G4VAX0_SCHMA Loading...

Rab9 effector protein with kelch motifs

Rab9 effector required for endosome to trans-Golgi network (TGN) transport.

AlphaFold DB , UniProt , Accession G4VAX0, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 477 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
1M44.8Very low60.2Low136 Ų13686.3 Ų86.367%0.6740%0.401SS*.  0-72.30-158166.455.300111.5K3 L4 L5M1-K3 PolarHBondContact O-N 3.4Å; M1-L4 PolarHBondContact O-N 2.98Å; M1-L5 PolarHBondContact O-N 3.34Å
2H47.9Very low61.3Low110 Ų11080.7 Ų80.751%0.50938%0.384SS..Hα-helixtrans-51.7-44.1-179.5-69.8-67.5000115L4 L5 E6H2-L4 PolarHBondContact O-N 3.37Å; H2-L4 VanDerWaalsContact O-N 3.15Å; H2-L5 PolarHBondContact O-N 3.33Å; H2-E6 WeakPolarHBondContact O-CG 3.38Å; H2-E6 PolarHBondContact O-N 2.91Å
3K53.9Low63.1Low170 Ų17075.7 Ų75.774%0.73936%0.363SS*.Hα-helixtrans-60.6-24.1178.3-69.7-173177.9-1780115.5M1M1-K3 PolarHBondContact O-N 3.4Å
4L59.4Low64.9Low21 Ų2170.6 Ų70.611%0.1134%0.339CS..Hα-helixtrans-85.1-41.7178.3-152.176.6000110.7M1 H2 E6 K7 L8 F73M1-L4 PolarHBondContact O-N 2.98Å; H2-L4 PolarHBondContact O-N 3.37Å; H2-L4 VanDerWaalsContact O-N 3.15Å; L4-E6 VanDerWaalsContact C-N 3.28Å; L4-E6 PolarHBondContact O-N 2.66Å; L4-K7 WeakPolarHBondContact O-CB 3.4Å; L4-K7 PolarHBondContact O-N 3.37Å; L4-K7 VanDerWaalsContact O-N 3.1Å; L4-L8 PolarHBondContact O-N 2.93Å; L4-F73 HydrophobicContact CB-CD2 4.44Å; L4-F73 HydrophobicContact CB-CE2 4.17Å; L4-F73 HydrophobicContact CD2-CB 4.43Å; L4-F73 HydrophobicContact CD2-CD1 4.02Å; L4-F73 HydrophobicContact CD2-CD2 3.32Å; L4-F73 HydrophobicContact CD2-CE1 4.07Å; L4-F73 HydrophobicContact CD2-CE2 3.4Å; L4-F73 VanDerWaalsContact CD2-CE2 3.4Å; L4-F73 HydrophobicContact CD2-CG 3.63Å; L4-F73 HydrophobicContact CD2-CZ 3.78Å; L4-F73 HydrophobicContact CG-CD2 4.41Å; L4-F73 HydrophobicContact CG-CE2 4.17Å
5L59Low66.5Low16 Ų1666.6 Ų66.68%0.08432%0.321CS..Hα-helixtrans-60.1-38172.9-67.5171.1000111.9M1 H2 K7 L8 I401M1-L5 PolarHBondContact O-N 3.34Å; H2-L5 PolarHBondContact O-N 3.33Å; L5-K7 VanDerWaalsContact C-N 3.3Å; L5-K7 PolarHBondContact O-N 3.28Å; L5-L8 HydrophobicContact CD2-CD1 3.99Å; L5-L8 WeakPolarHBondContact O-CB 3.39Å; L5-L8 PolarHBondContact O-N 3.16Å; L5-L8 VanDerWaalsContact O-N 3.13Å; L5-I401 HydrophobicContact CD1-CD1 4.49Å; L5-I401 HydrophobicContact CD2-CD1 3.61Å; L5-I401 HydrophobicContact CD2-CG1 4.17Å
6E61Low67.8Low79 Ų7968.3 Ų68.337%0.36933%0.326SS..Hα-helixtrans-58-41.1173.3-76.1166.2-162.500112.2H2 L4 L8 S9H2-E6 WeakPolarHBondContact O-CG 3.38Å; H2-E6 PolarHBondContact O-N 2.91Å; L4-E6 VanDerWaalsContact C-N 3.28Å; L4-E6 PolarHBondContact O-N 2.66Å; E6-L8 VanDerWaalsContact C-N 3.29Å; E6-L8 PolarHBondContact O-N 3.07Å; E6-S9 WeakPolarHBondContact O-CB 3.4Å; E6-S9 PolarHBondContact O-N 2.9Å; E6-S9 PolarHBondContact O-OG 3.29Å
7K62.7Low68.9Low127 Ų12764.8 Ų64.855%0.55231%0.31SS*.Hα-helixtrans-68.9-26.2177.6-71.3-177.7178.3-174.10113.2L4 L5 S9L4-K7 WeakPolarHBondContact O-CB 3.4Å; L4-K7 PolarHBondContact O-N 3.37Å; L4-K7 VanDerWaalsContact O-N 3.1Å; L5-K7 VanDerWaalsContact C-N 3.3Å; L5-K7 PolarHBondContact O-N 3.28Å; K7-S9 PolarHBondContact O-N 3.34Å
8L67Low69.1Low7 Ų765.4 Ų65.44%0.03732%0.322CS..THydrogen-bonded Turntrans-70.5-7.2177.2-68.7173.4000113.5L4 L5 E6 C15 F73 Y431 L450L4-L8 PolarHBondContact O-N 2.93Å; L5-L8 HydrophobicContact CD2-CD1 3.99Å; L5-L8 WeakPolarHBondContact O-CB 3.39Å; L5-L8 PolarHBondContact O-N 3.16Å; L5-L8 VanDerWaalsContact O-N 3.13Å; E6-L8 VanDerWaalsContact C-N 3.29Å; E6-L8 PolarHBondContact O-N 3.07Å; L8-C15 HydrophobicContact CD2-CB 4.33Å; L8-F73 HydrophobicContact CD1-CZ 3.77Å; L8-Y431 HydrophobicContact CB-CE1 3.89Å; L8-Y431 HydrophobicContact CD2-CD1 4.38Å; L8-Y431 HydrophobicContact CD2-CE1 3.97Å; L8-Y431 HydrophobicContact CG-CE1 4.42Å; L8-Y431 WeakPolarHBondContact O-CE1 3.44Å; L8-Y431 PolarHBondContact O-OH 2.95Å; L8-L450 HydrophobicContact CD1-CD1 4.43Å; L8-L450 HydrophobicContact CD2-CB 3.68Å; L8-L450 HydrophobicContact CD2-CD1 3.75Å; L8-L450 HydrophobicContact CD2-CG 4.36Å
9S65.3Low68.8Low48 Ų4867.4 Ų67.434%0.33633%0.327SS..THydrogen-bonded Turntrans-85-12.9-179.8700000114.7E6 K7 R11E6-S9 WeakPolarHBondContact O-CB 3.4Å; E6-S9 PolarHBondContact O-N 2.9Å; E6-S9 PolarHBondContact O-OG 3.29Å; K7-S9 PolarHBondContact O-N 3.34Å; S9-R11 PolarHBondContact O-N 2.85Å
10I70Confident68.1Low91 Ų9169.3 Ų69.347%0.46734%0.337SS..SBendtrans-88.8109.3-175.1-52.7176.3000109.5S13I10-S13 VanDerWaalsContact CG2-OG 3.31Å; I10-S13 WeakPolarHBondContact CG2-OG 3.46Å; I10-S13 PolarHBondContact O-N 2.82Å
11R71.5Confident67.3Low144 Ų14473.1 Ų73.154%0.54336%0.359SS..THydrogen-bonded Turntrans-57.2140.8174-74.4-172.4179.3-167.91.4110.9S9 S13 L452 E455S9-R11 PolarHBondContact O-N 2.85Å; R11-S13 PolarHBondContact O-N 2.73Å; R11-L452 HydrophobicContact CG-CD2 3.71Å; R11-L452 HydrophobicContact CG-CG 4.17Å; R11-E455 PolarHBondContact NH2-O 2.87Å
12G73.5Confident67.7Low19 Ų1973.1 Ų73.120%0.19636%0.357CS..THydrogen-bonded Turntrans70.77.1176.300000115.3
13S84.2Confident68.3Low16 Ų1670.3 Ų70.311%0.11236%0.358CS..  trans-108.1119.2176-70.60000111I10 R11I10-S13 VanDerWaalsContact CG2-OG 3.31Å; I10-S13 WeakPolarHBondContact CG2-OG 3.46Å; I10-S13 PolarHBondContact O-N 2.82Å; R11-S13 PolarHBondContact O-N 2.73Å
14W89Confident69.3Low5 Ų569.4 Ų69.42%0.01935%0.354CS..  trans-65.6133.3166.8-75.1101.7000110.8F342 Y369 T371 V373 L374 P375 L432 I434 Y449 I451W14-F342 HydrophobicContact CH2-CD1 4.49Å; W14-F342 HydrophobicContact CH2-CD2 4.46Å; W14-F342 HydrophobicContact CH2-CE1 4.48Å; W14-F342 HydrophobicContact CH2-CE2 4.42Å; W14-F342 HydrophobicContact CH2-CG 4.49Å; W14-F342 HydrophobicContact CH2-CZ 4.45Å; W14-F342 HydrophobicContact CZ2-CD1 4.41Å; W14-F342 AromaticContact CZ2-CD2 3.66Å; W14-F342 HydrophobicContact CZ2-CD2 3.66Å; W14-F342 HydrophobicContact CZ2-CE1 4.37Å; W14-F342 AromaticContact CZ2-CE2 3.56Å; W14-F342 HydrophobicContact CZ2-CE2 3.56Å; W14-F342 HydrophobicContact CZ2-CG 4.09Å; W14-F342 AromaticContact CZ2-CZ 3.96Å; W14-F342 HydrophobicContact CZ2-CZ 3.96Å; W14-Y369 AromaticContact CD1-CD1 3.58Å; W14-Y369 AromaticContact CD1-CE1 3.52Å; W14-Y369 AromaticContact CD1-CZ 3.91Å; W14-Y369 AromaticContact NE1-CD1 3.64Å; W14-Y369 AromaticContact NE1-CE1 3.05Å; W14-Y369 AromaticContact NE1-CZ 3.25Å; W14-Y369 VanDerWaalsContact NE1-CZ 3.25Å; W14-Y369 PolarHBondContact NE1-OH 3.35Å; W14-T371 HydrophobicContact CB-CG2 4.24Å; W14-V373 VanDerWaalsContact CB-O 3.3Å; W14-V373 WeakPolarHBondContact CB-O 3.14Å; W14-L374 HydrophobicContact CB-CD2 4.42Å; W14-L374 VanDerWaalsContact CD1-CD2 3.49Å; W14-L374 HydrophobicContact CG-CD2 4.25Å; W14-P375 HydrophobicContact CD2-CG 3.77Å; W14-P375 HydrophobicContact CE3-CG 3.92Å; W14-P375 HydrophobicContact CG-CG 4.23Å; W14-P375 HydrophobicContact CH2-CG 4.42Å; W14-P375 HydrophobicContact CZ2-CG 4.32Å; W14-P375 HydrophobicContact CZ3-CG 4.23Å; W14-L432 HydrophobicContact CH2-CD2 4.08Å; W14-I434 HydrophobicContact CH2-CD1 3.85Å; W14-I434 HydrophobicContact CH2-CG1 4.3Å; W14-I434 HydrophobicContact CH2-CG2 4.08Å; W14-I434 HydrophobicContact CZ3-CD1 3.84Å; W14-I434 HydrophobicContact CZ3-CG1 3.99Å; W14-I434 HydrophobicContact CZ3-CG2 4.37Å; W14-Y449 HydrophobicContact CE3-CG 4.49Å; W14-I451 HydrophobicContact CD2-CB 3.92Å; W14-I451 HydrophobicContact CD2-CD1 4.08Å; W14-I451 HydrophobicContact CD2-CG2 4.23Å; W14-I451 HydrophobicContact CE3-CB 3.73Å; W14-I451 HydrophobicContact CE3-CG2 3.91Å; W14-I451 HydrophobicContact CG-CB 4.49Å; W14-I451 HydrophobicContact CG-CD1 4.13Å; W14-I451 HydrophobicContact CH2-CB 4.37Å; W14-I451 HydrophobicContact CH2-CG2 3.64Å; W14-I451 HydrophobicContact CZ2-CB 4.49Å; W14-I451 HydrophobicContact CZ2-CD1 4.49Å; W14-I451 HydrophobicContact CZ2-CG2 3.93Å; W14-I451 HydrophobicContact CZ3-CB 3.99Å; W14-I451 HydrophobicContact CZ3-CG2 3.63Å
15C88.2Confident70.5Confident10 Ų1069.7 Ų69.77%0.06836%0.358CS..EExtended strand (participates in β ladder)trans-114.6124.4171.2-174.80000109.2L8 V17 Y449 L450L8-C15 HydrophobicContact CD2-CB 4.33Å; C15-V17 PolarHBondContact O-N 3.32Å; C15-Y449 CarbonylContact O-C 3.53Å; C15-Y449 VanDerWaalsContact O-CA 3.28Å; C15-Y449 WeakPolarHBondContact O-CA 3.11Å; C15-L450 PolarHBondContact N-O 2.89Å; C15-L450 PolarHBondContact O-N 3.12Å
16K88.3Confident72.2Confident94 Ų9469 Ų6941%0.40935%0.354SS..EExtended strand (participates in β ladder)trans-70.3128.1169.2-171.3166.9-175.7157.90109.3S18 V373 D447 Y449K16-S18 PolarHBondContact O-N 3.28Å; K16-V373 HydrophobicContact CB-CG1 3.87Å; K16-D447 IonicContact NZ-OD2 3.11Å; K16-Y449 HydrophobicContact CB-CD1 3.9Å; K16-Y449 HydrophobicContact CB-CE1 3.69Å; K16-Y449 HydrophobicContact CD-CE1 4.1Å; K16-Y449 HydrophobicContact CG-CD1 4.27Å; K16-Y449 HydrophobicContact CG-CE1 3.85Å
17V85.8Confident73.8Confident8 Ų870 Ų705%0.04836%0.361CS..  trans-75.495.6171.3177.40000107.3C15 F73 F433 S448 L450C15-V17 PolarHBondContact O-N 3.32Å; V17-F73 HydrophobicContact CB-CD1 4.49Å; V17-F73 HydrophobicContact CG1-CB 4.16Å; V17-F73 HydrophobicContact CG1-CD1 3.49Å; V17-F73 VanDerWaalsContact CG1-CD1 3.49Å; V17-F73 HydrophobicContact CG1-CE1 4.28Å; V17-F73 HydrophobicContact CG1-CG 4.15Å; V17-F73 HydrophobicContact CG2-CD1 4.31Å; V17-F73 HydrophobicContact CG2-CE1 4.3Å; V17-F433 HydrophobicContact CG2-CE2 4.46Å; V17-S448 PolarHBondContact N-O 2.79Å; V17-L450 HydrophobicContact CG2-CD1 3.67Å; V17-L450 HydrophobicContact CG2-CG 3.74Å
18S73Confident75.4Confident76 Ų7665.2 Ų65.253%0.53135%0.346SS..PPolyproline II helixtrans-82.8120.8172.462.40000109.1K16K16-S18 PolarHBondContact O-N 3.28Å
19Y63Low76.9Confident104 Ų10464.9 Ų64.941%0.40834%0.344SS..PPolyproline II helixtrans-84.4151.7174.757.1-90.4000111.5L21Y19-L21 HydrophobicContact CE2-CD2 3.78Å; Y19-L21 HydrophobicContact CE2-CG 4.23Å
20I54.7Low78.4Confident104 Ų10463.3 Ų63.353%0.53333%0.332SS..PPolyproline II helixtrans-79.4128.6160.8-60.4174.1000105.3E22I20-E22 HydrophobicContact CG2-CB 4.41Å; I20-E22 HydrophobicContact CG2-CG 4.25Å; I20-E22 PolarHBondContact O-N 2.97Å
21L50.8Low79.7Confident151 Ų15159 Ų5979%0.79131%0.311SS*.SBendtrans-57.65.7-175-78.6156000116Y19 G23Y19-L21 HydrophobicContact CE2-CD2 3.78Å; Y19-L21 HydrophobicContact CE2-CG 4.23Å; L21-G23 PolarHBondContact O-N 3.28Å
22E54.2Low80.9Confident135 Ų13552.4 Ų52.463%0.63129%0.286SS*.SBendtrans-86.581.7174.9-67.8175.7177.700109.5I20 K74I20-E22 HydrophobicContact CG2-CB 4.41Å; I20-E22 HydrophobicContact CG2-CG 4.25Å; I20-E22 PolarHBondContact O-N 2.97Å; E22-K74 IonicContact OE2-NZ 3.66Å; E22-K74 PolarHBondContact OE2-NZ 3.36Å
23G59.6Low82Confident51 Ų5152.2 Ų52.253%0.52628%0.281SS..SBendtrans158.3159.2173.100000113.8L21 S25L21-G23 PolarHBondContact O-N 3.28Å; G23-S25 PolarHBondContact O-N 3.01Å
24K74.7Confident82.6Confident151 Ų15151.5 Ų51.566%0.65728%0.276SS*.  trans-76.6105.2167.9-71.9-178.6179.2177.10108.3Y66 T77K24-Y66 HydrophobicContact CB-CE1 4.43Å; K24-T77 HydrophobicContact CB-CG2 4.16Å; K24-T77 HydrophobicContact CD-CG2 3.94Å
25S85.7Confident82.9Confident28 Ų2852.6 Ų52.620%0.19628%0.282CS..PPolyproline II helixtrans-78.4146.5170.9-171.10000110G23 L27G23-S25 PolarHBondContact O-N 3.01Å; S25-L27 PolarHBondContact O-N 3.3Å
26P93.5Very high83.1Confident1 Ų153.3 Ų53.31%0.00629%0.288CS..PPolyproline II helixtrans-55.3138.1168.6-20.129000110.9M52 Y66 W75P26-M52 HydrophobicContact CB-SD 3.77Å; P26-M52 HydrophobicContact CG-CE 4.36Å; P26-M52 HydrophobicContact CG-SD 3.82Å; P26-Y66 HydrophobicContact CB-CD2 4.14Å; P26-Y66 HydrophobicContact CB-CE2 4.18Å; P26-Y66 HydrophobicContact CB-CG 4.42Å; P26-Y66 HydrophobicContact CG-CD1 3.93Å; P26-Y66 HydrophobicContact CG-CD2 3.91Å; P26-Y66 HydrophobicContact CG-CE1 4.35Å; P26-Y66 HydrophobicContact CG-CE2 4.34Å; P26-Y66 HydrophobicContact CG-CG 3.71Å; P26-W75 HydrophobicContact CG-CD2 3.82Å; P26-W75 HydrophobicContact CG-CE3 3.82Å; P26-W75 HydrophobicContact CG-CG 4.41Å; P26-W75 HydrophobicContact CG-CH2 4.15Å; P26-W75 HydrophobicContact CG-CZ2 4.16Å; P26-W75 HydrophobicContact CG-CZ3 3.97Å
27L94.9Very high83.2Confident100 Ų10049 Ų4952%0.52427%0.27SS..PPolyproline II helixtrans-68.5164.7169.8-63.5178.8000112S25 R29 F62S25-L27 PolarHBondContact O-N 3.3Å; L27-R29 VanDerWaalsContact N-NH2 3.19Å; L27-R29 WeakPolarHBondContact O-CG 2.94Å; L27-R29 PolarHBondContact O-N 2.76Å; L27-R29 PolarHBondContact O-NE 3.18Å; L27-F62 HydrophobicContact CB-CE1 4.35Å; L27-F62 HydrophobicContact CB-CZ 4.14Å; L27-F62 HydrophobicContact CD1-CE1 4.03Å; L27-F62 HydrophobicContact CD1-CZ 4.41Å
28A97.1Very high82.9Confident27 Ų2753.4 Ų53.422%0.22329%0.285CS..SBendtrans-57.4131.1172.700000110.8M444 F445 D446A28-M444 HydrophobicContact CB-CB 3.9Å; A28-F445 WeakPolarHBondContact CA-O 3.19Å; A28-F445 WeakPolarHBondContact CB-O 3.32Å; A28-D446 HydrophobicContact CB-CB 3.98Å
29R97.8Very high82.8Confident0 Ų050.6 Ų50.60%027%0.265CS..  trans-159.5154.7-170.663-174.570.5-152.5-5.1113.3L27 H32 G54 A56 F62 E64 G437 F445L27-R29 VanDerWaalsContact N-NH2 3.19Å; L27-R29 WeakPolarHBondContact O-CG 2.94Å; L27-R29 PolarHBondContact O-N 2.76Å; L27-R29 PolarHBondContact O-NE 3.18Å; R29-H32 HydrophobicContact CG-CB 4.36Å; R29-H32 PolarHBondContact O-CE1 3.33Å; R29-G54 PolarHBondContact NH1-O 3.44Å; R29-A56 WeakPolarHBondContact CA-O 3.21Å; R29-F62 HydrophobicContact CB-CD2 3.89Å; R29-F62 HydrophobicContact CB-CE2 3.55Å; R29-E64 IonicContact CZ-OE1 2.73Å; R29-E64 IonicContact NH1-OE1 3.51Å; R29-E64 PolarHBondContact NH1-OE1 3.43Å; R29-E64 IonicContact NH2-OE1 3.58Å; R29-E64 PolarHBondContact NH2-OE1 2.87Å; R29-G437 PolarHBondContact O-N 3.04Å; R29-F445 PolarHBondContact N-O 2.6Å
30V97.5Very high83.1Confident15 Ų1551.7 Ų51.79%0.09127%0.274CS..BIsolated β-bridgetrans-124.7156.3176.6-63.80000111.3H32 G55 A56 D380 M438 M444V30-H32 PolarHBondContact O-N 3.02Å; V30-H32 VanDerWaalsContact O-N 3.14Å; V30-G55 CarbonylContact O-C 3.52Å; V30-G55 WeakPolarHBondContact O-CA 3.21Å; V30-A56 WeakPolarHBondContact CG2-O 3.45Å; V30-A56 PolarHBondContact N-O 2.92Å; V30-A56 PolarHBondContact O-N 2.76Å; V30-D380 CarbonylContact C-O 3.52Å; V30-D380 WeakPolarHBondContact CA-O 3.41Å; V30-D380 HydrophobicContact CB-CB 3.93Å; V30-D380 HydrophobicContact CG1-CB 4.35Å; V30-M438 HydrophobicContact CG1-CB 3.69Å; V30-M438 HydrophobicContact CG1-CG 3.64Å; V30-M438 HydrophobicContact CG1-SD 3.87Å; V30-M444 HydrophobicContact CG1-CG 4.25Å; V30-M444 HydrophobicContact CG2-CE 4.36Å
31G96.8Very high83.5Confident1 Ų147.1 Ų47.11%0.0125%0.251CS..SBendtrans6420175.300000114.3Y92 E93 D380G31-Y92 CarbonylContact O-C 3.6Å; G31-Y92 WeakPolarHBondContact O-CA 3.47Å; G31-E93 PolarHBondContact O-N 3.46Å; G31-D380 PolarHBondContact N-O 2.87Å
32H97.5Very high84Confident5 Ų541.6 Ų41.62%0.02323%0.231CC..  trans-85.7169.4171.658.9-59.8000109.8R29 V30 I53 G54 A382 H435R29-H32 HydrophobicContact CG-CB 4.36Å; R29-H32 PolarHBondContact O-CE1 3.33Å; V30-H32 PolarHBondContact O-N 3.02Å; V30-H32 VanDerWaalsContact O-N 3.14Å; H32-I53 WeakPolarHBondContact CB-O 3.31Å; H32-G54 WeakPolarHBondContact CB-O 3.31Å; H32-A382 WeakPolarHBondContact CD2-CB 3.32Å; H32-A382 PolarHBondContact CE1-N 3.09Å; H32-A382 WeakPolarHBondContact NE2-CB 3.24Å; H32-A382 WeakPolarHBondContact O-CB 3.41Å; H32-H435 AromaticContact CD2-ND1 3.78Å; H32-H435 AromaticContact CE1-ND1 3.6Å; H32-H435 PolarHBondContact CE1-O 2.78Å; H32-H435 AromaticContact NE2-CE1 3.78Å; H32-H435 AromaticContact NE2-CG 3.72Å; H32-H435 AromaticContact NE2-ND1 2.84Å; H32-H435 PolarHBondContact NE2-ND1 3.16Å; H32-H435 PolarHBondContact NE2-O 3.42Å; H32-H435 VanDerWaalsContact NE2-O 3.16Å
33S96.5Very high84.1Confident14 Ų1443.7 Ų43.710%0.09825%0.246CC..EExtended strand (participates in β ladder)trans-125.7155.3173.166.90000111.8M52 I53 H94 S96S33-M52 WeakPolarHBondContact O-CA 3.1Å; S33-I53 PolarHBondContact N-O 3.17Å; S33-I53 VanDerWaalsContact N-O 3.15Å; S33-I53 PolarHBondContact O-N 2.81Å; S33-I53 WeakPolarHBondContact OG-CD1 3.19Å; S33-I53 WeakPolarHBondContact OG-CG1 3.46Å; S33-H94 PolarHBondContact OG-NE2 3.36Å; S33-S96 WeakPolarHBondContact CB-OG 3.4Å; S33-S96 PolarHBondContact OG-OG 3.21Å
34T96.3Very high83.9Confident2 Ų244.9 Ų44.91%0.01224%0.243CC..EExtended strand (participates in β ladder)trans-130.7144.1174.552.90000109.8I50 I51 M52 A382 Y383 C384 F433T34-I50 HydrophobicContact CG2-CG2 4.21Å; T34-I51 CarbonylContact C-O 3.42Å; T34-I51 WeakPolarHBondContact CA-O 3.4Å; T34-M52 HydrophobicContact CG2-CB 4.01Å; T34-M52 HydrophobicContact CG2-CE 3.77Å; T34-M52 HydrophobicContact CG2-CG 4.04Å; T34-A382 HydrophobicContact CG2-CB 3.59Å; T34-Y383 WeakPolarHBondContact OG1-CA 3.46Å; T34-Y383 PolarHBondContact OG1-N 3.36Å; T34-Y383 PolarHBondContact OG1-O 3.43Å; T34-C384 WeakPolarHBondContact O-CB 3.41Å; T34-F433 HydrophobicContact CG2-CD1 4.42Å; T34-F433 HydrophobicContact CG2-CE1 3.99Å
35H94.7Very high83.3Confident28 Ų2838 Ų3813%0.1322%0.215CC..EExtended strand (participates in β ladder)trans-137.1139.2175.1-69.2-78.9000110.3I50 I51 S96 I98 L104H35-I50 CarbonylContact O-C 3.6Å; H35-I50 WeakPolarHBondContact O-CA 3.26Å; H35-I51 HydrophobicContact CB-CG2 3.93Å; H35-I51 PolarHBondContact N-O 2.8Å; H35-I51 PolarHBondContact O-N 3.24Å; H35-S96 PolarHBondContact CE1-O 3.43Å; H35-S96 WeakPolarHBondContact NE2-CB 3.48Å; H35-S96 PolarHBondContact NE2-O 3.1Å; H35-S96 PolarHBondContact NE2-OG 3.33Å; H35-I98 HydrophobicContact CB-CB 4.34Å; H35-L104 HydrophobicContact CB-CD2 4.24Å
36A92.7Very high82.6Confident25 Ų2538.3 Ų38.321%0.20722%0.215CC..EExtended strand (participates in β ladder)trans-73.5129.7168.300000108.9L49 T385 F386A36-L49 WeakPolarHBondContact CA-O 3.42Å; A36-T385 WeakPolarHBondContact CB-O 3.45Å; A36-F386 HydrophobicContact CB-CB 3.59Å
37I89.4Confident81.6Confident4 Ų440.1 Ų40.12%0.02122%0.221CC..EExtended strand (participates in β ladder)trans-129160.6178.468.3175000109.8V39 L49 I51 I67 I98 L104 I124I37-V39 HydrophobicContact CD1-CG2 3.64Å; I37-V39 HydrophobicContact CG1-CG2 4.13Å; I37-L49 HydrophobicContact CD1-CB 4.15Å; I37-L49 HydrophobicContact CD1-CD1 4.42Å; I37-L49 HydrophobicContact CG1-CB 3.68Å; I37-L49 PolarHBondContact N-O 2.83Å; I37-L49 PolarHBondContact O-N 2.83Å; I37-I51 HydrophobicContact CD1-CB 4.28Å; I37-I51 HydrophobicContact CG2-CG2 3.8Å; I37-I67 HydrophobicContact CD1-CD1 3.5Å; I37-I67 VanDerWaalsContact CD1-CD1 3.5Å; I37-I98 HydrophobicContact CG2-CD1 3.84Å; I37-I98 HydrophobicContact CG2-CG1 4.45Å; I37-L104 HydrophobicContact CG2-CD1 4.14Å; I37-I124 HydrophobicContact CD1-CD1 3.26Å; I37-I124 HydrophobicContact CD1-CG2 4.42Å; I37-I124 HydrophobicContact CG1-CD1 4.48Å; I37-I124 HydrophobicContact CG2-CD1 4.18Å
38R79.4Confident81Confident100 Ų10036.4 Ų36.438%0.37720%0.203SC..EExtended strand (participates in β ladder)trans-123.9119.5169.1-64.7176.5-178.5155.11107.9N46 Q102R38-N46 HydrophobicContact CB-CB 4.32Å; R38-Q102 WeakPolarHBondContact O-CG 3.4Å
39V72.6Confident80.6Confident17 Ų1735.4 Ų35.410%0.10319%0.194CC..EExtended strand (participates in β ladder)trans-120133.8176.1-169.20000108.1I37 C41 R47 L49 I124 C126I37-V39 HydrophobicContact CD1-CG2 3.64Å; I37-V39 HydrophobicContact CG1-CG2 4.13Å; V39-C41 PolarHBondContact O-N 2.99Å; V39-R47 PolarHBondContact O-N 3.35Å; V39-L49 HydrophobicContact CB-CD1 4.18Å; V39-L49 HydrophobicContact CG2-CD1 4.13Å; V39-I124 HydrophobicContact CG2-CG2 4.03Å; V39-C126 HydrophobicContact CG1-CB 3.52Å
40E69Low80.4Confident127 Ų12735.4 Ų35.459%0.59319%0.194SC*.EExtended strand (participates in β ladder)trans-71109169.9-171.5173.6-163.900107.9
41C61.9Low80.2Confident7 Ų734.8 Ų34.85%0.04719%0.19CC..  trans-115.199.8176.7-75.70000109.4V39 T44 R47 C126V39-C41 PolarHBondContact O-N 2.99Å; C41-T44 PolarHBondContact O-OG1 3.12Å; C41-R47 HydrophobicContact CB-CG 4.45Å; C41-C126 VanDerWaalsContact CA-SG 3.6Å; C41-C126 HydrophobicContact CB-CB 4.21Å; C41-C126 WeakPolarHBondContact CB-SG 3.31Å; C41-C126 WeakPolarHBondContact SG-CB 3.45Å; C41-C126 CovalentContact SG-SG 2.06Å; C41-C126 PolarHBondContact SG-SG 2.86Å
42G62.8Low80.2Confident36 Ų3634.7 Ų34.737%0.37119%0.19SC..G310 helixtrans55.2-148.2179.600000113.3T44G42-T44 PolarHBondContact O-N 3.11Å
43D56.1Low80.1Confident178 Ų17834.6 Ų34.695%0.95219%0.189SC*.G310 helixtrans-74.4-5.5-175.3-60.8-34.4000114.4G45D43-G45 VanDerWaalsContact C-N 3.28Å; D43-G45 PolarHBondContact O-N 3.34Å
44T54.6Low80.1Confident76 Ų7634 Ų3447%0.46619%0.185SC..G310 helixtrans-81.8-0.5-17356.40000114.7C41 G42 R47C41-T44 PolarHBondContact O-OG1 3.12Å; G42-T44 PolarHBondContact O-N 3.11Å; T44-R47 PolarHBondContact OG1-NE 3.22Å; T44-R47 PolarHBondContact OG1-NH2 2.82Å
45G63.1Low80.1Confident6 Ų633.9 Ų33.96%0.06218%0.184CC..  trans73.1-162-176.300000113.2D43 R47D43-G45 VanDerWaalsContact C-N 3.28Å; D43-G45 PolarHBondContact O-N 3.34Å; G45-R47 PolarHBondContact O-N 2.99Å
46N69.2Low80.3Confident36 Ų3633 Ų3319%0.19318%0.181CC..EExtended strand (participates in β ladder)trans-72108.8-176.3-74.1-15.9000111R38 N409R38-N46 HydrophobicContact CB-CB 4.32Å; N46-N409 PolarHBondContact ND2-ND2 3.09Å
47R74.2Confident80.5Confident39 Ų3933.8 Ų33.815%0.14718%0.182CC..EExtended strand (participates in β ladder)trans-80.1136.1174.8-63.1-169.3-171.2171.610.6110.5V39 C41 T44 G45 L49 E139V39-R47 PolarHBondContact O-N 3.35Å; C41-R47 HydrophobicContact CB-CG 4.45Å; T44-R47 PolarHBondContact OG1-NE 3.22Å; T44-R47 PolarHBondContact OG1-NH2 2.82Å; G45-R47 PolarHBondContact O-N 2.99Å; R47-L49 HydrophobicContact CB-CD2 4.18Å; R47-L49 HydrophobicContact CB-CG 4.18Å; R47-L49 PolarHBondContact O-N 2.84Å; R47-E139 IonicContact CZ-OE1 2.62Å; R47-E139 IonicContact CZ-OE2 3.47Å; R47-E139 IonicContact NH1-OE1 3.76Å; R47-E139 PolarHBondContact NH1-OE1 3.28Å; R47-E139 IonicContact NH1-OE2 3.67Å; R47-E139 PolarHBondContact NH1-OE2 2.86Å; R47-E139 IonicContact NH2-OE1 3.82Å; R47-E139 PolarHBondContact NH2-OE1 3.33Å; R47-E139 IonicContact NH2-OE2 2.79Å
48P81.1Confident80.7Confident22 Ų2238.5 Ų38.514%0.14322%0.222CC..EExtended strand (participates in β ladder)trans-77113.1172.832.1-32.1000109I70 L388 F403P48-I70 HydrophobicContact CB-CB 4.38Å; P48-I70 HydrophobicContact CB-CD1 3.93Å; P48-I70 HydrophobicContact CG-CB 4.32Å; P48-I70 WeakPolarHBondContact O-CB 3.39Å; P48-I70 WeakPolarHBondContact O-CG1 3.2Å; P48-I70 PolarHBondContact O-N 2.98Å; P48-L388 HydrophobicContact CB-CD2 3.82Å; P48-L388 HydrophobicContact CG-CD2 3.98Å; P48-F403 HydrophobicContact CG-CE1 4.38Å
49L89.1Confident81.5Confident6 Ų639 Ų393%0.03124%0.24CC..EExtended strand (participates in β ladder)trans-126.1156.3-176.3-57.6175.3000110.3A36 I37 V39 R47 I67 L68 D69A36-L49 WeakPolarHBondContact CA-O 3.42Å; I37-L49 HydrophobicContact CD1-CB 4.15Å; I37-L49 HydrophobicContact CD1-CD1 4.42Å; I37-L49 HydrophobicContact CG1-CB 3.68Å; I37-L49 PolarHBondContact N-O 2.83Å; I37-L49 PolarHBondContact O-N 2.83Å; V39-L49 HydrophobicContact CB-CD1 4.18Å; V39-L49 HydrophobicContact CG2-CD1 4.13Å; R47-L49 HydrophobicContact CB-CD2 4.18Å; R47-L49 HydrophobicContact CB-CG 4.18Å; R47-L49 PolarHBondContact O-N 2.84Å; L49-I67 HydrophobicContact CB-CG2 4.08Å; L49-I67 HydrophobicContact CD1-CG2 4.1Å; L49-I67 HydrophobicContact CD2-CG2 4.01Å; L49-I67 HydrophobicContact CG-CG2 4.28Å; L49-L68 CarbonylContact C-O 3.56Å; L49-L68 WeakPolarHBondContact CA-O 3.05Å; L49-D69 HydrophobicContact CD2-CB 4.01Å
50I93Very high82.6Confident0 Ų039.4 Ų39.40%025%0.248CC..EExtended strand (participates in β ladder)trans-120120.1169.1-55.3-177.7000108.2T34 H35 I67 L68 I70 F386 F433T34-I50 HydrophobicContact CG2-CG2 4.21Å; H35-I50 CarbonylContact O-C 3.6Å; H35-I50 WeakPolarHBondContact O-CA 3.26Å; I50-I67 CarbonylContact O-C 3.57Å; I50-I67 WeakPolarHBondContact O-CA 3.14Å; I50-L68 HydrophobicContact CB-CB 4.23Å; I50-L68 HydrophobicContact CD1-CD2 4.35Å; I50-L68 PolarHBondContact N-O 3.16Å; I50-L68 PolarHBondContact O-N 3.33Å; I50-I70 HydrophobicContact CD1-CD1 4.12Å; I50-I70 HydrophobicContact CD1-CG1 4.17Å; I50-I70 HydrophobicContact CG1-CD1 3.72Å; I50-I70 HydrophobicContact CG1-CG1 3.93Å; I50-F386 HydrophobicContact CD1-CD1 4.08Å; I50-F386 HydrophobicContact CD1-CE1 3.94Å; I50-F433 HydrophobicContact CD1-CB 3.71Å; I50-F433 HydrophobicContact CD1-CD1 3.72Å; I50-F433 HydrophobicContact CD1-CD2 3.77Å; I50-F433 HydrophobicContact CD1-CE1 4.23Å; I50-F433 HydrophobicContact CD1-CE2 4.26Å; I50-F433 HydrophobicContact CD1-CG 3.45Å; I50-F433 VanDerWaalsContact CD1-CG 3.45Å; I50-F433 HydrophobicContact CD1-CZ 4.47Å; I50-F433 HydrophobicContact CG2-CD1 4.13Å; I50-F433 HydrophobicContact CG2-CE1 4.14Å
51I94.6Very high84Confident1 Ų135 Ų351%0.00523%0.23CC..EExtended strand (participates in β ladder)trans-85.7143.2168.3-172.5166.5000110.1T34 H35 I37 I53 Y66 I67 L104 L122 I124T34-I51 CarbonylContact C-O 3.42Å; T34-I51 WeakPolarHBondContact CA-O 3.4Å; H35-I51 HydrophobicContact CB-CG2 3.93Å; H35-I51 PolarHBondContact N-O 2.8Å; H35-I51 PolarHBondContact O-N 3.24Å; I37-I51 HydrophobicContact CD1-CB 4.28Å; I37-I51 HydrophobicContact CG2-CG2 3.8Å; I51-I53 HydrophobicContact CD1-CG2 4.05Å; I51-I53 HydrophobicContact CG1-CG2 4.04Å; I51-Y66 CarbonylContact C-O 3.46Å; I51-Y66 VanDerWaalsContact CA-O 3.31Å; I51-Y66 WeakPolarHBondContact CA-O 3.49Å; I51-I67 HydrophobicContact CB-CD1 3.63Å; I51-I67 HydrophobicContact CD1-CD1 4.37Å; I51-I67 HydrophobicContact CG1-CD1 3.98Å; I51-L104 HydrophobicContact CD1-CD2 4.49Å; I51-L104 HydrophobicContact CG2-CD1 4.03Å; I51-L104 HydrophobicContact CG2-CD2 3.59Å; I51-L104 HydrophobicContact CG2-CG 4.43Å; I51-L122 HydrophobicContact CD1-CD2 3.66Å; I51-I124 HydrophobicContact CB-CD1 4.3Å; I51-I124 HydrophobicContact CD1-CD1 3.49Å; I51-I124 VanDerWaalsContact CD1-CD1 3.49Å; I51-I124 HydrophobicContact CD1-CG1 4.05Å; I51-I124 HydrophobicContact CG1-CD1 4.45Å; I51-I124 HydrophobicContact CG2-CD1 4.42Å
52M96Very high85.6Confident0 Ų035.7 Ų35.70%023%0.233CC..EExtended strand (participates in β ladder)trans-123.2134.1171.4-178.1-179.6-70.300109.8P26 S33 T34 A65 Y66 W75 H435P26-M52 HydrophobicContact CB-SD 3.77Å; P26-M52 HydrophobicContact CG-CE 4.36Å; P26-M52 HydrophobicContact CG-SD 3.82Å; S33-M52 WeakPolarHBondContact O-CA 3.1Å; T34-M52 HydrophobicContact CG2-CB 4.01Å; T34-M52 HydrophobicContact CG2-CE 3.77Å; T34-M52 HydrophobicContact CG2-CG 4.04Å; M52-A65 CarbonylContact O-C 3.52Å; M52-A65 VanDerWaalsContact O-CA 3.22Å; M52-A65 WeakPolarHBondContact O-CA 3.32Å; M52-Y66 PolarHBondContact N-O 3.31Å; M52-Y66 PolarHBondContact O-N 2.88Å; M52-W75 HydrophobicContact CB-CH2 4.43Å; M52-W75 HydrophobicContact CB-CZ3 4.14Å; M52-W75 HydrophobicContact CE-CH2 3.5Å; M52-W75 VanDerWaalsContact CE-CH2 3.5Å; M52-W75 HydrophobicContact CE-CZ2 4.16Å; M52-W75 HydrophobicContact CE-CZ3 4.19Å; M52-W75 HydrophobicContact SD-CH2 4.46Å; M52-H435 HydrophobicContact CE-CB 3.58Å; M52-H435 WeakPolarHBondContact CE-CD2 3.12Å; M52-H435 WeakPolarHBondContact CE-ND1 3.41Å
53I96.1Very high87.1Confident3 Ų337.7 Ų37.72%0.01524%0.235CC..EExtended strand (participates in β ladder)trans-133.6143.1179.359.3169.4000112.2H32 S33 I51 A65 L89 L104 I106 L122H32-I53 WeakPolarHBondContact CB-O 3.31Å; S33-I53 PolarHBondContact N-O 3.17Å; S33-I53 VanDerWaalsContact N-O 3.15Å; S33-I53 PolarHBondContact O-N 2.81Å; S33-I53 WeakPolarHBondContact OG-CD1 3.19Å; S33-I53 WeakPolarHBondContact OG-CG1 3.46Å; I51-I53 HydrophobicContact CD1-CG2 4.05Å; I51-I53 HydrophobicContact CG1-CG2 4.04Å; I53-A65 HydrophobicContact CG2-CB 3.96Å; I53-L89 HydrophobicContact CB-CD1 4.45Å; I53-L89 HydrophobicContact CG2-CD1 4.12Å; I53-L104 HydrophobicContact CD1-CD2 4.4Å; I53-I106 HydrophobicContact CD1-CD1 3.42Å; I53-I106 VanDerWaalsContact CD1-CD1 3.42Å; I53-I106 HydrophobicContact CD1-CG1 3.54Å; I53-L122 HydrophobicContact CG2-CD2 3.92Å
54G95.8Very high88.9Confident0 Ų031.8 Ų31.80%020%0.201CC..  trans65.2-147.6170.100000114.2R29 H32 F62 E64 L89R29-G54 PolarHBondContact NH1-O 3.44Å; H32-G54 WeakPolarHBondContact CB-O 3.31Å; G54-F62 WeakPolarHBondContact CA-O 3.31Å; G54-E64 PolarHBondContact N-O 2.79Å; G54-L89 WeakPolarHBondContact CA-O 3.41Å
55G97.4Very high90.7Very high0 Ų028.2 Ų28.20%018%0.18CC..  trans95.8176.2-172.100000112.8V30 V61 F62 R91V30-G55 CarbonylContact O-C 3.52Å; V30-G55 WeakPolarHBondContact O-CA 3.21Å; G55-V61 CarbonylContact O-C 3.58Å; G55-V61 WeakPolarHBondContact O-CA 3.49Å; G55-F62 PolarHBondContact O-N 3.5Å; G55-R91 PolarHBondContact N-O 3.12Å
56A97.5Very high92.2Very high9 Ų928.6 Ų28.67%0.07418%0.179CC..BIsolated β-bridgetrans-140.3160.617600000111.7R29 V30 G60 V61 Y92R29-A56 WeakPolarHBondContact CA-O 3.21Å; V30-A56 WeakPolarHBondContact CG2-O 3.45Å; V30-A56 PolarHBondContact N-O 2.92Å; V30-A56 PolarHBondContact O-N 2.76Å; A56-G60 CarbonylContact C-O 3.57Å; A56-G60 WeakPolarHBondContact CA-O 3.41Å; A56-G60 WeakPolarHBondContact CB-O 3.04Å; A56-V61 HydrophobicContact CB-CG1 4.24Å; A56-Y92 HydrophobicContact CB-CD1 4.08Å; A56-Y92 HydrophobicContact CB-CD2 4.46Å; A56-Y92 HydrophobicContact CB-CG 3.87Å
57D97.1Very high93.3Very high42 Ų4226.9 Ų26.923%0.22517%0.17CC..  trans-126.8-167.2162.172.43.1000110.3S59 G60 F62 M444D57-S59 PolarHBondContact O-N 3.29Å; D57-S59 VanDerWaalsContact OD1-CA 3.31Å; D57-S59 WeakPolarHBondContact OD1-CA 3.45Å; D57-S59 VanDerWaalsContact OD1-CB 3.26Å; D57-S59 WeakPolarHBondContact OD1-CB 3.4Å; D57-S59 PolarHBondContact OD1-N 3.34Å; D57-S59 PolarHBondContact OD1-OG 2.96Å; D57-S59 PolarHBondContact OD2-OG 2.79Å; D57-G60 PolarHBondContact N-O 2.86Å; D57-G60 PolarHBondContact O-N 3.19Å; D57-G60 PolarHBondContact OD1-N 3.03Å; D57-G60 VanDerWaalsContact OD1-N 3.14Å; D57-F62 HydrophobicContact CB-CE2 3.93Å; D57-F62 HydrophobicContact CB-CZ 3.89Å; D57-F62 WeakPolarHBondContact OD2-CZ 3.36Å; D57-M444 HydrophobicContact CB-SD 3.78Å
58A94.3Very high94Very high104 Ų10425 Ų2586%0.8616%0.163SC*.SBendtrans-65.4-17.5177.700000114.1
59S95.6Very high94.2Very high109 Ų10924.6 Ų24.676%0.76216%0.16SC*.SBendtrans-89.8-25.6-179.879.20000113.2D57D57-S59 PolarHBondContact O-N 3.29Å; D57-S59 VanDerWaalsContact OD1-CA 3.31Å; D57-S59 WeakPolarHBondContact OD1-CA 3.45Å; D57-S59 VanDerWaalsContact OD1-CB 3.26Å; D57-S59 WeakPolarHBondContact OD1-CB 3.4Å; D57-S59 PolarHBondContact OD1-N 3.34Å; D57-S59 PolarHBondContact OD1-OG 2.96Å; D57-S59 PolarHBondContact OD2-OG 2.79Å
60G96.5Very high94Very high26 Ų2624.4 Ų24.427%0.26816%0.159SC..  trans151.7-160.9177.200000113.2A56 D57A56-G60 CarbonylContact C-O 3.57Å; A56-G60 WeakPolarHBondContact CA-O 3.41Å; A56-G60 WeakPolarHBondContact CB-O 3.04Å; D57-G60 PolarHBondContact N-O 2.86Å; D57-G60 PolarHBondContact O-N 3.19Å; D57-G60 PolarHBondContact OD1-N 3.03Å; D57-G60 VanDerWaalsContact OD1-N 3.14Å
61V97.7Very high93.3Very high36 Ų3625.8 Ų25.822%0.21817%0.167CC..BIsolated β-bridgetrans-87.3145.4178.5-65.60000111.6G55 A56 F86 G90 Y92G55-V61 CarbonylContact O-C 3.58Å; G55-V61 WeakPolarHBondContact O-CA 3.49Å; A56-V61 HydrophobicContact CB-CG1 4.24Å; V61-F86 HydrophobicContact CG2-CE2 4.07Å; V61-F86 HydrophobicContact CG2-CZ 4.14Å; V61-G90 WeakPolarHBondContact CG2-O 3.19Å; V61-Y92 HydrophobicContact CG1-CD1 3.75Å; V61-Y92 HydrophobicContact CG1-CE1 4.41Å
62F96.4Very high92.6Very high21 Ų2127.3 Ų27.39%0.09218%0.178CC..  trans-89.8116.1174.6-65.8-68.5000110.3L27 R29 G54 G55 D57 E64 G90L27-F62 HydrophobicContact CB-CE1 4.35Å; L27-F62 HydrophobicContact CB-CZ 4.14Å; L27-F62 HydrophobicContact CD1-CE1 4.03Å; L27-F62 HydrophobicContact CD1-CZ 4.41Å; R29-F62 HydrophobicContact CB-CD2 3.89Å; R29-F62 HydrophobicContact CB-CE2 3.55Å; G54-F62 WeakPolarHBondContact CA-O 3.31Å; G55-F62 PolarHBondContact O-N 3.5Å; D57-F62 HydrophobicContact CB-CE2 3.93Å; D57-F62 HydrophobicContact CB-CZ 3.89Å; D57-F62 WeakPolarHBondContact OD2-CZ 3.36Å; F62-E64 HydrophobicContact CB-CG 3.9Å; F62-E64 WeakPolarHBondContact CD1-OE1 3.48Å; F62-E64 PolarHBondContact O-N 3.3Å; F62-G90 WeakPolarHBondContact O-CA 3.48Å
63D94.5Very high91.9Very high77 Ų7727.8 Ų27.841%0.41218%0.18SC..  trans-98.358.4175.8-166.717.5000111.1L89 G90D63-L89 WeakPolarHBondContact OD1-CA 3.33Å; D63-L89 PolarHBondContact OD1-N 3.15Å; D63-G90 PolarHBondContact OD1-N 3.22Å
64E92.3Very high91.4Very high54 Ų5430 Ų3025%0.25219%0.19SC..  trans-148.3161.4-172.750.2173.6-167.100111R29 G54 F62 Y66R29-E64 IonicContact CZ-OE1 2.73Å; R29-E64 IonicContact NH1-OE1 3.51Å; R29-E64 PolarHBondContact NH1-OE1 3.43Å; R29-E64 IonicContact NH2-OE1 3.58Å; R29-E64 PolarHBondContact NH2-OE1 2.87Å; G54-E64 PolarHBondContact N-O 2.79Å; F62-E64 HydrophobicContact CB-CG 3.9Å; F62-E64 WeakPolarHBondContact CD1-OE1 3.48Å; F62-E64 PolarHBondContact O-N 3.3Å; E64-Y66 HydrophobicContact CB-CE2 4.46Å; E64-Y66 VanDerWaalsContact CD-OH 3.29Å; E64-Y66 HydrophobicContact CG-CE2 3.92Å; E64-Y66 VanDerWaalsContact OE1-CE2 3.3Å; E64-Y66 WeakPolarHBondContact OE1-CE2 3.43Å; E64-Y66 PolarHBondContact OE1-OH 3.48Å; E64-Y66 WeakPolarHBondContact OE2-CE2 3.19Å; E64-Y66 PolarHBondContact OE2-OH 3.3Å
