M299 PolarHBondContact O-N 3.43Å
296V95.7Very high97.1Very high0 Ų020.7 Ų20.70%010%0.095CC..Hα-helixtrans-62.7-38.7-161.768.30000113.9I291 S293 I298 M299 T300 I317 Q349I291-V296 HydrophobicContact CG2-CG2 4.43Å; I291-V296 WeakPolarHBondContact O-CG2 3.38Å; S293-V296 VanDerWaalsContact O-CA 3.26Å; S293-V296 WeakPolarHBondContact O-CA 3.46Å; V296-I298 PolarHBondContact O-N 2.96Å; V296-M299 PolarHBondContact O-N 3.36Å; V296-T300 VanDerWaalsContact O-CB 3.27Å; V296-T300 WeakPolarHBondContact O-CB 3.4Å; V296-T300 PolarHBondContact O-N 3.12Å; V296-T300 PolarHBondContact O-OG1 3.22Å; V296-I317 HydrophobicContact CG2-CG1 3.95Å; V296-Q349 HydrophobicContact CG1-CB 3.98Å
297E96.1Very high97.2Very high4 Ų414 Ų142%0.0197%0.066CC..Hα-helixtrans-61.9-46.7-179.4-69.672.2-155.900111P295 T300 Y301 Q349 F425 L426 I461P295-E297 PolarHBondContact O-N 3.5Å; E297-T300 PolarHBondContact O-N 3.11Å; E297-Y301 PolarHBondContact O-N 3.3Å; E297-Q349 WeakPolarHBondContact OE1-CB 3.42Å; E297-Q349 PolarHBondContact OE1-N 3.35Å; E297-F425 VanDerWaalsContact CB-O 3.26Å; E297-F425 WeakPolarHBondContact CB-O 3.41Å; E297-F425 WeakPolarHBondContact CG-O 3.35Å; E297-L426 HydrophobicContact CG-CD2 4.38Å; E297-I461 HydrophobicContact CB-CD1 3.97Å; E297-I461 HydrophobicContact CG-CD1 4Å
298I96.6Very high97.1Very high5 Ų518.3 Ų18.33%0.02610%0.102CC..Hα-helixtrans-70.8-44.8-179.6-62.4172.8000110.2V266 P295 V296 T300 Y301 V302 I461 L464 L468V266-I298 HydrophobicContact CG1-CG2 3.95Å; P295-I298 HydrophobicContact CG-CB 4.15Å; P295-I298 HydrophobicContact CG-CD1 3.91Å; P295-I298 HydrophobicContact CG-CG1 4.41Å; P295-I298 PolarHBondContact O-N 2.95Å; V296-I298 PolarHBondContact O-N 2.96Å; I298-T300 PolarHBondContact O-N 3.39Å; I298-Y301 WeakPolarHBondContact O-CB 3.44Å; I298-Y301 PolarHBondContact O-N 3.21Å; I298-V302 HydrophobicContact CG2-CG2 4.21Å; I298-V302 WeakPolarHBondContact O-CB 3.44Å; I298-V302 WeakPolarHBondContact O-CG2 3.2Å; I298-V302 PolarHBondContact O-N 2.8Å; I298-I461 HydrophobicContact CG1-CG2 4.07Å; I298-L464 HydrophobicContact CD1-CB 4.3Å; I298-L464 HydrophobicContact CD1-CD2 3.33Å; I298-L464 HydrophobicContact CD1-CG 3.83Å; I298-L468 HydrophobicContact CG2-CD1 3.47Å; I298-L468 VanDerWaalsContact CG2-CD1 3.47Å
299M97.8Very high97.1Very high0 Ų019 Ų190%011%0.105CC..Hα-helixtrans-66.1-30.1179.5-63.4-45.2-59.400112N269 F273 I291 P295 V296 T303N269-M299 HydrophobicContact CB-CE 3.76Å; N269-M299 HydrophobicContact CB-SD 3.74Å; F273-M299 HydrophobicContact CB-CE 4.1Å; F273-M299 HydrophobicContact CD1-CE 3.64Å; F273-M299 HydrophobicContact CD2-CE 3.33Å; F273-M299 HydrophobicContact CE1-CB 4.46Å; F273-M299 HydrophobicContact CE1-CE 3.83Å; F273-M299 HydrophobicContact CE2-CE 3.52Å; F273-M299 HydrophobicContact CG-CE 3.4Å; F273-M299 HydrophobicContact CZ-CE 3.78Å; I291-M299 HydrophobicContact CG2-CB 3.84Å; P295-M299 WeakPolarHBondContact O-CG 3.39Å; P295-M299 PolarHBondContact O-N 3.43Å; V296-M299 PolarHBondContact O-N 3.36Å; M299-T303 WeakPolarHBondContact O-CB 3.45Å; M299-T303 PolarHBondContact O-N 2.81Å; M299-T303 PolarHBondContact O-OG1 2.71Å
300T98.4Very high97Very high0 Ų022 Ų220%012%0.124CC..Hα-helixtrans-68.6-45.5172.4-53.80000111.1I291 V296 E297 I298 V302 T303 W304 V314 G316 F425I291-T300 HydrophobicContact CD1-CG2 4.31Å; V296-T300 VanDerWaalsContact O-CB 3.27Å; V296-T300 WeakPolarHBondContact O-CB 3.4Å; V296-T300 PolarHBondContact O-N 3.12Å; V296-T300 PolarHBondContact O-OG1 3.22Å; E297-T300 PolarHBondContact O-N 3.11Å; I298-T300 PolarHBondContact O-N 3.39Å; T300-V302 PolarHBondContact O-N 2.65Å; T300-T303 PolarHBondContact O-N 3.22Å; T300-W304 WeakPolarHBondContact O-CB 3.48Å; T300-W304 PolarHBondContact O-N 2.97Å; T300-V314 HydrophobicContact CG2-CG1 4.01Å; T300-G316 VanDerWaalsContact OG1-CA 3.24Å; T300-G316 WeakPolarHBondContact OG1-CA 3.32Å; T300-F425 HydrophobicContact CG2-CD1 3.32Å; T300-F425 HydrophobicContact CG2-CE1 3.63Å; T300-F425 HydrophobicContact CG2-CG 4.05Å
301Y98.4Very high96.9Very high31 Ų3123 Ų2312%0.12213%0.132CC..Hα-helixtrans-58.3-47.4173.4170-95.2000112.3E297 I298 T303 W304 K305 E423 F425 Q465 L470E297-Y301 PolarHBondContact O-N 3.3Å; I298-Y301 WeakPolarHBondContact O-CB 3.44Å; I298-Y301 PolarHBondContact O-N 3.21Å; Y301-T303 VanDerWaalsContact C-N 3.34Å; Y301-T303 PolarHBondContact O-N 2.83Å; Y301-W304 HydrophobicContact CD2-CE3 4.05Å; Y301-W304 HydrophobicContact CD2-CZ3 4.29Å; Y301-W304 HydrophobicContact CE2-CE3 4.24Å; Y301-W304 HydrophobicContact CE2-CZ3 4.13Å; Y301-W304 WeakPolarHBondContact O-CB 3.5Å; Y301-W304 PolarHBondContact O-N 3.45Å; Y301-W304 VanDerWaalsContact O-N 3.16Å; Y301-K305 HydrophobicContact CD1-CG 4.41Å; Y301-K305 HydrophobicContact CD2-CG 4.46Å; Y301-K305 HydrophobicContact CE1-CG 3.94Å; Y301-K305 HydrophobicContact CE2-CD 4.29Å; Y301-K305 HydrophobicContact CE2-CG 4Å; Y301-K305 VanDerWaalsContact CZ-CE 3.46Å; Y301-K305 WeakPolarHBondContact O-CG 3.47Å; Y301-K305 PolarHBondContact O-N 3.46Å; Y301-K305 VanDerWaalsContact OH-CE 3.23Å; Y301-K305 WeakPolarHBondContact OH-CE 3.4Å; Y301-E423 WeakPolarHBondContact CD2-O 3.1Å; Y301-E423 HydrophobicContact CE2-CB 4.23Å; Y301-E423 VanDerWaalsContact CE2-O 3.32Å; Y301-E423 WeakPolarHBondContact CE2-O 3.13Å; Y301-F425 HydrophobicContact CD2-CD2 4.25Å; Y301-F425 HydrophobicContact CD2-CE2 4.25Å; Y301-Q465 HydrophobicContact CD1-CG 4.06Å; Y301-Q465 HydrophobicContact CE1-CB 4.49Å; Y301-Q465 HydrophobicContact CE1-CG 4.24Å; Y301-Q465 VanDerWaalsContact CG-NE2 3.34Å; Y301-L470 HydrophobicContact CD1-CD2 4.42Å; Y301-L470 HydrophobicContact CE1-CD1 4.01Å; Y301-L470 HydrophobicContact CE1-CD2 3.94Å
302V98.2Very high96.9Very high0 Ų026 Ų260%015%0.148CC..Hα-helixtrans-60.9-45.2178.5168.90000110.4V270 F273 I298 T300 W304 K305 L306 L470V270-V302 HydrophobicContact CG1-CG1 4.1Å; V270-V302 HydrophobicContact CG2-CG1 4.27Å; V270-V302 HydrophobicContact CG2-CG2 3.83Å; F273-V302 HydrophobicContact CB-CG1 4.17Å; I298-V302 HydrophobicContact CG2-CG2 4.21Å; I298-V302 WeakPolarHBondContact O-CB 3.44Å; I298-V302 WeakPolarHBondContact O-CG2 3.2Å; I298-V302 PolarHBondContact O-N 2.8Å; T300-V302 PolarHBondContact O-N 2.65Å; V302-W304 VanDerWaalsContact C-N 3.3Å; V302-W304 PolarHBondContact O-N 2.87Å; V302-K305 PolarHBondContact O-N 2.88Å; V302-L306 HydrophobicContact CG1-CD1 3.57Å; V302-L306 HydrophobicContact CG1-CG 4.27Å; V302-L306 WeakPolarHBondContact O-CB 3.26Å; V302-L306 VanDerWaalsContact O-CG 3.27Å; V302-L306 WeakPolarHBondContact O-CG 3.39Å; V302-L306 PolarHBondContact O-N 3.29Å; V302-L470 HydrophobicContact CB-CD2 4.47Å; V302-L470 HydrophobicContact CG2-CD2 4.14Å
303T98.6Very high97Very high0 Ų028 Ų280%016%0.156CC..Hα-helixtrans-60.5-41175.6-56.50000111.6F251 F273 V277 L289 I291 M299 T300 Y301 S307 V314F251-T303 HydrophobicContact CE2-CG2 4.48Å; F273-T303 VanDerWaalsContact CD1-OG1 3.27Å; F273-T303 WeakPolarHBondContact CD1-OG1 3.44Å; F273-T303 WeakPolarHBondContact CE1-OG1 3.47Å; V277-T303 HydrophobicContact CG1-CG2 3.93Å; V277-T303 HydrophobicContact CG2-CG2 4.05Å; L289-T303 HydrophobicContact CB-CG2 4.24Å; L289-T303 HydrophobicContact CD1-CG2 3.69Å; I291-T303 HydrophobicContact CD1-CG2 3.88Å; I291-T303 HydrophobicContact CG1-CG2 4.14Å; I291-T303 WeakPolarHBondContact CG1-OG1 3.38Å; M299-T303 WeakPolarHBondContact O-CB 3.45Å; M299-T303 PolarHBondContact O-N 2.81Å; M299-T303 PolarHBondContact O-OG1 2.71Å; T300-T303 PolarHBondContact O-N 3.22Å; Y301-T303 VanDerWaalsContact C-N 3.34Å; Y301-T303 PolarHBondContact O-N 2.83Å; T303-S307 WeakPolarHBondContact O-CB 3.36Å; T303-S307 PolarHBondContact O-N 2.99Å; T303-S307 PolarHBondContact O-OG 2.64Å; T303-V314 HydrophobicContact CG2-CG1 3.98Å
304W98.5Very high97.1Very high37 Ų3728 Ų2814%0.1416%0.156CC..Hα-helixtrans-62.6-47.2177.617355.5000111.8T300 Y301 V302 S307 A308 F309 V314 E423 F425T300-W304 WeakPolarHBondContact O-CB 3.48Å; T300-W304 PolarHBondContact O-N 2.97Å; Y301-W304 HydrophobicContact CD2-CE3 4.05Å; Y301-W304 HydrophobicContact CD2-CZ3 4.29Å; Y301-W304 HydrophobicContact CE2-CE3 4.24Å; Y301-W304 HydrophobicContact CE2-CZ3 4.13Å; Y301-W304 WeakPolarHBondContact O-CB 3.5Å; Y301-W304 PolarHBondContact O-N 3.45Å; Y301-W304 VanDerWaalsContact O-N 3.16Å; V302-W304 VanDerWaalsContact C-N 3.3Å; V302-W304 PolarHBondContact O-N 2.87Å; W304-S307 PolarHBondContact O-OG 3.33Å; W304-A308 PolarHBondContact O-N 3.08Å; W304-F309 PolarHBondContact NE1-O 2.81Å; W304-F309 VanDerWaalsContact NE1-O 3.09Å; W304-V314 HydrophobicContact CB-CB 4.2Å; W304-V314 HydrophobicContact CB-CG1 3.98Å; W304-V314 HydrophobicContact CB-CG2 4.34Å; W304-E423 HydrophobicContact CZ3-CB 4.32Å; W304-F425 HydrophobicContact CB-CE2 4.2Å; W304-F425 HydrophobicContact CB-CZ 3.81Å; W304-F425 HydrophobicContact CD2-CE2 4.06Å; W304-F425 AromaticContact CD2-CZ 3.99Å; W304-F425 HydrophobicContact CD2-CZ 3.99Å; W304-F425 AromaticContact CE3-CE2 3.68Å; W304-F425 HydrophobicContact CE3-CE2 3.68Å; W304-F425 HydrophobicContact CE3-CZ 4.1Å; W304-F425 HydrophobicContact CG-CE2 4.29Å; W304-F425 AromaticContact CG-CZ 3.86Å; W304-F425 HydrophobicContact CG-CZ 3.86Å; W304-F425 HydrophobicContact CZ3-CE2 4.36Å
305K97.9Very high97.4Very high79 Ų7924.8 Ų24.834%0.34314%0.141SC..Hα-helixtrans-64.3-42.9177.7-66.9-56.6-171.5-173.80112.9Y301 V302 E423 L470Y301-K305 HydrophobicContact CD1-CG 4.41Å; Y301-K305 HydrophobicContact CD2-CG 4.46Å; Y301-K305 HydrophobicContact CE1-CG 3.94Å; Y301-K305 HydrophobicContact CE2-CD 4.29Å; Y301-K305 HydrophobicContact CE2-CG 4Å; Y301-K305 VanDerWaalsContact CZ-CE 3.46Å; Y301-K305 WeakPolarHBondContact O-CG 3.47Å; Y301-K305 PolarHBondContact O-N 3.46Å; Y301-K305 VanDerWaalsContact OH-CE 3.23Å; Y301-K305 WeakPolarHBondContact OH-CE 3.4Å; V302-K305 PolarHBondContact O-N 2.88Å; K305-E423 IonicContact NZ-OE2 3.29Å; K305-E423 PolarHBondContact NZ-OE2 3.23Å; K305-L470 HydrophobicContact CB-CD2 3.67Å; K305-L470 HydrophobicContact CG-CD2 3.95Å
306L97.8Very high97.7Very high34 Ų3423.9 Ų23.918%0.17814%0.135CC..Hα-helixtrans-75.6-31.7-177.5-68.2172.8000113.7F273 R274 V277 V302F273-L306 HydrophobicContact CB-CD1 4Å; R274-L306 HydrophobicContact CB-CD1 4.38Å; R274-L306 HydrophobicContact CB-CD2 4.45Å; R274-L306 HydrophobicContact CG-CD2 4.16Å; V277-L306 HydrophobicContact CB-CB 3.99Å; V277-L306 HydrophobicContact CB-CD1 4.4Å; V277-L306 HydrophobicContact CG1-CB 3.79Å; V302-L306 HydrophobicContact CG1-CD1 3.57Å; V302-L306 HydrophobicContact CG1-CG 4.27Å; V302-L306 WeakPolarHBondContact O-CB 3.26Å; V302-L306 VanDerWaalsContact O-CG 3.27Å; V302-L306 WeakPolarHBondContact O-CG 3.39Å; V302-L306 PolarHBondContact O-N 3.29Å
307S97.1Very high97.8Very high15 Ų1524.3 Ų24.311%0.10514%0.137CC..Hα-helixtrans-80.7-22.8-179.559.70000113.4T303 W304 F309T303-S307 WeakPolarHBondContact O-CB 3.36Å; T303-S307 PolarHBondContact O-N 2.99Å; T303-S307 PolarHBondContact O-OG 2.64Å; W304-S307 PolarHBondContact O-OG 3.33Å; S307-F309 VanDerWaalsContact O-CD1 3.29Å; S307-F309 WeakPolarHBondContact O-CD1 3.44Å; S307-F309 PolarHBondContact O-N 3.43Å; S307-F309 VanDerWaalsContact O-N 3.16Å; S307-F309 PolarHBondContact OG-N 2.8Å
308A95.4Very high97.7Very high91 Ų9124.2 Ų24.275%0.75214%0.138SC*.THydrogen-bonded Turntrans54.223.5-167.300000113.6W304W304-A308 PolarHBondContact O-N 3.08Å
309F97.9Very high97.7Very high17 Ų1724 Ų248%0.07514%0.137CC..  trans-76.1155.4176.1-83.425.7000110.9S284 Q285 S287 L289 W304 S307 R313 V314S284-F309 WeakPolarHBondContact O-CZ 3.39Å; Q285-F309 WeakPolarHBondContact O-CZ 3.26Å; S287-F309 WeakPolarHBondContact O-CE2 3.36Å; L289-F309 HydrophobicContact CD1-CD2 3.95Å; L289-F309 HydrophobicContact CD1-CE2 4.16Å; L289-F309 HydrophobicContact CD1-CG 4.42Å; L289-F309 HydrophobicContact CD2-CE2 4.12Å; L289-F309 HydrophobicContact CG-CD2 3.95Å; L289-F309 HydrophobicContact CG-CE2 3.98Å; W304-F309 PolarHBondContact NE1-O 2.81Å; W304-F309 VanDerWaalsContact NE1-O 3.09Å; S307-F309 VanDerWaalsContact O-CD1 3.29Å; S307-F309 WeakPolarHBondContact O-CD1 3.44Å; S307-F309 PolarHBondContact O-N 3.43Å; S307-F309 VanDerWaalsContact O-N 3.16Å; S307-F309 PolarHBondContact OG-N 2.8Å; F309-R313 HydrophobicContact CD2-CB 4.3Å; F309-V314 HydrophobicContact CB-CG2 3.74Å
310P98Very high97.6Very high62 Ų6224.1 Ų24.140%0.40314%0.137SC..  trans-62.5142.2168.331-36.6000109.6N312 R313P310-N312 VanDerWaalsContact CB-OD1 3.28Å; P310-N312 WeakPolarHBondContact CB-OD1 3.47Å; P310-N312 WeakPolarHBondContact CG-OD1 3.34Å; P310-N312 PolarHBondContact O-N 2.88Å; P310-N312 VanDerWaalsContact O-N 3.09Å; P310-R313 HydrophobicContact CG-CB 4.39Å; P310-R313 HydrophobicContact CG-CG 4.15Å; P310-R313 VanDerWaalsContact CG-NE 3.32Å; P310-R313 PolarHBondContact O-N 3.17Å
311A97.1Very high97.4Very high21 Ų2125 Ų2517%0.17414%0.141CC..G310 helixtrans-57.7-30.2-17100000113.4R313 V314 L413A311-R313 PolarHBondContact O-N 3.39Å; A311-V314 PolarHBondContact O-N 2.91Å; A311-L413 HydrophobicContact CB-CB 4.21Å; A311-L413 HydrophobicContact CB-CD2 4.12Å
312N97.6Very high97.2Very high63 Ų6323.5 Ų23.534%0.33714%0.136SC..G310 helixtrans-64-23177.667.4-29.6000114.1P310 S435 G436 V437P310-N312 VanDerWaalsContact CB-OD1 3.28Å; P310-N312 WeakPolarHBondContact CB-OD1 3.47Å; P310-N312 WeakPolarHBondContact CG-OD1 3.34Å; P310-N312 PolarHBondContact O-N 2.88Å; P310-N312 VanDerWaalsContact O-N 3.09Å; N312-S435 PolarHBondContact ND2-O 3.23Å; N312-G436 CarbonylContact O-C 3.59Å; N312-G436 WeakPolarHBondContact O-CA 3.38Å; N312-V437 HydrophobicContact CB-CB 4.37Å; N312-V437 WeakPolarHBondContact CB-O 3.36Å; N312-V437 PolarHBondContact O-N 3.14Å
313R98.4Very high97Very high43 Ų4323.5 Ų23.516%0.16214%0.136CC..G310 helixtrans-95.94.5178.3-65.9-168.4-53.2170.810.3113.7Q285 H286 V288 L289 F309 P310 A311 S435Q285-R313 PolarHBondContact O-NH1 3.39Å; Q285-R313 PolarHBondContact O-NH2 3.32Å; H286-R313 VanDerWaalsContact CA-NH1 3.31Å; V288-R313 CarbonylContact C-O 3.57Å; V288-R313 WeakPolarHBondContact CA-O 3.17Å; L289-R313 PolarHBondContact N-O 3.14Å; F309-R313 HydrophobicContact CD2-CB 4.3Å; P310-R313 HydrophobicContact CG-CB 4.39Å; P310-R313 HydrophobicContact CG-CG 4.15Å; P310-R313 VanDerWaalsContact CG-NE 3.32Å; P310-R313 PolarHBondContact O-N 3.17Å; A311-R313 PolarHBondContact O-N 3.39Å; R313-S435 WeakPolarHBondContact CG-O 3.46Å
314V98.7Very high96.8Very high0 Ų026.1 Ų26.10%015%0.148CC..EExtended strand (participates in β ladder)trans-121.4110.6177.7-171.50000108.3L289 I291 T300 T303 W304 F309 A311L289-V314 HydrophobicContact CD1-CG2 4.31Å; I291-V314 HydrophobicContact CD1-CG1 3.78Å; T300-V314 HydrophobicContact CG2-CG1 4.01Å; T303-V314 HydrophobicContact CG2-CG1 3.98Å; W304-V314 HydrophobicContact CB-CB 4.2Å; W304-V314 HydrophobicContact CB-CG1 3.98Å; W304-V314 HydrophobicContact CB-CG2 4.34Å; F309-V314 HydrophobicContact CB-CG2 3.74Å; A311-V314 PolarHBondContact O-N 2.91Å
315I98.6Very high96.5Very high0 Ų025.9 Ų25.90%015%0.147CC..EExtended strand (participates in β ladder)trans-131.9130.1-165.7-50.6178.8000108.8V288 L289 L290 I291 V410 L432 V437V288-I315 HydrophobicContact CG1-CD1 3.69Å; V288-I315 HydrophobicContact CG1-CG1 4.17Å; L289-I315 PolarHBondContact O-N 3.12Å; L290-I315 CarbonylContact C-O 3.56Å; L290-I315 VanDerWaalsContact CA-O 3.27Å; L290-I315 WeakPolarHBondContact CA-O 3.48Å; L290-I315 HydrophobicContact CD1-CB 4.28Å; L290-I315 HydrophobicContact CD1-CG2 4.24Å; I291-I315 WeakPolarHBondContact CD1-O 3.47Å; I291-I315 PolarHBondContact N-O 3.1Å; I315-V410 HydrophobicContact CG2-CB 3.57Å; I315-V410 HydrophobicContact CG2-CG1 4.08Å; I315-V410 HydrophobicContact CG2-CG2 3.65Å; I315-L432 HydrophobicContact CD1-CD2 3.9Å; I315-V437 HydrophobicContact CD1-CG2 3.83Å; I315-V437 HydrophobicContact CG1-CG2 3.99Å
316G98.4Very high96.2Very high0 Ų022.1 Ų22.10%013%0.131CC..EExtended strand (participates in β ladder)trans-94.8152.1169.300000111.9I291 T300 G318 V410 S411I291-G316 CarbonylContact O-C 3.6Å; I291-G316 WeakPolarHBondContact O-CA 3.09Å; T300-G316 VanDerWaalsContact OG1-CA 3.24Å; T300-G316 WeakPolarHBondContact OG1-CA 3.32Å; G316-G318 PolarHBondContact O-N 3.09Å; G316-G318 VanDerWaalsContact O-N 3.14Å; G316-V410 WeakPolarHBondContact O-CB 3.25Å; G316-S411 PolarHBondContact N-O 2.98Å; G316-S411 PolarHBondContact O-N 3.26Å
317I97.6Very high96Very high8 Ų822.7 Ų22.74%0.04113%0.132CC..  trans-60.2-25.3178.263169.3000113.3L290 I291 A292 V296 C319 N320 V389 V393 M396L290-I317 HydrophobicContact CD1-CG2 4.27Å; L290-I317 HydrophobicContact CG-CG2 4.48Å; I291-I317 WeakPolarHBondContact O-CG2 3.45Å; I291-I317 PolarHBondContact O-N 3.4Å; A292-I317 HydrophobicContact CB-CD1 4.02Å; A292-I317 HydrophobicContact CB-CG1 4.46Å; A292-I317 HydrophobicContact CB-CG2 3.76Å; V296-I317 HydrophobicContact CG2-CG1 3.95Å; I317-C319 PolarHBondContact O-N 3.47Å; I317-N320 VanDerWaalsContact O-CB 3.31Å; I317-N320 WeakPolarHBondContact O-CB 3.42Å; I317-N320 PolarHBondContact O-N 2.85Å; I317-V389 HydrophobicContact CD1-CG1 3.69Å; I317-V393 HydrophobicContact CG2-CG2 3.73Å; I317-M396 HydrophobicContact CB-CE 3.87Å; I317-M396 HydrophobicContact CG2-CE 3.59Å
318G94.9Very high95.7Very high3 Ų328.4 Ų28.43%0.03115%0.152CC..THydrogen-bonded Turntrans43.8-133.3175.400000113.6G316 N320 Q349G316-G318 PolarHBondContact O-N 3.09Å; G316-G318 VanDerWaalsContact O-N 3.14Å; G318-N320 VanDerWaalsContact C-N 3.34Å; G318-N320 PolarHBondContact O-N 3.39Å; G318-Q349 PolarHBondContact O-OE1 3.38Å
319C95.7Very high95.5Very high1 Ų124.1 Ų24.11%0.00712%0.117CC..THydrogen-bonded Turntrans-93.323.5-178.3-62.70000113I317 D322 S323 V345 S409 S427I317-C319 PolarHBondContact O-N 3.47Å; C319-D322 PolarHBondContact O-N 3.43Å; C319-S323 WeakPolarHBondContact O-CB 3.24Å; C319-S323 PolarHBondContact O-N 3.16Å; C319-S323 PolarHBondContact O-OG 3.49Å; C319-V345 HydrophobicContact CB-CB 4.05Å; C319-V345 HydrophobicContact CB-CG1 3.88Å; C319-V345 WeakPolarHBondContact CB-O 3.42Å; C319-S409 CarbonylContact C-O 3.57Å; C319-S427 WeakPolarHBondContact CB-OG 3.31Å; C319-S427 PolarHBondContact N-OG 2.93Å
320N96.6Very high95.1Very high1 Ų123.3 Ų23.31%0.00511%0.114CC..Hα-helixtrans-63.3-49.9-176.3-177.870000111.5I317 G318 D322 S323 Q324 S392 M396 H408 S409I317-N320 VanDerWaalsContact O-CB 3.31Å; I317-N320 WeakPolarHBondContact O-CB 3.42Å; I317-N320 PolarHBondContact O-N 2.85Å; G318-N320 VanDerWaalsContact C-N 3.34Å; G318-N320 PolarHBondContact O-N 3.39Å; N320-D322 VanDerWaalsContact C-N 3.27Å; N320-D322 PolarHBondContact O-N 2.76Å; N320-S323 PolarHBondContact O-N 2.94Å; N320-Q324 PolarHBondContact ND2-NE2 3.34Å; N320-Q324 WeakPolarHBondContact O-CG 3.44Å; N320-Q324 PolarHBondContact O-N 2.94Å; N320-S392 PolarHBondContact ND2-OG 2.92Å; N320-M396 HydrophobicContact CB-CE 4.36Å; N320-M396 HydrophobicContact CB-SD 3.96Å; N320-H408 WeakPolarHBondContact OD1-CB 3.48Å; N320-H408 PolarHBondContact OD1-ND1 3.11Å; N320-S409 WeakPolarHBondContact CA-O 3.26Å; N320-S409 VanDerWaalsContact CB-O 3.26Å; N320-S409 WeakPolarHBondContact CB-O 3.41Å; N320-S409 PolarHBondContact N-O 3.18Å
321L94.7Very high94.7Very high18 Ų1824 Ų249%0.09412%0.117CC..Hα-helixtrans-60.7-39.7178.3178.158.6000111.3R325 Q384 V389L321-R325 HydrophobicContact CD1-CG 4.23Å; L321-R325 WeakPolarHBondContact O-CB 2.96Å; L321-R325 WeakPolarHBondContact O-CG 3.43Å; L321-R325 PolarHBondContact O-N 3.41Å; L321-Q384 HydrophobicContact CD2-CB 4.41Å; L321-Q384 HydrophobicContact CD2-CG 3.99Å; L321-V389 HydrophobicContact CD2-CG2 3.99Å
322D93.3Very high94.4Very high1 Ų126.9 Ų26.91%0.00513%0.129CC..Hα-helixtrans-68.3-40.8179.3-74.9-28.9000112.1C319 N320 R325 L326 V345 K353 L379 Q384C319-D322 PolarHBondContact O-N 3.43Å; N320-D322 VanDerWaalsContact C-N 3.27Å; N320-D322 PolarHBondContact O-N 2.76Å; D322-R325 PolarHBondContact O-N 3.14Å; D322-L326 VanDerWaalsContact O-CB 3.26Å; D322-L326 WeakPolarHBondContact O-CB 3.36Å; D322-L326 PolarHBondContact O-N 2.72Å; D322-V345 HydrophobicContact CB-CB 4.14Å; D322-V345 HydrophobicContact CB-CG1 4.18Å; D322-V345 HydrophobicContact CB-CG2 4.18Å; D322-K353 IonicContact OD1-NZ 3.95Å; D322-K353 PolarHBondContact OD1-NZ 2.86Å; D322-K353 IonicContact OD2-NZ 2.92Å; D322-K353 PolarHBondContact OD2-NZ 3.37Å; D322-L379 HydrophobicContact CB-CD2 4.34Å; D322-Q384 VanDerWaalsContact CG-NE2 3.33Å; D322-Q384 PolarHBondContact OD1-NE2 2.9Å; D322-Q384 PolarHBondContact OD2-NE2 2.82Å
323S94.5Very high94Very high0 Ų027.7 Ų27.70%014%0.136CC..Hα-helixtrans-62.7-46.8174.3-60.80000111.7C319 N320 R325 L326 Q327 V345 S409C319-S323 WeakPolarHBondContact O-CB 3.24Å; C319-S323 PolarHBondContact O-N 3.16Å; C319-S323 PolarHBondContact O-OG 3.49Å; N320-S323 PolarHBondContact O-N 2.94Å; S323-R325 PolarHBondContact O-N 3.15Å; S323-L326 WeakPolarHBondContact O-CB 3.33Å; S323-L326 PolarHBondContact O-N 3.41Å; S323-Q327 WeakPolarHBondContact O-CB 3.5Å; S323-Q327 VanDerWaalsContact O-CG 3.25Å; S323-Q327 WeakPolarHBondContact O-CG 3.4Å; S323-Q327 PolarHBondContact O-N 3.35Å; S323-V345 PolarHBondContact OG-N 2.97Å; S323-V345 PolarHBondContact OG-O 2.98Å; S323-V345 VanDerWaalsContact OG-O 3.11Å; S323-S409 VanDerWaalsContact OG-CB 3.26Å; S323-S409 WeakPolarHBondContact OG-CB 3.45Å
324Q93.5Very high93.5Very high54 Ų5427.9 Ų27.925%0.25214%0.14SC..Hα-helixtrans-64-40.1177.9-69-171.2400112.2N320 Y328 D395N320-Q324 PolarHBondContact ND2-NE2 3.34Å; N320-Q324 WeakPolarHBondContact O-CG 3.44Å; N320-Q324 PolarHBondContact O-N 2.94Å; Q324-Y328 VanDerWaalsContact O-CB 3.32Å; Q324-Y328 WeakPolarHBondContact O-CB 3.47Å; Q324-Y328 PolarHBondContact O-N 3.35Å; Q324-D395 PolarHBondContact NE2-OD2 2.84Å
325R92.9Very high93.1Very high33 Ų3336.3 Ų36.313%0.12518%0.177CC..Hα-helixtrans-63-43.4174.4-77.4171.2171.5-165.7-5.2111.4L321 D322 S323 Y328 I329 L379 K382 S383 S388L321-R325 HydrophobicContact CD1-CG 4.23Å; L321-R325 WeakPolarHBondContact O-CB 2.96Å; L321-R325 WeakPolarHBondContact O-CG 3.43Å; L321-R325 PolarHBondContact O-N 3.41Å; D322-R325 PolarHBondContact O-N 3.14Å; S323-R325 PolarHBondContact O-N 3.15Å; R325-Y328 PolarHBondContact O-N 2.9Å; R325-I329 WeakPolarHBondContact O-CD1 3.14Å; R325-I329 VanDerWaalsContact O-CG1 3.24Å; R325-I329 WeakPolarHBondContact O-CG1 2.96Å; R325-I329 PolarHBondContact O-N 3.28Å; R325-L379 HydrophobicContact CB-CD1 3.49Å; R325-L379 VanDerWaalsContact CB-CD1 3.49Å; R325-L379 HydrophobicContact CG-CD1 4.43Å; R325-K382 PolarHBondContact NH1-O 3.09Å; R325-K382 VanDerWaalsContact NH1-O 3.14Å; R325-S383 PolarHBondContact NH1-O 2.99Å; R325-S383 PolarHBondContact NH2-O 3.11Å; R325-S388 PolarHBondContact NH2-OG 2.85Å
326L92.5Very high92.4Very high0 Ų037.7 Ų37.70%019%0.188CC..Hα-helixtrans-63.4-50.3179.3-179.669.4000111.3D322 S323 Y328 I329 I330 V343 V345 L355 A375 M376 L379D322-L326 VanDerWaalsContact O-CB 3.26Å; D322-L326 WeakPolarHBondContact O-CB 3.36Å; D322-L326 PolarHBondContact O-N 2.72Å; S323-L326 WeakPolarHBondContact O-CB 3.33Å; S323-L326 PolarHBondContact O-N 3.41Å; L326-Y328 VanDerWaalsContact C-N 3.3Å; L326-Y328 PolarHBondContact O-N 3.04Å; L326-I329 WeakPolarHBondContact O-CB 3.37Å; L326-I329 PolarHBondContact O-N 3.08Å; L326-I329 VanDerWaalsContact O-N 3.1Å; L326-I330 HydrophobicContact CG-CD1 4.48Å; L326-I330 WeakPolarHBondContact O-CG1 3.34Å; L326-I330 PolarHBondContact O-N 3.47Å; L326-V343 HydrophobicContact CD2-CB 4.26Å; L326-V343 HydrophobicContact CD2-CG1 3.66Å; L326-V343 HydrophobicContact CD2-CG2 3.62Å; L326-V343 HydrophobicContact CG-CG1 3.82Å; L326-V343 HydrophobicContact CG-CG2 4.5Å; L326-V345 HydrophobicContact CB-CG2 4.28Å; L326-V345 HydrophobicContact CD2-CG2 3.64Å; L326-L355 HydrophobicContact CD1-CD1 4.04Å; L326-L355 HydrophobicContact CD2-CD1 3.36Å; L326-L355 HydrophobicContact CD2-CG 3.97Å; L326-L355 HydrophobicContact CG-CD1 4.31Å; L326-A375 HydrophobicContact CD1-CB 3.6Å; L326-M376 HydrophobicContact CD1-SD 4.27Å; L326-L379 HydrophobicContact CB-CD2 4.36Å
327Q92.1Very high91.4Very high45 Ų4546.1 Ų46.121%0.2123%0.227CC..Hα-helixtrans-56.8-45.2175.5-69.9167.9-0.500110.8S323 I329 I330 T331 V343S323-Q327 WeakPolarHBondContact O-CB 3.5Å; S323-Q327 VanDerWaalsContact O-CG 3.25Å; S323-Q327 WeakPolarHBondContact O-CG 3.4Å; S323-Q327 PolarHBondContact O-N 3.35Å; Q327-I329 PolarHBondContact O-N 3.4Å; Q327-I330 PolarHBondContact O-N 3.19Å; Q327-T331 WeakPolarHBondContact O-CB 3.49Å; Q327-T331 PolarHBondContact O-N 3.25Å; Q327-T331 PolarHBondContact O-OG1 3.27Å; Q327-T331 VanDerWaalsContact O-OG1 3.1Å; Q327-V343 HydrophobicContact CG-CG1 3.87Å; Q327-V343 WeakPolarHBondContact CG-O 3.24Å; Q327-V343 PolarHBondContact NE2-O 3.03Å
328Y91.4Very high89.9Confident135 Ų13547.4 Ų47.453%0.52924%0.236SC..Hα-helixtrans-60.1-42.6175.4-178.2-86.6000112.7Q324 R325 L326 N332 V333Q324-Y328 VanDerWaalsContact O-CB 3.32Å; Q324-Y328 WeakPolarHBondContact O-CB 3.47Å; Q324-Y328 PolarHBondContact O-N 3.35Å; R325-Y328 PolarHBondContact O-N 2.9Å; L326-Y328 VanDerWaalsContact C-N 3.3Å; L326-Y328 PolarHBondContact O-N 3.04Å; Y328-N332 HydrophobicContact CD1-CB 4.35Å; Y328-N332 HydrophobicContact CD2-CB 4.29Å; Y328-N332 WeakPolarHBondContact CD2-ND2 3.22Å; Y328-N332 HydrophobicContact CE1-CB 4.01Å; Y328-N332 HydrophobicContact CE2-CB 3.94Å; Y328-N332 WeakPolarHBondContact CE2-ND2 3.43Å; Y328-N332 HydrophobicContact CG-CB 4.48Å; Y328-N332 WeakPolarHBondContact O-CA 3.5Å; Y328-N332 VanDerWaalsContact O-CB 3.31Å; Y328-N332 WeakPolarHBondContact O-CB 3.38Å; Y328-N332 PolarHBondContact O-N 3.18Å; Y328-N332 PolarHBondContact O-ND2 3.42Å; Y328-V333 HydrophobicContact CD1-CG2 4.37Å; Y328-V333 HydrophobicContact CE1-CG2 4.14Å
329I90.8Very high88.6Confident1 Ų150.3 Ų50.31%0.00526%0.256CS..Iπ-helixtrans-61.1-48.5177.9-73.6161.8000110.2R325 L326 Q327 V333 L334 A375 L378 L379R325-I329 WeakPolarHBondContact O-CD1 3.14Å; R325-I329 VanDerWaalsContact O-CG1 3.24Å; R325-I329 WeakPolarHBondContact O-CG1 2.96Å; R325-I329 PolarHBondContact O-N 3.28Å; L326-I329 WeakPolarHBondContact O-CB 3.37Å; L326-I329 PolarHBondContact O-N 3.08Å; L326-I329 VanDerWaalsContact O-N 3.1Å; Q327-I329 PolarHBondContact O-N 3.4Å; I329-V333 HydrophobicContact CG1-CG2 4.42Å; I329-V333 HydrophobicContact CG2-CB 4.35Å; I329-V333 CarbonylContact O-C 3.55Å; I329-V333 WeakPolarHBondContact O-CA 3.27Å; I329-V333 VanDerWaalsContact O-CB 3.28Å; I329-V333 WeakPolarHBondContact O-CB 3.32Å; I329-V333 PolarHBondContact O-N 3.28Å; I329-L334 HydrophobicContact CG2-CD1 4.2Å; I329-L334 HydrophobicContact CG2-CG 4.19Å; I329-L334 PolarHBondContact O-N 3.29Å; I329-A375 HydrophobicContact CG2-CB 4.01Å; I329-L378 HydrophobicContact CD1-CB 4.02Å; I329-L378 HydrophobicContact CG2-CB 4.24Å; I329-L378 HydrophobicContact CG2-CD1 3.72Å; I329-L379 HydrophobicContact CD1-CB 4.27Å; I329-L379 HydrophobicContact CD1-CD1 4.49Å