65A94.2Very high91Very high2 Ų230.7 Ų30.72%0.01719%0.192CC..EExtended strand (participates in β ladder)trans-130.5145.4173.600000110.8M52 I53 V78 L89M52-A65 CarbonylContact O-C 3.52Å; M52-A65 VanDerWaalsContact O-CA 3.22Å; M52-A65 WeakPolarHBondContact O-CA 3.32Å; I53-A65 HydrophobicContact CG2-CB 3.96Å; A65-V78 HydrophobicContact CB-CB 3.89Å; A65-V78 HydrophobicContact CB-CG2 4.11Å; A65-V78 PolarHBondContact O-N 3.39Å; A65-L89 HydrophobicContact CB-CD1 3.71Å
66Y93.6Very high90.5Very high13 Ų1333.6 Ų33.65%0.05120%0.204CC..EExtended strand (participates in β ladder)trans-125.5155176.2-67.1-97.4000111.3K24 P26 I51 M52 E64 Y76 T77K24-Y66 HydrophobicContact CB-CE1 4.43Å; P26-Y66 HydrophobicContact CB-CD2 4.14Å; P26-Y66 HydrophobicContact CB-CE2 4.18Å; P26-Y66 HydrophobicContact CB-CG 4.42Å; P26-Y66 HydrophobicContact CG-CD1 3.93Å; P26-Y66 HydrophobicContact CG-CD2 3.91Å; P26-Y66 HydrophobicContact CG-CE1 4.35Å; P26-Y66 HydrophobicContact CG-CE2 4.34Å; P26-Y66 HydrophobicContact CG-CG 3.71Å; I51-Y66 CarbonylContact C-O 3.46Å; I51-Y66 VanDerWaalsContact CA-O 3.31Å; I51-Y66 WeakPolarHBondContact CA-O 3.49Å; M52-Y66 PolarHBondContact N-O 3.31Å; M52-Y66 PolarHBondContact O-N 2.88Å; E64-Y66 HydrophobicContact CB-CE2 4.46Å; E64-Y66 VanDerWaalsContact CD-OH 3.29Å; E64-Y66 HydrophobicContact CG-CE2 3.92Å; E64-Y66 VanDerWaalsContact OE1-CE2 3.3Å; E64-Y66 WeakPolarHBondContact OE1-CE2 3.43Å; E64-Y66 PolarHBondContact OE1-OH 3.48Å; E64-Y66 WeakPolarHBondContact OE2-CE2 3.19Å; E64-Y66 PolarHBondContact OE2-OH 3.3Å; Y66-Y76 CarbonylContact C-O 3.55Å; Y66-Y76 VanDerWaalsContact CA-O 3.26Å; Y66-Y76 WeakPolarHBondContact CA-O 3.26Å; Y66-T77 HydrophobicContact CD1-CG2 4.13Å; Y66-T77 HydrophobicContact CE1-CG2 3.7Å
67I91.7Very high90.1Very high0 Ų035.8 Ų35.80%022%0.216CC..EExtended strand (participates in β ladder)trans-121.7126.8171-68.9-79.5000109I37 L49 I50 I51 W75 Y76 V78 I141I37-I67 HydrophobicContact CD1-CD1 3.5Å; I37-I67 VanDerWaalsContact CD1-CD1 3.5Å; L49-I67 HydrophobicContact CB-CG2 4.08Å; L49-I67 HydrophobicContact CD1-CG2 4.1Å; L49-I67 HydrophobicContact CD2-CG2 4.01Å; L49-I67 HydrophobicContact CG-CG2 4.28Å; I50-I67 CarbonylContact O-C 3.57Å; I50-I67 WeakPolarHBondContact O-CA 3.14Å; I51-I67 HydrophobicContact CB-CD1 3.63Å; I51-I67 HydrophobicContact CD1-CD1 4.37Å; I51-I67 HydrophobicContact CG1-CD1 3.98Å; I67-W75 CarbonylContact O-C 3.56Å; I67-W75 VanDerWaalsContact O-CA 3.31Å; I67-W75 WeakPolarHBondContact O-CA 3.13Å; I67-Y76 PolarHBondContact N-O 3.37Å; I67-Y76 PolarHBondContact O-N 2.75Å; I67-V78 HydrophobicContact CB-CG2 4.41Å; I67-V78 HydrophobicContact CD1-CG2 4.38Å; I67-V78 HydrophobicContact CG1-CG2 3.42Å; I67-V78 VanDerWaalsContact CG1-CG2 3.42Å; I67-I141 HydrophobicContact CB-CD1 3.81Å; I67-I141 HydrophobicContact CG1-CD1 3.94Å; I67-I141 HydrophobicContact CG1-CG2 4.28Å; I67-I141 HydrophobicContact CG2-CD1 3.63Å
68L89.9Confident89.8Confident1 Ų134.2 Ų34.21%0.00521%0.208CC..EExtended strand (participates in β ladder)trans-95.3123.5165.4177.364.5000109.2L49 I50 K74 W75 F433L49-L68 CarbonylContact C-O 3.56Å; L49-L68 WeakPolarHBondContact CA-O 3.05Å; I50-L68 HydrophobicContact CB-CB 4.23Å; I50-L68 HydrophobicContact CD1-CD2 4.35Å; I50-L68 PolarHBondContact N-O 3.16Å; I50-L68 PolarHBondContact O-N 3.33Å; L68-K74 WeakPolarHBondContact CA-O 3.43Å; L68-W75 HydrophobicContact CB-CD2 3.94Å; L68-W75 HydrophobicContact CB-CE3 3.68Å; L68-W75 HydrophobicContact CB-CH2 3.72Å; L68-W75 HydrophobicContact CB-CZ2 3.96Å; L68-W75 HydrophobicContact CB-CZ3 3.59Å; L68-W75 HydrophobicContact CD1-CD2 4.07Å; L68-W75 HydrophobicContact CD1-CG 4.27Å; L68-W75 HydrophobicContact CD1-CZ2 4.36Å; L68-W75 HydrophobicContact CD2-CH2 4.35Å; L68-W75 HydrophobicContact CD2-CZ2 4.03Å; L68-W75 HydrophobicContact CG-CZ2 4.35Å; L68-F433 HydrophobicContact CD2-CD2 4.42Å; L68-F433 HydrophobicContact CD2-CE2 3.6Å; L68-F433 HydrophobicContact CD2-CZ 3.88Å
69D85.9Confident89.6Confident12 Ų1232.1 Ų32.16%0.06418%0.183CC..EExtended strand (participates in β ladder)trans-79.8116.9165-177.4-38.6000109.2L49 T71 S72 F73 K74 Y76L49-D69 HydrophobicContact CD2-CB 4.01Å; D69-T71 VanDerWaalsContact C-N 3.26Å; D69-T71 PolarHBondContact O-N 3.39Å; D69-T71 VanDerWaalsContact OD1-CA 3.31Å; D69-T71 WeakPolarHBondContact OD1-CA 3.38Å; D69-T71 WeakPolarHBondContact OD1-CB 3.06Å; D69-T71 PolarHBondContact OD1-N 3.44Å; D69-S72 WeakPolarHBondContact CB-OG 3.49Å; D69-S72 PolarHBondContact OD1-N 2.96Å; D69-F73 WeakPolarHBondContact O-CA 3.46Å; D69-F73 PolarHBondContact O-N 3.25Å; D69-K74 PolarHBondContact N-O 3.04Å; D69-Y76 HydrophobicContact CB-CE2 3.97Å
70I83.2Confident89.2Confident2 Ų228.7 Ų28.71%0.0116%0.156CC..THydrogen-bonded Turntrans-70.8-23.8-177-62.5166000111.6P48 I50 F73 F386 L388P48-I70 HydrophobicContact CB-CB 4.38Å; P48-I70 HydrophobicContact CB-CD1 3.93Å; P48-I70 HydrophobicContact CG-CB 4.32Å; P48-I70 WeakPolarHBondContact O-CB 3.39Å; P48-I70 WeakPolarHBondContact O-CG1 3.2Å; P48-I70 PolarHBondContact O-N 2.98Å; I50-I70 HydrophobicContact CD1-CD1 4.12Å; I50-I70 HydrophobicContact CD1-CG1 4.17Å; I50-I70 HydrophobicContact CG1-CD1 3.72Å; I50-I70 HydrophobicContact CG1-CG1 3.93Å; I70-F73 VanDerWaalsContact O-CE2 3.25Å; I70-F73 WeakPolarHBondContact O-CE2 3.28Å; I70-F73 WeakPolarHBondContact O-CZ 2.95Å; I70-F386 HydrophobicContact CD1-CD1 4.12Å; I70-F386 HydrophobicContact CD1-CD2 3.78Å; I70-F386 HydrophobicContact CD1-CE1 4.14Å; I70-F386 HydrophobicContact CD1-CE2 3.82Å; I70-F386 HydrophobicContact CD1-CG 3.93Å; I70-F386 HydrophobicContact CD1-CZ 3.99Å; I70-F386 HydrophobicContact CG1-CZ 4.46Å; I70-F386 HydrophobicContact CG2-CE2 3.85Å; I70-F386 HydrophobicContact CG2-CZ 4Å; I70-L388 HydrophobicContact CG2-CD1 4.29Å; I70-L388 HydrophobicContact CG2-CD2 4.49Å
71T79.6Confident88.5Confident30 Ų3032.6 Ų32.618%0.18417%0.167CC..THydrogen-bonded Turntrans-77.4-46.6179.5-48.40000110.7D69 F403D69-T71 VanDerWaalsContact C-N 3.26Å; D69-T71 PolarHBondContact O-N 3.39Å; D69-T71 VanDerWaalsContact OD1-CA 3.31Å; D69-T71 WeakPolarHBondContact OD1-CA 3.38Å; D69-T71 WeakPolarHBondContact OD1-CB 3.06Å; D69-T71 PolarHBondContact OD1-N 3.44Å; T71-F403 HydrophobicContact CG2-CZ 4.03Å
72S79Confident87Confident33 Ų3338.9 Ų38.923%0.23119%0.194CC..THydrogen-bonded Turntrans-94.1-15.5-177.173.60000114D69 K74D69-S72 WeakPolarHBondContact CB-OG 3.49Å; D69-S72 PolarHBondContact OD1-N 2.96Å; S72-K74 PolarHBondContact O-N 2.97Å; S72-K74 WeakPolarHBondContact OG-CB 3.4Å; S72-K74 PolarHBondContact OG-N 3.41Å
73F82.3Confident85.8Confident9 Ų942.9 Ų42.94%0.03922%0.22CC..THydrogen-bonded Turntrans53.237.2-169.1-62-76000113.3L4 L8 V17 D69 I70 L450L4-F73 HydrophobicContact CB-CD2 4.44Å; L4-F73 HydrophobicContact CB-CE2 4.17Å; L4-F73 HydrophobicContact CD2-CB 4.43Å; L4-F73 HydrophobicContact CD2-CD1 4.02Å; L4-F73 HydrophobicContact CD2-CD2 3.32Å; L4-F73 HydrophobicContact CD2-CE1 4.07Å; L4-F73 HydrophobicContact CD2-CE2 3.4Å; L4-F73 VanDerWaalsContact CD2-CE2 3.4Å; L4-F73 HydrophobicContact CD2-CG 3.63Å; L4-F73 HydrophobicContact CD2-CZ 3.78Å; L4-F73 HydrophobicContact CG-CD2 4.41Å; L4-F73 HydrophobicContact CG-CE2 4.17Å; L8-F73 HydrophobicContact CD1-CZ 3.77Å; V17-F73 HydrophobicContact CB-CD1 4.49Å; V17-F73 HydrophobicContact CG1-CB 4.16Å; V17-F73 HydrophobicContact CG1-CD1 3.49Å; V17-F73 VanDerWaalsContact CG1-CD1 3.49Å; V17-F73 HydrophobicContact CG1-CE1 4.28Å; V17-F73 HydrophobicContact CG1-CG 4.15Å; V17-F73 HydrophobicContact CG2-CD1 4.31Å; V17-F73 HydrophobicContact CG2-CE1 4.3Å; D69-F73 WeakPolarHBondContact O-CA 3.46Å; D69-F73 PolarHBondContact O-N 3.25Å; I70-F73 VanDerWaalsContact O-CE2 3.25Å; I70-F73 WeakPolarHBondContact O-CE2 3.28Å; I70-F73 WeakPolarHBondContact O-CZ 2.95Å; F73-L450 HydrophobicContact CE1-CD1 3.63Å; F73-L450 HydrophobicContact CZ-CD1 4.19Å
74K84.5Confident85.2Confident51 Ų5141 Ų4122%0.22221%0.21CC..EExtended strand (participates in β ladder)trans-104.5140.4175.7-69.4-167.5170.2-160.60110.1E22 L68 D69 S72 Y76E22-K74 IonicContact OE2-NZ 3.66Å; E22-K74 PolarHBondContact OE2-NZ 3.36Å; L68-K74 WeakPolarHBondContact CA-O 3.43Å; D69-K74 PolarHBondContact N-O 3.04Å; S72-K74 PolarHBondContact O-N 2.97Å; S72-K74 WeakPolarHBondContact OG-CB 3.4Å; S72-K74 PolarHBondContact OG-N 3.41Å; K74-Y76 HydrophobicContact CB-CE2 3.92Å
75W88Confident85Confident13 Ų1345.3 Ų45.35%0.04923%0.234CC..EExtended strand (participates in β ladder)trans-94139.5172.5-72.4104.1000110.5P26 M52 I67 L68 F433P26-W75 HydrophobicContact CG-CD2 3.82Å; P26-W75 HydrophobicContact CG-CE3 3.82Å; P26-W75 HydrophobicContact CG-CG 4.41Å; P26-W75 HydrophobicContact CG-CH2 4.15Å; P26-W75 HydrophobicContact CG-CZ2 4.16Å; P26-W75 HydrophobicContact CG-CZ3 3.97Å; M52-W75 HydrophobicContact CB-CH2 4.43Å; M52-W75 HydrophobicContact CB-CZ3 4.14Å; M52-W75 HydrophobicContact CE-CH2 3.5Å; M52-W75 VanDerWaalsContact CE-CH2 3.5Å; M52-W75 HydrophobicContact CE-CZ2 4.16Å; M52-W75 HydrophobicContact CE-CZ3 4.19Å; M52-W75 HydrophobicContact SD-CH2 4.46Å; I67-W75 CarbonylContact O-C 3.56Å; I67-W75 VanDerWaalsContact O-CA 3.31Å; I67-W75 WeakPolarHBondContact O-CA 3.13Å; L68-W75 HydrophobicContact CB-CD2 3.94Å; L68-W75 HydrophobicContact CB-CE3 3.68Å; L68-W75 HydrophobicContact CB-CH2 3.72Å; L68-W75 HydrophobicContact CB-CZ2 3.96Å; L68-W75 HydrophobicContact CB-CZ3 3.59Å; L68-W75 HydrophobicContact CD1-CD2 4.07Å; L68-W75 HydrophobicContact CD1-CG 4.27Å; L68-W75 HydrophobicContact CD1-CZ2 4.36Å; L68-W75 HydrophobicContact CD2-CH2 4.35Å; L68-W75 HydrophobicContact CD2-CZ2 4.03Å; L68-W75 HydrophobicContact CG-CZ2 4.35Å; W75-F433 HydrophobicContact CH2-CZ 4.18Å; W75-F433 HydrophobicContact CZ2-CZ 4.06Å
76Y86.7Confident84.8Confident61 Ų6151 Ų5124%0.23926%0.259CS..EExtended strand (participates in β ladder)trans-125.6143.8174.1-56.3-86.1000109.1Y66 I67 D69 K74Y66-Y76 CarbonylContact C-O 3.55Å; Y66-Y76 VanDerWaalsContact CA-O 3.26Å; Y66-Y76 WeakPolarHBondContact CA-O 3.26Å; I67-Y76 PolarHBondContact N-O 3.37Å; I67-Y76 PolarHBondContact O-N 2.75Å; D69-Y76 HydrophobicContact CB-CE2 3.97Å; K74-Y76 HydrophobicContact CB-CE2 3.92Å
77T89.2Confident84.7Confident55 Ų5551.1 Ų51.134%0.33726%0.261SS..EExtended strand (participates in β ladder)trans-78140.3168.349.10000109.6K24 Y66K24-T77 HydrophobicContact CB-CG2 4.16Å; K24-T77 HydrophobicContact CD-CG2 3.94Å; Y66-T77 HydrophobicContact CD1-CG2 4.13Å; Y66-T77 HydrophobicContact CE1-CG2 3.7Å
78V90.8Very high84.7Confident10 Ų1051.3 Ų51.36%0.06126%0.263CS..  trans-92.8124.1172.8-178.60000109A65 I67 L80 I141 A143A65-V78 HydrophobicContact CB-CB 3.89Å; A65-V78 HydrophobicContact CB-CG2 4.11Å; A65-V78 PolarHBondContact O-N 3.39Å; I67-V78 HydrophobicContact CB-CG2 4.41Å; I67-V78 HydrophobicContact CD1-CG2 4.38Å; I67-V78 HydrophobicContact CG1-CG2 3.42Å; I67-V78 VanDerWaalsContact CG1-CG2 3.42Å; V78-L80 HydrophobicContact CG1-CD2 4.4Å; V78-L80 PolarHBondContact O-N 3.44Å; V78-I141 HydrophobicContact CG1-CG2 4.43Å; V78-I141 HydrophobicContact CG2-CG2 4.32Å; V78-A143 HydrophobicContact CG1-CB 3.55Å
79D89.2Confident84.9Confident60 Ų6051.4 Ų51.432%0.32126%0.264SS..EExtended strand (participates in β ladder)trans-83.8111.1175.7-74.4-28.1000110.5R140 I141 T142 A143D79-R140 IonicContact OD2-CZ 2.7Å; D79-R140 IonicContact OD2-NE 3.49Å; D79-R140 PolarHBondContact OD2-NE 2.83Å; D79-R140 IonicContact OD2-NH2 2.62Å; D79-R140 PolarHBondContact OD2-NH2 3.16Å; D79-I141 PolarHBondContact N-O 2.7Å; D79-T142 HydrophobicContact CB-CG2 4.24Å; D79-T142 CarbonylContact O-C 3.51Å; D79-T142 VanDerWaalsContact O-CA 3.22Å; D79-T142 WeakPolarHBondContact O-CA 3.44Å; D79-A143 PolarHBondContact O-N 3.1Å
80L88Confident85.4Confident37 Ų3750.8 Ų50.819%0.19426%0.261CS..EExtended strand (participates in β ladder)trans-78.5124.5177-61.3178000110.5V78 Q82 L89 L122 A143V78-L80 HydrophobicContact CG1-CD2 4.4Å; V78-L80 PolarHBondContact O-N 3.44Å; L80-Q82 VanDerWaalsContact C-N 3.26Å; L80-Q82 HydrophobicContact CB-CG 4.41Å; L80-Q82 PolarHBondContact O-N 3.19Å; L80-L89 HydrophobicContact CD1-CD1 3.75Å; L80-L89 HydrophobicContact CD1-CG 4.11Å; L80-L89 HydrophobicContact CD2-CD1 4.27Å; L80-L122 HydrophobicContact CD2-CD1 3.82Å; L80-A143 WeakPolarHBondContact CA-O 3.12Å; L80-A143 HydrophobicContact CD2-CB 3.97Å
81E82.7Confident86.1Confident107 Ų10750.8 Ų50.850%0.526%0.26SS..EExtended strand (participates in β ladder)trans-71.286.8163.3-64.4179.3-170.600107.4T83 A143E81-T83 PolarHBondContact O-N 3.34Å; E81-T83 VanDerWaalsContact O-N 3.14Å; E81-A143 PolarHBondContact N-O 3.34Å
82Q66.3Low86.9Confident169 Ų16952.5 Ų52.579%0.7926%0.264SS*.  trans-63.4117.9-171.9-66.6-175.212.600111.3L80L80-Q82 VanDerWaalsContact C-N 3.26Å; L80-Q82 HydrophobicContact CB-CG 4.41Å; L80-Q82 PolarHBondContact O-N 3.19Å
83T70.4Confident87.7Confident105 Ų10553 Ų5364%0.64426%0.263SS*.  trans-122.9-0.8170.765.60000113.3E81 L145E81-T83 PolarHBondContact O-N 3.34Å; E81-T83 VanDerWaalsContact O-N 3.14Å; T83-L145 PolarHBondContact OG1-O 3.28Å
84I82.5Confident88.3Confident38 Ų3853 Ų5320%0.19526%0.263CS..SBendtrans-130.9139.8-173.5-42.6171.6000109.8L120 L145 T146 Q147I84-L120 HydrophobicContact CD1-CD2 4.25Å; I84-L145 HydrophobicContact CD1-CB 4.25Å; I84-L145 HydrophobicContact CD1-CD2 3.95Å; I84-L145 HydrophobicContact CD1-CG 3.65Å; I84-L145 WeakPolarHBondContact CD1-O 3.3Å; I84-T146 VanDerWaalsContact CD1-C 3.4Å; I84-Q147 HydrophobicContact CD1-CB 3.89Å; I84-Q147 VanDerWaalsContact CD1-N 3.28Å; I84-Q147 HydrophobicContact CG2-CB 4.34Å
85D86.4Confident88.7Confident143 Ų14350.6 Ų50.677%0.76525%0.252SS*.  trans-68.2163170.8-61.4-41000112.1G88D85-G88 PolarHBondContact O-N 2.96Å
86F90.1Very high89Confident122 Ų12250.3 Ų50.354%0.53525%0.252SS..THydrogen-bonded Turntrans-49.3137.6169.1-178.7-89.7000110.8V61 T111V61-F86 HydrophobicContact CG2-CE2 4.07Å; V61-F86 HydrophobicContact CG2-CZ 4.14Å; F86-T111 HydrophobicContact CE1-CG2 4.3Å; F86-T111 HydrophobicContact CZ-CG2 4Å
87P92.1Very high89.3Confident16 Ų1647.8 Ų47.810%0.10424%0.244CC..THydrogen-bonded Turncis-98.120.720.538.1-36.8000117.3L89 G90 R91 T111 L116 Q118P87-L89 PolarHBondContact O-N 3.27Å; P87-G90 CarbonylContact O-C 3.57Å; P87-G90 VanDerWaalsContact O-CA 3.3Å; P87-G90 WeakPolarHBondContact O-CA 3.23Å; P87-G90 PolarHBondContact O-N 3.46Å; P87-R91 PolarHBondContact O-NH2 3.27Å; P87-T111 HydrophobicContact CB-CG2 3.66Å; P87-T111 HydrophobicContact CG-CG2 4.33Å; P87-L116 HydrophobicContact CB-CD1 4.33Å; P87-L116 HydrophobicContact CG-CD1 3.81Å; P87-L116 HydrophobicContact CG-CD2 3.98Å; P87-Q118 VanDerWaalsContact CG-OE1 3.25Å
88G92.2Very high89.4Confident4 Ų446.6 Ų46.64%0.04124%0.235CC..SBendtrans34-124.2163.700000116.1D85 R91 L120D85-G88 PolarHBondContact O-N 2.96Å; G88-R91 VanDerWaalsContact O-CZ 3.27Å; G88-R91 PolarHBondContact O-NE 3.19Å; G88-R91 PolarHBondContact O-NH2 2.99Å; G88-L120 WeakPolarHBondContact O-CD1 3.36Å
89L94.9Very high89.4Confident2 Ų246.3 Ų46.31%0.0123%0.233CC..SBendtrans-86.4-8.3165.2-62.6-171.8000113.2I53 G54 D63 A65 L80 P87 R91 I106 L145I53-L89 HydrophobicContact CB-CD1 4.45Å; I53-L89 HydrophobicContact CG2-CD1 4.12Å; G54-L89 WeakPolarHBondContact CA-O 3.41Å; D63-L89 WeakPolarHBondContact OD1-CA 3.33Å; D63-L89 PolarHBondContact OD1-N 3.15Å; A65-L89 HydrophobicContact CB-CD1 3.71Å; L80-L89 HydrophobicContact CD1-CD1 3.75Å; L80-L89 HydrophobicContact CD1-CG 4.11Å; L80-L89 HydrophobicContact CD2-CD1 4.27Å; P87-L89 PolarHBondContact O-N 3.27Å; L89-R91 VanDerWaalsContact C-N 3.26Å; L89-R91 PolarHBondContact O-N 2.74Å; L89-I106 HydrophobicContact CD2-CD1 3.49Å; L89-I106 VanDerWaalsContact CD2-CD1 3.49Å; L89-L145 HydrophobicContact CD2-CD1 3.85Å; L89-L145 HydrophobicContact CD2-CD2 4.05Å; L89-L145 HydrophobicContact CG-CD2 4.11Å
90G95.7Very high89.2Confident0 Ų045.2 Ų45.20%023%0.228CC..  trans-63.674176.400000113.7V61 F62 D63 P87 T111V61-G90 WeakPolarHBondContact CG2-O 3.19Å; F62-G90 WeakPolarHBondContact O-CA 3.48Å; D63-G90 PolarHBondContact OD1-N 3.22Å; P87-G90 CarbonylContact O-C 3.57Å; P87-G90 VanDerWaalsContact O-CA 3.3Å; P87-G90 WeakPolarHBondContact O-CA 3.23Å; P87-G90 PolarHBondContact O-N 3.46Å; G90-T111 WeakPolarHBondContact O-CG2 3.32Å
91R96.5Very high89.1Confident1 Ų147.5 Ų47.50%0.00424%0.24CC..  trans-155.6162.3-179.165-169.268-127-9.3111G55 P87 G88 L89 H94 G108 A110 L116G55-R91 PolarHBondContact N-O 3.12Å; P87-R91 PolarHBondContact O-NH2 3.27Å; G88-R91 VanDerWaalsContact O-CZ 3.27Å; G88-R91 PolarHBondContact O-NE 3.19Å; G88-R91 PolarHBondContact O-NH2 2.99Å; L89-R91 VanDerWaalsContact C-N 3.26Å; L89-R91 PolarHBondContact O-N 2.74Å; R91-H94 HydrophobicContact CG-CB 4.07Å; R91-G108 PolarHBondContact NH1-O 2.72Å; R91-A110 VanDerWaalsContact CA-O 3.24Å; R91-A110 WeakPolarHBondContact CA-O 3.45Å; R91-L116 HydrophobicContact CB-CD1 3.98Å
92Y96.9Very high89.3Confident67 Ų6744.5 Ų44.526%0.26323%0.226SC..BIsolated β-bridgetrans-134162.7171.771.5-69.6000110.5G31 A56 V61 H94 G109 A110G31-Y92 CarbonylContact O-C 3.6Å; G31-Y92 WeakPolarHBondContact O-CA 3.47Å; A56-Y92 HydrophobicContact CB-CD1 4.08Å; A56-Y92 HydrophobicContact CB-CD2 4.46Å; A56-Y92 HydrophobicContact CB-CG 3.87Å; V61-Y92 HydrophobicContact CG1-CD1 3.75Å; V61-Y92 HydrophobicContact CG1-CE1 4.41Å; Y92-H94 PolarHBondContact O-N 2.84Å; Y92-H94 VanDerWaalsContact O-N 3.17Å; Y92-G109 CarbonylContact O-C 3.51Å; Y92-G109 WeakPolarHBondContact O-CA 3.41Å; Y92-A110 HydrophobicContact CD1-CB 4.21Å; Y92-A110 WeakPolarHBondContact CD1-O 3.39Å; Y92-A110 HydrophobicContact CE1-CB 3.58Å; Y92-A110 WeakPolarHBondContact CE1-O 3.11Å; Y92-A110 PolarHBondContact N-O 2.75Å; Y92-A110 PolarHBondContact O-N 2.89Å
93E96.1Very high90.5Very high44 Ų4437.5 Ų37.521%0.20619%0.193CC..SBendtrans5036-174-59177.8-170.400112.8G31 G109 T163 Q164 N165G31-E93 PolarHBondContact O-N 3.46Å; E93-G109 WeakPolarHBondContact O-CA 3.16Å; E93-T163 HydrophobicContact CB-CG2 4.04Å; E93-T163 CarbonylContact O-C 3.55Å; E93-T163 WeakPolarHBondContact O-CA 3.25Å; E93-T163 WeakPolarHBondContact OE2-CB 3.35Å; E93-T163 WeakPolarHBondContact OE2-CG2 3.22Å; E93-T163 PolarHBondContact OE2-OG1 2.86Å; E93-Q164 PolarHBondContact O-N 2.78Å; E93-N165 HydrophobicContact CB-CB 4.06Å; E93-N165 HydrophobicContact CG-CB 4.02Å
94H95Very high91.6Very high9 Ų932.5 Ų32.54%0.04216%0.163CC..  trans-80.3156.2172.354.3-82.3000111.3S33 R91 Y92 I106S33-H94 PolarHBondContact OG-NE2 3.36Å; R91-H94 HydrophobicContact CG-CB 4.07Å; Y92-H94 PolarHBondContact O-N 2.84Å; Y92-H94 VanDerWaalsContact O-N 3.17Å; H94-I106 HydrophobicContact CB-CG2 4.11Å
95S92.5Very high92.1Very high0 Ų030.7 Ų30.70%015%0.153CC..EExtended strand (participates in β ladder)trans-83.6139.6164.9154.50000108.8I106 F107 Q164 V168S95-I106 CarbonylContact O-C 3.49Å; S95-I106 WeakPolarHBondContact O-CA 3.48Å; S95-F107 PolarHBondContact N-O 2.72Å; S95-F107 PolarHBondContact O-N 3.25Å; S95-Q164 PolarHBondContact OG-OE1 3.13Å; S95-V168 WeakPolarHBondContact OG-CB 3.35Å; S95-V168 WeakPolarHBondContact OG-CG2 3.4Å
96S94Very high92.4Very high7 Ų723.9 Ų23.95%0.04912%0.117CC..EExtended strand (participates in β ladder)trans-151.2149170.152.20000111.9S33 H35 I105 V168S33-S96 WeakPolarHBondContact CB-OG 3.4Å; S33-S96 PolarHBondContact OG-OG 3.21Å; H35-S96 PolarHBondContact CE1-O 3.43Å; H35-S96 WeakPolarHBondContact NE2-CB 3.48Å; H35-S96 PolarHBondContact NE2-O 3.1Å; H35-S96 PolarHBondContact NE2-OG 3.33Å; S96-I105 CarbonylContact C-O 3.47Å; S96-I105 WeakPolarHBondContact CA-O 3.36Å; S96-I105 VanDerWaalsContact CB-O 3.28Å; S96-I105 WeakPolarHBondContact CB-O 3.35Å; S96-V168 VanDerWaalsContact O-CG1 3.31Å; S96-V168 WeakPolarHBondContact O-CG1 3.08Å
97A93Very high92.6Very high8 Ų818.3 Ų18.37%0.0669%0.092CC..EExtended strand (participates in β ladder)trans-144.4146.8178.400000110.6L104 I105 V168 L170 L176A97-L104 WeakPolarHBondContact O-CA 3.46Å; A97-I105 PolarHBondContact N-O 2.74Å; A97-I105 PolarHBondContact O-N 3.4Å; A97-V168 HydrophobicContact CB-CG2 4.45Å; A97-L170 HydrophobicContact CB-CB 4.23Å; A97-L170 HydrophobicContact CB-CD1 4.17Å; A97-L176 HydrophobicContact CB-CD1 4Å
98I91.4Very high92.6Very high29 Ų2917.5 Ų17.515%0.1499%0.087CC..EExtended strand (participates in β ladder)trans-89.9123.5173.8-173.765.9000110H35 I37 Q102 L104 L170H35-I98 HydrophobicContact CB-CB 4.34Å; I37-I98 HydrophobicContact CG2-CD1 3.84Å; I37-I98 HydrophobicContact CG2-CG1 4.45Å; I98-Q102 VanDerWaalsContact CD1-C 3.47Å; I98-Q102 WeakPolarHBondContact CD1-O 3.39Å; I98-L104 HydrophobicContact CD1-CD1 3.44Å; I98-L104 VanDerWaalsContact CD1-CD1 3.44Å; I98-L104 HydrophobicContact CD1-CG 3.95Å; I98-L170 WeakPolarHBondContact O-CD2 3.37Å
99L91.4Very high92.8Very high5 Ų517.3 Ų17.33%0.0269%0.085CC..  trans-79.7164.4175.1-61.1-170000111.6N101 Q102 E103 I105 L170 N174L99-N101 WeakPolarHBondContact CB-OD1 3.45Å; L99-N101 PolarHBondContact O-N 3.38Å; L99-N101 VanDerWaalsContact O-N 3.12Å; L99-Q102 PolarHBondContact O-N 3.25Å; L99-E103 HydrophobicContact CB-CB 4.5Å; L99-E103 WeakPolarHBondContact CB-O 3.15Å; L99-E103 HydrophobicContact CD1-CB 4.27Å; L99-E103 WeakPolarHBondContact CG-O 3.46Å; L99-E103 PolarHBondContact N-O 3.36Å; L99-I105 HydrophobicContact CD1-CD1 3.82Å; L99-I105 HydrophobicContact CD1-CG1 3.97Å; L99-I105 HydrophobicContact CD2-CD1 3.63Å; L99-I105 HydrophobicContact CD2-CG1 4.09Å; L99-I105 HydrophobicContact CG-CD1 3.98Å; L99-I105 HydrophobicContact CG-CG1 3.99Å; L99-L170 HydrophobicContact CD2-CD1 3.74Å; L99-L170 HydrophobicContact CD2-CD2 3.98Å; L99-N174 HydrophobicContact CD2-CB 3.86Å
100N84.8Confident92.8Very high37 Ų3717.4 Ų17.420%0.1989%0.086CC..THydrogen-bonded Turntrans-59.4-25.5178.1-65.5-10.8000114.2Q102 N174 S473 G475N100-Q102 VanDerWaalsContact C-N 3.26Å; N100-N174 PolarHBondContact N-OD1 3.24Å; N100-N174 PolarHBondContact ND2-OD1 2.87Å; N100-N174 PolarHBondContact OD1-OD1 3.23Å; N100-S473 PolarHBondContact OD1-O 3.16Å; N100-G475 WeakPolarHBondContact O-CA 3.31Å
101N85.6Confident92.8Very high85 Ų8517.5 Ų17.546%0.4559%0.087SC..THydrogen-bonded Turntrans-87.612.6176.268.3-14.8000113.2L99 E103L99-N101 WeakPolarHBondContact CB-OD1 3.45Å; L99-N101 PolarHBondContact O-N 3.38Å; L99-N101 VanDerWaalsContact O-N 3.12Å; N101-E103 PolarHBondContact O-N 3.33Å; N101-E103 VanDerWaalsContact OD1-CB 3.26Å; N101-E103 WeakPolarHBondContact OD1-CB 3.48Å; N101-E103 PolarHBondContact OD1-N 2.06Å; N101-E103 VanDerWaalsContact OD1-N 3.16Å
102Q87.3Confident92.6Very high43 Ų4324.3 Ų24.320%0.20112%0.123CC..SBendtrans65.913.1-177.4-51.6-69.8-13.800114.9R38 I98 L99 N100R38-Q102 WeakPolarHBondContact O-CG 3.4Å; I98-Q102 VanDerWaalsContact CD1-C 3.47Å; I98-Q102 WeakPolarHBondContact CD1-O 3.39Å; L99-Q102 PolarHBondContact O-N 3.25Å; N100-Q102 VanDerWaalsContact C-N 3.26Å
103E91.3Very high92.3Very high23 Ų2326.9 Ų26.911%0.10715%0.146CC..PPolyproline II helixtrans-80136.5169.2-171.3-179.9-122.800110.1L99 N101 R121L99-E103 HydrophobicContact CB-CB 4.5Å; L99-E103 WeakPolarHBondContact CB-O 3.15Å; L99-E103 HydrophobicContact CD1-CB 4.27Å; L99-E103 WeakPolarHBondContact CG-O 3.46Å; L99-E103 PolarHBondContact N-O 3.36Å; N101-E103 PolarHBondContact O-N 3.33Å; N101-E103 VanDerWaalsContact OD1-CB 3.26Å; N101-E103 WeakPolarHBondContact OD1-CB 3.48Å; N101-E103 PolarHBondContact OD1-N 2.06Å; N101-E103 VanDerWaalsContact OD1-N 3.16Å; E103-R121 HydrophobicContact CG-CB 4.37Å; E103-R121 IonicContact OE2-CZ 3.57Å; E103-R121 IonicContact OE2-NH1 2.85Å; E103-R121 PolarHBondContact OE2-NH1 3.17Å
104L93.5Very high92Very high0 Ų025.9 Ų25.90%015%0.147CC..EExtended strand (participates in β ladder)trans-91.6128.5171.7-79.180.4000110.2H35 I37 I51 I53 A97 I98 R121 L122 I124H35-L104 HydrophobicContact CB-CD2 4.24Å; I37-L104 HydrophobicContact CG2-CD1 4.14Å; I51-L104 HydrophobicContact CD1-CD2 4.49Å; I51-L104 HydrophobicContact CG2-CD1 4.03Å; I51-L104 HydrophobicContact CG2-CD2 3.59Å; I51-L104 HydrophobicContact CG2-CG 4.43Å; I53-L104 HydrophobicContact CD1-CD2 4.4Å; A97-L104 WeakPolarHBondContact O-CA 3.46Å; I98-L104 HydrophobicContact CD1-CD1 3.44Å; I98-L104 VanDerWaalsContact CD1-CD1 3.44Å; I98-L104 HydrophobicContact CD1-CG 3.95Å; L104-R121 CarbonylContact O-C 3.57Å; L104-R121 WeakPolarHBondContact O-CA 3.17Å; L104-L122 HydrophobicContact CB-CB 4.16Å; L104-L122 PolarHBondContact N-O 3.28Å; L104-L122 PolarHBondContact O-N 2.72Å; L104-I124 HydrophobicContact CD1-CD1 3.87Å
105I93.2Very high92Very high0 Ų027.4 Ų27.40%016%0.158CC..EExtended strand (participates in β ladder)trans-92.1138.4163.4-65.8-178.8000108.9S96 A97 L99 L119 L120 L176 Y197S96-I105 CarbonylContact C-O 3.47Å; S96-I105 WeakPolarHBondContact CA-O 3.36Å; S96-I105 VanDerWaalsContact CB-O 3.28Å; S96-I105 WeakPolarHBondContact CB-O 3.35Å; A97-I105 PolarHBondContact N-O 2.74Å; A97-I105 PolarHBondContact O-N 3.4Å; L99-I105 HydrophobicContact CD1-CD1 3.82Å; L99-I105 HydrophobicContact CD1-CG1 3.97Å; L99-I105 HydrophobicContact CD2-CD1 3.63Å; L99-I105 HydrophobicContact CD2-CG1 4.09Å; L99-I105 HydrophobicContact CG-CD1 3.98Å; L99-I105 HydrophobicContact CG-CG1 3.99Å; I105-L119 HydrophobicContact CG2-CD1 3.43Å; I105-L119 VanDerWaalsContact CG2-CD1 3.43Å; I105-L119 HydrophobicContact CG2-CG 4.43Å; I105-L120 WeakPolarHBondContact CA-O 3.5Å; I105-L176 HydrophobicContact CG2-CD2 4.16Å; I105-Y197 HydrophobicContact CD1-CD1 4.04Å; I105-Y197 HydrophobicContact CD1-CE1 3.79Å
106I93.9Very high92Very high0 Ų028.6 Ų28.60%017%0.165CC..EExtended strand (participates in β ladder)trans-129.1126.7176.6-52.7160.1000108.3I53 L89 H94 S95 L119 L120 L122 L145I53-I106 HydrophobicContact CD1-CD1 3.42Å; I53-I106 VanDerWaalsContact CD1-CD1 3.42Å; I53-I106 HydrophobicContact CD1-CG1 3.54Å; L89-I106 HydrophobicContact CD2-CD1 3.49Å; L89-I106 VanDerWaalsContact CD2-CD1 3.49Å; H94-I106 HydrophobicContact CB-CG2 4.11Å; S95-I106 CarbonylContact O-C 3.49Å; S95-I106 WeakPolarHBondContact O-CA 3.48Å; I106-L119 CarbonylContact O-C 3.59Å; I106-L119 WeakPolarHBondContact O-CA 3.36Å; I106-L120 HydrophobicContact CB-CB 4.2Å; I106-L120 PolarHBondContact N-O 3.16Å; I106-L120 PolarHBondContact O-N 3.02Å; I106-L122 HydrophobicContact CD1-CB 4.31Å; I106-L145 HydrophobicContact CD1-CD1 4.48Å
107F93.6Very high91.8Very high4 Ų429.7 Ų29.72%0.01817%0.172CC..EExtended strand (participates in β ladder)trans-126.6134-179.9175.5-108.2000111.9S95 Q118 L119 F157 R162 L176 V178 W204S95-F107 PolarHBondContact N-O 2.72Å; S95-F107 PolarHBondContact O-N 3.25Å; F107-Q118 WeakPolarHBondContact CA-O 3.36Å; F107-L119 HydrophobicContact CB-CD1 4.03Å; F107-L119 HydrophobicContact CD2-CD1 4.28Å; F107-F157 HydrophobicContact CE1-CZ 4.45Å; F107-F157 HydrophobicContact CZ-CE1 4.29Å; F107-F157 AromaticContact CZ-CZ 3.95Å; F107-F157 HydrophobicContact CZ-CZ 3.95Å; F107-R162 HydrophobicContact CE1-CG 4.05Å; F107-L176 HydrophobicContact CB-CD2 3.93Å; F107-L176 HydrophobicContact CG-CD2 4.46Å; F107-V178 HydrophobicContact CD1-CG1 4.47Å; F107-V178 HydrophobicContact CD1-CG2 3.89Å; F107-V178 HydrophobicContact CE1-CG1 3.91Å; F107-V178 HydrophobicContact CE1-CG2 4.03Å; F107-W204 HydrophobicContact CD2-CH2 4.11Å; F107-W204 AromaticContact CD2-CZ2 3.85Å; F107-W204 HydrophobicContact CD2-CZ2 3.85Å; F107-W204 HydrophobicContact CE2-CH2 4.14Å; F107-W204 AromaticContact CE2-CZ2 3.91Å; F107-W204 HydrophobicContact CE2-CZ2 3.91Å; F107-W204 HydrophobicContact CG-CH2 4.31Å; F107-W204 HydrophobicContact CG-CZ2 4.44Å; F107-W204 HydrophobicContact CZ-CH2 4.37Å
108G92.8Very high91.7Very high0 Ų031.1 Ų31.10%018%0.177CC..  trans65.4-133.3171.100000113.5R91 L116 Q118R91-G108 PolarHBondContact NH1-O 2.72Å; G108-L116 VanDerWaalsContact CA-O 3.22Å; G108-L116 WeakPolarHBondContact CA-O 3.47Å; G108-Q118 PolarHBondContact N-O 3.21Å
109G94.9Very high91.7Very high0 Ų029.9 Ų29.90%017%0.171CC..  trans88.3-165.7-17000000111.8Y92 E93 P115 L116 R162Y92-G109 CarbonylContact O-C 3.51Å; Y92-G109 WeakPolarHBondContact O-CA 3.41Å; E93-G109 WeakPolarHBondContact O-CA 3.16Å; G109-P115 CarbonylContact O-C 3.52Å; G109-P115 WeakPolarHBondContact O-CA 3.34Å; G109-L116 PolarHBondContact O-N 3.38Å; G109-R162 PolarHBondContact N-O 2.66Å; G109-R162 VanDerWaalsContact N-O 3.09Å
110A95.2Very high91.7Very high3 Ų329.7 Ų29.73%0.02517%0.17CC..EExtended strand (participates in β ladder)trans-141.5160.217900000112.1R91 Y92 G114 T163R91-A110 VanDerWaalsContact CA-O 3.24Å; R91-A110 WeakPolarHBondContact CA-O 3.45Å; Y92-A110 HydrophobicContact CD1-CB 4.21Å; Y92-A110 WeakPolarHBondContact CD1-O 3.39Å; Y92-A110 HydrophobicContact CE1-CB 3.58Å; Y92-A110 WeakPolarHBondContact CE1-O 3.11Å; Y92-A110 PolarHBondContact N-O 2.75Å; Y92-A110 PolarHBondContact O-N 2.89Å; A110-G114 WeakPolarHBondContact CA-O 3.37Å; A110-T163 HydrophobicContact CB-CG2 3.68Å
111T95.8Very high92.1Very high3 Ų329.6 Ų29.62%0.01817%0.167CC..EExtended strand (participates in β ladder)trans-119.5-177.3159.6710000109F86 P87 G90 T113 G114 L116F86-T111 HydrophobicContact CE1-CG2 4.3Å; F86-T111 HydrophobicContact CZ-CG2 4Å; P87-T111 HydrophobicContact CB-CG2 3.66Å; P87-T111 HydrophobicContact CG-CG2 4.33Å; G90-T111 WeakPolarHBondContact O-CG2 3.32Å; T111-T113 PolarHBondContact O-N 2.82Å; T111-T113 VanDerWaalsContact O-N 3.14Å; T111-T113 PolarHBondContact OG1-N 3.13Å; T111-T113 VanDerWaalsContact OG1-N 3.11Å; T111-T113 PolarHBondContact OG1-OG1 2.76Å; T111-G114 PolarHBondContact N-O 2.98Å; T111-G114 PolarHBondContact O-N 2.71Å; T111-L116 HydrophobicContact CG2-CD1 4.02Å; T111-L116 HydrophobicContact CG2-CD2 4.4Å
112N91.6Very high92.5Very high143 Ų14325.6 Ų25.677%0.76515%0.145SC*.THydrogen-bonded Turntrans-61.5-15.8170.965.7-15.3000114
113T91.1Very high92.7Very high121 Ų12126 Ų2674%0.74215%0.147SC*.THydrogen-bonded Turntrans-87.7-8.8175.469.60000113.3T111T111-T113 PolarHBondContact O-N 2.82Å; T111-T113 VanDerWaalsContact O-N 3.14Å; T111-T113 PolarHBondContact OG1-N 3.13Å; T111-T113 VanDerWaalsContact OG1-N 3.11Å; T111-T113 PolarHBondContact OG1-OG1 2.76Å
114G91.1Very high92.6Very high23 Ų2325.4 Ų25.424%0.23715%0.145CC..EExtended strand (participates in β ladder)trans129-178.6179.500000114.1A110 T111A110-G114 WeakPolarHBondContact CA-O 3.37Å; T111-G114 PolarHBondContact N-O 2.98Å; T111-G114 PolarHBondContact O-N 2.71Å
115P93.3Very high92.2Very high42 Ų4228.6 Ų28.627%0.27316%0.16SC..EExtended strand (participates in β ladder)trans-64.9157.2178.927.4-35.3000112.3G109 P161G109-P115 CarbonylContact O-C 3.52Å; G109-P115 WeakPolarHBondContact O-CA 3.34Å; P115-P161 HydrophobicContact CB-CB 3.59Å; P115-P161 HydrophobicContact CG-CB 3.74Å; P115-P161 VanDerWaalsContact O-CB 3.28Å; P115-P161 WeakPolarHBondContact O-CB 3.42Å
116L92.7Very high91.3Very high25 Ų2530.1 Ų30.113%0.13117%0.17CC..  trans-117.5158.5-178.6-56173.7000110.7P87 R91 G108 G109 T111 P161 R162P87-L116 HydrophobicContact CB-CD1 4.33Å; P87-L116 HydrophobicContact CG-CD1 3.81Å; P87-L116 HydrophobicContact CG-CD2 3.98Å; R91-L116 HydrophobicContact CB-CD1 3.98Å; G108-L116 VanDerWaalsContact CA-O 3.22Å; G108-L116 WeakPolarHBondContact CA-O 3.47Å; G109-L116 PolarHBondContact O-N 3.38Å; T111-L116 HydrophobicContact CG2-CD1 4.02Å; T111-L116 HydrophobicContact CG2-CD2 4.4Å; L116-P161 WeakPolarHBondContact O-CA 3.33Å; L116-R162 PolarHBondContact O-N 2.83Å; L116-R162 VanDerWaalsContact O-N 3.14Å
117S90.2Very high89.6Confident29 Ų2934.5 Ų34.520%0.20319%0.193CC..  trans-127.412.6171.264.50000113.1I158S117-I158 WeakPolarHBondContact CB-O 3.35Å; S117-I158 PolarHBondContact OG-O 3.21Å
118Q90.5Very high87.7Confident38 Ų3838.2 Ų38.218%0.17822%0.219CC..  trans-62.8141.1177.6-74.9172.8-48.300111P87 F107 G108 L120P87-Q118 VanDerWaalsContact CG-OE1 3.25Å; F107-Q118 WeakPolarHBondContact CA-O 3.36Å; G108-Q118 PolarHBondContact N-O 3.21Å; Q118-L120 HydrophobicContact CB-CD2 4.38Å
119L91.3Very high85.8Confident4 Ų442.3 Ų42.32%0.02124%0.244CC..EExtended strand (participates in β ladder)trans-109119.6165.9-174.171.8000108.5I105 I106 F107 D148 L176 Y197 W204I105-L119 HydrophobicContact CG2-CD1 3.43Å; I105-L119 VanDerWaalsContact CG2-CD1 3.43Å; I105-L119 HydrophobicContact CG2-CG 4.43Å; I106-L119 CarbonylContact O-C 3.59Å; I106-L119 WeakPolarHBondContact O-CA 3.36Å; F107-L119 HydrophobicContact CB-CD1 4.03Å; F107-L119 HydrophobicContact CD2-CD1 4.28Å; L119-D148 HydrophobicContact CD2-CB 4.26Å; L119-D148 PolarHBondContact O-N 3.27Å; L119-D148 VanDerWaalsContact O-N 3.12Å; L119-L176 HydrophobicContact CD1-CD2 4.46Å; L119-Y197 HydrophobicContact CD2-CD1 4.02Å; L119-Y197 HydrophobicContact CD2-CD2 3.8Å; L119-Y197 HydrophobicContact CD2-CE1 3.65Å; L119-Y197 HydrophobicContact CD2-CE2 3.4Å; L119-Y197 HydrophobicContact CD2-CG 4.07Å; L119-W204 HydrophobicContact CD1-CZ2 4.25Å; L119-W204 HydrophobicContact CD2-CZ2 4.5Å