330I90.2Very high87.4Confident1 Ų153.8 Ų53.81%0.00529%0.292CS..Iπ-helixtrans-62.4-49-178.9-65.6-175.2000110.8L326 Q327 K335 A336 T338 V343 W357 L371 A375L326-I330 HydrophobicContact CG-CD1 4.48Å; L326-I330 WeakPolarHBondContact O-CG1 3.34Å; L326-I330 PolarHBondContact O-N 3.47Å; Q327-I330 PolarHBondContact O-N 3.19Å; I330-K335 PolarHBondContact O-N 3.43Å; I330-A336 HydrophobicContact CG2-CB 3.95Å; I330-A336 PolarHBondContact O-N 2.64Å; I330-T338 HydrophobicContact CG2-CG2 3.42Å; I330-T338 VanDerWaalsContact CG2-CG2 3.42Å; I330-V343 HydrophobicContact CD1-CB 4.33Å; I330-V343 HydrophobicContact CD1-CG1 3.66Å; I330-W357 HydrophobicContact CD1-CH2 3.84Å; I330-W357 HydrophobicContact CD1-CZ2 4.22Å; I330-L371 HydrophobicContact CD1-CD2 4.5Å; I330-L371 HydrophobicContact CD1-CG 4.41Å; I330-L371 HydrophobicContact CG2-CD1 4.45Å; I330-L371 HydrophobicContact CG2-CD2 4.04Å; I330-A375 HydrophobicContact CD1-CB 4.29Å; I330-A375 HydrophobicContact CG1-CB 3.82Å
331T89.5Confident86.5Confident76 Ų7655 Ų5547%0.46630%0.297SS..Iπ-helixtrans-74.3-43.3-175.1-540000113.2Q327 K335Q327-T331 WeakPolarHBondContact O-CB 3.49Å; Q327-T331 PolarHBondContact O-N 3.25Å; Q327-T331 PolarHBondContact O-OG1 3.27Å; Q327-T331 VanDerWaalsContact O-OG1 3.1Å; T331-K335 WeakPolarHBondContact O-CA 3.37Å
332N89.8Confident86Confident81 Ų8158.5 Ų58.543%0.43331%0.313SS..Iπ-helixtrans-104.9-35.6-168.7-62.5-76000113.7Y328Y328-N332 HydrophobicContact CD1-CB 4.35Å; Y328-N332 HydrophobicContact CD2-CB 4.29Å; Y328-N332 WeakPolarHBondContact CD2-ND2 3.22Å; Y328-N332 HydrophobicContact CE1-CB 4.01Å; Y328-N332 HydrophobicContact CE2-CB 3.94Å; Y328-N332 WeakPolarHBondContact CE2-ND2 3.43Å; Y328-N332 HydrophobicContact CG-CB 4.48Å; Y328-N332 WeakPolarHBondContact O-CA 3.5Å; Y328-N332 VanDerWaalsContact O-CB 3.31Å; Y328-N332 WeakPolarHBondContact O-CB 3.38Å; Y328-N332 PolarHBondContact O-N 3.18Å; Y328-N332 PolarHBondContact O-ND2 3.42Å
333V89.8Confident85.9Confident80 Ų8058.7 Ų58.749%0.48531%0.314SS..Iπ-helixtrans-86.6-49.9-177.9-178.70000110.4Y328 I329 L378Y328-V333 HydrophobicContact CD1-CG2 4.37Å; Y328-V333 HydrophobicContact CE1-CG2 4.14Å; I329-V333 HydrophobicContact CG1-CG2 4.42Å; I329-V333 HydrophobicContact CG2-CB 4.35Å; I329-V333 CarbonylContact O-C 3.55Å; I329-V333 WeakPolarHBondContact O-CA 3.27Å; I329-V333 VanDerWaalsContact O-CB 3.28Å; I329-V333 WeakPolarHBondContact O-CB 3.32Å; I329-V333 PolarHBondContact O-N 3.28Å; V333-L378 HydrophobicContact CG1-CD1 4.23Å
334L88.4Confident85.8Confident47 Ų4759 Ų5925%0.24632%0.315CS..SBendtrans-85.5-15.7179.2-58.6-179000112.4I329 A336 L371 A375 L378I329-L334 HydrophobicContact CG2-CD1 4.2Å; I329-L334 HydrophobicContact CG2-CG 4.19Å; I329-L334 PolarHBondContact O-N 3.29Å; L334-A336 PolarHBondContact O-N 3.35Å; L334-A336 VanDerWaalsContact O-N 3.15Å; L334-L371 HydrophobicContact CB-CD1 4.44Å; L334-L371 HydrophobicContact CD1-CD1 3.59Å; L334-A375 HydrophobicContact CD1-CB 4.09Å; L334-L378 HydrophobicContact CD2-CD1 4.23Å
335K89.1Confident85.8Confident177 Ų17756.4 Ų56.477%0.7730%0.303SS*.  trans50.835.6-178-60.7-177.3178.5-179.80112.4I330 T331I330-K335 PolarHBondContact O-N 3.43Å; T331-K335 WeakPolarHBondContact O-CA 3.37Å
336A84.2Confident85.8Confident29 Ų2954.9 Ų54.924%0.2430%0.297CS..  trans-81.8138.2-178.700000110.2I330 L334 T338 L371I330-A336 HydrophobicContact CG2-CB 3.95Å; I330-A336 PolarHBondContact O-N 2.64Å; L334-A336 PolarHBondContact O-N 3.35Å; L334-A336 VanDerWaalsContact O-N 3.15Å; A336-T338 PolarHBondContact O-N 3.39Å; A336-L371 HydrophobicContact CB-CD1 3.88Å; A336-L371 HydrophobicContact CB-CD2 4.06Å
337Q77.5Confident85.8Confident177 Ų17754.9 Ų54.983%0.82730%0.297SS*.  trans-83.7113.9174.3-169.5168.20.500108.9
338T66.4Low85.9Confident36 Ų3655.9 Ų55.922%0.22130%0.302CS..  trans-95.72.2-17555.80000114.2I330 A336 G340 K341 W357I330-T338 HydrophobicContact CG2-CG2 3.42Å; I330-T338 VanDerWaalsContact CG2-CG2 3.42Å; A336-T338 PolarHBondContact O-N 3.39Å; T338-G340 VanDerWaalsContact C-N 3.31Å; T338-G340 PolarHBondContact O-N 3.46Å; T338-G340 VanDerWaalsContact O-N 3.11Å; T338-K341 WeakPolarHBondContact CB-O 3.48Å; T338-K341 WeakPolarHBondContact O-CB 3.4Å; T338-K341 PolarHBondContact O-N 3.22Å; T338-W357 HydrophobicContact CG2-CZ3 4.39Å
339S67.3Low85.6Confident63 Ų6350.7 Ų50.744%0.44128%0.283SS..THydrogen-bonded Turntrans3953.5174.3-53.50000114.2K341 E361S339-K341 PolarHBondContact O-N 3.43Å; S339-K341 VanDerWaalsContact O-N 3.11Å; S339-E361 VanDerWaalsContact CB-OE2 3.28Å; S339-E361 WeakPolarHBondContact CB-OE2 3.3Å; S339-E361 VanDerWaalsContact O-OE2 3.05Å
340G71.5Confident85.1Confident75 Ų7552.4 Ų52.477%0.77330%0.3SS*.THydrogen-bonded Turntrans73.7-2.5177.500000116.2T338T338-G340 VanDerWaalsContact C-N 3.31Å; T338-G340 PolarHBondContact O-N 3.46Å; T338-G340 VanDerWaalsContact O-N 3.11Å
341K76.7Confident84.3Confident26 Ų2660.8 Ų60.811%0.11334%0.34CS..  trans-75.5134.7165.1-68.2-163-178.2-168.50110.3T338 S339 W357 S358 E361 M363 E368T338-K341 WeakPolarHBondContact CB-O 3.48Å; T338-K341 WeakPolarHBondContact O-CB 3.4Å; T338-K341 PolarHBondContact O-N 3.22Å; S339-K341 PolarHBondContact O-N 3.43Å; S339-K341 VanDerWaalsContact O-N 3.11Å; K341-W357 HydrophobicContact CB-CE3 3.83Å; K341-W357 HydrophobicContact CB-CZ3 4.14Å; K341-W357 HydrophobicContact CD-CE3 4.11Å; K341-S358 WeakPolarHBondContact CA-O 3.17Å; K341-E361 WeakPolarHBondContact CE-O 3.36Å; K341-E361 PolarHBondContact NZ-O 3.29Å; K341-M363 HydrophobicContact CD-CE 4.26Å; K341-E368 IonicContact NZ-OE2 2.79Å; K341-E368 PolarHBondContact NZ-OE2 3.08Å
342E85.6Confident83.7Confident92 Ų9261.4 Ų61.443%0.4334%0.34SS..EExtended strand (participates in β ladder)trans-105.9141.8168.4-65.5-171.9125.200109.7W344 W357 S358E342-W344 HydrophobicContact CB-CZ2 4.02Å; E342-W344 WeakPolarHBondContact OE2-CZ2 3.5Å; E342-W357 WeakPolarHBondContact O-CA 3.44Å; E342-S358 PolarHBondContact N-O 2.97Å; E342-S358 PolarHBondContact O-N 3.2Å; E342-S358 PolarHBondContact O-OG 2.82Å
343V89.9Confident83.4Confident5 Ų558.8 Ų58.83%0.0333%0.325CS..EExtended strand (participates in β ladder)trans-106.2141.817771.60000109.6L326 Q327 I330 L355 W357L326-V343 HydrophobicContact CD2-CB 4.26Å; L326-V343 HydrophobicContact CD2-CG1 3.66Å; L326-V343 HydrophobicContact CD2-CG2 3.62Å; L326-V343 HydrophobicContact CG-CG1 3.82Å; L326-V343 HydrophobicContact CG-CG2 4.5Å; Q327-V343 HydrophobicContact CG-CG1 3.87Å; Q327-V343 WeakPolarHBondContact CG-O 3.24Å; Q327-V343 PolarHBondContact NE2-O 3.03Å; I330-V343 HydrophobicContact CD1-CB 4.33Å; I330-V343 HydrophobicContact CD1-CG1 3.66Å; V343-L355 HydrophobicContact CG2-CD1 3.94Å; V343-L355 HydrophobicContact CG2-CD2 3.46Å; V343-L355 VanDerWaalsContact CG2-CD2 3.46Å; V343-L355 HydrophobicContact CG2-CG 3.62Å; V343-W357 HydrophobicContact CB-CD2 3.98Å; V343-W357 HydrophobicContact CB-CE3 3.75Å; V343-W357 HydrophobicContact CB-CH2 4.04Å; V343-W357 HydrophobicContact CB-CZ2 4.2Å; V343-W357 HydrophobicContact CB-CZ3 3.81Å; V343-W357 HydrophobicContact CG2-CD2 3.88Å; V343-W357 HydrophobicContact CG2-CE3 4.19Å; V343-W357 HydrophobicContact CG2-CG 4.4Å; V343-W357 HydrophobicContact CG2-CH2 4.31Å; V343-W357 HydrophobicContact CG2-CZ2 3.96Å; V343-W357 HydrophobicContact CG2-CZ3 4.41Å
344W92.3Very high83.4Confident6 Ų655.3 Ų55.32%0.02330%0.304CS..EExtended strand (participates in β ladder)trans-133.1139.7-178.4-57.399.9000110.4E342 I346 L355 T356 S358 V407 P429E342-W344 HydrophobicContact CB-CZ2 4.02Å; E342-W344 WeakPolarHBondContact OE2-CZ2 3.5Å; W344-I346 HydrophobicContact CB-CG2 4.05Å; W344-L355 CarbonylContact O-C 3.32Å; W344-L355 WeakPolarHBondContact O-CA 3.28Å; W344-T356 HydrophobicContact CB-CG2 4Å; W344-T356 PolarHBondContact N-O 2.92Å; W344-T356 PolarHBondContact O-N 2.65Å; W344-S358 PolarHBondContact NE1-OG 2.97Å; W344-V407 HydrophobicContact CH2-CB 3.74Å; W344-V407 HydrophobicContact CH2-CG1 3.63Å; W344-V407 HydrophobicContact CZ2-CB 3.8Å; W344-V407 HydrophobicContact CZ2-CG1 3.49Å; W344-V407 VanDerWaalsContact CZ2-CG1 3.49Å; W344-V407 HydrophobicContact CZ3-CG1 4.31Å; W344-P429 HydrophobicContact CD2-CB 4.16Å; W344-P429 HydrophobicContact CG-CB 4.1Å
345V93.1Very high83.4Confident0 Ų054.3 Ų54.30%030%0.298CS..EExtended strand (participates in β ladder)trans-90.3125.6162.4-177.50000106.8C319 D322 S323 L326 K353 V354 L379 S409C319-V345 HydrophobicContact CB-CB 4.05Å; C319-V345 HydrophobicContact CB-CG1 3.88Å; C319-V345 WeakPolarHBondContact CB-O 3.42Å; D322-V345 HydrophobicContact CB-CB 4.14Å; D322-V345 HydrophobicContact CB-CG1 4.18Å; D322-V345 HydrophobicContact CB-CG2 4.18Å; S323-V345 PolarHBondContact OG-N 2.97Å; S323-V345 PolarHBondContact OG-O 2.98Å; S323-V345 VanDerWaalsContact OG-O 3.11Å; L326-V345 HydrophobicContact CB-CG2 4.28Å; L326-V345 HydrophobicContact CD2-CG2 3.64Å; V345-K353 HydrophobicContact CG1-CB 3.95Å; V345-K353 HydrophobicContact CG1-CD 4.46Å; V345-K353 HydrophobicContact CG1-CG 4.35Å; V345-V354 CarbonylContact C-O 3.57Å; V345-V354 VanDerWaalsContact CA-O 3.27Å; V345-V354 WeakPolarHBondContact CA-O 3.47Å; V345-L379 HydrophobicContact CG2-CD2 4.07Å; V345-S409 WeakPolarHBondContact O-CB 3.31Å; V345-S409 PolarHBondContact O-OG 2.65Å
346I93.9Very high83.4Confident0 Ų046.3 Ų46.30%026%0.264CS..EExtended strand (participates in β ladder)trans-127.8175.5-175.962.6159.7000110.7W344 V354 T356 S427 V450 L454W344-I346 HydrophobicContact CB-CG2 4.05Å; I346-V354 HydrophobicContact CD1-CG1 4.47Å; I346-V354 HydrophobicContact CG1-CB 4.23Å; I346-V354 HydrophobicContact CG1-CG1 4.04Å; I346-V354 PolarHBondContact N-O 3.43Å; I346-T356 HydrophobicContact CB-CG2 4.47Å; I346-T356 HydrophobicContact CD1-CG2 3.78Å; I346-T356 HydrophobicContact CG1-CG2 3.92Å; I346-T356 HydrophobicContact CG2-CG2 3.72Å; I346-S427 CarbonylContact C-O 3.56Å; I346-S427 VanDerWaalsContact CA-O 3.3Å; I346-S427 WeakPolarHBondContact CA-O 3.28Å; I346-S427 VanDerWaalsContact CB-O 3.23Å; I346-S427 WeakPolarHBondContact CB-O 3.42Å; I346-V450 HydrophobicContact CD1-CG1 4.2Å; I346-L454 HydrophobicContact CD1-CD1 3.81Å; I346-L454 HydrophobicContact CD1-CD2 4.36Å
347G93.1Very high83.5Confident0 Ų045.6 Ų45.60%026%0.256CS..BIsolated β-bridgetrans87.3-148.1178.900000113.8S427G347-S427 PolarHBondContact N-O 2.77Å; G347-S427 WeakPolarHBondContact O-CB 3.48Å; G347-S427 PolarHBondContact O-N 3.28Å
348E92.9Very high83.7Confident66 Ų6637.8 Ų37.831%0.30822%0.221SC..SBendtrans-77.2137.2179.7-179.4179.1-177.200111.1G350 L426 S457 I461E348-G350 PolarHBondContact O-N 2.9Å; E348-L426 HydrophobicContact CB-CD2 4.23Å; E348-S457 WeakPolarHBondContact OE2-CB 3.42Å; E348-S457 PolarHBondContact OE2-OG 2.89Å; E348-I461 HydrophobicContact CB-CD1 4.31Å; E348-I461 HydrophobicContact CG-CD1 4.15Å
349Q86.6Confident83.9Confident27 Ų2737.6 Ų37.613%0.12623%0.225CC..SBendtrans-69.5111.5173.3-173.4179.60.800110.4V296 E297 G318V296-Q349 HydrophobicContact CG1-CB 3.98Å; E297-Q349 WeakPolarHBondContact OE1-CB 3.42Å; E297-Q349 PolarHBondContact OE1-N 3.35Å; G318-Q349 PolarHBondContact O-OE1 3.38Å
350G79.3Confident83.5Confident36 Ų3644 Ų4437%0.37125%0.248SC..SBendtrans-179.3-160.8-179.500000114.6E348 K353E348-G350 PolarHBondContact O-N 2.9Å; G350-K353 WeakPolarHBondContact O-CE 3.24Å; G350-K353 WeakPolarHBondContact O-CG 3.45Å
351E73Confident82.9Confident177 Ų17746.2 Ų46.283%0.82724%0.239SC*.SBendtrans-74.6-35.9177.8-64.3-165.4161.500112.5K353E351-K353 PolarHBondContact O-N 3.34Å
352D77.4Confident81.9Confident90 Ų9051.9 Ų51.948%0.48128%0.275SS..SBendtrans-83.866.7177.4-163.417.1000111.8V354 K453D352-V354 PolarHBondContact O-N 3.14Å; D352-K453 IonicContact OD1-NZ 3.48Å; D352-K453 PolarHBondContact OD1-NZ 3.16Å; D352-K453 IonicContact OD2-NZ 2.65Å; D352-K453 PolarHBondContact OD2-NZ 3.38Å
353K84.1Confident80.8Confident25 Ų2549.8 Ų49.811%0.10927%0.266CS..  trans-68.5128.8-179.4-61-175.2-165.7-136.60111D322 V345 G350 E351 M376 L379D322-K353 IonicContact OD1-NZ 3.95Å; D322-K353 PolarHBondContact OD1-NZ 2.86Å; D322-K353 IonicContact OD2-NZ 2.92Å; D322-K353 PolarHBondContact OD2-NZ 3.37Å; V345-K353 HydrophobicContact CG1-CB 3.95Å; V345-K353 HydrophobicContact CG1-CD 4.46Å; V345-K353 HydrophobicContact CG1-CG 4.35Å; G350-K353 WeakPolarHBondContact O-CE 3.24Å; G350-K353 WeakPolarHBondContact O-CG 3.45Å; E351-K353 PolarHBondContact O-N 3.34Å; K353-M376 HydrophobicContact CB-CE 3.41Å; K353-M376 VanDerWaalsContact CB-CE 3.41Å; K353-M376 HydrophobicContact CD-CE 4.23Å; K353-M376 HydrophobicContact CG-CE 4.35Å; K353-L379 HydrophobicContact CD-CD2 3.79Å; K353-L379 HydrophobicContact CD-CG 4.36Å
354V89Confident79.8Confident7 Ų752.6 Ų52.64%0.04229%0.286CS..EExtended strand (participates in β ladder)trans-98.5132.7175.4-1750000109.3V345 I346 D352 V450 K453V345-V354 CarbonylContact C-O 3.57Å; V345-V354 VanDerWaalsContact CA-O 3.27Å; V345-V354 WeakPolarHBondContact CA-O 3.47Å; I346-V354 HydrophobicContact CD1-CG1 4.47Å; I346-V354 HydrophobicContact CG1-CB 4.23Å; I346-V354 HydrophobicContact CG1-CG1 4.04Å; I346-V354 PolarHBondContact N-O 3.43Å; D352-V354 PolarHBondContact O-N 3.14Å; V354-V450 HydrophobicContact CG1-CB 4.23Å; V354-V450 HydrophobicContact CG1-CG1 3.72Å; V354-V450 HydrophobicContact CG1-CG2 4.09Å; V354-K453 HydrophobicContact CG2-CB 3.85Å; V354-K453 HydrophobicContact CG2-CD 3.95Å
355L89.2Confident78.9Confident26 Ų2657.8 Ų57.814%0.13631%0.31CS..EExtended strand (participates in β ladder)trans-115.1141.5-176.5-172.8150.8000109.6L326 V343 W344 M376L326-L355 HydrophobicContact CD1-CD1 4.04Å; L326-L355 HydrophobicContact CD2-CD1 3.36Å; L326-L355 HydrophobicContact CD2-CG 3.97Å; L326-L355 HydrophobicContact CG-CD1 4.31Å; V343-L355 HydrophobicContact CG2-CD1 3.94Å; V343-L355 HydrophobicContact CG2-CD2 3.46Å; V343-L355 VanDerWaalsContact CG2-CD2 3.46Å; V343-L355 HydrophobicContact CG2-CG 3.62Å; W344-L355 CarbonylContact O-C 3.32Å; W344-L355 WeakPolarHBondContact O-CA 3.28Å; L355-M376 HydrophobicContact CD1-CG 3.67Å; L355-M376 HydrophobicContact CD1-SD 3.74Å
356T88.4Confident78Confident9 Ų962 Ų626%0.05534%0.336CS..EExtended strand (participates in β ladder)trans-145.5153.6178-167.10000110.5W344 I346 T443W344-T356 HydrophobicContact CB-CG2 4Å; W344-T356 PolarHBondContact N-O 2.92Å; W344-T356 PolarHBondContact O-N 2.65Å; I346-T356 HydrophobicContact CB-CG2 4.47Å; I346-T356 HydrophobicContact CD1-CG2 3.78Å; I346-T356 HydrophobicContact CG1-CG2 3.92Å; I346-T356 HydrophobicContact CG2-CG2 3.72Å; T356-T443 HydrophobicContact CG2-CG2 3.49Å; T356-T443 VanDerWaalsContact CG2-CG2 3.49Å; T356-T443 VanDerWaalsContact OG1-CB 3.26Å; T356-T443 WeakPolarHBondContact OG1-CB 3.47Å; T356-T443 PolarHBondContact OG1-OG1 3.15Å
357W86.2Confident77.1Confident15 Ų1564.7 Ų64.76%0.05736%0.355CS..EExtended strand (participates in β ladder)trans-110.5139.8178.2-66.387.1000110.3I330 T338 K341 E342 V343 M363 E368 L371 S372 T444I330-W357 HydrophobicContact CD1-CH2 3.84Å; I330-W357 HydrophobicContact CD1-CZ2 4.22Å; T338-W357 HydrophobicContact CG2-CZ3 4.39Å; K341-W357 HydrophobicContact CB-CE3 3.83Å; K341-W357 HydrophobicContact CB-CZ3 4.14Å; K341-W357 HydrophobicContact CD-CE3 4.11Å; E342-W357 WeakPolarHBondContact O-CA 3.44Å; V343-W357 HydrophobicContact CB-CD2 3.98Å; V343-W357 HydrophobicContact CB-CE3 3.75Å; V343-W357 HydrophobicContact CB-CH2 4.04Å; V343-W357 HydrophobicContact CB-CZ2 4.2Å; V343-W357 HydrophobicContact CB-CZ3 3.81Å; V343-W357 HydrophobicContact CG2-CD2 3.88Å; V343-W357 HydrophobicContact CG2-CE3 4.19Å; V343-W357 HydrophobicContact CG2-CG 4.4Å; V343-W357 HydrophobicContact CG2-CH2 4.31Å; V343-W357 HydrophobicContact CG2-CZ2 3.96Å; V343-W357 HydrophobicContact CG2-CZ3 4.41Å; W357-M363 HydrophobicContact CH2-CE 4.18Å; W357-M363 HydrophobicContact CZ3-CE 4.19Å; W357-E368 HydrophobicContact CD2-CG 4.24Å; W357-E368 HydrophobicContact CG-CG 4.35Å; W357-E368 HydrophobicContact CZ2-CG 4.05Å; W357-L371 HydrophobicContact CH2-CD2 4.03Å; W357-L371 HydrophobicContact CZ2-CD2 4.43Å; W357-S372 PolarHBondContact NE1-OG 3.04Å; W357-S372 VanDerWaalsContact NE1-OG 3.16Å; W357-T444 PolarHBondContact O-N 3.25Å; W357-T444 VanDerWaalsContact O-N 3.16Å
358S81.1Confident76.4Confident13 Ų1365.7 Ų65.79%0.09136%0.36CS..EExtended strand (participates in β ladder)trans-114.5130.4170.560.20000109.7K341 E342 W344K341-S358 WeakPolarHBondContact CA-O 3.17Å; E342-S358 PolarHBondContact N-O 2.97Å; E342-S358 PolarHBondContact O-N 3.2Å; E342-S358 PolarHBondContact O-OG 2.82Å; W344-S358 PolarHBondContact NE1-OG 2.97Å
359G71.3Confident75.8Confident31 Ų3165.4 Ų65.432%0.3236%0.362SS..  trans140.3162.2177.700000113.3T444G359-T444 PolarHBondContact O-OG1 3.07Å
360Q58Low75.6Confident198 Ų19870.8 Ų70.893%0.92539%0.387SS*.SBendtrans-100.2-12.6-173.7-102.2-179.3-4.600115
361E59.6Low75.7Confident122 Ų12270.3 Ų70.357%0.5738%0.376SS*.SBendtrans-79.9154.7-174.7-76.8-164.6174.700114.1S339 K341 M363S339-E361 VanDerWaalsContact CB-OE2 3.28Å; S339-E361 WeakPolarHBondContact CB-OE2 3.3Å; S339-E361 VanDerWaalsContact O-OE2 3.05Å; K341-E361 WeakPolarHBondContact CE-O 3.36Å; K341-E361 PolarHBondContact NZ-O 3.29Å; E361-M363 PolarHBondContact O-N 3.21Å
362V56.1Low76.1Confident145 Ų14562.4 Ų62.488%0.87934%0.341SS*.  trans-94.396.3-170-174.20000110.2
363M63.2Low76.5Confident47 Ų4762.8 Ų62.823%0.23234%0.343CS..  trans-85.4142.6155.5-162.4-176.6-36.300108.1K341 W357 E361 H365 E368 L371K341-M363 HydrophobicContact CD-CE 4.26Å; W357-M363 HydrophobicContact CH2-CE 4.18Å; W357-M363 HydrophobicContact CZ3-CE 4.19Å; E361-M363 PolarHBondContact O-N 3.21Å; M363-H365 PolarHBondContact O-N 3.21Å; M363-E368 HydrophobicContact SD-CB 3.97Å; M363-E368 HydrophobicContact SD-CG 4.4Å; M363-L371 HydrophobicContact SD-CD2 4.48Å
364S67.8Low76.4Confident65 Ų6569.6 Ų69.646%0.45537%0.368SS..  trans-59.6129.1171.5178.20000109.8T366 S367 E368S364-T366 PolarHBondContact O-N 3.49Å; S364-T366 VanDerWaalsContact O-N 3.15Å; S364-T366 PolarHBondContact OG-OG1 2.86Å; S364-S367 PolarHBondContact O-N 2.92Å; S364-E368 PolarHBondContact O-N 3.1Å
365H73Confident76Confident114 Ų11469.2 Ų69.253%0.52837%0.366SS..Hα-helixtrans-54.1-36.9-178-176.267000112.5M363 E368 V369 E447M363-H365 PolarHBondContact O-N 3.21Å; H365-E368 PolarHBondContact O-N 3.32Å; H365-V369 VanDerWaalsContact O-CG2 3.29Å; H365-V369 WeakPolarHBondContact O-CG2 3.33Å; H365-V369 PolarHBondContact O-N 2.91Å; H365-E447 IonicContact CE1-OE1 2.65Å; H365-E447 PolarHBondContact CE1-OE1 3.02Å
366T74.7Confident75.6Confident88 Ų8868.9 Ų68.954%0.5436%0.364SS..Hα-helixtrans-65-40.6176.547.50000113.2S364 Q370S364-T366 PolarHBondContact O-N 3.49Å; S364-T366 VanDerWaalsContact O-N 3.15Å; S364-T366 PolarHBondContact OG-OG1 2.86Å; T366-Q370 VanDerWaalsContact O-CG 3.29Å; T366-Q370 WeakPolarHBondContact O-CG 3.48Å; T366-Q370 PolarHBondContact O-N 2.77Å; T366-Q370 VanDerWaalsContact O-N 3.13Å
367S75.6Confident75.4Confident58 Ų5874.8 Ų74.841%0.40639%0.39SS..Hα-helixtrans-70.7-36.4177.2-56.80000111.4S364 Q370 L371S364-S367 PolarHBondContact O-N 2.92Å; S367-Q370 PolarHBondContact O-N 3.17Å; S367-L371 VanDerWaalsContact O-CB 3.28Å; S367-L371 WeakPolarHBondContact O-CB 3.39Å; S367-L371 PolarHBondContact O-N 3.25Å
368E77.1Confident75Confident21 Ų2177.6 Ų77.610%0.09841%0.406CS..Hα-helixtrans-64-46.6176.5-170.8169.7130.200111.6K341 W357 M363 S364 H365 L371 S372K341-E368 IonicContact NZ-OE2 2.79Å; K341-E368 PolarHBondContact NZ-OE2 3.08Å; W357-E368 HydrophobicContact CD2-CG 4.24Å; W357-E368 HydrophobicContact CG-CG 4.35Å; W357-E368 HydrophobicContact CZ2-CG 4.05Å; M363-E368 HydrophobicContact SD-CB 3.97Å; M363-E368 HydrophobicContact SD-CG 4.4Å; S364-E368 PolarHBondContact O-N 3.1Å; H365-E368 PolarHBondContact O-N 3.32Å; E368-L371 PolarHBondContact O-N 3.35Å; E368-S372 VanDerWaalsContact O-CB 3.26Å; E368-S372 WeakPolarHBondContact O-CB 3.27Å; E368-S372 PolarHBondContact O-N 3.04Å; E368-S372 PolarHBondContact O-OG 2.93Å
369V81.3Confident75Confident60 Ų6077 Ų7736%0.36440%0.402SS..Hα-helixtrans-62.9-44.4176.5172.10000111.3H365 S372 N373H365-V369 VanDerWaalsContact O-CG2 3.29Å; H365-V369 WeakPolarHBondContact O-CG2 3.33Å; H365-V369 PolarHBondContact O-N 2.91Å; V369-S372 PolarHBondContact O-N 3.36Å; V369-N373 WeakPolarHBondContact O-CB 3.34Å; V369-N373 VanDerWaalsContact O-CG 3.25Å; V369-N373 PolarHBondContact O-N 3.49Å; V369-N373 PolarHBondContact O-ND2 2.95Å
370Q81.7Confident75.3Confident139 Ų13983 Ų8365%0.6542%0.415SS*.Hα-helixtrans-63.3-44.7178.1-75.1176.5-1.400112.5T366 S367 R374T366-Q370 VanDerWaalsContact O-CG 3.29Å; T366-Q370 WeakPolarHBondContact O-CG 3.48Å; T366-Q370 PolarHBondContact O-N 2.77Å; T366-Q370 VanDerWaalsContact O-N 3.13Å; S367-Q370 PolarHBondContact O-N 3.17Å; Q370-R374 WeakPolarHBondContact O-CB 3.48Å; Q370-R374 PolarHBondContact O-N 3.5Å; Q370-R374 VanDerWaalsContact O-N 3.13Å
371L82.4Confident75.8Confident26 Ų2679.6 Ų79.614%0.13641%0.407CS..Hα-helixtrans-62.7-44.5177-179.662.9000111I330 L334 A336 W357 M363 S367 E368 R374 A375I330-L371 HydrophobicContact CD1-CD2 4.5Å; I330-L371 HydrophobicContact CD1-CG 4.41Å; I330-L371 HydrophobicContact CG2-CD1 4.45Å; I330-L371 HydrophobicContact CG2-CD2 4.04Å; L334-L371 HydrophobicContact CB-CD1 4.44Å; L334-L371 HydrophobicContact CD1-CD1 3.59Å; A336-L371 HydrophobicContact CB-CD1 3.88Å; A336-L371 HydrophobicContact CB-CD2 4.06Å; W357-L371 HydrophobicContact CH2-CD2 4.03Å; W357-L371 HydrophobicContact CZ2-CD2 4.43Å; M363-L371 HydrophobicContact SD-CD2 4.48Å; S367-L371 VanDerWaalsContact O-CB 3.28Å; S367-L371 WeakPolarHBondContact O-CB 3.39Å; S367-L371 PolarHBondContact O-N 3.25Å; E368-L371 PolarHBondContact O-N 3.35Å; L371-R374 PolarHBondContact O-N 2.87Å; L371-A375 VanDerWaalsContact O-CB 3.29Å; L371-A375 WeakPolarHBondContact O-CB 3.4Å; L371-A375 PolarHBondContact O-N 3Å
372S82.1Confident76.3Confident12 Ų1278.3 Ų78.38%0.08440%0.4CS..Hα-helixtrans-61.1-49.3178.8-58.70000111.2W357 E368 V369 R374 A375 M376W357-S372 PolarHBondContact NE1-OG 3.04Å; W357-S372 VanDerWaalsContact NE1-OG 3.16Å; E368-S372 VanDerWaalsContact O-CB 3.26Å; E368-S372 WeakPolarHBondContact O-CB 3.27Å; E368-S372 PolarHBondContact O-N 3.04Å; E368-S372 PolarHBondContact O-OG 2.93Å; V369-S372 PolarHBondContact O-N 3.36Å; S372-R374 PolarHBondContact O-N 2.98Å; S372-A375 PolarHBondContact O-N 3.48Å; S372-M376 VanDerWaalsContact O-CB 3.28Å; S372-M376 WeakPolarHBondContact O-CB 3.18Å; S372-M376 WeakPolarHBondContact O-CG 3.36Å; S372-M376 PolarHBondContact O-N 3.41Å
373N85.1Confident77Confident97 Ų9775 Ų7552%0.51938%0.383SS..Hα-helixtrans-59.5-46.8179.3-72.6-17.2000112V369 A375 M376 E377V369-N373 WeakPolarHBondContact O-CB 3.34Å; V369-N373 VanDerWaalsContact O-CG 3.25Å; V369-N373 PolarHBondContact O-N 3.49Å; V369-N373 PolarHBondContact O-ND2 2.95Å; N373-A375 PolarHBondContact O-N 3.3Å; N373-M376 PolarHBondContact O-N 2.9Å; N373-E377 PolarHBondContact O-N 2.77Å
374R82Confident77.8Confident168 Ų16876 Ų7663%0.63439%0.387SS*.Hα-helixtrans-66.1-39.8-179-151.5177.6-168.6-1763112.1Q370 L371 S372 M376 L378Q370-R374 WeakPolarHBondContact O-CB 3.48Å; Q370-R374 PolarHBondContact O-N 3.5Å; Q370-R374 VanDerWaalsContact O-N 3.13Å; L371-R374 PolarHBondContact O-N 2.87Å; S372-R374 PolarHBondContact O-N 2.98Å; R374-M376 VanDerWaalsContact C-N 3.35Å; R374-L378 WeakPolarHBondContact O-CG 3.36Å; R374-L378 PolarHBondContact O-N 3.22Å
375A79.4Confident78.7Confident0 Ų080.3 Ų80.30%039%0.394CS..Hα-helixtrans-68.3-36.2176.100000111.8L326 I329 I330 L334 L371 S372 N373 L378 L379L326-A375 HydrophobicContact CD1-CB 3.6Å; I329-A375 HydrophobicContact CG2-CB 4.01Å; I330-A375 HydrophobicContact CD1-CB 4.29Å; I330-A375 HydrophobicContact CG1-CB 3.82Å; L334-A375 HydrophobicContact CD1-CB 4.09Å; L371-A375 VanDerWaalsContact O-CB 3.29Å; L371-A375 WeakPolarHBondContact O-CB 3.4Å; L371-A375 PolarHBondContact O-N 3Å; S372-A375 PolarHBondContact O-N 3.48Å; N373-A375 PolarHBondContact O-N 3.3Å; A375-L378 PolarHBondContact O-N 2.98Å; A375-L379 WeakPolarHBondContact O-CB 3.34Å; A375-L379 PolarHBondContact O-N 3.24Å
376M81.6Confident79.6Confident19 Ų1976.5 Ų76.59%0.09438%0.379CS..Hα-helixtrans-68.6-39.1177.9-77.3-62.6-69.700113.4L326 K353 L355 S372 N373 R374 L378 L379 R380L326-M376 HydrophobicContact CD1-SD 4.27Å; K353-M376 HydrophobicContact CB-CE 3.41Å; K353-M376 VanDerWaalsContact CB-CE 3.41Å; K353-M376 HydrophobicContact CD-CE 4.23Å; K353-M376 HydrophobicContact CG-CE 4.35Å; L355-M376 HydrophobicContact CD1-CG 3.67Å; L355-M376 HydrophobicContact CD1-SD 3.74Å; S372-M376 VanDerWaalsContact O-CB 3.28Å; S372-M376 WeakPolarHBondContact O-CB 3.18Å; S372-M376 WeakPolarHBondContact O-CG 3.36Å; S372-M376 PolarHBondContact O-N 3.41Å; N373-M376 PolarHBondContact O-N 2.9Å; R374-M376 VanDerWaalsContact C-N 3.35Å; M376-L378 VanDerWaalsContact C-N 3.32Å; M376-L378 PolarHBondContact O-N 3.42Å; M376-L379 PolarHBondContact O-N 2.98Å; M376-L379 HydrophobicContact SD-CD2 3.91Å; M376-R380 WeakPolarHBondContact O-CG 3.25Å; M376-R380 PolarHBondContact O-N 3.34Å
377E83.6Confident80.4Confident132 Ų13280.3 Ų80.362%0.61738%0.384SS*.Hα-helixtrans-58.1-45.8172.3-74.7177.5175.500111.4N373 L379 R380N373-E377 PolarHBondContact O-N 2.77Å; E377-L379 VanDerWaalsContact C-N 3.29Å; E377-L379 PolarHBondContact O-N 2.75Å; E377-R380 PolarHBondContact O-N 3.15Å
378L79.4Confident81.2Confident74 Ų7478 Ų7839%0.38737%0.368SS..Hα-helixtrans-65.7-31.4176.9-67.8174.9000113I329 V333 L334 R374 A375 M376I329-L378 HydrophobicContact CD1-CB 4.02Å; I329-L378 HydrophobicContact CG2-CB 4.24Å; I329-L378 HydrophobicContact CG2-CD1 3.72Å; V333-L378 HydrophobicContact CG1-CD1 4.23Å; L334-L378 HydrophobicContact CD2-CD1 4.23Å; R374-L378 WeakPolarHBondContact O-CG 3.36Å; R374-L378 PolarHBondContact O-N 3.22Å; A375-L378 PolarHBondContact O-N 2.98Å; M376-L378 VanDerWaalsContact C-N 3.32Å; M376-L378 PolarHBondContact O-N 3.42Å