120L92.7Very high83.5Confident0 Ų045.1 Ų45.10%026%0.263CS..EExtended strand (participates in β ladder)trans-117.1152.1179.2-49.3175.7000110.5I84 G88 I105 I106 Q118 L145 T146 Q147I84-L120 HydrophobicContact CD1-CD2 4.25Å; G88-L120 WeakPolarHBondContact O-CD1 3.36Å; I105-L120 WeakPolarHBondContact CA-O 3.5Å; I106-L120 HydrophobicContact CB-CB 4.2Å; I106-L120 PolarHBondContact N-O 3.16Å; I106-L120 PolarHBondContact O-N 3.02Å; Q118-L120 HydrophobicContact CB-CD2 4.38Å; L120-L145 HydrophobicContact CB-CD1 3.98Å; L120-L145 HydrophobicContact CD1-CD1 4.28Å; L120-L145 HydrophobicContact CD1-CD2 4.38Å; L120-T146 CarbonylContact C-O 3.59Å; L120-T146 WeakPolarHBondContact CA-O 2.99Å; L120-Q147 HydrophobicContact CD2-CB 3.66Å; L120-Q147 HydrophobicContact CD2-CG 3.89Å
121R93Very high81.5Confident36 Ų3654.5 Ų54.514%0.13631%0.306CS..EExtended strand (participates in β ladder)trans-123.7120.4174.6-69.9177.4176.4-108.69.2108.8E103 L104 L145 T146 D148 Y197 S199E103-R121 HydrophobicContact CG-CB 4.37Å; E103-R121 IonicContact OE2-CZ 3.57Å; E103-R121 IonicContact OE2-NH1 2.85Å; E103-R121 PolarHBondContact OE2-NH1 3.17Å; L104-R121 CarbonylContact O-C 3.57Å; L104-R121 WeakPolarHBondContact O-CA 3.17Å; R121-L145 WeakPolarHBondContact O-CA 3.5Å; R121-T146 PolarHBondContact N-O 2.98Å; R121-T146 PolarHBondContact O-N 2.92Å; R121-D148 IonicContact NE-OD2 2.6Å; R121-D148 PolarHBondContact NE-OD2 3.12Å; R121-Y197 PolarHBondContact NH2-OH 2.83Å; R121-S199 PolarHBondContact NH2-O 2.83Å
122L94Very high79.3Confident0 Ų059.8 Ų59.80%033%0.334CS..EExtended strand (participates in β ladder)trans-113110.7-179.7177.873.7000108.9I51 I53 L80 L104 I106 A143 L145I51-L122 HydrophobicContact CD1-CD2 3.66Å; I53-L122 HydrophobicContact CG2-CD2 3.92Å; L80-L122 HydrophobicContact CD2-CD1 3.82Å; L104-L122 HydrophobicContact CB-CB 4.16Å; L104-L122 PolarHBondContact N-O 3.28Å; L104-L122 PolarHBondContact O-N 2.72Å; I106-L122 HydrophobicContact CD1-CB 4.31Å; L122-A143 HydrophobicContact CD1-CB 3.73Å; L122-A143 HydrophobicContact CG-CB 4.43Å; L122-L145 HydrophobicContact CB-CD1 3.88Å; L122-L145 HydrophobicContact CD1-CB 4.16Å; L122-L145 HydrophobicContact CD1-CD1 3.96Å
123Q92.1Very high77.3Confident51 Ų5158.6 Ų58.624%0.23833%0.334CS..EExtended strand (participates in β ladder)trans-100.9128.4175.3-177.765.542.900109.5H125 A143 S144Q123-H125 VanDerWaalsContact CG-CE1 3.43Å; Q123-H125 WeakPolarHBondContact CG-CE1 3.22Å; Q123-A143 CarbonylContact O-C 3.51Å; Q123-A143 WeakPolarHBondContact O-CA 3.35Å; Q123-A143 VanDerWaalsContact O-CB 3.24Å; Q123-A143 WeakPolarHBondContact O-CB 3.17Å; Q123-S144 PolarHBondContact N-O 3.47Å; Q123-S144 PolarHBondContact O-N 3.34Å
124I88.9Confident75.5Confident11 Ų1157.5 Ų57.56%0.05633%0.332CS..EExtended strand (participates in β ladder)trans-96.3135.5-178.2-55.5168.4000109.3I37 V39 I51 L104 I141I37-I124 HydrophobicContact CD1-CD1 3.26Å; I37-I124 HydrophobicContact CD1-CG2 4.42Å; I37-I124 HydrophobicContact CG1-CD1 4.48Å; I37-I124 HydrophobicContact CG2-CD1 4.18Å; V39-I124 HydrophobicContact CG2-CG2 4.03Å; I51-I124 HydrophobicContact CB-CD1 4.3Å; I51-I124 HydrophobicContact CD1-CD1 3.49Å; I51-I124 VanDerWaalsContact CD1-CD1 3.49Å; I51-I124 HydrophobicContact CD1-CG1 4.05Å; I51-I124 HydrophobicContact CG1-CD1 4.45Å; I51-I124 HydrophobicContact CG2-CD1 4.42Å; L104-I124 HydrophobicContact CD1-CD1 3.87Å; I124-I141 HydrophobicContact CG2-CG2 3.89Å
125H84.6Confident73.5Confident68 Ų6861.1 Ų61.132%0.31534%0.344SS..EExtended strand (participates in β ladder)trans-124.4126.9179.1-53.5-67.7000109.2Q123 T142 S144Q123-H125 VanDerWaalsContact CG-CE1 3.43Å; Q123-H125 WeakPolarHBondContact CG-CE1 3.22Å; H125-T142 PolarHBondContact N-O 3.06Å; H125-T142 PolarHBondContact O-N 2.98Å; H125-S144 PolarHBondContact NE2-OG 3.01Å
126C73.4Confident71.3Confident31 Ų3167 Ų6721%0.20937%0.374CS..EExtended strand (participates in β ladder)trans-96.6112.1171.3-165.30000108.8V39 C41 S128V39-C126 HydrophobicContact CG1-CB 3.52Å; C41-C126 VanDerWaalsContact CA-SG 3.6Å; C41-C126 HydrophobicContact CB-CB 4.21Å; C41-C126 WeakPolarHBondContact CB-SG 3.31Å; C41-C126 WeakPolarHBondContact SG-CB 3.45Å; C41-C126 CovalentContact SG-SG 2.06Å; C41-C126 PolarHBondContact SG-SG 2.86Å; C126-S128 PolarHBondContact O-N 3.14Å
127L59Low69.3Low93 Ų9371 Ų7149%0.48739%0.392SS..EExtended strand (participates in β ladder)trans-84.1107.4169.9-67.4172.3000107.6T129 R140 T142L127-T129 PolarHBondContact O-N 2.64Å; L127-R140 PolarHBondContact N-O 2.6Å; L127-T142 HydrophobicContact CD1-CG2 3.75Å
128S53.7Low67.9Low81 Ų8177.8 Ų77.857%0.56642%0.42SS*.  trans-58.5135.4165.654.80000109C126C126-S128 PolarHBondContact O-N 3.14Å
129T52.9Low66.8Low87 Ų8779.6 Ų79.653%0.53443%0.429SS..SBendtrans-21.7140.6176520000115.6L127 E139L127-T129 PolarHBondContact O-N 2.64Å; T129-E139 HydrophobicContact CG2-CG 4.33Å
130P47.1Very low66.1Low59 Ų5985.9 Ų85.938%0.38345%0.452SS..  trans-53.3148.6-175.1-19.727.5000113.1N132 E137P130-N132 PolarHBondContact O-N 3.45Å; P130-E137 HydrophobicContact CG-CB 4.15Å; P130-E137 WeakPolarHBondContact CG-OE2 3.24Å
131E52Low65.7Low200 Ų20086.6 Ų86.694%0.93546%0.456SS*.SBendtrans-53.8-13.7172.3-63.5-178167.900113.5P133E131-P133 WeakPolarHBondContact O-CD 3.45Å
132N49.4Very low65.4Low113 Ų11385.1 Ų85.160%0.60445%0.451SS*.  trans-109.399.2176-108.5-32.1000111.8P130 S134P130-N132 PolarHBondContact O-N 3.45Å; N132-S134 PolarHBondContact O-N 3.19Å
133P50.4Low65.3Low118 Ų11885.1 Ų85.177%0.76645%0.451SS*.THydrogen-bonded Turntrans-70.33.6177.127.5-34.1000114.2E131 I135E131-P133 WeakPolarHBondContact O-CD 3.45Å; P133-I135 PolarHBondContact O-N 2.93Å
134S54.1Low65.4Low99 Ų9984 Ų8469%0.69245%0.449SS*.THydrogen-bonded Turntrans-75.2-6.8-18056.40000114.2N132N132-S134 PolarHBondContact O-N 3.19Å
135I48.3Very low65.6Low98 Ų9884 Ų8450%0.50345%0.449SS..SBendtrans-121123.5174.9-47.3178.3000106.3P133 E137P133-I135 PolarHBondContact O-N 2.93Å; I135-E137 HydrophobicContact CB-CG 4.26Å; I135-E137 HydrophobicContact CG2-CG 3.72Å; I135-E137 PolarHBondContact O-N 2.73Å
136N47Very low65.9Low167 Ų16783.8 Ų83.889%0.89345%0.452SS*.  trans-67.964.3170.1-75.8-16.1000109.4
137E50.6Low66.6Low108 Ų10885.8 Ų85.851%0.50546%0.459SS..PPolyproline II helixtrans-78.9125.4172-80.5-180-167.100108.9P130 I135P130-E137 HydrophobicContact CG-CB 4.15Å; P130-E137 WeakPolarHBondContact CG-OE2 3.24Å; I135-E137 HydrophobicContact CB-CG 4.26Å; I135-E137 HydrophobicContact CG2-CG 3.72Å; I135-E137 PolarHBondContact O-N 2.73Å
138E61.4Low67.5Low171 Ų17182.6 Ų82.680%0.79944%0.442SS*.PPolyproline II helixtrans-60.7147.8172.7-63.8-179.7165.600109.7R140E138-R140 PolarHBondContact O-N 2.85Å
139E67.3Low68Low77 Ų7788.8 Ų88.836%0.3645%0.453SS..PPolyproline II helixtrans-51.9127.9173.4-71.7-179.9160.400109.9R47 T129R47-E139 IonicContact CZ-OE1 2.62Å; R47-E139 IonicContact CZ-OE2 3.47Å; R47-E139 IonicContact NH1-OE1 3.76Å; R47-E139 PolarHBondContact NH1-OE1 3.28Å; R47-E139 IonicContact NH1-OE2 3.67Å; R47-E139 PolarHBondContact NH1-OE2 2.86Å; R47-E139 IonicContact NH2-OE1 3.82Å; R47-E139 PolarHBondContact NH2-OE1 3.33Å; R47-E139 IonicContact NH2-OE2 2.79Å; T129-E139 HydrophobicContact CG2-CG 4.33Å
140R76Confident68.3Low135 Ų13586.9 Ų86.951%0.50944%0.439SS..EExtended strand (participates in β ladder)trans-109.7121-177.1-170-176.9-175.6-163.6-1.1109.8D79 L127 E138 T142D79-R140 IonicContact OD2-CZ 2.7Å; D79-R140 IonicContact OD2-NE 3.49Å; D79-R140 PolarHBondContact OD2-NE 2.83Å; D79-R140 IonicContact OD2-NH2 2.62Å; D79-R140 PolarHBondContact OD2-NH2 3.16Å; L127-R140 PolarHBondContact N-O 2.6Å; E138-R140 PolarHBondContact O-N 2.85Å; R140-T142 HydrophobicContact CG-CG2 4.25Å
141I83.9Confident68.3Low16 Ų1692.7 Ų92.78%0.08246%0.46CS..EExtended strand (participates in β ladder)trans-96.8122.8172.4-55.8174.9000107.8I67 V78 D79 I124I67-I141 HydrophobicContact CB-CD1 3.81Å; I67-I141 HydrophobicContact CG1-CD1 3.94Å; I67-I141 HydrophobicContact CG1-CG2 4.28Å; I67-I141 HydrophobicContact CG2-CD1 3.63Å; V78-I141 HydrophobicContact CG1-CG2 4.43Å; V78-I141 HydrophobicContact CG2-CG2 4.32Å; D79-I141 PolarHBondContact N-O 2.7Å; I124-I141 HydrophobicContact CG2-CG2 3.89Å
142T88.5Confident68.2Low5 Ų585.2 Ų85.23%0.03143%0.429CS..EExtended strand (participates in β ladder)trans-110.6161.8174.362.50000110.2D79 H125 L127 R140D79-T142 HydrophobicContact CB-CG2 4.24Å; D79-T142 CarbonylContact O-C 3.51Å; D79-T142 VanDerWaalsContact O-CA 3.22Å; D79-T142 WeakPolarHBondContact O-CA 3.44Å; H125-T142 PolarHBondContact N-O 3.06Å; H125-T142 PolarHBondContact O-N 2.98Å; L127-T142 HydrophobicContact CD1-CG2 3.75Å; R140-T142 HydrophobicContact CG-CG2 4.25Å
143A91.7Very high68.2Low0 Ų087.3 Ų87.30%044%0.44CS..EExtended strand (participates in β ladder)trans-147.4148.7170.300000110.8V78 D79 L80 E81 L122 Q123V78-A143 HydrophobicContact CG1-CB 3.55Å; D79-A143 PolarHBondContact O-N 3.1Å; L80-A143 WeakPolarHBondContact CA-O 3.12Å; L80-A143 HydrophobicContact CD2-CB 3.97Å; E81-A143 PolarHBondContact N-O 3.34Å; L122-A143 HydrophobicContact CD1-CB 3.73Å; L122-A143 HydrophobicContact CG-CB 4.43Å; Q123-A143 CarbonylContact O-C 3.51Å; Q123-A143 WeakPolarHBondContact O-CA 3.35Å; Q123-A143 VanDerWaalsContact O-CB 3.24Å; Q123-A143 WeakPolarHBondContact O-CB 3.17Å
144S92.4Very high68.2Low28 Ų2883.7 Ų83.720%0.19641%0.414CS..EExtended strand (participates in β ladder)trans-104.7121.8172.857.70000109.2Q123 H125Q123-S144 PolarHBondContact N-O 3.47Å; Q123-S144 PolarHBondContact O-N 3.34Å; H125-S144 PolarHBondContact NE2-OG 3.01Å
145L93.6Very high68Low10 Ų1086.4 Ų86.45%0.05242%0.416CS..EExtended strand (participates in β ladder)trans-100.1128.1174-173.269.1000108.5T83 I84 L89 I106 L120 R121 L122T83-L145 PolarHBondContact OG1-O 3.28Å; I84-L145 HydrophobicContact CD1-CB 4.25Å; I84-L145 HydrophobicContact CD1-CD2 3.95Å; I84-L145 HydrophobicContact CD1-CG 3.65Å; I84-L145 WeakPolarHBondContact CD1-O 3.3Å; L89-L145 HydrophobicContact CD2-CD1 3.85Å; L89-L145 HydrophobicContact CD2-CD2 4.05Å; L89-L145 HydrophobicContact CG-CD2 4.11Å; I106-L145 HydrophobicContact CD1-CD1 4.48Å; L120-L145 HydrophobicContact CB-CD1 3.98Å; L120-L145 HydrophobicContact CD1-CD1 4.28Å; L120-L145 HydrophobicContact CD1-CD2 4.38Å; R121-L145 WeakPolarHBondContact O-CA 3.5Å; L122-L145 HydrophobicContact CB-CD1 3.88Å; L122-L145 HydrophobicContact CD1-CB 4.16Å; L122-L145 HydrophobicContact CD1-CD1 3.96Å
146T91.9Very high68.2Low63 Ų6389.5 Ų89.539%0.38743%0.428SS..EExtended strand (participates in β ladder)trans-124.9145.3173.562.60000110.2I84 L120 R121I84-T146 VanDerWaalsContact CD1-C 3.4Å; L120-T146 CarbonylContact C-O 3.59Å; L120-T146 WeakPolarHBondContact CA-O 2.99Å; R121-T146 PolarHBondContact N-O 2.98Å; R121-T146 PolarHBondContact O-N 2.92Å
147Q87.5Confident68.7Low74 Ų7481.8 Ų81.835%0.34639%0.386SS..EExtended strand (participates in β ladder)trans-101128171.7177.1174.9-40.800108.3I84 L120 R149I84-Q147 HydrophobicContact CD1-CB 3.89Å; I84-Q147 VanDerWaalsContact CD1-N 3.28Å; I84-Q147 HydrophobicContact CG2-CB 4.34Å; L120-Q147 HydrophobicContact CD2-CB 3.66Å; L120-Q147 HydrophobicContact CD2-CG 3.89Å; Q147-R149 PolarHBondContact O-N 3.32Å
148D77.5Confident69Low26 Ų2677.8 Ų77.814%0.13937%0.368CS..  trans-71.4115.9173.8-145.1-38.8000109.4L119 R121 I150 Y197 N202L119-D148 HydrophobicContact CD2-CB 4.26Å; L119-D148 PolarHBondContact O-N 3.27Å; L119-D148 VanDerWaalsContact O-N 3.12Å; R121-D148 IonicContact NE-OD2 2.6Å; R121-D148 PolarHBondContact NE-OD2 3.12Å; D148-I150 PolarHBondContact O-N 3.48Å; D148-Y197 PolarHBondContact OD2-OH 2.77Å; D148-Y197 VanDerWaalsContact OD2-OH 3.1Å; D148-N202 PolarHBondContact OD1-ND2 2.65Å; D148-N202 PolarHBondContact OD2-ND2 3.1Å; D148-N202 PolarHBondContact OD2-OD1 3.46Å
149R65.2Low68.9Low210 Ų21077.8 Ų77.879%0.79236%0.362SS*.  trans-87.587.1171.5-70.9-173.4-75.2-161.1-5.2106.5Q147 H151Q147-R149 PolarHBondContact O-N 3.32Å; R149-H151 PolarHBondContact O-N 2.81Å
150I57.7Low69.5Low48 Ų4878.2 Ų78.225%0.24636%0.364CS..  trans-50.2132.5-171.7-62.7156.9000112.3D148 T152 I158D148-I150 PolarHBondContact O-N 3.48Å; I150-T152 WeakPolarHBondContact CG2-OG1 3.37Å; I150-I158 HydrophobicContact CB-CD1 4.24Å; I150-I158 HydrophobicContact CD1-CB 4.24Å; I150-I158 HydrophobicContact CD1-CD1 3.73Å; I150-I158 HydrophobicContact CD1-CG1 3.81Å; I150-I158 HydrophobicContact CD1-CG2 3.37Å; I150-I158 HydrophobicContact CG1-CD1 4.44Å; I150-I158 HydrophobicContact CG2-CD1 3.5Å; I150-I158 VanDerWaalsContact CG2-CD1 3.5Å
151H48.3Very low70.1Confident180 Ų18073.9 Ų73.983%0.83335%0.353SS*.  trans-10312.3176.3-86.1-74.2000114.3R149R149-H151 PolarHBondContact O-N 2.81Å
152T49.8Very low70.5Confident44 Ų4473.1 Ų73.127%0.2735%0.349SS..SBendtrans-105.5147.8-171.759.90000115.1I150 I154I150-T152 WeakPolarHBondContact CG2-OG1 3.37Å; T152-I154 PolarHBondContact O-N 3.22Å
153D48.7Very low70.8Confident157 Ų15773.5 Ų73.584%0.8435%0.352SS*.SBendtrans-68.44.5-175.3-73.9-37.9000116.7Q155D153-Q155 PolarHBondContact O-N 3.02Å
154I51.9Low70.5Confident42 Ų4273.6 Ų73.622%0.21535%0.352CS..  trans-8169176.2-48-171.3000109.9T152 Q156 F157 W204T152-I154 PolarHBondContact O-N 3.22Å; I154-Q156 PolarHBondContact O-N 3.4Å; I154-F157 HydrophobicContact CG2-CB 3.9Å; I154-W204 HydrophobicContact CD1-CB 4.23Å; I154-W204 WeakPolarHBondContact CD1-O 3.49Å
155Q48.5Very low69.8Low156 Ų15672.8 Ų72.873%0.72935%0.346SS*.THydrogen-bonded Turntrans-59.4-14.9176.9-66.9-172.9-6.600113.5D153 Y159D153-Q155 PolarHBondContact O-N 3.02Å; Q155-Y159 VanDerWaalsContact O-CD2 3.28Å; Q155-Y159 WeakPolarHBondContact O-CD2 3.16Å
156Q53.9Low68.6Low163 Ų16373.1 Ų73.176%0.76235%0.349SS*.THydrogen-bonded Turntrans-92.4-34.1-174.3-71.6-175-1.900114.7I154 H160I154-Q156 PolarHBondContact O-N 3.4Å; Q156-H160 PolarHBondContact O-CE1 3.41Å; Q156-H160 PolarHBondContact O-ND1 3.3Å
157F55.9Low67.7Low4 Ų470.1 Ų70.12%0.01833%0.33CS..THydrogen-bonded Turntrans-86.8-41.7-173.8173.8-118.4000113.8F107 I154 Y159 H160 V178 Y195 W204F107-F157 HydrophobicContact CE1-CZ 4.45Å; F107-F157 HydrophobicContact CZ-CE1 4.29Å; F107-F157 AromaticContact CZ-CZ 3.95Å; F107-F157 HydrophobicContact CZ-CZ 3.95Å; I154-F157 HydrophobicContact CG2-CB 3.9Å; F157-Y159 PolarHBondContact O-N 3.37Å; F157-H160 PolarHBondContact O-N 3.1Å; F157-V178 HydrophobicContact CZ-CG1 4.19Å; F157-Y195 HydrophobicContact CB-CD1 3.96Å; F157-Y195 HydrophobicContact CB-CE1 3.6Å; F157-Y195 AromaticContact CD1-CD1 3.63Å; F157-Y195 HydrophobicContact CD1-CD1 3.63Å; F157-Y195 HydrophobicContact CD1-CE1 4.08Å; F157-Y195 AromaticContact CD1-CG 3.96Å; F157-Y195 HydrophobicContact CD1-CG 3.96Å; F157-Y195 AromaticContact CD2-CD1 3.33Å; F157-Y195 HydrophobicContact CD2-CD1 3.33Å; F157-Y195 AromaticContact CD2-CD2 3.65Å; F157-Y195 HydrophobicContact CD2-CD2 3.65Å; F157-Y195 AromaticContact CD2-CE1 3.02Å; F157-Y195 HydrophobicContact CD2-CE1 3.02Å; F157-Y195 AromaticContact CD2-CE2 3.34Å; F157-Y195 HydrophobicContact CD2-CE2 3.34Å; F157-Y195 AromaticContact CD2-CG 3.62Å; F157-Y195 HydrophobicContact CD2-CG 3.62Å; F157-Y195 AromaticContact CD2-CZ 2.99Å; F157-Y195 WeakPolarHBondContact CD2-OH 3.49Å; F157-Y195 AromaticContact CE1-CD1 3.92Å; F157-Y195 HydrophobicContact CE1-CD1 3.92Å; F157-Y195 HydrophobicContact CE1-CD2 4.28Å; F157-Y195 AromaticContact CE1-CG 3.73Å; F157-Y195 HydrophobicContact CE1-CG 3.73Å; F157-Y195 AromaticContact CE2-CD1 3.6Å; F157-Y195 HydrophobicContact CE2-CD1 3.6Å; F157-Y195 AromaticContact CE2-CD2 3.09Å; F157-Y195 HydrophobicContact CE2-CD2 3.09Å; F157-Y195 AromaticContact CE2-CE1 3.63Å; F157-Y195 HydrophobicContact CE2-CE1 3.63Å; F157-Y195 AromaticContact CE2-CE2 3.09Å; F157-Y195 HydrophobicContact CE2-CE2 3.09Å; F157-Y195 AromaticContact CE2-CG 3.32Å; F157-Y195 HydrophobicContact CE2-CG 3.32Å; F157-Y195 AromaticContact CE2-CZ 3.36Å; F157-Y195 AromaticContact CG-CD1 3.3Å; F157-Y195 HydrophobicContact CG-CD1 3.3Å; F157-Y195 HydrophobicContact CG-CD2 4.4Å; F157-Y195 AromaticContact CG-CE1 3.25Å; F157-Y195 HydrophobicContact CG-CE1 3.25Å; F157-Y195 HydrophobicContact CG-CE2 4.33Å; F157-Y195 AromaticContact CG-CG 3.89Å; F157-Y195 HydrophobicContact CG-CG 3.89Å; F157-Y195 AromaticContact CG-CZ 3.78Å; F157-Y195 AromaticContact CZ-CD1 3.88Å; F157-Y195 HydrophobicContact CZ-CD1 3.88Å; F157-Y195 AromaticContact CZ-CD2 3.47Å; F157-Y195 HydrophobicContact CZ-CD2 3.47Å; F157-Y195 VanDerWaalsContact CZ-CD2 3.47Å; F157-Y195 HydrophobicContact CZ-CE1 4.37Å; F157-Y195 AromaticContact CZ-CE2 3.97Å; F157-Y195 HydrophobicContact CZ-CE2 3.97Å; F157-Y195 AromaticContact CZ-CG 3.38Å; F157-Y195 HydrophobicContact CZ-CG 3.38Å; F157-W204 HydrophobicContact CD1-CD2 4.07Å; F157-W204 AromaticContact CD1-CE3 3.94Å; F157-W204 HydrophobicContact CD1-CE3 3.94Å; F157-W204 HydrophobicContact CD1-CG 4.42Å; F157-W204 HydrophobicContact CD1-CZ3 4.43Å; F157-W204 AromaticContact CE1-CD2 3.83Å; F157-W204 HydrophobicContact CE1-CD2 3.83Å; F157-W204 AromaticContact CE1-CE3 3.45Å; F157-W204 HydrophobicContact CE1-CE3 3.45Å; F157-W204 VanDerWaalsContact CE1-CE3 3.45Å; F157-W204 AromaticContact CE1-CH2 3.91Å; F157-W204 HydrophobicContact CE1-CH2 3.91Å; F157-W204 HydrophobicContact CE1-CZ2 4.26Å; F157-W204 AromaticContact CE1-CZ3 3.5Å; F157-W204 HydrophobicContact CE1-CZ3 3.5Å; F157-W204 HydrophobicContact CZ-CE3 4.48Å; F157-W204 HydrophobicContact CZ-CZ3 4.18Å
158I57.1Low67.3Low25 Ų2567.8 Ų67.813%0.12832%0.321CS..THydrogen-bonded Turntrans-62.1-10.1-170-66158.4000112.5S117 I150S117-I158 WeakPolarHBondContact CB-O 3.35Å; S117-I158 PolarHBondContact OG-O 3.21Å; I150-I158 HydrophobicContact CB-CD1 4.24Å; I150-I158 HydrophobicContact CD1-CB 4.24Å; I150-I158 HydrophobicContact CD1-CD1 3.73Å; I150-I158 HydrophobicContact CD1-CG1 3.81Å; I150-I158 HydrophobicContact CD1-CG2 3.37Å; I150-I158 HydrophobicContact CG1-CD1 4.44Å; I150-I158 HydrophobicContact CG2-CD1 3.5Å; I150-I158 VanDerWaalsContact CG2-CD1 3.5Å
159Y59.2Low67.9Low170 Ų17067 Ų6767%0.66732%0.318SS*.THydrogen-bonded Turntrans-111.724.8175-52.9-73.1000114.7Q155 F157 P161Q155-Y159 VanDerWaalsContact O-CD2 3.28Å; Q155-Y159 WeakPolarHBondContact O-CD2 3.16Å; F157-Y159 PolarHBondContact O-N 3.37Å; Y159-P161 WeakPolarHBondContact O-CD 3.38Å
160H79.5Confident69.1Low87 Ų8758 Ų5840%0.40329%0.285SS..  trans-104.182.3165-68.385.7000109.9Q156 F157 R162Q156-H160 PolarHBondContact O-CE1 3.41Å; Q156-H160 PolarHBondContact O-ND1 3.3Å; F157-H160 PolarHBondContact O-N 3.1Å; H160-R162 PolarHBondContact O-NE 3.47Å
161P88.7Confident70.8Confident43 Ų4355.7 Ų55.728%0.27927%0.273SS..  trans-51.8141.4172.9-23.129.7000111.9P115 L116 Y159P115-P161 HydrophobicContact CB-CB 3.59Å; P115-P161 HydrophobicContact CG-CB 3.74Å; P115-P161 VanDerWaalsContact O-CB 3.28Å; P115-P161 WeakPolarHBondContact O-CB 3.42Å; L116-P161 WeakPolarHBondContact O-CA 3.33Å; Y159-P161 WeakPolarHBondContact O-CD 3.38Å
162R94Very high72.7Confident0 Ų047.7 Ų47.70%024%0.236CC..  trans-157151.5-179.761.1-172.671.7-151.6-5.5112.3F107 G109 L116 H160 Q164 S180 G182 V189 D191F107-R162 HydrophobicContact CE1-CG 4.05Å; G109-R162 PolarHBondContact N-O 2.66Å; G109-R162 VanDerWaalsContact N-O 3.09Å; L116-R162 PolarHBondContact O-N 2.83Å; L116-R162 VanDerWaalsContact O-N 3.14Å; H160-R162 PolarHBondContact O-NE 3.47Å; R162-Q164 HydrophobicContact CG-CG 4.01Å; R162-S180 WeakPolarHBondContact CD-O 3.26Å; R162-S180 PolarHBondContact NH1-O 2.99Å; R162-G182 CarbonylContact C-O 3.53Å; R162-G182 VanDerWaalsContact CA-O 3.23Å; R162-G182 WeakPolarHBondContact CA-O 3.45Å; R162-V189 HydrophobicContact CB-CG1 3.8Å; R162-D191 IonicContact CZ-OD1 2.75Å; R162-D191 IonicContact CZ-OD2 2.63Å; R162-D191 IonicContact NH1-OD1 3.67Å; R162-D191 PolarHBondContact NH1-OD1 2.88Å; R162-D191 IonicContact NH1-OD2 2.77Å; R162-D191 PolarHBondContact NH1-OD2 3.23Å; R162-D191 IonicContact NH2-OD1 3.48Å; R162-D191 IonicContact NH2-OD2 3.8Å; R162-D191 PolarHBondContact NH2-OD2 3.23Å
163T94.1Very high74.6Confident14 Ų1447.1 Ų47.19%0.08623%0.229CC..BIsolated β-bridgetrans-91.9145.3164.870.30000110.6E93 A110 G181 G182E93-T163 HydrophobicContact CB-CG2 4.04Å; E93-T163 CarbonylContact O-C 3.55Å; E93-T163 WeakPolarHBondContact O-CA 3.25Å; E93-T163 WeakPolarHBondContact OE2-CB 3.35Å; E93-T163 WeakPolarHBondContact OE2-CG2 3.22Å; E93-T163 PolarHBondContact OE2-OG1 2.86Å; A110-T163 HydrophobicContact CB-CG2 3.68Å; T163-G181 CarbonylContact O-C 3.58Å; T163-G181 WeakPolarHBondContact O-CA 3.3Å; T163-G182 PolarHBondContact N-O 2.97Å; T163-G182 PolarHBondContact O-N 2.63Å; T163-G182 WeakPolarHBondContact OG1-CA 3.17Å
164Q85.8Confident76.7Confident1 Ų140 Ų401%0.00519%0.192CC..  trans-142.743-169.9-73.3-139.2-61.900112.1E93 S95 R162 S166 S167 V178E93-Q164 PolarHBondContact O-N 2.78Å; S95-Q164 PolarHBondContact OG-OE1 3.13Å; R162-Q164 HydrophobicContact CG-CG 4.01Å; Q164-S166 PolarHBondContact O-N 2.98Å; Q164-S167 WeakPolarHBondContact CA-OG 3.2Å; Q164-S167 WeakPolarHBondContact CB-OG 3.19Å; Q164-S167 VanDerWaalsContact CG-OG 3.32Å; Q164-S167 WeakPolarHBondContact CG-OG 3.31Å; Q164-S167 PolarHBondContact NE2-O 3Å; Q164-S167 VanDerWaalsContact NE2-O 3.17Å; Q164-S167 PolarHBondContact NE2-OG 2.82Å; Q164-S167 PolarHBondContact O-N 3.38Å; Q164-S167 VanDerWaalsContact O-N 3.09Å; Q164-S167 PolarHBondContact O-OG 3.5Å; Q164-V178 VanDerWaalsContact NE2-CG1 3.29Å
165N77Confident78.6Confident12 Ų1238.2 Ų38.26%0.06418%0.182CC..THydrogen-bonded Turntrans-54.3113.8174.6-178.523000110.1E93 S167 D380E93-N165 HydrophobicContact CB-CB 4.06Å; E93-N165 HydrophobicContact CG-CB 4.02Å; N165-S167 PolarHBondContact O-N 3.44Å; N165-S167 VanDerWaalsContact O-N 3.17Å; N165-D380 PolarHBondContact ND2-OD1 2.82Å
166S69.5Low80.7Confident16 Ų1630.8 Ų30.811%0.11215%0.147CC..THydrogen-bonded Turntrans6310.3-178.8-590000116.6Q164 V168 H220 M222 Y383Q164-S166 PolarHBondContact O-N 2.98Å; S166-V168 PolarHBondContact O-N 2.75Å; S166-H220 CarbonylContact C-O 3.52Å; S166-M222 PolarHBondContact O-N 3.2Å; S166-Y383 WeakPolarHBondContact CB-OH 3.01Å; S166-Y383 WeakPolarHBondContact OG-CE1 3.21Å; S166-Y383 PolarHBondContact OG-OH 3.36Å
167S72Confident82.6Confident1 Ų123 Ų231%0.00711%0.111CC..  trans-10550.9-173.974.60000112.7Q164 N165 H220Q164-S167 WeakPolarHBondContact CA-OG 3.2Å; Q164-S167 WeakPolarHBondContact CB-OG 3.19Å; Q164-S167 VanDerWaalsContact CG-OG 3.32Å; Q164-S167 WeakPolarHBondContact CG-OG 3.31Å; Q164-S167 PolarHBondContact NE2-O 3Å; Q164-S167 VanDerWaalsContact NE2-O 3.17Å; Q164-S167 PolarHBondContact NE2-OG 2.82Å; Q164-S167 PolarHBondContact O-N 3.38Å; Q164-S167 VanDerWaalsContact O-N 3.09Å; Q164-S167 PolarHBondContact O-OG 3.5Å; N165-S167 PolarHBondContact O-N 3.44Å; N165-S167 VanDerWaalsContact O-N 3.17Å; S167-H220 VanDerWaalsContact CB-CE1 3.47Å; S167-H220 WeakPolarHBondContact CB-CE1 3.49Å; S167-H220 WeakPolarHBondContact CB-NE2 3.37Å
168V79.8Confident84.4Confident25 Ų2522.8 Ų22.815%0.15211%0.11CC..EExtended strand (participates in β ladder)trans-140.5148.1-179.463.20000111.6S95 S96 A97 S166 L176S95-V168 WeakPolarHBondContact OG-CB 3.35Å; S95-V168 WeakPolarHBondContact OG-CG2 3.4Å; S96-V168 VanDerWaalsContact O-CG1 3.31Å; S96-V168 WeakPolarHBondContact O-CG1 3.08Å; A97-V168 HydrophobicContact CB-CG2 4.45Å; S166-V168 PolarHBondContact O-N 2.75Å; V168-L176 HydrophobicContact CG2-CD1 3.12Å; V168-L176 HydrophobicContact CG2-CG 4.07Å
169S89Confident86.1Confident9 Ų921.7 Ų21.76%0.06310%0.104CC..EExtended strand (participates in β ladder)trans-148145.3176.1-84.90000110.2I177 M222 L223 Y224 L243S169-I177 PolarHBondContact O-N 3.03Å; S169-M222 PolarHBondContact OG-O 2.76Å; S169-L223 WeakPolarHBondContact OG-CA 3.34Å; S169-L223 PolarHBondContact OG-N 2.88Å; S169-Y224 PolarHBondContact OG-N 3.06Å; S169-L243 VanDerWaalsContact CB-CD1 3.48Å; S169-L243 WeakPolarHBondContact OG-CD1 3.2Å
170L92Very high87.8Confident20 Ų2013.6 Ų13.611%0.1057%0.073CC..EExtended strand (participates in β ladder)trans-108.9132.9176.2-162.877.2000109.4A97 I98 L99 Q175 Y224A97-L170 HydrophobicContact CB-CB 4.23Å; A97-L170 HydrophobicContact CB-CD1 4.17Å; I98-L170 WeakPolarHBondContact O-CD2 3.37Å; L99-L170 HydrophobicContact CD2-CD1 3.74Å; L99-L170 HydrophobicContact CD2-CD2 3.98Å; L170-Q175 WeakPolarHBondContact CA-O 3.48Å; L170-Y224 WeakPolarHBondContact O-CB 3.31Å; L170-Y224 VanDerWaalsContact O-CD1 3.3Å; L170-Y224 WeakPolarHBondContact O-CD1 3.33Å
171T91.8Very high88.5Confident0 Ų09.5 Ų9.50%05%0.054CC..  trans-78.5172.1172.774.70000111.5Y173 N174 Q175 I177 Y224 P239T171-Y173 PolarHBondContact O-N 3.49Å; T171-Y173 PolarHBondContact OG1-N 3.1Å; T171-N174 PolarHBondContact O-N 3.46Å; T171-N174 VanDerWaalsContact O-N 3.16Å; T171-Q175 HydrophobicContact CG2-CB 4.06Å; T171-Q175 PolarHBondContact N-O 2.54Å; T171-Q175 VanDerWaalsContact OG1-CB 3.3Å; T171-Q175 WeakPolarHBondContact OG1-CB 3.26Å; T171-Q175 PolarHBondContact OG1-N 2.68Å; T171-Q175 PolarHBondContact OG1-OE1 2.94Å; T171-I177 HydrophobicContact CG2-CD1 3.62Å; T171-I177 HydrophobicContact CG2-CG1 3.99Å; T171-Y224 HydrophobicContact CG2-CE2 3.89Å; T171-P239 HydrophobicContact CG2-CB 3.98Å; T171-P239 HydrophobicContact CG2-CG 3.87Å
172E88.8Confident88.8Confident12 Ų127.5 Ų7.56%0.0564%0.041CC..THydrogen-bonded Turntrans-62.1-8.8172.373.1-85.6-155.400115Y224 F226 P227 L230 K240E172-Y224 WeakPolarHBondContact OE2-CE1 3.38Å; E172-Y224 PolarHBondContact OE2-OH 2.87Å; E172-F226 HydrophobicContact CB-CD1 3.78Å; E172-F226 HydrophobicContact CB-CE1 4.03Å; E172-P227 HydrophobicContact CB-CG 4.46Å; E172-P227 HydrophobicContact CG-CG 4.1Å; E172-L230 HydrophobicContact CB-CD2 3.5Å; E172-L230 VanDerWaalsContact CB-CD2 3.5Å; E172-L230 HydrophobicContact CG-CD2 3.82Å; E172-K240 PolarHBondContact OE1-N 3.36Å
173Y90.3Very high88.7Confident32 Ų3211.1 Ų11.113%0.1256%0.06CC..THydrogen-bonded Turntrans-110.928177.5-55.7-67.2000112.1T171 Q175 N234 R237 I238T171-Y173 PolarHBondContact O-N 3.49Å; T171-Y173 PolarHBondContact OG1-N 3.1Å; Y173-Q175 PolarHBondContact O-N 2.85Å; Y173-Q175 VanDerWaalsContact O-N 3.14Å; Y173-N234 HydrophobicContact CE1-CB 4.29Å; Y173-N234 WeakPolarHBondContact OH-CB 3.42Å; Y173-N234 PolarHBondContact OH-ND2 2.92Å; Y173-R237 HydrophobicContact CD1-CB 4.49Å; Y173-R237 HydrophobicContact CD2-CB 4.36Å; Y173-R237 HydrophobicContact CG-CB 4.16Å; Y173-R237 PolarHBondContact O-NH1 2.71Å; Y173-R237 PolarHBondContact O-NH2 3.47Å; Y173-I238 WeakPolarHBondContact CE2-O 3.31Å
174N91.8Very high88.5Confident9 Ų914.7 Ų14.75%0.0488%0.082CC..SBendtrans55.133.9-178.8-66.4-30.4000112.9L99 N100 T171 S199 E200L99-N174 HydrophobicContact CD2-CB 3.86Å; N100-N174 PolarHBondContact N-OD1 3.24Å; N100-N174 PolarHBondContact ND2-OD1 2.87Å; N100-N174 PolarHBondContact OD1-OD1 3.23Å; T171-N174 PolarHBondContact O-N 3.46Å; T171-N174 VanDerWaalsContact O-N 3.16Å; N174-S199 WeakPolarHBondContact CB-OG 3.37Å; N174-S199 WeakPolarHBondContact O-CB 3.18Å; N174-S199 PolarHBondContact O-N 2.9Å; N174-S199 PolarHBondContact O-OG 2.9Å; N174-E200 PolarHBondContact ND2-OE1 3.29Å
175Q92.3Very high88.7Confident3 Ų318 Ų181%0.01412%0.117CC..EExtended strand (participates in β ladder)trans-100.4123.9177.4-60.1154-36.600110L170 T171 Y173 M196 Y197 D198 R237L170-Q175 WeakPolarHBondContact CA-O 3.48Å; T171-Q175 HydrophobicContact CG2-CB 4.06Å; T171-Q175 PolarHBondContact N-O 2.54Å; T171-Q175 VanDerWaalsContact OG1-CB 3.3Å; T171-Q175 WeakPolarHBondContact OG1-CB 3.26Å; T171-Q175 PolarHBondContact OG1-N 2.68Å; T171-Q175 PolarHBondContact OG1-OE1 2.94Å; Y173-Q175 PolarHBondContact O-N 2.85Å; Y173-Q175 VanDerWaalsContact O-N 3.14Å; Q175-M196 HydrophobicContact CB-CG 3.75Å; Q175-M196 HydrophobicContact CB-SD 3.91Å; Q175-M196 HydrophobicContact CG-CG 4.36Å; Q175-M196 HydrophobicContact CG-SD 4.12Å; Q175-Y197 CarbonylContact C-O 3.58Å; Q175-Y197 WeakPolarHBondContact CA-O 3.3Å; Q175-D198 HydrophobicContact CG-CB 4.23Å; Q175-D198 PolarHBondContact NE2-OD2 2.96Å; Q175-D198 VanDerWaalsContact NE2-OD2 3.15Å; Q175-R237 PolarHBondContact NE2-O 3.08Å; Q175-R237 PolarHBondContact OE1-O 2.92Å
176L92.9Very high89.4Confident0 Ų019.1 Ų19.10%013%0.125CC..EExtended strand (participates in β ladder)trans-81.8119.5177.8-177.583000109.2A97 I105 F107 L119 V168 V178 M196 Y197 W204A97-L176 HydrophobicContact CB-CD1 4Å; I105-L176 HydrophobicContact CG2-CD2 4.16Å; F107-L176 HydrophobicContact CB-CD2 3.93Å; F107-L176 HydrophobicContact CG-CD2 4.46Å; L119-L176 HydrophobicContact CD1-CD2 4.46Å; V168-L176 HydrophobicContact CG2-CD1 3.12Å; V168-L176 HydrophobicContact CG2-CG 4.07Å; L176-V178 HydrophobicContact CD2-CG2 4.11Å; L176-V178 HydrophobicContact CG-CG2 4.29Å; L176-M196 CarbonylContact O-C 3.59Å; L176-M196 VanDerWaalsContact O-CA 3.3Å; L176-M196 WeakPolarHBondContact O-CA 3.41Å; L176-Y197 HydrophobicContact CB-CD1 4.47Å; L176-Y197 PolarHBondContact N-O 3.46Å; L176-Y197 PolarHBondContact O-N 3.3Å; L176-W204 HydrophobicContact CD2-CH2 4.01Å
177I93.4Very high90.6Very high0 Ų023.1 Ų23.10%014%0.143CC..EExtended strand (participates in β ladder)trans-98.3130.6174.2-55.8-179.7000110S169 T171 V194 Y195 M196 M222 Y224 L243 F263S169-I177 PolarHBondContact O-N 3.03Å; T171-I177 HydrophobicContact CG2-CD1 3.62Å; T171-I177 HydrophobicContact CG2-CG1 3.99Å; I177-V194 HydrophobicContact CG2-CG1 3.68Å; I177-Y195 WeakPolarHBondContact CA-O 3.13Å; I177-M196 HydrophobicContact CG1-CG 4.5Å; I177-M222 HydrophobicContact CG2-CE 4.22Å; I177-Y224 HydrophobicContact CD1-CE2 4.41Å; I177-L243 HydrophobicContact CG2-CD2 3.92Å; I177-F263 HydrophobicContact CD1-CE1 4.2Å; I177-F263 HydrophobicContact CD1-CE2 4.48Å; I177-F263 HydrophobicContact CD1-CZ 3.58Å
178V93.3Very high91.7Very high0 Ų024.1 Ų24.10%015%0.149CC..EExtended strand (participates in β ladder)trans-122.2122.8179.7171.90000108.2F107 F157 Q164 L176 Y195 W204F107-V178 HydrophobicContact CD1-CG1 4.47Å; F107-V178 HydrophobicContact CD1-CG2 3.89Å; F107-V178 HydrophobicContact CE1-CG1 3.91Å; F107-V178 HydrophobicContact CE1-CG2 4.03Å; F157-V178 HydrophobicContact CZ-CG1 4.19Å; Q164-V178 VanDerWaalsContact NE2-CG1 3.29Å; L176-V178 HydrophobicContact CD2-CG2 4.11Å; L176-V178 HydrophobicContact CG-CG2 4.29Å; V178-Y195 HydrophobicContact CG1-CD2 4.45Å; V178-Y195 PolarHBondContact N-O 2.77Å; V178-Y195 PolarHBondContact O-N 2.63Å; V178-W204 HydrophobicContact CB-CZ3 4.5Å; V178-W204 HydrophobicContact CG2-CH2 3.92Å; V178-W204 HydrophobicContact CG2-CZ3 4.02Å
179F93.9Very high92.3Very high1 Ų123.3 Ų23.30%0.00414%0.144CC..EExtended strand (participates in β ladder)trans-131.4134.4172.2173.1-101.4000110.1V194 P214 H220 M222 I245 W277F179-V194 HydrophobicContact CD2-CG2 3.83Å; F179-P214 HydrophobicContact CE1-CB 4.17Å; F179-P214 HydrophobicContact CE1-CG 3.64Å; F179-P214 HydrophobicContact CZ-CB 4.21Å; F179-P214 HydrophobicContact CZ-CG 3.63Å; F179-H220 AromaticContact CD1-NE2 3.93Å; F179-H220 PolarHBondContact O-CE1 3.37Å; F179-H220 PolarHBondContact O-NE2 3.06Å; F179-M222 HydrophobicContact CB-CE 4.11Å; F179-M222 HydrophobicContact CB-SD 4.12Å; F179-I245 HydrophobicContact CB-CD1 4.46Å; F179-I245 HydrophobicContact CD1-CD1 3.31Å; F179-I245 HydrophobicContact CE1-CD1 3.78Å; F179-I245 HydrophobicContact CG-CD1 4.06Å; F179-W277 HydrophobicContact CD2-CZ2 4.37Å
180S93.9Very high92.4Very high0 Ų028.7 Ų28.70%018%0.182CC..  trans48.1-142.5179.4-157.50000113.4R162 S216 R217R162-S180 WeakPolarHBondContact CD-O 3.26Å; R162-S180 PolarHBondContact NH1-O 2.99Å; S180-S216 VanDerWaalsContact OG-CA 3.24Å; S180-S216 WeakPolarHBondContact OG-CA 3.33Å; S180-S216 WeakPolarHBondContact OG-CB 3.4Å; S180-R217 WeakPolarHBondContact CB-O 3.49Å; S180-R217 PolarHBondContact OG-N 3.38Å; S180-R217 PolarHBondContact OG-O 2.89Å
181G94.5Very high92.4Very high1 Ų128.7 Ų28.71%0.0118%0.182CC..  trans124.3173.1-175.600000113.1T163 P188 V189 R217T163-G181 CarbonylContact O-C 3.58Å; T163-G181 WeakPolarHBondContact O-CA 3.3Å; G181-P188 CarbonylContact O-C 3.52Å; G181-P188 WeakPolarHBondContact O-CA 3.31Å; G181-P188 WeakPolarHBondContact O-CB 3.37Å; G181-V189 PolarHBondContact O-N 2.73Å; G181-R217 PolarHBondContact N-O 2.79Å; G181-R217 VanDerWaalsContact N-O 3.14Å
182G94.1Very high92.2Very high1 Ų132.8 Ų32.81%0.0120%0.204CC..EExtended strand (participates in β ladder)trans-81.4142.6176.600000112.5R162 T163R162-G182 CarbonylContact C-O 3.53Å; R162-G182 VanDerWaalsContact CA-O 3.23Å; R162-G182 WeakPolarHBondContact CA-O 3.45Å; T163-G182 PolarHBondContact N-O 2.97Å; T163-G182 PolarHBondContact O-N 2.63Å; T163-G182 WeakPolarHBondContact OG1-CA 3.17Å
183N92.6Very high92.3Very high76 Ų7636.4 Ų36.441%0.40622%0.219SC..EExtended strand (participates in β ladder)trans-105.9-60.8173177.130.9000110.8Q187 V189N183-Q187 PolarHBondContact N-O 3.03Å; N183-V189 HydrophobicContact CB-CG1 4.06Å