379L80.9Confident82.1Confident0 Ų077.7 Ų77.70%037%0.367CS..Hα-helixtrans-71.5-42.4177.4-176.365.4000111.7D322 R325 L326 I329 V345 K353 A375 M376 E377 V381 K382D322-L379 HydrophobicContact CB-CD2 4.34Å; R325-L379 HydrophobicContact CB-CD1 3.49Å; R325-L379 VanDerWaalsContact CB-CD1 3.49Å; R325-L379 HydrophobicContact CG-CD1 4.43Å; L326-L379 HydrophobicContact CB-CD2 4.36Å; I329-L379 HydrophobicContact CD1-CB 4.27Å; I329-L379 HydrophobicContact CD1-CD1 4.49Å; V345-L379 HydrophobicContact CG2-CD2 4.07Å; K353-L379 HydrophobicContact CD-CD2 3.79Å; K353-L379 HydrophobicContact CD-CG 4.36Å; A375-L379 WeakPolarHBondContact O-CB 3.34Å; A375-L379 PolarHBondContact O-N 3.24Å; M376-L379 PolarHBondContact O-N 2.98Å; M376-L379 HydrophobicContact SD-CD2 3.91Å; E377-L379 VanDerWaalsContact C-N 3.29Å; E377-L379 PolarHBondContact O-N 2.75Å; L379-V381 VanDerWaalsContact C-N 3.27Å; L379-V381 PolarHBondContact O-N 3.5Å; L379-K382 PolarHBondContact O-N 2.84Å; L379-K382 VanDerWaalsContact O-N 3.17Å
380R77.7Confident82.8Confident157 Ų15774.8 Ų74.859%0.59235%0.35SS*.Hα-helixtrans-60.8-31.8-176.9-77.8177.7172.7-168.4-2.6113.5M376 E377 K382M376-R380 WeakPolarHBondContact O-CG 3.25Å; M376-R380 PolarHBondContact O-N 3.34Å; E377-R380 PolarHBondContact O-N 3.15Å; R380-K382 PolarHBondContact O-N 2.93Å
381V68.4Low83.6Confident127 Ų12772.5 Ų72.577%0.7734%0.341SS*.THydrogen-bonded Turntrans-71.4-14.6-179.41790000112.9L379L379-V381 VanDerWaalsContact C-N 3.27Å; L379-V381 PolarHBondContact O-N 3.5Å
382K69.8Low84.3Confident95 Ų9571.3 Ų71.341%0.41334%0.336SS..  trans-95.1110-172.2-68-175.4178.8-1790113.3R325 L379 R380R325-K382 PolarHBondContact NH1-O 3.09Å; R325-K382 VanDerWaalsContact NH1-O 3.14Å; L379-K382 PolarHBondContact O-N 2.84Å; L379-K382 VanDerWaalsContact O-N 3.17Å; R380-K382 PolarHBondContact O-N 2.93Å
383S71.3Confident85.1Confident75 Ų7570.8 Ų70.852%0.52433%0.332SS..  trans-57.6146.9168.21770000112.5R325R325-S383 PolarHBondContact NH1-O 2.99Å; R325-S383 PolarHBondContact NH2-O 3.11Å
384Q79Confident85.7Confident68 Ų6866.1 Ų66.132%0.31831%0.307SS..  trans-94.9109.6173-66.9-174.6-7.200109.2L321 D322 V389L321-Q384 HydrophobicContact CD2-CB 4.41Å; L321-Q384 HydrophobicContact CD2-CG 3.99Å; D322-Q384 VanDerWaalsContact CG-NE2 3.33Å; D322-Q384 PolarHBondContact OD1-NE2 2.9Å; D322-Q384 PolarHBondContact OD2-NE2 2.82Å; Q384-V389 HydrophobicContact CB-CG2 4.48Å
385R87.7Confident86.5Confident157 Ų15759.1 Ų59.159%0.59228%0.282SS*.  trans-98.9154.8177.1-61.3-66.2-172173.8-0.3110.4W387 S388 V389R385-W387 VanDerWaalsContact C-N 3.26Å; R385-W387 HydrophobicContact CB-CG 4.37Å; R385-W387 VanDerWaalsContact CB-NE1 3.32Å; R385-W387 PolarHBondContact O-N 2.74Å; R385-W387 VanDerWaalsContact O-N 3.15Å; R385-S388 WeakPolarHBondContact O-CB 3.44Å; R385-S388 PolarHBondContact O-N 3.16Å; R385-V389 PolarHBondContact O-N 2.77Å; R385-V389 VanDerWaalsContact O-N 3.16Å
386S90.4Very high87.4Confident33 Ų3359.1 Ų59.123%0.23128%0.282CS..Hα-helixtrans-48.7-43.1-178.8-50.30000113.2E192 A196 V389 G390E192-S386 PolarHBondContact OE2-OG 2.74Å; A196-S386 WeakPolarHBondContact CB-O 3.27Å; S386-V389 PolarHBondContact O-N 3.48Å; S386-G390 PolarHBondContact O-N 2.82Å
387W91.9Very high88.2Confident169 Ų16958.2 Ų58.264%0.6428%0.278SS*.Hα-helixtrans-66.4-36.7178.261.2-97.2000113.9R385 G390 L391R385-W387 VanDerWaalsContact C-N 3.26Å; R385-W387 HydrophobicContact CB-CG 4.37Å; R385-W387 VanDerWaalsContact CB-NE1 3.32Å; R385-W387 PolarHBondContact O-N 2.74Å; R385-W387 VanDerWaalsContact O-N 3.15Å; W387-G390 PolarHBondContact O-N 2.78Å; W387-L391 HydrophobicContact CE3-CD1 4.19Å; W387-L391 WeakPolarHBondContact O-CG 3.44Å; W387-L391 PolarHBondContact O-N 2.74Å; W387-L391 VanDerWaalsContact O-N 3.09Å
388S92.5Very high88.9Confident8 Ų852.8 Ų52.86%0.05625%0.253CS..Hα-helixtrans-67.7-41.1176.7-60.80000110.9R325 R385 S392R325-S388 PolarHBondContact NH2-OG 2.85Å; R385-S388 WeakPolarHBondContact O-CB 3.44Å; R385-S388 PolarHBondContact O-N 3.16Å; S388-S392 PolarHBondContact O-N 2.8Å
389V95.3Very high89.8Confident15 Ų1549.3 Ų49.39%0.09123%0.234CC..Hα-helixtrans-67.2-43.1176.8-176.20000110.1L193 I317 L321 Q384 R385 S386 L391 S392 V393L193-V389 HydrophobicContact CD1-CB 3.66Å; L193-V389 HydrophobicContact CD1-CG1 3.6Å; I317-V389 HydrophobicContact CD1-CG1 3.69Å; L321-V389 HydrophobicContact CD2-CG2 3.99Å; Q384-V389 HydrophobicContact CB-CG2 4.48Å; R385-V389 PolarHBondContact O-N 2.77Å; R385-V389 VanDerWaalsContact O-N 3.16Å; S386-V389 PolarHBondContact O-N 3.48Å; V389-L391 VanDerWaalsContact C-N 3.35Å; V389-L391 PolarHBondContact O-N 3.12Å; V389-S392 WeakPolarHBondContact O-CB 3.47Å; V389-S392 PolarHBondContact O-N 3.32Å; V389-S392 VanDerWaalsContact O-N 3.13Å; V389-V393 HydrophobicContact CG1-CG2 4.29Å; V389-V393 WeakPolarHBondContact O-CG2 3.38Å; V389-V393 PolarHBondContact O-N 2.93Å
390G97Very high90.5Very high0 Ų049.4 Ų49.40%024%0.235CC..Hα-helixtrans-57.8-41.7176.400000113.8S386 W387 V393 A394S386-G390 PolarHBondContact O-N 2.82Å; W387-G390 PolarHBondContact O-N 2.78Å; G390-V393 PolarHBondContact O-N 3.31Å; G390-A394 WeakPolarHBondContact O-CB 3.35Å; G390-A394 PolarHBondContact O-N 2.82Å
391L97.4Very high91.4Very high90 Ų9042.6 Ų42.647%0.47121%0.211SC..Hα-helixtrans-64.6-41.2174.3-71.4169.8000112.6A200 W387 V389 A394 D395A200-L391 HydrophobicContact CB-CD2 4.09Å; W387-L391 HydrophobicContact CE3-CD1 4.19Å; W387-L391 WeakPolarHBondContact O-CG 3.44Å; W387-L391 PolarHBondContact O-N 2.74Å; W387-L391 VanDerWaalsContact O-N 3.09Å; V389-L391 VanDerWaalsContact C-N 3.35Å; V389-L391 PolarHBondContact O-N 3.12Å; L391-A394 PolarHBondContact O-N 2.93Å; L391-D395 PolarHBondContact O-N 2.64Å
392S97.6Very high92.7Very high2 Ų240.4 Ų40.41%0.01420%0.195CC..Hα-helixtrans-63.3-44175.2164.50000111.5N320 S388 V389 D395 M396N320-S392 PolarHBondContact ND2-OG 2.92Å; S388-S392 PolarHBondContact O-N 2.8Å; V389-S392 WeakPolarHBondContact O-CB 3.47Å; V389-S392 PolarHBondContact O-N 3.32Å; V389-S392 VanDerWaalsContact O-N 3.13Å; S392-D395 PolarHBondContact O-N 3.12Å; S392-M396 PolarHBondContact O-N 3.28Å; S392-M396 VanDerWaalsContact O-N 3.13Å
393V98.4Very high94Very high0 Ų039.4 Ų39.40%019%0.194CC..Hα-helixtrans-60.8-47.9174.8168.50000110.9C197 I250 L290 A292 I317 V389 G390 D395 M396 V397C197-V393 HydrophobicContact CB-CG1 4.39Å; I250-V393 HydrophobicContact CD1-CG1 3.97Å; I250-V393 HydrophobicContact CG2-CG1 3.91Å; L290-V393 HydrophobicContact CD2-CG1 3.97Å; A292-V393 HydrophobicContact CB-CG2 4.41Å; I317-V393 HydrophobicContact CG2-CG2 3.73Å; V389-V393 HydrophobicContact CG1-CG2 4.29Å; V389-V393 WeakPolarHBondContact O-CG2 3.38Å; V389-V393 PolarHBondContact O-N 2.93Å; G390-V393 PolarHBondContact O-N 3.31Å; V393-D395 VanDerWaalsContact C-N 3.28Å; V393-D395 PolarHBondContact O-N 3.44Å; V393-M396 HydrophobicContact CG2-CE 4.17Å; V393-M396 PolarHBondContact O-N 2.77Å; V393-M396 VanDerWaalsContact O-N 3.1Å; V393-V397 HydrophobicContact CG1-CG2 4.14Å; V393-V397 VanDerWaalsContact O-CG2 3.26Å; V393-V397 WeakPolarHBondContact O-CG2 3.46Å; V393-V397 PolarHBondContact O-N 3.4Å
394A98.4Very high95.1Very high0 Ų041 Ų410%019%0.191CC..Hα-helixtrans-59.1-38.5177.800000112.3A200 I201 K204 I206 G390 L391 V397 D398A200-A394 HydrophobicContact CB-CB 3.74Å; I201-A394 HydrophobicContact CG1-CB 3.86Å; K204-A394 HydrophobicContact CD-CB 4.48Å; I206-A394 HydrophobicContact CD1-CB 3.99Å; I206-A394 WeakPolarHBondContact CD1-O 3.32Å; G390-A394 WeakPolarHBondContact O-CB 3.35Å; G390-A394 PolarHBondContact O-N 2.82Å; L391-A394 PolarHBondContact O-N 2.93Å; A394-V397 PolarHBondContact O-N 3.37Å; A394-D398 VanDerWaalsContact O-CB 3.29Å; A394-D398 WeakPolarHBondContact O-CB 3.49Å; A394-D398 PolarHBondContact O-N 3.49Å
395D98.3Very high95.9Very high21 Ų2144.3 Ų44.311%0.11221%0.205CC..Hα-helixtrans-63.8-38.6174.5-171.467.1000113.1K204 Q324 L391 S392 V393 S399 K406 H408K204-D395 IonicContact NZ-OD1 2.78Å; Q324-D395 PolarHBondContact NE2-OD2 2.84Å; L391-D395 PolarHBondContact O-N 2.64Å; S392-D395 PolarHBondContact O-N 3.12Å; V393-D395 VanDerWaalsContact C-N 3.28Å; V393-D395 PolarHBondContact O-N 3.44Å; D395-S399 PolarHBondContact O-N 2.79Å; D395-S399 PolarHBondContact O-OG 2.85Å; D395-K406 VanDerWaalsContact CG-NZ 3.34Å; D395-K406 IonicContact OD1-NZ 3.8Å; D395-K406 PolarHBondContact OD1-NZ 3.01Å; D395-K406 IonicContact OD2-NZ 3.9Å; D395-K406 PolarHBondContact OD2-NZ 3.47Å; D395-H408 IonicContact OD2-CE1 3.62Å; D395-H408 PolarHBondContact OD2-CE1 3.03Å; D395-H408 IonicContact OD2-ND1 2.66Å
396M98.5Very high96.3Very high0 Ų040.7 Ų40.70%019%0.193CC..Hα-helixtrans-68.9-43.7174-71.3-178.8-72.500112.2L290 I317 N320 S392 V393 D398 S399 I400 V410 L432L290-M396 HydrophobicContact CD1-CE 4.41Å; L290-M396 HydrophobicContact CD1-SD 4.37Å; L290-M396 HydrophobicContact CD2-CB 4.31Å; I317-M396 HydrophobicContact CB-CE 3.87Å; I317-M396 HydrophobicContact CG2-CE 3.59Å; N320-M396 HydrophobicContact CB-CE 4.36Å; N320-M396 HydrophobicContact CB-SD 3.96Å; S392-M396 PolarHBondContact O-N 3.28Å; S392-M396 VanDerWaalsContact O-N 3.13Å; V393-M396 HydrophobicContact CG2-CE 4.17Å; V393-M396 PolarHBondContact O-N 2.77Å; V393-M396 VanDerWaalsContact O-N 3.1Å; M396-D398 VanDerWaalsContact C-N 3.29Å; M396-D398 PolarHBondContact O-N 3.16Å; M396-S399 WeakPolarHBondContact O-CB 3.45Å; M396-S399 PolarHBondContact O-N 2.8Å; M396-I400 WeakPolarHBondContact O-CG1 3.24Å; M396-I400 PolarHBondContact O-N 3.28Å; M396-V410 HydrophobicContact SD-CG1 3.49Å; M396-V410 WeakPolarHBondContact SD-CG1 3.31Å; M396-L432 HydrophobicContact CB-CD1 4.37Å; M396-L432 HydrophobicContact CG-CD1 4.29Å
397V98.4Very high96.6Very high0 Ų040.4 Ų40.40%019%0.19CC..Hα-helixtrans-58.9-44.9177.4175.70000110.1V185 I201 I206 V248 I250 L290 V393 A394 S399 I400 V401V185-V397 HydrophobicContact CG1-CG1 4.31Å; V185-V397 HydrophobicContact CG2-CG1 3.95Å; I201-V397 HydrophobicContact CD1-CG2 4.24Å; I206-V397 HydrophobicContact CG2-CG1 3.88Å; V248-V397 HydrophobicContact CG1-CG2 4.34Å; I250-V397 HydrophobicContact CD1-CG2 3.57Å; I250-V397 HydrophobicContact CG1-CG2 4.26Å; L290-V397 HydrophobicContact CD2-CG2 3.97Å; V393-V397 HydrophobicContact CG1-CG2 4.14Å; V393-V397 VanDerWaalsContact O-CG2 3.26Å; V393-V397 WeakPolarHBondContact O-CG2 3.46Å; V393-V397 PolarHBondContact O-N 3.4Å; A394-V397 PolarHBondContact O-N 3.37Å; V397-S399 PolarHBondContact O-N 2.76Å; V397-I400 PolarHBondContact O-N 3.05Å; V397-I400 VanDerWaalsContact O-N 3.14Å; V397-V401 HydrophobicContact CG1-CG1 4.1Å; V397-V401 WeakPolarHBondContact O-CG2 3.42Å; V397-V401 PolarHBondContact O-N 2.79Å
398D98.1Very high96.9Very high18 Ų1832.3 Ų32.310%0.09616%0.159CC..Hα-helixtrans-56.9-46175.8-174.210.2000111.9I206 A394 M396 I400 N402 K404I206-D398 HydrophobicContact CD1-CB 3.79Å; I206-D398 HydrophobicContact CG1-CB 3.93Å; I206-D398 HydrophobicContact CG2-CB 4.17Å; A394-D398 VanDerWaalsContact O-CB 3.29Å; A394-D398 WeakPolarHBondContact O-CB 3.49Å; A394-D398 PolarHBondContact O-N 3.49Å; M396-D398 VanDerWaalsContact C-N 3.29Å; M396-D398 PolarHBondContact O-N 3.16Å; D398-I400 VanDerWaalsContact C-N 3.32Å; D398-I400 PolarHBondContact O-N 2.9Å; D398-N402 VanDerWaalsContact O-CB 3.29Å; D398-N402 WeakPolarHBondContact O-CB 3.34Å; D398-N402 PolarHBondContact O-N 2.82Å; D398-N402 PolarHBondContact OD1-ND2 2.78Å; D398-K404 WeakPolarHBondContact OD1-CE 3.4Å; D398-K404 IonicContact OD1-NZ 2.65Å; D398-K404 PolarHBondContact OD1-NZ 3.41Å; D398-K404 VanDerWaalsContact OD1-NZ 3.1Å; D398-K404 IonicContact OD2-NZ 3.22Å; D398-K404 PolarHBondContact OD2-NZ 2.91Å
399S97.9Very high97.1Very high0 Ų032 Ų320%016%0.157CC..Hα-helixtrans-60.8-39174.9-66.80000113.5D395 M396 V397 N403 K404 H408D395-S399 PolarHBondContact O-N 2.79Å; D395-S399 PolarHBondContact O-OG 2.85Å; M396-S399 WeakPolarHBondContact O-CB 3.45Å; M396-S399 PolarHBondContact O-N 2.8Å; V397-S399 PolarHBondContact O-N 2.76Å; S399-N403 CarbonylContact O-C 3.55Å; S399-N403 WeakPolarHBondContact O-CA 3.4Å; S399-N403 PolarHBondContact O-N 2.86Å; S399-K404 PolarHBondContact O-N 2.9Å; S399-H408 WeakPolarHBondContact CB-NE2 3.47Å; S399-H408 PolarHBondContact OG-NE2 2.87Å
400I97.6Very high97.3Very high3 Ų331.2 Ų31.22%0.01515%0.152CC..Hα-helixtrans-70.8-55.8179.5-65.6160.7000110.7V248 V288 M396 V397 D398 N402 N403 L432 G433 I434V248-I400 HydrophobicContact CG2-CB 4.22Å; V248-I400 HydrophobicContact CG2-CG2 3.59Å; V288-I400 HydrophobicContact CB-CG2 4.2Å; V288-I400 HydrophobicContact CG1-CD1 4.06Å; V288-I400 HydrophobicContact CG2-CG2 3.9Å; M396-I400 WeakPolarHBondContact O-CG1 3.24Å; M396-I400 PolarHBondContact O-N 3.28Å; V397-I400 PolarHBondContact O-N 3.05Å; V397-I400 VanDerWaalsContact O-N 3.14Å; D398-I400 VanDerWaalsContact C-N 3.32Å; D398-I400 PolarHBondContact O-N 2.9Å; I400-N402 PolarHBondContact O-N 2.78Å; I400-N403 PolarHBondContact O-N 2.81Å; I400-L432 HydrophobicContact CG1-CB 4.35Å; I400-L432 HydrophobicContact CG1-CD1 4.45Å; I400-G433 CarbonylContact O-C 3.6Å; I400-I434 WeakPolarHBondContact O-CA 3.4Å; I400-I434 PolarHBondContact O-N 3.02Å