184V90.7Very high92.5Very high89 Ų8934.9 Ų34.954%0.53921%0.213SC..EExtended strand (participates in β ladder)trans-149.5129.2179.461.50000110.3S186 Q187V184-S186 PolarHBondContact O-N 2.9Å; V184-Q187 HydrophobicContact CG1-CB 4.29Å; V184-Q187 PolarHBondContact N-O 2.94Å; V184-Q187 VanDerWaalsContact O-CB 3.31Å; V184-Q187 WeakPolarHBondContact O-CB 3.31Å; V184-Q187 PolarHBondContact O-N 3.16Å
185G89.6Confident92.4Very high72 Ų7235 Ų3574%0.74221%0.213SC*.THydrogen-bonded Turntrans52.7-129.1-177.200000111.5Q187G185-Q187 VanDerWaalsContact C-N 3.29Å; G185-Q187 PolarHBondContact O-N 2.87Å
186S91.4Very high92.4Very high34 Ų3435.2 Ų35.224%0.23821%0.214CC..THydrogen-bonded Turntrans-85.27.7177.257.90000114.3V184 L218 N251 E252V184-S186 PolarHBondContact O-N 2.9Å; S186-L218 VanDerWaalsContact O-CD2 3.24Å; S186-L218 WeakPolarHBondContact O-CD2 3.37Å; S186-N251 VanDerWaalsContact O-CA 3.22Å; S186-N251 WeakPolarHBondContact O-CA 3.22Å; S186-N251 PolarHBondContact O-N 2.83Å; S186-E252 PolarHBondContact OG-OE1 2.94Å
187Q94.8Very high92.2Very high101 Ų10135.2 Ų35.247%0.47221%0.214SC..EExtended strand (participates in β ladder)trans-91.3123.6-179.7-61.3-174.1-18.600111.3N183 V184 G185N183-Q187 PolarHBondContact N-O 3.03Å; V184-Q187 HydrophobicContact CG1-CB 4.29Å; V184-Q187 PolarHBondContact N-O 2.94Å; V184-Q187 VanDerWaalsContact O-CB 3.31Å; V184-Q187 WeakPolarHBondContact O-CB 3.31Å; V184-Q187 PolarHBondContact O-N 3.16Å; G185-Q187 VanDerWaalsContact C-N 3.29Å; G185-Q187 PolarHBondContact O-N 2.87Å
188P94.9Very high92.1Very high22 Ų2235.5 Ų35.514%0.14322%0.216CC..EExtended strand (participates in β ladder)trans-70.9165.7171.830.8-34.1000111.5G181 L218 V250G181-P188 CarbonylContact O-C 3.52Å; G181-P188 WeakPolarHBondContact O-CA 3.31Å; G181-P188 WeakPolarHBondContact O-CB 3.37Å; P188-L218 HydrophobicContact CB-CD2 4.18Å; P188-V250 HydrophobicContact CG-CB 4.43Å; P188-V250 HydrophobicContact CG-CG2 4.23Å
189V93Very high91.9Very high8 Ų835.9 Ų35.95%0.04822%0.218CC..PPolyproline II helixtrans-59.6148.1165.3-62.90000110.7R162 G181 N183 S216R162-V189 HydrophobicContact CB-CG1 3.8Å; G181-V189 PolarHBondContact O-N 2.73Å; N183-V189 HydrophobicContact CB-CG1 4.06Å; V189-S216 WeakPolarHBondContact O-CB 3.3Å
190S91Very high91.6Very high122 Ų12241.5 Ų41.585%0.85325%0.245SC*.SBendtrans-83.8-16.8-175.758.50000114.2
191D90.6Very high91.3Very high19 Ų1946.6 Ų46.610%0.10227%0.271CS..  trans-72.7150.1175.569.989.6000111.4R162 Y195 S216R162-D191 IonicContact CZ-OD1 2.75Å; R162-D191 IonicContact CZ-OD2 2.63Å; R162-D191 IonicContact NH1-OD1 3.67Å; R162-D191 PolarHBondContact NH1-OD1 2.88Å; R162-D191 IonicContact NH1-OD2 2.77Å; R162-D191 PolarHBondContact NH1-OD2 3.23Å; R162-D191 IonicContact NH2-OD1 3.48Å; R162-D191 IonicContact NH2-OD2 3.8Å; R162-D191 PolarHBondContact NH2-OD2 3.23Å; D191-Y195 WeakPolarHBondContact OD1-CE2 3.1Å; D191-S216 PolarHBondContact O-OG 3.15Å
192D88.3Confident90.9Very high87 Ų8748.8 Ų48.847%0.46528%0.282SS..  trans-112.917.9-179.564.6-11.9000111.6
193K91.8Very high90.5Very high87 Ų8749.6 Ų49.638%0.37829%0.288SS..PPolyproline II helixtrans-88150.8-170.5-58.3-56.1175.3-130.90111.2Y195 I206K193-Y195 HydrophobicContact CB-CD2 4.32Å; K193-Y195 HydrophobicContact CB-CE1 4Å; K193-Y195 HydrophobicContact CB-CE2 3.61Å; K193-Y195 VanDerWaalsContact CB-CZ 3.44Å; K193-I206 HydrophobicContact CB-CG2 4.42Å; K193-I206 HydrophobicContact CD-CG2 4.41Å
194V93.4Very high90.3Very high0 Ų046.3 Ų46.30%027%0.27CS..EExtended strand (participates in β ladder)trans-103.4116.2168.7-177.90000107.5I177 F179 I207 V209 L261 W277I177-V194 HydrophobicContact CG2-CG1 3.68Å; F179-V194 HydrophobicContact CD2-CG2 3.83Å; V194-I207 HydrophobicContact CB-CB 4.26Å; V194-I207 HydrophobicContact CG1-CB 4.22Å; V194-I207 HydrophobicContact CG1-CD1 3.82Å; V194-I207 PolarHBondContact O-N 2.98Å; V194-V209 HydrophobicContact CB-CG1 4.11Å; V194-V209 HydrophobicContact CG2-CG1 3.7Å; V194-L261 HydrophobicContact CG1-CD2 4.14Å; V194-L261 HydrophobicContact CG2-CD2 4.34Å; V194-W277 HydrophobicContact CG2-CZ2 3.97Å
195Y91Very high90.1Very high12 Ų1245.5 Ų45.55%0.04726%0.262CS..EExtended strand (participates in β ladder)trans-101.7147.3177.9-55-83.9000110.2F157 I177 V178 D191 K193 N205 I206F157-Y195 HydrophobicContact CB-CD1 3.96Å; F157-Y195 HydrophobicContact CB-CE1 3.6Å; F157-Y195 AromaticContact CD1-CD1 3.63Å; F157-Y195 HydrophobicContact CD1-CD1 3.63Å; F157-Y195 HydrophobicContact CD1-CE1 4.08Å; F157-Y195 AromaticContact CD1-CG 3.96Å; F157-Y195 HydrophobicContact CD1-CG 3.96Å; F157-Y195 AromaticContact CD2-CD1 3.33Å; F157-Y195 HydrophobicContact CD2-CD1 3.33Å; F157-Y195 AromaticContact CD2-CD2 3.65Å; F157-Y195 HydrophobicContact CD2-CD2 3.65Å; F157-Y195 AromaticContact CD2-CE1 3.02Å; F157-Y195 HydrophobicContact CD2-CE1 3.02Å; F157-Y195 AromaticContact CD2-CE2 3.34Å; F157-Y195 HydrophobicContact CD2-CE2 3.34Å; F157-Y195 AromaticContact CD2-CG 3.62Å; F157-Y195 HydrophobicContact CD2-CG 3.62Å; F157-Y195 AromaticContact CD2-CZ 2.99Å; F157-Y195 WeakPolarHBondContact CD2-OH 3.49Å; F157-Y195 AromaticContact CE1-CD1 3.92Å; F157-Y195 HydrophobicContact CE1-CD1 3.92Å; F157-Y195 HydrophobicContact CE1-CD2 4.28Å; F157-Y195 AromaticContact CE1-CG 3.73Å; F157-Y195 HydrophobicContact CE1-CG 3.73Å; F157-Y195 AromaticContact CE2-CD1 3.6Å; F157-Y195 HydrophobicContact CE2-CD1 3.6Å; F157-Y195 AromaticContact CE2-CD2 3.09Å; F157-Y195 HydrophobicContact CE2-CD2 3.09Å; F157-Y195 AromaticContact CE2-CE1 3.63Å; F157-Y195 HydrophobicContact CE2-CE1 3.63Å; F157-Y195 AromaticContact CE2-CE2 3.09Å; F157-Y195 HydrophobicContact CE2-CE2 3.09Å; F157-Y195 AromaticContact CE2-CG 3.32Å; F157-Y195 HydrophobicContact CE2-CG 3.32Å; F157-Y195 AromaticContact CE2-CZ 3.36Å; F157-Y195 AromaticContact CG-CD1 3.3Å; F157-Y195 HydrophobicContact CG-CD1 3.3Å; F157-Y195 HydrophobicContact CG-CD2 4.4Å; F157-Y195 AromaticContact CG-CE1 3.25Å; F157-Y195 HydrophobicContact CG-CE1 3.25Å; F157-Y195 HydrophobicContact CG-CE2 4.33Å; F157-Y195 AromaticContact CG-CG 3.89Å; F157-Y195 HydrophobicContact CG-CG 3.89Å; F157-Y195 AromaticContact CG-CZ 3.78Å; F157-Y195 AromaticContact CZ-CD1 3.88Å; F157-Y195 HydrophobicContact CZ-CD1 3.88Å; F157-Y195 AromaticContact CZ-CD2 3.47Å; F157-Y195 HydrophobicContact CZ-CD2 3.47Å; F157-Y195 VanDerWaalsContact CZ-CD2 3.47Å; F157-Y195 HydrophobicContact CZ-CE1 4.37Å; F157-Y195 AromaticContact CZ-CE2 3.97Å; F157-Y195 HydrophobicContact CZ-CE2 3.97Å; F157-Y195 AromaticContact CZ-CG 3.38Å; F157-Y195 HydrophobicContact CZ-CG 3.38Å; I177-Y195 WeakPolarHBondContact CA-O 3.13Å; V178-Y195 HydrophobicContact CG1-CD2 4.45Å; V178-Y195 PolarHBondContact N-O 2.77Å; V178-Y195 PolarHBondContact O-N 2.63Å; D191-Y195 WeakPolarHBondContact OD1-CE2 3.1Å; K193-Y195 HydrophobicContact CB-CD2 4.32Å; K193-Y195 HydrophobicContact CB-CE1 4Å; K193-Y195 HydrophobicContact CB-CE2 3.61Å; K193-Y195 VanDerWaalsContact CB-CZ 3.44Å; Y195-N205 WeakPolarHBondContact CA-O 3.34Å; Y195-I206 HydrophobicContact CD1-CG1 3.76Å; Y195-I206 HydrophobicContact CE1-CD1 3.96Å; Y195-I206 HydrophobicContact CE1-CG1 3.7Å
196M90.7Very high90.1Very high7 Ų745.7 Ų45.73%0.03425%0.245CC..EExtended strand (participates in β ladder)trans-132.1121.1176.7-172.2177.471.500109.1Q175 L176 I177 W204 N205 I207 P239 F273Q175-M196 HydrophobicContact CB-CG 3.75Å; Q175-M196 HydrophobicContact CB-SD 3.91Å; Q175-M196 HydrophobicContact CG-CG 4.36Å; Q175-M196 HydrophobicContact CG-SD 4.12Å; L176-M196 CarbonylContact O-C 3.59Å; L176-M196 VanDerWaalsContact O-CA 3.3Å; L176-M196 WeakPolarHBondContact O-CA 3.41Å; I177-M196 HydrophobicContact CG1-CG 4.5Å; M196-W204 CarbonylContact O-C 3.53Å; M196-W204 WeakPolarHBondContact O-CA 3.5Å; M196-N205 PolarHBondContact N-O 2.9Å; M196-N205 PolarHBondContact O-N 2.95Å; M196-I207 HydrophobicContact CB-CD1 3.71Å; M196-I207 HydrophobicContact CB-CG1 4.01Å; M196-I207 HydrophobicContact CG-CD1 4.31Å; M196-I207 HydrophobicContact SD-CD1 4.04Å; M196-I207 HydrophobicContact SD-CG1 4.48Å; M196-P239 HydrophobicContact SD-CG 4.3Å; M196-F273 HydrophobicContact CE-CE1 4.17Å; M196-F273 HydrophobicContact CE-CZ 3.7Å; M196-F273 HydrophobicContact SD-CZ 3.98Å
197Y90.2Very high90.1Very high0 Ų044.3 Ų44.30%024%0.235CC..EExtended strand (participates in β ladder)trans-96.4126.3166.5174-105.3000109.7I105 L119 R121 D148 Q175 L176 N202 S203 W204I105-Y197 HydrophobicContact CD1-CD1 4.04Å; I105-Y197 HydrophobicContact CD1-CE1 3.79Å; L119-Y197 HydrophobicContact CD2-CD1 4.02Å; L119-Y197 HydrophobicContact CD2-CD2 3.8Å; L119-Y197 HydrophobicContact CD2-CE1 3.65Å; L119-Y197 HydrophobicContact CD2-CE2 3.4Å; L119-Y197 HydrophobicContact CD2-CG 4.07Å; R121-Y197 PolarHBondContact NH2-OH 2.83Å; D148-Y197 PolarHBondContact OD2-OH 2.77Å; D148-Y197 VanDerWaalsContact OD2-OH 3.1Å; Q175-Y197 CarbonylContact C-O 3.58Å; Q175-Y197 WeakPolarHBondContact CA-O 3.3Å; L176-Y197 HydrophobicContact CB-CD1 4.47Å; L176-Y197 PolarHBondContact N-O 3.46Å; L176-Y197 PolarHBondContact O-N 3.3Å; Y197-N202 VanDerWaalsContact CE2-OD1 3.24Å; Y197-N202 WeakPolarHBondContact CE2-OD1 3.4Å; Y197-N202 PolarHBondContact OH-OD1 2.69Å; Y197-S203 WeakPolarHBondContact CA-O 3.47Å; Y197-W204 AromaticContact CD2-CD1 3.7Å; Y197-W204 AromaticContact CD2-CD2 3.97Å; Y197-W204 HydrophobicContact CD2-CD2 3.97Å; Y197-W204 AromaticContact CD2-CE2 3.66Å; Y197-W204 HydrophobicContact CD2-CG 4.02Å; Y197-W204 HydrophobicContact CD2-CZ2 4.24Å; Y197-W204 AromaticContact CD2-NE1 3.45Å; Y197-W204 HydrophobicContact CG-CD2 4.26Å; Y197-W204 AromaticContact CG-CE2 3.94Å; Y197-W204 HydrophobicContact CG-CZ2 4.09Å
198D89.7Confident90Very high7 Ų741.5 Ų41.54%0.03723%0.226CC..EExtended strand (participates in β ladder)trans-98.6111.3176.1-163.8-36.3000109.7Q175 E200 I201 N202 S203 R237Q175-D198 HydrophobicContact CG-CB 4.23Å; Q175-D198 PolarHBondContact NE2-OD2 2.96Å; Q175-D198 VanDerWaalsContact NE2-OD2 3.15Å; D198-E200 PolarHBondContact OD1-N 2.76Å; D198-I201 HydrophobicContact CB-CD1 3.99Å; D198-I201 HydrophobicContact CB-CG1 3.6Å; D198-I201 VanDerWaalsContact CG-CG1 3.44Å; D198-N202 WeakPolarHBondContact O-CA 3.31Å; D198-N202 PolarHBondContact O-N 3.32Å; D198-S203 PolarHBondContact N-O 3.49Å; D198-S203 PolarHBondContact O-N 2.86Å; D198-S203 VanDerWaalsContact O-N 3.14Å; D198-R237 IonicContact OD1-CZ 2.72Å; D198-R237 IonicContact OD1-NH1 3.74Å; D198-R237 PolarHBondContact OD1-NH1 2.8Å; D198-R237 IonicContact OD1-NH2 3.25Å; D198-R237 IonicContact OD2-CZ 2.75Å; D198-R237 IonicContact OD2-NH1 2.71Å; D198-R237 PolarHBondContact OD2-NH1 2.92Å
199S89.7Confident89.9Confident8 Ų842.6 Ų42.66%0.05623%0.232CC..THydrogen-bonded Turntrans-74.3-25.4-172.863.30000114.4R121 N174R121-S199 PolarHBondContact NH2-O 2.83Å; N174-S199 WeakPolarHBondContact CB-OG 3.37Å; N174-S199 WeakPolarHBondContact O-CB 3.18Å; N174-S199 PolarHBondContact O-N 2.9Å; N174-S199 PolarHBondContact O-OG 2.9Å
200E88Confident90.1Very high119 Ų11947.1 Ų47.156%0.55625%0.253SS*.THydrogen-bonded Turntrans-78.5-38.7-178.7-63.3-61.6156.800111.5N174 D198N174-E200 PolarHBondContact ND2-OE1 3.29Å; D198-E200 PolarHBondContact OD1-N 2.76Å
201I86.6Confident90.3Very high106 Ų10644 Ų4454%0.54424%0.24SC..THydrogen-bonded Turntrans-99.50.9177.563.8173.7000113D198 S203D198-I201 HydrophobicContact CB-CD1 3.99Å; D198-I201 HydrophobicContact CB-CG1 3.6Å; D198-I201 VanDerWaalsContact CG-CG1 3.44Å; I201-S203 WeakPolarHBondContact CD1-OG 3.44Å; I201-S203 WeakPolarHBondContact CG1-OG 3.38Å; I201-S203 PolarHBondContact O-N 3.14Å
202N86.6Confident90.6Very high48 Ų4846.9 Ų46.926%0.25726%0.255SS..THydrogen-bonded Turntrans47.857.1-178.7-171.915000113.4D148 Y197 D198D148-N202 PolarHBondContact OD1-ND2 2.65Å; D148-N202 PolarHBondContact OD2-ND2 3.1Å; D148-N202 PolarHBondContact OD2-OD1 3.46Å; Y197-N202 VanDerWaalsContact CE2-OD1 3.24Å; Y197-N202 WeakPolarHBondContact CE2-OD1 3.4Å; Y197-N202 PolarHBondContact OH-OD1 2.69Å; D198-N202 WeakPolarHBondContact O-CA 3.31Å; D198-N202 PolarHBondContact O-N 3.32Å
203S86.2Confident91Very high18 Ų1845.6 Ų45.613%0.12625%0.251CS..EExtended strand (participates in β ladder)trans-140.5142.2-178.176.80000112.7Y197 D198 I201 N205Y197-S203 WeakPolarHBondContact CA-O 3.47Å; D198-S203 PolarHBondContact N-O 3.49Å; D198-S203 PolarHBondContact O-N 2.86Å; D198-S203 VanDerWaalsContact O-N 3.14Å; I201-S203 WeakPolarHBondContact CD1-OG 3.44Å; I201-S203 WeakPolarHBondContact CG1-OG 3.38Å; I201-S203 PolarHBondContact O-N 3.14Å; S203-N205 PolarHBondContact OG-ND2 2.89Å
204W87.4Confident91.2Very high6 Ų641.7 Ų41.72%0.02324%0.235CC..EExtended strand (participates in β ladder)trans-89.6147.3168.6-74.693.9000110.3F107 L119 I154 F157 L176 V178 M196 Y197F107-W204 HydrophobicContact CD2-CH2 4.11Å; F107-W204 AromaticContact CD2-CZ2 3.85Å; F107-W204 HydrophobicContact CD2-CZ2 3.85Å; F107-W204 HydrophobicContact CE2-CH2 4.14Å; F107-W204 AromaticContact CE2-CZ2 3.91Å; F107-W204 HydrophobicContact CE2-CZ2 3.91Å; F107-W204 HydrophobicContact CG-CH2 4.31Å; F107-W204 HydrophobicContact CG-CZ2 4.44Å; F107-W204 HydrophobicContact CZ-CH2 4.37Å; L119-W204 HydrophobicContact CD1-CZ2 4.25Å; L119-W204 HydrophobicContact CD2-CZ2 4.5Å; I154-W204 HydrophobicContact CD1-CB 4.23Å; I154-W204 WeakPolarHBondContact CD1-O 3.49Å; F157-W204 HydrophobicContact CD1-CD2 4.07Å; F157-W204 AromaticContact CD1-CE3 3.94Å; F157-W204 HydrophobicContact CD1-CE3 3.94Å; F157-W204 HydrophobicContact CD1-CG 4.42Å; F157-W204 HydrophobicContact CD1-CZ3 4.43Å; F157-W204 AromaticContact CE1-CD2 3.83Å; F157-W204 HydrophobicContact CE1-CD2 3.83Å; F157-W204 AromaticContact CE1-CE3 3.45Å; F157-W204 HydrophobicContact CE1-CE3 3.45Å; F157-W204 VanDerWaalsContact CE1-CE3 3.45Å; F157-W204 AromaticContact CE1-CH2 3.91Å; F157-W204 HydrophobicContact CE1-CH2 3.91Å; F157-W204 HydrophobicContact CE1-CZ2 4.26Å; F157-W204 AromaticContact CE1-CZ3 3.5Å; F157-W204 HydrophobicContact CE1-CZ3 3.5Å; F157-W204 HydrophobicContact CZ-CE3 4.48Å; F157-W204 HydrophobicContact CZ-CZ3 4.18Å; L176-W204 HydrophobicContact CD2-CH2 4.01Å; V178-W204 HydrophobicContact CB-CZ3 4.5Å; V178-W204 HydrophobicContact CG2-CH2 3.92Å; V178-W204 HydrophobicContact CG2-CZ3 4.02Å; M196-W204 CarbonylContact O-C 3.53Å; M196-W204 WeakPolarHBondContact O-CA 3.5Å; Y197-W204 AromaticContact CD2-CD1 3.7Å; Y197-W204 AromaticContact CD2-CD2 3.97Å; Y197-W204 HydrophobicContact CD2-CD2 3.97Å; Y197-W204 AromaticContact CD2-CE2 3.66Å; Y197-W204 HydrophobicContact CD2-CG 4.02Å; Y197-W204 HydrophobicContact CD2-CZ2 4.24Å; Y197-W204 AromaticContact CD2-NE1 3.45Å; Y197-W204 HydrophobicContact CG-CD2 4.26Å; Y197-W204 AromaticContact CG-CE2 3.94Å; Y197-W204 HydrophobicContact CG-CZ2 4.09Å
205N86.5Confident91.3Very high73 Ų7344.7 Ų44.739%0.3926%0.255SS..EExtended strand (participates in β ladder)trans-141.8154.6171-70.7-75000110.4Y195 M196 S203Y195-N205 WeakPolarHBondContact CA-O 3.34Å; M196-N205 PolarHBondContact N-O 2.9Å; M196-N205 PolarHBondContact O-N 2.95Å; S203-N205 PolarHBondContact OG-ND2 2.89Å
206I89.7Confident91.5Very high75 Ų7545.3 Ų45.339%0.38526%0.261SS..EExtended strand (participates in β ladder)trans-96.2124.1169.1-59.8176.6000107.3K193 Y195 P208K193-I206 HydrophobicContact CB-CG2 4.42Å; K193-I206 HydrophobicContact CD-CG2 4.41Å; Y195-I206 HydrophobicContact CD1-CG1 3.76Å; Y195-I206 HydrophobicContact CE1-CD1 3.96Å; Y195-I206 HydrophobicContact CE1-CG1 3.7Å; I206-P208 WeakPolarHBondContact O-CD 3.39Å
207I91.4Very high91.8Very high5 Ų545 Ų453%0.02626%0.259CS..EExtended strand (participates in β ladder)trans-79.1119.5172.9-63.9162.7000107.5V194 M196 V209 F263 F273V194-I207 HydrophobicContact CB-CB 4.26Å; V194-I207 HydrophobicContact CG1-CB 4.22Å; V194-I207 HydrophobicContact CG1-CD1 3.82Å; V194-I207 PolarHBondContact O-N 2.98Å; M196-I207 HydrophobicContact CB-CD1 3.71Å; M196-I207 HydrophobicContact CB-CG1 4.01Å; M196-I207 HydrophobicContact CG-CD1 4.31Å; M196-I207 HydrophobicContact SD-CD1 4.04Å; M196-I207 HydrophobicContact SD-CG1 4.48Å; I207-V209 HydrophobicContact CG2-CG1 4.29Å; I207-V209 PolarHBondContact O-N 2.81Å; I207-F263 HydrophobicContact CD1-CE1 4.04Å; I207-F273 HydrophobicContact CD1-CE2 4.32Å; I207-F273 HydrophobicContact CG1-CE2 4.04Å; I207-F273 HydrophobicContact CG1-CZ 4.2Å; I207-F273 HydrophobicContact CG2-CE2 4.12Å
208P92.9Very high92Very high42 Ų4245.8 Ų45.827%0.27326%0.263SS..PPolyproline II helixtrans-60.5133169.6-16.829.8000109.3I206 L271 K274 G275I206-P208 WeakPolarHBondContact O-CD 3.39Å; P208-L271 HydrophobicContact CG-CD1 3.78Å; P208-L271 HydrophobicContact CG-CD2 4Å; P208-L271 HydrophobicContact CG-CG 4.33Å; P208-K274 HydrophobicContact CB-CB 4.21Å; P208-K274 CarbonylContact O-C 3.56Å; P208-K274 WeakPolarHBondContact O-CA 3.4Å; P208-K274 WeakPolarHBondContact O-CB 3.42Å; P208-G275 PolarHBondContact O-N 3.37Å
209V94.6Very high92.3Very high46 Ų4646.1 Ų46.128%0.27927%0.269SS..EExtended strand (participates in β ladder)trans-125.6144.9-179.2-66.10000112.4V194 I207 L261 G275V194-V209 HydrophobicContact CB-CG1 4.11Å; V194-V209 HydrophobicContact CG2-CG1 3.7Å; I207-V209 HydrophobicContact CG2-CG1 4.29Å; I207-V209 PolarHBondContact O-N 2.81Å; V209-L261 HydrophobicContact CG1-CD1 4.21Å; V209-G275 VanDerWaalsContact CA-O 3.27Å; V209-G275 WeakPolarHBondContact CA-O 3.42Å
210E95.2Very high92.7Very high103 Ų10345.7 Ų45.748%0.48127%0.266SS..EExtended strand (participates in β ladder)trans-133.4-178.1173.6-66.3174.7-165.400110.2K274 G275 I276 W277E210-K274 HydrophobicContact CG-CD 4.44Å; E210-K274 IonicContact OE1-NZ 2.98Å; E210-K274 PolarHBondContact OE1-NZ 3.42Å; E210-K274 IonicContact OE2-NZ 3.93Å; E210-K274 PolarHBondContact OE2-NZ 3.02Å; E210-G275 PolarHBondContact N-O 2.82Å; E210-I276 HydrophobicContact CB-CD1 3.84Å; E210-W277 PolarHBondContact O-N 2.86Å
211G96.1Very high93.1Very high56 Ų5640.1 Ų40.158%0.57724%0.24SC*.EExtended strand (participates in β ladder)trans88.7-146.7178.600000112.2P213G211-P213 WeakPolarHBondContact O-CD 3.41Å
212L96.4Very high93.6Very high80 Ų8035.2 Ų35.242%0.41922%0.215SC..SBendtrans-106.590.4-179.9-177.263.9000109.8Y259 W277 K279L212-Y259 HydrophobicContact CG-CE1 4.44Å; L212-Y259 WeakPolarHBondContact O-CD1 3.26Å; L212-Y259 VanDerWaalsContact O-CE1 3.26Å; L212-Y259 WeakPolarHBondContact O-CE1 3.37Å; L212-W277 PolarHBondContact N-O 3.46Å; L212-W277 VanDerWaalsContact O-CB 3.31Å; L212-W277 WeakPolarHBondContact O-CB 3.08Å; L212-K279 HydrophobicContact CD2-CB 3.93Å; L212-K279 HydrophobicContact CD2-CD 4.44Å
213P96.4Very high94Very high59 Ų5933.8 Ų33.838%0.38321%0.207SC..PPolyproline II helixtrans-71.4154.1-178.430.1-35.6000112.2G211 W277G211-P213 WeakPolarHBondContact O-CD 3.41Å; P213-W277 HydrophobicContact CB-CB 4.43Å; P213-W277 HydrophobicContact CB-CG 4.07Å
214P96.8Very high94.3Very high6 Ų633.5 Ų33.54%0.03920%0.203CC..PPolyproline II helixtrans-64.4149.2163.717.7-17.8000110.7F179 I245 Y259 W277F179-P214 HydrophobicContact CE1-CB 4.17Å; F179-P214 HydrophobicContact CE1-CG 3.64Å; F179-P214 HydrophobicContact CZ-CB 4.21Å; F179-P214 HydrophobicContact CZ-CG 3.63Å; P214-I245 HydrophobicContact CG-CD1 4.13Å; P214-Y259 HydrophobicContact CB-CD1 4.17Å; P214-Y259 HydrophobicContact CB-CD2 3.71Å; P214-Y259 HydrophobicContact CB-CE1 4.22Å; P214-Y259 HydrophobicContact CB-CE2 3.77Å; P214-Y259 HydrophobicContact CB-CG 3.91Å; P214-Y259 HydrophobicContact CG-CD1 4.16Å; P214-Y259 HydrophobicContact CG-CD2 4.21Å; P214-Y259 HydrophobicContact CG-CG 3.94Å; P214-W277 HydrophobicContact CG-CD2 4.44Å; P214-W277 HydrophobicContact CG-CE3 4.29Å; P214-W277 HydrophobicContact CG-CH2 4.21Å; P214-W277 HydrophobicContact CG-CZ2 4.33Å; P214-W277 HydrophobicContact CG-CZ3 4.16Å
215C95.7Very high94.5Very high62 Ų6233.3 Ų33.342%0.41920%0.202SC..PPolyproline II helixtrans-63156.2165.561.90000111.4R217C215-R217 PolarHBondContact O-N 2.97Å; C215-R217 PolarHBondContact O-NE 2.95Å; C215-R217 PolarHBondContact SG-NH2 2.82Å
216S95.1Very high94.6Very high25 Ų2532 Ų3218%0.17519%0.193CC..PPolyproline II helixtrans-58.8135.8169.7-54.70000110.8S180 V189 D191S180-S216 VanDerWaalsContact OG-CA 3.24Å; S180-S216 WeakPolarHBondContact OG-CA 3.33Å; S180-S216 WeakPolarHBondContact OG-CB 3.4Å; V189-S216 WeakPolarHBondContact O-CB 3.3Å; D191-S216 PolarHBondContact O-OG 3.15Å
217R96.2Very high94.3Very high0 Ų029.4 Ų29.40%018%0.181CC..  trans-160.6158.3-167.360.7-17671.4-163.6-3.1111.4S180 G181 C215 H220 G247 M249 L255 D257S180-R217 WeakPolarHBondContact CB-O 3.49Å; S180-R217 PolarHBondContact OG-N 3.38Å; S180-R217 PolarHBondContact OG-O 2.89Å; G181-R217 PolarHBondContact N-O 2.79Å; G181-R217 VanDerWaalsContact N-O 3.14Å; C215-R217 PolarHBondContact O-N 2.97Å; C215-R217 PolarHBondContact O-NE 2.95Å; C215-R217 PolarHBondContact SG-NH2 2.82Å; R217-H220 HydrophobicContact CG-CB 4.06Å; R217-H220 PolarHBondContact O-CE1 2.82Å; R217-H220 PolarHBondContact O-ND1 3.42Å; R217-G247 WeakPolarHBondContact CD-O 3.07Å; R217-G247 PolarHBondContact NH1-O 2.89Å; R217-M249 CarbonylContact C-O 3.55Å; R217-M249 VanDerWaalsContact CA-O 3.24Å; R217-M249 WeakPolarHBondContact CA-O 3.44Å; R217-M249 WeakPolarHBondContact CB-O 3.36Å; R217-L255 HydrophobicContact CB-CD1 4.31Å; R217-L255 VanDerWaalsContact CZ-CD1 3.46Å; R217-D257 IonicContact CZ-OD1 2.67Å; R217-D257 IonicContact CZ-OD2 3.58Å; R217-D257 IonicContact NH1-OD1 3.82Å; R217-D257 PolarHBondContact NH1-OD1 2.86Å; R217-D257 IonicContact NH1-OD2 3.67Å; R217-D257 IonicContact NH2-OD1 3.61Å; R217-D257 IonicContact NH2-OD2 3.83Å; R217-D257 PolarHBondContact NH2-OD2 2.81Å; R217-D257 VanDerWaalsContact NH2-OD2 3.12Å
218L95.7Very high93.3Very high17 Ų1733 Ų339%0.08920%0.195CC..BIsolated β-bridgetrans-123163.9173.768.6153.8000111.1S186 P188 H220 G248 M249S186-L218 VanDerWaalsContact O-CD2 3.24Å; S186-L218 WeakPolarHBondContact O-CD2 3.37Å; P188-L218 HydrophobicContact CB-CD2 4.18Å; L218-H220 PolarHBondContact O-N 3.43Å; L218-H220 VanDerWaalsContact O-N 3.12Å; L218-G248 CarbonylContact O-C 3.49Å; L218-G248 VanDerWaalsContact O-CA 3.24Å; L218-G248 WeakPolarHBondContact O-CA 3.19Å; L218-M249 HydrophobicContact CD2-CG 3.9Å; L218-M249 WeakPolarHBondContact CD2-O 3.36Å; L218-M249 HydrophobicContact CG-CG 3.83Å; L218-M249 PolarHBondContact N-O 3.43Å; L218-M249 PolarHBondContact O-N 2.9Å
219G96.1Very high92.3Very high14 Ų1437.6 Ų37.614%0.14421%0.213CC..SBendtrans60.720.7-178.900000114.3A320 A321G219-A320 CarbonylContact O-C 3.43Å; G219-A320 VanDerWaalsContact O-CA 3.32Å; G219-A320 WeakPolarHBondContact O-CA 3.07Å; G219-A321 PolarHBondContact O-N 3.02Å
220H96.7Very high90.9Very high0 Ų037.8 Ų37.80%021%0.212CC..  trans-84.1151.9175.362.2-80.5000109.9S166 S167 F179 R217 L218 I245 G247S166-H220 CarbonylContact C-O 3.52Å; S167-H220 VanDerWaalsContact CB-CE1 3.47Å; S167-H220 WeakPolarHBondContact CB-CE1 3.49Å; S167-H220 WeakPolarHBondContact CB-NE2 3.37Å; F179-H220 AromaticContact CD1-NE2 3.93Å; F179-H220 PolarHBondContact O-CE1 3.37Å; F179-H220 PolarHBondContact O-NE2 3.06Å; R217-H220 HydrophobicContact CG-CB 4.06Å; R217-H220 PolarHBondContact O-CE1 2.82Å; R217-H220 PolarHBondContact O-ND1 3.42Å; L218-H220 PolarHBondContact O-N 3.43Å; L218-H220 VanDerWaalsContact O-N 3.12Å; H220-I245 HydrophobicContact CB-CG2 4.17Å; H220-G247 WeakPolarHBondContact CB-O 3.24Å
221L97Very high89.3Confident1 Ų136 Ų361%0.00521%0.209CC..EExtended strand (participates in β ladder)trans-91.9128.7176.8176.665.7000109.6L223 I245 H246 H322 I341 Y383L221-L223 HydrophobicContact CD1-CD2 4.07Å; L221-L223 HydrophobicContact CD1-CG 4.27Å; L221-L223 HydrophobicContact CD2-CD1 3.89Å; L221-L223 HydrophobicContact CD2-CG 4.17Å; L221-L223 HydrophobicContact CG-CD1 4.24Å; L221-L223 HydrophobicContact CG-CD2 4.31Å; L221-L223 HydrophobicContact CG-CG 3.97Å; L221-I245 CarbonylContact O-C 3.53Å; L221-I245 VanDerWaalsContact O-CA 3.27Å; L221-I245 WeakPolarHBondContact O-CA 3.4Å; L221-H246 PolarHBondContact N-O 3.37Å; L221-H246 PolarHBondContact O-N 2.77Å; L221-H322 VanDerWaalsContact CB-NE2 3.33Å; L221-H322 WeakPolarHBondContact CB-NE2 3.36Å; L221-I341 HydrophobicContact CD2-CG2 3.71Å; L221-Y383 WeakPolarHBondContact CD1-OH 3.32Å
222M96.6Very high87.6Confident4 Ų438.8 Ų38.82%0.0221%0.21CC..EExtended strand (participates in β ladder)trans-111.4128.5171.8-69.7-177.559.800110.6S166 S169 I177 F179 L243 Y244 I245S166-M222 PolarHBondContact O-N 3.2Å; S169-M222 PolarHBondContact OG-O 2.76Å; I177-M222 HydrophobicContact CG2-CE 4.22Å; F179-M222 HydrophobicContact CB-CE 4.11Å; F179-M222 HydrophobicContact CB-SD 4.12Å; M222-L243 HydrophobicContact CB-CD1 4.31Å; M222-L243 HydrophobicContact CE-CD1 3.66Å; M222-L243 HydrophobicContact CE-CD2 3.73Å; M222-L243 HydrophobicContact CE-CG 4.2Å; M222-Y244 WeakPolarHBondContact CA-O 3.36Å; M222-I245 HydrophobicContact CG-CD1 4.33Å; M222-I245 HydrophobicContact CG-CG1 4.1Å
223L95.1Very high86.1Confident18 Ų1839.1 Ų39.19%0.09422%0.219CC..EExtended strand (participates in β ladder)trans-132.2136.3179.9-62.9173.3000111.1S169 L221 L243 Y244 I326 I339S169-L223 WeakPolarHBondContact OG-CA 3.34Å; S169-L223 PolarHBondContact OG-N 2.88Å; L221-L223 HydrophobicContact CD1-CD2 4.07Å; L221-L223 HydrophobicContact CD1-CG 4.27Å; L221-L223 HydrophobicContact CD2-CD1 3.89Å; L221-L223 HydrophobicContact CD2-CG 4.17Å; L221-L223 HydrophobicContact CG-CD1 4.24Å; L221-L223 HydrophobicContact CG-CD2 4.31Å; L221-L223 HydrophobicContact CG-CG 3.97Å; L223-L243 CarbonylContact O-C 3.51Å; L223-L243 WeakPolarHBondContact O-CA 2.97Å; L223-Y244 PolarHBondContact N-O 2.78Å; L223-Y244 PolarHBondContact O-N 2.99Å; L223-I326 HydrophobicContact CB-CB 4.33Å; L223-I326 HydrophobicContact CB-CG2 4.28Å; L223-I326 HydrophobicContact CD1-CB 4.31Å; L223-I339 HydrophobicContact CD1-CB 4.43Å; L223-I339 HydrophobicContact CD1-CG1 4.28Å; L223-I339 HydrophobicContact CD1-CG2 3.61Å
224Y93.6Very high84.8Confident11 Ų1137.5 Ų37.54%0.04321%0.207CC..EExtended strand (participates in β ladder)trans-104.2120.5176.7-161.4-101.4000111.9S169 L170 T171 E172 I177 F226 P239 G241 L243 F263 I326S169-Y224 PolarHBondContact OG-N 3.06Å; L170-Y224 WeakPolarHBondContact O-CB 3.31Å; L170-Y224 VanDerWaalsContact O-CD1 3.3Å; L170-Y224 WeakPolarHBondContact O-CD1 3.33Å; T171-Y224 HydrophobicContact CG2-CE2 3.89Å; E172-Y224 WeakPolarHBondContact OE2-CE1 3.38Å; E172-Y224 PolarHBondContact OE2-OH 2.87Å; I177-Y224 HydrophobicContact CD1-CE2 4.41Å; Y224-F226 AromaticContact CD1-CD2 4Å; Y224-F226 HydrophobicContact CD1-CD2 4Å; Y224-F226 HydrophobicContact CD1-CE2 4.08Å; Y224-F226 HydrophobicContact CD1-CG 4.22Å; Y224-F226 HydrophobicContact CD1-CZ 4.39Å; Y224-F226 HydrophobicContact CE1-CG 4.48Å; Y224-P239 WeakPolarHBondContact OH-CB 3.16Å; Y224-G241 WeakPolarHBondContact OH-CA 3.2Å; Y224-G241 PolarHBondContact OH-N 2.89Å; Y224-L243 HydrophobicContact CD2-CB 4.25Å; Y224-F263 AromaticContact CE2-CE2 3.88Å; Y224-F263 HydrophobicContact CE2-CE2 3.88Å; Y224-F263 HydrophobicContact CE2-CZ 4.47Å; Y224-I326 WeakPolarHBondContact O-CG2 3.36Å
225E91.8Very high83.7Confident2 Ų247.5 Ų47.51%0.00925%0.246CC..EExtended strand (participates in β ladder)trans-87.6111.6169.6-167.1-151.8145.200109.6G241 K242 Y244 I326 T328 K330 S337E225-G241 CarbonylContact O-C 3.57Å; E225-G241 WeakPolarHBondContact O-CA 3.3Å; E225-K242 HydrophobicContact CB-CB 4.27Å; E225-K242 PolarHBondContact N-O 2.62Å; E225-K242 PolarHBondContact O-N 3.05Å; E225-K242 IonicContact OE1-NZ 2.75Å; E225-K242 IonicContact OE2-NZ 3.31Å; E225-K242 PolarHBondContact OE2-NZ 3.12Å; E225-Y244 HydrophobicContact CB-CD2 4.3Å; E225-Y244 HydrophobicContact CB-CE2 3.85Å; E225-Y244 WeakPolarHBondContact OE2-CE2 3.27Å; E225-Y244 PolarHBondContact OE2-OH 2.57Å; E225-I326 HydrophobicContact CB-CD1 3.64Å; E225-I326 HydrophobicContact CG-CD1 3.88Å; E225-T328 HydrophobicContact CG-CG2 4.4Å; E225-K330 WeakPolarHBondContact OE1-CE 3.4Å; E225-K330 IonicContact OE1-NZ 2.72Å; E225-K330 PolarHBondContact OE1-NZ 2.99Å; E225-S337 PolarHBondContact OE1-OG 3.17Å
226F86.8Confident82.9Confident45 Ų4549.5 Ų49.520%0.19725%0.249CC..  trans-66147.2178.5-74.4-104.8000112E172 Y224 K330E172-F226 HydrophobicContact CB-CD1 3.78Å; E172-F226 HydrophobicContact CB-CE1 4.03Å; Y224-F226 AromaticContact CD1-CD2 4Å; Y224-F226 HydrophobicContact CD1-CD2 4Å; Y224-F226 HydrophobicContact CD1-CE2 4.08Å; Y224-F226 HydrophobicContact CD1-CG 4.22Å; Y224-F226 HydrophobicContact CD1-CZ 4.39Å; Y224-F226 HydrophobicContact CE1-CG 4.48Å; F226-K330 PolarHBondContact O-NZ 2.83Å
227P83.1Confident82.5Confident21 Ų2150.5 Ų50.514%0.13625%0.249CC..  trans-64153.3173.529.9-35.8000111.2E172 L230 K240E172-P227 HydrophobicContact CB-CG 4.46Å; E172-P227 HydrophobicContact CG-CG 4.1Å; P227-L230 HydrophobicContact CG-CD2 4.07Å; P227-K240 HydrophobicContact CB-CB 3.89Å; P227-K240 HydrophobicContact CG-CB 4.14Å
228Y72.3Confident82.1Confident82 Ų8250.5 Ų50.532%0.32225%0.249SC..SBendtrans-66.1-43.7179.1-179.3-117.9000112.5K330 L469Y228-K330 HydrophobicContact CD2-CB 3.52Å; Y228-K330 HydrophobicContact CD2-CD 3.96Å; Y228-K330 HydrophobicContact CD2-CG 4.35Å; Y228-K330 HydrophobicContact CE2-CB 3.98Å; Y228-K330 HydrophobicContact CG-CB 4.43Å; Y228-K330 HydrophobicContact CG-CD 4.23Å; Y228-L469 HydrophobicContact CE2-CD1 4.3Å; Y228-L469 WeakPolarHBondContact O-CD1 2.95Å
229Q70.2Confident81.9Confident137 Ų13749.7 Ų49.764%0.6425%0.245SC*.SBendtrans-110.3118.3177.4-74.5174.84.600108.8T231Q229-T231 PolarHBondContact O-N 2.77Å
230L66.2Low81.6Confident50 Ų5053.1 Ų53.126%0.26226%0.256SS..  trans-77.2103.2164.9-63.4169.8000107.2E172 P227 N232E172-L230 HydrophobicContact CB-CD2 3.5Å; E172-L230 VanDerWaalsContact CB-CD2 3.5Å; E172-L230 HydrophobicContact CG-CD2 3.82Å; P227-L230 HydrophobicContact CG-CD2 4.07Å; L230-N232 PolarHBondContact O-N 3.27Å
231T62.4Low81.3Confident67 Ų6753.3 Ų53.341%0.41126%0.258SS..  trans-73.6118.5173.855.40000109.3Q229 S233Q229-T231 PolarHBondContact O-N 2.77Å; T231-S233 PolarHBondContact O-N 2.84Å; T231-S233 VanDerWaalsContact O-N 3.12Å
232N58.7Low81.1Confident113 Ų11355.2 Ų55.260%0.60427%0.266SS*.THydrogen-bonded Turntrans-61.1-20.5178-82.2-30.2000113.3L230L230-N232 PolarHBondContact O-N 3.27Å
233S65.1Low81.1Confident88 Ų8855 Ų5562%0.61527%0.265SS*.THydrogen-bonded Turntrans-105.729.7-170.668.40000115T231 Y235T231-S233 PolarHBondContact O-N 2.84Å; T231-S233 VanDerWaalsContact O-N 3.12Å; S233-Y235 PolarHBondContact O-N 2.89Å
234N70.1Confident81.2Confident24 Ų2454.8 Ų54.813%0.12826%0.263CS..  trans-90.674.1174.6-169.24.6000111.2Y173 E236 R237 I238Y173-N234 HydrophobicContact CE1-CB 4.29Å; Y173-N234 WeakPolarHBondContact OH-CB 3.42Å; Y173-N234 PolarHBondContact OH-ND2 2.92Å; N234-E236 PolarHBondContact O-N 2.81Å; N234-R237 PolarHBondContact O-N 2.81Å; N234-R237 PolarHBondContact OD1-N 2.81Å; N234-I238 PolarHBondContact ND2-N 2.94Å; N234-I238 PolarHBondContact ND2-O 3.27Å
235Y73Confident81.3Confident217 Ų21754.2 Ų54.285%0.85126%0.261SS*.THydrogen-bonded Turntrans-59-26.5178.5-68.7-79.4000113.3S233 R237S233-Y235 PolarHBondContact O-N 2.89Å; Y235-R237 PolarHBondContact O-N 2.96Å
236E79.1Confident81.6Confident104 Ų10454.4 Ų54.449%0.48626%0.262SS..THydrogen-bonded Turntrans-78.8-10.1177.6-58.9-174.8137.900112.6N234 I238 H272N234-E236 PolarHBondContact O-N 2.81Å; E236-I238 HydrophobicContact CB-CD1 3.91Å; E236-I238 HydrophobicContact CB-CG1 3.79Å; E236-I238 PolarHBondContact O-N 2.89Å; E236-I238 VanDerWaalsContact O-N 3.1Å; E236-I238 VanDerWaalsContact OE2-CD1 3.23Å; E236-I238 WeakPolarHBondContact OE2-CD1 3.28Å; E236-H272 IonicContact OE1-CE1 3.7Å; E236-H272 IonicContact OE1-ND1 3.43Å; E236-H272 PolarHBondContact OE1-ND1 3.25Å
237R86.9Confident82.1Confident45 Ų4552.3 Ų52.317%0.1725%0.252CS..  trans51.736.2177.4-50.7178.683.6-1026.2112.5Y173 Q175 D198 N234 Y235 P239Y173-R237 HydrophobicContact CD1-CB 4.49Å; Y173-R237 HydrophobicContact CD2-CB 4.36Å; Y173-R237 HydrophobicContact CG-CB 4.16Å; Y173-R237 PolarHBondContact O-NH1 2.71Å; Y173-R237 PolarHBondContact O-NH2 3.47Å; Q175-R237 PolarHBondContact NE2-O 3.08Å; Q175-R237 PolarHBondContact OE1-O 2.92Å; D198-R237 IonicContact OD1-CZ 2.72Å; D198-R237 IonicContact OD1-NH1 3.74Å; D198-R237 PolarHBondContact OD1-NH1 2.8Å; D198-R237 IonicContact OD1-NH2 3.25Å; D198-R237 IonicContact OD2-CZ 2.75Å; D198-R237 IonicContact OD2-NH1 2.71Å; D198-R237 PolarHBondContact OD2-NH1 2.92Å; N234-R237 PolarHBondContact O-N 2.81Å; N234-R237 PolarHBondContact OD1-N 2.81Å; Y235-R237 PolarHBondContact O-N 2.96Å; R237-P239 WeakPolarHBondContact O-CD 3.45Å