401V96.1Very high97.3Very high14 Ų1431.2 Ų31.29%0.08515%0.152CC..Hα-helixtrans-70.1-33.5-172.8-57.90000112.8V185 I206 K247 V248 V397V185-V401 HydrophobicContact CG2-CG1 4.2Å; I206-V401 HydrophobicContact CG2-CG2 3.45Å; I206-V401 VanDerWaalsContact CG2-CG2 3.45Å; K247-V401 HydrophobicContact CB-CG1 4.48Å; V248-V401 HydrophobicContact CG2-CG1 3.81Å; V397-V401 HydrophobicContact CG1-CG1 4.1Å; V397-V401 WeakPolarHBondContact O-CG2 3.42Å; V397-V401 PolarHBondContact O-N 2.79Å
402N95.3Very high97.3Very high81 Ų8127.3 Ų27.343%0.43313%0.132SC..THydrogen-bonded Turntrans-97.59.5179.8-64.8-44.7000113.1D398 I400 K404D398-N402 VanDerWaalsContact O-CB 3.29Å; D398-N402 WeakPolarHBondContact O-CB 3.34Å; D398-N402 PolarHBondContact O-N 2.82Å; D398-N402 PolarHBondContact OD1-ND2 2.78Å; I400-N402 PolarHBondContact O-N 2.78Å; N402-K404 VanDerWaalsContact C-N 3.27Å; N402-K404 HydrophobicContact CB-CG 4.21Å; N402-K404 PolarHBondContact O-N 2.86Å
403N96Very high97.3Very high73 Ų7329.1 Ų29.139%0.3914%0.141SC..THydrogen-bonded Turntrans50.541.8177.8-160.529.6000114.1S399 I400 K405 G433 I434S399-N403 CarbonylContact O-C 3.55Å; S399-N403 WeakPolarHBondContact O-CA 3.4Å; S399-N403 PolarHBondContact O-N 2.86Å; I400-N403 PolarHBondContact O-N 2.81Å; N403-K405 PolarHBondContact O-N 3.12Å; N403-K405 VanDerWaalsContact O-N 3.16Å; N403-G433 WeakPolarHBondContact OD1-CA 3.5Å; N403-I434 HydrophobicContact CB-CG2 3.43Å; N403-I434 VanDerWaalsContact CB-CG2 3.43Å; N403-I434 VanDerWaalsContact CG-CG2 3.48Å; N403-I434 PolarHBondContact OD1-N 3.32Å
404K95.4Very high97.2Very high108 Ų10829.1 Ų29.147%0.4714%0.142SC..  trans-66.3-20.2-171.1-66.9-171.7170-177.50113.6D398 S399 N402 K406D398-K404 WeakPolarHBondContact OD1-CE 3.4Å; D398-K404 IonicContact OD1-NZ 2.65Å; D398-K404 PolarHBondContact OD1-NZ 3.41Å; D398-K404 VanDerWaalsContact OD1-NZ 3.1Å; D398-K404 IonicContact OD2-NZ 3.22Å; D398-K404 PolarHBondContact OD2-NZ 2.91Å; S399-K404 PolarHBondContact O-N 2.9Å; N402-K404 VanDerWaalsContact C-N 3.27Å; N402-K404 HydrophobicContact CB-CG 4.21Å; N402-K404 PolarHBondContact O-N 2.86Å; K404-K406 HydrophobicContact CB-CB 4.29Å; K404-K406 PolarHBondContact O-N 2.86Å
405K96.4Very high97.1Very high138 Ų13833.8 Ų33.860%0.616%0.162SC*.  trans5335.8-172.2-58.5-177.1179.6-176.20111.8N403 I431 L432N403-K405 PolarHBondContact O-N 3.12Å; N403-K405 VanDerWaalsContact O-N 3.16Å; K405-I431 HydrophobicContact CB-CG2 3.76Å; K405-I431 HydrophobicContact CG-CG2 4.41Å; K405-L432 WeakPolarHBondContact CA-O 3.32Å; K405-L432 PolarHBondContact N-O 2.57Å; K405-L432 VanDerWaalsContact N-O 3.12Å
406K95.9Very high96.7Very high82 Ų8235.8 Ų35.836%0.35719%0.188SC..EExtended strand (participates in β ladder)trans-78.9146.9174.8-177.2179.6172.4-169.40109D395 K404 H408 L432D395-K406 VanDerWaalsContact CG-NZ 3.34Å; D395-K406 IonicContact OD1-NZ 3.8Å; D395-K406 PolarHBondContact OD1-NZ 3.01Å; D395-K406 IonicContact OD2-NZ 3.9Å; D395-K406 PolarHBondContact OD2-NZ 3.47Å; K404-K406 HydrophobicContact CB-CB 4.29Å; K404-K406 PolarHBondContact O-N 2.86Å; K406-H408 PolarHBondContact O-CD2 3.48Å; K406-L432 PolarHBondContact O-N 3.08Å
407V96.8Very high96.4Very high26 Ų2639.7 Ų39.716%0.15820%0.203CC..EExtended strand (participates in β ladder)trans-81.4131.7174.8-1700000110.1W344 P429 C430 I431 I441W344-V407 HydrophobicContact CH2-CB 3.74Å; W344-V407 HydrophobicContact CH2-CG1 3.63Å; W344-V407 HydrophobicContact CZ2-CB 3.8Å; W344-V407 HydrophobicContact CZ2-CG1 3.49Å; W344-V407 VanDerWaalsContact CZ2-CG1 3.49Å; W344-V407 HydrophobicContact CZ3-CG1 4.31Å; V407-P429 HydrophobicContact CG1-CB 3.98Å; V407-C430 CarbonylContact C-O 3.56Å; V407-C430 WeakPolarHBondContact CA-O 3.46Å; V407-I431 HydrophobicContact CG2-CG1 4.38Å; V407-I441 HydrophobicContact CB-CD1 4.08Å; V407-I441 HydrophobicContact CG1-CD1 3.52Å; V407-I441 HydrophobicContact CG1-CG1 4.38Å; V407-I441 HydrophobicContact CG2-CD1 3.36Å
408H97.8Very high95.9Very high0 Ų041.5 Ų41.50%021%0.21CC..EExtended strand (participates in β ladder)trans-135.5137.8175-65.7-97.8000109.8N320 D395 S399 K406 V410 C430 L432N320-H408 WeakPolarHBondContact OD1-CB 3.48Å; N320-H408 PolarHBondContact OD1-ND1 3.11Å; D395-H408 IonicContact OD2-CE1 3.62Å; D395-H408 PolarHBondContact OD2-CE1 3.03Å; D395-H408 IonicContact OD2-ND1 2.66Å; S399-H408 WeakPolarHBondContact CB-NE2 3.47Å; S399-H408 PolarHBondContact OG-NE2 2.87Å; K406-H408 PolarHBondContact O-CD2 3.48Å; H408-V410 HydrophobicContact CB-CG1 3.78Å; H408-V410 PolarHBondContact O-N 3.17Å; H408-C430 PolarHBondContact N-O 2.83Å; H408-C430 PolarHBondContact O-N 2.98Å; H408-L432 HydrophobicContact CB-CD1 3.87Å; H408-L432 HydrophobicContact CB-CG 4.2Å
409S97.4Very high95.6Very high0 Ų045.5 Ų45.50%023%0.232CC..EExtended strand (participates in β ladder)trans-79.8103.4168.2-1730000109C319 N320 S323 V345 S427 L428C319-S409 CarbonylContact C-O 3.57Å; N320-S409 WeakPolarHBondContact CA-O 3.26Å; N320-S409 VanDerWaalsContact CB-O 3.26Å; N320-S409 WeakPolarHBondContact CB-O 3.41Å; N320-S409 PolarHBondContact N-O 3.18Å; S323-S409 VanDerWaalsContact OG-CB 3.26Å; S323-S409 WeakPolarHBondContact OG-CB 3.45Å; V345-S409 WeakPolarHBondContact O-CB 3.31Å; V345-S409 PolarHBondContact O-OG 2.65Å; S409-S427 PolarHBondContact O-OG 3.27Å; S409-S427 PolarHBondContact OG-OG 3.48Å; S409-L428 WeakPolarHBondContact CA-O 3.5Å
410V98.2Very high95.3Very high0 Ų045.9 Ų45.90%023%0.233CC..EExtended strand (participates in β ladder)trans-131.2152.3-174.3-68.20000111.1I315 G316 M396 H408 T412 S427 L428 C430 L432I315-V410 HydrophobicContact CG2-CB 3.57Å; I315-V410 HydrophobicContact CG2-CG1 4.08Å; I315-V410 HydrophobicContact CG2-CG2 3.65Å; G316-V410 WeakPolarHBondContact O-CB 3.25Å; M396-V410 HydrophobicContact SD-CG1 3.49Å; M396-V410 WeakPolarHBondContact SD-CG1 3.31Å; H408-V410 HydrophobicContact CB-CG1 3.78Å; H408-V410 PolarHBondContact O-N 3.17Å; V410-T412 PolarHBondContact O-N 3.48Å; V410-S427 PolarHBondContact N-OG 3.26Å; V410-S427 CarbonylContact O-C 3.55Å; V410-S427 VanDerWaalsContact O-CA 3.29Å; V410-S427 WeakPolarHBondContact O-CA 3.49Å; V410-L428 PolarHBondContact N-O 2.8Å; V410-L428 PolarHBondContact O-N 2.78Å; V410-C430 HydrophobicContact CG2-CB 3.78Å; V410-L432 HydrophobicContact CG1-CD1 4.26Å; V410-L432 HydrophobicContact CG2-CD2 4.17Å
411S98Very high95.2Very high0 Ų052.1 Ų52.10%027%0.267CS..EExtended strand (participates in β ladder)trans-68.9115.2177.6-161.10000109.8G316 L426G316-S411 PolarHBondContact N-O 2.98Å; G316-S411 PolarHBondContact O-N 3.26Å; S411-L426 WeakPolarHBondContact CA-O 3.43Å
412T97.7Very high95.2Very high8 Ų852.7 Ų52.75%0.04927%0.271CS..EExtended strand (participates in β ladder)trans-135.9168.2179.3-163.70000110V410 A414 F425 L426 L428 V440V410-T412 PolarHBondContact O-N 3.48Å; T412-A414 PolarHBondContact O-N 2.87Å; T412-A414 VanDerWaalsContact O-N 3.08Å; T412-F425 VanDerWaalsContact O-CA 3.22Å; T412-F425 WeakPolarHBondContact O-CA 3.48Å; T412-L426 PolarHBondContact N-O 3.25Å; T412-L426 PolarHBondContact O-N 3.31Å; T412-L428 HydrophobicContact CG2-CB 4.08Å; T412-L428 HydrophobicContact CG2-CD1 4.06Å; T412-L428 HydrophobicContact CG2-CG 4.36Å; T412-V440 HydrophobicContact CG2-CG2 4.3Å
413L97.8Very high95.2Very high39 Ų3951.9 Ų51.920%0.20427%0.265CS..EExtended strand (participates in β ladder)trans-62.5112.4178.8-179.265000109.9A311 K415 E423 F425A311-L413 HydrophobicContact CB-CB 4.21Å; A311-L413 HydrophobicContact CB-CD2 4.12Å; L413-K415 HydrophobicContact CD1-CB 4.11Å; L413-K415 HydrophobicContact CG-CB 4.1Å; L413-E423 HydrophobicContact CD1-CB 4.34Å; L413-F425 HydrophobicContact CB-CE1 4.36Å; L413-F425 HydrophobicContact CB-CE2 4.36Å; L413-F425 HydrophobicContact CB-CZ 4.13Å; L413-F425 HydrophobicContact CD1-CD2 4.41Å; L413-F425 HydrophobicContact CD1-CE2 4.04Å
414A95.4Very high95.3Very high1 Ų148.4 Ų48.41%0.00825%0.246CC..  trans-89.7-2.5-174.500000113.5T412 G416 Y417 I420 V424 L426 L428T412-A414 PolarHBondContact O-N 2.87Å; T412-A414 VanDerWaalsContact O-N 3.08Å; A414-G416 PolarHBondContact O-N 2.98Å; A414-Y417 WeakPolarHBondContact O-CB 3.44Å; A414-Y417 PolarHBondContact O-N 3.32Å; A414-I420 HydrophobicContact CB-CD1 4.47Å; A414-V424 HydrophobicContact CB-CG2 4.38Å; A414-V424 PolarHBondContact N-O 3.14Å; A414-L426 HydrophobicContact CB-CB 3.95Å; A414-L426 HydrophobicContact CB-CD1 4.14Å; A414-L426 HydrophobicContact CB-CG 4.2Å; A414-L428 HydrophobicContact CB-CD1 4.32Å
415K95.4Very high95.4Very high98 Ų9843.3 Ų43.343%0.42622%0.224SC..THydrogen-bonded Turntrans-56.5126.8176.2-176.1171.4179172.50111L413 I420 D421 S422 E423L413-K415 HydrophobicContact CD1-CB 4.11Å; L413-K415 HydrophobicContact CG-CB 4.1Å; K415-I420 CarbonylContact C-O 3.49Å; K415-I420 WeakPolarHBondContact CA-O 3.49Å; K415-D421 WeakPolarHBondContact CD-O 3.29Å; K415-D421 VanDerWaalsContact CE-O 3.24Å; K415-D421 WeakPolarHBondContact CE-O 3.49Å; K415-S422 WeakPolarHBondContact CB-O 3.35Å; K415-E423 HydrophobicContact CD-CG 4Å
416G91.2Very high95.4Very high63 Ų6336.8 Ų36.865%0.64920%0.196SC*.THydrogen-bonded Turntrans88.40.5-176.700000114.7A414 I420A414-G416 PolarHBondContact O-N 2.98Å; G416-I420 PolarHBondContact N-O 3.26Å
417Y90.8Very high95.5Very high81 Ų8132.9 Ų32.932%0.31818%0.179SC..SBendtrans-109.5143.5172.9-60-87.4000110.2A414 D419 I420 L428 V440A414-Y417 WeakPolarHBondContact O-CB 3.44Å; A414-Y417 PolarHBondContact O-N 3.32Å; Y417-D419 PolarHBondContact O-N 2.9Å; Y417-D419 VanDerWaalsContact O-N 3.11Å; Y417-I420 VanDerWaalsContact O-CB 3.29Å; Y417-I420 WeakPolarHBondContact O-CB 3.41Å; Y417-I420 WeakPolarHBondContact O-CG1 3.41Å; Y417-I420 PolarHBondContact O-N 3.49Å; Y417-L428 HydrophobicContact CD2-CD1 4.09Å; Y417-L428 HydrophobicContact CG-CD1 4.06Å; Y417-V440 HydrophobicContact CD1-CG1 4.37Å; Y417-V440 HydrophobicContact CE1-CB 3.9Å; Y417-V440 HydrophobicContact CE1-CG1 3.83Å; Y417-V440 HydrophobicContact CE1-CG2 4.43Å; Y417-V440 HydrophobicContact CE2-CG2 4.35Å; Y417-V440 WeakPolarHBondContact OH-CB 3.48Å; Y417-V440 WeakPolarHBondContact OH-CG2 3.4Å
418Y89.1Confident95.4Very high38 Ų3831.8 Ų31.815%0.14917%0.172CC..THydrogen-bonded Turntrans50.636178.2-54.1-86.1000114.2I420 L428 T443 L454 Q455Y418-I420 PolarHBondContact O-N 2.89Å; Y418-L428 HydrophobicContact CD2-CD2 4.41Å; Y418-L428 HydrophobicContact CE2-CD2 3.73Å; Y418-T443 PolarHBondContact OH-OG1 3.47Å; Y418-L454 HydrophobicContact CD1-CD1 3.77Å; Y418-L454 HydrophobicContact CD2-CD1 3.55Å; Y418-L454 HydrophobicContact CE1-CD1 3.97Å; Y418-L454 HydrophobicContact CE2-CD1 3.76Å; Y418-L454 HydrophobicContact CG-CD1 3.56Å; Y418-Q455 PolarHBondContact O-NE2 3.36Å
419D90.6Very high95.3Very high103 Ų10331.8 Ų31.855%0.55117%0.172SC*.THydrogen-bonded Turntrans5931.4-179.2-49.9-48000113.1Y417 K446Y417-D419 PolarHBondContact O-N 2.9Å; Y417-D419 VanDerWaalsContact O-N 3.11Å; D419-K446 IonicContact OD1-NZ 3.9Å; D419-K446 IonicContact OD2-NZ 3.32Å; D419-K446 PolarHBondContact OD2-NZ 3.48Å
420I93.1Very high95.3Very high7 Ų731.8 Ų31.84%0.03617%0.172CC..  trans-93.4118174.8-61165.5000109.9A414 K415 G416 Y417 Y418 V424 L426 L454 Q455 A458A414-I420 HydrophobicContact CB-CD1 4.47Å; K415-I420 CarbonylContact C-O 3.49Å; K415-I420 WeakPolarHBondContact CA-O 3.49Å; G416-I420 PolarHBondContact N-O 3.26Å; Y417-I420 VanDerWaalsContact O-CB 3.29Å; Y417-I420 WeakPolarHBondContact O-CB 3.41Å; Y417-I420 WeakPolarHBondContact O-CG1 3.41Å; Y417-I420 PolarHBondContact O-N 3.49Å; Y418-I420 PolarHBondContact O-N 2.89Å; I420-V424 HydrophobicContact CG2-CG2 3.73Å; I420-L426 HydrophobicContact CD1-CD1 3.86Å; I420-L454 HydrophobicContact CD1-CB 4.36Å; I420-Q455 HydrophobicContact CG1-CG 4.18Å; I420-A458 HydrophobicContact CD1-CB 3.95Å; I420-A458 HydrophobicContact CG1-CB 4.1Å; I420-A458 HydrophobicContact CG2-CB 3.91Å
421D94.4Very high95.3Very high134 Ų13433.2 Ų33.272%0.71718%0.18SC*.  trans-97.6-17.2179.4-68.7-42.3000114.2K415K415-D421 WeakPolarHBondContact CD-O 3.29Å; K415-D421 VanDerWaalsContact CE-O 3.24Å; K415-D421 WeakPolarHBondContact CE-O 3.49Å
422S96Very high95.3Very high26 Ų2633.2 Ų33.218%0.18218%0.18CC..SBendtrans-77.1152.8-179.156.20000112.3K415 V424K415-S422 WeakPolarHBondContact CB-O 3.35Å; S422-V424 PolarHBondContact O-N 2.92Å
423E96.8Very high95.2Very high65 Ų6533 Ų3330%0.30418%0.179SC..  trans-80.866.2177.7-65.6-172.1158.600111.7Y301 W304 K305 L413 K415Y301-E423 WeakPolarHBondContact CD2-O 3.1Å; Y301-E423 HydrophobicContact CE2-CB 4.23Å; Y301-E423 VanDerWaalsContact CE2-O 3.32Å; Y301-E423 WeakPolarHBondContact CE2-O 3.13Å; W304-E423 HydrophobicContact CZ3-CB 4.32Å; K305-E423 IonicContact NZ-OE2 3.29Å; K305-E423 PolarHBondContact NZ-OE2 3.23Å; L413-E423 HydrophobicContact CD1-CB 4.34Å; K415-E423 HydrophobicContact CD-CG 4Å
424V97.2Very high95Very high0 Ų036.3 Ų36.30%020%0.196CC..  trans-105.9151.5178.2-63.40000111.4A414 I420 S422 A458 I461 H462A414-V424 HydrophobicContact CB-CG2 4.38Å; A414-V424 PolarHBondContact N-O 3.14Å; I420-V424 HydrophobicContact CG2-CG2 3.73Å; S422-V424 PolarHBondContact O-N 2.92Å; V424-A458 HydrophobicContact CG2-CB 3.75Å; V424-I461 HydrophobicContact CB-CG2 4.39Å; V424-I461 HydrophobicContact CG1-CB 4.46Å; V424-I461 HydrophobicContact CG1-CG2 4.13Å; V424-H462 HydrophobicContact CG1-CB 3.79Å
425F97.9Very high94.9Very high0 Ų039.5 Ų39.50%022%0.218CC..EExtended strand (participates in β ladder)trans-101.8130.1172.5-78.8-111.5000108.6E297 T300 Y301 W304 T412 L413E297-F425 VanDerWaalsContact CB-O 3.26Å; E297-F425 WeakPolarHBondContact CB-O 3.41Å; E297-F425 WeakPolarHBondContact CG-O 3.35Å; T300-F425 HydrophobicContact CG2-CD1 3.32Å; T300-F425 HydrophobicContact CG2-CE1 3.63Å; T300-F425 HydrophobicContact CG2-CG 4.05Å; Y301-F425 HydrophobicContact CD2-CD2 4.25Å; Y301-F425 HydrophobicContact CD2-CE2 4.25Å; W304-F425 HydrophobicContact CB-CE2 4.2Å; W304-F425 HydrophobicContact CB-CZ 3.81Å; W304-F425 HydrophobicContact CD2-CE2 4.06Å; W304-F425 AromaticContact CD2-CZ 3.99Å; W304-F425 HydrophobicContact CD2-CZ 3.99Å; W304-F425 AromaticContact CE3-CE2 3.68Å; W304-F425 HydrophobicContact CE3-CE2 3.68Å; W304-F425 HydrophobicContact CE3-CZ 4.1Å; W304-F425 HydrophobicContact CG-CE2 4.29Å; W304-F425 AromaticContact CG-CZ 3.86Å; W304-F425 HydrophobicContact CG-CZ 3.86Å; W304-F425 HydrophobicContact CZ3-CE2 4.36Å; T412-F425 VanDerWaalsContact O-CA 3.22Å; T412-F425 WeakPolarHBondContact O-CA 3.48Å; L413-F425 HydrophobicContact CB-CE1 4.36Å; L413-F425 HydrophobicContact CB-CE2 4.36Å; L413-F425 HydrophobicContact CB-CZ 4.13Å; L413-F425 HydrophobicContact CD1-CD2 4.41Å; L413-F425 HydrophobicContact CD1-CE2 4.04Å
426L96.7Very high95Very high1 Ų134.9 Ų34.91%0.00520%0.198CC..EExtended strand (participates in β ladder)trans-139.2154.8176.2-69174.5000109.1E297 E348 S411 T412 A414 I420 L428 L454 A458 I461E297-L426 HydrophobicContact CG-CD2 4.38Å; E348-L426 HydrophobicContact CB-CD2 4.23Å; S411-L426 WeakPolarHBondContact CA-O 3.43Å; T412-L426 PolarHBondContact N-O 3.25Å; T412-L426 PolarHBondContact O-N 3.31Å; A414-L426 HydrophobicContact CB-CB 3.95Å; A414-L426 HydrophobicContact CB-CD1 4.14Å; A414-L426 HydrophobicContact CB-CG 4.2Å; I420-L426 HydrophobicContact CD1-CD1 3.86Å; L426-L428 PolarHBondContact O-N 3.39Å; L426-L454 HydrophobicContact CD1-CD2 4.45Å; L426-A458 HydrophobicContact CD1-CB 4.28Å; L426-I461 HydrophobicContact CD2-CD1 3.58Å
427S97.2Very high95.3Very high0 Ų032.5 Ų32.50%017%0.171CC..EExtended strand (participates in β ladder)trans-69.6119.2177.6-158.90000110.9C319 I346 G347 S409 V410C319-S427 WeakPolarHBondContact CB-OG 3.31Å; C319-S427 PolarHBondContact N-OG 2.93Å; I346-S427 CarbonylContact C-O 3.56Å; I346-S427 VanDerWaalsContact CA-O 3.3Å; I346-S427 WeakPolarHBondContact CA-O 3.28Å; I346-S427 VanDerWaalsContact CB-O 3.23Å; I346-S427 WeakPolarHBondContact CB-O 3.42Å; G347-S427 PolarHBondContact N-O 2.77Å; G347-S427 WeakPolarHBondContact O-CB 3.48Å; G347-S427 PolarHBondContact O-N 3.28Å; S409-S427 PolarHBondContact O-OG 3.27Å; S409-S427 PolarHBondContact OG-OG 3.48Å; V410-S427 PolarHBondContact N-OG 3.26Å; V410-S427 CarbonylContact O-C 3.55Å; V410-S427 VanDerWaalsContact O-CA 3.29Å; V410-S427 WeakPolarHBondContact O-CA 3.49Å
428L95.6Very high95.5Very high3 Ų332.4 Ų32.42%0.01618%0.182CC..EExtended strand (participates in β ladder)trans-131.2150.9175.7-63177.7000109.7S409 V410 T412 A414 Y417 Y418 L426 C430 V440S409-L428 WeakPolarHBondContact CA-O 3.5Å; V410-L428 PolarHBondContact N-O 2.8Å; V410-L428 PolarHBondContact O-N 2.78Å; T412-L428 HydrophobicContact CG2-CB 4.08Å; T412-L428 HydrophobicContact CG2-CD1 4.06Å; T412-L428 HydrophobicContact CG2-CG 4.36Å; A414-L428 HydrophobicContact CB-CD1 4.32Å; Y417-L428 HydrophobicContact CD2-CD1 4.09Å; Y417-L428 HydrophobicContact CG-CD1 4.06Å; Y418-L428 HydrophobicContact CD2-CD2 4.41Å; Y418-L428 HydrophobicContact CE2-CD2 3.73Å; L426-L428 PolarHBondContact O-N 3.39Å; L428-C430 PolarHBondContact O-N 3.15Å; L428-C430 VanDerWaalsContact O-N 3.15Å; L428-C430 PolarHBondContact O-SG 3.37Å; L428-V440 HydrophobicContact CB-CG1 3.91Å; L428-V440 HydrophobicContact CD1-CG1 4.05Å
429P95.8Very high95.7Very high0 Ų036.3 Ų36.30%020%0.201CC..EExtended strand (participates in β ladder)trans-69.5112.417728.4-32.1000109.7W344 V407 I441 T443W344-P429 HydrophobicContact CD2-CB 4.16Å; W344-P429 HydrophobicContact CG-CB 4.1Å; V407-P429 HydrophobicContact CG1-CB 3.98Å; P429-I441 HydrophobicContact CB-CB 4.31Å; P429-I441 HydrophobicContact CG-CB 4.22Å; P429-I441 PolarHBondContact O-N 3.48Å; P429-T443 HydrophobicContact CG-CG2 3.75Å
430C97Very high95.9Very high0 Ų032.3 Ų32.30%018%0.181CC..EExtended strand (participates in β ladder)trans-123.3141.9-174-61.50000111.3V407 H408 V410 L428 L432 V437 E439V407-C430 CarbonylContact C-O 3.56Å; V407-C430 WeakPolarHBondContact CA-O 3.46Å; H408-C430 PolarHBondContact N-O 2.83Å; H408-C430 PolarHBondContact O-N 2.98Å; V410-C430 HydrophobicContact CG2-CB 3.78Å; L428-C430 PolarHBondContact O-N 3.15Å; L428-C430 VanDerWaalsContact O-N 3.15Å; L428-C430 PolarHBondContact O-SG 3.37Å; C430-L432 HydrophobicContact CB-CD2 4.33Å; C430-V437 HydrophobicContact CB-CG1 3.95Å; C430-V437 HydrophobicContact CB-CG2 4.17Å; C430-E439 CarbonylContact C-O 3.52Å; C430-E439 VanDerWaalsContact CA-O 3.28Å; C430-E439 WeakPolarHBondContact CA-O 3.34Å
431I97.8Very high95.7Very high31 Ų3133.9 Ų33.916%0.15919%0.189CC..EExtended strand (participates in β ladder)trans-80.8117169.8-57.2-177.5000108.6K405 V407 S438 E439 I441K405-I431 HydrophobicContact CB-CG2 3.76Å; K405-I431 HydrophobicContact CG-CG2 4.41Å; V407-I431 HydrophobicContact CG2-CG1 4.38Å; I431-S438 WeakPolarHBondContact CB-OG 3.39Å; I431-S438 VanDerWaalsContact CG2-OG 3.24Å; I431-S438 WeakPolarHBondContact CG2-OG 3.47Å; I431-S438 PolarHBondContact O-N 3.32Å; I431-S438 PolarHBondContact O-OG 2.92Å; I431-E439 HydrophobicContact CB-CB 4.4Å; I431-E439 HydrophobicContact CD1-CB 4.14Å; I431-E439 HydrophobicContact CG1-CB 4.37Å; I431-E439 PolarHBondContact N-O 3.02Å; I431-I441 HydrophobicContact CD1-CD1 4.47Å; I431-I441 HydrophobicContact CD1-CG1 4.47Å; I431-I441 HydrophobicContact CG1-CD1 4.07Å; I431-I441 HydrophobicContact CG1-CG1 4.09Å
432L97.7Very high95Very high0 Ų036.3 Ų36.30%019%0.193CC..EExtended strand (participates in β ladder)trans-97.3135.6180-60.4-170.9000112.6I315 M396 I400 K405 K406 H408 V410 C430 G436 V437I315-L432 HydrophobicContact CD1-CD2 3.9Å; M396-L432 HydrophobicContact CB-CD1 4.37Å; M396-L432 HydrophobicContact CG-CD1 4.29Å; I400-L432 HydrophobicContact CG1-CB 4.35Å; I400-L432 HydrophobicContact CG1-CD1 4.45Å; K405-L432 WeakPolarHBondContact CA-O 3.32Å; K405-L432 PolarHBondContact N-O 2.57Å; K405-L432 VanDerWaalsContact N-O 3.12Å; K406-L432 PolarHBondContact O-N 3.08Å; H408-L432 HydrophobicContact CB-CD1 3.87Å; H408-L432 HydrophobicContact CB-CG 4.2Å; V410-L432 HydrophobicContact CG1-CD1 4.26Å; V410-L432 HydrophobicContact CG2-CD2 4.17Å; C430-L432 HydrophobicContact CB-CD2 4.33Å; L432-G436 WeakPolarHBondContact CA-O 3.45Å; L432-V437 HydrophobicContact CD2-CG2 3.9Å
433G95Very high93.9Very high3 Ų336 Ų363%0.03119%0.19CC..EExtended strand (participates in β ladder)trans-149.1-162.517500000112.5I400 N403 S435 G436I400-G433 CarbonylContact O-C 3.6Å; N403-G433 WeakPolarHBondContact OD1-CA 3.5Å; G433-S435 PolarHBondContact O-N 3.34Å; G433-S435 VanDerWaalsContact O-N 3.09Å; G433-G436 PolarHBondContact N-O 2.97Å; G433-G436 PolarHBondContact O-N 3Å
434I94Very high92.4Very high109 Ų10936.2 Ų36.256%0.55920%0.196SC*.THydrogen-bonded Turntrans-59.8-29-171.583.1174.4000113.7I400 N403I400-I434 WeakPolarHBondContact O-CA 3.4Å; I400-I434 PolarHBondContact O-N 3.02Å; N403-I434 HydrophobicContact CB-CG2 3.43Å; N403-I434 VanDerWaalsContact CB-CG2 3.43Å; N403-I434 VanDerWaalsContact CG-CG2 3.48Å; N403-I434 PolarHBondContact OD1-N 3.32Å
435S93.9Very high90.2Very high68 Ų6843 Ų4348%0.47623%0.231SC..THydrogen-bonded Turntrans-98.117.2-178-54.90000112.4N312 R313 G433N312-S435 PolarHBondContact ND2-O 3.23Å; R313-S435 WeakPolarHBondContact CG-O 3.46Å; G433-S435 PolarHBondContact O-N 3.34Å; G433-S435 VanDerWaalsContact O-N 3.09Å
436G96.7Very high88.2Confident0 Ų049.2 Ų49.20%026%0.258CS..EExtended strand (participates in β ladder)trans83.2-129.8-175.300000112.1N312 L432 G433 S438N312-G436 CarbonylContact O-C 3.59Å; N312-G436 WeakPolarHBondContact O-CA 3.38Å; L432-G436 WeakPolarHBondContact CA-O 3.45Å; G433-G436 PolarHBondContact N-O 2.97Å; G433-G436 PolarHBondContact O-N 3Å; G436-S438 PolarHBondContact O-N 3.05Å
437V97.8Very high86.5Confident14 Ų1452.9 Ų52.99%0.08528%0.275CS..EExtended strand (participates in β ladder)trans-70.8117.4177.8177.10000109.8N312 I315 C430 L432 V440N312-V437 HydrophobicContact CB-CB 4.37Å; N312-V437 WeakPolarHBondContact CB-O 3.36Å; N312-V437 PolarHBondContact O-N 3.14Å; I315-V437 HydrophobicContact CD1-CG2 3.83Å; I315-V437 HydrophobicContact CG1-CG2 3.99Å; C430-V437 HydrophobicContact CB-CG1 3.95Å; C430-V437 HydrophobicContact CB-CG2 4.17Å; L432-V437 HydrophobicContact CD2-CG2 3.9Å; V437-V440 HydrophobicContact CG1-CG2 4.32Å
438S94.5Very high85.2Confident79 Ų7958.4 Ų58.455%0.55231%0.305SS*.EExtended strand (participates in β ladder)trans-92.6-38.7175.757.20000112.5I431 G436I431-S438 WeakPolarHBondContact CB-OG 3.39Å; I431-S438 VanDerWaalsContact CG2-OG 3.24Å; I431-S438 WeakPolarHBondContact CG2-OG 3.47Å; I431-S438 PolarHBondContact O-N 3.32Å; I431-S438 PolarHBondContact O-OG 2.92Å; G436-S438 PolarHBondContact O-N 3.05Å
439E94.4Very high84.5Confident119 Ų11962.3 Ų62.356%0.55633%0.329SS*.EExtended strand (participates in β ladder)trans-154.3145-178.1-173.7176.3170.300109.8C430 I431C430-E439 CarbonylContact C-O 3.52Å; C430-E439 VanDerWaalsContact CA-O 3.28Å; C430-E439 WeakPolarHBondContact CA-O 3.34Å; I431-E439 HydrophobicContact CB-CB 4.4Å; I431-E439 HydrophobicContact CD1-CB 4.14Å; I431-E439 HydrophobicContact CG1-CB 4.37Å; I431-E439 PolarHBondContact N-O 3.02Å
440V93.8Very high84Confident19 Ų1962.9 Ų62.912%0.11533%0.333CS..EExtended strand (participates in β ladder)trans-98.8122.4169.1-176.40000108.2T412 Y417 L428 V437 K442T412-V440 HydrophobicContact CG2-CG2 4.3Å; Y417-V440 HydrophobicContact CD1-CG1 4.37Å; Y417-V440 HydrophobicContact CE1-CB 3.9Å; Y417-V440 HydrophobicContact CE1-CG1 3.83Å; Y417-V440 HydrophobicContact CE1-CG2 4.43Å; Y417-V440 HydrophobicContact CE2-CG2 4.35Å; Y417-V440 WeakPolarHBondContact OH-CB 3.48Å; Y417-V440 WeakPolarHBondContact OH-CG2 3.4Å; L428-V440 HydrophobicContact CB-CG1 3.91Å; L428-V440 HydrophobicContact CD1-CG1 4.05Å; V437-V440 HydrophobicContact CG1-CG2 4.32Å; V440-K442 PolarHBondContact O-N 3.29Å
441I90.1Very high83.5Confident40 Ų4063.3 Ų63.321%0.20534%0.336CS..PPolyproline II helixtrans-74.1125.4-179.6-58.3-169.5000109V407 P429 I431 T443V407-I441 HydrophobicContact CB-CD1 4.08Å; V407-I441 HydrophobicContact CG1-CD1 3.52Å; V407-I441 HydrophobicContact CG1-CG1 4.38Å; V407-I441 HydrophobicContact CG2-CD1 3.36Å; P429-I441 HydrophobicContact CB-CB 4.31Å; P429-I441 HydrophobicContact CG-CB 4.22Å; P429-I441 PolarHBondContact O-N 3.48Å; I431-I441 HydrophobicContact CD1-CD1 4.47Å; I431-I441 HydrophobicContact CD1-CG1 4.47Å; I431-I441 HydrophobicContact CG1-CD1 4.07Å; I431-I441 HydrophobicContact CG1-CG1 4.09Å; I441-T443 PolarHBondContact O-N 3.29Å
442K78.5Confident83.2Confident185 Ų18567.6 Ų67.680%0.80436%0.355SS*.PPolyproline II helixtrans-71.5122.3172.4-66-175.6-179.7-179.40109.1V440V440-K442 PolarHBondContact O-N 3.29Å
443T73.2Confident82.8Confident19 Ų1971.6 Ų71.612%0.11737%0.372CS..PPolyproline II helixtrans-81.9154.5176.665.50000110.1T356 Y418 P429 I441 L445T356-T443 HydrophobicContact CG2-CG2 3.49Å; T356-T443 VanDerWaalsContact CG2-CG2 3.49Å; T356-T443 VanDerWaalsContact OG1-CB 3.26Å; T356-T443 WeakPolarHBondContact OG1-CB 3.47Å; T356-T443 PolarHBondContact OG1-OG1 3.15Å; Y418-T443 PolarHBondContact OH-OG1 3.47Å; P429-T443 HydrophobicContact CG-CG2 3.75Å; I441-T443 PolarHBondContact O-N 3.29Å; T443-L445 PolarHBondContact O-N 2.97Å
444T64.9Low82.7Confident70 Ų7071.5 Ų71.543%0.42937%0.371SS..SBendtrans-76.6123.7-175-48.40000109.6W357 G359W357-T444 PolarHBondContact O-N 3.25Å; W357-T444 VanDerWaalsContact O-N 3.16Å; G359-T444 PolarHBondContact O-OG1 3.07Å
445L52.8Low82.6Confident143 Ų14369.3 Ų69.375%0.74936%0.359SS*.  trans66.6132.5171.2-69.8156.3000117.3T443 E447T443-L445 PolarHBondContact O-N 2.97Å; L445-E447 PolarHBondContact O-N 3.5Å
446K54Low82.6Confident131 Ų13170 Ų7057%0.5736%0.363SS*.  trans-6581.5160.7-67.2-170.7177.3-155.90107.7D419 D448D419-K446 IonicContact OD1-NZ 3.9Å; D419-K446 IonicContact OD2-NZ 3.32Å; D419-K446 PolarHBondContact OD2-NZ 3.48Å; K446-D448 PolarHBondContact O-N 2.99Å
447E62.7Low82.4Confident77 Ų7770.9 Ų70.936%0.3637%0.37SS..  trans-64.6112.7153.9-72-171.6170.800105.5H365 L445 T449 V450 S451H365-E447 IonicContact CE1-OE1 2.65Å; H365-E447 PolarHBondContact CE1-OE1 3.02Å; L445-E447 PolarHBondContact O-N 3.5Å; E447-T449 PolarHBondContact O-N 2.88Å; E447-V450 HydrophobicContact CB-CB 4.28Å; E447-V450 HydrophobicContact CB-CG2 3.99Å; E447-V450 WeakPolarHBondContact O-CB 3.33Å; E447-V450 PolarHBondContact O-N 3.5Å; E447-S451 PolarHBondContact O-N 3.37Å