238I88.5Confident82.8Confident1 Ų151.3 Ų51.31%0.00525%0.246CC..  trans-74.5118.9176.2-60.1172.9000108.1Y173 N234 E236 N265 H272 F273Y173-I238 WeakPolarHBondContact CE2-O 3.31Å; N234-I238 PolarHBondContact ND2-N 2.94Å; N234-I238 PolarHBondContact ND2-O 3.27Å; E236-I238 HydrophobicContact CB-CD1 3.91Å; E236-I238 HydrophobicContact CB-CG1 3.79Å; E236-I238 PolarHBondContact O-N 2.89Å; E236-I238 VanDerWaalsContact O-N 3.1Å; E236-I238 VanDerWaalsContact OE2-CD1 3.23Å; E236-I238 WeakPolarHBondContact OE2-CD1 3.28Å; I238-N265 WeakPolarHBondContact CD1-OD1 3.36Å; I238-H272 HydrophobicContact CD1-CB 4.23Å; I238-H272 WeakPolarHBondContact CD1-O 3.04Å; I238-H272 HydrophobicContact CG1-CB 4.41Å; I238-F273 HydrophobicContact CB-CB 4.47Å; I238-F273 HydrophobicContact CB-CD1 4.26Å; I238-F273 HydrophobicContact CB-CG 4.4Å; I238-F273 HydrophobicContact CD1-CB 4.15Å; I238-F273 HydrophobicContact CG1-CB 4.13Å; I238-F273 HydrophobicContact CG1-CD1 3.76Å; I238-F273 HydrophobicContact CG1-CG 4.18Å; I238-F273 HydrophobicContact CG2-CB 3.58Å; I238-F273 HydrophobicContact CG2-CD1 4.04Å; I238-F273 HydrophobicContact CG2-CD2 4.15Å; I238-F273 HydrophobicContact CG2-CG 3.68Å
239P91.4Very high83.9Confident0 Ų048.7 Ų48.70%024%0.237CC..  trans-56140.6176.9-20.230000111.4T171 M196 Y224 R237 F263 F273T171-P239 HydrophobicContact CG2-CB 3.98Å; T171-P239 HydrophobicContact CG2-CG 3.87Å; M196-P239 HydrophobicContact SD-CG 4.3Å; Y224-P239 WeakPolarHBondContact OH-CB 3.16Å; R237-P239 WeakPolarHBondContact O-CD 3.45Å; P239-F263 HydrophobicContact CB-CB 4.48Å; P239-F263 HydrophobicContact CB-CD1 4.28Å; P239-F263 HydrophobicContact CB-CD2 3.73Å; P239-F263 HydrophobicContact CB-CE2 4.02Å; P239-F263 HydrophobicContact CB-CG 3.88Å; P239-F263 HydrophobicContact CB-CZ 4.41Å; P239-F263 HydrophobicContact CG-CD1 4.3Å; P239-F263 HydrophobicContact CG-CE1 4.44Å; P239-F263 HydrophobicContact CG-CG 4.37Å; P239-F263 WeakPolarHBondContact O-CB 3.5Å; P239-F273 HydrophobicContact CG-CE2 4.36Å; P239-F273 HydrophobicContact CG-CZ 4.37Å
240K89.2Confident85.2Confident86 Ų8643.7 Ų43.737%0.37422%0.216SC..  trans-117.5-10.1178.3-59.3-58.7176-166.40113.1E172 P227 N265E172-K240 PolarHBondContact OE1-N 3.36Å; P227-K240 HydrophobicContact CB-CB 3.89Å; P227-K240 HydrophobicContact CG-CB 4.14Å; K240-N265 PolarHBondContact NZ-OD1 3.12Å
241G90.6Very high86.6Confident4 Ų444.9 Ų44.94%0.04122%0.222CC..SBendtrans-72.5-169.9171.300000113.3Y224 E225 F263Y224-G241 WeakPolarHBondContact OH-CA 3.2Å; Y224-G241 PolarHBondContact OH-N 2.89Å; E225-G241 CarbonylContact O-C 3.57Å; E225-G241 WeakPolarHBondContact O-CA 3.3Å; G241-F263 WeakPolarHBondContact O-CD2 3.48Å
242K93.6Very high88.1Confident41 Ų4148.5 Ų48.518%0.17824%0.235CC..EExtended strand (participates in β ladder)trans-127.4136.1177.3-51.7-168.9-150.8109.60110E225 Y244 V260 Q262 D335E225-K242 HydrophobicContact CB-CB 4.27Å; E225-K242 PolarHBondContact N-O 2.62Å; E225-K242 PolarHBondContact O-N 3.05Å; E225-K242 IonicContact OE1-NZ 2.75Å; E225-K242 IonicContact OE2-NZ 3.31Å; E225-K242 PolarHBondContact OE2-NZ 3.12Å; K242-Y244 HydrophobicContact CB-CD2 4.39Å; K242-Y244 HydrophobicContact CB-CE2 3.79Å; K242-Y244 HydrophobicContact CD-CE2 4.49Å; K242-V260 HydrophobicContact CB-CG2 3.89Å; K242-V260 HydrophobicContact CD-CG2 4.04Å; K242-Q262 HydrophobicContact CD-CG 4.11Å; K242-Q262 HydrophobicContact CG-CG 4.29Å; K242-D335 IonicContact NZ-OD2 2.93Å; K242-D335 PolarHBondContact NZ-OD2 3.38Å
243L95.8Very high89.9Confident0 Ų046.3 Ų46.30%022%0.22CC..EExtended strand (participates in β ladder)trans-98.2125173.8170.375.8000109.1S169 I177 M222 L223 Y224 V260 L261 F263 W277S169-L243 VanDerWaalsContact CB-CD1 3.48Å; S169-L243 WeakPolarHBondContact OG-CD1 3.2Å; I177-L243 HydrophobicContact CG2-CD2 3.92Å; M222-L243 HydrophobicContact CB-CD1 4.31Å; M222-L243 HydrophobicContact CE-CD1 3.66Å; M222-L243 HydrophobicContact CE-CD2 3.73Å; M222-L243 HydrophobicContact CE-CG 4.2Å; L223-L243 CarbonylContact O-C 3.51Å; L223-L243 WeakPolarHBondContact O-CA 2.97Å; Y224-L243 HydrophobicContact CD2-CB 4.25Å; L243-V260 CarbonylContact O-C 3.58Å; L243-V260 VanDerWaalsContact O-CA 3.3Å; L243-V260 WeakPolarHBondContact O-CA 3.44Å; L243-L261 HydrophobicContact CB-CB 4.16Å; L243-L261 HydrophobicContact CD2-CB 4.32Å; L243-L261 HydrophobicContact CD2-CD2 4.04Å; L243-L261 PolarHBondContact N-O 3.12Å; L243-L261 PolarHBondContact O-N 2.84Å; L243-F263 HydrophobicContact CB-CZ 4.49Å; L243-W277 HydrophobicContact CD2-CH2 4.17Å
244Y96.3Very high91.5Very high12 Ų1243 Ų435%0.04720%0.195CC..EExtended strand (participates in β ladder)trans-104142.1175.7-70.1-93000110.7M222 L223 E225 K242 I258 Y259 V260 L280 I326 I339 T359M222-Y244 WeakPolarHBondContact CA-O 3.36Å; L223-Y244 PolarHBondContact N-O 2.78Å; L223-Y244 PolarHBondContact O-N 2.99Å; E225-Y244 HydrophobicContact CB-CD2 4.3Å; E225-Y244 HydrophobicContact CB-CE2 3.85Å; E225-Y244 WeakPolarHBondContact OE2-CE2 3.27Å; E225-Y244 PolarHBondContact OE2-OH 2.57Å; K242-Y244 HydrophobicContact CB-CD2 4.39Å; K242-Y244 HydrophobicContact CB-CE2 3.79Å; K242-Y244 HydrophobicContact CD-CE2 4.49Å; Y244-I258 HydrophobicContact CD1-CG2 4.34Å; Y244-Y259 CarbonylContact C-O 3.54Å; Y244-Y259 VanDerWaalsContact CA-O 3.31Å; Y244-Y259 WeakPolarHBondContact CA-O 3.4Å; Y244-V260 HydrophobicContact CD1-CB 4.08Å; Y244-V260 HydrophobicContact CD1-CG2 4.15Å; Y244-V260 HydrophobicContact CE1-CB 3.98Å; Y244-V260 HydrophobicContact CE1-CG2 3.85Å; Y244-V260 HydrophobicContact CE2-CG2 4.25Å; Y244-L280 HydrophobicContact CD1-CD1 4.15Å; Y244-L280 HydrophobicContact CE1-CD1 3.67Å; Y244-I326 HydrophobicContact CD2-CD1 4.04Å; Y244-I326 HydrophobicContact CE2-CD1 4.11Å; Y244-I339 HydrophobicContact CD1-CD1 3.57Å; Y244-I339 HydrophobicContact CD2-CD1 4.27Å; Y244-I339 HydrophobicContact CE1-CD1 4.09Å; Y244-I339 HydrophobicContact CG-CD1 3.65Å; Y244-T359 HydrophobicContact CE1-CG2 4.09Å
245I96.9Very high92.8Very high0 Ų042.5 Ų42.50%019%0.192CC..EExtended strand (participates in β ladder)trans-122.1134.5170.2-61.6-168000108.5F179 P214 H220 L221 M222 I258 Y259 W277F179-I245 HydrophobicContact CB-CD1 4.46Å; F179-I245 HydrophobicContact CD1-CD1 3.31Å; F179-I245 HydrophobicContact CE1-CD1 3.78Å; F179-I245 HydrophobicContact CG-CD1 4.06Å; P214-I245 HydrophobicContact CG-CD1 4.13Å; H220-I245 HydrophobicContact CB-CG2 4.17Å; L221-I245 CarbonylContact O-C 3.53Å; L221-I245 VanDerWaalsContact O-CA 3.27Å; L221-I245 WeakPolarHBondContact O-CA 3.4Å; M222-I245 HydrophobicContact CG-CD1 4.33Å; M222-I245 HydrophobicContact CG-CG1 4.1Å; I245-I258 CarbonylContact O-C 3.44Å; I245-I258 VanDerWaalsContact O-CA 3.27Å; I245-I258 WeakPolarHBondContact O-CA 3.21Å; I245-Y259 PolarHBondContact N-O 3.35Å; I245-Y259 PolarHBondContact O-N 2.79Å; I245-W277 HydrophobicContact CD1-CH2 3.45Å; I245-W277 VanDerWaalsContact CD1-CH2 3.45Å; I245-W277 HydrophobicContact CD1-CZ2 4.29Å; I245-W277 HydrophobicContact CD1-CZ3 4.07Å; I245-W277 HydrophobicContact CG1-CH2 3.93Å; I245-W277 HydrophobicContact CG1-CZ3 4.19Å
246H97.4Very high93.9Very high6 Ų635.8 Ų35.83%0.02817%0.171CC..EExtended strand (participates in β ladder)trans-128.8133.5171.3173.1-101.5000112L221 D257 H322 I341 W364L221-H246 PolarHBondContact N-O 3.37Å; L221-H246 PolarHBondContact O-N 2.77Å; H246-D257 WeakPolarHBondContact CA-O 3.26Å; H246-H322 AromaticContact CE1-NE2 3.67Å; H246-H322 AromaticContact CG-NE2 3.93Å; H246-H322 AromaticContact ND1-CD2 3.87Å; H246-H322 AromaticContact ND1-CE1 3.43Å; H246-H322 PolarHBondContact ND1-CE1 3.4Å; H246-H322 AromaticContact ND1-NE2 2.86Å; H246-H322 PolarHBondContact ND1-NE2 3.15Å; H246-H322 PolarHBondContact O-CE1 2.89Å; H246-I341 VanDerWaalsContact CE1-CD1 3.4Å; H246-I341 WeakPolarHBondContact CE1-CD1 3.48Å; H246-W364 AromaticContact NE2-CZ2 3.94Å
247G97.3Very high94.8Very high0 Ų031.8 Ų31.80%015%0.153CC..EExtended strand (participates in β ladder)trans59.9-140.4170.400000114.2R217 H220 L255 D257R217-G247 WeakPolarHBondContact CD-O 3.07Å; R217-G247 PolarHBondContact NH1-O 2.89Å; H220-G247 WeakPolarHBondContact CB-O 3.24Å; G247-L255 WeakPolarHBondContact CA-O 3.48Å; G247-D257 PolarHBondContact N-O 3.39Å
248G97Very high95.3Very high0 Ų029.8 Ų29.80%015%0.146CC..EExtended strand (participates in β ladder)trans99.1-168.9-171.100000112.2L218 L255 R319L218-G248 CarbonylContact O-C 3.49Å; L218-G248 VanDerWaalsContact O-CA 3.24Å; L218-G248 WeakPolarHBondContact O-CA 3.19Å; G248-L255 WeakPolarHBondContact O-CB 3.47Å; G248-L255 PolarHBondContact O-N 2.98Å; G248-R319 PolarHBondContact N-O 3.31Å
249M96.6Very high95.7Very high28 Ų2830.4 Ų30.414%0.13815%0.148CC..EExtended strand (participates in β ladder)trans-143.4159.9179.262.9-169.6-70.500112.5R217 L218 N251 K253 L254 A320 L345R217-M249 CarbonylContact C-O 3.55Å; R217-M249 VanDerWaalsContact CA-O 3.24Å; R217-M249 WeakPolarHBondContact CA-O 3.44Å; R217-M249 WeakPolarHBondContact CB-O 3.36Å; L218-M249 HydrophobicContact CD2-CG 3.9Å; L218-M249 WeakPolarHBondContact CD2-O 3.36Å; L218-M249 HydrophobicContact CG-CG 3.83Å; L218-M249 PolarHBondContact N-O 3.43Å; L218-M249 PolarHBondContact O-N 2.9Å; M249-N251 WeakPolarHBondContact CE-O 3.4Å; M249-K253 CarbonylContact C-O 3.58Å; M249-K253 WeakPolarHBondContact CA-O 3.37Å; M249-K253 WeakPolarHBondContact CB-O 3.34Å; M249-L254 HydrophobicContact CB-CD2 4Å; M249-A320 HydrophobicContact CB-CB 3.98Å; M249-A320 HydrophobicContact CG-CB 3.83Å; M249-A320 HydrophobicContact SD-CB 3.79Å; M249-L345 HydrophobicContact SD-CD2 4.48Å
250V96.7Very high96Very high32 Ų3230.6 Ų30.619%0.19415%0.149CC..EExtended strand (participates in β ladder)trans-138.6114.1171.841.50000108P188 E252 K253 L255P188-V250 HydrophobicContact CG-CB 4.43Å; P188-V250 HydrophobicContact CG-CG2 4.23Å; V250-E252 PolarHBondContact O-N 3.05Å; V250-K253 HydrophobicContact CG1-CB 4.32Å; V250-K253 PolarHBondContact N-O 2.84Å; V250-K253 PolarHBondContact O-N 3.14Å; V250-L255 HydrophobicContact CG1-CD1 4.37Å
251N95.5Very high96.4Very high74 Ų7426.5 Ų26.540%0.39613%0.131SC..THydrogen-bonded Turntrans52.3-125.4-165.7-49.1-66.3000108.8S186 M249S186-N251 VanDerWaalsContact O-CA 3.22Å; S186-N251 WeakPolarHBondContact O-CA 3.22Å; S186-N251 PolarHBondContact O-N 2.83Å; M249-N251 WeakPolarHBondContact CE-O 3.4Å
252E93.8Very high96.6Very high144 Ų14430.7 Ų30.767%0.67315%0.15SC*.THydrogen-bonded Turntrans-89.4-1.4-179.5-52.1-50.4123.800113.7S186 V250S186-E252 PolarHBondContact OG-OE1 2.94Å; V250-E252 PolarHBondContact O-N 3.05Å
253K97.6Very high96.6Very high67 Ų6729.8 Ų29.829%0.29115%0.146SC..EExtended strand (participates in β ladder)trans-89.6115.8-177.8-175-177.3178.2-178.20110.4M249 V250 L255 C300M249-K253 CarbonylContact C-O 3.58Å; M249-K253 WeakPolarHBondContact CA-O 3.37Å; M249-K253 WeakPolarHBondContact CB-O 3.34Å; V250-K253 HydrophobicContact CG1-CB 4.32Å; V250-K253 PolarHBondContact N-O 2.84Å; V250-K253 PolarHBondContact O-N 3.14Å; K253-L255 HydrophobicContact CD-CD2 4.3Å; K253-L255 HydrophobicContact CG-CD2 4.35Å; K253-C300 PolarHBondContact NZ-SG 2.88Å
254L98.3Very high96.3Very high19 Ų1932.6 Ų32.610%0.09916%0.163CC..EExtended strand (participates in β ladder)trans-81.6150.2169.6-69159.9000111M249 P318 A320 S346 L347M249-L254 HydrophobicContact CB-CD2 4Å; L254-P318 HydrophobicContact CB-CB 3.74Å; L254-A320 HydrophobicContact CD2-CB 3.6Å; L254-S346 VanDerWaalsContact CD1-C 3.44Å; L254-L347 HydrophobicContact CD1-CD2 4.1Å; L254-L347 HydrophobicContact CD1-CG 3.98Å; L254-L347 VanDerWaalsContact CD1-N 3.33Å
255L97.8Very high95.8Very high13 Ų1336.2 Ų36.27%0.06818%0.183CC..EExtended strand (participates in β ladder)trans-123.1150.9-176.4-53.6171.9000110.7R217 G247 G248 V250 K253 P318 R319R217-L255 HydrophobicContact CB-CD1 4.31Å; R217-L255 VanDerWaalsContact CZ-CD1 3.46Å; G247-L255 WeakPolarHBondContact CA-O 3.48Å; G248-L255 WeakPolarHBondContact O-CB 3.47Å; G248-L255 PolarHBondContact O-N 2.98Å; V250-L255 HydrophobicContact CG1-CD1 4.37Å; K253-L255 HydrophobicContact CD-CD2 4.3Å; K253-L255 HydrophobicContact CG-CD2 4.35Å; L255-P318 WeakPolarHBondContact O-CA 3.15Å; L255-R319 PolarHBondContact O-N 2.65Å
256D96.8Very high94.6Very high76 Ų7638.7 Ų38.741%0.40620%0.195SC..EExtended strand (participates in β ladder)trans-127.99.4177.457.2-5.7000112.6P318D256-P318 HydrophobicContact CB-CB 4.22Å; D256-P318 HydrophobicContact CB-CG 3.95Å
257D97.2Very high92.9Very high19 Ų1943.3 Ų43.310%0.10223%0.234CC..EExtended strand (participates in β ladder)trans-75.7151.9-177.150.412.3000112R217 H246 G247 Y259R217-D257 IonicContact CZ-OD1 2.67Å; R217-D257 IonicContact CZ-OD2 3.58Å; R217-D257 IonicContact NH1-OD1 3.82Å; R217-D257 PolarHBondContact NH1-OD1 2.86Å; R217-D257 IonicContact NH1-OD2 3.67Å; R217-D257 IonicContact NH2-OD1 3.61Å; R217-D257 IonicContact NH2-OD2 3.83Å; R217-D257 PolarHBondContact NH2-OD2 2.81Å; R217-D257 VanDerWaalsContact NH2-OD2 3.12Å; H246-D257 WeakPolarHBondContact CA-O 3.26Å; G247-D257 PolarHBondContact N-O 3.39Å; D257-Y259 HydrophobicContact CB-CD2 4.42Å; D257-Y259 HydrophobicContact CB-CE2 3.89Å; D257-Y259 WeakPolarHBondContact OD2-CE2 3.48Å
258I97.1Very high90.9Very high3 Ų349 Ų492%0.01527%0.265CS..EExtended strand (participates in β ladder)trans-116.3129.7173.4-55.4169.6000108.3Y244 I245 L280 F357 W364Y244-I258 HydrophobicContact CD1-CG2 4.34Å; I245-I258 CarbonylContact O-C 3.44Å; I245-I258 VanDerWaalsContact O-CA 3.27Å; I245-I258 WeakPolarHBondContact O-CA 3.21Å; I258-L280 HydrophobicContact CB-CB 4.14Å; I258-L280 HydrophobicContact CG2-CB 4.13Å; I258-L280 HydrophobicContact CG2-CD1 3.97Å; I258-L280 HydrophobicContact CG2-CG 4.42Å; I258-L280 PolarHBondContact O-N 3.04Å; I258-F357 HydrophobicContact CD1-CD1 3.94Å; I258-F357 HydrophobicContact CD1-CD2 3.76Å; I258-F357 HydrophobicContact CD1-CE1 3.89Å; I258-F357 HydrophobicContact CD1-CE2 3.71Å; I258-F357 HydrophobicContact CD1-CG 3.86Å; I258-F357 HydrophobicContact CD1-CZ 3.77Å; I258-W364 HydrophobicContact CD1-CZ2 3.63Å; I258-W364 HydrophobicContact CG1-CZ2 4.33Å
259Y97.6Very high88.6Confident14 Ų1455.4 Ų55.46%0.05530%0.299CS..EExtended strand (participates in β ladder)trans-118.5151.8170.9-71.8-100.8000110.5L212 P214 Y244 I245 D257 S278 K279L212-Y259 HydrophobicContact CG-CE1 4.44Å; L212-Y259 WeakPolarHBondContact O-CD1 3.26Å; L212-Y259 VanDerWaalsContact O-CE1 3.26Å; L212-Y259 WeakPolarHBondContact O-CE1 3.37Å; P214-Y259 HydrophobicContact CB-CD1 4.17Å; P214-Y259 HydrophobicContact CB-CD2 3.71Å; P214-Y259 HydrophobicContact CB-CE1 4.22Å; P214-Y259 HydrophobicContact CB-CE2 3.77Å; P214-Y259 HydrophobicContact CB-CG 3.91Å; P214-Y259 HydrophobicContact CG-CD1 4.16Å; P214-Y259 HydrophobicContact CG-CD2 4.21Å; P214-Y259 HydrophobicContact CG-CG 3.94Å; Y244-Y259 CarbonylContact C-O 3.54Å; Y244-Y259 VanDerWaalsContact CA-O 3.31Å; Y244-Y259 WeakPolarHBondContact CA-O 3.4Å; I245-Y259 PolarHBondContact N-O 3.35Å; I245-Y259 PolarHBondContact O-N 2.79Å; D257-Y259 HydrophobicContact CB-CD2 4.42Å; D257-Y259 HydrophobicContact CB-CE2 3.89Å; D257-Y259 WeakPolarHBondContact OD2-CE2 3.48Å; Y259-S278 WeakPolarHBondContact CA-O 3.14Å; Y259-K279 HydrophobicContact CD1-CB 4.07Å; Y259-K279 HydrophobicContact CD1-CG 4.49Å; Y259-K279 HydrophobicContact CE1-CB 3.76Å; Y259-K279 HydrophobicContact CE1-CD 4.26Å; Y259-K279 HydrophobicContact CE1-CG 4.06Å; Y259-K279 HydrophobicContact CE2-CD 4.4Å; Y259-K279 HydrophobicContact CE2-CG 4.29Å
260V97Very high86.7Confident4 Ų462.2 Ų62.22%0.02434%0.336CS..EExtended strand (participates in β ladder)trans-126.9131.8170.364.50000109.6K242 L243 Y244 Q262 W277 S278 L280K242-V260 HydrophobicContact CB-CG2 3.89Å; K242-V260 HydrophobicContact CD-CG2 4.04Å; L243-V260 CarbonylContact O-C 3.58Å; L243-V260 VanDerWaalsContact O-CA 3.3Å; L243-V260 WeakPolarHBondContact O-CA 3.44Å; Y244-V260 HydrophobicContact CD1-CB 4.08Å; Y244-V260 HydrophobicContact CD1-CG2 4.15Å; Y244-V260 HydrophobicContact CE1-CB 3.98Å; Y244-V260 HydrophobicContact CE1-CG2 3.85Å; Y244-V260 HydrophobicContact CE2-CG2 4.25Å; V260-Q262 HydrophobicContact CG2-CG 4.2Å; V260-W277 WeakPolarHBondContact O-CA 3.24Å; V260-S278 PolarHBondContact N-O 2.88Å; V260-S278 PolarHBondContact O-N 3.01Å; V260-L280 HydrophobicContact CB-CD1 4.19Å; V260-L280 HydrophobicContact CB-CG 4.43Å; V260-L280 HydrophobicContact CG1-CD1 4.16Å; V260-L280 HydrophobicContact CG1-CD2 3.95Å; V260-L280 HydrophobicContact CG1-CG 3.99Å
261L97.4Very high84.8Confident0 Ų064.7 Ų64.70%035%0.348CS..EExtended strand (participates in β ladder)trans-103.5119.3168.6-175.964.3000108.4V194 V209 L243 F263 W277V194-L261 HydrophobicContact CG1-CD2 4.14Å; V194-L261 HydrophobicContact CG2-CD2 4.34Å; V209-L261 HydrophobicContact CG1-CD1 4.21Å; L243-L261 HydrophobicContact CB-CB 4.16Å; L243-L261 HydrophobicContact CD2-CB 4.32Å; L243-L261 HydrophobicContact CD2-CD2 4.04Å; L243-L261 PolarHBondContact N-O 3.12Å; L243-L261 PolarHBondContact O-N 2.84Å; L261-F263 HydrophobicContact CD2-CE1 3.99Å; L261-F263 HydrophobicContact CD2-CZ 4.03Å; L261-F263 HydrophobicContact CG-CE1 4.36Å; L261-F263 HydrophobicContact CG-CZ 4.32Å; L261-W277 HydrophobicContact CB-CD2 3.96Å; L261-W277 HydrophobicContact CB-CE3 3.69Å; L261-W277 HydrophobicContact CB-CH2 3.66Å; L261-W277 HydrophobicContact CB-CZ2 3.94Å; L261-W277 HydrophobicContact CB-CZ3 3.55Å; L261-W277 HydrophobicContact CD1-CD2 3.7Å; L261-W277 HydrophobicContact CD1-CE3 4.29Å; L261-W277 HydrophobicContact CD1-CG 3.82Å; L261-W277 HydrophobicContact CD1-CZ2 4.22Å; L261-W277 HydrophobicContact CD2-CH2 4.27Å; L261-W277 HydrophobicContact CD2-CZ2 3.86Å; L261-W277 HydrophobicContact CG-CD2 4.36Å; L261-W277 HydrophobicContact CG-CH2 4.44Å; L261-W277 HydrophobicContact CG-CZ2 4.24Å
262Q95.5Very high84Confident93 Ų9366.4 Ų66.444%0.43535%0.353SS..EExtended strand (participates in β ladder)trans-107.3136.7174.1-63.9-176.1-15.100109.8K242 V260 G275 I276K242-Q262 HydrophobicContact CD-CG 4.11Å; K242-Q262 HydrophobicContact CG-CG 4.29Å; V260-Q262 HydrophobicContact CG2-CG 4.2Å; Q262-G275 CarbonylContact O-C 3.52Å; Q262-G275 WeakPolarHBondContact O-CA 3.01Å; Q262-I276 PolarHBondContact N-O 2.81Å; Q262-I276 PolarHBondContact O-N 3.23Å
263F93.5Very high83.8Confident22 Ų2260.7 Ų60.710%0.09633%0.326CS..EExtended strand (participates in β ladder)trans-92.7134.9179.8-53.6-84.8000110.1I177 I207 Y224 P239 G241 L243 L261 F273 K274I177-F263 HydrophobicContact CD1-CE1 4.2Å; I177-F263 HydrophobicContact CD1-CE2 4.48Å; I177-F263 HydrophobicContact CD1-CZ 3.58Å; I207-F263 HydrophobicContact CD1-CE1 4.04Å; Y224-F263 AromaticContact CE2-CE2 3.88Å; Y224-F263 HydrophobicContact CE2-CE2 3.88Å; Y224-F263 HydrophobicContact CE2-CZ 4.47Å; P239-F263 HydrophobicContact CB-CB 4.48Å; P239-F263 HydrophobicContact CB-CD1 4.28Å; P239-F263 HydrophobicContact CB-CD2 3.73Å; P239-F263 HydrophobicContact CB-CE2 4.02Å; P239-F263 HydrophobicContact CB-CG 3.88Å; P239-F263 HydrophobicContact CB-CZ 4.41Å; P239-F263 HydrophobicContact CG-CD1 4.3Å; P239-F263 HydrophobicContact CG-CE1 4.44Å; P239-F263 HydrophobicContact CG-CG 4.37Å; P239-F263 WeakPolarHBondContact O-CB 3.5Å; G241-F263 WeakPolarHBondContact O-CD2 3.48Å; L243-F263 HydrophobicContact CB-CZ 4.49Å; L261-F263 HydrophobicContact CD2-CE1 3.99Å; L261-F263 HydrophobicContact CD2-CZ 4.03Å; L261-F263 HydrophobicContact CG-CE1 4.36Å; L261-F263 HydrophobicContact CG-CZ 4.32Å; F263-F273 HydrophobicContact CB-CD2 4.45Å; F263-F273 HydrophobicContact CD1-CD2 4.06Å; F263-F273 AromaticContact CD1-CE2 3.81Å; F263-F273 HydrophobicContact CD1-CE2 3.81Å; F263-F273 HydrophobicContact CE1-CE2 4.42Å; F263-K274 WeakPolarHBondContact CA-O 3.2Å
264T90Very high83.6Confident58 Ų5859.5 Ų59.536%0.35632%0.321SS..EExtended strand (participates in β ladder)trans-133.4142.8178.5-172.80000110.8F273 K274 I276T264-F273 WeakPolarHBondContact O-CA 2.95Å; T264-F273 VanDerWaalsContact O-CB 3.31Å; T264-F273 WeakPolarHBondContact O-CB 3.3Å; T264-K274 HydrophobicContact CG2-CD 4.31Å; T264-K274 HydrophobicContact CG2-CG 3.56Å; T264-K274 PolarHBondContact N-O 2.85Å; T264-K274 PolarHBondContact O-N 2.85Å; T264-I276 HydrophobicContact CG2-CD1 4.34Å; T264-I276 HydrophobicContact CG2-CG1 3.91Å
265N84.2Confident83.5Confident88 Ų8858.6 Ų58.647%0.47132%0.316SS..EExtended strand (participates in β ladder)trans-64.9142.8175.3-69.25.2000109.4I238 K240I238-N265 WeakPolarHBondContact CD1-OD1 3.36Å; K240-N265 PolarHBondContact NZ-OD1 3.12Å
266Q73Confident83.4Confident52 Ų5260.2 Ų60.224%0.24332%0.324CS..  trans-107.9126.2176.3-166.7170.1-32.500109.4D268 H272Q266-D268 WeakPolarHBondContact CG-O 3.49Å; Q266-D268 PolarHBondContact NE2-O 2.66Å; Q266-H272 PolarHBondContact N-O 3.21Å
267A60.8Low83.5Confident103 Ų10356.7 Ų56.785%0.85131%0.305SS*.SBendtrans-78.9-23.3179.900000113.1
268D56.3Low83.5Confident121 Ų12158.1 Ų58.165%0.64732%0.317SS*.SBendtrans-123.1126.5-171.7-72.7-38.1000111.4Q266Q266-D268 WeakPolarHBondContact CG-O 3.49Å; Q266-D268 PolarHBondContact NE2-O 2.66Å
269N49.1Very low83.5Confident133 Ų13359.6 Ų59.671%0.71132%0.323SS*.SBendtrans98.6161176.6-54.4-34.4000116.3L271N269-L271 PolarHBondContact O-N 2.75Å
270N55.5Low83.4Confident172 Ų17260 Ų6092%0.9233%0.326SS*.SBendtrans-59.69.5178.5-65.7-22.5000115.3
271L57.2Low83Confident84 Ų8465.6 Ų65.644%0.4435%0.348SS..  trans-109.9124179.2-74.5152.3000108.1P208 N269 F273P208-L271 HydrophobicContact CG-CD1 3.78Å; P208-L271 HydrophobicContact CG-CD2 4Å; P208-L271 HydrophobicContact CG-CG 4.33Å; N269-L271 PolarHBondContact O-N 2.75Å; L271-F273 VanDerWaalsContact C-N 3.34Å; L271-F273 PolarHBondContact O-N 2.79Å
272H77.7Confident82.4Confident110 Ų11066.2 Ų66.251%0.50935%0.352SS..SBendtrans-72.6-23.7-172.7-67.4-85.5000113.7E236 I238 Q266E236-H272 IonicContact OE1-CE1 3.7Å; E236-H272 IonicContact OE1-ND1 3.43Å; E236-H272 PolarHBondContact OE1-ND1 3.25Å; I238-H272 HydrophobicContact CD1-CB 4.23Å; I238-H272 WeakPolarHBondContact CD1-O 3.04Å; I238-H272 HydrophobicContact CG1-CB 4.41Å; Q266-H272 PolarHBondContact N-O 3.21Å
273F90.5Very high81.7Confident24 Ų2464.6 Ų64.611%0.10535%0.348CS..EExtended strand (participates in β ladder)trans-160.6166.6-178.369.8-81.4000113M196 I207 I238 P239 F263 T264 L271M196-F273 HydrophobicContact CE-CE1 4.17Å; M196-F273 HydrophobicContact CE-CZ 3.7Å; M196-F273 HydrophobicContact SD-CZ 3.98Å; I207-F273 HydrophobicContact CD1-CE2 4.32Å; I207-F273 HydrophobicContact CG1-CE2 4.04Å; I207-F273 HydrophobicContact CG1-CZ 4.2Å; I207-F273 HydrophobicContact CG2-CE2 4.12Å; I238-F273 HydrophobicContact CB-CB 4.47Å; I238-F273 HydrophobicContact CB-CD1 4.26Å; I238-F273 HydrophobicContact CB-CG 4.4Å; I238-F273 HydrophobicContact CD1-CB 4.15Å; I238-F273 HydrophobicContact CG1-CB 4.13Å; I238-F273 HydrophobicContact CG1-CD1 3.76Å; I238-F273 HydrophobicContact CG1-CG 4.18Å; I238-F273 HydrophobicContact CG2-CB 3.58Å; I238-F273 HydrophobicContact CG2-CD1 4.04Å; I238-F273 HydrophobicContact CG2-CD2 4.15Å; I238-F273 HydrophobicContact CG2-CG 3.68Å; P239-F273 HydrophobicContact CG-CE2 4.36Å; P239-F273 HydrophobicContact CG-CZ 4.37Å; F263-F273 HydrophobicContact CB-CD2 4.45Å; F263-F273 HydrophobicContact CD1-CD2 4.06Å; F263-F273 AromaticContact CD1-CE2 3.81Å; F263-F273 HydrophobicContact CD1-CE2 3.81Å; F263-F273 HydrophobicContact CE1-CE2 4.42Å; T264-F273 WeakPolarHBondContact O-CA 2.95Å; T264-F273 VanDerWaalsContact O-CB 3.31Å; T264-F273 WeakPolarHBondContact O-CB 3.3Å; L271-F273 VanDerWaalsContact C-N 3.34Å; L271-F273 PolarHBondContact O-N 2.79Å
274K93.1Very high80.4Confident41 Ų4165.9 Ų65.918%0.17836%0.356CS..EExtended strand (participates in β ladder)trans-132.7163.7171.464.6173.2170.3174.80111.5P208 E210 F263 T264 I276P208-K274 HydrophobicContact CB-CB 4.21Å; P208-K274 CarbonylContact O-C 3.56Å; P208-K274 WeakPolarHBondContact O-CA 3.4Å; P208-K274 WeakPolarHBondContact O-CB 3.42Å; E210-K274 HydrophobicContact CG-CD 4.44Å; E210-K274 IonicContact OE1-NZ 2.98Å; E210-K274 PolarHBondContact OE1-NZ 3.42Å; E210-K274 IonicContact OE2-NZ 3.93Å; E210-K274 PolarHBondContact OE2-NZ 3.02Å; F263-K274 WeakPolarHBondContact CA-O 3.2Å; T264-K274 HydrophobicContact CG2-CD 4.31Å; T264-K274 HydrophobicContact CG2-CG 3.56Å; T264-K274 PolarHBondContact N-O 2.85Å; T264-K274 PolarHBondContact O-N 2.85Å; K274-I276 HydrophobicContact CD-CD1 3.93Å; K274-I276 HydrophobicContact CG-CD1 4.3Å
275G95.8Very high78.7Confident0 Ų068 Ų680%037%0.365CS..EExtended strand (participates in β ladder)trans-101.7140169.500000112P208 V209 E210 Q262P208-G275 PolarHBondContact O-N 3.37Å; V209-G275 VanDerWaalsContact CA-O 3.27Å; V209-G275 WeakPolarHBondContact CA-O 3.42Å; E210-G275 PolarHBondContact N-O 2.82Å; Q262-G275 CarbonylContact O-C 3.52Å; Q262-G275 WeakPolarHBondContact O-CA 3.01Å
276I97.2Very high77Confident47 Ų4769.8 Ų69.824%0.24137%0.374CS..EExtended strand (participates in β ladder)trans-112.8115.1172.7-53.5-59.2000108.7E210 Q262 T264 K274E210-I276 HydrophobicContact CB-CD1 3.84Å; Q262-I276 PolarHBondContact N-O 2.81Å; Q262-I276 PolarHBondContact O-N 3.23Å; T264-I276 HydrophobicContact CG2-CD1 4.34Å; T264-I276 HydrophobicContact CG2-CG1 3.91Å; K274-I276 HydrophobicContact CD-CD1 3.93Å; K274-I276 HydrophobicContact CG-CD1 4.3Å
277W98.2Very high75.3Confident2 Ų271.3 Ų71.31%0.00839%0.391CS..EExtended strand (participates in β ladder)trans-80.3141.1174.3-76.9112.1000111.6F179 V194 E210 L212 P213 P214 L243 I245 V260 L261F179-W277 HydrophobicContact CD2-CZ2 4.37Å; V194-W277 HydrophobicContact CG2-CZ2 3.97Å; E210-W277 PolarHBondContact O-N 2.86Å; L212-W277 PolarHBondContact N-O 3.46Å; L212-W277 VanDerWaalsContact O-CB 3.31Å; L212-W277 WeakPolarHBondContact O-CB 3.08Å; P213-W277 HydrophobicContact CB-CB 4.43Å; P213-W277 HydrophobicContact CB-CG 4.07Å; P214-W277 HydrophobicContact CG-CD2 4.44Å; P214-W277 HydrophobicContact CG-CE3 4.29Å; P214-W277 HydrophobicContact CG-CH2 4.21Å; P214-W277 HydrophobicContact CG-CZ2 4.33Å; P214-W277 HydrophobicContact CG-CZ3 4.16Å; L243-W277 HydrophobicContact CD2-CH2 4.17Å; I245-W277 HydrophobicContact CD1-CH2 3.45Å; I245-W277 VanDerWaalsContact CD1-CH2 3.45Å; I245-W277 HydrophobicContact CD1-CZ2 4.29Å; I245-W277 HydrophobicContact CD1-CZ3 4.07Å; I245-W277 HydrophobicContact CG1-CH2 3.93Å; I245-W277 HydrophobicContact CG1-CZ3 4.19Å; V260-W277 WeakPolarHBondContact O-CA 3.24Å; L261-W277 HydrophobicContact CB-CD2 3.96Å; L261-W277 HydrophobicContact CB-CE3 3.69Å; L261-W277 HydrophobicContact CB-CH2 3.66Å; L261-W277 HydrophobicContact CB-CZ2 3.94Å; L261-W277 HydrophobicContact CB-CZ3 3.55Å; L261-W277 HydrophobicContact CD1-CD2 3.7Å; L261-W277 HydrophobicContact CD1-CE3 4.29Å; L261-W277 HydrophobicContact CD1-CG 3.82Å; L261-W277 HydrophobicContact CD1-CZ2 4.22Å; L261-W277 HydrophobicContact CD2-CH2 4.27Å; L261-W277 HydrophobicContact CD2-CZ2 3.86Å; L261-W277 HydrophobicContact CG-CD2 4.36Å; L261-W277 HydrophobicContact CG-CH2 4.44Å; L261-W277 HydrophobicContact CG-CZ2 4.24Å
278S97.7Very high74.3Confident50 Ų5072 Ų7235%0.3539%0.387SS..EExtended strand (participates in β ladder)trans-141.1137.1169.3-67.40000110.2Y259 V260Y259-S278 WeakPolarHBondContact CA-O 3.14Å; V260-S278 PolarHBondContact N-O 2.88Å; V260-S278 PolarHBondContact O-N 3.01Å
279K97.3Very high73Confident34 Ų3473.4 Ų73.415%0.14839%0.393CS..EExtended strand (participates in β ladder)trans-80.7130.2170.1-168.7170.4-176.7168.50109.3L212 Y259 Y281 E299L212-K279 HydrophobicContact CD2-CB 3.93Å; L212-K279 HydrophobicContact CD2-CD 4.44Å; Y259-K279 HydrophobicContact CD1-CB 4.07Å; Y259-K279 HydrophobicContact CD1-CG 4.49Å; Y259-K279 HydrophobicContact CE1-CB 3.76Å; Y259-K279 HydrophobicContact CE1-CD 4.26Å; Y259-K279 HydrophobicContact CE1-CG 4.06Å; Y259-K279 HydrophobicContact CE2-CD 4.4Å; Y259-K279 HydrophobicContact CE2-CG 4.29Å; K279-Y281 HydrophobicContact CB-CE2 4.22Å; K279-Y281 HydrophobicContact CD-CE1 4.11Å; K279-Y281 HydrophobicContact CG-CE1 4.46Å; K279-Y281 HydrophobicContact CG-CE2 4.34Å; K279-E299 IonicContact NZ-OE2 3.46Å
280L94.1Very high72.1Confident23 Ų2373.3 Ų73.312%0.1240%0.397CS..EExtended strand (participates in β ladder)trans-95120.2174.3-62.5-177.3000108.9Y244 I258 V260 F357Y244-L280 HydrophobicContact CD1-CD1 4.15Å; Y244-L280 HydrophobicContact CE1-CD1 3.67Å; I258-L280 HydrophobicContact CB-CB 4.14Å; I258-L280 HydrophobicContact CG2-CB 4.13Å; I258-L280 HydrophobicContact CG2-CD1 3.97Å; I258-L280 HydrophobicContact CG2-CG 4.42Å; I258-L280 PolarHBondContact O-N 3.04Å; V260-L280 HydrophobicContact CB-CD1 4.19Å; V260-L280 HydrophobicContact CB-CG 4.43Å; V260-L280 HydrophobicContact CG1-CD1 4.16Å; V260-L280 HydrophobicContact CG1-CD2 3.95Å; V260-L280 HydrophobicContact CG1-CG 3.99Å; L280-F357 HydrophobicContact CD1-CE1 4.4Å
281Y89.2Confident70.7Confident121 Ų12172.6 Ų72.648%0.47539%0.392SS..PPolyproline II helixtrans-94.1119.6173.2-60.5-87.1000108.5K279 T283K279-Y281 HydrophobicContact CB-CE2 4.22Å; K279-Y281 HydrophobicContact CD-CE1 4.11Å; K279-Y281 HydrophobicContact CG-CE1 4.46Å; K279-Y281 HydrophobicContact CG-CE2 4.34Å; Y281-T283 PolarHBondContact O-N 3Å
282P84.8Confident69.3Low13 Ų1373 Ų738%0.08440%0.402CS..PPolyproline II helixtrans-56.3136.8167.5-23.634.1000109.9D284 N285 F357 K362P282-D284 PolarHBondContact O-N 2.83Å; P282-D284 VanDerWaalsContact O-N 3.1Å; P282-N285 PolarHBondContact O-N 3.04Å; P282-F357 HydrophobicContact CB-CE2 4.39Å; P282-F357 HydrophobicContact CG-CE2 4.25Å; P282-K362 CarbonylContact C-O 3.51Å; P282-K362 WeakPolarHBondContact CA-O 3.4Å
283T80.2Confident67Low59 Ų5975.5 Ų75.536%0.36241%0.413SS..G310 helixtrans-59.2-25.2-176.612.30000113Y281 N285 T361 K362 Q363Y281-T283 PolarHBondContact O-N 3Å; T283-N285 VanDerWaalsContact C-N 3.3Å; T283-N285 PolarHBondContact O-N 3.35Å; T283-T361 PolarHBondContact OG1-O 3.22Å; T283-K362 PolarHBondContact N-O 3.02Å; T283-K362 PolarHBondContact OG1-O 2.99Å; T283-Q363 WeakPolarHBondContact OG1-CG 3.38Å; T283-Q363 PolarHBondContact OG1-NE2 2.83Å; T283-Q363 PolarHBondContact OG1-OE1 2.85Å
284D67.2Low64.2Low48 Ų4880.8 Ų80.826%0.25744%0.443SS..G310 helixtrans-73.2-19178.6-55.8-39.9000114.3P282 T313 Q363P282-D284 PolarHBondContact O-N 2.83Å; P282-D284 VanDerWaalsContact O-N 3.1Å; D284-T313 WeakPolarHBondContact CB-OG1 3.17Å; D284-T313 PolarHBondContact OD1-OG1 3.42Å; D284-T313 WeakPolarHBondContact OD2-CB 3.12Å; D284-T313 PolarHBondContact OD2-OG1 3.06Å; D284-Q363 PolarHBondContact OD1-NE2 3.1Å; D284-Q363 PolarHBondContact OD1-OE1 2.84Å; D284-Q363 PolarHBondContact OD2-OE1 2.75Å
285N54Low61.2Low103 Ų10386.4 Ų86.455%0.55148%0.475SS*.G310 helixtrans-90.84.5-179.3-78.4-13.4000113.6P282 T283 S287P282-N285 PolarHBondContact O-N 3.04Å; T283-N285 VanDerWaalsContact C-N 3.3Å; T283-N285 PolarHBondContact O-N 3.35Å; N285-S287 PolarHBondContact O-N 3.3Å
286L48.5Very low58.4Low125 Ų12591 Ų9165%0.65451%0.513SS*.  trans-76.190.4171.1-70166000109.2
287S37.7Very low55.4Low85 Ų8597.7 Ų97.759%0.59454%0.543SS*.  trans-59.1133.4160.158.70000108.4N285 L289N285-S287 PolarHBondContact O-N 3.3Å; S287-L289 PolarHBondContact O-N 3.14Å; S287-L289 VanDerWaalsContact O-N 3.12Å
288P39Very low52.2Low118 Ų118104.8 Ų104.877%0.76658%0.581SS**SBendtrans-69.4116.6173.327-29000107.3
289L29.8Very low49.5Very low150 Ų150108.6 Ų108.679%0.78559%0.593SS**  trans92.691.2172.5-53.7151.6000116.1S287S287-L289 PolarHBondContact O-N 3.14Å; S287-L289 VanDerWaalsContact O-N 3.12Å
290T28.6Very low46.4Very low130 Ų130111.4 Ų111.480%0.79862%0.616SS**  -148.498.2128.7-21.20000110.3
291I26.6Very low43.2Very low157 Ų157119 Ų11981%0.80565%0.651SS**  trans-80.3112.5161.1-62.9164.9000105.5
292S27.3Very low40.6Very low93 Ų93121.7 Ų121.765%0.6566%0.662SS**  trans161.5129.713448.10000114.7
293H30.8Very low38Very low162 Ų162128.8 Ų128.875%0.7570%0.698SS**  trans61.7112.8139.6-66.3-60.3000122.4
294D30.5Very low35.4Very low136 Ų136135.3 Ų135.373%0.72773%0.725SS**  29.496.5124.8-56.9-37.8000115.7
295N30.6Very low33.9Very low159 Ų159138.7 Ų138.785%0.8575%0.752SS**  trans-17293.9141.6-85.7-34.4000108.9E297N295-E297 VanDerWaalsContact C-N 3.34Å; N295-E297 PolarHBondContact O-N 2.88Å
296A37.8Very low32.7Very low96 Ų96143.1 Ų143.179%0.79377%0.769SS**THydrogen-bonded Turntrans-74.786.3170.200000109.1
297E33.7Very low31.9Very low188 Ų188140.6 Ų140.688%0.87977%0.773SS**THydrogen-bonded Turntrans-167.60.8159-110.2167.1-150.100115.7N295N295-E297 VanDerWaalsContact C-N 3.34Å; N295-E297 PolarHBondContact O-N 2.88Å
298N30.8Very low32Very low151 Ų151144 Ų14481%0.80778%0.784SS**  trans-128.729.1-175.3-88.8-25.5000116.4C300N298-C300 VanDerWaalsContact C-N 3.27Å; N298-C300 PolarHBondContact O-N 3.09Å
299E40Very low31.8Very low129 Ų129148.2 Ų148.260%0.60379%0.793SS**THydrogen-bonded Turntrans-8660.5174.4-69.7-164.2-179.100113K279K279-E299 IonicContact NZ-OE2 3.46Å
300C32.6Very low32.5Very low93 Ų93144.6 Ų144.663%0.62878%0.78SS**THydrogen-bonded Turntrans-123.8-2.7160.4-95.10000115.6K253 N298K253-C300 PolarHBondContact NZ-SG 2.88Å; N298-C300 VanDerWaalsContact C-N 3.27Å; N298-C300 PolarHBondContact O-N 3.09Å
301E27.5Very low33.3Very low182 Ų182145.2 Ų145.285%0.8578%0.784SS**  trans-106.9108.5173.3-75.9-177.8153.400110.4
302Y35.3Very low34.9Very low179 Ų179146.1 Ų146.170%0.70278%0.782SS**  trans-98.1120.5163.2-86.1-88.1000108.9
303L29.5Very low36.7Very low162 Ų162144.3 Ų144.385%0.84877%0.767SS**  trans-68.4132.9171.4-72.1160.6000110.3S305L303-S305 PolarHBondContact O-N 2.98Å
304E26.6Very low39.2Very low196 Ų196139.5 Ų139.592%0.91675%0.75SS**  trans-60.3115.9164.1-68.3178.2161.100108.8
305S35.1Very low42.1Very low119 Ų119135 Ų13583%0.83273%0.729SS**  trans-106.1109.8168.741.50000109.3L303L303-S305 PolarHBondContact O-N 2.98Å
306E28.9Very low45.2Very low195 Ų195127.7 Ų127.791%0.91169%0.691SS**  trans-69.4132.5169.6-70.3-175.3146.800110.8
307G32Very low48Very low72 Ų72124.9 Ų124.974%0.74267%0.671SS**  trans78.972.7140.800000119
308I39.3Very low51.1Low158 Ų158118.2 Ų118.281%0.8164%0.644SS**  trans-142.1117.6139.3-57.9-177.4000107.7S310I308-S310 PolarHBondContact O-N 2.82Å
309E35.2Very low54.3Low205 Ų205111.1 Ų111.196%0.95861%0.606SS**  trans-68.874.4169.3-75.8179.5158.600109.6
310S43.6Very low57Low74 Ų74105 Ų10552%0.51758%0.578SS.*  trans-76.8142.5155.192.30000107.3I308 K312I308-S310 PolarHBondContact O-N 2.82Å; S310-K312 PolarHBondContact O-N 2.95Å
311T46.6Very low60.1Low143 Ų143101 Ų10188%0.87755%0.551SS**  trans-62.981.6170.149.80000108.3T313T311-T313 PolarHBondContact O-N 2.78Å
312K58.7Low63.4Low177 Ų17792.4 Ų92.477%0.7751%0.511SS*.  trans-62.8109.4174.6-73.6-175.8177-177.30106.8S310S310-K312 PolarHBondContact O-N 2.95Å
313T66.5Low66.3Low55 Ų5583.9 Ų83.934%0.33748%0.478SS..  trans-49.4141.5158.543.70000108.6D284 T311 S315D284-T313 WeakPolarHBondContact CB-OG1 3.17Å; D284-T313 PolarHBondContact OD1-OG1 3.42Å; D284-T313 WeakPolarHBondContact OD2-CB 3.12Å; D284-T313 PolarHBondContact OD2-OG1 3.06Å; T311-T313 PolarHBondContact O-N 2.78Å; T313-S315 PolarHBondContact O-N 3.19Å; T313-S315 VanDerWaalsContact O-N 3.13Å
314P83.2Confident69.4Low60 Ų6076.4 Ų76.439%0.3944%0.44SS..  trans-67.3117.6-177.227.6-33.5000109.5F355 W364 E366P314-F355 HydrophobicContact CB-CE1 4.14Å; P314-W364 WeakPolarHBondContact O-CB 3.36Å; P314-E366 HydrophobicContact CB-CB 3.93Å; P314-E366 HydrophobicContact CG-CB 3.85Å
315S91.1Very high72.6Confident42 Ų4267.7 Ų67.729%0.29440%0.4SS..  trans-111.3147.5171.2-690000109.7T313 F355T313-S315 PolarHBondContact O-N 3.19Å; T313-S315 VanDerWaalsContact O-N 3.13Å; S315-F355 VanDerWaalsContact C-CE1 3.49Å
316P96.2Very high75.3Confident6 Ų663.1 Ų63.14%0.03937%0.366CS..PPolyproline II helixtrans-66138.7177.728.1-33.4000110.4I341 F355 W364P316-I341 HydrophobicContact CB-CD1 3.72Å; P316-I341 HydrophobicContact CG-CD1 3.81Å; P316-F355 HydrophobicContact CB-CB 4.34Å; P316-F355 HydrophobicContact CB-CD1 4.2Å; P316-F355 HydrophobicContact CB-CD2 3.83Å; P316-F355 HydrophobicContact CB-CE1 4.46Å; P316-F355 HydrophobicContact CB-CE2 4.13Å; P316-F355 HydrophobicContact CB-CG 3.87Å; P316-F355 HydrophobicContact CB-CZ 4.44Å; P316-F355 HydrophobicContact CG-CB 4.4Å; P316-F355 HydrophobicContact CG-CD1 4.38Å; P316-F355 HydrophobicContact CG-CG 4.26Å; P316-W364 VanDerWaalsContact CD-CG 3.43Å; P316-W364 HydrophobicContact CG-CD2 3.75Å; P316-W364 HydrophobicContact CG-CE3 4.04Å; P316-W364 HydrophobicContact CG-CG 4.3Å; P316-W364 HydrophobicContact CG-CH2 3.96Å; P316-W364 HydrophobicContact CG-CZ2 3.64Å; P316-W364 HydrophobicContact CG-CZ3 4.14Å
317G95.8Very high78.1Confident37 Ų3754.8 Ų54.838%0.38133%0.328SS..PPolyproline II helixtrans-69.4163.916900000112.8R319G317-R319 PolarHBondContact O-N 2.99Å; G317-R319 PolarHBondContact O-NE 2.73Å; G317-R319 VanDerWaalsContact O-NE 3.16Å
318P98.2Very high80.2Confident48 Ų4852.4 Ų52.431%0.31230%0.299SS..SBendtrans-52.9134175.3-25.633000113L254 L255 D256L254-P318 HydrophobicContact CB-CB 3.74Å; L255-P318 WeakPolarHBondContact O-CA 3.15Å; D256-P318 HydrophobicContact CB-CB 4.22Å; D256-P318 HydrophobicContact CB-CG 3.95Å
319R98Very high81.5Confident1 Ų146.6 Ų46.60%0.00427%0.269CS..  trans-154.8154.4-173.464.7-176.372-152.8-0.4115.1G248 L255 G317 H322 G343 L345 L351 D353G248-R319 PolarHBondContact N-O 3.31Å; L255-R319 PolarHBondContact O-N 2.65Å; G317-R319 PolarHBondContact O-N 2.99Å; G317-R319 PolarHBondContact O-NE 2.73Å; G317-R319 VanDerWaalsContact O-NE 3.16Å; R319-H322 HydrophobicContact CG-CB 4.48Å; R319-G343 PolarHBondContact NH1-O 2.89Å; R319-L345 WeakPolarHBondContact CA-O 3.31Å; R319-L345 WeakPolarHBondContact CB-O 3.28Å; R319-L351 HydrophobicContact CB-CD1 4.39Å; R319-L351 VanDerWaalsContact CZ-CD1 3.42Å; R319-D353 IonicContact CZ-OD1 3.5Å; R319-D353 IonicContact CZ-OD2 2.84Å; R319-D353 IonicContact NH1-OD1 3.55Å; R319-D353 PolarHBondContact NH1-OD1 3.03Å; R319-D353 IonicContact NH1-OD2 2.72Å; R319-D353 IonicContact NH2-OD1 3.12Å; R319-D353 PolarHBondContact NH2-OD1 3.06Å; R319-D353 IonicContact NH2-OD2 3.58Å; R319-D353 PolarHBondContact NH2-OD2 3.44Å
320A97.5Very high82.5Confident1 Ų138.1 Ų38.11%0.00823%0.229CC..BIsolated β-bridgetrans-131.7169.2171.400000110.7G219 M249 L254 H322 G344 L345G219-A320 CarbonylContact O-C 3.43Å; G219-A320 VanDerWaalsContact O-CA 3.32Å; G219-A320 WeakPolarHBondContact O-CA 3.07Å; M249-A320 HydrophobicContact CB-CB 3.98Å; M249-A320 HydrophobicContact CG-CB 3.83Å; M249-A320 HydrophobicContact SD-CB 3.79Å; L254-A320 HydrophobicContact CD2-CB 3.6Å; A320-H322 PolarHBondContact O-N 3.23Å; A320-G344 CarbonylContact O-C 3.59Å; A320-G344 VanDerWaalsContact O-CA 3.3Å; A320-G344 WeakPolarHBondContact O-CA 3.38Å; A320-L345 PolarHBondContact N-O 3.47Å; A320-L345 VanDerWaalsContact N-O 3.13Å; A320-L345 PolarHBondContact O-N 2.82Å
321A97.1Very high82.9Confident9 Ų936.7 Ų36.77%0.07422%0.215CC..SBendtrans53.632175.600000113.7G219 L379 D380G219-A321 PolarHBondContact O-N 3.02Å; A321-L379 HydrophobicContact CB-CB 3.93Å; A321-L379 HydrophobicContact CB-CD1 4.34Å; A321-L379 WeakPolarHBondContact O-CA 3.27Å; A321-D380 WeakPolarHBondContact CB-OD1 3.3Å; A321-D380 PolarHBondContact O-N 3.09Å; A321-D380 VanDerWaalsContact O-N 3.13Å
322H97.8Very high83Confident1 Ų138.3 Ų38.31%0.00521%0.207CC..  trans-97.1159.7177.863.1-77.6000110.2L221 H246 R319 A320 F342 G343L221-H322 VanDerWaalsContact CB-NE2 3.33Å; L221-H322 WeakPolarHBondContact CB-NE2 3.36Å; H246-H322 AromaticContact CE1-NE2 3.67Å; H246-H322 AromaticContact CG-NE2 3.93Å; H246-H322 AromaticContact ND1-CD2 3.87Å; H246-H322 AromaticContact ND1-CE1 3.43Å; H246-H322 PolarHBondContact ND1-CE1 3.4Å; H246-H322 AromaticContact ND1-NE2 2.86Å; H246-H322 PolarHBondContact ND1-NE2 3.15Å; H246-H322 PolarHBondContact O-CE1 2.89Å; R319-H322 HydrophobicContact CG-CB 4.48Å; A320-H322 PolarHBondContact O-N 3.23Å; H322-F342 WeakPolarHBondContact CB-O 3.27Å; H322-G343 VanDerWaalsContact CB-O 3.23Å; H322-G343 WeakPolarHBondContact CB-O 3.49Å
323G96.5Very high82.9Confident1 Ų132.9 Ų32.91%0.0120%0.2CC..EExtended strand (participates in β ladder)trans-102.8166.1174.700000112I341 F342 F381G323-I341 CarbonylContact O-C 3.56Å; G323-I341 WeakPolarHBondContact O-CA 3.31Å; G323-F342 PolarHBondContact N-O 3.38Å; G323-F342 VanDerWaalsContact N-O 3.1Å; G323-F342 PolarHBondContact O-N 3.05Å; G323-F381 VanDerWaalsContact N-CZ 3.31Å
324G94.4Very high82.8Confident4 Ų436.6 Ų36.64%0.04121%0.214CC..EExtended strand (participates in β ladder)trans-177.5177.3175.100000113.8L340 Y383G324-L340 CarbonylContact C-O 3.56Å; G324-L340 WeakPolarHBondContact CA-O 3.39Å; G324-Y383 WeakPolarHBondContact O-CD2 3.42Å; G324-Y383 WeakPolarHBondContact O-CE2 3.02Å
325T93.4Very high82.1Confident13 Ų1336 Ų368%0.0821%0.208CC..EExtended strand (participates in β ladder)trans-150.6166.3178-170.80000110L327 L340 T385 L453T325-L327 HydrophobicContact CG2-CD2 4.25Å; T325-L340 HydrophobicContact CG2-CB 4.04Å; T325-L340 HydrophobicContact CG2-CD1 4.07Å; T325-L340 PolarHBondContact N-O 2.72Å; T325-L340 PolarHBondContact O-N 3.32Å; T325-T385 HydrophobicContact CG2-CG2 3.73Å; T325-T385 VanDerWaalsContact OG1-CG2 3.31Å; T325-T385 WeakPolarHBondContact OG1-CG2 3.47Å; T325-L453 HydrophobicContact CG2-CD1 3.71Å
326I91.9Very high81.5Confident24 Ų2435.7 Ų35.712%0.12320%0.204CC..EExtended strand (participates in β ladder)trans-116.4121.7170.7-171.7162.9000109.4L223 Y224 E225 Y244 K338 I339L223-I326 HydrophobicContact CB-CB 4.33Å; L223-I326 HydrophobicContact CB-CG2 4.28Å; L223-I326 HydrophobicContact CD1-CB 4.31Å; Y224-I326 WeakPolarHBondContact O-CG2 3.36Å; E225-I326 HydrophobicContact CB-CD1 3.64Å; E225-I326 HydrophobicContact CG-CD1 3.88Å; Y244-I326 HydrophobicContact CD2-CD1 4.04Å; Y244-I326 HydrophobicContact CE2-CD1 4.11Å; I326-K338 CarbonylContact C-O 3.49Å; I326-K338 WeakPolarHBondContact CA-O 3.4Å; I326-I339 HydrophobicContact CB-CG1 4.49Å; I326-I339 HydrophobicContact CD1-CG1 3.99Å; I326-I339 HydrophobicContact CG1-CG1 4.15Å
327L86.5Confident81.1Confident20 Ų2035.4 Ų35.411%0.10520%0.202CC..EExtended strand (participates in β ladder)trans-92.2102.8170.2-55-175.4000107.7T325 N329 S337 K338 L340 E430 L453T325-L327 HydrophobicContact CG2-CD2 4.25Å; L327-N329 PolarHBondContact O-N 2.99Å; L327-S337 WeakPolarHBondContact O-CA 3Å; L327-K338 HydrophobicContact CB-CB 4.39Å; L327-K338 PolarHBondContact N-O 2.88Å; L327-K338 PolarHBondContact O-N 2.72Å; L327-L340 HydrophobicContact CD1-CD1 3.6Å; L327-L340 HydrophobicContact CG-CD1 3.84Å; L327-E430 WeakPolarHBondContact CD2-OE2 3.48Å; L327-L453 HydrophobicContact CD1-CB 4.09Å; L327-L453 HydrophobicContact CD2-CD1 3.95Å
328T76.4Confident81Confident22 Ų2236.7 Ų36.714%0.13520%0.197CC..  trans-81.2106.7176.5-58.30000109.3E225 K330E225-T328 HydrophobicContact CG-CG2 4.4Å; T328-K330 HydrophobicContact CG2-CD 3.98Å; T328-K330 HydrophobicContact CG2-CG 3.88Å
329N66.7Low80.8Confident36 Ų3634.7 Ų34.719%0.19318%0.184CC..  trans-111.5112.9170.2-174.6-16.3000108.8L327 I331 T336L327-N329 PolarHBondContact O-N 2.99Å; N329-I331 WeakPolarHBondContact OD1-CD1 3.34Å; N329-I331 WeakPolarHBondContact OD1-CG1 3.46Å; N329-I331 PolarHBondContact OD1-N 3.31Å; N329-T336 WeakPolarHBondContact CB-OG1 3.13Å; N329-T336 PolarHBondContact O-N 2.91Å; N329-T336 PolarHBondContact O-OG1 2.8Å
330K55.7Low80.6Confident26 Ų2635.1 Ų35.111%0.11319%0.186CC..  trans-121.252.6179.2-66.8-173.1-179.7170.10111.2E225 F226 Y228 T328 Q334E225-K330 WeakPolarHBondContact OE1-CE 3.4Å; E225-K330 IonicContact OE1-NZ 2.72Å; E225-K330 PolarHBondContact OE1-NZ 2.99Å; F226-K330 PolarHBondContact O-NZ 2.83Å; Y228-K330 HydrophobicContact CD2-CB 3.52Å; Y228-K330 HydrophobicContact CD2-CD 3.96Å; Y228-K330 HydrophobicContact CD2-CG 4.35Å; Y228-K330 HydrophobicContact CE2-CB 3.98Å; Y228-K330 HydrophobicContact CG-CB 4.43Å; Y228-K330 HydrophobicContact CG-CD 4.23Å; T328-K330 HydrophobicContact CG2-CD 3.98Å; T328-K330 HydrophobicContact CG2-CG 3.88Å; K330-Q334 WeakPolarHBondContact CA-O 3.3Å
331I52.7Low80.6Confident45 Ų4535.1 Ų35.123%0.23119%0.186CC..G310 helixtrans-70.5130.9170.4-64.8161.5000108.8N329 G333 Q334N329-I331 WeakPolarHBondContact OD1-CD1 3.34Å; N329-I331 WeakPolarHBondContact OD1-CG1 3.46Å; N329-I331 PolarHBondContact OD1-N 3.31Å; I331-G333 VanDerWaalsContact C-N 3.34Å; I331-G333 PolarHBondContact O-N 3.04Å; I331-Q334 PolarHBondContact O-N 3.47Å
332Y49.5Very low80.6Confident177 Ų17734.7 Ų34.769%0.69418%0.182SC*.G310 helixtrans6323.9178.2-53.9-65.9000116.9Q334 L462Y332-Q334 PolarHBondContact O-N 2.89Å; Y332-Q334 VanDerWaalsContact O-N 3.16Å; Y332-L462 HydrophobicContact CE1-CD2 3.95Å; Y332-L462 VanDerWaalsContact OH-CD1 3.26Å; Y332-L462 WeakPolarHBondContact OH-CD1 3.21Å
333G56.3Low80.6Confident62 Ų6234.7 Ų34.764%0.63918%0.182SC*.G310 helixtrans68.68.6-178.500000114.1I331I331-G333 VanDerWaalsContact C-N 3.34Å; I331-G333 PolarHBondContact O-N 3.04Å
334Q63.1Low80.7Confident133 Ų13334.6 Ų34.662%0.62118%0.182SC*.  trans-87.2130167.3-64.7-174-3.300108.6K330 I331 Y332 T336K330-Q334 WeakPolarHBondContact CA-O 3.3Å; I331-Q334 PolarHBondContact O-N 3.47Å; Y332-Q334 PolarHBondContact O-N 2.89Å; Y332-Q334 VanDerWaalsContact O-N 3.16Å; Q334-T336 HydrophobicContact CB-CG2 4.25Å; Q334-T336 PolarHBondContact O-N 2.92Å
335D69.2Low80.8Confident49 Ų4936.4 Ų36.426%0.26219%0.19SC..  trans-78.4100.2173.6-177.56.3000108.5K242 S337 S360K242-D335 IonicContact NZ-OD2 2.93Å; K242-D335 PolarHBondContact NZ-OD2 3.38Å; D335-S337 WeakPolarHBondContact OD1-CB 3.05Å; D335-S337 PolarHBondContact OD1-N 2.91Å; D335-S337 PolarHBondContact OD1-OG 2.79Å; D335-S360 VanDerWaalsContact O-CB 3.26Å; D335-S360 WeakPolarHBondContact O-CB 3.36Å
336T78.6Confident81Confident35 Ų3536.6 Ų36.622%0.21519%0.192CC..  trans-109.127.7178.163.10000111.8N329 Q334 K338N329-T336 WeakPolarHBondContact CB-OG1 3.13Å; N329-T336 PolarHBondContact O-N 2.91Å; N329-T336 PolarHBondContact O-OG1 2.8Å; Q334-T336 HydrophobicContact CB-CG2 4.25Å; Q334-T336 PolarHBondContact O-N 2.92Å; T336-K338 PolarHBondContact O-N 3.41Å
337S88.8Confident81.3Confident0 Ų042.3 Ų42.30%022%0.222CC..  trans-55.8138.4-177.7-57.80000111.4E225 L327 D335 T359E225-S337 PolarHBondContact OE1-OG 3.17Å; L327-S337 WeakPolarHBondContact O-CA 3Å; D335-S337 WeakPolarHBondContact OD1-CB 3.05Å; D335-S337 PolarHBondContact OD1-N 2.91Å; D335-S337 PolarHBondContact OD1-OG 2.79Å; S337-T359 WeakPolarHBondContact O-CG2 3.36Å; S337-T359 PolarHBondContact O-N 3.27Å; S337-T359 VanDerWaalsContact O-N 3.08Å; S337-T359 PolarHBondContact O-OG1 3.09Å
338K91.7Very high81.7Confident64 Ų6449.2 Ų49.228%0.27826%0.259SS..EExtended strand (participates in β ladder)trans-117.6125.1179.8-57.4-59.1-173.1164.20109.4I326 L327 T336 F357 D358I326-K338 CarbonylContact C-O 3.49Å; I326-K338 WeakPolarHBondContact CA-O 3.4Å; L327-K338 HydrophobicContact CB-CB 4.39Å; L327-K338 PolarHBondContact N-O 2.88Å; L327-K338 PolarHBondContact O-N 2.72Å; T336-K338 PolarHBondContact O-N 3.41Å; K338-F357 CarbonylContact C-O 3.6Å; K338-F357 WeakPolarHBondContact CA-O 3.49Å; K338-D358 HydrophobicContact CD-CB 4.04Å; K338-D358 IonicContact NZ-OD1 3.22Å; K338-D358 IonicContact NZ-OD2 2.7Å; K338-D358 PolarHBondContact NZ-OD2 2.9Å
339I94.5Very high82.8Confident5 Ų548.7 Ų48.73%0.02626%0.258CS..EExtended strand (participates in β ladder)trans-93.5122.5171-66.8167.7000107.8L223 Y244 I326 I341 C356 F357 T359L223-I339 HydrophobicContact CD1-CB 4.43Å; L223-I339 HydrophobicContact CD1-CG1 4.28Å; L223-I339 HydrophobicContact CD1-CG2 3.61Å; Y244-I339 HydrophobicContact CD1-CD1 3.57Å; Y244-I339 HydrophobicContact CD2-CD1 4.27Å; Y244-I339 HydrophobicContact CE1-CD1 4.09Å; Y244-I339 HydrophobicContact CG-CD1 3.65Å; I326-I339 HydrophobicContact CB-CG1 4.49Å; I326-I339 HydrophobicContact CD1-CG1 3.99Å; I326-I339 HydrophobicContact CG1-CG1 4.15Å; I339-I341 HydrophobicContact CG2-CG2 4.13Å; I339-C356 CarbonylContact O-C 3.56Å; I339-C356 WeakPolarHBondContact O-CA 3.42Å; I339-F357 HydrophobicContact CB-CB 4.23Å; I339-F357 HydrophobicContact CD1-CD1 4.34Å; I339-F357 PolarHBondContact N-O 2.62Å; I339-F357 PolarHBondContact O-N 2.74Å; I339-T359 HydrophobicContact CD1-CG2 4.05Å; I339-T359 HydrophobicContact CG1-CG2 4.25Å
340L94.8Very high84.3Confident10 Ų1047.8 Ų47.85%0.05226%0.255CS..EExtended strand (participates in β ladder)trans-105.2134.1175.1-69.6166.2000109G324 T325 L327 F355 C356 I367 L453G324-L340 CarbonylContact C-O 3.56Å; G324-L340 WeakPolarHBondContact CA-O 3.39Å; T325-L340 HydrophobicContact CG2-CB 4.04Å; T325-L340 HydrophobicContact CG2-CD1 4.07Å; T325-L340 PolarHBondContact N-O 2.72Å; T325-L340 PolarHBondContact O-N 3.32Å; L327-L340 HydrophobicContact CD1-CD1 3.6Å; L327-L340 HydrophobicContact CG-CD1 3.84Å; L340-F355 WeakPolarHBondContact CA-O 3.49Å; L340-C356 HydrophobicContact CD2-CB 3.7Å; L340-I367 HydrophobicContact CD2-CD1 3.43Å; L340-I367 VanDerWaalsContact CD2-CD1 3.43Å; L340-L453 HydrophobicContact CD1-CB 4.42Å; L340-L453 HydrophobicContact CD1-CD1 3.79Å; L340-L453 HydrophobicContact CD1-CD2 3.89Å; L340-L453 HydrophobicContact CD1-CG 4.26Å
341I96.9Very high86.3Confident1 Ų148.1 Ų48.11%0.00526%0.258CS..EExtended strand (participates in β ladder)trans-126.2147.417465.3171.9000110L221 H246 P316 G323 I339 M354 F355 W364L221-I341 HydrophobicContact CD2-CG2 3.71Å; H246-I341 VanDerWaalsContact CE1-CD1 3.4Å; H246-I341 WeakPolarHBondContact CE1-CD1 3.48Å; P316-I341 HydrophobicContact CB-CD1 3.72Å; P316-I341 HydrophobicContact CG-CD1 3.81Å; G323-I341 CarbonylContact O-C 3.56Å; G323-I341 WeakPolarHBondContact O-CA 3.31Å; I339-I341 HydrophobicContact CG2-CG2 4.13Å; I341-M354 VanDerWaalsContact O-CA 3.26Å; I341-M354 WeakPolarHBondContact O-CA 3.26Å; I341-M354 WeakPolarHBondContact O-CG 3.29Å; I341-F355 HydrophobicContact CD1-CB 4.16Å; I341-F355 HydrophobicContact CG1-CB 3.8Å; I341-F355 PolarHBondContact N-O 2.62Å; I341-F355 PolarHBondContact O-N 2.7Å; I341-W364 HydrophobicContact CD1-CH2 3.64Å; I341-W364 HydrophobicContact CD1-CZ2 4.43Å; I341-W364 HydrophobicContact CD1-CZ3 3.96Å; I341-W364 HydrophobicContact CG1-CH2 4.01Å; I341-W364 HydrophobicContact CG1-CZ3 3.98Å; I341-W364 HydrophobicContact CG2-CH2 4.23Å
342F97Very high88.4Confident1 Ų148.5 Ų48.50%0.00426%0.261CS..EExtended strand (participates in β ladder)trans-139.3137.1178.2175.3-101.6000111.4W14 H322 G323 N352 D353 M354 Y369 P375 R378 F381 I434W14-F342 HydrophobicContact CH2-CD1 4.49Å; W14-F342 HydrophobicContact CH2-CD2 4.46Å; W14-F342 HydrophobicContact CH2-CE1 4.48Å; W14-F342 HydrophobicContact CH2-CE2 4.42Å; W14-F342 HydrophobicContact CH2-CG 4.49Å; W14-F342 HydrophobicContact CH2-CZ 4.45Å; W14-F342 HydrophobicContact CZ2-CD1 4.41Å; W14-F342 AromaticContact CZ2-CD2 3.66Å; W14-F342 HydrophobicContact CZ2-CD2 3.66Å; W14-F342 HydrophobicContact CZ2-CE1 4.37Å; W14-F342 AromaticContact CZ2-CE2 3.56Å; W14-F342 HydrophobicContact CZ2-CE2 3.56Å; W14-F342 HydrophobicContact CZ2-CG 4.09Å; W14-F342 AromaticContact CZ2-CZ 3.96Å; W14-F342 HydrophobicContact CZ2-CZ 3.96Å; H322-F342 WeakPolarHBondContact CB-O 3.27Å; G323-F342 PolarHBondContact N-O 3.38Å; G323-F342 VanDerWaalsContact N-O 3.1Å; G323-F342 PolarHBondContact O-N 3.05Å; F342-N352 HydrophobicContact CE2-CB 4.2Å; F342-N352 VanDerWaalsContact CE2-O 3.26Å; F342-N352 WeakPolarHBondContact CE2-O 3.4Å; F342-N352 HydrophobicContact CZ-CB 4.06Å; F342-D353 WeakPolarHBondContact CA-O 3.2Å; F342-D353 WeakPolarHBondContact CD2-O 3.08Å; F342-M354 HydrophobicContact CD2-CB 4.18Å; F342-Y369 WeakPolarHBondContact CE2-OH 3.18Å; F342-P375 HydrophobicContact CE1-CB 4.48Å; F342-P375 HydrophobicContact CE1-CG 4.49Å; F342-P375 HydrophobicContact CZ-CB 3.94Å; F342-P375 HydrophobicContact CZ-CG 3.83Å; F342-R378 HydrophobicContact CE1-CG 4.31Å; F342-F381 HydrophobicContact CD1-CE1 4.32Å; F342-F381 AromaticContact CD1-CE2 3.98Å; F342-F381 HydrophobicContact CD1-CE2 3.98Å; F342-F381 AromaticContact CD1-CZ 3.59Å; F342-F381 HydrophobicContact CD1-CZ 3.59Å; F342-F381 HydrophobicContact CE1-CZ 4.21Å; F342-F381 WeakPolarHBondContact O-CZ 3.42Å; F342-I434 HydrophobicContact CD1-CD1 4.31Å; F342-I434 HydrophobicContact CE1-CD1 3.62Å; F342-I434 HydrophobicContact CZ-CD1 4.19Å
343G97.9Very high90.6Very high0 Ų041.4 Ų41.40%024%0.235CC..EExtended strand (participates in β ladder)trans61.9-148.5169.800000114.7R319 H322 L351 D353R319-G343 PolarHBondContact NH1-O 2.89Å; H322-G343 VanDerWaalsContact CB-O 3.23Å; H322-G343 WeakPolarHBondContact CB-O 3.49Å; G343-L351 WeakPolarHBondContact CA-O 3.48Å; G343-D353 PolarHBondContact N-O 2.86Å; G343-D353 VanDerWaalsContact N-O 3.09Å
344G98Very high92.4Very high0 Ų038.7 Ų38.70%021%0.205CC..EExtended strand (participates in β ladder)trans100.5-178.1-177.200000114.5A320 A350 L351 R378A320-G344 CarbonylContact O-C 3.59Å; A320-G344 VanDerWaalsContact O-CA 3.3Å; A320-G344 WeakPolarHBondContact O-CA 3.38Å; G344-A350 CarbonylContact O-C 3.58Å; G344-A350 WeakPolarHBondContact O-CA 3.5Å; G344-L351 PolarHBondContact O-N 3.4Å; G344-R378 WeakPolarHBondContact CA-O 3.27Å; G344-R378 PolarHBondContact N-O 3Å
345L97.9Very high94Very high42 Ų4232.8 Ų32.822%0.2218%0.178CC..EExtended strand (participates in β ladder)trans-87130.3176.2-179.362.3000110.5M249 R319 A320 L379 T440M249-L345 HydrophobicContact SD-CD2 4.48Å; R319-L345 WeakPolarHBondContact CA-O 3.31Å; R319-L345 WeakPolarHBondContact CB-O 3.28Å; A320-L345 PolarHBondContact N-O 3.47Å; A320-L345 VanDerWaalsContact N-O 3.13Å; A320-L345 PolarHBondContact O-N 2.82Å; L345-L379 HydrophobicContact CB-CB 4.43Å; L345-L379 HydrophobicContact CB-CD1 4.11Å; L345-T440 HydrophobicContact CD1-CG2 3.47Å; L345-T440 VanDerWaalsContact CD1-CG2 3.47Å
346S98.1Very high95.2Very high17 Ų1731.5 Ų31.512%0.11917%0.172CC..EExtended strand (participates in β ladder)trans-117.9173.7166.276.50000110.9L254 N348 G349L254-S346 VanDerWaalsContact CD1-C 3.44Å; S346-N348 PolarHBondContact O-N 3.48Å; S346-N348 VanDerWaalsContact O-N 3.17Å; S346-N348 PolarHBondContact OG-N 2.89Å; S346-N348 VanDerWaalsContact OG-N 3.1Å; S346-G349 WeakPolarHBondContact CB-O 3.26Å; S346-G349 PolarHBondContact N-O 2.86Å; S346-G349 PolarHBondContact O-N 2.9Å; S346-G349 PolarHBondContact OG-N 3.17Å; S346-G349 PolarHBondContact OG-O 2.87Å
347L96.3Very high96Very high144 Ų14429.9 Ų29.975%0.75416%0.162SC*.THydrogen-bonded Turntrans-57.6-26.2170.3-70.4172.9000113.1L254L254-L347 HydrophobicContact CD1-CD2 4.1Å; L254-L347 HydrophobicContact CD1-CG 3.98Å; L254-L347 VanDerWaalsContact CD1-N 3.33Å
348N96.7Very high96.1Very high165 Ų16530.9 Ų30.988%0.88217%0.168SC*.THydrogen-bonded Turntrans-98.65.4-176.4-64.9-36000113.5S346S346-N348 PolarHBondContact O-N 3.48Å; S346-N348 VanDerWaalsContact O-N 3.17Å; S346-N348 PolarHBondContact OG-N 2.89Å; S346-N348 VanDerWaalsContact OG-N 3.1Å
349G98Very high96.1Very high10 Ų1028.6 Ų28.610%0.10316%0.159CC..EExtended strand (participates in β ladder)trans118.6-169.7-176.900000113.3S346S346-G349 WeakPolarHBondContact CB-O 3.26Å; S346-G349 PolarHBondContact N-O 2.86Å; S346-G349 PolarHBondContact O-N 2.9Å; S346-G349 PolarHBondContact OG-N 3.17Å; S346-G349 PolarHBondContact OG-O 2.87Å
350A98.4Very high95.8Very high17 Ų1731.5 Ų31.514%0.1418%0.18CC..EExtended strand (participates in β ladder)trans-68.6152.5176.500000111.5G344 P377 L379 T440G344-A350 CarbonylContact O-C 3.58Å; G344-A350 WeakPolarHBondContact O-CA 3.5Å; A350-P377 VanDerWaalsContact C-CB 3.49Å; A350-P377 HydrophobicContact CB-CB 3.92Å; A350-P377 WeakPolarHBondContact O-CB 3.41Å; A350-L379 HydrophobicContact CB-CD2 3.76Å; A350-T440 HydrophobicContact CB-CG2 4.3Å
351L98.3Very high95.7Very high33 Ų3334.3 Ų34.317%0.17320%0.198CC..EExtended strand (participates in β ladder)trans-117156.5-176.9-59.2175.3000111.8R319 G343 G344 P377 R378R319-L351 HydrophobicContact CB-CD1 4.39Å; R319-L351 VanDerWaalsContact CZ-CD1 3.42Å; G343-L351 WeakPolarHBondContact CA-O 3.48Å; G344-L351 PolarHBondContact O-N 3.4Å; L351-P377 CarbonylContact O-C 3.58Å; L351-P377 VanDerWaalsContact O-CA 3.28Å; L351-P377 WeakPolarHBondContact O-CA 3.38Å; L351-R378 PolarHBondContact O-N 3.43Å
352N96.7Very high95.4Very high53 Ų5338.2 Ų38.228%0.28321%0.214SC..EExtended strand (participates in β ladder)trans-137.422.7167.962.4-10000112.5F342 Y369 P375 P377F342-N352 HydrophobicContact CE2-CB 4.2Å; F342-N352 VanDerWaalsContact CE2-O 3.26Å; F342-N352 WeakPolarHBondContact CE2-O 3.4Å; F342-N352 HydrophobicContact CZ-CB 4.06Å; N352-Y369 PolarHBondContact O-OH 2.91Å; N352-P375 WeakPolarHBondContact CB-O 3.36Å; N352-P375 PolarHBondContact ND2-O 3Å; N352-P377 HydrophobicContact CB-CB 4.44Å; N352-P377 HydrophobicContact CB-CG 4.33Å
353D95.8Very high95.2Very high28 Ų2840.6 Ų40.615%0.1523%0.226CC..EExtended strand (participates in β ladder)trans-76.3158.3172.358.10.9000110.7R319 F342 G343 F355R319-D353 IonicContact CZ-OD1 3.5Å; R319-D353 IonicContact CZ-OD2 2.84Å; R319-D353 IonicContact NH1-OD1 3.55Å; R319-D353 PolarHBondContact NH1-OD1 3.03Å; R319-D353 IonicContact NH1-OD2 2.72Å; R319-D353 IonicContact NH2-OD1 3.12Å; R319-D353 PolarHBondContact NH2-OD1 3.06Å; R319-D353 IonicContact NH2-OD2 3.58Å; R319-D353 PolarHBondContact NH2-OD2 3.44Å; F342-D353 WeakPolarHBondContact CA-O 3.2Å; F342-D353 WeakPolarHBondContact CD2-O 3.08Å; G343-D353 PolarHBondContact N-O 2.86Å; G343-D353 VanDerWaalsContact N-O 3.09Å; D353-F355 HydrophobicContact CB-CD2 4.3Å; D353-F355 HydrophobicContact CB-CE2 3.86Å; D353-F355 VanDerWaalsContact OD2-CE2 3.29Å; D353-F355 WeakPolarHBondContact OD2-CE2 3.34Å
354M94.9Very high95.1Very high5 Ų541 Ų413%0.02523%0.227CC..EExtended strand (participates in β ladder)trans-130.8134.5171.8-174.3164.878.900109.7I341 F342 I367 Y369 I451I341-M354 VanDerWaalsContact O-CA 3.26Å; I341-M354 WeakPolarHBondContact O-CA 3.26Å; I341-M354 WeakPolarHBondContact O-CG 3.29Å; F342-M354 HydrophobicContact CD2-CB 4.18Å; M354-I367 HydrophobicContact CB-CB 4.36Å; M354-I367 HydrophobicContact CE-CB 3.76Å; M354-I367 HydrophobicContact CE-CD1 3.58Å; M354-I367 HydrophobicContact CE-CG1 4.25Å; M354-I367 HydrophobicContact CE-CG2 3.48Å; M354-I367 VanDerWaalsContact CE-CG2 3.48Å; M354-I367 HydrophobicContact CG-CB 4.39Å; M354-I367 HydrophobicContact CG-CD1 4.2Å; M354-I367 PolarHBondContact O-N 3.44Å; M354-Y369 HydrophobicContact CB-CE1 4.13Å; M354-Y369 WeakPolarHBondContact CB-OH 3.37Å; M354-Y369 HydrophobicContact CE-CE1 3.9Å; M354-Y369 PolarHBondContact N-OH 3.41Å; M354-I451 HydrophobicContact CE-CD1 3.92Å
355F95.8Very high94.9Very high10 Ų1045 Ų454%0.04425%0.252CS..EExtended strand (participates in β ladder)trans-127.9147.5179.9-76.7-98.3000110.1P314 S315 P316 L340 I341 D353 W364 T365 E366P314-F355 HydrophobicContact CB-CE1 4.14Å; S315-F355 VanDerWaalsContact C-CE1 3.49Å; P316-F355 HydrophobicContact CB-CB 4.34Å; P316-F355 HydrophobicContact CB-CD1 4.2Å; P316-F355 HydrophobicContact CB-CD2 3.83Å; P316-F355 HydrophobicContact CB-CE1 4.46Å; P316-F355 HydrophobicContact CB-CE2 4.13Å; P316-F355 HydrophobicContact CB-CG 3.87Å; P316-F355 HydrophobicContact CB-CZ 4.44Å; P316-F355 HydrophobicContact CG-CB 4.4Å; P316-F355 HydrophobicContact CG-CD1 4.38Å; P316-F355 HydrophobicContact CG-CG 4.26Å; L340-F355 WeakPolarHBondContact CA-O 3.49Å; I341-F355 HydrophobicContact CD1-CB 4.16Å; I341-F355 HydrophobicContact CG1-CB 3.8Å; I341-F355 PolarHBondContact N-O 2.62Å; I341-F355 PolarHBondContact O-N 2.7Å; D353-F355 HydrophobicContact CB-CD2 4.3Å; D353-F355 HydrophobicContact CB-CE2 3.86Å; D353-F355 VanDerWaalsContact OD2-CE2 3.29Å; D353-F355 WeakPolarHBondContact OD2-CE2 3.34Å; F355-W364 HydrophobicContact CB-CE3 3.6Å; F355-W364 HydrophobicContact CB-CZ3 3.59Å; F355-W364 HydrophobicContact CD1-CE3 4.46Å; F355-W364 HydrophobicContact CG-CE3 4.47Å; F355-T365 WeakPolarHBondContact CA-O 3.33Å; F355-E366 HydrophobicContact CD1-CB 3.98Å; F355-E366 HydrophobicContact CD1-CG 4.35Å; F355-E366 HydrophobicContact CE1-CB 3.61Å; F355-E366 HydrophobicContact CE1-CG 3.9Å; F355-E366 HydrophobicContact CE2-CG 4.09Å; F355-E366 HydrophobicContact CZ-CB 4Å; F355-E366 HydrophobicContact CZ-CG 3.76Å
356C94.1Very high94.7Very high22 Ų2245.6 Ų45.615%0.14925%0.254CS..EExtended strand (participates in β ladder)trans-117.4120.6174.8177.50000109.5I339 L340 W364 T365 I367I339-C356 CarbonylContact O-C 3.56Å; I339-C356 WeakPolarHBondContact O-CA 3.42Å; L340-C356 HydrophobicContact CD2-CB 3.7Å; C356-W364 CarbonylContact O-C 3.44Å; C356-W364 WeakPolarHBondContact O-CA 3.39Å; C356-T365 PolarHBondContact N-O 3.1Å; C356-T365 PolarHBondContact O-N 2.84Å; C356-I367 HydrophobicContact CB-CD1 3.92Å; C356-I367 HydrophobicContact CB-CG1 4.24Å
357F94.9Very high94.3Very high0 Ų047 Ų470%026%0.259CS..EExtended strand (participates in β ladder)trans-97.9122.7169.6-176.8-107.4000109.5I258 L280 P282 K338 I339 T359 K362 Q363 W364I258-F357 HydrophobicContact CD1-CD1 3.94Å; I258-F357 HydrophobicContact CD1-CD2 3.76Å; I258-F357 HydrophobicContact CD1-CE1 3.89Å; I258-F357 HydrophobicContact CD1-CE2 3.71Å; I258-F357 HydrophobicContact CD1-CG 3.86Å; I258-F357 HydrophobicContact CD1-CZ 3.77Å; L280-F357 HydrophobicContact CD1-CE1 4.4Å; P282-F357 HydrophobicContact CB-CE2 4.39Å; P282-F357 HydrophobicContact CG-CE2 4.25Å; K338-F357 CarbonylContact C-O 3.6Å; K338-F357 WeakPolarHBondContact CA-O 3.49Å; I339-F357 HydrophobicContact CB-CB 4.23Å; I339-F357 HydrophobicContact CD1-CD1 4.34Å; I339-F357 PolarHBondContact N-O 2.62Å; I339-F357 PolarHBondContact O-N 2.74Å; F357-T359 HydrophobicContact CD1-CG2 4.21Å; F357-T359 HydrophobicContact CE1-CG2 4.39Å; F357-K362 VanDerWaalsContact CE2-C 3.42Å; F357-K362 HydrophobicContact CE2-CB 4.2Å; F357-K362 WeakPolarHBondContact CE2-O 3.47Å; F357-K362 HydrophobicContact CZ-CB 3.89Å; F357-K362 HydrophobicContact CZ-CG 4.23Å; F357-Q363 WeakPolarHBondContact CA-O 3.13Å; F357-W364 HydrophobicContact CB-CD2 3.78Å; F357-W364 HydrophobicContact CB-CE3 3.55Å; F357-W364 HydrophobicContact CB-CH2 3.61Å; F357-W364 HydrophobicContact CB-CZ2 3.82Å; F357-W364 HydrophobicContact CB-CZ3 3.47Å; F357-W364 VanDerWaalsContact CB-CZ3 3.47Å; F357-W364 AromaticContact CD2-CD1 3.93Å; F357-W364 AromaticContact CD2-CD2 3.81Å; F357-W364 HydrophobicContact CD2-CD2 3.81Å; F357-W364 AromaticContact CD2-CE2 3.66Å; F357-W364 HydrophobicContact CD2-CE3 4.45Å; F357-W364 HydrophobicContact CD2-CG 4.01Å; F357-W364 HydrophobicContact CD2-CZ2 4.21Å; F357-W364 AromaticContact CD2-NE1 3.7Å; F357-W364 HydrophobicContact CG-CD2 4.27Å; F357-W364 HydrophobicContact CG-CH2 4.48Å; F357-W364 HydrophobicContact CG-CZ2 4.24Å; F357-W364 VanDerWaalsContact N-CE3 3.34Å
358D92.2Very high93.9Very high22 Ų2247 Ų4712%0.11825%0.253CS..EExtended strand (participates in β ladder)trans-83.6114.2170.2-178.5-23.4000109.8K338 S360 T361 K362 Q363K338-D358 HydrophobicContact CD-CB 4.04Å; K338-D358 IonicContact NZ-OD1 3.22Å; K338-D358 IonicContact NZ-OD2 2.7Å; K338-D358 PolarHBondContact NZ-OD2 2.9Å; D358-S360 PolarHBondContact O-N 2.75Å; D358-S360 WeakPolarHBondContact OD1-CA 3.49Å; D358-S360 VanDerWaalsContact OD1-CB 3.3Å; D358-S360 WeakPolarHBondContact OD1-CB 3.21Å; D358-S360 PolarHBondContact OD1-N 3.36Å; D358-S360 PolarHBondContact OD1-OG 3.06Å; D358-T361 WeakPolarHBondContact CB-OG1 3.49Å; D358-T361 PolarHBondContact OD1-N 2.51Å; D358-T361 VanDerWaalsContact OD1-N 3.12Å; D358-T361 PolarHBondContact OD2-OG1 2.79Å; D358-T361 VanDerWaalsContact OD2-OG1 3.05Å; D358-K362 WeakPolarHBondContact O-CA 3.2Å; D358-K362 PolarHBondContact O-N 2.93Å; D358-Q363 PolarHBondContact N-O 3.49Å
359T91.2Very high93Very high15 Ų1541.4 Ų41.49%0.09222%0.22CC..THydrogen-bonded Turntrans-67.8-22.3-177.662.50000113.2Y244 S337 I339 F357Y244-T359 HydrophobicContact CE1-CG2 4.09Å; S337-T359 WeakPolarHBondContact O-CG2 3.36Å; S337-T359 PolarHBondContact O-N 3.27Å; S337-T359 VanDerWaalsContact O-N 3.08Å; S337-T359 PolarHBondContact O-OG1 3.09Å; I339-T359 HydrophobicContact CD1-CG2 4.05Å; I339-T359 HydrophobicContact CG1-CG2 4.25Å; F357-T359 HydrophobicContact CD1-CG2 4.21Å; F357-T359 HydrophobicContact CE1-CG2 4.39Å
360S89.4Confident91.7Very high67 Ų6749.6 Ų49.647%0.46926%0.255SS..THydrogen-bonded Turntrans-82.3-47.8-178.876.20000111.9D335 D358D335-S360 VanDerWaalsContact O-CB 3.26Å; D335-S360 WeakPolarHBondContact O-CB 3.36Å; D358-S360 PolarHBondContact O-N 2.75Å; D358-S360 WeakPolarHBondContact OD1-CA 3.49Å; D358-S360 VanDerWaalsContact OD1-CB 3.3Å; D358-S360 WeakPolarHBondContact OD1-CB 3.21Å; D358-S360 PolarHBondContact OD1-N 3.36Å; D358-S360 PolarHBondContact OD1-OG 3.06Å
361T90.7Very high90.5Very high69 Ų6950.5 Ų50.542%0.42326%0.259SS..THydrogen-bonded Turntrans-88.8-15-179.962.20000112.4T283 D358 Q363T283-T361 PolarHBondContact OG1-O 3.22Å; D358-T361 WeakPolarHBondContact CB-OG1 3.49Å; D358-T361 PolarHBondContact OD1-N 2.51Å; D358-T361 VanDerWaalsContact OD1-N 3.12Å; D358-T361 PolarHBondContact OD2-OG1 2.79Å; D358-T361 VanDerWaalsContact OD2-OG1 3.05Å; T361-Q363 PolarHBondContact O-N 3.32Å
362K91.9Very high89.5Confident82 Ų8254.9 Ų54.936%0.35729%0.293SS..THydrogen-bonded Turntrans57.535.1-174.2-55.8178.4-176.4176.20112.8P282 T283 F357 D358P282-K362 CarbonylContact C-O 3.51Å; P282-K362 WeakPolarHBondContact CA-O 3.4Å; T283-K362 PolarHBondContact N-O 3.02Å; T283-K362 PolarHBondContact OG1-O 2.99Å; F357-K362 VanDerWaalsContact CE2-C 3.42Å; F357-K362 HydrophobicContact CE2-CB 4.2Å; F357-K362 WeakPolarHBondContact CE2-O 3.47Å; F357-K362 HydrophobicContact CZ-CB 3.89Å; F357-K362 HydrophobicContact CZ-CG 4.23Å; D358-K362 WeakPolarHBondContact O-CA 3.2Å; D358-K362 PolarHBondContact O-N 2.93Å
363Q92.9Very high89Confident52 Ų5255.1 Ų55.124%0.24330%0.296CS..EExtended strand (participates in β ladder)trans-111.6140.3179.4-62-62.340.900112.1T283 D284 F357 D358 T361T283-Q363 WeakPolarHBondContact OG1-CG 3.38Å; T283-Q363 PolarHBondContact OG1-NE2 2.83Å; T283-Q363 PolarHBondContact OG1-OE1 2.85Å; D284-Q363 PolarHBondContact OD1-NE2 3.1Å; D284-Q363 PolarHBondContact OD1-OE1 2.84Å; D284-Q363 PolarHBondContact OD2-OE1 2.75Å; F357-Q363 WeakPolarHBondContact CA-O 3.13Å; D358-Q363 PolarHBondContact N-O 3.49Å; T361-Q363 PolarHBondContact O-N 3.32Å