448D68.9Low82.3Confident116 Ų11670.4 Ų70.462%0.6237%0.367SS*.Hα-helixtrans-50.3-37-175-72.3-29.2000110.9K446 V450 S451 E452K446-D448 PolarHBondContact O-N 2.99Å; D448-V450 PolarHBondContact O-N 3.37Å; D448-S451 PolarHBondContact O-N 2.93Å; D448-E452 WeakPolarHBondContact O-CB 3.44Å; D448-E452 VanDerWaalsContact O-CG 3.25Å; D448-E452 WeakPolarHBondContact O-CG 3.32Å; D448-E452 PolarHBondContact O-N 3.22Å
449T80.4Confident82.4Confident85 Ų8570.5 Ų70.552%0.52137%0.367SS..Hα-helixtrans-62.4-38.2176.856.90000114.1E447 K453E447-T449 PolarHBondContact O-N 2.88Å; T449-K453 WeakPolarHBondContact O-CG 3.14Å; T449-K453 PolarHBondContact O-N 3.16Å; T449-K453 VanDerWaalsContact O-N 3.12Å
450V86Confident82.3Confident13 Ų1368.5 Ų68.58%0.07937%0.367CS..Hα-helixtrans-68.7-46.3176.4168.30000109.5I346 V354 E447 D448 K453 L454I346-V450 HydrophobicContact CD1-CG1 4.2Å; V354-V450 HydrophobicContact CG1-CB 4.23Å; V354-V450 HydrophobicContact CG1-CG1 3.72Å; V354-V450 HydrophobicContact CG1-CG2 4.09Å; E447-V450 HydrophobicContact CB-CB 4.28Å; E447-V450 HydrophobicContact CB-CG2 3.99Å; E447-V450 WeakPolarHBondContact O-CB 3.33Å; E447-V450 PolarHBondContact O-N 3.5Å; D448-V450 PolarHBondContact O-N 3.37Å; V450-K453 PolarHBondContact O-N 3.42Å; V450-L454 HydrophobicContact CG1-CD1 4.07Å; V450-L454 VanDerWaalsContact O-CG 3.29Å; V450-L454 WeakPolarHBondContact O-CG 3.4Å; V450-L454 PolarHBondContact O-N 3.36Å
451S87.4Confident82.4Confident9 Ų967.8 Ų67.86%0.06336%0.362CS..Hα-helixtrans-62.1-45.4178.8-161.20000111.5E447 D448 K453 L454 Q455E447-S451 PolarHBondContact O-N 3.37Å; D448-S451 PolarHBondContact O-N 2.93Å; S451-K453 PolarHBondContact O-N 3.16Å; S451-L454 PolarHBondContact O-N 2.71Å; S451-Q455 WeakPolarHBondContact O-CB 3.25Å; S451-Q455 VanDerWaalsContact O-CG 3.24Å; S451-Q455 WeakPolarHBondContact O-CG 3.44Å; S451-Q455 PolarHBondContact O-N 3.17Å; S451-Q455 PolarHBondContact OG-NE2 3.47Å
452E89.7Confident82.7Confident121 Ų12169.1 Ų69.157%0.56537%0.367SS*.Hα-helixtrans-59.1-45.2177.1-77.4174.8179.600112.1D448 Q455 S456D448-E452 WeakPolarHBondContact O-CB 3.44Å; D448-E452 VanDerWaalsContact O-CG 3.25Å; D448-E452 WeakPolarHBondContact O-CG 3.32Å; D448-E452 PolarHBondContact O-N 3.22Å; E452-Q455 PolarHBondContact O-N 3.26Å; E452-S456 WeakPolarHBondContact O-CB 3.33Å; E452-S456 PolarHBondContact O-N 3.31Å
453K90.5Very high83.5Confident83 Ų8361.7 Ų61.736%0.36134%0.343SS..Hα-helixtrans-63.1-44177-77.3-170.4174.6-154.30112.3D352 V354 T449 V450 S451 Q455 S456 S457D352-K453 IonicContact OD1-NZ 3.48Å; D352-K453 PolarHBondContact OD1-NZ 3.16Å; D352-K453 IonicContact OD2-NZ 2.65Å; D352-K453 PolarHBondContact OD2-NZ 3.38Å; V354-K453 HydrophobicContact CG2-CB 3.85Å; V354-K453 HydrophobicContact CG2-CD 3.95Å; T449-K453 WeakPolarHBondContact O-CG 3.14Å; T449-K453 PolarHBondContact O-N 3.16Å; T449-K453 VanDerWaalsContact O-N 3.12Å; V450-K453 PolarHBondContact O-N 3.42Å; S451-K453 PolarHBondContact O-N 3.16Å; K453-Q455 VanDerWaalsContact C-N 3.35Å; K453-Q455 PolarHBondContact O-N 2.91Å; K453-S456 PolarHBondContact O-N 3.48Å; K453-S457 PolarHBondContact O-N 3.44Å
454L91.7Very high84.4Confident1 Ų162.1 Ų62.11%0.00535%0.345CS..Hα-helixtrans-63.6-41.3177.4-68.1175.3000111.8I346 Y418 I420 L426 V450 S451 S457 A458I346-L454 HydrophobicContact CD1-CD1 3.81Å; I346-L454 HydrophobicContact CD1-CD2 4.36Å; Y418-L454 HydrophobicContact CD1-CD1 3.77Å; Y418-L454 HydrophobicContact CD2-CD1 3.55Å; Y418-L454 HydrophobicContact CE1-CD1 3.97Å; Y418-L454 HydrophobicContact CE2-CD1 3.76Å; Y418-L454 HydrophobicContact CG-CD1 3.56Å; I420-L454 HydrophobicContact CD1-CB 4.36Å; L426-L454 HydrophobicContact CD1-CD2 4.45Å; V450-L454 HydrophobicContact CG1-CD1 4.07Å; V450-L454 VanDerWaalsContact O-CG 3.29Å; V450-L454 WeakPolarHBondContact O-CG 3.4Å; V450-L454 PolarHBondContact O-N 3.36Å; S451-L454 PolarHBondContact O-N 2.71Å; L454-S457 PolarHBondContact O-N 3.06Å; L454-A458 VanDerWaalsContact O-CB 3.25Å; L454-A458 WeakPolarHBondContact O-CB 3.44Å; L454-A458 PolarHBondContact O-N 3.45Å
455Q92.9Very high85.8Confident64 Ų6459.2 Ų59.230%0.29933%0.326SS..Hα-helixtrans-66-37.8175.9-72.1169.511.900112.2Y418 I420 S451 E452 K453 A458 S459Y418-Q455 PolarHBondContact O-NE2 3.36Å; I420-Q455 HydrophobicContact CG1-CG 4.18Å; S451-Q455 WeakPolarHBondContact O-CB 3.25Å; S451-Q455 VanDerWaalsContact O-CG 3.24Å; S451-Q455 WeakPolarHBondContact O-CG 3.44Å; S451-Q455 PolarHBondContact O-N 3.17Å; S451-Q455 PolarHBondContact OG-NE2 3.47Å; E452-Q455 PolarHBondContact O-N 3.26Å; K453-Q455 VanDerWaalsContact C-N 3.35Å; K453-Q455 PolarHBondContact O-N 2.91Å; Q455-A458 PolarHBondContact O-N 3.14Å; Q455-S459 WeakPolarHBondContact O-CB 3.16Å; Q455-S459 PolarHBondContact O-N 2.98Å; Q455-S459 PolarHBondContact O-OG 3.21Å
456S93.7Very high87.8Confident81 Ų8158.5 Ų58.557%0.56632%0.323SS*.Hα-helixtrans-63.2-49.6174.4-178.60000111.4E452 K453 A458 S459 S460E452-S456 WeakPolarHBondContact O-CB 3.33Å; E452-S456 PolarHBondContact O-N 3.31Å; K453-S456 PolarHBondContact O-N 3.48Å; S456-A458 PolarHBondContact O-N 2.99Å; S456-S459 PolarHBondContact O-N 3.48Å; S456-S460 PolarHBondContact O-N 2.79Å
457S93.7Very high89.6Confident20 Ų2057.9 Ų57.914%0.1432%0.322CS..Hα-helixtrans-59.8-45174.1-79.70000111.9E348 K453 L454 S459 S460 I461E348-S457 WeakPolarHBondContact OE2-CB 3.42Å; E348-S457 PolarHBondContact OE2-OG 2.89Å; K453-S457 PolarHBondContact O-N 3.44Å; L454-S457 PolarHBondContact O-N 3.06Å; S457-S459 VanDerWaalsContact C-N 3.3Å; S457-S459 PolarHBondContact O-N 3.06Å; S457-S460 PolarHBondContact O-N 3.43Å; S457-I461 WeakPolarHBondContact O-CB 3.36Å; S457-I461 VanDerWaalsContact O-CG1 3.3Å; S457-I461 WeakPolarHBondContact O-CG1 3.39Å; S457-I461 PolarHBondContact O-N 3.31Å
458A94.9Very high91Very high3 Ų354.9 Ų54.93%0.02531%0.308CS..Hα-helixtrans-56.9-43.6175.800000112I420 V424 L426 L454 Q455 S456 H462I420-A458 HydrophobicContact CD1-CB 3.95Å; I420-A458 HydrophobicContact CG1-CB 4.1Å; I420-A458 HydrophobicContact CG2-CB 3.91Å; V424-A458 HydrophobicContact CG2-CB 3.75Å; L426-A458 HydrophobicContact CD1-CB 4.28Å; L454-A458 VanDerWaalsContact O-CB 3.25Å; L454-A458 WeakPolarHBondContact O-CB 3.44Å; L454-A458 PolarHBondContact O-N 3.45Å; Q455-A458 PolarHBondContact O-N 3.14Å; S456-A458 PolarHBondContact O-N 2.99Å; A458-H462 WeakPolarHBondContact O-CB 3.46Å; A458-H462 PolarHBondContact O-N 3.01Å
459S95.4Very high92.1Very high81 Ų8157.1 Ų57.157%0.56631%0.312SS*.Hα-helixtrans-66.1-43.1179-60.40000111.9Q455 S456 S457 G463Q455-S459 WeakPolarHBondContact O-CB 3.16Å; Q455-S459 PolarHBondContact O-N 2.98Å; Q455-S459 PolarHBondContact O-OG 3.21Å; S456-S459 PolarHBondContact O-N 3.48Å; S457-S459 VanDerWaalsContact C-N 3.3Å; S457-S459 PolarHBondContact O-N 3.06Å; S459-G463 PolarHBondContact O-N 3.48Å
460S93.8Very high92.4Very high77 Ų7756.9 Ų56.954%0.53831%0.308SS..Hα-helixtrans-62-50.9176.7-177.50000111.8S456 S457 H462 G463 L464S456-S460 PolarHBondContact O-N 2.79Å; S457-S460 PolarHBondContact O-N 3.43Å; S460-H462 PolarHBondContact O-N 3.39Å; S460-G463 PolarHBondContact O-N 3.32Å; S460-L464 PolarHBondContact O-N 3.17Å
461I94.8Very high92.7Very high5 Ų559.1 Ų59.13%0.02632%0.319CS..Hα-helixtrans-61.1-46.2178.9-69.2164.7000110.4E297 I298 E348 V424 L426 S457 G463 L464 Q465E297-I461 HydrophobicContact CB-CD1 3.97Å; E297-I461 HydrophobicContact CG-CD1 4Å; I298-I461 HydrophobicContact CG1-CG2 4.07Å; E348-I461 HydrophobicContact CB-CD1 4.31Å; E348-I461 HydrophobicContact CG-CD1 4.15Å; V424-I461 HydrophobicContact CB-CG2 4.39Å; V424-I461 HydrophobicContact CG1-CB 4.46Å; V424-I461 HydrophobicContact CG1-CG2 4.13Å; L426-I461 HydrophobicContact CD2-CD1 3.58Å; S457-I461 WeakPolarHBondContact O-CB 3.36Å; S457-I461 VanDerWaalsContact O-CG1 3.3Å; S457-I461 WeakPolarHBondContact O-CG1 3.39Å; S457-I461 PolarHBondContact O-N 3.31Å; I461-G463 VanDerWaalsContact C-N 3.33Å; I461-G463 PolarHBondContact O-N 2.95Å; I461-L464 PolarHBondContact O-N 3.07Å; I461-Q465 HydrophobicContact CG2-CG 4.28Å; I461-Q465 VanDerWaalsContact O-CG 3.28Å; I461-Q465 WeakPolarHBondContact O-CG 3.45Å; I461-Q465 PolarHBondContact O-N 2.99Å
462H96.1Very high93Very high67 Ų6761.7 Ų61.731%0.3133%0.332SS..Hα-helixtrans-61.7-41.6177.4-176.1-116.2000111.9V424 A458 S460 L464 Q465 L466V424-H462 HydrophobicContact CG1-CB 3.79Å; A458-H462 WeakPolarHBondContact O-CB 3.46Å; A458-H462 PolarHBondContact O-N 3.01Å; S460-H462 PolarHBondContact O-N 3.39Å; H462-L464 VanDerWaalsContact C-N 3.28Å; H462-L464 PolarHBondContact O-N 3.44Å; H462-Q465 WeakPolarHBondContact O-CB 3.46Å; H462-Q465 PolarHBondContact O-N 3Å; H462-L466 WeakPolarHBondContact O-CG 3.49Å; H462-L466 PolarHBondContact O-N 3.44Å; H462-L466 VanDerWaalsContact O-N 3.08Å
463G95.4Very high93.2Very high29 Ų2958.4 Ų58.430%0.29932%0.32SS..Hα-helixtrans-60.1-37.217500000113.1S459 S460 I461 Q467S459-G463 PolarHBondContact O-N 3.48Å; S460-G463 PolarHBondContact O-N 3.32Å; I461-G463 VanDerWaalsContact C-N 3.33Å; I461-G463 PolarHBondContact O-N 2.95Å; G463-Q467 PolarHBondContact O-NE2 3.39Å
464L93.1Very high93.3Very high28 Ų2857 Ų5715%0.14732%0.317CS..Hα-helixtrans-73.2-40.9174.6-174.553.3000112Y262 L263 I298 S460 I461 H462 L466 Q467 L468Y262-L464 HydrophobicContact CD1-CD2 4.25Å; Y262-L464 HydrophobicContact CE1-CD2 3.64Å; L263-L464 HydrophobicContact CD1-CD1 3.52Å; I298-L464 HydrophobicContact CD1-CB 4.3Å; I298-L464 HydrophobicContact CD1-CD2 3.33Å; I298-L464 HydrophobicContact CD1-CG 3.83Å; S460-L464 PolarHBondContact O-N 3.17Å; I461-L464 PolarHBondContact O-N 3.07Å; H462-L464 VanDerWaalsContact C-N 3.28Å; H462-L464 PolarHBondContact O-N 3.44Å; L464-L466 VanDerWaalsContact C-N 3.29Å; L464-L466 PolarHBondContact O-N 3.47Å; L464-Q467 PolarHBondContact O-N 3.2Å; L464-Q467 VanDerWaalsContact O-N 3.09Å; L464-L468 PolarHBondContact O-N 3.43Å
465Q94.3Very high93.4Very high9 Ų960.5 Ų60.54%0.04234%0.337CS..Hα-helixtrans-56.8-40.5176.7-74.4170.7-12.800112.7Y301 I461 H462 Q467 L468Y301-Q465 HydrophobicContact CD1-CG 4.06Å; Y301-Q465 HydrophobicContact CE1-CB 4.49Å; Y301-Q465 HydrophobicContact CE1-CG 4.24Å; Y301-Q465 VanDerWaalsContact CG-NE2 3.34Å; I461-Q465 HydrophobicContact CG2-CG 4.28Å; I461-Q465 VanDerWaalsContact O-CG 3.28Å; I461-Q465 WeakPolarHBondContact O-CG 3.45Å; I461-Q465 PolarHBondContact O-N 2.99Å; H462-Q465 WeakPolarHBondContact O-CB 3.46Å; H462-Q465 PolarHBondContact O-N 3Å; Q465-Q467 PolarHBondContact O-N 3.07Å; Q465-L468 PolarHBondContact O-N 3.09Å; Q465-L468 VanDerWaalsContact O-N 3.16Å
466L93.6Very high93.5Very high128 Ų12860.3 Ų60.367%0.6734%0.339SS*.THydrogen-bonded Turntrans-65-21.1179.4-70.2173.7000113.8H462 L464H462-L466 WeakPolarHBondContact O-CG 3.49Å; H462-L466 PolarHBondContact O-N 3.44Å; H462-L466 VanDerWaalsContact O-N 3.08Å; L464-L466 VanDerWaalsContact C-N 3.29Å; L464-L466 PolarHBondContact O-N 3.47Å
467Q93.5Very high93.5Very high119 Ų11958.8 Ų58.856%0.55632%0.323SS*.THydrogen-bonded Turntrans-89.5-15178.9-64.7172.164.600112.5L263 G463 L464 Q465L263-Q467 HydrophobicContact CD1-CB 4.09Å; L263-Q467 HydrophobicContact CD2-CB 4.35Å; G463-Q467 PolarHBondContact O-NE2 3.39Å; L464-Q467 PolarHBondContact O-N 3.2Å; L464-Q467 VanDerWaalsContact O-N 3.09Å; Q465-Q467 PolarHBondContact O-N 3.07Å
468L92.1Very high93.4Very high14 Ų1461.8 Ų61.87%0.07334%0.337CS..SBendtrans-79.5138.8-179.5-64.5171.7000110.8L263 V266 Q267 V270 I298 L464 Q465 L470L263-L468 HydrophobicContact CD1-CD2 3.83Å; V266-L468 HydrophobicContact CB-CD2 4.29Å; V266-L468 HydrophobicContact CG1-CD1 3.93Å; V266-L468 HydrophobicContact CG1-CD2 3.76Å; V266-L468 HydrophobicContact CG1-CG 4.5Å; Q267-L468 HydrophobicContact CB-CD2 4.41Å; V270-L468 HydrophobicContact CG2-CD1 4.17Å; V270-L468 HydrophobicContact CG2-CD2 4.28Å; I298-L468 HydrophobicContact CG2-CD1 3.47Å; I298-L468 VanDerWaalsContact CG2-CD1 3.47Å; L464-L468 PolarHBondContact O-N 3.43Å; Q465-L468 PolarHBondContact O-N 3.09Å; Q465-L468 VanDerWaalsContact O-N 3.16Å; L468-L470 HydrophobicContact CB-CD1 4.4Å; L468-L470 PolarHBondContact O-N 2.96Å
469K91.6Very high93.3Very high163 Ų16366.7 Ų66.771%0.70936%0.363SS*.  trans-86.8105.4167.8-61.8174-175.3173.20106.5Q267 V270 R274Q267-K469 PolarHBondContact NE2-O 2.86Å; V270-K469 WeakPolarHBondContact CG1-O 3.37Å; R274-K469 PolarHBondContact NH2-O 2.83Å
470L86.3Confident93.1Very high80 Ų8065.4 Ų65.442%0.41934%0.344SS..  trans-80.50174.1-81.4104.8000111.9R274 Y301 V302 K305 L468R274-L470 VanDerWaalsContact CZ-OXT 3.22Å; R274-L470 PolarHBondContact NE-OXT 2.87Å; R274-L470 VanDerWaalsContact NH2-C 3.33Å; R274-L470 PolarHBondContact NH2-OXT 3.24Å; Y301-L470 HydrophobicContact CD1-CD2 4.42Å; Y301-L470 HydrophobicContact CE1-CD1 4.01Å; Y301-L470 HydrophobicContact CE1-CD2 3.94Å; V302-L470 HydrophobicContact CB-CD2 4.47Å; V302-L470 HydrophobicContact CG2-CD2 4.14Å; K305-L470 HydrophobicContact CB-CD2 3.67Å; K305-L470 HydrophobicContact CG-CD2 3.95Å; L468-L470 HydrophobicContact CB-CD1 4.4Å; L468-L470 PolarHBondContact O-N 2.96Å

Retrieved 470 of 470 residues in 574.7 ms (Link to these results)

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