364W95.2Very high88.7Confident8 Ų856.9 Ų56.93%0.0331%0.305CS..EExtended strand (participates in β ladder)trans-86146168.6-76.7111.1000110.6H246 I258 P314 P316 I341 F355 C356 F357H246-W364 AromaticContact NE2-CZ2 3.94Å; I258-W364 HydrophobicContact CD1-CZ2 3.63Å; I258-W364 HydrophobicContact CG1-CZ2 4.33Å; P314-W364 WeakPolarHBondContact O-CB 3.36Å; P316-W364 VanDerWaalsContact CD-CG 3.43Å; P316-W364 HydrophobicContact CG-CD2 3.75Å; P316-W364 HydrophobicContact CG-CE3 4.04Å; P316-W364 HydrophobicContact CG-CG 4.3Å; P316-W364 HydrophobicContact CG-CH2 3.96Å; P316-W364 HydrophobicContact CG-CZ2 3.64Å; P316-W364 HydrophobicContact CG-CZ3 4.14Å; I341-W364 HydrophobicContact CD1-CH2 3.64Å; I341-W364 HydrophobicContact CD1-CZ2 4.43Å; I341-W364 HydrophobicContact CD1-CZ3 3.96Å; I341-W364 HydrophobicContact CG1-CH2 4.01Å; I341-W364 HydrophobicContact CG1-CZ3 3.98Å; I341-W364 HydrophobicContact CG2-CH2 4.23Å; F355-W364 HydrophobicContact CB-CE3 3.6Å; F355-W364 HydrophobicContact CB-CZ3 3.59Å; F355-W364 HydrophobicContact CD1-CE3 4.46Å; F355-W364 HydrophobicContact CG-CE3 4.47Å; C356-W364 CarbonylContact O-C 3.44Å; C356-W364 WeakPolarHBondContact O-CA 3.39Å; F357-W364 HydrophobicContact CB-CD2 3.78Å; F357-W364 HydrophobicContact CB-CE3 3.55Å; F357-W364 HydrophobicContact CB-CH2 3.61Å; F357-W364 HydrophobicContact CB-CZ2 3.82Å; F357-W364 HydrophobicContact CB-CZ3 3.47Å; F357-W364 VanDerWaalsContact CB-CZ3 3.47Å; F357-W364 AromaticContact CD2-CD1 3.93Å; F357-W364 AromaticContact CD2-CD2 3.81Å; F357-W364 HydrophobicContact CD2-CD2 3.81Å; F357-W364 AromaticContact CD2-CE2 3.66Å; F357-W364 HydrophobicContact CD2-CE3 4.45Å; F357-W364 HydrophobicContact CD2-CG 4.01Å; F357-W364 HydrophobicContact CD2-CZ2 4.21Å; F357-W364 AromaticContact CD2-NE1 3.7Å; F357-W364 HydrophobicContact CG-CD2 4.27Å; F357-W364 HydrophobicContact CG-CH2 4.48Å; F357-W364 HydrophobicContact CG-CZ2 4.24Å; F357-W364 VanDerWaalsContact N-CE3 3.34Å
365T93.2Very high88.8Confident84 Ų8456.7 Ų56.752%0.51530%0.304SS..EExtended strand (participates in β ladder)trans-137.4126.3168.6-61.10000108F355 C356F355-T365 WeakPolarHBondContact CA-O 3.33Å; C356-T365 PolarHBondContact N-O 3.1Å; C356-T365 PolarHBondContact O-N 2.84Å
366E94Very high88.8Confident55 Ų5558.7 Ų58.726%0.25732%0.319SS..EExtended strand (participates in β ladder)trans-73.5130.2171.9-168.4-178.5174.900109.9P314 F355 K368P314-E366 HydrophobicContact CB-CB 3.93Å; P314-E366 HydrophobicContact CG-CB 3.85Å; F355-E366 HydrophobicContact CD1-CB 3.98Å; F355-E366 HydrophobicContact CD1-CG 4.35Å; F355-E366 HydrophobicContact CE1-CB 3.61Å; F355-E366 HydrophobicContact CE1-CG 3.9Å; F355-E366 HydrophobicContact CE2-CG 4.09Å; F355-E366 HydrophobicContact CZ-CB 4Å; F355-E366 HydrophobicContact CZ-CG 3.76Å; E366-K368 HydrophobicContact CG-CD 4.35Å; E366-K368 WeakPolarHBondContact OE1-CE 3.41Å; E366-K368 IonicContact OE1-NZ 2.63Å; E366-K368 PolarHBondContact OE1-NZ 3.44Å; E366-K368 WeakPolarHBondContact OE2-CE 3.42Å; E366-K368 IonicContact OE2-NZ 2.77Å; E366-K368 PolarHBondContact OE2-NZ 2.85Å
367I90.8Very high89Confident46 Ų4660 Ų6024%0.23633%0.328CS..  trans-91.2111.8175.2-59.5178.4000108.1L340 M354 C356L340-I367 HydrophobicContact CD2-CD1 3.43Å; L340-I367 VanDerWaalsContact CD2-CD1 3.43Å; M354-I367 HydrophobicContact CB-CB 4.36Å; M354-I367 HydrophobicContact CE-CB 3.76Å; M354-I367 HydrophobicContact CE-CD1 3.58Å; M354-I367 HydrophobicContact CE-CG1 4.25Å; M354-I367 HydrophobicContact CE-CG2 3.48Å; M354-I367 VanDerWaalsContact CE-CG2 3.48Å; M354-I367 HydrophobicContact CG-CB 4.39Å; M354-I367 HydrophobicContact CG-CD1 4.2Å; M354-I367 PolarHBondContact O-N 3.44Å; C356-I367 HydrophobicContact CB-CD1 3.92Å; C356-I367 HydrophobicContact CB-CG1 4.24Å
368K86.2Confident89.2Confident144 Ų14460 Ų6063%0.62633%0.328SS*.  trans-87.2143.2174.1-60.4-62.2-174.3-179.50110.3E366E366-K368 HydrophobicContact CG-CD 4.35Å; E366-K368 WeakPolarHBondContact OE1-CE 3.41Å; E366-K368 IonicContact OE1-NZ 2.63Å; E366-K368 PolarHBondContact OE1-NZ 3.44Å; E366-K368 WeakPolarHBondContact OE2-CE 3.42Å; E366-K368 IonicContact OE2-NZ 2.77Å; E366-K368 PolarHBondContact OE2-NZ 2.85Å
369Y78.6Confident89.5Confident48 Ų4859.6 Ų59.619%0.18833%0.325CS..  trans-102.4142.3-177.8-42.2-72.9000111.6W14 F342 N352 M354 L374 I451W14-Y369 AromaticContact CD1-CD1 3.58Å; W14-Y369 AromaticContact CD1-CE1 3.52Å; W14-Y369 AromaticContact CD1-CZ 3.91Å; W14-Y369 AromaticContact NE1-CD1 3.64Å; W14-Y369 AromaticContact NE1-CE1 3.05Å; W14-Y369 AromaticContact NE1-CZ 3.25Å; W14-Y369 VanDerWaalsContact NE1-CZ 3.25Å; W14-Y369 PolarHBondContact NE1-OH 3.35Å; F342-Y369 WeakPolarHBondContact CE2-OH 3.18Å; N352-Y369 PolarHBondContact O-OH 2.91Å; M354-Y369 HydrophobicContact CB-CE1 4.13Å; M354-Y369 WeakPolarHBondContact CB-OH 3.37Å; M354-Y369 HydrophobicContact CE-CE1 3.9Å; M354-Y369 PolarHBondContact N-OH 3.41Å; Y369-L374 HydrophobicContact CD1-CD2 4.47Å; Y369-L374 HydrophobicContact CD2-CD1 4.3Å; Y369-L374 HydrophobicContact CD2-CD2 3.44Å; Y369-L374 VanDerWaalsContact CD2-CD2 3.44Å; Y369-L374 HydrophobicContact CE2-CD2 4.03Å; Y369-L374 HydrophobicContact CG-CD2 3.67Å; Y369-I451 HydrophobicContact CD1-CD1 4.17Å; Y369-I451 HydrophobicContact CE1-CD1 4.07Å
370E71.5Confident89.7Confident181 Ų18160 Ų6085%0.84633%0.327SS*.  trans-102.445.4174.2-64.1-176.1-178.600111.2
371T73.4Confident90.1Very high36 Ų3656.9 Ų56.922%0.22131%0.305CS..  trans-140.7147.3-1771790000112.6W14 V373 L374W14-T371 HydrophobicContact CB-CG2 4.24Å; T371-V373 VanDerWaalsContact C-N 3.32Å; T371-V373 WeakPolarHBondContact CG2-O 3.4Å; T371-V373 PolarHBondContact OG1-N 2.99Å; T371-V373 PolarHBondContact OG1-O 2.84Å; T371-L374 HydrophobicContact CG2-CD2 3.8Å; T371-L374 HydrophobicContact CG2-CG 4.45Å
372S76.8Confident90.4Very high126 Ų12653.8 Ų53.888%0.88129%0.286SS*.SBendtrans-82.5-11.4169.965.10000113
373V85.6Confident90.7Very high57 Ų5751.8 Ų51.835%0.34528%0.277SS..  trans-99.8106.5178.3-179.60000107.4W14 K16 T371 Y449W14-V373 VanDerWaalsContact CB-O 3.3Å; W14-V373 WeakPolarHBondContact CB-O 3.14Å; K16-V373 HydrophobicContact CB-CG1 3.87Å; T371-V373 VanDerWaalsContact C-N 3.32Å; T371-V373 WeakPolarHBondContact CG2-O 3.4Å; T371-V373 PolarHBondContact OG1-N 2.99Å; T371-V373 PolarHBondContact OG1-O 2.84Å; V373-Y449 HydrophobicContact CG1-CD1 4.48Å; V373-Y449 HydrophobicContact CG1-CE1 4.1Å
374L90.5Very high90.8Very high66 Ų6649.8 Ų49.835%0.34627%0.268SS..  trans-127.7146.4176.6-66.6173.5000109.4W14 Y369 T371 S376W14-L374 HydrophobicContact CB-CD2 4.42Å; W14-L374 VanDerWaalsContact CD1-CD2 3.49Å; W14-L374 HydrophobicContact CG-CD2 4.25Å; Y369-L374 HydrophobicContact CD1-CD2 4.47Å; Y369-L374 HydrophobicContact CD2-CD1 4.3Å; Y369-L374 HydrophobicContact CD2-CD2 3.44Å; Y369-L374 VanDerWaalsContact CD2-CD2 3.44Å; Y369-L374 HydrophobicContact CE2-CD2 4.03Å; Y369-L374 HydrophobicContact CG-CD2 3.67Å; T371-L374 HydrophobicContact CG2-CD2 3.8Å; T371-L374 HydrophobicContact CG2-CG 4.45Å; L374-S376 PolarHBondContact O-N 3.16Å
375P95.3Very high90.6Very high1 Ų152.1 Ų52.11%0.00628%0.283CS..PPolyproline II helixtrans-59.7136.4165.7-13.525.8000109.6W14 F342 N352 I434 Y449W14-P375 HydrophobicContact CD2-CG 3.77Å; W14-P375 HydrophobicContact CE3-CG 3.92Å; W14-P375 HydrophobicContact CG-CG 4.23Å; W14-P375 HydrophobicContact CH2-CG 4.42Å; W14-P375 HydrophobicContact CZ2-CG 4.32Å; W14-P375 HydrophobicContact CZ3-CG 4.23Å; F342-P375 HydrophobicContact CE1-CB 4.48Å; F342-P375 HydrophobicContact CE1-CG 4.49Å; F342-P375 HydrophobicContact CZ-CB 3.94Å; F342-P375 HydrophobicContact CZ-CG 3.83Å; N352-P375 WeakPolarHBondContact CB-O 3.36Å; N352-P375 PolarHBondContact ND2-O 3Å; P375-I434 HydrophobicContact CB-CD1 3.78Å; P375-I434 HydrophobicContact CG-CD1 3.58Å; P375-Y449 HydrophobicContact CB-CD2 3.81Å; P375-Y449 HydrophobicContact CB-CE2 3.83Å; P375-Y449 HydrophobicContact CB-CG 4.21Å; P375-Y449 HydrophobicContact CG-CD1 3.99Å; P375-Y449 HydrophobicContact CG-CD2 3.82Å; P375-Y449 HydrophobicContact CG-CE1 4.42Å; P375-Y449 HydrophobicContact CG-CE2 4.25Å; P375-Y449 HydrophobicContact CG-CG 3.72Å
376S96.9Very high90.4Very high51 Ų5148.8 Ų48.836%0.35726%0.262SS..PPolyproline II helixtrans-54.3149.2166.7-58.80000110.5L374 R378L374-S376 PolarHBondContact O-N 3.16Å; S376-R378 PolarHBondContact O-N 3.4Å; S376-R378 PolarHBondContact O-NE 3.14Å
377P98.3Very high90.1Very high50 Ų5048.1 Ų48.133%0.32526%0.263SS..SBendtrans-51.5128.9172.8-22.731.8000111.8A350 L351 N352A350-P377 VanDerWaalsContact C-CB 3.49Å; A350-P377 HydrophobicContact CB-CB 3.92Å; A350-P377 WeakPolarHBondContact O-CB 3.41Å; L351-P377 CarbonylContact O-C 3.58Å; L351-P377 VanDerWaalsContact O-CA 3.28Å; L351-P377 WeakPolarHBondContact O-CA 3.38Å; N352-P377 HydrophobicContact CB-CB 4.44Å; N352-P377 HydrophobicContact CB-CG 4.33Å
378R98.4Very high89.8Confident0 Ų046.2 Ų46.20%025%0.254CS..  trans-152153-169.762.3-17568.4-153.4-0.6114.3F342 G344 L351 S376 F381 G436 M438 F445 D447F342-R378 HydrophobicContact CE1-CG 4.31Å; G344-R378 WeakPolarHBondContact CA-O 3.27Å; G344-R378 PolarHBondContact N-O 3Å; L351-R378 PolarHBondContact O-N 3.43Å; S376-R378 PolarHBondContact O-N 3.4Å; S376-R378 PolarHBondContact O-NE 3.14Å; R378-F381 HydrophobicContact CB-CD1 4.28Å; R378-F381 HydrophobicContact CG-CD1 3.59Å; R378-F381 HydrophobicContact CG-CE1 3.98Å; R378-F381 HydrophobicContact CG-CG 4.19Å; R378-G436 WeakPolarHBondContact CD-O 3.47Å; R378-G436 PolarHBondContact NH1-O 3.48Å; R378-M438 CarbonylContact C-O 3.5Å; R378-M438 WeakPolarHBondContact CA-O 3.36Å; R378-F445 HydrophobicContact CB-CD2 4.08Å; R378-F445 HydrophobicContact CB-CE2 3.89Å; R378-D447 IonicContact CZ-OD1 3.97Å; R378-D447 VanDerWaalsContact CZ-OD1 3.31Å; R378-D447 IonicContact NH1-OD1 3.59Å; R378-D447 PolarHBondContact NH1-OD1 3.14Å; R378-D447 IonicContact NH2-OD1 3.34Å; R378-D447 PolarHBondContact NH2-OD1 2.74Å; R378-D447 IonicContact NH2-OD2 3.36Å; R378-D447 PolarHBondContact NH2-OD2 2.93Å
379L98Very high89.7Confident13 Ų1341 Ų417%0.06823%0.232CC..BIsolated β-bridgetrans-131.2166.7170.161.9148.2000110A321 L345 A350 F381 G437 M438 T440A321-L379 HydrophobicContact CB-CB 3.93Å; A321-L379 HydrophobicContact CB-CD1 4.34Å; A321-L379 WeakPolarHBondContact O-CA 3.27Å; L345-L379 HydrophobicContact CB-CB 4.43Å; L345-L379 HydrophobicContact CB-CD1 4.11Å; A350-L379 HydrophobicContact CB-CD2 3.76Å; L379-F381 PolarHBondContact O-N 2.86Å; L379-F381 VanDerWaalsContact O-N 3.09Å; L379-G437 CarbonylContact O-C 3.48Å; L379-G437 WeakPolarHBondContact O-CA 3.35Å; L379-M438 HydrophobicContact CD2-CG 4.29Å; L379-M438 WeakPolarHBondContact CD2-O 3.22Å; L379-M438 HydrophobicContact CG-CG 4.09Å; L379-M438 PolarHBondContact N-O 3.4Å; L379-M438 PolarHBondContact O-N 3.03Å; L379-T440 HydrophobicContact CD2-CG2 4.17Å
380D97.3Very high89.9Confident23 Ų2338.8 Ų38.812%0.12322%0.224CC..SBendtrans5528.1177.1-60.8-47.9000114.8V30 G31 N165 A321V30-D380 CarbonylContact C-O 3.52Å; V30-D380 WeakPolarHBondContact CA-O 3.41Å; V30-D380 HydrophobicContact CB-CB 3.93Å; V30-D380 HydrophobicContact CG1-CB 4.35Å; G31-D380 PolarHBondContact N-O 2.87Å; N165-D380 PolarHBondContact ND2-OD1 2.82Å; A321-D380 WeakPolarHBondContact CB-OD1 3.3Å; A321-D380 PolarHBondContact O-N 3.09Å; A321-D380 VanDerWaalsContact O-N 3.13Å
381F97.8Very high90.5Very high3 Ų333.9 Ų33.91%0.01320%0.2CC..  trans-84.7154174.558.6-86.8000110.9G323 F342 R378 L379 Y383 I434 H435 G436G323-F381 VanDerWaalsContact N-CZ 3.31Å; F342-F381 HydrophobicContact CD1-CE1 4.32Å; F342-F381 AromaticContact CD1-CE2 3.98Å; F342-F381 HydrophobicContact CD1-CE2 3.98Å; F342-F381 AromaticContact CD1-CZ 3.59Å; F342-F381 HydrophobicContact CD1-CZ 3.59Å; F342-F381 HydrophobicContact CE1-CZ 4.21Å; F342-F381 WeakPolarHBondContact O-CZ 3.42Å; R378-F381 HydrophobicContact CB-CD1 4.28Å; R378-F381 HydrophobicContact CG-CD1 3.59Å; R378-F381 HydrophobicContact CG-CE1 3.98Å; R378-F381 HydrophobicContact CG-CG 4.19Å; L379-F381 PolarHBondContact O-N 2.86Å; L379-F381 VanDerWaalsContact O-N 3.09Å; F381-Y383 HydrophobicContact CD2-CD1 4.13Å; F381-Y383 AromaticContact CE2-CD1 3.89Å; F381-Y383 HydrophobicContact CE2-CD1 3.89Å; F381-Y383 HydrophobicContact CE2-CG 4.43Å; F381-I434 HydrophobicContact CD2-CB 4.04Å; F381-I434 HydrophobicContact CD2-CG2 4.09Å; F381-I434 HydrophobicContact CE2-CB 4.39Å; F381-I434 HydrophobicContact CE2-CG2 3.94Å; F381-H435 WeakPolarHBondContact CB-O 3.34Å; F381-G436 WeakPolarHBondContact CB-O 3.3Å
382A97.1Very high90.9Very high3 Ų334.8 Ų34.83%0.02520%0.2CC..EExtended strand (participates in β ladder)trans-84.9150.417000000110.6H32 T34 I434 H435H32-A382 WeakPolarHBondContact CD2-CB 3.32Å; H32-A382 PolarHBondContact CE1-N 3.09Å; H32-A382 WeakPolarHBondContact NE2-CB 3.24Å; H32-A382 WeakPolarHBondContact O-CB 3.41Å; T34-A382 HydrophobicContact CG2-CB 3.59Å; A382-I434 CarbonylContact O-C 3.39Å; A382-I434 VanDerWaalsContact O-CA 3.26Å; A382-I434 WeakPolarHBondContact O-CA 3.23Å; A382-H435 PolarHBondContact N-O 2.93Å; A382-H435 PolarHBondContact O-N 3.5Å
383Y96.3Very high90.8Very high41 Ų4131.1 Ų31.116%0.16117%0.171CC..EExtended strand (participates in β ladder)trans-149.4158.3173.859.5-85.1000111.1T34 S166 L221 G324 F381 L432 F433T34-Y383 WeakPolarHBondContact OG1-CA 3.46Å; T34-Y383 PolarHBondContact OG1-N 3.36Å; T34-Y383 PolarHBondContact OG1-O 3.43Å; S166-Y383 WeakPolarHBondContact CB-OH 3.01Å; S166-Y383 WeakPolarHBondContact OG-CE1 3.21Å; S166-Y383 PolarHBondContact OG-OH 3.36Å; L221-Y383 WeakPolarHBondContact CD1-OH 3.32Å; G324-Y383 WeakPolarHBondContact O-CD2 3.42Å; G324-Y383 WeakPolarHBondContact O-CE2 3.02Å; F381-Y383 HydrophobicContact CD2-CD1 4.13Å; F381-Y383 AromaticContact CE2-CD1 3.89Å; F381-Y383 HydrophobicContact CE2-CD1 3.89Å; F381-Y383 HydrophobicContact CE2-CG 4.43Å; Y383-L432 HydrophobicContact CD2-CD1 4.42Å; Y383-F433 CarbonylContact C-O 3.58Å; Y383-F433 WeakPolarHBondContact CA-O 3.2Å; Y383-F433 WeakPolarHBondContact CB-O 3.49Å
384C94.8Very high90Very high10 Ų1033.7 Ų33.77%0.06819%0.187CC..EExtended strand (participates in β ladder)trans-154.9162.3166.659.10000109.8T34 F433T34-C384 WeakPolarHBondContact O-CB 3.41Å; C384-F433 PolarHBondContact N-O 2.72Å; C384-F433 VanDerWaalsContact N-O 3.09Å; C384-F433 PolarHBondContact O-N 2.83Å
385T92.3Very high88.9Confident56 Ų5639.9 Ų39.934%0.34421%0.211SC..EExtended strand (participates in β ladder)trans-106.9146.9169.248.60000111.5A36 T325 Y431 L432 L453A36-T385 WeakPolarHBondContact CB-O 3.45Å; T325-T385 HydrophobicContact CG2-CG2 3.73Å; T325-T385 VanDerWaalsContact OG1-CG2 3.31Å; T325-T385 WeakPolarHBondContact OG1-CG2 3.47Å; T385-Y431 WeakPolarHBondContact CA-O 3.21Å; T385-Y431 WeakPolarHBondContact CB-O 3.15Å; T385-L432 HydrophobicContact CG2-CD1 4.17Å; T385-L453 HydrophobicContact CG2-CD1 4.21Å
386F89.2Confident87.4Confident14 Ų1446 Ų466%0.06124%0.239CC..EExtended strand (participates in β ladder)trans-145.2158.3172.463.3-88.2000110.7A36 I50 I70 L388 Y431 F433 L450A36-F386 HydrophobicContact CB-CB 3.59Å; I50-F386 HydrophobicContact CD1-CD1 4.08Å; I50-F386 HydrophobicContact CD1-CE1 3.94Å; I70-F386 HydrophobicContact CD1-CD1 4.12Å; I70-F386 HydrophobicContact CD1-CD2 3.78Å; I70-F386 HydrophobicContact CD1-CE1 4.14Å; I70-F386 HydrophobicContact CD1-CE2 3.82Å; I70-F386 HydrophobicContact CD1-CG 3.93Å; I70-F386 HydrophobicContact CD1-CZ 3.99Å; I70-F386 HydrophobicContact CG1-CZ 4.46Å; I70-F386 HydrophobicContact CG2-CE2 3.85Å; I70-F386 HydrophobicContact CG2-CZ 4Å; F386-L388 HydrophobicContact CD2-CD2 3.99Å; F386-L388 HydrophobicContact CD2-CG 3.91Å; F386-L388 HydrophobicContact CE2-CD1 3.86Å; F386-L388 HydrophobicContact CE2-CD2 4.04Å; F386-L388 HydrophobicContact CE2-CG 3.72Å; F386-Y431 HydrophobicContact CD2-CD2 4.31Å; F386-Y431 AromaticContact CE2-CD2 3.74Å; F386-Y431 HydrophobicContact CE2-CD2 3.74Å; F386-Y431 AromaticContact CE2-CG 3.92Å; F386-Y431 HydrophobicContact CE2-CG 3.92Å; F386-Y431 VanDerWaalsContact CZ-CB 3.48Å; F386-Y431 HydrophobicContact CZ-CD2 4.21Å; F386-Y431 AromaticContact CZ-CG 3.91Å; F386-Y431 HydrophobicContact CZ-CG 3.91Å; F386-Y431 PolarHBondContact N-O 2.92Å; F386-Y431 VanDerWaalsContact N-O 3.1Å; F386-Y431 PolarHBondContact O-N 2.86Å; F386-F433 HydrophobicContact CE1-CB 4.11Å; F386-L450 HydrophobicContact CE1-CD2 3.47Å; F386-L450 VanDerWaalsContact CE1-CD2 3.47Å; F386-L450 HydrophobicContact CZ-CD1 4.46Å; F386-L450 HydrophobicContact CZ-CD2 3.59Å
387S86.3Confident85.9Confident42 Ų4250.4 Ų50.429%0.29426%0.259SS..EExtended strand (participates in β ladder)trans-114.7137.5178-44.70000110.9Q429S387-Q429 CarbonylContact C-O 3.47Å; S387-Q429 WeakPolarHBondContact CA-O 3.28Å
388L85.1Confident84.6Confident6 Ų648.8 Ų48.83%0.03125%0.249CC..EExtended strand (participates in β ladder)trans-115.2137.4172.5-61.5-179.2000109.9P48 I70 F386 V390 I401 C428 Q429 Y431P48-L388 HydrophobicContact CB-CD2 3.82Å; P48-L388 HydrophobicContact CG-CD2 3.98Å; I70-L388 HydrophobicContact CG2-CD1 4.29Å; I70-L388 HydrophobicContact CG2-CD2 4.49Å; F386-L388 HydrophobicContact CD2-CD2 3.99Å; F386-L388 HydrophobicContact CD2-CG 3.91Å; F386-L388 HydrophobicContact CE2-CD1 3.86Å; F386-L388 HydrophobicContact CE2-CD2 4.04Å; F386-L388 HydrophobicContact CE2-CG 3.72Å; L388-V390 HydrophobicContact CB-CG1 4.08Å; L388-I401 HydrophobicContact CD1-CD1 4.02Å; L388-I401 HydrophobicContact CD1-CG1 4.36Å; L388-C428 WeakPolarHBondContact O-CA 3.28Å; L388-Q429 PolarHBondContact N-O 3.31Å; L388-Q429 PolarHBondContact O-N 2.94Å; L388-Y431 HydrophobicContact CB-CE2 4.26Å; L388-Y431 HydrophobicContact CD1-CD2 4.17Å; L388-Y431 HydrophobicContact CD1-CE2 3.82Å; L388-Y431 HydrophobicContact CG-CD2 4.2Å; L388-Y431 HydrophobicContact CG-CE2 4.13Å
389I83.4Confident83.5Confident35 Ų3549.4 Ų49.418%0.17925%0.252CS..EExtended strand (participates in β ladder)trans-89.3126.3163.4-55.1-50.7000107.8I402 Y427 C428 L458I389-I402 HydrophobicContact CB-CB 4.43Å; I389-I402 HydrophobicContact CG2-CB 4.05Å; I389-I402 HydrophobicContact CG2-CD1 3.94Å; I389-I402 HydrophobicContact CG2-CG1 4.49Å; I389-I402 PolarHBondContact O-N 3.05Å; I389-Y427 CarbonylContact C-O 3.41Å; I389-Y427 WeakPolarHBondContact CA-O 3.48Å; I389-C428 HydrophobicContact CD1-CB 3.67Å; I389-L458 HydrophobicContact CD1-CD1 4.2Å; I389-L458 HydrophobicContact CD1-CD2 4.48Å; I389-L458 HydrophobicContact CG2-CD1 3.73Å
390V83.2Confident82.5Confident1 Ų154 Ų541%0.00627%0.272CS..EExtended strand (participates in β ladder)trans-129.2144.6-176.8-58.10000110.8L388 M399 K400 I401 Q426 Y427 Q429L388-V390 HydrophobicContact CB-CG1 4.08Å; V390-M399 HydrophobicContact CB-CG 3.71Å; V390-M399 HydrophobicContact CB-SD 3.84Å; V390-M399 HydrophobicContact CG1-CG 4.08Å; V390-M399 HydrophobicContact CG1-SD 3.79Å; V390-M399 HydrophobicContact CG2-CE 4.05Å; V390-M399 HydrophobicContact CG2-CG 4.16Å; V390-M399 HydrophobicContact CG2-SD 3.88Å; V390-K400 CarbonylContact C-O 3.55Å; V390-K400 VanDerWaalsContact CA-O 3.31Å; V390-K400 WeakPolarHBondContact CA-O 3.22Å; V390-I401 HydrophobicContact CG1-CG1 4.43Å; V390-Q426 CarbonylContact O-C 3.6Å; V390-Q426 WeakPolarHBondContact O-CA 3.21Å; V390-Y427 PolarHBondContact N-O 3.03Å; V390-Y427 PolarHBondContact O-N 2.83Å; V390-Q429 HydrophobicContact CG2-CG 3.97Å
391K84.1Confident81.4Confident78 Ų7854.1 Ų54.134%0.33927%0.272SS..EExtended strand (participates in β ladder)trans-103.7126.3165.5-172.8164.6-178.3157.20109K400 I402 D423 D425K391-K400 PolarHBondContact N-O 2.8Å; K391-K400 PolarHBondContact O-N 2.8Å; K391-I402 HydrophobicContact CB-CD1 3.76Å; K391-I402 HydrophobicContact CB-CG1 4.05Å; K391-D423 WeakPolarHBondContact CE-OD2 3.33Å; K391-D423 VanDerWaalsContact NZ-CG 3.26Å; K391-D423 IonicContact NZ-OD1 3.07Å; K391-D423 PolarHBondContact NZ-OD1 3.25Å; K391-D423 IonicContact NZ-OD2 2.66Å; K391-D423 PolarHBondContact NZ-OD2 2.8Å; K391-D425 WeakPolarHBondContact CA-O 3.2Å; K391-D425 HydrophobicContact CG-CB 4.25Å
392K81.7Confident80.2Confident54 Ų5456.2 Ų56.224%0.23528%0.283CS..EExtended strand (participates in β ladder)trans-89.4126.9174-66.3-173.8-177.2178.10109.2M399 D425 Y427 E455K392-M399 HydrophobicContact CD-CE 4.45Å; K392-M399 HydrophobicContact CG-CE 4.08Å; K392-D425 PolarHBondContact N-O 3.03Å; K392-Y427 HydrophobicContact CB-CE2 4.32Å; K392-Y427 HydrophobicContact CD-CD2 3.83Å; K392-Y427 HydrophobicContact CD-CE2 3.69Å; K392-Y427 HydrophobicContact CG-CD2 3.9Å; K392-Y427 HydrophobicContact CG-CE2 4.03Å; K392-E455 WeakPolarHBondContact CE-OE2 3.23Å; K392-E455 IonicContact NZ-OE1 2.75Å; K392-E455 PolarHBondContact NZ-OE1 2.92Å; K392-E455 IonicContact NZ-OE2 2.66Å; K392-E455 PolarHBondContact NZ-OE2 3.31Å
393D75.2Confident78.6Confident50 Ų5060.4 Ų60.427%0.26730%0.3SS..EExtended strand (participates in β ladder)trans-97.6105.6170.2-168.4-33.3000108.9K395 E396 N397 S398D393-K395 PolarHBondContact O-N 2.96Å; D393-K395 WeakPolarHBondContact OD1-CB 3.39Å; D393-K395 PolarHBondContact OD1-N 2.66Å; D393-E396 HydrophobicContact CB-CB 4.45Å; D393-E396 PolarHBondContact OD1-N 2.75Å; D393-N397 WeakPolarHBondContact O-CA 3.42Å; D393-N397 PolarHBondContact O-N 3.03Å; D393-S398 PolarHBondContact N-O 2.98Å; D393-S398 PolarHBondContact O-N 3.14Å
394T68.4Low76.6Confident110 Ų11061.1 Ų61.168%0.67530%0.304SS*.THydrogen-bonded Turntrans-66-23-179.952.90000113.2
395K67.8Low74.1Confident196 Ų19663 Ų6385%0.85232%0.318SS*.THydrogen-bonded Turntrans-81.8-38.2-178.5-64.4178.6-178.9171.50112.2D393D393-K395 PolarHBondContact O-N 2.96Å; D393-K395 WeakPolarHBondContact OD1-CB 3.39Å; D393-K395 PolarHBondContact OD1-N 2.66Å
396E63.3Low71.5Confident129 Ų12962.1 Ų62.160%0.60331%0.313SS*.THydrogen-bonded Turntrans-93.7-6.2179.1-70.5-172.3168.400113.3D393 S398D393-E396 HydrophobicContact CB-CB 4.45Å; D393-E396 PolarHBondContact OD1-N 2.75Å; E396-S398 WeakPolarHBondContact CB-OG 3.26Å; E396-S398 PolarHBondContact O-N 3.17Å; E396-S398 PolarHBondContact OE2-OG 3.01Å
397N66.3Low68.9Low145 Ų14569.8 Ų69.878%0.77535%0.346SS*.THydrogen-bonded Turntrans49.238-168-163.745.8000111.3D393D393-N397 WeakPolarHBondContact O-CA 3.42Å; D393-N397 PolarHBondContact O-N 3.03Å
398S69.9Low66.6Low15 Ų1573 Ų7311%0.10536%0.36CS..EExtended strand (participates in β ladder)trans-118.1158-173.778.80000110.2D393 E396D393-S398 PolarHBondContact N-O 2.98Å; D393-S398 PolarHBondContact O-N 3.14Å; E396-S398 WeakPolarHBondContact CB-OG 3.26Å; E396-S398 PolarHBondContact O-N 3.17Å; E396-S398 PolarHBondContact OE2-OG 3.01Å
399M75.2Confident64.1Low13 Ų1374.1 Ų74.16%0.06437%0.366CS..EExtended strand (participates in β ladder)trans-124.2135.8179.3-174.1179.4-7700109.3V390 K392 Q429V390-M399 HydrophobicContact CB-CG 3.71Å; V390-M399 HydrophobicContact CB-SD 3.84Å; V390-M399 HydrophobicContact CG1-CG 4.08Å; V390-M399 HydrophobicContact CG1-SD 3.79Å; V390-M399 HydrophobicContact CG2-CE 4.05Å; V390-M399 HydrophobicContact CG2-CG 4.16Å; V390-M399 HydrophobicContact CG2-SD 3.88Å; K392-M399 HydrophobicContact CD-CE 4.45Å; K392-M399 HydrophobicContact CG-CE 4.08Å; M399-Q429 PolarHBondContact SD-OE1 2.9Å
400K77.1Confident61.4Low111 Ų11178.4 Ų78.448%0.48339%0.386SS..EExtended strand (participates in β ladder)trans-119.9129.6174.7-67.5178.3-177.6165.90109.3V390 K391V390-K400 CarbonylContact C-O 3.55Å; V390-K400 VanDerWaalsContact CA-O 3.31Å; V390-K400 WeakPolarHBondContact CA-O 3.22Å; K391-K400 PolarHBondContact N-O 2.8Å; K391-K400 PolarHBondContact O-N 2.8Å
401I75Confident59.2Low25 Ų2581.6 Ų81.613%0.12840%0.398CS..EExtended strand (participates in β ladder)trans-69.6130.9169.5-61.6172.6000107.7L5 L388 V390 F403L5-I401 HydrophobicContact CD1-CD1 4.49Å; L5-I401 HydrophobicContact CD2-CD1 3.61Å; L5-I401 HydrophobicContact CD2-CG1 4.17Å; L388-I401 HydrophobicContact CD1-CD1 4.02Å; L388-I401 HydrophobicContact CD1-CG1 4.36Å; V390-I401 HydrophobicContact CG1-CG1 4.43Å; I401-F403 HydrophobicContact CG2-CE1 4.37Å; I401-F403 HydrophobicContact CG2-CE2 4.49Å; I401-F403 HydrophobicContact CG2-CZ 4.25Å
402I72Confident56.5Low47 Ų4784 Ų8424%0.24141%0.41CS..PPolyproline II helixtrans-93.3119.3172.2-60.7166.1000107.7I389 K391 Q426I389-I402 HydrophobicContact CB-CB 4.43Å; I389-I402 HydrophobicContact CG2-CB 4.05Å; I389-I402 HydrophobicContact CG2-CD1 3.94Å; I389-I402 HydrophobicContact CG2-CG1 4.49Å; I389-I402 PolarHBondContact O-N 3.05Å; K391-I402 HydrophobicContact CB-CD1 3.76Å; K391-I402 HydrophobicContact CB-CG1 4.05Å; I402-Q426 HydrophobicContact CD1-CB 4.42Å; I402-Q426 HydrophobicContact CD1-CG 3.72Å
403F64.3Low54Low90 Ų9087.9 Ų87.940%0.39543%0.433SS..PPolyproline II helixtrans-86.4117.9165.9-57.1-83.3000107.8P48 T71 I401P48-F403 HydrophobicContact CG-CE1 4.38Å; T71-F403 HydrophobicContact CG2-CZ 4.03Å; I401-F403 HydrophobicContact CG2-CE1 4.37Å; I401-F403 HydrophobicContact CG2-CE2 4.49Å; I401-F403 HydrophobicContact CG2-CZ 4.25Å
404K54.9Low51.7Low56 Ų5691.3 Ų91.324%0.24345%0.452CS..PPolyproline II helixtrans-82.4133.9166.5-70.9-164.2176.7-1640108.9Y421K404-Y421 PolarHBondContact NZ-OH 3.34Å
405S41.2Very low50Low51 Ų5194.1 Ų94.136%0.35746%0.461SS..PPolyproline II helixtrans-63.2146.3172.21660000109.9K407 D408S405-K407 PolarHBondContact O-N 3.17Å; S405-K407 VanDerWaalsContact O-N 3.1Å; S405-K407 PolarHBondContact OG-N 2.72Å; S405-D408 PolarHBondContact O-N 2.83Å
406P37.8Very low48.6Very low37 Ų3786.8 Ų86.824%0.2443%0.432CS..G310 helixtrans-53.5-29.8172.7-24.432.9000113.3D408 N409P406-D408 PolarHBondContact O-N 3.37Å; P406-N409 PolarHBondContact O-N 3.18Å; P406-N409 VanDerWaalsContact O-N 3.16Å
407K35Very low47.1Very low174 Ų17485.6 Ų85.676%0.75743%0.43SS*.G310 helixtrans-66.8-24177.2-66.9-174.9179.4176.80113.6S405S405-K407 PolarHBondContact O-N 3.17Å; S405-K407 VanDerWaalsContact O-N 3.1Å; S405-K407 PolarHBondContact OG-N 2.72Å
408D38.2Very low46Very low109 Ų10982.5 Ų82.558%0.58342%0.417SS*.G310 helixtrans-91-4.4177.1-57.5-32000112.3S405 P406S405-D408 PolarHBondContact O-N 2.83Å; P406-D408 PolarHBondContact O-N 3.37Å
409N32Very low44.6Very low30 Ų3086.8 Ų86.816%0.1644%0.438CS..G310 helixtrans-89.20.6176.8-74.7-17.5000113.4N46 P406 Y411 C477N46-N409 PolarHBondContact ND2-ND2 3.09Å; P406-N409 PolarHBondContact O-N 3.18Å; P406-N409 VanDerWaalsContact O-N 3.16Å; N409-Y411 PolarHBondContact O-N 3.36Å; N409-C477 PolarHBondContact O-SG 3.05Å
410Q27.4Very low43.3Very low126 Ų12694.1 Ų94.159%0.58947%0.472SS*.  trans-70.875.9169.7-71-176.38.700110.2H412Q410-H412 PolarHBondContact O-N 3.47Å
411Y37.2Very low42Very low68 Ų6890.4 Ų90.427%0.26746%0.456SS..  trans-67.885.2160.3-71.8-78.1000107.3N409 V416 Y421 I468N409-Y411 PolarHBondContact O-N 3.36Å; Y411-V416 HydrophobicContact CD1-CG2 3.68Å; Y411-V416 HydrophobicContact CE1-CG2 3.92Å; Y411-Y421 PolarHBondContact OH-OH 2.75Å; Y411-I468 HydrophobicContact CD1-CD1 4.08Å; Y411-I468 HydrophobicContact CD1-CG1 4.12Å; Y411-I468 HydrophobicContact CD1-CG2 4.02Å; Y411-I468 HydrophobicContact CE1-CB 4.5Å; Y411-I468 HydrophobicContact CE1-CD1 3.53Å; Y411-I468 HydrophobicContact CE1-CG1 3.49Å; Y411-I468 VanDerWaalsContact CE1-CG1 3.49Å; Y411-I468 HydrophobicContact CE1-CG2 4.25Å; Y411-I468 HydrophobicContact CE2-CG1 4.5Å; Y411-I468 HydrophobicContact CG-CG2 4.25Å
412H27Very low40.9Very low128 Ų12897.6 Ų97.659%0.59349%0.489SS*.  trans-53.4141.7158-89.1-82.5000107.9Q410 D414Q410-H412 PolarHBondContact O-N 3.47Å; H412-D414 PolarHBondContact O-N 3.37Å
413D29.5Very low40.5Very low135 Ų13597.6 Ų97.672%0.72249%0.489SS*.SBendtrans-56.510.3173.6-84.5-39.8000113.9I415D413-I415 PolarHBondContact O-N 3.27Å
414D27.2Very low41Very low123 Ų123100 Ų10066%0.65850%0.502SS*.SBendtrans-79.2110.1170.5-65.1-33000108H412 V416H412-D414 PolarHBondContact O-N 3.37Å; D414-V416 PolarHBondContact O-N 2.85Å
415I32.2Very low42.2Very low169 Ų169100.1 Ų100.187%0.86751%0.505SS*.  trans-15.998.9161.5-60.2166.4000109.7D413 N417D413-I415 PolarHBondContact O-N 3.27Å; I415-N417 PolarHBondContact O-N 3.39Å
416V37.3Very low44.3Very low41 Ų4199.2 Ų99.225%0.24850%0.495CS..  trans-51.5114.7-174.2172.30000108.2Y411 D414 T418 I468Y411-V416 HydrophobicContact CD1-CG2 3.68Å; Y411-V416 HydrophobicContact CE1-CG2 3.92Å; D414-V416 PolarHBondContact O-N 2.85Å; V416-T418 PolarHBondContact O-N 2.97Å; V416-I468 HydrophobicContact CB-CD1 4.08Å; V416-I468 HydrophobicContact CG1-CD1 4.32Å; V416-I468 HydrophobicContact CG2-CD1 3.58Å
417N33.2Very low46.5Very low105 Ų10599.5 Ų99.556%0.56149%0.492SS*.  trans-61110.2174.5-156.320.6000105.8I415 D419 E420I415-N417 PolarHBondContact O-N 3.39Å; N417-D419 PolarHBondContact ND2-OD2 3.09Å; N417-D419 PolarHBondContact O-N 2.88Å; N417-D419 PolarHBondContact OD1-OD2 3Å; N417-E420 PolarHBondContact O-N 3.14Å
418T43.5Very low48.8Very low80 Ų8091.3 Ų91.349%0.49146%0.456SS..G310 helixtrans-60.4-8.2-176.542.10000113.1V416 E420 P461V416-T418 PolarHBondContact O-N 2.97Å; T418-E420 VanDerWaalsContact C-N 3.27Å; T418-E420 PolarHBondContact O-N 3.3Å; T418-P461 HydrophobicContact CG2-CB 3.81Å
419D40.5Very low51.1Low105 Ų10586.1 Ų86.156%0.56143%0.428SS*.G310 helixtrans-71.7-10.4179.5-58.1-20.8000113.9N417N417-D419 PolarHBondContact ND2-OD2 3.09Å; N417-D419 PolarHBondContact O-N 2.88Å; N417-D419 PolarHBondContact OD1-OD2 3Å
420E47.7Very low53.7Low166 Ų16685.3 Ų85.378%0.77642%0.424SS*.G310 helixtrans-81.7-15.8177.2-75.9-170.2173.300114.6N417 T418N417-E420 PolarHBondContact O-N 3.14Å; T418-E420 VanDerWaalsContact C-N 3.27Å; T418-E420 PolarHBondContact O-N 3.3Å
421Y49.6Very low56.7Low33 Ų3379.4 Ų79.413%0.12940%0.396CS..  trans-101.860.6176.2-66.8-79.2000111.5K404 Y411 D423 L458 V464K404-Y421 PolarHBondContact NZ-OH 3.34Å; Y411-Y421 PolarHBondContact OH-OH 2.75Å; Y421-D423 PolarHBondContact O-N 3.48Å; Y421-L458 HydrophobicContact CD1-CB 3.87Å; Y421-L458 HydrophobicContact CD1-CD1 4.2Å; Y421-L458 HydrophobicContact CE1-CB 4.14Å; Y421-L458 HydrophobicContact CE1-CD1 3.76Å; Y421-L458 HydrophobicContact CE1-CG 4.47Å; Y421-L458 HydrophobicContact CG-CB 4.47Å; Y421-V464 HydrophobicContact CD2-CG1 4.37Å; Y421-V464 HydrophobicContact CD2-CG2 4.03Å; Y421-V464 HydrophobicContact CE2-CG1 3.9Å; Y421-V464 HydrophobicContact CE2-CG2 4.12Å
422E52.1Low59.4Low176 Ų17676.3 Ų76.382%0.82238%0.384SS*.  trans-70.3-14.6173-67.9-169.6158.200113.1E424E422-E424 PolarHBondContact O-N 2.91Å
423D63.5Low62.6Low48 Ų4870.2 Ų70.226%0.25736%0.356SS..  trans-89.495.1-171.6-160.37.7000111.3K391 Y421 D425 Q426K391-D423 WeakPolarHBondContact CE-OD2 3.33Å; K391-D423 VanDerWaalsContact NZ-CG 3.26Å; K391-D423 IonicContact NZ-OD1 3.07Å; K391-D423 PolarHBondContact NZ-OD1 3.25Å; K391-D423 IonicContact NZ-OD2 2.66Å; K391-D423 PolarHBondContact NZ-OD2 2.8Å; Y421-D423 PolarHBondContact O-N 3.48Å; D423-D425 PolarHBondContact O-N 2.84Å; D423-Q426 HydrophobicContact CB-CG 4.03Å; D423-Q426 PolarHBondContact O-N 2.71Å; D423-Q426 PolarHBondContact OD2-NE2 2.73Å
424E73.2Confident65.8Low141 Ų14163.8 Ų63.866%0.65932%0.322SS*.THydrogen-bonded Turntrans-56.9-18-179.2-67.4-173167.900114E422 Q457E422-E424 PolarHBondContact O-N 2.91Å; E424-Q457 PolarHBondContact O-NE2 2.95Å
425D81.1Confident69.1Low58 Ų5858 Ų5831%0.3129%0.29SS..THydrogen-bonded Turntrans-89.55.4-175.4-69.2-36.2000114.4K391 K392 D423 Y427K391-D425 WeakPolarHBondContact CA-O 3.2Å; K391-D425 HydrophobicContact CG-CB 4.25Å; K392-D425 PolarHBondContact N-O 3.03Å; D423-D425 PolarHBondContact O-N 2.84Å; D425-Y427 WeakPolarHBondContact O-CD2 3.11Å
426Q85.1Confident72.2Confident32 Ų3249.9 Ų49.915%0.1525%0.249CC..EExtended strand (participates in β ladder)trans-98136.7-179.6-59.4-172.41700113.4V390 I402 D423 L458V390-Q426 CarbonylContact O-C 3.6Å; V390-Q426 WeakPolarHBondContact O-CA 3.21Å; I402-Q426 HydrophobicContact CD1-CB 4.42Å; I402-Q426 HydrophobicContact CD1-CG 3.72Å; D423-Q426 HydrophobicContact CB-CG 4.03Å; D423-Q426 PolarHBondContact O-N 2.71Å; D423-Q426 PolarHBondContact OD2-NE2 2.73Å; Q426-L458 HydrophobicContact CB-CB 4.26Å; Q426-L458 HydrophobicContact CB-CD1 3.98Å; Q426-L458 HydrophobicContact CB-CG 4.4Å; Q426-L458 PolarHBondContact O-N 2.86Å
427Y83.6Confident75.1Confident43 Ų4348 Ų4817%0.16924%0.237CC..EExtended strand (participates in β ladder)trans-134.9147.7-176.9-61.9-97.3000111.2I389 V390 K392 D425 E455 Y456 Q457I389-Y427 CarbonylContact C-O 3.41Å; I389-Y427 WeakPolarHBondContact CA-O 3.48Å; V390-Y427 PolarHBondContact N-O 3.03Å; V390-Y427 PolarHBondContact O-N 2.83Å; K392-Y427 HydrophobicContact CB-CE2 4.32Å; K392-Y427 HydrophobicContact CD-CD2 3.83Å; K392-Y427 HydrophobicContact CD-CE2 3.69Å; K392-Y427 HydrophobicContact CG-CD2 3.9Å; K392-Y427 HydrophobicContact CG-CE2 4.03Å; D425-Y427 WeakPolarHBondContact O-CD2 3.11Å; Y427-E455 HydrophobicContact CD1-CG 3.76Å; Y427-E455 HydrophobicContact CG-CG 4.19Å; Y427-Y456 CarbonylContact C-O 3.57Å; Y427-Y456 WeakPolarHBondContact CA-O 3.35Å; Y427-Q457 HydrophobicContact CD1-CB 3.86Å; Y427-Q457 HydrophobicContact CD1-CG 4.18Å; Y427-Q457 HydrophobicContact CE1-CB 3.62Å; Y427-Q457 HydrophobicContact CE1-CG 3.71Å
428C83.7Confident78.2Confident1 Ų144.8 Ų44.81%0.00722%0.22CC..EExtended strand (participates in β ladder)trans-98.6129.3162.4-176.90000108.8L388 I389 E455 Y456 L458 I467L388-C428 WeakPolarHBondContact O-CA 3.28Å; I389-C428 HydrophobicContact CD1-CB 3.67Å; C428-E455 CarbonylContact O-C 3.54Å; C428-E455 WeakPolarHBondContact O-CA 3.36Å; C428-Y456 PolarHBondContact N-O 2.98Å; C428-Y456 PolarHBondContact O-N 2.92Å; C428-L458 HydrophobicContact CB-CD2 3.94Å; C428-I467 HydrophobicContact CB-CD1 3.39Å; C428-I467 HydrophobicContact CB-CG1 4.24Å
429Q86.1Confident80.8Confident0 Ų042.4 Ų42.40%020%0.204CC..EExtended strand (participates in β ladder)trans-121.2130.9-179.1-72.7-179.5-35.400110.1S387 L388 V390 M399 Y431 L452 S454 E455S387-Q429 CarbonylContact C-O 3.47Å; S387-Q429 WeakPolarHBondContact CA-O 3.28Å; L388-Q429 PolarHBondContact N-O 3.31Å; L388-Q429 PolarHBondContact O-N 2.94Å; V390-Q429 HydrophobicContact CG2-CG 3.97Å; M399-Q429 PolarHBondContact SD-OE1 2.9Å; Q429-Y431 HydrophobicContact CB-CD2 4.27Å; Q429-Y431 HydrophobicContact CB-CE2 3.51Å; Q429-Y431 PolarHBondContact OE1-OH 2.84Å; Q429-L452 HydrophobicContact CB-CD1 3.66Å; Q429-L452 HydrophobicContact CG-CD1 3.93Å; Q429-S454 WeakPolarHBondContact CA-O 3.21Å; Q429-E455 HydrophobicContact CG-CB 4.06Å; Q429-E455 HydrophobicContact CG-CG 3.88Å; Q429-E455 PolarHBondContact NE2-OE2 3.11Å
430E87.6Confident83.5Confident13 Ų1340.5 Ų40.56%0.06120%0.196CC..EExtended strand (participates in β ladder)trans-102.6129.4176.2-60.7176.5145.700110.1L327 L453 S454 Y456L327-E430 WeakPolarHBondContact CD2-OE2 3.48Å; E430-L453 WeakPolarHBondContact O-CB 3.47Å; E430-L453 PolarHBondContact O-N 2.82Å; E430-S454 WeakPolarHBondContact CB-OG 3.42Å; E430-S454 VanDerWaalsContact CD-OG 3.25Å; E430-S454 WeakPolarHBondContact CG-OG 3.24Å; E430-S454 PolarHBondContact N-O 3.13Å; E430-S454 PolarHBondContact O-N 2.93Å; E430-S454 PolarHBondContact OE2-OG 3.14Å; E430-Y456 HydrophobicContact CG-CE2 4.33Å
431Y89.9Confident85.9Confident2 Ų240.3 Ų40.31%0.00820%0.195CC..EExtended strand (participates in β ladder)trans-117.9145.6-176.9-71.3-84.8000111.1L8 T385 F386 L388 Q429 I451 L452L8-Y431 HydrophobicContact CB-CE1 3.89Å; L8-Y431 HydrophobicContact CD2-CD1 4.38Å; L8-Y431 HydrophobicContact CD2-CE1 3.97Å; L8-Y431 HydrophobicContact CG-CE1 4.42Å; L8-Y431 WeakPolarHBondContact O-CE1 3.44Å; L8-Y431 PolarHBondContact O-OH 2.95Å; T385-Y431 WeakPolarHBondContact CA-O 3.21Å; T385-Y431 WeakPolarHBondContact CB-O 3.15Å; F386-Y431 HydrophobicContact CD2-CD2 4.31Å; F386-Y431 AromaticContact CE2-CD2 3.74Å; F386-Y431 HydrophobicContact CE2-CD2 3.74Å; F386-Y431 AromaticContact CE2-CG 3.92Å; F386-Y431 HydrophobicContact CE2-CG 3.92Å; F386-Y431 VanDerWaalsContact CZ-CB 3.48Å; F386-Y431 HydrophobicContact CZ-CD2 4.21Å; F386-Y431 AromaticContact CZ-CG 3.91Å; F386-Y431 HydrophobicContact CZ-CG 3.91Å; F386-Y431 PolarHBondContact N-O 2.92Å; F386-Y431 VanDerWaalsContact N-O 3.1Å; F386-Y431 PolarHBondContact O-N 2.86Å; L388-Y431 HydrophobicContact CB-CE2 4.26Å; L388-Y431 HydrophobicContact CD1-CD2 4.17Å; L388-Y431 HydrophobicContact CD1-CE2 3.82Å; L388-Y431 HydrophobicContact CG-CD2 4.2Å; L388-Y431 HydrophobicContact CG-CE2 4.13Å; Q429-Y431 HydrophobicContact CB-CD2 4.27Å; Q429-Y431 HydrophobicContact CB-CE2 3.51Å; Q429-Y431 PolarHBondContact OE1-OH 2.84Å; Y431-I451 WeakPolarHBondContact CA-O 3.39Å; Y431-L452 HydrophobicContact CD1-CB 4.23Å; Y431-L452 HydrophobicContact CD1-CD1 4.36Å; Y431-L452 HydrophobicContact CE1-CB 3.77Å; Y431-L452 HydrophobicContact CE1-CD1 3.86Å; Y431-L452 HydrophobicContact CE1-CG 4.39Å; Y431-L452 HydrophobicContact CE2-CD1 4.12Å
432L93.1Very high88Confident4 Ų440.8 Ų40.82%0.02121%0.21CC..EExtended strand (participates in β ladder)trans-101.7125.8161.7175.265.9000109W14 Y383 T385 I434 L450 I451 L453W14-L432 HydrophobicContact CH2-CD2 4.08Å; Y383-L432 HydrophobicContact CD2-CD1 4.42Å; T385-L432 HydrophobicContact CG2-CD1 4.17Å; L432-I434 HydrophobicContact CD2-CG2 4.36Å; L432-I434 HydrophobicContact CG-CG2 4.16Å; L432-L450 WeakPolarHBondContact O-CA 3.41Å; L432-I451 HydrophobicContact CB-CG2 3.8Å; L432-I451 HydrophobicContact CD2-CG2 4.25Å; L432-I451 HydrophobicContact CG-CG2 4.42Å; L432-I451 PolarHBondContact N-O 2.85Å; L432-I451 PolarHBondContact O-N 2.67Å; L432-L453 HydrophobicContact CB-CD1 3.92Å; L432-L453 HydrophobicContact CB-CD2 4.04Å; L432-L453 HydrophobicContact CB-CG 4.03Å
433F94.6Very high90.2Very high0 Ų036 Ų360%019%0.193CC..EExtended strand (participates in β ladder)trans-100.6139.9167.2177.9-103.3000110.2V17 T34 I50 L68 W75 Y383 C384 F386 H435 S448 Y449 L450V17-F433 HydrophobicContact CG2-CE2 4.46Å; T34-F433 HydrophobicContact CG2-CD1 4.42Å; T34-F433 HydrophobicContact CG2-CE1 3.99Å; I50-F433 HydrophobicContact CD1-CB 3.71Å; I50-F433 HydrophobicContact CD1-CD1 3.72Å; I50-F433 HydrophobicContact CD1-CD2 3.77Å; I50-F433 HydrophobicContact CD1-CE1 4.23Å; I50-F433 HydrophobicContact CD1-CE2 4.26Å; I50-F433 HydrophobicContact CD1-CG 3.45Å; I50-F433 VanDerWaalsContact CD1-CG 3.45Å; I50-F433 HydrophobicContact CD1-CZ 4.47Å; I50-F433 HydrophobicContact CG2-CD1 4.13Å; I50-F433 HydrophobicContact CG2-CE1 4.14Å; L68-F433 HydrophobicContact CD2-CD2 4.42Å; L68-F433 HydrophobicContact CD2-CE2 3.6Å; L68-F433 HydrophobicContact CD2-CZ 3.88Å; W75-F433 HydrophobicContact CH2-CZ 4.18Å; W75-F433 HydrophobicContact CZ2-CZ 4.06Å; Y383-F433 CarbonylContact C-O 3.58Å; Y383-F433 WeakPolarHBondContact CA-O 3.2Å; Y383-F433 WeakPolarHBondContact CB-O 3.49Å; C384-F433 PolarHBondContact N-O 2.72Å; C384-F433 VanDerWaalsContact N-O 3.09Å; C384-F433 PolarHBondContact O-N 2.83Å; F386-F433 HydrophobicContact CE1-CB 4.11Å; F433-H435 HydrophobicContact CE1-CB 3.75Å; F433-H435 HydrophobicContact CZ-CB 3.9Å; F433-S448 WeakPolarHBondContact CZ-OG 3.39Å; F433-Y449 WeakPolarHBondContact CA-O 3.09Å; F433-L450 HydrophobicContact CB-CD2 3.7Å; F433-L450 HydrophobicContact CD2-CD2 3.68Å; F433-L450 HydrophobicContact CD2-CG 4.12Å; F433-L450 HydrophobicContact CG-CD2 4.19Å
434I96.3Very high91.9Very high0 Ų036.5 Ų36.50%019%0.194CC..EExtended strand (participates in β ladder)trans-130.5147.5167.869.4174.8000110W14 F342 P375 F381 A382 L432 S448 Y449W14-I434 HydrophobicContact CH2-CD1 3.85Å; W14-I434 HydrophobicContact CH2-CG1 4.3Å; W14-I434 HydrophobicContact CH2-CG2 4.08Å; W14-I434 HydrophobicContact CZ3-CD1 3.84Å; W14-I434 HydrophobicContact CZ3-CG1 3.99Å; W14-I434 HydrophobicContact CZ3-CG2 4.37Å; F342-I434 HydrophobicContact CD1-CD1 4.31Å; F342-I434 HydrophobicContact CE1-CD1 3.62Å; F342-I434 HydrophobicContact CZ-CD1 4.19Å; P375-I434 HydrophobicContact CB-CD1 3.78Å; P375-I434 HydrophobicContact CG-CD1 3.58Å; F381-I434 HydrophobicContact CD2-CB 4.04Å; F381-I434 HydrophobicContact CD2-CG2 4.09Å; F381-I434 HydrophobicContact CE2-CB 4.39Å; F381-I434 HydrophobicContact CE2-CG2 3.94Å; A382-I434 CarbonylContact O-C 3.39Å; A382-I434 VanDerWaalsContact O-CA 3.26Å; A382-I434 WeakPolarHBondContact O-CA 3.23Å; L432-I434 HydrophobicContact CD2-CG2 4.36Å; L432-I434 HydrophobicContact CG-CG2 4.16Å; I434-S448 VanDerWaalsContact O-CA 3.27Å; I434-S448 WeakPolarHBondContact O-CA 3.44Å; I434-Y449 HydrophobicContact CD1-CD2 4.15Å; I434-Y449 HydrophobicContact CG1-CD2 4.19Å; I434-Y449 PolarHBondContact N-O 2.86Å; I434-Y449 PolarHBondContact O-N 3.12Å
435H96.7Very high93Very high0 Ų031 Ų310%017%0.168CC..EExtended strand (participates in β ladder)trans-139.1140.6171174.2-78.6000111.7H32 M52 F381 A382 F433 D447 S448H32-H435 AromaticContact CD2-ND1 3.78Å; H32-H435 AromaticContact CE1-ND1 3.6Å; H32-H435 PolarHBondContact CE1-O 2.78Å; H32-H435 AromaticContact NE2-CE1 3.78Å; H32-H435 AromaticContact NE2-CG 3.72Å; H32-H435 AromaticContact NE2-ND1 2.84Å; H32-H435 PolarHBondContact NE2-ND1 3.16Å; H32-H435 PolarHBondContact NE2-O 3.42Å; H32-H435 VanDerWaalsContact NE2-O 3.16Å; M52-H435 HydrophobicContact CE-CB 3.58Å; M52-H435 WeakPolarHBondContact CE-CD2 3.12Å; M52-H435 WeakPolarHBondContact CE-ND1 3.41Å; F381-H435 WeakPolarHBondContact CB-O 3.34Å; A382-H435 PolarHBondContact N-O 2.93Å; A382-H435 PolarHBondContact O-N 3.5Å; F433-H435 HydrophobicContact CE1-CB 3.75Å; F433-H435 HydrophobicContact CZ-CB 3.9Å; H435-D447 WeakPolarHBondContact CA-O 3.49Å; H435-S448 PolarHBondContact CD2-OG 2.85Å
436G97.5Very high93.7Very high0 Ų032 Ų320%017%0.174CC..  trans65.2-139.1167.800000114R378 F381 F445 D447R378-G436 WeakPolarHBondContact CD-O 3.47Å; R378-G436 PolarHBondContact NH1-O 3.48Å; F381-G436 WeakPolarHBondContact CB-O 3.3Å; G436-F445 WeakPolarHBondContact CA-O 3.24Å; G436-D447 PolarHBondContact N-O 2.95Å
437G98Very high94.1Very high0 Ų031.3 Ų31.30%017%0.171CC..  trans87.2-172-168.900000112.2R29 L379 M444 F445R29-G437 PolarHBondContact O-N 3.04Å; L379-G437 CarbonylContact O-C 3.48Å; L379-G437 WeakPolarHBondContact O-CA 3.35Å; G437-M444 WeakPolarHBondContact O-CA 3.45Å; G437-F445 WeakPolarHBondContact O-CD2 3.5Å; G437-F445 PolarHBondContact O-N 3.12Å
438M98.2Very high94.7Very high39 Ų3929.5 Ų29.519%0.19216%0.164CC..BIsolated β-bridgetrans-142.7162.818061.8180-89.200112.4V30 R378 L379 V443 M444V30-M438 HydrophobicContact CG1-CB 3.69Å; V30-M438 HydrophobicContact CG1-CG 3.64Å; V30-M438 HydrophobicContact CG1-SD 3.87Å; R378-M438 CarbonylContact C-O 3.5Å; R378-M438 WeakPolarHBondContact CA-O 3.36Å; L379-M438 HydrophobicContact CD2-CG 4.29Å; L379-M438 WeakPolarHBondContact CD2-O 3.22Å; L379-M438 HydrophobicContact CG-CG 4.09Å; L379-M438 PolarHBondContact N-O 3.4Å; L379-M438 PolarHBondContact O-N 3.03Å; M438-V443 CarbonylContact C-O 3.5Å; M438-V443 WeakPolarHBondContact CA-O 3.1Å; M438-V443 WeakPolarHBondContact CB-O 3.31Å; M438-M444 HydrophobicContact CB-CG 4.12Å
439D98.3Very high95.1Very high29 Ų2930 Ų3016%0.15517%0.166CC..  trans-90.5175.8164.880.1-3.1000112.1H441 G442 V443 F445D439-H441 PolarHBondContact O-N 2.94Å; D439-H441 WeakPolarHBondContact OD1-CA 3.18Å; D439-H441 WeakPolarHBondContact OD1-CB 3.33Å; D439-H441 PolarHBondContact OD1-N 3.13Å; D439-H441 IonicContact OD2-CG 3.8Å; D439-H441 IonicContact OD2-ND1 3.07Å; D439-H441 PolarHBondContact OD2-ND1 3.06Å; D439-H441 VanDerWaalsContact OD2-ND1 3.07Å; D439-G442 PolarHBondContact O-N 2.95Å; D439-G442 PolarHBondContact OD1-N 2.79Å; D439-V443 PolarHBondContact N-O 2.82Å; D439-V443 WeakPolarHBondContact OD1-CB 3.26Å; D439-V443 PolarHBondContact OD1-N 3.13Å; D439-F445 HydrophobicContact CB-CE2 4.37Å; D439-F445 HydrophobicContact CB-CZ 4.11Å
440T97.4Very high95.4Very high66 Ų6630.1 Ų30.141%0.40517%0.167SC..THydrogen-bonded Turntrans-76.61.2177.947.10000114.7L345 A350 L379L345-T440 HydrophobicContact CD1-CG2 3.47Å; L345-T440 VanDerWaalsContact CD1-CG2 3.47Å; A350-T440 HydrophobicContact CB-CG2 4.3Å; L379-T440 HydrophobicContact CD2-CG2 4.17Å
441H97.2Very high95.5Very high162 Ų16229.5 Ų29.575%0.7516%0.164SC*.THydrogen-bonded Turntrans-97.3-0.6171.2-51.8102.6000112.3D439D439-H441 PolarHBondContact O-N 2.94Å; D439-H441 WeakPolarHBondContact OD1-CA 3.18Å; D439-H441 WeakPolarHBondContact OD1-CB 3.33Å; D439-H441 PolarHBondContact OD1-N 3.13Å; D439-H441 IonicContact OD2-CG 3.8Å; D439-H441 IonicContact OD2-ND1 3.07Å; D439-H441 PolarHBondContact OD2-ND1 3.06Å; D439-H441 VanDerWaalsContact OD2-ND1 3.07Å
442G95.6Very high95.4Very high43 Ų4329.7 Ų29.744%0.44317%0.165SC..SBendtrans86.510.4-178.700000114D439 M444D439-G442 PolarHBondContact O-N 2.95Å; D439-G442 PolarHBondContact OD1-N 2.79Å; G442-M444 PolarHBondContact O-N 2.95Å
443V98.1Very high95.2Very high76 Ų7630.9 Ų30.946%0.46117%0.171SC..  trans-77.4112.1173.5-178.20000108.3M438 D439 F445M438-V443 CarbonylContact C-O 3.5Å; M438-V443 WeakPolarHBondContact CA-O 3.1Å; M438-V443 WeakPolarHBondContact CB-O 3.31Å; D439-V443 PolarHBondContact N-O 2.82Å; D439-V443 WeakPolarHBondContact OD1-CB 3.26Å; D439-V443 PolarHBondContact OD1-N 3.13Å; V443-F445 HydrophobicContact CG1-CE1 4.03Å
444M97.9Very high94.7Very high58 Ų5831.4 Ų31.429%0.28618%0.175SC..BIsolated β-bridgetrans-86.2144.5174.9-62.1175.5-178.500110.6A28 V30 D57 G437 M438 G442A28-M444 HydrophobicContact CB-CB 3.9Å; V30-M444 HydrophobicContact CG1-CG 4.25Å; V30-M444 HydrophobicContact CG2-CE 4.36Å; D57-M444 HydrophobicContact CB-SD 3.78Å; G437-M444 WeakPolarHBondContact O-CA 3.45Å; M438-M444 HydrophobicContact CB-CG 4.12Å; G442-M444 PolarHBondContact O-N 2.95Å
445F97.4Very high94.1Very high25 Ų2533 Ų3311%0.1118%0.182CC..  trans-107.2147.5-179.6-52.3-61.3000111.4A28 R29 R378 G436 G437 D439 V443 D447A28-F445 WeakPolarHBondContact CA-O 3.19Å; A28-F445 WeakPolarHBondContact CB-O 3.32Å; R29-F445 PolarHBondContact N-O 2.6Å; R378-F445 HydrophobicContact CB-CD2 4.08Å; R378-F445 HydrophobicContact CB-CE2 3.89Å; G436-F445 WeakPolarHBondContact CA-O 3.24Å; G437-F445 WeakPolarHBondContact O-CD2 3.5Å; G437-F445 PolarHBondContact O-N 3.12Å; D439-F445 HydrophobicContact CB-CE2 4.37Å; D439-F445 HydrophobicContact CB-CZ 4.11Å; V443-F445 HydrophobicContact CG1-CE1 4.03Å; F445-D447 WeakPolarHBondContact CB-OD1 3.35Å
446D95Very high93.4Very high80 Ų8034.7 Ų34.743%0.42819%0.189SC..  trans-114.78.3171.964.4-12.5000112A28A28-D446 HydrophobicContact CB-CB 3.98Å
447D94.6Very high92.6Very high17 Ų1737.8 Ų37.89%0.09120%0.203CC..  trans-90.6155.3-173.664.92.8000112.8K16 R378 H435 G436 F445 Y449K16-D447 IonicContact NZ-OD2 3.11Å; R378-D447 IonicContact CZ-OD1 3.97Å; R378-D447 VanDerWaalsContact CZ-OD1 3.31Å; R378-D447 IonicContact NH1-OD1 3.59Å; R378-D447 PolarHBondContact NH1-OD1 3.14Å; R378-D447 IonicContact NH2-OD1 3.34Å; R378-D447 PolarHBondContact NH2-OD1 2.74Å; R378-D447 IonicContact NH2-OD2 3.36Å; R378-D447 PolarHBondContact NH2-OD2 2.93Å; H435-D447 WeakPolarHBondContact CA-O 3.49Å; G436-D447 PolarHBondContact N-O 2.95Å; F445-D447 WeakPolarHBondContact CB-OD1 3.35Å; D447-Y449 HydrophobicContact CB-CE2 4.06Å; D447-Y449 WeakPolarHBondContact OD1-CE2 3.33Å; D447-Y449 WeakPolarHBondContact OD2-CE2 3.43Å; D447-Y449 VanDerWaalsContact OD2-CZ 3.3Å; D447-Y449 PolarHBondContact OD2-OH 2.94Å
448S94.3Very high91.5Very high5 Ų537.9 Ų37.94%0.03520%0.204CC..EExtended strand (participates in β ladder)trans-123.8143.5-179.4-71.10000111.3V17 F433 I434 H435V17-S448 PolarHBondContact N-O 2.79Å; F433-S448 WeakPolarHBondContact CZ-OG 3.39Å; I434-S448 VanDerWaalsContact O-CA 3.27Å; I434-S448 WeakPolarHBondContact O-CA 3.44Å; H435-S448 PolarHBondContact CD2-OG 2.85Å
449Y93.5Very high90.3Very high10 Ų1037.9 Ų37.94%0.03921%0.208CC..EExtended strand (participates in β ladder)trans-136.5155.2175.4-57.9-101.1000111.6W14 C15 K16 V373 P375 F433 I434 D447W14-Y449 HydrophobicContact CE3-CG 4.49Å; C15-Y449 CarbonylContact O-C 3.53Å; C15-Y449 VanDerWaalsContact O-CA 3.28Å; C15-Y449 WeakPolarHBondContact O-CA 3.11Å; K16-Y449 HydrophobicContact CB-CD1 3.9Å; K16-Y449 HydrophobicContact CB-CE1 3.69Å; K16-Y449 HydrophobicContact CD-CE1 4.1Å; K16-Y449 HydrophobicContact CG-CD1 4.27Å; K16-Y449 HydrophobicContact CG-CE1 3.85Å; V373-Y449 HydrophobicContact CG1-CD1 4.48Å; V373-Y449 HydrophobicContact CG1-CE1 4.1Å; P375-Y449 HydrophobicContact CB-CD2 3.81Å; P375-Y449 HydrophobicContact CB-CE2 3.83Å; P375-Y449 HydrophobicContact CB-CG 4.21Å; P375-Y449 HydrophobicContact CG-CD1 3.99Å; P375-Y449 HydrophobicContact CG-CD2 3.82Å; P375-Y449 HydrophobicContact CG-CE1 4.42Å; P375-Y449 HydrophobicContact CG-CE2 4.25Å; P375-Y449 HydrophobicContact CG-CG 3.72Å; F433-Y449 WeakPolarHBondContact CA-O 3.09Å; I434-Y449 HydrophobicContact CD1-CD2 4.15Å; I434-Y449 HydrophobicContact CG1-CD2 4.19Å; I434-Y449 PolarHBondContact N-O 2.86Å; I434-Y449 PolarHBondContact O-N 3.12Å; D447-Y449 HydrophobicContact CB-CE2 4.06Å; D447-Y449 WeakPolarHBondContact OD1-CE2 3.33Å; D447-Y449 WeakPolarHBondContact OD2-CE2 3.43Å; D447-Y449 VanDerWaalsContact OD2-CZ 3.3Å; D447-Y449 PolarHBondContact OD2-OH 2.94Å
450L91.8Very high89Confident3 Ų339.2 Ų39.22%0.01622%0.215CC..EExtended strand (participates in β ladder)trans-127.6145.8173.8-72.5169.2000110.1L8 C15 V17 F73 F386 L432 F433L8-L450 HydrophobicContact CD1-CD1 4.43Å; L8-L450 HydrophobicContact CD2-CB 3.68Å; L8-L450 HydrophobicContact CD2-CD1 3.75Å; L8-L450 HydrophobicContact CD2-CG 4.36Å; C15-L450 PolarHBondContact N-O 2.89Å; C15-L450 PolarHBondContact O-N 3.12Å; V17-L450 HydrophobicContact CG2-CD1 3.67Å; V17-L450 HydrophobicContact CG2-CG 3.74Å; F73-L450 HydrophobicContact CE1-CD1 3.63Å; F73-L450 HydrophobicContact CZ-CD1 4.19Å; F386-L450 HydrophobicContact CE1-CD2 3.47Å; F386-L450 VanDerWaalsContact CE1-CD2 3.47Å; F386-L450 HydrophobicContact CZ-CD1 4.46Å; F386-L450 HydrophobicContact CZ-CD2 3.59Å; L432-L450 WeakPolarHBondContact O-CA 3.41Å; F433-L450 HydrophobicContact CB-CD2 3.7Å; F433-L450 HydrophobicContact CD2-CD2 3.68Å; F433-L450 HydrophobicContact CD2-CG 4.12Å; F433-L450 HydrophobicContact CG-CD2 4.19Å
451I90.1Very high87.1Confident1 Ų139.4 Ų39.41%0.00522%0.217CC..EExtended strand (participates in β ladder)trans-139.5135.9169.4-174.6161.6000110W14 M354 Y369 Y431 L432 L453W14-I451 HydrophobicContact CD2-CB 3.92Å; W14-I451 HydrophobicContact CD2-CD1 4.08Å; W14-I451 HydrophobicContact CD2-CG2 4.23Å; W14-I451 HydrophobicContact CE3-CB 3.73Å; W14-I451 HydrophobicContact CE3-CG2 3.91Å; W14-I451 HydrophobicContact CG-CB 4.49Å; W14-I451 HydrophobicContact CG-CD1 4.13Å; W14-I451 HydrophobicContact CH2-CB 4.37Å; W14-I451 HydrophobicContact CH2-CG2 3.64Å; W14-I451 HydrophobicContact CZ2-CB 4.49Å; W14-I451 HydrophobicContact CZ2-CD1 4.49Å; W14-I451 HydrophobicContact CZ2-CG2 3.93Å; W14-I451 HydrophobicContact CZ3-CB 3.99Å; W14-I451 HydrophobicContact CZ3-CG2 3.63Å; M354-I451 HydrophobicContact CE-CD1 3.92Å; Y369-I451 HydrophobicContact CD1-CD1 4.17Å; Y369-I451 HydrophobicContact CE1-CD1 4.07Å; Y431-I451 WeakPolarHBondContact CA-O 3.39Å; L432-I451 HydrophobicContact CB-CG2 3.8Å; L432-I451 HydrophobicContact CD2-CG2 4.25Å; L432-I451 HydrophobicContact CG-CG2 4.42Å; L432-I451 PolarHBondContact N-O 2.85Å; L432-I451 PolarHBondContact O-N 2.67Å; I451-L453 HydrophobicContact CG2-CD2 3.95Å; I451-L453 PolarHBondContact O-N 2.95Å
452L88.3Confident85.2Confident5 Ų534.5 Ų34.53%0.02620%0.196CC..EExtended strand (participates in β ladder)trans-75.8117172.717863.2000109.1R11 Q429 Y431 S454R11-L452 HydrophobicContact CG-CD2 3.71Å; R11-L452 HydrophobicContact CG-CG 4.17Å; Q429-L452 HydrophobicContact CB-CD1 3.66Å; Q429-L452 HydrophobicContact CG-CD1 3.93Å; Y431-L452 HydrophobicContact CD1-CB 4.23Å; Y431-L452 HydrophobicContact CD1-CD1 4.36Å; Y431-L452 HydrophobicContact CE1-CB 3.77Å; Y431-L452 HydrophobicContact CE1-CD1 3.86Å; Y431-L452 HydrophobicContact CE1-CG 4.39Å; Y431-L452 HydrophobicContact CE2-CD1 4.12Å; L452-S454 VanDerWaalsContact CD1-O 3.22Å; L452-S454 WeakPolarHBondContact CD1-O 3.44Å
453L87.9Confident83.2Confident30 Ų3033.2 Ų33.216%0.15718%0.179CC..EExtended strand (participates in β ladder)trans-89.3-46-178.4-61.7-173.8000112.2T325 L327 L340 T385 E430 L432 I451T325-L453 HydrophobicContact CG2-CD1 3.71Å; L327-L453 HydrophobicContact CD1-CB 4.09Å; L327-L453 HydrophobicContact CD2-CD1 3.95Å; L340-L453 HydrophobicContact CD1-CB 4.42Å; L340-L453 HydrophobicContact CD1-CD1 3.79Å; L340-L453 HydrophobicContact CD1-CD2 3.89Å; L340-L453 HydrophobicContact CD1-CG 4.26Å; T385-L453 HydrophobicContact CG2-CD1 4.21Å; E430-L453 WeakPolarHBondContact O-CB 3.47Å; E430-L453 PolarHBondContact O-N 2.82Å; L432-L453 HydrophobicContact CB-CD1 3.92Å; L432-L453 HydrophobicContact CB-CD2 4.04Å; L432-L453 HydrophobicContact CB-CG 4.03Å; I451-L453 HydrophobicContact CG2-CD2 3.95Å; I451-L453 PolarHBondContact O-N 2.95Å
454S84.6Confident80.8Confident11 Ų1130 Ų308%0.07716%0.16CC..EExtended strand (participates in β ladder)trans-148.4158.2-175.680.70000110.5Q429 E430 L452 Y456Q429-S454 WeakPolarHBondContact CA-O 3.21Å; E430-S454 WeakPolarHBondContact CB-OG 3.42Å; E430-S454 VanDerWaalsContact CD-OG 3.25Å; E430-S454 WeakPolarHBondContact CG-OG 3.24Å; E430-S454 PolarHBondContact N-O 3.13Å; E430-S454 PolarHBondContact O-N 2.93Å; E430-S454 PolarHBondContact OE2-OG 3.14Å; L452-S454 VanDerWaalsContact CD1-O 3.22Å; L452-S454 WeakPolarHBondContact CD1-O 3.44Å; S454-Y456 WeakPolarHBondContact OG-CE2 3.44Å; S454-Y456 PolarHBondContact OG-OH 3.02Å
455E84Confident78.3Confident33 Ų3332.7 Ų32.715%0.15417%0.172CC..EExtended strand (participates in β ladder)trans-146.8134.1174.1171.5-17486.600109.6R11 K392 Y427 C428 Q429R11-E455 PolarHBondContact NH2-O 2.87Å; K392-E455 WeakPolarHBondContact CE-OE2 3.23Å; K392-E455 IonicContact NZ-OE1 2.75Å; K392-E455 PolarHBondContact NZ-OE1 2.92Å; K392-E455 IonicContact NZ-OE2 2.66Å; K392-E455 PolarHBondContact NZ-OE2 3.31Å; Y427-E455 HydrophobicContact CD1-CG 3.76Å; Y427-E455 HydrophobicContact CG-CG 4.19Å; C428-E455 CarbonylContact O-C 3.54Å; C428-E455 WeakPolarHBondContact O-CA 3.36Å; Q429-E455 HydrophobicContact CG-CB 4.06Å; Q429-E455 HydrophobicContact CG-CG 3.88Å; Q429-E455 PolarHBondContact NE2-OE2 3.11Å
456Y81.4Confident75.9Confident36 Ų3632.5 Ų32.514%0.14117%0.172CC..EExtended strand (participates in β ladder)trans-127.9129.6-176.4-52.8-81.2000109.9Y427 C428 E430 S454Y427-Y456 CarbonylContact C-O 3.57Å; Y427-Y456 WeakPolarHBondContact CA-O 3.35Å; C428-Y456 PolarHBondContact N-O 2.98Å; C428-Y456 PolarHBondContact O-N 2.92Å; E430-Y456 HydrophobicContact CG-CE2 4.33Å; S454-Y456 WeakPolarHBondContact OG-CE2 3.44Å; S454-Y456 PolarHBondContact OG-OH 3.02Å
457Q80.8Confident73.6Confident64 Ų6429.8 Ų29.830%0.29916%0.158SC..EExtended strand (participates in β ladder)trans-75.2128.6174.2-166.1177.34.900110.2E424 Y427 S459 N460 N463E424-Q457 PolarHBondContact O-NE2 2.95Å; Y427-Q457 HydrophobicContact CD1-CB 3.86Å; Y427-Q457 HydrophobicContact CD1-CG 4.18Å; Y427-Q457 HydrophobicContact CE1-CB 3.62Å; Y427-Q457 HydrophobicContact CE1-CG 3.71Å; Q457-S459 WeakPolarHBondContact CG-OG 3.47Å; Q457-S459 PolarHBondContact NE2-OG 2.82Å; Q457-N460 PolarHBondContact O-N 3.48Å; Q457-N463 PolarHBondContact N-ND2 2.72Å; Q457-N463 WeakPolarHBondContact O-CB 3.28Å; Q457-N463 PolarHBondContact O-ND2 2.87Å
458L75.9Confident71Confident3 Ų330.3 Ų30.32%0.01616%0.16CC..THydrogen-bonded Turntrans-74.2-28.6-175.3-68.1-175.4000113.5I389 Y421 Q426 C428 N460 V464 I467I389-L458 HydrophobicContact CD1-CD1 4.2Å; I389-L458 HydrophobicContact CD1-CD2 4.48Å; I389-L458 HydrophobicContact CG2-CD1 3.73Å; Y421-L458 HydrophobicContact CD1-CB 3.87Å; Y421-L458 HydrophobicContact CD1-CD1 4.2Å; Y421-L458 HydrophobicContact CE1-CB 4.14Å; Y421-L458 HydrophobicContact CE1-CD1 3.76Å; Y421-L458 HydrophobicContact CE1-CG 4.47Å; Y421-L458 HydrophobicContact CG-CB 4.47Å; Q426-L458 HydrophobicContact CB-CB 4.26Å; Q426-L458 HydrophobicContact CB-CD1 3.98Å; Q426-L458 HydrophobicContact CB-CG 4.4Å; Q426-L458 PolarHBondContact O-N 2.86Å; C428-L458 HydrophobicContact CB-CD2 3.94Å; L458-N460 PolarHBondContact O-N 2.86Å; L458-V464 WeakPolarHBondContact O-CG2 3.09Å; L458-I467 HydrophobicContact CD2-CD1 3.5Å
459S72.7Confident68.5Low38 Ų3832.6 Ų32.627%0.26617%0.172SC..THydrogen-bonded Turntrans-66.3-14.1174.361.30000113.1Q457 P461Q457-S459 WeakPolarHBondContact CG-OG 3.47Å; Q457-S459 PolarHBondContact NE2-OG 2.82Å; S459-P461 WeakPolarHBondContact O-CD 3.24Å
460N69.4Low66.1Low57 Ų5734.6 Ų34.631%0.30518%0.181SC..SBendtrans-80.3111.9172.6-175.2-14.5000109.5Q457 L458 L462 N463 V464Q457-N460 PolarHBondContact O-N 3.48Å; L458-N460 PolarHBondContact O-N 2.86Å; N460-L462 PolarHBondContact O-N 2.91Å; N460-L462 WeakPolarHBondContact OD1-CB 3.43Å; N460-L462 PolarHBondContact OD1-N 2.85Å; N460-L462 VanDerWaalsContact OD1-N 3.09Å; N460-N463 HydrophobicContact CB-CB 4.48Å; N460-N463 WeakPolarHBondContact O-CB 3.17Å; N460-N463 PolarHBondContact O-N 2.83Å; N460-V464 PolarHBondContact O-N 2.97Å
461P57.4Low63.6Low71 Ų7135.7 Ų35.746%0.46119%0.19SC..Hα-helixtrans-59.6-23.1-176.522.6-32.8000113.5T418 S459 N463T418-P461 HydrophobicContact CG2-CB 3.81Å; S459-P461 WeakPolarHBondContact O-CD 3.24Å; P461-N463 VanDerWaalsContact C-N 3.33Å
462L57.8Low60.9Low59 Ų5937.6 Ų37.631%0.30920%0.203SC..Hα-helixtrans-66.6-34175-63.2165.8000112.6Y332 N460 T466Y332-L462 HydrophobicContact CE1-CD2 3.95Å; Y332-L462 VanDerWaalsContact OH-CD1 3.26Å; Y332-L462 WeakPolarHBondContact OH-CD1 3.21Å; N460-L462 PolarHBondContact O-N 2.91Å; N460-L462 WeakPolarHBondContact OD1-CB 3.43Å; N460-L462 PolarHBondContact OD1-N 2.85Å; N460-L462 VanDerWaalsContact OD1-N 3.09Å; L462-T466 PolarHBondContact O-OG1 3.07Å
463N54.4Low58.6Low15 Ų1537.7 Ų37.78%0.0820%0.204CC..Hα-helixtrans-77.8-36.9-179.1-67.7-23.8000111.4Q457 N460 P461 Q465 T466 I467Q457-N463 PolarHBondContact N-ND2 2.72Å; Q457-N463 WeakPolarHBondContact O-CB 3.28Å; Q457-N463 PolarHBondContact O-ND2 2.87Å; N460-N463 HydrophobicContact CB-CB 4.48Å; N460-N463 WeakPolarHBondContact O-CB 3.17Å; N460-N463 PolarHBondContact O-N 2.83Å; P461-N463 VanDerWaalsContact C-N 3.33Å; N463-Q465 PolarHBondContact O-N 3.31Å; N463-T466 PolarHBondContact O-N 3.01Å; N463-T466 VanDerWaalsContact O-N 3.17Å; N463-I467 WeakPolarHBondContact O-CG1 3.48Å; N463-I467 PolarHBondContact O-N 2.88Å; N463-I467 VanDerWaalsContact O-N 3.12Å
464V48.3Very low56.2Low9 Ų940.8 Ų40.86%0.05522%0.218CC..Hα-helixtrans-60.4-44.4-177.7177.10000111.5Y421 L458 N460 T466 I467 I468Y421-V464 HydrophobicContact CD2-CG1 4.37Å; Y421-V464 HydrophobicContact CD2-CG2 4.03Å; Y421-V464 HydrophobicContact CE2-CG1 3.9Å; Y421-V464 HydrophobicContact CE2-CG2 4.12Å; L458-V464 WeakPolarHBondContact O-CG2 3.09Å; N460-V464 PolarHBondContact O-N 2.97Å; V464-T466 VanDerWaalsContact C-N 3.29Å; V464-T466 PolarHBondContact O-N 3.07Å; V464-I467 PolarHBondContact O-N 3.26Å; V464-I468 HydrophobicContact CG1-CD1 3.41Å; V464-I468 VanDerWaalsContact CG1-CD1 3.41Å; V464-I468 HydrophobicContact CG1-CG1 4.17Å; V464-I468 WeakPolarHBondContact O-CB 3.43Å; V464-I468 WeakPolarHBondContact O-CD1 3.48Å; V464-I468 WeakPolarHBondContact O-CG1 3.35Å; V464-I468 PolarHBondContact O-N 3.26Å
465Q45Very low53.5Low114 Ų11441.2 Ų41.253%0.53322%0.224SC..Hα-helixtrans-60.4-37.6177-73.8-175-14.800112.9N463 L469N463-Q465 PolarHBondContact O-N 3.31Å; Q465-L469 VanDerWaalsContact O-CD1 3.31Å; Q465-L469 WeakPolarHBondContact O-CD1 3.45Å; Q465-L469 VanDerWaalsContact O-CG 3.31Å; Q465-L469 WeakPolarHBondContact O-CG 2.99Å; Q465-L469 PolarHBondContact O-N 2.75Å
466T45.8Very low50.6Low21 Ų2147.1 Ų47.113%0.12925%0.249CC..Hα-helixtrans-71.1-41-178.7-57.70000111.3L462 N463 V464 Q470L462-T466 PolarHBondContact O-OG1 3.07Å; N463-T466 PolarHBondContact O-N 3.01Å; N463-T466 VanDerWaalsContact O-N 3.17Å; V464-T466 VanDerWaalsContact C-N 3.29Å; V464-T466 PolarHBondContact O-N 3.07Å; T466-Q470 PolarHBondContact O-N 2.86Å
467I47.5Very low48.1Very low24 Ų2449.9 Ų49.912%0.12327%0.273CS..Hα-helixtrans-72.1-39.8-179.5-63.7160.3000111.6C428 L458 N463 V464 L469 Q470 S471C428-I467 HydrophobicContact CB-CD1 3.39Å; C428-I467 HydrophobicContact CB-CG1 4.24Å; L458-I467 HydrophobicContact CD2-CD1 3.5Å; N463-I467 WeakPolarHBondContact O-CG1 3.48Å; N463-I467 PolarHBondContact O-N 2.88Å; N463-I467 VanDerWaalsContact O-N 3.12Å; V464-I467 PolarHBondContact O-N 3.26Å; I467-L469 VanDerWaalsContact C-N 3.35Å; I467-L469 PolarHBondContact O-N 3.36Å; I467-Q470 PolarHBondContact O-N 3.1Å; I467-S471 PolarHBondContact O-N 3.19Å; I467-S471 PolarHBondContact O-OG 3.14Å
468I41Very low46.5Very low27 Ų2749.2 Ų49.214%0.13827%0.271CS..Hα-helixtrans-62.4-44.5179.1-68.5167.8000110.5Y411 V416 V464 Q470 S471 S472Y411-I468 HydrophobicContact CD1-CD1 4.08Å; Y411-I468 HydrophobicContact CD1-CG1 4.12Å; Y411-I468 HydrophobicContact CD1-CG2 4.02Å; Y411-I468 HydrophobicContact CE1-CB 4.5Å; Y411-I468 HydrophobicContact CE1-CD1 3.53Å; Y411-I468 HydrophobicContact CE1-CG1 3.49Å; Y411-I468 VanDerWaalsContact CE1-CG1 3.49Å; Y411-I468 HydrophobicContact CE1-CG2 4.25Å; Y411-I468 HydrophobicContact CE2-CG1 4.5Å; Y411-I468 HydrophobicContact CG-CG2 4.25Å; V416-I468 HydrophobicContact CB-CD1 4.08Å; V416-I468 HydrophobicContact CG1-CD1 4.32Å; V416-I468 HydrophobicContact CG2-CD1 3.58Å; V464-I468 HydrophobicContact CG1-CD1 3.41Å; V464-I468 VanDerWaalsContact CG1-CD1 3.41Å; V464-I468 HydrophobicContact CG1-CG1 4.17Å; V464-I468 WeakPolarHBondContact O-CB 3.43Å; V464-I468 WeakPolarHBondContact O-CD1 3.48Å; V464-I468 WeakPolarHBondContact O-CG1 3.35Å; V464-I468 PolarHBondContact O-N 3.26Å; I468-Q470 VanDerWaalsContact C-N 3.34Å; I468-Q470 PolarHBondContact O-N 3.4Å; I468-S471 WeakPolarHBondContact CA-OG 3.17Å; I468-S471 PolarHBondContact O-N 3.23Å; I468-S471 VanDerWaalsContact O-N 3.16Å; I468-S471 PolarHBondContact O-OG 3.06Å; I468-S472 WeakPolarHBondContact O-CB 3.36Å; I468-S472 PolarHBondContact O-N 3.4Å; I468-S472 PolarHBondContact O-OG 3.04Å
469L40.3Very low44.9Very low54 Ų5451.6 Ų51.628%0.28329%0.285SS..Hα-helixtrans-61.4-42.3178-72.1164.1000111.5Y228 Q465 I467 S472 S473Y228-L469 HydrophobicContact CE2-CD1 4.3Å; Y228-L469 WeakPolarHBondContact O-CD1 2.95Å; Q465-L469 VanDerWaalsContact O-CD1 3.31Å; Q465-L469 WeakPolarHBondContact O-CD1 3.45Å; Q465-L469 VanDerWaalsContact O-CG 3.31Å; Q465-L469 WeakPolarHBondContact O-CG 2.99Å; Q465-L469 PolarHBondContact O-N 2.75Å; I467-L469 VanDerWaalsContact C-N 3.35Å; I467-L469 PolarHBondContact O-N 3.36Å; L469-S472 WeakPolarHBondContact CA-OG 3.24Å; L469-S472 PolarHBondContact O-N 2.88Å; L469-S472 PolarHBondContact O-OG 3.24Å; L469-S473 PolarHBondContact O-N 2.87Å; L469-S473 PolarHBondContact O-OG 3.17Å
470Q43Very low43.4Very low51 Ų5152.4 Ų52.424%0.23829%0.286CS..Hα-helixtrans-64-39.6173.2-74.5-179.1-13.200113.1T466 I467 I468 S473 H474T466-Q470 PolarHBondContact O-N 2.86Å; I467-Q470 PolarHBondContact O-N 3.1Å; I468-Q470 VanDerWaalsContact C-N 3.34Å; I468-Q470 PolarHBondContact O-N 3.4Å; Q470-S473 VanDerWaalsContact C-OG 3.31Å; Q470-S473 VanDerWaalsContact CA-OG 3.28Å; Q470-S473 WeakPolarHBondContact CA-OG 3.22Å; Q470-S473 CarbonylContact O-C 3.32Å; Q470-S473 PolarHBondContact O-N 3.04Å; Q470-S473 PolarHBondContact O-OG 2.93Å; Q470-H474 PolarHBondContact O-N 3.29Å; Q470-H474 VanDerWaalsContact O-N 3.13Å
471S39.4Very low41.9Very low27 Ų2752.1 Ų52.119%0.18929%0.285CS..Hα-helixtrans-68.4-38.1176.869.60000112.1I467 I468 S473 H474 G475I467-S471 PolarHBondContact O-N 3.19Å; I467-S471 PolarHBondContact O-OG 3.14Å; I468-S471 WeakPolarHBondContact CA-OG 3.17Å; I468-S471 PolarHBondContact O-N 3.23Å; I468-S471 VanDerWaalsContact O-N 3.16Å; I468-S471 PolarHBondContact O-OG 3.06Å; S471-S473 VanDerWaalsContact C-N 3.29Å; S471-S473 PolarHBondContact O-N 2.94Å; S471-H474 CarbonylContact O-C 3.58Å; S471-H474 VanDerWaalsContact O-C 3.32Å; S471-H474 WeakPolarHBondContact O-CA 3.39Å; S471-H474 PolarHBondContact O-N 3.46Å; S471-G475 PolarHBondContact O-N 2.91Å
472S34.5Very low40.9Very low40 Ų4050.9 Ų50.928%0.2827%0.274SS..Hα-helixtrans-67.4-28.517571.60000112.8I468 L469 H474I468-S472 WeakPolarHBondContact O-CB 3.36Å; I468-S472 PolarHBondContact O-N 3.4Å; I468-S472 PolarHBondContact O-OG 3.04Å; L469-S472 WeakPolarHBondContact CA-OG 3.24Å; L469-S472 PolarHBondContact O-N 2.88Å; L469-S472 PolarHBondContact O-OG 3.24Å; S472-H474 VanDerWaalsContact C-N 3.33Å
473S39.1Very low39.8Very low8 Ų850.4 Ų50.46%0.05627%0.271CS..THydrogen-bonded Turntrans-82.7-2.4168.958.70000114.4N100 L469 Q470 S471N100-S473 PolarHBondContact OD1-O 3.16Å; L469-S473 PolarHBondContact O-N 2.87Å; L469-S473 PolarHBondContact O-OG 3.17Å; Q470-S473 VanDerWaalsContact C-OG 3.31Å; Q470-S473 VanDerWaalsContact CA-OG 3.28Å; Q470-S473 WeakPolarHBondContact CA-OG 3.22Å; Q470-S473 CarbonylContact O-C 3.32Å; Q470-S473 PolarHBondContact O-N 3.04Å; Q470-S473 PolarHBondContact O-OG 2.93Å; S471-S473 VanDerWaalsContact C-N 3.29Å; S471-S473 PolarHBondContact O-N 2.94Å
474H37.5Very low38.7Very low95 Ų9552.9 Ų52.944%0.4429%0.285SS..THydrogen-bonded Turntrans-120.728.4173.3-77.91.9000111.7Q470 S471 S472Q470-H474 PolarHBondContact O-N 3.29Å; Q470-H474 VanDerWaalsContact O-N 3.13Å; S471-H474 CarbonylContact O-C 3.58Å; S471-H474 VanDerWaalsContact O-C 3.32Å; S471-H474 WeakPolarHBondContact O-CA 3.39Å; S471-H474 PolarHBondContact O-N 3.46Å; S472-H474 VanDerWaalsContact C-N 3.33Å
475G28.6Very low38Very low20 Ų2056.3 Ų56.321%0.20630%0.303CS..  trans125115.6-179.200000110.8N100 S471 C477N100-G475 WeakPolarHBondContact O-CA 3.31Å; S471-G475 PolarHBondContact O-N 2.91Å; G475-C477 VanDerWaalsContact C-N 3.28Å; G475-C477 PolarHBondContact O-N 3.26Å
476K23.4Very low37.4Very low156 Ų15651.5 Ų51.568%0.67828%0.284SS*.  trans-61.7102.2150.7-77.7-172.7174.5-173.60107
477C28.7Very low36.6Very low95 Ų9554.3 Ų54.364%0.64230%0.298SS*.  trans65.80156.6-59.10000117.8N409 G475N409-C477 PolarHBondContact O-SG 3.05Å; G475-C477 VanDerWaalsContact C-N 3.28Å; G475-C477 PolarHBondContact O-N 3.26Å

Retrieved 477 of 477 residues in 726.2 ms (Link to these results)

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